Comparison of PREDITOR
predictions with PDB-derived angles for Carbonic Anhydrase I (Human) .
Chemical shifts were obtained from 4022,
Reference structure is 1HCB.
PDB Homologue: 2CAB; BLAST E value= 0; %Seq Identity= 95.14
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
6 G -162.72* 41.00 -154.09 -149.52* 41.00 -147.02 NONE 0.00 NONE 180.00 179.88
7 Y -122.31* 41.00 -129.18 -8.37* 41.00 11.34 -60.00* 0.85 -73.80 180.00 179.61
12 G -70.03* 31.00 -74.88 -178.41* 31.00 -172.09 NONE 0.00 NONE 180.00 -173.36
13 P -50.45* 31.00 -52.36 -42.46* 31.00 -39.63 -26.77* 0.85 -29.96 180.00 178.10
14 E -70.63* 21.00 -68.52 -5.54* 21.00 -13.79 -60.00* 0.85 -58.09 180.00 178.70
15 Q -116.32* 21.00 -103.98 -5.72* 21.00 -17.60 -60.00* 0.85 -51.03 180.00 -171.65
16 W -63.73* 21.00 -59.25 -31.73* 21.00 -24.21 -60.00* 0.85 -61.93 180.00 -178.63
17 S -63.08* 21.00 -65.32 -26.10* 21.00 -41.86 60.00* 0.85 68.70 180.00 174.82
22 I -61.48* 31.00 -65.65 -13.66* 31.00 -10.99 180.00* 0.85 -156.79 180.00 172.50
23 A -53.41* 31.00 -55.55 -32.00* 31.00 -31.80 NONE 0.00 NONE 180.00 175.63
24 N -97.12* 31.00 -100.68 13.28* 31.00 26.23 -60.00* 0.85 -55.36 180.00 177.07
25 G -62.09* 31.00 -69.69 175.56* 31.00 179.53 NONE 0.00 NONE 180.00 -176.91
26 N -93.30* 31.00 -91.60 -1.77* 31.00 -4.34 -60.00* 0.85 -63.81 180.00 -177.09
27 N -136.74* 31.00 -131.86 46.58* 31.00 45.02 -60.00* 0.85 -53.19 180.00 -175.56
28 Q -83.50* 21.00 -85.08 150.02* 21.00 150.38 -60.00* 0.85 -71.47 180.00 176.57
29 S -122.60* 21.00 -126.62 155.83* 21.00 160.93 -60.00* 0.85 -59.05 0.00 -1.89
30 P -78.36* 11.00 -80.44 -178.53* 11.00 172.60 38.65* 0.85 37.95 180.00 178.85
31 V -141.33* 11.00 -132.33 160.43* 11.00 164.63 -60.00* 0.85 -58.32 180.00 171.83
32 D -87.99* 21.00 -89.27 125.64* 21.00 133.52 180.00* 0.85 174.42 180.00 174.52
33 I -92.68* 11.00 -97.87 107.58* 11.00 114.58 -60.00* 0.85 -58.76 180.00 -177.58
34 K -87.30* 11.00 -94.91 100.71* 11.00 108.90 -60.00* 0.85 -68.15 180.00 -175.92
35 T -52.80* 5.50 -62.58 -21.39* 5.50 -28.58 60.00* 0.85 64.72 180.00 174.80
37 E -105.54* 21.00 -114.22 1.61* 21.00 10.99 -60.00* 0.85 -55.03 180.00 178.56
38 T -67.48* 21.00 -74.78 141.93* 21.00 154.93 60.00* 0.85 54.88 180.00 179.43
39 K -103.07* 31.00 -114.04 124.78* 31.00 121.94 180.00* 0.85 164.81 180.00 169.57
40 H -82.04* 31.00 -65.16 116.02* 31.00 119.99 180.00* 0.85 -175.76 180.00 178.07
41 D -98.48* 31.00 -117.53 116.57* 31.00 120.38 180.00* 0.85 167.61 180.00 -172.29
42 T -80.14* 31.00 -77.25 -5.42* 31.00 -8.59 60.00* 0.85 58.70 180.00 175.69
43 S -87.49* 31.00 -79.89 -18.19* 31.00 -18.23 60.00* 0.85 83.19 180.00 -179.92
44 L -63.65* 31.00 -62.76 143.36* 31.00 131.62 -60.00* 0.85 -71.97 180.00 171.56
45 K -112.69* 21.00 -93.80 160.69* 21.00 161.63 -60.00* 0.85 -61.99 180.00 172.59
46 P -61.22* 21.00 -61.46 144.96* 21.00 143.53 0.45* 0.85 -9.20 180.00 168.60
47 I -79.47* 21.00 -70.49 138.68* 21.00 146.41 60.00* 0.85 69.33 180.00 178.62
48 S -117.88* 21.00 -129.85 114.23* 21.00 119.31 180.00* 0.85 165.53 180.00 172.96
49 V -109.42* 11.00 -110.66 136.13* 11.00 145.28 -60.00* 0.85 -60.74 180.00 175.86
50 S -143.28* 11.00 -139.44 98.78* 11.00 97.14 180.00* 0.85 -165.06 180.00 -175.67
51 Y -113.17* 11.00 -112.20 146.36* 11.00 140.17 -60.00* 0.85 -57.74 180.00 176.84
52 N -102.83* 11.00 -101.68 118.67* 11.00 122.24 180.00* 0.85 -177.08 180.00 -179.18
53 P -56.78* 15.50 -60.57 -29.08* 15.50 -29.66 -11.84* 0.85 -9.73 180.00 177.17
54 A -68.30* 21.00 -63.39 -6.33* 21.00 -9.27 NONE 0.00 NONE 180.00 177.11
55 T -90.01* 21.00 -86.56 -4.04* 21.00 -7.63 60.00* 0.85 64.00 180.00 177.43
56 A -67.37* 21.00 -62.53 130.39* 21.00 132.02 NONE 0.00 NONE 180.00 -172.81
57 K -123.58* 5.50 -120.34 -58.46* 5.50 -61.83 60.00* 0.85 -166.02 180.00 -173.04
58 E -143.55* 11.00 -156.54 162.05* 11.00 161.15 60.00* 0.85 58.56 180.00 177.14
59 I -116.99* 11.00 -121.29 134.56* 11.00 130.91 180.00* 0.85 -174.03 180.00 -177.92
60 I -141.99* 21.00 -138.71 142.13* 21.00 140.64 180.00* 0.85 178.33 180.00 175.35
61 N -88.68* 21.00 -89.18 111.31* 21.00 114.21 180.00* 0.85 -178.05 180.00 177.85
62 V -98.07* 31.00 -99.75 12.88* 31.00 15.65 -60.00* 0.85 -61.39 180.00 169.65
63 G 91.46* 31.00 94.07 -61.54* 31.00 -63.41 NONE 0.00 NONE 180.00 176.96
64 H -88.85* 21.00 -89.23 -14.65* 21.00 -9.67 60.00* 0.85 59.49 180.00 -175.43
65 S -166.00* 11.00 -168.43 -170.84* 11.00 -175.26 180.00* 0.85 -160.72 180.00 171.39
66 F -130.36* 11.00 -128.61 142.73* 11.00 147.04 60.00* 0.85 67.90 180.00 178.11
67 H -120.20* 11.00 -123.86 146.00* 11.00 140.91 -60.00* 0.85 -63.32 180.00 168.67
68 V -114.19* 21.00 -105.31 107.55* 21.00 114.51 180.00* 0.85 -178.29 180.00 -175.52
69 N -103.75* 21.00 -105.31 153.22* 21.00 150.94 -60.00* 0.85 -68.44 180.00 -175.64
70 F -124.09* 21.00 -119.83 156.11* 21.00 143.58 -60.00* 0.85 -70.26 180.00 168.51
71 E -67.29* 31.00 -59.26 129.53* 31.00 129.34 -60.00* 0.85 -75.00 180.00 -174.65
72 D -134.22* 31.00 -130.05 47.19* 31.00 37.93 60.00* 0.85 63.26 180.00 -178.31
74 D -98.56* 21.00 -82.97 33.33* 21.00 -17.82 -60.00* 0.85 55.13 180.00 177.65
76 R -62.58* 5.50 -61.17 -41.91* 5.50 -35.33 -60.00* 0.85 -88.95 180.00 -177.97
77 S -116.56* 11.00 -130.29 115.15* 11.00 114.05 -60.00* 0.85 -51.21 180.00 -177.45
78 V -140.82* 11.00 -138.93 161.88* 11.00 154.66 -60.00* 0.85 -62.14 180.00 167.98
79 L -116.55* 11.00 -104.19 132.45* 11.00 130.33 180.00* 0.85 173.29 180.00 177.32
80 K -141.89* 21.00 -135.93 173.49* 21.00 165.27 -60.00* 0.85 -75.84 180.00 -179.74
81 G 83.07* 31.00 81.46 -159.52* 31.00 -140.92 NONE 0.00 NONE 180.00 -172.82
82 G 68.45* 31.00 52.11 -139.42* 31.00 -128.57 NONE 0.00 NONE 180.00 178.03
83 P -88.23* 41.00 -82.57 -2.84* 41.00 -5.07 40.56* 0.85 34.07 180.00 -164.15
84 F -82.34* 41.00 -94.97 148.30* 41.00 153.84 -60.00* 0.85 -56.71 180.00 172.52
85 S -111.77* 41.00 -105.65 -9.19* 41.00 -24.74 180.00* 0.85 -70.43 180.00 178.98
86 D -138.59* 41.00 -104.36 168.50* 41.00 160.49 60.00* 0.85 -64.05 180.00 172.73
87 S -83.19* 31.00 -84.03 143.18* 31.00 155.49 -60.00* 0.85 66.46 180.00 176.53
88 Y -118.03* 21.00 -120.00 130.62* 21.00 133.55 -60.00* 0.85 -75.92 180.00 -171.79
89 R -88.11* 21.00 -94.67 126.87* 21.00 121.18 180.00* 0.85 -175.30 180.00 178.16
90 L -63.91* 31.00 -60.22 130.68* 31.00 135.64 180.00* 0.85 172.45 180.00 171.97
91 F -126.91* 31.00 -130.20 -21.23* 31.00 -25.11 60.00* 0.85 71.57 180.00 -171.58
92 Q -173.50* 31.00 -162.63 159.77* 31.00 153.61 180.00* 0.85 178.96 180.00 158.72
93 F -138.23* 21.00 -134.04 147.54* 21.00 151.71 60.00* 0.85 74.80 180.00 175.75
94 H -154.75* 21.00 -156.77 177.04* 21.00 175.83 60.00* 0.85 62.73 180.00 -175.19
95 F -127.74* 21.00 -125.29 168.38* 21.00 161.01 -60.00* 0.85 -61.30 180.00 169.14
96 H -132.96* 21.00 -128.43 140.92* 21.00 143.09 -60.00* 0.85 -64.09 180.00 -179.24
97 W -149.22* 21.00 -147.65 172.75* 21.00 175.93 60.00* 0.85 56.24 180.00 -175.84
98 G -118.40* 11.00 -122.17 -179.72* 11.00 177.29 NONE 0.00 NONE 180.00 -179.75
99 S -71.40* 5.50 -73.58 -25.64* 5.50 -26.39 60.00* 0.85 64.40 180.00 173.47
100 T -108.50* 11.00 -110.09 153.40* 11.00 161.14 60.00* 0.85 72.42 180.00 -179.04
101 N -75.35* 5.50 -75.42 -8.81* 5.50 -14.90 -60.00* 0.85 -62.24 180.00 -171.12
102 E -111.99* 5.50 -94.99 -10.27* 5.50 -24.38 60.00* 0.85 -61.02 180.00 -175.10
103 H -133.03* 21.00 -134.52 93.75* 21.00 99.76 -60.00* 0.85 -65.68 180.00 -174.88
104 G -151.98* 21.00 -154.31 7.68* 21.00 1.53 NONE 0.00 NONE 180.00 176.46
105 S -77.13* 21.00 -72.20 168.75* 21.00 165.84 60.00* 0.85 78.76 180.00 172.33
106 E -94.59* 5.50 -91.94 -56.16* 5.50 -66.09 -60.00* 0.85 -57.80 180.00 170.36
107 H -78.43* 11.00 -69.47 152.16* 11.00 148.93 -60.00* 0.85 -60.21 180.00 169.94
108 T -128.39* 11.00 -116.82 157.70* 11.00 163.29 60.00* 0.85 61.52 180.00 175.70
109 V -127.53* 11.00 -130.82 120.58* 11.00 116.22 180.00* 0.85 -176.36 180.00 -173.19
110 D 52.28* 11.00 50.76 40.34* 11.00 40.13 -60.00* 0.85 -72.49 180.00 176.55
111 G 71.85* 31.00 88.27 3.45* 31.00 0.50 NONE 0.00 NONE 180.00 -176.24
112 V -88.57* 31.00 -99.75 118.00* 31.00 120.91 180.00* 0.85 169.74 180.00 172.35
113 K -94.31* 31.00 -84.89 130.57* 31.00 132.72 180.00* 0.85 -170.59 180.00 175.28
114 Y -92.41* 21.00 -91.22 174.03* 21.00 -171.33 -60.00* 0.85 -74.10 180.00 -171.72
115 S -70.98* 15.50 -78.40 -36.47* 15.50 -36.74 -60.00* 0.85 -57.62 180.00 -173.65
116 A -160.78* 21.00 -169.59 173.12* 21.00 177.57 NONE 0.00 NONE 180.00 -175.93
117 E -141.36* 21.00 -150.80 132.86* 21.00 135.40 180.00* 0.85 -168.50 180.00 177.01
118 L -96.80* 21.00 -100.73 129.51* 21.00 129.55 180.00* 0.85 164.05 180.00 175.16
119 H -119.99* 21.00 -115.22 123.66* 21.00 125.65 -60.00* 0.85 -67.29 180.00 179.96
120 V -113.05* 31.00 -116.36 112.17* 31.00 110.41 180.00* 0.85 -177.45 180.00 -161.39
121 A -114.98* 31.00 -108.83 143.14* 31.00 145.24 NONE 0.00 NONE 180.00 -173.72
122 H -139.11* 21.00 -141.70 154.08* 21.00 153.76 -60.00* 0.85 -52.31 180.00 179.90
123 W -124.58* 11.00 -127.70 155.67* 11.00 158.19 60.00* 0.85 65.43 180.00 -169.71
124 N -75.82* 21.00 -88.98 87.64* 21.00 94.32 180.00* 0.85 -175.08 180.00 173.35
125 S -66.01* 31.00 -72.09 -33.76* 31.00 -21.29 180.00* 0.85 53.99 180.00 178.01
126 A -70.25* 31.00 -66.85 -52.00* 31.00 -42.07 NONE 0.00 NONE 180.00 -176.69
127 K -81.71* 21.00 -97.70 -24.82* 21.00 -26.90 -60.00* 0.85 -59.64 180.00 -170.30
128 Y -131.41* 11.00 -126.95 162.81* 11.00 156.00 -60.00* 0.85 -58.27 180.00 -176.35
131 L -58.09* 5.50 -60.67 -38.96* 5.50 -39.98 180.00* 0.85 178.18 180.00 -176.59
132 A -51.81* 5.50 -59.47 -52.61* 5.50 -38.21 NONE 0.00 NONE 180.00 176.49
133 E -68.11* 5.50 -67.84 -44.90* 5.50 -47.30 -60.00* 0.85 -173.10 180.00 -173.18
134 A -70.63* 5.50 -67.30 -25.15* 5.50 -32.82 NONE 0.00 NONE 180.00 -169.86
135 A -57.76* 5.50 -52.84 -27.81* 5.50 -25.37 NONE 0.00 NONE 180.00 -174.66
136 S -101.34* 5.50 -109.18 -3.27* 5.50 -1.04 60.00* 0.85 68.55 180.00 -178.73
137 K -90.85* 11.00 -91.43 150.69* 11.00 146.67 -60.00* 0.85 -57.38 180.00 -174.67
138 A -57.81* 5.50 -56.07 -37.56* 5.50 -37.08 NONE 0.00 NONE 180.00 174.76
139 D -98.20* 5.50 -98.25 10.89* 5.50 14.82 60.00* 0.85 62.08 180.00 -170.40
140 G -56.38* 5.50 -72.43 -56.54* 5.50 -33.95 NONE 0.00 NONE 180.00 -171.29
141 L -114.78* 11.00 -124.15 149.31* 11.00 148.29 -60.00* 0.85 -51.94 180.00 173.18
142 A -129.44* 11.00 -127.55 123.06* 11.00 123.16 NONE 0.00 NONE 180.00 177.66
143 V -125.48* 11.00 -126.49 129.11* 11.00 132.55 180.00* 0.85 177.36 180.00 174.69
144 I -93.42* 11.00 -92.82 123.63* 11.00 121.79 -60.00* 0.85 -62.32 180.00 173.90
145 G -106.09* 11.00 -105.86 127.21* 11.00 132.73 NONE 0.00 NONE 180.00 178.17
146 V -121.95* 11.00 -125.20 123.13* 11.00 125.09 180.00* 0.85 176.40 180.00 179.33
147 L -77.93* 21.00 -75.78 138.53* 21.00 144.74 -60.00* 0.85 -68.86 180.00 -176.46
148 M -114.99* 11.00 -123.12 128.31* 11.00 125.34 -60.00* 0.85 -62.04 180.00 -177.83
149 K -110.73* 11.00 -109.55 123.91* 11.00 125.93 -60.00* 0.85 -68.81 180.00 178.32
150 V -65.61* 21.00 -60.89 136.74* 21.00 131.49 60.00* 0.85 71.86 180.00 -179.75
151 G 176.65* 31.00 -175.87 -128.60* 31.00 -133.85 NONE 0.00 NONE 180.00 177.58
152 E -62.37* 31.00 -63.02 143.05* 31.00 147.45 -60.00* 0.85 -69.69 180.00 176.30
153 A -61.04* 31.00 -63.70 145.91* 31.00 143.80 NONE 0.00 NONE 180.00 -179.41
154 N -101.92* 31.00 -106.99 108.23* 31.00 111.17 180.00* 0.85 179.14 180.00 -176.67
155 P -70.65* 31.00 -68.53 -18.39* 31.00 -24.84 31.14* 0.85 19.05 180.00 177.89
156 K -69.23* 31.00 -61.47 -11.36* 31.00 -20.22 -60.00* 0.85 -77.49 180.00 174.16
157 L -89.90* 21.00 -79.26 -10.00* 21.00 -8.43 -60.00* 0.85 -67.68 180.00 -168.13
158 Q -50.73* 5.50 -55.52 -48.03* 5.50 -45.97 180.00* 0.85 -163.28 180.00 -176.52
159 K -60.52* 5.50 -58.66 -36.95* 5.50 -35.49 -60.00* 0.85 -79.89 180.00 -176.69
160 V -67.12* 5.50 -73.31 -44.83* 5.50 -46.00 180.00* 0.85 164.47 180.00 172.90
161 L -64.88* 5.50 -55.67 -39.59* 5.50 -48.73 -60.00* 0.85 -63.35 180.00 178.14
162 D -65.09* 5.50 -58.13 -35.35* 5.50 -39.44 -60.00* 0.85 -60.35 180.00 175.61
163 A -68.28* 15.50 -59.76 -26.01* 15.50 -20.78 NONE 0.00 NONE 180.00 -174.60
164 L -61.12* 15.50 -64.35 -24.15* 15.50 -26.28 -60.00* 0.85 -58.36 180.00 -177.25
165 Q -65.89* 15.50 -56.87 -25.53* 15.50 -32.41 -60.00* 0.85 -39.08 180.00 -173.26
166 A -92.88* 5.50 -88.38 -7.23* 5.50 -1.91 NONE 0.00 NONE 180.00 -176.79
167 I -130.43* 11.00 -136.80 47.29* 11.00 43.75 60.00* 0.85 60.87 180.00 -167.93
168 K -60.30* 5.50 -64.85 -37.10* 5.50 -30.02 180.00* 0.85 172.36 180.00 -175.75
169 T -113.63* 11.00 -117.08 160.51* 11.00 157.10 60.00* 0.85 55.85 180.00 178.97
170 K -55.68* 21.00 -53.64 132.66* 21.00 136.99 180.00* 0.85 -163.31 180.00 -179.85
171 G 87.06* 21.00 88.05 -5.84* 21.00 -15.45 NONE 0.00 NONE 180.00 177.93
172 K -79.32* 21.00 -71.04 141.32* 21.00 148.36 -60.00* 0.85 -70.29 180.00 171.47
173 R -130.73* 21.00 -145.86 155.31* 21.00 160.76 -60.00* 0.85 68.08 180.00 -177.19
174 A -150.98* 21.00 -149.40 138.41* 21.00 149.63 NONE 0.00 NONE 180.00 171.10
175 P -55.25* 21.00 -61.21 143.20* 21.00 144.34 -29.47* 0.85 -13.14 180.00 176.61
176 F -145.83* 21.00 -142.94 98.39* 21.00 109.32 180.00* 0.85 -171.80 180.00 -172.02
177 T -119.74* 21.00 -131.05 176.64* 21.00 170.12 60.00* 0.85 77.07 180.00 174.10
178 N 47.80* 21.00 53.32 51.41* 21.00 56.46 -60.00* 0.85 -76.01 180.00 -173.30
179 F -131.33* 21.00 -142.95 134.08* 21.00 133.41 180.00* 0.85 -166.18 180.00 178.86
180 D -109.57* 21.00 -113.24 113.94* 21.00 101.35 180.00* 0.85 -177.49 180.00 179.89
181 P -68.04* 15.50 -62.52 -18.30* 15.50 -14.81 8.80* 0.85 22.92 180.00 172.26
182 S -62.15* 15.50 -58.77 -16.58* 15.50 -17.73 60.00* 0.85 77.06 180.00 178.12
183 T -71.43* 15.50 -64.87 -17.11* 15.50 -25.44 60.00* 0.85 66.23 180.00 176.59
184 L -88.62* 15.50 -82.56 -18.08* 15.50 -16.15 -60.00* 0.85 -60.34 180.00 -176.86
185 L -73.01* 11.00 -79.96 153.67* 11.00 160.83 -60.00* 0.85 -45.63 180.00 175.45
186 P -67.70* 11.00 -66.92 170.66* 11.00 162.05 2.35* 0.85 17.86 180.00 -177.43
187 S -60.59* 5.50 -64.82 -48.00* 5.50 -37.05 180.00* 0.85 28.57 180.00 175.42
188 S -108.96* 11.00 -113.44 145.25* 11.00 144.80 60.00* 0.85 57.84 180.00 -175.32
189 L -115.13* 11.00 -112.05 35.20* 11.00 25.24 -60.00* 0.85 -61.77 180.00 165.92
190 D -68.44* 11.00 -48.76 148.50* 11.00 138.03 -60.00* 0.85 -49.31 180.00 -170.79
191 F -146.95* 11.00 -146.74 167.76* 11.00 161.07 60.00* 0.85 63.45 180.00 164.69
192 W -113.66* 11.00 -108.45 147.63* 11.00 149.87 -60.00* 0.85 -62.32 180.00 177.00
193 T -140.95* 11.00 -138.13 146.56* 11.00 147.83 180.00* 0.85 -178.68 180.00 174.03
194 Y -159.70* 11.00 -159.52 156.21* 11.00 157.22 60.00* 0.85 77.21 180.00 179.55
195 P -81.51* 11.00 -86.92 129.42* 11.00 130.58 35.86* 0.85 28.53 180.00 -173.43
196 G -150.50* 11.00 -156.56 -148.31* 11.00 -146.17 NONE 0.00 NONE 180.00 -165.35
197 S -138.55* 21.00 -138.90 -175.74* 21.00 167.61 60.00* 0.85 79.84 180.00 164.88
198 L -72.27* 21.00 -61.34 150.95* 21.00 150.10 -60.00* 0.85 -63.93 180.00 -174.88
199 T -95.39* 21.00 -95.68 5.78* 21.00 9.82 60.00* 0.85 67.39 180.00 173.71
200 H -153.85* 21.00 -150.24 162.36* 21.00 162.80 60.00* 0.85 63.11 180.00 -179.97
202 P -41.89* 11.00 -44.26 138.69* 11.00 135.24 -23.21* 0.85 -39.21 0.00 9.60
203 L 67.29* 11.00 57.76 23.78* 11.00 26.15 -60.00* 0.85 -63.71 180.00 -179.06
204 Y -54.88* 11.00 -54.81 136.98* 11.00 146.20 -60.00* 0.85 -61.85 180.00 176.32
205 E -96.20* 21.00 -95.16 67.37* 21.00 69.75 -60.00* 0.85 -63.96 180.00 -168.20
206 S -119.77* 21.00 -126.73 13.38* 21.00 5.01 60.00* 0.85 59.31 180.00 -170.82
207 V -113.49* 21.00 -112.31 139.13* 21.00 130.88 180.00* 0.85 179.33 180.00 163.31
208 T -105.33* 21.00 -96.50 107.31* 21.00 111.77 -60.00* 0.85 -54.50 180.00 -178.97
209 W -83.86* 21.00 -82.49 139.99* 21.00 138.64 -60.00* 0.85 -76.44 180.00 170.04
210 I -126.22* 11.00 -121.39 105.29* 11.00 107.91 -60.00* 0.85 -55.24 180.00 178.53
211 I -107.28* 11.00 -104.35 122.62* 11.00 117.99 -60.00* 0.85 -44.73 180.00 176.93
212 C -72.23* 11.00 -67.67 137.70* 11.00 136.28 -60.00* 0.85 -69.56 180.00 172.44
213 K -66.24* 21.00 -61.34 -40.26* 21.00 -42.23 180.00* 0.85 -170.17 180.00 -175.94
214 E -86.22* 21.00 -87.22 134.24* 21.00 136.76 180.00* 0.85 -46.85 180.00 177.70
215 S -97.86* 21.00 -90.75 171.17* 21.00 171.27 60.00* 0.85 81.60 180.00 173.86
216 I -121.46* 11.00 -123.14 160.20* 11.00 157.34 60.00* 0.85 63.70 180.00 -176.65
217 S -97.50* 11.00 -90.08 169.03* 11.00 171.60 60.00* 0.85 72.49 180.00 176.90
218 V -157.44* 11.00 -164.88 147.81* 11.00 145.05 60.00* 0.85 59.27 180.00 176.34
219 S -100.39* 11.00 -93.48 169.47* 11.00 164.10 60.00* 0.85 77.76 180.00 168.55
221 E -72.27* 5.50 -59.64 -22.59* 5.50 -36.78 -60.00* 0.85 -69.38 180.00 179.17
222 Q -71.05* 5.50 -62.99 -42.49* 5.50 -46.41 -60.00* 0.85 -64.89 180.00 174.46
223 L -70.70* 5.50 -58.58 -31.92* 5.50 -41.92 -60.00* 0.85 -63.68 180.00 -178.25
224 A -63.34* 5.50 -62.35 -28.52* 5.50 -30.63 NONE 0.00 NONE 180.00 175.35
225 Q -65.68* 5.50 -65.09 -37.82* 5.50 -38.39 -60.00* 0.85 -78.95 180.00 173.63
226 F -67.84* 21.00 -59.95 -42.09* 21.00 -44.27 -60.00* 0.85 -63.49 180.00 -170.86
227 R -71.35* 31.00 -73.52 -10.27* 31.00 -9.91 -60.00* 0.85 -144.70 180.00 177.74
228 S -82.86* 31.00 -84.84 -15.16* 31.00 -16.96 -60.00* 0.85 -71.50 180.00 177.11
229 L -65.74* 31.00 -61.45 150.07* 31.00 158.64 -60.00* 0.85 -75.74 180.00 -177.33
230 L -105.80* 31.00 -110.59 139.80* 31.00 138.31 -60.00* 0.85 -59.21 180.00 175.22
231 S -88.54* 31.00 -77.56 -15.22* 31.00 -24.97 180.00* 0.85 -81.67 180.00 -176.91
232 N -88.54* 21.00 -81.88 165.84* 21.00 164.68 60.00* 0.85 56.48 180.00 173.77
233 V -86.39* 21.00 -83.10 155.49* 21.00 155.14 -60.00* 0.85 -35.94 180.00 -177.63
234 E -42.97* 21.00 -54.22 134.00* 21.00 139.69 180.00* 0.85 -164.46 180.00 175.25
235 G 96.58* 31.00 102.89 -30.92* 31.00 -32.04 NONE 0.00 NONE 180.00 177.43
236 D -81.92* 41.00 -74.49 172.62* 41.00 168.77 -60.00* 0.85 -69.87 180.00 170.43
237 N -64.99* 41.00 -62.68 149.69* 41.00 144.83 60.00* 0.85 62.57 180.00 -179.26
238 A -70.93* 31.00 -70.44 127.71* 31.00 130.04 NONE 0.00 NONE 180.00 177.63
239 V -136.78* 21.00 -136.93 100.62* 21.00 100.48 180.00* 0.85 175.38 180.00 -173.55
240 P -68.29* 21.00 -62.09 146.15* 21.00 147.64 -13.32* 0.85 -3.69 180.00 174.77
241 M -82.03* 11.00 -83.76 74.56* 11.00 79.96 180.00* 0.85 -128.45 180.00 -168.98
242 Q -65.17* 5.50 -75.84 -37.73* 5.50 -36.47 180.00* 0.85 178.01 180.00 176.84
243 H -164.33* 11.00 -162.47 161.81* 11.00 157.83 60.00* 0.85 54.22 180.00 -177.43
244 N -158.98* 11.00 -153.87 37.04* 11.00 33.48 60.00* 0.85 52.17 180.00 176.00
245 N -107.68* 11.00 -106.36 136.78* 11.00 136.86 60.00* 0.85 65.10 180.00 170.41
246 R -94.76* 11.00 -82.85 141.47* 11.00 142.70 180.00* 0.85 -170.76 180.00 171.16
247 P -59.19* 11.00 -57.60 153.91* 11.00 151.62 -12.45* 0.85 -27.09 180.00 175.55
248 T -66.89* 21.00 -62.98 145.13* 21.00 152.48 60.00* 0.85 57.06 180.00 -171.96
249 Q -113.85* 11.00 -116.78 152.80* 11.00 150.47 -60.00* 0.85 -53.49 180.00 177.55
250 P -52.87* 21.00 -55.39 134.62* 21.00 135.42 1.82* 0.85 -6.81 180.00 176.01
251 L -61.00* 31.00 -63.73 -36.18* 31.00 -35.92 180.00* 0.85 -154.30 180.00 174.61
253 G 71.58* 41.00 98.22 22.81* 41.00 -10.14 NONE 0.00 NONE 180.00 179.70
254 R -81.62* 41.00 -65.40 159.24* 41.00 156.04 -60.00* 0.85 -82.96 180.00 175.54
255 T -114.14* 41.00 -111.82 130.55* 41.00 127.22 -60.00* 0.85 -60.90 180.00 170.24
256 V -94.49* 31.00 -89.37 116.94* 31.00 115.48 180.00* 0.85 -173.22 180.00 179.35
257 R -95.63* 31.00 -96.00 148.46* 31.00 148.85 -60.00* 0.85 -58.37 180.00 178.51
258 A -114.65* 31.00 -114.71 144.30* 31.00 144.33 NONE 0.00 NONE 180.00 -177.60
260 F -72.70* 31.00 -86.21 -13.98* 31.00 -0.00 60.00* 0.85 62.82 180.00 -173.23
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Mark Berjanskii , Steve Neal ,
or David Wishart .