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Comparison of PREDITOR predictions with PDB-derived angles for Pancreatic Trypsin Inhibitor (Cow).
Chemical shifts were obtained from 46, 262, 485,
Reference structure is 5PTI.


PDB Homologue: 1AAL;    BLAST E value= 2e-23;    %Seq Identity= 96.49


Res#AAφpredErrorφexpψpredErrorψexpχ1predConfχ1expωpredωexp
2P-54.41*41.00-61.42144.75*41.00144.88-14.17*0.85-16.41180.00-178.43
3D-54.86*41.00-62.77-31.32*41.00-28.48-60.00*0.85-72.08180.00-179.63
4F-65.43*41.00-64.06-18.18*41.00-23.2660.00*0.8564.80180.00177.07
5C-66.09*31.00-65.27-18.58*31.00-16.23-60.00*0.85-62.22180.00-178.99
6L-90.30*31.00-91.68-6.53*31.00-8.05-60.00*0.85-56.27180.00179.45
7E-86.15*31.00-79.10158.61*31.00147.1460.00*0.8536.56180.00178.61
8P-63.84*21.00-67.54148.77*21.00155.18-10.83*0.8526.26180.00179.57
9P-66.71*21.00-63.48147.48*21.00144.7327.97*0.8535.85180.00-178.49
10Y-121.72*11.00-120.93109.84*11.00110.11180.00*0.85-179.95180.00179.77
11T-71.94*5.50-71.66-37.62*5.50-39.70-60.00*0.85-68.95180.00176.61
12G87.45*21.0088.62175.37*21.00178.54NONE0.00NONE180.00-179.04
13P-86.11*21.00-82.41-10.49*21.00-3.4238.59*0.8535.22180.00-179.27
14C-78.13*31.00-84.35168.95*31.00154.75-60.00*0.85-71.94180.00-170.10
15K-113.59*31.00-108.1317.76*31.0021.39-60.00*0.85-37.06180.00175.49
16A-71.13*31.00-76.04168.44*31.00168.38NONE0.00NONE180.00172.55
17R-131.14*31.00-128.8784.17*31.0086.20-60.00*0.85-64.82180.00-177.68
18I-114.41*21.00-108.77130.05*21.00117.47-60.00*0.85-53.54180.00-179.69
19I-78.51*21.00-83.30128.25*21.00121.75-60.00*0.85-60.96180.00-178.09
20R-127.96*11.00-129.02162.62*11.00168.00-60.00*0.85-72.26180.00175.05
21Y-103.22*11.00-102.04150.97*11.00148.73-60.00*0.85-83.78180.00171.85
22F-146.89*11.00-136.43159.69*11.00154.9660.00*0.8571.19180.00172.40
23Y-92.41*11.00-86.21123.08*11.00121.07180.00*0.85-174.30180.00176.41
24N-86.70*11.00-96.13102.14*11.0098.80180.00*0.85-179.87180.00-175.04
25A-67.57*15.50-65.54-19.74*15.50-23.62NONE0.00NONE180.00176.47
26K-82.79*21.00-71.37-33.77*21.00-38.06180.00*0.85176.90180.00178.96
27A-96.80*21.00-94.40-18.79*21.00-17.82NONE0.00NONE180.00-175.96
28G74.06*21.0065.8123.01*21.0032.77NONE0.00NONE180.00-179.82
29L-142.06*11.00-141.46171.60*11.00157.0460.00*0.85-65.72180.00172.44
30C-87.03*21.00-86.67127.85*21.00133.19180.00*0.85-72.34180.00-176.01
31Q-129.99*11.00-133.83-173.81*11.00164.41-60.00*0.85-64.20180.00-179.09
32T-125.95*21.00-88.96161.74*21.00156.4860.00*0.8556.56180.00175.02
33F-148.31*21.00-151.41166.35*21.00165.7960.00*0.8580.89180.00177.79
34V-91.18*21.00-98.39119.91*21.00114.85180.00*0.85-177.19180.00176.80
35Y-98.44*21.00-94.84130.76*21.00136.45180.00*0.85170.30180.00-178.05
36G-76.42*21.00-81.00-10.84*21.00-8.56NONE0.00NONE180.00176.83
37G103.76*21.00104.87-0.20*21.00-7.42NONE0.00NONE180.00175.06
38C-148.87*21.00-146.31156.84*21.00158.2160.00*0.8561.04180.00175.07
39R62.62*21.0061.0735.74*21.0041.01-60.00*0.85-60.33180.00177.90
40A-53.61*21.00-55.99141.07*21.00149.65NONE0.00NONE180.00174.53
41K-93.86*21.00-105.02176.12*21.00179.56-60.00*0.85-68.07180.00-172.04
42R-72.35*5.50-75.10-28.28*5.50-30.42-60.00*0.85-69.79180.00-178.16
43N-85.47*11.00-90.0070.66*11.0071.14180.00*0.85-170.28180.00-174.41
44N-157.17*21.00-158.94111.30*21.00114.94180.00*0.85176.82180.00-175.32
45F-123.31*21.00-133.55152.20*21.00153.27-60.00*0.85-58.59180.00179.72
46K-86.28*5.50-88.13-8.51*5.50-17.20-60.00*0.85-65.66180.00178.85
47S-149.82*11.00-141.33158.62*11.00151.1960.00*0.8565.84180.00176.46
48A-64.46*5.50-61.82-39.71*5.50-32.51NONE0.00NONE180.00178.84
49E-58.37*5.50-66.79-43.18*5.50-45.94180.00*0.85-40.37180.00-179.12
50D-59.30*5.50-65.88-40.11*5.50-39.06-60.00*0.85-107.11180.00-179.91
51C-69.39*5.50-57.85-42.35*5.50-52.21180.00*0.85178.08180.00-178.76
52M-61.64*5.50-64.85-49.45*5.50-42.87-60.00*0.85-74.29180.00176.55
53R-63.88*5.50-60.44-40.18*5.50-36.75-60.00*0.85-170.71180.00-179.83
54T-75.94*5.50-82.25-41.00*5.50-41.69-60.00*0.85-57.01180.00-173.63
55C-108.98*5.50-113.87-1.54*5.50-15.87-60.00*0.85-64.48180.00-176.13
56G-69.26*21.00-88.11143.00*21.00-167.16NONE0.00NONE180.00177.69
57G-85.52*31.00-163.82NONE31.00-138.12NONE0.00NONE180.00177.04
58ANONE40.00-131.56NONE42.00NONENONE0.00NONE180.00NONE

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