NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415659 |
2dbj   |
10300 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dbj
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 1996
_Distance_constraint_stats_list.Viol_count 760
_Distance_constraint_stats_list.Viol_total 415.153
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0273
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TRP 0.014 0.014 2 0 "[ . 1 . 2]"
1 9 ILE 0.027 0.027 1 0 "[ . 1 . 2]"
1 10 LEU 0.027 0.027 1 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.043 0.038 3 0 "[ . 1 . 2]"
1 15 GLU 0.043 0.038 3 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.123 0.017 1 0 "[ . 1 . 2]"
1 18 PRO 8.207 0.195 6 0 "[ . 1 . 2]"
1 19 SER 8.933 0.195 6 0 "[ . 1 . 2]"
1 20 VAL 0.816 0.067 6 0 "[ . 1 . 2]"
1 21 ALA 0.099 0.019 5 0 "[ . 1 . 2]"
1 22 PRO 0.214 0.032 7 0 "[ . 1 . 2]"
1 23 LEU 3.593 0.148 6 0 "[ . 1 . 2]"
1 24 ASN 1.421 0.145 14 0 "[ . 1 . 2]"
1 25 VAL 0.081 0.026 14 0 "[ . 1 . 2]"
1 26 THR 0.353 0.097 14 0 "[ . 1 . 2]"
1 27 VAL 0.046 0.019 18 0 "[ . 1 . 2]"
1 28 PHE 0.013 0.006 5 0 "[ . 1 . 2]"
1 29 LEU 0.004 0.003 14 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.001 0.001 4 0 "[ . 1 . 2]"
1 33 SER 0.012 0.011 14 0 "[ . 1 . 2]"
1 35 ASN 0.022 0.011 14 0 "[ . 1 . 2]"
1 36 VAL 0.014 0.005 13 0 "[ . 1 . 2]"
1 37 ASP 0.003 0.002 12 0 "[ . 1 . 2]"
1 38 ILE 0.030 0.012 16 0 "[ . 1 . 2]"
1 39 ARG 0.142 0.037 4 0 "[ . 1 . 2]"
1 40 TRP 0.081 0.037 4 0 "[ . 1 . 2]"
1 41 MET 0.264 0.067 10 0 "[ . 1 . 2]"
1 42 LYS 0.233 0.078 11 0 "[ . 1 . 2]"
1 43 PRO 0.280 0.035 7 0 "[ . 1 . 2]"
1 44 PRO 1.565 0.091 7 0 "[ . 1 . 2]"
1 45 THR 1.543 0.091 7 0 "[ . 1 . 2]"
1 46 LYS 0.087 0.019 7 0 "[ . 1 . 2]"
1 47 GLN 0.019 0.011 8 0 "[ . 1 . 2]"
1 48 GLN 0.012 0.008 5 0 "[ . 1 . 2]"
1 49 ASP 0.028 0.017 5 0 "[ . 1 . 2]"
1 50 GLY 0.044 0.021 18 0 "[ . 1 . 2]"
1 51 GLU 0.502 0.097 18 0 "[ . 1 . 2]"
1 52 LEU 0.541 0.097 18 0 "[ . 1 . 2]"
1 53 VAL 0.048 0.009 15 0 "[ . 1 . 2]"
1 54 GLY 0.014 0.005 14 0 "[ . 1 . 2]"
1 55 TYR 0.030 0.009 7 0 "[ . 1 . 2]"
1 56 ARG 0.057 0.013 2 0 "[ . 1 . 2]"
1 57 ILE 0.008 0.003 19 0 "[ . 1 . 2]"
1 58 SER 0.016 0.009 11 0 "[ . 1 . 2]"
1 59 HIS 0.006 0.003 19 0 "[ . 1 . 2]"
1 60 VAL 0.210 0.063 19 0 "[ . 1 . 2]"
1 61 TRP 0.200 0.079 13 0 "[ . 1 . 2]"
1 62 GLN 0.135 0.034 7 0 "[ . 1 . 2]"
1 63 SER 0.109 0.014 11 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 0.035 0.018 7 0 "[ . 1 . 2]"
1 66 ILE 0.191 0.034 7 0 "[ . 1 . 2]"
1 67 SER 0.060 0.019 7 0 "[ . 1 . 2]"
1 68 LYS 0.089 0.022 17 0 "[ . 1 . 2]"
1 69 GLU 0.118 0.046 17 0 "[ . 1 . 2]"
1 70 LEU 0.463 0.117 17 0 "[ . 1 . 2]"
1 71 LEU 0.047 0.043 17 0 "[ . 1 . 2]"
1 72 GLU 0.013 0.004 19 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.014 0.004 19 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.195 0.062 14 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.001 0.001 15 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 0.081 0.050 15 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.010 0.007 16 0 "[ . 1 . 2]"
1 83 ILE 0.022 0.005 13 0 "[ . 1 . 2]"
1 84 SER 0.022 0.013 13 0 "[ . 1 . 2]"
1 85 VAL 0.099 0.033 13 0 "[ . 1 . 2]"
1 86 GLN 0.203 0.079 13 0 "[ . 1 . 2]"
1 87 VAL 0.267 0.057 13 0 "[ . 1 . 2]"
1 88 HIS 0.158 0.029 10 0 "[ . 1 . 2]"
1 89 ASN 0.013 0.011 10 0 "[ . 1 . 2]"
1 90 ALA 0.099 0.026 17 0 "[ . 1 . 2]"
1 91 THR 0.061 0.006 16 0 "[ . 1 . 2]"
1 92 CYS 0.030 0.008 11 0 "[ . 1 . 2]"
1 93 THR 0.052 0.014 8 0 "[ . 1 . 2]"
1 94 VAL 0.030 0.009 19 0 "[ . 1 . 2]"
1 95 ARG 0.028 0.006 2 0 "[ . 1 . 2]"
1 96 ILE 0.017 0.005 1 0 "[ . 1 . 2]"
1 97 ALA 0.030 0.013 19 0 "[ . 1 . 2]"
1 98 ALA 0.034 0.013 19 0 "[ . 1 . 2]"
1 99 VAL 0.098 0.013 2 0 "[ . 1 . 2]"
1 100 THR 0.052 0.010 7 0 "[ . 1 . 2]"
1 101 ARG 0.145 0.116 19 0 "[ . 1 . 2]"
1 102 GLY 0.022 0.010 7 0 "[ . 1 . 2]"
1 103 GLY 0.009 0.004 11 0 "[ . 1 . 2]"
1 104 VAL 0.103 0.010 17 0 "[ . 1 . 2]"
1 105 GLY 0.082 0.017 1 0 "[ . 1 . 2]"
1 106 PRO 0.049 0.010 10 0 "[ . 1 . 2]"
1 107 PHE 0.049 0.010 10 0 "[ . 1 . 2]"
1 108 SER 0.023 0.006 16 0 "[ . 1 . 2]"
1 109 ASP 0.138 0.038 7 0 "[ . 1 . 2]"
1 110 PRO 0.817 0.061 11 0 "[ . 1 . 2]"
1 111 VAL 1.317 0.106 7 0 "[ . 1 . 2]"
1 112 LYS 1.805 0.106 7 0 "[ . 1 . 2]"
1 113 ILE 0.127 0.017 3 0 "[ . 1 . 2]"
1 114 PHE 0.208 0.017 3 0 "[ . 1 . 2]"
1 115 ILE 0.027 0.008 11 0 "[ . 1 . 2]"
1 116 PRO 0.042 0.010 11 0 "[ . 1 . 2]"
1 117 ALA 0.041 0.011 2 0 "[ . 1 . 2]"
1 118 HIS 0.015 0.012 11 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 PRO 0.000 0.000 . 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 6 SER H 1 7 GLY H . . 4.740 4.183 2.313 4.641 . 0 0 "[ . 1 . 2]" 1
2 1 8 TRP H 1 8 TRP QB . . 3.730 2.615 2.180 3.352 . 0 0 "[ . 1 . 2]" 1
3 1 8 TRP HA 1 8 TRP HD1 . . 4.210 3.769 2.960 4.224 0.014 2 0 "[ . 1 . 2]" 1
4 1 8 TRP HA 1 8 TRP HE3 . . 4.620 4.050 3.132 4.619 . 0 0 "[ . 1 . 2]" 1
5 1 8 TRP HA 1 9 ILE H . . 3.210 2.318 2.140 2.560 . 0 0 "[ . 1 . 2]" 1
6 1 8 TRP QB 1 8 TRP HE3 . . 3.840 2.489 2.376 2.756 . 0 0 "[ . 1 . 2]" 1
7 1 8 TRP QB 1 9 ILE H . . 4.040 2.957 2.117 3.974 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE H 1 9 ILE HB . . 3.530 2.616 2.446 2.810 . 0 0 "[ . 1 . 2]" 1
9 1 9 ILE H 1 9 ILE MD . . 4.840 3.435 1.892 4.243 . 0 0 "[ . 1 . 2]" 1
10 1 9 ILE H 1 9 ILE HG12 . . 4.170 3.446 2.023 4.164 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE H 1 9 ILE QG . . 3.650 2.529 1.886 3.212 . 0 0 "[ . 1 . 2]" 1
12 1 9 ILE H 1 9 ILE HG13 . . 4.170 2.985 1.897 4.083 . 0 0 "[ . 1 . 2]" 1
13 1 9 ILE H 1 9 ILE MG . . 4.560 3.819 3.748 3.922 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE HA 1 9 ILE MD . . 4.020 3.297 1.978 3.915 . 0 0 "[ . 1 . 2]" 1
15 1 9 ILE HA 1 9 ILE QG . . 3.700 2.586 2.294 3.047 . 0 0 "[ . 1 . 2]" 1
16 1 9 ILE HA 1 9 ILE MG . . 3.550 2.368 2.222 2.461 . 0 0 "[ . 1 . 2]" 1
17 1 9 ILE HA 1 10 LEU H . . 3.110 2.176 2.140 2.308 . 0 0 "[ . 1 . 2]" 1
18 1 9 ILE HA 1 10 LEU QB . . 4.760 4.244 4.013 4.625 . 0 0 "[ . 1 . 2]" 1
19 1 9 ILE HB 1 10 LEU H . . 4.430 4.189 3.675 4.457 0.027 1 0 "[ . 1 . 2]" 1
20 1 9 ILE MG 1 10 LEU H . . 4.160 2.604 2.021 3.260 . 0 0 "[ . 1 . 2]" 1
21 1 9 ILE MG 1 10 LEU HA . . 4.540 3.878 3.278 4.278 . 0 0 "[ . 1 . 2]" 1
22 1 10 LEU H 1 10 LEU QB . . 3.350 2.436 2.147 3.129 . 0 0 "[ . 1 . 2]" 1
23 1 10 LEU H 1 10 LEU HG . . 4.820 3.407 1.968 4.586 . 0 0 "[ . 1 . 2]" 1
24 1 10 LEU HA 1 10 LEU MD1 . . 4.210 3.303 1.956 4.120 . 0 0 "[ . 1 . 2]" 1
25 1 10 LEU HA 1 10 LEU QD . . 3.410 2.498 1.911 3.411 0.001 8 0 "[ . 1 . 2]" 1
26 1 10 LEU HA 1 10 LEU MD2 . . 4.210 3.041 2.049 4.113 . 0 0 "[ . 1 . 2]" 1
27 1 10 LEU HA 1 10 LEU HG . . 3.890 3.053 2.301 3.731 . 0 0 "[ . 1 . 2]" 1
28 1 10 LEU HA 1 11 ALA H . . 3.340 2.328 2.145 2.597 . 0 0 "[ . 1 . 2]" 1
29 1 10 LEU QB 1 11 ALA H . . 4.400 2.948 2.006 3.962 . 0 0 "[ . 1 . 2]" 1
30 1 11 ALA H 1 11 ALA MB . . 3.670 2.447 2.029 2.899 . 0 0 "[ . 1 . 2]" 1
31 1 11 ALA MB 1 12 SER H . . 4.600 2.947 2.148 3.695 . 0 0 "[ . 1 . 2]" 1
32 1 11 ALA MB 1 12 SER HA . . 4.820 4.176 3.698 4.787 . 0 0 "[ . 1 . 2]" 1
33 1 13 THR H 1 13 THR MG . . 4.700 2.492 1.913 3.846 . 0 0 "[ . 1 . 2]" 1
34 1 13 THR HA 1 13 THR MG . . 3.480 2.644 2.165 3.207 . 0 0 "[ . 1 . 2]" 1
35 1 13 THR HB 1 14 THR H . . 4.910 3.590 2.372 4.566 . 0 0 "[ . 1 . 2]" 1
36 1 14 THR H 1 15 GLU H . . 4.530 3.616 1.812 4.493 . 0 0 "[ . 1 . 2]" 1
37 1 14 THR HA 1 14 THR MG . . 3.330 2.717 2.194 3.206 . 0 0 "[ . 1 . 2]" 1
38 1 14 THR HA 1 15 GLU H . . 3.420 2.615 2.142 3.458 0.038 3 0 "[ . 1 . 2]" 1
39 1 14 THR HB 1 15 GLU H . . 4.380 3.930 3.014 4.365 . 0 0 "[ . 1 . 2]" 1
40 1 14 THR MG 1 15 GLU H . . 4.540 3.107 2.025 4.274 . 0 0 "[ . 1 . 2]" 1
41 1 14 THR MG 1 15 GLU HA . . 4.610 3.931 3.078 4.520 . 0 0 "[ . 1 . 2]" 1
42 1 14 THR MG 1 15 GLU QG . . 4.690 4.179 3.160 4.693 0.003 3 0 "[ . 1 . 2]" 1
43 1 15 GLU H 1 15 GLU QB . . 3.490 2.699 2.221 3.334 . 0 0 "[ . 1 . 2]" 1
44 1 15 GLU H 1 15 GLU QG . . 4.040 2.894 1.975 4.026 . 0 0 "[ . 1 . 2]" 1
45 1 15 GLU HA 1 15 GLU QG . . 3.560 2.973 2.234 3.459 . 0 0 "[ . 1 . 2]" 1
46 1 15 GLU HA 1 16 GLY H . . 3.120 2.290 2.142 2.767 . 0 0 "[ . 1 . 2]" 1
47 1 15 GLU QB 1 16 GLY H . . 3.930 2.989 2.199 3.899 . 0 0 "[ . 1 . 2]" 1
48 1 15 GLU HB2 1 16 GLY H . . 4.580 3.408 2.216 4.570 . 0 0 "[ . 1 . 2]" 1
49 1 15 GLU HB3 1 16 GLY H . . 4.580 3.814 2.532 4.358 . 0 0 "[ . 1 . 2]" 1
50 1 15 GLU QG 1 16 GLY H . . 4.570 3.711 2.808 4.348 . 0 0 "[ . 1 . 2]" 1
51 1 16 GLY H 1 17 ALA H . . 4.220 3.350 2.168 4.162 . 0 0 "[ . 1 . 2]" 1
52 1 16 GLY QA 1 17 ALA H . . 2.990 2.313 2.111 2.664 . 0 0 "[ . 1 . 2]" 1
53 1 16 GLY QA 1 17 ALA MB . . 4.080 3.797 3.567 3.952 . 0 0 "[ . 1 . 2]" 1
54 1 17 ALA H 1 17 ALA MB . . 3.000 2.612 2.192 2.889 . 0 0 "[ . 1 . 2]" 1
55 1 17 ALA HA 1 18 PRO HD2 . . 3.450 2.459 2.332 2.639 . 0 0 "[ . 1 . 2]" 1
56 1 17 ALA HA 1 18 PRO QD . . 2.990 2.127 2.052 2.240 . 0 0 "[ . 1 . 2]" 1
57 1 17 ALA HA 1 18 PRO HD3 . . 3.450 2.329 2.277 2.422 . 0 0 "[ . 1 . 2]" 1
58 1 17 ALA HA 1 18 PRO QG . . 4.360 4.041 3.960 4.162 . 0 0 "[ . 1 . 2]" 1
59 1 17 ALA HA 1 103 GLY H . . 3.780 3.568 2.999 3.782 0.002 13 0 "[ . 1 . 2]" 1
60 1 17 ALA MB 1 18 PRO HD2 . . 3.590 2.065 1.905 2.328 . 0 0 "[ . 1 . 2]" 1
61 1 17 ALA MB 1 18 PRO QD . . 3.080 2.041 1.884 2.289 . 0 0 "[ . 1 . 2]" 1
62 1 17 ALA MB 1 18 PRO HD3 . . 3.590 3.191 2.970 3.374 . 0 0 "[ . 1 . 2]" 1
63 1 17 ALA MB 1 18 PRO QG . . 3.920 3.503 3.312 3.707 . 0 0 "[ . 1 . 2]" 1
64 1 17 ALA MB 1 19 SER H . . 5.140 4.070 2.102 4.361 . 0 0 "[ . 1 . 2]" 1
65 1 17 ALA MB 1 103 GLY H . . 4.530 3.846 3.234 4.521 . 0 0 "[ . 1 . 2]" 1
66 1 17 ALA MB 1 103 GLY HA2 . . 4.730 4.236 3.863 4.570 . 0 0 "[ . 1 . 2]" 1
67 1 17 ALA MB 1 103 GLY QA . . 3.930 2.740 2.342 3.097 . 0 0 "[ . 1 . 2]" 1
68 1 17 ALA MB 1 103 GLY HA3 . . 4.730 2.776 2.361 3.167 . 0 0 "[ . 1 . 2]" 1
69 1 17 ALA MB 1 104 VAL H . . 4.260 4.065 2.980 4.270 0.010 17 0 "[ . 1 . 2]" 1
70 1 17 ALA MB 1 105 GLY H . . 4.840 4.665 3.397 4.851 0.011 3 0 "[ . 1 . 2]" 1
71 1 17 ALA MB 1 105 GLY QA . . 3.670 3.361 2.209 3.687 0.017 1 0 "[ . 1 . 2]" 1
72 1 18 PRO HA 1 19 SER H . . 3.180 2.415 2.303 3.326 0.146 12 0 "[ . 1 . 2]" 1
73 1 18 PRO HA 1 20 VAL H . . 4.490 3.750 3.613 4.328 . 0 0 "[ . 1 . 2]" 1
74 1 18 PRO QB 1 19 SER H . . 3.760 3.813 3.684 3.844 0.084 8 0 "[ . 1 . 2]" 1
75 1 18 PRO QB 1 20 VAL H . . 3.740 2.974 2.763 3.017 . 0 0 "[ . 1 . 2]" 1
76 1 18 PRO QB 1 20 VAL MG2 . . 4.470 2.931 1.763 3.336 . 0 0 "[ . 1 . 2]" 1
77 1 18 PRO QB 1 45 THR MG . . 4.150 2.967 1.855 4.164 0.014 5 0 "[ . 1 . 2]" 1
78 1 18 PRO QB 1 100 THR MG . . 3.860 2.189 1.903 2.556 . 0 0 "[ . 1 . 2]" 1
79 1 18 PRO QB 1 105 GLY QA . . 3.930 3.086 2.760 3.933 0.003 12 0 "[ . 1 . 2]" 1
80 1 18 PRO HB2 1 19 SER H . . 4.380 4.138 3.918 4.181 . 0 0 "[ . 1 . 2]" 1
81 1 18 PRO HB2 1 20 VAL H . . 4.500 3.021 2.795 3.068 . 0 0 "[ . 1 . 2]" 1
82 1 18 PRO HB2 1 98 ALA MB . . 4.220 2.718 2.355 3.722 . 0 0 "[ . 1 . 2]" 1
83 1 18 PRO HB3 1 19 SER H . . 4.380 4.470 4.457 4.485 0.105 8 0 "[ . 1 . 2]" 1
84 1 18 PRO HB3 1 20 VAL H . . 4.500 4.448 4.347 4.467 . 0 0 "[ . 1 . 2]" 1
85 1 18 PRO HB3 1 98 ALA MB . . 4.220 3.321 2.783 4.182 . 0 0 "[ . 1 . 2]" 1
86 1 18 PRO QD 1 19 SER H . . 4.530 4.439 2.893 4.628 0.098 6 0 "[ . 1 . 2]" 1
87 1 18 PRO QD 1 99 VAL HA . . 4.620 4.157 3.522 4.566 . 0 0 "[ . 1 . 2]" 1
88 1 18 PRO QD 1 100 THR H . . 3.970 3.426 2.974 3.775 . 0 0 "[ . 1 . 2]" 1
89 1 18 PRO QD 1 100 THR MG . . 3.350 2.401 1.966 2.861 . 0 0 "[ . 1 . 2]" 1
90 1 18 PRO QD 1 103 GLY H . . 4.690 3.110 2.739 3.612 . 0 0 "[ . 1 . 2]" 1
91 1 18 PRO QD 1 105 GLY H . . 3.980 3.593 2.699 3.957 . 0 0 "[ . 1 . 2]" 1
92 1 18 PRO HD2 1 99 VAL HA . . 5.320 4.730 3.955 5.212 . 0 0 "[ . 1 . 2]" 1
93 1 18 PRO HD2 1 100 THR H . . 4.710 4.262 3.632 4.634 . 0 0 "[ . 1 . 2]" 1
94 1 18 PRO HD2 1 100 THR MG . . 4.100 3.800 3.347 4.104 0.004 11 0 "[ . 1 . 2]" 1
95 1 18 PRO HD3 1 99 VAL HA . . 5.320 4.625 3.861 5.136 . 0 0 "[ . 1 . 2]" 1
96 1 18 PRO HD3 1 100 THR H . . 4.710 3.627 3.106 4.187 . 0 0 "[ . 1 . 2]" 1
97 1 18 PRO HD3 1 100 THR MG . . 4.100 2.430 1.980 2.919 . 0 0 "[ . 1 . 2]" 1
98 1 18 PRO QG 1 19 SER H . . 4.530 4.568 3.191 4.725 0.195 6 0 "[ . 1 . 2]" 1
99 1 18 PRO QG 1 97 ALA MB . . 5.500 4.842 4.558 5.165 . 0 0 "[ . 1 . 2]" 1
100 1 18 PRO QG 1 99 VAL H . . 4.740 4.442 4.068 4.744 0.004 14 0 "[ . 1 . 2]" 1
101 1 18 PRO QG 1 99 VAL HA . . 3.940 2.869 1.973 3.658 . 0 0 "[ . 1 . 2]" 1
102 1 18 PRO QG 1 100 THR H . . 4.270 2.996 2.447 3.790 . 0 0 "[ . 1 . 2]" 1
103 1 18 PRO QG 1 100 THR MG . . 3.420 2.209 1.947 2.656 . 0 0 "[ . 1 . 2]" 1
104 1 18 PRO QG 1 103 GLY H . . 5.210 4.399 3.928 5.210 . 0 0 "[ . 1 . 2]" 1
105 1 18 PRO QG 1 105 GLY H . . 3.690 2.280 1.930 3.093 . 0 0 "[ . 1 . 2]" 1
106 1 18 PRO QG 1 105 GLY HA2 . . 3.820 2.938 2.442 3.387 . 0 0 "[ . 1 . 2]" 1
107 1 18 PRO QG 1 105 GLY QA . . 3.330 2.126 1.897 2.352 . 0 0 "[ . 1 . 2]" 1
108 1 18 PRO QG 1 105 GLY HA3 . . 3.820 2.186 1.977 2.402 . 0 0 "[ . 1 . 2]" 1
109 1 18 PRO QG 1 106 PRO QD . . 4.040 3.801 2.692 4.038 . 0 0 "[ . 1 . 2]" 1
110 1 19 SER H 1 19 SER QB . . 3.630 2.329 2.180 2.764 . 0 0 "[ . 1 . 2]" 1
111 1 19 SER H 1 20 VAL H . . 3.260 3.235 2.890 3.292 0.032 20 0 "[ . 1 . 2]" 1
112 1 19 SER H 1 20 VAL MG1 . . 4.580 3.761 3.482 4.506 . 0 0 "[ . 1 . 2]" 1
113 1 19 SER H 1 20 VAL MG2 . . 4.400 3.696 3.308 4.294 . 0 0 "[ . 1 . 2]" 1
114 1 19 SER H 1 106 PRO QD . . 5.350 4.361 2.933 4.715 . 0 0 "[ . 1 . 2]" 1
115 1 19 SER HA 1 20 VAL H . . 3.410 2.775 2.750 2.923 . 0 0 "[ . 1 . 2]" 1
116 1 19 SER HA 1 106 PRO HD2 . . 4.300 2.724 2.298 3.238 . 0 0 "[ . 1 . 2]" 1
117 1 19 SER HA 1 106 PRO HD3 . . 4.300 2.806 2.344 3.267 . 0 0 "[ . 1 . 2]" 1
118 1 19 SER HA 1 106 PRO HG3 . . 3.770 3.349 2.558 3.770 0.000 13 0 "[ . 1 . 2]" 1
119 1 19 SER QB 1 20 VAL MG1 . . 3.940 3.231 2.833 3.915 . 0 0 "[ . 1 . 2]" 1
120 1 19 SER QB 1 20 VAL MG2 . . 4.500 4.356 4.042 4.500 0.000 10 0 "[ . 1 . 2]" 1
121 1 19 SER HB2 1 20 VAL H . . 4.510 4.406 4.264 4.564 0.054 17 0 "[ . 1 . 2]" 1
122 1 19 SER HB2 1 20 VAL MG1 . . 4.530 3.783 3.132 4.451 . 0 0 "[ . 1 . 2]" 1
123 1 19 SER HB3 1 20 VAL H . . 4.510 4.369 4.094 4.577 0.067 6 0 "[ . 1 . 2]" 1
124 1 19 SER HB3 1 20 VAL MG1 . . 4.530 3.682 2.879 4.527 . 0 0 "[ . 1 . 2]" 1
125 1 20 VAL H 1 20 VAL HB . . 4.020 3.955 3.894 3.996 . 0 0 "[ . 1 . 2]" 1
126 1 20 VAL H 1 20 VAL MG1 . . 3.400 3.189 3.015 3.391 . 0 0 "[ . 1 . 2]" 1
127 1 20 VAL H 1 20 VAL MG2 . . 3.850 2.471 2.232 2.575 . 0 0 "[ . 1 . 2]" 1
128 1 20 VAL H 1 21 ALA H . . 4.480 4.335 4.247 4.391 . 0 0 "[ . 1 . 2]" 1
129 1 20 VAL H 1 21 ALA MB . . 5.500 5.041 4.946 5.138 . 0 0 "[ . 1 . 2]" 1
130 1 20 VAL H 1 106 PRO HD2 . . 4.860 2.653 2.210 3.030 . 0 0 "[ . 1 . 2]" 1
131 1 20 VAL H 1 106 PRO HD3 . . 4.860 4.107 3.340 4.601 . 0 0 "[ . 1 . 2]" 1
132 1 20 VAL H 1 106 PRO HG2 . . 4.970 3.800 3.528 4.062 . 0 0 "[ . 1 . 2]" 1
133 1 20 VAL HA 1 20 VAL MG1 . . 3.380 2.295 2.163 2.415 . 0 0 "[ . 1 . 2]" 1
134 1 20 VAL HA 1 20 VAL MG2 . . 3.320 3.195 3.187 3.201 . 0 0 "[ . 1 . 2]" 1
135 1 20 VAL HA 1 21 ALA H . . 2.850 2.310 2.189 2.529 . 0 0 "[ . 1 . 2]" 1
136 1 20 VAL HA 1 21 ALA MB . . 3.860 3.839 3.783 3.879 0.019 5 0 "[ . 1 . 2]" 1
137 1 20 VAL HA 1 106 PRO HG2 . . 4.360 3.510 2.782 3.858 . 0 0 "[ . 1 . 2]" 1
138 1 20 VAL HB 1 21 ALA H . . 3.510 2.644 2.118 3.034 . 0 0 "[ . 1 . 2]" 1
139 1 20 VAL HB 1 21 ALA MB . . 4.830 4.535 4.274 4.711 . 0 0 "[ . 1 . 2]" 1
140 1 20 VAL HB 1 44 PRO HD2 . . 4.260 3.321 2.859 3.758 . 0 0 "[ . 1 . 2]" 1
141 1 20 VAL MG1 1 21 ALA H . . 4.000 3.728 3.491 3.955 . 0 0 "[ . 1 . 2]" 1
142 1 20 VAL MG1 1 43 PRO HB2 . . 5.050 4.284 3.990 4.540 . 0 0 "[ . 1 . 2]" 1
143 1 20 VAL MG1 1 44 PRO QB . . 5.120 4.718 3.888 5.024 . 0 0 "[ . 1 . 2]" 1
144 1 20 VAL MG1 1 44 PRO HD2 . . 3.880 3.710 3.495 3.880 0.000 17 0 "[ . 1 . 2]" 1
145 1 20 VAL MG1 1 44 PRO HD3 . . 5.190 4.911 4.451 5.198 0.008 7 0 "[ . 1 . 2]" 1
146 1 20 VAL MG2 1 21 ALA H . . 3.740 3.617 3.233 3.752 0.012 7 0 "[ . 1 . 2]" 1
147 1 20 VAL MG2 1 21 ALA MB . . 4.760 4.626 4.406 4.756 . 0 0 "[ . 1 . 2]" 1
148 1 20 VAL MG2 1 43 PRO HB2 . . 4.410 2.100 1.879 2.439 . 0 0 "[ . 1 . 2]" 1
149 1 20 VAL MG2 1 44 PRO HD2 . . 3.850 2.751 2.336 3.048 . 0 0 "[ . 1 . 2]" 1
150 1 20 VAL MG2 1 44 PRO HD3 . . 4.640 4.318 3.927 4.635 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL MG2 1 45 THR H . . 4.550 3.139 2.638 3.497 . 0 0 "[ . 1 . 2]" 1
152 1 20 VAL MG2 1 98 ALA MB . . 4.100 3.176 2.887 3.778 . 0 0 "[ . 1 . 2]" 1
153 1 21 ALA H 1 21 ALA MB . . 3.050 2.300 2.165 2.470 . 0 0 "[ . 1 . 2]" 1
154 1 21 ALA H 1 106 PRO HG2 . . 4.560 4.197 3.814 4.559 . 0 0 "[ . 1 . 2]" 1
155 1 21 ALA H 1 108 SER QB . . 5.340 5.233 4.961 5.346 0.006 16 0 "[ . 1 . 2]" 1
156 1 21 ALA MB 1 22 PRO HB2 . . 5.390 4.865 4.824 4.934 . 0 0 "[ . 1 . 2]" 1
157 1 21 ALA MB 1 22 PRO HD2 . . 3.460 1.925 1.880 2.027 . 0 0 "[ . 1 . 2]" 1
158 1 21 ALA MB 1 22 PRO HD3 . . 4.230 2.992 2.937 3.087 . 0 0 "[ . 1 . 2]" 1
159 1 21 ALA MB 1 22 PRO QG . . 4.030 3.353 3.298 3.443 . 0 0 "[ . 1 . 2]" 1
160 1 21 ALA MB 1 25 VAL MG2 . . 4.250 3.909 3.717 4.130 . 0 0 "[ . 1 . 2]" 1
161 1 21 ALA MB 1 106 PRO HB2 . . 4.140 4.116 3.983 4.146 0.006 3 0 "[ . 1 . 2]" 1
162 1 21 ALA MB 1 106 PRO HB3 . . 5.500 5.450 5.230 5.506 0.006 16 0 "[ . 1 . 2]" 1
163 1 21 ALA MB 1 106 PRO HG2 . . 3.990 3.576 3.183 3.744 . 0 0 "[ . 1 . 2]" 1
164 1 21 ALA MB 1 108 SER H . . 3.830 2.973 2.613 3.288 . 0 0 "[ . 1 . 2]" 1
165 1 21 ALA MB 1 108 SER HA . . 3.030 2.435 2.182 2.665 . 0 0 "[ . 1 . 2]" 1
166 1 21 ALA MB 1 108 SER HB2 . . 4.130 3.249 2.875 3.515 . 0 0 "[ . 1 . 2]" 1
167 1 21 ALA MB 1 108 SER QB . . 3.470 2.148 1.975 2.298 . 0 0 "[ . 1 . 2]" 1
168 1 21 ALA MB 1 108 SER HB3 . . 4.130 2.181 2.003 2.334 . 0 0 "[ . 1 . 2]" 1
169 1 21 ALA MB 1 109 ASP H . . 4.510 4.232 3.957 4.515 0.005 2 0 "[ . 1 . 2]" 1
170 1 22 PRO HA 1 23 LEU H . . 3.070 2.261 2.166 2.348 . 0 0 "[ . 1 . 2]" 1
171 1 22 PRO HA 1 23 LEU MD1 . . 5.250 3.435 2.383 5.074 . 0 0 "[ . 1 . 2]" 1
172 1 22 PRO HA 1 23 LEU QD . . 4.020 2.930 2.373 3.802 . 0 0 "[ . 1 . 2]" 1
173 1 22 PRO HA 1 23 LEU MD2 . . 5.250 4.356 2.537 5.022 . 0 0 "[ . 1 . 2]" 1
174 1 22 PRO HA 1 23 LEU HG . . 5.370 3.700 3.158 5.106 . 0 0 "[ . 1 . 2]" 1
175 1 22 PRO HA 1 41 MET HB2 . . 5.410 5.140 4.893 5.250 . 0 0 "[ . 1 . 2]" 1
176 1 22 PRO HA 1 41 MET HB3 . . 5.500 5.448 5.158 5.527 0.027 10 0 "[ . 1 . 2]" 1
177 1 22 PRO HA 1 43 PRO HB2 . . 4.990 4.844 4.401 4.994 0.004 14 0 "[ . 1 . 2]" 1
178 1 22 PRO HA 1 43 PRO HB3 . . 4.260 3.148 2.665 3.313 . 0 0 "[ . 1 . 2]" 1
179 1 22 PRO HA 1 43 PRO HD3 . . 4.130 2.816 2.501 3.326 . 0 0 "[ . 1 . 2]" 1
180 1 22 PRO HA 1 43 PRO HG2 . . 5.500 5.150 4.780 5.505 0.005 10 0 "[ . 1 . 2]" 1
181 1 22 PRO HA 1 43 PRO QG . . 4.740 3.851 3.384 4.242 . 0 0 "[ . 1 . 2]" 1
182 1 22 PRO HA 1 43 PRO HG3 . . 5.500 3.978 3.461 4.412 . 0 0 "[ . 1 . 2]" 1
183 1 22 PRO HA 1 98 ALA MB . . 4.730 4.185 3.807 4.502 . 0 0 "[ . 1 . 2]" 1
184 1 22 PRO HB2 1 23 LEU H . . 3.890 3.029 2.751 3.431 . 0 0 "[ . 1 . 2]" 1
185 1 22 PRO HB2 1 25 VAL MG2 . . 4.160 2.693 2.242 3.020 . 0 0 "[ . 1 . 2]" 1
186 1 22 PRO HB2 1 40 TRP HB2 . . 4.550 2.110 1.994 2.317 . 0 0 "[ . 1 . 2]" 1
187 1 22 PRO HB2 1 40 TRP HD1 . . 3.880 3.019 2.639 3.343 . 0 0 "[ . 1 . 2]" 1
188 1 22 PRO HB2 1 41 MET H . . 4.700 2.930 2.457 3.301 . 0 0 "[ . 1 . 2]" 1
189 1 22 PRO HB2 1 55 TYR QE . . 4.210 4.090 3.845 4.213 0.003 6 0 "[ . 1 . 2]" 1
190 1 22 PRO HB2 1 96 ILE MD . . 4.440 4.146 3.813 4.439 . 0 0 "[ . 1 . 2]" 1
191 1 22 PRO HB2 1 96 ILE MG . . 4.580 3.767 3.218 4.127 . 0 0 "[ . 1 . 2]" 1
192 1 22 PRO HB3 1 23 LEU H . . 4.140 3.685 3.526 3.933 . 0 0 "[ . 1 . 2]" 1
193 1 22 PRO HB3 1 25 VAL MG2 . . 4.530 4.029 3.559 4.356 . 0 0 "[ . 1 . 2]" 1
194 1 22 PRO HB3 1 40 TRP HD1 . . 4.330 2.828 2.429 3.216 . 0 0 "[ . 1 . 2]" 1
195 1 22 PRO HB3 1 55 TYR QE . . 4.550 2.513 2.194 2.719 . 0 0 "[ . 1 . 2]" 1
196 1 22 PRO HB3 1 96 ILE HB . . 4.940 4.469 4.256 4.812 . 0 0 "[ . 1 . 2]" 1
197 1 22 PRO HB3 1 96 ILE MG . . 4.080 3.565 3.222 3.852 . 0 0 "[ . 1 . 2]" 1
198 1 22 PRO HB3 1 98 ALA MB . . 4.210 3.980 3.470 4.216 0.006 9 0 "[ . 1 . 2]" 1
199 1 22 PRO HD2 1 96 ILE MG . . 4.820 4.180 3.736 4.712 . 0 0 "[ . 1 . 2]" 1
200 1 22 PRO HD2 1 98 ALA H . . 4.440 3.969 3.310 4.441 0.001 20 0 "[ . 1 . 2]" 1
201 1 22 PRO HD2 1 98 ALA MB . . 4.670 4.471 3.879 4.670 . 0 0 "[ . 1 . 2]" 1
202 1 22 PRO HD2 1 108 SER H . . 4.600 3.292 3.031 3.657 . 0 0 "[ . 1 . 2]" 1
203 1 22 PRO HD3 1 43 PRO HB3 . . 5.080 4.972 4.621 5.112 0.032 7 0 "[ . 1 . 2]" 1
204 1 22 PRO HD3 1 96 ILE MG . . 4.840 3.708 3.368 4.103 . 0 0 "[ . 1 . 2]" 1
205 1 22 PRO HD3 1 98 ALA H . . 4.300 2.736 2.240 3.129 . 0 0 "[ . 1 . 2]" 1
206 1 22 PRO HD3 1 98 ALA MB . . 4.090 3.066 2.579 3.323 . 0 0 "[ . 1 . 2]" 1
207 1 22 PRO QG 1 55 TYR QD . . 4.220 3.085 2.777 3.408 . 0 0 "[ . 1 . 2]" 1
208 1 22 PRO QG 1 55 TYR QE . . 4.240 3.962 3.528 4.246 0.006 14 0 "[ . 1 . 2]" 1
209 1 22 PRO QG 1 96 ILE HA . . 5.070 4.195 3.841 4.533 . 0 0 "[ . 1 . 2]" 1
210 1 22 PRO QG 1 96 ILE HB . . 3.980 2.186 1.964 2.356 . 0 0 "[ . 1 . 2]" 1
211 1 22 PRO QG 1 96 ILE MD . . 4.270 3.391 3.124 3.682 . 0 0 "[ . 1 . 2]" 1
212 1 22 PRO QG 1 96 ILE MG . . 3.340 2.172 1.900 2.649 . 0 0 "[ . 1 . 2]" 1
213 1 22 PRO HG2 1 40 TRP HD1 . . 5.500 4.936 4.516 5.412 . 0 0 "[ . 1 . 2]" 1
214 1 22 PRO HG2 1 96 ILE MG . . 4.210 3.348 2.953 3.903 . 0 0 "[ . 1 . 2]" 1
215 1 22 PRO HG3 1 40 TRP HD1 . . 5.500 4.260 3.769 4.834 . 0 0 "[ . 1 . 2]" 1
216 1 22 PRO HG3 1 96 ILE MG . . 4.210 2.201 1.923 2.695 . 0 0 "[ . 1 . 2]" 1
217 1 23 LEU H 1 23 LEU QB . . 3.270 2.815 2.753 2.993 . 0 0 "[ . 1 . 2]" 1
218 1 23 LEU H 1 23 LEU MD1 . . 3.980 2.464 1.770 3.624 . 0 0 "[ . 1 . 2]" 1
219 1 23 LEU H 1 23 LEU MD2 . . 3.980 3.462 1.797 3.997 0.017 13 0 "[ . 1 . 2]" 1
220 1 23 LEU H 1 23 LEU HG . . 3.770 2.566 1.897 3.801 0.031 10 0 "[ . 1 . 2]" 1
221 1 23 LEU H 1 25 VAL MG2 . . 5.060 3.846 3.533 4.102 . 0 0 "[ . 1 . 2]" 1
222 1 23 LEU H 1 40 TRP HB2 . . 4.750 4.098 3.497 4.567 . 0 0 "[ . 1 . 2]" 1
223 1 23 LEU H 1 41 MET H . . 3.820 2.984 2.585 3.649 . 0 0 "[ . 1 . 2]" 1
224 1 23 LEU H 1 41 MET HB2 . . 4.620 3.083 2.856 3.459 . 0 0 "[ . 1 . 2]" 1
225 1 23 LEU H 1 41 MET HB3 . . 4.210 3.733 3.388 4.002 . 0 0 "[ . 1 . 2]" 1
226 1 23 LEU H 1 43 PRO HD3 . . 4.790 4.264 3.933 4.649 . 0 0 "[ . 1 . 2]" 1
227 1 23 LEU HA 1 23 LEU MD1 . . 4.140 3.711 2.165 4.116 . 0 0 "[ . 1 . 2]" 1
228 1 23 LEU HA 1 23 LEU QD . . 3.090 3.071 2.147 3.238 0.148 6 0 "[ . 1 . 2]" 1
229 1 23 LEU HA 1 23 LEU MD2 . . 4.140 3.403 2.813 3.810 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU HA 1 23 LEU HG . . 4.070 3.095 2.843 3.918 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU HA 1 24 ASN H . . 3.070 2.610 2.488 2.663 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU HA 1 24 ASN HB2 . . 4.820 4.755 4.671 4.818 . 0 0 "[ . 1 . 2]" 1
233 1 23 LEU HA 1 25 VAL H . . 4.140 3.347 3.101 3.579 . 0 0 "[ . 1 . 2]" 1
234 1 23 LEU QB 1 23 LEU MD1 . . 3.120 2.026 1.919 2.421 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU QB 1 23 LEU QD . . 2.640 1.810 1.730 1.984 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU QB 1 23 LEU MD2 . . 3.120 2.042 1.963 2.181 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU QB 1 24 ASN H . . 3.390 2.195 2.148 2.301 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU QB 1 24 ASN HA . . 4.270 4.055 4.016 4.143 . 0 0 "[ . 1 . 2]" 1
239 1 23 LEU QB 1 24 ASN HB2 . . 4.210 3.249 3.104 3.532 . 0 0 "[ . 1 . 2]" 1
240 1 23 LEU QB 1 24 ASN HB3 . . 4.940 4.716 4.619 4.857 . 0 0 "[ . 1 . 2]" 1
241 1 23 LEU QB 1 24 ASN HD21 . . 4.670 2.703 2.019 3.351 . 0 0 "[ . 1 . 2]" 1
242 1 23 LEU QB 1 24 ASN QD . . 3.970 2.662 2.006 3.272 . 0 0 "[ . 1 . 2]" 1
243 1 23 LEU QB 1 24 ASN HD22 . . 4.670 4.033 3.448 4.583 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU QB 1 25 VAL H . . 4.620 4.299 4.100 4.487 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU QB 1 41 MET H . . 4.860 4.086 3.499 4.858 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU QB 1 41 MET HB2 . . 3.550 2.451 1.980 3.463 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU QB 1 41 MET HB3 . . 4.480 3.278 2.826 4.289 . 0 0 "[ . 1 . 2]" 1
248 1 23 LEU QB 1 41 MET ME . . 4.560 3.797 2.051 4.567 0.007 7 0 "[ . 1 . 2]" 1
249 1 23 LEU QB 1 41 MET QG . . 4.250 3.680 3.181 4.269 0.019 17 0 "[ . 1 . 2]" 1
250 1 23 LEU QD 1 24 ASN HB2 . . 4.310 4.118 3.993 4.212 . 0 0 "[ . 1 . 2]" 1
251 1 23 LEU QD 1 24 ASN HB3 . . 5.440 5.462 5.311 5.577 0.137 20 0 "[ . 1 . 2]" 1
252 1 23 LEU QD 1 24 ASN QD . . 4.240 3.528 2.661 3.990 . 0 0 "[ . 1 . 2]" 1
253 1 23 LEU QD 1 41 MET H . . 5.120 3.928 3.047 4.771 . 0 0 "[ . 1 . 2]" 1
254 1 23 LEU QD 1 41 MET HB3 . . 3.590 2.416 2.026 3.168 . 0 0 "[ . 1 . 2]" 1
255 1 23 LEU QD 1 41 MET ME . . 3.790 3.215 2.284 3.803 0.013 10 0 "[ . 1 . 2]" 1
256 1 23 LEU QD 1 41 MET QG . . 4.080 3.716 3.395 3.955 . 0 0 "[ . 1 . 2]" 1
257 1 23 LEU QD 1 43 PRO HB3 . . 4.030 3.332 2.644 4.036 0.006 20 0 "[ . 1 . 2]" 1
258 1 23 LEU QD 1 44 PRO HD2 . . 3.640 3.395 2.811 3.645 0.005 13 0 "[ . 1 . 2]" 1
259 1 23 LEU QD 1 44 PRO HD3 . . 3.210 2.535 2.097 2.887 . 0 0 "[ . 1 . 2]" 1
260 1 23 LEU QD 1 44 PRO QG . . 4.010 3.667 3.109 4.029 0.019 10 0 "[ . 1 . 2]" 1
261 1 23 LEU MD1 1 24 ASN H . . 4.630 4.285 4.100 4.443 . 0 0 "[ . 1 . 2]" 1
262 1 23 LEU MD1 1 24 ASN HB2 . . 5.500 4.350 4.144 5.594 0.094 10 0 "[ . 1 . 2]" 1
263 1 23 LEU MD1 1 41 MET QG . . 5.500 3.902 3.430 5.437 . 0 0 "[ . 1 . 2]" 1
264 1 23 LEU MD1 1 43 PRO HB3 . . 4.900 3.846 3.110 4.935 0.035 7 0 "[ . 1 . 2]" 1
265 1 23 LEU MD1 1 44 PRO HD2 . . 4.830 3.948 3.649 4.339 . 0 0 "[ . 1 . 2]" 1
266 1 23 LEU MD1 1 44 PRO HD3 . . 3.680 2.989 2.608 3.216 . 0 0 "[ . 1 . 2]" 1
267 1 23 LEU MD2 1 24 ASN H . . 4.630 4.120 3.936 4.614 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU MD2 1 24 ASN HB2 . . 5.500 5.318 4.103 5.645 0.145 14 0 "[ . 1 . 2]" 1
269 1 23 LEU MD2 1 41 MET QG . . 5.500 5.151 3.537 5.485 . 0 0 "[ . 1 . 2]" 1
270 1 23 LEU MD2 1 43 PRO HB3 . . 4.900 4.423 2.654 4.918 0.018 5 0 "[ . 1 . 2]" 1
271 1 23 LEU MD2 1 44 PRO HD2 . . 4.830 3.837 2.852 4.336 . 0 0 "[ . 1 . 2]" 1
272 1 23 LEU MD2 1 44 PRO HD3 . . 3.680 2.775 2.151 3.478 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU HG 1 24 ASN H . . 4.890 4.577 4.316 4.743 . 0 0 "[ . 1 . 2]" 1
274 1 23 LEU HG 1 41 MET H . . 5.500 5.158 4.105 5.567 0.067 10 0 "[ . 1 . 2]" 1
275 1 23 LEU HG 1 41 MET HB2 . . 4.830 4.213 2.608 4.810 . 0 0 "[ . 1 . 2]" 1
276 1 23 LEU HG 1 44 PRO HD3 . . 4.750 4.125 3.445 4.775 0.025 3 0 "[ . 1 . 2]" 1
277 1 24 ASN H 1 24 ASN HA . . 2.910 2.291 2.276 2.320 . 0 0 "[ . 1 . 2]" 1
278 1 24 ASN H 1 24 ASN HB2 . . 4.030 3.169 2.999 3.344 . 0 0 "[ . 1 . 2]" 1
279 1 24 ASN H 1 24 ASN HB3 . . 4.130 4.026 3.956 4.072 . 0 0 "[ . 1 . 2]" 1
280 1 24 ASN H 1 24 ASN QD . . 4.880 2.648 2.033 3.553 . 0 0 "[ . 1 . 2]" 1
281 1 24 ASN H 1 25 VAL H . . 3.470 2.878 2.740 3.103 . 0 0 "[ . 1 . 2]" 1
282 1 24 ASN H 1 25 VAL HB . . 5.190 5.139 4.991 5.216 0.026 14 0 "[ . 1 . 2]" 1
283 1 24 ASN H 1 25 VAL MG2 . . 4.450 4.101 3.885 4.430 . 0 0 "[ . 1 . 2]" 1
284 1 24 ASN HA 1 25 VAL H . . 3.160 2.839 2.701 2.975 . 0 0 "[ . 1 . 2]" 1
285 1 24 ASN HA 1 25 VAL HB . . 5.500 5.120 4.988 5.244 . 0 0 "[ . 1 . 2]" 1
286 1 24 ASN HA 1 25 VAL MG2 . . 4.760 4.624 4.498 4.756 . 0 0 "[ . 1 . 2]" 1
287 1 24 ASN HA 1 41 MET HB2 . . 5.500 4.763 4.536 4.984 . 0 0 "[ . 1 . 2]" 1
288 1 24 ASN HB2 1 24 ASN QD . . 3.420 2.386 2.099 2.718 . 0 0 "[ . 1 . 2]" 1
289 1 24 ASN HB2 1 25 VAL H . . 4.600 4.267 4.117 4.420 . 0 0 "[ . 1 . 2]" 1
290 1 24 ASN HB2 1 25 VAL MG2 . . 5.150 4.828 4.642 4.979 . 0 0 "[ . 1 . 2]" 1
291 1 24 ASN HB2 1 41 MET H . . 4.260 3.414 2.845 4.264 0.004 20 0 "[ . 1 . 2]" 1
292 1 24 ASN HB2 1 41 MET HB2 . . 3.570 2.213 1.994 2.496 . 0 0 "[ . 1 . 2]" 1
293 1 24 ASN HB2 1 41 MET HB3 . . 4.660 3.679 3.415 3.890 . 0 0 "[ . 1 . 2]" 1
294 1 24 ASN HB2 1 41 MET ME . . 4.980 3.737 2.611 4.267 . 0 0 "[ . 1 . 2]" 1
295 1 24 ASN HB3 1 25 VAL H . . 4.450 4.328 4.285 4.375 . 0 0 "[ . 1 . 2]" 1
296 1 24 ASN HB3 1 26 THR MG . . 4.270 4.095 3.807 4.258 . 0 0 "[ . 1 . 2]" 1
297 1 24 ASN HB3 1 41 MET H . . 4.950 4.380 3.993 4.846 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASN HB3 1 41 MET HB2 . . 4.370 3.855 3.485 4.103 . 0 0 "[ . 1 . 2]" 1
299 1 24 ASN HB3 1 41 MET HB3 . . 5.500 5.261 4.867 5.529 0.029 10 0 "[ . 1 . 2]" 1
300 1 24 ASN HB3 1 41 MET ME . . 5.120 4.730 3.878 5.132 0.012 10 0 "[ . 1 . 2]" 1
301 1 24 ASN HB3 1 41 MET QG . . 4.190 2.865 2.643 3.192 . 0 0 "[ . 1 . 2]" 1
302 1 24 ASN QD 1 41 MET HB2 . . 4.340 3.295 2.742 3.798 . 0 0 "[ . 1 . 2]" 1
303 1 24 ASN QD 1 41 MET ME . . 3.920 2.965 1.983 3.764 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASN QD 1 41 MET QG . . 3.830 2.795 1.913 3.783 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASN HD21 1 41 MET ME . . 4.490 3.278 2.109 4.490 0.000 4 0 "[ . 1 . 2]" 1
306 1 24 ASN HD21 1 41 MET QG . . 4.560 2.942 1.927 4.098 . 0 0 "[ . 1 . 2]" 1
307 1 24 ASN HD22 1 41 MET ME . . 4.490 3.479 2.137 4.213 . 0 0 "[ . 1 . 2]" 1
308 1 24 ASN HD22 1 41 MET QG . . 4.560 3.664 2.861 4.523 . 0 0 "[ . 1 . 2]" 1
309 1 25 VAL H 1 25 VAL HB . . 3.070 2.445 2.331 2.508 . 0 0 "[ . 1 . 2]" 1
310 1 25 VAL H 1 25 VAL MG2 . . 2.970 2.335 2.120 2.709 . 0 0 "[ . 1 . 2]" 1
311 1 25 VAL H 1 26 THR H . . 4.500 4.404 4.352 4.497 . 0 0 "[ . 1 . 2]" 1
312 1 25 VAL HA 1 25 VAL MG1 . . 3.270 2.419 2.322 2.527 . 0 0 "[ . 1 . 2]" 1
313 1 25 VAL HA 1 25 VAL MG2 . . 3.270 2.370 2.272 2.428 . 0 0 "[ . 1 . 2]" 1
314 1 25 VAL HA 1 26 THR H . . 2.930 2.147 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
315 1 25 VAL HA 1 39 ARG H . . 5.240 4.709 4.406 5.114 . 0 0 "[ . 1 . 2]" 1
316 1 25 VAL HA 1 40 TRP HA . . 4.410 2.608 2.143 2.984 . 0 0 "[ . 1 . 2]" 1
317 1 25 VAL HA 1 40 TRP HB3 . . 4.560 2.872 2.570 3.193 . 0 0 "[ . 1 . 2]" 1
318 1 25 VAL HB 1 26 THR H . . 4.610 4.379 4.271 4.463 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL HB 1 108 SER QB . . 5.340 3.796 3.361 4.157 . 0 0 "[ . 1 . 2]" 1
320 1 25 VAL MG1 1 26 THR H . . 3.530 2.884 2.544 3.108 . 0 0 "[ . 1 . 2]" 1
321 1 25 VAL MG1 1 27 VAL H . . 5.470 4.930 4.418 5.127 . 0 0 "[ . 1 . 2]" 1
322 1 25 VAL MG1 1 40 TRP HB3 . . 4.170 3.521 2.957 4.077 . 0 0 "[ . 1 . 2]" 1
323 1 25 VAL MG1 1 40 TRP HE3 . . 5.130 4.612 4.162 5.120 . 0 0 "[ . 1 . 2]" 1
324 1 25 VAL MG1 1 96 ILE MD . . 3.330 2.721 2.296 3.169 . 0 0 "[ . 1 . 2]" 1
325 1 25 VAL MG1 1 96 ILE HG13 . . 4.330 2.926 2.539 3.457 . 0 0 "[ . 1 . 2]" 1
326 1 25 VAL MG2 1 40 TRP HA . . 3.900 3.420 2.924 3.831 . 0 0 "[ . 1 . 2]" 1
327 1 25 VAL MG2 1 40 TRP HB2 . . 3.550 2.733 2.290 3.252 . 0 0 "[ . 1 . 2]" 1
328 1 25 VAL MG2 1 40 TRP HB3 . . 3.640 2.796 2.428 3.150 . 0 0 "[ . 1 . 2]" 1
329 1 25 VAL MG2 1 41 MET H . . 4.240 3.509 2.897 3.953 . 0 0 "[ . 1 . 2]" 1
330 1 25 VAL MG2 1 96 ILE H . . 4.490 4.094 3.683 4.400 . 0 0 "[ . 1 . 2]" 1
331 1 25 VAL MG2 1 96 ILE HB . . 4.240 2.956 2.571 3.252 . 0 0 "[ . 1 . 2]" 1
332 1 25 VAL MG2 1 96 ILE MD . . 3.350 3.015 2.586 3.354 0.004 17 0 "[ . 1 . 2]" 1
333 1 25 VAL MG2 1 96 ILE MG . . 4.160 3.831 3.427 4.096 . 0 0 "[ . 1 . 2]" 1
334 1 25 VAL MG2 1 108 SER HA . . 5.150 4.719 4.371 4.942 . 0 0 "[ . 1 . 2]" 1
335 1 25 VAL MG2 1 108 SER HB2 . . 4.280 2.808 2.454 3.042 . 0 0 "[ . 1 . 2]" 1
336 1 25 VAL MG2 1 108 SER HB3 . . 4.280 2.794 2.470 3.009 . 0 0 "[ . 1 . 2]" 1
337 1 25 VAL MG2 1 108 SER HG . . 3.970 3.231 2.289 3.741 . 0 0 "[ . 1 . 2]" 1
338 1 25 VAL MG2 1 109 ASP H . . 4.650 4.441 4.067 4.655 0.005 14 0 "[ . 1 . 2]" 1
339 1 26 THR H 1 26 THR HB . . 4.030 3.716 3.387 3.855 . 0 0 "[ . 1 . 2]" 1
340 1 26 THR H 1 26 THR MG . . 3.880 2.981 1.875 3.418 . 0 0 "[ . 1 . 2]" 1
341 1 26 THR H 1 27 VAL H . . 4.700 4.452 4.371 4.522 . 0 0 "[ . 1 . 2]" 1
342 1 26 THR H 1 27 VAL MG2 . . 4.450 4.073 3.720 4.297 . 0 0 "[ . 1 . 2]" 1
343 1 26 THR H 1 38 ILE MG . . 4.590 3.667 3.159 4.204 . 0 0 "[ . 1 . 2]" 1
344 1 26 THR H 1 39 ARG H . . 3.860 3.127 2.788 3.481 . 0 0 "[ . 1 . 2]" 1
345 1 26 THR H 1 39 ARG QB . . 4.820 3.847 3.556 4.186 . 0 0 "[ . 1 . 2]" 1
346 1 26 THR H 1 40 TRP HA . . 3.870 3.615 3.125 3.875 0.005 19 0 "[ . 1 . 2]" 1
347 1 26 THR H 1 40 TRP HB2 . . 5.500 5.206 4.774 5.463 . 0 0 "[ . 1 . 2]" 1
348 1 26 THR H 1 40 TRP HB3 . . 4.570 4.045 3.633 4.363 . 0 0 "[ . 1 . 2]" 1
349 1 26 THR H 1 96 ILE MD . . 4.540 4.253 3.860 4.534 . 0 0 "[ . 1 . 2]" 1
350 1 26 THR HA 1 26 THR MG . . 3.070 2.352 2.095 3.167 0.097 14 0 "[ . 1 . 2]" 1
351 1 26 THR HA 1 27 VAL H . . 2.850 2.402 2.200 2.477 . 0 0 "[ . 1 . 2]" 1
352 1 26 THR HA 1 27 VAL HB . . 4.610 4.503 4.306 4.603 . 0 0 "[ . 1 . 2]" 1
353 1 26 THR HA 1 39 ARG H . . 5.500 5.033 4.769 5.223 . 0 0 "[ . 1 . 2]" 1
354 1 26 THR HB 1 27 VAL H . . 3.480 2.592 2.223 3.481 0.001 14 0 "[ . 1 . 2]" 1
355 1 26 THR HB 1 28 PHE QE . . 4.330 2.963 2.138 4.075 . 0 0 "[ . 1 . 2]" 1
356 1 26 THR HB 1 39 ARG H . . 4.840 4.653 4.229 4.857 0.017 19 0 "[ . 1 . 2]" 1
357 1 26 THR HB 1 39 ARG QB . . 4.940 4.346 3.851 4.836 . 0 0 "[ . 1 . 2]" 1
358 1 26 THR MG 1 27 VAL H . . 3.620 3.503 3.328 3.639 0.019 18 0 "[ . 1 . 2]" 1
359 1 26 THR MG 1 28 PHE QD . . 4.960 4.382 3.077 4.959 . 0 0 "[ . 1 . 2]" 1
360 1 26 THR MG 1 28 PHE QE . . 4.010 3.207 2.014 3.828 . 0 0 "[ . 1 . 2]" 1
361 1 27 VAL H 1 27 VAL HB . . 3.590 2.813 2.727 2.891 . 0 0 "[ . 1 . 2]" 1
362 1 27 VAL H 1 27 VAL MG1 . . 4.130 3.897 3.825 3.942 . 0 0 "[ . 1 . 2]" 1
363 1 27 VAL H 1 27 VAL MG2 . . 3.500 3.022 2.885 3.233 . 0 0 "[ . 1 . 2]" 1
364 1 27 VAL H 1 28 PHE H . . 4.230 4.111 3.965 4.236 0.006 5 0 "[ . 1 . 2]" 1
365 1 27 VAL HA 1 27 VAL MG1 . . 3.500 2.434 2.356 2.509 . 0 0 "[ . 1 . 2]" 1
366 1 27 VAL HA 1 27 VAL MG2 . . 3.360 2.341 2.267 2.458 . 0 0 "[ . 1 . 2]" 1
367 1 27 VAL HA 1 28 PHE H . . 2.920 2.147 2.140 2.165 . 0 0 "[ . 1 . 2]" 1
368 1 27 VAL HA 1 111 VAL QG . . 5.100 4.794 4.517 5.020 . 0 0 "[ . 1 . 2]" 1
369 1 27 VAL HB 1 28 PHE H . . 4.570 4.291 4.143 4.423 . 0 0 "[ . 1 . 2]" 1
370 1 27 VAL HB 1 111 VAL QG . . 3.210 2.786 2.140 3.215 0.005 7 0 "[ . 1 . 2]" 1
371 1 27 VAL MG1 1 28 PHE H . . 3.410 2.713 2.240 3.036 . 0 0 "[ . 1 . 2]" 1
372 1 27 VAL MG1 1 28 PHE HB2 . . 5.500 4.671 4.405 4.949 . 0 0 "[ . 1 . 2]" 1
373 1 27 VAL MG1 1 28 PHE HB3 . . 5.500 5.225 5.044 5.398 . 0 0 "[ . 1 . 2]" 1
374 1 27 VAL MG1 1 28 PHE QD . . 5.030 4.741 4.162 5.026 . 0 0 "[ . 1 . 2]" 1
375 1 27 VAL MG2 1 39 ARG H . . 4.630 4.216 3.442 4.591 . 0 0 "[ . 1 . 2]" 1
376 1 28 PHE H 1 28 PHE HB2 . . 3.900 2.435 2.291 2.618 . 0 0 "[ . 1 . 2]" 1
377 1 28 PHE H 1 28 PHE QB . . 3.340 2.400 2.263 2.571 . 0 0 "[ . 1 . 2]" 1
378 1 28 PHE H 1 28 PHE HB3 . . 3.900 3.635 3.522 3.766 . 0 0 "[ . 1 . 2]" 1
379 1 28 PHE H 1 28 PHE QD . . 4.280 2.877 2.479 3.134 . 0 0 "[ . 1 . 2]" 1
380 1 28 PHE H 1 36 VAL QG . . 3.540 3.423 3.193 3.543 0.003 17 0 "[ . 1 . 2]" 1
381 1 28 PHE H 1 37 ASP H . . 3.960 3.619 3.331 3.940 . 0 0 "[ . 1 . 2]" 1
382 1 28 PHE H 1 37 ASP HB2 . . 4.830 3.978 3.060 4.822 . 0 0 "[ . 1 . 2]" 1
383 1 28 PHE H 1 37 ASP QB . . 4.140 3.156 2.624 3.543 . 0 0 "[ . 1 . 2]" 1
384 1 28 PHE H 1 37 ASP HB3 . . 4.830 3.534 2.655 4.336 . 0 0 "[ . 1 . 2]" 1
385 1 28 PHE H 1 38 ILE HG13 . . 4.970 3.965 3.534 4.735 . 0 0 "[ . 1 . 2]" 1
386 1 28 PHE H 1 38 ILE MG . . 5.160 4.794 4.520 5.120 . 0 0 "[ . 1 . 2]" 1
387 1 28 PHE HA 1 37 ASP H . . 5.250 4.930 4.795 5.146 . 0 0 "[ . 1 . 2]" 1
388 1 28 PHE QB 1 29 LEU H . . 3.580 3.059 2.624 3.327 . 0 0 "[ . 1 . 2]" 1
389 1 28 PHE QB 1 36 VAL QG . . 4.610 4.309 3.904 4.604 . 0 0 "[ . 1 . 2]" 1
390 1 28 PHE QB 1 37 ASP H . . 4.230 3.472 3.177 3.779 . 0 0 "[ . 1 . 2]" 1
391 1 28 PHE QB 1 37 ASP QB . . 3.390 2.100 1.870 2.397 . 0 0 "[ . 1 . 2]" 1
392 1 28 PHE HB2 1 29 LEU H . . 4.440 4.218 3.803 4.413 . 0 0 "[ . 1 . 2]" 1
393 1 28 PHE HB2 1 37 ASP H . . 4.820 3.703 3.291 4.032 . 0 0 "[ . 1 . 2]" 1
394 1 28 PHE HB2 1 37 ASP HB2 . . 4.680 2.816 2.089 3.620 . 0 0 "[ . 1 . 2]" 1
395 1 28 PHE HB2 1 37 ASP HB3 . . 4.680 2.553 2.000 3.335 . 0 0 "[ . 1 . 2]" 1
396 1 28 PHE HB3 1 29 LEU H . . 4.440 3.143 2.675 3.441 . 0 0 "[ . 1 . 2]" 1
397 1 28 PHE HB3 1 37 ASP H . . 4.820 4.237 3.588 4.789 . 0 0 "[ . 1 . 2]" 1
398 1 28 PHE HB3 1 37 ASP HB2 . . 4.680 3.602 2.261 4.632 . 0 0 "[ . 1 . 2]" 1
399 1 28 PHE HB3 1 37 ASP HB3 . . 4.680 3.901 3.073 4.648 . 0 0 "[ . 1 . 2]" 1
400 1 28 PHE QD 1 29 LEU H . . 4.430 3.944 3.511 4.368 . 0 0 "[ . 1 . 2]" 1
401 1 28 PHE QD 1 37 ASP HB2 . . 5.070 4.614 3.634 5.072 0.002 12 0 "[ . 1 . 2]" 1
402 1 28 PHE QD 1 37 ASP QB . . 4.230 3.677 3.030 4.220 . 0 0 "[ . 1 . 2]" 1
403 1 28 PHE QD 1 37 ASP HB3 . . 5.070 4.006 3.068 4.904 . 0 0 "[ . 1 . 2]" 1
404 1 29 LEU H 1 29 LEU HB2 . . 3.450 3.135 2.860 3.292 . 0 0 "[ . 1 . 2]" 1
405 1 29 LEU H 1 29 LEU QB . . 3.020 2.287 2.183 2.393 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU H 1 29 LEU HB3 . . 3.450 2.352 2.225 2.462 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU H 1 29 LEU MD2 . . 4.290 4.159 4.075 4.260 . 0 0 "[ . 1 . 2]" 1
408 1 29 LEU H 1 29 LEU HG . . 4.500 4.188 4.014 4.319 . 0 0 "[ . 1 . 2]" 1
409 1 29 LEU H 1 113 ILE MD . . 4.000 3.733 3.160 3.995 . 0 0 "[ . 1 . 2]" 1
410 1 29 LEU HA 1 29 LEU MD1 . . 3.070 2.366 2.137 2.641 . 0 0 "[ . 1 . 2]" 1
411 1 29 LEU HA 1 30 ASN QB . . 4.630 4.199 3.954 4.593 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU HA 1 113 ILE MD . . 4.210 3.925 3.657 4.187 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU QB 1 113 ILE MD . . 3.550 2.095 1.826 2.490 . 0 0 "[ . 1 . 2]" 1
414 1 29 LEU HB2 1 29 LEU MD1 . . 3.560 2.231 2.056 2.336 . 0 0 "[ . 1 . 2]" 1
415 1 29 LEU HB2 1 29 LEU MD2 . . 3.380 2.547 2.424 2.643 . 0 0 "[ . 1 . 2]" 1
416 1 29 LEU HB3 1 29 LEU MD1 . . 3.560 3.165 3.136 3.181 . 0 0 "[ . 1 . 2]" 1
417 1 29 LEU HB3 1 29 LEU MD2 . . 3.380 2.110 2.010 2.249 . 0 0 "[ . 1 . 2]" 1
418 1 29 LEU MD1 1 30 ASN H . . 3.720 2.740 1.752 3.257 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU MD1 1 31 GLU HA . . 4.140 4.026 3.826 4.139 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU MD1 1 31 GLU QG . . 4.400 4.152 3.554 4.399 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU MD1 1 35 ASN H . . 4.640 4.069 3.509 4.629 . 0 0 "[ . 1 . 2]" 1
422 1 29 LEU MD1 1 85 VAL HB . . 5.500 5.343 4.867 5.503 0.003 14 0 "[ . 1 . 2]" 1
423 1 29 LEU MD1 1 85 VAL MG1 . . 4.460 4.142 3.843 4.369 . 0 0 "[ . 1 . 2]" 1
424 1 29 LEU MD1 1 116 PRO HD2 . . 4.790 2.812 2.218 3.442 . 0 0 "[ . 1 . 2]" 1
425 1 29 LEU MD1 1 116 PRO QD . . 4.080 2.748 2.164 3.342 . 0 0 "[ . 1 . 2]" 1
426 1 29 LEU MD1 1 116 PRO HD3 . . 4.790 3.875 3.011 4.532 . 0 0 "[ . 1 . 2]" 1
427 1 29 LEU MD1 1 116 PRO QG . . 4.210 3.494 2.885 3.937 . 0 0 "[ . 1 . 2]" 1
428 1 29 LEU MD2 1 31 GLU HA . . 4.540 4.304 3.960 4.529 . 0 0 "[ . 1 . 2]" 1
429 1 29 LEU MD2 1 31 GLU QG . . 3.860 3.171 2.429 3.861 0.001 4 0 "[ . 1 . 2]" 1
430 1 29 LEU MD2 1 113 ILE MD . . 3.730 2.818 2.070 3.435 . 0 0 "[ . 1 . 2]" 1
431 1 29 LEU MD2 1 115 ILE HA . . 3.490 3.031 2.376 3.470 . 0 0 "[ . 1 . 2]" 1
432 1 29 LEU MD2 1 115 ILE MD . . 4.250 3.426 2.396 3.876 . 0 0 "[ . 1 . 2]" 1
433 1 29 LEU MD2 1 116 PRO HD2 . . 3.700 2.195 1.977 2.556 . 0 0 "[ . 1 . 2]" 1
434 1 29 LEU MD2 1 116 PRO QD . . 3.230 1.999 1.858 2.183 . 0 0 "[ . 1 . 2]" 1
435 1 29 LEU MD2 1 116 PRO HD3 . . 3.700 2.356 2.028 2.765 . 0 0 "[ . 1 . 2]" 1
436 1 29 LEU MD2 1 116 PRO QG . . 3.690 2.227 1.865 2.902 . 0 0 "[ . 1 . 2]" 1
437 1 29 LEU HG 1 31 GLU HA . . 4.340 3.900 3.623 4.232 . 0 0 "[ . 1 . 2]" 1
438 1 29 LEU HG 1 31 GLU QG . . 4.480 3.261 2.773 3.937 . 0 0 "[ . 1 . 2]" 1
439 1 30 ASN H 1 30 ASN QB . . 3.690 2.337 2.158 2.832 . 0 0 "[ . 1 . 2]" 1
440 1 30 ASN QB 1 31 GLU H . . 4.310 3.510 3.254 3.870 . 0 0 "[ . 1 . 2]" 1
441 1 30 ASN QB 1 35 ASN H . . 4.190 2.823 1.946 3.530 . 0 0 "[ . 1 . 2]" 1
442 1 30 ASN QB 1 35 ASN QB . . 4.720 3.865 2.391 4.688 . 0 0 "[ . 1 . 2]" 1
443 1 30 ASN HB2 1 31 GLU H . . 4.920 4.375 3.500 4.538 . 0 0 "[ . 1 . 2]" 1
444 1 30 ASN HB3 1 31 GLU H . . 4.920 3.732 3.358 4.230 . 0 0 "[ . 1 . 2]" 1
445 1 30 ASN QD 1 35 ASN QB . . 5.340 4.343 2.155 5.328 . 0 0 "[ . 1 . 2]" 1
446 1 31 GLU H 1 31 GLU HB2 . . 4.060 2.343 2.224 2.523 . 0 0 "[ . 1 . 2]" 1
447 1 31 GLU H 1 31 GLU QB . . 3.550 2.313 2.201 2.480 . 0 0 "[ . 1 . 2]" 1
448 1 31 GLU H 1 31 GLU HB3 . . 4.060 3.574 3.508 3.649 . 0 0 "[ . 1 . 2]" 1
449 1 31 GLU H 1 31 GLU HG2 . . 5.010 3.630 2.615 4.268 . 0 0 "[ . 1 . 2]" 1
450 1 31 GLU H 1 31 GLU QG . . 4.280 2.856 2.288 3.370 . 0 0 "[ . 1 . 2]" 1
451 1 31 GLU H 1 31 GLU HG3 . . 5.010 3.171 2.310 3.875 . 0 0 "[ . 1 . 2]" 1
452 1 31 GLU HA 1 31 GLU QG . . 3.430 2.383 2.206 2.656 . 0 0 "[ . 1 . 2]" 1
453 1 33 SER H 1 35 ASN H . . 4.590 4.365 3.259 4.601 0.011 14 0 "[ . 1 . 2]" 1
454 1 33 SER QB 1 35 ASN H . . 4.780 3.524 2.748 4.163 . 0 0 "[ . 1 . 2]" 1
455 1 33 SER QB 1 35 ASN HD21 . . 4.070 2.715 1.869 3.739 . 0 0 "[ . 1 . 2]" 1
456 1 33 SER QB 1 35 ASN HD22 . . 4.070 2.472 1.905 3.899 . 0 0 "[ . 1 . 2]" 1
457 1 35 ASN H 1 35 ASN QB . . 3.900 3.072 2.545 3.378 . 0 0 "[ . 1 . 2]" 1
458 1 35 ASN H 1 36 VAL QG . . 5.440 4.158 3.842 4.630 . 0 0 "[ . 1 . 2]" 1
459 1 35 ASN H 1 85 VAL MG2 . . 4.310 3.231 2.543 3.773 . 0 0 "[ . 1 . 2]" 1
460 1 35 ASN HA 1 36 VAL H . . 3.060 2.357 2.167 2.565 . 0 0 "[ . 1 . 2]" 1
461 1 35 ASN HA 1 36 VAL HB . . 4.800 4.689 4.562 4.786 . 0 0 "[ . 1 . 2]" 1
462 1 35 ASN HA 1 36 VAL QG . . 4.050 3.326 3.104 3.535 . 0 0 "[ . 1 . 2]" 1
463 1 35 ASN HA 1 84 SER H . . 5.110 4.786 4.421 5.085 . 0 0 "[ . 1 . 2]" 1
464 1 35 ASN HA 1 84 SER HA . . 3.480 2.575 2.216 2.833 . 0 0 "[ . 1 . 2]" 1
465 1 35 ASN HA 1 84 SER QB . . 4.850 4.626 4.312 4.829 . 0 0 "[ . 1 . 2]" 1
466 1 35 ASN HA 1 85 VAL H . . 3.830 2.503 1.980 3.127 . 0 0 "[ . 1 . 2]" 1
467 1 35 ASN HA 1 85 VAL MG2 . . 3.580 2.751 2.359 3.394 . 0 0 "[ . 1 . 2]" 1
468 1 35 ASN QB 1 36 VAL H . . 3.400 2.548 2.078 3.089 . 0 0 "[ . 1 . 2]" 1
469 1 35 ASN QB 1 36 VAL QG . . 4.420 4.167 3.914 4.411 . 0 0 "[ . 1 . 2]" 1
470 1 35 ASN QB 1 82 ARG HA . . 4.730 4.392 4.156 4.663 . 0 0 "[ . 1 . 2]" 1
471 1 35 ASN QB 1 82 ARG HB3 . . 4.560 4.464 4.294 4.567 0.007 16 0 "[ . 1 . 2]" 1
472 1 35 ASN QB 1 82 ARG HD2 . . 4.350 2.927 1.972 4.347 . 0 0 "[ . 1 . 2]" 1
473 1 35 ASN QB 1 82 ARG QD . . 3.780 2.433 1.934 3.345 . 0 0 "[ . 1 . 2]" 1
474 1 35 ASN QB 1 82 ARG HD3 . . 4.350 3.214 1.945 4.135 . 0 0 "[ . 1 . 2]" 1
475 1 35 ASN QB 1 82 ARG QG . . 3.620 2.064 1.936 2.206 . 0 0 "[ . 1 . 2]" 1
476 1 35 ASN QB 1 83 ILE H . . 4.250 3.445 3.066 4.004 . 0 0 "[ . 1 . 2]" 1
477 1 35 ASN QB 1 84 SER HA . . 3.930 3.312 2.571 3.859 . 0 0 "[ . 1 . 2]" 1
478 1 35 ASN QB 1 84 SER HG . . 5.500 4.301 3.348 5.385 . 0 0 "[ . 1 . 2]" 1
479 1 35 ASN QB 1 85 VAL H . . 5.500 4.170 3.629 4.638 . 0 0 "[ . 1 . 2]" 1
480 1 35 ASN QB 1 85 VAL MG2 . . 4.590 4.274 3.939 4.592 0.002 14 0 "[ . 1 . 2]" 1
481 1 35 ASN QD 1 82 ARG QD . . 3.720 2.835 1.913 3.654 . 0 0 "[ . 1 . 2]" 1
482 1 36 VAL H 1 36 VAL HB . . 3.550 2.676 2.559 2.790 . 0 0 "[ . 1 . 2]" 1
483 1 36 VAL H 1 36 VAL MG1 . . 3.980 3.863 3.800 3.911 . 0 0 "[ . 1 . 2]" 1
484 1 36 VAL H 1 36 VAL QG . . 3.300 2.629 2.204 2.848 . 0 0 "[ . 1 . 2]" 1
485 1 36 VAL H 1 36 VAL MG2 . . 3.980 2.678 2.219 2.928 . 0 0 "[ . 1 . 2]" 1
486 1 36 VAL H 1 82 ARG HA . . 4.490 4.069 3.769 4.392 . 0 0 "[ . 1 . 2]" 1
487 1 36 VAL H 1 82 ARG QG . . 4.570 3.023 2.608 3.464 . 0 0 "[ . 1 . 2]" 1
488 1 36 VAL H 1 83 ILE H . . 3.650 2.410 2.234 2.627 . 0 0 "[ . 1 . 2]" 1
489 1 36 VAL H 1 83 ILE HB . . 4.360 3.513 2.989 3.839 . 0 0 "[ . 1 . 2]" 1
490 1 36 VAL H 1 83 ILE MD . . 5.500 4.904 4.445 5.306 . 0 0 "[ . 1 . 2]" 1
491 1 36 VAL H 1 83 ILE HG12 . . 5.500 5.480 5.382 5.505 0.005 13 0 "[ . 1 . 2]" 1
492 1 36 VAL H 1 83 ILE HG13 . . 4.480 4.221 4.024 4.406 . 0 0 "[ . 1 . 2]" 1
493 1 36 VAL H 1 84 SER H . . 5.150 4.982 4.733 5.150 0.000 15 0 "[ . 1 . 2]" 1
494 1 36 VAL H 1 85 VAL H . . 4.760 4.148 3.828 4.600 . 0 0 "[ . 1 . 2]" 1
495 1 36 VAL HA 1 36 VAL MG1 . . 3.190 2.358 2.249 2.444 . 0 0 "[ . 1 . 2]" 1
496 1 36 VAL HA 1 36 VAL MG2 . . 3.190 2.421 2.307 2.502 . 0 0 "[ . 1 . 2]" 1
497 1 36 VAL HA 1 37 ASP H . . 3.070 2.158 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
498 1 36 VAL HA 1 37 ASP QB . . 4.900 4.123 3.964 4.424 . 0 0 "[ . 1 . 2]" 1
499 1 36 VAL HA 1 38 ILE MD . . 5.430 4.567 4.281 5.425 . 0 0 "[ . 1 . 2]" 1
500 1 36 VAL HB 1 37 ASP H . . 4.550 4.168 3.878 4.384 . 0 0 "[ . 1 . 2]" 1
501 1 36 VAL HB 1 38 ILE MD . . 3.990 3.135 2.880 3.537 . 0 0 "[ . 1 . 2]" 1
502 1 36 VAL HB 1 83 ILE H . . 4.700 3.202 2.865 3.622 . 0 0 "[ . 1 . 2]" 1
503 1 36 VAL HB 1 83 ILE HB . . 4.040 2.919 2.433 3.368 . 0 0 "[ . 1 . 2]" 1
504 1 36 VAL HB 1 83 ILE MD . . 3.870 3.315 2.810 3.784 . 0 0 "[ . 1 . 2]" 1
505 1 36 VAL HB 1 83 ILE HG13 . . 3.620 3.227 2.806 3.585 . 0 0 "[ . 1 . 2]" 1
506 1 36 VAL QG 1 37 ASP H . . 3.390 2.524 1.948 2.999 . 0 0 "[ . 1 . 2]" 1
507 1 36 VAL QG 1 37 ASP HA . . 5.040 3.905 3.646 4.110 . 0 0 "[ . 1 . 2]" 1
508 1 36 VAL QG 1 37 ASP QB . . 4.350 3.949 3.724 4.097 . 0 0 "[ . 1 . 2]" 1
509 1 36 VAL QG 1 61 TRP HH2 . . 3.530 2.998 2.648 3.317 . 0 0 "[ . 1 . 2]" 1
510 1 36 VAL QG 1 61 TRP HZ2 . . 3.900 3.749 3.397 3.895 . 0 0 "[ . 1 . 2]" 1
511 1 36 VAL QG 1 83 ILE HB . . 3.820 3.178 2.900 3.592 . 0 0 "[ . 1 . 2]" 1
512 1 36 VAL QG 1 83 ILE MD . . 4.180 3.291 2.823 3.660 . 0 0 "[ . 1 . 2]" 1
513 1 36 VAL QG 1 85 VAL H . . 4.790 3.769 3.396 4.008 . 0 0 "[ . 1 . 2]" 1
514 1 36 VAL QG 1 85 VAL HA . . 3.990 3.655 3.074 3.937 . 0 0 "[ . 1 . 2]" 1
515 1 36 VAL QG 1 85 VAL HB . . 5.440 4.868 4.626 5.248 . 0 0 "[ . 1 . 2]" 1
516 1 36 VAL MG1 1 37 ASP H . . 4.170 2.552 1.953 3.076 . 0 0 "[ . 1 . 2]" 1
517 1 36 VAL MG2 1 37 ASP H . . 4.170 4.106 3.882 4.170 0.000 6 0 "[ . 1 . 2]" 1
518 1 37 ASP H 1 37 ASP HB2 . . 3.830 2.364 2.209 2.626 . 0 0 "[ . 1 . 2]" 1
519 1 37 ASP H 1 37 ASP QB . . 3.290 2.281 2.181 2.452 . 0 0 "[ . 1 . 2]" 1
520 1 37 ASP H 1 37 ASP HB3 . . 3.830 3.192 2.787 3.639 . 0 0 "[ . 1 . 2]" 1
521 1 37 ASP H 1 38 ILE HG13 . . 5.060 4.585 4.305 4.852 . 0 0 "[ . 1 . 2]" 1
522 1 37 ASP HA 1 38 ILE H . . 2.980 2.243 2.159 2.308 . 0 0 "[ . 1 . 2]" 1
523 1 37 ASP HA 1 38 ILE HB . . 4.980 4.669 4.551 4.844 . 0 0 "[ . 1 . 2]" 1
524 1 37 ASP HA 1 38 ILE MD . . 4.690 2.671 2.385 4.433 . 0 0 "[ . 1 . 2]" 1
525 1 37 ASP HA 1 38 ILE HG12 . . 5.500 5.301 5.033 5.442 . 0 0 "[ . 1 . 2]" 1
526 1 37 ASP HA 1 38 ILE HG13 . . 4.670 4.059 3.361 4.356 . 0 0 "[ . 1 . 2]" 1
527 1 37 ASP HA 1 81 ALA H . . 5.190 4.797 4.367 5.138 . 0 0 "[ . 1 . 2]" 1
528 1 37 ASP HA 1 82 ARG HA . . 3.760 2.986 2.498 3.600 . 0 0 "[ . 1 . 2]" 1
529 1 37 ASP HA 1 82 ARG HB2 . . 4.370 3.799 3.171 4.252 . 0 0 "[ . 1 . 2]" 1
530 1 37 ASP HA 1 82 ARG QG . . 4.500 3.484 2.775 3.943 . 0 0 "[ . 1 . 2]" 1
531 1 37 ASP QB 1 38 ILE H . . 3.860 3.140 2.691 3.641 . 0 0 "[ . 1 . 2]" 1
532 1 37 ASP HB2 1 38 ILE H . . 4.400 4.163 3.868 4.384 . 0 0 "[ . 1 . 2]" 1
533 1 37 ASP HB3 1 38 ILE H . . 4.400 3.273 2.737 3.891 . 0 0 "[ . 1 . 2]" 1
534 1 38 ILE H 1 38 ILE HB . . 3.600 2.898 2.811 2.959 . 0 0 "[ . 1 . 2]" 1
535 1 38 ILE H 1 38 ILE MD . . 3.780 2.551 2.177 3.681 . 0 0 "[ . 1 . 2]" 1
536 1 38 ILE H 1 38 ILE HG12 . . 4.760 4.413 4.041 4.556 . 0 0 "[ . 1 . 2]" 1
537 1 38 ILE H 1 38 ILE HG13 . . 3.850 3.418 2.635 3.667 . 0 0 "[ . 1 . 2]" 1
538 1 38 ILE H 1 40 TRP HZ3 . . 5.240 4.474 4.187 5.016 . 0 0 "[ . 1 . 2]" 1
539 1 38 ILE H 1 80 ARG QG . . 4.460 3.495 2.776 4.444 . 0 0 "[ . 1 . 2]" 1
540 1 38 ILE H 1 81 ALA H . . 3.790 3.068 2.583 3.433 . 0 0 "[ . 1 . 2]" 1
541 1 38 ILE H 1 81 ALA MB . . 4.400 4.142 3.835 4.345 . 0 0 "[ . 1 . 2]" 1
542 1 38 ILE H 1 82 ARG HA . . 4.240 3.964 3.679 4.239 . 0 0 "[ . 1 . 2]" 1
543 1 38 ILE HA 1 38 ILE MD . . 4.000 3.487 3.347 3.956 . 0 0 "[ . 1 . 2]" 1
544 1 38 ILE HA 1 38 ILE HG12 . . 3.880 3.515 2.884 3.678 . 0 0 "[ . 1 . 2]" 1
545 1 38 ILE HA 1 38 ILE HG13 . . 4.130 2.514 2.374 2.922 . 0 0 "[ . 1 . 2]" 1
546 1 38 ILE HA 1 38 ILE MG . . 3.280 2.253 2.164 2.409 . 0 0 "[ . 1 . 2]" 1
547 1 38 ILE HA 1 39 ARG H . . 2.980 2.170 2.140 2.208 . 0 0 "[ . 1 . 2]" 1
548 1 38 ILE HB 1 38 ILE MD . . 3.210 2.204 2.136 2.278 . 0 0 "[ . 1 . 2]" 1
549 1 38 ILE HB 1 40 TRP HZ3 . . 4.190 2.404 2.077 2.800 . 0 0 "[ . 1 . 2]" 1
550 1 38 ILE HB 1 81 ALA H . . 4.340 2.952 2.641 3.260 . 0 0 "[ . 1 . 2]" 1
551 1 38 ILE HB 1 81 ALA MB . . 3.460 2.644 2.324 2.943 . 0 0 "[ . 1 . 2]" 1
552 1 38 ILE HB 1 96 ILE MD . . 4.300 3.573 3.378 3.905 . 0 0 "[ . 1 . 2]" 1
553 1 38 ILE MD 1 38 ILE MG . . 3.160 3.060 2.289 3.164 0.004 14 0 "[ . 1 . 2]" 1
554 1 38 ILE MD 1 81 ALA H . . 4.590 3.598 3.144 4.017 . 0 0 "[ . 1 . 2]" 1
555 1 38 ILE MD 1 81 ALA MB . . 3.500 2.251 2.008 2.471 . 0 0 "[ . 1 . 2]" 1
556 1 38 ILE MD 1 82 ARG HA . . 4.430 2.580 2.424 2.745 . 0 0 "[ . 1 . 2]" 1
557 1 38 ILE MD 1 82 ARG HB2 . . 4.680 4.374 4.130 4.674 . 0 0 "[ . 1 . 2]" 1
558 1 38 ILE MD 1 83 ILE H . . 3.760 3.282 2.964 3.584 . 0 0 "[ . 1 . 2]" 1
559 1 38 ILE MD 1 83 ILE HA . . 5.500 4.870 4.563 5.158 . 0 0 "[ . 1 . 2]" 1
560 1 38 ILE MD 1 83 ILE MD . . 3.300 2.558 2.126 3.064 . 0 0 "[ . 1 . 2]" 1
561 1 38 ILE MD 1 83 ILE HG13 . . 3.400 2.232 1.957 2.630 . 0 0 "[ . 1 . 2]" 1
562 1 38 ILE MD 1 96 ILE MD . . 4.560 4.406 3.785 4.561 0.001 3 0 "[ . 1 . 2]" 1
563 1 38 ILE HG12 1 39 ARG H . . 5.290 5.130 4.723 5.302 0.012 16 0 "[ . 1 . 2]" 1
564 1 38 ILE HG12 1 57 ILE MD . . 4.640 4.136 3.889 4.642 0.002 11 0 "[ . 1 . 2]" 1
565 1 38 ILE HG12 1 81 ALA MB . . 4.280 4.002 3.731 4.275 . 0 0 "[ . 1 . 2]" 1
566 1 38 ILE HG12 1 83 ILE HG13 . . 5.180 4.398 4.083 4.834 . 0 0 "[ . 1 . 2]" 1
567 1 38 ILE HG13 1 38 ILE MG . . 3.580 2.727 2.621 3.151 . 0 0 "[ . 1 . 2]" 1
568 1 38 ILE HG13 1 57 ILE MD . . 5.500 5.291 4.906 5.503 0.003 19 0 "[ . 1 . 2]" 1
569 1 38 ILE HG13 1 81 ALA MB . . 4.950 4.626 3.932 4.859 . 0 0 "[ . 1 . 2]" 1
570 1 38 ILE HG13 1 82 ARG HA . . 5.160 4.951 3.434 5.161 0.001 16 0 "[ . 1 . 2]" 1
571 1 38 ILE MG 1 39 ARG H . . 3.380 2.442 2.068 2.748 . 0 0 "[ . 1 . 2]" 1
572 1 38 ILE MG 1 40 TRP H . . 4.640 4.409 4.058 4.639 . 0 0 "[ . 1 . 2]" 1
573 1 38 ILE MG 1 40 TRP HB3 . . 4.790 3.682 3.482 3.939 . 0 0 "[ . 1 . 2]" 1
574 1 38 ILE MG 1 40 TRP HE3 . . 3.180 2.101 1.962 2.380 . 0 0 "[ . 1 . 2]" 1
575 1 38 ILE MG 1 40 TRP HH2 . . 5.080 4.582 3.936 5.009 . 0 0 "[ . 1 . 2]" 1
576 1 38 ILE MG 1 40 TRP HZ3 . . 3.570 2.593 1.982 3.062 . 0 0 "[ . 1 . 2]" 1
577 1 38 ILE MG 1 57 ILE MD . . 3.730 3.321 2.767 3.729 . 0 0 "[ . 1 . 2]" 1
578 1 38 ILE MG 1 81 ALA H . . 4.520 4.157 3.718 4.511 . 0 0 "[ . 1 . 2]" 1
579 1 38 ILE MG 1 81 ALA MB . . 4.000 3.472 2.955 3.789 . 0 0 "[ . 1 . 2]" 1
580 1 38 ILE MG 1 96 ILE MD . . 3.000 1.810 1.751 1.921 . 0 0 "[ . 1 . 2]" 1
581 1 39 ARG H 1 39 ARG QB . . 3.560 2.589 2.478 2.694 . 0 0 "[ . 1 . 2]" 1
582 1 39 ARG H 1 39 ARG HD2 . . 5.240 4.948 3.626 5.270 0.030 4 0 "[ . 1 . 2]" 1
583 1 39 ARG H 1 39 ARG HD3 . . 5.240 4.954 4.417 5.229 . 0 0 "[ . 1 . 2]" 1
584 1 39 ARG H 1 39 ARG QG . . 4.590 4.147 3.546 4.299 . 0 0 "[ . 1 . 2]" 1
585 1 39 ARG H 1 40 TRP H . . 4.560 4.315 4.194 4.426 . 0 0 "[ . 1 . 2]" 1
586 1 39 ARG H 1 40 TRP HE3 . . 4.570 3.578 3.068 3.989 . 0 0 "[ . 1 . 2]" 1
587 1 39 ARG H 1 40 TRP HZ3 . . 5.500 4.698 4.051 5.196 . 0 0 "[ . 1 . 2]" 1
588 1 39 ARG H 1 96 ILE MD . . 4.950 4.220 3.869 4.632 . 0 0 "[ . 1 . 2]" 1
589 1 39 ARG HA 1 39 ARG HD2 . . 4.670 3.184 2.303 4.417 . 0 0 "[ . 1 . 2]" 1
590 1 39 ARG HA 1 39 ARG QD . . 4.050 2.740 2.146 3.709 . 0 0 "[ . 1 . 2]" 1
591 1 39 ARG HA 1 39 ARG HD3 . . 4.670 3.166 2.459 4.616 . 0 0 "[ . 1 . 2]" 1
592 1 39 ARG HA 1 39 ARG QG . . 3.890 2.643 2.221 3.006 . 0 0 "[ . 1 . 2]" 1
593 1 39 ARG HA 1 40 TRP H . . 2.950 2.175 2.147 2.246 . 0 0 "[ . 1 . 2]" 1
594 1 39 ARG HA 1 40 TRP HE3 . . 4.250 2.966 2.584 3.481 . 0 0 "[ . 1 . 2]" 1
595 1 39 ARG QB 1 39 ARG QD . . 3.160 2.163 2.044 2.279 . 0 0 "[ . 1 . 2]" 1
596 1 39 ARG QB 1 40 TRP H . . 3.760 3.645 2.906 3.772 0.012 3 0 "[ . 1 . 2]" 1
597 1 39 ARG HB2 1 40 TRP H . . 4.350 4.181 3.849 4.365 0.015 17 0 "[ . 1 . 2]" 1
598 1 39 ARG HB3 1 40 TRP H . . 4.350 4.047 2.964 4.241 . 0 0 "[ . 1 . 2]" 1
599 1 39 ARG QD 1 40 TRP H . . 3.900 2.654 2.019 3.496 . 0 0 "[ . 1 . 2]" 1
600 1 39 ARG QD 1 40 TRP HA . . 5.010 4.022 2.679 4.967 . 0 0 "[ . 1 . 2]" 1
601 1 39 ARG HD2 1 40 TRP H . . 4.770 3.249 2.030 4.606 . 0 0 "[ . 1 . 2]" 1
602 1 39 ARG HD3 1 40 TRP H . . 4.770 3.521 2.574 4.222 . 0 0 "[ . 1 . 2]" 1
603 1 39 ARG QG 1 40 TRP H . . 3.960 2.773 2.319 3.997 0.037 4 0 "[ . 1 . 2]" 1
604 1 40 TRP H 1 40 TRP HB3 . . 4.000 3.297 3.218 3.395 . 0 0 "[ . 1 . 2]" 1
605 1 40 TRP H 1 40 TRP HE3 . . 3.820 2.932 2.539 3.211 . 0 0 "[ . 1 . 2]" 1
606 1 40 TRP H 1 40 TRP HZ3 . . 4.870 4.579 4.187 4.859 . 0 0 "[ . 1 . 2]" 1
607 1 40 TRP HA 1 41 MET H . . 3.220 2.590 2.506 2.654 . 0 0 "[ . 1 . 2]" 1
608 1 40 TRP HA 1 41 MET QG . . 4.830 4.051 3.854 4.185 . 0 0 "[ . 1 . 2]" 1
609 1 40 TRP HA 1 96 ILE MD . . 4.450 4.314 3.984 4.455 0.005 1 0 "[ . 1 . 2]" 1
610 1 40 TRP HB2 1 41 MET H . . 3.480 2.088 1.958 2.255 . 0 0 "[ . 1 . 2]" 1
611 1 40 TRP HB2 1 55 TYR QE . . 5.490 5.016 4.758 5.207 . 0 0 "[ . 1 . 2]" 1
612 1 40 TRP HB2 1 96 ILE MD . . 4.310 3.382 3.145 3.625 . 0 0 "[ . 1 . 2]" 1
613 1 40 TRP HB2 1 96 ILE MG . . 5.180 3.883 3.509 4.105 . 0 0 "[ . 1 . 2]" 1
614 1 40 TRP HB3 1 41 MET H . . 3.700 3.576 3.477 3.699 . 0 0 "[ . 1 . 2]" 1
615 1 40 TRP HB3 1 96 ILE MD . . 4.020 2.261 1.957 2.525 . 0 0 "[ . 1 . 2]" 1
616 1 40 TRP HD1 1 41 MET H . . 4.250 3.167 2.881 3.425 . 0 0 "[ . 1 . 2]" 1
617 1 40 TRP HD1 1 55 TYR QE . . 4.410 3.043 2.650 3.463 . 0 0 "[ . 1 . 2]" 1
618 1 40 TRP HE1 1 55 TYR QB . . 4.530 3.654 3.209 4.045 . 0 0 "[ . 1 . 2]" 1
619 1 40 TRP HE1 1 55 TYR QD . . 4.100 3.020 2.755 3.364 . 0 0 "[ . 1 . 2]" 1
620 1 40 TRP HE1 1 55 TYR QE . . 3.660 2.784 2.352 3.013 . 0 0 "[ . 1 . 2]" 1
621 1 40 TRP HE1 1 79 SER HA . . 4.220 3.675 2.538 4.208 . 0 0 "[ . 1 . 2]" 1
622 1 40 TRP HE1 1 96 ILE MG . . 4.570 3.963 3.209 4.431 . 0 0 "[ . 1 . 2]" 1
623 1 40 TRP HE3 1 57 ILE MD . . 4.810 4.271 3.755 4.767 . 0 0 "[ . 1 . 2]" 1
624 1 40 TRP HE3 1 81 ALA MB . . 4.580 4.297 4.072 4.561 . 0 0 "[ . 1 . 2]" 1
625 1 40 TRP HE3 1 96 ILE MD . . 3.680 2.312 1.878 2.622 . 0 0 "[ . 1 . 2]" 1
626 1 40 TRP HH2 1 57 ILE MD . . 3.700 2.623 2.125 3.096 . 0 0 "[ . 1 . 2]" 1
627 1 40 TRP HH2 1 74 VAL HB . . 5.500 4.035 3.619 4.428 . 0 0 "[ . 1 . 2]" 1
628 1 40 TRP HH2 1 74 VAL MG1 . . 3.680 3.015 2.505 3.621 . 0 0 "[ . 1 . 2]" 1
629 1 40 TRP HH2 1 74 VAL MG2 . . 3.430 3.157 2.802 3.411 . 0 0 "[ . 1 . 2]" 1
630 1 40 TRP HH2 1 81 ALA MB . . 3.290 2.121 1.960 2.302 . 0 0 "[ . 1 . 2]" 1
631 1 40 TRP HZ2 1 55 TYR QD . . 3.920 3.232 2.949 3.666 . 0 0 "[ . 1 . 2]" 1
632 1 40 TRP HZ2 1 57 ILE MD . . 4.870 3.867 3.510 4.199 . 0 0 "[ . 1 . 2]" 1
633 1 40 TRP HZ2 1 74 VAL HB . . 4.470 3.573 3.063 3.914 . 0 0 "[ . 1 . 2]" 1
634 1 40 TRP HZ2 1 74 VAL MG1 . . 4.360 3.919 3.401 4.328 . 0 0 "[ . 1 . 2]" 1
635 1 40 TRP HZ2 1 74 VAL MG2 . . 4.110 3.185 2.768 3.534 . 0 0 "[ . 1 . 2]" 1
636 1 40 TRP HZ2 1 79 SER HA . . 4.340 3.337 2.421 4.153 . 0 0 "[ . 1 . 2]" 1
637 1 40 TRP HZ2 1 81 ALA MB . . 4.530 4.208 3.993 4.392 . 0 0 "[ . 1 . 2]" 1
638 1 40 TRP HZ2 1 96 ILE MG . . 4.760 4.326 3.774 4.762 0.002 2 0 "[ . 1 . 2]" 1
639 1 40 TRP HZ3 1 57 ILE MD . . 4.470 2.889 2.083 3.412 . 0 0 "[ . 1 . 2]" 1
640 1 40 TRP HZ3 1 81 ALA H . . 3.910 2.625 2.036 3.252 . 0 0 "[ . 1 . 2]" 1
641 1 40 TRP HZ3 1 81 ALA MB . . 3.470 2.135 1.975 2.380 . 0 0 "[ . 1 . 2]" 1
642 1 40 TRP HZ3 1 96 ILE MD . . 4.370 3.073 2.751 3.491 . 0 0 "[ . 1 . 2]" 1
643 1 41 MET H 1 41 MET HB2 . . 3.620 2.489 2.334 2.574 . 0 0 "[ . 1 . 2]" 1
644 1 41 MET H 1 41 MET HB3 . . 3.810 3.613 3.525 3.669 . 0 0 "[ . 1 . 2]" 1
645 1 41 MET H 1 41 MET QG . . 4.150 3.446 3.283 3.553 . 0 0 "[ . 1 . 2]" 1
646 1 41 MET H 1 96 ILE MD . . 5.500 5.181 4.951 5.361 . 0 0 "[ . 1 . 2]" 1
647 1 41 MET HB2 1 42 LYS H . . 4.530 3.894 3.838 3.989 . 0 0 "[ . 1 . 2]" 1
648 1 41 MET HB3 1 42 LYS H . . 3.840 2.525 2.456 2.663 . 0 0 "[ . 1 . 2]" 1
649 1 41 MET ME 1 42 LYS H . . 4.690 3.945 3.074 4.654 . 0 0 "[ . 1 . 2]" 1
650 1 41 MET QG 1 42 LYS H . . 4.140 3.771 3.281 4.096 . 0 0 "[ . 1 . 2]" 1
651 1 42 LYS H 1 42 LYS HB2 . . 3.390 2.454 2.164 2.798 . 0 0 "[ . 1 . 2]" 1
652 1 42 LYS H 1 42 LYS QB . . 2.950 2.241 2.144 2.294 . 0 0 "[ . 1 . 2]" 1
653 1 42 LYS H 1 42 LYS HB3 . . 3.390 2.762 2.379 3.468 0.078 11 0 "[ . 1 . 2]" 1
654 1 42 LYS H 1 42 LYS HG2 . . 4.630 4.389 3.834 4.612 . 0 0 "[ . 1 . 2]" 1
655 1 42 LYS H 1 42 LYS QG . . 4.010 3.882 3.028 3.991 . 0 0 "[ . 1 . 2]" 1
656 1 42 LYS H 1 42 LYS HG3 . . 4.630 4.352 3.172 4.605 . 0 0 "[ . 1 . 2]" 1
657 1 42 LYS HA 1 43 PRO HD2 . . 3.600 2.131 1.987 2.234 . 0 0 "[ . 1 . 2]" 1
658 1 42 LYS HA 1 43 PRO HD3 . . 3.680 2.261 2.254 2.316 . 0 0 "[ . 1 . 2]" 1
659 1 42 LYS HA 1 52 LEU QD . . 5.430 3.719 3.302 4.837 . 0 0 "[ . 1 . 2]" 1
660 1 42 LYS HA 1 55 TYR QE . . 4.590 3.165 2.550 3.810 . 0 0 "[ . 1 . 2]" 1
661 1 42 LYS QB 1 42 LYS QD . . 3.190 2.142 2.009 2.292 . 0 0 "[ . 1 . 2]" 1
662 1 42 LYS QB 1 42 LYS QE . . 3.760 3.201 2.043 3.735 . 0 0 "[ . 1 . 2]" 1
663 1 42 LYS QB 1 43 PRO HD2 . . 4.050 3.362 2.835 3.536 . 0 0 "[ . 1 . 2]" 1
664 1 42 LYS QB 1 43 PRO HD3 . . 4.750 4.213 3.962 4.311 . 0 0 "[ . 1 . 2]" 1
665 1 42 LYS HB2 1 42 LYS QE . . 4.450 3.629 2.069 4.409 . 0 0 "[ . 1 . 2]" 1
666 1 42 LYS HB2 1 43 PRO HD2 . . 4.700 3.889 3.436 4.464 . 0 0 "[ . 1 . 2]" 1
667 1 42 LYS HB3 1 42 LYS QE . . 4.450 3.712 2.708 4.263 . 0 0 "[ . 1 . 2]" 1
668 1 42 LYS HB3 1 43 PRO HD2 . . 4.700 3.776 2.885 4.102 . 0 0 "[ . 1 . 2]" 1
669 1 42 LYS QE 1 42 LYS HG2 . . 3.920 2.687 2.159 3.402 . 0 0 "[ . 1 . 2]" 1
670 1 42 LYS QE 1 42 LYS HG3 . . 3.920 2.502 2.080 3.401 . 0 0 "[ . 1 . 2]" 1
671 1 42 LYS QE 1 52 LEU MD1 . . 4.550 3.706 1.989 4.550 . 0 0 "[ . 1 . 2]" 1
672 1 42 LYS QE 1 52 LEU QD . . 3.840 3.118 1.966 3.723 . 0 0 "[ . 1 . 2]" 1
673 1 42 LYS QE 1 52 LEU MD2 . . 4.550 3.527 2.506 4.472 . 0 0 "[ . 1 . 2]" 1
674 1 42 LYS QG 1 43 PRO HD2 . . 3.900 2.082 1.824 2.945 . 0 0 "[ . 1 . 2]" 1
675 1 42 LYS QG 1 43 PRO HD3 . . 5.340 3.409 3.204 4.025 . 0 0 "[ . 1 . 2]" 1
676 1 42 LYS HG2 1 43 PRO HD2 . . 4.440 2.426 1.991 4.292 . 0 0 "[ . 1 . 2]" 1
677 1 42 LYS HG3 1 43 PRO HD2 . . 4.440 2.593 2.000 4.294 . 0 0 "[ . 1 . 2]" 1
678 1 43 PRO HB2 1 44 PRO HD2 . . 3.770 2.246 1.991 2.621 . 0 0 "[ . 1 . 2]" 1
679 1 43 PRO HB2 1 44 PRO HD3 . . 4.350 3.655 3.443 3.957 . 0 0 "[ . 1 . 2]" 1
680 1 43 PRO HB2 1 45 THR H . . 4.810 2.267 2.220 2.323 . 0 0 "[ . 1 . 2]" 1
681 1 43 PRO HB2 1 45 THR MG . . 3.710 2.451 1.996 3.245 . 0 0 "[ . 1 . 2]" 1
682 1 43 PRO HB2 1 52 LEU QD . . 5.440 5.005 4.314 5.366 . 0 0 "[ . 1 . 2]" 1
683 1 43 PRO HB3 1 44 PRO HD2 . . 3.730 2.810 2.684 3.013 . 0 0 "[ . 1 . 2]" 1
684 1 43 PRO HB3 1 44 PRO HD3 . . 4.390 3.869 3.724 4.084 . 0 0 "[ . 1 . 2]" 1
685 1 43 PRO HB3 1 45 THR H . . 4.920 3.954 3.909 3.995 . 0 0 "[ . 1 . 2]" 1
686 1 43 PRO HB3 1 45 THR MG . . 5.090 3.732 3.360 4.505 . 0 0 "[ . 1 . 2]" 1
687 1 43 PRO HD2 1 52 LEU QD . . 3.970 2.725 2.408 3.726 . 0 0 "[ . 1 . 2]" 1
688 1 43 PRO HD2 1 55 TYR QE . . 4.340 3.314 2.895 3.744 . 0 0 "[ . 1 . 2]" 1
689 1 43 PRO HD3 1 52 LEU MD1 . . 5.490 3.805 2.912 5.490 0.000 3 0 "[ . 1 . 2]" 1
690 1 43 PRO HD3 1 52 LEU QD . . 4.200 3.443 2.888 4.128 . 0 0 "[ . 1 . 2]" 1
691 1 43 PRO HD3 1 52 LEU MD2 . . 5.490 4.943 3.511 5.494 0.004 11 0 "[ . 1 . 2]" 1
692 1 43 PRO HD3 1 55 TYR QE . . 4.110 2.515 2.064 2.925 . 0 0 "[ . 1 . 2]" 1
693 1 43 PRO HD3 1 98 ALA MB . . 4.260 3.256 2.818 3.779 . 0 0 "[ . 1 . 2]" 1
694 1 43 PRO QG 1 45 THR H . . 4.940 2.966 2.815 3.198 . 0 0 "[ . 1 . 2]" 1
695 1 43 PRO QG 1 45 THR MG . . 3.630 2.415 1.770 3.251 . 0 0 "[ . 1 . 2]" 1
696 1 43 PRO QG 1 52 LEU QD . . 3.620 2.866 2.345 3.235 . 0 0 "[ . 1 . 2]" 1
697 1 43 PRO QG 1 55 TYR QE . . 4.250 3.681 2.738 4.047 . 0 0 "[ . 1 . 2]" 1
698 1 43 PRO QG 1 98 ALA MB . . 3.110 2.097 1.915 2.472 . 0 0 "[ . 1 . 2]" 1
699 1 43 PRO HG2 1 55 TYR QE . . 4.970 4.786 4.019 4.976 0.006 16 0 "[ . 1 . 2]" 1
700 1 43 PRO HG2 1 98 ALA MB . . 3.950 3.279 2.960 3.711 . 0 0 "[ . 1 . 2]" 1
701 1 43 PRO HG3 1 55 TYR QE . . 4.970 3.833 2.787 4.287 . 0 0 "[ . 1 . 2]" 1
702 1 43 PRO HG3 1 98 ALA MB . . 3.950 2.122 1.939 2.511 . 0 0 "[ . 1 . 2]" 1
703 1 44 PRO HA 1 45 THR H . . 3.200 3.274 3.259 3.291 0.091 7 0 "[ . 1 . 2]" 1
704 1 44 PRO QG 1 45 THR H . . 5.500 3.339 3.289 3.377 . 0 0 "[ . 1 . 2]" 1
705 1 45 THR H 1 45 THR MG . . 3.720 2.271 1.875 2.656 . 0 0 "[ . 1 . 2]" 1
706 1 45 THR HA 1 45 THR MG . . 3.450 2.444 2.030 3.198 . 0 0 "[ . 1 . 2]" 1
707 1 45 THR HA 1 46 LYS H . . 3.220 2.365 2.143 3.237 0.017 15 0 "[ . 1 . 2]" 1
708 1 45 THR HB 1 46 LYS H . . 4.410 4.019 3.055 4.429 0.019 7 0 "[ . 1 . 2]" 1
709 1 45 THR HB 1 49 ASP HB2 . . 4.540 3.425 2.090 4.390 . 0 0 "[ . 1 . 2]" 1
710 1 45 THR HB 1 49 ASP QB . . 3.860 2.889 1.986 3.847 . 0 0 "[ . 1 . 2]" 1
711 1 45 THR HB 1 49 ASP HB3 . . 4.540 3.526 1.999 4.557 0.017 5 0 "[ . 1 . 2]" 1
712 1 45 THR MG 1 46 LYS H . . 4.460 4.091 2.841 4.370 . 0 0 "[ . 1 . 2]" 1
713 1 45 THR MG 1 49 ASP HB2 . . 4.770 3.586 2.385 4.764 . 0 0 "[ . 1 . 2]" 1
714 1 45 THR MG 1 49 ASP QB . . 4.070 3.177 2.109 3.977 . 0 0 "[ . 1 . 2]" 1
715 1 45 THR MG 1 49 ASP HB3 . . 4.770 3.736 2.349 4.738 . 0 0 "[ . 1 . 2]" 1
716 1 46 LYS H 1 46 LYS HB2 . . 4.110 3.075 2.202 3.855 . 0 0 "[ . 1 . 2]" 1
717 1 46 LYS H 1 46 LYS QB . . 3.460 2.573 2.139 3.122 . 0 0 "[ . 1 . 2]" 1
718 1 46 LYS H 1 46 LYS HB3 . . 4.110 2.894 2.387 3.643 . 0 0 "[ . 1 . 2]" 1
719 1 46 LYS H 1 46 LYS QG . . 4.190 3.509 2.020 4.206 0.016 5 0 "[ . 1 . 2]" 1
720 1 46 LYS HA 1 46 LYS QD . . 4.380 3.688 2.103 4.329 . 0 0 "[ . 1 . 2]" 1
721 1 46 LYS HA 1 46 LYS QG . . 3.760 2.685 2.169 3.460 . 0 0 "[ . 1 . 2]" 1
722 1 46 LYS HA 1 47 GLN QG . . 5.500 4.656 3.898 5.351 . 0 0 "[ . 1 . 2]" 1
723 1 46 LYS QB 1 47 GLN QG . . 4.570 3.600 2.547 4.556 . 0 0 "[ . 1 . 2]" 1
724 1 46 LYS QD 1 47 GLN QB . . 5.060 4.341 3.121 5.071 0.011 8 0 "[ . 1 . 2]" 1
725 1 46 LYS QG 1 47 GLN QG . . 4.640 3.221 2.012 4.648 0.008 15 0 "[ . 1 . 2]" 1
726 1 47 GLN HA 1 47 GLN QG . . 3.550 2.729 2.144 3.396 . 0 0 "[ . 1 . 2]" 1
727 1 47 GLN QB 1 48 GLN H . . 4.400 3.135 1.943 4.036 . 0 0 "[ . 1 . 2]" 1
728 1 47 GLN QG 1 48 GLN H . . 4.900 3.611 1.940 4.486 . 0 0 "[ . 1 . 2]" 1
729 1 48 GLN HA 1 48 GLN QG . . 3.430 2.672 2.178 3.339 . 0 0 "[ . 1 . 2]" 1
730 1 48 GLN HA 1 50 GLY H . . 5.500 4.800 3.709 5.508 0.008 5 0 "[ . 1 . 2]" 1
731 1 48 GLN QB 1 49 ASP H . . 4.140 2.948 1.932 4.037 . 0 0 "[ . 1 . 2]" 1
732 1 48 GLN HB2 1 49 ASP H . . 4.780 3.803 2.483 4.601 . 0 0 "[ . 1 . 2]" 1
733 1 48 GLN HB3 1 49 ASP H . . 4.780 3.198 1.946 4.643 . 0 0 "[ . 1 . 2]" 1
734 1 48 GLN QG 1 49 ASP H . . 4.500 3.572 1.823 4.498 . 0 0 "[ . 1 . 2]" 1
735 1 48 GLN QG 1 49 ASP HA . . 5.500 4.140 3.161 5.504 0.004 14 0 "[ . 1 . 2]" 1
736 1 49 ASP H 1 49 ASP HB2 . . 3.990 2.729 2.210 3.581 . 0 0 "[ . 1 . 2]" 1
737 1 49 ASP H 1 49 ASP QB . . 3.270 2.445 2.142 2.770 . 0 0 "[ . 1 . 2]" 1
738 1 49 ASP H 1 49 ASP HB3 . . 3.990 3.166 2.195 3.651 . 0 0 "[ . 1 . 2]" 1
739 1 49 ASP QB 1 100 THR MG . . 4.040 3.387 2.040 4.047 0.007 11 0 "[ . 1 . 2]" 1
740 1 49 ASP HB2 1 50 GLY H . . 4.310 3.211 2.284 4.134 . 0 0 "[ . 1 . 2]" 1
741 1 49 ASP HB3 1 50 GLY H . . 4.310 3.125 2.315 4.021 . 0 0 "[ . 1 . 2]" 1
742 1 50 GLY H 1 51 GLU H . . 4.240 4.007 3.559 4.261 0.021 18 0 "[ . 1 . 2]" 1
743 1 50 GLY H 1 51 GLU HA . . 5.500 4.738 4.397 5.515 0.015 5 0 "[ . 1 . 2]" 1
744 1 50 GLY QA 1 51 GLU H . . 2.970 2.176 2.110 2.343 . 0 0 "[ . 1 . 2]" 1
745 1 50 GLY QA 1 51 GLU HB3 . . 4.380 4.022 3.793 4.300 . 0 0 "[ . 1 . 2]" 1
746 1 50 GLY QA 1 51 GLU HG2 . . 4.650 3.835 3.572 4.154 . 0 0 "[ . 1 . 2]" 1
747 1 50 GLY QA 1 100 THR MG . . 5.060 4.309 3.272 5.040 . 0 0 "[ . 1 . 2]" 1
748 1 51 GLU H 1 51 GLU HB3 . . 3.280 3.100 2.407 3.282 0.002 17 0 "[ . 1 . 2]" 1
749 1 51 GLU H 1 51 GLU HG2 . . 4.110 2.474 2.063 2.796 . 0 0 "[ . 1 . 2]" 1
750 1 51 GLU H 1 51 GLU HG3 . . 4.240 3.319 2.783 3.800 . 0 0 "[ . 1 . 2]" 1
751 1 51 GLU H 1 52 LEU H . . 4.420 4.329 4.144 4.517 0.097 18 0 "[ . 1 . 2]" 1
752 1 51 GLU H 1 53 VAL MG1 . . 5.500 4.914 4.236 5.449 . 0 0 "[ . 1 . 2]" 1
753 1 51 GLU H 1 100 THR MG . . 4.630 3.942 3.141 4.633 0.003 9 0 "[ . 1 . 2]" 1
754 1 51 GLU HA 1 51 GLU HG2 . . 4.030 3.771 3.651 3.879 . 0 0 "[ . 1 . 2]" 1
755 1 51 GLU HA 1 51 GLU HG3 . . 3.960 3.717 3.627 3.847 . 0 0 "[ . 1 . 2]" 1
756 1 51 GLU HA 1 52 LEU H . . 2.830 2.194 2.140 2.449 . 0 0 "[ . 1 . 2]" 1
757 1 51 GLU HA 1 52 LEU HB2 . . 5.010 4.610 4.259 4.923 . 0 0 "[ . 1 . 2]" 1
758 1 51 GLU HA 1 52 LEU QB . . 4.250 4.041 3.988 4.078 . 0 0 "[ . 1 . 2]" 1
759 1 51 GLU HA 1 52 LEU HB3 . . 5.010 4.546 4.246 5.020 0.010 5 0 "[ . 1 . 2]" 1
760 1 51 GLU HA 1 52 LEU QD . . 5.440 5.027 4.750 5.221 . 0 0 "[ . 1 . 2]" 1
761 1 51 GLU HA 1 53 VAL MG1 . . 5.500 5.404 5.135 5.509 0.009 15 0 "[ . 1 . 2]" 1
762 1 51 GLU HB3 1 52 LEU H . . 4.290 4.172 3.816 4.324 0.034 9 0 "[ . 1 . 2]" 1
763 1 51 GLU HG2 1 53 VAL MG1 . . 4.760 4.083 3.389 4.504 . 0 0 "[ . 1 . 2]" 1
764 1 51 GLU HG3 1 52 LEU H . . 4.310 4.105 3.308 4.328 0.018 18 0 "[ . 1 . 2]" 1
765 1 51 GLU HG3 1 53 VAL MG1 . . 3.960 2.920 2.633 3.227 . 0 0 "[ . 1 . 2]" 1
766 1 52 LEU H 1 52 LEU HB2 . . 3.450 2.709 2.188 3.160 . 0 0 "[ . 1 . 2]" 1
767 1 52 LEU H 1 52 LEU QB . . 2.930 2.193 2.124 2.268 . 0 0 "[ . 1 . 2]" 1
768 1 52 LEU H 1 52 LEU HB3 . . 3.450 2.411 2.201 2.874 . 0 0 "[ . 1 . 2]" 1
769 1 52 LEU H 1 52 LEU MD1 . . 4.440 4.250 3.925 4.443 0.003 1 0 "[ . 1 . 2]" 1
770 1 52 LEU H 1 52 LEU QD . . 3.880 3.495 3.250 3.662 . 0 0 "[ . 1 . 2]" 1
771 1 52 LEU H 1 52 LEU MD2 . . 4.440 3.768 3.344 4.314 . 0 0 "[ . 1 . 2]" 1
772 1 52 LEU H 1 100 THR MG . . 4.740 4.163 3.229 4.741 0.001 13 0 "[ . 1 . 2]" 1
773 1 52 LEU HA 1 52 LEU MD1 . . 3.830 3.288 2.352 3.666 . 0 0 "[ . 1 . 2]" 1
774 1 52 LEU HA 1 52 LEU QD . . 3.340 2.862 1.927 3.264 . 0 0 "[ . 1 . 2]" 1
775 1 52 LEU HA 1 52 LEU MD2 . . 3.830 3.328 1.945 3.897 0.067 14 0 "[ . 1 . 2]" 1
776 1 52 LEU HA 1 53 VAL H . . 3.330 2.183 2.151 2.246 . 0 0 "[ . 1 . 2]" 1
777 1 52 LEU HA 1 53 VAL MG1 . . 4.320 3.690 3.314 4.005 . 0 0 "[ . 1 . 2]" 1
778 1 52 LEU HA 1 53 VAL MG2 . . 4.020 3.729 3.323 4.020 . 0 0 "[ . 1 . 2]" 1
779 1 52 LEU HA 1 54 GLY H . . 4.040 3.723 3.504 4.012 . 0 0 "[ . 1 . 2]" 1
780 1 52 LEU HA 1 98 ALA MB . . 5.280 4.766 4.150 5.251 . 0 0 "[ . 1 . 2]" 1
781 1 52 LEU HA 1 100 THR HA . . 3.790 2.906 2.088 3.621 . 0 0 "[ . 1 . 2]" 1
782 1 52 LEU HA 1 100 THR MG . . 3.140 2.428 1.980 3.028 . 0 0 "[ . 1 . 2]" 1
783 1 52 LEU QB 1 53 VAL H . . 4.150 3.631 3.457 3.727 . 0 0 "[ . 1 . 2]" 1
784 1 52 LEU QB 1 54 GLY H . . 4.780 4.207 3.962 4.518 . 0 0 "[ . 1 . 2]" 1
785 1 52 LEU QB 1 76 GLN QB . . 5.180 3.873 2.498 4.739 . 0 0 "[ . 1 . 2]" 1
786 1 52 LEU HB2 1 53 VAL H . . 4.790 4.051 3.695 4.389 . 0 0 "[ . 1 . 2]" 1
787 1 52 LEU HB3 1 53 VAL H . . 4.790 4.144 3.782 4.328 . 0 0 "[ . 1 . 2]" 1
788 1 52 LEU QD 1 53 VAL HA . . 4.540 3.423 2.986 4.542 0.002 8 0 "[ . 1 . 2]" 1
789 1 52 LEU QD 1 54 GLY H . . 3.660 2.529 1.687 3.326 . 0 0 "[ . 1 . 2]" 1
790 1 52 LEU QD 1 54 GLY QA . . 4.090 2.736 2.262 3.404 . 0 0 "[ . 1 . 2]" 1
791 1 52 LEU QD 1 76 GLN HA . . 4.000 2.338 1.859 3.018 . 0 0 "[ . 1 . 2]" 1
792 1 52 LEU QD 1 76 GLN QB . . 3.370 2.074 1.832 2.376 . 0 0 "[ . 1 . 2]" 1
793 1 52 LEU QD 1 76 GLN QG . . 4.040 3.793 3.477 4.034 . 0 0 "[ . 1 . 2]" 1
794 1 52 LEU QD 1 98 ALA HA . . 4.250 2.929 2.464 3.424 . 0 0 "[ . 1 . 2]" 1
795 1 52 LEU QD 1 98 ALA MB . . 3.280 2.332 1.874 2.816 . 0 0 "[ . 1 . 2]" 1
796 1 52 LEU QD 1 99 VAL H . . 4.080 2.888 2.193 3.314 . 0 0 "[ . 1 . 2]" 1
797 1 52 LEU QD 1 100 THR HA . . 5.440 4.328 3.375 4.887 . 0 0 "[ . 1 . 2]" 1
798 1 52 LEU MD1 1 53 VAL H . . 4.320 3.620 1.922 4.300 . 0 0 "[ . 1 . 2]" 1
799 1 52 LEU MD1 1 54 GLY H . . 4.310 3.189 1.752 3.844 . 0 0 "[ . 1 . 2]" 1
800 1 52 LEU MD1 1 55 TYR QE . . 3.970 2.697 2.190 3.350 . 0 0 "[ . 1 . 2]" 1
801 1 52 LEU MD1 1 99 VAL H . . 5.150 3.121 2.367 4.425 . 0 0 "[ . 1 . 2]" 1
802 1 52 LEU MD2 1 53 VAL H . . 4.320 3.323 1.885 4.051 . 0 0 "[ . 1 . 2]" 1
803 1 52 LEU MD2 1 54 GLY H . . 4.310 2.883 1.882 3.785 . 0 0 "[ . 1 . 2]" 1
804 1 52 LEU MD2 1 55 TYR QE . . 3.970 2.799 2.229 3.481 . 0 0 "[ . 1 . 2]" 1
805 1 52 LEU MD2 1 99 VAL H . . 5.150 4.252 2.207 5.086 . 0 0 "[ . 1 . 2]" 1
806 1 52 LEU HG 1 53 VAL H . . 4.570 2.904 2.219 4.552 . 0 0 "[ . 1 . 2]" 1
807 1 52 LEU HG 1 54 GLY H . . 4.470 2.592 1.898 4.469 . 0 0 "[ . 1 . 2]" 1
808 1 52 LEU HG 1 55 TYR QE . . 4.990 4.236 3.079 4.897 . 0 0 "[ . 1 . 2]" 1
809 1 52 LEU HG 1 76 GLN HA . . 4.360 4.278 3.866 4.361 0.001 7 0 "[ . 1 . 2]" 1
810 1 52 LEU HG 1 76 GLN QB . . 5.340 3.844 3.166 4.704 . 0 0 "[ . 1 . 2]" 1
811 1 52 LEU HG 1 98 ALA MB . . 4.370 4.164 3.774 4.373 0.003 15 0 "[ . 1 . 2]" 1
812 1 53 VAL H 1 53 VAL MG1 . . 3.630 2.752 2.401 3.178 . 0 0 "[ . 1 . 2]" 1
813 1 53 VAL H 1 53 VAL MG2 . . 3.480 2.022 1.864 2.253 . 0 0 "[ . 1 . 2]" 1
814 1 53 VAL H 1 54 GLY H . . 3.220 2.025 1.859 2.154 . 0 0 "[ . 1 . 2]" 1
815 1 53 VAL H 1 54 GLY QA . . 5.000 4.146 4.021 4.241 . 0 0 "[ . 1 . 2]" 1
816 1 53 VAL H 1 99 VAL H . . 4.950 4.465 4.144 4.768 . 0 0 "[ . 1 . 2]" 1
817 1 53 VAL H 1 99 VAL HB . . 5.500 4.658 3.777 5.501 0.001 6 0 "[ . 1 . 2]" 1
818 1 53 VAL H 1 99 VAL QG . . 4.340 3.627 3.133 4.165 . 0 0 "[ . 1 . 2]" 1
819 1 53 VAL H 1 100 THR HA . . 3.810 2.521 2.228 2.951 . 0 0 "[ . 1 . 2]" 1
820 1 53 VAL H 1 100 THR HB . . 4.830 4.657 4.325 4.833 0.003 13 0 "[ . 1 . 2]" 1
821 1 53 VAL H 1 100 THR MG . . 4.090 3.491 3.169 3.911 . 0 0 "[ . 1 . 2]" 1
822 1 53 VAL HA 1 53 VAL MG1 . . 3.180 2.334 2.096 2.508 . 0 0 "[ . 1 . 2]" 1
823 1 53 VAL HA 1 53 VAL MG2 . . 3.570 3.192 3.171 3.203 . 0 0 "[ . 1 . 2]" 1
824 1 53 VAL HA 1 76 GLN HB2 . . 4.660 4.085 3.654 4.493 . 0 0 "[ . 1 . 2]" 1
825 1 53 VAL HA 1 76 GLN QB . . 4.000 2.621 2.162 3.038 . 0 0 "[ . 1 . 2]" 1
826 1 53 VAL HA 1 76 GLN HB3 . . 4.660 2.654 2.178 3.089 . 0 0 "[ . 1 . 2]" 1
827 1 53 VAL HA 1 76 GLN QE . . 4.680 3.899 2.436 4.571 . 0 0 "[ . 1 . 2]" 1
828 1 53 VAL HA 1 76 GLN QG . . 4.490 3.477 2.291 4.348 . 0 0 "[ . 1 . 2]" 1
829 1 53 VAL HB 1 54 GLY H . . 4.320 3.990 3.761 4.277 . 0 0 "[ . 1 . 2]" 1
830 1 53 VAL HB 1 99 VAL QG . . 4.320 4.222 3.879 4.327 0.007 17 0 "[ . 1 . 2]" 1
831 1 53 VAL HB 1 100 THR HA . . 5.350 4.834 4.303 5.193 . 0 0 "[ . 1 . 2]" 1
832 1 53 VAL MG1 1 54 GLY H . . 4.650 4.037 3.770 4.218 . 0 0 "[ . 1 . 2]" 1
833 1 53 VAL MG1 1 100 THR HA . . 3.930 2.888 2.072 3.425 . 0 0 "[ . 1 . 2]" 1
834 1 53 VAL MG1 1 101 ARG H . . 4.490 2.886 2.244 3.558 . 0 0 "[ . 1 . 2]" 1
835 1 53 VAL MG1 1 101 ARG HA . . 4.470 3.217 2.550 4.026 . 0 0 "[ . 1 . 2]" 1
836 1 53 VAL MG1 1 101 ARG QB . . 4.400 3.238 2.416 3.699 . 0 0 "[ . 1 . 2]" 1
837 1 53 VAL MG1 1 101 ARG QD . . 4.270 3.232 2.571 3.894 . 0 0 "[ . 1 . 2]" 1
838 1 53 VAL MG1 1 101 ARG QG . . 4.530 1.919 1.741 2.713 . 0 0 "[ . 1 . 2]" 1
839 1 53 VAL MG2 1 54 GLY H . . 3.800 2.322 1.882 2.811 . 0 0 "[ . 1 . 2]" 1
840 1 53 VAL MG2 1 54 GLY QA . . 4.620 3.178 2.780 3.453 . 0 0 "[ . 1 . 2]" 1
841 1 53 VAL MG2 1 99 VAL H . . 4.980 4.279 3.983 4.631 . 0 0 "[ . 1 . 2]" 1
842 1 53 VAL MG2 1 99 VAL HB . . 3.660 3.210 2.652 3.618 . 0 0 "[ . 1 . 2]" 1
843 1 53 VAL MG2 1 100 THR H . . 4.630 3.599 3.295 3.903 . 0 0 "[ . 1 . 2]" 1
844 1 53 VAL MG2 1 100 THR HA . . 3.530 2.239 1.929 2.555 . 0 0 "[ . 1 . 2]" 1
845 1 53 VAL MG2 1 100 THR HB . . 4.430 4.226 3.739 4.432 0.002 9 0 "[ . 1 . 2]" 1
846 1 53 VAL MG2 1 100 THR MG . . 4.680 3.841 3.579 4.092 . 0 0 "[ . 1 . 2]" 1
847 1 53 VAL MG2 1 101 ARG H . . 4.190 3.495 2.881 3.763 . 0 0 "[ . 1 . 2]" 1
848 1 53 VAL MG2 1 101 ARG HA . . 3.920 3.369 2.870 3.690 . 0 0 "[ . 1 . 2]" 1
849 1 53 VAL MG2 1 101 ARG QD . . 5.220 4.746 3.822 5.217 . 0 0 "[ . 1 . 2]" 1
850 1 53 VAL MG2 1 101 ARG HG2 . . 4.630 3.681 3.025 4.237 . 0 0 "[ . 1 . 2]" 1
851 1 53 VAL MG2 1 101 ARG QG . . 3.770 3.228 2.850 3.728 . 0 0 "[ . 1 . 2]" 1
852 1 53 VAL MG2 1 101 ARG HG3 . . 4.630 3.863 2.927 4.627 . 0 0 "[ . 1 . 2]" 1
853 1 54 GLY H 1 99 VAL H . . 4.310 3.556 3.199 3.761 . 0 0 "[ . 1 . 2]" 1
854 1 54 GLY H 1 99 VAL HB . . 4.930 3.728 2.880 4.933 0.003 16 0 "[ . 1 . 2]" 1
855 1 54 GLY H 1 99 VAL MG1 . . 4.890 3.988 3.210 4.895 0.005 14 0 "[ . 1 . 2]" 1
856 1 54 GLY H 1 99 VAL QG . . 3.720 3.144 2.236 3.719 . 0 0 "[ . 1 . 2]" 1
857 1 54 GLY H 1 99 VAL MG2 . . 4.890 3.981 2.240 4.882 . 0 0 "[ . 1 . 2]" 1
858 1 54 GLY H 1 100 THR HA . . 4.370 4.061 3.710 4.333 . 0 0 "[ . 1 . 2]" 1
859 1 54 GLY QA 1 55 TYR H . . 2.940 2.268 2.217 2.283 . 0 0 "[ . 1 . 2]" 1
860 1 54 GLY QA 1 55 TYR QD . . 4.010 2.952 2.524 3.525 . 0 0 "[ . 1 . 2]" 1
861 1 54 GLY QA 1 55 TYR QE . . 4.690 3.844 3.267 4.573 . 0 0 "[ . 1 . 2]" 1
862 1 54 GLY QA 1 74 VAL MG2 . . 4.810 4.235 3.832 4.486 . 0 0 "[ . 1 . 2]" 1
863 1 54 GLY QA 1 76 GLN H . . 4.380 2.712 2.332 3.240 . 0 0 "[ . 1 . 2]" 1
864 1 54 GLY QA 1 76 GLN HA . . 3.740 2.328 2.015 2.625 . 0 0 "[ . 1 . 2]" 1
865 1 54 GLY HA2 1 55 TYR H . . 3.390 2.664 2.542 2.854 . 0 0 "[ . 1 . 2]" 1
866 1 54 GLY HA2 1 76 GLN HA . . 4.380 2.343 2.025 2.648 . 0 0 "[ . 1 . 2]" 1
867 1 54 GLY HA3 1 55 TYR H . . 3.390 2.469 2.310 2.582 . 0 0 "[ . 1 . 2]" 1
868 1 54 GLY HA3 1 76 GLN HA . . 4.380 4.010 3.643 4.368 . 0 0 "[ . 1 . 2]" 1
869 1 55 TYR H 1 55 TYR QD . . 3.990 2.735 2.306 3.406 . 0 0 "[ . 1 . 2]" 1
870 1 55 TYR H 1 74 VAL HB . . 4.180 3.836 3.473 4.088 . 0 0 "[ . 1 . 2]" 1
871 1 55 TYR H 1 74 VAL MG1 . . 5.160 5.029 4.701 5.153 . 0 0 "[ . 1 . 2]" 1
872 1 55 TYR H 1 74 VAL MG2 . . 3.860 2.681 2.185 2.987 . 0 0 "[ . 1 . 2]" 1
873 1 55 TYR H 1 99 VAL QG . . 4.800 3.687 3.114 4.268 . 0 0 "[ . 1 . 2]" 1
874 1 55 TYR HA 1 55 TYR QD . . 4.110 3.055 2.747 3.214 . 0 0 "[ . 1 . 2]" 1
875 1 55 TYR HA 1 56 ARG H . . 3.160 2.433 2.202 2.558 . 0 0 "[ . 1 . 2]" 1
876 1 55 TYR HA 1 56 ARG QB . . 4.880 4.015 3.896 4.135 . 0 0 "[ . 1 . 2]" 1
877 1 55 TYR HA 1 74 VAL MG2 . . 4.670 4.081 3.824 4.257 . 0 0 "[ . 1 . 2]" 1
878 1 55 TYR HA 1 96 ILE MG . . 4.620 4.054 3.749 4.326 . 0 0 "[ . 1 . 2]" 1
879 1 55 TYR HA 1 98 ALA HA . . 3.780 2.818 2.506 3.061 . 0 0 "[ . 1 . 2]" 1
880 1 55 TYR HA 1 98 ALA MB . . 4.610 4.381 4.101 4.566 . 0 0 "[ . 1 . 2]" 1
881 1 55 TYR HA 1 99 VAL H . . 3.770 2.633 2.297 3.122 . 0 0 "[ . 1 . 2]" 1
882 1 55 TYR HA 1 99 VAL MG1 . . 4.690 4.189 2.897 4.699 0.009 7 0 "[ . 1 . 2]" 1
883 1 55 TYR HA 1 99 VAL QG . . 3.410 2.648 2.141 2.990 . 0 0 "[ . 1 . 2]" 1
884 1 55 TYR HA 1 99 VAL MG2 . . 4.690 2.714 2.144 3.086 . 0 0 "[ . 1 . 2]" 1
885 1 55 TYR QB 1 57 ILE HG13 . . 4.870 3.413 3.228 3.657 . 0 0 "[ . 1 . 2]" 1
886 1 55 TYR QB 1 74 VAL MG1 . . 5.340 4.370 3.965 4.802 . 0 0 "[ . 1 . 2]" 1
887 1 55 TYR QB 1 74 VAL MG2 . . 3.720 2.108 1.873 2.499 . 0 0 "[ . 1 . 2]" 1
888 1 55 TYR QB 1 99 VAL QG . . 4.840 4.047 3.730 4.335 . 0 0 "[ . 1 . 2]" 1
889 1 55 TYR HB2 1 56 ARG H . . 4.010 3.545 3.309 4.011 0.001 16 0 "[ . 1 . 2]" 1
890 1 55 TYR HB2 1 74 VAL MG2 . . 4.300 2.134 1.906 2.532 . 0 0 "[ . 1 . 2]" 1
891 1 55 TYR HB2 1 96 ILE MG . . 3.800 3.284 2.785 3.717 . 0 0 "[ . 1 . 2]" 1
892 1 55 TYR HB3 1 56 ARG H . . 4.010 2.394 2.118 3.012 . 0 0 "[ . 1 . 2]" 1
893 1 55 TYR HB3 1 74 VAL MG2 . . 4.300 3.302 2.760 3.848 . 0 0 "[ . 1 . 2]" 1
894 1 55 TYR HB3 1 96 ILE MG . . 3.800 2.279 1.965 2.550 . 0 0 "[ . 1 . 2]" 1
895 1 55 TYR QD 1 56 ARG H . . 4.250 3.787 3.301 4.103 . 0 0 "[ . 1 . 2]" 1
896 1 55 TYR QD 1 74 VAL HB . . 4.680 3.905 3.344 4.185 . 0 0 "[ . 1 . 2]" 1
897 1 55 TYR QD 1 74 VAL MG1 . . 5.330 5.082 4.638 5.326 . 0 0 "[ . 1 . 2]" 1
898 1 55 TYR QD 1 74 VAL MG2 . . 3.650 3.445 3.032 3.643 . 0 0 "[ . 1 . 2]" 1
899 1 55 TYR QD 1 76 GLN HA . . 4.450 3.336 2.892 3.726 . 0 0 "[ . 1 . 2]" 1
900 1 55 TYR QD 1 96 ILE MG . . 3.580 2.691 2.434 2.962 . 0 0 "[ . 1 . 2]" 1
901 1 55 TYR QD 1 98 ALA HA . . 3.990 2.738 2.291 3.187 . 0 0 "[ . 1 . 2]" 1
902 1 55 TYR QD 1 98 ALA MB . . 4.010 3.499 3.198 3.882 . 0 0 "[ . 1 . 2]" 1
903 1 55 TYR QD 1 99 VAL H . . 4.640 4.200 3.885 4.627 . 0 0 "[ . 1 . 2]" 1
904 1 55 TYR QE 1 74 VAL MG2 . . 5.470 5.270 4.912 5.465 . 0 0 "[ . 1 . 2]" 1
905 1 55 TYR QE 1 76 GLN HA . . 3.960 2.809 2.298 3.598 . 0 0 "[ . 1 . 2]" 1
906 1 55 TYR QE 1 96 ILE MG . . 4.670 4.201 3.883 4.521 . 0 0 "[ . 1 . 2]" 1
907 1 55 TYR QE 1 98 ALA HA . . 5.150 3.731 2.883 4.139 . 0 0 "[ . 1 . 2]" 1
908 1 55 TYR QE 1 98 ALA MB . . 3.590 3.232 2.256 3.571 . 0 0 "[ . 1 . 2]" 1
909 1 56 ARG H 1 56 ARG QB . . 3.430 2.504 2.311 2.626 . 0 0 "[ . 1 . 2]" 1
910 1 56 ARG H 1 56 ARG QG . . 4.590 3.783 3.337 4.220 . 0 0 "[ . 1 . 2]" 1
911 1 56 ARG H 1 57 ILE H . . 4.390 4.052 3.968 4.186 . 0 0 "[ . 1 . 2]" 1
912 1 56 ARG H 1 57 ILE HG13 . . 4.810 4.254 3.930 4.557 . 0 0 "[ . 1 . 2]" 1
913 1 56 ARG H 1 74 VAL MG2 . . 4.820 4.032 3.698 4.353 . 0 0 "[ . 1 . 2]" 1
914 1 56 ARG H 1 96 ILE MG . . 4.140 3.017 2.829 3.292 . 0 0 "[ . 1 . 2]" 1
915 1 56 ARG H 1 97 ALA H . . 3.830 2.374 2.166 2.646 . 0 0 "[ . 1 . 2]" 1
916 1 56 ARG H 1 97 ALA MB . . 4.090 3.376 3.111 3.588 . 0 0 "[ . 1 . 2]" 1
917 1 56 ARG H 1 98 ALA HA . . 4.130 4.068 3.908 4.132 0.002 13 0 "[ . 1 . 2]" 1
918 1 56 ARG H 1 99 VAL H . . 4.680 4.510 4.164 4.684 0.004 17 0 "[ . 1 . 2]" 1
919 1 56 ARG H 1 99 VAL QG . . 3.680 3.119 2.864 3.353 . 0 0 "[ . 1 . 2]" 1
920 1 56 ARG H 1 104 VAL QG . . 4.790 4.651 4.459 4.798 0.008 2 0 "[ . 1 . 2]" 1
921 1 56 ARG HA 1 56 ARG HD2 . . 4.900 4.006 2.551 4.538 . 0 0 "[ . 1 . 2]" 1
922 1 56 ARG HA 1 56 ARG QD . . 4.140 3.273 2.020 4.137 . 0 0 "[ . 1 . 2]" 1
923 1 56 ARG HA 1 56 ARG HD3 . . 4.900 3.670 2.036 4.817 . 0 0 "[ . 1 . 2]" 1
924 1 56 ARG HA 1 57 ILE H . . 3.040 2.163 2.149 2.170 . 0 0 "[ . 1 . 2]" 1
925 1 56 ARG HA 1 57 ILE HB . . 4.990 4.773 4.690 4.867 . 0 0 "[ . 1 . 2]" 1
926 1 56 ARG HA 1 57 ILE MD . . 5.160 4.997 4.802 5.156 . 0 0 "[ . 1 . 2]" 1
927 1 56 ARG HA 1 57 ILE HG13 . . 4.770 3.778 3.617 3.908 . 0 0 "[ . 1 . 2]" 1
928 1 56 ARG HA 1 71 LEU QD . . 4.030 3.881 3.580 4.033 0.003 12 0 "[ . 1 . 2]" 1
929 1 56 ARG HA 1 99 VAL QG . . 4.580 3.664 3.193 4.083 . 0 0 "[ . 1 . 2]" 1
930 1 56 ARG QB 1 56 ARG QD . . 2.930 2.230 2.103 2.469 . 0 0 "[ . 1 . 2]" 1
931 1 56 ARG QB 1 56 ARG HE . . 4.890 3.133 2.058 4.295 . 0 0 "[ . 1 . 2]" 1
932 1 56 ARG QB 1 96 ILE HA . . 5.490 4.472 4.291 4.673 . 0 0 "[ . 1 . 2]" 1
933 1 56 ARG QB 1 97 ALA H . . 4.090 3.238 3.017 3.483 . 0 0 "[ . 1 . 2]" 1
934 1 56 ARG QB 1 97 ALA MB . . 3.460 2.457 2.017 2.939 . 0 0 "[ . 1 . 2]" 1
935 1 56 ARG QB 1 99 VAL QG . . 3.710 2.463 1.925 2.855 . 0 0 "[ . 1 . 2]" 1
936 1 56 ARG QB 1 104 VAL QG . . 3.460 2.811 2.285 3.139 . 0 0 "[ . 1 . 2]" 1
937 1 56 ARG QB 1 107 PHE QD . . 4.550 4.353 4.148 4.524 . 0 0 "[ . 1 . 2]" 1
938 1 56 ARG QB 1 107 PHE QE . . 5.050 2.988 2.690 3.539 . 0 0 "[ . 1 . 2]" 1
939 1 56 ARG QB 1 107 PHE HZ . . 4.370 2.548 2.011 3.530 . 0 0 "[ . 1 . 2]" 1
940 1 56 ARG QD 1 71 LEU QD . . 3.240 2.788 2.154 3.220 . 0 0 "[ . 1 . 2]" 1
941 1 56 ARG QD 1 71 LEU HG . . 4.650 4.324 3.982 4.598 . 0 0 "[ . 1 . 2]" 1
942 1 56 ARG QD 1 99 VAL QG . . 3.830 3.280 2.901 3.637 . 0 0 "[ . 1 . 2]" 1
943 1 56 ARG QD 1 104 VAL QG . . 3.350 2.782 2.075 3.360 0.010 2 0 "[ . 1 . 2]" 1
944 1 56 ARG QD 1 107 PHE QE . . 4.650 3.772 2.858 4.381 . 0 0 "[ . 1 . 2]" 1
945 1 56 ARG QD 1 107 PHE HZ . . 4.100 2.939 1.962 3.668 . 0 0 "[ . 1 . 2]" 1
946 1 56 ARG HD2 1 107 PHE HZ . . 4.670 3.106 2.033 3.874 . 0 0 "[ . 1 . 2]" 1
947 1 56 ARG HD3 1 107 PHE HZ . . 4.670 3.758 2.169 4.641 . 0 0 "[ . 1 . 2]" 1
948 1 56 ARG HE 1 99 VAL QG . . 3.930 3.071 2.236 3.943 0.013 2 0 "[ . 1 . 2]" 1
949 1 56 ARG QG 1 57 ILE H . . 4.380 3.781 3.155 4.380 0.000 7 0 "[ . 1 . 2]" 1
950 1 56 ARG QG 1 107 PHE QE . . 5.340 3.730 2.502 4.754 . 0 0 "[ . 1 . 2]" 1
951 1 56 ARG QG 1 107 PHE HZ . . 4.650 3.191 1.872 4.340 . 0 0 "[ . 1 . 2]" 1
952 1 57 ILE H 1 57 ILE HB . . 3.550 2.622 2.544 2.713 . 0 0 "[ . 1 . 2]" 1
953 1 57 ILE H 1 57 ILE MD . . 3.900 3.604 3.438 3.876 . 0 0 "[ . 1 . 2]" 1
954 1 57 ILE H 1 57 ILE HG12 . . 4.470 3.646 3.445 3.832 . 0 0 "[ . 1 . 2]" 1
955 1 57 ILE H 1 57 ILE HG13 . . 3.950 2.319 2.132 2.506 . 0 0 "[ . 1 . 2]" 1
956 1 57 ILE H 1 57 ILE MG . . 3.910 3.824 3.800 3.849 . 0 0 "[ . 1 . 2]" 1
957 1 57 ILE H 1 96 ILE MG . . 4.470 4.241 3.976 4.433 . 0 0 "[ . 1 . 2]" 1
958 1 57 ILE H 1 97 ALA H . . 5.300 4.787 4.638 5.000 . 0 0 "[ . 1 . 2]" 1
959 1 57 ILE HA 1 57 ILE MD . . 4.160 3.899 3.843 3.947 . 0 0 "[ . 1 . 2]" 1
960 1 57 ILE HA 1 57 ILE MG . . 3.520 2.379 2.325 2.437 . 0 0 "[ . 1 . 2]" 1
961 1 57 ILE HA 1 58 SER H . . 3.160 2.157 2.140 2.227 . 0 0 "[ . 1 . 2]" 1
962 1 57 ILE HA 1 96 ILE HA . . 3.820 2.374 2.157 2.506 . 0 0 "[ . 1 . 2]" 1
963 1 57 ILE HA 1 96 ILE MD . . 4.890 4.398 4.180 4.633 . 0 0 "[ . 1 . 2]" 1
964 1 57 ILE HA 1 96 ILE HG12 . . 4.770 3.020 2.755 3.207 . 0 0 "[ . 1 . 2]" 1
965 1 57 ILE HA 1 96 ILE MG . . 4.120 3.355 3.079 3.608 . 0 0 "[ . 1 . 2]" 1
966 1 57 ILE HA 1 97 ALA H . . 4.330 3.864 3.559 4.021 . 0 0 "[ . 1 . 2]" 1
967 1 57 ILE HA 1 107 PHE QE . . 4.000 3.311 2.770 3.694 . 0 0 "[ . 1 . 2]" 1
968 1 57 ILE HB 1 57 ILE MD . . 3.390 2.361 2.243 2.483 . 0 0 "[ . 1 . 2]" 1
969 1 57 ILE HB 1 59 HIS HD2 . . 4.680 4.015 3.718 4.560 . 0 0 "[ . 1 . 2]" 1
970 1 57 ILE HB 1 72 GLU HB3 . . 3.790 2.111 1.999 2.497 . 0 0 "[ . 1 . 2]" 1
971 1 57 ILE HB 1 96 ILE MG . . 5.000 4.703 4.431 4.978 . 0 0 "[ . 1 . 2]" 1
972 1 57 ILE MD 1 74 VAL H . . 4.960 4.506 4.258 4.856 . 0 0 "[ . 1 . 2]" 1
973 1 57 ILE MD 1 74 VAL HB . . 4.290 3.935 3.627 4.258 . 0 0 "[ . 1 . 2]" 1
974 1 57 ILE MD 1 74 VAL MG1 . . 3.510 2.306 1.953 2.838 . 0 0 "[ . 1 . 2]" 1
975 1 57 ILE MD 1 74 VAL MG2 . . 3.160 1.995 1.810 2.229 . 0 0 "[ . 1 . 2]" 1
976 1 57 ILE MD 1 81 ALA MB . . 3.010 1.918 1.736 2.110 . 0 0 "[ . 1 . 2]" 1
977 1 57 ILE MD 1 83 ILE MD . . 4.320 3.909 3.700 4.118 . 0 0 "[ . 1 . 2]" 1
978 1 57 ILE MD 1 83 ILE HG12 . . 5.500 4.644 4.343 4.976 . 0 0 "[ . 1 . 2]" 1
979 1 57 ILE MD 1 96 ILE MD . . 4.080 2.907 2.476 3.193 . 0 0 "[ . 1 . 2]" 1
980 1 57 ILE MD 1 96 ILE MG . . 3.840 3.280 3.049 3.559 . 0 0 "[ . 1 . 2]" 1
981 1 57 ILE HG12 1 58 SER H . . 5.440 4.608 4.315 4.822 . 0 0 "[ . 1 . 2]" 1
982 1 57 ILE HG12 1 96 ILE MD . . 3.810 2.646 2.392 2.847 . 0 0 "[ . 1 . 2]" 1
983 1 57 ILE HG12 1 96 ILE HG12 . . 4.400 2.231 2.004 2.616 . 0 0 "[ . 1 . 2]" 1
984 1 57 ILE HG12 1 96 ILE HG13 . . 4.330 3.947 3.726 4.270 . 0 0 "[ . 1 . 2]" 1
985 1 57 ILE HG12 1 96 ILE MG . . 3.860 2.213 2.012 2.464 . 0 0 "[ . 1 . 2]" 1
986 1 57 ILE HG13 1 72 GLU HB3 . . 5.010 4.085 3.618 4.584 . 0 0 "[ . 1 . 2]" 1
987 1 57 ILE HG13 1 96 ILE MD . . 4.280 4.017 3.675 4.265 . 0 0 "[ . 1 . 2]" 1
988 1 57 ILE HG13 1 96 ILE HG12 . . 4.480 3.860 3.565 4.251 . 0 0 "[ . 1 . 2]" 1
989 1 57 ILE HG13 1 96 ILE MG . . 3.850 2.894 2.496 3.151 . 0 0 "[ . 1 . 2]" 1
990 1 57 ILE MG 1 58 SER H . . 3.420 2.627 2.135 2.990 . 0 0 "[ . 1 . 2]" 1
991 1 57 ILE MG 1 58 SER HA . . 4.340 3.772 3.459 4.038 . 0 0 "[ . 1 . 2]" 1
992 1 57 ILE MG 1 58 SER QB . . 4.570 4.315 4.030 4.463 . 0 0 "[ . 1 . 2]" 1
993 1 57 ILE MG 1 59 HIS HA . . 4.530 4.310 4.127 4.487 . 0 0 "[ . 1 . 2]" 1
994 1 57 ILE MG 1 59 HIS HB2 . . 4.890 4.709 4.461 4.893 0.003 19 0 "[ . 1 . 2]" 1
995 1 57 ILE MG 1 59 HIS HB3 . . 4.050 3.224 2.987 3.412 . 0 0 "[ . 1 . 2]" 1
996 1 57 ILE MG 1 59 HIS HD2 . . 3.610 3.303 2.851 3.605 . 0 0 "[ . 1 . 2]" 1
997 1 57 ILE MG 1 72 GLU QG . . 5.110 4.242 3.718 4.993 . 0 0 "[ . 1 . 2]" 1
998 1 57 ILE MG 1 94 VAL HA . . 4.240 3.930 3.715 4.176 . 0 0 "[ . 1 . 2]" 1
999 1 57 ILE MG 1 96 ILE HA . . 4.700 3.678 3.420 3.972 . 0 0 "[ . 1 . 2]" 1
1000 1 57 ILE MG 1 96 ILE MD . . 4.180 3.144 2.812 3.463 . 0 0 "[ . 1 . 2]" 1
1001 1 57 ILE MG 1 96 ILE HG13 . . 3.620 3.523 3.362 3.620 . 0 0 "[ . 1 . 2]" 1
1002 1 57 ILE MG 1 96 ILE MG . . 4.030 3.648 3.354 3.882 . 0 0 "[ . 1 . 2]" 1
1003 1 58 SER H 1 58 SER HB2 . . 3.920 3.080 2.571 3.706 . 0 0 "[ . 1 . 2]" 1
1004 1 58 SER H 1 58 SER QB . . 3.270 2.493 2.323 3.148 . 0 0 "[ . 1 . 2]" 1
1005 1 58 SER H 1 58 SER HB3 . . 3.920 2.690 2.407 3.721 . 0 0 "[ . 1 . 2]" 1
1006 1 58 SER H 1 71 LEU QD . . 4.300 3.849 3.553 4.127 . 0 0 "[ . 1 . 2]" 1
1007 1 58 SER H 1 94 VAL HA . . 4.900 4.613 4.168 4.878 . 0 0 "[ . 1 . 2]" 1
1008 1 58 SER H 1 94 VAL MG1 . . 4.390 4.099 3.627 4.385 . 0 0 "[ . 1 . 2]" 1
1009 1 58 SER H 1 95 ARG H . . 3.790 2.889 2.481 3.147 . 0 0 "[ . 1 . 2]" 1
1010 1 58 SER H 1 96 ILE HA . . 4.310 3.614 3.442 3.758 . 0 0 "[ . 1 . 2]" 1
1011 1 58 SER H 1 96 ILE MG . . 5.240 5.004 4.787 5.222 . 0 0 "[ . 1 . 2]" 1
1012 1 58 SER H 1 97 ALA H . . 5.500 5.232 4.756 5.502 0.002 16 0 "[ . 1 . 2]" 1
1013 1 58 SER H 1 107 PHE QD . . 4.120 3.469 2.915 3.823 . 0 0 "[ . 1 . 2]" 1
1014 1 58 SER H 1 107 PHE QE . . 4.790 2.833 2.465 3.296 . 0 0 "[ . 1 . 2]" 1
1015 1 58 SER HA 1 59 HIS H . . 2.880 2.163 2.141 2.200 . 0 0 "[ . 1 . 2]" 1
1016 1 58 SER HA 1 59 HIS HD2 . . 4.500 3.288 2.976 3.701 . 0 0 "[ . 1 . 2]" 1
1017 1 58 SER HA 1 71 LEU HA . . 3.860 2.772 2.383 3.109 . 0 0 "[ . 1 . 2]" 1
1018 1 58 SER HA 1 71 LEU QB . . 4.940 4.365 3.772 4.726 . 0 0 "[ . 1 . 2]" 1
1019 1 58 SER HA 1 71 LEU QD . . 3.180 2.031 1.897 2.282 . 0 0 "[ . 1 . 2]" 1
1020 1 58 SER HA 1 71 LEU HG . . 5.410 4.776 2.759 5.094 . 0 0 "[ . 1 . 2]" 1
1021 1 58 SER HA 1 72 GLU H . . 4.790 3.247 2.771 3.607 . 0 0 "[ . 1 . 2]" 1
1022 1 58 SER HA 1 107 PHE QE . . 4.970 4.163 3.623 4.481 . 0 0 "[ . 1 . 2]" 1
1023 1 58 SER QB 1 59 HIS H . . 4.190 3.877 3.608 3.989 . 0 0 "[ . 1 . 2]" 1
1024 1 58 SER QB 1 71 LEU QD . . 3.360 2.270 1.916 3.139 . 0 0 "[ . 1 . 2]" 1
1025 1 58 SER QB 1 95 ARG H . . 5.080 3.861 3.118 4.836 . 0 0 "[ . 1 . 2]" 1
1026 1 58 SER QB 1 95 ARG HB2 . . 3.850 2.507 1.998 3.493 . 0 0 "[ . 1 . 2]" 1
1027 1 58 SER QB 1 107 PHE QD . . 3.930 3.345 2.834 3.707 . 0 0 "[ . 1 . 2]" 1
1028 1 58 SER QB 1 107 PHE QE . . 4.390 2.512 2.248 2.822 . 0 0 "[ . 1 . 2]" 1
1029 1 58 SER QB 1 107 PHE HZ . . 4.880 3.554 3.017 4.454 . 0 0 "[ . 1 . 2]" 1
1030 1 58 SER HB2 1 59 HIS H . . 4.990 4.348 3.857 4.526 . 0 0 "[ . 1 . 2]" 1
1031 1 58 SER HB2 1 95 ARG HB2 . . 4.510 3.893 2.215 4.470 . 0 0 "[ . 1 . 2]" 1
1032 1 58 SER HB2 1 107 PHE QD . . 4.490 4.161 2.865 4.499 0.009 11 0 "[ . 1 . 2]" 1
1033 1 58 SER HB3 1 59 HIS H . . 4.990 4.379 3.828 4.524 . 0 0 "[ . 1 . 2]" 1
1034 1 58 SER HB3 1 95 ARG HB2 . . 4.510 2.676 2.015 4.435 . 0 0 "[ . 1 . 2]" 1
1035 1 58 SER HB3 1 107 PHE QD . . 4.490 3.607 3.226 4.495 0.005 7 0 "[ . 1 . 2]" 1
1036 1 59 HIS H 1 59 HIS HD2 . . 3.680 2.029 1.901 2.309 . 0 0 "[ . 1 . 2]" 1
1037 1 59 HIS H 1 60 VAL QG . . 5.180 4.243 3.673 5.171 . 0 0 "[ . 1 . 2]" 1
1038 1 59 HIS H 1 70 LEU H . . 4.940 4.581 4.224 4.866 . 0 0 "[ . 1 . 2]" 1
1039 1 59 HIS H 1 70 LEU HB2 . . 4.590 4.406 4.150 4.571 . 0 0 "[ . 1 . 2]" 1
1040 1 59 HIS H 1 70 LEU HB3 . . 5.320 4.794 4.052 5.278 . 0 0 "[ . 1 . 2]" 1
1041 1 59 HIS H 1 71 LEU HA . . 3.950 2.943 2.355 3.149 . 0 0 "[ . 1 . 2]" 1
1042 1 59 HIS H 1 71 LEU QB . . 5.180 4.854 4.221 5.078 . 0 0 "[ . 1 . 2]" 1
1043 1 59 HIS H 1 71 LEU QD . . 3.580 3.297 2.888 3.481 . 0 0 "[ . 1 . 2]" 1
1044 1 59 HIS HA 1 60 VAL H . . 3.010 2.149 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
1045 1 59 HIS HA 1 60 VAL HB . . 4.790 4.636 4.444 4.791 0.001 14 0 "[ . 1 . 2]" 1
1046 1 59 HIS HA 1 60 VAL QG . . 4.300 3.778 3.585 4.075 . 0 0 "[ . 1 . 2]" 1
1047 1 59 HIS HA 1 83 ILE MD . . 4.670 4.380 3.884 4.642 . 0 0 "[ . 1 . 2]" 1
1048 1 59 HIS HA 1 94 VAL HA . . 3.960 2.866 2.678 3.056 . 0 0 "[ . 1 . 2]" 1
1049 1 59 HIS HA 1 94 VAL MG1 . . 4.590 4.174 3.988 4.373 . 0 0 "[ . 1 . 2]" 1
1050 1 59 HIS HA 1 94 VAL MG2 . . 3.890 3.727 3.394 3.881 . 0 0 "[ . 1 . 2]" 1
1051 1 59 HIS HB2 1 60 VAL H . . 3.990 3.638 3.385 3.708 . 0 0 "[ . 1 . 2]" 1
1052 1 59 HIS HB2 1 61 TRP HE1 . . 4.390 3.643 3.241 4.119 . 0 0 "[ . 1 . 2]" 1
1053 1 59 HIS HB2 1 83 ILE MD . . 4.190 2.901 2.477 3.196 . 0 0 "[ . 1 . 2]" 1
1054 1 59 HIS HB2 1 94 VAL MG1 . . 5.200 4.682 4.240 5.179 . 0 0 "[ . 1 . 2]" 1
1055 1 59 HIS HB2 1 94 VAL MG2 . . 4.020 3.735 3.275 4.018 . 0 0 "[ . 1 . 2]" 1
1056 1 59 HIS HB3 1 60 VAL H . . 4.450 4.354 4.237 4.416 . 0 0 "[ . 1 . 2]" 1
1057 1 59 HIS HB3 1 61 TRP HE1 . . 5.440 5.105 4.821 5.433 . 0 0 "[ . 1 . 2]" 1
1058 1 59 HIS HB3 1 83 ILE MD . . 4.100 2.453 1.975 2.697 . 0 0 "[ . 1 . 2]" 1
1059 1 59 HIS HB3 1 94 VAL MG1 . . 4.670 3.579 3.214 4.125 . 0 0 "[ . 1 . 2]" 1
1060 1 59 HIS HB3 1 94 VAL MG2 . . 3.740 3.474 2.975 3.736 . 0 0 "[ . 1 . 2]" 1
1061 1 59 HIS HD2 1 71 LEU HA . . 4.420 3.047 2.158 3.560 . 0 0 "[ . 1 . 2]" 1
1062 1 59 HIS HD2 1 71 LEU MD1 . . 5.280 4.135 3.607 4.890 . 0 0 "[ . 1 . 2]" 1
1063 1 59 HIS HD2 1 71 LEU QD . . 4.600 3.711 3.304 4.094 . 0 0 "[ . 1 . 2]" 1
1064 1 59 HIS HD2 1 71 LEU MD2 . . 5.280 4.263 3.676 5.281 0.001 12 0 "[ . 1 . 2]" 1
1065 1 59 HIS HD2 1 72 GLU H . . 4.090 2.531 2.051 2.952 . 0 0 "[ . 1 . 2]" 1
1066 1 59 HIS HD2 1 72 GLU HB2 . . 4.820 2.619 2.183 2.949 . 0 0 "[ . 1 . 2]" 1
1067 1 59 HIS HD2 1 72 GLU QG . . 4.850 4.549 4.242 4.799 . 0 0 "[ . 1 . 2]" 1
1068 1 59 HIS HD2 1 83 ILE MD . . 4.300 3.182 2.701 3.487 . 0 0 "[ . 1 . 2]" 1
1069 1 59 HIS HE1 1 61 TRP HE1 . . 4.100 3.253 2.596 3.714 . 0 0 "[ . 1 . 2]" 1
1070 1 59 HIS HE1 1 61 TRP HZ2 . . 5.080 4.546 3.565 5.079 . 0 0 "[ . 1 . 2]" 1
1071 1 59 HIS HE1 1 70 LEU HB2 . . 4.560 2.879 2.540 3.437 . 0 0 "[ . 1 . 2]" 1
1072 1 59 HIS HE1 1 70 LEU HB3 . . 4.320 2.481 2.224 2.921 . 0 0 "[ . 1 . 2]" 1
1073 1 59 HIS HE1 1 70 LEU MD1 . . 4.040 2.895 2.066 3.961 . 0 0 "[ . 1 . 2]" 1
1074 1 59 HIS HE1 1 70 LEU QD . . 3.330 2.690 1.848 3.330 0.000 6 0 "[ . 1 . 2]" 1
1075 1 59 HIS HE1 1 70 LEU MD2 . . 4.040 3.726 1.851 4.024 . 0 0 "[ . 1 . 2]" 1
1076 1 59 HIS HE1 1 83 ILE MD . . 4.310 3.668 3.248 4.245 . 0 0 "[ . 1 . 2]" 1
1077 1 59 HIS HE1 1 83 ILE MG . . 3.870 2.500 2.128 3.092 . 0 0 "[ . 1 . 2]" 1
1078 1 59 HIS HE1 1 86 GLN HE21 . . 5.450 4.116 3.259 5.140 . 0 0 "[ . 1 . 2]" 1
1079 1 59 HIS HE1 1 86 GLN QG . . 4.100 3.619 2.757 4.058 . 0 0 "[ . 1 . 2]" 1
1080 1 59 HIS HE2 1 70 LEU QD . . 5.060 3.749 3.252 4.060 . 0 0 "[ . 1 . 2]" 1
1081 1 59 HIS HE2 1 72 GLU HB2 . . 4.690 2.636 1.916 3.217 . 0 0 "[ . 1 . 2]" 1
1082 1 59 HIS HE2 1 72 GLU QG . . 4.530 4.014 3.549 4.526 . 0 0 "[ . 1 . 2]" 1
1083 1 59 HIS HE2 1 83 ILE MD . . 4.630 3.722 3.077 4.416 . 0 0 "[ . 1 . 2]" 1
1084 1 59 HIS HE2 1 83 ILE MG . . 4.440 3.430 2.753 4.075 . 0 0 "[ . 1 . 2]" 1
1085 1 60 VAL H 1 60 VAL HB . . 3.730 2.642 2.460 3.011 . 0 0 "[ . 1 . 2]" 1
1086 1 60 VAL H 1 60 VAL QG . . 3.350 2.511 1.845 2.879 . 0 0 "[ . 1 . 2]" 1
1087 1 60 VAL H 1 92 CYS HA . . 4.700 4.378 4.135 4.609 . 0 0 "[ . 1 . 2]" 1
1088 1 60 VAL H 1 93 THR H . . 3.630 2.837 2.522 3.023 . 0 0 "[ . 1 . 2]" 1
1089 1 60 VAL H 1 93 THR HB . . 4.230 3.596 3.269 3.901 . 0 0 "[ . 1 . 2]" 1
1090 1 60 VAL H 1 94 VAL HA . . 4.430 4.320 4.001 4.426 . 0 0 "[ . 1 . 2]" 1
1091 1 60 VAL H 1 94 VAL MG2 . . 5.020 4.831 4.472 5.023 0.003 10 0 "[ . 1 . 2]" 1
1092 1 60 VAL HA 1 61 TRP H . . 3.170 2.295 2.186 2.401 . 0 0 "[ . 1 . 2]" 1
1093 1 60 VAL HA 1 61 TRP HD1 . . 3.990 2.953 2.665 3.122 . 0 0 "[ . 1 . 2]" 1
1094 1 60 VAL HA 1 69 GLU QB . . 5.030 3.958 3.011 4.950 . 0 0 "[ . 1 . 2]" 1
1095 1 60 VAL HA 1 70 LEU H . . 3.900 2.323 2.064 2.697 . 0 0 "[ . 1 . 2]" 1
1096 1 60 VAL HB 1 61 TRP H . . 4.360 3.859 3.553 4.124 . 0 0 "[ . 1 . 2]" 1
1097 1 60 VAL HB 1 93 THR H . . 4.580 3.784 3.356 4.594 0.014 8 0 "[ . 1 . 2]" 1
1098 1 60 VAL HB 1 93 THR HB . . 4.290 3.717 3.230 4.286 . 0 0 "[ . 1 . 2]" 1
1099 1 60 VAL QG 1 61 TRP H . . 3.470 1.971 1.757 2.327 . 0 0 "[ . 1 . 2]" 1
1100 1 60 VAL QG 1 61 TRP HD1 . . 4.410 3.831 3.639 4.011 . 0 0 "[ . 1 . 2]" 1
1101 1 60 VAL QG 1 62 GLN HA . . 4.870 4.155 3.955 4.384 . 0 0 "[ . 1 . 2]" 1
1102 1 60 VAL QG 1 62 GLN QE . . 4.600 3.813 3.220 4.490 . 0 0 "[ . 1 . 2]" 1
1103 1 60 VAL QG 1 62 GLN HG2 . . 3.950 3.673 3.489 3.854 . 0 0 "[ . 1 . 2]" 1
1104 1 60 VAL QG 1 62 GLN HG3 . . 3.320 2.646 2.465 3.029 . 0 0 "[ . 1 . 2]" 1
1105 1 60 VAL QG 1 67 SER HB2 . . 4.810 4.515 4.276 4.744 . 0 0 "[ . 1 . 2]" 1
1106 1 60 VAL QG 1 68 LYS H . . 4.330 4.043 3.833 4.175 . 0 0 "[ . 1 . 2]" 1
1107 1 60 VAL QG 1 69 GLU QB . . 3.400 2.301 1.729 3.180 . 0 0 "[ . 1 . 2]" 1
1108 1 60 VAL QG 1 69 GLU QG . . 3.520 2.377 1.722 3.541 0.021 12 0 "[ . 1 . 2]" 1
1109 1 60 VAL QG 1 70 LEU H . . 3.890 2.923 2.604 3.487 . 0 0 "[ . 1 . 2]" 1
1110 1 60 VAL QG 1 93 THR H . . 5.440 3.497 1.870 4.124 . 0 0 "[ . 1 . 2]" 1
1111 1 60 VAL QG 1 93 THR HB . . 4.630 3.471 1.906 4.205 . 0 0 "[ . 1 . 2]" 1
1112 1 60 VAL MG1 1 70 LEU H . . 4.760 3.929 3.272 4.823 0.063 19 0 "[ . 1 . 2]" 1
1113 1 60 VAL MG2 1 70 LEU H . . 4.760 3.036 2.657 3.585 . 0 0 "[ . 1 . 2]" 1
1114 1 61 TRP H 1 61 TRP HB2 . . 3.700 2.705 2.617 2.846 . 0 0 "[ . 1 . 2]" 1
1115 1 61 TRP H 1 61 TRP HD1 . . 3.730 2.600 2.330 3.027 . 0 0 "[ . 1 . 2]" 1
1116 1 61 TRP H 1 67 SER HA . . 5.500 5.465 5.366 5.519 0.019 7 0 "[ . 1 . 2]" 1
1117 1 61 TRP H 1 68 LYS H . . 4.010 3.904 3.753 4.002 . 0 0 "[ . 1 . 2]" 1
1118 1 61 TRP H 1 70 LEU H . . 4.590 3.832 3.515 4.159 . 0 0 "[ . 1 . 2]" 1
1119 1 61 TRP HA 1 61 TRP HD1 . . 4.540 4.015 3.928 4.130 . 0 0 "[ . 1 . 2]" 1
1120 1 61 TRP HA 1 62 GLN H . . 2.920 2.152 2.141 2.214 . 0 0 "[ . 1 . 2]" 1
1121 1 61 TRP HA 1 62 GLN HB2 . . 4.830 4.269 4.166 4.341 . 0 0 "[ . 1 . 2]" 1
1122 1 61 TRP HA 1 87 VAL MG1 . . 5.300 5.080 4.745 5.261 . 0 0 "[ . 1 . 2]" 1
1123 1 61 TRP HA 1 90 ALA MB . . 4.610 3.926 3.717 4.115 . 0 0 "[ . 1 . 2]" 1
1124 1 61 TRP HA 1 92 CYS HA . . 4.010 2.661 2.379 2.850 . 0 0 "[ . 1 . 2]" 1
1125 1 61 TRP HB2 1 61 TRP HD1 . . 3.890 2.789 2.712 2.849 . 0 0 "[ . 1 . 2]" 1
1126 1 61 TRP HB2 1 68 LYS H . . 4.010 3.214 2.950 3.468 . 0 0 "[ . 1 . 2]" 1
1127 1 61 TRP HB2 1 68 LYS HB2 . . 4.650 2.743 2.331 3.664 . 0 0 "[ . 1 . 2]" 1
1128 1 61 TRP HB2 1 68 LYS QB . . 3.790 2.706 2.296 3.536 . 0 0 "[ . 1 . 2]" 1
1129 1 61 TRP HB2 1 68 LYS HB3 . . 4.650 4.197 3.450 4.656 0.006 12 0 "[ . 1 . 2]" 1
1130 1 61 TRP HB2 1 68 LYS QG . . 4.420 4.113 1.992 4.421 0.001 20 0 "[ . 1 . 2]" 1
1131 1 61 TRP HB2 1 70 LEU QD . . 4.660 4.005 3.435 4.524 . 0 0 "[ . 1 . 2]" 1
1132 1 61 TRP HB2 1 87 VAL HB . . 4.560 3.662 3.449 4.028 . 0 0 "[ . 1 . 2]" 1
1133 1 61 TRP HB2 1 87 VAL MG1 . . 4.660 4.345 4.096 4.585 . 0 0 "[ . 1 . 2]" 1
1134 1 61 TRP HB2 1 87 VAL MG2 . . 4.410 3.501 3.196 3.805 . 0 0 "[ . 1 . 2]" 1
1135 1 61 TRP HB3 1 62 GLN H . . 4.050 3.380 2.988 3.609 . 0 0 "[ . 1 . 2]" 1
1136 1 61 TRP HB3 1 87 VAL H . . 4.840 4.611 4.344 4.837 . 0 0 "[ . 1 . 2]" 1
1137 1 61 TRP HB3 1 87 VAL HB . . 3.770 2.656 2.450 2.801 . 0 0 "[ . 1 . 2]" 1
1138 1 61 TRP HB3 1 87 VAL MG1 . . 4.510 3.356 3.050 3.479 . 0 0 "[ . 1 . 2]" 1
1139 1 61 TRP HB3 1 87 VAL MG2 . . 3.680 3.416 3.083 3.619 . 0 0 "[ . 1 . 2]" 1
1140 1 61 TRP HB3 1 90 ALA MB . . 4.040 3.194 3.098 3.310 . 0 0 "[ . 1 . 2]" 1
1141 1 61 TRP HD1 1 68 LYS QB . . 4.320 3.782 3.407 4.098 . 0 0 "[ . 1 . 2]" 1
1142 1 61 TRP HD1 1 70 LEU H . . 4.450 3.393 2.848 4.046 . 0 0 "[ . 1 . 2]" 1
1143 1 61 TRP HD1 1 70 LEU QD . . 3.380 2.345 1.980 2.753 . 0 0 "[ . 1 . 2]" 1
1144 1 61 TRP HD1 1 70 LEU HG . . 4.570 3.578 2.673 4.549 . 0 0 "[ . 1 . 2]" 1
1145 1 61 TRP HE1 1 70 LEU QD . . 3.790 2.462 1.869 3.265 . 0 0 "[ . 1 . 2]" 1
1146 1 61 TRP HE1 1 83 ILE MD . . 4.650 4.416 4.095 4.653 0.003 13 0 "[ . 1 . 2]" 1
1147 1 61 TRP HE1 1 83 ILE MG . . 4.920 3.601 3.142 4.255 . 0 0 "[ . 1 . 2]" 1
1148 1 61 TRP HE1 1 86 GLN HG2 . . 4.800 4.045 3.023 4.804 0.004 18 0 "[ . 1 . 2]" 1
1149 1 61 TRP HE1 1 86 GLN HG3 . . 4.800 3.509 2.888 4.652 . 0 0 "[ . 1 . 2]" 1
1150 1 61 TRP HE3 1 85 VAL MG1 . . 4.410 4.304 4.052 4.425 0.015 13 0 "[ . 1 . 2]" 1
1151 1 61 TRP HE3 1 87 VAL H . . 3.970 3.429 3.186 3.634 . 0 0 "[ . 1 . 2]" 1
1152 1 61 TRP HE3 1 87 VAL HB . . 4.870 2.538 2.313 2.679 . 0 0 "[ . 1 . 2]" 1
1153 1 61 TRP HE3 1 87 VAL MG1 . . 4.740 3.182 2.827 3.312 . 0 0 "[ . 1 . 2]" 1
1154 1 61 TRP HE3 1 90 ALA H . . 4.880 4.770 4.700 4.878 . 0 0 "[ . 1 . 2]" 1
1155 1 61 TRP HE3 1 90 ALA MB . . 4.270 2.755 2.654 2.838 . 0 0 "[ . 1 . 2]" 1
1156 1 61 TRP HE3 1 115 ILE HB . . 4.890 4.530 4.407 4.676 . 0 0 "[ . 1 . 2]" 1
1157 1 61 TRP HE3 1 115 ILE MD . . 4.090 3.906 3.648 4.090 . 0 0 "[ . 1 . 2]" 1
1158 1 61 TRP HE3 1 115 ILE HG12 . . 4.590 4.335 4.226 4.482 . 0 0 "[ . 1 . 2]" 1
1159 1 61 TRP HE3 1 115 ILE HG13 . . 4.250 2.863 2.724 2.970 . 0 0 "[ . 1 . 2]" 1
1160 1 61 TRP HE3 1 115 ILE MG . . 4.210 4.059 3.876 4.162 . 0 0 "[ . 1 . 2]" 1
1161 1 61 TRP HH2 1 83 ILE MD . . 5.500 5.314 4.974 5.504 0.004 13 0 "[ . 1 . 2]" 1
1162 1 61 TRP HH2 1 85 VAL HA . . 3.540 2.035 1.993 2.129 . 0 0 "[ . 1 . 2]" 1
1163 1 61 TRP HH2 1 85 VAL HB . . 4.860 4.588 4.364 4.767 . 0 0 "[ . 1 . 2]" 1
1164 1 61 TRP HH2 1 85 VAL MG1 . . 3.850 2.785 2.468 3.040 . 0 0 "[ . 1 . 2]" 1
1165 1 61 TRP HH2 1 85 VAL MG2 . . 3.630 2.643 2.280 3.036 . 0 0 "[ . 1 . 2]" 1
1166 1 61 TRP HH2 1 86 GLN H . . 4.400 3.094 2.541 3.433 . 0 0 "[ . 1 . 2]" 1
1167 1 61 TRP HH2 1 87 VAL H . . 4.680 3.867 3.631 4.095 . 0 0 "[ . 1 . 2]" 1
1168 1 61 TRP HH2 1 115 ILE MD . . 3.830 2.947 2.670 3.275 . 0 0 "[ . 1 . 2]" 1
1169 1 61 TRP HZ2 1 70 LEU QD . . 5.010 4.436 3.841 5.014 0.004 20 0 "[ . 1 . 2]" 1
1170 1 61 TRP HZ2 1 83 ILE MD . . 4.090 3.926 3.721 4.083 . 0 0 "[ . 1 . 2]" 1
1171 1 61 TRP HZ2 1 83 ILE MG . . 3.730 2.910 2.470 3.443 . 0 0 "[ . 1 . 2]" 1
1172 1 61 TRP HZ2 1 85 VAL H . . 5.500 5.009 4.723 5.396 . 0 0 "[ . 1 . 2]" 1
1173 1 61 TRP HZ2 1 85 VAL HA . . 4.010 3.073 2.795 3.315 . 0 0 "[ . 1 . 2]" 1
1174 1 61 TRP HZ2 1 85 VAL MG1 . . 4.820 4.462 4.169 4.663 . 0 0 "[ . 1 . 2]" 1
1175 1 61 TRP HZ2 1 85 VAL MG2 . . 4.720 4.400 4.027 4.745 0.025 13 0 "[ . 1 . 2]" 1
1176 1 61 TRP HZ2 1 86 GLN H . . 4.150 2.901 2.399 3.258 . 0 0 "[ . 1 . 2]" 1
1177 1 61 TRP HZ2 1 86 GLN HB2 . . 4.770 4.131 2.941 4.572 . 0 0 "[ . 1 . 2]" 1
1178 1 61 TRP HZ2 1 86 GLN HG2 . . 4.820 3.710 3.218 4.366 . 0 0 "[ . 1 . 2]" 1
1179 1 61 TRP HZ2 1 86 GLN QG . . 4.110 3.508 3.076 3.994 . 0 0 "[ . 1 . 2]" 1
1180 1 61 TRP HZ2 1 86 GLN HG3 . . 4.820 4.345 3.825 4.899 0.079 13 0 "[ . 1 . 2]" 1
1181 1 61 TRP HZ2 1 115 ILE MD . . 5.200 4.640 4.409 4.880 . 0 0 "[ . 1 . 2]" 1
1182 1 61 TRP HZ3 1 85 VAL MG1 . . 4.210 2.654 2.352 2.839 . 0 0 "[ . 1 . 2]" 1
1183 1 61 TRP HZ3 1 85 VAL MG2 . . 4.490 3.811 3.335 4.021 . 0 0 "[ . 1 . 2]" 1
1184 1 61 TRP HZ3 1 87 VAL H . . 3.650 3.305 3.118 3.502 . 0 0 "[ . 1 . 2]" 1
1185 1 61 TRP HZ3 1 87 VAL HB . . 4.320 4.102 3.901 4.267 . 0 0 "[ . 1 . 2]" 1
1186 1 61 TRP HZ3 1 87 VAL MG1 . . 4.350 4.274 4.057 4.354 0.004 20 0 "[ . 1 . 2]" 1
1187 1 61 TRP HZ3 1 90 ALA MB . . 4.310 4.215 4.095 4.312 0.002 19 0 "[ . 1 . 2]" 1
1188 1 61 TRP HZ3 1 115 ILE MD . . 3.930 2.365 1.975 2.729 . 0 0 "[ . 1 . 2]" 1
1189 1 61 TRP HZ3 1 115 ILE HG13 . . 4.850 2.055 1.999 2.230 . 0 0 "[ . 1 . 2]" 1
1190 1 61 TRP HZ3 1 115 ILE MG . . 4.400 2.188 2.055 2.401 . 0 0 "[ . 1 . 2]" 1
1191 1 62 GLN H 1 62 GLN HB2 . . 3.580 2.492 2.388 2.643 . 0 0 "[ . 1 . 2]" 1
1192 1 62 GLN H 1 62 GLN HB3 . . 3.790 3.612 3.568 3.684 . 0 0 "[ . 1 . 2]" 1
1193 1 62 GLN H 1 62 GLN HG2 . . 4.810 4.243 4.139 4.415 . 0 0 "[ . 1 . 2]" 1
1194 1 62 GLN H 1 62 GLN HG3 . . 4.430 3.675 3.514 3.864 . 0 0 "[ . 1 . 2]" 1
1195 1 62 GLN H 1 63 SER HB3 . . 5.500 5.393 5.249 5.502 0.002 4 0 "[ . 1 . 2]" 1
1196 1 62 GLN H 1 90 ALA MB . . 3.610 3.216 2.992 3.436 . 0 0 "[ . 1 . 2]" 1
1197 1 62 GLN H 1 91 THR HB . . 5.050 4.769 4.526 4.910 . 0 0 "[ . 1 . 2]" 1
1198 1 62 GLN HA 1 62 GLN HG2 . . 3.670 2.217 2.158 2.349 . 0 0 "[ . 1 . 2]" 1
1199 1 62 GLN HA 1 62 GLN HG3 . . 3.960 3.033 2.846 3.123 . 0 0 "[ . 1 . 2]" 1
1200 1 62 GLN HA 1 63 SER H . . 2.800 2.149 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
1201 1 62 GLN HA 1 63 SER HB2 . . 5.150 5.019 4.905 5.104 . 0 0 "[ . 1 . 2]" 1
1202 1 62 GLN HA 1 66 ILE MG . . 4.770 4.769 4.716 4.804 0.034 7 0 "[ . 1 . 2]" 1
1203 1 62 GLN HA 1 67 SER HB2 . . 4.680 3.427 3.285 3.711 . 0 0 "[ . 1 . 2]" 1
1204 1 62 GLN HA 1 67 SER HB3 . . 4.950 3.669 3.358 3.963 . 0 0 "[ . 1 . 2]" 1
1205 1 62 GLN HA 1 87 VAL MG1 . . 5.500 5.396 5.124 5.501 0.001 2 0 "[ . 1 . 2]" 1
1206 1 62 GLN HA 1 91 THR H . . 5.230 4.992 4.757 5.180 . 0 0 "[ . 1 . 2]" 1
1207 1 62 GLN HB2 1 63 SER H . . 4.880 4.526 4.491 4.570 . 0 0 "[ . 1 . 2]" 1
1208 1 62 GLN HB2 1 67 SER HB2 . . 5.500 5.469 5.363 5.504 0.004 20 0 "[ . 1 . 2]" 1
1209 1 62 GLN HB2 1 90 ALA MB . . 5.210 4.707 4.465 4.887 . 0 0 "[ . 1 . 2]" 1
1210 1 62 GLN HB2 1 91 THR H . . 4.310 4.039 3.629 4.262 . 0 0 "[ . 1 . 2]" 1
1211 1 62 GLN HB2 1 91 THR HB . . 4.440 4.251 4.017 4.442 0.002 2 0 "[ . 1 . 2]" 1
1212 1 62 GLN HB2 1 91 THR MG . . 5.500 4.909 4.532 5.266 . 0 0 "[ . 1 . 2]" 1
1213 1 62 GLN HB3 1 63 SER H . . 3.920 3.708 3.607 3.845 . 0 0 "[ . 1 . 2]" 1
1214 1 62 GLN HB3 1 67 SER HA . . 5.110 4.729 4.474 4.876 . 0 0 "[ . 1 . 2]" 1
1215 1 62 GLN HB3 1 67 SER HB2 . . 5.100 4.803 4.659 4.886 . 0 0 "[ . 1 . 2]" 1
1216 1 62 GLN HB3 1 67 SER HB3 . . 5.150 4.791 4.390 5.075 . 0 0 "[ . 1 . 2]" 1
1217 1 62 GLN HB3 1 91 THR H . . 4.650 4.422 4.028 4.655 0.005 7 0 "[ . 1 . 2]" 1
1218 1 62 GLN HB3 1 91 THR HB . . 5.480 5.252 5.094 5.481 0.001 2 0 "[ . 1 . 2]" 1
1219 1 62 GLN HG2 1 63 SER H . . 4.150 4.031 3.947 4.137 . 0 0 "[ . 1 . 2]" 1
1220 1 62 GLN HG2 1 67 SER HA . . 4.300 3.362 2.931 3.600 . 0 0 "[ . 1 . 2]" 1
1221 1 62 GLN HG2 1 67 SER HB2 . . 4.430 2.587 2.460 2.705 . 0 0 "[ . 1 . 2]" 1
1222 1 62 GLN HG2 1 67 SER HB3 . . 4.670 3.378 3.130 3.611 . 0 0 "[ . 1 . 2]" 1
1223 1 62 GLN HG3 1 67 SER HB3 . . 5.330 5.096 4.780 5.333 0.003 18 0 "[ . 1 . 2]" 1
1224 1 63 SER H 1 63 SER HB2 . . 4.110 3.400 3.243 3.488 . 0 0 "[ . 1 . 2]" 1
1225 1 63 SER H 1 63 SER HB3 . . 3.820 2.477 2.339 2.547 . 0 0 "[ . 1 . 2]" 1
1226 1 63 SER H 1 66 ILE H . . 3.880 3.803 3.709 3.882 0.002 8 0 "[ . 1 . 2]" 1
1227 1 63 SER H 1 66 ILE HB . . 4.340 4.225 3.820 4.343 0.003 10 0 "[ . 1 . 2]" 1
1228 1 63 SER H 1 66 ILE MG . . 4.280 3.740 3.616 3.953 . 0 0 "[ . 1 . 2]" 1
1229 1 63 SER H 1 67 SER HA . . 4.150 2.661 2.543 2.867 . 0 0 "[ . 1 . 2]" 1
1230 1 63 SER H 1 90 ALA HA . . 5.500 5.453 5.264 5.514 0.014 11 0 "[ . 1 . 2]" 1
1231 1 63 SER H 1 90 ALA MB . . 4.580 3.536 3.361 3.622 . 0 0 "[ . 1 . 2]" 1
1232 1 63 SER HB2 1 66 ILE HB . . 4.600 4.264 4.122 4.423 . 0 0 "[ . 1 . 2]" 1
1233 1 63 SER HB2 1 87 VAL MG1 . . 3.700 2.640 2.466 2.785 . 0 0 "[ . 1 . 2]" 1
1234 1 63 SER HB2 1 87 VAL MG2 . . 4.730 4.471 4.244 4.622 . 0 0 "[ . 1 . 2]" 1
1235 1 63 SER HB2 1 90 ALA HA . . 3.990 3.173 3.022 3.276 . 0 0 "[ . 1 . 2]" 1
1236 1 63 SER HB2 1 90 ALA MB . . 3.530 1.804 1.771 1.879 . 0 0 "[ . 1 . 2]" 1
1237 1 63 SER HB2 1 91 THR H . . 4.700 4.250 4.009 4.424 . 0 0 "[ . 1 . 2]" 1
1238 1 63 SER HB3 1 64 ALA H . . 4.030 3.957 3.907 4.023 . 0 0 "[ . 1 . 2]" 1
1239 1 63 SER HB3 1 64 ALA MB . . 5.500 5.284 5.221 5.324 . 0 0 "[ . 1 . 2]" 1
1240 1 63 SER HB3 1 66 ILE H . . 4.440 3.538 3.366 3.675 . 0 0 "[ . 1 . 2]" 1
1241 1 63 SER HB3 1 66 ILE HB . . 4.080 2.736 2.632 2.822 . 0 0 "[ . 1 . 2]" 1
1242 1 63 SER HB3 1 66 ILE MD . . 5.380 5.335 5.215 5.393 0.013 7 0 "[ . 1 . 2]" 1
1243 1 63 SER HB3 1 66 ILE QG . . 5.340 4.513 4.296 4.602 . 0 0 "[ . 1 . 2]" 1
1244 1 63 SER HB3 1 66 ILE MG . . 3.880 3.065 2.774 3.541 . 0 0 "[ . 1 . 2]" 1
1245 1 63 SER HB3 1 87 VAL MG1 . . 3.650 2.881 2.719 2.972 . 0 0 "[ . 1 . 2]" 1
1246 1 63 SER HB3 1 87 VAL MG2 . . 4.060 3.985 3.848 4.060 0.000 1 0 "[ . 1 . 2]" 1
1247 1 63 SER HB3 1 90 ALA HA . . 4.900 4.834 4.731 4.903 0.003 17 0 "[ . 1 . 2]" 1
1248 1 63 SER HB3 1 90 ALA MB . . 3.570 2.959 2.864 3.094 . 0 0 "[ . 1 . 2]" 1
1249 1 63 SER HB3 1 91 THR H . . 5.500 5.419 5.153 5.505 0.005 17 0 "[ . 1 . 2]" 1
1250 1 64 ALA HA 1 66 ILE H . . 4.550 3.785 3.680 3.894 . 0 0 "[ . 1 . 2]" 1
1251 1 64 ALA MB 1 65 GLY H . . 4.380 3.470 3.401 3.501 . 0 0 "[ . 1 . 2]" 1
1252 1 64 ALA MB 1 65 GLY QA . . 4.810 3.817 3.780 3.851 . 0 0 "[ . 1 . 2]" 1
1253 1 64 ALA MB 1 66 ILE H . . 4.640 4.354 4.249 4.463 . 0 0 "[ . 1 . 2]" 1
1254 1 65 GLY H 1 66 ILE H . . 3.820 2.634 2.508 2.751 . 0 0 "[ . 1 . 2]" 1
1255 1 65 GLY QA 1 66 ILE MD . . 4.130 3.950 3.783 4.082 . 0 0 "[ . 1 . 2]" 1
1256 1 65 GLY HA2 1 66 ILE MD . . 4.720 4.606 4.436 4.738 0.018 7 0 "[ . 1 . 2]" 1
1257 1 65 GLY HA3 1 66 ILE MD . . 4.720 4.298 4.098 4.456 . 0 0 "[ . 1 . 2]" 1
1258 1 66 ILE H 1 66 ILE HB . . 3.130 2.653 2.607 2.752 . 0 0 "[ . 1 . 2]" 1
1259 1 66 ILE H 1 66 ILE MD . . 4.460 3.942 3.796 4.043 . 0 0 "[ . 1 . 2]" 1
1260 1 66 ILE H 1 66 ILE QG . . 3.710 3.246 3.021 3.349 . 0 0 "[ . 1 . 2]" 1
1261 1 66 ILE H 1 66 ILE MG . . 4.080 3.771 3.733 3.871 . 0 0 "[ . 1 . 2]" 1
1262 1 66 ILE H 1 67 SER H . . 4.400 4.205 4.141 4.291 . 0 0 "[ . 1 . 2]" 1
1263 1 66 ILE H 1 67 SER HA . . 4.900 4.834 4.802 4.891 . 0 0 "[ . 1 . 2]" 1
1264 1 66 ILE HA 1 66 ILE MD . . 3.660 1.970 1.932 2.023 . 0 0 "[ . 1 . 2]" 1
1265 1 66 ILE HA 1 66 ILE HG12 . . 4.060 2.938 2.863 3.017 . 0 0 "[ . 1 . 2]" 1
1266 1 66 ILE HA 1 66 ILE QG . . 3.540 2.817 2.769 2.875 . 0 0 "[ . 1 . 2]" 1
1267 1 66 ILE HA 1 66 ILE HG13 . . 4.060 3.623 3.581 3.729 . 0 0 "[ . 1 . 2]" 1
1268 1 66 ILE HA 1 66 ILE MG . . 3.490 2.518 2.432 2.552 . 0 0 "[ . 1 . 2]" 1
1269 1 66 ILE HA 1 67 SER H . . 2.730 2.143 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
1270 1 66 ILE HB 1 66 ILE MD . . 3.490 3.222 3.215 3.229 . 0 0 "[ . 1 . 2]" 1
1271 1 66 ILE HB 1 67 SER H . . 4.610 4.353 4.158 4.415 . 0 0 "[ . 1 . 2]" 1
1272 1 66 ILE HB 1 67 SER HA . . 5.040 4.951 4.769 5.016 . 0 0 "[ . 1 . 2]" 1
1273 1 66 ILE HB 1 68 LYS QG . . 5.480 4.910 4.307 5.365 . 0 0 "[ . 1 . 2]" 1
1274 1 66 ILE MD 1 67 SER H . . 4.200 3.282 3.092 3.476 . 0 0 "[ . 1 . 2]" 1
1275 1 66 ILE MD 1 68 LYS QE . . 4.970 4.409 3.780 4.962 . 0 0 "[ . 1 . 2]" 1
1276 1 66 ILE MD 1 68 LYS QG . . 4.540 4.025 3.670 4.432 . 0 0 "[ . 1 . 2]" 1
1277 1 66 ILE QG 1 67 SER H . . 5.170 4.578 4.484 4.625 . 0 0 "[ . 1 . 2]" 1
1278 1 66 ILE MG 1 67 SER H . . 3.700 2.800 2.558 2.934 . 0 0 "[ . 1 . 2]" 1
1279 1 66 ILE MG 1 67 SER HA . . 3.960 3.353 3.281 3.402 . 0 0 "[ . 1 . 2]" 1
1280 1 66 ILE MG 1 68 LYS H . . 4.500 3.470 3.270 3.742 . 0 0 "[ . 1 . 2]" 1
1281 1 66 ILE MG 1 68 LYS QE . . 3.810 3.367 2.467 3.786 . 0 0 "[ . 1 . 2]" 1
1282 1 66 ILE MG 1 68 LYS QG . . 3.530 2.365 2.059 2.625 . 0 0 "[ . 1 . 2]" 1
1283 1 67 SER H 1 67 SER HB2 . . 3.930 3.829 3.807 3.854 . 0 0 "[ . 1 . 2]" 1
1284 1 67 SER H 1 67 SER HB3 . . 3.890 3.090 2.950 3.195 . 0 0 "[ . 1 . 2]" 1
1285 1 67 SER HA 1 68 LYS H . . 2.810 2.151 2.138 2.167 . 0 0 "[ . 1 . 2]" 1
1286 1 67 SER HA 1 68 LYS QG . . 4.810 4.008 3.499 4.355 . 0 0 "[ . 1 . 2]" 1
1287 1 67 SER HB2 1 68 LYS H . . 3.790 3.682 3.502 3.788 . 0 0 "[ . 1 . 2]" 1
1288 1 68 LYS H 1 68 LYS HB2 . . 3.770 2.656 2.422 3.720 . 0 0 "[ . 1 . 2]" 1
1289 1 68 LYS H 1 68 LYS HB3 . . 3.770 3.726 3.591 3.792 0.022 17 0 "[ . 1 . 2]" 1
1290 1 68 LYS H 1 68 LYS QD . . 5.340 4.519 4.088 4.749 . 0 0 "[ . 1 . 2]" 1
1291 1 68 LYS H 1 68 LYS QG . . 4.010 2.874 2.176 3.225 . 0 0 "[ . 1 . 2]" 1
1292 1 68 LYS QB 1 68 LYS QD . . 3.050 2.089 2.013 2.199 . 0 0 "[ . 1 . 2]" 1
1293 1 68 LYS QB 1 68 LYS QE . . 4.070 3.041 2.263 3.676 . 0 0 "[ . 1 . 2]" 1
1294 1 68 LYS QB 1 69 GLU H . . 3.640 2.551 2.309 2.913 . 0 0 "[ . 1 . 2]" 1
1295 1 68 LYS QB 1 70 LEU QD . . 3.590 3.078 2.476 3.576 . 0 0 "[ . 1 . 2]" 1
1296 1 68 LYS HB2 1 69 GLU H . . 4.160 3.679 3.035 3.977 . 0 0 "[ . 1 . 2]" 1
1297 1 68 LYS HB3 1 69 GLU H . . 4.160 2.638 2.345 3.753 . 0 0 "[ . 1 . 2]" 1
1298 1 68 LYS QD 1 70 LEU QD . . 4.310 3.574 3.152 4.243 . 0 0 "[ . 1 . 2]" 1
1299 1 68 LYS QD 1 87 VAL MG2 . . 4.670 3.524 1.809 4.523 . 0 0 "[ . 1 . 2]" 1
1300 1 68 LYS QE 1 68 LYS QG . . 3.020 2.210 2.081 2.534 . 0 0 "[ . 1 . 2]" 1
1301 1 68 LYS QE 1 70 LEU QD . . 4.670 4.463 3.574 4.680 0.010 17 0 "[ . 1 . 2]" 1
1302 1 68 LYS QG 1 69 GLU H . . 4.500 4.028 3.664 4.403 . 0 0 "[ . 1 . 2]" 1
1303 1 69 GLU H 1 69 GLU QB . . 3.540 2.709 2.483 3.135 . 0 0 "[ . 1 . 2]" 1
1304 1 69 GLU H 1 69 GLU QG . . 4.690 3.411 2.154 4.249 . 0 0 "[ . 1 . 2]" 1
1305 1 69 GLU H 1 70 LEU QD . . 4.360 3.650 2.933 4.349 . 0 0 "[ . 1 . 2]" 1
1306 1 69 GLU QB 1 70 LEU H . . 3.670 3.407 2.796 3.716 0.046 17 0 "[ . 1 . 2]" 1
1307 1 69 GLU QB 1 70 LEU QD . . 5.440 4.439 3.894 4.957 . 0 0 "[ . 1 . 2]" 1
1308 1 69 GLU QG 1 70 LEU H . . 4.290 3.377 2.230 4.298 0.008 20 0 "[ . 1 . 2]" 1
1309 1 70 LEU H 1 70 LEU HB2 . . 3.630 2.563 2.340 2.791 . 0 0 "[ . 1 . 2]" 1
1310 1 70 LEU H 1 70 LEU MD1 . . 4.380 3.999 2.885 4.390 0.010 10 0 "[ . 1 . 2]" 1
1311 1 70 LEU H 1 70 LEU QD . . 3.710 3.168 2.423 3.669 . 0 0 "[ . 1 . 2]" 1
1312 1 70 LEU H 1 70 LEU MD2 . . 4.380 3.532 2.443 4.497 0.117 17 0 "[ . 1 . 2]" 1
1313 1 70 LEU H 1 70 LEU HG . . 4.840 3.775 2.846 4.749 . 0 0 "[ . 1 . 2]" 1
1314 1 70 LEU HA 1 70 LEU MD1 . . 4.060 3.024 1.918 3.948 . 0 0 "[ . 1 . 2]" 1
1315 1 70 LEU HA 1 70 LEU QD . . 2.930 2.106 1.870 2.865 . 0 0 "[ . 1 . 2]" 1
1316 1 70 LEU HA 1 70 LEU MD2 . . 4.060 2.396 2.007 3.546 . 0 0 "[ . 1 . 2]" 1
1317 1 70 LEU HA 1 70 LEU HG . . 3.860 3.248 2.243 3.744 . 0 0 "[ . 1 . 2]" 1
1318 1 70 LEU HA 1 71 LEU H . . 3.010 2.350 2.308 2.366 . 0 0 "[ . 1 . 2]" 1
1319 1 70 LEU HA 1 71 LEU QB . . 4.260 3.855 3.835 3.876 . 0 0 "[ . 1 . 2]" 1
1320 1 70 LEU HB2 1 71 LEU H . . 4.030 3.823 3.623 4.002 . 0 0 "[ . 1 . 2]" 1
1321 1 70 LEU HB3 1 71 LEU H . . 3.400 2.577 2.511 2.685 . 0 0 "[ . 1 . 2]" 1
1322 1 70 LEU HB3 1 71 LEU QB . . 4.820 4.744 4.708 4.782 . 0 0 "[ . 1 . 2]" 1
1323 1 70 LEU QD 1 71 LEU H . . 3.430 2.963 2.385 3.473 0.043 17 0 "[ . 1 . 2]" 1
1324 1 70 LEU QD 1 86 GLN HA . . 5.440 4.935 4.603 5.225 . 0 0 "[ . 1 . 2]" 1
1325 1 70 LEU QD 1 86 GLN HB2 . . 4.190 3.155 2.779 3.661 . 0 0 "[ . 1 . 2]" 1
1326 1 70 LEU QD 1 86 GLN HB3 . . 4.090 3.390 3.217 3.604 . 0 0 "[ . 1 . 2]" 1
1327 1 70 LEU QD 1 86 GLN HE22 . . 4.560 3.894 3.458 4.263 . 0 0 "[ . 1 . 2]" 1
1328 1 70 LEU QD 1 86 GLN QG . . 3.460 2.234 1.819 2.838 . 0 0 "[ . 1 . 2]" 1
1329 1 70 LEU MD1 1 71 LEU H . . 4.840 3.757 2.397 4.744 . 0 0 "[ . 1 . 2]" 1
1330 1 70 LEU MD1 1 86 GLN HE21 . . 4.860 3.606 3.019 4.439 . 0 0 "[ . 1 . 2]" 1
1331 1 70 LEU MD1 1 86 GLN HE22 . . 5.180 4.172 3.520 5.170 . 0 0 "[ . 1 . 2]" 1
1332 1 70 LEU MD2 1 71 LEU H . . 4.840 3.747 2.976 4.508 . 0 0 "[ . 1 . 2]" 1
1333 1 70 LEU MD2 1 86 GLN HE21 . . 4.860 4.477 2.647 4.838 . 0 0 "[ . 1 . 2]" 1
1334 1 70 LEU MD2 1 86 GLN HE22 . . 5.180 4.925 3.513 5.192 0.012 13 0 "[ . 1 . 2]" 1
1335 1 70 LEU HG 1 71 LEU H . . 4.970 4.662 3.540 4.917 . 0 0 "[ . 1 . 2]" 1
1336 1 71 LEU H 1 71 LEU QB . . 3.130 2.659 2.587 2.705 . 0 0 "[ . 1 . 2]" 1
1337 1 71 LEU HA 1 71 LEU QD . . 3.140 2.031 1.912 2.500 . 0 0 "[ . 1 . 2]" 1
1338 1 71 LEU HA 1 71 LEU HG . . 4.160 3.647 2.489 3.741 . 0 0 "[ . 1 . 2]" 1
1339 1 71 LEU HA 1 72 GLU H . . 3.090 2.153 2.139 2.241 . 0 0 "[ . 1 . 2]" 1
1340 1 71 LEU QB 1 72 GLU H . . 4.000 3.704 3.420 3.818 . 0 0 "[ . 1 . 2]" 1
1341 1 71 LEU QB 1 73 GLU QG . . 4.800 4.241 4.026 4.604 . 0 0 "[ . 1 . 2]" 1
1342 1 71 LEU QD 1 72 GLU H . . 3.280 2.085 1.867 3.270 . 0 0 "[ . 1 . 2]" 1
1343 1 71 LEU QD 1 72 GLU HA . . 5.350 3.511 3.332 4.714 . 0 0 "[ . 1 . 2]" 1
1344 1 71 LEU QD 1 73 GLU QG . . 3.840 2.777 2.432 3.519 . 0 0 "[ . 1 . 2]" 1
1345 1 71 LEU QD 1 107 PHE QE . . 3.810 3.563 3.309 3.809 . 0 0 "[ . 1 . 2]" 1
1346 1 71 LEU QD 1 107 PHE HZ . . 4.040 3.570 3.287 3.804 . 0 0 "[ . 1 . 2]" 1
1347 1 71 LEU MD1 1 72 GLU H . . 3.900 2.137 1.879 3.614 . 0 0 "[ . 1 . 2]" 1
1348 1 71 LEU MD2 1 72 GLU H . . 3.900 3.237 2.618 3.733 . 0 0 "[ . 1 . 2]" 1
1349 1 71 LEU HG 1 72 GLU H . . 4.960 4.562 2.310 4.877 . 0 0 "[ . 1 . 2]" 1
1350 1 71 LEU HG 1 73 GLU QG . . 5.150 4.804 4.604 5.001 . 0 0 "[ . 1 . 2]" 1
1351 1 72 GLU H 1 72 GLU HB2 . . 3.880 2.544 2.484 2.626 . 0 0 "[ . 1 . 2]" 1
1352 1 72 GLU H 1 72 GLU HB3 . . 3.890 2.822 2.747 2.855 . 0 0 "[ . 1 . 2]" 1
1353 1 72 GLU H 1 72 GLU HG2 . . 4.890 4.651 4.438 4.782 . 0 0 "[ . 1 . 2]" 1
1354 1 72 GLU H 1 72 GLU QG . . 4.290 4.101 4.005 4.187 . 0 0 "[ . 1 . 2]" 1
1355 1 72 GLU H 1 72 GLU HG3 . . 4.890 4.567 4.426 4.732 . 0 0 "[ . 1 . 2]" 1
1356 1 72 GLU H 1 83 ILE MD . . 5.500 4.940 4.374 5.287 . 0 0 "[ . 1 . 2]" 1
1357 1 72 GLU HA 1 73 GLU H . . 2.940 2.344 2.265 2.405 . 0 0 "[ . 1 . 2]" 1
1358 1 72 GLU HA 1 73 GLU HB2 . . 4.820 4.616 4.554 4.765 . 0 0 "[ . 1 . 2]" 1
1359 1 72 GLU HB2 1 73 GLU H . . 4.520 4.053 3.971 4.161 . 0 0 "[ . 1 . 2]" 1
1360 1 72 GLU HB2 1 74 VAL MG1 . . 5.500 5.343 5.094 5.502 0.002 19 0 "[ . 1 . 2]" 1
1361 1 72 GLU HB2 1 74 VAL MG2 . . 5.500 5.408 5.017 5.504 0.004 19 0 "[ . 1 . 2]" 1
1362 1 72 GLU HB2 1 81 ALA MB . . 5.490 5.082 4.494 5.460 . 0 0 "[ . 1 . 2]" 1
1363 1 72 GLU HB2 1 83 ILE MD . . 4.170 3.439 2.555 3.873 . 0 0 "[ . 1 . 2]" 1
1364 1 72 GLU HB2 1 83 ILE HG12 . . 4.120 4.013 3.842 4.123 0.003 13 0 "[ . 1 . 2]" 1
1365 1 72 GLU HB3 1 73 GLU H . . 3.600 3.391 3.247 3.596 . 0 0 "[ . 1 . 2]" 1
1366 1 72 GLU HB3 1 74 VAL MG1 . . 5.280 4.167 3.907 4.438 . 0 0 "[ . 1 . 2]" 1
1367 1 72 GLU HB3 1 74 VAL MG2 . . 4.500 3.905 3.517 4.042 . 0 0 "[ . 1 . 2]" 1
1368 1 72 GLU QG 1 73 GLU H . . 3.560 2.102 1.893 2.660 . 0 0 "[ . 1 . 2]" 1
1369 1 72 GLU QG 1 74 VAL MG1 . . 4.070 3.328 3.062 3.782 . 0 0 "[ . 1 . 2]" 1
1370 1 72 GLU QG 1 74 VAL MG2 . . 4.360 4.096 3.721 4.342 . 0 0 "[ . 1 . 2]" 1
1371 1 72 GLU QG 1 81 ALA MB . . 4.450 3.678 2.934 4.396 . 0 0 "[ . 1 . 2]" 1
1372 1 72 GLU QG 1 83 ILE MD . . 4.490 3.964 2.923 4.444 . 0 0 "[ . 1 . 2]" 1
1373 1 72 GLU QG 1 83 ILE MG . . 5.340 4.015 3.515 4.571 . 0 0 "[ . 1 . 2]" 1
1374 1 73 GLU H 1 73 GLU HB2 . . 3.260 2.751 2.682 2.819 . 0 0 "[ . 1 . 2]" 1
1375 1 73 GLU H 1 73 GLU HB3 . . 3.960 3.829 3.790 3.863 . 0 0 "[ . 1 . 2]" 1
1376 1 73 GLU H 1 73 GLU QG . . 3.740 2.902 2.534 3.699 . 0 0 "[ . 1 . 2]" 1
1377 1 73 GLU H 1 74 VAL MG2 . . 4.710 4.386 4.126 4.528 . 0 0 "[ . 1 . 2]" 1
1378 1 73 GLU HA 1 73 GLU HG2 . . 4.190 2.806 2.495 3.744 . 0 0 "[ . 1 . 2]" 1
1379 1 73 GLU HA 1 73 GLU QG . . 3.580 2.539 2.435 2.791 . 0 0 "[ . 1 . 2]" 1
1380 1 73 GLU HA 1 73 GLU HG3 . . 4.190 3.120 2.554 3.838 . 0 0 "[ . 1 . 2]" 1
1381 1 73 GLU HA 1 74 VAL H . . 2.950 2.150 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
1382 1 73 GLU HA 1 74 VAL MG1 . . 4.670 4.327 4.211 4.431 . 0 0 "[ . 1 . 2]" 1
1383 1 73 GLU HA 1 74 VAL MG2 . . 4.170 3.302 3.177 3.443 . 0 0 "[ . 1 . 2]" 1
1384 1 73 GLU HB2 1 74 VAL H . . 4.410 4.171 3.990 4.335 . 0 0 "[ . 1 . 2]" 1
1385 1 73 GLU HB2 1 74 VAL MG1 . . 5.500 4.983 4.793 5.214 . 0 0 "[ . 1 . 2]" 1
1386 1 73 GLU HB2 1 74 VAL MG2 . . 5.500 5.250 5.104 5.396 . 0 0 "[ . 1 . 2]" 1
1387 1 73 GLU HB3 1 74 VAL H . . 3.810 3.348 3.101 3.632 . 0 0 "[ . 1 . 2]" 1
1388 1 74 VAL H 1 74 VAL HB . . 3.780 3.702 3.642 3.783 0.003 16 0 "[ . 1 . 2]" 1
1389 1 74 VAL H 1 74 VAL MG1 . . 3.730 3.431 3.341 3.539 . 0 0 "[ . 1 . 2]" 1
1390 1 74 VAL H 1 74 VAL MG2 . . 3.270 2.097 1.959 2.247 . 0 0 "[ . 1 . 2]" 1
1391 1 74 VAL HB 1 75 GLY H . . 3.540 2.830 2.626 3.149 . 0 0 "[ . 1 . 2]" 1
1392 1 74 VAL HB 1 75 GLY QA . . 4.660 4.119 4.014 4.253 . 0 0 "[ . 1 . 2]" 1
1393 1 74 VAL HB 1 81 ALA MB . . 4.600 4.377 4.230 4.558 . 0 0 "[ . 1 . 2]" 1
1394 1 74 VAL MG1 1 75 GLY H . . 3.940 3.376 3.199 3.545 . 0 0 "[ . 1 . 2]" 1
1395 1 74 VAL MG1 1 75 GLY QA . . 5.340 4.787 4.715 4.892 . 0 0 "[ . 1 . 2]" 1
1396 1 74 VAL MG1 1 78 GLY QA . . 4.030 3.417 3.006 3.791 . 0 0 "[ . 1 . 2]" 1
1397 1 74 VAL MG1 1 81 ALA MB . . 3.430 2.279 1.964 2.705 . 0 0 "[ . 1 . 2]" 1
1398 1 74 VAL MG2 1 75 GLY H . . 4.390 4.032 3.891 4.188 . 0 0 "[ . 1 . 2]" 1
1399 1 74 VAL MG2 1 81 ALA MB . . 3.520 3.253 3.044 3.502 . 0 0 "[ . 1 . 2]" 1
1400 1 74 VAL MG2 1 96 ILE MG . . 4.350 3.606 3.265 3.916 . 0 0 "[ . 1 . 2]" 1
1401 1 75 GLY H 1 76 GLN H . . 4.560 4.427 4.276 4.512 . 0 0 "[ . 1 . 2]" 1
1402 1 75 GLY QA 1 76 GLN H . . 2.900 2.267 2.207 2.284 . 0 0 "[ . 1 . 2]" 1
1403 1 75 GLY HA2 1 76 GLN H . . 3.350 2.670 2.540 2.880 . 0 0 "[ . 1 . 2]" 1
1404 1 75 GLY HA3 1 76 GLN H . . 3.350 2.465 2.291 2.586 . 0 0 "[ . 1 . 2]" 1
1405 1 76 GLN H 1 76 GLN HB2 . . 3.750 3.597 3.562 3.678 . 0 0 "[ . 1 . 2]" 1
1406 1 76 GLN H 1 76 GLN QB . . 3.260 2.578 2.409 2.874 . 0 0 "[ . 1 . 2]" 1
1407 1 76 GLN H 1 76 GLN HB3 . . 3.750 2.644 2.448 3.033 . 0 0 "[ . 1 . 2]" 1
1408 1 76 GLN H 1 76 GLN HG2 . . 4.220 2.377 1.916 3.467 . 0 0 "[ . 1 . 2]" 1
1409 1 76 GLN H 1 76 GLN QG . . 3.450 2.086 1.903 2.995 . 0 0 "[ . 1 . 2]" 1
1410 1 76 GLN H 1 76 GLN HG3 . . 4.220 2.989 2.015 3.901 . 0 0 "[ . 1 . 2]" 1
1411 1 76 GLN H 1 77 ASN H . . 3.930 2.626 2.382 2.923 . 0 0 "[ . 1 . 2]" 1
1412 1 76 GLN HA 1 76 GLN HG2 . . 4.180 3.798 3.568 4.242 0.062 14 0 "[ . 1 . 2]" 1
1413 1 76 GLN HA 1 76 GLN QG . . 3.650 3.358 3.299 3.462 . 0 0 "[ . 1 . 2]" 1
1414 1 76 GLN HA 1 76 GLN HG3 . . 4.180 3.798 3.609 4.224 0.044 19 0 "[ . 1 . 2]" 1
1415 1 78 GLY HA2 1 80 ARG H . . 4.510 3.448 2.995 3.911 . 0 0 "[ . 1 . 2]" 1
1416 1 78 GLY HA3 1 80 ARG H . . 4.510 3.857 3.095 4.511 0.001 15 0 "[ . 1 . 2]" 1
1417 1 79 SER H 1 80 ARG H . . 4.030 2.700 1.929 3.058 . 0 0 "[ . 1 . 2]" 1
1418 1 79 SER HA 1 80 ARG QB . . 5.130 4.887 4.499 5.086 . 0 0 "[ . 1 . 2]" 1
1419 1 80 ARG H 1 80 ARG QB . . 3.560 2.641 2.358 3.088 . 0 0 "[ . 1 . 2]" 1
1420 1 80 ARG H 1 80 ARG HG2 . . 4.760 4.222 2.496 4.688 . 0 0 "[ . 1 . 2]" 1
1421 1 80 ARG H 1 80 ARG HG3 . . 4.760 4.549 3.531 4.810 0.050 15 0 "[ . 1 . 2]" 1
1422 1 80 ARG H 1 81 ALA H . . 4.520 4.366 4.056 4.507 . 0 0 "[ . 1 . 2]" 1
1423 1 80 ARG QB 1 80 ARG QD . . 3.230 2.243 2.070 2.468 . 0 0 "[ . 1 . 2]" 1
1424 1 80 ARG QB 1 81 ALA H . . 3.880 3.383 2.113 3.772 . 0 0 "[ . 1 . 2]" 1
1425 1 80 ARG QD 1 81 ALA H . . 4.570 4.301 2.914 4.569 . 0 0 "[ . 1 . 2]" 1
1426 1 80 ARG QG 1 81 ALA H . . 3.580 2.582 2.221 2.989 . 0 0 "[ . 1 . 2]" 1
1427 1 80 ARG HG2 1 81 ALA H . . 4.450 3.000 2.335 4.192 . 0 0 "[ . 1 . 2]" 1
1428 1 80 ARG HG3 1 81 ALA H . . 4.450 3.230 2.407 4.327 . 0 0 "[ . 1 . 2]" 1
1429 1 81 ALA H 1 81 ALA MB . . 3.640 2.510 2.281 2.729 . 0 0 "[ . 1 . 2]" 1
1430 1 81 ALA H 1 96 ILE MD . . 5.500 5.204 4.781 5.478 . 0 0 "[ . 1 . 2]" 1
1431 1 81 ALA HA 1 82 ARG H . . 2.970 2.268 2.187 2.381 . 0 0 "[ . 1 . 2]" 1
1432 1 81 ALA MB 1 82 ARG H . . 3.180 2.794 2.447 3.018 . 0 0 "[ . 1 . 2]" 1
1433 1 81 ALA MB 1 82 ARG HA . . 4.610 3.915 3.845 4.009 . 0 0 "[ . 1 . 2]" 1
1434 1 81 ALA MB 1 83 ILE MD . . 4.200 4.016 3.834 4.167 . 0 0 "[ . 1 . 2]" 1
1435 1 81 ALA MB 1 83 ILE HG12 . . 5.270 4.043 3.819 4.190 . 0 0 "[ . 1 . 2]" 1
1436 1 81 ALA MB 1 96 ILE MD . . 4.250 3.844 3.586 4.181 . 0 0 "[ . 1 . 2]" 1
1437 1 81 ALA MB 1 96 ILE MG . . 5.500 4.762 4.567 5.023 . 0 0 "[ . 1 . 2]" 1
1438 1 82 ARG H 1 82 ARG HB2 . . 3.920 3.170 2.976 3.364 . 0 0 "[ . 1 . 2]" 1
1439 1 82 ARG H 1 82 ARG HB3 . . 3.420 2.778 2.550 3.025 . 0 0 "[ . 1 . 2]" 1
1440 1 82 ARG H 1 82 ARG QD . . 5.340 4.888 3.884 5.295 . 0 0 "[ . 1 . 2]" 1
1441 1 82 ARG H 1 82 ARG QG . . 4.480 4.121 3.978 4.269 . 0 0 "[ . 1 . 2]" 1
1442 1 82 ARG HA 1 82 ARG QG . . 3.570 2.449 2.216 2.625 . 0 0 "[ . 1 . 2]" 1
1443 1 82 ARG HA 1 83 ILE H . . 3.020 2.221 2.164 2.288 . 0 0 "[ . 1 . 2]" 1
1444 1 82 ARG HA 1 83 ILE HG12 . . 4.730 4.251 3.959 4.560 . 0 0 "[ . 1 . 2]" 1
1445 1 82 ARG HB2 1 82 ARG QD . . 3.640 2.618 2.105 3.248 . 0 0 "[ . 1 . 2]" 1
1446 1 82 ARG HB2 1 83 ILE H . . 4.450 4.086 3.936 4.199 . 0 0 "[ . 1 . 2]" 1
1447 1 82 ARG HB3 1 82 ARG QD . . 3.380 2.534 2.050 2.981 . 0 0 "[ . 1 . 2]" 1
1448 1 82 ARG HB3 1 83 ILE H . . 4.520 3.946 3.670 4.186 . 0 0 "[ . 1 . 2]" 1
1449 1 82 ARG QG 1 83 ILE H . . 3.780 2.388 1.960 2.691 . 0 0 "[ . 1 . 2]" 1
1450 1 83 ILE H 1 83 ILE HB . . 3.560 2.960 2.747 3.102 . 0 0 "[ . 1 . 2]" 1
1451 1 83 ILE H 1 83 ILE MD . . 4.220 3.970 3.789 4.223 0.003 3 0 "[ . 1 . 2]" 1
1452 1 83 ILE H 1 83 ILE HG12 . . 3.660 3.510 3.143 3.660 0.000 19 0 "[ . 1 . 2]" 1
1453 1 83 ILE H 1 83 ILE HG13 . . 4.050 2.463 2.243 2.777 . 0 0 "[ . 1 . 2]" 1
1454 1 83 ILE HA 1 83 ILE MD . . 4.120 3.910 3.787 3.990 . 0 0 "[ . 1 . 2]" 1
1455 1 83 ILE HA 1 83 ILE HG13 . . 4.220 3.332 3.239 3.510 . 0 0 "[ . 1 . 2]" 1
1456 1 83 ILE HA 1 83 ILE MG . . 3.720 2.166 2.027 2.320 . 0 0 "[ . 1 . 2]" 1
1457 1 83 ILE HA 1 84 SER H . . 2.860 2.243 2.171 2.453 . 0 0 "[ . 1 . 2]" 1
1458 1 83 ILE HB 1 83 ILE MD . . 3.440 2.420 2.308 2.576 . 0 0 "[ . 1 . 2]" 1
1459 1 83 ILE HB 1 84 SER H . . 3.840 3.649 3.147 3.835 . 0 0 "[ . 1 . 2]" 1
1460 1 83 ILE MD 1 84 SER H . . 5.160 4.926 4.506 5.148 . 0 0 "[ . 1 . 2]" 1
1461 1 83 ILE MD 1 94 VAL MG1 . . 4.550 3.559 3.336 3.895 . 0 0 "[ . 1 . 2]" 1
1462 1 83 ILE HG12 1 83 ILE MG . . 3.380 2.381 2.207 2.512 . 0 0 "[ . 1 . 2]" 1
1463 1 83 ILE MG 1 84 SER H . . 3.570 2.225 1.835 2.571 . 0 0 "[ . 1 . 2]" 1
1464 1 83 ILE MG 1 86 GLN HE21 . . 4.720 3.553 2.788 4.387 . 0 0 "[ . 1 . 2]" 1
1465 1 84 SER H 1 84 SER HB2 . . 3.750 2.483 2.239 2.780 . 0 0 "[ . 1 . 2]" 1
1466 1 84 SER H 1 84 SER QB . . 3.130 2.381 2.214 2.560 . 0 0 "[ . 1 . 2]" 1
1467 1 84 SER H 1 84 SER HB3 . . 3.750 3.401 2.431 3.722 . 0 0 "[ . 1 . 2]" 1
1468 1 84 SER H 1 84 SER HG . . 5.040 3.483 2.080 4.511 . 0 0 "[ . 1 . 2]" 1
1469 1 84 SER H 1 85 VAL H . . 5.500 4.310 4.173 4.448 . 0 0 "[ . 1 . 2]" 1
1470 1 84 SER H 1 86 GLN HE21 . . 4.880 3.976 3.618 4.621 . 0 0 "[ . 1 . 2]" 1
1471 1 84 SER HA 1 85 VAL H . . 3.230 2.153 2.138 2.178 . 0 0 "[ . 1 . 2]" 1
1472 1 84 SER HA 1 85 VAL HB . . 4.830 4.568 4.477 4.651 . 0 0 "[ . 1 . 2]" 1
1473 1 84 SER HA 1 85 VAL MG2 . . 3.830 3.730 3.618 3.843 0.013 13 0 "[ . 1 . 2]" 1
1474 1 84 SER QB 1 85 VAL H . . 4.240 3.601 3.338 3.941 . 0 0 "[ . 1 . 2]" 1
1475 1 84 SER QB 1 86 GLN HE21 . . 4.020 3.408 2.990 4.029 0.009 13 0 "[ . 1 . 2]" 1
1476 1 84 SER QB 1 86 GLN HE22 . . 4.180 3.704 3.291 4.138 . 0 0 "[ . 1 . 2]" 1
1477 1 85 VAL H 1 85 VAL HB . . 3.380 2.696 2.566 2.775 . 0 0 "[ . 1 . 2]" 1
1478 1 85 VAL H 1 85 VAL MG1 . . 4.170 3.780 3.762 3.794 . 0 0 "[ . 1 . 2]" 1
1479 1 85 VAL H 1 85 VAL MG2 . . 3.350 1.964 1.874 2.054 . 0 0 "[ . 1 . 2]" 1
1480 1 85 VAL HA 1 85 VAL MG1 . . 3.430 2.344 2.247 2.437 . 0 0 "[ . 1 . 2]" 1
1481 1 85 VAL HA 1 85 VAL MG2 . . 3.250 2.353 2.303 2.401 . 0 0 "[ . 1 . 2]" 1
1482 1 85 VAL HA 1 86 GLN H . . 3.340 2.168 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
1483 1 85 VAL HA 1 87 VAL H . . 4.080 3.636 3.456 4.113 0.033 13 0 "[ . 1 . 2]" 1
1484 1 85 VAL HB 1 88 HIS HE1 . . 4.580 3.514 2.921 3.882 . 0 0 "[ . 1 . 2]" 1
1485 1 85 VAL MG1 1 86 GLN H . . 3.830 2.985 2.626 3.220 . 0 0 "[ . 1 . 2]" 1
1486 1 85 VAL MG1 1 86 GLN HA . . 4.630 4.095 3.791 4.282 . 0 0 "[ . 1 . 2]" 1
1487 1 85 VAL MG1 1 87 VAL H . . 3.260 2.603 2.267 3.012 . 0 0 "[ . 1 . 2]" 1
1488 1 85 VAL MG1 1 87 VAL HA . . 4.580 3.864 3.679 3.964 . 0 0 "[ . 1 . 2]" 1
1489 1 85 VAL MG1 1 87 VAL HB . . 4.730 4.480 4.307 4.661 . 0 0 "[ . 1 . 2]" 1
1490 1 85 VAL MG1 1 87 VAL MG2 . . 5.070 4.747 4.586 4.838 . 0 0 "[ . 1 . 2]" 1
1491 1 85 VAL MG1 1 88 HIS H . . 4.620 4.040 3.829 4.192 . 0 0 "[ . 1 . 2]" 1
1492 1 85 VAL MG1 1 88 HIS HA . . 4.200 3.095 2.928 3.236 . 0 0 "[ . 1 . 2]" 1
1493 1 85 VAL MG1 1 88 HIS HD2 . . 3.800 3.038 2.496 3.353 . 0 0 "[ . 1 . 2]" 1
1494 1 85 VAL MG1 1 88 HIS HE1 . . 4.010 2.936 2.572 3.354 . 0 0 "[ . 1 . 2]" 1
1495 1 85 VAL MG1 1 115 ILE HA . . 5.210 4.964 4.716 5.108 . 0 0 "[ . 1 . 2]" 1
1496 1 85 VAL MG1 1 115 ILE HB . . 4.680 4.315 4.121 4.493 . 0 0 "[ . 1 . 2]" 1
1497 1 85 VAL MG1 1 115 ILE MD . . 3.800 3.515 3.071 3.729 . 0 0 "[ . 1 . 2]" 1
1498 1 85 VAL MG1 1 115 ILE HG13 . . 4.580 4.058 3.770 4.302 . 0 0 "[ . 1 . 2]" 1
1499 1 85 VAL MG1 1 115 ILE MG . . 3.070 2.159 1.968 2.311 . 0 0 "[ . 1 . 2]" 1
1500 1 85 VAL MG2 1 86 GLN H . . 4.260 4.152 4.024 4.239 . 0 0 "[ . 1 . 2]" 1
1501 1 85 VAL MG2 1 87 VAL H . . 5.090 4.831 4.565 5.095 0.005 13 0 "[ . 1 . 2]" 1
1502 1 85 VAL MG2 1 88 HIS HD2 . . 4.600 4.202 3.688 4.576 . 0 0 "[ . 1 . 2]" 1
1503 1 85 VAL MG2 1 88 HIS HE1 . . 4.690 4.426 4.044 4.675 . 0 0 "[ . 1 . 2]" 1
1504 1 86 GLN H 1 86 GLN HE21 . . 4.870 4.713 4.357 4.871 0.001 20 0 "[ . 1 . 2]" 1
1505 1 86 GLN H 1 86 GLN QG . . 3.970 2.375 2.014 3.477 . 0 0 "[ . 1 . 2]" 1
1506 1 86 GLN H 1 87 VAL H . . 3.320 2.368 2.161 2.729 . 0 0 "[ . 1 . 2]" 1
1507 1 86 GLN H 1 87 VAL HB . . 5.500 4.750 4.505 5.155 . 0 0 "[ . 1 . 2]" 1
1508 1 86 GLN HA 1 86 GLN HE21 . . 4.680 4.429 4.093 4.629 . 0 0 "[ . 1 . 2]" 1
1509 1 86 GLN HA 1 86 GLN HE22 . . 4.650 4.552 4.427 4.652 0.002 2 0 "[ . 1 . 2]" 1
1510 1 86 GLN HA 1 86 GLN HG2 . . 3.910 2.915 2.687 3.654 . 0 0 "[ . 1 . 2]" 1
1511 1 86 GLN HA 1 86 GLN QG . . 3.420 2.777 2.427 2.942 . 0 0 "[ . 1 . 2]" 1
1512 1 86 GLN HA 1 86 GLN HG3 . . 3.910 3.745 2.464 3.884 . 0 0 "[ . 1 . 2]" 1
1513 1 86 GLN HA 1 87 VAL MG2 . . 4.520 4.369 4.231 4.489 . 0 0 "[ . 1 . 2]" 1
1514 1 86 GLN HB2 1 87 VAL H . . 3.850 2.776 2.449 2.991 . 0 0 "[ . 1 . 2]" 1
1515 1 86 GLN HB2 1 87 VAL MG1 . . 5.350 5.243 5.128 5.388 0.038 13 0 "[ . 1 . 2]" 1
1516 1 86 GLN HB2 1 87 VAL MG2 . . 4.530 3.236 3.084 3.774 . 0 0 "[ . 1 . 2]" 1
1517 1 86 GLN HB3 1 86 GLN HE21 . . 4.750 4.382 4.338 4.569 . 0 0 "[ . 1 . 2]" 1
1518 1 86 GLN HB3 1 87 VAL H . . 4.160 3.805 3.066 4.091 . 0 0 "[ . 1 . 2]" 1
1519 1 86 GLN HB3 1 87 VAL MG2 . . 3.940 3.298 2.952 3.534 . 0 0 "[ . 1 . 2]" 1
1520 1 86 GLN QG 1 87 VAL H . . 4.260 4.032 3.822 4.317 0.057 13 0 "[ . 1 . 2]" 1
1521 1 87 VAL H 1 87 VAL HB . . 3.820 2.645 2.515 2.771 . 0 0 "[ . 1 . 2]" 1
1522 1 87 VAL H 1 87 VAL MG1 . . 3.830 3.753 3.700 3.794 . 0 0 "[ . 1 . 2]" 1
1523 1 87 VAL H 1 87 VAL MG2 . . 3.660 3.201 3.106 3.336 . 0 0 "[ . 1 . 2]" 1
1524 1 87 VAL H 1 88 HIS H . . 4.440 4.382 4.306 4.434 . 0 0 "[ . 1 . 2]" 1
1525 1 87 VAL H 1 115 ILE HG13 . . 5.500 5.060 4.866 5.255 . 0 0 "[ . 1 . 2]" 1
1526 1 87 VAL HA 1 87 VAL MG1 . . 3.250 2.533 2.481 2.560 . 0 0 "[ . 1 . 2]" 1
1527 1 87 VAL HA 1 87 VAL MG2 . . 3.370 2.198 2.142 2.263 . 0 0 "[ . 1 . 2]" 1
1528 1 87 VAL HA 1 88 HIS H . . 2.820 2.216 2.177 2.255 . 0 0 "[ . 1 . 2]" 1
1529 1 87 VAL HA 1 88 HIS HA . . 4.650 4.386 4.377 4.396 . 0 0 "[ . 1 . 2]" 1
1530 1 87 VAL HA 1 88 HIS HB2 . . 4.460 4.315 4.218 4.465 0.005 11 0 "[ . 1 . 2]" 1
1531 1 87 VAL HA 1 90 ALA MB . . 4.850 4.804 4.731 4.852 0.002 17 0 "[ . 1 . 2]" 1
1532 1 87 VAL HB 1 88 HIS H . . 4.400 4.122 4.029 4.231 . 0 0 "[ . 1 . 2]" 1
1533 1 87 VAL HB 1 90 ALA MB . . 3.390 3.286 3.190 3.416 0.026 17 0 "[ . 1 . 2]" 1
1534 1 87 VAL MG1 1 88 HIS H . . 3.540 2.244 2.086 2.451 . 0 0 "[ . 1 . 2]" 1
1535 1 87 VAL MG1 1 90 ALA MB . . 3.080 1.840 1.794 1.907 . 0 0 "[ . 1 . 2]" 1
1536 1 87 VAL MG2 1 88 HIS H . . 3.630 3.619 3.570 3.659 0.029 10 0 "[ . 1 . 2]" 1
1537 1 87 VAL MG2 1 90 ALA MB . . 4.000 3.808 3.716 3.889 . 0 0 "[ . 1 . 2]" 1
1538 1 88 HIS H 1 88 HIS HB2 . . 3.290 2.392 2.329 2.463 . 0 0 "[ . 1 . 2]" 1
1539 1 88 HIS H 1 88 HIS HB3 . . 3.680 3.603 3.540 3.673 . 0 0 "[ . 1 . 2]" 1
1540 1 88 HIS H 1 88 HIS HD2 . . 5.320 5.225 5.002 5.319 . 0 0 "[ . 1 . 2]" 1
1541 1 88 HIS H 1 90 ALA MB . . 4.660 4.290 4.154 4.498 . 0 0 "[ . 1 . 2]" 1
1542 1 88 HIS H 1 115 ILE MG . . 4.680 4.548 4.336 4.659 . 0 0 "[ . 1 . 2]" 1
1543 1 88 HIS H 1 117 ALA HA . . 5.500 5.496 5.479 5.511 0.011 2 0 "[ . 1 . 2]" 1
1544 1 88 HIS HA 1 88 HIS HD2 . . 4.320 2.976 2.619 3.469 . 0 0 "[ . 1 . 2]" 1
1545 1 88 HIS HA 1 89 ASN H . . 3.230 2.304 2.256 2.358 . 0 0 "[ . 1 . 2]" 1
1546 1 88 HIS HA 1 90 ALA H . . 4.010 3.577 3.356 3.829 . 0 0 "[ . 1 . 2]" 1
1547 1 88 HIS HA 1 90 ALA MB . . 4.490 4.255 4.176 4.354 . 0 0 "[ . 1 . 2]" 1
1548 1 88 HIS HA 1 115 ILE HB . . 4.280 3.029 2.817 3.399 . 0 0 "[ . 1 . 2]" 1
1549 1 88 HIS HA 1 115 ILE MD . . 5.130 4.750 4.540 5.049 . 0 0 "[ . 1 . 2]" 1
1550 1 88 HIS HA 1 115 ILE MG . . 3.280 2.076 1.936 2.212 . 0 0 "[ . 1 . 2]" 1
1551 1 88 HIS HA 1 117 ALA HA . . 4.330 4.090 3.855 4.240 . 0 0 "[ . 1 . 2]" 1
1552 1 88 HIS HB2 1 89 ASN H . . 4.090 4.002 3.826 4.091 0.001 7 0 "[ . 1 . 2]" 1
1553 1 88 HIS HB2 1 89 ASN HB3 . . 4.950 4.748 4.519 4.912 . 0 0 "[ . 1 . 2]" 1
1554 1 88 HIS HB2 1 115 ILE MG . . 4.730 4.508 4.241 4.730 0.000 7 0 "[ . 1 . 2]" 1
1555 1 88 HIS HB2 1 117 ALA HA . . 3.870 3.604 3.411 3.732 . 0 0 "[ . 1 . 2]" 1
1556 1 88 HIS HB2 1 117 ALA MB . . 4.980 4.504 4.200 4.641 . 0 0 "[ . 1 . 2]" 1
1557 1 88 HIS HB3 1 89 ASN H . . 3.610 2.737 2.550 2.869 . 0 0 "[ . 1 . 2]" 1
1558 1 88 HIS HB3 1 89 ASN HA . . 4.710 4.453 4.356 4.546 . 0 0 "[ . 1 . 2]" 1
1559 1 88 HIS HB3 1 90 ALA H . . 5.320 5.098 4.872 5.321 0.001 11 0 "[ . 1 . 2]" 1
1560 1 88 HIS HB3 1 115 ILE MG . . 4.160 3.751 3.449 4.049 . 0 0 "[ . 1 . 2]" 1
1561 1 88 HIS HB3 1 117 ALA HA . . 3.600 2.001 1.994 2.023 . 0 0 "[ . 1 . 2]" 1
1562 1 88 HIS HB3 1 117 ALA MB . . 4.030 3.466 3.242 3.635 . 0 0 "[ . 1 . 2]" 1
1563 1 88 HIS HB3 1 118 HIS H . . 5.320 3.635 2.510 5.332 0.012 11 0 "[ . 1 . 2]" 1
1564 1 88 HIS HD2 1 115 ILE MG . . 3.430 2.466 1.996 3.355 . 0 0 "[ . 1 . 2]" 1
1565 1 88 HIS HD2 1 117 ALA HA . . 4.750 3.509 2.904 4.078 . 0 0 "[ . 1 . 2]" 1
1566 1 88 HIS HE1 1 115 ILE MG . . 5.500 5.217 4.813 5.497 . 0 0 "[ . 1 . 2]" 1
1567 1 89 ASN H 1 89 ASN HB2 . . 4.050 3.119 3.073 3.182 . 0 0 "[ . 1 . 2]" 1
1568 1 89 ASN H 1 89 ASN HB3 . . 4.140 3.694 3.623 3.770 . 0 0 "[ . 1 . 2]" 1
1569 1 89 ASN H 1 90 ALA MB . . 4.420 4.377 4.315 4.421 0.001 9 0 "[ . 1 . 2]" 1
1570 1 89 ASN H 1 115 ILE H . . 5.100 4.723 4.587 4.956 . 0 0 "[ . 1 . 2]" 1
1571 1 89 ASN H 1 115 ILE HB . . 4.070 2.645 2.469 2.824 . 0 0 "[ . 1 . 2]" 1
1572 1 89 ASN H 1 115 ILE MD . . 5.390 5.148 5.056 5.272 . 0 0 "[ . 1 . 2]" 1
1573 1 89 ASN H 1 115 ILE MG . . 3.800 2.677 2.524 2.920 . 0 0 "[ . 1 . 2]" 1
1574 1 89 ASN H 1 117 ALA H . . 4.560 3.801 3.590 4.340 . 0 0 "[ . 1 . 2]" 1
1575 1 89 ASN H 1 117 ALA HA . . 3.970 3.039 2.880 3.351 . 0 0 "[ . 1 . 2]" 1
1576 1 89 ASN H 1 117 ALA MB . . 4.430 4.056 3.815 4.331 . 0 0 "[ . 1 . 2]" 1
1577 1 89 ASN HA 1 90 ALA H . . 3.010 2.796 2.677 2.905 . 0 0 "[ . 1 . 2]" 1
1578 1 89 ASN HA 1 90 ALA MB . . 4.600 4.536 4.455 4.600 . 0 0 "[ . 1 . 2]" 1
1579 1 89 ASN HA 1 117 ALA HA . . 4.160 4.003 3.816 4.158 . 0 0 "[ . 1 . 2]" 1
1580 1 89 ASN HA 1 117 ALA MB . . 5.340 3.858 3.676 4.100 . 0 0 "[ . 1 . 2]" 1
1581 1 89 ASN HB2 1 90 ALA H . . 4.730 4.594 4.535 4.638 . 0 0 "[ . 1 . 2]" 1
1582 1 89 ASN HB2 1 115 ILE MG . . 5.500 5.395 5.255 5.493 . 0 0 "[ . 1 . 2]" 1
1583 1 89 ASN HB2 1 117 ALA HA . . 3.860 2.919 2.822 3.172 . 0 0 "[ . 1 . 2]" 1
1584 1 89 ASN HB2 1 117 ALA MB . . 3.350 2.290 2.054 2.576 . 0 0 "[ . 1 . 2]" 1
1585 1 89 ASN HB3 1 89 ASN QD . . 3.310 3.078 2.644 3.321 0.011 10 0 "[ . 1 . 2]" 1
1586 1 89 ASN HB3 1 90 ALA H . . 4.470 4.212 4.106 4.310 . 0 0 "[ . 1 . 2]" 1
1587 1 89 ASN HB3 1 90 ALA MB . . 4.670 4.270 4.214 4.344 . 0 0 "[ . 1 . 2]" 1
1588 1 89 ASN HB3 1 117 ALA HA . . 4.550 4.404 4.239 4.532 . 0 0 "[ . 1 . 2]" 1
1589 1 89 ASN HB3 1 117 ALA MB . . 4.240 3.811 3.603 4.069 . 0 0 "[ . 1 . 2]" 1
1590 1 89 ASN QD 1 117 ALA H . . 4.950 3.502 2.597 4.675 . 0 0 "[ . 1 . 2]" 1
1591 1 89 ASN QD 1 117 ALA MB . . 3.620 2.381 1.908 3.172 . 0 0 "[ . 1 . 2]" 1
1592 1 89 ASN HD21 1 117 ALA MB . . 4.340 2.414 1.917 3.265 . 0 0 "[ . 1 . 2]" 1
1593 1 89 ASN HD22 1 117 ALA MB . . 4.340 3.721 3.483 4.306 . 0 0 "[ . 1 . 2]" 1
1594 1 90 ALA H 1 90 ALA MB . . 3.340 2.627 2.569 2.702 . 0 0 "[ . 1 . 2]" 1
1595 1 90 ALA H 1 91 THR H . . 4.530 4.428 4.405 4.452 . 0 0 "[ . 1 . 2]" 1
1596 1 90 ALA H 1 114 PHE HA . . 5.500 5.102 4.895 5.278 . 0 0 "[ . 1 . 2]" 1
1597 1 90 ALA H 1 114 PHE QD . . 5.500 5.371 5.153 5.504 0.004 19 0 "[ . 1 . 2]" 1
1598 1 90 ALA H 1 115 ILE H . . 3.590 3.301 3.114 3.428 . 0 0 "[ . 1 . 2]" 1
1599 1 90 ALA H 1 115 ILE HB . . 3.470 1.968 1.900 2.071 . 0 0 "[ . 1 . 2]" 1
1600 1 90 ALA H 1 115 ILE MD . . 4.800 4.623 4.549 4.723 . 0 0 "[ . 1 . 2]" 1
1601 1 90 ALA H 1 115 ILE HG12 . . 5.000 3.584 3.395 3.725 . 0 0 "[ . 1 . 2]" 1
1602 1 90 ALA H 1 115 ILE HG13 . . 5.350 3.557 3.384 3.717 . 0 0 "[ . 1 . 2]" 1
1603 1 90 ALA H 1 115 ILE MG . . 4.110 3.525 3.384 3.644 . 0 0 "[ . 1 . 2]" 1
1604 1 90 ALA HA 1 91 THR H . . 2.960 2.458 2.366 2.558 . 0 0 "[ . 1 . 2]" 1
1605 1 90 ALA MB 1 91 THR H . . 3.100 2.386 2.224 2.528 . 0 0 "[ . 1 . 2]" 1
1606 1 90 ALA MB 1 115 ILE HB . . 3.760 3.650 3.541 3.746 . 0 0 "[ . 1 . 2]" 1
1607 1 91 THR H 1 91 THR HB . . 3.670 3.618 3.564 3.674 0.004 2 0 "[ . 1 . 2]" 1
1608 1 91 THR HA 1 91 THR MG . . 3.300 2.146 2.065 2.312 . 0 0 "[ . 1 . 2]" 1
1609 1 91 THR HA 1 92 CYS H . . 2.990 2.145 2.141 2.152 . 0 0 "[ . 1 . 2]" 1
1610 1 91 THR HA 1 113 ILE H . . 4.870 4.740 4.506 4.868 . 0 0 "[ . 1 . 2]" 1
1611 1 91 THR HA 1 114 PHE QD . . 5.030 4.829 4.695 4.967 . 0 0 "[ . 1 . 2]" 1
1612 1 91 THR HA 1 115 ILE H . . 3.770 3.362 3.147 3.510 . 0 0 "[ . 1 . 2]" 1
1613 1 91 THR HA 1 115 ILE MD . . 4.740 4.553 4.398 4.693 . 0 0 "[ . 1 . 2]" 1
1614 1 91 THR HB 1 92 CYS H . . 3.710 3.500 3.275 3.662 . 0 0 "[ . 1 . 2]" 1
1615 1 91 THR HB 1 112 LYS QD . . 4.220 3.495 2.570 4.222 0.002 2 0 "[ . 1 . 2]" 1
1616 1 91 THR HB 1 112 LYS QG . . 3.860 2.571 2.260 2.924 . 0 0 "[ . 1 . 2]" 1
1617 1 91 THR HB 1 113 ILE H . . 5.370 5.001 4.459 5.207 . 0 0 "[ . 1 . 2]" 1
1618 1 91 THR HB 1 114 PHE HA . . 5.070 4.966 4.558 5.076 0.006 7 0 "[ . 1 . 2]" 1
1619 1 91 THR MG 1 92 CYS H . . 3.920 3.806 3.579 3.923 0.003 20 0 "[ . 1 . 2]" 1
1620 1 91 THR MG 1 112 LYS QE . . 4.670 2.848 1.824 3.833 . 0 0 "[ . 1 . 2]" 1
1621 1 91 THR MG 1 114 PHE H . . 4.990 4.872 4.603 4.992 0.002 11 0 "[ . 1 . 2]" 1
1622 1 91 THR MG 1 114 PHE HA . . 3.690 3.017 2.653 3.218 . 0 0 "[ . 1 . 2]" 1
1623 1 91 THR MG 1 114 PHE HB2 . . 4.170 3.573 3.212 3.769 . 0 0 "[ . 1 . 2]" 1
1624 1 91 THR MG 1 114 PHE HB3 . . 5.130 4.946 4.625 5.107 . 0 0 "[ . 1 . 2]" 1
1625 1 91 THR MG 1 114 PHE QD . . 3.500 3.448 3.303 3.506 0.006 16 0 "[ . 1 . 2]" 1
1626 1 91 THR MG 1 115 ILE H . . 4.290 4.110 3.810 4.215 . 0 0 "[ . 1 . 2]" 1
1627 1 92 CYS H 1 92 CYS HB2 . . 3.750 2.984 2.775 3.161 . 0 0 "[ . 1 . 2]" 1
1628 1 92 CYS H 1 92 CYS HB3 . . 3.620 2.548 2.433 2.688 . 0 0 "[ . 1 . 2]" 1
1629 1 92 CYS H 1 112 LYS HA . . 5.210 4.545 4.202 4.896 . 0 0 "[ . 1 . 2]" 1
1630 1 92 CYS H 1 113 ILE QG . . 4.910 4.492 4.189 4.810 . 0 0 "[ . 1 . 2]" 1
1631 1 92 CYS H 1 114 PHE HA . . 3.980 3.894 3.724 3.984 0.004 1 0 "[ . 1 . 2]" 1
1632 1 92 CYS H 1 115 ILE MD . . 3.820 3.510 3.310 3.748 . 0 0 "[ . 1 . 2]" 1
1633 1 92 CYS H 1 115 ILE HG13 . . 4.360 4.078 3.751 4.311 . 0 0 "[ . 1 . 2]" 1
1634 1 92 CYS HA 1 93 THR H . . 2.970 2.211 2.152 2.244 . 0 0 "[ . 1 . 2]" 1
1635 1 92 CYS HA 1 93 THR MG . . 5.420 5.370 5.278 5.419 . 0 0 "[ . 1 . 2]" 1
1636 1 92 CYS HA 1 113 ILE MG . . 4.570 4.258 3.877 4.564 . 0 0 "[ . 1 . 2]" 1
1637 1 92 CYS HB2 1 115 ILE H . . 5.500 5.443 5.320 5.508 0.008 11 0 "[ . 1 . 2]" 1
1638 1 92 CYS HB2 1 115 ILE HG12 . . 4.450 3.653 3.494 3.780 . 0 0 "[ . 1 . 2]" 1
1639 1 92 CYS HB2 1 115 ILE HG13 . . 4.630 3.188 2.902 3.388 . 0 0 "[ . 1 . 2]" 1
1640 1 92 CYS HB3 1 93 THR H . . 4.570 4.022 3.898 4.193 . 0 0 "[ . 1 . 2]" 1
1641 1 92 CYS HB3 1 113 ILE H . . 4.580 3.925 3.710 4.185 . 0 0 "[ . 1 . 2]" 1
1642 1 92 CYS HB3 1 113 ILE QG . . 4.510 4.162 3.777 4.503 . 0 0 "[ . 1 . 2]" 1
1643 1 92 CYS HB3 1 113 ILE MG . . 3.590 2.185 1.883 2.440 . 0 0 "[ . 1 . 2]" 1
1644 1 92 CYS HB3 1 115 ILE MD . . 3.330 2.595 2.233 2.971 . 0 0 "[ . 1 . 2]" 1
1645 1 93 THR H 1 93 THR HB . . 3.520 2.811 2.726 2.941 . 0 0 "[ . 1 . 2]" 1
1646 1 93 THR H 1 93 THR MG . . 4.180 3.896 3.858 3.922 . 0 0 "[ . 1 . 2]" 1
1647 1 93 THR H 1 94 VAL H . . 4.430 4.267 4.227 4.320 . 0 0 "[ . 1 . 2]" 1
1648 1 93 THR HA 1 93 THR MG . . 3.310 2.311 2.246 2.356 . 0 0 "[ . 1 . 2]" 1
1649 1 93 THR HA 1 94 VAL H . . 3.150 2.143 2.141 2.144 . 0 0 "[ . 1 . 2]" 1
1650 1 93 THR HA 1 111 VAL H . . 4.710 3.895 3.582 4.211 . 0 0 "[ . 1 . 2]" 1
1651 1 93 THR HA 1 112 LYS HA . . 3.470 2.720 2.553 2.845 . 0 0 "[ . 1 . 2]" 1
1652 1 93 THR HA 1 113 ILE H . . 3.840 3.472 3.241 3.663 . 0 0 "[ . 1 . 2]" 1
1653 1 93 THR HA 1 113 ILE MG . . 4.130 3.696 3.282 4.133 0.003 16 0 "[ . 1 . 2]" 1
1654 1 93 THR HB 1 94 VAL H . . 4.660 4.162 4.091 4.226 . 0 0 "[ . 1 . 2]" 1
1655 1 93 THR MG 1 94 VAL H . . 3.500 2.832 2.739 2.947 . 0 0 "[ . 1 . 2]" 1
1656 1 93 THR MG 1 94 VAL HA . . 4.810 4.208 4.072 4.405 . 0 0 "[ . 1 . 2]" 1
1657 1 93 THR MG 1 95 ARG HB2 . . 4.850 4.687 4.352 4.854 0.004 19 0 "[ . 1 . 2]" 1
1658 1 93 THR MG 1 95 ARG QD . . 4.220 2.996 2.498 3.913 . 0 0 "[ . 1 . 2]" 1
1659 1 93 THR MG 1 95 ARG QG . . 4.900 2.647 2.444 3.009 . 0 0 "[ . 1 . 2]" 1
1660 1 93 THR MG 1 110 PRO HA . . 3.920 2.999 2.734 3.305 . 0 0 "[ . 1 . 2]" 1
1661 1 93 THR MG 1 110 PRO HB2 . . 3.540 2.337 2.245 2.446 . 0 0 "[ . 1 . 2]" 1
1662 1 93 THR MG 1 110 PRO HB3 . . 3.100 2.698 2.610 2.816 . 0 0 "[ . 1 . 2]" 1
1663 1 93 THR MG 1 110 PRO HG3 . . 4.200 4.165 3.987 4.210 0.010 11 0 "[ . 1 . 2]" 1
1664 1 93 THR MG 1 111 VAL H . . 4.030 2.638 2.238 3.150 . 0 0 "[ . 1 . 2]" 1
1665 1 93 THR MG 1 112 LYS HA . . 4.010 3.291 2.932 3.503 . 0 0 "[ . 1 . 2]" 1
1666 1 93 THR MG 1 112 LYS HB2 . . 3.650 3.514 3.243 3.652 0.002 14 0 "[ . 1 . 2]" 1
1667 1 93 THR MG 1 112 LYS HB3 . . 5.240 4.783 4.405 5.038 . 0 0 "[ . 1 . 2]" 1
1668 1 94 VAL H 1 94 VAL HB . . 3.330 2.619 2.549 2.686 . 0 0 "[ . 1 . 2]" 1
1669 1 94 VAL H 1 94 VAL MG1 . . 4.680 3.817 3.801 3.833 . 0 0 "[ . 1 . 2]" 1
1670 1 94 VAL H 1 94 VAL MG2 . . 3.430 2.285 2.132 2.427 . 0 0 "[ . 1 . 2]" 1
1671 1 94 VAL H 1 110 PRO HA . . 4.730 4.631 4.443 4.731 0.001 10 0 "[ . 1 . 2]" 1
1672 1 94 VAL H 1 111 VAL H . . 3.810 2.992 2.732 3.269 . 0 0 "[ . 1 . 2]" 1
1673 1 94 VAL H 1 112 LYS HA . . 4.190 4.137 3.956 4.199 0.009 19 0 "[ . 1 . 2]" 1
1674 1 94 VAL H 1 113 ILE H . . 4.490 4.359 4.072 4.483 . 0 0 "[ . 1 . 2]" 1
1675 1 94 VAL HA 1 94 VAL MG1 . . 3.350 2.289 2.179 2.403 . 0 0 "[ . 1 . 2]" 1
1676 1 94 VAL HA 1 94 VAL MG2 . . 3.220 2.429 2.343 2.515 . 0 0 "[ . 1 . 2]" 1
1677 1 94 VAL HA 1 95 ARG H . . 2.940 2.207 2.160 2.241 . 0 0 "[ . 1 . 2]" 1
1678 1 94 VAL HB 1 95 ARG H . . 4.420 3.908 3.766 4.104 . 0 0 "[ . 1 . 2]" 1
1679 1 94 VAL MG1 1 95 ARG H . . 3.320 2.165 1.919 2.453 . 0 0 "[ . 1 . 2]" 1
1680 1 94 VAL MG1 1 95 ARG HA . . 4.440 3.498 3.264 3.678 . 0 0 "[ . 1 . 2]" 1
1681 1 94 VAL MG1 1 95 ARG HB3 . . 5.340 5.206 5.073 5.314 . 0 0 "[ . 1 . 2]" 1
1682 1 94 VAL MG1 1 96 ILE H . . 4.650 4.171 3.923 4.615 . 0 0 "[ . 1 . 2]" 1
1683 1 94 VAL MG1 1 96 ILE MD . . 3.450 3.299 3.066 3.451 0.001 10 0 "[ . 1 . 2]" 1
1684 1 94 VAL MG1 1 111 VAL H . . 5.180 4.882 4.657 5.063 . 0 0 "[ . 1 . 2]" 1
1685 1 94 VAL MG2 1 111 VAL H . . 5.500 4.547 4.389 4.737 . 0 0 "[ . 1 . 2]" 1
1686 1 94 VAL MG2 1 112 LYS HA . . 5.110 4.957 4.762 5.106 . 0 0 "[ . 1 . 2]" 1
1687 1 95 ARG H 1 95 ARG HB2 . . 3.840 2.893 2.759 2.988 . 0 0 "[ . 1 . 2]" 1
1688 1 95 ARG H 1 95 ARG QG . . 4.600 3.284 3.033 3.718 . 0 0 "[ . 1 . 2]" 1
1689 1 95 ARG H 1 96 ILE MD . . 5.410 5.148 5.022 5.329 . 0 0 "[ . 1 . 2]" 1
1690 1 95 ARG H 1 107 PHE QE . . 5.500 5.192 4.902 5.480 . 0 0 "[ . 1 . 2]" 1
1691 1 95 ARG HA 1 95 ARG HG2 . . 4.080 2.479 2.170 2.645 . 0 0 "[ . 1 . 2]" 1
1692 1 95 ARG HA 1 95 ARG QG . . 3.580 2.401 2.132 2.590 . 0 0 "[ . 1 . 2]" 1
1693 1 95 ARG HA 1 95 ARG HG3 . . 4.080 3.229 2.994 3.721 . 0 0 "[ . 1 . 2]" 1
1694 1 95 ARG HA 1 96 ILE H . . 3.270 2.157 2.142 2.293 . 0 0 "[ . 1 . 2]" 1
1695 1 95 ARG HA 1 96 ILE HG13 . . 4.770 3.615 3.396 3.778 . 0 0 "[ . 1 . 2]" 1
1696 1 95 ARG HA 1 108 SER HG . . 4.110 3.253 2.790 3.881 . 0 0 "[ . 1 . 2]" 1
1697 1 95 ARG HB2 1 95 ARG HE . . 4.270 3.576 3.053 4.269 . 0 0 "[ . 1 . 2]" 1
1698 1 95 ARG HB2 1 96 ILE H . . 4.780 4.246 4.077 4.407 . 0 0 "[ . 1 . 2]" 1
1699 1 95 ARG HB2 1 107 PHE HB2 . . 5.500 4.560 4.411 4.849 . 0 0 "[ . 1 . 2]" 1
1700 1 95 ARG HB2 1 107 PHE HB3 . . 4.660 3.634 3.435 3.984 . 0 0 "[ . 1 . 2]" 1
1701 1 95 ARG HB2 1 107 PHE QD . . 4.680 2.706 2.405 3.223 . 0 0 "[ . 1 . 2]" 1
1702 1 95 ARG HB2 1 107 PHE QE . . 4.660 3.979 3.561 4.546 . 0 0 "[ . 1 . 2]" 1
1703 1 95 ARG HB2 1 108 SER H . . 5.500 5.463 5.322 5.504 0.004 6 0 "[ . 1 . 2]" 1
1704 1 95 ARG HB3 1 95 ARG QD . . 3.700 2.698 2.523 2.856 . 0 0 "[ . 1 . 2]" 1
1705 1 95 ARG HB3 1 95 ARG HE . . 4.200 2.326 2.027 2.757 . 0 0 "[ . 1 . 2]" 1
1706 1 95 ARG HB3 1 96 ILE H . . 4.220 3.329 2.801 3.446 . 0 0 "[ . 1 . 2]" 1
1707 1 95 ARG HB3 1 107 PHE H . . 5.500 5.450 5.361 5.502 0.002 14 0 "[ . 1 . 2]" 1
1708 1 95 ARG HB3 1 107 PHE HB2 . . 4.200 3.263 3.117 3.451 . 0 0 "[ . 1 . 2]" 1
1709 1 95 ARG HB3 1 107 PHE HB3 . . 4.200 2.067 1.999 2.237 . 0 0 "[ . 1 . 2]" 1
1710 1 95 ARG HB3 1 107 PHE QD . . 4.260 2.178 2.026 2.346 . 0 0 "[ . 1 . 2]" 1
1711 1 95 ARG HB3 1 107 PHE QE . . 4.370 4.299 4.054 4.376 0.006 2 0 "[ . 1 . 2]" 1
1712 1 95 ARG HB3 1 108 SER H . . 4.650 3.847 3.634 3.973 . 0 0 "[ . 1 . 2]" 1
1713 1 95 ARG QD 1 110 PRO HA . . 4.400 3.180 1.966 3.750 . 0 0 "[ . 1 . 2]" 1
1714 1 95 ARG QD 1 110 PRO HB3 . . 4.300 2.198 2.048 2.361 . 0 0 "[ . 1 . 2]" 1
1715 1 95 ARG QD 1 110 PRO HD3 . . 4.430 3.879 2.573 4.371 . 0 0 "[ . 1 . 2]" 1
1716 1 95 ARG QD 1 110 PRO HG2 . . 5.310 4.835 4.137 5.182 . 0 0 "[ . 1 . 2]" 1
1717 1 95 ARG QD 1 110 PRO HG3 . . 4.620 3.873 3.541 4.278 . 0 0 "[ . 1 . 2]" 1
1718 1 95 ARG HE 1 96 ILE H . . 5.060 4.891 4.507 5.049 . 0 0 "[ . 1 . 2]" 1
1719 1 95 ARG HE 1 108 SER H . . 4.720 4.204 3.176 4.722 0.002 11 0 "[ . 1 . 2]" 1
1720 1 95 ARG HE 1 110 PRO HB3 . . 5.500 3.855 2.629 5.155 . 0 0 "[ . 1 . 2]" 1
1721 1 95 ARG QG 1 96 ILE H . . 4.910 4.132 3.466 4.444 . 0 0 "[ . 1 . 2]" 1
1722 1 95 ARG QG 1 107 PHE HB2 . . 5.340 4.641 4.196 4.922 . 0 0 "[ . 1 . 2]" 1
1723 1 95 ARG QG 1 107 PHE HB3 . . 4.890 3.873 3.525 4.177 . 0 0 "[ . 1 . 2]" 1
1724 1 95 ARG QG 1 108 SER H . . 5.340 4.950 4.099 5.327 . 0 0 "[ . 1 . 2]" 1
1725 1 95 ARG QG 1 110 PRO HA . . 3.590 2.095 1.996 2.488 . 0 0 "[ . 1 . 2]" 1
1726 1 95 ARG QG 1 111 VAL H . . 4.330 3.326 3.118 3.500 . 0 0 "[ . 1 . 2]" 1
1727 1 95 ARG HG2 1 110 PRO HA . . 4.210 2.154 2.012 2.535 . 0 0 "[ . 1 . 2]" 1
1728 1 95 ARG HG3 1 110 PRO HA . . 4.210 3.126 2.304 3.640 . 0 0 "[ . 1 . 2]" 1
1729 1 96 ILE H 1 96 ILE HB . . 4.010 2.762 2.685 2.896 . 0 0 "[ . 1 . 2]" 1
1730 1 96 ILE H 1 96 ILE MD . . 4.710 4.021 3.910 4.284 . 0 0 "[ . 1 . 2]" 1
1731 1 96 ILE H 1 96 ILE HG12 . . 4.140 3.513 3.227 3.792 . 0 0 "[ . 1 . 2]" 1
1732 1 96 ILE H 1 96 ILE HG13 . . 4.220 2.555 2.404 2.913 . 0 0 "[ . 1 . 2]" 1
1733 1 96 ILE H 1 96 ILE MG . . 4.410 3.891 3.867 3.953 . 0 0 "[ . 1 . 2]" 1
1734 1 96 ILE H 1 97 ALA H . . 4.740 4.464 4.377 4.507 . 0 0 "[ . 1 . 2]" 1
1735 1 96 ILE H 1 107 PHE HB3 . . 4.870 3.675 2.787 4.056 . 0 0 "[ . 1 . 2]" 1
1736 1 96 ILE H 1 108 SER QB . . 4.610 3.893 3.667 4.168 . 0 0 "[ . 1 . 2]" 1
1737 1 96 ILE H 1 108 SER HG . . 3.650 2.374 1.907 3.240 . 0 0 "[ . 1 . 2]" 1
1738 1 96 ILE HA 1 96 ILE MD . . 4.200 3.811 3.666 3.893 . 0 0 "[ . 1 . 2]" 1
1739 1 96 ILE HA 1 96 ILE HG12 . . 3.860 2.593 2.503 2.688 . 0 0 "[ . 1 . 2]" 1
1740 1 96 ILE HA 1 96 ILE MG . . 3.490 2.315 2.211 2.388 . 0 0 "[ . 1 . 2]" 1
1741 1 96 ILE HA 1 97 ALA H . . 3.040 2.226 2.145 2.288 . 0 0 "[ . 1 . 2]" 1
1742 1 96 ILE HA 1 97 ALA MB . . 4.150 3.839 3.766 3.942 . 0 0 "[ . 1 . 2]" 1
1743 1 96 ILE HA 1 107 PHE QD . . 4.570 3.224 2.837 3.538 . 0 0 "[ . 1 . 2]" 1
1744 1 96 ILE HA 1 107 PHE QE . . 4.640 3.705 3.505 3.975 . 0 0 "[ . 1 . 2]" 1
1745 1 96 ILE HB 1 97 ALA H . . 4.060 3.812 3.685 4.060 . 0 0 "[ . 1 . 2]" 1
1746 1 96 ILE MD 1 97 ALA H . . 5.500 4.833 4.633 5.088 . 0 0 "[ . 1 . 2]" 1
1747 1 96 ILE HG12 1 96 ILE MG . . 3.330 2.420 2.281 2.558 . 0 0 "[ . 1 . 2]" 1
1748 1 96 ILE HG12 1 97 ALA H . . 4.760 4.479 4.364 4.646 . 0 0 "[ . 1 . 2]" 1
1749 1 96 ILE MG 1 97 ALA H . . 3.480 2.110 1.908 2.473 . 0 0 "[ . 1 . 2]" 1
1750 1 97 ALA H 1 97 ALA MB . . 3.340 2.587 2.341 2.659 . 0 0 "[ . 1 . 2]" 1
1751 1 97 ALA H 1 98 ALA H . . 5.080 4.398 4.288 4.465 . 0 0 "[ . 1 . 2]" 1
1752 1 97 ALA H 1 104 VAL QG . . 5.260 5.153 4.902 5.266 0.006 2 0 "[ . 1 . 2]" 1
1753 1 97 ALA H 1 107 PHE HA . . 4.720 4.284 4.022 4.589 . 0 0 "[ . 1 . 2]" 1
1754 1 97 ALA H 1 107 PHE QD . . 4.210 3.962 3.661 4.195 . 0 0 "[ . 1 . 2]" 1
1755 1 97 ALA H 1 107 PHE QE . . 4.470 4.038 3.562 4.411 . 0 0 "[ . 1 . 2]" 1
1756 1 97 ALA HA 1 98 ALA H . . 3.280 2.306 2.180 2.507 . 0 0 "[ . 1 . 2]" 1
1757 1 97 ALA HA 1 98 ALA MB . . 4.110 3.972 3.899 4.053 . 0 0 "[ . 1 . 2]" 1
1758 1 97 ALA MB 1 98 ALA H . . 3.680 2.717 2.358 2.977 . 0 0 "[ . 1 . 2]" 1
1759 1 97 ALA MB 1 98 ALA MB . . 4.280 4.116 3.892 4.293 0.013 19 0 "[ . 1 . 2]" 1
1760 1 97 ALA MB 1 99 VAL QG . . 4.040 3.350 3.074 3.549 . 0 0 "[ . 1 . 2]" 1
1761 1 97 ALA MB 1 104 VAL HA . . 5.080 4.806 4.523 5.061 . 0 0 "[ . 1 . 2]" 1
1762 1 97 ALA MB 1 104 VAL HB . . 5.500 5.264 4.948 5.498 . 0 0 "[ . 1 . 2]" 1
1763 1 97 ALA MB 1 104 VAL QG . . 2.960 2.719 2.492 2.896 . 0 0 "[ . 1 . 2]" 1
1764 1 97 ALA MB 1 105 GLY H . . 3.860 3.668 3.398 3.860 . 0 0 "[ . 1 . 2]" 1
1765 1 97 ALA MB 1 105 GLY QA . . 4.240 3.867 3.556 4.179 . 0 0 "[ . 1 . 2]" 1
1766 1 97 ALA MB 1 107 PHE H . . 4.620 3.351 3.032 3.646 . 0 0 "[ . 1 . 2]" 1
1767 1 97 ALA MB 1 107 PHE HB3 . . 4.630 3.531 3.413 3.743 . 0 0 "[ . 1 . 2]" 1
1768 1 97 ALA MB 1 107 PHE QD . . 3.770 2.709 2.414 2.918 . 0 0 "[ . 1 . 2]" 1
1769 1 97 ALA MB 1 107 PHE QE . . 3.660 3.042 2.702 3.357 . 0 0 "[ . 1 . 2]" 1
1770 1 97 ALA MB 1 107 PHE HZ . . 4.500 3.565 3.075 3.936 . 0 0 "[ . 1 . 2]" 1
1771 1 97 ALA MB 1 108 SER H . . 4.310 3.783 3.576 3.998 . 0 0 "[ . 1 . 2]" 1
1772 1 98 ALA H 1 98 ALA MB . . 3.390 2.216 2.085 2.335 . 0 0 "[ . 1 . 2]" 1
1773 1 98 ALA H 1 105 GLY H . . 4.820 4.288 3.843 4.697 . 0 0 "[ . 1 . 2]" 1
1774 1 98 ALA HA 1 99 VAL H . . 3.080 2.160 2.142 2.203 . 0 0 "[ . 1 . 2]" 1
1775 1 98 ALA HA 1 99 VAL QG . . 4.570 3.616 3.298 3.938 . 0 0 "[ . 1 . 2]" 1
1776 1 98 ALA MB 1 99 VAL H . . 3.610 3.090 2.868 3.233 . 0 0 "[ . 1 . 2]" 1
1777 1 98 ALA MB 1 100 THR MG . . 4.590 3.483 3.135 3.871 . 0 0 "[ . 1 . 2]" 1
1778 1 98 ALA MB 1 105 GLY H . . 4.680 4.248 3.885 4.607 . 0 0 "[ . 1 . 2]" 1
1779 1 99 VAL H 1 99 VAL HB . . 3.780 2.902 2.403 3.790 0.010 18 0 "[ . 1 . 2]" 1
1780 1 99 VAL H 1 99 VAL MG1 . . 4.080 3.450 2.576 3.850 . 0 0 "[ . 1 . 2]" 1
1781 1 99 VAL H 1 99 VAL QG . . 3.300 2.574 2.052 2.993 . 0 0 "[ . 1 . 2]" 1
1782 1 99 VAL H 1 99 VAL MG2 . . 4.080 2.665 2.127 3.152 . 0 0 "[ . 1 . 2]" 1
1783 1 99 VAL H 1 100 THR H . . 4.590 4.454 4.350 4.517 . 0 0 "[ . 1 . 2]" 1
1784 1 99 VAL H 1 100 THR MG . . 4.730 4.177 3.836 4.388 . 0 0 "[ . 1 . 2]" 1
1785 1 99 VAL HA 1 99 VAL MG1 . . 3.250 2.400 2.194 2.524 . 0 0 "[ . 1 . 2]" 1
1786 1 99 VAL HA 1 99 VAL QG . . 2.820 2.145 2.023 2.356 . 0 0 "[ . 1 . 2]" 1
1787 1 99 VAL HA 1 99 VAL MG2 . . 3.250 2.554 2.133 3.201 . 0 0 "[ . 1 . 2]" 1
1788 1 99 VAL HA 1 100 THR H . . 2.920 2.203 2.142 2.301 . 0 0 "[ . 1 . 2]" 1
1789 1 99 VAL HA 1 104 VAL HA . . 3.670 2.589 2.189 2.903 . 0 0 "[ . 1 . 2]" 1
1790 1 99 VAL HA 1 105 GLY H . . 3.800 3.147 2.263 3.807 0.007 17 0 "[ . 1 . 2]" 1
1791 1 99 VAL HB 1 100 THR H . . 4.380 3.736 2.647 4.350 . 0 0 "[ . 1 . 2]" 1
1792 1 99 VAL QG 1 100 THR H . . 3.450 2.614 2.090 3.381 . 0 0 "[ . 1 . 2]" 1
1793 1 99 VAL QG 1 104 VAL HA . . 3.470 2.678 1.978 3.230 . 0 0 "[ . 1 . 2]" 1
1794 1 99 VAL QG 1 104 VAL HB . . 4.440 3.214 2.320 4.315 . 0 0 "[ . 1 . 2]" 1
1795 1 99 VAL QG 1 105 GLY H . . 4.160 3.378 2.568 4.054 . 0 0 "[ . 1 . 2]" 1
1796 1 99 VAL MG1 1 100 THR H . . 4.090 2.798 2.099 3.919 . 0 0 "[ . 1 . 2]" 1
1797 1 99 VAL MG1 1 104 VAL HA . . 4.250 3.153 1.981 4.023 . 0 0 "[ . 1 . 2]" 1
1798 1 99 VAL MG2 1 100 THR H . . 4.090 3.774 3.456 4.092 0.002 12 0 "[ . 1 . 2]" 1
1799 1 99 VAL MG2 1 104 VAL HA . . 4.250 3.446 2.414 4.257 0.007 16 0 "[ . 1 . 2]" 1
1800 1 100 THR H 1 100 THR MG . . 3.760 2.857 2.582 3.093 . 0 0 "[ . 1 . 2]" 1
1801 1 100 THR H 1 102 GLY H . . 4.370 3.824 3.628 4.165 . 0 0 "[ . 1 . 2]" 1
1802 1 100 THR H 1 103 GLY H . . 3.560 3.314 3.014 3.542 . 0 0 "[ . 1 . 2]" 1
1803 1 100 THR H 1 104 VAL HA . . 3.730 3.391 3.100 3.729 . 0 0 "[ . 1 . 2]" 1
1804 1 100 THR H 1 104 VAL QG . . 5.040 4.404 3.677 4.885 . 0 0 "[ . 1 . 2]" 1
1805 1 100 THR HA 1 100 THR MG . . 3.230 2.360 2.259 2.518 . 0 0 "[ . 1 . 2]" 1
1806 1 100 THR HA 1 101 ARG H . . 3.560 2.608 2.550 2.658 . 0 0 "[ . 1 . 2]" 1
1807 1 100 THR HA 1 102 GLY H . . 4.060 4.029 3.959 4.070 0.010 7 0 "[ . 1 . 2]" 1
1808 1 100 THR HB 1 101 ARG H . . 3.430 2.026 1.919 2.129 . 0 0 "[ . 1 . 2]" 1
1809 1 100 THR HB 1 101 ARG HA . . 4.840 4.638 4.522 4.811 . 0 0 "[ . 1 . 2]" 1
1810 1 100 THR HB 1 102 GLY H . . 4.090 2.993 2.688 3.387 . 0 0 "[ . 1 . 2]" 1
1811 1 100 THR MG 1 101 ARG H . . 4.040 3.600 3.436 3.742 . 0 0 "[ . 1 . 2]" 1
1812 1 100 THR MG 1 102 GLY H . . 4.590 4.092 3.977 4.214 . 0 0 "[ . 1 . 2]" 1
1813 1 100 THR MG 1 103 GLY H . . 4.380 4.214 4.064 4.384 0.004 11 0 "[ . 1 . 2]" 1
1814 1 101 ARG H 1 101 ARG HB2 . . 4.100 2.271 2.179 3.501 . 0 0 "[ . 1 . 2]" 1
1815 1 101 ARG H 1 101 ARG QB . . 3.490 2.217 2.158 2.847 . 0 0 "[ . 1 . 2]" 1
1816 1 101 ARG H 1 101 ARG HB3 . . 4.100 3.477 3.013 3.540 . 0 0 "[ . 1 . 2]" 1
1817 1 101 ARG H 1 101 ARG HG2 . . 4.120 3.622 2.078 4.116 . 0 0 "[ . 1 . 2]" 1
1818 1 101 ARG H 1 101 ARG QG . . 3.610 2.884 1.852 3.101 . 0 0 "[ . 1 . 2]" 1
1819 1 101 ARG H 1 101 ARG HG3 . . 4.120 3.165 2.080 3.855 . 0 0 "[ . 1 . 2]" 1
1820 1 101 ARG H 1 102 GLY H . . 4.170 2.678 2.523 2.815 . 0 0 "[ . 1 . 2]" 1
1821 1 101 ARG H 1 103 GLY H . . 4.860 4.539 4.295 4.774 . 0 0 "[ . 1 . 2]" 1
1822 1 101 ARG HA 1 101 ARG QD . . 4.160 3.590 2.308 4.276 0.116 19 0 "[ . 1 . 2]" 1
1823 1 101 ARG HA 1 101 ARG HG2 . . 3.660 2.418 2.166 3.689 0.029 19 0 "[ . 1 . 2]" 1
1824 1 101 ARG HA 1 101 ARG HG3 . . 3.660 3.149 2.548 3.652 . 0 0 "[ . 1 . 2]" 1
1825 1 101 ARG HA 1 103 GLY H . . 5.120 4.779 4.371 5.071 . 0 0 "[ . 1 . 2]" 1
1826 1 101 ARG QB 1 101 ARG QD . . 3.240 2.195 2.001 2.545 . 0 0 "[ . 1 . 2]" 1
1827 1 101 ARG QB 1 102 GLY H . . 4.260 3.527 3.281 3.820 . 0 0 "[ . 1 . 2]" 1
1828 1 102 GLY H 1 103 GLY H . . 3.220 2.141 1.912 2.377 . 0 0 "[ . 1 . 2]" 1
1829 1 102 GLY QA 1 103 GLY H . . 3.110 2.682 2.569 2.816 . 0 0 "[ . 1 . 2]" 1
1830 1 103 GLY H 1 104 VAL H . . 4.410 4.343 4.092 4.394 . 0 0 "[ . 1 . 2]" 1
1831 1 103 GLY QA 1 104 VAL H . . 2.790 2.250 2.148 2.283 . 0 0 "[ . 1 . 2]" 1
1832 1 103 GLY QA 1 104 VAL QG . . 3.610 3.487 3.088 3.612 0.002 1 0 "[ . 1 . 2]" 1
1833 1 103 GLY HA2 1 104 VAL H . . 3.200 2.457 2.196 2.813 . 0 0 "[ . 1 . 2]" 1
1834 1 103 GLY HA3 1 104 VAL H . . 3.200 2.689 2.340 3.043 . 0 0 "[ . 1 . 2]" 1
1835 1 104 VAL H 1 104 VAL HB . . 3.110 2.693 2.438 2.939 . 0 0 "[ . 1 . 2]" 1
1836 1 104 VAL H 1 104 VAL QG . . 2.980 2.098 1.877 2.749 . 0 0 "[ . 1 . 2]" 1
1837 1 104 VAL HA 1 104 VAL MG1 . . 3.540 2.926 2.185 3.203 . 0 0 "[ . 1 . 2]" 1
1838 1 104 VAL HA 1 104 VAL QG . . 2.990 2.191 2.037 2.361 . 0 0 "[ . 1 . 2]" 1
1839 1 104 VAL HA 1 104 VAL MG2 . . 3.540 2.314 2.192 2.534 . 0 0 "[ . 1 . 2]" 1
1840 1 104 VAL HA 1 105 GLY H . . 3.120 2.188 2.145 2.363 . 0 0 "[ . 1 . 2]" 1
1841 1 104 VAL QG 1 105 GLY H . . 3.360 2.285 1.888 2.617 . 0 0 "[ . 1 . 2]" 1
1842 1 104 VAL QG 1 105 GLY QA . . 4.430 3.373 3.094 3.696 . 0 0 "[ . 1 . 2]" 1
1843 1 104 VAL QG 1 107 PHE QD . . 4.170 4.045 3.849 4.177 0.007 18 0 "[ . 1 . 2]" 1
1844 1 104 VAL QG 1 107 PHE QE . . 5.260 2.905 2.566 3.245 . 0 0 "[ . 1 . 2]" 1
1845 1 104 VAL QG 1 107 PHE HZ . . 4.430 3.681 3.396 4.149 . 0 0 "[ . 1 . 2]" 1
1846 1 105 GLY H 1 106 PRO QD . . 4.500 4.268 4.179 4.338 . 0 0 "[ . 1 . 2]" 1
1847 1 105 GLY HA2 1 106 PRO HD2 . . 3.790 2.758 2.572 2.943 . 0 0 "[ . 1 . 2]" 1
1848 1 105 GLY HA2 1 106 PRO HD3 . . 3.790 2.509 2.381 2.657 . 0 0 "[ . 1 . 2]" 1
1849 1 105 GLY HA3 1 106 PRO HD2 . . 3.790 2.284 2.130 2.455 . 0 0 "[ . 1 . 2]" 1
1850 1 105 GLY HA3 1 106 PRO HD3 . . 3.790 3.164 2.982 3.342 . 0 0 "[ . 1 . 2]" 1
1851 1 106 PRO HA 1 107 PHE H . . 2.880 2.201 2.159 2.235 . 0 0 "[ . 1 . 2]" 1
1852 1 106 PRO HA 1 107 PHE HB2 . . 4.550 4.527 4.461 4.560 0.010 10 0 "[ . 1 . 2]" 1
1853 1 106 PRO HA 1 107 PHE QE . . 5.010 4.693 4.462 4.997 . 0 0 "[ . 1 . 2]" 1
1854 1 106 PRO HB2 1 107 PHE H . . 3.870 3.243 3.099 3.478 . 0 0 "[ . 1 . 2]" 1
1855 1 106 PRO HB3 1 107 PHE H . . 4.250 3.813 3.723 3.963 . 0 0 "[ . 1 . 2]" 1
1856 1 107 PHE H 1 107 PHE HB2 . . 3.230 2.353 2.326 2.385 . 0 0 "[ . 1 . 2]" 1
1857 1 107 PHE H 1 107 PHE HB3 . . 3.620 3.579 3.562 3.594 . 0 0 "[ . 1 . 2]" 1
1858 1 107 PHE H 1 107 PHE QD . . 4.060 1.925 1.898 1.954 . 0 0 "[ . 1 . 2]" 1
1859 1 107 PHE H 1 107 PHE QE . . 4.300 4.259 4.162 4.304 0.004 11 0 "[ . 1 . 2]" 1
1860 1 107 PHE H 1 108 SER H . . 4.700 4.612 4.552 4.633 . 0 0 "[ . 1 . 2]" 1
1861 1 107 PHE HA 1 107 PHE QD . . 4.430 3.085 3.027 3.130 . 0 0 "[ . 1 . 2]" 1
1862 1 107 PHE HA 1 108 SER H . . 3.130 2.364 2.255 2.537 . 0 0 "[ . 1 . 2]" 1
1863 1 107 PHE HB2 1 108 SER H . . 4.420 3.799 3.465 4.032 . 0 0 "[ . 1 . 2]" 1
1864 1 107 PHE HB3 1 108 SER H . . 4.180 2.536 2.142 2.833 . 0 0 "[ . 1 . 2]" 1
1865 1 108 SER H 1 108 SER HB2 . . 4.020 3.602 3.554 3.632 . 0 0 "[ . 1 . 2]" 1
1866 1 108 SER H 1 108 SER QB . . 3.440 2.602 2.434 2.791 . 0 0 "[ . 1 . 2]" 1
1867 1 108 SER H 1 108 SER HB3 . . 4.020 2.672 2.475 2.913 . 0 0 "[ . 1 . 2]" 1
1868 1 108 SER H 1 108 SER HG . . 4.360 2.507 1.901 3.407 . 0 0 "[ . 1 . 2]" 1
1869 1 108 SER HA 1 109 ASP H . . 3.140 2.637 2.603 2.655 . 0 0 "[ . 1 . 2]" 1
1870 1 108 SER HA 1 109 ASP QB . . 5.340 4.711 4.416 5.041 . 0 0 "[ . 1 . 2]" 1
1871 1 108 SER QB 1 109 ASP H . . 3.330 2.001 1.905 2.095 . 0 0 "[ . 1 . 2]" 1
1872 1 108 SER HB2 1 109 ASP H . . 3.900 2.013 1.916 2.108 . 0 0 "[ . 1 . 2]" 1
1873 1 108 SER HB3 1 109 ASP H . . 3.900 3.520 3.329 3.625 . 0 0 "[ . 1 . 2]" 1
1874 1 108 SER HG 1 109 ASP H . . 4.430 3.658 2.906 4.319 . 0 0 "[ . 1 . 2]" 1
1875 1 109 ASP H 1 109 ASP HB2 . . 3.670 3.115 2.735 3.587 . 0 0 "[ . 1 . 2]" 1
1876 1 109 ASP H 1 109 ASP QB . . 3.110 2.518 2.149 2.798 . 0 0 "[ . 1 . 2]" 1
1877 1 109 ASP H 1 109 ASP HB3 . . 3.670 2.801 2.214 3.572 . 0 0 "[ . 1 . 2]" 1
1878 1 109 ASP H 1 110 PRO HD2 . . 5.010 4.778 4.747 4.798 . 0 0 "[ . 1 . 2]" 1
1879 1 109 ASP QB 1 110 PRO HD2 . . 3.480 2.935 2.620 3.187 . 0 0 "[ . 1 . 2]" 1
1880 1 109 ASP QB 1 110 PRO HD3 . . 4.080 3.953 3.749 4.079 . 0 0 "[ . 1 . 2]" 1
1881 1 109 ASP QB 1 110 PRO HG2 . . 5.340 4.606 4.201 5.012 . 0 0 "[ . 1 . 2]" 1
1882 1 109 ASP HB2 1 110 PRO HD2 . . 4.160 3.361 2.785 4.081 . 0 0 "[ . 1 . 2]" 1
1883 1 109 ASP HB2 1 110 PRO HD3 . . 4.950 4.433 4.087 4.923 . 0 0 "[ . 1 . 2]" 1
1884 1 109 ASP HB3 1 110 PRO HD2 . . 4.160 3.545 2.662 4.115 . 0 0 "[ . 1 . 2]" 1
1885 1 109 ASP HB3 1 110 PRO HD3 . . 4.950 4.568 3.996 4.988 0.038 7 0 "[ . 1 . 2]" 1
1886 1 110 PRO HA 1 111 VAL H . . 3.020 2.179 2.151 2.238 . 0 0 "[ . 1 . 2]" 1
1887 1 110 PRO HA 1 111 VAL HB . . 4.680 4.340 4.237 4.399 . 0 0 "[ . 1 . 2]" 1
1888 1 110 PRO HB2 1 111 VAL H . . 3.730 3.375 3.084 3.629 . 0 0 "[ . 1 . 2]" 1
1889 1 110 PRO HB2 1 112 LYS H . . 4.800 4.827 4.750 4.861 0.061 11 0 "[ . 1 . 2]" 1
1890 1 110 PRO HB3 1 111 VAL H . . 4.390 3.898 3.715 4.066 . 0 0 "[ . 1 . 2]" 1
1891 1 110 PRO HG2 1 111 VAL HA . . 5.500 4.977 4.886 5.056 . 0 0 "[ . 1 . 2]" 1
1892 1 111 VAL H 1 111 VAL HB . . 3.730 2.717 2.383 2.977 . 0 0 "[ . 1 . 2]" 1
1893 1 111 VAL H 1 111 VAL MG1 . . 3.900 2.844 2.222 3.708 . 0 0 "[ . 1 . 2]" 1
1894 1 111 VAL H 1 111 VAL QG . . 3.360 2.563 2.209 3.065 . 0 0 "[ . 1 . 2]" 1
1895 1 111 VAL H 1 111 VAL MG2 . . 3.900 3.620 3.074 3.956 0.056 15 0 "[ . 1 . 2]" 1
1896 1 111 VAL H 1 112 LYS H . . 4.420 4.208 4.139 4.259 . 0 0 "[ . 1 . 2]" 1
1897 1 111 VAL HA 1 111 VAL MG1 . . 3.730 2.931 2.535 3.182 . 0 0 "[ . 1 . 2]" 1
1898 1 111 VAL HA 1 111 VAL QG . . 2.960 2.082 1.988 2.177 . 0 0 "[ . 1 . 2]" 1
1899 1 111 VAL HA 1 111 VAL MG2 . . 3.730 2.139 2.072 2.217 . 0 0 "[ . 1 . 2]" 1
1900 1 111 VAL HA 1 112 LYS H . . 2.740 2.143 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
1901 1 111 VAL HA 1 112 LYS HB2 . . 4.980 4.709 4.456 4.845 . 0 0 "[ . 1 . 2]" 1
1902 1 111 VAL HA 1 112 LYS HB3 . . 4.720 4.511 4.397 4.756 0.036 5 0 "[ . 1 . 2]" 1
1903 1 111 VAL HB 1 112 LYS H . . 4.550 4.466 4.448 4.499 . 0 0 "[ . 1 . 2]" 1
1904 1 111 VAL QG 1 112 LYS H . . 3.270 2.769 2.685 2.931 . 0 0 "[ . 1 . 2]" 1
1905 1 111 VAL QG 1 112 LYS HA . . 4.740 3.705 3.619 3.868 . 0 0 "[ . 1 . 2]" 1
1906 1 111 VAL QG 1 112 LYS HB3 . . 5.440 4.360 4.258 4.520 . 0 0 "[ . 1 . 2]" 1
1907 1 111 VAL MG1 1 112 LYS H . . 3.800 3.492 2.845 3.906 0.106 7 0 "[ . 1 . 2]" 1
1908 1 111 VAL MG2 1 112 LYS H . . 3.800 3.201 2.743 3.853 0.053 2 0 "[ . 1 . 2]" 1
1909 1 112 LYS H 1 112 LYS HB2 . . 3.370 2.821 2.466 3.008 . 0 0 "[ . 1 . 2]" 1
1910 1 112 LYS H 1 112 LYS HB3 . . 3.680 2.395 2.301 2.623 . 0 0 "[ . 1 . 2]" 1
1911 1 112 LYS H 1 112 LYS QD . . 4.580 4.504 4.367 4.592 0.012 10 0 "[ . 1 . 2]" 1
1912 1 112 LYS H 1 112 LYS QG . . 4.580 3.949 3.883 4.008 . 0 0 "[ . 1 . 2]" 1
1913 1 112 LYS HA 1 112 LYS QG . . 3.570 2.551 2.332 2.662 . 0 0 "[ . 1 . 2]" 1
1914 1 112 LYS HA 1 113 ILE H . . 2.880 2.156 2.141 2.187 . 0 0 "[ . 1 . 2]" 1
1915 1 112 LYS HA 1 113 ILE HB . . 5.090 4.856 4.663 4.969 . 0 0 "[ . 1 . 2]" 1
1916 1 112 LYS HA 1 113 ILE MG . . 4.370 3.616 3.431 3.800 . 0 0 "[ . 1 . 2]" 1
1917 1 112 LYS HB2 1 112 LYS QE . . 4.310 3.199 2.025 4.117 . 0 0 "[ . 1 . 2]" 1
1918 1 112 LYS HB2 1 113 ILE H . . 4.460 4.362 4.269 4.460 0.000 5 0 "[ . 1 . 2]" 1
1919 1 112 LYS HB3 1 112 LYS QE . . 4.220 3.230 2.236 4.179 . 0 0 "[ . 1 . 2]" 1
1920 1 112 LYS QE 1 112 LYS HG2 . . 3.890 2.732 2.087 3.404 . 0 0 "[ . 1 . 2]" 1
1921 1 112 LYS QE 1 112 LYS QG . . 3.380 2.204 2.050 2.461 . 0 0 "[ . 1 . 2]" 1
1922 1 112 LYS QE 1 112 LYS HG3 . . 3.890 2.703 2.125 3.449 . 0 0 "[ . 1 . 2]" 1
1923 1 112 LYS QG 1 113 ILE H . . 3.460 3.220 2.959 3.408 . 0 0 "[ . 1 . 2]" 1
1924 1 112 LYS HG2 1 113 ILE H . . 4.080 3.607 3.177 3.989 . 0 0 "[ . 1 . 2]" 1
1925 1 112 LYS HG3 1 113 ILE H . . 4.080 3.674 3.257 3.993 . 0 0 "[ . 1 . 2]" 1
1926 1 113 ILE H 1 113 ILE HB . . 4.100 3.098 2.871 3.274 . 0 0 "[ . 1 . 2]" 1
1927 1 113 ILE H 1 113 ILE HG12 . . 4.760 4.396 4.208 4.763 0.003 10 0 "[ . 1 . 2]" 1
1928 1 113 ILE H 1 113 ILE QG . . 4.100 3.929 3.846 4.025 . 0 0 "[ . 1 . 2]" 1
1929 1 113 ILE H 1 113 ILE HG13 . . 4.760 4.452 4.340 4.562 . 0 0 "[ . 1 . 2]" 1
1930 1 113 ILE H 1 113 ILE MG . . 3.450 1.960 1.858 2.153 . 0 0 "[ . 1 . 2]" 1
1931 1 113 ILE HA 1 113 ILE MD . . 4.080 3.340 2.500 3.786 . 0 0 "[ . 1 . 2]" 1
1932 1 113 ILE HA 1 113 ILE MG . . 3.340 3.181 3.165 3.199 . 0 0 "[ . 1 . 2]" 1
1933 1 113 ILE HA 1 114 PHE H . . 2.980 2.168 2.143 2.206 . 0 0 "[ . 1 . 2]" 1
1934 1 113 ILE HA 1 114 PHE HB3 . . 4.510 4.378 4.307 4.426 . 0 0 "[ . 1 . 2]" 1
1935 1 113 ILE HB 1 113 ILE MD . . 3.200 2.176 2.090 2.295 . 0 0 "[ . 1 . 2]" 1
1936 1 113 ILE HB 1 114 PHE H . . 4.050 4.045 3.971 4.067 0.017 3 0 "[ . 1 . 2]" 1
1937 1 113 ILE MD 1 114 PHE H . . 4.230 3.733 2.580 4.235 0.005 9 0 "[ . 1 . 2]" 1
1938 1 113 ILE QG 1 113 ILE MG . . 3.230 2.133 1.962 2.286 . 0 0 "[ . 1 . 2]" 1
1939 1 113 ILE QG 1 114 PHE H . . 3.640 2.385 2.180 2.566 . 0 0 "[ . 1 . 2]" 1
1940 1 113 ILE QG 1 114 PHE HB3 . . 5.340 4.040 3.906 4.164 . 0 0 "[ . 1 . 2]" 1
1941 1 113 ILE QG 1 115 ILE H . . 5.340 4.150 3.999 4.446 . 0 0 "[ . 1 . 2]" 1
1942 1 113 ILE HG12 1 114 PHE H . . 4.160 3.654 3.072 4.032 . 0 0 "[ . 1 . 2]" 1
1943 1 113 ILE HG13 1 114 PHE H . . 4.160 2.422 2.230 2.634 . 0 0 "[ . 1 . 2]" 1
1944 1 113 ILE MG 1 114 PHE H . . 4.480 4.070 3.838 4.231 . 0 0 "[ . 1 . 2]" 1
1945 1 114 PHE H 1 114 PHE HB2 . . 3.440 2.976 2.849 3.111 . 0 0 "[ . 1 . 2]" 1
1946 1 114 PHE H 1 114 PHE HB3 . . 3.310 2.277 2.207 2.336 . 0 0 "[ . 1 . 2]" 1
1947 1 114 PHE H 1 114 PHE QD . . 4.270 3.959 3.813 4.064 . 0 0 "[ . 1 . 2]" 1
1948 1 114 PHE HA 1 114 PHE QD . . 3.780 3.098 2.966 3.193 . 0 0 "[ . 1 . 2]" 1
1949 1 114 PHE HA 1 115 ILE H . . 3.090 2.140 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
1950 1 114 PHE HA 1 115 ILE MD . . 4.450 4.222 3.912 4.449 . 0 0 "[ . 1 . 2]" 1
1951 1 114 PHE HB2 1 115 ILE H . . 4.240 4.166 4.024 4.242 0.002 19 0 "[ . 1 . 2]" 1
1952 1 114 PHE HB3 1 115 ILE H . . 4.670 4.438 4.399 4.480 . 0 0 "[ . 1 . 2]" 1
1953 1 114 PHE QD 1 115 ILE H . . 4.160 3.786 3.559 3.888 . 0 0 "[ . 1 . 2]" 1
1954 1 114 PHE QD 1 116 PRO QG . . 4.320 4.297 4.194 4.330 0.010 11 0 "[ . 1 . 2]" 1
1955 1 114 PHE QE 1 116 PRO HA . . 3.950 2.347 2.060 3.048 . 0 0 "[ . 1 . 2]" 1
1956 1 114 PHE QE 1 116 PRO HB2 . . 4.600 3.897 3.718 4.007 . 0 0 "[ . 1 . 2]" 1
1957 1 114 PHE QE 1 116 PRO HB3 . . 4.090 2.412 2.127 2.577 . 0 0 "[ . 1 . 2]" 1
1958 1 114 PHE QE 1 116 PRO QG . . 4.310 4.058 3.608 4.250 . 0 0 "[ . 1 . 2]" 1
1959 1 115 ILE H 1 115 ILE HB . . 3.450 2.712 2.665 2.761 . 0 0 "[ . 1 . 2]" 1
1960 1 115 ILE H 1 115 ILE MD . . 3.560 3.245 2.957 3.451 . 0 0 "[ . 1 . 2]" 1
1961 1 115 ILE H 1 115 ILE HG12 . . 4.270 1.947 1.897 2.045 . 0 0 "[ . 1 . 2]" 1
1962 1 115 ILE H 1 115 ILE HG13 . . 3.710 3.451 3.345 3.543 . 0 0 "[ . 1 . 2]" 1
1963 1 115 ILE H 1 115 ILE MG . . 4.140 3.794 3.781 3.808 . 0 0 "[ . 1 . 2]" 1
1964 1 115 ILE H 1 116 PRO HD2 . . 5.040 4.720 4.691 4.741 . 0 0 "[ . 1 . 2]" 1
1965 1 115 ILE H 1 116 PRO QD . . 4.370 4.091 4.037 4.122 . 0 0 "[ . 1 . 2]" 1
1966 1 115 ILE H 1 116 PRO HD3 . . 5.040 4.485 4.403 4.529 . 0 0 "[ . 1 . 2]" 1
1967 1 115 ILE HA 1 115 ILE MD . . 3.250 2.291 2.136 2.413 . 0 0 "[ . 1 . 2]" 1
1968 1 115 ILE HA 1 115 ILE HG12 . . 4.190 3.134 3.029 3.261 . 0 0 "[ . 1 . 2]" 1
1969 1 115 ILE HA 1 115 ILE HG13 . . 4.190 3.863 3.832 3.895 . 0 0 "[ . 1 . 2]" 1
1970 1 115 ILE HA 1 115 ILE MG . . 3.270 2.160 2.096 2.258 . 0 0 "[ . 1 . 2]" 1
1971 1 115 ILE HA 1 116 PRO HD2 . . 3.210 1.931 1.919 1.941 . 0 0 "[ . 1 . 2]" 1
1972 1 115 ILE HA 1 116 PRO HD3 . . 3.210 2.394 2.370 2.428 . 0 0 "[ . 1 . 2]" 1
1973 1 115 ILE HA 1 116 PRO QG . . 4.140 3.766 3.765 3.768 . 0 0 "[ . 1 . 2]" 1
1974 1 115 ILE HB 1 115 ILE MD . . 3.420 3.209 3.196 3.224 . 0 0 "[ . 1 . 2]" 1
1975 1 115 ILE MD 1 116 PRO HD2 . . 4.330 3.363 3.195 3.524 . 0 0 "[ . 1 . 2]" 1
1976 1 115 ILE MD 1 116 PRO QD . . 3.700 3.226 3.075 3.372 . 0 0 "[ . 1 . 2]" 1
1977 1 115 ILE MD 1 116 PRO HD3 . . 4.330 4.149 4.004 4.298 . 0 0 "[ . 1 . 2]" 1
1978 1 115 ILE HG12 1 115 ILE MG . . 3.560 3.187 3.176 3.199 . 0 0 "[ . 1 . 2]" 1
1979 1 115 ILE HG13 1 115 ILE MG . . 3.570 2.408 2.288 2.494 . 0 0 "[ . 1 . 2]" 1
1980 1 115 ILE MG 1 116 PRO HB3 . . 5.430 5.298 5.225 5.417 . 0 0 "[ . 1 . 2]" 1
1981 1 115 ILE MG 1 116 PRO HD2 . . 3.850 2.389 2.240 2.577 . 0 0 "[ . 1 . 2]" 1
1982 1 115 ILE MG 1 116 PRO QD . . 3.350 2.363 2.220 2.540 . 0 0 "[ . 1 . 2]" 1
1983 1 115 ILE MG 1 116 PRO HD3 . . 3.850 3.734 3.629 3.854 0.004 14 0 "[ . 1 . 2]" 1
1984 1 115 ILE MG 1 117 ALA HA . . 4.810 4.408 4.222 4.738 . 0 0 "[ . 1 . 2]" 1
1985 1 116 PRO HA 1 117 ALA MB . . 5.390 3.996 3.936 4.026 . 0 0 "[ . 1 . 2]" 1
1986 1 116 PRO HB2 1 117 ALA H . . 3.650 3.511 2.857 3.650 0.000 2 0 "[ . 1 . 2]" 1
1987 1 116 PRO HB2 1 117 ALA MB . . 4.680 4.565 4.333 4.681 0.001 16 0 "[ . 1 . 2]" 1
1988 1 116 PRO HB3 1 117 ALA H . . 4.090 3.989 3.585 4.081 . 0 0 "[ . 1 . 2]" 1
1989 1 116 PRO HB3 1 117 ALA MB . . 5.490 5.320 5.150 5.413 . 0 0 "[ . 1 . 2]" 1
1990 1 116 PRO QG 1 117 ALA H . . 4.790 4.645 4.324 4.698 . 0 0 "[ . 1 . 2]" 1
1991 1 117 ALA H 1 117 ALA MB . . 2.960 2.186 2.034 2.250 . 0 0 "[ . 1 . 2]" 1
1992 1 117 ALA MB 1 118 HIS H . . 3.980 2.430 1.984 2.752 . 0 0 "[ . 1 . 2]" 1
1993 1 117 ALA MB 1 118 HIS QB . . 4.380 3.939 3.083 4.376 . 0 0 "[ . 1 . 2]" 1
1994 1 118 HIS H 1 118 HIS QB . . 3.650 2.448 2.161 2.854 . 0 0 "[ . 1 . 2]" 1
1995 1 118 HIS HA 1 118 HIS HD2 . . 4.360 3.649 2.407 4.356 . 0 0 "[ . 1 . 2]" 1
1996 1 120 GLY QA 1 121 PRO QD . . 2.840 1.958 1.880 2.169 . 0 0 "[ . 1 . 2]" 1
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