NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484501 |
2htf   |
7259 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2htf
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1395
_Distance_constraint_stats_list.Viol_count 1347
_Distance_constraint_stats_list.Viol_total 1377.942
_Distance_constraint_stats_list.Viol_max 1.266
_Distance_constraint_stats_list.Viol_rms 0.0454
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0930
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.312 0.080 3 0 "[ . 1 ]"
1 5 SER 0.312 0.080 3 0 "[ . 1 ]"
1 6 THR 5.038 0.821 1 1 "[+ . 1 ]"
1 7 ARG 3.142 0.879 1 1 "[+ . 1 ]"
1 8 PHE 2.548 0.879 1 1 "[+ . 1 ]"
1 9 PRO 0.949 0.178 6 0 "[ . 1 ]"
1 10 GLY 0.016 0.016 3 0 "[ . 1 ]"
1 11 VAL 5.078 0.748 1 1 "[+ . 1 ]"
1 12 ALA 3.851 0.302 11 0 "[ . 1 ]"
1 13 ILE 12.959 1.266 11 5 "[- * * * 1+]"
1 14 TYR 0.774 0.090 1 0 "[ . 1 ]"
1 15 LEU 6.846 0.740 1 1 "[+ . 1 ]"
1 16 VAL 5.642 0.854 1 1 "[+ . 1 ]"
1 17 GLU 0.852 0.204 1 0 "[ . 1 ]"
1 18 PRO 0.288 0.117 11 0 "[ . 1 ]"
1 19 ARG 0.230 0.117 11 0 "[ . 1 ]"
1 20 MET 1.857 0.217 7 0 "[ . 1 ]"
1 21 GLY 0.779 0.217 7 0 "[ . 1 ]"
1 22 ARG 2.502 0.500 1 1 "[+ . 1 ]"
1 23 SER 0.013 0.013 6 0 "[ . 1 ]"
1 24 ARG 3.435 0.442 1 0 "[ . 1 ]"
1 25 ARG 1.936 0.252 1 0 "[ . 1 ]"
1 26 ALA 3.477 0.500 1 1 "[+ . 1 ]"
1 27 PHE 3.256 0.355 1 0 "[ . 1 ]"
1 28 LEU 12.467 0.654 1 1 "[+ . 1 ]"
1 29 THR 2.206 0.252 1 0 "[ . 1 ]"
1 30 GLY 1.062 0.191 1 0 "[ . 1 ]"
1 31 LEU 2.453 0.453 1 0 "[ . 1 ]"
1 32 ALA 6.810 0.461 1 0 "[ . 1 ]"
1 33 ARG 0.193 0.093 2 0 "[ . 1 ]"
1 34 SER 0.063 0.033 3 0 "[ . 1 ]"
1 35 LYS 1.991 0.322 1 0 "[ . 1 ]"
1 36 GLY 0.436 0.089 5 0 "[ . 1 ]"
1 37 PHE 1.989 0.456 1 0 "[ . 1 ]"
1 38 ARG 4.069 0.571 1 1 "[+ . 1 ]"
1 39 VAL 13.473 1.266 11 5 "[- * * * 1+]"
1 40 LEU 2.652 0.282 11 0 "[ . 1 ]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 42 ALA 0.174 0.060 4 0 "[ . 1 ]"
1 45 SER 0.379 0.113 1 0 "[ . 1 ]"
1 46 GLU 0.163 0.059 5 0 "[ . 1 ]"
1 47 ALA 2.361 0.239 11 0 "[ . 1 ]"
1 48 THR 2.417 0.283 10 0 "[ . 1 ]"
1 49 HIS 3.732 0.303 11 0 "[ . 1 ]"
1 50 VAL 4.218 0.900 1 1 "[+ . 1 ]"
1 51 VAL 8.358 0.506 1 1 "[+ . 1 ]"
1 52 MET 3.280 0.854 1 1 "[+ . 1 ]"
1 53 GLU 3.834 0.829 1 1 "[+ . 1 ]"
1 54 GLU 0.443 0.249 3 0 "[ . 1 ]"
1 55 THR 2.932 0.450 1 0 "[ . 1 ]"
1 56 SER 0.176 0.117 8 0 "[ . 1 ]"
1 57 ALA 3.616 0.833 1 1 "[+ . 1 ]"
1 58 GLU 3.131 0.451 5 0 "[ . 1 ]"
1 59 GLU 1.701 0.451 5 0 "[ . 1 ]"
1 60 ALA 6.992 0.516 1 1 "[+ . 1 ]"
1 61 VAL 1.880 0.203 1 0 "[ . 1 ]"
1 62 SER 0.000 0.000 . 0 "[ . 1 ]"
1 63 TRP 4.165 0.900 1 1 "[+ . 1 ]"
1 64 GLN 2.253 0.365 1 0 "[ . 1 ]"
1 65 GLU 1.497 0.206 3 0 "[ . 1 ]"
1 66 ARG 0.908 0.224 7 0 "[ . 1 ]"
1 67 ARG 1.339 0.515 1 1 "[+ . 1 ]"
1 68 MET 3.498 0.515 1 1 "[+ . 1 ]"
1 69 ALA 0.011 0.006 10 0 "[ . 1 ]"
1 70 ALA 0.297 0.063 7 0 "[ . 1 ]"
1 71 ALA 0.265 0.050 3 0 "[ . 1 ]"
1 72 PRO 0.028 0.017 8 0 "[ . 1 ]"
1 73 PRO 0.738 0.429 1 0 "[ . 1 ]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 75 CYS 0.777 0.429 1 0 "[ . 1 ]"
1 76 THR 0.812 0.341 1 0 "[ . 1 ]"
1 78 PRO 2.329 0.186 5 0 "[ . 1 ]"
1 79 ALA 2.518 0.280 1 0 "[ . 1 ]"
1 80 LEU 2.849 0.365 1 0 "[ . 1 ]"
1 81 LEU 4.600 0.280 1 0 "[ . 1 ]"
1 82 ASP 1.348 0.829 1 1 "[+ . 1 ]"
1 83 ILE 7.208 0.740 1 1 "[+ . 1 ]"
1 84 SER 2.862 0.506 1 1 "[+ . 1 ]"
1 85 TRP 5.288 0.748 1 1 "[+ . 1 ]"
1 86 LEU 3.002 0.526 1 1 "[+ . 1 ]"
1 87 THR 1.535 0.201 1 0 "[ . 1 ]"
1 88 GLU 0.298 0.223 8 0 "[ . 1 ]"
1 89 SER 1.643 0.573 1 1 "[+ . 1 ]"
1 90 LEU 4.203 0.413 1 0 "[ . 1 ]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 92 ALA 0.343 0.161 1 0 "[ . 1 ]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 94 GLN 0.411 0.122 11 0 "[ . 1 ]"
1 95 PRO 0.755 0.161 1 0 "[ . 1 ]"
1 96 VAL 1.026 0.121 1 0 "[ . 1 ]"
1 97 PRO 0.654 0.121 1 0 "[ . 1 ]"
1 98 VAL 0.998 0.183 1 0 "[ . 1 ]"
1 99 GLU 0.480 0.157 5 0 "[ . 1 ]"
1 100 CYS 0.814 0.316 1 0 "[ . 1 ]"
1 101 ARG 0.011 0.011 7 0 "[ . 1 ]"
1 102 HIS 0.514 0.203 2 0 "[ . 1 ]"
1 103 ARG 2.004 0.316 1 0 "[ . 1 ]"
1 104 LEU 3.437 0.336 7 0 "[ . 1 ]"
1 105 GLU 3.891 0.833 1 1 "[+ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ILE H 1 39 VAL MG2 5.500 . 5.500 4.773 4.517 5.010 . 0 0 "[ . 1 ]" 1
2 1 13 ILE MG 1 39 VAL H 5.500 . 5.500 6.174 5.624 6.766 1.266 11 5 "[- * * * 1+]" 1
3 1 32 ALA H 1 39 VAL MG2 5.500 . 5.500 5.010 4.524 5.598 0.098 4 0 "[ . 1 ]" 1
4 1 95 PRO QB 1 97 PRO QD 3.650 . 5.500 5.357 4.981 5.503 0.003 6 0 "[ . 1 ]" 1
5 1 20 MET QB 1 20 MET QG 2.360 . 2.920 2.047 1.998 2.087 . 0 0 "[ . 1 ]" 1
6 1 96 VAL HB 1 97 PRO QD 3.520 . 5.240 2.305 1.997 2.495 . 0 0 "[ . 1 ]" 1
7 1 12 ALA MB 1 47 ALA HA 2.265 . 2.730 1.849 1.716 1.962 0.084 8 0 "[ . 1 ]" 1
8 1 40 LEU QD 1 47 ALA HA 2.445 . 3.090 3.026 2.714 3.178 0.088 10 0 "[ . 1 ]" 1
9 1 62 SER HA 1 65 GLU QB 3.515 . 5.230 2.673 2.390 2.923 . 0 0 "[ . 1 ]" 1
10 1 35 LYS HA 1 35 LYS QD 3.425 . 5.050 1.974 1.799 2.263 0.001 3 0 "[ . 1 ]" 1
11 1 35 LYS QD 1 35 LYS QG 2.100 . 2.400 2.087 2.084 2.090 . 0 0 "[ . 1 ]" 1
12 1 58 GLU QB 1 58 GLU QG 2.175 . 2.550 2.028 1.967 2.082 . 0 0 "[ . 1 ]" 1
13 1 94 GLN HA 1 95 PRO QD 2.510 . 3.220 2.096 1.858 2.230 . 0 0 "[ . 1 ]" 1
14 1 13 ILE QG 1 13 ILE MG 2.490 . 3.180 2.268 2.049 2.355 . 0 0 "[ . 1 ]" 1
15 1 60 ALA HA 1 63 TRP QB 2.525 . 3.250 1.971 1.751 2.355 0.049 11 0 "[ . 1 ]" 1
16 1 92 ALA MB 1 94 GLN QB 3.525 . 4.430 4.099 3.895 4.410 . 0 0 "[ . 1 ]" 1
17 1 83 ILE QG 1 83 ILE MG 2.350 . 2.900 2.095 2.072 2.110 . 0 0 "[ . 1 ]" 1
18 1 68 MET ME 1 75 CYS QB 2.735 . 3.670 2.956 2.331 3.698 0.028 5 0 "[ . 1 ]" 1
19 1 63 TRP QB 1 66 ARG QG 3.650 . 5.500 4.953 4.088 5.553 0.053 11 0 "[ . 1 ]" 1
20 1 38 ARG QB 1 38 ARG QG 2.210 . 2.620 2.058 2.016 2.089 . 0 0 "[ . 1 ]" 1
21 1 11 VAL MG1 1 95 PRO QG 3.650 . 3.910 3.388 1.891 3.981 0.071 6 0 "[ . 1 ]" 1
22 1 66 ARG QB 1 66 ARG QG 2.100 . 2.400 2.036 1.999 2.087 . 0 0 "[ . 1 ]" 1
23 1 86 LEU QB 1 86 LEU HG 2.400 . 3.000 2.333 2.310 2.360 . 0 0 "[ . 1 ]" 1
24 1 32 ALA MB 1 86 LEU HG 3.650 . 5.500 3.535 3.119 3.814 . 0 0 "[ . 1 ]" 1
25 1 7 ARG QB 1 7 ARG QG 2.100 . 2.400 2.023 1.997 2.085 . 0 0 "[ . 1 ]" 1
26 1 24 ARG QB 1 24 ARG QG 2.100 . 2.400 2.044 2.000 2.086 . 0 0 "[ . 1 ]" 1
27 1 28 LEU HG 1 32 ALA MB 3.650 . 5.500 4.933 4.591 5.445 . 0 0 "[ . 1 ]" 1
28 1 96 VAL HA 1 97 PRO QD 2.370 . 2.940 1.925 1.795 2.111 0.005 11 0 "[ . 1 ]" 1
29 1 79 ALA MB 1 81 LEU MD2 2.470 . 3.140 2.230 1.803 3.322 0.182 10 0 "[ . 1 ]" 1
30 1 71 ALA HA 1 72 PRO QD 2.310 . 2.390 2.003 1.842 2.297 . 0 0 "[ . 1 ]" 1
31 1 71 ALA MB 1 72 PRO QD 2.535 . 2.740 2.234 1.783 2.692 0.017 8 0 "[ . 1 ]" 1
32 1 68 MET ME 1 78 PRO QD 2.800 . 3.800 2.921 2.431 3.573 . 0 0 "[ . 1 ]" 1
33 1 35 LYS QG 1 90 LEU QB 2.885 . 3.970 2.907 2.351 3.390 . 0 0 "[ . 1 ]" 1
34 1 15 LEU QD 1 32 ALA MB 3.650 . 5.500 4.179 4.015 4.511 . 0 0 "[ . 1 ]" 1
35 1 15 LEU QD 1 83 ILE MG 3.650 . 5.500 5.125 4.770 5.532 0.032 11 0 "[ . 1 ]" 1
36 1 15 LEU QD 1 83 ILE MD 2.555 . 3.310 2.467 2.002 3.033 . 0 0 "[ . 1 ]" 1
37 1 15 LEU QD 1 28 LEU MD2 2.170 . 2.540 2.227 1.735 2.604 0.065 6 0 "[ . 1 ]" 1
38 1 15 LEU QD 1 83 ILE HA 3.650 . 5.500 4.495 4.201 4.905 . 0 0 "[ . 1 ]" 1
39 1 61 VAL HA 1 80 LEU HG 3.275 . 4.750 4.408 4.175 4.633 . 0 0 "[ . 1 ]" 1
40 1 15 LEU HA 1 15 LEU QD 2.505 . 3.210 2.686 2.193 3.114 . 0 0 "[ . 1 ]" 1
41 1 15 LEU QB 1 15 LEU QD 2.320 . 2.840 1.897 1.843 2.072 . 0 0 "[ . 1 ]" 1
42 1 15 LEU QD 1 50 VAL HA 3.650 . 5.500 4.942 4.534 5.353 . 0 0 "[ . 1 ]" 1
43 1 15 LEU QD 1 51 VAL HA 3.650 . 5.500 4.951 4.250 5.337 . 0 0 "[ . 1 ]" 1
44 1 32 ALA HA 1 35 LYS QG 3.525 . 5.250 2.624 2.493 2.903 . 0 0 "[ . 1 ]" 1
45 1 35 LYS HA 1 35 LYS QG 2.885 . 3.970 2.927 2.749 3.094 . 0 0 "[ . 1 ]" 1
46 1 32 ALA HA 1 90 LEU MD2 2.555 . 3.310 1.975 1.787 2.665 0.013 5 0 "[ . 1 ]" 1
47 1 90 LEU HA 1 90 LEU MD2 2.615 . 3.430 2.066 1.816 3.620 0.190 10 0 "[ . 1 ]" 1
48 1 90 LEU QB 1 90 LEU MD2 2.510 . 3.220 2.401 2.056 2.474 . 0 0 "[ . 1 ]" 1
49 1 86 LEU HG 1 90 LEU MD2 2.825 . 3.850 3.170 2.919 3.776 . 0 0 "[ . 1 ]" 1
50 1 79 ALA MB 1 81 LEU MD1 2.470 . 3.140 3.078 1.932 3.420 0.280 1 0 "[ . 1 ]" 1
51 1 28 LEU HA 1 31 LEU QD 3.210 . 4.620 3.065 2.708 3.616 . 0 0 "[ . 1 ]" 1
52 1 31 LEU QD 1 35 LYS QG 3.275 . 4.750 3.516 3.209 3.842 . 0 0 "[ . 1 ]" 1
53 1 55 THR HB 1 60 ALA MB 3.650 . 5.500 3.423 3.123 3.832 . 0 0 "[ . 1 ]" 1
54 1 58 GLU HA 1 61 VAL MG2 2.510 . 3.220 2.647 2.404 2.898 . 0 0 "[ . 1 ]" 1
55 1 80 LEU HA 1 80 LEU QD 2.470 . 3.140 1.965 1.774 2.263 0.026 9 0 "[ . 1 ]" 1
56 1 80 LEU QB 1 80 LEU QD 2.545 . 2.790 1.936 1.891 1.968 . 0 0 "[ . 1 ]" 1
57 1 50 VAL HA 1 80 LEU QD 3.650 . 5.500 4.811 4.440 5.322 . 0 0 "[ . 1 ]" 1
58 1 51 VAL HA 1 80 LEU QD 3.650 . 5.500 5.143 4.641 5.393 . 0 0 "[ . 1 ]" 1
59 1 64 GLN HA 1 80 LEU QD 3.650 . 5.500 3.264 3.064 3.545 . 0 0 "[ . 1 ]" 1
60 1 50 VAL HB 1 80 LEU QD 2.740 . 3.680 2.408 2.095 2.861 . 0 0 "[ . 1 ]" 1
61 1 55 THR MG 1 80 LEU QD 3.415 . 5.030 4.340 4.035 4.587 . 0 0 "[ . 1 ]" 1
62 1 61 VAL MG2 1 80 LEU QD 2.450 . 3.100 2.215 1.957 2.551 . 0 0 "[ . 1 ]" 1
63 1 60 ALA MB 1 61 VAL MG2 2.695 . 3.590 3.516 3.351 3.633 0.043 11 0 "[ . 1 ]" 1
64 1 57 ALA MB 1 61 VAL MG2 2.820 . 3.840 3.110 2.771 3.414 . 0 0 "[ . 1 ]" 1
65 1 64 GLN QG 1 80 LEU QD 3.650 . 5.500 2.849 2.312 3.176 . 0 0 "[ . 1 ]" 1
66 1 16 VAL MG1 1 52 MET QG 2.810 . 3.820 3.174 1.955 4.674 0.854 1 1 "[+ . 1 ]" 1
67 1 86 LEU QD 1 89 SER QB 2.945 . 4.090 2.862 2.278 3.639 . 0 0 "[ . 1 ]" 1
68 1 86 LEU QD 1 90 LEU HG 2.865 . 3.930 2.954 2.567 4.058 0.128 10 0 "[ . 1 ]" 1
69 1 86 LEU QB 1 86 LEU QD 2.210 . 2.620 1.956 1.947 1.963 . 0 0 "[ . 1 ]" 1
70 1 32 ALA MB 1 86 LEU QD 2.485 . 3.170 2.334 2.001 2.589 . 0 0 "[ . 1 ]" 1
71 1 83 ILE MD 1 86 LEU QD 2.250 . 2.700 2.148 1.903 2.703 0.003 6 0 "[ . 1 ]" 1
72 1 28 LEU QB 1 86 LEU QD 3.650 . 5.500 2.455 2.047 2.955 . 0 0 "[ . 1 ]" 1
73 1 50 VAL HA 1 50 VAL MG1 2.580 . 3.360 2.413 2.372 2.463 . 0 0 "[ . 1 ]" 1
74 1 32 ALA HA 1 90 LEU MD1 2.555 . 3.310 3.291 2.346 3.719 0.409 1 0 "[ . 1 ]" 1
75 1 90 LEU QB 1 90 LEU MD1 2.510 . 3.220 2.079 2.059 2.195 . 0 0 "[ . 1 ]" 1
76 1 32 ALA MB 1 90 LEU MD1 2.715 . 3.630 2.476 1.831 2.894 . 0 0 "[ . 1 ]" 1
77 1 86 LEU HG 1 90 LEU MD1 2.825 . 3.850 2.676 1.887 3.068 . 0 0 "[ . 1 ]" 1
78 1 51 VAL QG 1 83 ILE HB 3.650 . 5.500 3.383 2.171 3.953 . 0 0 "[ . 1 ]" 1
79 1 40 LEU QB 1 40 LEU QD 2.460 . 2.620 2.053 2.023 2.064 . 0 0 "[ . 1 ]" 1
80 1 2 THR HB 1 5 SER QB 3.650 . 5.500 5.172 4.210 5.580 0.080 3 0 "[ . 1 ]" 1
81 1 83 ILE MD 1 87 THR MG 2.500 . 3.200 3.247 3.124 3.401 0.201 1 0 "[ . 1 ]" 1
82 1 86 LEU QD 1 87 THR MG 2.950 . 4.100 4.018 3.775 4.158 0.058 7 0 "[ . 1 ]" 1
83 1 28 LEU MD2 1 87 THR MG 2.980 . 4.160 4.093 3.617 4.277 0.117 3 0 "[ . 1 ]" 1
84 1 50 VAL HA 1 50 VAL MG2 2.580 . 3.360 2.363 2.327 2.401 . 0 0 "[ . 1 ]" 1
85 1 51 VAL HA 1 51 VAL QG 2.480 . 3.160 2.178 2.124 2.249 . 0 0 "[ . 1 ]" 1
86 1 51 VAL QG 1 86 LEU QB 3.650 . 5.500 2.267 1.989 2.590 . 0 0 "[ . 1 ]" 1
87 1 28 LEU MD1 1 86 LEU QD 2.465 . 3.130 1.794 1.701 1.953 0.099 8 0 "[ . 1 ]" 1
88 1 15 LEU QD 1 28 LEU MD1 2.385 . 2.970 1.784 1.703 1.982 0.097 11 0 "[ . 1 ]" 1
89 1 15 LEU QD 1 51 VAL QG 2.525 . 3.250 1.999 1.743 2.478 0.057 2 0 "[ . 1 ]" 1
90 1 6 THR HB 1 39 VAL HA 3.195 . 4.590 4.820 4.534 5.411 0.821 1 1 "[+ . 1 ]" 1
91 1 6 THR HA 1 6 THR HB 2.360 . 2.920 2.382 2.259 2.463 . 0 0 "[ . 1 ]" 1
92 1 6 THR HB 1 39 VAL HB 3.650 . 5.500 4.177 3.649 4.941 . 0 0 "[ . 1 ]" 1
93 1 83 ILE QG 1 87 THR MG 2.695 . 3.590 2.528 1.921 3.002 . 0 0 "[ . 1 ]" 1
94 1 86 LEU QB 1 87 THR MG 2.625 . 3.450 3.372 3.187 3.479 0.029 5 0 "[ . 1 ]" 1
95 1 35 LYS QG 1 93 GLY QA 3.650 . 5.500 3.722 3.042 4.587 . 0 0 "[ . 1 ]" 1
96 1 92 ALA MB 1 93 GLY QA 3.650 . 5.500 3.922 3.878 4.011 . 0 0 "[ . 1 ]" 1
97 1 25 ARG QG 1 28 LEU MD2 3.650 . 5.500 3.297 2.614 3.955 . 0 0 "[ . 1 ]" 1
98 1 24 ARG QG 1 28 LEU MD2 3.650 . 5.500 2.798 1.965 4.134 . 0 0 "[ . 1 ]" 1
99 1 28 LEU MD2 1 83 ILE QG 3.650 . 5.500 3.076 2.580 3.583 . 0 0 "[ . 1 ]" 1
100 1 28 LEU MD2 1 86 LEU QD 2.245 . 2.690 2.510 1.941 2.752 0.062 6 0 "[ . 1 ]" 1
101 1 96 VAL HA 1 96 VAL MG1 2.100 . 2.400 2.340 2.325 2.353 . 0 0 "[ . 1 ]" 1
102 1 89 SER QB 1 96 VAL MG1 2.905 . 4.010 3.399 2.723 3.858 . 0 0 "[ . 1 ]" 1
103 1 92 ALA MB 1 96 VAL MG1 2.190 . 2.580 2.421 2.216 2.589 0.009 3 0 "[ . 1 ]" 1
104 1 92 ALA HA 1 96 VAL MG1 3.520 . 5.240 4.861 4.622 5.076 . 0 0 "[ . 1 ]" 1
105 1 96 VAL MG1 1 97 PRO QD 2.425 . 3.050 3.086 2.994 3.171 0.121 1 0 "[ . 1 ]" 1
106 1 16 VAL HA 1 16 VAL MG2 2.535 . 3.270 2.737 2.430 3.206 . 0 0 "[ . 1 ]" 1
107 1 2 THR HA 1 2 THR MG 2.570 . 3.340 2.304 2.214 2.433 . 0 0 "[ . 1 ]" 1
108 1 98 VAL HA 1 98 VAL MG2 2.525 . 3.250 2.413 2.343 2.441 . 0 0 "[ . 1 ]" 1
109 1 76 THR HA 1 76 THR MG 2.345 . 2.890 2.311 2.212 2.402 . 0 0 "[ . 1 ]" 1
110 1 58 GLU QG 1 61 VAL MG1 3.650 . 5.500 5.472 4.645 5.670 0.170 1 0 "[ . 1 ]" 1
111 1 60 ALA MB 1 61 VAL MG1 3.650 . 5.500 5.202 5.096 5.255 . 0 0 "[ . 1 ]" 1
112 1 11 VAL MG1 1 89 SER QB 3.650 . 5.500 5.087 4.722 5.483 . 0 0 "[ . 1 ]" 1
113 1 11 VAL HA 1 11 VAL MG1 2.580 . 3.360 2.621 2.349 3.225 . 0 0 "[ . 1 ]" 1
114 1 11 VAL MG1 1 95 PRO QB 2.560 . 3.320 2.642 2.329 2.939 . 0 0 "[ . 1 ]" 1
115 1 11 VAL HA 1 48 THR MG 2.375 . 2.950 2.690 2.411 2.989 0.039 4 0 "[ . 1 ]" 1
116 1 55 THR MG 1 60 ALA HA 2.490 . 3.180 2.863 2.535 3.333 0.153 11 0 "[ . 1 ]" 1
117 1 55 THR MG 1 80 LEU HG 3.650 . 5.500 5.508 5.155 5.602 0.102 7 0 "[ . 1 ]" 1
118 1 55 THR MG 1 59 GLU QG 2.620 . 3.440 3.218 3.016 3.490 0.050 11 0 "[ . 1 ]" 1
119 1 55 THR MG 1 59 GLU QB 2.285 . 2.770 1.831 1.705 2.033 0.095 5 0 "[ . 1 ]" 1
120 1 28 LEU MD2 1 29 THR HA 3.525 . 5.250 5.001 4.845 5.287 0.037 1 0 "[ . 1 ]" 1
121 1 11 VAL HA 1 12 ALA MB 3.195 . 4.590 4.011 3.842 4.185 . 0 0 "[ . 1 ]" 1
122 1 12 ALA MB 1 40 LEU HA 3.390 . 4.980 3.997 3.680 4.370 . 0 0 "[ . 1 ]" 1
123 1 12 ALA MB 1 38 ARG QB 2.915 . 4.030 3.930 3.401 4.332 0.302 11 0 "[ . 1 ]" 1
124 1 12 ALA MB 1 40 LEU QD 2.235 . 2.670 2.164 1.729 2.680 0.071 4 0 "[ . 1 ]" 1
125 1 38 ARG QB 1 38 ARG QD 2.605 . 3.410 2.237 2.084 2.447 . 0 0 "[ . 1 ]" 1
126 1 38 ARG QD 1 40 LEU QD 3.170 . 4.540 2.841 1.830 3.921 . 0 0 "[ . 1 ]" 1
127 1 12 ALA MB 1 38 ARG QD 2.380 . 2.960 2.526 1.840 3.010 0.050 9 0 "[ . 1 ]" 1
128 1 6 THR MG 1 38 ARG QD 3.650 . 5.500 3.534 2.747 4.779 . 0 0 "[ . 1 ]" 1
129 1 6 THR MG 1 38 ARG QG 3.440 . 5.080 2.905 2.004 4.209 . 0 0 "[ . 1 ]" 1
130 1 11 VAL MG2 1 95 PRO QG 2.855 . 3.910 2.600 1.809 4.013 0.103 9 0 "[ . 1 ]" 1
131 1 6 THR HA 1 6 THR MG 2.565 . 3.330 2.542 2.346 3.115 . 0 0 "[ . 1 ]" 1
132 1 26 ALA MB 1 29 THR MG 3.555 . 5.310 4.653 4.156 5.319 0.009 2 0 "[ . 1 ]" 1
133 1 11 VAL HA 1 11 VAL MG2 2.580 . 3.360 2.398 2.324 2.450 . 0 0 "[ . 1 ]" 1
134 1 11 VAL MG2 1 95 PRO QB 2.560 . 3.320 2.315 1.864 3.006 . 0 0 "[ . 1 ]" 1
135 1 52 MET ME 1 60 ALA MB 3.260 . 4.720 2.839 1.790 3.970 0.010 7 0 "[ . 1 ]" 1
136 1 29 THR MG 1 33 ARG QD 2.500 . 3.200 2.441 1.807 3.120 . 0 0 "[ . 1 ]" 1
137 1 29 THR HA 1 29 THR MG 2.360 . 2.920 2.426 2.388 2.443 . 0 0 "[ . 1 ]" 1
138 1 29 THR MG 1 33 ARG QG 2.785 . 3.770 3.207 2.603 3.863 0.093 2 0 "[ . 1 ]" 1
139 1 51 VAL HA 1 60 ALA MB 3.650 . 5.500 5.580 5.402 5.701 0.201 3 0 "[ . 1 ]" 1
140 1 60 ALA MB 1 61 VAL HA 3.485 . 5.170 3.956 3.827 4.021 . 0 0 "[ . 1 ]" 1
141 1 59 GLU QB 1 60 ALA MB 2.730 . 3.660 3.556 3.476 3.674 0.014 1 0 "[ . 1 ]" 1
142 1 60 ALA MB 1 80 LEU HG 2.360 . 2.920 2.722 2.537 2.976 0.056 11 0 "[ . 1 ]" 1
143 1 60 ALA MB 1 80 LEU QD 2.285 . 2.770 2.047 1.777 2.463 0.023 2 0 "[ . 1 ]" 1
144 1 55 THR MG 1 60 ALA MB 2.100 . 2.400 1.888 1.724 2.098 0.076 11 0 "[ . 1 ]" 1
145 1 100 CYS HA 1 103 ARG QD 2.905 . 4.010 3.781 3.102 4.326 0.316 1 0 "[ . 1 ]" 1
146 1 66 ARG QB 1 66 ARG QD 2.100 . 2.400 2.318 2.111 2.624 0.224 7 0 "[ . 1 ]" 1
147 1 66 ARG QD 1 66 ARG QG 2.255 . 2.710 2.061 2.009 2.092 . 0 0 "[ . 1 ]" 1
148 1 22 ARG HA 1 22 ARG QD 3.175 . 4.550 3.937 2.238 4.239 . 0 0 "[ . 1 ]" 1
149 1 22 ARG QB 1 22 ARG QD 2.325 . 2.480 2.217 2.081 2.400 . 0 0 "[ . 1 ]" 1
150 1 22 ARG QD 1 22 ARG QG 2.180 . 2.560 2.054 1.991 2.091 . 0 0 "[ . 1 ]" 1
151 1 7 ARG QB 1 7 ARG QD 2.200 . 2.600 2.250 2.116 2.366 . 0 0 "[ . 1 ]" 1
152 1 7 ARG HA 1 7 ARG QD 2.805 . 3.810 3.086 2.386 4.010 0.200 4 0 "[ . 1 ]" 1
153 1 7 ARG QD 1 7 ARG QG 2.265 . 2.730 2.078 2.006 2.091 . 0 0 "[ . 1 ]" 1
154 1 92 ALA MB 1 94 GLN QG 2.565 . 2.910 2.391 2.137 2.848 . 0 0 "[ . 1 ]" 1
155 1 92 ALA MB 1 96 VAL MG2 3.605 . 5.410 4.146 3.707 4.401 . 0 0 "[ . 1 ]" 1
156 1 89 SER HA 1 92 ALA MB 2.500 . 3.200 2.866 2.659 3.184 . 0 0 "[ . 1 ]" 1
157 1 28 LEU QB 1 28 LEU HG 2.390 . 2.980 2.485 2.467 2.508 . 0 0 "[ . 1 ]" 1
158 1 28 LEU QB 1 28 LEU MD2 2.350 . 2.900 2.063 2.033 2.078 . 0 0 "[ . 1 ]" 1
159 1 88 GLU HA 1 92 ALA MB 3.650 . 5.500 4.852 4.583 5.094 . 0 0 "[ . 1 ]" 1
160 1 92 ALA MB 1 95 PRO HA 3.650 . 5.500 5.477 5.158 5.661 0.161 1 0 "[ . 1 ]" 1
161 1 12 ALA MB 1 47 ALA MB 2.400 . 3.000 3.037 2.845 3.239 0.239 11 0 "[ . 1 ]" 1
162 1 50 VAL HA 1 67 ARG QD 3.650 . 5.500 5.486 5.238 5.621 0.121 11 0 "[ . 1 ]" 1
163 1 28 LEU QB 1 28 LEU MD1 2.335 . 2.870 2.148 2.111 2.165 . 0 0 "[ . 1 ]" 1
164 1 61 VAL HA 1 64 GLN QG 3.650 . 5.500 4.436 3.988 4.820 . 0 0 "[ . 1 ]" 1
165 1 87 THR HA 1 87 THR MG 2.380 . 2.960 2.238 2.187 2.301 . 0 0 "[ . 1 ]" 1
166 1 14 TYR QB 1 47 ALA MB 2.590 . 3.380 2.123 1.800 2.537 . 0 0 "[ . 1 ]" 1
167 1 47 ALA MB 1 78 PRO QB 2.995 . 4.190 3.231 2.137 3.919 . 0 0 "[ . 1 ]" 1
168 1 40 LEU QD 1 47 ALA MB 2.230 . 2.660 2.134 1.721 2.555 0.079 6 0 "[ . 1 ]" 1
169 1 61 VAL HA 1 61 VAL MG2 2.240 . 2.680 2.286 2.234 2.341 . 0 0 "[ . 1 ]" 1
170 1 61 VAL HA 1 61 VAL MG1 2.235 . 2.670 2.524 2.453 2.584 . 0 0 "[ . 1 ]" 1
171 1 83 ILE HA 1 86 LEU QB 3.010 . 4.220 3.288 2.799 4.036 . 0 0 "[ . 1 ]" 1
172 1 48 THR MG 1 79 ALA MB 3.650 . 5.500 4.363 3.879 4.740 . 0 0 "[ . 1 ]" 1
173 1 13 ILE MG 1 48 THR MG 3.650 . 5.500 5.544 5.229 5.783 0.283 10 0 "[ . 1 ]" 1
174 1 71 ALA MB 1 75 CYS QB 2.565 . 3.330 2.585 2.076 3.040 . 0 0 "[ . 1 ]" 1
175 1 68 MET ME 1 71 ALA MB 2.360 . 2.920 2.466 1.899 2.760 . 0 0 "[ . 1 ]" 1
176 1 49 HIS HA 1 79 ALA MB 2.910 . 4.020 2.268 1.869 2.663 . 0 0 "[ . 1 ]" 1
177 1 78 PRO HA 1 79 ALA MB 3.420 . 5.040 4.138 4.036 4.255 . 0 0 "[ . 1 ]" 1
178 1 35 LYS QE 1 35 LYS QG 2.275 . 2.750 2.135 2.126 2.152 . 0 0 "[ . 1 ]" 1
179 1 31 LEU QD 1 35 LYS QE 2.685 . 2.990 2.483 1.921 2.885 . 0 0 "[ . 1 ]" 1
180 1 32 ALA MB 1 35 LYS QE 3.650 . 5.500 5.430 5.287 5.718 0.218 1 0 "[ . 1 ]" 1
181 1 83 ILE MD 1 86 LEU QB 2.295 . 2.790 2.058 1.796 2.551 0.004 7 0 "[ . 1 ]" 1
182 1 15 LEU QB 1 28 LEU MD2 3.650 . 5.500 3.726 3.327 4.252 . 0 0 "[ . 1 ]" 1
183 1 28 LEU MD2 1 86 LEU QB 3.650 . 5.500 3.960 3.648 4.152 . 0 0 "[ . 1 ]" 1
184 1 53 GLU HA 1 83 ILE MG 2.845 . 3.890 2.201 1.840 2.885 . 0 0 "[ . 1 ]" 1
185 1 53 GLU QG 1 83 ILE MG 2.760 . 3.720 3.264 1.682 4.139 0.419 1 0 "[ . 1 ]" 1
186 1 31 LEU QB 1 31 LEU QD 2.285 . 2.770 1.954 1.943 1.962 . 0 0 "[ . 1 ]" 1
187 1 13 ILE MG 1 15 LEU QB 3.230 . 4.660 4.405 3.837 4.692 0.032 6 0 "[ . 1 ]" 1
188 1 31 LEU QB 1 31 LEU HG 2.155 . 2.510 2.324 2.292 2.349 . 0 0 "[ . 1 ]" 1
189 1 13 ILE HA 1 13 ILE MG 2.650 . 3.500 2.295 2.240 2.391 . 0 0 "[ . 1 ]" 1
190 1 13 ILE MG 1 14 TYR HA 3.155 . 4.510 3.811 3.169 3.980 . 0 0 "[ . 1 ]" 1
191 1 13 ILE MG 1 50 VAL HA 3.365 . 4.930 4.298 3.722 4.960 0.030 3 0 "[ . 1 ]" 1
192 1 13 ILE MG 1 86 LEU QB 3.650 . 5.500 3.440 3.171 3.860 . 0 0 "[ . 1 ]" 1
193 1 13 ILE MG 1 15 LEU QD 2.310 . 2.820 2.247 1.843 2.569 . 0 0 "[ . 1 ]" 1
194 1 13 ILE MG 1 86 LEU QD 2.510 . 3.220 2.126 1.903 2.427 . 0 0 "[ . 1 ]" 1
195 1 65 GLU QB 1 69 ALA MB 3.530 . 5.260 4.166 3.992 4.381 . 0 0 "[ . 1 ]" 1
196 1 57 ALA MB 1 104 LEU HG 2.715 . 3.630 2.878 1.868 3.514 . 0 0 "[ . 1 ]" 1
197 1 69 ALA MB 1 70 ALA HA 2.935 . 4.070 3.957 3.896 4.012 . 0 0 "[ . 1 ]" 1
198 1 66 ARG HA 1 69 ALA MB 2.375 . 2.950 2.524 2.249 2.909 . 0 0 "[ . 1 ]" 1
199 1 26 ALA MB 1 28 LEU MD2 3.650 . 5.500 5.584 5.434 5.958 0.458 1 0 "[ . 1 ]" 1
200 1 89 SER QB 1 96 VAL MG2 3.650 . 5.500 2.808 1.750 3.541 0.050 5 0 "[ . 1 ]" 1
201 1 96 VAL HA 1 96 VAL MG2 2.545 . 3.290 3.214 3.205 3.218 . 0 0 "[ . 1 ]" 1
202 1 95 PRO HA 1 96 VAL MG2 2.840 . 3.880 3.703 3.645 3.776 . 0 0 "[ . 1 ]" 1
203 1 96 VAL MG2 1 97 PRO QD 3.635 . 5.470 3.581 3.428 3.757 . 0 0 "[ . 1 ]" 1
204 1 26 ALA MB 1 28 LEU HG 3.650 . 5.500 5.390 5.241 5.498 . 0 0 "[ . 1 ]" 1
205 1 32 ALA MB 1 90 LEU MD2 2.715 . 3.630 2.101 1.916 2.835 . 0 0 "[ . 1 ]" 1
206 1 32 ALA MB 1 37 PHE QB 2.560 . 3.320 2.432 1.798 2.981 0.002 2 0 "[ . 1 ]" 1
207 1 32 ALA MB 1 33 ARG QG 3.155 . 4.510 3.578 3.214 4.387 . 0 0 "[ . 1 ]" 1
208 1 32 ALA MB 1 35 LYS QD 3.650 . 5.500 5.633 5.561 5.822 0.322 1 0 "[ . 1 ]" 1
209 1 32 ALA MB 1 35 LYS QG 2.895 . 3.990 3.929 3.865 4.135 0.145 1 0 "[ . 1 ]" 1
210 1 32 ALA MB 1 90 LEU HG 3.065 . 4.330 3.801 3.382 4.004 . 0 0 "[ . 1 ]" 1
211 1 28 LEU MD1 1 32 ALA MB 2.920 . 4.040 2.990 2.622 3.419 . 0 0 "[ . 1 ]" 1
212 1 13 ILE HB 1 14 TYR HA 3.265 . 4.730 4.562 4.424 4.801 0.071 1 0 "[ . 1 ]" 1
213 1 13 ILE HB 1 15 LEU HG 3.400 . 5.000 4.594 3.883 5.134 0.134 5 0 "[ . 1 ]" 1
214 1 13 ILE HB 1 51 VAL QG 3.575 . 5.350 4.267 3.945 4.526 . 0 0 "[ . 1 ]" 1
215 1 68 MET ME 1 68 MET QG 2.720 . 3.420 2.368 2.288 2.500 . 0 0 "[ . 1 ]" 1
216 1 68 MET ME 1 78 PRO QG 3.455 . 5.110 4.352 3.528 5.135 0.025 3 0 "[ . 1 ]" 1
217 1 68 MET ME 1 76 THR HB 3.650 . 5.500 5.342 4.769 5.841 0.341 1 0 "[ . 1 ]" 1
218 1 68 MET ME 1 71 ALA HA 3.630 . 5.460 5.150 4.593 5.508 0.048 4 0 "[ . 1 ]" 1
219 1 68 MET HA 1 68 MET ME 2.750 . 3.700 1.878 1.708 2.576 0.092 5 0 "[ . 1 ]" 1
220 1 68 MET ME 1 76 THR MG 3.650 . 5.500 5.109 4.792 5.712 0.212 1 0 "[ . 1 ]" 1
221 1 97 PRO QD 1 98 VAL HA 3.650 . 5.500 5.453 5.323 5.612 0.112 7 0 "[ . 1 ]" 1
222 1 98 VAL HA 1 98 VAL MG1 2.525 . 3.250 3.062 2.371 3.220 . 0 0 "[ . 1 ]" 1
223 1 96 VAL MG2 1 98 VAL HA 3.180 . 4.560 3.612 3.227 3.833 . 0 0 "[ . 1 ]" 1
224 1 5 SER HA 1 5 SER QB 2.265 . 2.730 2.334 2.180 2.398 . 0 0 "[ . 1 ]" 1
225 1 20 MET ME 1 53 GLU QG 3.605 . 5.410 3.941 2.425 4.711 . 0 0 "[ . 1 ]" 1
226 1 20 MET ME 1 52 MET QG 3.135 . 4.470 4.102 3.253 4.574 0.104 11 0 "[ . 1 ]" 1
227 1 20 MET ME 1 83 ILE QG 3.650 . 5.500 3.192 2.649 4.126 . 0 0 "[ . 1 ]" 1
228 1 20 MET ME 1 83 ILE HB 3.460 . 5.120 2.626 1.809 3.530 . 0 0 "[ . 1 ]" 1
229 1 51 VAL HB 1 83 ILE HB 3.600 . 5.400 3.168 2.664 4.409 . 0 0 "[ . 1 ]" 1
230 1 28 LEU MD2 1 83 ILE MD 2.790 . 3.780 1.920 1.712 2.354 0.088 1 0 "[ . 1 ]" 1
231 1 16 VAL HA 1 16 VAL MG1 2.535 . 3.270 2.308 2.217 2.355 . 0 0 "[ . 1 ]" 1
232 1 15 LEU HA 1 20 MET ME 3.650 . 5.500 3.413 2.983 3.932 . 0 0 "[ . 1 ]" 1
233 1 20 MET ME 1 52 MET HA 3.650 . 5.500 2.542 1.890 3.323 . 0 0 "[ . 1 ]" 1
234 1 20 MET ME 1 51 VAL HA 3.650 . 5.500 4.907 4.203 5.519 0.019 10 0 "[ . 1 ]" 1
235 1 20 MET HA 1 20 MET ME 3.260 . 4.720 3.607 2.884 4.257 . 0 0 "[ . 1 ]" 1
236 1 20 MET ME 1 20 MET QG 2.575 . 3.350 2.414 2.322 2.453 . 0 0 "[ . 1 ]" 1
237 1 20 MET QB 1 20 MET ME 2.245 . 2.690 1.995 1.816 2.205 . 0 0 "[ . 1 ]" 1
238 1 15 LEU QB 1 20 MET ME 2.475 . 3.150 2.307 1.972 2.642 . 0 0 "[ . 1 ]" 1
239 1 20 MET ME 1 83 ILE MG 3.045 . 4.290 3.479 2.888 4.335 0.045 9 0 "[ . 1 ]" 1
240 1 20 MET ME 1 83 ILE MD 2.545 . 3.290 2.458 1.858 3.109 . 0 0 "[ . 1 ]" 1
241 1 20 MET ME 1 28 LEU MD2 2.680 . 3.560 3.113 2.389 3.624 0.064 7 0 "[ . 1 ]" 1
242 1 15 LEU QD 1 20 MET ME 2.395 . 2.990 2.368 1.798 2.754 0.002 4 0 "[ . 1 ]" 1
243 1 51 VAL HB 1 83 ILE MD 2.835 . 3.870 2.542 1.889 3.613 . 0 0 "[ . 1 ]" 1
244 1 83 ILE HB 1 83 ILE MD 2.280 . 2.760 2.376 2.341 2.447 . 0 0 "[ . 1 ]" 1
245 1 83 ILE MD 1 83 ILE MG 2.540 . 3.280 3.239 3.227 3.253 . 0 0 "[ . 1 ]" 1
246 1 34 SER QB 1 35 LYS HA 3.120 . 4.440 4.080 3.898 4.294 . 0 0 "[ . 1 ]" 1
247 1 34 SER HA 1 34 SER QB 2.175 . 2.550 2.366 2.324 2.440 . 0 0 "[ . 1 ]" 1
248 1 62 SER QB 1 63 TRP QB 3.650 . 5.500 4.067 3.923 4.791 . 0 0 "[ . 1 ]" 1
249 1 13 ILE MD 1 37 PHE QB 2.380 . 2.960 1.888 1.726 2.146 0.074 10 0 "[ . 1 ]" 1
250 1 13 ILE MD 1 49 HIS QB 3.650 . 5.500 4.023 3.469 4.562 . 0 0 "[ . 1 ]" 1
251 1 13 ILE HB 1 13 ILE MD 2.270 . 2.740 2.395 2.323 2.481 . 0 0 "[ . 1 ]" 1
252 1 13 ILE MD 1 38 ARG QG 3.650 . 5.500 4.991 3.390 5.566 0.066 8 0 "[ . 1 ]" 1
253 1 13 ILE MD 1 48 THR MG 3.650 . 5.500 5.448 4.400 5.692 0.192 11 0 "[ . 1 ]" 1
254 1 13 ILE MD 1 32 ALA MB 2.865 . 3.930 3.088 2.326 3.672 . 0 0 "[ . 1 ]" 1
255 1 13 ILE MD 1 86 LEU QD 2.335 . 2.870 1.993 1.701 2.949 0.099 1 0 "[ . 1 ]" 1
256 1 89 SER QB 1 95 PRO HA 2.540 . 3.280 2.514 2.191 2.850 . 0 0 "[ . 1 ]" 1
257 1 95 PRO HA 1 96 VAL MG1 3.305 . 4.810 3.967 3.830 4.105 . 0 0 "[ . 1 ]" 1
258 1 23 SER HA 1 23 SER QB 2.140 . 2.480 2.286 2.169 2.423 . 0 0 "[ . 1 ]" 1
259 1 23 SER QB 1 26 ALA MB 3.480 . 5.160 4.802 4.271 5.173 0.013 6 0 "[ . 1 ]" 1
260 1 23 SER HA 1 26 ALA MB 2.965 . 4.130 3.288 2.784 3.829 . 0 0 "[ . 1 ]" 1
261 1 84 SER HA 1 88 GLU QG 3.615 . 5.430 4.248 3.659 4.902 . 0 0 "[ . 1 ]" 1
262 1 83 ILE HA 1 83 ILE MD 2.160 . 2.520 2.085 1.979 2.168 . 0 0 "[ . 1 ]" 1
263 1 83 ILE MD 1 84 SER HA 3.650 . 5.500 4.957 4.567 5.256 . 0 0 "[ . 1 ]" 1
264 1 53 GLU HA 1 53 GLU QG 2.860 . 3.920 2.978 2.421 3.349 . 0 0 "[ . 1 ]" 1
265 1 27 PHE HA 1 31 LEU HG 3.650 . 5.500 3.918 3.360 4.389 . 0 0 "[ . 1 ]" 1
266 1 84 SER HA 1 87 THR MG 3.130 . 4.460 3.623 3.167 3.993 . 0 0 "[ . 1 ]" 1
267 1 46 GLU HA 1 46 GLU QG 2.420 . 2.560 2.428 2.333 2.515 . 0 0 "[ . 1 ]" 1
268 1 27 PHE HA 1 28 LEU HA 3.650 . 5.500 4.698 4.641 4.749 . 0 0 "[ . 1 ]" 1
269 1 57 ALA MB 1 58 GLU QG 2.910 . 4.020 3.814 2.678 4.449 0.429 1 0 "[ . 1 ]" 1
270 1 88 GLU HA 1 88 GLU QG 2.180 . 2.560 2.396 2.192 2.783 0.223 8 0 "[ . 1 ]" 1
271 1 59 GLU QB 1 59 GLU QG 2.315 . 2.830 1.998 1.976 2.011 . 0 0 "[ . 1 ]" 1
272 1 22 ARG HA 1 26 ALA HA 3.650 . 5.500 5.630 5.544 6.000 0.500 1 1 "[+ . 1 ]" 1
273 1 22 ARG HA 1 25 ARG QD 3.650 . 5.500 3.788 2.602 5.064 . 0 0 "[ . 1 ]" 1
274 1 22 ARG HA 1 22 ARG QG 2.935 . 3.490 2.885 2.344 3.343 . 0 0 "[ . 1 ]" 1
275 1 65 GLU QB 1 65 GLU QG 2.295 . 2.550 2.008 1.990 2.082 . 0 0 "[ . 1 ]" 1
276 1 99 GLU HA 1 99 GLU QG 2.485 . 3.170 2.674 2.374 3.309 0.139 7 0 "[ . 1 ]" 1
277 1 64 GLN HA 1 65 GLU QG 3.650 . 5.500 5.339 5.199 5.534 0.034 9 0 "[ . 1 ]" 1
278 1 61 VAL MG1 1 65 GLU QG 3.650 . 5.500 3.032 2.766 3.319 . 0 0 "[ . 1 ]" 1
279 1 58 GLU HA 1 58 GLU QG 2.640 . 3.480 3.255 2.549 3.550 0.070 6 0 "[ . 1 ]" 1
280 1 58 GLU HA 1 58 GLU QB 2.410 . 3.020 2.187 2.136 2.277 . 0 0 "[ . 1 ]" 1
281 1 20 MET ME 1 25 ARG HA 3.480 . 5.160 4.461 3.060 5.010 . 0 0 "[ . 1 ]" 1
282 1 24 ARG QB 1 25 ARG HA 3.650 . 5.500 3.975 3.570 4.189 . 0 0 "[ . 1 ]" 1
283 1 57 ALA MB 1 58 GLU HA 2.815 . 3.830 3.659 3.536 3.748 . 0 0 "[ . 1 ]" 1
284 1 58 GLU HA 1 61 VAL HB 2.360 . 2.920 2.051 1.898 2.522 . 0 0 "[ . 1 ]" 1
285 1 25 ARG HA 1 28 LEU MD1 2.910 . 4.020 3.230 2.590 3.565 . 0 0 "[ . 1 ]" 1
286 1 58 GLU HA 1 61 VAL MG1 3.095 . 4.390 3.424 3.195 3.813 . 0 0 "[ . 1 ]" 1
287 1 20 MET QB 1 25 ARG HA 3.650 . 5.500 5.054 4.420 5.533 0.033 3 0 "[ . 1 ]" 1
288 1 65 GLU HA 1 65 GLU QG 2.240 . 2.680 2.733 2.442 2.886 0.206 3 0 "[ . 1 ]" 1
289 1 65 GLU HA 1 65 GLU QB 2.135 . 2.470 2.408 2.361 2.480 0.010 9 0 "[ . 1 ]" 1
290 1 24 ARG HA 1 24 ARG QD 3.095 . 4.390 3.305 2.147 4.063 . 0 0 "[ . 1 ]" 1
291 1 64 GLN HA 1 65 GLU HA 3.650 . 5.500 4.800 4.706 4.861 . 0 0 "[ . 1 ]" 1
292 1 66 ARG HA 1 66 ARG QB 2.255 . 2.710 2.398 2.333 2.448 . 0 0 "[ . 1 ]" 1
293 1 66 ARG HA 1 66 ARG QG 2.325 . 2.850 2.647 2.372 2.943 0.093 4 0 "[ . 1 ]" 1
294 1 65 GLU QB 1 66 ARG HA 3.650 . 5.500 3.950 3.713 4.107 . 0 0 "[ . 1 ]" 1
295 1 59 GLU HA 1 59 GLU QG 2.285 . 2.770 2.717 2.373 2.898 0.128 8 0 "[ . 1 ]" 1
296 1 59 GLU HA 1 59 GLU QB 2.350 . 2.900 2.408 2.368 2.444 . 0 0 "[ . 1 ]" 1
297 1 67 ARG HA 1 70 ALA MB 3.115 . 4.430 3.038 2.091 3.520 . 0 0 "[ . 1 ]" 1
298 1 67 ARG HA 1 67 ARG QG 2.540 . 3.280 2.626 2.188 3.353 0.073 2 0 "[ . 1 ]" 1
299 1 35 LYS QG 1 90 LEU HA 2.530 . 3.260 2.451 1.881 3.051 . 0 0 "[ . 1 ]" 1
300 1 90 LEU HA 1 90 LEU MD1 2.615 . 3.430 3.599 2.740 3.843 0.413 1 0 "[ . 1 ]" 1
301 1 51 VAL HB 1 86 LEU QB 3.360 . 4.920 3.843 3.463 4.661 . 0 0 "[ . 1 ]" 1
302 1 38 ARG QB 1 39 VAL HB 3.585 . 5.370 5.323 4.389 5.941 0.571 1 1 "[+ . 1 ]" 1
303 1 15 LEU QD 1 51 VAL HB 2.895 . 3.990 3.277 1.783 3.982 0.017 3 0 "[ . 1 ]" 1
304 1 15 LEU HA 1 51 VAL HB 3.650 . 5.500 4.454 2.527 5.256 . 0 0 "[ . 1 ]" 1
305 1 39 VAL HB 1 40 LEU HA 3.650 . 5.500 5.110 4.967 5.286 . 0 0 "[ . 1 ]" 1
306 1 101 ARG HA 1 101 ARG QB 2.370 . 2.940 2.381 2.167 2.513 . 0 0 "[ . 1 ]" 1
307 1 28 LEU HA 1 28 LEU MD1 2.835 . 3.870 3.606 3.530 3.688 . 0 0 "[ . 1 ]" 1
308 1 28 LEU HA 1 32 ALA MB 2.705 . 3.610 3.788 3.664 4.071 0.461 1 0 "[ . 1 ]" 1
309 1 28 LEU HA 1 28 LEU HG 2.805 . 3.810 3.648 3.619 3.686 . 0 0 "[ . 1 ]" 1
310 1 6 THR MG 1 39 VAL HB 2.610 . 3.420 2.696 2.200 3.480 0.060 2 0 "[ . 1 ]" 1
311 1 28 LEU HA 1 31 LEU QB 2.645 . 3.490 2.381 2.120 2.776 . 0 0 "[ . 1 ]" 1
312 1 7 ARG HA 1 7 ARG QG 2.180 . 2.560 2.333 2.255 2.498 . 0 0 "[ . 1 ]" 1
313 1 31 LEU HA 1 31 LEU QD 2.245 . 2.690 1.832 1.783 1.977 0.017 11 0 "[ . 1 ]" 1
314 1 57 ALA HA 1 105 GLU HA 3.100 . 4.400 2.912 2.139 3.735 . 0 0 "[ . 1 ]" 1
315 1 7 ARG HA 1 7 ARG QB 2.185 . 2.570 2.439 2.295 2.510 . 0 0 "[ . 1 ]" 1
316 1 11 VAL HB 1 95 PRO QB 3.650 . 5.500 3.895 3.342 4.346 . 0 0 "[ . 1 ]" 1
317 1 105 GLU HA 1 105 GLU QB 2.400 . 3.000 2.185 2.155 2.298 . 0 0 "[ . 1 ]" 1
318 1 57 ALA MB 1 105 GLU HA 2.530 . 3.260 2.430 2.023 3.366 0.106 1 0 "[ . 1 ]" 1
319 1 61 VAL MG2 1 105 GLU HA 2.505 . 3.210 2.798 2.479 3.106 . 0 0 "[ . 1 ]" 1
320 1 61 VAL MG1 1 105 GLU HA 3.600 . 5.400 5.282 4.940 5.481 0.081 9 0 "[ . 1 ]" 1
321 1 54 GLU HA 1 54 GLU QG 2.375 . 2.580 2.478 2.251 2.774 0.194 11 0 "[ . 1 ]" 1
322 1 68 MET HA 1 71 ALA HA 3.650 . 5.500 5.323 4.950 5.550 0.050 3 0 "[ . 1 ]" 1
323 1 104 LEU HA 1 105 GLU HA 3.650 . 5.500 4.725 4.218 4.935 . 0 0 "[ . 1 ]" 1
324 1 40 LEU QD 1 46 GLU HA 3.460 . 5.120 4.454 4.072 4.660 . 0 0 "[ . 1 ]" 1
325 1 86 LEU HA 1 86 LEU HG 2.760 . 3.720 3.159 3.121 3.213 . 0 0 "[ . 1 ]" 1
326 1 86 LEU HA 1 86 LEU QD 2.310 . 2.820 1.940 1.863 2.019 . 0 0 "[ . 1 ]" 1
327 1 86 LEU HA 1 89 SER QB 2.775 . 3.750 2.795 2.157 3.657 . 0 0 "[ . 1 ]" 1
328 1 35 LYS QB 1 35 LYS QG 2.375 . 2.950 1.990 1.961 2.005 . 0 0 "[ . 1 ]" 1
329 1 99 GLU QB 1 99 GLU QG 2.220 . 2.640 2.049 1.989 2.086 . 0 0 "[ . 1 ]" 1
330 1 67 ARG HA 1 68 MET HA 3.325 . 4.850 4.754 4.647 4.830 . 0 0 "[ . 1 ]" 1
331 1 46 GLU HA 1 47 ALA HA 3.455 . 5.110 4.789 4.694 4.861 . 0 0 "[ . 1 ]" 1
332 1 68 MET HA 1 71 ALA MB 2.320 . 2.840 2.626 2.264 2.867 0.027 10 0 "[ . 1 ]" 1
333 1 68 MET HA 1 68 MET QG 2.805 . 3.810 2.802 2.683 3.094 . 0 0 "[ . 1 ]" 1
334 1 52 MET HA 1 52 MET QG 2.835 . 3.870 2.589 2.254 3.471 . 0 0 "[ . 1 ]" 1
335 1 16 VAL HB 1 52 MET QG 3.650 . 5.500 3.326 1.929 4.403 . 0 0 "[ . 1 ]" 1
336 1 52 MET QG 1 60 ALA MB 2.880 . 3.960 3.323 1.910 4.145 0.185 8 0 "[ . 1 ]" 1
337 1 50 VAL HB 1 78 PRO QG 3.110 . 4.420 4.020 3.775 4.288 . 0 0 "[ . 1 ]" 1
338 1 16 VAL MG2 1 52 MET QG 2.810 . 3.820 2.220 1.769 3.390 0.031 11 0 "[ . 1 ]" 1
339 1 57 ALA HA 1 104 LEU MD1 3.010 . 4.220 3.365 2.357 3.736 . 0 0 "[ . 1 ]" 1
340 1 58 GLU QG 1 61 VAL HB 3.650 . 5.500 4.834 4.230 5.020 . 0 0 "[ . 1 ]" 1
341 1 68 MET QB 1 68 MET QG 2.190 . 2.580 2.002 1.971 2.016 . 0 0 "[ . 1 ]" 1
342 1 57 ALA HA 1 104 LEU HG 2.345 . 2.890 2.735 1.810 2.986 0.096 10 0 "[ . 1 ]" 1
343 1 26 ALA HA 1 28 LEU MD1 3.650 . 5.500 5.264 4.755 5.556 0.056 4 0 "[ . 1 ]" 1
344 1 67 ARG HA 1 68 MET QG 3.650 . 5.500 5.246 5.051 5.339 . 0 0 "[ . 1 ]" 1
345 1 57 ALA HA 1 104 LEU MD2 3.010 . 4.220 3.732 2.433 4.279 0.059 5 0 "[ . 1 ]" 1
346 1 59 GLU QB 1 60 ALA HA 3.140 . 4.480 3.830 3.762 3.945 . 0 0 "[ . 1 ]" 1
347 1 96 VAL MG2 1 98 VAL HB 3.650 . 5.500 4.677 3.859 5.555 0.055 3 0 "[ . 1 ]" 1
348 1 67 ARG QG 1 68 MET QB 3.650 . 5.500 5.061 4.129 6.015 0.515 1 1 "[+ . 1 ]" 1
349 1 49 HIS HA 1 78 PRO QB 2.935 . 4.070 3.670 2.949 4.165 0.095 6 0 "[ . 1 ]" 1
350 1 15 LEU QB 1 16 VAL HB 3.650 . 5.500 5.255 4.814 5.754 0.254 11 0 "[ . 1 ]" 1
351 1 45 SER HA 1 78 PRO QB 3.650 . 5.500 5.163 4.394 5.567 0.067 10 0 "[ . 1 ]" 1
352 1 26 ALA HA 1 29 THR MG 3.650 . 5.500 3.758 3.371 4.394 . 0 0 "[ . 1 ]" 1
353 1 60 ALA MB 1 61 VAL HB 3.400 . 5.000 4.835 4.645 4.956 . 0 0 "[ . 1 ]" 1
354 1 48 THR HA 1 78 PRO QB 3.315 . 4.110 2.193 1.775 2.960 0.025 11 0 "[ . 1 ]" 1
355 1 50 VAL HA 1 78 PRO QB 3.555 . 5.310 4.946 4.546 5.294 . 0 0 "[ . 1 ]" 1
356 1 65 GLU HA 1 68 MET QB 3.460 . 5.120 2.757 2.281 3.352 . 0 0 "[ . 1 ]" 1
357 1 68 MET QB 1 69 ALA MB 3.650 . 5.500 3.913 3.714 4.141 . 0 0 "[ . 1 ]" 1
358 1 68 MET QB 1 71 ALA MB 3.650 . 5.500 4.062 3.666 4.626 . 0 0 "[ . 1 ]" 1
359 1 32 ALA HA 1 37 PHE QD 3.540 . 5.280 2.421 2.135 2.964 . 0 0 "[ . 1 ]" 1
360 1 69 ALA HA 1 70 ALA H 2.640 . 3.480 3.461 3.427 3.486 0.006 10 0 "[ . 1 ]" 1
361 1 47 ALA HA 1 48 THR H 2.360 . 2.920 2.264 2.170 2.415 . 0 0 "[ . 1 ]" 1
362 1 37 PHE HZ 1 94 GLN HA 3.650 . 5.500 3.383 2.995 3.737 . 0 0 "[ . 1 ]" 1
363 1 75 CYS H 1 75 CYS QB 2.415 . 3.030 2.418 2.255 2.718 . 0 0 "[ . 1 ]" 1
364 1 32 ALA H 1 35 LYS QG 3.585 . 5.370 3.990 3.828 4.188 . 0 0 "[ . 1 ]" 1
365 1 15 LEU QD 1 51 VAL H 3.565 . 5.330 3.833 3.372 4.487 . 0 0 "[ . 1 ]" 1
366 1 27 PHE QE 1 31 LEU QD 2.535 . 3.270 2.359 2.173 2.470 . 0 0 "[ . 1 ]" 1
367 1 65 GLU H 1 80 LEU QD 3.540 . 5.280 4.442 4.150 4.641 . 0 0 "[ . 1 ]" 1
368 1 63 TRP HD1 1 80 LEU QD 3.650 . 5.500 2.267 2.000 2.563 . 0 0 "[ . 1 ]" 1
369 1 50 VAL H 1 80 LEU QD 3.650 . 5.500 4.278 3.843 4.679 . 0 0 "[ . 1 ]" 1
370 1 61 VAL H 1 61 VAL MG2 2.345 . 2.890 2.380 2.188 2.479 . 0 0 "[ . 1 ]" 1
371 1 59 GLU H 1 61 VAL MG2 3.375 . 4.950 4.876 4.556 4.990 0.040 5 0 "[ . 1 ]" 1
372 1 91 GLY QA 1 92 ALA H 2.430 . 3.060 2.670 2.586 2.845 . 0 0 "[ . 1 ]" 1
373 1 91 GLY H 1 91 GLY QA 2.285 . 2.770 2.211 2.191 2.270 . 0 0 "[ . 1 ]" 1
374 1 32 ALA H 1 86 LEU QD 3.650 . 5.500 4.390 4.096 4.724 . 0 0 "[ . 1 ]" 1
375 1 86 LEU QD 1 90 LEU H 3.650 . 5.500 3.550 3.271 4.008 . 0 0 "[ . 1 ]" 1
376 1 85 TRP HZ3 1 86 LEU QD 3.495 . 5.190 2.112 1.888 2.473 . 0 0 "[ . 1 ]" 1
377 1 14 TYR QD 1 50 VAL MG1 2.770 . 3.740 3.032 2.301 3.739 . 0 0 "[ . 1 ]" 1
378 1 32 ALA H 1 90 LEU MD1 3.075 . 4.350 2.984 2.711 3.447 . 0 0 "[ . 1 ]" 1
379 1 37 PHE QD 1 90 LEU MD1 3.650 . 5.500 4.607 3.130 4.965 . 0 0 "[ . 1 ]" 1
380 1 87 THR MG 1 88 GLU H 3.005 . 4.210 4.021 3.871 4.196 . 0 0 "[ . 1 ]" 1
381 1 51 VAL H 1 51 VAL QG 2.445 . 3.090 2.038 1.768 2.430 0.032 1 0 "[ . 1 ]" 1
382 1 14 TYR QD 1 50 VAL MG2 2.770 . 3.740 3.017 2.417 3.519 . 0 0 "[ . 1 ]" 1
383 1 28 LEU MD1 1 85 TRP HZ3 3.650 . 5.500 5.630 5.515 6.154 0.654 1 1 "[+ . 1 ]" 1
384 1 27 PHE QE 1 28 LEU MD2 2.880 . 3.960 3.816 3.517 4.046 0.086 7 0 "[ . 1 ]" 1
385 1 27 PHE QD 1 28 LEU MD2 2.660 . 3.520 3.251 2.856 3.572 0.052 4 0 "[ . 1 ]" 1
386 1 92 ALA H 1 96 VAL MG1 3.320 . 4.840 4.059 3.754 4.306 . 0 0 "[ . 1 ]" 1
387 1 96 VAL H 1 96 VAL MG1 2.505 . 3.210 2.219 2.120 2.321 . 0 0 "[ . 1 ]" 1
388 1 89 SER H 1 96 VAL MG1 3.650 . 5.500 3.947 3.475 4.499 . 0 0 "[ . 1 ]" 1
389 1 16 VAL MG2 1 17 GLU H 3.635 . 5.470 4.189 3.887 4.357 . 0 0 "[ . 1 ]" 1
390 1 98 VAL H 1 98 VAL MG2 2.850 . 3.900 3.464 2.036 3.790 . 0 0 "[ . 1 ]" 1
391 1 85 TRP HD1 1 98 VAL MG2 3.650 . 5.500 3.030 2.034 3.618 . 0 0 "[ . 1 ]" 1
392 1 42 ALA H 1 42 ALA MB 2.585 . 3.370 2.459 2.248 2.895 . 0 0 "[ . 1 ]" 1
393 1 61 VAL H 1 61 VAL MG1 2.795 . 3.790 3.734 3.668 3.764 . 0 0 "[ . 1 ]" 1
394 1 11 VAL H 1 11 VAL MG1 2.875 . 3.950 3.329 1.902 3.884 . 0 0 "[ . 1 ]" 1
395 1 12 ALA H 1 48 THR MG 2.565 . 3.330 1.896 1.723 2.153 0.077 11 0 "[ . 1 ]" 1
396 1 48 THR H 1 48 THR MG 2.560 . 3.320 2.189 1.918 2.518 . 0 0 "[ . 1 ]" 1
397 1 48 THR MG 1 49 HIS H 2.975 . 4.150 3.585 3.201 4.138 . 0 0 "[ . 1 ]" 1
398 1 55 THR MG 1 59 GLU H 3.145 . 4.490 3.981 3.745 4.381 . 0 0 "[ . 1 ]" 1
399 1 12 ALA MB 1 48 THR H 2.610 . 3.420 2.239 1.794 2.662 0.006 2 0 "[ . 1 ]" 1
400 1 6 THR H 1 6 THR MG 2.550 . 3.300 2.541 2.175 2.865 . 0 0 "[ . 1 ]" 1
401 1 12 ALA H 1 12 ALA MB 2.610 . 3.420 2.371 2.258 2.469 . 0 0 "[ . 1 ]" 1
402 1 11 VAL MG2 1 12 ALA H 3.420 . 5.040 3.736 2.380 4.331 . 0 0 "[ . 1 ]" 1
403 1 60 ALA MB 1 64 GLN H 3.250 . 4.700 4.242 4.110 4.480 . 0 0 "[ . 1 ]" 1
404 1 60 ALA MB 1 63 TRP H 3.095 . 4.390 4.505 4.435 4.590 0.200 10 0 "[ . 1 ]" 1
405 1 60 ALA MB 1 63 TRP HD1 2.560 . 3.320 2.854 2.449 3.345 0.025 1 0 "[ . 1 ]" 1
406 1 60 ALA H 1 60 ALA MB 2.335 . 2.870 2.274 2.247 2.303 . 0 0 "[ . 1 ]" 1
407 1 60 ALA MB 1 61 VAL H 2.440 . 3.080 2.897 2.739 3.055 . 0 0 "[ . 1 ]" 1
408 1 70 ALA MB 1 71 ALA H 2.710 . 3.620 2.925 2.743 3.332 . 0 0 "[ . 1 ]" 1
409 1 7 ARG QD 1 8 PHE QD 3.390 . 4.980 4.350 3.820 5.078 0.098 4 0 "[ . 1 ]" 1
410 1 92 ALA H 1 92 ALA MB 2.330 . 2.860 2.262 2.220 2.347 . 0 0 "[ . 1 ]" 1
411 1 47 ALA MB 1 48 THR H 2.700 . 3.600 2.864 2.297 3.521 . 0 0 "[ . 1 ]" 1
412 1 47 ALA H 1 47 ALA MB 2.290 . 2.780 2.245 2.230 2.264 . 0 0 "[ . 1 ]" 1
413 1 71 ALA H 1 71 ALA MB 2.275 . 2.750 2.309 2.265 2.334 . 0 0 "[ . 1 ]" 1
414 1 79 ALA MB 1 80 LEU H 2.620 . 3.440 3.311 3.078 3.492 0.052 6 0 "[ . 1 ]" 1
415 1 84 SER H 1 86 LEU QB 3.650 . 5.500 5.154 4.408 5.502 0.002 6 0 "[ . 1 ]" 1
416 1 83 ILE MG 1 84 SER H 2.940 . 4.080 2.862 2.401 3.963 . 0 0 "[ . 1 ]" 1
417 1 83 ILE H 1 83 ILE MG 2.720 . 3.640 2.040 1.796 2.248 0.004 4 0 "[ . 1 ]" 1
418 1 69 ALA H 1 69 ALA MB 2.265 . 2.730 2.232 2.205 2.275 . 0 0 "[ . 1 ]" 1
419 1 69 ALA MB 1 70 ALA H 2.750 . 3.700 2.887 2.803 2.974 . 0 0 "[ . 1 ]" 1
420 1 13 ILE H 1 13 ILE MG 3.650 . 5.500 3.837 3.747 3.924 . 0 0 "[ . 1 ]" 1
421 1 31 LEU QB 1 32 ALA H 3.650 . 5.500 2.379 2.238 2.463 . 0 0 "[ . 1 ]" 1
422 1 57 ALA H 1 57 ALA MB 2.345 . 2.890 2.205 2.163 2.230 . 0 0 "[ . 1 ]" 1
423 1 96 VAL H 1 96 VAL MG2 2.455 . 3.110 2.010 1.959 2.074 . 0 0 "[ . 1 ]" 1
424 1 85 TRP HD1 1 96 VAL MG2 2.565 . 3.330 2.575 2.201 2.998 . 0 0 "[ . 1 ]" 1
425 1 26 ALA MB 1 27 PHE H 2.490 . 3.180 2.493 2.186 2.973 . 0 0 "[ . 1 ]" 1
426 1 26 ALA H 1 26 ALA MB 2.395 . 2.990 2.237 2.211 2.339 . 0 0 "[ . 1 ]" 1
427 1 32 ALA MB 1 37 PHE QD 3.055 . 4.310 2.359 2.007 2.708 . 0 0 "[ . 1 ]" 1
428 1 16 VAL HA 1 17 GLU H 2.445 . 3.090 2.184 2.067 2.288 . 0 0 "[ . 1 ]" 1
429 1 62 SER H 1 62 SER QB 2.290 . 2.780 2.444 2.211 2.608 . 0 0 "[ . 1 ]" 1
430 1 34 SER H 1 34 SER QB 2.385 . 2.970 2.387 2.232 2.517 . 0 0 "[ . 1 ]" 1
431 1 13 ILE H 1 13 ILE MD 3.220 . 4.640 3.588 2.071 4.133 . 0 0 "[ . 1 ]" 1
432 1 13 ILE MD 1 37 PHE QD 2.640 . 3.480 2.555 1.898 3.042 . 0 0 "[ . 1 ]" 1
433 1 13 ILE MD 1 85 TRP HZ3 2.820 . 3.840 2.530 2.121 3.529 . 0 0 "[ . 1 ]" 1
434 1 13 ILE MD 1 85 TRP HH2 2.845 . 3.890 2.252 1.914 2.767 . 0 0 "[ . 1 ]" 1
435 1 95 PRO HA 1 96 VAL H 2.340 . 2.880 2.227 2.142 2.334 . 0 0 "[ . 1 ]" 1
436 1 54 GLU H 1 54 GLU QG 3.065 . 3.610 2.800 2.579 3.859 0.249 3 0 "[ . 1 ]" 1
437 1 58 GLU H 1 58 GLU QG 2.460 . 3.120 2.374 1.743 3.135 0.057 3 0 "[ . 1 ]" 1
438 1 63 TRP HD1 1 64 GLN HA 3.035 . 4.270 3.904 3.605 4.123 . 0 0 "[ . 1 ]" 1
439 1 39 VAL H 1 39 VAL HB 2.430 . 3.060 2.491 2.285 2.825 . 0 0 "[ . 1 ]" 1
440 1 51 VAL H 1 51 VAL HB 2.635 . 3.470 3.508 2.756 3.763 0.293 5 0 "[ . 1 ]" 1
441 1 31 LEU HA 1 34 SER H 3.040 . 4.280 3.594 3.311 3.835 . 0 0 "[ . 1 ]" 1
442 1 54 GLU H 1 54 GLU HA 2.330 . 2.860 2.274 2.251 2.283 . 0 0 "[ . 1 ]" 1
443 1 54 GLU HA 1 55 THR H 2.545 . 3.290 2.822 2.550 3.132 . 0 0 "[ . 1 ]" 1
444 1 98 VAL H 1 98 VAL HB 2.305 . 2.810 2.677 2.536 2.788 . 0 0 "[ . 1 ]" 1
445 1 60 ALA HA 1 63 TRP HD1 3.195 . 4.590 3.137 2.957 3.474 . 0 0 "[ . 1 ]" 1
446 1 67 ARG H 1 68 MET QG 3.650 . 5.500 4.452 4.207 4.752 . 0 0 "[ . 1 ]" 1
447 1 61 VAL H 1 61 VAL HB 2.285 . 2.770 2.385 2.263 2.473 . 0 0 "[ . 1 ]" 1
448 1 103 ARG QB 1 103 ARG HE 3.470 . 4.290 2.595 1.878 4.005 . 0 0 "[ . 1 ]" 1
449 1 14 TYR QE 1 16 VAL MG1 3.650 . 5.500 3.750 2.296 4.718 . 0 0 "[ . 1 ]" 1
450 1 85 TRP HZ2 1 95 PRO QB 2.460 . 3.120 2.781 2.453 3.090 . 0 0 "[ . 1 ]" 1
451 1 11 VAL HB 1 37 PHE QD 3.650 . 5.500 3.307 1.919 5.551 0.051 4 0 "[ . 1 ]" 1
452 1 35 LYS QB 1 37 PHE QD 3.650 . 5.500 2.466 2.120 2.873 . 0 0 "[ . 1 ]" 1
453 1 32 ALA HA 1 35 LYS QD 3.510 . 5.220 4.616 4.504 4.840 . 0 0 "[ . 1 ]" 1
454 1 40 LEU HA 1 40 LEU QD 2.215 . 2.630 1.861 1.777 2.028 0.023 5 0 "[ . 1 ]" 1
455 1 55 THR HA 1 55 THR MG 2.400 . 3.000 2.357 2.146 2.449 . 0 0 "[ . 1 ]" 1
456 1 55 THR HA 1 59 GLU QG 2.660 . 3.520 3.368 3.056 3.578 0.058 2 0 "[ . 1 ]" 1
457 1 54 GLU HA 1 55 THR HA 3.315 . 4.830 4.497 4.377 4.756 . 0 0 "[ . 1 ]" 1
458 1 55 THR HA 1 59 GLU QB 2.900 . 4.000 3.148 2.732 3.372 . 0 0 "[ . 1 ]" 1
459 1 23 SER QB 1 24 ARG H 3.455 . 5.110 2.743 2.188 3.336 . 0 0 "[ . 1 ]" 1
460 1 14 TYR QE 1 42 ALA MB 3.590 . 5.380 4.013 2.570 5.426 0.046 4 0 "[ . 1 ]" 1
461 1 35 LYS H 1 35 LYS QD 3.650 . 5.500 3.587 3.196 4.020 . 0 0 "[ . 1 ]" 1
462 1 13 ILE H 1 38 ARG QD 3.650 . 5.500 4.038 3.182 5.471 . 0 0 "[ . 1 ]" 1
463 1 85 TRP HD1 1 98 VAL H 3.640 . 5.480 4.246 3.759 5.018 . 0 0 "[ . 1 ]" 1
464 1 8 PHE H 1 8 PHE QD 3.590 . 5.380 4.178 3.273 4.413 . 0 0 "[ . 1 ]" 1
465 1 8 PHE QD 1 37 PHE H 3.650 . 5.500 4.841 4.254 5.396 . 0 0 "[ . 1 ]" 1
466 1 8 PHE HA 1 8 PHE QD 3.115 . 4.430 2.597 2.026 2.796 . 0 0 "[ . 1 ]" 1
467 1 14 TYR HA 1 14 TYR QD 3.445 . 5.090 2.740 2.327 3.197 . 0 0 "[ . 1 ]" 1
468 1 27 PHE HB2 1 28 LEU H 3.435 . 5.070 4.114 3.992 4.213 . 0 0 "[ . 1 ]" 1
469 1 27 PHE QD 1 28 LEU H 3.650 . 5.500 2.465 2.278 2.671 . 0 0 "[ . 1 ]" 1
470 1 14 TYR QE 1 16 VAL HA 3.340 . 4.880 3.332 2.466 4.180 . 0 0 "[ . 1 ]" 1
471 1 14 TYR QE 1 42 ALA HA 3.250 . 4.700 3.331 1.763 4.760 0.060 4 0 "[ . 1 ]" 1
472 1 14 TYR QE 1 63 TRP HZ2 3.470 . 5.140 2.090 1.786 2.818 0.014 10 0 "[ . 1 ]" 1
473 1 8 PHE QD 1 37 PHE QD 3.520 . 5.240 4.138 3.720 4.509 . 0 0 "[ . 1 ]" 1
474 1 27 PHE HA 1 27 PHE QE 3.565 . 5.330 5.230 5.078 5.370 0.040 4 0 "[ . 1 ]" 1
475 1 27 PHE HA 1 27 PHE QD 2.705 . 3.610 3.288 3.079 3.454 . 0 0 "[ . 1 ]" 1
476 1 8 PHE QE 1 37 PHE QD 3.650 . 5.500 5.236 4.487 5.615 0.115 6 0 "[ . 1 ]" 1
477 1 14 TYR QD 1 63 TRP HH2 3.225 . 4.650 4.335 3.847 4.730 0.080 1 0 "[ . 1 ]" 1
478 1 85 TRP HE3 1 86 LEU H 3.650 . 5.500 2.869 2.517 3.307 . 0 0 "[ . 1 ]" 1
479 1 85 TRP HE3 1 86 LEU QB 3.650 . 5.500 2.274 2.182 2.440 . 0 0 "[ . 1 ]" 1
480 1 51 VAL QG 1 85 TRP HE3 3.355 . 4.910 1.977 1.758 2.493 0.042 6 0 "[ . 1 ]" 1
481 1 13 ILE MG 1 85 TRP HE3 3.165 . 4.530 3.734 3.484 4.434 . 0 0 "[ . 1 ]" 1
482 1 85 TRP HZ2 1 96 VAL H 3.470 . 5.140 4.603 4.314 4.933 . 0 0 "[ . 1 ]" 1
483 1 85 TRP HZ2 1 95 PRO HA 3.650 . 5.500 3.326 2.774 3.633 . 0 0 "[ . 1 ]" 1
484 1 85 TRP HE3 1 86 LEU HA 3.450 . 5.100 3.136 2.972 3.371 . 0 0 "[ . 1 ]" 1
485 1 13 ILE MG 1 85 TRP HZ3 3.295 . 4.790 2.129 1.838 2.854 . 0 0 "[ . 1 ]" 1
486 1 13 ILE MG 1 85 TRP HH2 3.650 . 5.500 3.446 3.155 4.059 . 0 0 "[ . 1 ]" 1
487 1 50 VAL MG2 1 63 TRP HH2 3.650 . 5.500 5.650 5.544 6.400 0.900 1 1 "[+ . 1 ]" 1
488 1 11 VAL MG2 1 85 TRP HE1 3.650 . 5.500 5.292 4.192 6.248 0.748 1 1 "[+ . 1 ]" 1
489 1 38 ARG HA 1 39 VAL HB 3.360 . 4.920 4.546 4.348 4.777 . 0 0 "[ . 1 ]" 1
490 1 40 LEU HA 1 47 ALA HA 3.650 . 5.500 5.497 5.090 5.596 0.096 3 0 "[ . 1 ]" 1
491 1 85 TRP HD1 1 98 VAL HA 3.650 . 5.500 2.850 2.376 3.516 . 0 0 "[ . 1 ]" 1
492 1 98 VAL HA 1 102 HIS H 3.650 . 5.500 5.329 4.992 5.582 0.082 5 0 "[ . 1 ]" 1
493 1 83 ILE HA 1 86 LEU H 3.650 . 5.500 3.399 3.174 3.947 . 0 0 "[ . 1 ]" 1
494 1 24 ARG HE 1 83 ILE HA 3.650 . 5.500 5.608 5.500 5.771 0.271 8 0 "[ . 1 ]" 1
495 1 87 THR HA 1 90 LEU H 3.650 . 5.500 3.555 3.257 3.882 . 0 0 "[ . 1 ]" 1
496 1 85 TRP HH2 1 95 PRO QB 3.650 . 5.500 4.213 3.607 4.712 . 0 0 "[ . 1 ]" 1
497 1 13 ILE HA 1 13 ILE MD 3.650 . 5.500 3.825 3.066 3.962 . 0 0 "[ . 1 ]" 1
498 1 13 ILE MD 1 37 PHE HA 3.650 . 5.500 3.779 3.075 4.467 . 0 0 "[ . 1 ]" 1
499 1 13 ILE MD 1 37 PHE QE 3.650 . 5.500 3.962 3.601 4.527 . 0 0 "[ . 1 ]" 1
500 1 13 ILE MD 1 14 TYR H 3.650 . 5.500 5.306 4.837 5.510 0.010 6 0 "[ . 1 ]" 1
501 1 11 VAL MG2 1 37 PHE QE 3.650 . 5.500 3.661 2.972 4.345 . 0 0 "[ . 1 ]" 1
502 1 11 VAL MG2 1 89 SER QB 3.650 . 5.500 5.627 5.511 6.073 0.573 1 1 "[+ . 1 ]" 1
503 1 11 VAL MG2 1 85 TRP HZ2 3.650 . 5.500 3.414 2.245 4.360 . 0 0 "[ . 1 ]" 1
504 1 80 LEU H 1 80 LEU HG 3.650 . 5.500 4.536 4.321 4.639 . 0 0 "[ . 1 ]" 1
505 1 80 LEU HG 1 105 GLU HA 3.650 . 5.500 4.520 4.065 5.260 . 0 0 "[ . 1 ]" 1
506 1 60 ALA HA 1 80 LEU HG 3.650 . 5.500 5.176 4.982 5.451 . 0 0 "[ . 1 ]" 1
507 1 11 VAL MG1 1 85 TRP HZ2 3.650 . 5.500 2.929 2.430 3.690 . 0 0 "[ . 1 ]" 1
508 1 85 TRP HE3 1 86 LEU QD 3.650 . 5.500 3.176 3.024 3.396 . 0 0 "[ . 1 ]" 1
509 1 85 TRP HH2 1 86 LEU QD 3.650 . 5.500 3.086 2.983 3.589 . 0 0 "[ . 1 ]" 1
510 1 85 TRP HE1 1 86 LEU QD 3.650 . 5.500 5.562 5.351 6.026 0.526 1 1 "[+ . 1 ]" 1
511 1 13 ILE HA 1 86 LEU QD 3.650 . 5.500 4.836 4.566 5.186 . 0 0 "[ . 1 ]" 1
512 1 32 ALA HA 1 86 LEU QD 3.650 . 5.500 3.930 3.715 4.290 . 0 0 "[ . 1 ]" 1
513 1 86 LEU QD 1 87 THR HA 3.650 . 5.500 4.288 4.216 4.416 . 0 0 "[ . 1 ]" 1
514 1 85 TRP HZ2 1 96 VAL MG2 3.650 . 5.500 4.752 4.548 5.044 . 0 0 "[ . 1 ]" 1
515 1 88 GLU QG 1 96 VAL MG2 3.650 . 5.500 4.540 3.742 5.162 . 0 0 "[ . 1 ]" 1
516 1 51 VAL QG 1 85 TRP HZ3 3.650 . 5.500 2.771 2.206 2.979 . 0 0 "[ . 1 ]" 1
517 1 35 LYS HA 1 37 PHE QE 3.650 . 5.500 5.031 4.737 5.326 . 0 0 "[ . 1 ]" 1
518 1 37 PHE QE 1 89 SER HA 3.650 . 5.500 4.711 4.371 5.058 . 0 0 "[ . 1 ]" 1
519 1 37 PHE QE 1 94 GLN HA 3.650 . 5.500 3.709 3.237 4.133 . 0 0 "[ . 1 ]" 1
520 1 37 PHE QE 1 95 PRO HA 3.650 . 5.500 2.124 1.760 2.659 0.040 7 0 "[ . 1 ]" 1
521 1 32 ALA HA 1 37 PHE QE 3.650 . 5.500 3.426 2.944 3.892 . 0 0 "[ . 1 ]" 1
522 1 37 PHE QE 1 90 LEU HA 3.650 . 5.500 2.650 2.236 3.336 . 0 0 "[ . 1 ]" 1
523 1 37 PHE QE 1 89 SER QB 3.650 . 5.500 2.862 2.554 3.397 . 0 0 "[ . 1 ]" 1
524 1 37 PHE QE 1 95 PRO QD 3.650 . 5.500 2.598 1.997 3.563 . 0 0 "[ . 1 ]" 1
525 1 35 LYS QB 1 37 PHE QE 3.650 . 5.500 2.354 2.144 2.618 . 0 0 "[ . 1 ]" 1
526 1 37 PHE QE 1 95 PRO QB 3.650 . 5.500 2.172 1.848 2.686 . 0 0 "[ . 1 ]" 1
527 1 35 LYS QD 1 37 PHE QE 3.650 . 5.500 4.282 3.815 4.651 . 0 0 "[ . 1 ]" 1
528 1 11 VAL MG1 1 37 PHE QE 3.650 . 5.500 3.419 2.743 4.502 . 0 0 "[ . 1 ]" 1
529 1 37 PHE QE 1 86 LEU HG 3.650 . 5.500 5.504 5.290 5.956 0.456 1 0 "[ . 1 ]" 1
530 1 37 PHE QE 1 86 LEU QD 3.650 . 5.500 3.577 3.309 3.942 . 0 0 "[ . 1 ]" 1
531 1 35 LYS QG 1 37 PHE QE 3.650 . 5.500 3.096 2.637 3.629 . 0 0 "[ . 1 ]" 1
532 1 8 PHE QD 1 37 PHE QE 3.650 . 5.500 5.350 4.441 5.589 0.089 10 0 "[ . 1 ]" 1
533 1 24 ARG QD 1 27 PHE QD 3.650 . 5.500 3.350 2.327 4.651 . 0 0 "[ . 1 ]" 1
534 1 83 ILE MD 1 87 THR HA 3.650 . 5.500 4.918 4.624 5.295 . 0 0 "[ . 1 ]" 1
535 1 83 ILE MD 1 86 LEU HA 3.650 . 5.500 4.628 4.426 5.078 . 0 0 "[ . 1 ]" 1
536 1 52 MET HA 1 83 ILE MD 3.650 . 5.500 4.674 3.959 5.511 0.011 3 0 "[ . 1 ]" 1
537 1 53 GLU HA 1 83 ILE MD 3.650 . 5.500 5.292 4.852 5.599 0.099 5 0 "[ . 1 ]" 1
538 1 51 VAL HA 1 83 ILE MD 3.650 . 5.500 4.577 4.061 4.959 . 0 0 "[ . 1 ]" 1
539 1 53 GLU H 1 83 ILE MD 3.650 . 5.500 5.304 4.341 5.643 0.143 7 0 "[ . 1 ]" 1
540 1 14 TYR QD 1 40 LEU QD 3.650 . 5.500 2.491 1.771 4.017 0.029 11 0 "[ . 1 ]" 1
541 1 8 PHE QD 1 37 PHE HA 3.650 . 5.500 2.893 2.179 3.986 . 0 0 "[ . 1 ]" 1
542 1 6 THR HA 1 39 VAL HA 3.650 . 5.500 5.423 4.890 5.634 0.134 4 0 "[ . 1 ]" 1
543 1 81 LEU H 1 103 ARG HA 3.650 . 5.500 4.978 4.217 5.590 0.090 7 0 "[ . 1 ]" 1
544 1 32 ALA HA 1 86 LEU HG 3.650 . 5.500 5.377 4.831 5.576 0.076 8 0 "[ . 1 ]" 1
545 1 49 HIS HA 1 51 VAL H 3.650 . 5.500 5.606 5.319 5.803 0.303 11 0 "[ . 1 ]" 1
546 1 89 SER HA 1 96 VAL MG1 3.650 . 5.500 2.212 1.945 2.509 . 0 0 "[ . 1 ]" 1
547 1 62 SER HA 1 65 GLU QG 3.650 . 5.500 2.865 2.310 3.649 . 0 0 "[ . 1 ]" 1
548 1 61 VAL MG1 1 62 SER HA 3.650 . 5.500 3.291 3.070 3.515 . 0 0 "[ . 1 ]" 1
549 1 68 MET ME 1 76 THR HA 3.650 . 5.500 4.216 3.321 4.831 . 0 0 "[ . 1 ]" 1
550 1 28 LEU QB 1 87 THR HA 3.650 . 5.500 4.744 4.416 4.986 . 0 0 "[ . 1 ]" 1
551 1 87 THR HA 1 90 LEU QB 3.650 . 5.500 2.738 2.341 3.133 . 0 0 "[ . 1 ]" 1
552 1 68 MET ME 1 69 ALA H 3.650 . 5.500 4.843 4.717 5.197 . 0 0 "[ . 1 ]" 1
553 1 68 MET H 1 68 MET ME 3.650 . 5.500 3.637 3.182 4.424 . 0 0 "[ . 1 ]" 1
554 1 20 MET QB 1 21 GLY H 3.650 . 5.500 3.218 1.900 3.970 . 0 0 "[ . 1 ]" 1
555 1 20 MET ME 1 83 ILE HA 3.650 . 5.500 4.242 3.729 5.106 . 0 0 "[ . 1 ]" 1
556 1 20 MET ME 1 51 VAL H 3.650 . 5.500 4.775 4.385 5.146 . 0 0 "[ . 1 ]" 1
557 1 72 PRO QB 1 75 CYS QB 3.650 . 5.500 3.874 2.857 4.978 . 0 0 "[ . 1 ]" 1
558 1 50 VAL HB 1 79 ALA MB 3.650 . 5.500 4.994 4.524 5.382 . 0 0 "[ . 1 ]" 1
559 1 78 PRO QB 1 79 ALA MB 3.650 . 5.500 3.742 3.580 3.881 . 0 0 "[ . 1 ]" 1
560 1 50 VAL H 1 79 ALA MB 3.650 . 5.500 3.329 2.993 3.686 . 0 0 "[ . 1 ]" 1
561 1 29 THR MG 1 30 GLY QA 3.650 . 5.500 3.248 3.009 3.517 . 0 0 "[ . 1 ]" 1
562 1 6 THR MG 1 7 ARG HA 3.650 . 5.500 5.474 4.682 5.749 0.249 1 0 "[ . 1 ]" 1
563 1 6 THR MG 1 38 ARG HA 3.650 . 5.500 3.260 2.633 4.086 . 0 0 "[ . 1 ]" 1
564 1 25 ARG QB 1 29 THR MG 3.650 . 5.500 5.526 4.751 5.752 0.252 1 0 "[ . 1 ]" 1
565 1 25 ARG HA 1 26 ALA MB 3.650 . 5.500 5.036 4.963 5.068 . 0 0 "[ . 1 ]" 1
566 1 58 GLU HA 1 60 ALA MB 3.650 . 5.500 5.196 4.976 5.508 0.008 8 0 "[ . 1 ]" 1
567 1 25 ARG HA 1 28 LEU MD2 3.650 . 5.500 1.982 1.792 2.325 0.008 4 0 "[ . 1 ]" 1
568 1 58 GLU HA 1 61 VAL HA 3.650 . 5.500 4.827 4.576 5.273 . 0 0 "[ . 1 ]" 1
569 1 60 ALA MB 1 63 TRP QB 3.650 . 5.500 3.327 3.051 3.667 . 0 0 "[ . 1 ]" 1
570 1 51 VAL HB 1 83 ILE HA 3.650 . 5.500 2.249 1.671 4.182 0.129 9 0 "[ . 1 ]" 1
571 1 27 PHE QD 1 28 LEU HG 3.650 . 5.500 4.151 3.654 4.479 . 0 0 "[ . 1 ]" 1
572 1 63 TRP H 1 80 LEU QD 3.650 . 5.500 4.451 4.073 4.671 . 0 0 "[ . 1 ]" 1
573 1 64 GLN H 1 80 LEU QD 3.650 . 5.500 3.004 2.839 3.189 . 0 0 "[ . 1 ]" 1
574 1 85 TRP HD1 1 98 VAL MG1 3.650 . 5.500 4.108 3.282 4.625 . 0 0 "[ . 1 ]" 1
575 1 58 GLU HA 1 60 ALA H 3.650 . 5.500 4.441 4.209 4.757 . 0 0 "[ . 1 ]" 1
576 1 53 GLU QG 1 83 ILE MD 3.650 . 5.500 5.360 4.367 6.108 0.608 1 1 "[+ . 1 ]" 1
577 1 27 PHE QD 1 31 LEU QD 3.650 . 5.500 2.695 2.219 3.060 . 0 0 "[ . 1 ]" 1
578 1 15 LEU QD 1 16 VAL HA 3.650 . 5.500 5.459 5.276 5.552 0.052 3 0 "[ . 1 ]" 1
579 1 15 LEU QD 1 28 LEU HA 3.650 . 5.500 5.521 5.438 5.612 0.112 4 0 "[ . 1 ]" 1
580 1 15 LEU QD 1 29 THR H 3.650 . 5.500 4.669 4.165 5.378 . 0 0 "[ . 1 ]" 1
581 1 15 LEU QD 1 86 LEU QB 3.650 . 5.500 3.784 3.568 4.246 . 0 0 "[ . 1 ]" 1
582 1 13 ILE H 1 15 LEU QD 3.650 . 5.500 5.135 4.217 5.597 0.097 8 0 "[ . 1 ]" 1
583 1 15 LEU QD 1 52 MET H 3.650 . 5.500 5.371 4.373 5.748 0.248 8 0 "[ . 1 ]" 1
584 1 31 LEU QD 1 34 SER QB 3.650 . 5.500 3.579 3.262 3.872 . 0 0 "[ . 1 ]" 1
585 1 28 LEU QB 1 86 LEU HG 3.650 . 5.500 3.222 2.969 3.564 . 0 0 "[ . 1 ]" 1
586 1 86 LEU HG 1 90 LEU HG 3.650 . 5.500 2.697 2.267 4.614 . 0 0 "[ . 1 ]" 1
587 1 51 VAL QG 1 86 LEU HA 3.650 . 5.500 4.030 3.851 4.282 . 0 0 "[ . 1 ]" 1
588 1 13 ILE MD 1 86 LEU HA 3.650 . 5.500 4.483 4.029 5.367 . 0 0 "[ . 1 ]" 1
589 1 32 ALA MB 1 86 LEU HA 3.650 . 5.500 5.441 5.101 5.580 0.080 7 0 "[ . 1 ]" 1
590 1 90 LEU H 1 96 VAL MG1 3.650 . 5.500 5.281 5.001 5.573 0.073 11 0 "[ . 1 ]" 1
591 1 25 ARG QG 1 28 LEU QB 3.650 . 5.500 5.422 5.166 5.689 0.189 2 0 "[ . 1 ]" 1
592 1 89 SER H 1 92 ALA MB 3.650 . 5.500 4.898 4.595 5.219 . 0 0 "[ . 1 ]" 1
593 1 92 ALA MB 1 96 VAL H 3.650 . 5.500 4.425 4.097 4.655 . 0 0 "[ . 1 ]" 1
594 1 14 TYR QD 1 47 ALA MB 3.650 . 5.500 3.338 1.948 3.954 . 0 0 "[ . 1 ]" 1
595 1 14 TYR QE 1 16 VAL MG2 3.650 . 5.500 4.054 2.625 5.531 0.031 10 0 "[ . 1 ]" 1
596 1 35 LYS QG 1 37 PHE QD 3.650 . 5.500 3.840 3.479 4.206 . 0 0 "[ . 1 ]" 1
597 1 27 PHE QD 1 87 THR MG 3.650 . 5.500 4.647 3.985 5.117 . 0 0 "[ . 1 ]" 1
598 1 37 PHE QD 1 95 PRO QG 3.650 . 5.500 3.678 2.591 4.410 . 0 0 "[ . 1 ]" 1
599 1 37 PHE QD 1 86 LEU QD 3.650 . 5.500 3.382 3.115 3.582 . 0 0 "[ . 1 ]" 1
600 1 37 PHE QD 1 90 LEU MD2 3.650 . 5.500 2.883 2.388 4.836 . 0 0 "[ . 1 ]" 1
601 1 15 LEU QD 1 25 ARG HA 3.650 . 5.500 3.337 2.413 4.398 . 0 0 "[ . 1 ]" 1
602 1 65 GLU QG 1 66 ARG H 3.650 . 5.500 4.150 3.894 4.505 . 0 0 "[ . 1 ]" 1
603 1 64 GLN H 1 65 GLU QG 3.650 . 5.500 4.537 4.296 5.055 . 0 0 "[ . 1 ]" 1
604 1 11 VAL HB 1 12 ALA MB 3.650 . 5.500 5.537 5.420 5.738 0.238 4 0 "[ . 1 ]" 1
605 1 13 ILE MD 1 95 PRO QB 3.650 . 5.500 4.678 4.132 5.316 . 0 0 "[ . 1 ]" 1
606 1 13 ILE MG 1 51 VAL H 3.650 . 5.500 3.897 3.426 4.440 . 0 0 "[ . 1 ]" 1
607 1 14 TYR QB 1 40 LEU QD 3.650 . 5.500 2.813 1.839 3.946 . 0 0 "[ . 1 ]" 1
608 1 50 VAL MG1 1 63 TRP HH2 3.650 . 5.500 5.266 4.947 5.591 0.091 1 0 "[ . 1 ]" 1
609 1 24 ARG QD 1 28 LEU MD2 3.650 . 5.500 2.763 1.839 3.381 . 0 0 "[ . 1 ]" 1
610 1 28 LEU HG 1 29 THR HA 3.650 . 5.500 3.910 3.668 4.552 . 0 0 "[ . 1 ]" 1
611 1 6 THR MG 1 7 ARG H 3.650 . 5.500 3.976 3.491 4.385 . 0 0 "[ . 1 ]" 1
612 1 31 LEU H 1 32 ALA MB 3.650 . 5.500 4.361 4.152 4.588 . 0 0 "[ . 1 ]" 1
613 1 32 ALA MB 1 36 GLY H 3.650 . 5.500 4.360 4.092 4.579 . 0 0 "[ . 1 ]" 1
614 1 29 THR HA 1 32 ALA MB 3.650 . 5.500 3.185 2.850 3.469 . 0 0 "[ . 1 ]" 1
615 1 33 ARG QB 1 34 SER HA 3.650 . 5.500 4.005 3.820 4.586 . 0 0 "[ . 1 ]" 1
616 1 83 ILE MG 1 84 SER HA 3.650 . 5.500 3.436 3.103 4.197 . 0 0 "[ . 1 ]" 1
617 1 24 ARG QB 1 83 ILE MG 3.650 . 5.500 5.114 4.356 5.459 . 0 0 "[ . 1 ]" 1
618 1 51 VAL HB 1 83 ILE MG 3.650 . 5.500 4.457 4.041 5.668 0.168 3 0 "[ . 1 ]" 1
619 1 53 GLU QG 1 83 ILE HB 3.650 . 5.500 4.745 3.226 5.637 0.137 1 0 "[ . 1 ]" 1
620 1 15 LEU QB 1 83 ILE HB 3.650 . 5.500 5.651 5.535 6.240 0.740 1 1 "[+ . 1 ]" 1
621 1 24 ARG HE 1 83 ILE MG 3.650 . 5.500 3.106 2.245 3.684 . 0 0 "[ . 1 ]" 1
622 1 53 GLU QG 1 83 ILE QG 3.650 . 5.500 4.517 3.354 5.227 . 0 0 "[ . 1 ]" 1
623 1 83 ILE QG 1 86 LEU QB 3.650 . 5.500 3.193 2.937 3.726 . 0 0 "[ . 1 ]" 1
624 1 37 PHE HZ 1 95 PRO HA 3.650 . 5.500 3.171 2.838 3.434 . 0 0 "[ . 1 ]" 1
625 1 86 LEU H 1 86 LEU HG 3.650 . 5.500 4.516 4.488 4.581 . 0 0 "[ . 1 ]" 1
626 1 13 ILE QG 1 86 LEU QD 3.650 . 5.500 3.285 2.103 3.696 . 0 0 "[ . 1 ]" 1
627 1 87 THR HA 1 90 LEU HG 3.650 . 5.500 3.205 2.638 4.884 . 0 0 "[ . 1 ]" 1
628 1 87 THR MG 1 88 GLU HA 3.650 . 5.500 5.441 5.367 5.523 0.023 6 0 "[ . 1 ]" 1
629 1 31 LEU H 1 90 LEU MD2 3.650 . 5.500 5.132 4.221 5.421 . 0 0 "[ . 1 ]" 1
630 1 31 LEU H 1 90 LEU MD1 3.650 . 5.500 4.311 3.863 5.520 0.020 10 0 "[ . 1 ]" 1
631 1 90 LEU MD1 1 91 GLY H 3.650 . 5.500 4.666 4.309 5.051 . 0 0 "[ . 1 ]" 1
632 1 92 ALA MB 1 96 VAL HB 3.650 . 5.500 4.785 4.538 4.998 . 0 0 "[ . 1 ]" 1
633 1 90 LEU HA 1 92 ALA MB 3.650 . 5.500 5.284 5.012 5.533 0.033 6 0 "[ . 1 ]" 1
634 1 92 ALA MB 1 97 PRO QD 3.650 . 5.500 5.303 4.854 5.542 0.042 5 0 "[ . 1 ]" 1
635 1 91 GLY QA 1 92 ALA MB 3.650 . 5.500 4.061 4.006 4.108 . 0 0 "[ . 1 ]" 1
636 1 37 PHE QD 1 94 GLN HA 3.650 . 5.500 5.237 4.908 5.508 0.008 2 0 "[ . 1 ]" 1
637 1 37 PHE QE 1 95 PRO QG 3.650 . 5.500 3.077 1.988 3.588 . 0 0 "[ . 1 ]" 1
638 1 8 PHE QD 1 95 PRO QG 3.650 . 5.500 4.042 2.990 4.913 . 0 0 "[ . 1 ]" 1
639 1 8 PHE QD 1 95 PRO QD 3.650 . 5.500 4.398 2.868 5.560 0.060 10 0 "[ . 1 ]" 1
640 1 101 ARG HA 1 103 ARG H 3.650 . 5.500 4.125 3.754 4.723 . 0 0 "[ . 1 ]" 1
641 1 24 ARG QD 1 28 LEU HG 3.650 . 5.500 4.973 3.896 5.537 0.037 5 0 "[ . 1 ]" 1
642 1 25 ARG HA 1 28 LEU HG 3.650 . 5.500 2.451 2.246 2.728 . 0 0 "[ . 1 ]" 1
643 1 85 TRP HE1 1 98 VAL HA 3.650 . 5.500 4.464 3.885 5.002 . 0 0 "[ . 1 ]" 1
644 1 85 TRP HE1 1 95 PRO QB 2.990 . 4.180 3.904 3.359 4.211 0.031 7 0 "[ . 1 ]" 1
645 1 85 TRP HE1 1 98 VAL HB 3.650 . 5.500 3.886 3.112 5.422 . 0 0 "[ . 1 ]" 1
646 1 11 VAL MG1 1 85 TRP HE1 3.650 . 5.500 5.181 4.728 5.650 0.150 9 0 "[ . 1 ]" 1
647 1 85 TRP HE1 1 96 VAL MG1 3.585 . 5.370 5.009 4.793 5.189 . 0 0 "[ . 1 ]" 1
648 1 85 TRP HE1 1 96 VAL H 2.880 . 3.960 3.616 3.196 3.988 0.028 1 0 "[ . 1 ]" 1
649 1 85 TRP HE1 1 96 VAL MG2 2.440 . 3.080 2.964 2.805 3.104 0.024 5 0 "[ . 1 ]" 1
650 1 63 TRP HE1 1 80 LEU QD 2.715 . 3.630 3.357 2.855 3.675 0.045 10 0 "[ . 1 ]" 1
651 1 39 VAL QG 1 40 LEU H 2.545 . 3.290 2.881 2.660 3.244 . 0 0 "[ . 1 ]" 1
652 1 13 ILE H 1 40 LEU H 3.075 . 4.350 2.563 2.223 3.092 . 0 0 "[ . 1 ]" 1
653 1 14 TYR HA 1 15 LEU H 2.530 . 3.260 2.166 2.122 2.204 . 0 0 "[ . 1 ]" 1
654 1 15 LEU H 1 15 LEU QB 2.625 . 3.450 2.701 2.580 2.912 . 0 0 "[ . 1 ]" 1
655 1 13 ILE MG 1 15 LEU H 3.180 . 4.560 4.299 3.804 4.611 0.051 11 0 "[ . 1 ]" 1
656 1 38 ARG QG 1 39 VAL H 3.360 . 4.920 3.276 2.656 4.138 . 0 0 "[ . 1 ]" 1
657 1 39 VAL H 1 39 VAL QG 2.595 . 3.390 2.362 2.078 2.904 . 0 0 "[ . 1 ]" 1
658 1 38 ARG QB 1 39 VAL H 3.300 . 4.800 3.238 1.773 3.963 0.027 5 0 "[ . 1 ]" 1
659 1 38 ARG HA 1 39 VAL H 2.510 . 3.220 2.335 2.139 2.769 . 0 0 "[ . 1 ]" 1
660 1 17 GLU H 1 18 PRO QG 3.650 . 5.500 4.158 3.866 4.445 . 0 0 "[ . 1 ]" 1
661 1 16 VAL HB 1 17 GLU H 3.010 . 4.220 4.064 3.008 4.424 0.204 1 0 "[ . 1 ]" 1
662 1 13 ILE MG 1 49 HIS H 3.650 . 5.500 4.956 4.371 5.620 0.120 2 0 "[ . 1 ]" 1
663 1 40 LEU QD 1 49 HIS H 3.650 . 5.500 5.595 5.429 5.782 0.282 11 0 "[ . 1 ]" 1
664 1 49 HIS H 1 78 PRO QB 2.905 . 4.010 2.924 2.065 3.653 . 0 0 "[ . 1 ]" 1
665 1 14 TYR H 1 51 VAL H 3.220 . 4.640 4.127 3.762 4.659 0.019 7 0 "[ . 1 ]" 1
666 1 50 VAL H 1 51 VAL H 3.475 . 5.150 4.324 4.169 4.465 . 0 0 "[ . 1 ]" 1
667 1 50 VAL HA 1 51 VAL H 2.530 . 3.260 2.132 2.070 2.173 . 0 0 "[ . 1 ]" 1
668 1 48 THR H 1 49 HIS H 2.485 . 3.170 2.559 1.971 3.181 0.011 6 0 "[ . 1 ]" 1
669 1 13 ILE HA 1 49 HIS H 3.430 . 5.060 3.697 2.860 4.627 . 0 0 "[ . 1 ]" 1
670 1 47 ALA HA 1 49 HIS H 3.330 . 4.860 4.073 3.576 4.872 0.012 9 0 "[ . 1 ]" 1
671 1 12 ALA MB 1 49 HIS H 3.260 . 4.720 4.337 3.883 4.903 0.183 11 0 "[ . 1 ]" 1
672 1 47 ALA MB 1 49 HIS H 2.915 . 4.030 2.958 2.530 3.684 . 0 0 "[ . 1 ]" 1
673 1 48 THR HB 1 49 HIS H 3.650 . 5.500 4.581 4.471 4.871 . 0 0 "[ . 1 ]" 1
674 1 81 LEU H 1 81 LEU MD1 3.650 . 5.500 3.224 2.232 4.372 . 0 0 "[ . 1 ]" 1
675 1 60 ALA MB 1 81 LEU H 3.150 . 4.500 4.038 3.253 4.516 0.016 2 0 "[ . 1 ]" 1
676 1 80 LEU HG 1 81 LEU H 2.715 . 3.630 2.967 2.159 3.634 0.004 8 0 "[ . 1 ]" 1
677 1 51 VAL HA 1 81 LEU H 3.230 . 4.660 4.125 3.441 4.856 0.196 6 0 "[ . 1 ]" 1
678 1 80 LEU HA 1 81 LEU H 2.545 . 3.290 2.269 2.091 2.617 . 0 0 "[ . 1 ]" 1
679 1 50 VAL HB 1 81 LEU H 3.650 . 5.500 3.510 2.822 4.260 . 0 0 "[ . 1 ]" 1
680 1 80 LEU QD 1 81 LEU H 2.880 . 3.960 2.783 2.633 2.926 . 0 0 "[ . 1 ]" 1
681 1 15 LEU HA 1 51 VAL H 3.505 . 5.210 3.024 2.575 3.414 . 0 0 "[ . 1 ]" 1
682 1 14 TYR H 1 49 HIS H 3.415 . 5.030 3.745 3.178 4.641 . 0 0 "[ . 1 ]" 1
683 1 49 HIS H 1 50 VAL H 3.545 . 5.290 3.563 2.237 4.291 . 0 0 "[ . 1 ]" 1
684 1 50 VAL H 1 80 LEU HA 3.265 . 4.730 3.448 2.683 3.993 . 0 0 "[ . 1 ]" 1
685 1 49 HIS HA 1 50 VAL H 2.465 . 3.130 2.204 2.100 2.361 . 0 0 "[ . 1 ]" 1
686 1 50 VAL H 1 50 VAL HB 2.480 . 3.160 2.506 2.391 2.593 . 0 0 "[ . 1 ]" 1
687 1 13 ILE HB 1 14 TYR H 3.000 . 4.200 4.183 3.984 4.290 0.090 1 0 "[ . 1 ]" 1
688 1 13 ILE QG 1 14 TYR H 3.650 . 5.500 4.383 4.160 4.556 . 0 0 "[ . 1 ]" 1
689 1 50 VAL H 1 78 PRO QG 3.210 . 4.620 4.270 3.715 4.672 0.052 4 0 "[ . 1 ]" 1
690 1 14 TYR H 1 47 ALA MB 3.160 . 4.520 2.979 2.209 3.477 . 0 0 "[ . 1 ]" 1
691 1 50 VAL H 1 50 VAL MG2 2.910 . 4.020 2.569 2.350 2.935 . 0 0 "[ . 1 ]" 1
692 1 13 ILE MG 1 14 TYR H 2.460 . 3.120 2.921 2.506 3.118 . 0 0 "[ . 1 ]" 1
693 1 50 VAL H 1 50 VAL MG1 2.910 . 4.020 3.773 3.723 3.808 . 0 0 "[ . 1 ]" 1
694 1 13 ILE HA 1 14 TYR H 2.480 . 3.160 2.192 2.113 2.321 . 0 0 "[ . 1 ]" 1
695 1 14 TYR H 1 14 TYR QB 2.585 . 3.370 2.423 2.353 2.512 . 0 0 "[ . 1 ]" 1
696 1 24 ARG H 1 24 ARG QB 2.800 . 3.800 2.240 2.043 2.297 . 0 0 "[ . 1 ]" 1
697 1 38 ARG H 1 38 ARG QG 3.650 . 5.500 3.276 1.891 4.116 . 0 0 "[ . 1 ]" 1
698 1 38 ARG H 1 39 VAL HA 3.575 . 5.350 5.156 4.901 5.289 . 0 0 "[ . 1 ]" 1
699 1 37 PHE HA 1 38 ARG H 2.510 . 3.220 2.317 2.153 2.512 . 0 0 "[ . 1 ]" 1
700 1 37 PHE QB 1 38 ARG H 2.725 . 3.650 2.920 2.755 3.183 . 0 0 "[ . 1 ]" 1
701 1 13 ILE MD 1 38 ARG H 3.650 . 5.500 3.706 2.906 4.566 . 0 0 "[ . 1 ]" 1
702 1 13 ILE H 1 13 ILE HB 2.620 . 3.440 2.688 2.482 2.836 . 0 0 "[ . 1 ]" 1
703 1 13 ILE H 1 13 ILE QG 2.710 . 3.620 2.458 1.944 3.418 . 0 0 "[ . 1 ]" 1
704 1 12 ALA MB 1 13 ILE H 2.675 . 3.550 3.101 2.563 3.431 . 0 0 "[ . 1 ]" 1
705 1 58 GLU H 1 60 ALA H 3.450 . 5.100 4.418 4.248 4.781 . 0 0 "[ . 1 ]" 1
706 1 59 GLU QG 1 60 ALA H 3.015 . 4.230 4.109 3.969 4.348 0.118 7 0 "[ . 1 ]" 1
707 1 59 GLU QB 1 60 ALA H 3.150 . 4.500 2.374 2.255 2.603 . 0 0 "[ . 1 ]" 1
708 1 55 THR MG 1 60 ALA H 2.705 . 3.610 2.405 2.138 2.696 . 0 0 "[ . 1 ]" 1
709 1 60 ALA H 1 61 VAL MG2 3.650 . 5.500 4.081 3.808 4.228 . 0 0 "[ . 1 ]" 1
710 1 15 LEU HA 1 16 VAL H 2.550 . 3.300 2.203 2.132 2.313 . 0 0 "[ . 1 ]" 1
711 1 15 LEU QB 1 16 VAL H 3.650 . 5.500 3.002 2.653 3.373 . 0 0 "[ . 1 ]" 1
712 1 16 VAL H 1 51 VAL QG 3.650 . 5.500 3.988 3.283 5.039 . 0 0 "[ . 1 ]" 1
713 1 16 VAL H 1 52 MET QG 3.650 . 5.500 3.835 2.835 5.305 . 0 0 "[ . 1 ]" 1
714 1 16 VAL H 1 16 VAL HB 2.855 . 3.910 2.979 2.562 3.645 . 0 0 "[ . 1 ]" 1
715 1 16 VAL H 1 20 MET ME 3.155 . 4.510 3.123 2.746 3.812 . 0 0 "[ . 1 ]" 1
716 1 16 VAL H 1 16 VAL MG2 3.295 . 4.790 1.972 1.796 2.123 0.004 2 0 "[ . 1 ]" 1
717 1 15 LEU QD 1 16 VAL H 3.650 . 5.500 3.984 3.734 4.219 . 0 0 "[ . 1 ]" 1
718 1 16 VAL H 1 16 VAL MG1 3.295 . 4.790 3.295 2.137 3.800 . 0 0 "[ . 1 ]" 1
719 1 7 ARG H 1 7 ARG QD 3.650 . 5.500 4.492 4.104 5.258 . 0 0 "[ . 1 ]" 1
720 1 7 ARG H 1 7 ARG QG 3.080 . 4.360 4.019 2.623 4.487 0.127 8 0 "[ . 1 ]" 1
721 1 6 THR HA 1 7 ARG H 2.655 . 3.510 2.852 2.213 3.500 . 0 0 "[ . 1 ]" 1
722 1 7 ARG H 1 7 ARG QB 2.475 . 3.150 2.704 2.225 3.130 . 0 0 "[ . 1 ]" 1
723 1 25 ARG QG 1 26 ALA H 3.650 . 5.500 3.649 2.929 4.172 . 0 0 "[ . 1 ]" 1
724 1 97 PRO HA 1 98 VAL H 2.440 . 3.080 2.158 2.140 2.172 . 0 0 "[ . 1 ]" 1
725 1 98 VAL H 1 98 VAL MG1 2.850 . 3.900 2.254 1.878 3.772 . 0 0 "[ . 1 ]" 1
726 1 22 ARG HA 1 26 ALA H 3.355 . 4.910 3.463 3.198 4.449 . 0 0 "[ . 1 ]" 1
727 1 24 ARG QB 1 26 ALA H 3.455 . 5.110 5.006 4.500 5.271 0.161 7 0 "[ . 1 ]" 1
728 1 103 ARG QB 1 104 LEU H 3.195 . 3.890 3.674 2.707 3.918 0.028 1 0 "[ . 1 ]" 1
729 1 104 LEU H 1 104 LEU MD1 3.235 . 4.670 3.975 3.812 4.765 0.095 2 0 "[ . 1 ]" 1
730 1 71 ALA H 1 72 PRO QD 3.650 . 4.700 4.394 4.303 4.457 . 0 0 "[ . 1 ]" 1
731 1 70 ALA HA 1 71 ALA H 2.655 . 3.510 3.409 3.220 3.478 . 0 0 "[ . 1 ]" 1
732 1 68 MET HA 1 71 ALA H 2.795 . 3.790 3.235 3.046 3.377 . 0 0 "[ . 1 ]" 1
733 1 76 THR H 1 76 THR HB 2.770 . 3.740 3.016 2.519 3.593 . 0 0 "[ . 1 ]" 1
734 1 75 CYS QB 1 76 THR H 2.875 . 3.950 3.289 2.619 3.781 . 0 0 "[ . 1 ]" 1
735 1 76 THR H 1 76 THR MG 3.275 . 4.750 3.217 2.366 3.813 . 0 0 "[ . 1 ]" 1
736 1 81 LEU HA 1 104 LEU H 3.575 . 5.350 3.694 3.024 4.984 . 0 0 "[ . 1 ]" 1
737 1 103 ARG QG 1 104 LEU H 3.650 . 5.500 4.357 3.990 4.574 . 0 0 "[ . 1 ]" 1
738 1 104 LEU H 1 104 LEU HG 3.030 . 4.260 3.745 3.306 4.596 0.336 7 0 "[ . 1 ]" 1
739 1 104 LEU H 1 104 LEU MD2 3.235 . 4.670 2.413 1.633 4.870 0.200 7 0 "[ . 1 ]" 1
740 1 103 ARG HA 1 104 LEU H 2.525 . 3.250 2.902 2.639 3.376 0.126 2 0 "[ . 1 ]" 1
741 1 104 LEU H 1 104 LEU QB 2.580 . 3.360 2.435 2.123 2.881 . 0 0 "[ . 1 ]" 1
742 1 54 GLU H 1 55 THR H 2.865 . 3.930 2.757 2.634 3.056 . 0 0 "[ . 1 ]" 1
743 1 53 GLU HA 1 54 GLU H 2.580 . 3.360 2.260 2.138 2.397 . 0 0 "[ . 1 ]" 1
744 1 53 GLU QG 1 54 GLU H 3.000 . 4.200 3.012 2.046 3.910 . 0 0 "[ . 1 ]" 1
745 1 54 GLU H 1 83 ILE MG 3.650 . 5.500 3.602 2.889 4.347 . 0 0 "[ . 1 ]" 1
746 1 56 SER H 1 60 ALA H 3.585 . 5.370 4.547 4.232 5.389 0.019 8 0 "[ . 1 ]" 1
747 1 55 THR HA 1 56 SER H 2.365 . 2.930 2.171 2.133 2.279 . 0 0 "[ . 1 ]" 1
748 1 56 SER H 1 59 GLU QG 2.760 . 3.720 2.579 1.882 3.455 . 0 0 "[ . 1 ]" 1
749 1 56 SER H 1 59 GLU QB 3.650 . 5.500 2.575 1.936 3.646 . 0 0 "[ . 1 ]" 1
750 1 55 THR MG 1 56 SER H 2.625 . 3.450 2.872 2.583 3.354 . 0 0 "[ . 1 ]" 1
751 1 51 VAL HB 1 52 MET H 3.650 . 5.500 3.363 2.605 3.990 . 0 0 "[ . 1 ]" 1
752 1 51 VAL HA 1 52 MET H 2.515 . 3.230 2.188 2.074 2.291 . 0 0 "[ . 1 ]" 1
753 1 52 MET H 1 52 MET QG 3.105 . 4.410 3.269 2.071 4.161 . 0 0 "[ . 1 ]" 1
754 1 27 PHE HA 1 31 LEU H 3.650 . 5.500 4.296 3.691 4.672 . 0 0 "[ . 1 ]" 1
755 1 28 LEU HA 1 31 LEU H 2.985 . 4.170 3.505 3.299 3.735 . 0 0 "[ . 1 ]" 1
756 1 31 LEU H 1 31 LEU HG 2.725 . 3.650 2.718 2.495 3.021 . 0 0 "[ . 1 ]" 1
757 1 31 LEU H 1 31 LEU QD 2.835 . 3.870 3.255 3.117 3.434 . 0 0 "[ . 1 ]" 1
758 1 31 LEU H 1 31 LEU QB 2.615 . 3.430 2.347 2.277 2.402 . 0 0 "[ . 1 ]" 1
759 1 28 LEU HG 1 31 LEU H 3.650 . 5.500 5.661 5.494 5.953 0.453 1 0 "[ . 1 ]" 1
760 1 86 LEU QD 1 88 GLU H 3.650 . 5.500 5.288 4.997 5.505 0.005 3 0 "[ . 1 ]" 1
761 1 88 GLU H 1 96 VAL MG2 3.650 . 5.500 4.838 4.290 5.368 . 0 0 "[ . 1 ]" 1
762 1 56 SER HA 1 57 ALA H 2.545 . 3.290 2.514 2.322 2.683 . 0 0 "[ . 1 ]" 1
763 1 56 SER QB 1 57 ALA H 2.735 . 3.150 2.414 1.919 3.267 0.117 8 0 "[ . 1 ]" 1
764 1 84 SER HA 1 88 GLU H 3.275 . 4.750 4.163 3.848 4.702 . 0 0 "[ . 1 ]" 1
765 1 88 GLU H 1 88 GLU QG 2.770 . 3.560 2.306 1.845 2.809 . 0 0 "[ . 1 ]" 1
766 1 87 THR HB 1 88 GLU H 2.960 . 4.120 3.353 3.049 3.810 . 0 0 "[ . 1 ]" 1
767 1 88 GLU H 1 88 GLU QB 2.760 . 3.260 2.418 2.293 2.611 . 0 0 "[ . 1 ]" 1
768 1 63 TRP H 1 64 GLN H 2.770 . 3.740 2.882 2.558 3.043 . 0 0 "[ . 1 ]" 1
769 1 61 VAL HA 1 63 TRP H 3.215 . 4.630 4.531 4.215 4.645 0.015 10 0 "[ . 1 ]" 1
770 1 62 SER H 1 63 TRP H 2.640 . 3.480 2.678 2.562 2.800 . 0 0 "[ . 1 ]" 1
771 1 60 ALA HA 1 63 TRP H 2.630 . 3.460 3.195 3.011 3.321 . 0 0 "[ . 1 ]" 1
772 1 62 SER QB 1 63 TRP H 2.725 . 3.650 2.496 2.280 3.265 . 0 0 "[ . 1 ]" 1
773 1 63 TRP H 1 63 TRP QB 2.565 . 3.330 2.192 2.089 2.319 . 0 0 "[ . 1 ]" 1
774 1 51 VAL QG 1 83 ILE H 3.540 . 5.280 3.605 2.866 4.398 . 0 0 "[ . 1 ]" 1
775 1 22 ARG H 1 22 ARG QB 2.855 . 3.280 2.357 2.216 2.579 . 0 0 "[ . 1 ]" 1
776 1 22 ARG H 1 22 ARG QG 3.650 . 5.500 3.261 2.190 3.996 . 0 0 "[ . 1 ]" 1
777 1 83 ILE H 1 83 ILE QG 3.505 . 5.210 4.048 3.998 4.081 . 0 0 "[ . 1 ]" 1
778 1 82 ASP HA 1 83 ILE H 2.565 . 3.330 2.421 2.263 3.154 . 0 0 "[ . 1 ]" 1
779 1 53 GLU HA 1 83 ILE H 3.650 . 5.500 3.619 2.788 4.068 . 0 0 "[ . 1 ]" 1
780 1 20 MET ME 1 83 ILE H 3.650 . 5.500 4.541 3.897 5.536 0.036 6 0 "[ . 1 ]" 1
781 1 51 VAL HB 1 83 ILE H 3.650 . 5.500 3.913 3.013 5.456 . 0 0 "[ . 1 ]" 1
782 1 83 ILE H 1 83 ILE HB 2.510 . 3.220 2.571 2.382 3.243 0.023 6 0 "[ . 1 ]" 1
783 1 83 ILE H 1 83 ILE MD 3.090 . 4.380 4.102 3.961 4.379 . 0 0 "[ . 1 ]" 1
784 1 80 LEU H 1 80 LEU QB 2.900 . 3.190 2.245 2.110 2.398 . 0 0 "[ . 1 ]" 1
785 1 80 LEU H 1 80 LEU QD 3.110 . 4.420 3.656 3.412 3.790 . 0 0 "[ . 1 ]" 1
786 1 89 SER HA 1 96 VAL H 2.920 . 4.040 3.069 2.850 3.249 . 0 0 "[ . 1 ]" 1
787 1 89 SER QB 1 96 VAL H 3.130 . 4.460 2.781 2.200 3.273 . 0 0 "[ . 1 ]" 1
788 1 89 SER H 1 96 VAL H 3.650 . 5.500 4.696 4.214 5.190 . 0 0 "[ . 1 ]" 1
789 1 27 PHE H 1 28 LEU H 2.735 . 3.670 2.810 2.393 2.996 . 0 0 "[ . 1 ]" 1
790 1 27 PHE H 1 27 PHE HB3 2.560 . 3.320 2.060 1.992 2.162 . 0 0 "[ . 1 ]" 1
791 1 27 PHE H 1 27 PHE HB2 2.560 . 3.320 3.123 2.956 3.278 . 0 0 "[ . 1 ]" 1
792 1 24 ARG HA 1 27 PHE H 2.895 . 3.990 3.626 3.386 4.059 0.069 10 0 "[ . 1 ]" 1
793 1 104 LEU H 1 105 GLU H 2.810 . 3.820 3.320 2.874 3.962 0.142 8 0 "[ . 1 ]" 1
794 1 104 LEU HA 1 105 GLU H 2.670 . 3.540 3.131 2.350 3.561 0.021 7 0 "[ . 1 ]" 1
795 1 57 ALA MB 1 105 GLU H 2.935 . 4.070 4.193 3.920 4.903 0.833 1 1 "[+ . 1 ]" 1
796 1 104 LEU QB 1 105 GLU H 3.070 . 4.340 3.733 2.076 4.078 . 0 0 "[ . 1 ]" 1
797 1 104 LEU HG 1 105 GLU H 3.350 . 4.900 3.574 2.211 4.637 . 0 0 "[ . 1 ]" 1
798 1 80 LEU HG 1 105 GLU H 3.650 . 5.500 4.875 4.234 5.568 0.068 8 0 "[ . 1 ]" 1
799 1 20 MET QB 1 53 GLU H 3.325 . 4.850 3.593 2.659 4.845 . 0 0 "[ . 1 ]" 1
800 1 89 SER QB 1 90 LEU H 3.000 . 4.200 2.847 2.404 3.403 . 0 0 "[ . 1 ]" 1
801 1 90 LEU H 1 90 LEU HG 2.875 . 3.950 2.493 2.142 3.860 . 0 0 "[ . 1 ]" 1
802 1 52 MET HA 1 53 GLU H 2.520 . 3.240 2.301 2.191 2.446 . 0 0 "[ . 1 ]" 1
803 1 20 MET ME 1 53 GLU H 2.620 . 3.440 2.822 2.342 3.457 0.017 10 0 "[ . 1 ]" 1
804 1 40 LEU HA 1 41 ASP H 2.500 . 3.200 2.187 2.138 2.287 . 0 0 "[ . 1 ]" 1
805 1 41 ASP H 1 41 ASP QB 2.870 . 3.940 2.563 2.172 3.206 . 0 0 "[ . 1 ]" 1
806 1 41 ASP H 1 42 ALA H 3.215 . 4.630 3.783 2.278 4.573 . 0 0 "[ . 1 ]" 1
807 1 40 LEU QD 1 41 ASP H 2.920 . 4.040 2.199 1.801 2.663 . 0 0 "[ . 1 ]" 1
808 1 86 LEU HG 1 90 LEU H 3.485 . 5.170 4.257 4.027 4.467 . 0 0 "[ . 1 ]" 1
809 1 30 GLY H 1 32 ALA H 3.650 . 5.500 4.540 4.307 4.774 . 0 0 "[ . 1 ]" 1
810 1 90 LEU H 1 92 ALA H 3.650 . 5.500 4.348 4.071 4.523 . 0 0 "[ . 1 ]" 1
811 1 31 LEU H 1 32 ALA H 2.600 . 3.400 2.728 2.543 2.951 . 0 0 "[ . 1 ]" 1
812 1 90 LEU H 1 90 LEU QB 2.740 . 3.680 2.433 2.150 2.542 . 0 0 "[ . 1 ]" 1
813 1 32 ALA H 1 90 LEU MD2 3.075 . 4.350 3.182 2.756 3.457 . 0 0 "[ . 1 ]" 1
814 1 88 GLU HA 1 92 ALA H 3.650 . 5.500 4.150 3.845 4.560 . 0 0 "[ . 1 ]" 1
815 1 89 SER HA 1 92 ALA H 3.180 . 4.560 3.461 3.215 3.684 . 0 0 "[ . 1 ]" 1
816 1 90 LEU QB 1 92 ALA H 3.650 . 5.500 4.771 4.477 4.947 . 0 0 "[ . 1 ]" 1
817 1 68 MET QG 1 69 ALA H 3.650 . 5.500 4.149 4.033 4.270 . 0 0 "[ . 1 ]" 1
818 1 66 ARG HA 1 69 ALA H 2.915 . 4.030 3.382 3.192 3.655 . 0 0 "[ . 1 ]" 1
819 1 67 ARG HA 1 69 ALA H 3.650 . 5.500 4.422 4.027 4.728 . 0 0 "[ . 1 ]" 1
820 1 68 MET QB 1 69 ALA H 2.545 . 3.290 2.691 2.387 3.048 . 0 0 "[ . 1 ]" 1
821 1 79 ALA H 1 80 LEU H 3.650 . 5.500 4.303 4.106 4.510 . 0 0 "[ . 1 ]" 1
822 1 49 HIS HA 1 79 ALA H 2.645 . 3.490 3.100 2.419 3.562 0.072 5 0 "[ . 1 ]" 1
823 1 78 PRO HA 1 79 ALA H 2.415 . 3.030 2.662 2.479 2.876 . 0 0 "[ . 1 ]" 1
824 1 78 PRO QB 1 79 ALA H 2.890 . 3.980 2.039 1.659 2.431 0.141 9 0 "[ . 1 ]" 1
825 1 78 PRO QG 1 79 ALA H 2.780 . 3.760 3.735 3.490 3.946 0.186 5 0 "[ . 1 ]" 1
826 1 79 ALA H 1 79 ALA MB 2.390 . 2.980 2.309 2.187 2.425 . 0 0 "[ . 1 ]" 1
827 1 28 LEU H 1 32 ALA H 3.650 . 5.500 5.586 5.514 5.719 0.219 1 0 "[ . 1 ]" 1
828 1 32 ALA H 1 34 SER H 3.650 . 5.500 4.216 4.031 4.334 . 0 0 "[ . 1 ]" 1
829 1 32 ALA H 1 32 ALA MB 2.285 . 2.770 2.197 2.133 2.236 . 0 0 "[ . 1 ]" 1
830 1 31 LEU QD 1 32 ALA H 2.870 . 3.940 3.991 3.905 4.040 0.100 4 0 "[ . 1 ]" 1
831 1 88 GLU HA 1 90 LEU H 3.400 . 5.000 4.445 4.008 4.764 . 0 0 "[ . 1 ]" 1
832 1 64 GLN H 1 65 GLU H 2.640 . 3.480 2.765 2.625 2.866 . 0 0 "[ . 1 ]" 1
833 1 63 TRP HD1 1 64 GLN H 3.410 . 5.020 3.279 2.934 3.655 . 0 0 "[ . 1 ]" 1
834 1 63 TRP QB 1 64 GLN H 2.665 . 3.530 2.732 2.562 2.920 . 0 0 "[ . 1 ]" 1
835 1 61 VAL HA 1 64 GLN H 3.435 . 5.070 3.217 3.057 3.499 . 0 0 "[ . 1 ]" 1
836 1 64 GLN H 1 80 LEU HG 3.650 . 5.500 5.583 5.517 5.865 0.365 1 0 "[ . 1 ]" 1
837 1 85 TRP H 1 86 LEU H 2.640 . 3.480 2.632 2.446 2.937 . 0 0 "[ . 1 ]" 1
838 1 85 TRP H 1 102 HIS HA 3.650 . 5.500 5.387 4.327 5.703 0.203 2 0 "[ . 1 ]" 1
839 1 84 SER QB 1 85 TRP H 3.650 . 5.500 3.165 2.726 3.652 . 0 0 "[ . 1 ]" 1
840 1 85 TRP H 1 85 TRP QB 2.530 . 3.260 2.222 2.188 2.284 . 0 0 "[ . 1 ]" 1
841 1 83 ILE QG 1 85 TRP H 3.650 . 5.500 5.107 4.825 5.552 0.052 10 0 "[ . 1 ]" 1
842 1 85 TRP H 1 86 LEU QB 3.650 . 5.500 4.392 4.152 4.716 . 0 0 "[ . 1 ]" 1
843 1 85 TRP H 1 87 THR H 3.375 . 4.950 4.415 4.219 4.735 . 0 0 "[ . 1 ]" 1
844 1 84 SER H 1 85 TRP H 2.705 . 3.610 2.545 1.782 2.685 0.018 10 0 "[ . 1 ]" 1
845 1 83 ILE MD 1 85 TRP H 3.550 . 5.300 4.864 4.560 5.079 . 0 0 "[ . 1 ]" 1
846 1 20 MET H 1 20 MET ME 3.650 . 5.500 4.768 4.196 5.339 . 0 0 "[ . 1 ]" 1
847 1 20 MET H 1 21 GLY H 2.915 . 4.030 3.837 2.727 4.247 0.217 7 0 "[ . 1 ]" 1
848 1 20 MET H 1 20 MET QB 2.585 . 3.370 2.696 2.259 3.306 . 0 0 "[ . 1 ]" 1
849 1 19 ARG H 1 20 MET H 2.905 . 4.010 2.626 1.998 3.233 . 0 0 "[ . 1 ]" 1
850 1 59 GLU H 1 60 ALA MB 3.650 . 5.500 4.732 4.393 4.978 . 0 0 "[ . 1 ]" 1
851 1 59 GLU H 1 60 ALA H 2.550 . 3.300 3.015 2.639 3.216 . 0 0 "[ . 1 ]" 1
852 1 58 GLU H 1 59 GLU H 2.570 . 3.340 2.745 2.412 3.065 . 0 0 "[ . 1 ]" 1
853 1 58 GLU QG 1 59 GLU H 2.615 . 3.430 2.538 1.739 3.881 0.451 5 0 "[ . 1 ]" 1
854 1 59 GLU H 1 59 GLU QG 2.700 . 3.600 2.381 2.079 3.272 . 0 0 "[ . 1 ]" 1
855 1 59 GLU H 1 59 GLU QB 2.490 . 3.180 2.460 2.329 2.624 . 0 0 "[ . 1 ]" 1
856 1 57 ALA H 1 59 GLU H 3.650 . 5.500 4.436 3.741 4.891 . 0 0 "[ . 1 ]" 1
857 1 10 GLY H 1 11 VAL H 2.965 . 4.130 2.939 1.784 3.813 0.016 3 0 "[ . 1 ]" 1
858 1 11 VAL H 1 11 VAL HB 2.890 . 3.980 2.715 2.506 2.932 . 0 0 "[ . 1 ]" 1
859 1 11 VAL H 1 11 VAL MG2 2.875 . 3.950 3.029 2.239 3.805 . 0 0 "[ . 1 ]" 1
860 1 40 LEU QD 1 42 ALA H 3.500 . 5.200 3.544 1.769 4.615 0.031 11 0 "[ . 1 ]" 1
861 1 9 PRO HA 1 11 VAL H 3.570 . 5.340 3.898 3.096 5.393 0.053 2 0 "[ . 1 ]" 1
862 1 65 GLU H 1 65 GLU QG 2.565 . 3.240 2.337 2.074 2.858 . 0 0 "[ . 1 ]" 1
863 1 65 GLU H 1 65 GLU QB 2.590 . 3.380 2.362 2.155 2.497 . 0 0 "[ . 1 ]" 1
864 1 62 SER HA 1 65 GLU H 3.095 . 4.390 3.271 2.977 3.752 . 0 0 "[ . 1 ]" 1
865 1 83 ILE H 1 84 SER H 3.235 . 4.670 2.752 1.849 3.562 . 0 0 "[ . 1 ]" 1
866 1 51 VAL HA 1 84 SER H 3.515 . 5.230 5.485 5.392 5.736 0.506 1 1 "[+ . 1 ]" 1
867 1 84 SER H 1 84 SER QB 2.885 . 3.170 2.493 2.233 2.773 . 0 0 "[ . 1 ]" 1
868 1 83 ILE MD 1 84 SER H 3.650 . 5.500 4.578 4.057 4.731 . 0 0 "[ . 1 ]" 1
869 1 27 PHE HB3 1 28 LEU H 3.435 . 5.070 3.053 2.824 3.283 . 0 0 "[ . 1 ]" 1
870 1 24 ARG QD 1 28 LEU H 3.650 . 5.500 4.754 3.448 5.934 0.434 1 0 "[ . 1 ]" 1
871 1 28 LEU H 1 28 LEU QB 2.770 . 3.740 2.489 2.384 2.685 . 0 0 "[ . 1 ]" 1
872 1 28 LEU H 1 28 LEU MD1 3.245 . 4.690 3.776 3.342 3.958 . 0 0 "[ . 1 ]" 1
873 1 28 LEU H 1 28 LEU HG 2.900 . 4.000 2.314 1.899 2.589 . 0 0 "[ . 1 ]" 1
874 1 28 LEU H 1 28 LEU MD2 2.765 . 3.730 3.008 2.778 3.199 . 0 0 "[ . 1 ]" 1
875 1 83 ILE HA 1 84 SER H 2.675 . 3.550 3.267 2.600 3.403 . 0 0 "[ . 1 ]" 1
876 1 86 LEU H 1 86 LEU QB 2.700 . 3.600 2.290 2.234 2.367 . 0 0 "[ . 1 ]" 1
877 1 86 LEU H 1 87 THR MG 3.650 . 5.500 4.345 3.998 4.670 . 0 0 "[ . 1 ]" 1
878 1 67 ARG H 1 68 MET H 2.775 . 3.750 2.710 2.434 2.914 . 0 0 "[ . 1 ]" 1
879 1 65 GLU QB 1 67 ARG H 3.650 . 5.500 4.661 4.347 4.979 . 0 0 "[ . 1 ]" 1
880 1 67 ARG H 1 68 MET QB 3.650 . 5.500 4.672 4.284 5.044 . 0 0 "[ . 1 ]" 1
881 1 66 ARG QG 1 67 ARG H 3.150 . 4.500 3.977 3.230 4.375 . 0 0 "[ . 1 ]" 1
882 1 67 ARG H 1 67 ARG QB 2.740 . 3.140 2.278 2.046 2.572 . 0 0 "[ . 1 ]" 1
883 1 66 ARG H 1 67 ARG H 2.540 . 3.280 2.595 2.406 2.752 . 0 0 "[ . 1 ]" 1
884 1 64 GLN HA 1 67 ARG H 2.835 . 3.870 3.335 3.050 3.519 . 0 0 "[ . 1 ]" 1
885 1 66 ARG QB 1 67 ARG H 2.640 . 3.480 2.603 2.303 2.926 . 0 0 "[ . 1 ]" 1
886 1 67 ARG H 1 67 ARG QG 2.910 . 4.020 3.487 2.277 4.019 . 0 0 "[ . 1 ]" 1
887 1 83 ILE MD 1 86 LEU H 2.765 . 3.730 3.472 3.244 3.612 . 0 0 "[ . 1 ]" 1
888 1 86 LEU H 1 86 LEU QD 2.965 . 4.130 3.730 3.682 3.788 . 0 0 "[ . 1 ]" 1
889 1 85 TRP QB 1 86 LEU H 3.490 . 4.430 2.793 2.566 3.020 . 0 0 "[ . 1 ]" 1
890 1 34 SER H 1 35 LYS H 2.560 . 3.320 2.468 2.292 2.634 . 0 0 "[ . 1 ]" 1
891 1 34 SER QB 1 35 LYS H 2.640 . 3.480 3.126 2.896 3.251 . 0 0 "[ . 1 ]" 1
892 1 32 ALA HA 1 35 LYS H 3.360 . 4.920 3.220 3.060 3.317 . 0 0 "[ . 1 ]" 1
893 1 35 LYS H 1 35 LYS QB 2.685 . 3.570 2.418 2.314 2.568 . 0 0 "[ . 1 ]" 1
894 1 35 LYS H 1 35 LYS QG 2.440 . 3.080 2.550 2.285 2.775 . 0 0 "[ . 1 ]" 1
895 1 35 LYS H 1 36 GLY H 2.575 . 3.350 2.608 2.430 2.790 . 0 0 "[ . 1 ]" 1
896 1 24 ARG H 1 25 ARG H 3.480 . 5.160 2.512 2.285 2.773 . 0 0 "[ . 1 ]" 1
897 1 22 ARG HA 1 25 ARG H 3.210 . 4.620 3.267 2.940 3.521 . 0 0 "[ . 1 ]" 1
898 1 20 MET QB 1 25 ARG H 3.645 . 5.490 4.932 4.010 5.559 0.069 9 0 "[ . 1 ]" 1
899 1 24 ARG QB 1 25 ARG H 2.570 . 3.340 2.591 2.343 2.789 . 0 0 "[ . 1 ]" 1
900 1 25 ARG H 1 25 ARG QG 3.650 . 5.500 3.807 2.374 4.016 . 0 0 "[ . 1 ]" 1
901 1 36 GLY H 1 37 PHE H 2.480 . 3.160 1.992 1.711 2.403 0.089 5 0 "[ . 1 ]" 1
902 1 37 PHE H 1 37 PHE QD 2.950 . 4.100 3.117 2.736 3.411 . 0 0 "[ . 1 ]" 1
903 1 33 ARG HA 1 37 PHE H 2.825 . 3.850 3.409 3.049 3.881 0.031 7 0 "[ . 1 ]" 1
904 1 37 PHE H 1 37 PHE QB 2.370 . 2.940 2.786 2.598 2.954 0.014 5 0 "[ . 1 ]" 1
905 1 32 ALA MB 1 37 PHE H 3.330 . 4.860 4.137 3.835 4.515 . 0 0 "[ . 1 ]" 1
906 1 13 ILE MD 1 37 PHE H 3.470 . 5.140 4.847 4.544 5.075 . 0 0 "[ . 1 ]" 1
907 1 40 LEU QD 1 46 GLU H 2.960 . 4.120 3.346 2.553 3.866 . 0 0 "[ . 1 ]" 1
908 1 46 GLU H 1 46 GLU QB 2.650 . 3.060 2.241 2.213 2.300 . 0 0 "[ . 1 ]" 1
909 1 46 GLU H 1 47 ALA MB 3.240 . 4.680 4.247 4.141 4.318 . 0 0 "[ . 1 ]" 1
910 1 68 MET HA 1 70 ALA H 2.840 . 3.880 3.871 3.712 3.943 0.063 7 0 "[ . 1 ]" 1
911 1 46 GLU H 1 47 ALA H 2.625 . 3.450 2.613 2.569 2.685 . 0 0 "[ . 1 ]" 1
912 1 46 GLU QB 1 47 ALA H 2.995 . 3.450 3.156 2.796 3.509 0.059 5 0 "[ . 1 ]" 1
913 1 40 LEU QD 1 47 ALA H 2.515 . 3.230 2.925 2.253 3.263 0.033 4 0 "[ . 1 ]" 1
914 1 82 ASP H 1 102 HIS HA 3.650 . 5.500 4.226 3.545 4.801 . 0 0 "[ . 1 ]" 1
915 1 81 LEU HA 1 82 ASP H 2.525 . 3.250 2.688 2.279 2.831 . 0 0 "[ . 1 ]" 1
916 1 82 ASP H 1 82 ASP QB 2.625 . 2.990 2.480 2.197 2.821 . 0 0 "[ . 1 ]" 1
917 1 33 ARG H 1 34 SER H 2.615 . 3.430 2.646 2.484 2.750 . 0 0 "[ . 1 ]" 1
918 1 33 ARG H 1 33 ARG QD 3.115 . 4.430 3.823 3.413 4.315 . 0 0 "[ . 1 ]" 1
919 1 33 ARG H 1 33 ARG QG 2.330 . 2.860 2.361 2.061 2.549 . 0 0 "[ . 1 ]" 1
920 1 32 ALA MB 1 33 ARG H 2.570 . 3.340 2.623 2.555 2.754 . 0 0 "[ . 1 ]" 1
921 1 29 THR MG 1 33 ARG H 3.640 . 5.480 4.409 4.090 4.719 . 0 0 "[ . 1 ]" 1
922 1 100 CYS HA 1 102 HIS H 3.650 . 5.500 4.012 3.439 4.794 . 0 0 "[ . 1 ]" 1
923 1 99 GLU QG 1 102 HIS H 3.650 . 5.500 4.490 2.045 5.297 . 0 0 "[ . 1 ]" 1
924 1 101 ARG QB 1 102 HIS H 3.190 . 4.580 2.771 2.032 3.699 . 0 0 "[ . 1 ]" 1
925 1 101 ARG H 1 102 HIS H 2.815 . 3.830 2.690 2.590 2.931 . 0 0 "[ . 1 ]" 1
926 1 102 HIS H 1 103 ARG H 2.485 . 3.170 2.245 1.995 2.546 . 0 0 "[ . 1 ]" 1
927 1 102 HIS H 1 102 HIS QB 2.845 . 3.210 2.387 2.132 2.578 . 0 0 "[ . 1 ]" 1
928 1 99 GLU QB 1 102 HIS H 3.650 . 5.500 3.222 2.728 4.058 . 0 0 "[ . 1 ]" 1
929 1 69 ALA H 1 70 ALA H 2.695 . 3.590 2.656 2.329 2.803 . 0 0 "[ . 1 ]" 1
930 1 70 ALA H 1 71 ALA H 2.425 . 3.050 2.292 2.175 2.447 . 0 0 "[ . 1 ]" 1
931 1 70 ALA H 1 70 ALA MB 2.285 . 2.770 2.292 2.239 2.346 . 0 0 "[ . 1 ]" 1
932 1 67 ARG HA 1 70 ALA H 3.650 . 5.500 3.619 3.023 3.862 . 0 0 "[ . 1 ]" 1
933 1 87 THR HA 1 89 SER H 3.650 . 5.500 4.654 4.158 5.056 . 0 0 "[ . 1 ]" 1
934 1 89 SER H 1 90 LEU HA 3.650 . 5.500 5.416 5.182 5.556 0.056 3 0 "[ . 1 ]" 1
935 1 45 SER HA 1 47 ALA H 2.825 . 3.850 3.271 2.993 3.611 . 0 0 "[ . 1 ]" 1
936 1 47 ALA H 1 78 PRO QD 3.650 . 5.500 5.349 3.630 5.623 0.123 10 0 "[ . 1 ]" 1
937 1 74 GLY H 1 75 CYS H 2.880 . 3.960 2.294 1.898 2.517 . 0 0 "[ . 1 ]" 1
938 1 73 PRO HA 1 75 CYS H 3.105 . 4.410 3.438 2.960 3.714 . 0 0 "[ . 1 ]" 1
939 1 68 MET ME 1 75 CYS H 3.650 . 5.500 4.532 3.585 4.900 . 0 0 "[ . 1 ]" 1
940 1 73 PRO QG 1 75 CYS H 3.650 . 5.500 5.558 5.427 5.929 0.429 1 0 "[ . 1 ]" 1
941 1 89 SER H 1 90 LEU H 2.705 . 3.610 2.857 2.597 3.026 . 0 0 "[ . 1 ]" 1
942 1 88 GLU H 1 89 SER H 2.705 . 3.610 2.770 2.349 3.126 . 0 0 "[ . 1 ]" 1
943 1 86 LEU HA 1 89 SER H 3.265 . 4.730 3.494 3.057 3.942 . 0 0 "[ . 1 ]" 1
944 1 89 SER H 1 89 SER QB 2.545 . 3.290 2.526 2.410 2.625 . 0 0 "[ . 1 ]" 1
945 1 88 GLU QG 1 89 SER H 3.535 . 5.270 4.084 3.742 4.354 . 0 0 "[ . 1 ]" 1
946 1 89 SER H 1 96 VAL MG2 2.855 . 3.910 3.175 2.770 3.569 . 0 0 "[ . 1 ]" 1
947 1 66 ARG H 1 69 ALA MB 3.650 . 5.500 4.595 4.363 4.933 . 0 0 "[ . 1 ]" 1
948 1 65 GLU H 1 66 ARG H 2.730 . 3.660 2.699 2.534 2.871 . 0 0 "[ . 1 ]" 1
949 1 65 GLU QB 1 66 ARG H 2.765 . 3.730 2.605 2.244 2.931 . 0 0 "[ . 1 ]" 1
950 1 66 ARG H 1 66 ARG QB 2.415 . 3.030 2.329 2.200 2.470 . 0 0 "[ . 1 ]" 1
951 1 66 ARG H 1 66 ARG QG 2.930 . 4.060 2.995 2.244 4.067 0.007 11 0 "[ . 1 ]" 1
952 1 58 GLU HA 1 61 VAL H 2.815 . 3.830 3.142 2.900 3.463 . 0 0 "[ . 1 ]" 1
953 1 60 ALA H 1 61 VAL H 2.685 . 3.570 2.487 2.349 2.562 . 0 0 "[ . 1 ]" 1
954 1 66 ARG H 1 68 MET H 3.650 . 5.500 4.168 3.828 4.393 . 0 0 "[ . 1 ]" 1
955 1 68 MET H 1 69 ALA H 2.510 . 3.220 2.695 2.475 2.876 . 0 0 "[ . 1 ]" 1
956 1 65 GLU HA 1 68 MET H 2.950 . 4.100 3.467 3.070 3.893 . 0 0 "[ . 1 ]" 1
957 1 66 ARG HA 1 68 MET H 3.180 . 4.560 4.513 4.149 4.658 0.098 10 0 "[ . 1 ]" 1
958 1 68 MET H 1 68 MET QG 2.765 . 3.730 2.299 2.189 2.450 . 0 0 "[ . 1 ]" 1
959 1 68 MET H 1 68 MET QB 2.370 . 2.940 2.427 2.303 2.515 . 0 0 "[ . 1 ]" 1
960 1 67 ARG QB 1 68 MET H 3.230 . 3.800 2.492 2.189 3.688 . 0 0 "[ . 1 ]" 1
961 1 67 ARG QG 1 68 MET H 3.265 . 4.730 3.551 2.600 4.352 . 0 0 "[ . 1 ]" 1
962 1 6 THR HB 1 8 PHE H 3.515 . 5.230 4.292 3.805 4.944 . 0 0 "[ . 1 ]" 1
963 1 8 PHE H 1 8 PHE HB2 2.935 . 4.070 3.032 2.517 3.272 . 0 0 "[ . 1 ]" 1
964 1 8 PHE H 1 8 PHE HB3 2.935 . 4.070 2.702 2.488 3.703 . 0 0 "[ . 1 ]" 1
965 1 7 ARG QB 1 8 PHE H 2.655 . 3.510 2.368 1.720 2.917 0.080 1 0 "[ . 1 ]" 1
966 1 18 PRO HA 1 19 ARG H 2.590 . 3.380 3.164 2.306 3.497 0.117 11 0 "[ . 1 ]" 1
967 1 33 ARG QG 1 34 SER H 3.185 . 4.570 3.859 2.306 4.286 . 0 0 "[ . 1 ]" 1
968 1 34 SER H 1 36 GLY H 3.325 . 4.850 4.639 4.302 4.883 0.033 3 0 "[ . 1 ]" 1
969 1 32 ALA MB 1 34 SER H 3.490 . 5.180 4.529 4.277 4.641 . 0 0 "[ . 1 ]" 1
970 1 26 ALA H 1 29 THR H 3.560 . 5.320 4.633 4.305 4.788 . 0 0 "[ . 1 ]" 1
971 1 28 LEU H 1 29 THR H 3.060 . 4.320 2.545 2.310 2.863 . 0 0 "[ . 1 ]" 1
972 1 28 LEU QB 1 29 THR H 3.100 . 4.400 3.615 3.353 3.784 . 0 0 "[ . 1 ]" 1
973 1 29 THR H 1 29 THR MG 2.880 . 3.960 3.767 3.727 3.789 . 0 0 "[ . 1 ]" 1
974 1 28 LEU MD1 1 29 THR H 3.500 . 5.200 2.952 2.401 3.371 . 0 0 "[ . 1 ]" 1
975 1 28 LEU HG 1 29 THR H 3.385 . 4.970 2.357 1.792 2.707 0.008 2 0 "[ . 1 ]" 1
976 1 28 LEU MD2 1 29 THR H 2.915 . 4.030 3.999 3.580 4.280 0.250 1 0 "[ . 1 ]" 1
977 1 26 ALA HA 1 29 THR H 2.940 . 4.080 3.440 3.203 3.885 . 0 0 "[ . 1 ]" 1
978 1 57 ALA H 1 58 GLU H 2.620 . 3.440 3.028 2.927 3.186 . 0 0 "[ . 1 ]" 1
979 1 58 GLU H 1 58 GLU QB 2.750 . 3.010 2.618 2.445 2.946 . 0 0 "[ . 1 ]" 1
980 1 57 ALA MB 1 58 GLU H 2.475 . 3.150 2.182 1.946 2.511 . 0 0 "[ . 1 ]" 1
981 1 103 ARG H 1 104 LEU H 3.320 . 4.840 2.892 2.135 3.323 . 0 0 "[ . 1 ]" 1
982 1 100 CYS HA 1 103 ARG H 3.445 . 5.090 3.129 2.761 3.505 . 0 0 "[ . 1 ]" 1
983 1 103 ARG H 1 103 ARG QD 3.260 . 4.720 4.593 4.095 4.823 0.103 11 0 "[ . 1 ]" 1
984 1 103 ARG H 1 103 ARG QB 2.570 . 2.780 2.280 2.167 2.375 . 0 0 "[ . 1 ]" 1
985 1 103 ARG H 1 103 ARG QG 2.990 . 4.180 3.979 3.833 4.092 . 0 0 "[ . 1 ]" 1
986 1 62 SER H 1 65 GLU H 3.650 . 5.500 4.719 4.595 4.976 . 0 0 "[ . 1 ]" 1
987 1 61 VAL H 1 62 SER H 2.635 . 3.470 2.646 2.463 2.763 . 0 0 "[ . 1 ]" 1
988 1 61 VAL HB 1 62 SER H 2.585 . 3.370 2.618 2.448 2.769 . 0 0 "[ . 1 ]" 1
989 1 60 ALA MB 1 62 SER H 3.650 . 5.500 4.774 4.552 5.005 . 0 0 "[ . 1 ]" 1
990 1 61 VAL MG2 1 62 SER H 2.940 . 4.080 3.948 3.864 4.010 . 0 0 "[ . 1 ]" 1
991 1 61 VAL MG1 1 62 SER H 2.810 . 3.820 3.134 2.902 3.445 . 0 0 "[ . 1 ]" 1
992 1 100 CYS HA 1 103 ARG HE 3.650 . 5.500 4.000 2.762 5.658 0.158 6 0 "[ . 1 ]" 1
993 1 37 PHE HZ 1 94 GLN H 3.100 . 4.400 3.237 2.889 3.765 . 0 0 "[ . 1 ]" 1
994 1 89 SER HA 1 94 GLN H 3.250 . 4.700 3.594 3.419 3.839 . 0 0 "[ . 1 ]" 1
995 1 90 LEU HA 1 94 GLN H 3.650 . 5.500 4.572 4.245 4.858 . 0 0 "[ . 1 ]" 1
996 1 89 SER QB 1 94 GLN H 3.650 . 5.500 3.953 3.765 4.125 . 0 0 "[ . 1 ]" 1
997 1 94 GLN H 1 94 GLN QB 2.920 . 3.510 3.249 3.150 3.351 . 0 0 "[ . 1 ]" 1
998 1 94 GLN H 1 94 GLN QG 2.935 . 3.320 2.543 2.308 2.742 . 0 0 "[ . 1 ]" 1
999 1 92 ALA MB 1 94 GLN H 2.535 . 3.270 2.617 2.469 2.753 . 0 0 "[ . 1 ]" 1
1000 1 94 GLN H 1 96 VAL MG1 3.650 . 5.500 3.877 3.629 4.158 . 0 0 "[ . 1 ]" 1
1001 1 40 LEU QD 1 48 THR H 3.360 . 4.920 4.584 4.248 4.867 . 0 0 "[ . 1 ]" 1
1002 1 87 THR H 1 88 GLU H 2.665 . 3.530 2.882 2.810 3.002 . 0 0 "[ . 1 ]" 1
1003 1 86 LEU H 1 87 THR H 2.555 . 3.310 2.543 2.324 2.752 . 0 0 "[ . 1 ]" 1
1004 1 87 THR H 1 87 THR HB 2.790 . 3.780 3.565 3.508 3.621 . 0 0 "[ . 1 ]" 1
1005 1 86 LEU QB 1 87 THR H 2.780 . 3.270 2.511 2.307 2.792 . 0 0 "[ . 1 ]" 1
1006 1 87 THR H 1 87 THR MG 2.520 . 3.240 2.402 2.131 2.620 . 0 0 "[ . 1 ]" 1
1007 1 83 ILE MD 1 87 THR H 2.760 . 3.720 3.691 3.476 3.858 0.138 7 0 "[ . 1 ]" 1
1008 1 86 LEU HG 1 87 THR H 3.005 . 4.210 3.846 3.591 4.112 . 0 0 "[ . 1 ]" 1
1009 1 86 LEU QD 1 87 THR H 3.250 . 4.700 3.914 3.756 4.072 . 0 0 "[ . 1 ]" 1
1010 1 55 THR H 1 60 ALA MB 3.650 . 5.500 5.582 5.364 5.654 0.154 1 0 "[ . 1 ]" 1
1011 1 53 GLU HA 1 55 THR H 2.755 . 3.710 3.590 3.190 4.160 0.450 1 0 "[ . 1 ]" 1
1012 1 55 THR H 1 55 THR HB 2.585 . 3.370 2.714 2.587 2.996 . 0 0 "[ . 1 ]" 1
1013 1 54 GLU QG 1 55 THR H 3.650 . 5.500 4.465 4.290 4.514 . 0 0 "[ . 1 ]" 1
1014 1 53 GLU QG 1 55 THR H 3.650 . 5.500 4.921 4.426 5.300 . 0 0 "[ . 1 ]" 1
1015 1 55 THR H 1 55 THR MG 3.305 . 4.810 3.832 3.562 3.913 . 0 0 "[ . 1 ]" 1
1016 1 55 THR H 1 56 SER H 3.195 . 4.590 4.257 4.009 4.459 . 0 0 "[ . 1 ]" 1
1017 1 64 GLN HE21 1 80 LEU HG 3.650 . 5.500 5.503 5.123 5.694 0.194 9 0 "[ . 1 ]" 1
1018 1 64 GLN HE21 1 65 GLU QG 3.650 . 5.500 3.838 3.488 4.156 . 0 0 "[ . 1 ]" 1
1019 1 64 GLN HE21 1 65 GLU QB 3.650 . 5.500 5.494 5.167 5.666 0.166 9 0 "[ . 1 ]" 1
1020 1 29 THR H 1 30 GLY H 2.650 . 3.500 2.761 2.567 3.059 . 0 0 "[ . 1 ]" 1
1021 1 27 PHE HA 1 30 GLY H 2.955 . 4.110 4.124 3.853 4.301 0.191 1 0 "[ . 1 ]" 1
1022 1 26 ALA HA 1 30 GLY H 3.135 . 4.470 3.823 3.620 3.970 . 0 0 "[ . 1 ]" 1
1023 1 28 LEU HA 1 30 GLY H 3.380 . 4.960 4.831 4.299 5.053 0.093 5 0 "[ . 1 ]" 1
1024 1 29 THR MG 1 30 GLY H 2.870 . 3.940 3.129 2.840 3.608 . 0 0 "[ . 1 ]" 1
1025 1 92 ALA H 1 93 GLY H 2.550 . 3.300 2.475 2.029 2.705 . 0 0 "[ . 1 ]" 1
1026 1 91 GLY QA 1 93 GLY H 3.580 . 5.360 3.927 3.754 4.148 . 0 0 "[ . 1 ]" 1
1027 1 90 LEU HA 1 93 GLY H 2.955 . 4.110 3.428 3.032 3.668 . 0 0 "[ . 1 ]" 1
1028 1 92 ALA MB 1 93 GLY H 2.560 . 3.320 2.788 2.685 2.983 . 0 0 "[ . 1 ]" 1
1029 1 20 MET ME 1 21 GLY H 3.570 . 5.340 4.684 4.379 4.904 . 0 0 "[ . 1 ]" 1
1030 1 11 VAL HA 1 12 ALA H 2.595 . 3.390 2.172 2.095 2.323 . 0 0 "[ . 1 ]" 1
1031 1 11 VAL MG1 1 12 ALA H 3.420 . 5.040 3.363 2.947 4.205 . 0 0 "[ . 1 ]" 1
1032 1 12 ALA H 1 13 ILE MD 3.650 . 5.500 5.273 3.713 5.743 0.243 1 0 "[ . 1 ]" 1
1033 1 91 GLY H 1 93 GLY H 3.490 . 5.180 3.854 3.530 4.260 . 0 0 "[ . 1 ]" 1
1034 1 90 LEU QB 1 91 GLY H 2.790 . 3.780 2.597 2.171 3.053 . 0 0 "[ . 1 ]" 1
1035 1 90 LEU H 1 91 GLY H 2.625 . 3.450 2.751 2.426 2.900 . 0 0 "[ . 1 ]" 1
1036 1 91 GLY H 1 92 ALA H 2.515 . 3.230 2.685 2.253 2.988 . 0 0 "[ . 1 ]" 1
1037 1 88 GLU HA 1 91 GLY H 2.790 . 3.780 3.263 3.106 3.446 . 0 0 "[ . 1 ]" 1
1038 1 90 LEU HG 1 91 GLY H 3.430 . 5.060 4.419 4.077 4.909 . 0 0 "[ . 1 ]" 1
1039 1 91 GLY H 1 92 ALA MB 3.525 . 5.250 4.381 4.037 4.714 . 0 0 "[ . 1 ]" 1
1040 1 90 LEU MD2 1 91 GLY H 3.650 . 5.500 4.459 4.355 4.593 . 0 0 "[ . 1 ]" 1
1041 1 12 ALA H 1 48 THR HB 3.135 . 4.470 4.289 4.104 4.487 0.017 10 0 "[ . 1 ]" 1
1042 1 99 GLU H 1 102 HIS H 3.650 . 5.500 4.062 3.582 4.706 . 0 0 "[ . 1 ]" 1
1043 1 98 VAL HA 1 99 GLU H 2.560 . 3.320 2.139 2.104 2.249 . 0 0 "[ . 1 ]" 1
1044 1 99 GLU H 1 99 GLU QG 2.680 . 3.560 2.531 1.792 3.717 0.157 5 0 "[ . 1 ]" 1
1045 1 98 VAL MG1 1 99 GLU H 3.255 . 4.710 3.930 2.706 4.258 . 0 0 "[ . 1 ]" 1
1046 1 98 VAL MG2 1 99 GLU H 3.255 . 4.710 3.231 2.580 4.175 . 0 0 "[ . 1 ]" 1
1047 1 33 ARG HA 1 36 GLY H 3.190 . 4.580 4.018 3.705 4.366 . 0 0 "[ . 1 ]" 1
1048 1 34 SER HA 1 36 GLY H 3.650 . 5.500 4.976 4.797 5.141 . 0 0 "[ . 1 ]" 1
1049 1 35 LYS QG 1 36 GLY H 3.505 . 5.210 4.025 3.695 4.258 . 0 0 "[ . 1 ]" 1
1050 1 36 GLY H 1 37 PHE QB 3.650 . 5.500 3.883 3.544 4.209 . 0 0 "[ . 1 ]" 1
1051 1 12 ALA H 1 48 THR H 3.575 . 5.350 3.263 2.897 3.763 . 0 0 "[ . 1 ]" 1
1052 1 7 ARG H 1 8 PHE H 2.490 . 3.180 2.784 1.829 4.059 0.879 1 1 "[+ . 1 ]" 1
1053 1 16 VAL MG1 1 17 GLU H 3.635 . 5.470 3.581 2.893 4.179 . 0 0 "[ . 1 ]" 1
1054 1 22 ARG H 1 22 ARG QD 3.650 . 5.500 4.363 4.000 4.755 . 0 0 "[ . 1 ]" 1
1055 1 98 VAL HB 1 99 GLU H 3.605 . 5.410 4.296 4.107 4.520 . 0 0 "[ . 1 ]" 1
1056 1 99 GLU H 1 102 HIS QB 3.650 . 5.500 3.347 2.439 4.140 . 0 0 "[ . 1 ]" 1
1057 1 71 ALA MB 1 75 CYS H 3.540 . 5.280 4.333 3.832 4.554 . 0 0 "[ . 1 ]" 1
1058 1 75 CYS H 1 76 THR H 3.650 . 5.500 4.521 4.323 4.614 . 0 0 "[ . 1 ]" 1
1059 1 68 MET ME 1 71 ALA H 3.650 . 5.500 4.136 3.658 4.548 . 0 0 "[ . 1 ]" 1
1060 1 38 ARG H 1 38 ARG QD 3.650 . 5.500 4.234 3.867 4.551 . 0 0 "[ . 1 ]" 1
1061 1 6 THR MG 1 38 ARG H 3.650 . 5.500 5.317 4.987 5.610 0.110 10 0 "[ . 1 ]" 1
1062 1 8 PHE H 1 38 ARG H 3.650 . 5.500 3.826 3.404 4.510 . 0 0 "[ . 1 ]" 1
1063 1 37 PHE H 1 38 ARG H 3.650 . 5.500 4.417 4.245 4.526 . 0 0 "[ . 1 ]" 1
1064 1 98 VAL H 1 99 GLU H 3.650 . 5.500 4.361 3.971 4.561 . 0 0 "[ . 1 ]" 1
1065 1 63 TRP H 1 63 TRP HD1 3.650 . 5.500 4.568 4.148 4.889 . 0 0 "[ . 1 ]" 1
1066 1 27 PHE H 1 27 PHE QD 3.305 . 4.810 3.556 3.355 3.743 . 0 0 "[ . 1 ]" 1
1067 1 27 PHE H 1 27 PHE QE 3.650 . 5.500 5.710 5.539 5.855 0.355 1 0 "[ . 1 ]" 1
1068 1 50 VAL H 1 79 ALA H 3.565 . 5.330 3.596 3.141 4.121 . 0 0 "[ . 1 ]" 1
1069 1 14 TYR H 1 14 TYR QD 3.650 . 5.500 4.282 4.208 4.349 . 0 0 "[ . 1 ]" 1
1070 1 37 PHE QE 1 94 GLN H 3.650 . 5.500 4.220 3.897 4.363 . 0 0 "[ . 1 ]" 1
1071 1 9 PRO QG 1 10 GLY H 3.650 . 5.500 4.053 3.114 4.749 . 0 0 "[ . 1 ]" 1
1072 1 11 VAL H 1 12 ALA H 3.650 . 5.500 4.201 3.860 4.599 . 0 0 "[ . 1 ]" 1
1073 1 12 ALA H 1 49 HIS H 3.650 . 5.500 5.110 4.516 5.623 0.123 6 0 "[ . 1 ]" 1
1074 1 40 LEU H 1 41 ASP H 3.650 . 5.500 4.457 4.283 4.614 . 0 0 "[ . 1 ]" 1
1075 1 12 ALA H 1 13 ILE H 3.650 . 5.500 4.330 4.079 4.525 . 0 0 "[ . 1 ]" 1
1076 1 85 TRP HE1 1 98 VAL H 3.565 . 5.330 4.152 3.627 4.847 . 0 0 "[ . 1 ]" 1
1077 1 13 ILE H 1 14 TYR H 3.365 . 4.930 4.277 4.181 4.356 . 0 0 "[ . 1 ]" 1
1078 1 14 TYR QB 1 15 LEU H 3.400 . 5.000 3.654 3.457 3.779 . 0 0 "[ . 1 ]" 1
1079 1 13 ILE HB 1 15 LEU H 3.650 . 5.500 5.664 5.497 5.877 0.377 10 0 "[ . 1 ]" 1
1080 1 15 LEU H 1 20 MET ME 3.650 . 5.500 5.372 5.157 5.555 0.055 5 0 "[ . 1 ]" 1
1081 1 14 TYR QD 1 15 LEU H 3.650 . 5.500 3.210 2.900 3.594 . 0 0 "[ . 1 ]" 1
1082 1 15 LEU H 1 15 LEU QD 3.405 . 5.010 2.762 2.075 3.208 . 0 0 "[ . 1 ]" 1
1083 1 39 VAL H 1 40 LEU H 3.340 . 4.880 4.272 4.020 4.461 . 0 0 "[ . 1 ]" 1
1084 1 38 ARG H 1 39 VAL H 3.520 . 5.240 4.279 4.009 4.493 . 0 0 "[ . 1 ]" 1
1085 1 6 THR MG 1 39 VAL H 3.315 . 4.830 2.418 1.763 3.417 0.037 6 0 "[ . 1 ]" 1
1086 1 14 TYR QD 1 40 LEU H 3.650 . 5.500 4.858 3.944 5.501 0.001 5 0 "[ . 1 ]" 1
1087 1 33 ARG H 1 37 PHE H 3.650 . 5.500 5.178 4.962 5.482 . 0 0 "[ . 1 ]" 1
1088 1 47 ALA H 1 48 THR H 3.650 . 5.500 4.559 4.243 4.660 . 0 0 "[ . 1 ]" 1
1089 1 16 VAL H 1 51 VAL H 3.375 . 4.950 4.088 3.454 4.644 . 0 0 "[ . 1 ]" 1
1090 1 52 MET H 1 83 ILE H 3.650 . 5.500 2.816 1.781 4.316 0.019 11 0 "[ . 1 ]" 1
1091 1 52 MET H 1 53 GLU H 3.455 . 5.110 4.418 4.281 4.552 . 0 0 "[ . 1 ]" 1
1092 1 53 GLU H 1 54 GLU H 3.650 . 5.500 4.489 4.428 4.557 . 0 0 "[ . 1 ]" 1
1093 1 56 SER H 1 59 GLU H 3.650 . 5.500 4.193 3.906 4.808 . 0 0 "[ . 1 ]" 1
1094 1 57 ALA H 1 60 ALA H 3.650 . 5.500 5.056 4.840 5.501 0.001 11 0 "[ . 1 ]" 1
1095 1 80 LEU H 1 81 LEU H 3.650 . 5.500 4.486 4.329 4.702 . 0 0 "[ . 1 ]" 1
1096 1 52 MET H 1 81 LEU H 3.650 . 5.500 4.989 4.306 5.530 0.030 11 0 "[ . 1 ]" 1
1097 1 50 VAL H 1 81 LEU H 3.240 . 4.680 4.297 3.426 4.910 0.230 4 0 "[ . 1 ]" 1
1098 1 81 LEU H 1 81 LEU MD2 3.650 . 5.500 4.015 2.147 4.347 . 0 0 "[ . 1 ]" 1
1099 1 11 VAL H 1 12 ALA MB 3.650 . 5.500 4.849 4.413 5.344 . 0 0 "[ . 1 ]" 1
1100 1 12 ALA H 1 47 ALA HA 3.650 . 5.500 4.322 3.990 4.771 . 0 0 "[ . 1 ]" 1
1101 1 11 VAL HB 1 12 ALA H 3.650 . 5.500 4.301 4.018 4.458 . 0 0 "[ . 1 ]" 1
1102 1 52 MET H 1 83 ILE MG 3.650 . 5.500 4.124 3.447 4.912 . 0 0 "[ . 1 ]" 1
1103 1 85 TRP HE1 1 96 VAL HB 3.650 . 5.500 5.224 5.017 5.496 . 0 0 "[ . 1 ]" 1
1104 1 85 TRP HE1 1 95 PRO HA 3.650 . 5.500 3.867 3.562 4.184 . 0 0 "[ . 1 ]" 1
1105 1 85 TRP HE1 1 97 PRO HA 3.650 . 5.500 4.684 4.311 5.503 0.003 3 0 "[ . 1 ]" 1
1106 1 85 TRP HE1 1 96 VAL HA 3.650 . 5.500 5.043 4.821 5.293 . 0 0 "[ . 1 ]" 1
1107 1 64 GLN HE22 1 80 LEU QD 3.650 . 5.500 2.865 2.285 3.745 . 0 0 "[ . 1 ]" 1
1108 1 25 ARG H 1 28 LEU H 3.650 . 5.500 4.828 4.660 5.171 . 0 0 "[ . 1 ]" 1
1109 1 25 ARG H 1 25 ARG QD 3.650 . 5.500 4.406 3.996 4.713 . 0 0 "[ . 1 ]" 1
1110 1 20 MET QG 1 25 ARG H 3.650 . 5.500 3.817 2.953 5.694 0.194 11 0 "[ . 1 ]" 1
1111 1 25 ARG H 1 28 LEU HG 3.650 . 5.500 4.789 4.432 5.080 . 0 0 "[ . 1 ]" 1
1112 1 82 ASP H 1 83 ILE H 3.650 . 5.500 4.457 4.166 4.554 . 0 0 "[ . 1 ]" 1
1113 1 82 ASP H 1 104 LEU H 3.650 . 5.500 4.456 3.335 5.576 0.076 2 0 "[ . 1 ]" 1
1114 1 82 ASP H 1 85 TRP H 3.650 . 5.500 4.214 3.676 4.751 . 0 0 "[ . 1 ]" 1
1115 1 82 ASP H 1 84 SER H 3.650 . 5.500 4.251 3.942 4.557 . 0 0 "[ . 1 ]" 1
1116 1 27 PHE H 1 28 LEU MD2 3.650 . 5.500 4.708 4.048 5.035 . 0 0 "[ . 1 ]" 1
1117 1 27 PHE QE 1 28 LEU H 3.650 . 5.500 4.170 4.003 4.456 . 0 0 "[ . 1 ]" 1
1118 1 33 ARG H 1 35 LYS H 3.650 . 5.500 3.833 3.714 3.909 . 0 0 "[ . 1 ]" 1
1119 1 24 ARG H 1 24 ARG QG 3.650 . 5.500 3.913 3.173 4.044 . 0 0 "[ . 1 ]" 1
1120 1 24 ARG H 1 25 ARG QB 3.650 . 5.500 4.268 4.059 4.543 . 0 0 "[ . 1 ]" 1
1121 1 24 ARG H 1 24 ARG QD 3.650 . 5.500 4.411 4.140 4.815 . 0 0 "[ . 1 ]" 1
1122 1 101 ARG QB 1 101 ARG HE 3.650 . 5.500 3.120 1.980 4.040 . 0 0 "[ . 1 ]" 1
1123 1 20 MET ME 1 24 ARG HE 3.650 . 5.500 4.459 3.856 5.515 0.015 4 0 "[ . 1 ]" 1
1124 1 24 ARG QB 1 24 ARG HE 3.650 . 5.500 3.819 2.853 4.191 . 0 0 "[ . 1 ]" 1
1125 1 24 ARG HE 1 83 ILE QG 3.650 . 5.500 2.051 1.786 2.381 0.014 3 0 "[ . 1 ]" 1
1126 1 24 ARG HE 1 28 LEU MD2 3.650 . 5.500 3.384 2.152 4.679 . 0 0 "[ . 1 ]" 1
1127 1 24 ARG HE 1 83 ILE MD 3.650 . 5.500 3.272 2.847 3.947 . 0 0 "[ . 1 ]" 1
1128 1 24 ARG H 1 26 ALA H 3.650 . 5.500 4.417 4.032 4.801 . 0 0 "[ . 1 ]" 1
1129 1 26 ALA H 1 28 LEU H 3.650 . 5.500 4.380 3.363 4.694 . 0 0 "[ . 1 ]" 1
1130 1 22 ARG QD 1 26 ALA H 3.650 . 5.500 5.249 4.264 5.646 0.146 10 0 "[ . 1 ]" 1
1131 1 52 MET H 1 83 ILE HA 3.650 . 5.500 3.850 3.411 4.575 . 0 0 "[ . 1 ]" 1
1132 1 6 THR HB 1 38 ARG H 3.650 . 5.500 4.297 4.087 4.487 . 0 0 "[ . 1 ]" 1
1133 1 14 TYR QB 1 40 LEU H 3.650 . 5.500 4.498 3.835 5.348 . 0 0 "[ . 1 ]" 1
1134 1 12 ALA MB 1 40 LEU H 3.650 . 5.500 4.125 3.703 4.482 . 0 0 "[ . 1 ]" 1
1135 1 14 TYR H 1 40 LEU H 3.650 . 5.500 4.563 4.325 5.003 . 0 0 "[ . 1 ]" 1
1136 1 15 LEU H 1 40 LEU H 3.650 . 5.500 5.148 4.833 5.600 0.100 7 0 "[ . 1 ]" 1
1137 1 60 ALA HA 1 63 TRP HE1 3.650 . 5.500 5.554 5.449 5.905 0.405 1 0 "[ . 1 ]" 1
1138 1 60 ALA MB 1 63 TRP HE1 3.650 . 5.500 4.736 4.405 5.292 . 0 0 "[ . 1 ]" 1
1139 1 14 TYR QE 1 63 TRP HE1 3.650 . 5.500 4.605 4.154 5.391 . 0 0 "[ . 1 ]" 1
1140 1 16 VAL H 1 17 GLU H 3.650 . 5.500 4.172 3.916 4.530 . 0 0 "[ . 1 ]" 1
1141 1 6 THR MG 1 9 PRO QB 3.570 . 5.340 5.390 4.998 5.518 0.178 6 0 "[ . 1 ]" 1
1142 1 7 ARG H 1 8 PHE QB 3.570 . 5.340 4.815 3.853 5.830 0.490 1 0 "[ . 1 ]" 1
1143 1 7 ARG QB 1 36 GLY QA 3.230 . 4.660 3.330 2.326 4.688 0.028 10 0 "[ . 1 ]" 1
1144 1 7 ARG QD 1 36 GLY QA 3.250 . 4.700 3.111 1.892 3.802 . 0 0 "[ . 1 ]" 1
1145 1 8 PHE H 1 8 PHE QB 2.600 . 3.400 2.469 2.339 2.696 . 0 0 "[ . 1 ]" 1
1146 1 8 PHE QD 1 11 VAL QG 3.620 . 5.440 3.060 2.466 4.058 . 0 0 "[ . 1 ]" 1
1147 1 9 PRO HA 1 10 GLY QA 3.425 . 5.050 4.172 3.951 4.473 . 0 0 "[ . 1 ]" 1
1148 1 9 PRO QB 1 10 GLY QA 3.490 . 5.180 3.808 3.394 4.153 . 0 0 "[ . 1 ]" 1
1149 1 11 VAL H 1 11 VAL QG 2.440 . 3.080 2.474 1.897 2.923 . 0 0 "[ . 1 ]" 1
1150 1 11 VAL HA 1 11 VAL QG 2.250 . 2.700 2.192 2.111 2.370 . 0 0 "[ . 1 ]" 1
1151 1 11 VAL QG 1 12 ALA H 2.825 . 3.850 2.906 2.361 3.455 . 0 0 "[ . 1 ]" 1
1152 1 11 VAL QG 1 12 ALA MB 3.620 . 5.440 4.084 3.772 4.359 . 0 0 "[ . 1 ]" 1
1153 1 11 VAL QG 1 13 ILE H 3.385 . 4.970 4.062 3.482 4.571 . 0 0 "[ . 1 ]" 1
1154 1 11 VAL QG 1 13 ILE HB 3.605 . 5.410 4.592 4.332 4.848 . 0 0 "[ . 1 ]" 1
1155 1 11 VAL QG 1 13 ILE MG 3.225 . 4.650 4.103 3.798 4.683 0.033 10 0 "[ . 1 ]" 1
1156 1 11 VAL QG 1 13 ILE QG 2.560 . 3.320 2.318 1.957 3.063 . 0 0 "[ . 1 ]" 1
1157 1 11 VAL QG 1 13 ILE MD 2.585 . 3.370 2.527 1.799 2.854 0.001 10 0 "[ . 1 ]" 1
1158 1 11 VAL QG 1 37 PHE HA 3.620 . 5.440 3.450 2.781 4.144 . 0 0 "[ . 1 ]" 1
1159 1 11 VAL QG 1 37 PHE QB 3.620 . 5.440 3.059 2.247 3.999 . 0 0 "[ . 1 ]" 1
1160 1 11 VAL QG 1 37 PHE QD 3.620 . 5.440 2.271 1.766 3.179 0.034 7 0 "[ . 1 ]" 1
1161 1 11 VAL QG 1 48 THR HB 3.620 . 5.440 5.383 5.063 5.583 0.143 6 0 "[ . 1 ]" 1
1162 1 11 VAL QG 1 48 THR MG 2.595 . 3.390 2.897 2.479 3.063 . 0 0 "[ . 1 ]" 1
1163 1 11 VAL QG 1 49 HIS QB 3.540 . 5.280 3.352 2.536 3.918 . 0 0 "[ . 1 ]" 1
1164 1 11 VAL QG 1 85 TRP HE1 3.260 . 4.720 4.554 4.082 4.857 0.137 1 0 "[ . 1 ]" 1
1165 1 11 VAL QG 1 85 TRP HZ3 3.620 . 5.440 4.211 3.748 4.647 . 0 0 "[ . 1 ]" 1
1166 1 11 VAL QG 1 85 TRP HH2 2.755 . 3.710 2.408 1.946 2.829 . 0 0 "[ . 1 ]" 1
1167 1 11 VAL QG 1 95 PRO HA 3.620 . 5.440 3.826 3.619 4.228 . 0 0 "[ . 1 ]" 1
1168 1 11 VAL QG 1 95 PRO QB 2.230 . 2.660 2.106 1.837 2.481 . 0 0 "[ . 1 ]" 1
1169 1 11 VAL QG 1 95 PRO QG 2.195 . 2.590 2.195 1.797 2.603 0.013 2 0 "[ . 1 ]" 1
1170 1 12 ALA MB 1 46 GLU QB 3.080 . 4.360 3.892 3.434 4.383 0.023 9 0 "[ . 1 ]" 1
1171 1 12 ALA MB 1 46 GLU QG 2.950 . 4.100 3.156 2.592 3.857 . 0 0 "[ . 1 ]" 1
1172 1 12 ALA MB 1 49 HIS QB 3.570 . 5.340 4.651 3.856 5.236 . 0 0 "[ . 1 ]" 1
1173 1 13 ILE H 1 40 LEU QB 2.760 . 3.720 2.660 2.085 3.037 . 0 0 "[ . 1 ]" 1
1174 1 13 ILE H 1 49 HIS QB 3.570 . 5.340 4.581 3.911 5.350 0.010 5 0 "[ . 1 ]" 1
1175 1 14 TYR H 1 49 HIS QB 3.395 . 4.990 3.523 2.933 3.783 . 0 0 "[ . 1 ]" 1
1176 1 14 TYR QB 1 16 VAL QG 3.620 . 5.440 4.726 4.153 5.290 . 0 0 "[ . 1 ]" 1
1177 1 14 TYR QB 1 50 VAL QG 2.685 . 3.570 2.475 2.026 2.944 . 0 0 "[ . 1 ]" 1
1178 1 14 TYR QD 1 16 VAL QG 3.120 . 4.440 3.432 2.847 3.939 . 0 0 "[ . 1 ]" 1
1179 1 14 TYR QD 1 50 VAL QG 2.390 . 2.980 2.635 2.145 2.993 0.013 9 0 "[ . 1 ]" 1
1180 1 14 TYR QE 1 16 VAL QG 2.970 . 4.140 3.202 2.290 4.016 . 0 0 "[ . 1 ]" 1
1181 1 15 LEU HA 1 16 VAL QG 3.620 . 5.440 3.372 3.275 3.522 . 0 0 "[ . 1 ]" 1
1182 1 15 LEU QD 1 16 VAL QG 3.620 . 5.440 4.469 4.065 4.806 . 0 0 "[ . 1 ]" 1
1183 1 16 VAL H 1 16 VAL QG 2.625 . 3.450 1.936 1.764 2.113 0.036 2 0 "[ . 1 ]" 1
1184 1 16 VAL HA 1 16 VAL QG 2.315 . 2.830 2.166 2.121 2.276 . 0 0 "[ . 1 ]" 1
1185 1 16 VAL HB 1 50 VAL QG 3.620 . 5.440 4.769 4.361 5.515 0.075 11 0 "[ . 1 ]" 1
1186 1 16 VAL QG 1 17 GLU H 2.870 . 3.940 3.357 2.838 3.748 . 0 0 "[ . 1 ]" 1
1187 1 16 VAL QG 1 18 PRO QG 3.240 . 4.680 3.019 1.981 4.411 . 0 0 "[ . 1 ]" 1
1188 1 16 VAL QG 1 20 MET ME 3.620 . 5.440 3.442 1.754 4.138 0.046 9 0 "[ . 1 ]" 1
1189 1 16 VAL QG 1 50 VAL QG 2.345 . 2.890 2.443 2.138 2.901 0.011 11 0 "[ . 1 ]" 1
1190 1 16 VAL QG 1 51 VAL H 3.620 . 5.440 3.829 3.094 4.503 . 0 0 "[ . 1 ]" 1
1191 1 16 VAL QG 1 51 VAL QG 3.535 . 5.270 4.163 3.757 4.632 . 0 0 "[ . 1 ]" 1
1192 1 16 VAL QG 1 52 MET HA 3.620 . 5.440 2.968 1.791 3.705 0.009 2 0 "[ . 1 ]" 1
1193 1 16 VAL QG 1 52 MET QG 2.355 . 2.910 2.127 1.730 3.314 0.404 1 0 "[ . 1 ]" 1
1194 1 16 VAL QG 1 52 MET ME 2.330 . 2.860 1.889 1.655 2.625 0.145 10 0 "[ . 1 ]" 1
1195 1 16 VAL QG 1 60 ALA HA 3.620 . 5.440 4.411 4.236 4.663 . 0 0 "[ . 1 ]" 1
1196 1 16 VAL QG 1 60 ALA MB 2.850 . 3.900 4.062 3.872 4.416 0.516 1 1 "[+ . 1 ]" 1
1197 1 16 VAL QG 1 63 TRP HD1 3.620 . 5.440 3.459 3.209 3.792 . 0 0 "[ . 1 ]" 1
1198 1 16 VAL QG 1 63 TRP HE1 2.995 . 4.190 2.799 2.417 3.234 . 0 0 "[ . 1 ]" 1
1199 1 16 VAL QG 1 63 TRP HZ3 3.620 . 5.440 3.749 3.190 4.409 . 0 0 "[ . 1 ]" 1
1200 1 16 VAL QG 1 63 TRP HZ2 3.620 . 5.440 2.842 2.567 3.154 . 0 0 "[ . 1 ]" 1
1201 1 16 VAL QG 1 63 TRP HH2 3.620 . 5.440 3.528 3.310 3.866 . 0 0 "[ . 1 ]" 1
1202 1 17 GLU H 1 18 PRO QB 3.570 . 5.340 5.246 4.995 5.360 0.020 2 0 "[ . 1 ]" 1
1203 1 20 MET ME 1 50 VAL QG 3.620 . 5.440 5.172 4.904 5.529 0.089 10 0 "[ . 1 ]" 1
1204 1 22 ARG HA 1 22 ARG QB 2.190 . 2.580 2.274 2.166 2.375 . 0 0 "[ . 1 ]" 1
1205 1 22 ARG QB 1 26 ALA MB 3.570 . 5.340 4.179 3.515 4.850 . 0 0 "[ . 1 ]" 1
1206 1 22 ARG QG 1 24 ARG H 3.500 . 5.200 5.064 4.604 5.642 0.442 1 0 "[ . 1 ]" 1
1207 1 22 ARG QG 1 26 ALA H 3.570 . 5.340 4.139 3.265 4.946 . 0 0 "[ . 1 ]" 1
1208 1 24 ARG HA 1 27 PHE QB 2.905 . 4.010 2.578 2.043 3.372 . 0 0 "[ . 1 ]" 1
1209 1 26 ALA H 1 27 PHE QB 3.570 . 5.340 4.357 3.596 4.696 . 0 0 "[ . 1 ]" 1
1210 1 26 ALA MB 1 30 GLY QA 3.540 . 5.280 5.154 4.992 5.347 0.067 3 0 "[ . 1 ]" 1
1211 1 27 PHE H 1 27 PHE QB 2.315 . 2.830 2.032 1.972 2.134 . 0 0 "[ . 1 ]" 1
1212 1 27 PHE QB 1 28 LEU H 3.060 . 4.320 2.974 2.769 3.174 . 0 0 "[ . 1 ]" 1
1213 1 27 PHE QE 1 90 LEU QD 3.620 . 5.440 3.741 3.344 4.229 . 0 0 "[ . 1 ]" 1
1214 1 28 LEU MD2 1 90 LEU QD 3.620 . 5.440 4.209 3.829 4.590 . 0 0 "[ . 1 ]" 1
1215 1 31 LEU HA 1 90 LEU QD 3.620 . 5.440 4.007 3.810 4.140 . 0 0 "[ . 1 ]" 1
1216 1 31 LEU QB 1 90 LEU QD 2.620 . 3.440 1.939 1.794 2.083 0.006 5 0 "[ . 1 ]" 1
1217 1 31 LEU QD 1 90 LEU QD 2.570 . 3.340 2.498 2.407 2.646 . 0 0 "[ . 1 ]" 1
1218 1 32 ALA H 1 90 LEU QD 2.545 . 3.290 2.712 2.578 2.946 . 0 0 "[ . 1 ]" 1
1219 1 32 ALA HA 1 90 LEU QD 2.180 . 2.560 1.924 1.780 2.201 0.020 5 0 "[ . 1 ]" 1
1220 1 32 ALA MB 1 90 LEU QD 2.195 . 2.590 1.932 1.809 2.055 . 0 0 "[ . 1 ]" 1
1221 1 34 SER H 1 90 LEU QD 3.620 . 5.440 4.954 4.680 5.075 . 0 0 "[ . 1 ]" 1
1222 1 35 LYS H 1 36 GLY QA 3.435 . 5.070 4.427 4.283 4.594 . 0 0 "[ . 1 ]" 1
1223 1 35 LYS H 1 90 LEU QD 3.620 . 5.440 4.109 3.904 4.415 . 0 0 "[ . 1 ]" 1
1224 1 35 LYS HA 1 90 LEU QD 3.620 . 5.440 4.775 4.452 4.963 . 0 0 "[ . 1 ]" 1
1225 1 35 LYS QB 1 90 LEU QD 3.620 . 5.440 2.680 2.280 3.145 . 0 0 "[ . 1 ]" 1
1226 1 35 LYS QG 1 90 LEU QD 2.395 . 2.990 1.943 1.758 2.263 0.042 11 0 "[ . 1 ]" 1
1227 1 35 LYS QD 1 90 LEU QD 3.620 . 5.440 3.667 3.503 3.944 . 0 0 "[ . 1 ]" 1
1228 1 35 LYS QD 1 93 GLY QA 3.570 . 5.340 2.584 1.961 3.813 . 0 0 "[ . 1 ]" 1
1229 1 35 LYS QE 1 90 LEU QB 3.570 . 5.340 2.866 2.466 3.450 . 0 0 "[ . 1 ]" 1
1230 1 35 LYS QE 1 90 LEU QD 3.260 . 4.720 3.129 2.527 3.492 . 0 0 "[ . 1 ]" 1
1231 1 36 GLY QA 1 37 PHE H 2.455 . 3.110 2.702 2.523 2.804 . 0 0 "[ . 1 ]" 1
1232 1 36 GLY QA 1 37 PHE QD 3.570 . 5.340 4.152 4.003 4.330 . 0 0 "[ . 1 ]" 1
1233 1 37 PHE QD 1 90 LEU QD 3.140 . 4.480 2.711 2.379 3.094 . 0 0 "[ . 1 ]" 1
1234 1 37 PHE QE 1 90 LEU QD 3.070 . 4.340 1.969 1.787 2.706 0.013 4 0 "[ . 1 ]" 1
1235 1 37 PHE HZ 1 90 LEU QD 3.620 . 5.440 3.526 3.155 4.364 . 0 0 "[ . 1 ]" 1
1236 1 40 LEU H 1 40 LEU QB 2.495 . 3.190 2.218 2.114 2.352 . 0 0 "[ . 1 ]" 1
1237 1 40 LEU QB 1 47 ALA MB 2.750 . 3.700 2.413 1.775 3.086 0.025 10 0 "[ . 1 ]" 1
1238 1 40 LEU QD 1 46 GLU QB 3.460 . 5.120 2.338 2.082 2.564 . 0 0 "[ . 1 ]" 1
1239 1 40 LEU QD 1 46 GLU QG 2.660 . 3.520 3.333 2.690 3.555 0.035 9 0 "[ . 1 ]" 1
1240 1 41 ASP QB 1 42 ALA H 3.140 . 4.480 3.016 2.007 4.037 . 0 0 "[ . 1 ]" 1
1241 1 45 SER HA 1 45 SER QB 2.165 . 2.530 2.310 2.168 2.455 . 0 0 "[ . 1 ]" 1
1242 1 45 SER QB 1 75 CYS QB 3.570 . 5.340 3.331 2.221 4.849 . 0 0 "[ . 1 ]" 1
1243 1 45 SER QB 1 78 PRO QG 3.570 . 5.340 5.078 4.539 5.453 0.113 1 0 "[ . 1 ]" 1
1244 1 45 SER QB 1 78 PRO QD 3.570 . 5.340 4.038 3.293 4.656 . 0 0 "[ . 1 ]" 1
1245 1 46 GLU H 1 46 GLU QG 3.035 . 4.270 3.964 3.949 3.998 . 0 0 "[ . 1 ]" 1
1246 1 46 GLU QB 1 46 GLU QG 2.010 . 2.220 2.085 2.081 2.088 . 0 0 "[ . 1 ]" 1
1247 1 46 GLU QG 1 47 ALA H 3.570 . 5.340 4.150 3.833 4.394 . 0 0 "[ . 1 ]" 1
1248 1 47 ALA MB 1 50 VAL QG 3.620 . 5.440 3.339 2.828 3.907 . 0 0 "[ . 1 ]" 1
1249 1 49 HIS H 1 49 HIS QB 2.730 . 3.660 2.897 2.592 3.302 . 0 0 "[ . 1 ]" 1
1250 1 49 HIS H 1 50 VAL QG 3.415 . 5.030 3.640 2.593 4.247 . 0 0 "[ . 1 ]" 1
1251 1 49 HIS HA 1 50 VAL QG 2.930 . 4.060 3.913 3.729 4.066 0.006 9 0 "[ . 1 ]" 1
1252 1 49 HIS QB 1 50 VAL H 3.055 . 4.310 3.589 2.902 3.914 . 0 0 "[ . 1 ]" 1
1253 1 49 HIS QB 1 51 VAL QG 2.965 . 4.130 2.862 2.469 3.617 . 0 0 "[ . 1 ]" 1
1254 1 49 HIS QB 1 79 ALA MB 3.570 . 5.340 3.871 3.388 4.112 . 0 0 "[ . 1 ]" 1
1255 1 49 HIS QB 1 81 LEU QD 3.540 . 5.280 2.796 1.782 3.878 0.018 4 0 "[ . 1 ]" 1
1256 1 50 VAL H 1 50 VAL QG 2.295 . 2.790 2.526 2.328 2.840 0.050 3 0 "[ . 1 ]" 1
1257 1 50 VAL H 1 81 LEU QD 3.620 . 5.440 2.944 2.254 3.500 . 0 0 "[ . 1 ]" 1
1258 1 50 VAL HA 1 50 VAL QG 2.305 . 2.810 2.126 2.116 2.137 . 0 0 "[ . 1 ]" 1
1259 1 50 VAL HB 1 67 ARG QD 3.540 . 5.280 4.977 4.286 5.308 0.028 5 0 "[ . 1 ]" 1
1260 1 50 VAL HB 1 81 LEU QD 3.620 . 5.440 4.029 3.761 4.266 . 0 0 "[ . 1 ]" 1
1261 1 50 VAL QG 1 51 VAL H 2.890 . 3.980 2.740 2.414 3.140 . 0 0 "[ . 1 ]" 1
1262 1 50 VAL QG 1 51 VAL HB 3.620 . 5.440 5.107 4.721 5.386 . 0 0 "[ . 1 ]" 1
1263 1 50 VAL QG 1 51 VAL QG 2.980 . 4.160 3.629 3.465 3.784 . 0 0 "[ . 1 ]" 1
1264 1 50 VAL QG 1 60 ALA MB 2.840 . 3.880 3.628 3.132 3.919 0.039 8 0 "[ . 1 ]" 1
1265 1 50 VAL QG 1 63 TRP HZ2 3.335 . 4.870 3.044 2.835 3.436 . 0 0 "[ . 1 ]" 1
1266 1 50 VAL QG 1 68 MET ME 3.620 . 5.440 5.408 4.926 5.537 0.097 8 0 "[ . 1 ]" 1
1267 1 50 VAL QG 1 78 PRO HA 3.305 . 4.810 4.805 4.485 4.875 0.065 4 0 "[ . 1 ]" 1
1268 1 50 VAL QG 1 78 PRO QB 2.850 . 3.900 2.542 2.175 2.988 . 0 0 "[ . 1 ]" 1
1269 1 50 VAL QG 1 78 PRO QG 2.310 . 2.820 2.210 1.776 2.566 0.024 3 0 "[ . 1 ]" 1
1270 1 50 VAL QG 1 78 PRO QD 3.385 . 4.970 3.764 3.228 4.153 . 0 0 "[ . 1 ]" 1
1271 1 50 VAL QG 1 80 LEU QD 2.340 . 2.880 2.367 1.800 2.814 0.000 3 0 "[ . 1 ]" 1
1272 1 53 GLU HA 1 82 ASP QB 3.570 . 5.340 4.921 3.649 6.169 0.829 1 1 "[+ . 1 ]" 1
1273 1 55 THR MG 1 56 SER QB 3.570 . 5.340 4.127 3.961 4.324 . 0 0 "[ . 1 ]" 1
1274 1 56 SER H 1 56 SER QB 2.330 . 2.860 2.428 2.211 2.550 . 0 0 "[ . 1 ]" 1
1275 1 56 SER QB 1 57 ALA MB 3.570 . 5.340 3.774 3.475 4.407 . 0 0 "[ . 1 ]" 1
1276 1 56 SER QB 1 58 GLU H 2.755 . 3.710 3.384 3.041 3.659 . 0 0 "[ . 1 ]" 1
1277 1 56 SER QB 1 59 GLU H 3.570 . 5.340 3.062 2.649 3.512 . 0 0 "[ . 1 ]" 1
1278 1 57 ALA H 1 104 LEU QD 3.620 . 5.440 2.945 2.232 3.320 . 0 0 "[ . 1 ]" 1
1279 1 57 ALA HA 1 104 LEU QD 2.655 . 3.510 3.065 2.306 3.486 . 0 0 "[ . 1 ]" 1
1280 1 57 ALA HA 1 105 GLU QB 3.400 . 5.000 4.262 3.574 4.716 . 0 0 "[ . 1 ]" 1
1281 1 57 ALA MB 1 104 LEU QD 3.620 . 5.440 2.808 2.243 3.164 . 0 0 "[ . 1 ]" 1
1282 1 57 ALA MB 1 105 GLU QB 3.570 . 5.340 3.988 3.581 4.691 . 0 0 "[ . 1 ]" 1
1283 1 58 GLU QB 1 59 GLU H 2.855 . 3.910 3.143 1.893 3.650 . 0 0 "[ . 1 ]" 1
1284 1 58 GLU QB 1 59 GLU QG 3.570 . 5.340 4.475 3.572 4.913 . 0 0 "[ . 1 ]" 1
1285 1 58 GLU QB 1 61 VAL HB 2.955 . 4.110 3.625 3.325 4.123 0.013 5 0 "[ . 1 ]" 1
1286 1 60 ALA MB 1 80 LEU QB 3.355 . 4.910 4.307 4.155 4.538 . 0 0 "[ . 1 ]" 1
1287 1 61 VAL HB 1 105 GLU QB 3.485 . 5.170 5.073 4.480 5.373 0.203 1 0 "[ . 1 ]" 1
1288 1 61 VAL MG1 1 64 GLN QG 3.570 . 5.340 4.683 3.925 5.373 0.033 10 0 "[ . 1 ]" 1
1289 1 61 VAL MG1 1 105 GLU QB 3.205 . 4.610 4.329 3.891 4.652 0.042 11 0 "[ . 1 ]" 1
1290 1 61 VAL MG2 1 105 GLU QB 3.570 . 5.340 2.421 1.994 2.600 . 0 0 "[ . 1 ]" 1
1291 1 64 GLN H 1 64 GLN QG 3.415 . 5.030 3.964 3.906 3.991 . 0 0 "[ . 1 ]" 1
1292 1 64 GLN QG 1 65 GLU QG 3.570 . 5.340 4.124 3.379 4.952 . 0 0 "[ . 1 ]" 1
1293 1 64 GLN QG 1 68 MET QB 3.570 . 5.340 4.126 3.705 4.373 . 0 0 "[ . 1 ]" 1
1294 1 64 GLN QG 1 68 MET ME 3.570 . 5.340 4.097 3.577 4.588 . 0 0 "[ . 1 ]" 1
1295 1 66 ARG H 1 67 ARG QB 3.570 . 5.340 4.398 4.048 5.046 . 0 0 "[ . 1 ]" 1
1296 1 72 PRO QB 1 75 CYS H 3.570 . 5.340 3.889 3.053 5.352 0.012 2 0 "[ . 1 ]" 1
1297 1 72 PRO QD 1 75 CYS QB 3.200 . 4.600 3.222 2.581 3.922 . 0 0 "[ . 1 ]" 1
1298 1 74 GLY QA 1 75 CYS QB 3.570 . 5.340 4.545 4.259 4.700 . 0 0 "[ . 1 ]" 1
1299 1 79 ALA MB 1 81 LEU QB 3.145 . 4.490 4.200 3.856 4.576 0.086 6 0 "[ . 1 ]" 1
1300 1 79 ALA MB 1 81 LEU QD 2.270 . 2.740 2.059 1.793 2.591 0.007 5 0 "[ . 1 ]" 1
1301 1 79 ALA MB 1 98 VAL QG 2.755 . 3.710 3.143 2.491 3.560 . 0 0 "[ . 1 ]" 1
1302 1 80 LEU HA 1 105 GLU QB 3.570 . 5.340 4.688 4.341 5.405 0.065 7 0 "[ . 1 ]" 1
1303 1 80 LEU QB 1 105 GLU QB 3.290 . 4.780 2.415 1.792 3.065 0.008 6 0 "[ . 1 ]" 1
1304 1 80 LEU HG 1 81 LEU QD 3.620 . 5.440 5.089 4.536 5.281 . 0 0 "[ . 1 ]" 1
1305 1 80 LEU HG 1 105 GLU QB 3.100 . 4.400 2.758 2.038 3.495 . 0 0 "[ . 1 ]" 1
1306 1 80 LEU HG 1 105 GLU QG 3.160 . 4.520 4.111 2.727 4.564 0.044 4 0 "[ . 1 ]" 1
1307 1 80 LEU QD 1 105 GLU QB 2.495 . 3.190 1.935 1.737 2.276 0.063 4 0 "[ . 1 ]" 1
1308 1 80 LEU QD 1 105 GLU QG 2.935 . 4.070 3.229 2.502 3.656 . 0 0 "[ . 1 ]" 1
1309 1 81 LEU H 1 81 LEU QD 3.205 . 4.610 2.993 2.097 3.831 . 0 0 "[ . 1 ]" 1
1310 1 81 LEU HA 1 81 LEU QD 2.875 . 3.950 3.303 2.616 3.450 . 0 0 "[ . 1 ]" 1
1311 1 81 LEU QB 1 81 LEU QD 2.225 . 2.650 1.897 1.829 2.054 . 0 0 "[ . 1 ]" 1
1312 1 81 LEU QB 1 82 ASP H 2.585 . 3.370 1.914 1.674 2.731 0.126 9 0 "[ . 1 ]" 1
1313 1 81 LEU QB 1 98 VAL QG 3.490 . 5.180 2.996 2.412 3.785 . 0 0 "[ . 1 ]" 1
1314 1 81 LEU QB 1 103 ARG QB 3.490 . 5.180 3.749 3.245 4.580 . 0 0 "[ . 1 ]" 1
1315 1 81 LEU QB 1 104 LEU H 2.945 . 4.090 3.952 3.139 4.339 0.249 6 0 "[ . 1 ]" 1
1316 1 81 LEU QB 1 105 GLU H 3.570 . 5.340 4.930 4.236 5.480 0.140 4 0 "[ . 1 ]" 1
1317 1 81 LEU QD 1 82 ASP H 3.220 . 4.640 3.223 2.857 4.051 . 0 0 "[ . 1 ]" 1
1318 1 81 LEU QD 1 82 ASP QB 3.540 . 5.280 4.579 4.233 5.154 . 0 0 "[ . 1 ]" 1
1319 1 81 LEU QD 1 98 VAL HB 3.620 . 5.440 3.198 2.412 4.024 . 0 0 "[ . 1 ]" 1
1320 1 81 LEU QD 1 98 VAL QG 2.320 . 2.840 1.795 1.709 2.033 0.091 1 0 "[ . 1 ]" 1
1321 1 81 LEU QD 1 102 HIS QB 3.185 . 4.570 3.438 3.129 3.782 . 0 0 "[ . 1 ]" 1
1322 1 81 LEU QD 1 103 ARG H 3.620 . 5.440 4.464 3.526 4.993 . 0 0 "[ . 1 ]" 1
1323 1 81 LEU QD 1 103 ARG HA 2.740 . 3.680 2.865 1.756 3.518 0.044 6 0 "[ . 1 ]" 1
1324 1 81 LEU QD 1 103 ARG QB 3.190 . 4.580 3.379 2.476 4.078 . 0 0 "[ . 1 ]" 1
1325 1 81 LEU QD 1 103 ARG QG 2.770 . 3.740 2.696 2.126 3.797 0.057 8 0 "[ . 1 ]" 1
1326 1 81 LEU QD 1 103 ARG QD 3.620 . 5.440 3.445 1.933 4.571 . 0 0 "[ . 1 ]" 1
1327 1 81 LEU QD 1 103 ARG HE 3.620 . 5.440 4.862 3.901 5.559 0.119 9 0 "[ . 1 ]" 1
1328 1 81 LEU QD 1 104 LEU H 3.620 . 5.440 4.926 4.049 5.382 . 0 0 "[ . 1 ]" 1
1329 1 82 ASP H 1 102 HIS QB 3.550 . 5.300 3.767 2.943 5.037 . 0 0 "[ . 1 ]" 1
1330 1 82 ASP H 1 104 LEU QD 2.985 . 4.170 3.187 2.362 4.022 . 0 0 "[ . 1 ]" 1
1331 1 82 ASP HA 1 104 LEU QD 3.215 . 4.630 3.810 3.252 4.564 . 0 0 "[ . 1 ]" 1
1332 1 82 ASP QB 1 102 HIS HA 3.570 . 5.340 4.128 3.133 5.329 . 0 0 "[ . 1 ]" 1
1333 1 82 ASP QB 1 104 LEU QD 2.565 . 3.330 2.162 1.776 2.649 0.024 7 0 "[ . 1 ]" 1
1334 1 83 ILE H 1 104 LEU QD 3.620 . 5.440 5.164 4.788 5.497 0.057 4 0 "[ . 1 ]" 1
1335 1 83 ILE MG 1 84 SER QB 3.180 . 4.560 3.703 3.467 4.123 . 0 0 "[ . 1 ]" 1
1336 1 84 SER HA 1 84 SER QB 2.170 . 2.540 2.283 2.169 2.379 . 0 0 "[ . 1 ]" 1
1337 1 84 SER QB 1 87 THR MG 3.570 . 5.340 5.004 4.501 5.378 0.038 11 0 "[ . 1 ]" 1
1338 1 85 TRP H 1 98 VAL QG 3.620 . 5.440 5.124 4.694 5.623 0.183 1 0 "[ . 1 ]" 1
1339 1 85 TRP QB 1 98 VAL QG 3.380 . 4.960 2.938 2.662 3.335 . 0 0 "[ . 1 ]" 1
1340 1 85 TRP HD1 1 98 VAL QG 3.215 . 4.630 2.941 2.025 3.385 . 0 0 "[ . 1 ]" 1
1341 1 85 TRP HE1 1 98 VAL QG 3.050 . 4.300 3.782 2.483 4.341 0.041 11 0 "[ . 1 ]" 1
1342 1 86 LEU HA 1 90 LEU QD 3.620 . 5.440 4.030 3.434 4.389 . 0 0 "[ . 1 ]" 1
1343 1 86 LEU HG 1 90 LEU QD 2.590 . 3.380 2.508 1.882 2.815 . 0 0 "[ . 1 ]" 1
1344 1 86 LEU QD 1 90 LEU QD 2.735 . 3.670 2.268 2.020 2.708 . 0 0 "[ . 1 ]" 1
1345 1 87 THR HA 1 90 LEU QD 2.880 . 3.960 2.819 2.459 3.247 . 0 0 "[ . 1 ]" 1
1346 1 87 THR MG 1 90 LEU QD 3.200 . 4.600 3.399 2.896 3.940 . 0 0 "[ . 1 ]" 1
1347 1 88 GLU H 1 90 LEU QD 3.620 . 5.440 5.291 4.847 5.483 0.043 7 0 "[ . 1 ]" 1
1348 1 88 GLU QB 1 89 SER H 2.585 . 3.370 2.468 2.036 2.895 . 0 0 "[ . 1 ]" 1
1349 1 88 GLU QB 1 89 SER QB 3.460 . 5.120 4.356 3.935 4.648 . 0 0 "[ . 1 ]" 1
1350 1 88 GLU QB 1 96 VAL MG2 2.575 . 3.350 2.814 2.073 3.340 . 0 0 "[ . 1 ]" 1
1351 1 89 SER HA 1 90 LEU QD 3.620 . 5.440 4.917 4.802 5.032 . 0 0 "[ . 1 ]" 1
1352 1 89 SER QB 1 90 LEU QD 3.620 . 5.440 3.462 3.127 3.954 . 0 0 "[ . 1 ]" 1
1353 1 89 SER QB 1 94 GLN QG 3.570 . 5.340 4.856 4.429 5.197 . 0 0 "[ . 1 ]" 1
1354 1 90 LEU H 1 90 LEU QD 3.155 . 4.510 2.741 2.422 3.051 . 0 0 "[ . 1 ]" 1
1355 1 90 LEU HA 1 90 LEU QD 2.225 . 2.650 1.973 1.812 2.662 0.012 10 0 "[ . 1 ]" 1
1356 1 90 LEU QB 1 90 LEU QD 2.345 . 2.680 1.953 1.887 1.969 . 0 0 "[ . 1 ]" 1
1357 1 92 ALA H 1 93 GLY QA 3.570 . 5.340 4.382 4.028 4.556 . 0 0 "[ . 1 ]" 1
1358 1 92 ALA MB 1 94 GLN QE 3.570 . 5.340 4.251 3.184 4.904 . 0 0 "[ . 1 ]" 1
1359 1 93 GLY QA 1 94 GLN QG 3.315 . 4.830 3.920 3.577 4.189 . 0 0 "[ . 1 ]" 1
1360 1 94 GLN HA 1 94 GLN QE 3.570 . 5.340 4.785 4.128 5.462 0.122 11 0 "[ . 1 ]" 1
1361 1 94 GLN QB 1 94 GLN QE 3.010 . 4.220 2.597 1.738 3.434 0.062 9 0 "[ . 1 ]" 1
1362 1 94 GLN QB 1 95 PRO QD 2.590 . 3.380 2.132 1.815 2.415 . 0 0 "[ . 1 ]" 1
1363 1 94 GLN QE 1 94 GLN QG 2.505 . 3.210 2.262 2.095 2.672 . 0 0 "[ . 1 ]" 1
1364 1 94 GLN QG 1 96 VAL MG1 3.280 . 4.760 2.950 2.392 3.490 . 0 0 "[ . 1 ]" 1
1365 1 94 GLN QE 1 95 PRO QD 3.570 . 5.340 4.066 3.319 5.217 . 0 0 "[ . 1 ]" 1
1366 1 94 GLN QE 1 96 VAL H 3.570 . 5.340 5.221 4.871 5.395 0.055 2 0 "[ . 1 ]" 1
1367 1 94 GLN QE 1 96 VAL MG1 3.570 . 5.340 3.882 3.173 4.579 . 0 0 "[ . 1 ]" 1
1368 1 97 PRO HA 1 98 VAL QG 3.125 . 4.450 3.604 3.500 3.762 . 0 0 "[ . 1 ]" 1
1369 1 97 PRO QB 1 98 VAL H 2.915 . 4.030 3.465 3.255 3.609 . 0 0 "[ . 1 ]" 1
1370 1 98 VAL H 1 98 VAL QG 2.360 . 2.920 1.938 1.874 2.080 . 0 0 "[ . 1 ]" 1
1371 1 98 VAL QG 1 99 GLU H 2.685 . 3.570 2.933 2.552 3.423 . 0 0 "[ . 1 ]" 1
1372 1 98 VAL QG 1 101 ARG H 3.620 . 5.440 4.972 4.656 5.451 0.011 7 0 "[ . 1 ]" 1
1373 1 98 VAL QG 1 102 HIS H 2.845 . 3.890 3.641 3.238 3.924 0.034 6 0 "[ . 1 ]" 1
1374 1 98 VAL QG 1 102 HIS HA 3.395 . 4.990 4.469 4.092 5.013 0.023 6 0 "[ . 1 ]" 1
1375 1 98 VAL QG 1 102 HIS QB 2.790 . 3.780 2.182 1.857 2.824 . 0 0 "[ . 1 ]" 1
1376 1 98 VAL QG 1 103 ARG H 3.620 . 5.440 3.280 2.658 4.129 . 0 0 "[ . 1 ]" 1
1377 1 98 VAL QG 1 103 ARG HA 3.140 . 4.480 3.303 2.562 3.891 . 0 0 "[ . 1 ]" 1
1378 1 98 VAL QG 1 103 ARG QB 2.835 . 3.870 2.404 2.084 2.967 . 0 0 "[ . 1 ]" 1
1379 1 98 VAL QG 1 103 ARG QD 2.915 . 4.030 3.063 1.842 3.717 . 0 0 "[ . 1 ]" 1
1380 1 98 VAL QG 1 103 ARG HE 3.620 . 5.440 4.214 2.200 5.363 . 0 0 "[ . 1 ]" 1
1381 1 100 CYS HA 1 100 CYS QB 2.165 . 2.530 2.306 2.172 2.369 . 0 0 "[ . 1 ]" 1
1382 1 100 CYS HA 1 103 ARG QB 2.870 . 3.940 2.185 1.747 2.764 0.053 6 0 "[ . 1 ]" 1
1383 1 101 ARG H 1 101 ARG QG 3.570 . 5.340 3.212 2.023 4.042 . 0 0 "[ . 1 ]" 1
1384 1 101 ARG QG 1 102 HIS H 3.410 . 5.020 3.997 2.702 4.680 . 0 0 "[ . 1 ]" 1
1385 1 102 HIS QB 1 103 ARG H 2.940 . 4.080 3.081 2.785 3.458 . 0 0 "[ . 1 ]" 1
1386 1 102 HIS QB 1 103 ARG QB 3.490 . 5.180 3.951 3.681 4.305 . 0 0 "[ . 1 ]" 1
1387 1 103 ARG QB 1 104 LEU QB 3.570 . 5.340 5.045 4.534 5.261 . 0 0 "[ . 1 ]" 1
1388 1 103 ARG QB 1 104 LEU QD 3.540 . 5.280 4.731 4.131 5.383 0.103 7 0 "[ . 1 ]" 1
1389 1 104 LEU H 1 104 LEU QD 2.940 . 4.080 2.267 1.632 3.844 0.168 1 0 "[ . 1 ]" 1
1390 1 104 LEU HA 1 105 GLU QB 3.570 . 5.340 5.216 4.774 5.445 0.105 7 0 "[ . 1 ]" 1
1391 1 104 LEU QD 1 105 GLU H 3.315 . 4.830 3.142 2.155 4.259 . 0 0 "[ . 1 ]" 1
1392 1 104 LEU QD 1 105 GLU QB 3.540 . 5.280 4.162 3.275 4.836 . 0 0 "[ . 1 ]" 1
1393 1 105 GLU H 1 105 GLU QB 2.430 . 3.060 2.588 2.027 3.148 0.088 8 0 "[ . 1 ]" 1
1394 1 105 GLU H 1 105 GLU QG 2.725 . 3.650 2.402 1.782 3.831 0.181 2 0 "[ . 1 ]" 1
1395 1 105 GLU QB 1 105 GLU QG 2.050 . 2.300 2.043 1.994 2.085 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 23.281
_Distance_constraint_stats_list.Viol_max 0.236
_Distance_constraint_stats_list.Viol_rms 0.0221
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0661
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 23 SER 0.365 0.118 11 0 "[ . 1 ]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 26 ALA 0.002 0.002 11 0 "[ . 1 ]"
1 27 PHE 0.902 0.222 1 0 "[ . 1 ]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 29 THR 0.000 0.000 . 0 "[ . 1 ]"
1 30 GLY 0.570 0.127 1 0 "[ . 1 ]"
1 31 LEU 0.537 0.222 1 0 "[ . 1 ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 34 SER 0.568 0.127 1 0 "[ . 1 ]"
1 57 ALA 0.049 0.049 11 0 "[ . 1 ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 59 GLU 0.354 0.236 1 0 "[ . 1 ]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 61 VAL 0.049 0.049 11 0 "[ . 1 ]"
1 62 SER 0.021 0.021 6 0 "[ . 1 ]"
1 63 TRP 0.354 0.236 1 0 "[ . 1 ]"
1 64 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 66 ARG 0.021 0.021 6 0 "[ . 1 ]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 68 MET 0.000 0.000 . 0 "[ . 1 ]"
1 85 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 87 THR 0.199 0.090 4 0 "[ . 1 ]"
1 88 GLU 0.021 0.021 2 0 "[ . 1 ]"
1 89 SER 0.000 0.000 . 0 "[ . 1 ]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 91 GLY 0.199 0.090 4 0 "[ . 1 ]"
1 92 ALA 0.021 0.021 2 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ARG O 1 26 ALA H 2.000 . 2.500 1.876 1.636 2.484 . 0 0 "[ . 1 ]" 2
2 1 22 ARG O 1 26 ALA N 3.000 2.300 3.500 2.777 2.597 3.056 . 0 0 "[ . 1 ]" 2
3 1 23 SER O 1 27 PHE H 2.000 . 2.500 2.421 2.135 2.618 0.118 11 0 "[ . 1 ]" 2
4 1 23 SER O 1 27 PHE N 3.000 2.300 3.500 3.284 3.078 3.512 0.012 6 0 "[ . 1 ]" 2
5 1 24 ARG O 1 28 LEU H 2.000 . 2.500 1.982 1.764 2.273 . 0 0 "[ . 1 ]" 2
6 1 24 ARG O 1 28 LEU N 3.000 2.300 3.500 2.930 2.744 3.241 . 0 0 "[ . 1 ]" 2
7 1 25 ARG O 1 29 THR H 2.000 . 2.500 2.010 1.695 2.405 . 0 0 "[ . 1 ]" 2
8 1 25 ARG O 1 29 THR N 3.000 2.300 3.500 2.780 2.633 3.270 . 0 0 "[ . 1 ]" 2
9 1 26 ALA O 1 30 GLY H 2.000 . 2.500 2.122 1.880 2.502 0.002 11 0 "[ . 1 ]" 2
10 1 26 ALA O 1 30 GLY N 3.000 2.300 3.500 3.079 2.828 3.483 . 0 0 "[ . 1 ]" 2
11 1 27 PHE O 1 31 LEU H 2.000 . 2.500 2.376 1.972 2.722 0.222 1 0 "[ . 1 ]" 2
12 1 27 PHE O 1 31 LEU N 3.000 2.300 3.500 3.237 2.876 3.556 0.056 1 0 "[ . 1 ]" 2
13 1 28 LEU O 1 32 ALA H 2.000 . 2.500 1.748 1.553 1.993 . 0 0 "[ . 1 ]" 2
14 1 28 LEU O 1 32 ALA N 3.000 2.300 3.500 2.689 2.530 2.899 . 0 0 "[ . 1 ]" 2
15 1 29 THR O 1 33 ARG H 2.000 . 2.500 2.186 1.911 2.407 . 0 0 "[ . 1 ]" 2
16 1 29 THR O 1 33 ARG N 3.000 2.300 3.500 3.120 2.874 3.354 . 0 0 "[ . 1 ]" 2
17 1 30 GLY O 1 34 SER H 2.000 . 2.500 2.468 2.009 2.627 0.127 1 0 "[ . 1 ]" 2
18 1 30 GLY O 1 34 SER N 3.000 2.300 3.500 3.335 2.911 3.511 0.011 3 0 "[ . 1 ]" 2
19 1 57 ALA O 1 61 VAL H 2.000 . 2.500 2.027 1.865 2.549 0.049 11 0 "[ . 1 ]" 2
20 1 57 ALA O 1 61 VAL N 3.000 2.300 3.500 2.862 2.702 3.330 . 0 0 "[ . 1 ]" 2
21 1 58 GLU O 1 62 SER H 2.000 . 2.500 1.913 1.774 2.073 . 0 0 "[ . 1 ]" 2
22 1 58 GLU O 1 62 SER N 3.000 2.300 3.500 2.857 2.701 3.050 . 0 0 "[ . 1 ]" 2
23 1 59 GLU O 1 63 TRP H 2.000 . 2.500 2.204 1.942 2.736 0.236 1 0 "[ . 1 ]" 2
24 1 59 GLU O 1 63 TRP N 3.000 2.300 3.500 3.155 2.879 3.594 0.094 1 0 "[ . 1 ]" 2
25 1 60 ALA O 1 64 GLN H 2.000 . 2.500 1.844 1.763 2.013 . 0 0 "[ . 1 ]" 2
26 1 60 ALA O 1 64 GLN N 3.000 2.300 3.500 2.743 2.654 2.844 . 0 0 "[ . 1 ]" 2
27 1 61 VAL O 1 65 GLU H 2.000 . 2.500 2.123 1.954 2.363 . 0 0 "[ . 1 ]" 2
28 1 61 VAL O 1 65 GLU N 3.000 2.300 3.500 3.013 2.884 3.146 . 0 0 "[ . 1 ]" 2
29 1 62 SER O 1 66 ARG H 2.000 . 2.500 2.128 1.861 2.521 0.021 6 0 "[ . 1 ]" 2
30 1 62 SER O 1 66 ARG N 3.000 2.300 3.500 3.014 2.817 3.325 . 0 0 "[ . 1 ]" 2
31 1 63 TRP O 1 67 ARG H 2.000 . 2.500 1.919 1.647 2.352 . 0 0 "[ . 1 ]" 2
32 1 63 TRP O 1 67 ARG N 3.000 2.300 3.500 2.822 2.614 3.076 . 0 0 "[ . 1 ]" 2
33 1 64 GLN O 1 68 MET H 2.000 . 2.500 1.901 1.734 2.198 . 0 0 "[ . 1 ]" 2
34 1 64 GLN O 1 68 MET N 3.000 2.300 3.500 2.848 2.656 3.120 . 0 0 "[ . 1 ]" 2
35 1 85 TRP O 1 89 SER H 2.000 . 2.500 2.120 1.933 2.405 . 0 0 "[ . 1 ]" 2
36 1 85 TRP O 1 89 SER N 3.000 2.300 3.500 3.006 2.764 3.296 . 0 0 "[ . 1 ]" 2
37 1 86 LEU O 1 90 LEU H 2.000 . 2.500 1.803 1.692 1.992 . 0 0 "[ . 1 ]" 2
38 1 86 LEU O 1 90 LEU N 3.000 2.300 3.500 2.743 2.645 2.803 . 0 0 "[ . 1 ]" 2
39 1 87 THR O 1 91 GLY H 2.000 . 2.500 2.219 1.932 2.590 0.090 4 0 "[ . 1 ]" 2
40 1 87 THR O 1 91 GLY N 3.000 2.300 3.500 3.030 2.875 3.137 . 0 0 "[ . 1 ]" 2
41 1 88 GLU O 1 92 ALA H 2.000 . 2.500 2.027 1.801 2.521 0.021 2 0 "[ . 1 ]" 2
42 1 88 GLU O 1 92 ALA N 3.000 2.300 3.500 2.925 2.783 3.120 . 0 0 "[ . 1 ]" 2
stop_
save_
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