NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419643 |
2ed7   |
11096 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ed7
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 1703
_Distance_constraint_stats_list.Viol_count 525
_Distance_constraint_stats_list.Viol_total 175.706
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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 9 PRO 0.076 0.033 4 0 "[ . 1 . 2]"
1 10 ALA 0.076 0.033 4 0 "[ . 1 . 2]"
1 11 ILE 0.111 0.057 2 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.017 0.017 2 0 "[ . 1 . 2]"
1 16 VAL 0.113 0.110 14 0 "[ . 1 . 2]"
1 17 LEU 0.152 0.053 14 0 "[ . 1 . 2]"
1 18 PRO 0.084 0.032 14 0 "[ . 1 . 2]"
1 19 SER 0.028 0.008 17 0 "[ . 1 . 2]"
1 20 ALA 0.015 0.007 11 0 "[ . 1 . 2]"
1 21 PRO 0.037 0.013 15 0 "[ . 1 . 2]"
1 22 ARG 0.383 0.064 19 0 "[ . 1 . 2]"
1 23 ASP 0.211 0.064 19 0 "[ . 1 . 2]"
1 24 VAL 0.142 0.033 19 0 "[ . 1 . 2]"
1 25 VAL 0.204 0.026 11 0 "[ . 1 . 2]"
1 26 PRO 0.148 0.024 7 0 "[ . 1 . 2]"
1 27 VAL 0.556 0.116 18 0 "[ . 1 . 2]"
1 28 LEU 0.481 0.126 19 0 "[ . 1 . 2]"
1 29 VAL 0.222 0.051 19 0 "[ . 1 . 2]"
1 30 SER 0.006 0.003 10 0 "[ . 1 . 2]"
1 31 SER 0.099 0.017 9 0 "[ . 1 . 2]"
1 32 ARG 0.185 0.065 15 0 "[ . 1 . 2]"
1 33 PHE 0.275 0.126 19 0 "[ . 1 . 2]"
1 34 VAL 0.030 0.012 18 0 "[ . 1 . 2]"
1 35 ARG 0.080 0.030 10 0 "[ . 1 . 2]"
1 36 LEU 0.025 0.011 10 0 "[ . 1 . 2]"
1 37 SER 0.654 0.116 18 0 "[ . 1 . 2]"
1 38 TRP 0.430 0.043 19 0 "[ . 1 . 2]"
1 39 ARG 0.148 0.021 3 0 "[ . 1 . 2]"
1 40 PRO 0.868 0.176 16 0 "[ . 1 . 2]"
1 41 PRO 0.024 0.008 17 0 "[ . 1 . 2]"
1 42 ALA 0.035 0.012 16 0 "[ . 1 . 2]"
1 43 GLU 0.027 0.010 15 0 "[ . 1 . 2]"
1 44 ALA 0.026 0.010 15 0 "[ . 1 . 2]"
1 45 LYS 0.071 0.032 3 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASN 0.004 0.004 6 0 "[ . 1 . 2]"
1 48 ILE 0.015 0.007 2 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.078 0.023 19 0 "[ . 1 . 2]"
1 51 PHE 0.093 0.018 15 0 "[ . 1 . 2]"
1 52 THR 0.011 0.003 17 0 "[ . 1 . 2]"
1 53 VAL 0.042 0.030 19 0 "[ . 1 . 2]"
1 54 PHE 0.050 0.030 19 0 "[ . 1 . 2]"
1 55 PHE 0.179 0.059 20 0 "[ . 1 . 2]"
1 56 SER 0.018 0.013 13 0 "[ . 1 . 2]"
1 57 ARG 0.931 0.131 18 0 "[ . 1 . 2]"
1 58 GLU 0.934 0.131 18 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.007 0.006 19 0 "[ . 1 . 2]"
1 63 GLU 1.077 0.125 13 0 "[ . 1 . 2]"
1 64 ARG 0.119 0.057 20 0 "[ . 1 . 2]"
1 65 ALA 0.073 0.035 20 0 "[ . 1 . 2]"
1 66 LEU 0.139 0.048 14 0 "[ . 1 . 2]"
1 67 ASN 0.110 0.025 5 0 "[ . 1 . 2]"
1 68 THR 0.091 0.025 5 0 "[ . 1 . 2]"
1 69 THR 0.062 0.033 16 0 "[ . 1 . 2]"
1 70 GLN 0.016 0.008 16 0 "[ . 1 . 2]"
1 71 PRO 0.014 0.008 16 0 "[ . 1 . 2]"
1 72 GLY 0.006 0.005 19 0 "[ . 1 . 2]"
1 73 SER 0.522 0.076 7 0 "[ . 1 . 2]"
1 74 LEU 1.363 0.176 16 0 "[ . 1 . 2]"
1 75 GLN 0.115 0.027 18 0 "[ . 1 . 2]"
1 76 LEU 0.202 0.043 19 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.043 0.010 20 0 "[ . 1 . 2]"
1 82 LYS 0.110 0.042 20 0 "[ . 1 . 2]"
1 83 PRO 0.015 0.006 20 0 "[ . 1 . 2]"
1 84 GLU 0.011 0.004 15 0 "[ . 1 . 2]"
1 85 ALA 0.041 0.009 20 0 "[ . 1 . 2]"
1 86 MET 0.025 0.006 3 0 "[ . 1 . 2]"
1 87 TYR 0.003 0.003 2 0 "[ . 1 . 2]"
1 88 THR 0.023 0.005 6 0 "[ . 1 . 2]"
1 89 PHE 0.028 0.006 5 0 "[ . 1 . 2]"
1 90 ARG 0.019 0.011 6 0 "[ . 1 . 2]"
1 91 VAL 0.005 0.003 16 0 "[ . 1 . 2]"
1 92 VAL 0.007 0.003 17 0 "[ . 1 . 2]"
1 93 ALA 0.023 0.011 19 0 "[ . 1 . 2]"
1 94 TYR 0.035 0.023 14 0 "[ . 1 . 2]"
1 95 ASN 0.059 0.032 14 0 "[ . 1 . 2]"
1 96 GLU 0.007 0.005 16 0 "[ . 1 . 2]"
1 97 TRP 0.131 0.110 14 0 "[ . 1 . 2]"
1 98 GLY 0.061 0.023 14 0 "[ . 1 . 2]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.020 0.007 14 0 "[ . 1 . 2]"
1 101 GLU 0.256 0.041 6 0 "[ . 1 . 2]"
1 102 SER 0.206 0.041 6 0 "[ . 1 . 2]"
1 103 SER 0.001 0.001 1 0 "[ . 1 . 2]"
1 104 GLN 0.020 0.005 19 0 "[ . 1 . 2]"
1 105 PRO 0.005 0.005 6 0 "[ . 1 . 2]"
1 106 ILE 0.039 0.009 7 0 "[ . 1 . 2]"
1 107 LYS 0.040 0.006 3 0 "[ . 1 . 2]"
1 108 VAL 0.026 0.007 15 0 "[ . 1 . 2]"
1 109 ALA 0.007 0.003 13 0 "[ . 1 . 2]"
1 110 THR 0.037 0.006 6 0 "[ . 1 . 2]"
1 111 GLN 0.209 0.034 9 0 "[ . 1 . 2]"
1 112 PRO 0.582 0.150 8 0 "[ . 1 . 2]"
1 113 GLU 0.644 0.150 8 0 "[ . 1 . 2]"
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 44 ALA H 1 44 ALA MB . . 3.540 2.198 2.029 2.469 . 0 0 "[ . 1 . 2]" 1
2 1 48 ILE MD 1 49 GLN H . . 5.100 4.935 4.443 5.097 . 0 0 "[ . 1 . 2]" 1
3 1 49 GLN H 1 95 ASN HA . . 4.120 2.883 2.455 3.380 . 0 0 "[ . 1 . 2]" 1
4 1 48 ILE HA 1 49 GLN H . . 3.350 2.200 2.141 2.289 . 0 0 "[ . 1 . 2]" 1
5 1 49 GLN H 1 49 GLN HG3 . . 4.600 3.875 3.509 4.163 . 0 0 "[ . 1 . 2]" 1
6 1 49 GLN H 1 49 GLN HB3 . . 4.000 3.609 3.568 3.673 . 0 0 "[ . 1 . 2]" 1
7 1 48 ILE MG 1 49 GLN H . . 3.970 2.285 1.888 2.923 . 0 0 "[ . 1 . 2]" 1
8 1 29 VAL H 1 30 SER H . . 4.670 4.276 3.944 4.450 . 0 0 "[ . 1 . 2]" 1
9 1 28 LEU H 1 29 VAL H . . 4.500 4.168 3.838 4.426 . 0 0 "[ . 1 . 2]" 1
10 1 28 LEU HA 1 29 VAL H . . 2.890 2.229 2.139 2.371 . 0 0 "[ . 1 . 2]" 1
11 1 29 VAL H 1 29 VAL HB . . 3.420 2.878 2.595 3.444 0.024 6 0 "[ . 1 . 2]" 1
12 1 28 LEU QB 1 29 VAL H . . 3.830 3.569 3.167 3.847 0.017 1 0 "[ . 1 . 2]" 1
13 1 29 VAL H 1 29 VAL MG1 . . 4.180 3.422 1.895 3.977 . 0 0 "[ . 1 . 2]" 1
14 1 28 LEU MD1 1 29 VAL H . . 3.550 2.868 2.166 3.601 0.051 19 0 "[ . 1 . 2]" 1
15 1 54 PHE H 1 54 PHE QD . . 3.730 2.248 1.901 2.858 . 0 0 "[ . 1 . 2]" 1
16 1 54 PHE H 1 91 VAL HA . . 4.230 4.100 3.725 4.232 0.002 11 0 "[ . 1 . 2]" 1
17 1 53 VAL HA 1 54 PHE H . . 3.260 2.152 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
18 1 54 PHE H 1 54 PHE HB2 . . 4.150 2.471 2.318 2.706 . 0 0 "[ . 1 . 2]" 1
19 1 54 PHE H 1 54 PHE HB3 . . 4.150 3.638 3.577 3.707 . 0 0 "[ . 1 . 2]" 1
20 1 53 VAL MG1 1 54 PHE H . . 3.660 2.892 2.408 3.210 . 0 0 "[ . 1 . 2]" 1
21 1 53 VAL MG2 1 54 PHE H . . 4.270 4.051 3.880 4.166 . 0 0 "[ . 1 . 2]" 1
22 1 52 THR MG 1 54 PHE H . . 4.750 3.929 3.324 4.509 . 0 0 "[ . 1 . 2]" 1
23 1 53 VAL HB 1 54 PHE H . . 4.570 4.359 4.218 4.459 . 0 0 "[ . 1 . 2]" 1
24 1 52 THR H 1 53 VAL H . . 4.700 4.497 4.191 4.589 . 0 0 "[ . 1 . 2]" 1
25 1 53 VAL H 1 67 ASN HA . . 3.930 3.497 3.215 3.855 . 0 0 "[ . 1 . 2]" 1
26 1 52 THR HB 1 53 VAL H . . 4.640 4.064 3.669 4.353 . 0 0 "[ . 1 . 2]" 1
27 1 53 VAL H 1 53 VAL HB . . 3.420 2.637 2.489 2.765 . 0 0 "[ . 1 . 2]" 1
28 1 53 VAL H 1 53 VAL MG2 . . 3.640 2.961 2.648 3.181 . 0 0 "[ . 1 . 2]" 1
29 1 52 THR MG 1 53 VAL H . . 3.550 2.473 1.943 3.272 . 0 0 "[ . 1 . 2]" 1
30 1 57 ARG H 1 58 GLU H . . 5.310 4.554 4.370 4.636 . 0 0 "[ . 1 . 2]" 1
31 1 58 GLU H 1 59 GLY H . . 5.500 4.374 4.075 4.645 . 0 0 "[ . 1 . 2]" 1
32 1 58 GLU H 1 87 TYR HA . . 3.980 3.489 2.970 3.860 . 0 0 "[ . 1 . 2]" 1
33 1 57 ARG HA 1 58 GLU H . . 3.110 2.240 2.144 2.346 . 0 0 "[ . 1 . 2]" 1
34 1 57 ARG QD 1 58 GLU H . . 4.480 3.981 2.068 4.498 0.018 6 0 "[ . 1 . 2]" 1
35 1 58 GLU H 1 58 GLU HB2 . . 3.680 2.452 2.173 3.476 . 0 0 "[ . 1 . 2]" 1
36 1 58 GLU H 1 58 GLU HB3 . . 3.680 2.934 2.165 3.548 . 0 0 "[ . 1 . 2]" 1
37 1 57 ARG QB 1 58 GLU H . . 4.060 3.545 3.309 3.786 . 0 0 "[ . 1 . 2]" 1
38 1 57 ARG HG3 1 58 GLU H . . 4.180 2.659 2.013 4.182 0.002 16 0 "[ . 1 . 2]" 1
39 1 58 GLU H 1 85 ALA MB . . 5.310 4.574 3.819 5.291 . 0 0 "[ . 1 . 2]" 1
40 1 57 ARG HG2 1 58 GLU H . . 4.180 3.087 2.002 4.178 . 0 0 "[ . 1 . 2]" 1
41 1 58 GLU H 1 58 GLU QG . . 4.020 3.442 2.009 4.037 0.017 11 0 "[ . 1 . 2]" 1
42 1 94 TYR QD 1 98 GLY H . . 5.500 5.408 5.233 5.502 0.002 19 0 "[ . 1 . 2]" 1
43 1 94 TYR HA 1 98 GLY H . . 4.910 4.691 4.436 4.933 0.023 14 0 "[ . 1 . 2]" 1
44 1 97 TRP QB 1 98 GLY H . . 3.480 2.107 1.930 2.289 . 0 0 "[ . 1 . 2]" 1
45 1 17 LEU HG 1 98 GLY H . . 5.500 5.374 5.025 5.515 0.015 14 0 "[ . 1 . 2]" 1
46 1 17 LEU MD1 1 98 GLY H . . 3.840 2.828 2.528 2.987 . 0 0 "[ . 1 . 2]" 1
47 1 74 LEU H 1 74 LEU MD2 . . 4.190 2.751 1.995 4.256 0.066 16 0 "[ . 1 . 2]" 1
48 1 52 THR H 1 92 VAL H . . 3.720 3.368 3.052 3.717 . 0 0 "[ . 1 . 2]" 1
49 1 91 VAL HA 1 92 VAL H . . 3.090 2.224 2.159 2.343 . 0 0 "[ . 1 . 2]" 1
50 1 53 VAL HA 1 92 VAL H . . 4.200 3.867 3.183 4.110 . 0 0 "[ . 1 . 2]" 1
51 1 52 THR HB 1 92 VAL H . . 4.710 3.905 3.544 4.408 . 0 0 "[ . 1 . 2]" 1
52 1 92 VAL H 1 92 VAL HB . . 3.630 2.885 2.747 3.022 . 0 0 "[ . 1 . 2]" 1
53 1 92 VAL H 1 92 VAL MG2 . . 3.790 2.930 2.755 3.070 . 0 0 "[ . 1 . 2]" 1
54 1 91 VAL MG2 1 92 VAL H . . 4.210 3.863 3.669 4.032 . 0 0 "[ . 1 . 2]" 1
55 1 91 VAL MG1 1 92 VAL H . . 3.480 2.107 1.883 2.455 . 0 0 "[ . 1 . 2]" 1
56 1 92 VAL H 1 92 VAL MG1 . . 4.340 3.939 3.874 3.998 . 0 0 "[ . 1 . 2]" 1
57 1 73 SER HB3 1 74 LEU H . . 4.330 3.719 3.089 4.313 . 0 0 "[ . 1 . 2]" 1
58 1 73 SER HA 1 74 LEU H . . 2.950 2.172 2.139 2.246 . 0 0 "[ . 1 . 2]" 1
59 1 74 LEU H 1 75 GLN QG . . 4.600 3.384 2.807 4.304 . 0 0 "[ . 1 . 2]" 1
60 1 74 LEU H 1 74 LEU HG . . 4.210 3.949 3.038 4.261 0.051 19 0 "[ . 1 . 2]" 1
61 1 42 ALA H 1 42 ALA MB . . 3.270 2.110 2.026 2.378 . 0 0 "[ . 1 . 2]" 1
62 1 99 PRO HB3 1 100 GLY H . . 4.410 4.186 3.746 4.363 . 0 0 "[ . 1 . 2]" 1
63 1 94 TYR HA 1 100 GLY H . . 4.250 3.863 3.417 4.121 . 0 0 "[ . 1 . 2]" 1
64 1 17 LEU HA 1 100 GLY H . . 5.490 5.383 5.068 5.495 0.005 13 0 "[ . 1 . 2]" 1
65 1 99 PRO HA 1 100 GLY H . . 3.130 2.183 2.156 2.233 . 0 0 "[ . 1 . 2]" 1
66 1 18 PRO HD3 1 100 GLY H . . 4.760 4.629 4.375 4.767 0.007 14 0 "[ . 1 . 2]" 1
67 1 18 PRO HD2 1 100 GLY H . . 4.220 3.185 2.934 3.322 . 0 0 "[ . 1 . 2]" 1
68 1 18 PRO HG3 1 100 GLY H . . 4.240 3.938 3.470 4.225 . 0 0 "[ . 1 . 2]" 1
69 1 99 PRO HB2 1 100 GLY H . . 4.410 3.790 3.133 4.030 . 0 0 "[ . 1 . 2]" 1
70 1 17 LEU HB3 1 100 GLY H . . 4.820 3.865 3.482 4.277 . 0 0 "[ . 1 . 2]" 1
71 1 93 ALA MB 1 100 GLY H . . 5.130 3.597 3.260 3.953 . 0 0 "[ . 1 . 2]" 1
72 1 92 VAL MG1 1 100 GLY H . . 3.560 3.403 2.849 3.562 0.002 18 0 "[ . 1 . 2]" 1
73 1 64 ARG H 1 65 ALA H . . 4.650 4.556 4.430 4.615 . 0 0 "[ . 1 . 2]" 1
74 1 63 GLU HG2 1 64 ARG H . . 4.570 3.777 2.816 4.569 . 0 0 "[ . 1 . 2]" 1
75 1 87 TYR H 1 108 VAL H . . 4.080 3.332 2.943 3.603 . 0 0 "[ . 1 . 2]" 1
76 1 107 LYS H 1 108 VAL H . . 4.570 4.218 3.970 4.404 . 0 0 "[ . 1 . 2]" 1
77 1 55 PHE H 1 64 ARG H . . 3.730 3.109 2.439 3.571 . 0 0 "[ . 1 . 2]" 1
78 1 63 GLU HA 1 64 ARG H . . 2.940 2.260 2.139 2.378 . 0 0 "[ . 1 . 2]" 1
79 1 56 SER QB 1 64 ARG H . . 4.020 3.400 2.499 3.983 . 0 0 "[ . 1 . 2]" 1
80 1 64 ARG H 1 64 ARG QD . . 4.580 4.330 3.985 4.578 . 0 0 "[ . 1 . 2]" 1
81 1 63 GLU HB3 1 64 ARG H . . 4.630 3.712 2.671 4.148 . 0 0 "[ . 1 . 2]" 1
82 1 64 ARG H 1 64 ARG QG . . 3.500 2.647 2.303 2.881 . 0 0 "[ . 1 . 2]" 1
83 1 108 VAL H 1 109 ALA H . . 4.560 4.359 4.242 4.435 . 0 0 "[ . 1 . 2]" 1
84 1 89 PHE QD 1 108 VAL H . . 4.480 3.190 2.676 3.598 . 0 0 "[ . 1 . 2]" 1
85 1 89 PHE QE 1 108 VAL H . . 4.440 3.646 2.723 4.214 . 0 0 "[ . 1 . 2]" 1
86 1 107 LYS HA 1 108 VAL H . . 2.940 2.151 2.141 2.179 . 0 0 "[ . 1 . 2]" 1
87 1 88 THR HA 1 108 VAL H . . 4.000 3.514 3.124 4.004 0.004 9 0 "[ . 1 . 2]" 1
88 1 108 VAL H 1 108 VAL HB . . 3.680 2.697 2.545 2.865 . 0 0 "[ . 1 . 2]" 1
89 1 107 LYS HB3 1 108 VAL H . . 3.890 3.619 3.270 3.843 . 0 0 "[ . 1 . 2]" 1
90 1 106 ILE HG13 1 108 VAL H . . 5.060 4.260 3.804 4.777 . 0 0 "[ . 1 . 2]" 1
91 1 108 VAL H 1 108 VAL MG2 . . 3.860 2.712 2.494 2.958 . 0 0 "[ . 1 . 2]" 1
92 1 9 PRO HA 1 10 ALA H . . 3.270 2.645 2.151 3.303 0.033 4 0 "[ . 1 . 2]" 1
93 1 10 ALA H 1 10 ALA MB . . 3.630 2.285 2.083 2.836 . 0 0 "[ . 1 . 2]" 1
94 1 25 VAL H 1 37 SER H . . 3.850 3.742 3.493 3.871 0.021 19 0 "[ . 1 . 2]" 1
95 1 25 VAL H 1 38 TRP HA . . 4.400 4.057 3.729 4.392 . 0 0 "[ . 1 . 2]" 1
96 1 24 VAL HA 1 25 VAL H . . 3.090 2.147 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
97 1 25 VAL H 1 26 PRO HD3 . . 4.890 4.848 4.749 4.914 0.024 7 0 "[ . 1 . 2]" 1
98 1 24 VAL HB 1 25 VAL H . . 4.810 4.216 4.070 4.360 . 0 0 "[ . 1 . 2]" 1
99 1 25 VAL H 1 25 VAL HB . . 4.090 3.745 3.661 3.815 . 0 0 "[ . 1 . 2]" 1
100 1 25 VAL H 1 25 VAL MG2 . . 3.330 1.986 1.877 2.151 . 0 0 "[ . 1 . 2]" 1
101 1 25 VAL H 1 38 TRP HB3 . . 5.100 4.369 3.966 5.112 0.012 14 0 "[ . 1 . 2]" 1
102 1 66 LEU H 1 67 ASN H . . 4.720 4.021 3.861 4.156 . 0 0 "[ . 1 . 2]" 1
103 1 55 PHE QE 1 66 LEU H . . 4.170 3.114 1.898 3.838 . 0 0 "[ . 1 . 2]" 1
104 1 53 VAL H 1 66 LEU H . . 3.690 2.978 2.594 3.310 . 0 0 "[ . 1 . 2]" 1
105 1 54 PHE QD 1 66 LEU H . . 5.500 4.970 4.527 5.429 . 0 0 "[ . 1 . 2]" 1
106 1 55 PHE QD 1 66 LEU H . . 5.500 4.322 3.684 4.979 . 0 0 "[ . 1 . 2]" 1
107 1 54 PHE HA 1 66 LEU H . . 4.160 3.753 3.459 4.124 . 0 0 "[ . 1 . 2]" 1
108 1 65 ALA HA 1 66 LEU H . . 3.010 2.184 2.142 2.296 . 0 0 "[ . 1 . 2]" 1
109 1 53 VAL HB 1 66 LEU H . . 4.520 4.103 2.732 4.522 0.002 7 0 "[ . 1 . 2]" 1
110 1 66 LEU H 1 66 LEU HB2 . . 3.770 3.273 2.975 3.524 . 0 0 "[ . 1 . 2]" 1
111 1 66 LEU H 1 66 LEU HB3 . . 3.680 2.753 2.543 3.087 . 0 0 "[ . 1 . 2]" 1
112 1 66 LEU H 1 66 LEU MD1 . . 5.410 4.472 4.324 4.660 . 0 0 "[ . 1 . 2]" 1
113 1 66 LEU H 1 66 LEU MD2 . . 5.410 4.459 3.890 4.711 . 0 0 "[ . 1 . 2]" 1
114 1 65 ALA MB 1 66 LEU H . . 3.410 3.037 2.697 3.300 . 0 0 "[ . 1 . 2]" 1
115 1 53 VAL MG2 1 66 LEU H . . 5.500 5.097 4.144 5.469 . 0 0 "[ . 1 . 2]" 1
116 1 66 LEU H 1 76 LEU MD2 . . 5.500 4.819 4.417 5.215 . 0 0 "[ . 1 . 2]" 1
117 1 52 THR MG 1 66 LEU H . . 3.470 3.054 2.607 3.472 0.002 20 0 "[ . 1 . 2]" 1
118 1 77 THR H 1 77 THR HB . . 3.250 2.602 2.489 2.702 . 0 0 "[ . 1 . 2]" 1
119 1 62 ARG HA 1 63 GLU H . . 3.230 2.374 2.147 2.608 . 0 0 "[ . 1 . 2]" 1
120 1 76 LEU HA 1 77 THR H . . 3.470 2.170 2.138 2.245 . 0 0 "[ . 1 . 2]" 1
121 1 62 ARG QG 1 63 GLU H . . 4.160 3.700 3.093 4.166 0.006 19 0 "[ . 1 . 2]" 1
122 1 76 LEU HG 1 77 THR H . . 4.330 3.253 2.429 3.941 . 0 0 "[ . 1 . 2]" 1
123 1 44 ALA MB 1 46 GLY H . . 3.960 3.046 2.594 3.271 . 0 0 "[ . 1 . 2]" 1
124 1 56 SER H 1 57 ARG H . . 4.880 4.404 4.328 4.494 . 0 0 "[ . 1 . 2]" 1
125 1 56 SER QB 1 57 ARG H . . 3.280 2.597 2.289 3.253 . 0 0 "[ . 1 . 2]" 1
126 1 57 ARG H 1 60 ASP HB2 . . 4.540 3.277 2.708 4.473 . 0 0 "[ . 1 . 2]" 1
127 1 57 ARG H 1 57 ARG QB . . 3.140 2.277 2.198 2.376 . 0 0 "[ . 1 . 2]" 1
128 1 57 ARG H 1 57 ARG HG2 . . 4.770 4.442 4.246 4.652 . 0 0 "[ . 1 . 2]" 1
129 1 48 ILE H 1 48 ILE MD . . 4.080 3.696 3.377 3.970 . 0 0 "[ . 1 . 2]" 1
130 1 62 ARG QB 1 63 GLU H . . 3.900 2.575 2.043 3.528 . 0 0 "[ . 1 . 2]" 1
131 1 57 ARG H 1 57 ARG QD . . 4.950 4.597 4.116 4.893 . 0 0 "[ . 1 . 2]" 1
132 1 57 ARG H 1 60 ASP HB3 . . 4.540 3.772 2.856 4.504 . 0 0 "[ . 1 . 2]" 1
133 1 47 ASN HB3 1 48 ILE H . . 4.300 3.825 3.010 4.290 . 0 0 "[ . 1 . 2]" 1
134 1 47 ASN H 1 48 ILE H . . 4.390 4.185 3.950 4.394 0.004 6 0 "[ . 1 . 2]" 1
135 1 47 ASN HB2 1 48 ILE H . . 4.300 4.084 3.007 4.294 . 0 0 "[ . 1 . 2]" 1
136 1 48 ILE H 1 48 ILE HB . . 3.270 2.455 2.351 2.544 . 0 0 "[ . 1 . 2]" 1
137 1 48 ILE H 1 48 ILE QG . . 3.460 2.512 2.132 2.909 . 0 0 "[ . 1 . 2]" 1
138 1 48 ILE H 1 48 ILE MG . . 4.070 3.758 3.701 3.801 . 0 0 "[ . 1 . 2]" 1
139 1 103 SER H 1 104 GLN H . . 4.660 4.587 4.516 4.642 . 0 0 "[ . 1 . 2]" 1
140 1 103 SER HG 1 104 GLN H . . 4.330 3.788 2.866 4.306 . 0 0 "[ . 1 . 2]" 1
141 1 103 SER HA 1 104 GLN H . . 3.170 2.444 2.283 2.553 . 0 0 "[ . 1 . 2]" 1
142 1 103 SER HB3 1 104 GLN H . . 3.860 3.626 2.159 3.860 0.000 2 0 "[ . 1 . 2]" 1
143 1 103 SER HB2 1 104 GLN H . . 3.860 2.544 2.210 3.567 . 0 0 "[ . 1 . 2]" 1
144 1 104 GLN H 1 104 GLN HB2 . . 3.670 2.401 2.222 2.571 . 0 0 "[ . 1 . 2]" 1
145 1 104 GLN H 1 104 GLN HB3 . . 3.670 2.827 2.534 3.580 . 0 0 "[ . 1 . 2]" 1
146 1 20 ALA MB 1 104 GLN H . . 4.710 4.510 4.186 4.713 0.003 7 0 "[ . 1 . 2]" 1
147 1 24 VAL MG2 1 104 GLN H . . 4.920 4.512 4.003 4.925 0.005 19 0 "[ . 1 . 2]" 1
148 1 106 ILE HB 1 107 LYS H . . 3.250 2.629 2.065 2.808 . 0 0 "[ . 1 . 2]" 1
149 1 107 LYS H 1 107 LYS HB2 . . 3.320 2.455 2.345 2.690 . 0 0 "[ . 1 . 2]" 1
150 1 107 LYS H 1 107 LYS QG . . 3.680 3.247 2.835 3.489 . 0 0 "[ . 1 . 2]" 1
151 1 106 ILE MD 1 107 LYS H . . 4.300 4.144 3.511 4.300 . 0 0 "[ . 1 . 2]" 1
152 1 85 ALA H 1 109 ALA HA . . 4.480 4.240 3.881 4.480 . 0 0 "[ . 1 . 2]" 1
153 1 83 PRO HA 1 85 ALA H . . 4.090 3.836 3.477 4.007 . 0 0 "[ . 1 . 2]" 1
154 1 84 GLU HB3 1 85 ALA H . . 4.610 4.405 4.336 4.509 . 0 0 "[ . 1 . 2]" 1
155 1 85 ALA H 1 110 THR H . . 3.460 3.182 2.630 3.464 0.004 20 0 "[ . 1 . 2]" 1
156 1 84 GLU H 1 85 ALA H . . 3.400 2.826 2.563 2.999 . 0 0 "[ . 1 . 2]" 1
157 1 85 ALA H 1 110 THR HG1 . . 3.240 2.031 1.892 2.547 . 0 0 "[ . 1 . 2]" 1
158 1 84 GLU HA 1 85 ALA H . . 3.260 2.678 2.615 2.837 . 0 0 "[ . 1 . 2]" 1
159 1 84 GLU HB2 1 85 ALA H . . 4.610 4.335 4.170 4.399 . 0 0 "[ . 1 . 2]" 1
160 1 85 ALA H 1 109 ALA MB . . 4.520 3.937 3.514 4.341 . 0 0 "[ . 1 . 2]" 1
161 1 85 ALA H 1 110 THR MG . . 4.240 4.021 3.785 4.231 . 0 0 "[ . 1 . 2]" 1
162 1 15 SER HA 1 17 LEU H . . 3.880 3.471 3.093 3.897 0.017 2 0 "[ . 1 . 2]" 1
163 1 17 LEU H 1 18 PRO HD3 . . 5.500 5.041 4.984 5.071 . 0 0 "[ . 1 . 2]" 1
164 1 17 LEU H 1 18 PRO HD2 . . 4.920 4.791 4.759 4.817 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU H 1 17 LEU HB2 . . 3.200 2.371 2.282 2.641 . 0 0 "[ . 1 . 2]" 1
166 1 17 LEU H 1 17 LEU HB3 . . 3.830 3.598 3.550 3.757 . 0 0 "[ . 1 . 2]" 1
167 1 17 LEU H 1 17 LEU MD2 . . 3.980 2.071 1.884 2.296 . 0 0 "[ . 1 . 2]" 1
168 1 17 LEU H 1 17 LEU MD1 . . 4.150 3.414 2.783 3.823 . 0 0 "[ . 1 . 2]" 1
169 1 30 SER H 1 31 SER H . . 4.750 4.454 4.389 4.543 . 0 0 "[ . 1 . 2]" 1
170 1 30 SER H 1 33 PHE H . . 4.380 4.000 3.671 4.234 . 0 0 "[ . 1 . 2]" 1
171 1 30 SER H 1 34 VAL HA . . 3.810 2.513 2.196 2.906 . 0 0 "[ . 1 . 2]" 1
172 1 29 VAL HA 1 30 SER H . . 2.990 2.166 2.140 2.208 . 0 0 "[ . 1 . 2]" 1
173 1 30 SER H 1 30 SER HB2 . . 3.910 2.965 2.302 3.794 . 0 0 "[ . 1 . 2]" 1
174 1 30 SER H 1 30 SER HB3 . . 3.910 2.871 2.331 3.822 . 0 0 "[ . 1 . 2]" 1
175 1 29 VAL MG1 1 30 SER H . . 4.210 2.898 2.134 4.146 . 0 0 "[ . 1 . 2]" 1
176 1 29 VAL MG2 1 30 SER H . . 4.210 3.690 2.435 4.213 0.003 10 0 "[ . 1 . 2]" 1
177 1 30 SER H 1 34 VAL MG2 . . 4.050 2.346 1.948 2.884 . 0 0 "[ . 1 . 2]" 1
178 1 94 TYR HA 1 95 ASN H . . 3.010 2.164 2.139 2.208 . 0 0 "[ . 1 . 2]" 1
179 1 95 ASN H 1 98 GLY HA2 . . 3.930 3.766 3.519 3.935 0.005 10 0 "[ . 1 . 2]" 1
180 1 94 TYR QD 1 95 ASN H . . 4.640 4.264 3.982 4.448 . 0 0 "[ . 1 . 2]" 1
181 1 18 PRO HG3 1 95 ASN H . . 3.920 3.455 2.664 3.741 . 0 0 "[ . 1 . 2]" 1
182 1 48 ILE MD 1 95 ASN H . . 5.500 5.128 3.903 5.488 . 0 0 "[ . 1 . 2]" 1
183 1 46 GLY H 1 47 ASN H . . 4.760 4.117 3.749 4.423 . 0 0 "[ . 1 . 2]" 1
184 1 18 PRO HD2 1 95 ASN H . . 4.590 4.417 3.984 4.590 . 0 0 "[ . 1 . 2]" 1
185 1 82 LYS H 1 87 TYR QE . . 4.000 2.966 2.137 3.500 . 0 0 "[ . 1 . 2]" 1
186 1 11 ILE H 1 11 ILE MG . . 4.120 2.600 2.176 3.217 . 0 0 "[ . 1 . 2]" 1
187 1 10 ALA H 1 11 ILE H . . 4.530 3.583 2.747 4.473 . 0 0 "[ . 1 . 2]" 1
188 1 11 ILE H 1 11 ILE HG12 . . 3.800 2.477 1.975 3.573 . 0 0 "[ . 1 . 2]" 1
189 1 10 ALA MB 1 11 ILE H . . 3.880 3.612 3.249 3.719 . 0 0 "[ . 1 . 2]" 1
190 1 11 ILE H 1 11 ILE HG13 . . 3.800 2.481 1.892 3.007 . 0 0 "[ . 1 . 2]" 1
191 1 70 GLN H 1 70 GLN QG . . 4.680 3.030 2.189 3.892 . 0 0 "[ . 1 . 2]" 1
192 1 82 LYS H 1 82 LYS HB3 . . 4.070 2.593 2.408 2.901 . 0 0 "[ . 1 . 2]" 1
193 1 82 LYS H 1 82 LYS HD2 . . 5.500 5.201 4.874 5.542 0.042 20 0 "[ . 1 . 2]" 1
194 1 81 LEU HB3 1 82 LYS H . . 4.030 2.581 2.027 3.329 . 0 0 "[ . 1 . 2]" 1
195 1 81 LEU MD2 1 82 LYS H . . 3.930 3.612 3.201 3.907 . 0 0 "[ . 1 . 2]" 1
196 1 81 LEU HA 1 82 LYS H . . 3.370 2.372 2.148 2.637 . 0 0 "[ . 1 . 2]" 1
197 1 60 ASP H 1 60 ASP HB2 . . 3.770 2.551 2.190 3.525 . 0 0 "[ . 1 . 2]" 1
198 1 27 VAL H 1 36 LEU HA . . 3.820 2.647 2.209 2.999 . 0 0 "[ . 1 . 2]" 1
199 1 27 VAL H 1 27 VAL HB . . 4.000 3.382 2.385 3.629 . 0 0 "[ . 1 . 2]" 1
200 1 26 PRO HB3 1 27 VAL H . . 4.600 4.530 4.474 4.551 . 0 0 "[ . 1 . 2]" 1
201 1 27 VAL H 1 27 VAL MG1 . . 3.850 2.448 2.104 3.756 . 0 0 "[ . 1 . 2]" 1
202 1 60 ASP H 1 60 ASP HB3 . . 3.770 3.108 2.232 3.677 . 0 0 "[ . 1 . 2]" 1
203 1 59 GLY H 1 60 ASP H . . 4.210 2.804 1.926 3.770 . 0 0 "[ . 1 . 2]" 1
204 1 57 ARG QB 1 60 ASP H . . 5.010 4.125 3.123 5.007 . 0 0 "[ . 1 . 2]" 1
205 1 88 THR HA 1 89 PHE H . . 3.060 2.174 2.141 2.314 . 0 0 "[ . 1 . 2]" 1
206 1 88 THR HB 1 89 PHE H . . 4.420 4.124 3.560 4.357 . 0 0 "[ . 1 . 2]" 1
207 1 89 PHE H 1 89 PHE QB . . 3.620 2.535 2.395 2.735 . 0 0 "[ . 1 . 2]" 1
208 1 89 PHE H 1 106 ILE HG13 . . 4.340 2.689 2.440 3.011 . 0 0 "[ . 1 . 2]" 1
209 1 89 PHE H 1 107 LYS QG . . 4.700 4.622 4.209 4.704 0.004 8 0 "[ . 1 . 2]" 1
210 1 89 PHE H 1 107 LYS HA . . 4.430 3.658 3.307 4.059 . 0 0 "[ . 1 . 2]" 1
211 1 88 THR MG 1 89 PHE H . . 3.560 2.589 1.888 3.059 . 0 0 "[ . 1 . 2]" 1
212 1 26 PRO HB2 1 27 VAL H . . 4.600 4.232 4.168 4.255 . 0 0 "[ . 1 . 2]" 1
213 1 112 PRO HA 1 113 GLU H . . 3.100 2.354 2.152 3.250 0.150 8 0 "[ . 1 . 2]" 1
214 1 83 PRO HB2 1 113 GLU H . . 4.520 2.798 2.174 4.411 . 0 0 "[ . 1 . 2]" 1
215 1 113 GLU H 1 113 GLU HB3 . . 4.010 2.888 2.407 4.104 0.094 20 0 "[ . 1 . 2]" 1
216 1 113 GLU H 1 113 GLU HB2 . . 4.010 2.962 2.205 3.948 . 0 0 "[ . 1 . 2]" 1
217 1 19 SER HA 1 20 ALA H . . 3.170 2.272 2.139 2.408 . 0 0 "[ . 1 . 2]" 1
218 1 20 ALA H 1 20 ALA MB . . 2.980 2.123 2.029 2.230 . 0 0 "[ . 1 . 2]" 1
219 1 20 ALA H 1 101 GLU HB2 . . 4.600 2.651 1.899 3.615 . 0 0 "[ . 1 . 2]" 1
220 1 91 VAL H 1 103 SER H . . 4.290 4.106 3.655 4.281 . 0 0 "[ . 1 . 2]" 1
221 1 91 VAL H 1 103 SER HG . . 3.500 2.494 1.962 3.499 . 0 0 "[ . 1 . 2]" 1
222 1 90 ARG HA 1 91 VAL H . . 3.260 2.257 2.142 2.503 . 0 0 "[ . 1 . 2]" 1
223 1 91 VAL H 1 103 SER HB3 . . 4.860 4.087 3.229 4.638 . 0 0 "[ . 1 . 2]" 1
224 1 91 VAL H 1 91 VAL HB . . 3.900 2.609 2.410 2.853 . 0 0 "[ . 1 . 2]" 1
225 1 24 VAL MG2 1 91 VAL H . . 4.350 3.356 2.602 4.156 . 0 0 "[ . 1 . 2]" 1
226 1 91 VAL H 1 91 VAL MG2 . . 3.700 2.727 2.345 3.205 . 0 0 "[ . 1 . 2]" 1
227 1 91 VAL H 1 91 VAL MG1 . . 4.440 3.823 3.737 3.909 . 0 0 "[ . 1 . 2]" 1
228 1 91 VAL H 1 103 SER HB2 . . 4.860 4.114 2.131 4.785 . 0 0 "[ . 1 . 2]" 1
229 1 67 ASN H 1 67 ASN HD22 . . 4.900 3.728 2.795 4.469 . 0 0 "[ . 1 . 2]" 1
230 1 66 LEU HG 1 67 ASN H . . 3.800 3.421 3.079 3.739 . 0 0 "[ . 1 . 2]" 1
231 1 102 SER HA 1 103 SER H . . 3.230 2.231 2.140 2.387 . 0 0 "[ . 1 . 2]" 1
232 1 20 ALA MB 1 103 SER H . . 4.260 3.499 2.945 3.925 . 0 0 "[ . 1 . 2]" 1
233 1 92 VAL MG2 1 103 SER H . . 4.140 3.227 2.672 3.600 . 0 0 "[ . 1 . 2]" 1
234 1 67 ASN H 1 68 THR H . . 4.510 4.106 3.973 4.294 . 0 0 "[ . 1 . 2]" 1
235 1 67 ASN H 1 67 ASN HB3 . . 3.850 3.155 2.542 3.809 . 0 0 "[ . 1 . 2]" 1
236 1 66 LEU HA 1 67 ASN H . . 2.910 2.154 2.140 2.199 . 0 0 "[ . 1 . 2]" 1
237 1 67 ASN H 1 67 ASN HB2 . . 3.850 3.620 2.820 3.847 . 0 0 "[ . 1 . 2]" 1
238 1 66 LEU HB3 1 67 ASN H . . 4.650 4.369 4.227 4.472 . 0 0 "[ . 1 . 2]" 1
239 1 103 SER H 1 103 SER HG . . 4.290 3.211 2.099 3.894 . 0 0 "[ . 1 . 2]" 1
240 1 92 VAL HA 1 103 SER H . . 4.270 3.732 3.279 4.189 . 0 0 "[ . 1 . 2]" 1
241 1 65 ALA H 1 66 LEU H . . 4.530 4.248 4.063 4.402 . 0 0 "[ . 1 . 2]" 1
242 1 64 ARG HA 1 65 ALA H . . 2.960 2.492 2.282 2.605 . 0 0 "[ . 1 . 2]" 1
243 1 64 ARG HB2 1 65 ALA H . . 3.860 3.532 3.234 3.895 0.035 20 0 "[ . 1 . 2]" 1
244 1 65 ALA H 1 65 ALA MB . . 3.080 2.605 2.448 2.713 . 0 0 "[ . 1 . 2]" 1
245 1 55 PHE QE 1 65 ALA H . . 4.980 4.150 3.751 4.474 . 0 0 "[ . 1 . 2]" 1
246 1 54 PHE QD 1 65 ALA H . . 5.500 5.006 4.637 5.325 . 0 0 "[ . 1 . 2]" 1
247 1 55 PHE QD 1 65 ALA H . . 5.500 5.384 5.092 5.503 0.003 3 0 "[ . 1 . 2]" 1
248 1 64 ARG HB3 1 65 ALA H . . 3.860 2.258 2.030 2.737 . 0 0 "[ . 1 . 2]" 1
249 1 28 LEU H 1 35 ARG H . . 4.320 4.017 3.071 4.341 0.021 14 0 "[ . 1 . 2]" 1
250 1 27 VAL H 1 28 LEU H . . 2.910 2.766 2.618 2.924 0.014 19 0 "[ . 1 . 2]" 1
251 1 28 LEU H 1 36 LEU HA . . 4.590 3.920 3.542 4.266 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU H 1 28 LEU QB . . 3.340 2.769 2.556 2.903 . 0 0 "[ . 1 . 2]" 1
253 1 28 LEU H 1 35 ARG HG2 . . 4.780 4.259 3.606 4.778 . 0 0 "[ . 1 . 2]" 1
254 1 28 LEU H 1 28 LEU MD1 . . 5.030 4.380 4.111 4.934 . 0 0 "[ . 1 . 2]" 1
255 1 28 LEU H 1 28 LEU MD2 . . 5.030 4.359 3.709 4.805 . 0 0 "[ . 1 . 2]" 1
256 1 27 VAL MG2 1 28 LEU H . . 4.220 2.547 1.927 4.111 . 0 0 "[ . 1 . 2]" 1
257 1 84 GLU H 1 84 GLU HG2 . . 4.740 3.423 2.746 3.805 . 0 0 "[ . 1 . 2]" 1
258 1 84 GLU H 1 110 THR HG1 . . 3.710 2.284 1.934 2.985 . 0 0 "[ . 1 . 2]" 1
259 1 83 PRO HA 1 84 GLU H . . 3.250 2.281 2.223 2.357 . 0 0 "[ . 1 . 2]" 1
260 1 84 GLU H 1 112 PRO HA . . 4.280 3.528 3.303 4.100 . 0 0 "[ . 1 . 2]" 1
261 1 83 PRO HB2 1 84 GLU H . . 4.050 2.952 2.729 3.148 . 0 0 "[ . 1 . 2]" 1
262 1 83 PRO HB3 1 84 GLU H . . 4.050 3.639 3.514 3.754 . 0 0 "[ . 1 . 2]" 1
263 1 84 GLU H 1 110 THR MG . . 4.490 4.329 3.797 4.494 0.004 20 0 "[ . 1 . 2]" 1
264 1 55 PHE QD 1 90 ARG H . . 5.220 4.949 4.436 5.216 . 0 0 "[ . 1 . 2]" 1
265 1 55 PHE HA 1 90 ARG H . . 4.480 4.348 4.030 4.473 . 0 0 "[ . 1 . 2]" 1
266 1 90 ARG H 1 90 ARG HG3 . . 4.150 3.215 2.357 4.140 . 0 0 "[ . 1 . 2]" 1
267 1 53 VAL MG1 1 90 ARG H . . 4.190 2.775 2.387 3.382 . 0 0 "[ . 1 . 2]" 1
268 1 89 PHE QD 1 90 ARG H . . 4.470 4.109 3.721 4.474 0.004 6 0 "[ . 1 . 2]" 1
269 1 89 PHE HA 1 90 ARG H . . 3.030 2.253 2.147 2.392 . 0 0 "[ . 1 . 2]" 1
270 1 55 PHE HB3 1 90 ARG H . . 4.690 4.571 4.339 4.685 . 0 0 "[ . 1 . 2]" 1
271 1 89 PHE QB 1 90 ARG H . . 3.730 2.795 2.426 3.222 . 0 0 "[ . 1 . 2]" 1
272 1 90 ARG H 1 90 ARG HG2 . . 4.150 3.431 2.373 4.161 0.011 6 0 "[ . 1 . 2]" 1
273 1 36 LEU MD1 1 90 ARG H . . 4.680 4.268 3.750 4.684 0.004 17 0 "[ . 1 . 2]" 1
274 1 96 GLU H 1 97 TRP H . . 3.860 3.118 2.778 3.361 . 0 0 "[ . 1 . 2]" 1
275 1 97 TRP H 1 97 TRP HD1 . . 3.880 3.268 2.711 3.535 . 0 0 "[ . 1 . 2]" 1
276 1 97 TRP H 1 97 TRP QB . . 3.230 2.496 2.292 2.688 . 0 0 "[ . 1 . 2]" 1
277 1 22 ARG H 1 38 TRP HD1 . . 5.500 4.685 3.963 5.440 . 0 0 "[ . 1 . 2]" 1
278 1 21 PRO HA 1 22 ARG H . . 3.040 2.394 2.246 2.707 . 0 0 "[ . 1 . 2]" 1
279 1 22 ARG H 1 38 TRP HB3 . . 5.500 5.303 4.251 5.510 0.010 3 0 "[ . 1 . 2]" 1
280 1 22 ARG H 1 39 ARG HD2 . . 5.500 3.843 2.393 5.355 . 0 0 "[ . 1 . 2]" 1
281 1 22 ARG H 1 22 ARG QD . . 5.000 4.271 3.727 4.713 . 0 0 "[ . 1 . 2]" 1
282 1 22 ARG H 1 39 ARG HD3 . . 5.500 4.533 3.349 5.521 0.021 3 0 "[ . 1 . 2]" 1
283 1 22 ARG H 1 38 TRP HB2 . . 4.590 3.735 2.759 4.087 . 0 0 "[ . 1 . 2]" 1
284 1 21 PRO HB2 1 22 ARG H . . 4.190 2.653 1.934 3.063 . 0 0 "[ . 1 . 2]" 1
285 1 22 ARG H 1 24 VAL MG2 . . 5.120 4.715 4.420 5.066 . 0 0 "[ . 1 . 2]" 1
286 1 22 ARG H 1 39 ARG H . . 3.850 2.817 2.139 3.272 . 0 0 "[ . 1 . 2]" 1
287 1 22 ARG H 1 22 ARG HB2 . . 3.580 3.198 2.492 3.601 0.021 15 0 "[ . 1 . 2]" 1
288 1 22 ARG H 1 22 ARG HB3 . . 3.580 2.378 2.203 2.579 . 0 0 "[ . 1 . 2]" 1
289 1 21 PRO HB3 1 22 ARG H . . 4.190 3.484 3.158 3.702 . 0 0 "[ . 1 . 2]" 1
290 1 85 ALA HA 1 86 MET H . . 2.870 2.220 2.149 2.394 . 0 0 "[ . 1 . 2]" 1
291 1 58 GLU QG 1 86 MET H . . 5.010 4.510 3.464 5.012 0.002 19 0 "[ . 1 . 2]" 1
292 1 86 MET H 1 87 TYR H . . 4.760 4.527 4.386 4.601 . 0 0 "[ . 1 . 2]" 1
293 1 86 MET H 1 86 MET QB . . 3.080 2.306 2.184 2.692 . 0 0 "[ . 1 . 2]" 1
294 1 85 ALA MB 1 86 MET H . . 3.260 2.885 2.485 3.163 . 0 0 "[ . 1 . 2]" 1
295 1 35 ARG HA 1 76 LEU H . . 5.100 4.630 4.238 4.967 . 0 0 "[ . 1 . 2]" 1
296 1 76 LEU H 1 77 THR H . . 4.590 4.284 4.112 4.420 . 0 0 "[ . 1 . 2]" 1
297 1 36 LEU H 1 76 LEU H . . 3.850 3.052 2.687 3.472 . 0 0 "[ . 1 . 2]" 1
298 1 75 GLN H 1 76 LEU H . . 4.710 4.412 4.258 4.475 . 0 0 "[ . 1 . 2]" 1
299 1 38 TRP HZ3 1 76 LEU H . . 3.860 2.852 2.536 3.202 . 0 0 "[ . 1 . 2]" 1
300 1 38 TRP HH2 1 76 LEU H . . 4.350 3.261 2.922 3.738 . 0 0 "[ . 1 . 2]" 1
301 1 37 SER HA 1 76 LEU H . . 4.350 4.156 3.982 4.348 . 0 0 "[ . 1 . 2]" 1
302 1 75 GLN HA 1 76 LEU H . . 3.000 2.168 2.154 2.200 . 0 0 "[ . 1 . 2]" 1
303 1 75 GLN QG 1 76 LEU H . . 4.310 4.118 3.711 4.310 0.000 7 0 "[ . 1 . 2]" 1
304 1 75 GLN HB3 1 76 LEU H . . 4.280 3.192 3.024 3.280 . 0 0 "[ . 1 . 2]" 1
305 1 110 THR HG1 1 111 GLN H . . 4.650 4.096 3.593 4.493 . 0 0 "[ . 1 . 2]" 1
306 1 31 SER HA 1 111 GLN H . . 3.600 2.150 1.925 2.620 . 0 0 "[ . 1 . 2]" 1
307 1 110 THR HA 1 111 GLN H . . 3.210 2.478 2.279 2.641 . 0 0 "[ . 1 . 2]" 1
308 1 31 SER HB2 1 111 GLN H . . 4.700 4.221 3.374 4.708 0.008 18 0 "[ . 1 . 2]" 1
309 1 31 SER HB3 1 111 GLN H . . 4.700 3.905 3.479 4.531 . 0 0 "[ . 1 . 2]" 1
310 1 111 GLN H 1 111 GLN HG3 . . 3.600 2.372 2.155 2.576 . 0 0 "[ . 1 . 2]" 1
311 1 62 ARG H 1 63 GLU H . . 4.760 4.475 3.830 4.616 . 0 0 "[ . 1 . 2]" 1
312 1 56 SER QB 1 62 ARG H . . 5.090 4.868 3.049 5.090 0.000 2 0 "[ . 1 . 2]" 1
313 1 24 VAL H 1 25 VAL H . . 4.530 4.489 4.349 4.556 0.026 11 0 "[ . 1 . 2]" 1
314 1 24 VAL H 1 24 VAL HB . . 3.130 2.641 2.513 2.824 . 0 0 "[ . 1 . 2]" 1
315 1 62 ARG H 1 62 ARG QB . . 3.130 2.551 2.231 3.112 . 0 0 "[ . 1 . 2]" 1
316 1 62 ARG H 1 62 ARG QG . . 3.510 2.703 1.986 3.446 . 0 0 "[ . 1 . 2]" 1
317 1 95 ASN HB2 1 96 GLU H . . 3.890 2.272 2.017 2.779 . 0 0 "[ . 1 . 2]" 1
318 1 95 ASN HB3 1 96 GLU H . . 3.890 3.625 2.328 3.787 . 0 0 "[ . 1 . 2]" 1
319 1 96 GLU H 1 96 GLU HB3 . . 4.050 3.041 2.471 3.623 . 0 0 "[ . 1 . 2]" 1
320 1 96 GLU H 1 96 GLU HB2 . . 4.050 2.436 2.174 3.593 . 0 0 "[ . 1 . 2]" 1
321 1 51 PHE H 1 52 THR H . . 4.640 4.384 4.286 4.504 . 0 0 "[ . 1 . 2]" 1
322 1 51 PHE H 1 51 PHE QD . . 3.820 2.757 2.357 2.993 . 0 0 "[ . 1 . 2]" 1
323 1 51 PHE H 1 69 THR H . . 4.320 4.141 3.908 4.324 0.004 20 0 "[ . 1 . 2]" 1
324 1 50 THR HA 1 51 PHE H . . 3.170 2.548 2.411 2.622 . 0 0 "[ . 1 . 2]" 1
325 1 50 THR HB 1 51 PHE H . . 3.690 3.614 3.474 3.692 0.002 3 0 "[ . 1 . 2]" 1
326 1 51 PHE H 1 69 THR MG . . 3.810 3.199 2.294 3.813 0.003 16 0 "[ . 1 . 2]" 1
327 1 50 THR MG 1 51 PHE H . . 3.900 3.074 2.683 3.590 . 0 0 "[ . 1 . 2]" 1
328 1 24 VAL H 1 24 VAL MG2 . . 2.970 2.089 1.883 2.409 . 0 0 "[ . 1 . 2]" 1
329 1 23 ASP H 1 24 VAL H . . 4.460 4.257 4.064 4.461 0.001 9 0 "[ . 1 . 2]" 1
330 1 22 ARG HB3 1 23 ASP H . . 4.400 3.871 3.669 4.174 . 0 0 "[ . 1 . 2]" 1
331 1 22 ARG HB2 1 23 ASP H . . 4.400 2.996 2.180 3.972 . 0 0 "[ . 1 . 2]" 1
332 1 38 TRP H 1 76 LEU H . . 5.500 5.481 5.400 5.543 0.043 19 0 "[ . 1 . 2]" 1
333 1 38 TRP H 1 39 ARG H . . 4.560 4.430 4.391 4.482 . 0 0 "[ . 1 . 2]" 1
334 1 37 SER H 1 38 TRP H . . 4.480 4.338 4.177 4.448 . 0 0 "[ . 1 . 2]" 1
335 1 38 TRP H 1 38 TRP HE3 . . 4.070 3.043 2.610 3.616 . 0 0 "[ . 1 . 2]" 1
336 1 38 TRP H 1 38 TRP HE1 . . 5.330 5.068 4.809 5.332 0.002 10 0 "[ . 1 . 2]" 1
337 1 37 SER HA 1 38 TRP H . . 3.080 2.157 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
338 1 38 TRP H 1 75 GLN HA . . 4.040 3.864 3.672 4.067 0.027 18 0 "[ . 1 . 2]" 1
339 1 37 SER HB2 1 38 TRP H . . 4.410 4.066 3.264 4.391 . 0 0 "[ . 1 . 2]" 1
340 1 37 SER HB3 1 38 TRP H . . 4.410 4.139 3.413 4.441 0.031 18 0 "[ . 1 . 2]" 1
341 1 38 TRP H 1 74 LEU HB2 . . 4.050 3.683 3.374 4.087 0.037 17 0 "[ . 1 . 2]" 1
342 1 101 GLU H 1 102 SER H . . 4.620 4.572 4.502 4.645 0.025 6 0 "[ . 1 . 2]" 1
343 1 100 GLY H 1 101 GLU H . . 4.350 4.113 3.833 4.346 . 0 0 "[ . 1 . 2]" 1
344 1 19 SER HA 1 101 GLU H . . 4.000 3.678 3.320 4.000 . 0 0 "[ . 1 . 2]" 1
345 1 100 GLY HA2 1 101 GLU H . . 3.390 3.023 2.817 3.227 . 0 0 "[ . 1 . 2]" 1
346 1 100 GLY HA3 1 101 GLU H . . 3.390 2.217 2.139 2.339 . 0 0 "[ . 1 . 2]" 1
347 1 18 PRO HD2 1 101 GLU H . . 4.660 4.403 3.919 4.668 0.008 14 0 "[ . 1 . 2]" 1
348 1 101 GLU H 1 101 GLU HB2 . . 3.690 2.298 2.171 2.581 . 0 0 "[ . 1 . 2]" 1
349 1 101 GLU H 1 101 GLU HB3 . . 3.690 3.195 2.496 3.554 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU HB3 1 101 GLU H . . 4.560 3.497 3.083 3.854 . 0 0 "[ . 1 . 2]" 1
351 1 17 LEU HB2 1 101 GLU H . . 4.610 4.118 3.617 4.613 0.003 8 0 "[ . 1 . 2]" 1
352 1 38 TRP H 1 75 GLN QG . . 4.200 3.636 3.042 4.199 . 0 0 "[ . 1 . 2]" 1
353 1 38 TRP H 1 74 LEU HB3 . . 4.050 3.137 2.536 3.693 . 0 0 "[ . 1 . 2]" 1
354 1 55 PHE H 1 65 ALA MB . . 5.460 5.108 4.251 5.363 . 0 0 "[ . 1 . 2]" 1
355 1 55 PHE H 1 55 PHE QE . . 4.340 4.200 3.890 4.368 0.028 20 0 "[ . 1 . 2]" 1
356 1 55 PHE H 1 55 PHE QD . . 3.480 2.843 2.513 3.164 . 0 0 "[ . 1 . 2]" 1
357 1 54 PHE HA 1 55 PHE H . . 3.030 2.300 2.168 2.399 . 0 0 "[ . 1 . 2]" 1
358 1 55 PHE H 1 65 ALA HA . . 4.390 4.182 3.744 4.411 0.021 5 0 "[ . 1 . 2]" 1
359 1 55 PHE H 1 63 GLU HA . . 5.000 4.541 3.908 4.916 . 0 0 "[ . 1 . 2]" 1
360 1 54 PHE HB2 1 55 PHE H . . 4.370 3.834 3.563 4.138 . 0 0 "[ . 1 . 2]" 1
361 1 54 PHE HB3 1 55 PHE H . . 4.370 2.720 2.445 3.178 . 0 0 "[ . 1 . 2]" 1
362 1 55 PHE H 1 63 GLU HG2 . . 4.780 4.017 2.188 4.780 0.000 18 0 "[ . 1 . 2]" 1
363 1 55 PHE H 1 63 GLU HG3 . . 4.780 3.941 2.584 4.804 0.024 5 0 "[ . 1 . 2]" 1
364 1 52 THR H 1 94 TYR H . . 4.760 4.109 3.659 4.491 . 0 0 "[ . 1 . 2]" 1
365 1 51 PHE QD 1 52 THR H . . 4.380 4.134 3.854 4.378 . 0 0 "[ . 1 . 2]" 1
366 1 52 THR H 1 94 TYR QE . . 4.070 3.912 3.395 4.073 0.003 15 0 "[ . 1 . 2]" 1
367 1 51 PHE HA 1 52 THR H . . 3.220 2.156 2.138 2.208 . 0 0 "[ . 1 . 2]" 1
368 1 52 THR H 1 52 THR HB . . 3.620 2.599 2.405 2.749 . 0 0 "[ . 1 . 2]" 1
369 1 51 PHE HB3 1 52 THR H . . 4.440 3.320 2.986 3.576 . 0 0 "[ . 1 . 2]" 1
370 1 52 THR H 1 92 VAL HB . . 4.520 3.499 3.108 3.675 . 0 0 "[ . 1 . 2]" 1
371 1 52 THR H 1 92 VAL MG2 . . 4.860 4.771 4.464 4.863 0.003 17 0 "[ . 1 . 2]" 1
372 1 50 THR MG 1 52 THR H . . 5.040 4.260 3.732 4.752 . 0 0 "[ . 1 . 2]" 1
373 1 52 THR H 1 92 VAL MG1 . . 5.300 4.256 3.788 4.699 . 0 0 "[ . 1 . 2]" 1
374 1 52 THR H 1 53 VAL MG2 . . 4.750 4.365 4.162 4.595 . 0 0 "[ . 1 . 2]" 1
375 1 52 THR H 1 52 THR MG . . 4.350 3.803 3.746 3.847 . 0 0 "[ . 1 . 2]" 1
376 1 34 VAL H 1 81 LEU HG . . 4.990 4.660 4.376 4.956 . 0 0 "[ . 1 . 2]" 1
377 1 34 VAL H 1 78 VAL H . . 4.040 3.031 2.682 3.249 . 0 0 "[ . 1 . 2]" 1
378 1 34 VAL H 1 89 PHE QE . . 5.470 4.665 4.021 5.261 . 0 0 "[ . 1 . 2]" 1
379 1 33 PHE QD 1 34 VAL H . . 4.040 2.581 2.237 2.819 . 0 0 "[ . 1 . 2]" 1
380 1 33 PHE HA 1 34 VAL H . . 3.230 2.539 2.455 2.583 . 0 0 "[ . 1 . 2]" 1
381 1 33 PHE HB2 1 34 VAL H . . 4.070 2.228 2.116 2.416 . 0 0 "[ . 1 . 2]" 1
382 1 33 PHE HB3 1 34 VAL H . . 4.070 3.698 3.609 3.835 . 0 0 "[ . 1 . 2]" 1
383 1 34 VAL H 1 78 VAL HB . . 4.250 3.445 3.160 3.808 . 0 0 "[ . 1 . 2]" 1
384 1 34 VAL H 1 34 VAL HB . . 3.730 2.903 2.768 2.992 . 0 0 "[ . 1 . 2]" 1
385 1 34 VAL H 1 34 VAL MG2 . . 3.930 3.152 3.012 3.341 . 0 0 "[ . 1 . 2]" 1
386 1 34 VAL H 1 77 THR MG . . 4.290 3.134 2.612 3.598 . 0 0 "[ . 1 . 2]" 1
387 1 34 VAL H 1 34 VAL MG1 . . 4.540 3.918 3.854 3.977 . 0 0 "[ . 1 . 2]" 1
388 1 34 VAL H 1 81 LEU MD1 . . 3.740 2.855 2.602 3.131 . 0 0 "[ . 1 . 2]" 1
389 1 93 ALA H 1 94 TYR H . . 5.260 4.453 4.372 4.535 . 0 0 "[ . 1 . 2]" 1
390 1 94 TYR H 1 94 TYR QD . . 3.640 3.177 2.922 3.445 . 0 0 "[ . 1 . 2]" 1
391 1 93 ALA MB 1 94 TYR H . . 3.700 3.134 2.941 3.284 . 0 0 "[ . 1 . 2]" 1
392 1 48 ILE MG 1 94 TYR H . . 3.880 2.861 2.405 3.355 . 0 0 "[ . 1 . 2]" 1
393 1 51 PHE QD 1 94 TYR H . . 5.060 4.614 4.253 5.023 . 0 0 "[ . 1 . 2]" 1
394 1 51 PHE HA 1 94 TYR H . . 4.120 3.254 2.779 3.593 . 0 0 "[ . 1 . 2]" 1
395 1 50 THR MG 1 94 TYR H . . 5.130 4.674 4.277 5.062 . 0 0 "[ . 1 . 2]" 1
396 1 52 THR H 1 94 TYR QD . . 4.170 2.688 2.385 2.920 . 0 0 "[ . 1 . 2]" 1
397 1 51 PHE HB2 1 52 THR H . . 4.440 4.314 4.050 4.442 0.002 3 0 "[ . 1 . 2]" 1
398 1 52 THR H 1 91 VAL MG1 . . 4.620 4.251 3.966 4.613 . 0 0 "[ . 1 . 2]" 1
399 1 106 ILE H 1 107 LYS H . . 4.810 4.522 4.450 4.574 . 0 0 "[ . 1 . 2]" 1
400 1 89 PHE QB 1 106 ILE H . . 4.440 4.116 3.723 4.439 . 0 0 "[ . 1 . 2]" 1
401 1 89 PHE H 1 106 ILE H . . 3.690 3.426 3.095 3.640 . 0 0 "[ . 1 . 2]" 1
402 1 88 THR HA 1 106 ILE H . . 4.860 4.640 4.249 4.861 0.001 16 0 "[ . 1 . 2]" 1
403 1 105 PRO HB2 1 106 ILE H . . 4.250 3.625 3.177 3.851 . 0 0 "[ . 1 . 2]" 1
404 1 106 ILE H 1 106 ILE HG13 . . 3.820 2.760 2.591 3.031 . 0 0 "[ . 1 . 2]" 1
405 1 106 ILE H 1 106 ILE HG12 . . 3.610 2.334 2.088 2.626 . 0 0 "[ . 1 . 2]" 1
406 1 80 ASN H 1 81 LEU H . . 3.540 2.712 2.581 2.958 . 0 0 "[ . 1 . 2]" 1
407 1 33 PHE HA 1 81 LEU H . . 4.520 3.955 3.758 4.197 . 0 0 "[ . 1 . 2]" 1
408 1 79 GLY HA2 1 81 LEU H . . 4.750 3.817 3.611 3.936 . 0 0 "[ . 1 . 2]" 1
409 1 32 ARG HA 1 81 LEU H . . 3.950 3.311 2.915 3.719 . 0 0 "[ . 1 . 2]" 1
410 1 80 ASN HA 1 81 LEU H . . 3.390 2.682 2.636 2.779 . 0 0 "[ . 1 . 2]" 1
411 1 79 GLY HA3 1 81 LEU H . . 4.750 4.615 4.508 4.723 . 0 0 "[ . 1 . 2]" 1
412 1 81 LEU H 1 81 LEU HG . . 3.190 2.721 2.548 3.006 . 0 0 "[ . 1 . 2]" 1
413 1 24 VAL HA 1 39 ARG H . . 5.150 4.893 4.556 5.167 0.017 7 0 "[ . 1 . 2]" 1
414 1 38 TRP HA 1 39 ARG H . . 3.270 2.460 2.301 2.595 . 0 0 "[ . 1 . 2]" 1
415 1 38 TRP HB3 1 39 ARG H . . 3.930 3.687 3.452 3.883 . 0 0 "[ . 1 . 2]" 1
416 1 38 TRP HB2 1 39 ARG H . . 3.510 2.332 2.036 2.697 . 0 0 "[ . 1 . 2]" 1
417 1 39 ARG H 1 39 ARG HB3 . . 3.770 2.638 2.303 2.866 . 0 0 "[ . 1 . 2]" 1
418 1 22 ARG HG2 1 39 ARG H . . 4.530 3.327 1.971 4.542 0.012 18 0 "[ . 1 . 2]" 1
419 1 39 ARG H 1 39 ARG HB2 . . 3.770 3.001 2.297 3.725 . 0 0 "[ . 1 . 2]" 1
420 1 24 VAL MG2 1 39 ARG H . . 4.790 4.420 3.558 4.796 0.006 18 0 "[ . 1 . 2]" 1
421 1 38 TRP HD1 1 39 ARG H . . 4.390 3.587 3.169 4.035 . 0 0 "[ . 1 . 2]" 1
422 1 102 SER H 1 102 SER HB2 . . 3.800 3.396 2.387 3.694 . 0 0 "[ . 1 . 2]" 1
423 1 102 SER H 1 102 SER HB3 . . 3.800 2.807 2.477 3.678 . 0 0 "[ . 1 . 2]" 1
424 1 101 GLU QG 1 102 SER H . . 3.870 3.330 2.221 3.911 0.041 6 0 "[ . 1 . 2]" 1
425 1 101 GLU HB2 1 102 SER H . . 4.370 4.248 4.045 4.380 0.010 14 0 "[ . 1 . 2]" 1
426 1 101 GLU HB3 1 102 SER H . . 4.370 3.480 2.769 4.054 . 0 0 "[ . 1 . 2]" 1
427 1 102 SER H 1 103 SER H . . 4.660 4.546 4.397 4.600 . 0 0 "[ . 1 . 2]" 1
428 1 92 VAL MG2 1 102 SER H . . 5.160 4.987 4.714 5.146 . 0 0 "[ . 1 . 2]" 1
429 1 18 PRO HA 1 19 SER H . . 2.930 2.177 2.150 2.232 . 0 0 "[ . 1 . 2]" 1
430 1 19 SER H 1 19 SER HB2 . . 4.080 2.611 2.200 3.604 . 0 0 "[ . 1 . 2]" 1
431 1 19 SER H 1 41 PRO HB2 . . 4.100 3.478 2.665 4.088 . 0 0 "[ . 1 . 2]" 1
432 1 19 SER H 1 41 PRO HA . . 5.100 4.636 3.839 5.106 0.006 5 0 "[ . 1 . 2]" 1
433 1 30 SER HB3 1 31 SER H . . 4.110 3.131 1.952 4.023 . 0 0 "[ . 1 . 2]" 1
434 1 30 SER HB2 1 31 SER H . . 4.110 3.474 2.030 3.896 . 0 0 "[ . 1 . 2]" 1
435 1 16 VAL H 1 17 LEU H . . 3.300 2.342 1.806 3.005 . 0 0 "[ . 1 . 2]" 1
436 1 15 SER HA 1 16 VAL H . . 3.570 2.877 2.147 3.564 . 0 0 "[ . 1 . 2]" 1
437 1 16 VAL H 1 17 LEU HB2 . . 5.040 4.344 3.838 4.922 . 0 0 "[ . 1 . 2]" 1
438 1 16 VAL H 1 17 LEU MD1 . . 4.990 4.355 3.596 4.890 . 0 0 "[ . 1 . 2]" 1
439 1 16 VAL H 1 16 VAL MG2 . . 4.000 2.145 1.859 3.792 . 0 0 "[ . 1 . 2]" 1
440 1 42 ALA H 1 43 GLU H . . 3.670 2.726 1.956 3.070 . 0 0 "[ . 1 . 2]" 1
441 1 19 SER H 1 43 GLU H . . 4.710 3.898 2.994 4.711 0.001 18 0 "[ . 1 . 2]" 1
442 1 41 PRO HA 1 43 GLU H . . 4.250 3.756 3.318 4.181 . 0 0 "[ . 1 . 2]" 1
443 1 43 GLU H 1 43 GLU HG2 . . 4.350 3.692 2.145 4.110 . 0 0 "[ . 1 . 2]" 1
444 1 43 GLU H 1 43 GLU HG3 . . 4.350 3.549 3.018 4.295 . 0 0 "[ . 1 . 2]" 1
445 1 42 ALA MB 1 43 GLU H . . 3.480 2.729 2.411 2.980 . 0 0 "[ . 1 . 2]" 1
446 1 72 GLY H 1 73 SER H . . 3.550 2.223 1.781 2.846 . 0 0 "[ . 1 . 2]" 1
447 1 73 SER H 1 74 LEU H . . 4.760 4.437 4.260 4.552 . 0 0 "[ . 1 . 2]" 1
448 1 71 PRO HA 1 73 SER H . . 4.390 4.064 3.697 4.297 . 0 0 "[ . 1 . 2]" 1
449 1 73 SER H 1 73 SER HB2 . . 3.600 2.818 2.215 3.676 0.076 7 0 "[ . 1 . 2]" 1
450 1 73 SER H 1 73 SER HB3 . . 3.600 3.128 2.516 3.656 0.056 6 0 "[ . 1 . 2]" 1
451 1 88 THR H 1 89 PHE H . . 4.800 4.402 4.181 4.595 . 0 0 "[ . 1 . 2]" 1
452 1 87 TYR HA 1 88 THR H . . 2.990 2.213 2.138 2.378 . 0 0 "[ . 1 . 2]" 1
453 1 57 ARG HA 1 88 THR H . . 4.450 4.264 3.816 4.452 0.002 2 0 "[ . 1 . 2]" 1
454 1 88 THR H 1 88 THR HB . . 3.470 2.635 2.486 2.847 . 0 0 "[ . 1 . 2]" 1
455 1 87 TYR HB2 1 88 THR H . . 4.340 4.150 3.776 4.343 0.003 2 0 "[ . 1 . 2]" 1
456 1 87 TYR HB3 1 88 THR H . . 4.340 3.033 2.485 3.448 . 0 0 "[ . 1 . 2]" 1
457 1 88 THR H 1 89 PHE QD . . 4.470 4.422 4.280 4.473 0.003 6 0 "[ . 1 . 2]" 1
458 1 88 THR H 1 88 THR MG . . 4.130 3.826 3.779 3.927 . 0 0 "[ . 1 . 2]" 1
459 1 37 SER H 1 38 TRP HE3 . . 4.460 3.794 3.348 4.208 . 0 0 "[ . 1 . 2]" 1
460 1 36 LEU MD1 1 37 SER H . . 5.330 5.080 4.771 5.229 . 0 0 "[ . 1 . 2]" 1
461 1 36 LEU HA 1 37 SER H . . 3.050 2.201 2.157 2.338 . 0 0 "[ . 1 . 2]" 1
462 1 24 VAL HA 1 37 SER H . . 5.010 4.868 4.428 5.043 0.033 19 0 "[ . 1 . 2]" 1
463 1 37 SER H 1 37 SER HB2 . . 4.120 3.183 2.715 3.846 . 0 0 "[ . 1 . 2]" 1
464 1 37 SER H 1 37 SER HB3 . . 4.120 2.774 2.570 3.812 . 0 0 "[ . 1 . 2]" 1
465 1 27 VAL HB 1 37 SER H . . 5.400 4.793 3.104 5.395 . 0 0 "[ . 1 . 2]" 1
466 1 37 SER H 1 75 GLN QG . . 5.500 4.564 4.176 5.185 . 0 0 "[ . 1 . 2]" 1
467 1 36 LEU HB2 1 37 SER H . . 4.080 3.886 3.415 4.023 . 0 0 "[ . 1 . 2]" 1
468 1 36 LEU HB3 1 37 SER H . . 3.720 3.042 2.694 3.249 . 0 0 "[ . 1 . 2]" 1
469 1 25 VAL MG2 1 37 SER H . . 4.200 3.606 3.078 3.968 . 0 0 "[ . 1 . 2]" 1
470 1 27 VAL MG1 1 37 SER H . . 4.650 2.957 2.257 4.599 . 0 0 "[ . 1 . 2]" 1
471 1 27 VAL MG2 1 37 SER H . . 4.650 2.874 1.961 4.652 0.002 2 0 "[ . 1 . 2]" 1
472 1 36 LEU MD2 1 37 SER H . . 4.110 3.902 3.686 4.079 . 0 0 "[ . 1 . 2]" 1
473 1 45 LYS H 1 46 GLY H . . 4.030 2.806 2.645 3.023 . 0 0 "[ . 1 . 2]" 1
474 1 43 GLU HA 1 45 LYS H . . 4.200 3.433 3.006 3.815 . 0 0 "[ . 1 . 2]" 1
475 1 36 LEU H 1 78 VAL H . . 4.910 4.665 4.445 4.881 . 0 0 "[ . 1 . 2]" 1
476 1 35 ARG HA 1 78 VAL H . . 3.890 3.220 2.750 3.791 . 0 0 "[ . 1 . 2]" 1
477 1 77 THR HA 1 78 VAL H . . 3.180 2.158 2.142 2.234 . 0 0 "[ . 1 . 2]" 1
478 1 78 VAL H 1 78 VAL HB . . 3.620 2.561 2.489 2.747 . 0 0 "[ . 1 . 2]" 1
479 1 77 THR MG 1 78 VAL H . . 3.510 2.897 2.416 3.408 . 0 0 "[ . 1 . 2]" 1
480 1 78 VAL H 1 78 VAL MG2 . . 3.510 2.498 2.031 2.766 . 0 0 "[ . 1 . 2]" 1
481 1 44 ALA H 1 45 LYS H . . 3.810 2.340 1.802 2.725 . 0 0 "[ . 1 . 2]" 1
482 1 44 ALA MB 1 45 LYS H . . 3.650 3.033 2.610 3.550 . 0 0 "[ . 1 . 2]" 1
483 1 50 THR MG 1 67 ASN HD21 . . 4.350 3.144 1.909 4.373 0.023 19 0 "[ . 1 . 2]" 1
484 1 50 THR MG 1 67 ASN HD22 . . 4.500 4.046 3.407 4.503 0.003 15 0 "[ . 1 . 2]" 1
485 1 55 PHE H 1 56 SER H . . 4.720 4.164 4.044 4.409 . 0 0 "[ . 1 . 2]" 1
486 1 56 SER H 1 88 THR H . . 3.580 2.965 2.503 3.296 . 0 0 "[ . 1 . 2]" 1
487 1 55 PHE HA 1 56 SER H . . 3.040 2.184 2.139 2.370 . 0 0 "[ . 1 . 2]" 1
488 1 56 SER H 1 89 PHE HA . . 4.810 4.533 4.225 4.726 . 0 0 "[ . 1 . 2]" 1
489 1 56 SER H 1 87 TYR HA . . 4.740 4.372 3.974 4.688 . 0 0 "[ . 1 . 2]" 1
490 1 56 SER H 1 56 SER QB . . 3.870 3.094 2.649 3.318 . 0 0 "[ . 1 . 2]" 1
491 1 55 PHE HB3 1 56 SER H . . 4.310 4.025 3.553 4.272 . 0 0 "[ . 1 . 2]" 1
492 1 55 PHE HB2 1 56 SER H . . 3.690 3.176 2.544 3.594 . 0 0 "[ . 1 . 2]" 1
493 1 55 PHE QD 1 56 SER H . . 4.620 4.442 4.080 4.619 . 0 0 "[ . 1 . 2]" 1
494 1 78 VAL H 1 79 GLY H . . 4.750 4.331 4.031 4.467 . 0 0 "[ . 1 . 2]" 1
495 1 79 GLY H 1 80 ASN H . . 4.430 4.378 4.273 4.428 . 0 0 "[ . 1 . 2]" 1
496 1 78 VAL HA 1 79 GLY H . . 2.880 2.156 2.144 2.226 . 0 0 "[ . 1 . 2]" 1
497 1 77 THR MG 1 79 GLY H . . 4.340 4.039 3.362 4.327 . 0 0 "[ . 1 . 2]" 1
498 1 78 VAL MG2 1 79 GLY H . . 4.370 4.144 3.991 4.244 . 0 0 "[ . 1 . 2]" 1
499 1 78 VAL MG1 1 79 GLY H . . 3.760 2.864 2.489 3.373 . 0 0 "[ . 1 . 2]" 1
500 1 31 SER H 1 33 PHE H . . 4.150 3.856 3.578 4.161 0.011 19 0 "[ . 1 . 2]" 1
501 1 30 SER HB3 1 33 PHE H . . 4.270 2.321 1.893 3.847 . 0 0 "[ . 1 . 2]" 1
502 1 33 PHE H 1 81 LEU MD1 . . 4.250 3.948 3.505 4.255 0.005 3 0 "[ . 1 . 2]" 1
503 1 33 PHE H 1 34 VAL H . . 4.680 4.431 4.402 4.469 . 0 0 "[ . 1 . 2]" 1
504 1 30 SER HB2 1 33 PHE H . . 4.270 3.347 2.064 3.722 . 0 0 "[ . 1 . 2]" 1
505 1 33 PHE H 1 110 THR MG . . 4.740 4.437 3.946 4.740 . 19 0 "[ . 1 . 2]" 1
506 1 110 THR H 1 110 THR MG . . 3.480 2.507 2.301 2.694 . 0 0 "[ . 1 . 2]" 1
507 1 84 GLU H 1 110 THR H . . 4.800 4.593 4.080 4.797 . 0 0 "[ . 1 . 2]" 1
508 1 110 THR H 1 110 THR HG1 . . 4.070 2.710 1.899 3.276 . 0 0 "[ . 1 . 2]" 1
509 1 109 ALA HA 1 110 THR H . . 2.980 2.144 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
510 1 86 MET HA 1 110 THR H . . 3.890 3.750 3.373 3.895 0.005 20 0 "[ . 1 . 2]" 1
511 1 84 GLU HA 1 110 THR H . . 5.330 5.042 4.489 5.272 . 0 0 "[ . 1 . 2]" 1
512 1 109 ALA H 1 110 THR H . . 4.610 4.405 4.341 4.503 . 0 0 "[ . 1 . 2]" 1
513 1 108 VAL HA 1 109 ALA H . . 2.780 2.158 2.147 2.217 . 0 0 "[ . 1 . 2]" 1
514 1 108 VAL MG1 1 109 ALA H . . 3.370 2.386 2.105 2.655 . 0 0 "[ . 1 . 2]" 1
515 1 31 SER HB2 1 32 ARG H . . 4.800 4.036 3.066 4.559 . 0 0 "[ . 1 . 2]" 1
516 1 31 SER H 1 32 ARG H . . 3.350 2.409 2.226 2.629 . 0 0 "[ . 1 . 2]" 1
517 1 32 ARG H 1 33 PHE QD . . 4.150 4.066 3.775 4.155 0.005 15 0 "[ . 1 . 2]" 1
518 1 33 PHE HA 1 80 ASN H . . 4.770 4.116 3.898 4.415 . 0 0 "[ . 1 . 2]" 1
519 1 49 GLN H 1 50 THR H . . 3.470 2.559 2.300 2.954 . 0 0 "[ . 1 . 2]" 1
520 1 50 THR H 1 94 TYR H . . 4.290 4.108 3.800 4.289 . 0 0 "[ . 1 . 2]" 1
521 1 49 GLN HB2 1 50 THR H . . 4.130 2.341 2.048 2.573 . 0 0 "[ . 1 . 2]" 1
522 1 49 GLN HB3 1 50 THR H . . 4.130 3.334 2.911 3.611 . 0 0 "[ . 1 . 2]" 1
523 1 50 THR H 1 50 THR MG . . 3.990 2.516 2.251 2.743 . 0 0 "[ . 1 . 2]" 1
524 1 48 ILE MG 1 50 THR H . . 3.710 2.471 2.075 3.102 . 0 0 "[ . 1 . 2]" 1
525 1 50 THR H 1 95 ASN HA . . 5.120 4.877 4.628 5.120 . 14 0 "[ . 1 . 2]" 1
526 1 16 VAL HB 1 97 TRP HE1 . . 4.230 2.786 1.929 4.176 . 0 0 "[ . 1 . 2]" 1
527 1 45 LYS HB2 1 97 TRP HE1 . . 4.670 3.680 2.069 4.559 . 0 0 "[ . 1 . 2]" 1
528 1 97 TRP QB 1 97 TRP HE1 . . 4.400 4.382 4.370 4.409 0.009 9 0 "[ . 1 . 2]" 1
529 1 45 LYS HB3 1 97 TRP HE1 . . 4.670 3.087 2.044 4.321 . 0 0 "[ . 1 . 2]" 1
530 1 71 PRO HA 1 72 GLY H . . 2.400 2.341 2.157 2.405 0.005 19 0 "[ . 1 . 2]" 1
531 1 74 LEU H 1 75 GLN H . . 3.190 2.593 1.996 2.889 . 0 0 "[ . 1 . 2]" 1
532 1 73 SER HA 1 75 GLN H . . 4.030 3.742 3.501 4.003 . 0 0 "[ . 1 . 2]" 1
533 1 74 LEU HA 1 75 GLN H . . 3.570 3.021 2.837 3.339 . 0 0 "[ . 1 . 2]" 1
534 1 75 GLN H 1 75 GLN QG . . 3.890 2.835 2.436 3.669 . 0 0 "[ . 1 . 2]" 1
535 1 17 LEU HA 1 95 ASN HD21 . . 4.710 3.916 2.788 4.445 . 0 0 "[ . 1 . 2]" 1
536 1 87 TYR H 1 87 TYR QE . . 5.500 5.340 4.666 5.499 . 0 0 "[ . 1 . 2]" 1
537 1 87 TYR H 1 89 PHE QD . . 5.500 4.854 4.065 5.396 . 0 0 "[ . 1 . 2]" 1
538 1 87 TYR H 1 109 ALA HA . . 3.710 3.275 3.069 3.686 . 0 0 "[ . 1 . 2]" 1
539 1 86 MET HA 1 87 TYR H . . 3.200 2.175 2.141 2.221 . 0 0 "[ . 1 . 2]" 1
540 1 86 MET QB 1 87 TYR H . . 4.160 3.650 3.212 3.858 . 0 0 "[ . 1 . 2]" 1
541 1 87 TYR H 1 109 ALA MB . . 4.880 4.339 4.024 4.791 . 0 0 "[ . 1 . 2]" 1
542 1 35 ARG H 1 36 LEU H . . 4.760 4.578 4.467 4.604 . 0 0 "[ . 1 . 2]" 1
543 1 35 ARG HA 1 36 LEU H . . 3.180 2.236 2.160 2.264 . 0 0 "[ . 1 . 2]" 1
544 1 36 LEU H 1 77 THR HA . . 3.900 3.617 3.367 3.874 . 0 0 "[ . 1 . 2]" 1
545 1 36 LEU H 1 36 LEU HB2 . . 3.560 2.861 2.724 2.951 . 0 0 "[ . 1 . 2]" 1
546 1 36 LEU H 1 36 LEU HB3 . . 4.060 3.871 3.814 3.915 . 0 0 "[ . 1 . 2]" 1
547 1 35 ARG HG3 1 36 LEU H . . 4.100 2.921 2.501 3.327 . 0 0 "[ . 1 . 2]" 1
548 1 36 LEU H 1 36 LEU HG . . 4.160 2.845 2.516 3.027 . 0 0 "[ . 1 . 2]" 1
549 1 35 ARG HG2 1 36 LEU H . . 4.230 2.484 2.136 3.045 . 0 0 "[ . 1 . 2]" 1
550 1 36 LEU H 1 36 LEU MD1 . . 4.460 3.769 3.604 3.914 . 0 0 "[ . 1 . 2]" 1
551 1 17 LEU HA 1 95 ASN HD22 . . 4.710 2.909 2.077 4.569 . 0 0 "[ . 1 . 2]" 1
552 1 18 PRO HD3 1 95 ASN HD22 . . 4.500 2.389 2.040 2.897 . 0 0 "[ . 1 . 2]" 1
553 1 18 PRO HG3 1 95 ASN HD22 . . 4.720 4.040 1.952 4.752 0.032 14 0 "[ . 1 . 2]" 1
554 1 18 PRO HD3 1 95 ASN HD21 . . 4.500 2.520 1.905 3.118 . 0 0 "[ . 1 . 2]" 1
555 1 18 PRO HG3 1 95 ASN HD21 . . 4.720 3.464 2.328 4.129 . 0 0 "[ . 1 . 2]" 1
556 1 87 TYR H 1 89 PHE QE . . 4.320 3.717 2.438 4.319 . 0 0 "[ . 1 . 2]" 1
557 1 51 PHE H 1 68 THR H . . 4.390 4.149 3.796 4.395 0.005 19 0 "[ . 1 . 2]" 1
558 1 67 ASN HD21 1 68 THR H . . 5.180 4.988 4.672 5.205 0.025 5 0 "[ . 1 . 2]" 1
559 1 68 THR H 1 69 THR H . . 4.430 3.656 1.799 3.917 . 0 0 "[ . 1 . 2]" 1
560 1 67 ASN HA 1 68 THR H . . 3.070 2.169 2.142 2.186 . 0 0 "[ . 1 . 2]" 1
561 1 67 ASN HB2 1 68 THR H . . 4.560 3.840 3.651 4.302 . 0 0 "[ . 1 . 2]" 1
562 1 68 THR H 1 76 LEU MD1 . . 4.360 3.577 2.510 4.273 . 0 0 "[ . 1 . 2]" 1
563 1 50 THR HB 1 68 THR H . . 5.500 5.350 4.991 5.504 0.004 16 0 "[ . 1 . 2]" 1
564 1 29 VAL H 1 35 ARG H . . 5.120 4.801 4.277 5.052 . 0 0 "[ . 1 . 2]" 1
565 1 33 PHE QD 1 35 ARG H . . 4.490 3.062 2.765 3.808 . 0 0 "[ . 1 . 2]" 1
566 1 34 VAL HA 1 35 ARG H . . 3.160 2.155 2.141 2.239 . 0 0 "[ . 1 . 2]" 1
567 1 29 VAL HA 1 35 ARG H . . 4.180 3.229 2.746 4.058 . 0 0 "[ . 1 . 2]" 1
568 1 28 LEU QB 1 35 ARG H . . 4.060 3.145 2.277 3.860 . 0 0 "[ . 1 . 2]" 1
569 1 35 ARG H 1 35 ARG HG2 . . 4.530 4.387 4.150 4.560 0.030 10 0 "[ . 1 . 2]" 1
570 1 34 VAL MG2 1 35 ARG H . . 4.490 4.066 3.936 4.206 . 0 0 "[ . 1 . 2]" 1
571 1 35 ARG H 1 77 THR MG . . 4.720 3.672 2.960 4.632 . 0 0 "[ . 1 . 2]" 1
572 1 93 ALA H 1 100 GLY H . . 4.800 3.994 3.610 4.315 . 0 0 "[ . 1 . 2]" 1
573 1 92 VAL HA 1 93 ALA H . . 3.270 2.213 2.154 2.248 . 0 0 "[ . 1 . 2]" 1
574 1 21 PRO HG3 1 93 ALA H . . 5.250 5.076 4.630 5.251 0.001 9 0 "[ . 1 . 2]" 1
575 1 93 ALA H 1 93 ALA MB . . 3.580 2.287 2.182 2.349 . 0 0 "[ . 1 . 2]" 1
576 1 92 VAL MG2 1 93 ALA H . . 4.510 3.960 3.877 4.143 . 0 0 "[ . 1 . 2]" 1
577 1 92 VAL MG1 1 93 ALA H . . 3.850 2.117 1.919 2.438 . 0 0 "[ . 1 . 2]" 1
578 1 97 TRP H 1 98 GLY H . . 3.070 2.986 2.744 3.072 0.002 5 0 "[ . 1 . 2]" 1
579 1 32 ARG H 1 33 PHE H . . 3.000 1.964 1.794 2.150 . 0 0 "[ . 1 . 2]" 1
580 1 53 VAL H 1 54 PHE H . . 4.360 4.171 3.940 4.390 0.030 19 0 "[ . 1 . 2]" 1
581 1 81 LEU HB2 1 82 LYS H . . 4.030 3.541 3.037 4.040 0.010 20 0 "[ . 1 . 2]" 1
582 1 43 GLU HG2 1 44 ALA H . . 5.500 4.679 4.393 5.097 . 0 0 "[ . 1 . 2]" 1
583 1 43 GLU HG3 1 44 ALA H . . 5.500 5.335 5.119 5.510 0.010 15 0 "[ . 1 . 2]" 1
584 1 95 ASN H 1 98 GLY H . . 3.520 3.209 2.947 3.520 . 0 0 "[ . 1 . 2]" 1
585 1 19 SER H 1 41 PRO HB3 . . 4.100 3.695 3.025 4.106 0.006 15 0 "[ . 1 . 2]" 1
586 1 47 ASN H 1 96 GLU H . . 4.890 3.563 2.410 4.575 . 0 0 "[ . 1 . 2]" 1
587 1 66 LEU HB2 1 78 VAL MG2 . . 5.120 4.534 3.600 5.115 . 0 0 "[ . 1 . 2]" 1
588 1 66 LEU HB2 1 78 VAL MG1 . . 4.770 4.251 3.401 4.633 . 0 0 "[ . 1 . 2]" 1
589 1 66 LEU HB3 1 76 LEU MD2 . . 4.110 3.370 2.644 3.797 . 0 0 "[ . 1 . 2]" 1
590 1 55 PHE QE 1 66 LEU HB3 . . 4.360 2.417 2.007 2.721 . 0 0 "[ . 1 . 2]" 1
591 1 53 VAL HB 1 66 LEU HB3 . . 4.510 3.441 2.634 3.797 . 0 0 "[ . 1 . 2]" 1
592 1 38 TRP HH2 1 76 LEU HB2 . . 4.290 2.573 1.998 3.062 . 0 0 "[ . 1 . 2]" 1
593 1 53 VAL HB 1 66 LEU HB2 . . 5.500 5.164 4.157 5.502 0.002 19 0 "[ . 1 . 2]" 1
594 1 66 LEU HB2 1 67 ASN H . . 4.460 4.353 4.226 4.458 . 0 0 "[ . 1 . 2]" 1
595 1 36 LEU HB2 1 76 LEU H . . 4.970 3.835 3.362 4.237 . 0 0 "[ . 1 . 2]" 1
596 1 25 VAL H 1 106 ILE MD . . 5.060 4.562 4.298 4.947 . 0 0 "[ . 1 . 2]" 1
597 1 89 PHE H 1 106 ILE MD . . 5.260 3.965 3.534 4.382 . 0 0 "[ . 1 . 2]" 1
598 1 26 PRO HD2 1 106 ILE MD . . 3.910 3.849 3.636 3.919 0.009 7 0 "[ . 1 . 2]" 1
599 1 26 PRO HD3 1 106 ILE MD . . 3.590 2.376 2.144 2.491 . 0 0 "[ . 1 . 2]" 1
600 1 89 PHE QB 1 106 ILE MD . . 3.970 2.609 2.185 3.098 . 0 0 "[ . 1 . 2]" 1
601 1 106 ILE HB 1 106 ILE MD . . 3.260 2.202 2.122 2.372 . 0 0 "[ . 1 . 2]" 1
602 1 36 LEU MD1 1 106 ILE MD . . 3.940 3.222 2.750 3.590 . 0 0 "[ . 1 . 2]" 1
603 1 106 ILE H 1 106 ILE MD . . 4.330 3.879 3.722 4.047 . 0 0 "[ . 1 . 2]" 1
604 1 26 PRO HG2 1 106 ILE MD . . 4.960 4.668 4.459 4.878 . 0 0 "[ . 1 . 2]" 1
605 1 24 VAL HB 1 106 ILE MD . . 3.800 3.140 2.624 3.589 . 0 0 "[ . 1 . 2]" 1
606 1 36 LEU HB2 1 38 TRP HZ3 . . 3.760 2.228 1.999 2.574 . 0 0 "[ . 1 . 2]" 1
607 1 38 TRP HH2 1 76 LEU HB3 . . 4.290 2.126 1.996 2.385 . 0 0 "[ . 1 . 2]" 1
608 1 36 LEU HB3 1 38 TRP HZ3 . . 4.130 3.579 3.227 3.992 . 0 0 "[ . 1 . 2]" 1
609 1 27 VAL HB 1 28 LEU QB . . 4.890 3.779 3.336 4.865 . 0 0 "[ . 1 . 2]" 1
610 1 27 VAL MG1 1 28 LEU QB . . 4.880 4.303 2.234 4.780 . 0 0 "[ . 1 . 2]" 1
611 1 11 ILE HA 1 11 ILE MD . . 4.400 4.004 3.547 4.171 . 0 0 "[ . 1 . 2]" 1
612 1 11 ILE HB 1 11 ILE MD . . 3.510 2.238 2.091 2.446 . 0 0 "[ . 1 . 2]" 1
613 1 17 LEU MD1 1 98 GLY HA2 . . 4.590 4.396 4.074 4.594 0.004 2 0 "[ . 1 . 2]" 1
614 1 48 ILE MD 1 51 PHE QE . . 4.440 3.183 2.681 3.691 . 0 0 "[ . 1 . 2]" 1
615 1 48 ILE MD 1 51 PHE HZ . . 4.640 2.834 2.221 3.438 . 0 0 "[ . 1 . 2]" 1
616 1 44 ALA HA 1 48 ILE MD . . 3.660 3.406 3.102 3.659 . 0 0 "[ . 1 . 2]" 1
617 1 41 PRO HD2 1 48 ILE MD . . 4.600 3.080 2.680 3.572 . 0 0 "[ . 1 . 2]" 1
618 1 41 PRO HD3 1 48 ILE MD . . 4.600 3.474 3.154 3.749 . 0 0 "[ . 1 . 2]" 1
619 1 18 PRO HB2 1 48 ILE MD . . 3.990 3.280 2.777 3.832 . 0 0 "[ . 1 . 2]" 1
620 1 18 PRO HB3 1 48 ILE MD . . 3.990 2.925 2.453 3.372 . 0 0 "[ . 1 . 2]" 1
621 1 48 ILE HB 1 48 ILE MD . . 3.620 2.353 2.172 2.539 . 0 0 "[ . 1 . 2]" 1
622 1 41 PRO HG3 1 48 ILE MD . . 3.380 2.100 1.831 2.471 . 0 0 "[ . 1 . 2]" 1
623 1 48 ILE MD 1 93 ALA MB . . 3.260 2.421 1.959 2.978 . 0 0 "[ . 1 . 2]" 1
624 1 48 ILE MD 1 48 ILE MG . . 3.040 2.068 1.860 2.290 . 0 0 "[ . 1 . 2]" 1
625 1 18 PRO HA 1 48 ILE MD . . 5.140 4.741 4.309 5.135 . 0 0 "[ . 1 . 2]" 1
626 1 87 TYR HB2 1 89 PHE QE . . 3.920 2.124 1.998 2.526 . 0 0 "[ . 1 . 2]" 1
627 1 55 PHE HB2 1 89 PHE QD . . 5.290 4.221 3.857 4.519 . 0 0 "[ . 1 . 2]" 1
628 1 17 LEU HB2 1 100 GLY HA2 . . 4.380 3.198 2.834 3.523 . 0 0 "[ . 1 . 2]" 1
629 1 17 LEU HB3 1 100 GLY HA2 . . 4.550 2.117 2.001 2.390 . 0 0 "[ . 1 . 2]" 1
630 1 17 LEU HB2 1 100 GLY HA3 . . 4.380 3.580 2.927 4.278 . 0 0 "[ . 1 . 2]" 1
631 1 17 LEU HB3 1 100 GLY HA3 . . 4.550 2.146 1.999 2.633 . 0 0 "[ . 1 . 2]" 1
632 1 64 ARG QD 1 65 ALA H . . 4.250 3.674 2.837 4.261 0.011 20 0 "[ . 1 . 2]" 1
633 1 55 PHE HZ 1 64 ARG QD . . 4.230 3.330 2.504 4.106 . 0 0 "[ . 1 . 2]" 1
634 1 55 PHE QE 1 64 ARG QD . . 3.900 2.892 2.074 3.861 . 0 0 "[ . 1 . 2]" 1
635 1 64 ARG HA 1 64 ARG QD . . 3.800 3.410 2.243 3.805 0.005 8 0 "[ . 1 . 2]" 1
636 1 57 ARG HA 1 57 ARG QD . . 4.460 3.614 2.109 4.173 . 0 0 "[ . 1 . 2]" 1
637 1 57 ARG QB 1 57 ARG QD . . 3.250 2.160 2.043 2.541 . 0 0 "[ . 1 . 2]" 1
638 1 57 ARG QD 1 85 ALA MB . . 3.320 3.173 2.448 3.323 0.003 17 0 "[ . 1 . 2]" 1
639 1 43 GLU HA 1 45 LYS HE2 . . 4.830 4.003 2.968 4.833 0.003 15 0 "[ . 1 . 2]" 1
640 1 43 GLU HG2 1 45 LYS HE2 . . 5.500 4.378 3.168 5.406 . 0 0 "[ . 1 . 2]" 1
641 1 43 GLU HG3 1 45 LYS HE2 . . 5.500 4.932 3.885 5.507 0.007 16 0 "[ . 1 . 2]" 1
642 1 43 GLU HA 1 45 LYS HE3 . . 4.830 3.897 2.083 4.757 . 0 0 "[ . 1 . 2]" 1
643 1 82 LYS QE 1 82 LYS HG2 . . 3.730 2.387 2.123 2.899 . 0 0 "[ . 1 . 2]" 1
644 1 56 SER QB 1 60 ASP HB3 . . 4.730 3.444 2.052 4.588 . 0 0 "[ . 1 . 2]" 1
645 1 56 SER QB 1 60 ASP HB2 . . 4.730 3.779 2.677 4.713 . 0 0 "[ . 1 . 2]" 1
646 1 58 GLU QG 1 107 LYS QE . . 4.920 3.690 2.166 4.915 . 0 0 "[ . 1 . 2]" 1
647 1 107 LYS QE 1 107 LYS QG . . 3.240 2.187 2.019 2.456 . 0 0 "[ . 1 . 2]" 1
648 1 88 THR MG 1 107 LYS QE . . 4.290 3.818 3.243 4.279 . 0 0 "[ . 1 . 2]" 1
649 1 106 ILE HB 1 108 VAL MG2 . . 4.150 3.285 3.109 3.572 . 0 0 "[ . 1 . 2]" 1
650 1 50 THR MG 1 67 ASN HB2 . . 4.390 2.112 1.772 3.023 . 0 0 "[ . 1 . 2]" 1
651 1 50 THR MG 1 67 ASN HB3 . . 4.390 3.143 1.915 3.685 . 0 0 "[ . 1 . 2]" 1
652 1 67 ASN HB3 1 68 THR H . . 4.560 4.356 3.877 4.534 . 0 0 "[ . 1 . 2]" 1
653 1 52 THR HB 1 54 PHE QE . . 4.270 3.060 2.402 3.731 . 0 0 "[ . 1 . 2]" 1
654 1 52 THR HB 1 92 VAL HB . . 4.060 2.491 2.058 2.825 . 0 0 "[ . 1 . 2]" 1
655 1 52 THR HB 1 92 VAL MG2 . . 4.090 3.672 3.429 3.933 . 0 0 "[ . 1 . 2]" 1
656 1 52 THR HB 1 92 VAL MG1 . . 4.560 3.699 3.290 4.187 . 0 0 "[ . 1 . 2]" 1
657 1 11 ILE H 1 11 ILE HB . . 3.700 3.649 3.557 3.757 0.057 2 0 "[ . 1 . 2]" 1
658 1 84 GLU HG2 1 112 PRO HA . . 3.960 2.572 2.119 3.284 . 0 0 "[ . 1 . 2]" 1
659 1 84 GLU HA 1 84 GLU HG2 . . 3.940 2.614 2.250 3.109 . 0 0 "[ . 1 . 2]" 1
660 1 84 GLU HA 1 84 GLU HG3 . . 3.940 3.160 2.842 3.758 . 0 0 "[ . 1 . 2]" 1
661 1 84 GLU H 1 84 GLU HG3 . . 4.740 3.111 2.508 4.325 . 0 0 "[ . 1 . 2]" 1
662 1 63 GLU HA 1 63 GLU HG2 . . 4.060 3.352 2.223 3.643 . 0 0 "[ . 1 . 2]" 1
663 1 87 TYR HA 1 88 THR HB . . 5.030 4.745 4.611 4.982 . 0 0 "[ . 1 . 2]" 1
664 1 88 THR HB 1 107 LYS QG . . 4.820 4.517 4.079 4.825 0.005 14 0 "[ . 1 . 2]" 1
665 1 56 SER QB 1 63 GLU HG2 . . 4.410 3.863 2.346 4.401 . 0 0 "[ . 1 . 2]" 1
666 1 63 GLU HG3 1 64 ARG H . . 4.570 3.918 3.248 4.627 0.057 20 0 "[ . 1 . 2]" 1
667 1 63 GLU HA 1 63 GLU HG3 . . 4.060 3.236 2.163 4.185 0.125 13 0 "[ . 1 . 2]" 1
668 1 56 SER QB 1 63 GLU HG3 . . 4.410 3.099 1.989 4.234 . 0 0 "[ . 1 . 2]" 1
669 1 113 GLU H 1 113 GLU QG . . 4.190 3.242 1.929 4.044 . 0 0 "[ . 1 . 2]" 1
670 1 83 PRO HG3 1 113 GLU QG . . 3.760 2.813 2.023 3.422 . 0 0 "[ . 1 . 2]" 1
671 1 83 PRO HG2 1 113 GLU QG . . 4.490 3.851 2.769 4.492 0.002 18 0 "[ . 1 . 2]" 1
672 1 91 VAL HA 1 92 VAL HB . . 4.780 4.577 4.450 4.692 . 0 0 "[ . 1 . 2]" 1
673 1 92 VAL HB 1 93 ALA H . . 5.360 3.942 3.783 4.094 . 0 0 "[ . 1 . 2]" 1
674 1 54 PHE QE 1 92 VAL HB . . 3.880 3.267 2.537 3.822 . 0 0 "[ . 1 . 2]" 1
675 1 92 VAL HB 1 94 TYR QD . . 4.530 3.411 3.190 3.614 . 0 0 "[ . 1 . 2]" 1
676 1 34 VAL HB 1 89 PHE HZ . . 4.060 3.041 2.519 3.704 . 0 0 "[ . 1 . 2]" 1
677 1 34 VAL HB 1 78 VAL HB . . 4.380 3.444 3.121 3.807 . 0 0 "[ . 1 . 2]" 1
678 1 89 PHE QD 1 108 VAL HB . . 3.960 3.393 3.007 3.728 . 0 0 "[ . 1 . 2]" 1
679 1 89 PHE QE 1 108 VAL HB . . 3.360 3.032 2.784 3.348 . 0 0 "[ . 1 . 2]" 1
680 1 106 ILE MD 1 108 VAL HB . . 4.700 4.056 3.821 4.569 . 0 0 "[ . 1 . 2]" 1
681 1 19 SER HA 1 101 GLU QG . . 4.490 3.982 3.106 4.490 0.000 9 0 "[ . 1 . 2]" 1
682 1 101 GLU HA 1 101 GLU QG . . 3.610 2.422 2.195 2.919 . 0 0 "[ . 1 . 2]" 1
683 1 101 GLU H 1 101 GLU QG . . 4.050 3.454 2.737 4.060 0.010 19 0 "[ . 1 . 2]" 1
684 1 25 VAL HB 1 26 PRO HD2 . . 3.580 2.447 2.153 2.722 . 0 0 "[ . 1 . 2]" 1
685 1 25 VAL HB 1 26 PRO HD3 . . 4.270 3.827 3.584 4.051 . 0 0 "[ . 1 . 2]" 1
686 1 21 PRO HG3 1 91 VAL HB . . 4.290 3.086 2.283 3.799 . 0 0 "[ . 1 . 2]" 1
687 1 24 VAL MG2 1 91 VAL HB . . 4.240 2.371 1.975 2.763 . 0 0 "[ . 1 . 2]" 1
688 1 37 SER HB2 1 75 GLN QG . . 4.430 2.412 1.996 3.905 . 0 0 "[ . 1 . 2]" 1
689 1 27 VAL MG1 1 37 SER HB2 . . 3.590 2.503 1.897 3.593 0.003 2 0 "[ . 1 . 2]" 1
690 1 27 VAL HB 1 37 SER HB3 . . 4.710 4.009 1.994 4.748 0.038 19 0 "[ . 1 . 2]" 1
691 1 37 SER HB3 1 75 GLN QG . . 4.430 3.483 2.458 3.956 . 0 0 "[ . 1 . 2]" 1
692 1 27 VAL MG2 1 37 SER HB3 . . 3.590 2.818 1.829 3.620 0.030 7 0 "[ . 1 . 2]" 1
693 1 107 LYS HB3 1 107 LYS QE . . 4.600 3.601 2.379 4.011 . 0 0 "[ . 1 . 2]" 1
694 1 107 LYS H 1 107 LYS HB3 . . 4.110 3.630 3.539 3.781 . 0 0 "[ . 1 . 2]" 1
695 1 107 LYS HB2 1 108 VAL H . . 4.730 4.462 4.197 4.564 . 0 0 "[ . 1 . 2]" 1
696 1 111 GLN H 1 111 GLN HG2 . . 4.070 3.258 3.003 3.425 . 0 0 "[ . 1 . 2]" 1
697 1 111 GLN HG2 1 112 PRO HD3 . . 4.510 4.408 4.258 4.515 0.005 9 0 "[ . 1 . 2]" 1
698 1 111 GLN HG2 1 112 PRO HD2 . . 4.300 3.701 3.578 3.821 . 0 0 "[ . 1 . 2]" 1
699 1 29 VAL MG1 1 111 GLN HG2 . . 5.070 3.059 2.580 3.611 . 0 0 "[ . 1 . 2]" 1
700 1 31 SER HB2 1 111 GLN HG3 . . 5.500 5.293 4.462 5.503 0.003 5 0 "[ . 1 . 2]" 1
701 1 111 GLN HG3 1 112 PRO HD3 . . 5.500 5.500 5.456 5.534 0.034 9 0 "[ . 1 . 2]" 1
702 1 111 GLN HG3 1 112 PRO HD2 . . 4.840 4.716 4.642 4.806 . 0 0 "[ . 1 . 2]" 1
703 1 82 LYS H 1 82 LYS HB2 . . 4.070 2.778 2.205 3.173 . 0 0 "[ . 1 . 2]" 1
704 1 104 GLN H 1 104 GLN QG . . 4.060 3.810 2.618 4.064 0.004 15 0 "[ . 1 . 2]" 1
705 1 104 GLN HA 1 104 GLN QG . . 3.730 2.448 2.188 2.749 . 0 0 "[ . 1 . 2]" 1
706 1 104 GLN QG 1 105 PRO HD3 . . 4.330 3.485 3.189 4.056 . 0 0 "[ . 1 . 2]" 1
707 1 104 GLN QG 1 105 PRO HD2 . . 4.330 2.149 1.815 3.271 . 0 0 "[ . 1 . 2]" 1
708 1 111 GLN HA 1 111 GLN HG2 . . 3.910 2.536 2.436 2.620 . 0 0 "[ . 1 . 2]" 1
709 1 111 GLN HA 1 111 GLN HG3 . . 3.920 3.348 3.295 3.399 . 0 0 "[ . 1 . 2]" 1
710 1 56 SER QB 1 63 GLU HA . . 3.650 2.195 1.969 2.795 . 0 0 "[ . 1 . 2]" 1
711 1 83 PRO HB2 1 112 PRO HA . . 4.840 3.458 2.870 3.818 . 0 0 "[ . 1 . 2]" 1
712 1 49 GLN H 1 49 GLN HG2 . . 4.600 2.632 1.961 3.749 . 0 0 "[ . 1 . 2]" 1
713 1 49 GLN HA 1 49 GLN HG3 . . 4.080 3.602 2.676 3.807 . 0 0 "[ . 1 . 2]" 1
714 1 83 PRO HB3 1 112 PRO HA . . 4.840 4.505 3.954 4.846 0.006 9 0 "[ . 1 . 2]" 1
715 1 70 GLN HA 1 70 GLN QG . . 4.010 2.270 2.141 2.446 . 0 0 "[ . 1 . 2]" 1
716 1 70 GLN QG 1 71 PRO HD3 . . 4.000 3.365 3.079 3.998 . 0 0 "[ . 1 . 2]" 1
717 1 18 PRO HB3 1 44 ALA HA . . 4.290 2.211 1.998 2.634 . 0 0 "[ . 1 . 2]" 1
718 1 37 SER HA 1 75 GLN QG . . 4.450 2.442 1.985 2.922 . 0 0 "[ . 1 . 2]" 1
719 1 83 PRO HB3 1 113 GLU H . . 4.520 3.443 2.969 4.162 . 0 0 "[ . 1 . 2]" 1
720 1 75 GLN HB2 1 76 LEU H . . 4.280 4.128 3.880 4.279 . 0 0 "[ . 1 . 2]" 1
721 1 55 PHE QE 1 64 ARG HB2 . . 4.710 3.019 2.085 3.644 . 0 0 "[ . 1 . 2]" 1
722 1 55 PHE QE 1 64 ARG HB3 . . 4.710 3.322 2.869 3.766 . 0 0 "[ . 1 . 2]" 1
723 1 27 VAL HB 1 28 LEU H . . 4.100 3.730 2.420 4.101 0.001 10 0 "[ . 1 . 2]" 1
724 1 105 PRO HB3 1 106 ILE H . . 4.250 4.066 3.772 4.225 . 0 0 "[ . 1 . 2]" 1
725 1 112 PRO HB2 1 113 GLU H . . 4.600 3.850 3.269 4.123 . 0 0 "[ . 1 . 2]" 1
726 1 27 VAL HB 1 37 SER HB2 . . 4.710 4.053 1.977 4.826 0.116 18 0 "[ . 1 . 2]" 1
727 1 16 VAL HB 1 17 LEU MD1 . . 4.960 4.511 3.739 4.959 . 0 0 "[ . 1 . 2]" 1
728 1 86 MET HG2 1 109 ALA MB . . 5.020 4.795 4.314 5.023 0.003 13 0 "[ . 1 . 2]" 1
729 1 12 PRO QB 1 17 LEU MD2 . . 4.260 3.173 1.930 4.211 . 0 0 "[ . 1 . 2]" 1
730 1 86 MET HG3 1 107 LYS QE . . 4.710 3.882 2.369 4.716 0.006 3 0 "[ . 1 . 2]" 1
731 1 63 GLU HB2 1 64 ARG H . . 4.630 3.499 2.566 4.470 . 0 0 "[ . 1 . 2]" 1
732 1 92 VAL MG1 1 99 PRO HB3 . . 4.200 2.762 2.072 3.263 . 0 0 "[ . 1 . 2]" 1
733 1 73 SER HB2 1 74 LEU H . . 4.330 4.120 3.216 4.373 0.043 16 0 "[ . 1 . 2]" 1
734 1 70 GLN HB3 1 73 SER HB2 . . 4.630 3.477 2.776 4.638 0.008 5 0 "[ . 1 . 2]" 1
735 1 70 GLN HB2 1 73 SER HB2 . . 4.630 2.667 1.998 4.565 . 0 0 "[ . 1 . 2]" 1
736 1 70 GLN QG 1 73 SER HB2 . . 5.500 4.476 3.759 5.354 . 0 0 "[ . 1 . 2]" 1
737 1 70 GLN QG 1 73 SER HB3 . . 5.500 4.738 4.004 5.226 . 0 0 "[ . 1 . 2]" 1
738 1 70 GLN HB3 1 73 SER HB3 . . 4.630 4.037 2.967 4.622 . 0 0 "[ . 1 . 2]" 1
739 1 70 GLN HB2 1 73 SER HB3 . . 4.630 2.965 2.076 4.140 . 0 0 "[ . 1 . 2]" 1
740 1 24 VAL MG2 1 103 SER HB2 . . 4.020 2.972 2.398 3.737 . 0 0 "[ . 1 . 2]" 1
741 1 86 MET HG2 1 107 LYS QG . . 4.770 3.731 2.865 4.658 . 0 0 "[ . 1 . 2]" 1
742 1 86 MET HG2 1 107 LYS QE . . 4.710 3.192 2.215 4.419 . 0 0 "[ . 1 . 2]" 1
743 1 57 ARG QB 1 87 TYR QE . . 4.350 2.495 2.039 3.226 . 0 0 "[ . 1 . 2]" 1
744 1 92 VAL MG2 1 102 SER HB2 . . 4.360 3.088 2.244 4.072 . 0 0 "[ . 1 . 2]" 1
745 1 31 SER HB2 1 113 GLU HA . . 4.390 3.764 2.541 4.332 . 0 0 "[ . 1 . 2]" 1
746 1 49 GLN H 1 49 GLN HB2 . . 4.000 2.444 2.300 2.649 . 0 0 "[ . 1 . 2]" 1
747 1 31 SER HB3 1 32 ARG H . . 4.800 4.106 3.715 4.435 . 0 0 "[ . 1 . 2]" 1
748 1 31 SER HB3 1 111 GLN HG3 . . 5.500 4.518 3.936 5.517 0.017 9 0 "[ . 1 . 2]" 1
749 1 40 PRO HB2 1 51 PHE HZ . . 4.500 4.433 4.151 4.518 0.018 15 0 "[ . 1 . 2]" 1
750 1 40 PRO HB2 1 74 LEU HG . . 4.860 4.439 3.694 5.036 0.176 16 0 "[ . 1 . 2]" 1
751 1 40 PRO HB3 1 51 PHE HZ . . 4.500 3.877 3.590 4.177 . 0 0 "[ . 1 . 2]" 1
752 1 40 PRO HB3 1 74 LEU HG . . 4.860 2.870 2.122 3.432 . 0 0 "[ . 1 . 2]" 1
753 1 78 VAL HB 1 89 PHE QE . . 4.270 2.307 1.999 2.784 . 0 0 "[ . 1 . 2]" 1
754 1 30 SER HB2 1 33 PHE QE . . 4.610 3.174 2.675 4.242 . 0 0 "[ . 1 . 2]" 1
755 1 30 SER HB3 1 33 PHE QE . . 4.610 3.573 2.944 3.891 . 0 0 "[ . 1 . 2]" 1
756 1 45 LYS HB2 1 97 TRP HD1 . . 4.880 3.513 2.748 4.242 . 0 0 "[ . 1 . 2]" 1
757 1 26 PRO HB3 1 34 VAL MG1 . . 4.090 3.241 2.829 3.643 . 0 0 "[ . 1 . 2]" 1
758 1 27 VAL HA 1 27 VAL MG1 . . 3.510 2.387 2.094 3.197 . 0 0 "[ . 1 . 2]" 1
759 1 77 THR MG 1 78 VAL HA . . 4.270 4.004 3.591 4.230 . 0 0 "[ . 1 . 2]" 1
760 1 84 GLU HB2 1 112 PRO HA . . 5.070 4.599 3.993 4.996 . 0 0 "[ . 1 . 2]" 1
761 1 84 GLU HB3 1 112 PRO HA . . 5.070 4.817 4.289 5.069 . 0 0 "[ . 1 . 2]" 1
762 1 21 PRO HG3 1 92 VAL HA . . 5.250 4.429 3.788 4.873 . 0 0 "[ . 1 . 2]" 1
763 1 21 PRO HG3 1 93 ALA MB . . 4.660 4.465 4.138 4.671 0.011 19 0 "[ . 1 . 2]" 1
764 1 21 PRO HG3 1 51 PHE QE . . 4.090 3.859 3.265 4.103 0.013 15 0 "[ . 1 . 2]" 1
765 1 107 LYS H 1 107 LYS QD . . 5.030 4.465 4.141 4.909 . 0 0 "[ . 1 . 2]" 1
766 1 107 LYS HA 1 107 LYS QD . . 4.070 3.742 2.509 4.065 . 0 0 "[ . 1 . 2]" 1
767 1 88 THR HA 1 107 LYS QD . . 5.440 4.867 2.859 5.423 . 0 0 "[ . 1 . 2]" 1
768 1 86 MET HG2 1 107 LYS QD . . 4.170 3.091 1.945 4.012 . 0 0 "[ . 1 . 2]" 1
769 1 82 LYS H 1 82 LYS HD3 . . 5.500 4.794 4.266 5.103 . 0 0 "[ . 1 . 2]" 1
770 1 45 LYS HA 1 45 LYS HD2 . . 4.620 3.814 3.118 4.435 . 0 0 "[ . 1 . 2]" 1
771 1 45 LYS HA 1 45 LYS HD3 . . 4.620 3.275 2.216 4.652 0.032 3 0 "[ . 1 . 2]" 1
772 1 108 VAL HA 1 108 VAL MG1 . . 3.370 2.336 2.218 2.425 . 0 0 "[ . 1 . 2]" 1
773 1 108 VAL HA 1 108 VAL MG2 . . 3.620 2.409 2.289 2.484 . 0 0 "[ . 1 . 2]" 1
774 1 94 TYR QD 1 99 PRO HA . . 4.710 3.707 3.513 3.842 . 0 0 "[ . 1 . 2]" 1
775 1 16 VAL HA 1 45 LYS HD3 . . 4.290 3.505 2.330 4.288 . 0 0 "[ . 1 . 2]" 1
776 1 41 PRO HG2 1 93 ALA MB . . 4.720 4.190 3.858 4.572 . 0 0 "[ . 1 . 2]" 1
777 1 29 VAL HA 1 34 VAL HA . . 3.830 2.411 2.135 2.937 . 0 0 "[ . 1 . 2]" 1
778 1 95 ASN H 1 99 PRO HA . . 4.470 3.999 3.584 4.438 . 0 0 "[ . 1 . 2]" 1
779 1 94 TYR HA 1 99 PRO HA . . 3.810 2.731 2.365 3.127 . 0 0 "[ . 1 . 2]" 1
780 1 16 VAL HA 1 45 LYS HD2 . . 4.290 3.201 1.997 4.177 . 0 0 "[ . 1 . 2]" 1
781 1 41 PRO HG2 1 44 ALA MB . . 4.750 2.837 2.195 3.326 . 0 0 "[ . 1 . 2]" 1
782 1 50 THR HA 1 51 PHE QD . . 4.510 3.110 2.541 3.460 . 0 0 "[ . 1 . 2]" 1
783 1 109 ALA MB 1 110 THR HA . . 4.660 4.582 4.467 4.636 . 0 0 "[ . 1 . 2]" 1
784 1 32 ARG H 1 32 ARG HG2 . . 4.740 4.587 3.839 4.776 0.036 5 0 "[ . 1 . 2]" 1
785 1 32 ARG H 1 32 ARG HG3 . . 4.740 4.478 2.677 4.805 0.065 15 0 "[ . 1 . 2]" 1
786 1 110 THR HA 1 111 GLN HG2 . . 4.490 4.414 4.218 4.496 0.006 6 0 "[ . 1 . 2]" 1
787 1 110 THR HA 1 111 GLN HG3 . . 4.490 3.777 3.578 3.959 . 0 0 "[ . 1 . 2]" 1
788 1 40 PRO HG2 1 74 LEU MD1 . . 4.790 4.316 3.401 4.793 0.003 8 0 "[ . 1 . 2]" 1
789 1 40 PRO HG3 1 74 LEU MD1 . . 4.790 3.423 2.083 4.258 . 0 0 "[ . 1 . 2]" 1
790 1 40 PRO HG3 1 74 LEU MD2 . . 4.790 2.757 1.977 3.661 . 0 0 "[ . 1 . 2]" 1
791 1 88 THR MG 1 105 PRO HG3 . . 4.580 4.334 3.928 4.585 0.005 6 0 "[ . 1 . 2]" 1
792 1 88 THR MG 1 105 PRO HG2 . . 4.580 4.251 3.776 4.573 . 0 0 "[ . 1 . 2]" 1
793 1 18 PRO HG3 1 99 PRO HA . . 5.500 5.126 4.377 5.497 . 0 0 "[ . 1 . 2]" 1
794 1 64 ARG QG 1 65 ALA H . . 4.230 3.871 3.380 4.213 . 0 0 "[ . 1 . 2]" 1
795 1 22 ARG HG3 1 39 ARG H . . 4.530 3.818 2.728 4.533 0.003 5 0 "[ . 1 . 2]" 1
796 1 18 PRO HG3 1 95 ASN HB3 . . 4.780 2.681 2.034 4.781 0.001 10 0 "[ . 1 . 2]" 1
797 1 18 PRO HG3 1 44 ALA HA . . 5.250 4.255 3.871 4.863 . 0 0 "[ . 1 . 2]" 1
798 1 18 PRO HG3 1 95 ASN HB2 . . 4.780 4.204 3.658 4.626 . 0 0 "[ . 1 . 2]" 1
799 1 66 LEU HG 1 76 LEU MD2 . . 4.560 3.102 2.309 4.571 0.011 14 0 "[ . 1 . 2]" 1
800 1 66 LEU H 1 66 LEU HG . . 4.590 4.494 4.352 4.638 0.048 14 0 "[ . 1 . 2]" 1
801 1 55 PHE QE 1 66 LEU HG . . 5.010 4.804 4.341 5.027 0.017 20 0 "[ . 1 . 2]" 1
802 1 28 LEU HG 1 29 VAL H . . 4.940 3.427 1.887 4.962 0.022 18 0 "[ . 1 . 2]" 1
803 1 35 ARG HG3 1 77 THR HA . . 4.540 3.400 2.877 4.260 . 0 0 "[ . 1 . 2]" 1
804 1 26 PRO HG2 1 108 VAL MG2 . . 3.750 3.634 3.240 3.757 0.007 15 0 "[ . 1 . 2]" 1
805 1 12 PRO QG 1 97 TRP QB . . 4.540 3.449 2.319 4.539 . 0 0 "[ . 1 . 2]" 1
806 1 12 PRO QG 1 17 LEU MD2 . . 4.510 2.655 1.816 4.223 . 0 0 "[ . 1 . 2]" 1
807 1 26 PRO HG3 1 108 VAL MG2 . . 3.500 2.162 1.907 2.357 . 0 0 "[ . 1 . 2]" 1
808 1 26 PRO HG3 1 106 ILE MD . . 3.910 3.547 3.182 3.832 . 0 0 "[ . 1 . 2]" 1
809 1 66 LEU HA 1 66 LEU HG . . 4.020 2.998 2.523 3.258 . 0 0 "[ . 1 . 2]" 1
810 1 48 ILE HA 1 50 THR H . . 4.720 4.374 4.045 4.692 . 0 0 "[ . 1 . 2]" 1
811 1 48 ILE HA 1 48 ILE MD . . 3.920 3.815 3.675 3.875 . 0 0 "[ . 1 . 2]" 1
812 1 57 ARG H 1 57 ARG HG3 . . 4.770 4.457 4.266 4.553 . 0 0 "[ . 1 . 2]" 1
813 1 57 ARG HA 1 57 ARG HG3 . . 4.000 2.596 2.268 3.475 . 0 0 "[ . 1 . 2]" 1
814 1 57 ARG HA 1 57 ARG HG2 . . 4.000 3.303 2.182 3.861 . 0 0 "[ . 1 . 2]" 1
815 1 96 GLU HA 1 96 GLU HG3 . . 3.750 2.968 2.434 3.749 . 0 0 "[ . 1 . 2]" 1
816 1 96 GLU HA 1 96 GLU HG2 . . 3.750 3.043 2.220 3.752 0.002 16 0 "[ . 1 . 2]" 1
817 1 17 LEU H 1 17 LEU HG . . 4.130 4.078 3.892 4.183 0.053 14 0 "[ . 1 . 2]" 1
818 1 36 LEU HG 1 37 SER H . . 5.060 5.017 4.925 5.071 0.011 10 0 "[ . 1 . 2]" 1
819 1 11 ILE HG13 1 11 ILE MG . . 3.570 3.028 2.643 3.193 . 0 0 "[ . 1 . 2]" 1
820 1 53 VAL H 1 76 LEU MD2 . . 4.290 3.657 3.086 4.283 . 0 0 "[ . 1 . 2]" 1
821 1 68 THR H 1 76 LEU MD2 . . 4.070 2.727 1.977 3.637 . 0 0 "[ . 1 . 2]" 1
822 1 38 TRP HH2 1 76 LEU MD2 . . 4.070 3.063 2.771 3.397 . 0 0 "[ . 1 . 2]" 1
823 1 68 THR HB 1 76 LEU MD2 . . 4.510 4.268 3.324 4.508 . 0 0 "[ . 1 . 2]" 1
824 1 53 VAL HB 1 76 LEU MD2 . . 3.720 2.388 1.897 2.925 . 0 0 "[ . 1 . 2]" 1
825 1 76 LEU MD2 1 78 VAL MG2 . . 3.480 2.901 2.242 3.420 . 0 0 "[ . 1 . 2]" 1
826 1 89 PHE QB 1 106 ILE HG13 . . 3.960 2.646 2.351 3.065 . 0 0 "[ . 1 . 2]" 1
827 1 89 PHE QB 1 106 ILE HG12 . . 4.090 3.014 2.661 3.375 . 0 0 "[ . 1 . 2]" 1
828 1 74 LEU H 1 74 LEU MD1 . . 4.190 3.419 1.898 4.089 . 0 0 "[ . 1 . 2]" 1
829 1 40 PRO HD2 1 74 LEU MD1 . . 5.120 4.295 3.186 5.050 . 0 0 "[ . 1 . 2]" 1
830 1 74 LEU HA 1 74 LEU MD1 . . 4.050 2.475 1.942 3.916 . 0 0 "[ . 1 . 2]" 1
831 1 81 LEU H 1 81 LEU MD1 . . 3.980 3.809 3.607 3.971 . 0 0 "[ . 1 . 2]" 1
832 1 81 LEU MD1 1 87 TYR QE . . 5.370 4.723 3.810 5.180 . 0 0 "[ . 1 . 2]" 1
833 1 81 LEU MD1 1 89 PHE QD . . 5.500 4.700 4.328 5.170 . 0 0 "[ . 1 . 2]" 1
834 1 81 LEU MD1 1 89 PHE QE . . 4.040 2.849 2.347 3.425 . 0 0 "[ . 1 . 2]" 1
835 1 81 LEU MD1 1 89 PHE HZ . . 3.700 2.169 1.792 2.532 . 0 0 "[ . 1 . 2]" 1
836 1 81 LEU HA 1 81 LEU MD1 . . 4.230 3.952 3.875 4.002 . 0 0 "[ . 1 . 2]" 1
837 1 78 VAL HB 1 81 LEU MD1 . . 4.360 3.065 2.752 3.334 . 0 0 "[ . 1 . 2]" 1
838 1 34 VAL HB 1 81 LEU MD1 . . 3.990 2.720 2.517 2.912 . 0 0 "[ . 1 . 2]" 1
839 1 36 LEU HA 1 36 LEU MD1 . . 4.610 3.985 3.949 4.026 . 0 0 "[ . 1 . 2]" 1
840 1 36 LEU MD1 1 89 PHE QD . . 3.770 2.294 1.938 2.728 . 0 0 "[ . 1 . 2]" 1
841 1 36 LEU MD1 1 89 PHE QE . . 4.400 3.555 3.016 3.951 . 0 0 "[ . 1 . 2]" 1
842 1 36 LEU MD1 1 38 TRP HE3 . . 4.650 4.259 3.902 4.487 . 0 0 "[ . 1 . 2]" 1
843 1 36 LEU MD1 1 38 TRP HZ3 . . 4.440 3.264 2.842 3.925 . 0 0 "[ . 1 . 2]" 1
844 1 36 LEU MD1 1 89 PHE QB . . 3.600 2.145 1.900 2.481 . 0 0 "[ . 1 . 2]" 1
845 1 36 LEU HB2 1 36 LEU MD1 . . 3.480 2.069 1.986 2.210 . 0 0 "[ . 1 . 2]" 1
846 1 36 LEU HB3 1 36 LEU MD1 . . 3.590 2.629 2.474 2.676 . 0 0 "[ . 1 . 2]" 1
847 1 58 GLU HA 1 58 GLU QG . . 3.530 2.655 2.116 3.484 . 0 0 "[ . 1 . 2]" 1
848 1 45 LYS HA 1 45 LYS HG3 . . 4.240 3.226 2.157 3.922 . 0 0 "[ . 1 . 2]" 1
849 1 107 LYS QG 1 108 VAL H . . 4.220 4.043 3.756 4.225 0.005 14 0 "[ . 1 . 2]" 1
850 1 86 MET HG3 1 107 LYS QG . . 4.770 3.774 2.655 4.614 . 0 0 "[ . 1 . 2]" 1
851 1 28 LEU QB 1 28 LEU MD1 . . 3.140 2.139 1.958 2.404 . 0 0 "[ . 1 . 2]" 1
852 1 17 LEU HA 1 17 LEU MD2 . . 4.410 3.051 2.765 3.385 . 0 0 "[ . 1 . 2]" 1
853 1 17 LEU MD2 1 18 PRO HD2 . . 4.570 4.364 4.183 4.576 0.006 10 0 "[ . 1 . 2]" 1
854 1 16 VAL HA 1 17 LEU MD2 . . 4.710 4.296 3.626 4.684 . 0 0 "[ . 1 . 2]" 1
855 1 17 LEU MD2 1 18 PRO HD3 . . 5.500 4.899 4.632 5.220 . 0 0 "[ . 1 . 2]" 1
856 1 82 LYS QE 1 82 LYS HG3 . . 3.730 2.697 2.150 3.392 . 0 0 "[ . 1 . 2]" 1
857 1 110 THR MG 1 111 GLN H . . 4.120 3.248 3.046 3.498 . 0 0 "[ . 1 . 2]" 1
858 1 87 TYR QE 1 110 THR MG . . 4.350 3.665 2.651 4.345 . 0 0 "[ . 1 . 2]" 1
859 1 83 PRO HA 1 110 THR MG . . 4.540 3.191 2.651 3.529 . 0 0 "[ . 1 . 2]" 1
860 1 110 THR HA 1 110 THR MG . . 3.460 2.210 2.121 2.275 . 0 0 "[ . 1 . 2]" 1
861 1 110 THR MG 1 111 GLN HG3 . . 4.830 4.646 4.284 4.833 0.003 8 0 "[ . 1 . 2]" 1
862 1 81 LEU MD1 1 110 THR MG . . 3.270 2.766 2.486 3.050 . 0 0 "[ . 1 . 2]" 1
863 1 76 LEU HA 1 76 LEU MD1 . . 3.210 2.137 1.977 2.408 . 0 0 "[ . 1 . 2]" 1
864 1 76 LEU MD1 1 77 THR H . . 3.480 2.083 1.863 2.583 . 0 0 "[ . 1 . 2]" 1
865 1 28 LEU MD2 1 29 VAL H . . 3.550 3.282 2.658 3.574 0.024 4 0 "[ . 1 . 2]" 1
866 1 28 LEU QB 1 28 LEU MD2 . . 3.140 2.127 1.957 2.377 . 0 0 "[ . 1 . 2]" 1
867 1 31 SER HB3 1 113 GLU HA . . 4.390 3.719 2.365 4.273 . 0 0 "[ . 1 . 2]" 1
868 1 113 GLU HA 1 113 GLU QG . . 3.740 2.736 2.114 3.470 . 0 0 "[ . 1 . 2]" 1
869 1 84 GLU HA 1 110 THR HG1 . . 4.480 3.488 3.092 4.364 . 0 0 "[ . 1 . 2]" 1
870 1 83 PRO HA 1 84 GLU HA . . 4.490 4.443 4.421 4.478 . 0 0 "[ . 1 . 2]" 1
871 1 68 THR H 1 69 THR MG . . 3.670 3.364 2.799 3.645 . 0 0 "[ . 1 . 2]" 1
872 1 51 PHE QD 1 69 THR MG . . 3.800 3.481 3.072 3.802 0.002 7 0 "[ . 1 . 2]" 1
873 1 38 TRP HZ2 1 69 THR MG . . 3.440 2.757 1.982 3.423 . 0 0 "[ . 1 . 2]" 1
874 1 38 TRP HH2 1 69 THR MG . . 3.500 3.075 2.390 3.476 . 0 0 "[ . 1 . 2]" 1
875 1 51 PHE HB2 1 69 THR MG . . 4.080 2.435 1.974 2.860 . 0 0 "[ . 1 . 2]" 1
876 1 69 THR MG 1 76 LEU MD1 . . 3.350 2.787 2.016 3.264 . 0 0 "[ . 1 . 2]" 1
877 1 69 THR MG 1 76 LEU MD2 . . 3.510 2.733 1.998 3.405 . 0 0 "[ . 1 . 2]" 1
878 1 51 PHE HB3 1 69 THR MG . . 4.080 3.768 3.213 4.084 0.004 16 0 "[ . 1 . 2]" 1
879 1 38 TRP HD1 1 74 LEU MD2 . . 5.080 4.277 2.323 5.088 0.008 5 0 "[ . 1 . 2]" 1
880 1 40 PRO HG2 1 74 LEU MD2 . . 4.790 3.939 3.497 4.732 . 0 0 "[ . 1 . 2]" 1
881 1 49 GLN HA 1 49 GLN HG2 . . 4.080 3.199 2.858 3.731 . 0 0 "[ . 1 . 2]" 1
882 1 54 PHE QE 1 65 ALA MB . . 3.580 2.691 2.127 3.169 . 0 0 "[ . 1 . 2]" 1
883 1 54 PHE QD 1 65 ALA MB . . 3.720 3.084 2.259 3.682 . 0 0 "[ . 1 . 2]" 1
884 1 54 PHE HA 1 65 ALA MB . . 4.220 3.914 2.862 4.222 0.002 8 0 "[ . 1 . 2]" 1
885 1 64 ARG HA 1 65 ALA MB . . 4.130 3.791 3.710 3.875 . 0 0 "[ . 1 . 2]" 1
886 1 40 PRO HD2 1 74 LEU MD2 . . 5.120 3.882 3.210 4.931 . 0 0 "[ . 1 . 2]" 1
887 1 40 PRO HD3 1 74 LEU MD2 . . 4.440 2.552 1.959 3.637 . 0 0 "[ . 1 . 2]" 1
888 1 74 LEU HA 1 74 LEU MD2 . . 4.050 2.969 2.440 3.617 . 0 0 "[ . 1 . 2]" 1
889 1 27 VAL H 1 36 LEU MD2 . . 4.230 3.744 3.359 4.004 . 0 0 "[ . 1 . 2]" 1
890 1 36 LEU MD2 1 89 PHE QD . . 4.150 3.646 3.396 3.950 . 0 0 "[ . 1 . 2]" 1
891 1 36 LEU MD2 1 89 PHE QE . . 4.800 4.404 4.182 4.765 . 0 0 "[ . 1 . 2]" 1
892 1 36 LEU HA 1 36 LEU MD2 . . 3.620 2.518 2.297 2.710 . 0 0 "[ . 1 . 2]" 1
893 1 24 VAL HB 1 36 LEU MD2 . . 4.970 4.605 4.004 4.967 . 0 0 "[ . 1 . 2]" 1
894 1 36 LEU MD2 1 108 VAL HB . . 5.260 4.180 3.847 4.602 . 0 0 "[ . 1 . 2]" 1
895 1 36 LEU MD2 1 89 PHE QB . . 4.030 2.943 2.638 3.354 . 0 0 "[ . 1 . 2]" 1
896 1 26 PRO HB2 1 36 LEU MD2 . . 4.140 3.717 2.969 4.144 0.004 18 0 "[ . 1 . 2]" 1
897 1 26 PRO HB3 1 36 LEU MD2 . . 4.140 2.631 1.896 3.054 . 0 0 "[ . 1 . 2]" 1
898 1 45 LYS HA 1 45 LYS HG2 . . 4.240 3.149 2.584 3.608 . 0 0 "[ . 1 . 2]" 1
899 1 38 TRP HZ3 1 53 VAL MG2 . . 4.040 3.335 2.599 4.026 . 0 0 "[ . 1 . 2]" 1
900 1 53 VAL MG2 1 91 VAL HA . . 4.370 2.626 2.141 3.306 . 0 0 "[ . 1 . 2]" 1
901 1 36 LEU HB2 1 53 VAL MG2 . . 4.670 4.200 3.863 4.604 . 0 0 "[ . 1 . 2]" 1
902 1 53 VAL MG2 1 76 LEU HG . . 4.110 3.687 3.043 4.073 . 0 0 "[ . 1 . 2]" 1
903 1 53 VAL MG2 1 91 VAL MG2 . . 3.220 2.281 1.892 2.878 . 0 0 "[ . 1 . 2]" 1
904 1 52 THR MG 1 54 PHE HZ . . 4.090 2.726 2.120 3.164 . 0 0 "[ . 1 . 2]" 1
905 1 52 THR MG 1 54 PHE QE . . 3.960 2.397 1.953 3.126 . 0 0 "[ . 1 . 2]" 1
906 1 52 THR MG 1 54 PHE QD . . 4.350 3.185 2.551 3.727 . 0 0 "[ . 1 . 2]" 1
907 1 52 THR MG 1 54 PHE HA . . 4.650 4.209 4.004 4.520 . 0 0 "[ . 1 . 2]" 1
908 1 52 THR MG 1 65 ALA HA . . 4.060 3.508 3.153 3.839 . 0 0 "[ . 1 . 2]" 1
909 1 52 THR MG 1 92 VAL HB . . 4.330 3.820 3.279 4.176 . 0 0 "[ . 1 . 2]" 1
910 1 52 THR MG 1 65 ALA MB . . 3.050 2.708 1.974 3.042 . 0 0 "[ . 1 . 2]" 1
911 1 62 ARG HA 1 62 ARG QG . . 3.740 2.762 2.229 3.414 . 0 0 "[ . 1 . 2]" 1
912 1 76 LEU HA 1 76 LEU HG . . 4.210 3.329 3.054 3.525 . 0 0 "[ . 1 . 2]" 1
913 1 76 LEU HA 1 77 THR HB . . 4.860 4.686 4.500 4.823 . 0 0 "[ . 1 . 2]" 1
914 1 76 LEU HA 1 76 LEU MD2 . . 4.560 3.860 3.718 3.963 . 0 0 "[ . 1 . 2]" 1
915 1 51 PHE QE 1 93 ALA MB . . 3.360 2.642 2.146 3.362 0.002 15 0 "[ . 1 . 2]" 1
916 1 51 PHE HA 1 93 ALA MB . . 4.800 4.509 4.225 4.796 . 0 0 "[ . 1 . 2]" 1
917 1 92 VAL HA 1 93 ALA MB . . 4.160 3.924 3.862 3.981 . 0 0 "[ . 1 . 2]" 1
918 1 18 PRO HB2 1 93 ALA MB . . 3.980 2.558 2.286 2.848 . 0 0 "[ . 1 . 2]" 1
919 1 18 PRO HB3 1 93 ALA MB . . 3.980 3.474 3.136 3.820 . 0 0 "[ . 1 . 2]" 1
920 1 18 PRO HG3 1 93 ALA MB . . 3.460 2.643 2.262 3.058 . 0 0 "[ . 1 . 2]" 1
921 1 41 PRO HG3 1 93 ALA MB . . 3.900 2.792 2.401 3.128 . 0 0 "[ . 1 . 2]" 1
922 1 48 ILE MG 1 93 ALA MB . . 3.460 3.212 2.783 3.462 0.002 16 0 "[ . 1 . 2]" 1
923 1 91 VAL MG1 1 93 ALA MB . . 4.510 4.222 4.070 4.371 . 0 0 "[ . 1 . 2]" 1
924 1 18 PRO HD3 1 93 ALA MB . . 4.900 4.525 4.225 4.895 . 0 0 "[ . 1 . 2]" 1
925 1 85 ALA MB 1 110 THR HG1 . . 3.980 3.520 2.896 3.982 0.002 19 0 "[ . 1 . 2]" 1
926 1 85 ALA MB 1 86 MET QB . . 4.510 4.385 4.169 4.500 . 0 0 "[ . 1 . 2]" 1
927 1 85 ALA MB 1 110 THR H . . 4.530 4.364 4.050 4.532 0.002 20 0 "[ . 1 . 2]" 1
928 1 82 LYS H 1 85 ALA MB . . 4.770 3.977 3.641 4.170 . 0 0 "[ . 1 . 2]" 1
929 1 85 ALA H 1 85 ALA MB . . 3.220 2.674 2.557 2.783 . 0 0 "[ . 1 . 2]" 1
930 1 85 ALA MB 1 87 TYR QE . . 3.400 2.056 1.786 2.673 . 0 0 "[ . 1 . 2]" 1
931 1 84 GLU HA 1 85 ALA MB . . 4.690 4.453 4.360 4.566 . 0 0 "[ . 1 . 2]" 1
932 1 82 LYS QE 1 85 ALA MB . . 3.990 3.653 2.882 3.998 0.008 9 0 "[ . 1 . 2]" 1
933 1 64 ARG HA 1 64 ARG QG . . 3.210 2.400 2.151 2.764 . 0 0 "[ . 1 . 2]" 1
934 1 22 ARG HA 1 23 ASP HA . . 4.310 4.303 4.294 4.318 0.008 9 0 "[ . 1 . 2]" 1
935 1 23 ASP HA 1 24 VAL MG2 . . 4.680 3.784 3.524 3.957 . 0 0 "[ . 1 . 2]" 1
936 1 29 VAL MG1 1 34 VAL HA . . 5.240 3.982 3.229 5.075 . 0 0 "[ . 1 . 2]" 1
937 1 29 VAL HA 1 29 VAL MG1 . . 3.460 2.572 2.173 3.189 . 0 0 "[ . 1 . 2]" 1
938 1 53 VAL MG1 1 55 PHE HB3 . . 4.270 3.516 3.200 3.732 . 0 0 "[ . 1 . 2]" 1
939 1 53 VAL MG1 1 89 PHE QB . . 3.920 2.968 2.626 3.238 . 0 0 "[ . 1 . 2]" 1
940 1 53 VAL MG1 1 55 PHE HB2 . . 5.190 4.985 4.717 5.191 0.001 14 0 "[ . 1 . 2]" 1
941 1 53 VAL H 1 53 VAL MG1 . . 4.080 3.827 3.758 3.890 . 0 0 "[ . 1 . 2]" 1
942 1 53 VAL MG1 1 91 VAL HA . . 4.860 3.700 3.121 4.077 . 0 0 "[ . 1 . 2]" 1
943 1 91 VAL HA 1 92 VAL MG2 . . 5.120 3.447 3.231 3.639 . 0 0 "[ . 1 . 2]" 1
944 1 91 VAL H 1 92 VAL MG2 . . 4.550 3.808 3.263 4.089 . 0 0 "[ . 1 . 2]" 1
945 1 35 ARG HA 1 77 THR MG . . 4.330 3.183 2.697 3.703 . 0 0 "[ . 1 . 2]" 1
946 1 77 THR H 1 77 THR MG . . 4.280 3.824 3.775 3.873 . 0 0 "[ . 1 . 2]" 1
947 1 33 PHE QE 1 77 THR MG . . 4.330 2.965 2.735 3.299 . 0 0 "[ . 1 . 2]" 1
948 1 77 THR HA 1 77 THR MG . . 3.440 2.330 2.171 2.469 . 0 0 "[ . 1 . 2]" 1
949 1 33 PHE HB2 1 77 THR MG . . 3.930 2.402 1.972 2.804 . 0 0 "[ . 1 . 2]" 1
950 1 33 PHE HB3 1 77 THR MG . . 3.930 3.477 3.057 3.920 . 0 0 "[ . 1 . 2]" 1
951 1 57 ARG HA 1 87 TYR QE . . 4.650 3.106 2.448 3.658 . 0 0 "[ . 1 . 2]" 1
952 1 57 ARG HA 1 87 TYR HA . . 3.780 3.068 2.670 3.383 . 0 0 "[ . 1 . 2]" 1
953 1 57 ARG HA 1 58 GLU HB2 . . 5.500 4.576 4.294 5.592 0.092 7 0 "[ . 1 . 2]" 1
954 1 57 ARG HA 1 58 GLU HB3 . . 5.500 5.131 4.279 5.631 0.131 18 0 "[ . 1 . 2]" 1
955 1 88 THR MG 1 89 PHE HA . . 4.410 3.861 3.308 4.308 . 0 0 "[ . 1 . 2]" 1
956 1 88 THR HA 1 88 THR MG . . 3.360 2.331 2.160 2.448 . 0 0 "[ . 1 . 2]" 1
957 1 88 THR MG 1 105 PRO HB2 . . 3.290 2.428 2.045 2.698 . 0 0 "[ . 1 . 2]" 1
958 1 88 THR MG 1 105 PRO HB3 . . 3.290 3.016 2.750 3.281 . 0 0 "[ . 1 . 2]" 1
959 1 88 THR MG 1 106 ILE HG13 . . 4.970 4.134 3.671 4.550 . 0 0 "[ . 1 . 2]" 1
960 1 88 THR MG 1 107 LYS QD . . 5.290 4.332 3.149 4.930 . 0 0 "[ . 1 . 2]" 1
961 1 88 THR MG 1 107 LYS QG . . 3.480 2.819 2.224 3.300 . 0 0 "[ . 1 . 2]" 1
962 1 88 THR MG 1 106 ILE H . . 4.100 3.192 2.833 3.674 . 0 0 "[ . 1 . 2]" 1
963 1 53 VAL MG1 1 89 PHE QD . . 3.300 2.716 2.438 2.942 . 0 0 "[ . 1 . 2]" 1
964 1 53 VAL MG1 1 91 VAL MG1 . . 5.110 4.575 4.025 5.010 . 0 0 "[ . 1 . 2]" 1
965 1 53 VAL MG1 1 55 PHE QD . . 4.070 2.741 2.116 3.086 . 0 0 "[ . 1 . 2]" 1
966 1 92 VAL MG2 1 102 SER HA . . 4.150 2.827 2.431 3.082 . 0 0 "[ . 1 . 2]" 1
967 1 54 PHE QE 1 92 VAL MG2 . . 3.470 2.598 1.955 3.337 . 0 0 "[ . 1 . 2]" 1
968 1 92 VAL MG2 1 102 SER HB3 . . 4.360 3.313 2.432 4.306 . 0 0 "[ . 1 . 2]" 1
969 1 92 VAL HA 1 92 VAL MG2 . . 3.470 2.423 2.332 2.531 . 0 0 "[ . 1 . 2]" 1
970 1 26 PRO HG2 1 108 VAL MG1 . . 4.130 3.945 3.537 4.132 0.002 16 0 "[ . 1 . 2]" 1
971 1 24 VAL MG1 1 25 VAL H . . 3.840 2.692 2.297 3.037 . 0 0 "[ . 1 . 2]" 1
972 1 24 VAL H 1 24 VAL MG1 . . 4.140 3.765 3.732 3.788 . 0 0 "[ . 1 . 2]" 1
973 1 24 VAL MG1 1 38 TRP HB3 . . 4.300 2.570 2.095 3.003 . 0 0 "[ . 1 . 2]" 1
974 1 24 VAL MG1 1 38 TRP HB2 . . 4.680 4.054 3.689 4.427 . 0 0 "[ . 1 . 2]" 1
975 1 24 VAL MG1 1 91 VAL MG1 . . 4.610 4.085 3.632 4.498 . 0 0 "[ . 1 . 2]" 1
976 1 24 VAL MG1 1 38 TRP HE3 . . 4.090 2.389 1.949 2.905 . 0 0 "[ . 1 . 2]" 1
977 1 27 VAL MG1 1 28 LEU H . . 4.220 3.789 2.067 4.233 0.013 14 0 "[ . 1 . 2]" 1
978 1 27 VAL MG1 1 37 SER HB3 . . 3.590 2.156 1.772 3.621 0.031 7 0 "[ . 1 . 2]" 1
979 1 54 PHE QE 1 92 VAL MG1 . . 4.450 3.869 3.320 4.201 . 0 0 "[ . 1 . 2]" 1
980 1 34 VAL MG2 1 81 LEU MD1 . . 3.200 1.964 1.810 2.340 . 0 0 "[ . 1 . 2]" 1
981 1 34 VAL MG2 1 89 PHE HZ . . 3.620 2.994 2.395 3.467 . 0 0 "[ . 1 . 2]" 1
982 1 34 VAL HA 1 34 VAL MG2 . . 3.480 2.292 2.160 2.384 . 0 0 "[ . 1 . 2]" 1
983 1 29 VAL HA 1 34 VAL MG2 . . 3.800 2.712 2.160 2.988 . 0 0 "[ . 1 . 2]" 1
984 1 34 VAL MG2 1 108 VAL HB . . 3.980 3.679 3.228 3.952 . 0 0 "[ . 1 . 2]" 1
985 1 29 VAL HB 1 34 VAL MG2 . . 4.620 4.248 3.469 4.626 0.006 19 0 "[ . 1 . 2]" 1
986 1 34 VAL MG2 1 78 VAL HB . . 5.230 4.597 4.358 5.058 . 0 0 "[ . 1 . 2]" 1
987 1 77 THR MG 1 78 VAL HB . . 5.500 4.742 4.562 5.006 . 0 0 "[ . 1 . 2]" 1
988 1 38 TRP HE3 1 91 VAL MG2 . . 4.330 2.758 1.966 3.409 . 0 0 "[ . 1 . 2]" 1
989 1 53 VAL HA 1 91 VAL MG2 . . 4.550 3.734 3.248 4.251 . 0 0 "[ . 1 . 2]" 1
990 1 54 PHE H 1 91 VAL MG2 . . 5.430 4.918 4.452 5.339 . 0 0 "[ . 1 . 2]" 1
991 1 90 ARG H 1 91 VAL MG2 . . 5.500 4.205 3.867 4.507 . 0 0 "[ . 1 . 2]" 1
992 1 21 PRO HG3 1 91 VAL MG2 . . 4.750 4.155 3.670 4.611 . 0 0 "[ . 1 . 2]" 1
993 1 53 VAL MG1 1 91 VAL MG2 . . 3.720 3.075 2.619 3.558 . 0 0 "[ . 1 . 2]" 1
994 1 111 GLN HA 1 112 PRO HG2 . . 5.360 4.462 4.379 4.500 . 0 0 "[ . 1 . 2]" 1
995 1 111 GLN HA 1 112 PRO HG3 . . 5.360 4.437 4.383 4.463 . 0 0 "[ . 1 . 2]" 1
996 1 89 PHE QD 1 108 VAL MG2 . . 3.650 3.315 3.034 3.607 . 0 0 "[ . 1 . 2]" 1
997 1 89 PHE QE 1 108 VAL MG1 . . 4.680 4.163 3.939 4.430 . 0 0 "[ . 1 . 2]" 1
998 1 89 PHE QE 1 108 VAL MG2 . . 5.010 4.087 3.790 4.403 . 0 0 "[ . 1 . 2]" 1
999 1 106 ILE HG13 1 108 VAL MG2 . . 3.780 3.014 2.810 3.260 . 0 0 "[ . 1 . 2]" 1
1000 1 29 VAL H 1 29 VAL MG2 . . 4.180 3.062 2.330 3.946 . 0 0 "[ . 1 . 2]" 1
1001 1 24 VAL MG1 1 37 SER H . . 4.170 3.358 3.075 3.576 . 0 0 "[ . 1 . 2]" 1
1002 1 24 VAL MG1 1 36 LEU HA . . 4.740 3.832 3.461 4.256 . 0 0 "[ . 1 . 2]" 1
1003 1 24 VAL MG1 1 38 TRP HA . . 5.160 3.955 3.188 4.165 . 0 0 "[ . 1 . 2]" 1
1004 1 29 VAL MG2 1 34 VAL HA . . 5.240 3.814 3.199 4.328 . 0 0 "[ . 1 . 2]" 1
1005 1 29 VAL HA 1 29 VAL MG2 . . 3.460 2.394 2.307 2.527 . 0 0 "[ . 1 . 2]" 1
1006 1 24 VAL MG1 1 89 PHE QB . . 4.470 4.017 3.753 4.376 . 0 0 "[ . 1 . 2]" 1
1007 1 29 VAL MG2 1 111 GLN HG2 . . 5.070 4.604 2.973 5.066 . 0 0 "[ . 1 . 2]" 1
1008 1 24 VAL MG1 1 36 LEU HB3 . . 3.470 2.279 1.869 2.689 . 0 0 "[ . 1 . 2]" 1
1009 1 92 VAL HA 1 92 VAL MG1 . . 3.630 2.362 2.218 2.465 . 0 0 "[ . 1 . 2]" 1
1010 1 92 VAL MG1 1 99 PRO HB2 . . 4.200 2.919 2.071 3.395 . 0 0 "[ . 1 . 2]" 1
1011 1 24 VAL HA 1 25 VAL MG1 . . 4.450 3.915 3.703 4.144 . 0 0 "[ . 1 . 2]" 1
1012 1 17 LEU MD1 1 95 ASN H . . 4.880 4.375 3.972 4.822 . 0 0 "[ . 1 . 2]" 1
1013 1 17 LEU MD1 1 97 TRP H . . 5.260 4.283 3.994 4.550 . 0 0 "[ . 1 . 2]" 1
1014 1 12 PRO QB 1 17 LEU MD1 . . 4.680 4.165 3.418 4.626 . 0 0 "[ . 1 . 2]" 1
1015 1 12 PRO QG 1 17 LEU MD1 . . 4.190 3.347 2.202 4.173 . 0 0 "[ . 1 . 2]" 1
1016 1 17 LEU MD1 1 18 PRO HG3 . . 5.390 4.338 4.038 4.806 . 0 0 "[ . 1 . 2]" 1
1017 1 17 LEU HA 1 17 LEU MD1 . . 3.470 1.995 1.897 2.145 . 0 0 "[ . 1 . 2]" 1
1018 1 17 LEU MD1 1 18 PRO HD3 . . 3.860 2.948 2.729 3.305 . 0 0 "[ . 1 . 2]" 1
1019 1 17 LEU MD1 1 97 TRP QB . . 3.320 2.094 1.831 2.689 . 0 0 "[ . 1 . 2]" 1
1020 1 17 LEU HB3 1 17 LEU MD1 . . 3.650 2.435 2.315 2.633 . 0 0 "[ . 1 . 2]" 1
1021 1 107 LYS HA 1 108 VAL MG2 . . 4.440 3.705 3.548 3.908 . 0 0 "[ . 1 . 2]" 1
1022 1 25 VAL H 1 25 VAL MG1 . . 3.930 2.935 2.677 3.283 . 0 0 "[ . 1 . 2]" 1
1023 1 18 PRO HB2 1 44 ALA HA . . 4.290 3.686 3.284 4.271 . 0 0 "[ . 1 . 2]" 1
1024 1 18 PRO HA 1 44 ALA HA . . 4.350 2.815 2.099 3.222 . 0 0 "[ . 1 . 2]" 1
1025 1 16 VAL H 1 16 VAL MG1 . . 4.000 2.755 2.126 3.095 . 0 0 "[ . 1 . 2]" 1
1026 1 16 VAL MG1 1 17 LEU H . . 4.410 4.190 3.520 4.393 . 0 0 "[ . 1 . 2]" 1
1027 1 34 VAL MG1 1 35 ARG H . . 3.690 2.878 2.150 3.143 . 0 0 "[ . 1 . 2]" 1
1028 1 30 SER H 1 34 VAL MG1 . . 4.770 3.761 3.333 4.152 . 0 0 "[ . 1 . 2]" 1
1029 1 28 LEU H 1 34 VAL MG1 . . 4.740 4.217 3.539 4.477 . 0 0 "[ . 1 . 2]" 1
1030 1 34 VAL MG1 1 89 PHE QE . . 4.170 3.509 3.018 3.952 . 0 0 "[ . 1 . 2]" 1
1031 1 34 VAL MG1 1 89 PHE HZ . . 4.370 3.757 2.937 4.369 . 0 0 "[ . 1 . 2]" 1
1032 1 34 VAL HA 1 34 VAL MG1 . . 3.460 2.429 2.374 2.508 . 0 0 "[ . 1 . 2]" 1
1033 1 29 VAL HA 1 34 VAL MG1 . . 4.020 2.569 1.965 2.983 . 0 0 "[ . 1 . 2]" 1
1034 1 34 VAL MG1 1 108 VAL HB . . 4.340 3.095 2.765 3.335 . 0 0 "[ . 1 . 2]" 1
1035 1 26 PRO HB2 1 34 VAL MG1 . . 4.090 3.670 3.220 4.102 0.012 18 0 "[ . 1 . 2]" 1
1036 1 34 VAL MG1 1 36 LEU HG . . 3.590 2.802 2.474 3.048 . 0 0 "[ . 1 . 2]" 1
1037 1 29 VAL MG1 1 34 VAL MG1 . . 3.730 3.036 2.070 3.731 0.001 6 0 "[ . 1 . 2]" 1
1038 1 34 VAL MG1 1 108 VAL MG1 . . 3.190 2.426 2.006 2.801 . 0 0 "[ . 1 . 2]" 1
1039 1 34 VAL MG1 1 36 LEU MD2 . . 3.280 2.271 1.918 2.591 . 0 0 "[ . 1 . 2]" 1
1040 1 34 VAL MG1 1 81 LEU MD1 . . 4.170 3.811 3.656 3.947 . 0 0 "[ . 1 . 2]" 1
1041 1 29 VAL H 1 34 VAL MG1 . . 5.090 4.711 4.144 5.052 . 0 0 "[ . 1 . 2]" 1
1042 1 78 VAL H 1 78 VAL MG1 . . 4.300 3.808 3.777 3.894 . 0 0 "[ . 1 . 2]" 1
1043 1 55 PHE HZ 1 78 VAL MG1 . . 4.250 3.513 2.637 3.932 . 0 0 "[ . 1 . 2]" 1
1044 1 55 PHE QE 1 78 VAL MG1 . . 3.600 3.101 2.412 3.401 . 0 0 "[ . 1 . 2]" 1
1045 1 55 PHE QD 1 78 VAL MG1 . . 3.690 3.085 2.741 3.415 . 0 0 "[ . 1 . 2]" 1
1046 1 78 VAL MG1 1 89 PHE HZ . . 4.520 3.934 2.946 4.463 . 0 0 "[ . 1 . 2]" 1
1047 1 78 VAL HA 1 78 VAL MG1 . . 3.410 2.389 2.294 2.467 . 0 0 "[ . 1 . 2]" 1
1048 1 66 LEU HB3 1 78 VAL MG1 . . 4.280 3.986 3.346 4.261 . 0 0 "[ . 1 . 2]" 1
1049 1 34 VAL MG2 1 78 VAL MG1 . . 5.100 4.818 4.573 5.098 . 0 0 "[ . 1 . 2]" 1
1050 1 76 LEU MD2 1 78 VAL MG1 . . 5.350 4.621 4.007 5.118 . 0 0 "[ . 1 . 2]" 1
1051 1 36 LEU MD1 1 78 VAL MG1 . . 4.950 4.541 4.288 4.862 . 0 0 "[ . 1 . 2]" 1
1052 1 50 THR MG 1 68 THR H . . 4.670 4.179 3.508 4.680 0.010 19 0 "[ . 1 . 2]" 1
1053 1 24 VAL MG2 1 103 SER HG . . 4.130 2.829 2.012 4.131 0.001 1 0 "[ . 1 . 2]" 1
1054 1 24 VAL MG2 1 38 TRP HB2 . . 3.940 2.757 2.232 3.141 . 0 0 "[ . 1 . 2]" 1
1055 1 50 THR MG 1 94 TYR QD . . 4.660 4.421 4.135 4.661 0.001 10 0 "[ . 1 . 2]" 1
1056 1 50 THR HA 1 50 THR MG . . 3.730 3.199 3.188 3.207 . 0 0 "[ . 1 . 2]" 1
1057 1 50 THR MG 1 94 TYR HB2 . . 4.380 3.499 3.076 3.691 . 0 0 "[ . 1 . 2]" 1
1058 1 50 THR MG 1 94 TYR HB3 . . 4.380 4.272 3.806 4.385 0.005 14 0 "[ . 1 . 2]" 1
1059 1 49 GLN HB2 1 50 THR MG . . 4.010 3.015 2.496 3.416 . 0 0 "[ . 1 . 2]" 1
1060 1 49 GLN HB3 1 50 THR MG . . 4.010 3.267 2.786 3.690 . 0 0 "[ . 1 . 2]" 1
1061 1 81 LEU H 1 81 LEU MD2 . . 4.040 3.779 3.564 3.976 . 0 0 "[ . 1 . 2]" 1
1062 1 55 PHE QD 1 81 LEU MD2 . . 4.020 2.966 2.266 3.532 . 0 0 "[ . 1 . 2]" 1
1063 1 81 LEU MD2 1 89 PHE QE . . 4.390 3.289 2.535 3.740 . 0 0 "[ . 1 . 2]" 1
1064 1 81 LEU HA 1 81 LEU MD2 . . 3.230 2.270 1.987 2.581 . 0 0 "[ . 1 . 2]" 1
1065 1 34 VAL HB 1 81 LEU MD2 . . 4.790 4.589 4.422 4.785 . 0 0 "[ . 1 . 2]" 1
1066 1 34 VAL MG2 1 81 LEU MD2 . . 4.660 4.021 3.723 4.336 . 0 0 "[ . 1 . 2]" 1
1067 1 38 TRP HE1 1 74 LEU HA . . 4.260 3.619 2.516 4.155 . 0 0 "[ . 1 . 2]" 1
1068 1 24 VAL MG2 1 38 TRP HA . . 4.370 3.781 3.003 4.185 . 0 0 "[ . 1 . 2]" 1
1069 1 24 VAL MG2 1 103 SER HB3 . . 4.020 3.333 2.856 3.652 . 0 0 "[ . 1 . 2]" 1
1070 1 24 VAL MG2 1 38 TRP HB3 . . 3.820 2.115 1.875 2.580 . 0 0 "[ . 1 . 2]" 1
1071 1 24 VAL MG2 1 91 VAL MG2 . . 3.480 1.974 1.727 2.552 . 0 0 "[ . 1 . 2]" 1
1072 1 91 VAL MG1 1 93 ALA H . . 5.270 4.326 4.127 4.506 . 0 0 "[ . 1 . 2]" 1
1073 1 51 PHE QD 1 91 VAL MG1 . . 3.670 2.360 2.036 2.794 . 0 0 "[ . 1 . 2]" 1
1074 1 91 VAL HA 1 91 VAL MG1 . . 3.670 2.382 2.249 2.506 . 0 0 "[ . 1 . 2]" 1
1075 1 53 VAL HA 1 91 VAL MG1 . . 4.520 4.316 3.907 4.520 . 0 0 "[ . 1 . 2]" 1
1076 1 91 VAL MG1 1 92 VAL HA . . 4.750 3.372 3.145 3.614 . 0 0 "[ . 1 . 2]" 1
1077 1 51 PHE HB2 1 91 VAL MG1 . . 4.350 4.087 3.563 4.353 0.003 16 0 "[ . 1 . 2]" 1
1078 1 51 PHE HB3 1 91 VAL MG1 . . 4.350 2.773 2.375 3.036 . 0 0 "[ . 1 . 2]" 1
1079 1 21 PRO HB2 1 91 VAL MG1 . . 4.520 3.917 3.221 4.285 . 0 0 "[ . 1 . 2]" 1
1080 1 91 VAL MG1 1 92 VAL HB . . 4.740 4.549 4.426 4.731 . 0 0 "[ . 1 . 2]" 1
1081 1 21 PRO HG3 1 91 VAL MG1 . . 3.480 2.172 1.932 2.681 . 0 0 "[ . 1 . 2]" 1
1082 1 21 PRO HB3 1 91 VAL MG1 . . 4.520 3.748 3.159 4.181 . 0 0 "[ . 1 . 2]" 1
1083 1 91 VAL MG1 1 92 VAL MG2 . . 4.140 3.981 3.854 4.134 . 0 0 "[ . 1 . 2]" 1
1084 1 24 VAL MG2 1 91 VAL MG1 . . 4.180 3.167 2.685 3.621 . 0 0 "[ . 1 . 2]" 1
1085 1 53 VAL MG2 1 91 VAL MG1 . . 3.450 2.930 2.475 3.434 . 0 0 "[ . 1 . 2]" 1
1086 1 51 PHE HA 1 91 VAL MG1 . . 4.710 4.383 3.979 4.672 . 0 0 "[ . 1 . 2]" 1
1087 1 109 ALA MB 1 110 THR H . . 3.410 3.202 3.027 3.311 . 0 0 "[ . 1 . 2]" 1
1088 1 109 ALA H 1 109 ALA MB . . 2.980 2.290 2.187 2.405 . 0 0 "[ . 1 . 2]" 1
1089 1 86 MET H 1 109 ALA MB . . 4.970 4.436 4.100 4.850 . 0 0 "[ . 1 . 2]" 1
1090 1 86 MET HA 1 109 ALA MB . . 3.860 3.005 2.792 3.301 . 0 0 "[ . 1 . 2]" 1
1091 1 108 VAL HA 1 109 ALA MB . . 4.040 3.966 3.886 3.988 . 0 0 "[ . 1 . 2]" 1
1092 1 84 GLU HA 1 109 ALA MB . . 4.830 4.349 4.037 4.715 . 0 0 "[ . 1 . 2]" 1
1093 1 86 MET HG3 1 109 ALA MB . . 5.020 3.983 3.284 4.951 . 0 0 "[ . 1 . 2]" 1
1094 1 86 MET QB 1 109 ALA MB . . 4.000 3.341 2.301 3.976 . 0 0 "[ . 1 . 2]" 1
1095 1 55 PHE QE 1 78 VAL MG2 . . 4.310 3.751 2.960 4.181 . 0 0 "[ . 1 . 2]" 1
1096 1 55 PHE QD 1 78 VAL MG2 . . 3.970 3.485 3.032 3.904 . 0 0 "[ . 1 . 2]" 1
1097 1 78 VAL HA 1 78 VAL MG2 . . 3.450 2.367 2.245 2.525 . 0 0 "[ . 1 . 2]" 1
1098 1 76 LEU HG 1 78 VAL MG2 . . 3.820 2.530 2.159 2.784 . 0 0 "[ . 1 . 2]" 1
1099 1 36 LEU HG 1 78 VAL MG2 . . 4.520 4.110 3.758 4.400 . 0 0 "[ . 1 . 2]" 1
1100 1 53 VAL MG1 1 78 VAL MG2 . . 3.180 2.321 1.901 2.822 . 0 0 "[ . 1 . 2]" 1
1101 1 77 THR HA 1 78 VAL MG2 . . 4.670 3.744 3.285 3.963 . 0 0 "[ . 1 . 2]" 1
1102 1 18 PRO HA 1 44 ALA MB . . 4.630 4.285 3.641 4.635 0.005 3 0 "[ . 1 . 2]" 1
1103 1 43 GLU HA 1 44 ALA MB . . 4.850 4.064 3.866 4.314 . 0 0 "[ . 1 . 2]" 1
1104 1 44 ALA MB 1 48 ILE MD . . 3.350 2.108 1.896 2.384 . 0 0 "[ . 1 . 2]" 1
1105 1 44 ALA MB 1 48 ILE MG . . 4.690 4.410 4.139 4.697 0.007 2 0 "[ . 1 . 2]" 1
1106 1 27 VAL H 1 27 VAL MG2 . . 3.850 2.231 1.875 3.770 . 0 0 "[ . 1 . 2]" 1
1107 1 27 VAL HA 1 27 VAL MG2 . . 3.510 2.999 2.126 3.198 . 0 0 "[ . 1 . 2]" 1
1108 1 27 VAL MG2 1 37 SER HB2 . . 3.590 2.544 2.050 3.590 . 0 0 "[ . 1 . 2]" 1
1109 1 10 ALA HA 1 11 ILE H . . 3.150 2.507 2.141 2.997 . 0 0 "[ . 1 . 2]" 1
1110 1 25 VAL MG2 1 27 VAL H . . 4.440 3.566 3.330 3.778 . 0 0 "[ . 1 . 2]" 1
1111 1 25 VAL MG2 1 27 VAL HA . . 4.140 3.724 3.510 4.109 . 0 0 "[ . 1 . 2]" 1
1112 1 25 VAL MG2 1 26 PRO HD2 . . 4.320 3.915 3.695 4.063 . 0 0 "[ . 1 . 2]" 1
1113 1 25 VAL MG2 1 26 PRO HD3 . . 5.250 4.672 4.564 4.739 . 0 0 "[ . 1 . 2]" 1
1114 1 70 GLN HA 1 71 PRO HD3 . . 3.520 2.332 2.254 2.363 . 0 0 "[ . 1 . 2]" 1
1115 1 70 GLN QG 1 71 PRO HD2 . . 4.040 2.534 1.803 3.264 . 0 0 "[ . 1 . 2]" 1
1116 1 70 GLN HB3 1 71 PRO HD2 . . 3.880 2.120 1.989 3.524 . 0 0 "[ . 1 . 2]" 1
1117 1 39 ARG HD2 1 42 ALA MB . . 5.500 5.175 4.020 5.512 0.012 16 0 "[ . 1 . 2]" 1
1118 1 39 ARG HD3 1 42 ALA MB . . 5.500 5.028 4.574 5.505 0.005 18 0 "[ . 1 . 2]" 1
1119 1 42 ALA MB 1 43 GLU HG2 . . 4.130 3.603 2.496 4.097 . 0 0 "[ . 1 . 2]" 1
1120 1 42 ALA MB 1 43 GLU HG3 . . 4.130 3.296 2.453 4.134 0.004 15 0 "[ . 1 . 2]" 1
1121 1 20 ALA MB 1 102 SER H . . 4.730 3.770 3.381 4.267 . 0 0 "[ . 1 . 2]" 1
1122 1 20 ALA MB 1 103 SER HB3 . . 4.380 3.292 2.674 4.221 . 0 0 "[ . 1 . 2]" 1
1123 1 20 ALA MB 1 101 GLU QG . . 3.730 2.969 1.895 3.737 0.007 11 0 "[ . 1 . 2]" 1
1124 1 20 ALA MB 1 101 GLU HB3 . . 3.760 2.121 1.857 2.399 . 0 0 "[ . 1 . 2]" 1
1125 1 20 ALA MB 1 103 SER HA . . 3.400 2.622 2.014 2.909 . 0 0 "[ . 1 . 2]" 1
1126 1 20 ALA MB 1 101 GLU HB2 . . 3.760 3.000 2.217 3.761 0.001 4 0 "[ . 1 . 2]" 1
1127 1 70 GLN HA 1 71 PRO HD2 . . 3.670 2.472 2.224 2.539 . 0 0 "[ . 1 . 2]" 1
1128 1 70 GLN HB2 1 71 PRO HD2 . . 3.880 3.633 3.559 3.888 0.008 16 0 "[ . 1 . 2]" 1
1129 1 20 ALA MB 1 103 SER HB2 . . 4.380 4.014 3.639 4.305 . 0 0 "[ . 1 . 2]" 1
1130 1 20 ALA MB 1 21 PRO QD . . 4.110 2.289 1.993 2.501 . 0 0 "[ . 1 . 2]" 1
1131 1 19 SER HA 1 20 ALA MB . . 4.080 4.018 3.927 4.083 0.003 12 0 "[ . 1 . 2]" 1
1132 1 11 ILE HA 1 12 PRO HD3 . . 3.070 2.268 2.254 2.305 . 0 0 "[ . 1 . 2]" 1
1133 1 11 ILE HA 1 12 PRO HD2 . . 3.070 2.290 2.216 2.417 . 0 0 "[ . 1 . 2]" 1
1134 1 48 ILE MG 1 95 ASN HA . . 4.790 3.266 2.736 3.738 . 0 0 "[ . 1 . 2]" 1
1135 1 48 ILE QG 1 48 ILE MG . . 3.340 2.281 2.161 2.464 . 0 0 "[ . 1 . 2]" 1
1136 1 16 VAL MG2 1 17 LEU H . . 4.410 2.960 2.452 4.162 . 0 0 "[ . 1 . 2]" 1
1137 1 48 ILE MG 1 51 PHE QE . . 4.120 2.927 2.166 3.677 . 0 0 "[ . 1 . 2]" 1
1138 1 48 ILE HA 1 48 ILE MG . . 3.340 2.427 2.333 2.528 . 0 0 "[ . 1 . 2]" 1
1139 1 104 GLN HA 1 105 PRO HD3 . . 3.310 2.256 2.251 2.282 . 0 0 "[ . 1 . 2]" 1
1140 1 41 PRO HD3 1 51 PHE HZ . . 4.640 2.372 2.001 3.085 . 0 0 "[ . 1 . 2]" 1
1141 1 41 PRO HD2 1 51 PHE HZ . . 4.640 2.362 2.028 2.739 . 0 0 "[ . 1 . 2]" 1
1142 1 104 GLN HA 1 105 PRO HD2 . . 3.310 2.141 2.034 2.196 . 0 0 "[ . 1 . 2]" 1
1143 1 40 PRO HD3 1 74 LEU MD1 . . 4.440 3.033 1.786 3.967 . 0 0 "[ . 1 . 2]" 1
1144 1 89 PHE QB 1 106 ILE MG . . 4.870 4.562 4.283 4.846 . 0 0 "[ . 1 . 2]" 1
1145 1 25 VAL H 1 106 ILE MG . . 5.500 5.108 4.850 5.487 . 0 0 "[ . 1 . 2]" 1
1146 1 89 PHE H 1 106 ILE MG . . 5.500 4.999 4.772 5.201 . 0 0 "[ . 1 . 2]" 1
1147 1 106 ILE H 1 106 ILE MG . . 4.000 2.681 2.434 3.023 . 0 0 "[ . 1 . 2]" 1
1148 1 106 ILE MG 1 107 LYS H . . 3.920 3.792 3.495 3.900 . 0 0 "[ . 1 . 2]" 1
1149 1 24 VAL HB 1 106 ILE MG . . 3.690 2.852 2.270 3.502 . 0 0 "[ . 1 . 2]" 1
1150 1 106 ILE HG13 1 106 ILE MG . . 3.550 3.163 3.131 3.195 . 0 0 "[ . 1 . 2]" 1
1151 1 36 LEU MD2 1 106 ILE MG . . 5.060 4.604 4.101 4.976 . 0 0 "[ . 1 . 2]" 1
1152 1 25 VAL MG1 1 26 PRO HD2 . . 3.550 3.131 2.735 3.387 . 0 0 "[ . 1 . 2]" 1
1153 1 26 PRO HD3 1 108 VAL MG2 . . 4.350 3.046 2.713 3.347 . 0 0 "[ . 1 . 2]" 1
1154 1 17 LEU HB3 1 18 PRO HD3 . . 4.400 3.512 3.431 3.773 . 0 0 "[ . 1 . 2]" 1
1155 1 111 GLN HB3 1 112 PRO HD2 . . 4.040 2.099 1.993 2.331 . 0 0 "[ . 1 . 2]" 1
1156 1 111 GLN HA 1 112 PRO HD3 . . 3.260 2.279 2.255 2.293 . 0 0 "[ . 1 . 2]" 1
1157 1 111 GLN HA 1 112 PRO HD2 . . 3.360 2.339 2.235 2.386 . 0 0 "[ . 1 . 2]" 1
1158 1 111 GLN HB2 1 112 PRO HD2 . . 4.040 3.586 3.432 3.776 . 0 0 "[ . 1 . 2]" 1
1159 1 18 PRO HD2 1 100 GLY HA2 . . 4.560 3.248 2.624 3.620 . 0 0 "[ . 1 . 2]" 1
1160 1 18 PRO HD2 1 100 GLY HA3 . . 4.560 2.463 2.145 2.734 . 0 0 "[ . 1 . 2]" 1
1161 1 17 LEU HB2 1 18 PRO HD2 . . 4.550 3.664 3.523 3.901 . 0 0 "[ . 1 . 2]" 1
1162 1 17 LEU HG 1 18 PRO HD2 . . 4.970 3.838 3.533 4.157 . 0 0 "[ . 1 . 2]" 1
1163 1 17 LEU HB3 1 18 PRO HD2 . . 4.270 2.078 1.993 2.390 . 0 0 "[ . 1 . 2]" 1
1164 1 17 LEU MD1 1 18 PRO HD2 . . 4.240 2.302 2.012 2.724 . 0 0 "[ . 1 . 2]" 1
1165 1 11 ILE HA 1 11 ILE MG . . 3.330 2.275 2.024 2.439 . 0 0 "[ . 1 . 2]" 1
1166 1 11 ILE MG 1 12 PRO HD3 . . 4.110 3.857 3.373 4.056 . 0 0 "[ . 1 . 2]" 1
1167 1 11 ILE MG 1 12 PRO HD2 . . 4.110 3.077 2.562 3.332 . 0 0 "[ . 1 . 2]" 1
1168 1 11 ILE HG12 1 11 ILE MG . . 3.570 2.171 1.979 2.361 . 0 0 "[ . 1 . 2]" 1
1169 1 98 GLY HA2 1 99 PRO HD2 . . 4.030 3.071 2.931 3.175 . 0 0 "[ . 1 . 2]" 1
1170 1 98 GLY HA3 1 99 PRO HD3 . . 3.990 2.853 2.745 2.995 . 0 0 "[ . 1 . 2]" 1
1171 1 98 GLY HA2 1 99 PRO HD3 . . 4.030 2.780 2.647 2.888 . 0 0 "[ . 1 . 2]" 1
1172 1 98 GLY HA3 1 99 PRO HD2 . . 3.990 2.043 1.981 2.139 . 0 0 "[ . 1 . 2]" 1
1173 1 94 TYR QE 1 99 PRO HD2 . . 4.410 3.910 3.476 4.265 . 0 0 "[ . 1 . 2]" 1
1174 1 86 MET ME 1 108 VAL H . . 4.750 4.088 2.797 4.673 . 0 0 "[ . 1 . 2]" 1
1175 1 86 MET ME 1 109 ALA H . . 4.100 3.518 2.175 4.103 0.003 9 0 "[ . 1 . 2]" 1
1176 1 86 MET H 1 86 MET ME . . 5.150 4.974 4.507 5.146 . 0 0 "[ . 1 . 2]" 1
1177 1 86 MET HA 1 86 MET ME . . 4.210 3.404 2.287 3.909 . 0 0 "[ . 1 . 2]" 1
1178 1 86 MET ME 1 107 LYS QD . . 3.650 2.877 2.345 3.619 . 0 0 "[ . 1 . 2]" 1
1179 1 86 MET ME 1 107 LYS QG . . 4.340 3.787 3.487 4.091 . 0 0 "[ . 1 . 2]" 1
1180 1 86 MET ME 1 109 ALA MB . . 2.880 2.460 1.987 2.786 . 0 0 "[ . 1 . 2]" 1
1181 1 51 PHE QD 1 93 ALA MB . . 4.280 3.527 3.080 3.931 . 0 0 "[ . 1 . 2]" 1
1182 1 94 TYR QD 1 98 GLY HA2 . . 4.490 3.241 2.952 3.510 . 0 0 "[ . 1 . 2]" 1
1183 1 92 VAL MG1 1 94 TYR QD . . 4.060 3.107 2.471 3.627 . 0 0 "[ . 1 . 2]" 1
1184 1 33 PHE HA 1 33 PHE QD . . 4.370 3.701 3.650 3.727 . 0 0 "[ . 1 . 2]" 1
1185 1 33 PHE QD 1 34 VAL HA . . 4.550 2.955 2.702 3.220 . 0 0 "[ . 1 . 2]" 1
1186 1 89 PHE H 1 89 PHE QD . . 3.890 2.352 1.984 3.029 . 0 0 "[ . 1 . 2]" 1
1187 1 89 PHE QD 1 107 LYS HA . . 4.720 3.980 3.311 4.278 . 0 0 "[ . 1 . 2]" 1
1188 1 55 PHE HB3 1 89 PHE QD . . 3.900 3.034 2.429 3.336 . 0 0 "[ . 1 . 2]" 1
1189 1 89 PHE QD 1 106 ILE HG13 . . 4.200 3.479 3.114 3.750 . 0 0 "[ . 1 . 2]" 1
1190 1 89 PHE QD 1 106 ILE MD . . 4.080 3.705 3.366 3.889 . 0 0 "[ . 1 . 2]" 1
1191 1 78 VAL MG2 1 89 PHE QD . . 4.270 2.886 2.463 3.224 . 0 0 "[ . 1 . 2]" 1
1192 1 78 VAL MG1 1 89 PHE QD . . 4.440 3.748 3.035 4.190 . 0 0 "[ . 1 . 2]" 1
1193 1 33 PHE QD 1 77 THR MG . . 3.490 2.087 1.890 2.537 . 0 0 "[ . 1 . 2]" 1
1194 1 55 PHE QD 1 64 ARG QG . . 4.570 4.091 3.148 4.577 0.007 5 0 "[ . 1 . 2]" 1
1195 1 54 PHE QD 1 92 VAL MG2 . . 3.760 3.056 2.217 3.560 . 0 0 "[ . 1 . 2]" 1
1196 1 38 TRP HE1 1 51 PHE QE . . 4.460 2.908 2.300 3.430 . 0 0 "[ . 1 . 2]" 1
1197 1 28 LEU QB 1 33 PHE QE . . 4.030 3.631 2.843 4.053 0.023 9 0 "[ . 1 . 2]" 1
1198 1 28 LEU HG 1 33 PHE QE . . 4.250 4.093 3.666 4.376 0.126 19 0 "[ . 1 . 2]" 1
1199 1 55 PHE QE 1 66 LEU HB2 . . 4.690 2.497 2.035 2.887 . 0 0 "[ . 1 . 2]" 1
1200 1 55 PHE QE 1 81 LEU MD2 . . 4.160 3.608 2.531 4.131 . 0 0 "[ . 1 . 2]" 1
1201 1 34 VAL HB 1 89 PHE QE . . 4.590 3.113 2.452 3.688 . 0 0 "[ . 1 . 2]" 1
1202 1 87 TYR HB3 1 89 PHE QE . . 3.920 2.633 2.150 3.573 . 0 0 "[ . 1 . 2]" 1
1203 1 34 VAL MG2 1 89 PHE QE . . 3.900 3.449 3.021 3.683 . 0 0 "[ . 1 . 2]" 1
1204 1 78 VAL MG2 1 89 PHE QE . . 3.850 2.956 2.078 3.453 . 0 0 "[ . 1 . 2]" 1
1205 1 78 VAL MG1 1 89 PHE QE . . 3.650 2.454 2.100 2.923 . 0 0 "[ . 1 . 2]" 1
1206 1 38 TRP HE1 1 51 PHE HZ . . 4.470 3.833 3.364 4.369 . 0 0 "[ . 1 . 2]" 1
1207 1 51 PHE HZ 1 93 ALA MB . . 4.590 3.614 3.014 4.580 . 0 0 "[ . 1 . 2]" 1
1208 1 48 ILE MG 1 51 PHE HZ . . 4.330 3.688 3.183 4.265 . 0 0 "[ . 1 . 2]" 1
1209 1 87 TYR HB2 1 89 PHE HZ . . 4.840 3.325 2.437 4.078 . 0 0 "[ . 1 . 2]" 1
1210 1 81 LEU MD2 1 89 PHE HZ . . 4.340 2.812 2.218 3.664 . 0 0 "[ . 1 . 2]" 1
1211 1 87 TYR HB3 1 89 PHE HZ . . 4.840 3.468 2.852 4.438 . 0 0 "[ . 1 . 2]" 1
1212 1 89 PHE HZ 1 108 VAL HB . . 5.310 4.770 4.073 5.197 . 0 0 "[ . 1 . 2]" 1
1213 1 95 ASN HD22 1 97 TRP HD1 . . 4.280 2.333 1.916 4.225 . 0 0 "[ . 1 . 2]" 1
1214 1 95 ASN HD21 1 97 TRP HD1 . . 4.280 3.506 2.574 4.285 0.005 14 0 "[ . 1 . 2]" 1
1215 1 16 VAL HB 1 97 TRP HD1 . . 3.890 3.458 2.743 4.000 0.110 14 0 "[ . 1 . 2]" 1
1216 1 45 LYS HB3 1 97 TRP HD1 . . 4.880 4.055 3.324 4.745 . 0 0 "[ . 1 . 2]" 1
1217 1 88 THR HA 1 107 LYS HB3 . . 5.060 4.803 4.380 5.057 . 0 0 "[ . 1 . 2]" 1
1218 1 88 THR HA 1 107 LYS QG . . 4.170 3.139 2.708 3.468 . 0 0 "[ . 1 . 2]" 1
1219 1 88 THR HA 1 89 PHE QD . . 4.570 3.125 2.793 3.528 . 0 0 "[ . 1 . 2]" 1
1220 1 88 THR HA 1 107 LYS HA . . 3.540 2.533 2.289 2.777 . 0 0 "[ . 1 . 2]" 1
1221 1 38 TRP HD1 1 51 PHE QE . . 4.350 3.668 3.193 4.137 . 0 0 "[ . 1 . 2]" 1
1222 1 38 TRP HD1 1 74 LEU MD1 . . 5.080 3.530 2.410 5.054 . 0 0 "[ . 1 . 2]" 1
1223 1 38 TRP HH2 1 53 VAL MG1 . . 5.410 4.664 4.234 5.188 . 0 0 "[ . 1 . 2]" 1
1224 1 38 TRP HH2 1 76 LEU MD1 . . 5.500 4.458 3.873 4.751 . 0 0 "[ . 1 . 2]" 1
1225 1 38 TRP HH2 1 53 VAL MG2 . . 4.150 2.768 2.417 3.304 . 0 0 "[ . 1 . 2]" 1
1226 1 38 TRP HH2 1 76 LEU HG . . 5.080 4.408 4.149 4.729 . 0 0 "[ . 1 . 2]" 1
1227 1 55 PHE HB2 1 89 PHE HA . . 4.580 4.418 4.279 4.586 0.006 5 0 "[ . 1 . 2]" 1
1228 1 53 VAL MG1 1 89 PHE HA . . 4.520 3.714 3.473 4.099 . 0 0 "[ . 1 . 2]" 1
1229 1 89 PHE HA 1 89 PHE QD . . 4.070 3.147 3.044 3.240 . 0 0 "[ . 1 . 2]" 1
1230 1 55 PHE HB3 1 89 PHE HA . . 4.410 3.302 2.922 3.552 . 0 0 "[ . 1 . 2]" 1
1231 1 51 PHE HA 1 94 TYR QD . . 4.520 3.736 3.142 4.009 . 0 0 "[ . 1 . 2]" 1
1232 1 51 PHE HA 1 51 PHE QD . . 4.260 3.052 2.940 3.156 . 0 0 "[ . 1 . 2]" 1
1233 1 54 PHE HA 1 54 PHE QD . . 3.930 3.030 2.505 3.186 . 0 0 "[ . 1 . 2]" 1
1234 1 54 PHE HA 1 55 PHE QD . . 4.330 2.866 2.644 3.376 . 0 0 "[ . 1 . 2]" 1
1235 1 54 PHE HA 1 65 ALA HA . . 3.760 2.676 2.437 2.872 . 0 0 "[ . 1 . 2]" 1
1236 1 33 PHE HA 1 81 LEU HG . . 4.280 2.995 2.561 3.385 . 0 0 "[ . 1 . 2]" 1
1237 1 33 PHE HA 1 34 VAL MG2 . . 4.550 3.398 3.218 3.636 . 0 0 "[ . 1 . 2]" 1
1238 1 97 TRP H 1 97 TRP HE3 . . 4.610 4.327 3.535 4.609 . 0 0 "[ . 1 . 2]" 1
1239 1 33 PHE HA 1 81 LEU MD1 . . 3.890 2.081 1.970 2.396 . 0 0 "[ . 1 . 2]" 1
1240 1 97 TRP HA 1 97 TRP HE3 . . 4.170 2.157 1.974 2.683 . 0 0 "[ . 1 . 2]" 1
1241 1 55 PHE HA 1 89 PHE QD . . 4.510 4.406 4.154 4.512 0.002 4 0 "[ . 1 . 2]" 1
1242 1 55 PHE HA 1 89 PHE HA . . 3.980 2.894 2.573 3.053 . 0 0 "[ . 1 . 2]" 1
1243 1 55 PHE HA 1 55 PHE QD . . 4.130 3.649 3.505 3.700 . 0 0 "[ . 1 . 2]" 1
1244 1 107 LYS HA 1 107 LYS QG . . 3.660 2.295 2.166 2.374 . 0 0 "[ . 1 . 2]" 1
1245 1 88 THR MG 1 107 LYS HA . . 4.560 3.619 3.121 4.070 . 0 0 "[ . 1 . 2]" 1
1246 1 35 ARG HA 1 77 THR HA . . 3.980 2.143 1.996 2.614 . 0 0 "[ . 1 . 2]" 1
1247 1 36 LEU HB2 1 38 TRP HE3 . . 4.320 3.179 2.886 3.376 . 0 0 "[ . 1 . 2]" 1
1248 1 36 LEU HB3 1 38 TRP HE3 . . 4.200 3.282 3.063 3.508 . 0 0 "[ . 1 . 2]" 1
1249 1 81 LEU MD2 1 87 TYR QE . . 4.310 3.496 2.588 4.141 . 0 0 "[ . 1 . 2]" 1
1250 1 57 ARG QD 1 87 TYR QE . . 4.850 3.182 2.103 4.414 . 0 0 "[ . 1 . 2]" 1
1251 1 52 THR HB 1 94 TYR QE . . 3.600 2.171 1.997 2.553 . 0 0 "[ . 1 . 2]" 1
1252 1 92 VAL MG1 1 94 TYR QE . . 3.910 2.538 2.103 3.056 . 0 0 "[ . 1 . 2]" 1
1253 1 94 TYR QE 1 99 PRO HD3 . . 4.410 2.297 2.003 2.646 . 0 0 "[ . 1 . 2]" 1
1254 1 94 TYR QE 1 99 PRO HB2 . . 4.590 4.022 3.889 4.158 . 0 0 "[ . 1 . 2]" 1
1255 1 94 TYR QE 1 99 PRO HB3 . . 4.590 2.693 2.399 2.870 . 0 0 "[ . 1 . 2]" 1
1256 1 92 VAL MG2 1 94 TYR QE . . 4.510 3.601 3.354 3.823 . 0 0 "[ . 1 . 2]" 1
1257 1 52 THR MG 1 94 TYR QE . . 4.220 2.992 2.584 3.462 . 0 0 "[ . 1 . 2]" 1
1258 1 92 VAL HB 1 94 TYR QE . . 4.020 2.562 2.253 2.803 . 0 0 "[ . 1 . 2]" 1
1259 1 66 LEU HG 1 67 ASN HA . . 4.840 4.071 3.731 4.825 . 0 0 "[ . 1 . 2]" 1
1260 1 67 ASN HA 1 69 THR MG . . 5.330 4.715 4.190 5.080 . 0 0 "[ . 1 . 2]" 1
1261 1 67 ASN HA 1 76 LEU MD2 . . 4.460 3.542 2.891 4.339 . 0 0 "[ . 1 . 2]" 1
1262 1 52 THR MG 1 67 ASN HA . . 4.480 3.919 3.498 4.344 . 0 0 "[ . 1 . 2]" 1
1263 1 48 ILE HA 1 95 ASN HA . . 3.860 2.193 2.011 2.414 . 0 0 "[ . 1 . 2]" 1
1264 1 54 PHE QD 1 65 ALA HA . . 4.260 3.525 2.939 3.962 . 0 0 "[ . 1 . 2]" 1
1265 1 86 MET HA 1 109 ALA HA . . 3.690 2.322 1.998 2.618 . 0 0 "[ . 1 . 2]" 1
1266 1 38 TRP HZ2 1 74 LEU HA . . 4.390 3.561 3.210 3.891 . 0 0 "[ . 1 . 2]" 1
1267 1 38 TRP HZ2 1 51 PHE QD . . 4.130 3.371 2.973 3.799 . 0 0 "[ . 1 . 2]" 1
1268 1 38 TRP HZ2 1 51 PHE HB3 . . 4.360 2.669 2.225 3.446 . 0 0 "[ . 1 . 2]" 1
1269 1 38 TRP HZ2 1 51 PHE HB2 . . 4.360 2.421 2.055 2.765 . 0 0 "[ . 1 . 2]" 1
1270 1 11 ILE HA 1 12 PRO QG . . 4.390 3.936 3.893 4.012 . 0 0 "[ . 1 . 2]" 1
1271 1 24 VAL MG1 1 106 ILE MD . . 2.880 2.531 2.052 2.880 0.000 5 0 "[ . 1 . 2]" 1
1272 1 106 ILE MD 1 106 ILE MG . . 2.950 2.331 2.133 2.490 . 0 0 "[ . 1 . 2]" 1
1273 1 86 MET ME 1 107 LYS QE . . 4.280 4.065 3.346 4.281 0.001 5 0 "[ . 1 . 2]" 1
1274 1 43 GLU HG2 1 45 LYS HE3 . . 5.500 3.908 2.344 5.442 . 0 0 "[ . 1 . 2]" 1
1275 1 43 GLU HG3 1 45 LYS HE3 . . 5.500 4.243 3.235 5.489 . 0 0 "[ . 1 . 2]" 1
1276 1 107 LYS HB3 1 107 LYS QD . . 3.290 2.256 2.095 2.402 . 0 0 "[ . 1 . 2]" 1
1277 1 86 MET HG3 1 107 LYS QD . . 4.170 3.438 2.048 4.125 . 0 0 "[ . 1 . 2]" 1
1278 1 41 PRO HG3 1 44 ALA MB . . 4.090 3.696 3.041 4.076 . 0 0 "[ . 1 . 2]" 1
1279 1 96 GLU H 1 96 GLU HG2 . . 4.640 4.017 2.259 4.637 . 0 0 "[ . 1 . 2]" 1
1280 1 96 GLU H 1 96 GLU HG3 . . 4.640 3.845 2.194 4.625 . 0 0 "[ . 1 . 2]" 1
1281 1 20 ALA H 1 101 GLU HB3 . . 4.600 2.608 1.897 3.302 . 0 0 "[ . 1 . 2]" 1
1282 1 16 VAL HB 1 17 LEU MD2 . . 4.610 4.250 3.845 4.600 . 0 0 "[ . 1 . 2]" 1
1283 1 17 LEU HB2 1 17 LEU MD2 . . 3.210 2.176 2.037 2.298 . 0 0 "[ . 1 . 2]" 1
1284 1 17 LEU HB3 1 17 LEU MD2 . . 3.500 3.162 3.099 3.190 . 0 0 "[ . 1 . 2]" 1
1285 1 36 LEU MD1 1 53 VAL MG1 . . 3.250 2.505 2.218 3.005 . 0 0 "[ . 1 . 2]" 1
1286 1 24 VAL MG1 1 36 LEU MD1 . . 3.470 2.992 2.658 3.461 . 0 0 "[ . 1 . 2]" 1
1287 1 36 LEU MD1 1 53 VAL MG2 . . 3.390 3.227 3.041 3.395 0.005 17 0 "[ . 1 . 2]" 1
1288 1 36 LEU MD1 1 78 VAL MG2 . . 3.710 2.814 2.550 2.999 . 0 0 "[ . 1 . 2]" 1
1289 1 24 VAL MG1 1 36 LEU MD2 . . 3.290 2.707 2.380 3.067 . 0 0 "[ . 1 . 2]" 1
1290 1 36 LEU MD2 1 108 VAL MG2 . . 3.670 2.848 2.418 3.127 . 0 0 "[ . 1 . 2]" 1
1291 1 36 LEU MD2 1 106 ILE MD . . 3.230 2.194 1.901 2.514 . 0 0 "[ . 1 . 2]" 1
1292 1 66 LEU MD2 1 76 LEU MD2 . . 4.580 2.490 1.871 3.171 . 0 0 "[ . 1 . 2]" 1
1293 1 66 LEU MD1 1 76 LEU MD2 . . 4.580 4.018 3.595 4.575 . 0 0 "[ . 1 . 2]" 1
1294 1 34 VAL MG2 1 110 THR MG . . 3.180 2.471 2.214 2.823 . 0 0 "[ . 1 . 2]" 1
1295 1 68 THR HA 1 68 THR MG . . 3.400 2.600 1.996 3.194 . 0 0 "[ . 1 . 2]" 1
1296 1 84 GLU HG3 1 112 PRO HA . . 3.960 2.472 1.998 3.585 . 0 0 "[ . 1 . 2]" 1
1297 1 112 PRO HB3 1 113 GLU H . . 4.600 4.258 3.828 4.556 . 0 0 "[ . 1 . 2]" 1
1298 1 29 VAL MG2 1 34 VAL MG1 . . 3.730 2.275 1.952 2.684 . 0 0 "[ . 1 . 2]" 1
1299 1 24 VAL MG1 1 91 VAL MG2 . . 3.470 2.190 1.925 2.615 . 0 0 "[ . 1 . 2]" 1
1300 1 27 VAL MG2 1 28 LEU QB . . 4.880 2.943 2.237 4.633 . 0 0 "[ . 1 . 2]" 1
1301 1 34 VAL MG1 1 89 PHE QD . . 4.730 3.968 3.613 4.344 . 0 0 "[ . 1 . 2]" 1
1302 1 107 LYS HA 1 108 VAL HB . . 4.820 4.713 4.626 4.804 . 0 0 "[ . 1 . 2]" 1
1303 1 108 VAL HB 1 109 ALA H . . 4.650 4.119 3.946 4.206 . 0 0 "[ . 1 . 2]" 1
1304 1 26 PRO HB3 1 108 VAL MG1 . . 3.920 2.752 2.271 3.239 . 0 0 "[ . 1 . 2]" 1
1305 1 26 PRO HB2 1 108 VAL MG1 . . 3.920 3.039 2.643 3.438 . 0 0 "[ . 1 . 2]" 1
1306 1 108 VAL MG1 1 109 ALA MB . . 3.970 3.865 3.758 3.968 . 0 0 "[ . 1 . 2]" 1
1307 1 34 VAL MG2 1 108 VAL MG1 . . 3.220 2.847 2.316 3.119 . 0 0 "[ . 1 . 2]" 1
1308 1 69 THR HA 1 76 LEU MD1 . . 4.130 3.521 2.975 3.901 . 0 0 "[ . 1 . 2]" 1
1309 1 69 THR HA 1 76 LEU MD2 . . 5.260 4.597 3.957 5.265 0.005 19 0 "[ . 1 . 2]" 1
1310 1 19 SER H 1 19 SER HB3 . . 4.080 2.945 2.418 3.621 . 0 0 "[ . 1 . 2]" 1
1311 1 24 VAL HA 1 25 VAL MG2 . . 4.360 3.655 3.444 3.840 . 0 0 "[ . 1 . 2]" 1
1312 1 11 ILE HA 1 11 ILE QG . . 3.700 3.324 3.241 3.404 . 0 0 "[ . 1 . 2]" 1
1313 1 11 ILE HA 1 12 PRO QD . . 2.680 2.030 1.990 2.099 . 0 0 "[ . 1 . 2]" 1
1314 1 11 ILE HB 1 12 PRO QD . . 3.290 2.198 2.001 2.438 . 0 0 "[ . 1 . 2]" 1
1315 1 11 ILE QG 1 11 ILE MG . . 3.080 2.122 1.937 2.303 . 0 0 "[ . 1 . 2]" 1
1316 1 11 ILE MG 1 12 PRO QD . . 3.330 2.961 2.488 3.186 . 0 0 "[ . 1 . 2]" 1
1317 1 12 PRO HA 1 16 VAL QG . . 4.750 4.402 3.655 4.723 . 0 0 "[ . 1 . 2]" 1
1318 1 12 PRO QB 1 16 VAL QG . . 4.160 2.576 1.804 3.605 . 0 0 "[ . 1 . 2]" 1
1319 1 15 SER QB 1 16 VAL H . . 4.120 3.349 1.921 4.024 . 0 0 "[ . 1 . 2]" 1
1320 1 15 SER QB 1 16 VAL QG . . 5.200 3.677 2.623 4.482 . 0 0 "[ . 1 . 2]" 1
1321 1 15 SER QB 1 17 LEU H . . 5.270 4.322 3.651 5.093 . 0 0 "[ . 1 . 2]" 1
1322 1 15 SER QB 1 17 LEU MD2 . . 5.180 4.452 3.398 5.175 . 0 0 "[ . 1 . 2]" 1
1323 1 16 VAL H 1 16 VAL QG . . 3.120 2.007 1.839 2.289 . 0 0 "[ . 1 . 2]" 1
1324 1 16 VAL HA 1 16 VAL QG . . 3.030 2.212 2.086 2.342 . 0 0 "[ . 1 . 2]" 1
1325 1 16 VAL HA 1 45 LYS QB . . 3.890 3.496 2.982 3.885 . 0 0 "[ . 1 . 2]" 1
1326 1 16 VAL HA 1 45 LYS QD . . 3.650 2.788 1.936 3.407 . 0 0 "[ . 1 . 2]" 1
1327 1 16 VAL HB 1 45 LYS QG . . 3.930 3.408 2.260 3.933 0.003 3 0 "[ . 1 . 2]" 1
1328 1 16 VAL QG 1 17 LEU H . . 3.630 2.867 2.434 3.342 . 0 0 "[ . 1 . 2]" 1
1329 1 16 VAL QG 1 17 LEU HA . . 4.520 3.522 3.315 3.884 . 0 0 "[ . 1 . 2]" 1
1330 1 16 VAL QG 1 17 LEU HG . . 4.640 4.486 3.856 4.641 0.001 3 0 "[ . 1 . 2]" 1
1331 1 16 VAL QG 1 17 LEU MD1 . . 3.440 2.694 1.963 3.399 . 0 0 "[ . 1 . 2]" 1
1332 1 16 VAL QG 1 17 LEU MD2 . . 3.790 2.057 1.761 2.459 . 0 0 "[ . 1 . 2]" 1
1333 1 16 VAL QG 1 97 TRP QB . . 3.530 3.138 2.684 3.525 . 0 0 "[ . 1 . 2]" 1
1334 1 16 VAL QG 1 97 TRP HD1 . . 4.270 3.050 1.743 4.063 . 0 0 "[ . 1 . 2]" 1
1335 1 16 VAL QG 1 97 TRP HE1 . . 4.280 3.007 1.855 3.881 . 0 0 "[ . 1 . 2]" 1
1336 1 17 LEU HA 1 95 ASN QD . . 4.100 2.809 2.023 3.860 . 0 0 "[ . 1 . 2]" 1
1337 1 17 LEU HB3 1 100 GLY QA . . 3.900 1.886 1.783 2.031 . 0 0 "[ . 1 . 2]" 1
1338 1 17 LEU MD1 1 95 ASN QD . . 4.700 2.813 2.107 4.326 . 0 0 "[ . 1 . 2]" 1
1339 1 17 LEU MD1 1 100 GLY QA . . 4.220 2.933 2.496 3.420 . 0 0 "[ . 1 . 2]" 1
1340 1 17 LEU MD2 1 100 GLY QA . . 4.720 3.726 3.473 4.030 . 0 0 "[ . 1 . 2]" 1
1341 1 18 PRO HA 1 95 ASN QD . . 5.230 4.715 3.645 5.102 . 0 0 "[ . 1 . 2]" 1
1342 1 18 PRO QB 1 19 SER H . . 3.980 3.316 2.960 3.715 . 0 0 "[ . 1 . 2]" 1
1343 1 18 PRO QB 1 41 PRO HG3 . . 4.070 2.772 2.173 3.794 . 0 0 "[ . 1 . 2]" 1
1344 1 18 PRO QB 1 44 ALA HA . . 3.740 2.194 1.989 2.593 . 0 0 "[ . 1 . 2]" 1
1345 1 18 PRO QB 1 44 ALA MB . . 4.180 3.000 2.354 3.421 . 0 0 "[ . 1 . 2]" 1
1346 1 18 PRO QB 1 48 ILE MD . . 3.500 2.728 2.314 3.098 . 0 0 "[ . 1 . 2]" 1
1347 1 18 PRO QB 1 93 ALA MB . . 3.450 2.494 2.238 2.765 . 0 0 "[ . 1 . 2]" 1
1348 1 18 PRO QB 1 95 ASN H . . 5.340 5.152 4.381 5.352 0.012 10 0 "[ . 1 . 2]" 1
1349 1 18 PRO HG3 1 95 ASN QB . . 3.940 2.618 2.025 3.938 . 0 0 "[ . 1 . 2]" 1
1350 1 18 PRO HG3 1 95 ASN QD . . 3.930 3.188 1.937 3.790 . 0 0 "[ . 1 . 2]" 1
1351 1 18 PRO HG3 1 100 GLY QA . . 4.600 4.091 3.480 4.517 . 0 0 "[ . 1 . 2]" 1
1352 1 18 PRO HD2 1 100 GLY QA . . 3.990 2.389 2.111 2.638 . 0 0 "[ . 1 . 2]" 1
1353 1 18 PRO HD3 1 95 ASN QD . . 3.940 2.122 1.839 2.586 . 0 0 "[ . 1 . 2]" 1
1354 1 19 SER H 1 19 SER QB . . 3.410 2.296 2.151 2.504 . 0 0 "[ . 1 . 2]" 1
1355 1 19 SER H 1 41 PRO QB . . 3.580 3.178 2.500 3.588 0.008 17 0 "[ . 1 . 2]" 1
1356 1 19 SER H 1 43 GLU QB . . 4.700 3.752 2.740 4.494 . 0 0 "[ . 1 . 2]" 1
1357 1 19 SER QB 1 20 ALA H . . 3.470 3.131 2.580 3.463 . 0 0 "[ . 1 . 2]" 1
1358 1 19 SER QB 1 41 PRO QB . . 5.180 3.704 2.890 4.695 . 0 0 "[ . 1 . 2]" 1
1359 1 20 ALA H 1 101 GLU QB . . 3.780 2.085 1.884 2.410 . 0 0 "[ . 1 . 2]" 1
1360 1 20 ALA MB 1 103 SER QB . . 3.850 3.131 2.618 3.765 . 0 0 "[ . 1 . 2]" 1
1361 1 21 PRO QB 1 22 ARG H . . 3.650 2.569 1.918 2.924 . 0 0 "[ . 1 . 2]" 1
1362 1 21 PRO QB 1 24 VAL MG2 . . 4.150 3.171 2.626 3.606 . 0 0 "[ . 1 . 2]" 1
1363 1 21 PRO QB 1 38 TRP HD1 . . 4.220 2.323 1.859 3.136 . 0 0 "[ . 1 . 2]" 1
1364 1 21 PRO QB 1 51 PHE QE . . 4.780 3.619 2.644 4.068 . 0 0 "[ . 1 . 2]" 1
1365 1 21 PRO QB 1 91 VAL MG1 . . 3.900 3.405 2.841 3.739 . 0 0 "[ . 1 . 2]" 1
1366 1 22 ARG H 1 22 ARG QB . . 3.100 2.290 2.139 2.413 . 0 0 "[ . 1 . 2]" 1
1367 1 22 ARG H 1 39 ARG QD . . 4.850 3.528 2.363 4.604 . 0 0 "[ . 1 . 2]" 1
1368 1 22 ARG QB 1 23 ASP H . . 3.590 2.825 2.165 3.594 0.004 1 0 "[ . 1 . 2]" 1
1369 1 22 ARG QG 1 23 ASP QB . . 4.350 3.523 2.614 4.414 0.064 19 0 "[ . 1 . 2]" 1
1370 1 22 ARG QG 1 38 TRP HA . . 4.610 3.765 2.863 4.613 0.003 11 0 "[ . 1 . 2]" 1
1371 1 22 ARG QG 1 38 TRP HB2 . . 5.300 4.315 3.438 5.301 0.001 18 0 "[ . 1 . 2]" 1
1372 1 22 ARG QG 1 39 ARG H . . 3.850 3.022 1.956 3.858 0.008 17 0 "[ . 1 . 2]" 1
1373 1 22 ARG QG 1 39 ARG QB . . 3.570 2.768 1.805 3.578 0.008 1 0 "[ . 1 . 2]" 1
1374 1 22 ARG QD 1 23 ASP QB . . 3.830 3.538 2.454 3.892 0.062 7 0 "[ . 1 . 2]" 1
1375 1 22 ARG QD 1 39 ARG QB . . 4.260 3.635 2.392 4.275 0.015 19 0 "[ . 1 . 2]" 1
1376 1 23 ASP QB 1 24 VAL H . . 4.470 3.847 3.478 4.046 . 0 0 "[ . 1 . 2]" 1
1377 1 25 VAL MG2 1 37 SER QB . . 3.950 3.576 2.865 3.963 0.013 2 0 "[ . 1 . 2]" 1
1378 1 26 PRO QB 1 27 VAL H . . 4.040 3.887 3.833 3.907 . 0 0 "[ . 1 . 2]" 1
1379 1 26 PRO QB 1 28 LEU H . . 4.170 3.594 3.098 4.063 . 0 0 "[ . 1 . 2]" 1
1380 1 26 PRO QB 1 29 VAL QG . . 3.420 2.335 1.818 3.431 0.011 6 0 "[ . 1 . 2]" 1
1381 1 26 PRO QB 1 34 VAL MG1 . . 3.540 3.037 2.660 3.408 . 0 0 "[ . 1 . 2]" 1
1382 1 26 PRO QB 1 36 LEU MD2 . . 3.480 2.578 1.875 2.979 . 0 0 "[ . 1 . 2]" 1
1383 1 26 PRO QB 1 108 VAL MG1 . . 3.440 2.549 2.150 2.943 . 0 0 "[ . 1 . 2]" 1
1384 1 26 PRO QB 1 108 VAL MG2 . . 3.610 2.116 1.850 2.644 . 0 0 "[ . 1 . 2]" 1
1385 1 26 PRO HG2 1 29 VAL QG . . 4.550 3.732 3.180 4.487 . 0 0 "[ . 1 . 2]" 1
1386 1 27 VAL H 1 27 VAL QG . . 3.070 1.934 1.814 2.450 . 0 0 "[ . 1 . 2]" 1
1387 1 27 VAL HA 1 27 VAL QG . . 2.910 2.192 2.067 2.306 . 0 0 "[ . 1 . 2]" 1
1388 1 27 VAL HB 1 35 ARG QD . . 4.610 3.943 2.817 4.619 0.009 7 0 "[ . 1 . 2]" 1
1389 1 27 VAL HB 1 37 SER QB . . 3.880 3.481 1.961 3.959 0.079 19 0 "[ . 1 . 2]" 1
1390 1 27 VAL QG 1 28 LEU H . . 3.380 2.253 1.923 3.178 . 0 0 "[ . 1 . 2]" 1
1391 1 27 VAL QG 1 28 LEU QB . . 3.360 2.719 2.199 3.012 . 0 0 "[ . 1 . 2]" 1
1392 1 27 VAL QG 1 28 LEU QD . . 4.490 3.703 2.955 4.050 . 0 0 "[ . 1 . 2]" 1
1393 1 27 VAL QG 1 35 ARG QB . . 3.490 2.787 2.063 3.284 . 0 0 "[ . 1 . 2]" 1
1394 1 27 VAL QG 1 35 ARG HG2 . . 3.630 2.353 1.956 2.840 . 0 0 "[ . 1 . 2]" 1
1395 1 27 VAL QG 1 35 ARG HG3 . . 4.050 3.631 3.219 4.007 . 0 0 "[ . 1 . 2]" 1
1396 1 27 VAL QG 1 35 ARG QD . . 3.600 2.223 1.864 3.118 . 0 0 "[ . 1 . 2]" 1
1397 1 27 VAL QG 1 36 LEU H . . 4.210 3.592 2.802 4.030 . 0 0 "[ . 1 . 2]" 1
1398 1 27 VAL QG 1 36 LEU HA . . 4.340 2.546 2.132 2.748 . 0 0 "[ . 1 . 2]" 1
1399 1 27 VAL QG 1 37 SER H . . 3.760 2.410 1.930 3.076 . 0 0 "[ . 1 . 2]" 1
1400 1 27 VAL QG 1 37 SER QB . . 2.770 1.776 1.613 2.278 . 0 0 "[ . 1 . 2]" 1
1401 1 28 LEU H 1 28 LEU QD . . 4.320 3.866 3.581 4.116 . 0 0 "[ . 1 . 2]" 1
1402 1 28 LEU H 1 29 VAL QG . . 5.080 3.844 3.318 4.810 . 0 0 "[ . 1 . 2]" 1
1403 1 28 LEU H 1 35 ARG QB . . 4.290 3.200 2.427 3.926 . 0 0 "[ . 1 . 2]" 1
1404 1 28 LEU H 1 35 ARG QD . . 4.750 4.172 3.635 4.756 0.006 18 0 "[ . 1 . 2]" 1
1405 1 28 LEU HA 1 28 LEU QD . . 3.270 2.326 1.903 3.246 . 0 0 "[ . 1 . 2]" 1
1406 1 28 LEU HA 1 29 VAL QG . . 4.180 3.490 3.184 3.729 . 0 0 "[ . 1 . 2]" 1
1407 1 28 LEU QB 1 28 LEU QD . . 2.750 1.896 1.757 2.032 . 0 0 "[ . 1 . 2]" 1
1408 1 28 LEU QB 1 35 ARG QB . . 3.480 1.982 1.811 2.182 . 0 0 "[ . 1 . 2]" 1
1409 1 28 LEU QB 1 35 ARG QD . . 3.750 2.608 2.185 3.006 . 0 0 "[ . 1 . 2]" 1
1410 1 28 LEU QD 1 30 SER QB . . 3.980 3.249 2.355 3.981 0.001 6 0 "[ . 1 . 2]" 1
1411 1 28 LEU QD 1 33 PHE QD . . 4.390 4.031 3.231 4.327 . 0 0 "[ . 1 . 2]" 1
1412 1 28 LEU QD 1 33 PHE QE . . 3.540 2.427 1.755 3.015 . 0 0 "[ . 1 . 2]" 1
1413 1 28 LEU QD 1 33 PHE HZ . . 3.630 2.977 2.000 3.633 0.003 18 0 "[ . 1 . 2]" 1
1414 1 28 LEU QD 1 35 ARG H . . 4.450 3.463 2.096 4.053 . 0 0 "[ . 1 . 2]" 1
1415 1 28 LEU QD 1 35 ARG QB . . 3.870 3.000 1.844 3.562 . 0 0 "[ . 1 . 2]" 1
1416 1 28 LEU QD 1 35 ARG QD . . 4.340 3.461 2.693 4.207 . 0 0 "[ . 1 . 2]" 1
1417 1 29 VAL H 1 29 VAL QG . . 3.420 2.548 1.891 2.974 . 0 0 "[ . 1 . 2]" 1
1418 1 29 VAL QG 1 30 SER H . . 3.390 2.507 2.126 3.059 . 0 0 "[ . 1 . 2]" 1
1419 1 29 VAL QG 1 30 SER HA . . 4.570 3.599 3.336 4.001 . 0 0 "[ . 1 . 2]" 1
1420 1 29 VAL QG 1 34 VAL HA . . 3.970 3.355 3.061 3.898 . 0 0 "[ . 1 . 2]" 1
1421 1 29 VAL QG 1 34 VAL MG1 . . 3.120 2.190 1.786 2.600 . 0 0 "[ . 1 . 2]" 1
1422 1 29 VAL QG 1 34 VAL MG2 . . 3.210 2.029 1.778 2.517 . 0 0 "[ . 1 . 2]" 1
1423 1 29 VAL QG 1 110 THR HA . . 3.370 2.414 1.905 2.823 . 0 0 "[ . 1 . 2]" 1
1424 1 29 VAL QG 1 111 GLN H . . 3.750 3.208 2.934 3.541 . 0 0 "[ . 1 . 2]" 1
1425 1 29 VAL QG 1 111 GLN HG2 . . 3.570 2.975 2.569 3.533 . 0 0 "[ . 1 . 2]" 1
1426 1 29 VAL QG 1 111 GLN HG3 . . 3.430 2.575 2.041 2.947 . 0 0 "[ . 1 . 2]" 1
1427 1 29 VAL QG 1 111 GLN QE . . 3.740 3.309 2.290 3.750 0.010 20 0 "[ . 1 . 2]" 1
1428 1 30 SER H 1 30 SER QB . . 3.340 2.479 2.274 2.932 . 0 0 "[ . 1 . 2]" 1
1429 1 30 SER QB 1 31 SER H . . 3.540 2.769 1.942 3.474 . 0 0 "[ . 1 . 2]" 1
1430 1 30 SER QB 1 32 ARG H . . 3.650 2.675 2.154 3.103 . 0 0 "[ . 1 . 2]" 1
1431 1 30 SER QB 1 33 PHE H . . 3.400 2.160 1.886 3.278 . 0 0 "[ . 1 . 2]" 1
1432 1 30 SER QB 1 33 PHE QD . . 4.420 3.018 2.623 3.901 . 0 0 "[ . 1 . 2]" 1
1433 1 30 SER QB 1 33 PHE QE . . 4.060 2.945 2.557 3.561 . 0 0 "[ . 1 . 2]" 1
1434 1 30 SER QB 1 33 PHE HZ . . 4.640 3.250 2.751 4.032 . 0 0 "[ . 1 . 2]" 1
1435 1 31 SER H 1 31 SER QB . . 3.590 2.502 2.160 2.812 . 0 0 "[ . 1 . 2]" 1
1436 1 31 SER H 1 32 ARG QB . . 5.150 4.187 3.912 4.401 . 0 0 "[ . 1 . 2]" 1
1437 1 31 SER H 1 111 GLN QB . . 4.350 3.301 2.735 3.808 . 0 0 "[ . 1 . 2]" 1
1438 1 31 SER QB 1 32 ARG H . . 3.920 3.598 2.949 3.889 . 0 0 "[ . 1 . 2]" 1
1439 1 31 SER QB 1 32 ARG QB . . 4.950 4.258 3.648 4.860 . 0 0 "[ . 1 . 2]" 1
1440 1 31 SER QB 1 83 PRO QB . . 3.860 2.371 2.106 2.825 . 0 0 "[ . 1 . 2]" 1
1441 1 31 SER QB 1 83 PRO HG2 . . 5.280 5.091 4.755 5.286 0.006 20 0 "[ . 1 . 2]" 1
1442 1 31 SER QB 1 83 PRO HG3 . . 4.320 4.030 3.566 4.319 . 0 0 "[ . 1 . 2]" 1
1443 1 31 SER QB 1 111 GLN H . . 4.000 3.568 3.265 4.006 0.006 9 0 "[ . 1 . 2]" 1
1444 1 31 SER QB 1 111 GLN QB . . 4.120 2.458 1.968 3.511 . 0 0 "[ . 1 . 2]" 1
1445 1 31 SER QB 1 111 GLN HG3 . . 4.770 4.210 3.799 4.773 0.003 18 0 "[ . 1 . 2]" 1
1446 1 31 SER QB 1 113 GLU HA . . 3.800 3.301 2.176 3.795 . 0 0 "[ . 1 . 2]" 1
1447 1 31 SER QB 1 113 GLU QB . . 3.500 2.832 2.111 3.516 0.016 7 0 "[ . 1 . 2]" 1
1448 1 31 SER QB 1 113 GLU QG . . 3.970 3.290 1.825 3.973 0.003 17 0 "[ . 1 . 2]" 1
1449 1 32 ARG H 1 32 ARG QB . . 3.130 2.500 2.346 2.796 . 0 0 "[ . 1 . 2]" 1
1450 1 32 ARG H 1 32 ARG QG . . 4.150 4.015 2.629 4.162 0.012 3 0 "[ . 1 . 2]" 1
1451 1 32 ARG HA 1 32 ARG QD . . 4.620 3.432 2.339 4.239 . 0 0 "[ . 1 . 2]" 1
1452 1 32 ARG QB 1 32 ARG QD . . 3.170 2.212 2.069 2.548 . 0 0 "[ . 1 . 2]" 1
1453 1 32 ARG QB 1 33 PHE H . . 4.150 2.714 2.345 3.439 . 0 0 "[ . 1 . 2]" 1
1454 1 32 ARG QB 1 33 PHE QD . . 4.420 2.884 2.425 4.141 . 0 0 "[ . 1 . 2]" 1
1455 1 32 ARG QB 1 81 LEU H . . 4.440 4.336 3.284 4.446 0.006 13 0 "[ . 1 . 2]" 1
1456 1 32 ARG QG 1 33 PHE H . . 4.620 3.948 2.002 4.577 . 0 0 "[ . 1 . 2]" 1
1457 1 32 ARG QG 1 33 PHE QD . . 5.160 4.089 2.023 4.909 . 0 0 "[ . 1 . 2]" 1
1458 1 32 ARG QG 1 80 ASN H . . 4.530 3.060 2.338 4.494 . 0 0 "[ . 1 . 2]" 1
1459 1 32 ARG QG 1 81 LEU H . . 4.440 3.040 2.491 4.436 . 0 0 "[ . 1 . 2]" 1
1460 1 32 ARG QD 1 81 LEU H . . 5.280 4.072 2.228 5.280 0.000 19 0 "[ . 1 . 2]" 1
1461 1 33 PHE HA 1 79 GLY QA . . 4.380 2.053 1.990 2.240 . 0 0 "[ . 1 . 2]" 1
1462 1 33 PHE QB 1 34 VAL H . . 3.440 2.211 2.102 2.391 . 0 0 "[ . 1 . 2]" 1
1463 1 33 PHE QB 1 77 THR MG . . 3.400 2.360 1.955 2.746 . 0 0 "[ . 1 . 2]" 1
1464 1 33 PHE QB 1 79 GLY H . . 4.780 3.706 3.474 4.148 . 0 0 "[ . 1 . 2]" 1
1465 1 33 PHE QB 1 79 GLY QA . . 4.050 1.992 1.845 2.360 . 0 0 "[ . 1 . 2]" 1
1466 1 33 PHE QB 1 81 LEU MD1 . . 4.940 3.596 3.443 3.773 . 0 0 "[ . 1 . 2]" 1
1467 1 33 PHE QD 1 35 ARG QB . . 5.010 3.491 3.200 3.771 . 0 0 "[ . 1 . 2]" 1
1468 1 33 PHE QD 1 79 GLY QA . . 4.710 3.872 3.716 4.233 . 0 0 "[ . 1 . 2]" 1
1469 1 34 VAL H 1 79 GLY QA . . 4.530 3.478 3.222 3.722 . 0 0 "[ . 1 . 2]" 1
1470 1 35 ARG H 1 35 ARG QB . . 3.560 2.279 2.218 2.484 . 0 0 "[ . 1 . 2]" 1
1471 1 35 ARG QB 1 35 ARG QD . . 3.320 2.175 2.026 2.357 . 0 0 "[ . 1 . 2]" 1
1472 1 35 ARG QB 1 36 LEU H . . 4.210 3.537 3.417 3.726 . 0 0 "[ . 1 . 2]" 1
1473 1 37 SER H 1 37 SER QB . . 3.480 2.566 2.469 2.873 . 0 0 "[ . 1 . 2]" 1
1474 1 37 SER QB 1 38 TRP H . . 3.880 3.603 3.171 3.780 . 0 0 "[ . 1 . 2]" 1
1475 1 37 SER QB 1 75 GLN HA . . 4.370 4.084 3.598 4.353 . 0 0 "[ . 1 . 2]" 1
1476 1 37 SER QB 1 75 GLN QB . . 4.410 3.816 3.463 4.203 . 0 0 "[ . 1 . 2]" 1
1477 1 37 SER QB 1 75 GLN QG . . 3.610 2.314 1.985 2.778 . 0 0 "[ . 1 . 2]" 1
1478 1 37 SER QB 1 75 GLN QE . . 4.450 3.124 2.226 4.342 . 0 0 "[ . 1 . 2]" 1
1479 1 38 TRP H 1 74 LEU QB . . 3.490 2.928 2.507 3.288 . 0 0 "[ . 1 . 2]" 1
1480 1 38 TRP H 1 74 LEU QD . . 5.440 4.286 3.455 4.711 . 0 0 "[ . 1 . 2]" 1
1481 1 38 TRP HD1 1 74 LEU QD . . 3.820 2.828 2.318 3.568 . 0 0 "[ . 1 . 2]" 1
1482 1 38 TRP HE1 1 74 LEU QD . . 3.570 2.111 1.860 2.859 . 0 0 "[ . 1 . 2]" 1
1483 1 38 TRP HZ3 1 76 LEU QB . . 4.210 2.972 2.508 3.339 . 0 0 "[ . 1 . 2]" 1
1484 1 38 TRP HZ2 1 51 PHE QB . . 3.720 2.224 1.943 2.597 . 0 0 "[ . 1 . 2]" 1
1485 1 38 TRP HH2 1 76 LEU QB . . 3.650 2.012 1.782 2.306 . 0 0 "[ . 1 . 2]" 1
1486 1 39 ARG QD 1 42 ALA MB . . 4.700 4.501 3.926 4.703 0.003 13 0 "[ . 1 . 2]" 1
1487 1 40 PRO QB 1 51 PHE HZ . . 3.880 3.643 3.387 3.847 . 0 0 "[ . 1 . 2]" 1
1488 1 40 PRO QB 1 74 LEU HG . . 4.170 2.834 2.109 3.377 . 0 0 "[ . 1 . 2]" 1
1489 1 40 PRO QB 1 74 LEU QD . . 3.800 1.894 1.620 2.400 . 0 0 "[ . 1 . 2]" 1
1490 1 40 PRO QG 1 74 LEU QD . . 3.220 2.323 1.959 2.930 . 0 0 "[ . 1 . 2]" 1
1491 1 40 PRO HD2 1 74 LEU QD . . 3.700 3.507 2.849 3.814 0.114 19 0 "[ . 1 . 2]" 1
1492 1 40 PRO HD3 1 74 LEU QB . . 4.260 3.339 2.898 3.806 . 0 0 "[ . 1 . 2]" 1
1493 1 40 PRO HD3 1 74 LEU QD . . 3.750 2.240 1.656 2.562 . 0 0 "[ . 1 . 2]" 1
1494 1 41 PRO QB 1 42 ALA H . . 3.970 3.463 2.913 3.798 . 0 0 "[ . 1 . 2]" 1
1495 1 41 PRO QB 1 43 GLU H . . 3.970 3.132 2.670 3.744 . 0 0 "[ . 1 . 2]" 1
1496 1 41 PRO QB 1 44 ALA HA . . 5.340 3.335 2.915 3.721 . 0 0 "[ . 1 . 2]" 1
1497 1 41 PRO QB 1 44 ALA MB . . 5.180 3.443 2.748 3.884 . 0 0 "[ . 1 . 2]" 1
1498 1 41 PRO QD 1 44 ALA MB . . 5.060 4.360 3.824 4.875 . 0 0 "[ . 1 . 2]" 1
1499 1 41 PRO QD 1 48 ILE MD . . 3.810 2.874 2.554 3.218 . 0 0 "[ . 1 . 2]" 1
1500 1 41 PRO QD 1 51 PHE QE . . 4.360 2.608 1.985 2.997 . 0 0 "[ . 1 . 2]" 1
1501 1 41 PRO QD 1 51 PHE HZ . . 3.850 2.088 1.839 2.414 . 0 0 "[ . 1 . 2]" 1
1502 1 41 PRO QD 1 74 LEU QD . . 5.090 2.878 2.460 3.287 . 0 0 "[ . 1 . 2]" 1
1503 1 41 PRO QD 1 93 ALA MB . . 4.910 3.406 3.084 3.926 . 0 0 "[ . 1 . 2]" 1
1504 1 42 ALA MB 1 43 GLU QB . . 4.640 3.771 3.620 4.078 . 0 0 "[ . 1 . 2]" 1
1505 1 42 ALA MB 1 43 GLU QG . . 3.570 2.852 2.399 3.229 . 0 0 "[ . 1 . 2]" 1
1506 1 43 GLU H 1 43 GLU QB . . 3.290 2.512 2.307 3.194 . 0 0 "[ . 1 . 2]" 1
1507 1 43 GLU H 1 43 GLU QG . . 3.780 3.077 2.132 3.355 . 0 0 "[ . 1 . 2]" 1
1508 1 43 GLU HA 1 43 GLU QG . . 3.740 2.434 2.138 3.432 . 0 0 "[ . 1 . 2]" 1
1509 1 43 GLU HA 1 45 LYS QE . . 4.200 3.412 2.044 4.197 . 0 0 "[ . 1 . 2]" 1
1510 1 43 GLU QB 1 44 ALA H . . 4.460 3.601 2.909 3.910 . 0 0 "[ . 1 . 2]" 1
1511 1 43 GLU QB 1 45 LYS H . . 5.180 3.693 2.843 4.388 . 0 0 "[ . 1 . 2]" 1
1512 1 43 GLU QB 1 45 LYS QG . . 5.180 3.387 2.357 4.624 . 0 0 "[ . 1 . 2]" 1
1513 1 43 GLU QB 1 45 LYS QE . . 3.580 2.104 1.913 2.551 . 0 0 "[ . 1 . 2]" 1
1514 1 43 GLU QG 1 45 LYS QE . . 4.110 3.154 2.303 3.899 . 0 0 "[ . 1 . 2]" 1
1515 1 44 ALA MB 1 46 GLY QA . . 5.050 4.066 3.941 4.241 . 0 0 "[ . 1 . 2]" 1
1516 1 44 ALA MB 1 95 ASN QB . . 4.610 3.452 2.889 3.947 . 0 0 "[ . 1 . 2]" 1
1517 1 45 LYS H 1 45 LYS QG . . 3.950 2.947 2.340 3.789 . 0 0 "[ . 1 . 2]" 1
1518 1 45 LYS H 1 45 LYS QD . . 5.210 3.580 2.544 4.930 . 0 0 "[ . 1 . 2]" 1
1519 1 45 LYS H 1 45 LYS QE . . 4.720 2.680 1.865 4.119 . 0 0 "[ . 1 . 2]" 1
1520 1 45 LYS HA 1 45 LYS QG . . 3.590 2.620 2.137 2.987 . 0 0 "[ . 1 . 2]" 1
1521 1 45 LYS HA 1 45 LYS QD . . 4.020 2.914 2.200 4.040 0.020 3 0 "[ . 1 . 2]" 1
1522 1 45 LYS HA 1 45 LYS QE . . 4.700 2.804 1.985 4.229 . 0 0 "[ . 1 . 2]" 1
1523 1 45 LYS QB 1 45 LYS QD . . 3.340 2.171 2.038 2.263 . 0 0 "[ . 1 . 2]" 1
1524 1 45 LYS QB 1 95 ASN QD . . 4.270 3.496 2.754 4.272 0.002 19 0 "[ . 1 . 2]" 1
1525 1 45 LYS QB 1 97 TRP HD1 . . 4.180 3.269 2.684 3.949 . 0 0 "[ . 1 . 2]" 1
1526 1 45 LYS QB 1 97 TRP HE1 . . 3.940 2.884 2.008 3.945 0.005 14 0 "[ . 1 . 2]" 1
1527 1 45 LYS QE 1 45 LYS QG . . 3.210 2.221 2.033 2.606 . 0 0 "[ . 1 . 2]" 1
1528 1 47 ASN H 1 47 ASN QB . . 3.520 2.813 2.469 3.326 . 0 0 "[ . 1 . 2]" 1
1529 1 47 ASN H 1 47 ASN QD . . 5.050 4.320 2.346 4.982 . 0 0 "[ . 1 . 2]" 1
1530 1 47 ASN QB 1 47 ASN QD . . 3.030 2.209 2.063 2.474 . 0 0 "[ . 1 . 2]" 1
1531 1 47 ASN QB 1 49 GLN QE . . 3.630 3.214 2.811 3.594 . 0 0 "[ . 1 . 2]" 1
1532 1 48 ILE HA 1 95 ASN QB . . 4.530 2.870 2.616 3.489 . 0 0 "[ . 1 . 2]" 1
1533 1 48 ILE MD 1 95 ASN QB . . 3.770 3.462 2.539 3.771 0.001 10 0 "[ . 1 . 2]" 1
1534 1 49 GLN H 1 49 GLN QG . . 3.900 2.575 1.951 3.440 . 0 0 "[ . 1 . 2]" 1
1535 1 49 GLN HA 1 49 GLN QG . . 3.580 2.941 2.618 3.095 . 0 0 "[ . 1 . 2]" 1
1536 1 49 GLN HA 1 49 GLN QE . . 4.490 2.797 2.076 3.874 . 0 0 "[ . 1 . 2]" 1
1537 1 49 GLN QB 1 49 GLN QE . . 3.980 3.418 2.799 3.716 . 0 0 "[ . 1 . 2]" 1
1538 1 49 GLN QB 1 50 THR H . . 3.540 2.296 2.020 2.519 . 0 0 "[ . 1 . 2]" 1
1539 1 49 GLN QG 1 50 THR MG . . 4.640 4.402 4.062 4.623 . 0 0 "[ . 1 . 2]" 1
1540 1 49 GLN QG 1 95 ASN HA . . 4.550 3.809 2.874 4.534 . 0 0 "[ . 1 . 2]" 1
1541 1 49 GLN QG 1 96 GLU HA . . 5.090 4.315 3.860 4.878 . 0 0 "[ . 1 . 2]" 1
1542 1 50 THR H 1 94 TYR QB . . 4.150 3.514 3.086 3.817 . 0 0 "[ . 1 . 2]" 1
1543 1 50 THR MG 1 67 ASN QB . . 3.810 1.992 1.763 2.269 . 0 0 "[ . 1 . 2]" 1
1544 1 50 THR MG 1 94 TYR QB . . 3.510 3.347 2.952 3.485 . 0 0 "[ . 1 . 2]" 1
1545 1 51 PHE H 1 51 PHE QB . . 3.610 2.410 2.330 2.511 . 0 0 "[ . 1 . 2]" 1
1546 1 51 PHE QB 1 52 THR H . . 3.670 3.216 2.913 3.436 . 0 0 "[ . 1 . 2]" 1
1547 1 51 PHE QB 1 69 THR MG . . 3.450 2.405 1.957 2.807 . 0 0 "[ . 1 . 2]" 1
1548 1 51 PHE QB 1 91 VAL MG1 . . 3.640 2.730 2.342 2.979 . 0 0 "[ . 1 . 2]" 1
1549 1 51 PHE QE 1 74 LEU QD . . 3.860 2.645 2.041 3.490 . 0 0 "[ . 1 . 2]" 1
1550 1 51 PHE HZ 1 74 LEU QD . . 3.970 2.556 2.069 3.314 . 0 0 "[ . 1 . 2]" 1
1551 1 53 VAL HB 1 76 LEU QB . . 5.340 4.356 4.019 4.920 . 0 0 "[ . 1 . 2]" 1
1552 1 53 VAL MG2 1 76 LEU QB . . 3.640 2.798 2.436 3.188 . 0 0 "[ . 1 . 2]" 1
1553 1 54 PHE H 1 54 PHE QB . . 3.540 2.432 2.290 2.636 . 0 0 "[ . 1 . 2]" 1
1554 1 54 PHE HA 1 63 GLU QB . . 5.340 4.632 3.984 5.355 0.015 20 0 "[ . 1 . 2]" 1
1555 1 54 PHE HA 1 63 GLU QG . . 5.340 4.241 3.246 5.341 0.001 18 0 "[ . 1 . 2]" 1
1556 1 54 PHE QB 1 55 PHE H . . 3.670 2.664 2.411 3.080 . 0 0 "[ . 1 . 2]" 1
1557 1 54 PHE QB 1 63 GLU QB . . 4.380 3.063 1.979 4.342 . 0 0 "[ . 1 . 2]" 1
1558 1 54 PHE QB 1 63 GLU QG . . 4.450 2.470 1.971 3.344 . 0 0 "[ . 1 . 2]" 1
1559 1 54 PHE QB 1 90 ARG QG . . 3.990 2.663 1.909 3.679 . 0 0 "[ . 1 . 2]" 1
1560 1 54 PHE QD 1 63 GLU QB . . 4.170 3.360 2.144 4.148 . 0 0 "[ . 1 . 2]" 1
1561 1 54 PHE QD 1 63 GLU QG . . 4.770 2.945 1.922 4.338 . 0 0 "[ . 1 . 2]" 1
1562 1 55 PHE H 1 63 GLU QB . . 4.370 3.527 2.804 4.429 0.059 20 0 "[ . 1 . 2]" 1
1563 1 55 PHE H 1 64 ARG QB . . 4.680 3.340 2.765 4.422 . 0 0 "[ . 1 . 2]" 1
1564 1 55 PHE QD 1 66 LEU QD . . 5.260 4.458 3.955 4.957 . 0 0 "[ . 1 . 2]" 1
1565 1 55 PHE QE 1 64 ARG QB . . 4.110 2.783 2.041 3.290 . 0 0 "[ . 1 . 2]" 1
1566 1 55 PHE QE 1 66 LEU QD . . 4.050 3.196 2.693 3.705 . 0 0 "[ . 1 . 2]" 1
1567 1 55 PHE HZ 1 66 LEU QD . . 4.350 3.458 2.913 3.894 . 0 0 "[ . 1 . 2]" 1
1568 1 56 SER H 1 63 GLU QG . . 5.340 4.602 3.203 5.353 0.013 13 0 "[ . 1 . 2]" 1
1569 1 56 SER QB 1 60 ASP QB . . 3.980 3.096 1.990 3.950 . 0 0 "[ . 1 . 2]" 1
1570 1 56 SER QB 1 63 GLU QB . . 4.110 2.598 1.792 3.690 . 0 0 "[ . 1 . 2]" 1
1571 1 56 SER QB 1 63 GLU QG . . 3.840 2.900 1.976 3.838 . 0 0 "[ . 1 . 2]" 1
1572 1 57 ARG H 1 57 ARG QG . . 4.140 3.959 3.890 4.051 . 0 0 "[ . 1 . 2]" 1
1573 1 57 ARG QB 1 60 ASP QB . . 4.240 2.849 2.194 3.390 . 0 0 "[ . 1 . 2]" 1
1574 1 57 ARG QG 1 58 GLU H . . 3.610 2.358 1.972 2.785 . 0 0 "[ . 1 . 2]" 1
1575 1 57 ARG QG 1 85 ALA MB . . 3.900 3.446 2.644 3.903 0.003 19 0 "[ . 1 . 2]" 1
1576 1 57 ARG QG 1 87 TYR QE . . 4.370 3.310 2.166 4.209 . 0 0 "[ . 1 . 2]" 1
1577 1 57 ARG QD 1 82 LYS QB . . 4.460 4.005 3.137 4.464 0.004 5 0 "[ . 1 . 2]" 1
1578 1 57 ARG QD 1 82 LYS QD . . 4.140 3.902 3.558 4.144 0.004 18 0 "[ . 1 . 2]" 1
1579 1 58 GLU H 1 58 GLU QB . . 3.040 2.219 2.122 2.817 . 0 0 "[ . 1 . 2]" 1
1580 1 58 GLU QG 1 86 MET QG . . 4.360 3.290 1.969 4.264 . 0 0 "[ . 1 . 2]" 1
1581 1 60 ASP QB 1 62 ARG H . . 3.770 3.267 2.205 3.763 . 0 0 "[ . 1 . 2]" 1
1582 1 61 ASN QB 1 62 ARG H . . 4.330 2.831 2.288 4.000 . 0 0 "[ . 1 . 2]" 1
1583 1 62 ARG QB 1 62 ARG QD . . 3.370 2.205 2.044 2.521 . 0 0 "[ . 1 . 2]" 1
1584 1 63 GLU H 1 63 GLU QB . . 3.580 2.711 2.255 3.187 . 0 0 "[ . 1 . 2]" 1
1585 1 63 GLU H 1 63 GLU QG . . 4.720 3.431 2.446 4.346 . 0 0 "[ . 1 . 2]" 1
1586 1 63 GLU QB 1 64 ARG H . . 3.970 2.967 2.534 3.808 . 0 0 "[ . 1 . 2]" 1
1587 1 63 GLU QG 1 64 ARG H . . 3.930 3.322 2.664 3.768 . 0 0 "[ . 1 . 2]" 1
1588 1 64 ARG H 1 64 ARG QB . . 3.390 2.359 2.169 2.626 . 0 0 "[ . 1 . 2]" 1
1589 1 64 ARG QB 1 64 ARG QD . . 3.240 2.108 2.008 2.239 . 0 0 "[ . 1 . 2]" 1
1590 1 64 ARG QB 1 65 ALA H . . 3.050 2.232 2.010 2.686 . 0 0 "[ . 1 . 2]" 1
1591 1 66 LEU H 1 66 LEU QD . . 4.670 3.961 3.675 4.155 . 0 0 "[ . 1 . 2]" 1
1592 1 66 LEU HA 1 66 LEU QD . . 3.500 2.380 2.026 3.130 . 0 0 "[ . 1 . 2]" 1
1593 1 66 LEU QD 1 67 ASN H . . 3.680 3.065 2.588 3.570 . 0 0 "[ . 1 . 2]" 1
1594 1 66 LEU QD 1 76 LEU MD2 . . 3.700 2.459 1.866 3.094 . 0 0 "[ . 1 . 2]" 1
1595 1 66 LEU QD 1 78 VAL HA . . 3.490 2.912 2.018 3.309 . 0 0 "[ . 1 . 2]" 1
1596 1 66 LEU QD 1 78 VAL MG1 . . 3.240 2.784 2.380 3.119 . 0 0 "[ . 1 . 2]" 1
1597 1 66 LEU QD 1 78 VAL MG2 . . 3.590 2.526 1.945 3.032 . 0 0 "[ . 1 . 2]" 1
1598 1 66 LEU QD 1 79 GLY H . . 4.090 3.718 2.986 4.088 . 0 0 "[ . 1 . 2]" 1
1599 1 67 ASN H 1 67 ASN QB . . 3.140 2.912 2.498 3.098 . 0 0 "[ . 1 . 2]" 1
1600 1 67 ASN QB 1 68 THR H . . 3.800 3.582 3.502 3.641 . 0 0 "[ . 1 . 2]" 1
1601 1 69 THR MG 1 73 SER QB . . 4.240 4.103 3.721 4.273 0.033 16 0 "[ . 1 . 2]" 1
1602 1 70 GLN HA 1 71 PRO QG . . 4.650 4.048 3.896 4.092 . 0 0 "[ . 1 . 2]" 1
1603 1 70 GLN QB 1 71 PRO HD2 . . 3.300 2.098 1.979 3.274 . 0 0 "[ . 1 . 2]" 1
1604 1 70 GLN QB 1 71 PRO HD3 . . 4.330 3.435 3.349 4.167 . 0 0 "[ . 1 . 2]" 1
1605 1 70 GLN QB 1 73 SER H . . 4.310 3.421 2.899 4.111 . 0 0 "[ . 1 . 2]" 1
1606 1 70 GLN QB 1 73 SER QB . . 3.610 2.225 1.935 2.780 . 0 0 "[ . 1 . 2]" 1
1607 1 70 GLN QG 1 73 SER QB . . 4.800 4.027 3.611 4.379 . 0 0 "[ . 1 . 2]" 1
1608 1 71 PRO QB 1 72 GLY H . . 4.120 3.829 3.323 3.903 . 0 0 "[ . 1 . 2]" 1
1609 1 73 SER H 1 73 SER QB . . 3.050 2.519 2.192 2.830 . 0 0 "[ . 1 . 2]" 1
1610 1 73 SER QB 1 74 LEU H . . 3.640 3.389 3.018 3.667 0.027 15 0 "[ . 1 . 2]" 1
1611 1 73 SER QB 1 75 GLN H . . 3.770 2.905 2.465 3.562 . 0 0 "[ . 1 . 2]" 1
1612 1 74 LEU H 1 74 LEU QB . . 3.450 2.393 2.248 2.560 . 0 0 "[ . 1 . 2]" 1
1613 1 74 LEU HA 1 74 LEU QD . . 3.050 2.248 1.908 3.073 0.023 16 0 "[ . 1 . 2]" 1
1614 1 74 LEU QB 1 75 GLN H . . 4.350 3.658 3.220 3.814 . 0 0 "[ . 1 . 2]" 1
1615 1 74 LEU QD 1 75 GLN H . . 5.230 3.997 3.806 4.431 . 0 0 "[ . 1 . 2]" 1
1616 1 75 GLN H 1 75 GLN QB . . 3.340 2.553 2.348 2.721 . 0 0 "[ . 1 . 2]" 1
1617 1 75 GLN QB 1 76 LEU H . . 3.500 3.090 2.941 3.180 . 0 0 "[ . 1 . 2]" 1
1618 1 76 LEU H 1 76 LEU QB . . 3.510 2.555 2.396 2.645 . 0 0 "[ . 1 . 2]" 1
1619 1 76 LEU QB 1 76 LEU MD2 . . 2.940 2.055 1.990 2.097 . 0 0 "[ . 1 . 2]" 1
1620 1 76 LEU QB 1 78 VAL MG2 . . 5.180 3.792 3.599 3.971 . 0 0 "[ . 1 . 2]" 1
1621 1 79 GLY QA 1 80 ASN H . . 3.030 2.259 2.214 2.277 . 0 0 "[ . 1 . 2]" 1
1622 1 79 GLY QA 1 81 LEU H . . 4.100 3.644 3.472 3.751 . 0 0 "[ . 1 . 2]" 1
1623 1 80 ASN H 1 80 ASN QB . . 3.640 3.229 2.873 3.460 . 0 0 "[ . 1 . 2]" 1
1624 1 80 ASN QB 1 81 LEU H . . 4.410 3.923 3.889 3.989 . 0 0 "[ . 1 . 2]" 1
1625 1 81 LEU H 1 81 LEU QB . . 3.400 2.661 2.487 2.842 . 0 0 "[ . 1 . 2]" 1
1626 1 81 LEU QB 1 81 LEU MD2 . . 3.200 2.200 2.059 2.345 . 0 0 "[ . 1 . 2]" 1
1627 1 81 LEU QB 1 82 LYS H . . 3.250 2.517 1.999 3.181 . 0 0 "[ . 1 . 2]" 1
1628 1 81 LEU MD1 1 87 TYR QB . . 5.130 3.787 3.393 4.164 . 0 0 "[ . 1 . 2]" 1
1629 1 81 LEU MD2 1 87 TYR QB . . 5.340 3.546 3.046 3.955 . 0 0 "[ . 1 . 2]" 1
1630 1 82 LYS H 1 82 LYS QB . . 3.300 2.346 2.141 2.495 . 0 0 "[ . 1 . 2]" 1
1631 1 82 LYS H 1 82 LYS QG . . 4.780 4.014 3.878 4.159 . 0 0 "[ . 1 . 2]" 1
1632 1 82 LYS H 1 82 LYS QD . . 4.850 4.403 4.131 4.611 . 0 0 "[ . 1 . 2]" 1
1633 1 82 LYS QB 1 82 LYS QD . . 3.300 2.102 2.044 2.163 . 0 0 "[ . 1 . 2]" 1
1634 1 82 LYS QB 1 82 LYS QE . . 4.090 3.458 2.430 3.684 . 0 0 "[ . 1 . 2]" 1
1635 1 82 LYS QB 1 83 PRO QD . . 3.880 3.240 3.093 3.410 . 0 0 "[ . 1 . 2]" 1
1636 1 82 LYS QB 1 85 ALA MB . . 3.510 2.826 2.492 3.277 . 0 0 "[ . 1 . 2]" 1
1637 1 82 LYS QE 1 82 LYS QG . . 3.070 2.180 2.064 2.381 . 0 0 "[ . 1 . 2]" 1
1638 1 82 LYS QG 1 83 PRO HG2 . . 4.070 3.205 2.960 3.873 . 0 0 "[ . 1 . 2]" 1
1639 1 82 LYS QG 1 83 PRO QD . . 3.510 1.910 1.808 2.069 . 0 0 "[ . 1 . 2]" 1
1640 1 82 LYS QG 1 85 ALA MB . . 4.410 3.477 3.157 4.048 . 0 0 "[ . 1 . 2]" 1
1641 1 82 LYS QD 1 85 ALA MB . . 4.440 2.917 2.222 4.449 0.009 20 0 "[ . 1 . 2]" 1
1642 1 83 PRO QB 1 84 GLU HA . . 5.310 4.450 4.337 4.531 . 0 0 "[ . 1 . 2]" 1
1643 1 83 PRO QB 1 85 ALA H . . 5.240 4.996 4.675 5.167 . 0 0 "[ . 1 . 2]" 1
1644 1 83 PRO QB 1 112 PRO HA . . 4.090 3.351 2.805 3.682 . 0 0 "[ . 1 . 2]" 1
1645 1 83 PRO QB 1 113 GLU H . . 3.810 2.644 2.139 3.808 . 0 0 "[ . 1 . 2]" 1
1646 1 83 PRO QB 1 113 GLU QG . . 4.040 2.923 1.937 3.865 . 0 0 "[ . 1 . 2]" 1
1647 1 83 PRO QD 1 113 GLU QG . . 5.350 4.254 3.522 4.792 . 0 0 "[ . 1 . 2]" 1
1648 1 84 GLU H 1 84 GLU QB . . 3.690 3.300 3.120 3.438 . 0 0 "[ . 1 . 2]" 1
1649 1 84 GLU H 1 84 GLU QG . . 4.080 2.757 2.463 3.061 . 0 0 "[ . 1 . 2]" 1
1650 1 84 GLU QB 1 112 PRO HA . . 4.310 4.164 3.822 4.314 0.004 15 0 "[ . 1 . 2]" 1
1651 1 84 GLU QG 1 112 PRO HA . . 3.440 2.127 1.943 2.332 . 0 0 "[ . 1 . 2]" 1
1652 1 86 MET H 1 86 MET QG . . 4.290 3.940 2.500 4.100 . 0 0 "[ . 1 . 2]" 1
1653 1 86 MET ME 1 86 MET QG . . 3.420 2.164 2.000 2.633 . 0 0 "[ . 1 . 2]" 1
1654 1 86 MET QG 1 87 TYR H . . 4.080 2.697 2.311 3.665 . 0 0 "[ . 1 . 2]" 1
1655 1 86 MET QG 1 107 LYS HA . . 5.080 3.917 3.486 4.304 . 0 0 "[ . 1 . 2]" 1
1656 1 86 MET QG 1 107 LYS HB3 . . 3.840 2.899 2.307 3.408 . 0 0 "[ . 1 . 2]" 1
1657 1 86 MET QG 1 107 LYS QG . . 4.080 3.273 2.579 3.971 . 0 0 "[ . 1 . 2]" 1
1658 1 86 MET QG 1 107 LYS QD . . 3.600 2.837 1.838 3.603 0.003 13 0 "[ . 1 . 2]" 1
1659 1 86 MET QG 1 107 LYS QE . . 4.060 2.983 2.034 3.849 . 0 0 "[ . 1 . 2]" 1
1660 1 86 MET QG 1 109 ALA MB . . 4.290 3.719 3.224 4.267 . 0 0 "[ . 1 . 2]" 1
1661 1 87 TYR H 1 87 TYR QB . . 3.520 2.583 2.417 2.751 . 0 0 "[ . 1 . 2]" 1
1662 1 87 TYR QB 1 88 THR H . . 3.570 2.960 2.453 3.322 . 0 0 "[ . 1 . 2]" 1
1663 1 87 TYR QB 1 89 PHE QD . . 4.280 3.504 3.261 3.737 . 0 0 "[ . 1 . 2]" 1
1664 1 87 TYR QB 1 89 PHE QE . . 3.280 2.021 1.855 2.264 . 0 0 "[ . 1 . 2]" 1
1665 1 87 TYR QB 1 89 PHE HZ . . 4.240 2.986 2.367 3.486 . 0 0 "[ . 1 . 2]" 1
1666 1 90 ARG H 1 90 ARG QG . . 3.550 2.822 2.334 3.318 . 0 0 "[ . 1 . 2]" 1
1667 1 90 ARG QB 1 91 VAL H . . 3.940 2.851 2.223 3.292 . 0 0 "[ . 1 . 2]" 1
1668 1 90 ARG QG 1 91 VAL H . . 5.130 4.034 3.725 4.296 . 0 0 "[ . 1 . 2]" 1
1669 1 91 VAL H 1 103 SER QB . . 4.040 3.607 2.103 4.040 . 0 0 "[ . 1 . 2]" 1
1670 1 92 VAL MG1 1 99 PRO QB . . 3.320 2.522 1.845 2.952 . 0 0 "[ . 1 . 2]" 1
1671 1 92 VAL MG2 1 102 SER QB . . 3.730 2.752 2.170 3.436 . 0 0 "[ . 1 . 2]" 1
1672 1 94 TYR H 1 94 TYR QB . . 3.520 2.383 2.263 2.515 . 0 0 "[ . 1 . 2]" 1
1673 1 94 TYR QD 1 99 PRO QD . . 4.440 2.762 2.303 3.166 . 0 0 "[ . 1 . 2]" 1
1674 1 94 TYR QE 1 99 PRO QB . . 3.990 2.653 2.379 2.819 . 0 0 "[ . 1 . 2]" 1
1675 1 94 TYR QE 1 99 PRO QG . . 4.560 2.647 2.159 3.147 . 0 0 "[ . 1 . 2]" 1
1676 1 95 ASN H 1 95 ASN QB . . 3.550 2.700 2.483 2.834 . 0 0 "[ . 1 . 2]" 1
1677 1 95 ASN QB 1 96 GLU H . . 3.340 2.226 2.006 2.374 . 0 0 "[ . 1 . 2]" 1
1678 1 95 ASN QD 1 97 TRP HD1 . . 3.660 2.228 1.909 3.149 . 0 0 "[ . 1 . 2]" 1
1679 1 96 GLU H 1 96 GLU QB . . 3.560 2.286 2.128 2.526 . 0 0 "[ . 1 . 2]" 1
1680 1 96 GLU H 1 96 GLU QG . . 4.060 3.407 2.175 4.065 0.005 16 0 "[ . 1 . 2]" 1
1681 1 96 GLU QB 1 97 TRP H . . 3.970 2.309 1.904 3.361 . 0 0 "[ . 1 . 2]" 1
1682 1 98 GLY H 1 99 PRO QD . . 4.700 4.301 4.218 4.341 . 0 0 "[ . 1 . 2]" 1
1683 1 98 GLY HA2 1 99 PRO QG . . 4.890 4.494 4.379 4.582 . 0 0 "[ . 1 . 2]" 1
1684 1 98 GLY HA2 1 99 PRO QD . . 3.530 2.584 2.462 2.680 . 0 0 "[ . 1 . 2]" 1
1685 1 99 PRO QB 1 100 GLY H . . 3.810 3.521 2.983 3.718 . 0 0 "[ . 1 . 2]" 1
1686 1 100 GLY QA 1 101 GLU H . . 2.880 2.160 2.110 2.231 . 0 0 "[ . 1 . 2]" 1
1687 1 100 GLY QA 1 101 GLU QB . . 4.680 3.950 3.864 4.038 . 0 0 "[ . 1 . 2]" 1
1688 1 101 GLU H 1 101 GLU QB . . 3.050 2.217 2.150 2.281 . 0 0 "[ . 1 . 2]" 1
1689 1 101 GLU QB 1 102 SER H . . 3.670 3.300 2.725 3.676 0.006 10 0 "[ . 1 . 2]" 1
1690 1 102 SER H 1 102 SER QB . . 3.090 2.596 2.315 2.840 . 0 0 "[ . 1 . 2]" 1
1691 1 102 SER QB 1 103 SER H . . 3.830 2.995 2.476 3.655 . 0 0 "[ . 1 . 2]" 1
1692 1 103 SER H 1 103 SER QB . . 3.500 2.515 2.301 2.724 . 0 0 "[ . 1 . 2]" 1
1693 1 103 SER QB 1 104 GLN H . . 3.330 2.379 2.141 2.694 . 0 0 "[ . 1 . 2]" 1
1694 1 104 GLN H 1 104 GLN QB . . 3.120 2.249 2.152 2.364 . 0 0 "[ . 1 . 2]" 1
1695 1 104 GLN QG 1 105 PRO QG . . 4.950 3.424 2.966 4.819 . 0 0 "[ . 1 . 2]" 1
1696 1 104 GLN QG 1 105 PRO QD . . 3.680 2.121 1.805 3.141 . 0 0 "[ . 1 . 2]" 1
1697 1 105 PRO QB 1 106 ILE H . . 3.620 3.386 3.020 3.571 . 0 0 "[ . 1 . 2]" 1
1698 1 111 GLN H 1 111 GLN QB . . 3.410 2.523 2.449 2.620 . 0 0 "[ . 1 . 2]" 1
1699 1 111 GLN HA 1 112 PRO QG . . 4.600 3.964 3.903 3.993 . 0 0 "[ . 1 . 2]" 1
1700 1 111 GLN QB 1 112 PRO HD2 . . 3.330 2.085 1.980 2.310 . 0 0 "[ . 1 . 2]" 1
1701 1 111 GLN QB 1 112 PRO HD3 . . 4.580 3.425 3.327 3.604 . 0 0 "[ . 1 . 2]" 1
1702 1 112 PRO QB 1 113 GLU H . . 3.790 3.579 3.095 3.795 0.005 16 0 "[ . 1 . 2]" 1
1703 1 113 GLU H 1 113 GLU QB . . 3.180 2.465 2.143 3.181 0.001 20 0 "[ . 1 . 2]" 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 10
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 1.103
_Distance_constraint_stats_list.Viol_max 0.024
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0079
_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 0.035 0.024 7 0 "[ . 1 . 2]"
1 23 ASP 0.036 0.024 7 0 "[ . 1 . 2]"
1 24 VAL 0.002 0.002 6 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.001 0.001 11 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.018 0.007 6 0 "[ . 1 . 2]"
1 102 SER 0.018 0.007 6 0 "[ . 1 . 2]"
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 47 ASN HA 1 48 ILE H . . 2.300 2.161 2.140 2.216 . 0 0 "[ . 1 . 2]" 2
2 1 80 ASN H 1 80 ASN HA . . 2.300 2.278 2.274 2.282 . 0 0 "[ . 1 . 2]" 2
3 1 95 ASN HA 1 96 GLU H . . 2.700 2.600 2.486 2.657 . 0 0 "[ . 1 . 2]" 2
4 1 43 GLU HA 1 44 ALA H . . 2.700 2.275 2.139 2.643 . 0 0 "[ . 1 . 2]" 2
5 1 101 GLU HA 1 102 SER H . . 2.300 2.194 2.143 2.307 0.007 6 0 "[ . 1 . 2]" 2
6 1 22 ARG HA 1 23 ASP H . . 2.600 2.414 2.210 2.624 0.024 7 0 "[ . 1 . 2]" 2
7 1 58 GLU HA 1 59 GLY H . . 2.300 2.194 2.144 2.291 . 0 0 "[ . 1 . 2]" 2
8 1 45 LYS H 1 45 LYS HA . . 2.300 2.279 2.273 2.301 0.001 11 0 "[ . 1 . 2]" 2
9 1 23 ASP HA 1 24 VAL H . . 2.300 2.200 2.139 2.302 0.002 6 0 "[ . 1 . 2]" 2
10 1 41 PRO HA 1 42 ALA H . . 2.400 2.200 2.151 2.288 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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