NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420006 |
2ee2   |
10270 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ee2
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 2046
_Distance_constraint_stats_list.Viol_count 371
_Distance_constraint_stats_list.Viol_total 88.353
_Distance_constraint_stats_list.Viol_max 0.093
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0119
_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 7 GLY 0.001 0.001 6 0 "[ . 1 . 2]"
1 8 VAL 0.025 0.014 17 0 "[ . 1 . 2]"
1 9 ALA 0.026 0.014 17 0 "[ . 1 . 2]"
1 10 VAL 0.001 0.001 1 0 "[ . 1 . 2]"
1 11 ILE 0.006 0.003 7 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.007 0.005 9 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.003 0.003 18 0 "[ . 1 . 2]"
1 18 PRO 0.026 0.006 6 0 "[ . 1 . 2]"
1 19 SER 0.012 0.004 16 0 "[ . 1 . 2]"
1 20 GLU 0.002 0.001 14 0 "[ . 1 . 2]"
1 21 ALA 0.023 0.004 20 0 "[ . 1 . 2]"
1 22 PRO 0.008 0.003 20 0 "[ . 1 . 2]"
1 23 THR 0.006 0.004 16 0 "[ . 1 . 2]"
1 24 GLU 0.121 0.025 15 0 "[ . 1 . 2]"
1 25 VAL 0.245 0.048 16 0 "[ . 1 . 2]"
1 26 GLY 0.157 0.048 16 0 "[ . 1 . 2]"
1 27 VAL 0.017 0.008 3 0 "[ . 1 . 2]"
1 28 LYS 0.102 0.043 6 0 "[ . 1 . 2]"
1 29 VAL 0.070 0.025 17 0 "[ . 1 . 2]"
1 30 LEU 0.054 0.025 17 0 "[ . 1 . 2]"
1 31 SER 0.002 0.002 15 0 "[ . 1 . 2]"
1 32 SER 0.015 0.006 6 0 "[ . 1 . 2]"
1 33 SER 0.007 0.004 6 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.005 0.003 6 0 "[ . 1 . 2]"
1 36 SER 0.049 0.015 6 0 "[ . 1 . 2]"
1 37 VAL 0.028 0.012 6 0 "[ . 1 . 2]"
1 38 HIS 0.008 0.004 16 0 "[ . 1 . 2]"
1 39 TRP 0.023 0.011 16 0 "[ . 1 . 2]"
1 40 GLU 0.028 0.006 16 0 "[ . 1 . 2]"
1 41 HIS 0.011 0.006 16 0 "[ . 1 . 2]"
1 42 VAL 0.006 0.002 18 0 "[ . 1 . 2]"
1 43 LEU 0.002 0.002 16 0 "[ . 1 . 2]"
1 44 GLU 0.105 0.087 8 0 "[ . 1 . 2]"
1 45 LYS 0.042 0.021 11 0 "[ . 1 . 2]"
1 46 ILE 0.002 0.002 10 0 "[ . 1 . 2]"
1 47 VAL 0.044 0.011 18 0 "[ . 1 . 2]"
1 48 GLU 0.131 0.093 17 0 "[ . 1 . 2]"
1 49 SER 0.010 0.006 10 0 "[ . 1 . 2]"
1 50 TYR 0.008 0.003 10 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 6 0 "[ . 1 . 2]"
1 52 ILE 0.022 0.010 7 0 "[ . 1 . 2]"
1 53 ARG 0.096 0.047 7 0 "[ . 1 . 2]"
1 54 TYR 0.080 0.047 7 0 "[ . 1 . 2]"
1 55 TRP 0.103 0.059 13 0 "[ . 1 . 2]"
1 56 ALA 0.003 0.001 5 0 "[ . 1 . 2]"
1 57 ALA 0.019 0.007 2 0 "[ . 1 . 2]"
1 58 HIS 0.028 0.007 2 0 "[ . 1 . 2]"
1 59 ASP 0.009 0.003 13 0 "[ . 1 . 2]"
1 60 LYS 0.042 0.023 14 0 "[ . 1 . 2]"
1 61 GLU 0.178 0.031 7 0 "[ . 1 . 2]"
1 62 GLU 0.007 0.007 10 0 "[ . 1 . 2]"
1 63 ALA 0.001 0.001 4 0 "[ . 1 . 2]"
1 64 ALA 0.002 0.002 1 0 "[ . 1 . 2]"
1 65 ASN 0.007 0.007 7 0 "[ . 1 . 2]"
1 66 ARG 0.039 0.022 7 0 "[ . 1 . 2]"
1 67 VAL 0.055 0.031 9 0 "[ . 1 . 2]"
1 68 GLN 0.050 0.031 9 0 "[ . 1 . 2]"
1 69 VAL 0.002 0.001 8 0 "[ . 1 . 2]"
1 70 THR 0.207 0.040 14 0 "[ . 1 . 2]"
1 71 SER 0.207 0.040 14 0 "[ . 1 . 2]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.002 0.001 5 0 "[ . 1 . 2]"
1 74 TYR 0.030 0.007 6 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.003 0.001 14 0 "[ . 1 . 2]"
1 77 ARG 0.002 0.002 3 0 "[ . 1 . 2]"
1 78 LEU 0.006 0.004 16 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.011 0.004 6 0 "[ . 1 . 2]"
1 82 LEU 0.001 0.000 17 0 "[ . 1 . 2]"
1 83 PRO 0.007 0.005 16 0 "[ . 1 . 2]"
1 84 ASP 0.007 0.005 20 0 "[ . 1 . 2]"
1 85 THR 0.013 0.005 13 0 "[ . 1 . 2]"
1 86 GLN 0.007 0.003 12 0 "[ . 1 . 2]"
1 87 TYR 0.008 0.003 13 0 "[ . 1 . 2]"
1 88 PHE 0.027 0.008 16 0 "[ . 1 . 2]"
1 89 ILE 0.017 0.005 12 0 "[ . 1 . 2]"
1 90 GLU 0.035 0.013 6 0 "[ . 1 . 2]"
1 91 VAL 0.051 0.013 6 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 0.015 0.005 16 0 "[ . 1 . 2]"
1 94 CYS 0.004 0.002 6 0 "[ . 1 . 2]"
1 95 ASN 0.130 0.093 17 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.010 0.005 9 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 PRO 0.027 0.004 16 0 "[ . 1 . 2]"
1 102 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.020 0.005 17 0 "[ . 1 . 2]"
1 104 ASP 0.018 0.011 13 0 "[ . 1 . 2]"
1 105 MET 0.128 0.059 13 0 "[ . 1 . 2]"
1 106 ILE 1.036 0.072 7 0 "[ . 1 . 2]"
1 107 GLU 0.033 0.014 12 0 "[ . 1 . 2]"
1 108 ALA 1.307 0.074 5 0 "[ . 1 . 2]"
1 109 PHE 1.500 0.074 5 0 "[ . 1 . 2]"
1 110 THR 0.018 0.004 6 0 "[ . 1 . 2]"
1 111 LYS 0.019 0.006 6 0 "[ . 1 . 2]"
1 112 LYS 0.015 0.011 16 0 "[ . 1 . 2]"
1 113 ALA 0.021 0.011 16 0 "[ . 1 . 2]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 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 7 GLY QA 1 8 VAL H . . 3.540 2.367 2.116 2.608 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 VAL MG1 . . 5.350 4.301 3.392 5.233 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 VAL QG . . 4.610 3.537 3.077 3.962 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 8 VAL MG2 . . 5.350 4.162 3.276 5.230 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 9 ALA MB . . 4.650 4.410 3.619 4.651 0.001 6 0 "[ . 1 . 2]" 1
6 1 8 VAL H 1 8 VAL HB . . 4.030 2.990 2.474 3.775 . 0 0 "[ . 1 . 2]" 1
7 1 8 VAL H 1 8 VAL MG1 . . 4.690 2.924 1.965 3.934 . 0 0 "[ . 1 . 2]" 1
8 1 8 VAL H 1 8 VAL QG . . 4.090 2.169 1.869 2.833 . 0 0 "[ . 1 . 2]" 1
9 1 8 VAL H 1 8 VAL MG2 . . 4.690 2.726 1.883 3.835 . 0 0 "[ . 1 . 2]" 1
10 1 8 VAL HA 1 9 ALA H . . 3.530 2.408 2.141 3.534 0.004 20 0 "[ . 1 . 2]" 1
11 1 8 VAL HB 1 9 ALA MB . . 5.500 5.018 3.878 5.501 0.001 4 0 "[ . 1 . 2]" 1
12 1 8 VAL QG 1 9 ALA H . . 4.490 2.746 2.000 3.732 . 0 0 "[ . 1 . 2]" 1
13 1 8 VAL QG 1 9 ALA HA . . 4.660 3.456 2.952 4.204 . 0 0 "[ . 1 . 2]" 1
14 1 8 VAL MG1 1 9 ALA H . . 5.270 3.391 2.010 4.191 . 0 0 "[ . 1 . 2]" 1
15 1 8 VAL MG1 1 9 ALA HA . . 5.500 4.175 3.073 5.461 . 0 0 "[ . 1 . 2]" 1
16 1 8 VAL MG2 1 9 ALA H . . 5.270 3.461 2.011 4.300 . 0 0 "[ . 1 . 2]" 1
17 1 8 VAL MG2 1 9 ALA HA . . 5.500 4.370 3.143 5.514 0.014 17 0 "[ . 1 . 2]" 1
18 1 9 ALA H 1 10 VAL H . . 4.650 4.118 3.644 4.633 . 0 0 "[ . 1 . 2]" 1
19 1 9 ALA HA 1 10 VAL H . . 3.190 2.218 2.141 2.515 . 0 0 "[ . 1 . 2]" 1
20 1 9 ALA HA 1 10 VAL QG . . 5.440 3.544 3.275 4.007 . 0 0 "[ . 1 . 2]" 1
21 1 9 ALA MB 1 10 VAL H . . 3.690 3.084 2.155 3.606 . 0 0 "[ . 1 . 2]" 1
22 1 10 VAL H 1 10 VAL HB . . 3.780 3.273 2.489 3.781 0.001 1 0 "[ . 1 . 2]" 1
23 1 10 VAL H 1 10 VAL QG . . 3.690 2.092 1.844 2.955 . 0 0 "[ . 1 . 2]" 1
24 1 10 VAL HA 1 11 ILE H . . 2.850 2.211 2.140 2.452 . 0 0 "[ . 1 . 2]" 1
25 1 10 VAL HB 1 11 ILE H . . 4.350 3.474 2.275 4.315 . 0 0 "[ . 1 . 2]" 1
26 1 10 VAL QG 1 11 ILE H . . 4.450 2.935 2.121 3.613 . 0 0 "[ . 1 . 2]" 1
27 1 11 ILE H 1 11 ILE HB . . 3.650 3.063 2.520 3.653 0.003 7 0 "[ . 1 . 2]" 1
28 1 11 ILE H 1 11 ILE HG12 . . 4.160 3.087 1.901 4.079 . 0 0 "[ . 1 . 2]" 1
29 1 11 ILE H 1 11 ILE QG . . 3.610 2.323 1.893 3.252 . 0 0 "[ . 1 . 2]" 1
30 1 11 ILE H 1 11 ILE HG13 . . 4.160 2.777 1.912 4.152 . 0 0 "[ . 1 . 2]" 1
31 1 11 ILE H 1 11 ILE MG . . 4.780 3.191 1.896 3.919 . 0 0 "[ . 1 . 2]" 1
32 1 11 ILE HA 1 11 ILE MD . . 4.430 3.723 2.041 4.170 . 0 0 "[ . 1 . 2]" 1
33 1 11 ILE HA 1 11 ILE QG . . 3.740 2.853 2.300 3.422 . 0 0 "[ . 1 . 2]" 1
34 1 11 ILE HA 1 11 ILE MG . . 3.450 2.357 2.242 2.496 . 0 0 "[ . 1 . 2]" 1
35 1 13 SER HA 1 14 ALA H . . 3.360 2.389 2.139 3.340 . 0 0 "[ . 1 . 2]" 1
36 1 13 SER QB 1 14 ALA H . . 4.280 3.266 2.232 3.990 . 0 0 "[ . 1 . 2]" 1
37 1 13 SER QB 1 14 ALA MB . . 4.570 4.403 4.184 4.566 . 0 0 "[ . 1 . 2]" 1
38 1 14 ALA H 1 14 ALA MB . . 3.360 2.620 2.230 2.841 . 0 0 "[ . 1 . 2]" 1
39 1 14 ALA HA 1 15 GLN H . . 3.300 2.289 2.157 2.500 . 0 0 "[ . 1 . 2]" 1
40 1 14 ALA HA 1 15 GLN QG . . 4.670 3.956 3.496 4.520 . 0 0 "[ . 1 . 2]" 1
41 1 14 ALA HA 1 16 ASP H . . 4.560 4.293 3.844 4.523 . 0 0 "[ . 1 . 2]" 1
42 1 14 ALA HA 1 97 ALA MB . . 4.600 3.095 2.111 3.824 . 0 0 "[ . 1 . 2]" 1
43 1 14 ALA MB 1 15 GLN QB . . 5.340 4.627 4.357 4.855 . 0 0 "[ . 1 . 2]" 1
44 1 14 ALA MB 1 15 GLN QG . . 4.680 3.765 3.406 4.359 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA MB 1 16 ASP H . . 4.480 3.148 2.882 3.540 . 0 0 "[ . 1 . 2]" 1
46 1 14 ALA MB 1 95 ASN QD . . 5.050 4.758 4.277 5.045 . 0 0 "[ . 1 . 2]" 1
47 1 15 GLN H 1 15 GLN QB . . 3.320 2.667 2.482 3.086 . 0 0 "[ . 1 . 2]" 1
48 1 15 GLN H 1 15 GLN QG . . 4.000 2.032 1.892 2.606 . 0 0 "[ . 1 . 2]" 1
49 1 15 GLN H 1 16 ASP H . . 3.560 2.478 1.877 2.863 . 0 0 "[ . 1 . 2]" 1
50 1 15 GLN H 1 97 ALA MB . . 3.670 2.448 1.978 2.790 . 0 0 "[ . 1 . 2]" 1
51 1 15 GLN HA 1 15 GLN QG . . 3.480 3.352 3.320 3.461 . 0 0 "[ . 1 . 2]" 1
52 1 15 GLN HA 1 97 ALA MB . . 4.850 4.722 4.524 4.855 0.005 9 0 "[ . 1 . 2]" 1
53 1 15 GLN QB 1 97 ALA MB . . 4.260 3.942 3.695 4.168 . 0 0 "[ . 1 . 2]" 1
54 1 15 GLN HB2 1 16 ASP H . . 4.280 3.602 3.344 4.005 . 0 0 "[ . 1 . 2]" 1
55 1 15 GLN HB2 1 97 ALA MB . . 4.840 4.675 4.369 4.841 0.001 18 0 "[ . 1 . 2]" 1
56 1 15 GLN HB3 1 16 ASP H . . 4.280 3.896 3.752 4.194 . 0 0 "[ . 1 . 2]" 1
57 1 15 GLN HB3 1 97 ALA MB . . 4.840 4.247 3.977 4.553 . 0 0 "[ . 1 . 2]" 1
58 1 15 GLN QG 1 16 ASP H . . 4.250 1.984 1.797 2.534 . 0 0 "[ . 1 . 2]" 1
59 1 15 GLN QG 1 46 ILE MG . . 4.640 4.295 3.788 4.631 . 0 0 "[ . 1 . 2]" 1
60 1 15 GLN QG 1 95 ASN QD . . 4.480 3.549 2.957 4.200 . 0 0 "[ . 1 . 2]" 1
61 1 15 GLN QG 1 97 ALA MB . . 4.140 2.278 1.912 2.896 . 0 0 "[ . 1 . 2]" 1
62 1 16 ASP H 1 16 ASP HB2 . . 4.000 3.141 2.748 3.834 . 0 0 "[ . 1 . 2]" 1
63 1 16 ASP H 1 16 ASP QB . . 3.250 2.898 2.690 3.222 . 0 0 "[ . 1 . 2]" 1
64 1 16 ASP H 1 16 ASP HB3 . . 4.000 3.566 3.159 3.979 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASP H 1 17 ALA H . . 4.680 4.369 4.341 4.422 . 0 0 "[ . 1 . 2]" 1
66 1 16 ASP H 1 97 ALA MB . . 4.380 2.487 2.179 2.721 . 0 0 "[ . 1 . 2]" 1
67 1 16 ASP QB 1 17 ALA H . . 3.270 2.466 1.941 2.970 . 0 0 "[ . 1 . 2]" 1
68 1 16 ASP QB 1 17 ALA MB . . 4.590 4.304 4.066 4.494 . 0 0 "[ . 1 . 2]" 1
69 1 16 ASP QB 1 46 ILE MD . . 4.020 2.276 1.802 3.189 . 0 0 "[ . 1 . 2]" 1
70 1 16 ASP QB 1 97 ALA MB . . 4.450 3.954 3.361 4.281 . 0 0 "[ . 1 . 2]" 1
71 1 16 ASP HB2 1 17 ALA H . . 3.950 3.524 2.110 3.946 . 0 0 "[ . 1 . 2]" 1
72 1 16 ASP HB2 1 46 ILE MD . . 4.670 3.198 1.812 4.662 . 0 0 "[ . 1 . 2]" 1
73 1 16 ASP HB2 1 97 ALA MB . . 5.140 4.465 3.486 4.993 . 0 0 "[ . 1 . 2]" 1
74 1 16 ASP HB3 1 17 ALA H . . 3.950 2.648 1.951 3.531 . 0 0 "[ . 1 . 2]" 1
75 1 16 ASP HB3 1 46 ILE MD . . 4.670 2.488 1.908 3.558 . 0 0 "[ . 1 . 2]" 1
76 1 16 ASP HB3 1 97 ALA MB . . 5.140 4.580 4.110 5.087 . 0 0 "[ . 1 . 2]" 1
77 1 17 ALA H 1 17 ALA MB . . 2.880 2.712 2.493 2.860 . 0 0 "[ . 1 . 2]" 1
78 1 17 ALA HA 1 18 PRO HD2 . . 4.030 2.256 2.154 2.324 . 0 0 "[ . 1 . 2]" 1
79 1 17 ALA HA 1 18 PRO QD . . 3.470 2.012 1.960 2.048 . 0 0 "[ . 1 . 2]" 1
80 1 17 ALA HA 1 18 PRO HD3 . . 4.030 2.261 2.253 2.275 . 0 0 "[ . 1 . 2]" 1
81 1 17 ALA HA 1 95 ASN QD . . 3.710 2.673 1.911 3.209 . 0 0 "[ . 1 . 2]" 1
82 1 17 ALA HA 1 97 ALA MB . . 3.830 3.671 3.526 3.827 . 0 0 "[ . 1 . 2]" 1
83 1 17 ALA MB 1 18 PRO QD . . 4.010 2.282 2.081 2.553 . 0 0 "[ . 1 . 2]" 1
84 1 17 ALA MB 1 95 ASN QD . . 4.530 3.996 3.416 4.428 . 0 0 "[ . 1 . 2]" 1
85 1 17 ALA MB 1 97 ALA MB . . 4.190 3.924 3.563 4.193 0.003 18 0 "[ . 1 . 2]" 1
86 1 17 ALA MB 1 98 GLY H . . 4.390 3.599 3.125 3.961 . 0 0 "[ . 1 . 2]" 1
87 1 17 ALA MB 1 98 GLY HA2 . . 4.670 3.409 2.978 3.602 . 0 0 "[ . 1 . 2]" 1
88 1 17 ALA MB 1 98 GLY QA . . 4.070 1.994 1.849 2.158 . 0 0 "[ . 1 . 2]" 1
89 1 17 ALA MB 1 98 GLY HA3 . . 4.670 2.008 1.862 2.178 . 0 0 "[ . 1 . 2]" 1
90 1 17 ALA MB 1 99 CYS H . . 4.330 3.676 2.854 4.091 . 0 0 "[ . 1 . 2]" 1
91 1 18 PRO HA 1 19 SER HA . . 5.300 4.407 4.399 4.420 . 0 0 "[ . 1 . 2]" 1
92 1 18 PRO HA 1 20 GLU H . . 4.430 3.640 3.390 3.892 . 0 0 "[ . 1 . 2]" 1
93 1 18 PRO HA 1 43 LEU MD1 . . 5.500 5.309 4.749 5.502 0.002 16 0 "[ . 1 . 2]" 1
94 1 18 PRO HA 1 46 ILE MD . . 3.450 2.888 2.021 3.436 . 0 0 "[ . 1 . 2]" 1
95 1 18 PRO HA 1 46 ILE QG . . 4.690 3.676 3.381 4.112 . 0 0 "[ . 1 . 2]" 1
96 1 18 PRO HA 1 47 VAL MG1 . . 4.590 3.879 3.464 4.264 . 0 0 "[ . 1 . 2]" 1
97 1 18 PRO HB2 1 47 VAL MG1 . . 3.670 3.607 3.293 3.676 0.006 6 0 "[ . 1 . 2]" 1
98 1 18 PRO HB3 1 46 ILE MD . . 3.880 3.285 2.609 3.870 . 0 0 "[ . 1 . 2]" 1
99 1 18 PRO HB3 1 46 ILE QG . . 4.680 3.829 3.184 4.510 . 0 0 "[ . 1 . 2]" 1
100 1 18 PRO HB3 1 47 VAL HA . . 5.210 4.316 4.038 4.587 . 0 0 "[ . 1 . 2]" 1
101 1 18 PRO HB3 1 47 VAL HB . . 5.310 4.788 4.452 5.221 . 0 0 "[ . 1 . 2]" 1
102 1 18 PRO HB3 1 47 VAL MG1 . . 3.700 2.455 2.242 2.679 . 0 0 "[ . 1 . 2]" 1
103 1 18 PRO HB3 1 47 VAL MG2 . . 5.500 5.108 4.798 5.277 . 0 0 "[ . 1 . 2]" 1
104 1 18 PRO HB3 1 93 ALA MB . . 3.980 3.858 3.413 3.985 0.005 16 0 "[ . 1 . 2]" 1
105 1 18 PRO QD 1 95 ASN QD . . 4.470 2.949 2.034 3.703 . 0 0 "[ . 1 . 2]" 1
106 1 18 PRO QD 1 100 GLY H . . 4.410 4.174 3.529 4.406 . 0 0 "[ . 1 . 2]" 1
107 1 18 PRO QD 1 100 GLY QA . . 4.140 3.609 3.365 3.829 . 0 0 "[ . 1 . 2]" 1
108 1 18 PRO HD2 1 95 ASN H . . 4.750 3.884 3.304 4.370 . 0 0 "[ . 1 . 2]" 1
109 1 18 PRO HD3 1 95 ASN H . . 4.750 3.033 2.427 3.448 . 0 0 "[ . 1 . 2]" 1
110 1 18 PRO QG 1 47 VAL MG1 . . 3.950 3.414 2.758 3.866 . 0 0 "[ . 1 . 2]" 1
111 1 18 PRO QG 1 100 GLY H . . 4.350 2.993 2.735 3.421 . 0 0 "[ . 1 . 2]" 1
112 1 19 SER HA 1 101 PRO HD2 . . 4.340 3.898 3.403 4.098 . 0 0 "[ . 1 . 2]" 1
113 1 19 SER HA 1 101 PRO QD . . 3.700 3.582 3.203 3.704 0.004 16 0 "[ . 1 . 2]" 1
114 1 19 SER HA 1 101 PRO HD3 . . 4.340 4.193 3.848 4.342 0.002 9 0 "[ . 1 . 2]" 1
115 1 20 GLU H 1 20 GLU QB . . 3.650 2.381 2.286 2.659 . 0 0 "[ . 1 . 2]" 1
116 1 20 GLU H 1 20 GLU HG2 . . 4.900 4.610 3.721 4.848 . 0 0 "[ . 1 . 2]" 1
117 1 20 GLU H 1 20 GLU QG . . 4.310 4.013 3.438 4.106 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLU H 1 20 GLU HG3 . . 4.900 4.432 4.042 4.679 . 0 0 "[ . 1 . 2]" 1
119 1 20 GLU H 1 43 LEU MD1 . . 4.530 4.042 3.413 4.475 . 0 0 "[ . 1 . 2]" 1
120 1 20 GLU H 1 44 GLU QG . . 5.040 3.057 2.147 4.315 . 0 0 "[ . 1 . 2]" 1
121 1 20 GLU HA 1 20 GLU QG . . 3.390 2.803 2.316 3.391 0.001 14 0 "[ . 1 . 2]" 1
122 1 20 GLU HA 1 21 ALA H . . 3.040 2.248 2.163 2.514 . 0 0 "[ . 1 . 2]" 1
123 1 20 GLU QB 1 42 VAL HB . . 4.110 2.812 2.029 3.855 . 0 0 "[ . 1 . 2]" 1
124 1 20 GLU QB 1 43 LEU MD1 . . 3.220 2.822 2.081 3.218 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLU HB2 1 21 ALA H . . 4.180 3.974 2.469 4.175 . 0 0 "[ . 1 . 2]" 1
126 1 20 GLU HB2 1 43 LEU MD1 . . 3.700 3.160 2.129 3.680 . 0 0 "[ . 1 . 2]" 1
127 1 20 GLU HB3 1 21 ALA H . . 4.180 3.918 3.692 4.181 0.001 9 0 "[ . 1 . 2]" 1
128 1 20 GLU HB3 1 43 LEU MD1 . . 3.700 3.259 2.411 3.643 . 0 0 "[ . 1 . 2]" 1
129 1 20 GLU QG 1 21 ALA H . . 4.390 2.400 1.894 3.105 . 0 0 "[ . 1 . 2]" 1
130 1 20 GLU QG 1 21 ALA MB . . 4.440 4.039 3.718 4.317 . 0 0 "[ . 1 . 2]" 1
131 1 20 GLU QG 1 42 VAL HA . . 5.030 3.570 2.605 4.692 . 0 0 "[ . 1 . 2]" 1
132 1 20 GLU QG 1 42 VAL MG1 . . 3.570 2.849 2.193 3.446 . 0 0 "[ . 1 . 2]" 1
133 1 20 GLU QG 1 43 LEU MD1 . . 4.530 3.930 2.592 4.520 . 0 0 "[ . 1 . 2]" 1
134 1 21 ALA H 1 21 ALA MB . . 3.290 2.372 2.177 2.618 . 0 0 "[ . 1 . 2]" 1
135 1 21 ALA HA 1 22 PRO HD2 . . 3.720 2.315 2.260 2.328 . 0 0 "[ . 1 . 2]" 1
136 1 21 ALA HA 1 22 PRO HD3 . . 3.830 2.272 2.260 2.276 . 0 0 "[ . 1 . 2]" 1
137 1 21 ALA HA 1 22 PRO HG2 . . 4.950 4.443 4.400 4.455 . 0 0 "[ . 1 . 2]" 1
138 1 21 ALA HA 1 22 PRO HG3 . . 5.300 4.423 4.395 4.431 . 0 0 "[ . 1 . 2]" 1
139 1 21 ALA MB 1 22 PRO HD2 . . 3.490 2.241 2.084 2.368 . 0 0 "[ . 1 . 2]" 1
140 1 21 ALA MB 1 22 PRO HD3 . . 3.770 3.381 3.318 3.468 . 0 0 "[ . 1 . 2]" 1
141 1 21 ALA MB 1 101 PRO HB2 . . 3.990 3.804 3.346 3.987 . 0 0 "[ . 1 . 2]" 1
142 1 21 ALA MB 1 101 PRO HB3 . . 5.210 5.040 4.513 5.214 0.004 20 0 "[ . 1 . 2]" 1
143 1 21 ALA MB 1 101 PRO HG2 . . 4.560 2.789 2.187 3.065 . 0 0 "[ . 1 . 2]" 1
144 1 21 ALA MB 1 101 PRO QG . . 3.760 2.747 2.168 3.006 . 0 0 "[ . 1 . 2]" 1
145 1 21 ALA MB 1 101 PRO HG3 . . 4.560 4.145 3.557 4.433 . 0 0 "[ . 1 . 2]" 1
146 1 21 ALA MB 1 103 SER H . . 4.550 4.438 4.174 4.553 0.003 9 0 "[ . 1 . 2]" 1
147 1 21 ALA MB 1 103 SER HA . . 3.120 3.014 2.857 3.117 . 0 0 "[ . 1 . 2]" 1
148 1 21 ALA MB 1 103 SER HB2 . . 4.510 4.163 3.700 4.495 . 0 0 "[ . 1 . 2]" 1
149 1 21 ALA MB 1 103 SER HB3 . . 4.440 3.635 3.131 3.920 . 0 0 "[ . 1 . 2]" 1
150 1 22 PRO HA 1 23 THR H . . 3.250 2.209 2.155 2.269 . 0 0 "[ . 1 . 2]" 1
151 1 22 PRO HA 1 39 TRP HD1 . . 5.080 4.811 4.578 5.069 . 0 0 "[ . 1 . 2]" 1
152 1 22 PRO HA 1 42 VAL MG1 . . 3.370 2.543 1.970 2.949 . 0 0 "[ . 1 . 2]" 1
153 1 22 PRO HB2 1 23 THR H . . 4.340 3.960 3.754 4.101 . 0 0 "[ . 1 . 2]" 1
154 1 22 PRO HB2 1 25 VAL QG . . 4.180 3.460 2.409 4.121 . 0 0 "[ . 1 . 2]" 1
155 1 22 PRO HB2 1 39 TRP HB2 . . 4.520 2.330 2.039 2.698 . 0 0 "[ . 1 . 2]" 1
156 1 22 PRO HB2 1 39 TRP HB3 . . 4.650 3.804 3.429 4.201 . 0 0 "[ . 1 . 2]" 1
157 1 22 PRO HB2 1 39 TRP HD1 . . 4.090 3.433 3.155 3.891 . 0 0 "[ . 1 . 2]" 1
158 1 22 PRO HB2 1 42 VAL MG1 . . 4.560 3.939 3.365 4.338 . 0 0 "[ . 1 . 2]" 1
159 1 22 PRO HB2 1 91 VAL HB . . 5.000 4.304 3.432 4.810 . 0 0 "[ . 1 . 2]" 1
160 1 22 PRO HB2 1 91 VAL MG1 . . 4.500 3.659 3.242 4.193 . 0 0 "[ . 1 . 2]" 1
161 1 22 PRO HB2 1 103 SER HB3 . . 4.680 4.298 3.657 4.620 . 0 0 "[ . 1 . 2]" 1
162 1 22 PRO HB3 1 23 THR H . . 4.430 4.308 4.153 4.418 . 0 0 "[ . 1 . 2]" 1
163 1 22 PRO HB3 1 39 TRP HB2 . . 4.190 3.442 2.913 3.875 . 0 0 "[ . 1 . 2]" 1
164 1 22 PRO HB3 1 39 TRP HB3 . . 5.500 4.991 4.521 5.414 . 0 0 "[ . 1 . 2]" 1
165 1 22 PRO HB3 1 39 TRP HD1 . . 3.900 3.055 2.533 3.598 . 0 0 "[ . 1 . 2]" 1
166 1 22 PRO HB3 1 42 VAL MG1 . . 3.660 2.578 2.029 3.003 . 0 0 "[ . 1 . 2]" 1
167 1 22 PRO HB3 1 50 TYR QE . . 4.410 3.025 2.225 3.815 . 0 0 "[ . 1 . 2]" 1
168 1 22 PRO HB3 1 91 VAL MG1 . . 4.600 4.046 3.619 4.386 . 0 0 "[ . 1 . 2]" 1
169 1 22 PRO HB3 1 93 ALA MB . . 4.770 4.024 3.550 4.678 . 0 0 "[ . 1 . 2]" 1
170 1 22 PRO HD2 1 25 VAL QG . . 5.440 5.128 4.800 5.399 . 0 0 "[ . 1 . 2]" 1
171 1 22 PRO HD2 1 91 VAL MG1 . . 5.220 4.866 4.180 5.223 0.003 20 0 "[ . 1 . 2]" 1
172 1 22 PRO HD2 1 93 ALA MB . . 4.440 4.091 3.631 4.437 . 0 0 "[ . 1 . 2]" 1
173 1 22 PRO HD2 1 103 SER H . . 4.530 4.422 4.148 4.531 0.001 12 0 "[ . 1 . 2]" 1
174 1 22 PRO HD2 1 103 SER HB3 . . 4.350 3.075 2.671 3.531 . 0 0 "[ . 1 . 2]" 1
175 1 22 PRO HD3 1 42 VAL MG1 . . 4.600 2.338 2.041 2.669 . 0 0 "[ . 1 . 2]" 1
176 1 22 PRO HD3 1 42 VAL MG2 . . 5.040 4.071 3.309 4.782 . 0 0 "[ . 1 . 2]" 1
177 1 22 PRO HD3 1 93 ALA MB . . 4.340 2.849 2.379 3.209 . 0 0 "[ . 1 . 2]" 1
178 1 22 PRO HG2 1 25 VAL QG . . 4.610 3.635 3.289 4.030 . 0 0 "[ . 1 . 2]" 1
179 1 22 PRO HG2 1 91 VAL HB . . 5.370 3.692 2.964 4.147 . 0 0 "[ . 1 . 2]" 1
180 1 22 PRO HG2 1 91 VAL MG1 . . 4.370 3.399 2.864 3.889 . 0 0 "[ . 1 . 2]" 1
181 1 22 PRO HG2 1 91 VAL MG2 . . 5.500 5.099 4.506 5.494 . 0 0 "[ . 1 . 2]" 1
182 1 22 PRO HG2 1 103 SER HA . . 4.840 4.397 4.005 4.585 . 0 0 "[ . 1 . 2]" 1
183 1 22 PRO HG2 1 103 SER HB2 . . 4.700 3.460 2.970 3.821 . 0 0 "[ . 1 . 2]" 1
184 1 22 PRO HG2 1 103 SER HB3 . . 4.460 2.302 2.001 2.558 . 0 0 "[ . 1 . 2]" 1
185 1 22 PRO HG3 1 42 VAL MG1 . . 3.910 3.539 3.249 3.910 . 19 0 "[ . 1 . 2]" 1
186 1 22 PRO HG3 1 50 TYR QD . . 4.620 3.039 2.740 3.547 . 0 0 "[ . 1 . 2]" 1
187 1 22 PRO HG3 1 50 TYR QE . . 3.660 3.282 2.709 3.637 . 0 0 "[ . 1 . 2]" 1
188 1 22 PRO HG3 1 91 VAL HB . . 5.500 4.164 3.493 4.631 . 0 0 "[ . 1 . 2]" 1
189 1 22 PRO HG3 1 91 VAL MG1 . . 3.950 2.866 2.225 3.182 . 0 0 "[ . 1 . 2]" 1
190 1 22 PRO HG3 1 91 VAL MG2 . . 5.500 5.245 4.609 5.501 0.001 13 0 "[ . 1 . 2]" 1
191 1 22 PRO HG3 1 93 ALA MB . . 3.450 3.283 2.942 3.451 0.001 15 0 "[ . 1 . 2]" 1
192 1 23 THR H 1 23 THR MG . . 3.950 3.781 3.726 3.860 . 0 0 "[ . 1 . 2]" 1
193 1 23 THR H 1 24 GLU H . . 4.610 4.525 4.481 4.556 . 0 0 "[ . 1 . 2]" 1
194 1 23 THR H 1 40 GLU H . . 4.670 4.514 4.018 4.670 . 7 0 "[ . 1 . 2]" 1
195 1 23 THR H 1 40 GLU HB2 . . 4.840 4.595 4.237 4.844 0.004 16 0 "[ . 1 . 2]" 1
196 1 23 THR H 1 40 GLU QB . . 4.260 3.330 2.907 3.850 . 0 0 "[ . 1 . 2]" 1
197 1 23 THR H 1 40 GLU HB3 . . 4.840 3.427 2.949 4.040 . 0 0 "[ . 1 . 2]" 1
198 1 23 THR H 1 42 VAL MG1 . . 4.430 4.119 3.504 4.399 . 0 0 "[ . 1 . 2]" 1
199 1 23 THR HA 1 23 THR MG . . 3.010 2.055 2.032 2.102 . 0 0 "[ . 1 . 2]" 1
200 1 23 THR HA 1 24 GLU H . . 3.260 2.549 2.465 2.599 . 0 0 "[ . 1 . 2]" 1
201 1 23 THR HA 1 24 GLU HA . . 4.680 4.592 4.552 4.631 . 0 0 "[ . 1 . 2]" 1
202 1 23 THR HA 1 25 VAL H . . 3.980 3.465 3.172 3.716 . 0 0 "[ . 1 . 2]" 1
203 1 23 THR HA 1 25 VAL QG . . 4.100 3.352 3.037 3.724 . 0 0 "[ . 1 . 2]" 1
204 1 23 THR HB 1 24 GLU H . . 3.090 2.902 2.779 3.089 . 0 0 "[ . 1 . 2]" 1
205 1 23 THR HB 1 24 GLU HA . . 4.780 4.632 4.534 4.753 . 0 0 "[ . 1 . 2]" 1
206 1 23 THR HB 1 24 GLU QG . . 3.760 2.954 2.157 3.367 . 0 0 "[ . 1 . 2]" 1
207 1 23 THR HB 1 25 VAL H . . 5.360 5.154 4.885 5.352 . 0 0 "[ . 1 . 2]" 1
208 1 23 THR MG 1 24 GLU H . . 3.600 1.841 1.805 1.883 . 0 0 "[ . 1 . 2]" 1
209 1 23 THR MG 1 24 GLU HA . . 4.500 3.547 3.460 3.661 . 0 0 "[ . 1 . 2]" 1
210 1 23 THR MG 1 24 GLU QB . . 4.910 3.869 3.644 3.974 . 0 0 "[ . 1 . 2]" 1
211 1 23 THR MG 1 24 GLU HG2 . . 4.410 3.588 2.535 4.268 . 0 0 "[ . 1 . 2]" 1
212 1 23 THR MG 1 24 GLU QG . . 3.840 2.816 2.503 3.134 . 0 0 "[ . 1 . 2]" 1
213 1 23 THR MG 1 24 GLU HG3 . . 4.410 3.058 2.664 4.151 . 0 0 "[ . 1 . 2]" 1
214 1 23 THR MG 1 25 VAL H . . 4.860 3.930 3.751 4.133 . 0 0 "[ . 1 . 2]" 1
215 1 24 GLU H 1 24 GLU HG2 . . 3.980 3.374 2.511 3.965 . 0 0 "[ . 1 . 2]" 1
216 1 24 GLU H 1 24 GLU HG3 . . 3.980 3.171 2.714 3.991 0.011 15 0 "[ . 1 . 2]" 1
217 1 24 GLU H 1 25 VAL H . . 3.270 2.793 2.655 3.097 . 0 0 "[ . 1 . 2]" 1
218 1 24 GLU HA 1 24 GLU HG2 . . 3.720 2.443 2.218 3.600 . 0 0 "[ . 1 . 2]" 1
219 1 24 GLU HA 1 24 GLU HG3 . . 3.720 3.179 2.723 3.745 0.025 15 0 "[ . 1 . 2]" 1
220 1 24 GLU HA 1 25 VAL H . . 3.080 2.797 2.661 2.965 . 0 0 "[ . 1 . 2]" 1
221 1 24 GLU HA 1 25 VAL HB . . 5.500 5.322 4.971 5.505 0.005 6 0 "[ . 1 . 2]" 1
222 1 24 GLU HA 1 25 VAL QG . . 4.600 4.296 4.056 4.619 0.019 18 0 "[ . 1 . 2]" 1
223 1 24 GLU QB 1 25 VAL H . . 4.320 3.852 3.742 3.988 . 0 0 "[ . 1 . 2]" 1
224 1 25 VAL H 1 25 VAL HB . . 3.030 2.740 2.300 3.030 . 0 0 "[ . 1 . 2]" 1
225 1 25 VAL H 1 25 VAL QG . . 2.920 2.136 1.874 2.664 . 0 0 "[ . 1 . 2]" 1
226 1 25 VAL H 1 26 GLY HA2 . . 5.500 5.272 5.086 5.434 . 0 0 "[ . 1 . 2]" 1
227 1 25 VAL H 1 106 ILE MD . . 4.210 3.738 2.745 4.179 . 0 0 "[ . 1 . 2]" 1
228 1 25 VAL HA 1 26 GLY HA2 . . 5.180 4.421 4.392 4.492 . 0 0 "[ . 1 . 2]" 1
229 1 25 VAL HA 1 39 TRP HA . . 4.050 2.311 2.002 2.674 . 0 0 "[ . 1 . 2]" 1
230 1 25 VAL HA 1 39 TRP HB2 . . 4.600 3.873 3.526 4.375 . 0 0 "[ . 1 . 2]" 1
231 1 25 VAL HA 1 39 TRP HB3 . . 4.480 3.627 3.085 4.277 . 0 0 "[ . 1 . 2]" 1
232 1 25 VAL HA 1 106 ILE MD . . 4.590 4.173 3.666 4.562 . 0 0 "[ . 1 . 2]" 1
233 1 25 VAL HB 1 26 GLY H . . 4.430 4.081 3.787 4.386 . 0 0 "[ . 1 . 2]" 1
234 1 25 VAL HB 1 39 TRP HA . . 4.550 3.585 2.886 4.561 0.011 16 0 "[ . 1 . 2]" 1
235 1 25 VAL HB 1 91 VAL HB . . 4.650 4.020 3.435 4.648 . 0 0 "[ . 1 . 2]" 1
236 1 25 VAL HB 1 91 VAL MG2 . . 5.270 4.417 4.082 5.086 . 0 0 "[ . 1 . 2]" 1
237 1 25 VAL HB 1 103 SER HB3 . . 5.500 4.834 4.534 5.244 . 0 0 "[ . 1 . 2]" 1
238 1 25 VAL HB 1 106 ILE MD . . 4.490 3.594 1.868 4.328 . 0 0 "[ . 1 . 2]" 1
239 1 25 VAL QG 1 26 GLY H . . 3.400 2.298 1.809 3.052 . 0 0 "[ . 1 . 2]" 1
240 1 25 VAL QG 1 26 GLY HA2 . . 4.470 3.263 3.015 3.474 . 0 0 "[ . 1 . 2]" 1
241 1 25 VAL QG 1 26 GLY HA3 . . 4.400 3.910 3.606 4.229 . 0 0 "[ . 1 . 2]" 1
242 1 25 VAL QG 1 39 TRP HA . . 4.350 2.789 1.947 3.383 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL QG 1 39 TRP HB2 . . 4.070 2.830 2.016 3.388 . 0 0 "[ . 1 . 2]" 1
244 1 25 VAL QG 1 39 TRP HB3 . . 4.000 2.113 1.879 2.563 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL QG 1 40 GLU H . . 4.690 3.797 2.424 4.415 . 0 0 "[ . 1 . 2]" 1
246 1 25 VAL QG 1 89 ILE MG . . 4.360 3.929 3.639 4.184 . 0 0 "[ . 1 . 2]" 1
247 1 25 VAL QG 1 90 GLU HA . . 4.660 4.061 3.725 4.609 . 0 0 "[ . 1 . 2]" 1
248 1 25 VAL QG 1 91 VAL H . . 4.250 3.200 2.895 3.692 . 0 0 "[ . 1 . 2]" 1
249 1 25 VAL QG 1 91 VAL HB . . 3.420 2.303 2.116 2.568 . 0 0 "[ . 1 . 2]" 1
250 1 25 VAL QG 1 91 VAL MG1 . . 4.410 3.191 2.622 3.546 . 0 0 "[ . 1 . 2]" 1
251 1 25 VAL QG 1 91 VAL MG2 . . 3.250 2.308 2.049 2.750 . 0 0 "[ . 1 . 2]" 1
252 1 25 VAL QG 1 103 SER HA . . 4.690 4.545 4.043 4.695 0.005 17 0 "[ . 1 . 2]" 1
253 1 25 VAL QG 1 103 SER HB2 . . 3.530 2.625 2.071 2.880 . 0 0 "[ . 1 . 2]" 1
254 1 25 VAL QG 1 103 SER HB3 . . 3.800 3.447 3.146 3.774 . 0 0 "[ . 1 . 2]" 1
255 1 25 VAL QG 1 103 SER HG . . 4.060 3.175 2.135 3.938 . 0 0 "[ . 1 . 2]" 1
256 1 25 VAL QG 1 106 ILE HB . . 4.480 3.865 3.601 4.071 . 0 0 "[ . 1 . 2]" 1
257 1 25 VAL QG 1 106 ILE MD . . 3.030 1.811 1.669 1.999 . 0 0 "[ . 1 . 2]" 1
258 1 25 VAL MG1 1 26 GLY HA3 . . 5.500 4.652 3.655 5.163 . 0 0 "[ . 1 . 2]" 1
259 1 25 VAL MG1 1 91 VAL HB . . 4.040 3.663 2.914 4.043 0.003 9 0 "[ . 1 . 2]" 1
260 1 25 VAL MG1 1 106 ILE MD . . 3.560 1.889 1.768 2.132 . 0 0 "[ . 1 . 2]" 1
261 1 25 VAL MG2 1 26 GLY HA3 . . 5.500 4.549 3.845 5.548 0.048 16 0 "[ . 1 . 2]" 1
262 1 25 VAL MG2 1 91 VAL HB . . 4.040 2.338 2.125 2.597 . 0 0 "[ . 1 . 2]" 1
263 1 25 VAL MG2 1 106 ILE MD . . 3.560 2.602 1.856 3.512 . 0 0 "[ . 1 . 2]" 1
264 1 26 GLY H 1 27 VAL H . . 4.640 4.441 4.367 4.491 . 0 0 "[ . 1 . 2]" 1
265 1 26 GLY H 1 27 VAL MG1 . . 4.770 4.355 4.012 4.627 . 0 0 "[ . 1 . 2]" 1
266 1 26 GLY H 1 39 TRP H . . 5.260 5.026 4.649 5.252 . 0 0 "[ . 1 . 2]" 1
267 1 26 GLY H 1 39 TRP HA . . 4.200 3.459 3.021 3.963 . 0 0 "[ . 1 . 2]" 1
268 1 26 GLY H 1 39 TRP HB3 . . 4.660 4.395 4.182 4.612 . 0 0 "[ . 1 . 2]" 1
269 1 26 GLY H 1 106 ILE MD . . 4.500 3.867 3.334 4.414 . 0 0 "[ . 1 . 2]" 1
270 1 26 GLY HA2 1 27 VAL H . . 2.960 2.455 2.243 2.673 . 0 0 "[ . 1 . 2]" 1
271 1 26 GLY HA2 1 27 VAL MG2 . . 4.290 3.572 3.233 3.868 . 0 0 "[ . 1 . 2]" 1
272 1 26 GLY HA2 1 106 ILE MD . . 3.610 2.488 1.994 3.134 . 0 0 "[ . 1 . 2]" 1
273 1 26 GLY HA3 1 27 VAL H . . 3.070 2.685 2.458 2.958 . 0 0 "[ . 1 . 2]" 1
274 1 26 GLY HA3 1 27 VAL MG1 . . 5.300 4.388 4.146 4.882 . 0 0 "[ . 1 . 2]" 1
275 1 26 GLY HA3 1 27 VAL MG2 . . 4.430 4.345 4.220 4.430 . 6 0 "[ . 1 . 2]" 1
276 1 26 GLY HA3 1 106 ILE MD . . 4.590 3.972 3.588 4.376 . 0 0 "[ . 1 . 2]" 1
277 1 27 VAL H 1 27 VAL HB . . 4.020 3.829 3.651 3.927 . 0 0 "[ . 1 . 2]" 1
278 1 27 VAL H 1 27 VAL MG1 . . 3.900 3.102 2.844 3.243 . 0 0 "[ . 1 . 2]" 1
279 1 27 VAL H 1 27 VAL MG2 . . 3.020 2.066 1.867 2.284 . 0 0 "[ . 1 . 2]" 1
280 1 27 VAL H 1 28 LYS H . . 4.520 4.268 4.117 4.476 . 0 0 "[ . 1 . 2]" 1
281 1 27 VAL H 1 106 ILE MD . . 4.470 3.990 3.469 4.429 . 0 0 "[ . 1 . 2]" 1
282 1 27 VAL HA 1 27 VAL MG1 . . 3.310 2.262 2.078 2.392 . 0 0 "[ . 1 . 2]" 1
283 1 27 VAL HA 1 28 LYS H . . 2.930 2.163 2.139 2.281 . 0 0 "[ . 1 . 2]" 1
284 1 27 VAL HA 1 35 ILE MG . . 4.390 3.896 3.636 4.275 . 0 0 "[ . 1 . 2]" 1
285 1 27 VAL HA 1 36 SER H . . 5.210 5.026 4.660 5.218 0.008 3 0 "[ . 1 . 2]" 1
286 1 27 VAL HA 1 37 VAL HA . . 3.430 2.415 2.144 2.666 . 0 0 "[ . 1 . 2]" 1
287 1 27 VAL HA 1 37 VAL MG1 . . 4.240 3.584 3.305 3.972 . 0 0 "[ . 1 . 2]" 1
288 1 27 VAL HA 1 37 VAL MG2 . . 4.530 3.438 2.934 3.772 . 0 0 "[ . 1 . 2]" 1
289 1 27 VAL HA 1 38 HIS H . . 3.910 3.168 2.645 3.526 . 0 0 "[ . 1 . 2]" 1
290 1 27 VAL HA 1 38 HIS HD2 . . 4.430 3.601 3.112 4.106 . 0 0 "[ . 1 . 2]" 1
291 1 27 VAL HB 1 28 LYS H . . 3.790 3.223 2.697 3.429 . 0 0 "[ . 1 . 2]" 1
292 1 27 VAL HB 1 28 LYS HA . . 5.050 4.641 4.425 4.777 . 0 0 "[ . 1 . 2]" 1
293 1 27 VAL HB 1 29 VAL QG . . 5.050 4.313 4.017 4.601 . 0 0 "[ . 1 . 2]" 1
294 1 27 VAL HB 1 35 ILE MD . . 4.900 4.543 4.147 4.769 . 0 0 "[ . 1 . 2]" 1
295 1 27 VAL HB 1 35 ILE MG . . 3.330 2.678 2.312 3.078 . 0 0 "[ . 1 . 2]" 1
296 1 27 VAL HB 1 37 VAL HA . . 4.490 4.027 3.346 4.432 . 0 0 "[ . 1 . 2]" 1
297 1 27 VAL HB 1 37 VAL MG1 . . 5.310 4.404 3.937 4.904 . 0 0 "[ . 1 . 2]" 1
298 1 27 VAL HB 1 37 VAL MG2 . . 4.350 3.322 2.627 3.977 . 0 0 "[ . 1 . 2]" 1
299 1 27 VAL HB 1 78 LEU MD1 . . 5.500 4.783 4.265 5.324 . 0 0 "[ . 1 . 2]" 1
300 1 27 VAL HB 1 89 ILE MD . . 4.370 2.639 2.392 3.010 . 0 0 "[ . 1 . 2]" 1
301 1 27 VAL HB 1 89 ILE MG . . 4.930 4.367 4.068 4.873 . 0 0 "[ . 1 . 2]" 1
302 1 27 VAL HB 1 108 ALA HA . . 5.500 5.107 4.576 5.483 . 0 0 "[ . 1 . 2]" 1
303 1 27 VAL HB 1 108 ALA MB . . 4.190 2.995 2.404 3.377 . 0 0 "[ . 1 . 2]" 1
304 1 27 VAL MG1 1 28 LYS H . . 4.210 3.882 3.570 4.046 . 0 0 "[ . 1 . 2]" 1
305 1 27 VAL MG1 1 37 VAL HA . . 3.640 2.694 2.009 3.168 . 0 0 "[ . 1 . 2]" 1
306 1 27 VAL MG1 1 38 HIS H . . 4.080 3.875 3.428 4.082 0.002 3 0 "[ . 1 . 2]" 1
307 1 27 VAL MG1 1 89 ILE HB . . 3.990 2.307 1.933 2.702 . 0 0 "[ . 1 . 2]" 1
308 1 27 VAL MG1 1 89 ILE MD . . 2.990 1.913 1.783 2.137 . 0 0 "[ . 1 . 2]" 1
309 1 27 VAL MG2 1 28 LYS H . . 4.210 4.007 3.618 4.210 . 0 0 "[ . 1 . 2]" 1
310 1 27 VAL MG2 1 29 VAL H . . 5.370 4.918 4.583 5.370 0.000 6 0 "[ . 1 . 2]" 1
311 1 27 VAL MG2 1 107 GLU H . . 4.650 4.244 3.900 4.546 . 0 0 "[ . 1 . 2]" 1
312 1 27 VAL MG2 1 107 GLU HA . . 4.850 4.625 4.229 4.850 . 6 0 "[ . 1 . 2]" 1
313 1 27 VAL MG2 1 108 ALA HA . . 3.800 3.120 2.730 3.480 . 0 0 "[ . 1 . 2]" 1
314 1 27 VAL MG2 1 108 ALA MB . . 2.810 2.102 1.806 2.464 . 0 0 "[ . 1 . 2]" 1
315 1 27 VAL MG2 1 109 PHE H . . 4.820 4.459 4.105 4.824 0.004 12 0 "[ . 1 . 2]" 1
316 1 28 LYS H 1 28 LYS QB . . 3.450 2.405 2.304 2.587 . 0 0 "[ . 1 . 2]" 1
317 1 28 LYS H 1 28 LYS QD . . 4.610 4.447 3.565 4.617 0.007 15 0 "[ . 1 . 2]" 1
318 1 28 LYS H 1 28 LYS HG2 . . 4.860 4.425 2.616 4.720 . 0 0 "[ . 1 . 2]" 1
319 1 28 LYS H 1 28 LYS QG . . 4.170 3.969 2.583 4.178 0.008 20 0 "[ . 1 . 2]" 1
320 1 28 LYS H 1 28 LYS HG3 . . 4.860 4.550 4.005 4.851 . 0 0 "[ . 1 . 2]" 1
321 1 28 LYS H 1 35 ILE MG . . 3.920 3.239 2.754 3.807 . 0 0 "[ . 1 . 2]" 1
322 1 28 LYS H 1 36 SER H . . 4.060 3.349 3.040 3.680 . 0 0 "[ . 1 . 2]" 1
323 1 28 LYS H 1 36 SER QB . . 4.120 3.383 2.970 4.076 . 0 0 "[ . 1 . 2]" 1
324 1 28 LYS H 1 38 HIS HD2 . . 4.630 3.323 2.475 3.947 . 0 0 "[ . 1 . 2]" 1
325 1 28 LYS HA 1 28 LYS QD . . 4.380 3.521 2.411 4.423 0.043 6 0 "[ . 1 . 2]" 1
326 1 28 LYS HA 1 28 LYS HG2 . . 4.120 3.154 2.290 3.884 . 0 0 "[ . 1 . 2]" 1
327 1 28 LYS HA 1 28 LYS HG3 . . 4.120 2.861 2.319 3.713 . 0 0 "[ . 1 . 2]" 1
328 1 28 LYS HA 1 29 VAL H . . 2.940 2.182 2.148 2.374 . 0 0 "[ . 1 . 2]" 1
329 1 28 LYS HA 1 29 VAL HB . . 5.050 4.669 4.581 4.791 . 0 0 "[ . 1 . 2]" 1
330 1 28 LYS HA 1 29 VAL QG . . 3.630 3.509 3.323 3.635 0.005 16 0 "[ . 1 . 2]" 1
331 1 28 LYS QB 1 28 LYS QD . . 3.390 2.134 2.046 2.225 . 0 0 "[ . 1 . 2]" 1
332 1 28 LYS QB 1 28 LYS QE . . 4.210 3.391 2.199 3.758 . 0 0 "[ . 1 . 2]" 1
333 1 28 LYS QB 1 30 LEU MD2 . . 3.800 3.169 2.257 3.538 . 0 0 "[ . 1 . 2]" 1
334 1 28 LYS QB 1 30 LEU HG . . 4.980 4.140 3.522 4.570 . 0 0 "[ . 1 . 2]" 1
335 1 28 LYS QB 1 36 SER H . . 4.180 3.327 2.749 4.195 0.015 6 0 "[ . 1 . 2]" 1
336 1 28 LYS QB 1 36 SER QB . . 3.480 2.482 1.956 3.437 . 0 0 "[ . 1 . 2]" 1
337 1 28 LYS QD 1 29 VAL H . . 5.020 4.026 2.847 4.901 . 0 0 "[ . 1 . 2]" 1
338 1 28 LYS QD 1 30 LEU MD2 . . 4.750 2.912 1.858 4.180 . 0 0 "[ . 1 . 2]" 1
339 1 28 LYS QD 1 36 SER QB . . 4.490 3.741 1.812 4.499 0.009 3 0 "[ . 1 . 2]" 1
340 1 28 LYS QE 1 28 LYS QG . . 3.080 2.185 2.057 2.441 . 0 0 "[ . 1 . 2]" 1
341 1 28 LYS QE 1 30 LEU HA . . 4.550 3.857 2.496 4.537 . 0 0 "[ . 1 . 2]" 1
342 1 28 LYS QE 1 30 LEU MD2 . . 4.000 2.691 1.786 3.504 . 0 0 "[ . 1 . 2]" 1
343 1 28 LYS QG 1 29 VAL H . . 3.740 2.631 2.074 2.981 . 0 0 "[ . 1 . 2]" 1
344 1 28 LYS QG 1 30 LEU HA . . 4.970 4.045 3.609 4.966 . 0 0 "[ . 1 . 2]" 1
345 1 28 LYS QG 1 30 LEU MD2 . . 3.840 2.681 1.966 3.724 . 0 0 "[ . 1 . 2]" 1
346 1 28 LYS QG 1 30 LEU HG . . 5.320 4.074 2.492 5.286 . 0 0 "[ . 1 . 2]" 1
347 1 28 LYS QG 1 36 SER QB . . 4.460 3.819 2.157 4.422 . 0 0 "[ . 1 . 2]" 1
348 1 28 LYS QG 1 38 HIS HD2 . . 5.340 5.049 4.484 5.335 . 0 0 "[ . 1 . 2]" 1
349 1 28 LYS HG2 1 29 VAL H . . 4.610 3.276 2.595 4.225 . 0 0 "[ . 1 . 2]" 1
350 1 28 LYS HG2 1 30 LEU MD2 . . 4.400 2.882 2.038 4.351 . 0 0 "[ . 1 . 2]" 1
351 1 28 LYS HG3 1 29 VAL H . . 4.610 3.205 2.083 4.500 . 0 0 "[ . 1 . 2]" 1
352 1 28 LYS HG3 1 30 LEU MD2 . . 4.400 3.648 1.990 4.393 . 0 0 "[ . 1 . 2]" 1
353 1 29 VAL H 1 29 VAL HB . . 3.250 2.547 2.501 2.650 . 0 0 "[ . 1 . 2]" 1
354 1 29 VAL H 1 29 VAL MG1 . . 4.230 3.795 3.776 3.838 . 0 0 "[ . 1 . 2]" 1
355 1 29 VAL H 1 29 VAL QG . . 3.260 2.350 1.958 2.723 . 0 0 "[ . 1 . 2]" 1
356 1 29 VAL H 1 29 VAL MG2 . . 4.230 2.377 1.964 2.785 . 0 0 "[ . 1 . 2]" 1
357 1 29 VAL H 1 30 LEU MD2 . . 5.500 4.633 4.147 4.937 . 0 0 "[ . 1 . 2]" 1
358 1 29 VAL HA 1 29 VAL MG1 . . 3.270 2.355 2.274 2.444 . 0 0 "[ . 1 . 2]" 1
359 1 29 VAL HA 1 29 VAL MG2 . . 3.270 2.398 2.262 2.547 . 0 0 "[ . 1 . 2]" 1
360 1 29 VAL HA 1 30 LEU H . . 3.200 2.188 2.140 2.302 . 0 0 "[ . 1 . 2]" 1
361 1 29 VAL HA 1 30 LEU MD2 . . 4.640 4.454 3.886 4.640 . 0 0 "[ . 1 . 2]" 1
362 1 29 VAL HA 1 30 LEU HG . . 4.300 3.850 3.361 4.237 . 0 0 "[ . 1 . 2]" 1
363 1 29 VAL HA 1 31 SER H . . 4.410 4.062 3.765 4.359 . 0 0 "[ . 1 . 2]" 1
364 1 29 VAL HA 1 35 ILE HA . . 3.700 2.754 2.461 3.057 . 0 0 "[ . 1 . 2]" 1
365 1 29 VAL HA 1 35 ILE HB . . 5.000 4.805 4.518 5.001 0.001 15 0 "[ . 1 . 2]" 1
366 1 29 VAL HA 1 35 ILE MD . . 4.410 3.758 3.454 4.168 . 0 0 "[ . 1 . 2]" 1
367 1 29 VAL HA 1 35 ILE HG12 . . 3.720 2.511 2.135 2.878 . 0 0 "[ . 1 . 2]" 1
368 1 29 VAL HA 1 35 ILE HG13 . . 4.530 4.128 3.782 4.455 . 0 0 "[ . 1 . 2]" 1
369 1 29 VAL HA 1 35 ILE MG . . 3.670 2.690 2.273 3.080 . 0 0 "[ . 1 . 2]" 1
370 1 29 VAL HA 1 36 SER H . . 4.110 3.761 3.313 4.090 . 0 0 "[ . 1 . 2]" 1
371 1 29 VAL HB 1 111 LYS QE . . 4.040 3.454 2.535 4.041 0.001 6 0 "[ . 1 . 2]" 1
372 1 29 VAL QG 1 30 LEU H . . 3.420 2.946 2.357 3.367 . 0 0 "[ . 1 . 2]" 1
373 1 29 VAL QG 1 30 LEU HA . . 5.240 4.038 3.782 4.289 . 0 0 "[ . 1 . 2]" 1
374 1 29 VAL QG 1 30 LEU MD1 . . 5.440 5.179 4.746 5.416 . 0 0 "[ . 1 . 2]" 1
375 1 29 VAL QG 1 30 LEU HG . . 5.440 4.593 4.146 4.901 . 0 0 "[ . 1 . 2]" 1
376 1 29 VAL QG 1 31 SER H . . 3.380 3.135 2.614 3.382 0.002 15 0 "[ . 1 . 2]" 1
377 1 29 VAL QG 1 35 ILE HA . . 4.280 3.773 3.466 4.013 . 0 0 "[ . 1 . 2]" 1
378 1 29 VAL QG 1 35 ILE MD . . 4.110 2.793 2.244 3.171 . 0 0 "[ . 1 . 2]" 1
379 1 29 VAL QG 1 35 ILE HG12 . . 3.460 2.622 2.256 2.950 . 0 0 "[ . 1 . 2]" 1
380 1 29 VAL QG 1 35 ILE MG . . 3.380 2.807 2.410 3.259 . 0 0 "[ . 1 . 2]" 1
381 1 29 VAL QG 1 36 SER H . . 5.280 4.634 4.266 4.929 . 0 0 "[ . 1 . 2]" 1
382 1 29 VAL QG 1 109 PHE H . . 3.720 2.787 2.439 3.271 . 0 0 "[ . 1 . 2]" 1
383 1 29 VAL QG 1 109 PHE HA . . 5.440 4.290 4.078 4.609 . 0 0 "[ . 1 . 2]" 1
384 1 29 VAL QG 1 109 PHE HB3 . . 5.440 4.333 4.124 4.652 . 0 0 "[ . 1 . 2]" 1
385 1 29 VAL QG 1 110 THR H . . 4.730 3.892 3.588 4.149 . 0 0 "[ . 1 . 2]" 1
386 1 29 VAL QG 1 110 THR HA . . 3.020 2.112 1.907 2.429 . 0 0 "[ . 1 . 2]" 1
387 1 29 VAL QG 1 110 THR HB . . 3.910 3.737 3.465 3.908 . 0 0 "[ . 1 . 2]" 1
388 1 29 VAL QG 1 111 LYS H . . 3.430 3.019 2.653 3.434 0.004 17 0 "[ . 1 . 2]" 1
389 1 29 VAL QG 1 111 LYS QD . . 4.190 3.489 2.534 3.941 . 0 0 "[ . 1 . 2]" 1
390 1 29 VAL QG 1 111 LYS QE . . 3.360 2.627 1.919 3.098 . 0 0 "[ . 1 . 2]" 1
391 1 29 VAL QG 1 111 LYS QG . . 2.890 2.249 1.937 2.646 . 0 0 "[ . 1 . 2]" 1
392 1 29 VAL MG1 1 30 LEU H . . 4.250 3.022 2.372 3.526 . 0 0 "[ . 1 . 2]" 1
393 1 29 VAL MG1 1 35 ILE HG12 . . 4.010 2.796 2.367 3.108 . 0 0 "[ . 1 . 2]" 1
394 1 29 VAL MG1 1 35 ILE MG . . 4.150 3.857 3.529 4.124 . 0 0 "[ . 1 . 2]" 1
395 1 29 VAL MG1 1 110 THR HA . . 4.090 2.151 1.929 2.554 . 0 0 "[ . 1 . 2]" 1
396 1 29 VAL MG2 1 30 LEU H . . 4.250 4.195 4.050 4.275 0.025 17 0 "[ . 1 . 2]" 1
397 1 29 VAL MG2 1 35 ILE HG12 . . 4.010 3.205 2.787 3.672 . 0 0 "[ . 1 . 2]" 1
398 1 29 VAL MG2 1 35 ILE MG . . 4.150 2.892 2.445 3.414 . 0 0 "[ . 1 . 2]" 1
399 1 29 VAL MG2 1 110 THR HA . . 4.090 3.155 2.906 3.547 . 0 0 "[ . 1 . 2]" 1
400 1 30 LEU H 1 30 LEU MD1 . . 3.980 3.574 3.383 3.852 . 0 0 "[ . 1 . 2]" 1
401 1 30 LEU H 1 30 LEU MD2 . . 3.940 3.219 2.332 3.562 . 0 0 "[ . 1 . 2]" 1
402 1 30 LEU H 1 30 LEU HG . . 3.320 2.174 1.908 2.521 . 0 0 "[ . 1 . 2]" 1
403 1 30 LEU H 1 35 ILE HA . . 3.430 2.258 1.966 2.688 . 0 0 "[ . 1 . 2]" 1
404 1 30 LEU H 1 35 ILE MG . . 4.390 3.743 3.378 4.098 . 0 0 "[ . 1 . 2]" 1
405 1 30 LEU H 1 36 SER H . . 4.110 3.460 3.110 3.863 . 0 0 "[ . 1 . 2]" 1
406 1 30 LEU HA 1 30 LEU MD1 . . 4.140 3.924 3.801 4.025 . 0 0 "[ . 1 . 2]" 1
407 1 30 LEU HA 1 30 LEU MD2 . . 2.830 2.269 1.983 2.670 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU HA 1 30 LEU HG . . 3.920 3.232 3.131 3.501 . 0 0 "[ . 1 . 2]" 1
409 1 30 LEU QB 1 31 SER H . . 3.420 2.259 2.032 2.463 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU QB 1 31 SER QB . . 4.480 3.276 3.093 3.746 . 0 0 "[ . 1 . 2]" 1
411 1 30 LEU QB 1 34 GLU H . . 4.860 4.293 3.946 4.642 . 0 0 "[ . 1 . 2]" 1
412 1 30 LEU QB 1 34 GLU HB2 . . 4.000 2.076 1.970 2.289 . 0 0 "[ . 1 . 2]" 1
413 1 30 LEU QB 1 34 GLU HB3 . . 4.330 2.489 1.985 3.196 . 0 0 "[ . 1 . 2]" 1
414 1 30 LEU QB 1 34 GLU QG . . 4.590 3.817 3.412 4.035 . 0 0 "[ . 1 . 2]" 1
415 1 30 LEU MD1 1 31 SER H . . 4.680 4.112 3.855 4.344 . 0 0 "[ . 1 . 2]" 1
416 1 30 LEU MD1 1 34 GLU HA . . 4.670 3.955 3.585 4.421 . 0 0 "[ . 1 . 2]" 1
417 1 30 LEU MD1 1 34 GLU HB2 . . 3.880 3.318 2.777 3.683 . 0 0 "[ . 1 . 2]" 1
418 1 30 LEU MD1 1 34 GLU HB3 . . 3.500 2.447 1.986 2.795 . 0 0 "[ . 1 . 2]" 1
419 1 30 LEU MD1 1 34 GLU HG2 . . 5.500 4.534 3.620 5.207 . 0 0 "[ . 1 . 2]" 1
420 1 30 LEU MD1 1 34 GLU QG . . 4.710 4.090 3.394 4.405 . 0 0 "[ . 1 . 2]" 1
421 1 30 LEU MD1 1 34 GLU HG3 . . 5.500 4.766 4.075 5.270 . 0 0 "[ . 1 . 2]" 1
422 1 30 LEU MD1 1 35 ILE HA . . 4.490 3.360 2.993 3.652 . 0 0 "[ . 1 . 2]" 1
423 1 30 LEU MD1 1 35 ILE HB . . 5.500 5.188 4.717 5.496 . 0 0 "[ . 1 . 2]" 1
424 1 30 LEU MD1 1 36 SER H . . 4.160 3.294 2.966 3.566 . 0 0 "[ . 1 . 2]" 1
425 1 30 LEU MD1 1 36 SER HA . . 4.630 3.633 3.286 3.979 . 0 0 "[ . 1 . 2]" 1
426 1 30 LEU MD1 1 36 SER QB . . 3.350 2.476 2.064 3.301 . 0 0 "[ . 1 . 2]" 1
427 1 30 LEU MD1 1 77 ARG HB2 . . 4.860 4.115 3.566 4.651 . 0 0 "[ . 1 . 2]" 1
428 1 30 LEU MD1 1 77 ARG HD2 . . 3.980 3.087 1.951 3.982 0.002 3 0 "[ . 1 . 2]" 1
429 1 30 LEU MD1 1 77 ARG QD . . 3.460 2.749 1.885 3.395 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU MD1 1 77 ARG HD3 . . 3.980 3.281 2.488 3.972 . 0 0 "[ . 1 . 2]" 1
431 1 30 LEU MD1 1 77 ARG QG . . 3.530 2.836 2.296 3.321 . 0 0 "[ . 1 . 2]" 1
432 1 30 LEU MD1 1 79 GLU QG . . 5.500 4.826 4.410 5.166 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU MD2 1 31 SER H . . 5.210 4.552 4.331 4.670 . 0 0 "[ . 1 . 2]" 1
434 1 30 LEU MD2 1 36 SER H . . 4.160 3.499 2.716 3.821 . 0 0 "[ . 1 . 2]" 1
435 1 30 LEU MD2 1 36 SER HA . . 5.200 4.742 4.106 5.199 . 0 0 "[ . 1 . 2]" 1
436 1 30 LEU MD2 1 36 SER HB2 . . 3.810 2.814 2.193 3.585 . 0 0 "[ . 1 . 2]" 1
437 1 30 LEU MD2 1 36 SER QB . . 3.190 2.545 2.065 2.980 . 0 0 "[ . 1 . 2]" 1
438 1 30 LEU MD2 1 36 SER HB3 . . 3.810 3.259 2.082 3.796 . 0 0 "[ . 1 . 2]" 1
439 1 30 LEU HG 1 34 GLU HB2 . . 4.900 4.332 4.051 4.659 . 0 0 "[ . 1 . 2]" 1
440 1 30 LEU HG 1 34 GLU HB3 . . 5.240 4.151 3.415 4.642 . 0 0 "[ . 1 . 2]" 1
441 1 30 LEU HG 1 35 ILE HA . . 4.130 2.583 2.258 3.088 . 0 0 "[ . 1 . 2]" 1
442 1 30 LEU HG 1 35 ILE MG . . 4.760 4.146 3.876 4.584 . 0 0 "[ . 1 . 2]" 1
443 1 30 LEU HG 1 36 SER H . . 3.780 2.596 2.349 3.047 . 0 0 "[ . 1 . 2]" 1
444 1 30 LEU HG 1 36 SER HA . . 5.290 4.592 4.198 4.966 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU HG 1 36 SER QB . . 3.860 3.074 2.791 3.442 . 0 0 "[ . 1 . 2]" 1
446 1 31 SER H 1 31 SER QB . . 3.650 2.764 2.586 2.946 . 0 0 "[ . 1 . 2]" 1
447 1 31 SER H 1 32 SER HA . . 5.440 5.105 4.992 5.234 . 0 0 "[ . 1 . 2]" 1
448 1 31 SER H 1 33 SER H . . 4.620 4.402 4.129 4.621 0.001 9 0 "[ . 1 . 2]" 1
449 1 31 SER H 1 34 GLU H . . 3.690 2.990 2.829 3.228 . 0 0 "[ . 1 . 2]" 1
450 1 31 SER H 1 34 GLU HB2 . . 4.380 2.245 2.024 2.629 . 0 0 "[ . 1 . 2]" 1
451 1 31 SER H 1 34 GLU HB3 . . 4.640 3.672 3.336 4.211 . 0 0 "[ . 1 . 2]" 1
452 1 31 SER H 1 35 ILE HA . . 4.230 3.921 3.701 4.115 . 0 0 "[ . 1 . 2]" 1
453 1 31 SER H 1 35 ILE HG12 . . 5.070 4.074 3.802 4.400 . 0 0 "[ . 1 . 2]" 1
454 1 31 SER QB 1 32 SER H . . 3.090 2.323 1.942 2.937 . 0 0 "[ . 1 . 2]" 1
455 1 31 SER QB 1 33 SER H . . 4.530 2.561 2.287 3.357 . 0 0 "[ . 1 . 2]" 1
456 1 31 SER QB 1 33 SER QB . . 4.910 4.338 3.521 4.898 . 0 0 "[ . 1 . 2]" 1
457 1 31 SER QB 1 34 GLU HB2 . . 4.830 2.193 1.988 2.640 . 0 0 "[ . 1 . 2]" 1
458 1 31 SER HB2 1 32 SER H . . 3.870 3.485 2.293 3.808 . 0 0 "[ . 1 . 2]" 1
459 1 31 SER HB2 1 34 GLU H . . 4.580 3.696 1.931 4.561 . 0 0 "[ . 1 . 2]" 1
460 1 31 SER HB3 1 32 SER H . . 3.870 2.435 1.953 3.685 . 0 0 "[ . 1 . 2]" 1
461 1 31 SER HB3 1 34 GLU H . . 4.580 3.646 2.619 4.483 . 0 0 "[ . 1 . 2]" 1
462 1 32 SER H 1 32 SER QB . . 3.480 2.434 2.140 2.713 . 0 0 "[ . 1 . 2]" 1
463 1 32 SER H 1 34 GLU H . . 4.420 4.155 3.784 4.369 . 0 0 "[ . 1 . 2]" 1
464 1 32 SER H 1 111 LYS QB . . 4.370 3.426 3.043 3.838 . 0 0 "[ . 1 . 2]" 1
465 1 32 SER HA 1 83 PRO HA . . 4.180 3.321 2.904 3.614 . 0 0 "[ . 1 . 2]" 1
466 1 32 SER HA 1 83 PRO HB3 . . 4.490 4.352 3.931 4.490 0.000 17 0 "[ . 1 . 2]" 1
467 1 32 SER HA 1 111 LYS H . . 3.270 2.206 1.896 2.793 . 0 0 "[ . 1 . 2]" 1
468 1 32 SER HA 1 111 LYS HA . . 5.050 4.696 4.429 5.016 . 0 0 "[ . 1 . 2]" 1
469 1 32 SER HA 1 111 LYS QB . . 4.050 3.090 2.583 3.504 . 0 0 "[ . 1 . 2]" 1
470 1 32 SER QB 1 33 SER H . . 4.100 3.386 2.817 3.684 . 0 0 "[ . 1 . 2]" 1
471 1 32 SER QB 1 33 SER QB . . 5.180 4.353 3.641 4.833 . 0 0 "[ . 1 . 2]" 1
472 1 32 SER QB 1 83 PRO HA . . 3.630 2.512 2.165 2.877 . 0 0 "[ . 1 . 2]" 1
473 1 32 SER QB 1 83 PRO HB2 . . 3.580 3.510 3.339 3.580 . 0 0 "[ . 1 . 2]" 1
474 1 32 SER QB 1 83 PRO HB3 . . 3.320 2.213 2.003 2.312 . 0 0 "[ . 1 . 2]" 1
475 1 32 SER QB 1 84 ASP H . . 4.780 3.802 3.410 4.103 . 0 0 "[ . 1 . 2]" 1
476 1 32 SER QB 1 110 THR MG . . 5.070 4.504 4.193 4.722 . 0 0 "[ . 1 . 2]" 1
477 1 32 SER QB 1 111 LYS H . . 3.970 3.632 3.235 3.906 . 0 0 "[ . 1 . 2]" 1
478 1 32 SER QB 1 111 LYS QB . . 4.160 3.065 2.657 3.731 . 0 0 "[ . 1 . 2]" 1
479 1 32 SER QB 1 113 ALA H . . 4.550 3.605 2.430 4.090 . 0 0 "[ . 1 . 2]" 1
480 1 32 SER QB 1 113 ALA HA . . 3.380 2.864 2.015 3.313 . 0 0 "[ . 1 . 2]" 1
481 1 32 SER QB 1 113 ALA MB . . 3.610 3.216 2.717 3.505 . 0 0 "[ . 1 . 2]" 1
482 1 32 SER HB2 1 83 PRO HA . . 4.310 2.789 2.315 4.177 . 0 0 "[ . 1 . 2]" 1
483 1 32 SER HB2 1 83 PRO HB3 . . 3.970 2.419 2.016 3.610 . 0 0 "[ . 1 . 2]" 1
484 1 32 SER HB2 1 111 LYS H . . 4.550 4.304 3.407 4.556 0.006 6 0 "[ . 1 . 2]" 1
485 1 32 SER HB2 1 113 ALA HA . . 3.880 3.372 2.140 3.843 . 0 0 "[ . 1 . 2]" 1
486 1 32 SER HB2 1 113 ALA MB . . 4.150 3.478 2.867 3.915 . 0 0 "[ . 1 . 2]" 1
487 1 32 SER HB3 1 83 PRO HA . . 4.310 3.732 2.177 4.200 . 0 0 "[ . 1 . 2]" 1
488 1 32 SER HB3 1 83 PRO HB3 . . 3.970 3.329 2.164 3.835 . 0 0 "[ . 1 . 2]" 1
489 1 32 SER HB3 1 111 LYS H . . 4.550 3.975 3.384 4.549 . 0 0 "[ . 1 . 2]" 1
490 1 32 SER HB3 1 113 ALA HA . . 3.880 3.136 2.460 3.801 . 0 0 "[ . 1 . 2]" 1
491 1 32 SER HB3 1 113 ALA MB . . 4.150 3.846 3.370 4.150 0.000 2 0 "[ . 1 . 2]" 1
492 1 33 SER H 1 33 SER QB . . 3.690 2.779 2.445 3.182 . 0 0 "[ . 1 . 2]" 1
493 1 33 SER H 1 34 GLU H . . 2.830 2.484 1.787 2.802 . 0 0 "[ . 1 . 2]" 1
494 1 33 SER H 1 34 GLU HA . . 4.950 4.790 4.563 4.945 . 0 0 "[ . 1 . 2]" 1
495 1 33 SER H 1 34 GLU HB2 . . 4.430 4.158 3.986 4.335 . 0 0 "[ . 1 . 2]" 1
496 1 33 SER H 1 34 GLU QG . . 4.700 3.103 2.659 4.330 . 0 0 "[ . 1 . 2]" 1
497 1 33 SER H 1 81 LEU HB2 . . 4.960 4.840 4.628 4.960 . 0 0 "[ . 1 . 2]" 1
498 1 33 SER QB 1 34 GLU H . . 4.330 3.850 2.983 4.054 . 0 0 "[ . 1 . 2]" 1
499 1 33 SER QB 1 80 ASN H . . 3.960 2.865 2.303 3.707 . 0 0 "[ . 1 . 2]" 1
500 1 33 SER QB 1 80 ASN HA . . 4.090 3.243 2.911 3.842 . 0 0 "[ . 1 . 2]" 1
501 1 33 SER QB 1 81 LEU HB2 . . 4.340 3.677 3.322 4.052 . 0 0 "[ . 1 . 2]" 1
502 1 33 SER QB 1 81 LEU MD1 . . 5.340 4.321 3.855 4.815 . 0 0 "[ . 1 . 2]" 1
503 1 33 SER QB 1 81 LEU HG . . 5.180 4.313 3.917 4.961 . 0 0 "[ . 1 . 2]" 1
504 1 33 SER HB2 1 34 GLU H . . 5.140 4.293 3.916 4.606 . 0 0 "[ . 1 . 2]" 1
505 1 33 SER HB2 1 80 ASN H . . 4.600 3.474 2.534 4.264 . 0 0 "[ . 1 . 2]" 1
506 1 33 SER HB2 1 80 ASN HA . . 4.920 3.981 3.010 4.848 . 0 0 "[ . 1 . 2]" 1
507 1 33 SER HB2 1 81 LEU H . . 3.770 3.071 2.137 3.765 . 0 0 "[ . 1 . 2]" 1
508 1 33 SER HB2 1 81 LEU HB2 . . 5.010 4.420 3.770 5.002 . 0 0 "[ . 1 . 2]" 1
509 1 33 SER HB3 1 34 GLU H . . 5.140 4.426 3.054 4.660 . 0 0 "[ . 1 . 2]" 1
510 1 33 SER HB3 1 80 ASN H . . 4.600 3.628 2.322 4.575 . 0 0 "[ . 1 . 2]" 1
511 1 33 SER HB3 1 80 ASN HA . . 4.920 3.870 2.951 4.700 . 0 0 "[ . 1 . 2]" 1
512 1 33 SER HB3 1 81 LEU H . . 3.770 2.807 2.011 3.774 0.004 6 0 "[ . 1 . 2]" 1
513 1 33 SER HB3 1 81 LEU HB2 . . 5.010 4.098 3.401 4.986 . 0 0 "[ . 1 . 2]" 1
514 1 34 GLU H 1 34 GLU HB2 . . 3.710 2.912 2.708 3.119 . 0 0 "[ . 1 . 2]" 1
515 1 34 GLU H 1 34 GLU HB3 . . 4.000 3.911 3.680 3.987 . 0 0 "[ . 1 . 2]" 1
516 1 34 GLU H 1 34 GLU QG . . 3.870 2.971 2.095 3.772 . 0 0 "[ . 1 . 2]" 1
517 1 34 GLU H 1 35 ILE HG13 . . 4.790 3.332 3.098 4.071 . 0 0 "[ . 1 . 2]" 1
518 1 34 GLU H 1 81 LEU MD1 . . 4.740 3.344 2.843 4.409 . 0 0 "[ . 1 . 2]" 1
519 1 34 GLU H 1 110 THR MG . . 5.240 3.857 3.456 4.772 . 0 0 "[ . 1 . 2]" 1
520 1 34 GLU HA 1 35 ILE H . . 2.910 2.168 2.139 2.249 . 0 0 "[ . 1 . 2]" 1
521 1 34 GLU HA 1 35 ILE HB . . 4.840 4.616 4.487 4.775 . 0 0 "[ . 1 . 2]" 1
522 1 34 GLU HA 1 35 ILE MD . . 5.500 5.023 4.894 5.164 . 0 0 "[ . 1 . 2]" 1
523 1 34 GLU HA 1 78 LEU H . . 4.590 4.330 4.019 4.579 . 0 0 "[ . 1 . 2]" 1
524 1 34 GLU HA 1 78 LEU HB3 . . 5.500 5.175 4.831 5.454 . 0 0 "[ . 1 . 2]" 1
525 1 34 GLU HA 1 79 GLU HA . . 3.810 2.949 2.611 3.244 . 0 0 "[ . 1 . 2]" 1
526 1 34 GLU HA 1 79 GLU QG . . 4.530 3.404 2.963 4.200 . 0 0 "[ . 1 . 2]" 1
527 1 34 GLU HA 1 80 ASN H . . 5.110 4.884 4.535 5.103 . 0 0 "[ . 1 . 2]" 1
528 1 34 GLU HA 1 81 LEU MD1 . . 4.070 3.013 2.373 3.614 . 0 0 "[ . 1 . 2]" 1
529 1 34 GLU HB3 1 35 ILE H . . 5.170 3.254 2.900 3.634 . 0 0 "[ . 1 . 2]" 1
530 1 34 GLU QG 1 79 GLU HA . . 4.400 3.672 3.252 4.361 . 0 0 "[ . 1 . 2]" 1
531 1 34 GLU QG 1 81 LEU MD1 . . 5.340 4.584 4.090 5.153 . 0 0 "[ . 1 . 2]" 1
532 1 35 ILE H 1 35 ILE HB . . 3.500 2.929 2.807 3.058 . 0 0 "[ . 1 . 2]" 1
533 1 35 ILE H 1 35 ILE MD . . 4.560 4.340 4.162 4.538 . 0 0 "[ . 1 . 2]" 1
534 1 35 ILE H 1 35 ILE HG12 . . 5.500 4.094 3.899 4.263 . 0 0 "[ . 1 . 2]" 1
535 1 35 ILE H 1 35 ILE HG13 . . 4.450 3.110 2.860 3.314 . 0 0 "[ . 1 . 2]" 1
536 1 35 ILE H 1 35 ILE MG . . 4.190 3.949 3.903 4.009 . 0 0 "[ . 1 . 2]" 1
537 1 35 ILE H 1 78 LEU H . . 3.720 2.718 2.477 2.935 . 0 0 "[ . 1 . 2]" 1
538 1 35 ILE H 1 78 LEU MD1 . . 5.100 4.326 4.078 4.636 . 0 0 "[ . 1 . 2]" 1
539 1 35 ILE H 1 78 LEU HG . . 5.140 4.538 4.329 4.787 . 0 0 "[ . 1 . 2]" 1
540 1 35 ILE H 1 81 LEU MD1 . . 4.010 3.027 2.723 3.742 . 0 0 "[ . 1 . 2]" 1
541 1 35 ILE HA 1 35 ILE MD . . 4.230 3.832 3.760 3.885 . 0 0 "[ . 1 . 2]" 1
542 1 35 ILE HA 1 35 ILE HG12 . . 3.990 2.550 2.438 2.659 . 0 0 "[ . 1 . 2]" 1
543 1 35 ILE HA 1 35 ILE MG . . 3.480 2.369 2.209 2.459 . 0 0 "[ . 1 . 2]" 1
544 1 35 ILE HA 1 36 SER H . . 3.110 2.172 2.143 2.272 . 0 0 "[ . 1 . 2]" 1
545 1 35 ILE HA 1 36 SER QB . . 4.640 4.090 4.010 4.338 . 0 0 "[ . 1 . 2]" 1
546 1 35 ILE HB 1 35 ILE MD . . 3.590 2.395 2.285 2.502 . 0 0 "[ . 1 . 2]" 1
547 1 35 ILE HB 1 36 SER H . . 4.180 4.082 3.845 4.178 . 0 0 "[ . 1 . 2]" 1
548 1 35 ILE HB 1 78 LEU H . . 4.920 3.849 3.319 4.100 . 0 0 "[ . 1 . 2]" 1
549 1 35 ILE HB 1 78 LEU HB3 . . 4.020 3.842 3.619 4.021 0.001 3 0 "[ . 1 . 2]" 1
550 1 35 ILE HB 1 78 LEU MD1 . . 3.820 2.306 2.058 2.580 . 0 0 "[ . 1 . 2]" 1
551 1 35 ILE MD 1 35 ILE MG . . 2.910 2.051 1.909 2.223 . 0 0 "[ . 1 . 2]" 1
552 1 35 ILE MD 1 37 VAL MG2 . . 4.960 4.699 4.523 4.832 . 0 0 "[ . 1 . 2]" 1
553 1 35 ILE MD 1 78 LEU HB2 . . 4.860 3.856 3.407 4.049 . 0 0 "[ . 1 . 2]" 1
554 1 35 ILE MD 1 78 LEU HB3 . . 4.770 4.606 4.276 4.770 . 12 0 "[ . 1 . 2]" 1
555 1 35 ILE MD 1 78 LEU MD1 . . 3.740 3.013 2.376 3.258 . 0 0 "[ . 1 . 2]" 1
556 1 35 ILE MD 1 81 LEU MD1 . . 3.150 1.961 1.783 2.152 . 0 0 "[ . 1 . 2]" 1
557 1 35 ILE MD 1 81 LEU MD2 . . 4.280 3.341 2.861 3.869 . 0 0 "[ . 1 . 2]" 1
558 1 35 ILE MD 1 87 TYR HB2 . . 4.220 3.290 2.740 3.566 . 0 0 "[ . 1 . 2]" 1
559 1 35 ILE MD 1 87 TYR HB3 . . 4.370 3.973 3.477 4.368 . 0 0 "[ . 1 . 2]" 1
560 1 35 ILE MD 1 87 TYR QD . . 4.360 3.774 3.412 4.148 . 0 0 "[ . 1 . 2]" 1
561 1 35 ILE MD 1 89 ILE MD . . 3.260 2.642 2.392 2.886 . 0 0 "[ . 1 . 2]" 1
562 1 35 ILE MD 1 89 ILE MG . . 5.500 5.257 5.121 5.500 . 8 0 "[ . 1 . 2]" 1
563 1 35 ILE MD 1 108 ALA MB . . 3.120 2.469 2.170 2.715 . 0 0 "[ . 1 . 2]" 1
564 1 35 ILE MD 1 109 PHE HA . . 5.500 4.771 4.560 5.100 . 0 0 "[ . 1 . 2]" 1
565 1 35 ILE MD 1 110 THR H . . 4.500 3.908 3.740 4.274 . 0 0 "[ . 1 . 2]" 1
566 1 35 ILE MD 1 110 THR HA . . 4.390 3.485 2.996 3.954 . 0 0 "[ . 1 . 2]" 1
567 1 35 ILE MD 1 110 THR MG . . 2.870 1.913 1.803 2.104 . 0 0 "[ . 1 . 2]" 1
568 1 35 ILE HG12 1 35 ILE MG . . 2.970 2.338 2.234 2.505 . 0 0 "[ . 1 . 2]" 1
569 1 35 ILE HG12 1 81 LEU MD1 . . 3.890 3.442 3.214 3.698 . 0 0 "[ . 1 . 2]" 1
570 1 35 ILE HG12 1 110 THR MG . . 3.950 3.146 2.845 3.399 . 0 0 "[ . 1 . 2]" 1
571 1 35 ILE HG13 1 81 LEU MD1 . . 3.300 2.095 1.879 2.351 . 0 0 "[ . 1 . 2]" 1
572 1 35 ILE HG13 1 110 THR MG . . 3.220 3.072 2.816 3.223 0.003 6 0 "[ . 1 . 2]" 1
573 1 35 ILE MG 1 36 SER H . . 3.520 2.338 1.955 2.685 . 0 0 "[ . 1 . 2]" 1
574 1 35 ILE MG 1 36 SER HA . . 4.640 3.814 3.490 4.070 . 0 0 "[ . 1 . 2]" 1
575 1 35 ILE MG 1 36 SER QB . . 4.650 4.008 3.811 4.166 . 0 0 "[ . 1 . 2]" 1
576 1 35 ILE MG 1 37 VAL H . . 4.810 4.569 4.217 4.811 0.001 18 0 "[ . 1 . 2]" 1
577 1 35 ILE MG 1 37 VAL HA . . 4.770 4.283 4.142 4.423 . 0 0 "[ . 1 . 2]" 1
578 1 35 ILE MG 1 78 LEU HB3 . . 5.330 5.021 4.687 5.270 . 0 0 "[ . 1 . 2]" 1
579 1 35 ILE MG 1 78 LEU MD1 . . 3.730 2.690 2.225 3.099 . 0 0 "[ . 1 . 2]" 1
580 1 35 ILE MG 1 108 ALA MB . . 3.610 2.808 2.373 3.041 . 0 0 "[ . 1 . 2]" 1
581 1 35 ILE MG 1 110 THR MG . . 4.310 4.171 4.031 4.308 . 0 0 "[ . 1 . 2]" 1
582 1 36 SER H 1 36 SER HB2 . . 3.860 2.772 2.277 3.715 . 0 0 "[ . 1 . 2]" 1
583 1 36 SER H 1 36 SER QB . . 3.300 2.382 2.251 2.553 . 0 0 "[ . 1 . 2]" 1
584 1 36 SER H 1 36 SER HB3 . . 3.860 2.851 2.350 3.714 . 0 0 "[ . 1 . 2]" 1
585 1 36 SER H 1 37 VAL H . . 4.620 4.515 4.391 4.575 . 0 0 "[ . 1 . 2]" 1
586 1 36 SER HA 1 37 VAL H . . 2.930 2.215 2.158 2.312 . 0 0 "[ . 1 . 2]" 1
587 1 36 SER HA 1 37 VAL HB . . 4.680 4.651 4.557 4.686 0.006 11 0 "[ . 1 . 2]" 1
588 1 36 SER HA 1 37 VAL MG2 . . 4.250 3.419 3.178 3.569 . 0 0 "[ . 1 . 2]" 1
589 1 36 SER HA 1 77 ARG HB2 . . 5.500 4.064 3.687 4.567 . 0 0 "[ . 1 . 2]" 1
590 1 36 SER HA 1 77 ARG QG . . 4.390 3.799 3.472 4.309 . 0 0 "[ . 1 . 2]" 1
591 1 36 SER HA 1 78 LEU H . . 3.850 3.369 2.960 3.670 . 0 0 "[ . 1 . 2]" 1
592 1 36 SER QB 1 77 ARG HB2 . . 4.660 4.523 3.977 4.658 . 0 0 "[ . 1 . 2]" 1
593 1 36 SER QB 1 77 ARG QG . . 5.180 4.321 3.675 5.139 . 0 0 "[ . 1 . 2]" 1
594 1 36 SER HB2 1 37 VAL H . . 4.250 4.025 2.953 4.229 . 0 0 "[ . 1 . 2]" 1
595 1 36 SER HB3 1 37 VAL H . . 4.250 3.733 2.710 4.244 . 0 0 "[ . 1 . 2]" 1
596 1 37 VAL H 1 37 VAL HB . . 3.510 2.713 2.604 2.839 . 0 0 "[ . 1 . 2]" 1
597 1 37 VAL H 1 37 VAL MG1 . . 4.000 3.884 3.832 3.938 . 0 0 "[ . 1 . 2]" 1
598 1 37 VAL H 1 37 VAL MG2 . . 3.630 2.662 2.477 2.922 . 0 0 "[ . 1 . 2]" 1
599 1 37 VAL H 1 38 HIS H . . 4.720 4.108 3.919 4.355 . 0 0 "[ . 1 . 2]" 1
600 1 37 VAL H 1 38 HIS HA . . 4.860 4.784 4.655 4.860 . 4 0 "[ . 1 . 2]" 1
601 1 37 VAL H 1 76 ALA MB . . 4.300 3.505 3.207 3.812 . 0 0 "[ . 1 . 2]" 1
602 1 37 VAL H 1 91 VAL MG2 . . 5.500 5.479 5.407 5.512 0.012 6 0 "[ . 1 . 2]" 1
603 1 37 VAL HA 1 37 VAL MG1 . . 3.210 2.313 2.201 2.414 . 0 0 "[ . 1 . 2]" 1
604 1 37 VAL HA 1 37 VAL MG2 . . 3.520 2.414 2.317 2.506 . 0 0 "[ . 1 . 2]" 1
605 1 37 VAL HA 1 38 HIS HD2 . . 4.730 3.667 3.127 4.163 . 0 0 "[ . 1 . 2]" 1
606 1 37 VAL HB 1 38 HIS H . . 4.430 4.332 4.047 4.429 . 0 0 "[ . 1 . 2]" 1
607 1 37 VAL HB 1 39 TRP HE3 . . 4.680 3.542 3.310 3.770 . 0 0 "[ . 1 . 2]" 1
608 1 37 VAL HB 1 39 TRP HH2 . . 5.210 4.859 4.548 5.126 . 0 0 "[ . 1 . 2]" 1
609 1 37 VAL HB 1 39 TRP HZ3 . . 3.780 2.603 2.336 2.841 . 0 0 "[ . 1 . 2]" 1
610 1 37 VAL HB 1 52 ILE MD . . 4.140 4.040 3.773 4.146 0.006 6 0 "[ . 1 . 2]" 1
611 1 37 VAL HB 1 76 ALA H . . 4.160 3.057 2.808 3.393 . 0 0 "[ . 1 . 2]" 1
612 1 37 VAL HB 1 76 ALA MB . . 3.810 2.715 2.277 2.991 . 0 0 "[ . 1 . 2]" 1
613 1 37 VAL HB 1 78 LEU MD1 . . 5.500 4.496 4.130 4.942 . 0 0 "[ . 1 . 2]" 1
614 1 37 VAL HB 1 89 ILE MG . . 5.170 3.795 3.529 4.072 . 0 0 "[ . 1 . 2]" 1
615 1 37 VAL HB 1 91 VAL MG2 . . 4.610 3.327 3.182 3.600 . 0 0 "[ . 1 . 2]" 1
616 1 37 VAL MG1 1 38 HIS H . . 3.340 3.004 2.305 3.297 . 0 0 "[ . 1 . 2]" 1
617 1 37 VAL MG1 1 38 HIS HA . . 4.560 3.985 3.795 4.129 . 0 0 "[ . 1 . 2]" 1
618 1 37 VAL MG1 1 39 TRP H . . 5.070 4.644 4.065 5.070 . 0 0 "[ . 1 . 2]" 1
619 1 37 VAL MG1 1 39 TRP HB3 . . 3.750 3.551 3.368 3.712 . 0 0 "[ . 1 . 2]" 1
620 1 37 VAL MG1 1 39 TRP HE3 . . 3.240 2.215 1.974 2.581 . 0 0 "[ . 1 . 2]" 1
621 1 37 VAL MG1 1 39 TRP HH2 . . 5.230 4.990 4.546 5.230 . 0 0 "[ . 1 . 2]" 1
622 1 37 VAL MG1 1 39 TRP HZ3 . . 3.480 2.975 2.417 3.230 . 0 0 "[ . 1 . 2]" 1
623 1 37 VAL MG1 1 76 ALA H . . 4.610 4.067 3.816 4.363 . 0 0 "[ . 1 . 2]" 1
624 1 37 VAL MG1 1 89 ILE MD . . 3.930 3.714 3.438 3.890 . 0 0 "[ . 1 . 2]" 1
625 1 37 VAL MG1 1 89 ILE MG . . 3.290 2.135 1.922 2.353 . 0 0 "[ . 1 . 2]" 1
626 1 37 VAL MG1 1 91 VAL HB . . 4.470 3.733 3.529 3.979 . 0 0 "[ . 1 . 2]" 1
627 1 37 VAL MG1 1 91 VAL MG1 . . 4.020 3.448 2.961 3.854 . 0 0 "[ . 1 . 2]" 1
628 1 37 VAL MG1 1 91 VAL MG2 . . 3.060 1.733 1.633 1.851 . 0 0 "[ . 1 . 2]" 1
629 1 37 VAL MG2 1 38 HIS H . . 4.310 4.216 4.060 4.297 . 0 0 "[ . 1 . 2]" 1
630 1 37 VAL MG2 1 39 TRP HE3 . . 5.430 4.710 4.516 4.870 . 0 0 "[ . 1 . 2]" 1
631 1 37 VAL MG2 1 39 TRP HZ3 . . 4.380 4.192 3.925 4.378 . 0 0 "[ . 1 . 2]" 1
632 1 37 VAL MG2 1 76 ALA MB . . 4.160 3.427 3.090 3.715 . 0 0 "[ . 1 . 2]" 1
633 1 37 VAL MG2 1 78 LEU H . . 4.710 4.309 3.823 4.662 . 0 0 "[ . 1 . 2]" 1
634 1 37 VAL MG2 1 78 LEU HB2 . . 4.780 4.337 3.979 4.689 . 0 0 "[ . 1 . 2]" 1
635 1 37 VAL MG2 1 78 LEU HB3 . . 5.500 5.002 4.596 5.468 . 0 0 "[ . 1 . 2]" 1
636 1 37 VAL MG2 1 78 LEU MD1 . . 3.110 2.314 2.036 2.826 . 0 0 "[ . 1 . 2]" 1
637 1 37 VAL MG2 1 78 LEU HG . . 3.440 2.653 2.125 3.030 . 0 0 "[ . 1 . 2]" 1
638 1 37 VAL MG2 1 89 ILE MD . . 3.230 2.335 2.080 2.631 . 0 0 "[ . 1 . 2]" 1
639 1 37 VAL MG2 1 89 ILE HG12 . . 4.620 3.392 2.998 3.776 . 0 0 "[ . 1 . 2]" 1
640 1 37 VAL MG2 1 89 ILE MG . . 3.000 1.908 1.767 2.136 . 0 0 "[ . 1 . 2]" 1
641 1 38 HIS H 1 38 HIS QB . . 3.620 2.634 2.439 2.788 . 0 0 "[ . 1 . 2]" 1
642 1 38 HIS H 1 38 HIS HD2 . . 4.150 2.476 1.947 2.953 . 0 0 "[ . 1 . 2]" 1
643 1 38 HIS H 1 39 TRP H . . 5.500 4.493 4.314 4.573 . 0 0 "[ . 1 . 2]" 1
644 1 38 HIS H 1 39 TRP HE3 . . 4.560 4.224 3.698 4.524 . 0 0 "[ . 1 . 2]" 1
645 1 38 HIS HA 1 39 TRP H . . 3.100 2.228 2.140 2.376 . 0 0 "[ . 1 . 2]" 1
646 1 38 HIS HA 1 39 TRP HE3 . . 4.180 3.280 2.888 3.596 . 0 0 "[ . 1 . 2]" 1
647 1 38 HIS HA 1 39 TRP HZ3 . . 4.660 4.213 3.786 4.595 . 0 0 "[ . 1 . 2]" 1
648 1 38 HIS HA 1 75 SER H . . 4.760 4.702 4.570 4.759 . 0 0 "[ . 1 . 2]" 1
649 1 38 HIS HA 1 75 SER HA . . 3.560 2.381 2.179 2.583 . 0 0 "[ . 1 . 2]" 1
650 1 38 HIS HA 1 75 SER QB . . 4.120 2.095 1.899 2.568 . 0 0 "[ . 1 . 2]" 1
651 1 38 HIS HA 1 76 ALA H . . 4.080 3.659 3.264 3.879 . 0 0 "[ . 1 . 2]" 1
652 1 38 HIS QB 1 39 TRP HA . . 5.160 4.036 3.881 4.238 . 0 0 "[ . 1 . 2]" 1
653 1 38 HIS QB 1 75 SER HA . . 5.340 4.227 3.905 4.503 . 0 0 "[ . 1 . 2]" 1
654 1 38 HIS QB 1 75 SER QB . . 4.040 2.827 2.299 3.365 . 0 0 "[ . 1 . 2]" 1
655 1 38 HIS HB2 1 39 TRP H . . 4.090 3.847 3.433 4.094 0.004 16 0 "[ . 1 . 2]" 1
656 1 38 HIS HB3 1 39 TRP H . . 4.090 3.042 2.555 3.641 . 0 0 "[ . 1 . 2]" 1
657 1 38 HIS HE1 1 75 SER QB . . 5.470 3.563 3.207 3.848 . 0 0 "[ . 1 . 2]" 1
658 1 39 TRP H 1 39 TRP HB3 . . 3.950 3.306 3.070 3.479 . 0 0 "[ . 1 . 2]" 1
659 1 39 TRP H 1 39 TRP HD1 . . 4.620 4.361 4.211 4.613 . 0 0 "[ . 1 . 2]" 1
660 1 39 TRP H 1 39 TRP HE1 . . 5.500 5.196 4.926 5.448 . 0 0 "[ . 1 . 2]" 1
661 1 39 TRP H 1 39 TRP HE3 . . 3.900 3.301 2.681 3.813 . 0 0 "[ . 1 . 2]" 1
662 1 39 TRP H 1 40 GLU H . . 4.730 4.400 4.334 4.459 . 0 0 "[ . 1 . 2]" 1
663 1 39 TRP H 1 74 TYR HA . . 5.100 4.525 4.172 4.835 . 0 0 "[ . 1 . 2]" 1
664 1 39 TRP H 1 74 TYR QB . . 4.720 3.957 3.647 4.326 . 0 0 "[ . 1 . 2]" 1
665 1 39 TRP H 1 74 TYR QD . . 5.090 4.666 4.306 4.954 . 0 0 "[ . 1 . 2]" 1
666 1 39 TRP H 1 75 SER H . . 5.500 5.076 4.873 5.373 . 0 0 "[ . 1 . 2]" 1
667 1 39 TRP H 1 75 SER QB . . 5.500 3.527 3.223 4.354 . 0 0 "[ . 1 . 2]" 1
668 1 39 TRP HA 1 39 TRP HD1 . . 4.810 4.395 4.272 4.510 . 0 0 "[ . 1 . 2]" 1
669 1 39 TRP HA 1 40 GLU H . . 3.100 2.476 2.368 2.653 . 0 0 "[ . 1 . 2]" 1
670 1 39 TRP HA 1 40 GLU QB . . 4.690 4.059 3.993 4.138 . 0 0 "[ . 1 . 2]" 1
671 1 39 TRP HB2 1 40 GLU H . . 3.420 2.309 1.961 2.542 . 0 0 "[ . 1 . 2]" 1
672 1 39 TRP HB2 1 91 VAL MG2 . . 4.930 4.307 3.591 4.832 . 0 0 "[ . 1 . 2]" 1
673 1 39 TRP HB3 1 39 TRP HE3 . . 4.180 2.544 2.463 2.619 . 0 0 "[ . 1 . 2]" 1
674 1 39 TRP HB3 1 40 GLU H . . 3.860 3.708 3.481 3.860 . 0 0 "[ . 1 . 2]" 1
675 1 39 TRP HB3 1 91 VAL MG2 . . 4.820 3.064 2.202 3.621 . 0 0 "[ . 1 . 2]" 1
676 1 39 TRP HD1 1 40 GLU H . . 4.370 3.366 2.988 3.660 . 0 0 "[ . 1 . 2]" 1
677 1 39 TRP HD1 1 41 HIS HD2 . . 3.790 3.248 2.791 3.492 . 0 0 "[ . 1 . 2]" 1
678 1 39 TRP HD1 1 42 VAL H . . 4.750 4.621 4.361 4.751 0.001 6 0 "[ . 1 . 2]" 1
679 1 39 TRP HD1 1 42 VAL MG1 . . 4.690 4.404 4.147 4.620 . 0 0 "[ . 1 . 2]" 1
680 1 39 TRP HD1 1 50 TYR QD . . 4.580 4.129 3.662 4.528 . 0 0 "[ . 1 . 2]" 1
681 1 39 TRP HD1 1 50 TYR QE . . 4.320 3.509 3.016 4.096 . 0 0 "[ . 1 . 2]" 1
682 1 39 TRP HE1 1 41 HIS HD2 . . 3.460 2.931 2.406 3.457 . 0 0 "[ . 1 . 2]" 1
683 1 39 TRP HE1 1 42 VAL H . . 5.500 5.219 4.981 5.484 . 0 0 "[ . 1 . 2]" 1
684 1 39 TRP HE1 1 50 TYR QB . . 4.510 3.561 3.146 3.808 . 0 0 "[ . 1 . 2]" 1
685 1 39 TRP HE1 1 50 TYR QD . . 3.820 3.126 2.895 3.424 . 0 0 "[ . 1 . 2]" 1
686 1 39 TRP HE1 1 50 TYR QE . . 3.810 3.068 2.783 3.330 . 0 0 "[ . 1 . 2]" 1
687 1 39 TRP HE1 1 74 TYR HA . . 4.050 3.687 3.238 4.014 . 0 0 "[ . 1 . 2]" 1
688 1 39 TRP HE3 1 52 ILE MD . . 5.120 4.395 4.078 4.967 . 0 0 "[ . 1 . 2]" 1
689 1 39 TRP HE3 1 52 ILE HG12 . . 5.500 4.192 3.683 4.870 . 0 0 "[ . 1 . 2]" 1
690 1 39 TRP HE3 1 75 SER HA . . 4.790 3.255 2.925 3.548 . 0 0 "[ . 1 . 2]" 1
691 1 39 TRP HE3 1 91 VAL MG1 . . 4.460 2.951 2.527 3.396 . 0 0 "[ . 1 . 2]" 1
692 1 39 TRP HE3 1 91 VAL MG2 . . 4.110 2.395 1.980 2.980 . 0 0 "[ . 1 . 2]" 1
693 1 39 TRP HH2 1 50 TYR QB . . 4.700 3.374 3.012 3.954 . 0 0 "[ . 1 . 2]" 1
694 1 39 TRP HH2 1 52 ILE MD . . 3.760 2.419 2.040 2.840 . 0 0 "[ . 1 . 2]" 1
695 1 39 TRP HH2 1 52 ILE HG12 . . 4.920 3.994 3.625 4.380 . 0 0 "[ . 1 . 2]" 1
696 1 39 TRP HH2 1 52 ILE HG13 . . 5.500 4.536 4.111 4.910 . 0 0 "[ . 1 . 2]" 1
697 1 39 TRP HH2 1 69 VAL MG1 . . 4.020 3.718 3.387 4.020 . 0 0 "[ . 1 . 2]" 1
698 1 39 TRP HH2 1 69 VAL MG2 . . 3.160 2.137 1.919 2.422 . 0 0 "[ . 1 . 2]" 1
699 1 39 TRP HH2 1 73 GLU QB . . 5.160 3.734 3.246 3.974 . 0 0 "[ . 1 . 2]" 1
700 1 39 TRP HH2 1 75 SER HA . . 4.650 3.559 3.314 3.959 . 0 0 "[ . 1 . 2]" 1
701 1 39 TRP HH2 1 76 ALA H . . 4.440 3.744 3.342 4.120 . 0 0 "[ . 1 . 2]" 1
702 1 39 TRP HH2 1 76 ALA MB . . 3.520 2.113 1.979 2.270 . 0 0 "[ . 1 . 2]" 1
703 1 39 TRP HH2 1 91 VAL MG1 . . 5.500 4.190 3.802 4.537 . 0 0 "[ . 1 . 2]" 1
704 1 39 TRP HZ2 1 50 TYR HB2 . . 4.170 2.469 2.143 2.918 . 0 0 "[ . 1 . 2]" 1
705 1 39 TRP HZ2 1 50 TYR QB . . 3.560 2.424 2.110 2.844 . 0 0 "[ . 1 . 2]" 1
706 1 39 TRP HZ2 1 50 TYR HB3 . . 4.170 3.558 3.019 4.095 . 0 0 "[ . 1 . 2]" 1
707 1 39 TRP HZ2 1 50 TYR QD . . 3.820 2.853 2.427 3.710 . 0 0 "[ . 1 . 2]" 1
708 1 39 TRP HZ2 1 52 ILE MD . . 4.130 3.772 3.416 4.087 . 0 0 "[ . 1 . 2]" 1
709 1 39 TRP HZ2 1 69 VAL MG1 . . 5.400 5.101 4.684 5.396 . 0 0 "[ . 1 . 2]" 1
710 1 39 TRP HZ2 1 69 VAL MG2 . . 3.230 2.767 2.335 3.118 . 0 0 "[ . 1 . 2]" 1
711 1 39 TRP HZ2 1 73 GLU H . . 5.500 4.969 4.579 5.285 . 0 0 "[ . 1 . 2]" 1
712 1 39 TRP HZ2 1 73 GLU QB . . 4.450 3.669 3.201 3.958 . 0 0 "[ . 1 . 2]" 1
713 1 39 TRP HZ2 1 74 TYR HA . . 4.530 4.283 3.941 4.518 . 0 0 "[ . 1 . 2]" 1
714 1 39 TRP HZ2 1 76 ALA MB . . 4.460 4.296 4.153 4.461 0.001 14 0 "[ . 1 . 2]" 1
715 1 39 TRP HZ3 1 52 ILE MD . . 3.640 2.865 2.519 3.430 . 0 0 "[ . 1 . 2]" 1
716 1 39 TRP HZ3 1 52 ILE HG12 . . 4.470 2.787 2.206 3.390 . 0 0 "[ . 1 . 2]" 1
717 1 39 TRP HZ3 1 52 ILE HG13 . . 5.020 3.800 3.170 4.313 . 0 0 "[ . 1 . 2]" 1
718 1 39 TRP HZ3 1 75 SER HA . . 4.420 2.894 2.474 3.447 . 0 0 "[ . 1 . 2]" 1
719 1 39 TRP HZ3 1 75 SER QB . . 4.940 4.121 3.784 4.675 . 0 0 "[ . 1 . 2]" 1
720 1 39 TRP HZ3 1 76 ALA H . . 3.690 2.504 1.977 2.961 . 0 0 "[ . 1 . 2]" 1
721 1 39 TRP HZ3 1 76 ALA MB . . 3.380 2.193 1.910 2.396 . 0 0 "[ . 1 . 2]" 1
722 1 39 TRP HZ3 1 91 VAL MG1 . . 5.050 3.711 3.287 4.147 . 0 0 "[ . 1 . 2]" 1
723 1 39 TRP HZ3 1 91 VAL MG2 . . 4.990 3.131 2.808 3.650 . 0 0 "[ . 1 . 2]" 1
724 1 40 GLU H 1 40 GLU HB2 . . 3.610 2.651 2.397 3.580 . 0 0 "[ . 1 . 2]" 1
725 1 40 GLU H 1 40 GLU QB . . 3.150 2.346 2.267 2.424 . 0 0 "[ . 1 . 2]" 1
726 1 40 GLU H 1 40 GLU HB3 . . 3.610 2.696 2.336 2.865 . 0 0 "[ . 1 . 2]" 1
727 1 40 GLU H 1 40 GLU HG2 . . 4.660 4.485 2.705 4.666 0.006 5 0 "[ . 1 . 2]" 1
728 1 40 GLU H 1 40 GLU QG . . 4.070 3.951 2.665 4.066 . 0 0 "[ . 1 . 2]" 1
729 1 40 GLU H 1 40 GLU HG3 . . 4.660 4.432 4.011 4.628 . 0 0 "[ . 1 . 2]" 1
730 1 40 GLU HA 1 40 GLU HG2 . . 4.160 3.046 2.253 3.871 . 0 0 "[ . 1 . 2]" 1
731 1 40 GLU HA 1 40 GLU QG . . 3.360 2.436 2.223 3.269 . 0 0 "[ . 1 . 2]" 1
732 1 40 GLU HA 1 40 GLU HG3 . . 4.160 2.659 2.293 3.678 . 0 0 "[ . 1 . 2]" 1
733 1 40 GLU HA 1 41 HIS H . . 2.870 2.204 2.145 2.335 . 0 0 "[ . 1 . 2]" 1
734 1 40 GLU HA 1 41 HIS HB2 . . 4.830 4.373 4.320 4.460 . 0 0 "[ . 1 . 2]" 1
735 1 40 GLU HA 1 74 TYR QD . . 3.760 3.279 2.772 3.599 . 0 0 "[ . 1 . 2]" 1
736 1 40 GLU HA 1 74 TYR QE . . 4.160 3.842 3.083 4.140 . 0 0 "[ . 1 . 2]" 1
737 1 40 GLU QB 1 41 HIS H . . 3.720 3.542 2.745 3.720 . 0 0 "[ . 1 . 2]" 1
738 1 40 GLU HB2 1 41 HIS H . . 4.420 4.166 2.790 4.413 . 0 0 "[ . 1 . 2]" 1
739 1 40 GLU HB3 1 41 HIS H . . 4.420 3.886 3.555 4.073 . 0 0 "[ . 1 . 2]" 1
740 1 40 GLU QG 1 41 HIS H . . 3.500 2.563 2.068 3.050 . 0 0 "[ . 1 . 2]" 1
741 1 40 GLU HG2 1 41 HIS H . . 3.990 3.089 2.190 3.996 0.006 16 0 "[ . 1 . 2]" 1
742 1 40 GLU HG3 1 41 HIS H . . 3.990 3.163 2.078 3.887 . 0 0 "[ . 1 . 2]" 1
743 1 41 HIS H 1 41 HIS HB2 . . 3.210 2.218 2.183 2.351 . 0 0 "[ . 1 . 2]" 1
744 1 41 HIS H 1 41 HIS HB3 . . 3.720 3.511 3.488 3.569 . 0 0 "[ . 1 . 2]" 1
745 1 41 HIS H 1 41 HIS HD2 . . 4.250 3.239 2.809 3.716 . 0 0 "[ . 1 . 2]" 1
746 1 41 HIS H 1 42 VAL H . . 4.610 4.567 4.528 4.610 0.000 14 0 "[ . 1 . 2]" 1
747 1 41 HIS H 1 74 TYR QD . . 4.230 3.285 2.892 3.898 . 0 0 "[ . 1 . 2]" 1
748 1 41 HIS H 1 74 TYR QE . . 3.770 2.631 2.080 3.149 . 0 0 "[ . 1 . 2]" 1
749 1 41 HIS HB2 1 42 VAL H . . 4.380 4.331 4.251 4.382 0.002 18 0 "[ . 1 . 2]" 1
750 1 41 HIS HB2 1 74 TYR QE . . 4.420 2.480 2.081 2.951 . 0 0 "[ . 1 . 2]" 1
751 1 41 HIS HB3 1 42 VAL H . . 3.810 3.261 3.102 3.367 . 0 0 "[ . 1 . 2]" 1
752 1 41 HIS HB3 1 74 TYR QE . . 4.680 4.032 3.602 4.481 . 0 0 "[ . 1 . 2]" 1
753 1 41 HIS HD2 1 42 VAL H . . 4.600 4.387 3.944 4.601 0.001 6 0 "[ . 1 . 2]" 1
754 1 41 HIS HD2 1 50 TYR QE . . 4.290 3.916 3.467 4.246 . 0 0 "[ . 1 . 2]" 1
755 1 41 HIS HD2 1 74 TYR HA . . 4.540 2.958 2.660 3.455 . 0 0 "[ . 1 . 2]" 1
756 1 41 HIS HD2 1 74 TYR QD . . 4.400 3.363 2.737 4.034 . 0 0 "[ . 1 . 2]" 1
757 1 41 HIS HE1 1 72 GLN HA . . 3.650 2.730 2.000 3.634 . 0 0 "[ . 1 . 2]" 1
758 1 41 HIS HE1 1 74 TYR HA . . 5.360 4.547 3.997 5.105 . 0 0 "[ . 1 . 2]" 1
759 1 41 HIS HE1 1 74 TYR QD . . 4.870 3.668 3.083 4.147 . 0 0 "[ . 1 . 2]" 1
760 1 41 HIS HE1 1 74 TYR QE . . 4.290 2.990 2.662 3.447 . 0 0 "[ . 1 . 2]" 1
761 1 42 VAL H 1 42 VAL HB . . 3.940 3.630 3.600 3.678 . 0 0 "[ . 1 . 2]" 1
762 1 42 VAL H 1 42 VAL MG1 . . 3.780 2.427 2.183 2.668 . 0 0 "[ . 1 . 2]" 1
763 1 42 VAL H 1 42 VAL MG2 . . 3.210 2.038 1.872 2.193 . 0 0 "[ . 1 . 2]" 1
764 1 42 VAL H 1 47 VAL MG1 . . 4.860 4.644 4.467 4.859 . 0 0 "[ . 1 . 2]" 1
765 1 42 VAL H 1 50 TYR QE . . 4.200 3.325 2.713 3.853 . 0 0 "[ . 1 . 2]" 1
766 1 42 VAL HA 1 42 VAL MG1 . . 3.240 2.314 2.158 2.420 . 0 0 "[ . 1 . 2]" 1
767 1 42 VAL HA 1 43 LEU H . . 3.210 2.307 2.182 2.503 . 0 0 "[ . 1 . 2]" 1
768 1 42 VAL HA 1 43 LEU HB3 . . 5.110 4.659 4.496 4.845 . 0 0 "[ . 1 . 2]" 1
769 1 42 VAL HA 1 43 LEU MD2 . . 4.920 4.741 4.596 4.913 . 0 0 "[ . 1 . 2]" 1
770 1 42 VAL HA 1 43 LEU HG . . 4.530 4.078 3.709 4.449 . 0 0 "[ . 1 . 2]" 1
771 1 42 VAL HB 1 43 LEU H . . 3.720 2.670 2.172 3.066 . 0 0 "[ . 1 . 2]" 1
772 1 42 VAL HB 1 43 LEU HA . . 5.270 4.858 4.539 5.087 . 0 0 "[ . 1 . 2]" 1
773 1 42 VAL HB 1 43 LEU HG . . 4.560 3.438 3.304 3.561 . 0 0 "[ . 1 . 2]" 1
774 1 42 VAL HB 1 44 GLU H . . 4.430 2.507 2.351 2.696 . 0 0 "[ . 1 . 2]" 1
775 1 42 VAL HB 1 47 VAL MG1 . . 4.200 4.106 3.914 4.196 . 0 0 "[ . 1 . 2]" 1
776 1 42 VAL MG1 1 43 LEU H . . 3.920 3.717 3.398 3.914 . 0 0 "[ . 1 . 2]" 1
777 1 42 VAL MG1 1 50 TYR QE . . 3.640 2.713 2.358 3.245 . 0 0 "[ . 1 . 2]" 1
778 1 42 VAL MG1 1 93 ALA MB . . 3.400 2.668 2.137 3.204 . 0 0 "[ . 1 . 2]" 1
779 1 42 VAL MG2 1 43 LEU H . . 4.290 3.654 3.122 3.941 . 0 0 "[ . 1 . 2]" 1
780 1 42 VAL MG2 1 43 LEU HA . . 5.380 4.488 4.057 4.793 . 0 0 "[ . 1 . 2]" 1
781 1 42 VAL MG2 1 44 GLU H . . 4.190 2.452 1.877 2.797 . 0 0 "[ . 1 . 2]" 1
782 1 42 VAL MG2 1 44 GLU HA . . 4.740 4.153 3.912 4.344 . 0 0 "[ . 1 . 2]" 1
783 1 42 VAL MG2 1 44 GLU QB . . 3.870 2.328 1.959 3.524 . 0 0 "[ . 1 . 2]" 1
784 1 42 VAL MG2 1 44 GLU QG . . 4.450 3.651 1.828 4.391 . 0 0 "[ . 1 . 2]" 1
785 1 42 VAL MG2 1 45 LYS HA . . 5.500 4.179 3.714 4.842 . 0 0 "[ . 1 . 2]" 1
786 1 42 VAL MG2 1 47 VAL HB . . 4.230 4.032 3.716 4.230 0.000 17 0 "[ . 1 . 2]" 1
787 1 42 VAL MG2 1 47 VAL MG1 . . 3.070 2.033 1.860 2.156 . 0 0 "[ . 1 . 2]" 1
788 1 42 VAL MG2 1 47 VAL MG2 . . 4.010 2.630 2.330 3.035 . 0 0 "[ . 1 . 2]" 1
789 1 42 VAL MG2 1 50 TYR QE . . 3.960 2.914 1.981 3.613 . 0 0 "[ . 1 . 2]" 1
790 1 42 VAL MG2 1 93 ALA MB . . 3.580 2.550 2.175 2.763 . 0 0 "[ . 1 . 2]" 1
791 1 43 LEU H 1 43 LEU HB2 . . 3.900 3.589 3.574 3.625 . 0 0 "[ . 1 . 2]" 1
792 1 43 LEU H 1 43 LEU HB3 . . 3.640 2.657 2.528 2.747 . 0 0 "[ . 1 . 2]" 1
793 1 43 LEU H 1 43 LEU MD1 . . 3.690 3.490 3.331 3.681 . 0 0 "[ . 1 . 2]" 1
794 1 43 LEU H 1 43 LEU MD2 . . 3.990 3.135 3.029 3.295 . 0 0 "[ . 1 . 2]" 1
795 1 43 LEU H 1 43 LEU HG . . 3.660 2.000 1.905 2.210 . 0 0 "[ . 1 . 2]" 1
796 1 43 LEU H 1 44 GLU H . . 3.790 2.642 2.330 2.894 . 0 0 "[ . 1 . 2]" 1
797 1 43 LEU H 1 44 GLU QB . . 5.000 4.590 4.262 4.911 . 0 0 "[ . 1 . 2]" 1
798 1 43 LEU HA 1 43 LEU MD1 . . 4.020 3.649 3.601 3.739 . 0 0 "[ . 1 . 2]" 1
799 1 43 LEU HA 1 43 LEU HG . . 3.810 3.655 3.589 3.692 . 0 0 "[ . 1 . 2]" 1
800 1 43 LEU HB2 1 43 LEU MD1 . . 3.240 2.173 1.998 2.239 . 0 0 "[ . 1 . 2]" 1
801 1 43 LEU HB2 1 43 LEU MD2 . . 3.250 2.629 2.526 2.703 . 0 0 "[ . 1 . 2]" 1
802 1 43 LEU HB2 1 44 GLU H . . 4.550 3.990 3.614 4.349 . 0 0 "[ . 1 . 2]" 1
803 1 43 LEU HB3 1 43 LEU MD1 . . 3.240 3.135 3.105 3.153 . 0 0 "[ . 1 . 2]" 1
804 1 43 LEU HB3 1 43 LEU MD2 . . 3.600 2.117 1.987 2.216 . 0 0 "[ . 1 . 2]" 1
805 1 43 LEU HB3 1 44 GLU H . . 4.390 4.226 4.123 4.390 0.000 17 0 "[ . 1 . 2]" 1
806 1 44 GLU H 1 44 GLU QB . . 3.470 2.325 2.184 2.668 . 0 0 "[ . 1 . 2]" 1
807 1 44 GLU H 1 44 GLU HG2 . . 4.170 3.072 2.132 4.133 . 0 0 "[ . 1 . 2]" 1
808 1 44 GLU H 1 44 GLU HG3 . . 4.170 3.599 2.712 4.127 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLU HA 1 44 GLU HG2 . . 4.130 2.780 2.156 3.625 . 0 0 "[ . 1 . 2]" 1
810 1 44 GLU HA 1 44 GLU HG3 . . 4.130 3.475 2.300 4.217 0.087 8 0 "[ . 1 . 2]" 1
811 1 44 GLU HA 1 45 LYS HA . . 4.460 4.412 4.378 4.475 0.015 10 0 "[ . 1 . 2]" 1
812 1 44 GLU QB 1 45 LYS HA . . 4.700 4.431 4.276 4.548 . 0 0 "[ . 1 . 2]" 1
813 1 44 GLU QB 1 46 ILE H . . 4.520 2.766 2.554 3.241 . 0 0 "[ . 1 . 2]" 1
814 1 44 GLU QB 1 46 ILE MD . . 4.160 3.277 2.926 3.949 . 0 0 "[ . 1 . 2]" 1
815 1 44 GLU QB 1 46 ILE QG . . 3.940 2.171 1.962 2.781 . 0 0 "[ . 1 . 2]" 1
816 1 44 GLU QB 1 47 VAL MG1 . . 3.660 2.446 1.713 3.150 . 0 0 "[ . 1 . 2]" 1
817 1 44 GLU QB 1 93 ALA MB . . 5.020 4.425 3.664 5.019 . 0 0 "[ . 1 . 2]" 1
818 1 44 GLU QG 1 46 ILE MD . . 4.460 3.954 3.411 4.462 0.002 10 0 "[ . 1 . 2]" 1
819 1 44 GLU QG 1 46 ILE QG . . 4.500 3.559 2.952 4.210 . 0 0 "[ . 1 . 2]" 1
820 1 44 GLU QG 1 47 VAL MG1 . . 4.840 3.822 1.951 4.806 . 0 0 "[ . 1 . 2]" 1
821 1 44 GLU HG2 1 47 VAL MG1 . . 5.500 4.566 2.190 5.431 . 0 0 "[ . 1 . 2]" 1
822 1 44 GLU HG3 1 47 VAL MG1 . . 5.500 4.168 2.191 5.403 . 0 0 "[ . 1 . 2]" 1
823 1 45 LYS HA 1 45 LYS QD . . 4.050 3.100 2.007 4.071 0.021 11 0 "[ . 1 . 2]" 1
824 1 45 LYS HA 1 45 LYS QE . . 4.810 4.127 3.367 4.794 . 0 0 "[ . 1 . 2]" 1
825 1 45 LYS HA 1 45 LYS HG2 . . 3.900 2.966 2.164 3.668 . 0 0 "[ . 1 . 2]" 1
826 1 45 LYS HA 1 45 LYS HG3 . . 3.900 2.861 2.196 3.781 . 0 0 "[ . 1 . 2]" 1
827 1 45 LYS QB 1 46 ILE MG . . 4.700 3.685 3.300 3.929 . 0 0 "[ . 1 . 2]" 1
828 1 46 ILE H 1 46 ILE MD . . 4.540 3.705 3.451 3.889 . 0 0 "[ . 1 . 2]" 1
829 1 46 ILE H 1 46 ILE QG . . 3.880 2.066 1.886 2.250 . 0 0 "[ . 1 . 2]" 1
830 1 46 ILE H 1 46 ILE MG . . 3.760 2.447 2.165 2.830 . 0 0 "[ . 1 . 2]" 1
831 1 46 ILE H 1 47 VAL H . . 3.870 2.414 2.171 2.786 . 0 0 "[ . 1 . 2]" 1
832 1 46 ILE H 1 47 VAL MG1 . . 5.390 3.491 3.135 3.816 . 0 0 "[ . 1 . 2]" 1
833 1 46 ILE HA 1 46 ILE MD . . 4.300 3.975 3.567 4.178 . 0 0 "[ . 1 . 2]" 1
834 1 46 ILE HA 1 46 ILE QG . . 3.890 3.333 3.302 3.412 . 0 0 "[ . 1 . 2]" 1
835 1 46 ILE HA 1 46 ILE MG . . 3.020 2.316 2.167 2.449 . 0 0 "[ . 1 . 2]" 1
836 1 46 ILE HA 1 47 VAL H . . 3.490 3.403 2.988 3.462 . 0 0 "[ . 1 . 2]" 1
837 1 46 ILE HB 1 46 ILE MD . . 3.290 2.196 2.104 2.354 . 0 0 "[ . 1 . 2]" 1
838 1 46 ILE HB 1 95 ASN HD21 . . 4.140 2.860 2.153 3.702 . 0 0 "[ . 1 . 2]" 1
839 1 46 ILE HB 1 95 ASN QD . . 3.490 2.726 2.127 3.275 . 0 0 "[ . 1 . 2]" 1
840 1 46 ILE HB 1 95 ASN HD22 . . 4.140 3.569 3.048 4.055 . 0 0 "[ . 1 . 2]" 1
841 1 46 ILE MD 1 47 VAL HA . . 4.780 3.687 2.241 4.688 . 0 0 "[ . 1 . 2]" 1
842 1 46 ILE MD 1 95 ASN HD21 . . 3.950 2.523 1.883 3.446 . 0 0 "[ . 1 . 2]" 1
843 1 46 ILE MD 1 95 ASN QD . . 3.450 2.028 1.651 2.429 . 0 0 "[ . 1 . 2]" 1
844 1 46 ILE MD 1 95 ASN HD22 . . 3.950 2.210 1.757 2.923 . 0 0 "[ . 1 . 2]" 1
845 1 46 ILE QG 1 46 ILE MG . . 3.300 2.090 1.947 2.224 . 0 0 "[ . 1 . 2]" 1
846 1 46 ILE QG 1 47 VAL H . . 4.740 2.432 2.158 3.451 . 0 0 "[ . 1 . 2]" 1
847 1 46 ILE QG 1 95 ASN HD21 . . 4.740 3.780 2.675 4.556 . 0 0 "[ . 1 . 2]" 1
848 1 46 ILE QG 1 95 ASN QD . . 3.960 3.415 2.607 3.898 . 0 0 "[ . 1 . 2]" 1
849 1 46 ILE QG 1 95 ASN HD22 . . 4.740 3.962 3.475 4.718 . 0 0 "[ . 1 . 2]" 1
850 1 46 ILE MG 1 47 VAL H . . 4.460 4.060 3.957 4.330 . 0 0 "[ . 1 . 2]" 1
851 1 46 ILE MG 1 95 ASN HD21 . . 5.170 4.308 3.624 4.882 . 0 0 "[ . 1 . 2]" 1
852 1 46 ILE MG 1 95 ASN QD . . 4.310 3.948 3.429 4.301 . 0 0 "[ . 1 . 2]" 1
853 1 46 ILE MG 1 95 ASN HD22 . . 5.170 4.612 4.055 5.012 . 0 0 "[ . 1 . 2]" 1
854 1 47 VAL H 1 47 VAL HB . . 3.760 3.614 3.601 3.681 . 0 0 "[ . 1 . 2]" 1
855 1 47 VAL H 1 47 VAL MG1 . . 3.690 1.968 1.871 2.243 . 0 0 "[ . 1 . 2]" 1
856 1 47 VAL H 1 47 VAL MG2 . . 4.080 2.268 2.020 2.376 . 0 0 "[ . 1 . 2]" 1
857 1 47 VAL HA 1 47 VAL MG1 . . 3.600 2.429 2.348 2.476 . 0 0 "[ . 1 . 2]" 1
858 1 47 VAL HA 1 47 VAL MG2 . . 3.570 3.195 3.185 3.202 . 0 0 "[ . 1 . 2]" 1
859 1 47 VAL HA 1 48 GLU H . . 3.560 2.200 2.142 2.375 . 0 0 "[ . 1 . 2]" 1
860 1 47 VAL HA 1 48 GLU HA . . 5.260 4.371 4.334 4.411 . 0 0 "[ . 1 . 2]" 1
861 1 47 VAL HA 1 48 GLU QG . . 5.500 4.372 3.816 5.511 0.011 18 0 "[ . 1 . 2]" 1
862 1 47 VAL HA 1 49 SER H . . 4.650 4.190 3.901 4.577 . 0 0 "[ . 1 . 2]" 1
863 1 47 VAL HA 1 93 ALA MB . . 5.130 4.272 3.853 4.690 . 0 0 "[ . 1 . 2]" 1
864 1 47 VAL HA 1 95 ASN H . . 5.110 3.723 3.162 4.311 . 0 0 "[ . 1 . 2]" 1
865 1 47 VAL HA 1 95 ASN HA . . 5.420 3.636 2.826 4.278 . 0 0 "[ . 1 . 2]" 1
866 1 47 VAL HA 1 95 ASN HB2 . . 4.720 3.873 2.203 4.490 . 0 0 "[ . 1 . 2]" 1
867 1 47 VAL HA 1 95 ASN QB . . 3.960 2.237 1.990 2.720 . 0 0 "[ . 1 . 2]" 1
868 1 47 VAL HA 1 95 ASN HB3 . . 4.720 2.331 1.998 3.843 . 0 0 "[ . 1 . 2]" 1
869 1 47 VAL HA 1 95 ASN QD . . 4.560 4.009 2.484 4.570 0.010 17 0 "[ . 1 . 2]" 1
870 1 47 VAL HB 1 93 ALA MB . . 4.350 2.536 2.158 2.946 . 0 0 "[ . 1 . 2]" 1
871 1 47 VAL HB 1 95 ASN QB . . 5.340 4.344 3.984 4.777 . 0 0 "[ . 1 . 2]" 1
872 1 47 VAL MG1 1 48 GLU H . . 4.720 4.003 3.714 4.201 . 0 0 "[ . 1 . 2]" 1
873 1 47 VAL MG1 1 50 TYR QE . . 4.640 4.128 3.455 4.574 . 0 0 "[ . 1 . 2]" 1
874 1 47 VAL MG1 1 93 ALA HA . . 4.420 4.063 3.681 4.392 . 0 0 "[ . 1 . 2]" 1
875 1 47 VAL MG1 1 93 ALA MB . . 3.160 2.033 1.841 2.271 . 0 0 "[ . 1 . 2]" 1
876 1 47 VAL MG1 1 94 CYS H . . 4.830 3.666 2.944 4.336 . 0 0 "[ . 1 . 2]" 1
877 1 47 VAL MG2 1 48 GLU H . . 4.210 3.795 3.380 4.082 . 0 0 "[ . 1 . 2]" 1
878 1 47 VAL MG2 1 48 GLU HA . . 5.070 4.224 3.728 4.542 . 0 0 "[ . 1 . 2]" 1
879 1 47 VAL MG2 1 48 GLU QG . . 5.500 5.311 4.750 5.500 . 0 0 "[ . 1 . 2]" 1
880 1 47 VAL MG2 1 49 SER H . . 4.150 3.907 3.565 4.156 0.006 10 0 "[ . 1 . 2]" 1
881 1 47 VAL MG2 1 50 TYR QD . . 4.580 4.201 3.808 4.581 0.001 8 0 "[ . 1 . 2]" 1
882 1 47 VAL MG2 1 50 TYR QE . . 4.050 3.212 2.685 3.686 . 0 0 "[ . 1 . 2]" 1
883 1 47 VAL MG2 1 71 SER HA . . 4.210 4.108 3.856 4.208 . 0 0 "[ . 1 . 2]" 1
884 1 47 VAL MG2 1 71 SER HB2 . . 3.930 3.113 2.423 3.921 . 0 0 "[ . 1 . 2]" 1
885 1 47 VAL MG2 1 71 SER HB3 . . 3.930 3.397 2.902 3.875 . 0 0 "[ . 1 . 2]" 1
886 1 47 VAL MG2 1 93 ALA HA . . 5.440 4.563 4.131 5.137 . 0 0 "[ . 1 . 2]" 1
887 1 47 VAL MG2 1 93 ALA MB . . 3.390 2.851 2.390 3.311 . 0 0 "[ . 1 . 2]" 1
888 1 47 VAL MG2 1 94 CYS H . . 4.990 4.486 3.794 4.982 . 0 0 "[ . 1 . 2]" 1
889 1 48 GLU H 1 48 GLU QB . . 3.380 2.316 2.181 2.640 . 0 0 "[ . 1 . 2]" 1
890 1 48 GLU H 1 49 SER H . . 3.140 2.572 2.094 3.091 . 0 0 "[ . 1 . 2]" 1
891 1 48 GLU H 1 95 ASN HB2 . . 4.800 3.442 2.857 4.041 . 0 0 "[ . 1 . 2]" 1
892 1 48 GLU H 1 95 ASN QB . . 4.030 2.354 1.921 3.175 . 0 0 "[ . 1 . 2]" 1
893 1 48 GLU H 1 95 ASN HB3 . . 4.800 2.461 1.948 4.513 . 0 0 "[ . 1 . 2]" 1
894 1 48 GLU HA 1 48 GLU QG . . 3.690 2.664 2.193 3.339 . 0 0 "[ . 1 . 2]" 1
895 1 48 GLU QB 1 49 SER H . . 3.700 2.593 2.256 3.533 . 0 0 "[ . 1 . 2]" 1
896 1 48 GLU QB 1 95 ASN HA . . 4.020 2.126 1.938 2.750 . 0 0 "[ . 1 . 2]" 1
897 1 48 GLU QB 1 95 ASN QB . . 4.180 3.188 2.320 4.206 0.026 17 0 "[ . 1 . 2]" 1
898 1 48 GLU QB 1 96 SER H . . 4.680 3.064 1.879 3.542 . 0 0 "[ . 1 . 2]" 1
899 1 48 GLU HB2 1 49 SER H . . 4.430 2.888 2.349 3.942 . 0 0 "[ . 1 . 2]" 1
900 1 48 GLU HB3 1 49 SER H . . 4.430 3.211 2.288 3.990 . 0 0 "[ . 1 . 2]" 1
901 1 48 GLU QG 1 49 SER H . . 4.610 3.849 1.812 4.504 . 0 0 "[ . 1 . 2]" 1
902 1 48 GLU QG 1 95 ASN HA . . 4.050 2.568 1.936 3.931 . 0 0 "[ . 1 . 2]" 1
903 1 48 GLU QG 1 95 ASN HB2 . . 4.530 2.863 1.965 4.395 . 0 0 "[ . 1 . 2]" 1
904 1 48 GLU QG 1 95 ASN QB . . 3.980 2.668 1.893 3.944 . 0 0 "[ . 1 . 2]" 1
905 1 48 GLU QG 1 95 ASN HB3 . . 4.530 3.285 2.251 4.623 0.093 17 0 "[ . 1 . 2]" 1
906 1 49 SER H 1 94 CYS H . . 4.350 3.412 3.088 3.882 . 0 0 "[ . 1 . 2]" 1
907 1 49 SER H 1 94 CYS QB . . 5.500 5.390 4.465 5.502 0.002 6 0 "[ . 1 . 2]" 1
908 1 49 SER H 1 95 ASN HA . . 4.630 3.775 3.391 4.064 . 0 0 "[ . 1 . 2]" 1
909 1 49 SER QB 1 50 TYR H . . 3.380 2.347 1.985 3.382 0.002 15 0 "[ . 1 . 2]" 1
910 1 49 SER QB 1 68 GLN QB . . 4.530 3.753 2.350 4.413 . 0 0 "[ . 1 . 2]" 1
911 1 49 SER QB 1 68 GLN QG . . 3.620 2.281 1.872 3.613 . 0 0 "[ . 1 . 2]" 1
912 1 49 SER QB 1 69 VAL H . . 4.070 3.186 2.561 4.025 . 0 0 "[ . 1 . 2]" 1
913 1 50 TYR H 1 50 TYR QB . . 3.670 2.465 2.351 2.547 . 0 0 "[ . 1 . 2]" 1
914 1 50 TYR H 1 50 TYR QD . . 4.530 2.544 1.985 2.983 . 0 0 "[ . 1 . 2]" 1
915 1 50 TYR H 1 69 VAL H . . 3.920 3.301 2.753 3.825 . 0 0 "[ . 1 . 2]" 1
916 1 50 TYR H 1 69 VAL MG2 . . 4.090 3.169 2.879 3.636 . 0 0 "[ . 1 . 2]" 1
917 1 50 TYR H 1 70 THR HA . . 5.500 5.030 4.587 5.356 . 0 0 "[ . 1 . 2]" 1
918 1 50 TYR H 1 93 ALA HA . . 5.500 4.958 4.580 5.384 . 0 0 "[ . 1 . 2]" 1
919 1 50 TYR HA 1 50 TYR QD . . 4.580 2.976 2.681 3.199 . 0 0 "[ . 1 . 2]" 1
920 1 50 TYR HA 1 51 GLN H . . 3.280 2.156 2.139 2.201 . 0 0 "[ . 1 . 2]" 1
921 1 50 TYR HA 1 93 ALA HA . . 4.510 2.456 2.028 2.996 . 0 0 "[ . 1 . 2]" 1
922 1 50 TYR HA 1 93 ALA MB . . 4.600 3.581 3.147 4.359 . 0 0 "[ . 1 . 2]" 1
923 1 50 TYR HA 1 94 CYS H . . 4.130 3.747 3.293 4.093 . 0 0 "[ . 1 . 2]" 1
924 1 50 TYR QB 1 52 ILE MD . . 3.520 2.692 2.343 3.055 . 0 0 "[ . 1 . 2]" 1
925 1 50 TYR QB 1 69 VAL MG2 . . 3.650 2.808 2.365 2.981 . 0 0 "[ . 1 . 2]" 1
926 1 50 TYR QB 1 91 VAL MG1 . . 4.000 2.294 1.847 2.708 . 0 0 "[ . 1 . 2]" 1
927 1 50 TYR QB 1 93 ALA MB . . 5.340 4.167 3.677 4.821 . 0 0 "[ . 1 . 2]" 1
928 1 50 TYR HB2 1 51 GLN H . . 4.620 4.339 4.016 4.523 . 0 0 "[ . 1 . 2]" 1
929 1 50 TYR HB2 1 52 ILE MD . . 4.050 3.003 2.473 3.461 . 0 0 "[ . 1 . 2]" 1
930 1 50 TYR HB2 1 69 VAL MG2 . . 4.300 2.857 2.413 3.040 . 0 0 "[ . 1 . 2]" 1
931 1 50 TYR HB2 1 91 VAL MG1 . . 4.700 3.552 2.981 3.908 . 0 0 "[ . 1 . 2]" 1
932 1 50 TYR HB3 1 51 GLN H . . 4.620 3.556 3.017 3.834 . 0 0 "[ . 1 . 2]" 1
933 1 50 TYR HB3 1 52 ILE MD . . 4.050 3.068 2.594 3.535 . 0 0 "[ . 1 . 2]" 1
934 1 50 TYR HB3 1 69 VAL MG2 . . 4.300 4.139 3.398 4.301 0.001 8 0 "[ . 1 . 2]" 1
935 1 50 TYR HB3 1 91 VAL MG1 . . 4.700 2.325 1.865 2.762 . 0 0 "[ . 1 . 2]" 1
936 1 50 TYR QD 1 51 GLN H . . 4.620 4.411 3.898 4.605 . 0 0 "[ . 1 . 2]" 1
937 1 50 TYR QD 1 52 ILE MD . . 5.490 4.510 4.227 4.866 . 0 0 "[ . 1 . 2]" 1
938 1 50 TYR QD 1 69 VAL MG2 . . 3.780 3.488 3.178 3.759 . 0 0 "[ . 1 . 2]" 1
939 1 50 TYR QD 1 71 SER HA . . 3.560 2.245 2.002 2.771 . 0 0 "[ . 1 . 2]" 1
940 1 50 TYR QD 1 71 SER HB2 . . 4.860 4.288 3.290 4.857 . 0 0 "[ . 1 . 2]" 1
941 1 50 TYR QD 1 71 SER HB3 . . 4.860 4.512 4.014 4.859 . 0 0 "[ . 1 . 2]" 1
942 1 50 TYR QD 1 73 GLU H . . 5.160 4.926 4.682 5.141 . 0 0 "[ . 1 . 2]" 1
943 1 50 TYR QD 1 91 VAL MG1 . . 4.510 2.592 2.139 3.069 . 0 0 "[ . 1 . 2]" 1
944 1 50 TYR QD 1 93 ALA MB . . 4.070 2.649 2.132 3.328 . 0 0 "[ . 1 . 2]" 1
945 1 50 TYR QE 1 71 SER HA . . 3.400 2.385 2.006 3.021 . 0 0 "[ . 1 . 2]" 1
946 1 50 TYR QE 1 71 SER HB2 . . 4.600 3.314 2.266 4.487 . 0 0 "[ . 1 . 2]" 1
947 1 50 TYR QE 1 71 SER QB . . 3.970 2.956 2.244 3.881 . 0 0 "[ . 1 . 2]" 1
948 1 50 TYR QE 1 71 SER HB3 . . 4.600 3.748 2.408 4.288 . 0 0 "[ . 1 . 2]" 1
949 1 50 TYR QE 1 73 GLU H . . 5.500 5.237 4.984 5.485 . 0 0 "[ . 1 . 2]" 1
950 1 50 TYR QE 1 91 VAL MG1 . . 4.780 4.123 3.580 4.615 . 0 0 "[ . 1 . 2]" 1
951 1 50 TYR QE 1 93 ALA HA . . 4.420 4.216 3.960 4.423 0.003 10 0 "[ . 1 . 2]" 1
952 1 50 TYR QE 1 93 ALA MB . . 3.550 2.238 1.946 2.614 . 0 0 "[ . 1 . 2]" 1
953 1 51 GLN H 1 51 GLN QB . . 3.650 2.374 2.195 2.931 . 0 0 "[ . 1 . 2]" 1
954 1 51 GLN H 1 52 ILE MD . . 4.780 4.173 3.967 4.342 . 0 0 "[ . 1 . 2]" 1
955 1 51 GLN H 1 52 ILE HG13 . . 5.450 5.228 5.053 5.450 0.000 6 0 "[ . 1 . 2]" 1
956 1 51 GLN H 1 92 GLY H . . 4.130 3.475 2.870 4.092 . 0 0 "[ . 1 . 2]" 1
957 1 51 GLN H 1 93 ALA HA . . 4.310 3.511 2.946 4.158 . 0 0 "[ . 1 . 2]" 1
958 1 51 GLN H 1 94 CYS H . . 4.830 4.405 4.059 4.706 . 0 0 "[ . 1 . 2]" 1
959 1 51 GLN HA 1 52 ILE H . . 2.970 2.155 2.139 2.235 . 0 0 "[ . 1 . 2]" 1
960 1 51 GLN HA 1 52 ILE HB . . 4.680 4.569 4.406 4.653 . 0 0 "[ . 1 . 2]" 1
961 1 51 GLN HA 1 52 ILE MD . . 3.790 3.051 2.720 3.297 . 0 0 "[ . 1 . 2]" 1
962 1 51 GLN HA 1 52 ILE HG13 . . 5.090 4.717 4.504 4.945 . 0 0 "[ . 1 . 2]" 1
963 1 51 GLN HA 1 67 VAL H . . 4.660 4.217 3.913 4.640 . 0 0 "[ . 1 . 2]" 1
964 1 51 GLN HA 1 67 VAL QG . . 5.440 4.878 4.462 5.186 . 0 0 "[ . 1 . 2]" 1
965 1 51 GLN HA 1 68 GLN H . . 5.220 4.592 4.062 5.003 . 0 0 "[ . 1 . 2]" 1
966 1 51 GLN HA 1 68 GLN HA . . 3.490 2.622 2.212 2.944 . 0 0 "[ . 1 . 2]" 1
967 1 51 GLN HA 1 68 GLN QB . . 4.810 3.459 2.581 3.863 . 0 0 "[ . 1 . 2]" 1
968 1 51 GLN HA 1 68 GLN QG . . 4.600 4.203 3.255 4.586 . 0 0 "[ . 1 . 2]" 1
969 1 51 GLN HA 1 69 VAL H . . 4.440 4.142 3.662 4.390 . 0 0 "[ . 1 . 2]" 1
970 1 51 GLN QB 1 51 GLN QE . . 4.050 2.924 2.259 3.612 . 0 0 "[ . 1 . 2]" 1
971 1 51 GLN QB 1 51 GLN HE22 . . 4.860 3.755 3.366 4.236 . 0 0 "[ . 1 . 2]" 1
972 1 51 GLN QB 1 52 ILE H . . 4.220 3.577 2.857 3.957 . 0 0 "[ . 1 . 2]" 1
973 1 51 GLN QB 1 68 GLN HA . . 4.670 4.243 3.452 4.638 . 0 0 "[ . 1 . 2]" 1
974 1 51 GLN QE 1 66 ARG QD . . 4.580 3.272 2.005 4.510 . 0 0 "[ . 1 . 2]" 1
975 1 51 GLN QG 1 52 ILE H . . 4.360 3.433 2.711 4.297 . 0 0 "[ . 1 . 2]" 1
976 1 51 GLN QG 1 66 ARG QB . . 4.490 3.047 1.833 4.272 . 0 0 "[ . 1 . 2]" 1
977 1 51 GLN QG 1 66 ARG QD . . 4.830 3.572 1.959 4.782 . 0 0 "[ . 1 . 2]" 1
978 1 52 ILE H 1 52 ILE HB . . 3.240 2.526 2.414 2.631 . 0 0 "[ . 1 . 2]" 1
979 1 52 ILE H 1 52 ILE MD . . 3.490 2.174 1.882 2.801 . 0 0 "[ . 1 . 2]" 1
980 1 52 ILE H 1 52 ILE HG13 . . 3.850 3.480 3.186 3.815 . 0 0 "[ . 1 . 2]" 1
981 1 52 ILE H 1 52 ILE MG . . 4.260 3.790 3.744 3.834 . 0 0 "[ . 1 . 2]" 1
982 1 52 ILE H 1 66 ARG HA . . 4.780 4.294 3.851 4.763 . 0 0 "[ . 1 . 2]" 1
983 1 52 ILE H 1 67 VAL H . . 3.800 2.721 2.391 3.085 . 0 0 "[ . 1 . 2]" 1
984 1 52 ILE H 1 67 VAL HB . . 4.630 3.602 3.024 4.118 . 0 0 "[ . 1 . 2]" 1
985 1 52 ILE H 1 67 VAL MG1 . . 5.500 4.382 3.949 4.892 . 0 0 "[ . 1 . 2]" 1
986 1 52 ILE H 1 67 VAL QG . . 4.830 3.978 3.684 4.308 . 0 0 "[ . 1 . 2]" 1
987 1 52 ILE H 1 67 VAL MG2 . . 5.500 4.611 4.079 5.083 . 0 0 "[ . 1 . 2]" 1
988 1 52 ILE H 1 68 GLN HA . . 4.140 3.595 2.990 3.841 . 0 0 "[ . 1 . 2]" 1
989 1 52 ILE H 1 68 GLN QB . . 4.930 4.713 4.020 4.932 0.002 9 0 "[ . 1 . 2]" 1
990 1 52 ILE HB 1 52 ILE MD . . 3.240 2.210 2.093 2.311 . 0 0 "[ . 1 . 2]" 1
991 1 52 ILE HB 1 67 VAL H . . 3.920 3.151 2.725 3.821 . 0 0 "[ . 1 . 2]" 1
992 1 52 ILE HB 1 67 VAL HB . . 3.780 2.546 2.018 3.222 . 0 0 "[ . 1 . 2]" 1
993 1 52 ILE HB 1 67 VAL MG1 . . 4.910 3.813 2.933 4.469 . 0 0 "[ . 1 . 2]" 1
994 1 52 ILE HB 1 67 VAL QG . . 4.230 3.302 2.827 3.743 . 0 0 "[ . 1 . 2]" 1
995 1 52 ILE HB 1 67 VAL MG2 . . 4.910 3.710 3.138 4.704 . 0 0 "[ . 1 . 2]" 1
996 1 52 ILE HB 1 78 LEU MD2 . . 3.930 3.318 2.780 3.518 . 0 0 "[ . 1 . 2]" 1
997 1 52 ILE MD 1 67 VAL H . . 4.370 4.001 3.497 4.366 . 0 0 "[ . 1 . 2]" 1
998 1 52 ILE MD 1 67 VAL HB . . 4.180 3.206 2.600 3.939 . 0 0 "[ . 1 . 2]" 1
999 1 52 ILE MD 1 67 VAL QG . . 3.550 3.181 2.844 3.551 0.001 7 0 "[ . 1 . 2]" 1
1000 1 52 ILE MD 1 68 GLN HA . . 4.040 3.406 2.632 3.760 . 0 0 "[ . 1 . 2]" 1
1001 1 52 ILE MD 1 69 VAL H . . 3.890 3.468 3.076 3.770 . 0 0 "[ . 1 . 2]" 1
1002 1 52 ILE MD 1 69 VAL MG2 . . 3.230 2.449 2.126 2.808 . 0 0 "[ . 1 . 2]" 1
1003 1 52 ILE MD 1 76 ALA H . . 4.870 4.452 4.113 4.668 . 0 0 "[ . 1 . 2]" 1
1004 1 52 ILE MD 1 76 ALA HA . . 4.510 4.341 3.955 4.490 . 0 0 "[ . 1 . 2]" 1
1005 1 52 ILE MD 1 76 ALA MB . . 2.860 2.042 1.884 2.194 . 0 0 "[ . 1 . 2]" 1
1006 1 52 ILE MD 1 77 ARG H . . 5.120 4.745 4.354 5.030 . 0 0 "[ . 1 . 2]" 1
1007 1 52 ILE MD 1 78 LEU MD2 . . 4.350 4.181 3.682 4.351 0.001 1 0 "[ . 1 . 2]" 1
1008 1 52 ILE MD 1 91 VAL MG1 . . 3.880 2.997 2.552 3.584 . 0 0 "[ . 1 . 2]" 1
1009 1 52 ILE HG12 1 76 ALA MB . . 3.740 2.636 2.370 2.810 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ILE HG12 1 91 VAL MG1 . . 4.270 3.645 3.158 4.019 . 0 0 "[ . 1 . 2]" 1
1011 1 52 ILE HG12 1 91 VAL MG2 . . 3.980 2.573 2.264 3.073 . 0 0 "[ . 1 . 2]" 1
1012 1 52 ILE HG13 1 53 ARG H . . 5.500 4.484 4.241 4.623 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ILE HG13 1 76 ALA MB . . 4.290 3.892 3.613 4.080 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ILE HG13 1 91 VAL HA . . 4.660 2.887 2.476 3.387 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ILE HG13 1 91 VAL MG1 . . 3.950 2.621 1.985 2.917 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ILE HG13 1 91 VAL MG2 . . 3.840 2.103 1.845 2.589 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ILE MG 1 53 ARG H . . 3.520 3.250 2.874 3.493 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ILE MG 1 54 TYR HB2 . . 4.780 4.526 4.290 4.790 0.010 7 0 "[ . 1 . 2]" 1
1019 1 52 ILE MG 1 54 TYR QB . . 4.020 3.005 2.795 3.261 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ILE MG 1 54 TYR HB3 . . 4.780 3.051 2.830 3.322 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ILE MG 1 54 TYR QD . . 3.740 3.046 2.466 3.432 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ILE MG 1 54 TYR QE . . 4.910 4.591 3.861 4.909 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ILE MG 1 67 VAL H . . 4.830 3.974 3.544 4.574 . 0 0 "[ . 1 . 2]" 1
1024 1 52 ILE MG 1 67 VAL HB . . 4.250 3.688 3.127 4.193 . 0 0 "[ . 1 . 2]" 1
1025 1 52 ILE MG 1 76 ALA MB . . 4.630 3.340 3.060 3.713 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ILE MG 1 78 LEU HB3 . . 5.500 5.204 4.838 5.498 . 0 0 "[ . 1 . 2]" 1
1027 1 52 ILE MG 1 78 LEU MD2 . . 3.200 2.332 2.015 2.755 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ILE MG 1 89 ILE HG12 . . 5.040 3.588 3.324 3.869 . 0 0 "[ . 1 . 2]" 1
1029 1 52 ILE MG 1 89 ILE MG . . 2.980 2.004 1.767 2.204 . 0 0 "[ . 1 . 2]" 1
1030 1 52 ILE MG 1 90 GLU H . . 4.160 3.093 2.812 3.580 . 0 0 "[ . 1 . 2]" 1
1031 1 52 ILE MG 1 91 VAL HA . . 4.160 3.904 3.608 4.132 . 0 0 "[ . 1 . 2]" 1
1032 1 52 ILE MG 1 91 VAL MG1 . . 4.520 4.271 3.866 4.517 . 0 0 "[ . 1 . 2]" 1
1033 1 53 ARG H 1 53 ARG HB2 . . 3.830 2.547 2.162 2.905 . 0 0 "[ . 1 . 2]" 1
1034 1 53 ARG H 1 53 ARG QB . . 3.330 2.266 2.142 2.400 . 0 0 "[ . 1 . 2]" 1
1035 1 53 ARG H 1 53 ARG HB3 . . 3.830 2.726 2.289 3.480 . 0 0 "[ . 1 . 2]" 1
1036 1 53 ARG H 1 53 ARG HG2 . . 4.690 4.443 4.229 4.613 . 0 0 "[ . 1 . 2]" 1
1037 1 53 ARG H 1 53 ARG HG3 . . 4.690 4.285 3.102 4.630 . 0 0 "[ . 1 . 2]" 1
1038 1 53 ARG H 1 89 ILE MG . . 4.500 4.157 3.729 4.500 . 17 0 "[ . 1 . 2]" 1
1039 1 53 ARG H 1 90 GLU QB . . 4.530 3.668 3.145 4.495 . 0 0 "[ . 1 . 2]" 1
1040 1 53 ARG H 1 91 VAL HA . . 4.440 3.892 3.505 4.309 . 0 0 "[ . 1 . 2]" 1
1041 1 53 ARG HA 1 53 ARG HG2 . . 3.950 2.988 2.590 3.383 . 0 0 "[ . 1 . 2]" 1
1042 1 53 ARG HA 1 53 ARG HG3 . . 3.950 2.523 2.245 2.732 . 0 0 "[ . 1 . 2]" 1
1043 1 53 ARG HA 1 54 TYR H . . 3.020 2.175 2.140 2.431 . 0 0 "[ . 1 . 2]" 1
1044 1 53 ARG HA 1 54 TYR QD . . 4.110 3.299 2.716 4.070 . 0 0 "[ . 1 . 2]" 1
1045 1 53 ARG HA 1 64 ALA MB . . 4.640 4.235 3.793 4.612 . 0 0 "[ . 1 . 2]" 1
1046 1 53 ARG HA 1 65 ASN H . . 5.280 5.089 4.789 5.287 0.007 7 0 "[ . 1 . 2]" 1
1047 1 53 ARG HA 1 66 ARG HA . . 3.570 2.415 2.008 2.984 . 0 0 "[ . 1 . 2]" 1
1048 1 53 ARG HA 1 66 ARG QB . . 4.980 3.487 1.952 4.908 . 0 0 "[ . 1 . 2]" 1
1049 1 53 ARG HA 1 66 ARG QG . . 5.050 3.834 2.305 4.955 . 0 0 "[ . 1 . 2]" 1
1050 1 53 ARG HA 1 67 VAL H . . 4.290 3.791 3.424 4.243 . 0 0 "[ . 1 . 2]" 1
1051 1 53 ARG QB 1 53 ARG QD . . 3.290 2.185 2.010 2.305 . 0 0 "[ . 1 . 2]" 1
1052 1 53 ARG QB 1 54 TYR H . . 3.910 3.620 2.428 3.912 0.002 19 0 "[ . 1 . 2]" 1
1053 1 53 ARG QB 1 55 TRP HZ3 . . 4.140 2.661 2.123 3.368 . 0 0 "[ . 1 . 2]" 1
1054 1 53 ARG QB 1 64 ALA MB . . 4.120 3.820 2.730 4.119 . 0 0 "[ . 1 . 2]" 1
1055 1 53 ARG QB 1 66 ARG QG . . 5.180 3.980 2.325 5.202 0.022 7 0 "[ . 1 . 2]" 1
1056 1 53 ARG QB 1 90 GLU QB . . 4.250 2.953 2.144 4.068 . 0 0 "[ . 1 . 2]" 1
1057 1 53 ARG HB2 1 53 ARG QD . . 3.840 2.548 2.069 3.068 . 0 0 "[ . 1 . 2]" 1
1058 1 53 ARG HB2 1 54 TYR H . . 4.500 4.294 3.857 4.494 . 0 0 "[ . 1 . 2]" 1
1059 1 53 ARG HB2 1 55 TRP HZ3 . . 4.730 4.148 3.109 4.732 0.002 12 0 "[ . 1 . 2]" 1
1060 1 53 ARG HB2 1 64 ALA MB . . 4.860 4.514 4.181 4.852 . 0 0 "[ . 1 . 2]" 1
1061 1 53 ARG HB3 1 53 ARG QD . . 3.840 2.538 2.148 2.914 . 0 0 "[ . 1 . 2]" 1
1062 1 53 ARG HB3 1 54 TYR H . . 4.500 3.963 2.455 4.410 . 0 0 "[ . 1 . 2]" 1
1063 1 53 ARG HB3 1 55 TRP HZ3 . . 4.730 2.700 2.134 3.450 . 0 0 "[ . 1 . 2]" 1
1064 1 53 ARG HB3 1 64 ALA MB . . 4.860 4.210 2.767 4.818 . 0 0 "[ . 1 . 2]" 1
1065 1 53 ARG QD 1 55 TRP HE3 . . 5.150 4.050 3.354 5.127 . 0 0 "[ . 1 . 2]" 1
1066 1 53 ARG QD 1 55 TRP HH2 . . 4.960 4.291 3.092 4.958 . 0 0 "[ . 1 . 2]" 1
1067 1 53 ARG QD 1 55 TRP HZ3 . . 4.240 3.384 2.285 4.134 . 0 0 "[ . 1 . 2]" 1
1068 1 53 ARG QD 1 64 ALA H . . 5.440 4.947 4.481 5.442 0.002 1 0 "[ . 1 . 2]" 1
1069 1 53 ARG QD 1 64 ALA MB . . 3.510 2.554 2.106 3.502 . 0 0 "[ . 1 . 2]" 1
1070 1 53 ARG QD 1 90 GLU QB . . 5.240 4.273 2.858 5.148 . 0 0 "[ . 1 . 2]" 1
1071 1 53 ARG QG 1 55 TRP HE3 . . 4.810 2.714 2.020 4.484 . 0 0 "[ . 1 . 2]" 1
1072 1 53 ARG QG 1 55 TRP HZ3 . . 5.330 2.836 2.009 4.483 . 0 0 "[ . 1 . 2]" 1
1073 1 53 ARG QG 1 64 ALA MB . . 3.460 2.282 1.885 2.840 . 0 0 "[ . 1 . 2]" 1
1074 1 53 ARG QG 1 66 ARG HA . . 4.480 3.733 2.653 4.347 . 0 0 "[ . 1 . 2]" 1
1075 1 53 ARG HG2 1 54 TYR H . . 4.200 3.282 2.627 3.751 . 0 0 "[ . 1 . 2]" 1
1076 1 53 ARG HG3 1 54 TYR H . . 4.200 3.546 2.926 4.247 0.047 7 0 "[ . 1 . 2]" 1
1077 1 54 TYR H 1 54 TYR QD . . 3.680 2.419 1.963 2.975 . 0 0 "[ . 1 . 2]" 1
1078 1 54 TYR H 1 54 TYR QE . . 4.480 4.102 3.794 4.464 . 0 0 "[ . 1 . 2]" 1
1079 1 54 TYR H 1 64 ALA MB . . 4.090 3.632 2.784 4.005 . 0 0 "[ . 1 . 2]" 1
1080 1 54 TYR H 1 65 ASN H . . 4.040 3.740 3.531 4.039 . 0 0 "[ . 1 . 2]" 1
1081 1 54 TYR H 1 66 ARG HA . . 4.210 3.562 2.942 4.207 . 0 0 "[ . 1 . 2]" 1
1082 1 54 TYR HA 1 54 TYR QD . . 4.220 3.720 3.639 3.742 . 0 0 "[ . 1 . 2]" 1
1083 1 54 TYR HA 1 55 TRP H . . 3.040 2.203 2.163 2.259 . 0 0 "[ . 1 . 2]" 1
1084 1 54 TYR HA 1 55 TRP HB3 . . 5.500 4.388 4.297 4.468 . 0 0 "[ . 1 . 2]" 1
1085 1 54 TYR HA 1 55 TRP HE3 . . 3.850 2.512 2.275 3.100 . 0 0 "[ . 1 . 2]" 1
1086 1 54 TYR HA 1 64 ALA MB . . 4.810 4.428 3.880 4.784 . 0 0 "[ . 1 . 2]" 1
1087 1 54 TYR HA 1 89 ILE HA . . 3.780 2.608 2.340 2.882 . 0 0 "[ . 1 . 2]" 1
1088 1 54 TYR HA 1 89 ILE HG12 . . 5.070 3.781 3.442 4.134 . 0 0 "[ . 1 . 2]" 1
1089 1 54 TYR HA 1 89 ILE HG13 . . 4.920 3.839 3.564 4.103 . 0 0 "[ . 1 . 2]" 1
1090 1 54 TYR HA 1 89 ILE MG . . 4.580 4.098 3.784 4.421 . 0 0 "[ . 1 . 2]" 1
1091 1 54 TYR HA 1 90 GLU H . . 4.510 4.061 3.635 4.425 . 0 0 "[ . 1 . 2]" 1
1092 1 54 TYR QB 1 55 TRP H . . 3.570 2.956 2.755 3.103 . 0 0 "[ . 1 . 2]" 1
1093 1 54 TYR QB 1 78 LEU MD1 . . 3.730 2.435 1.862 2.773 . 0 0 "[ . 1 . 2]" 1
1094 1 54 TYR QB 1 78 LEU MD2 . . 4.680 3.030 2.478 3.481 . 0 0 "[ . 1 . 2]" 1
1095 1 54 TYR QB 1 89 ILE HA . . 4.560 3.042 2.476 3.435 . 0 0 "[ . 1 . 2]" 1
1096 1 54 TYR QB 1 89 ILE MD . . 3.990 3.635 3.334 3.939 . 0 0 "[ . 1 . 2]" 1
1097 1 54 TYR QB 1 89 ILE HG12 . . 3.810 2.403 2.066 2.775 . 0 0 "[ . 1 . 2]" 1
1098 1 54 TYR QB 1 89 ILE MG . . 3.800 3.058 2.693 3.395 . 0 0 "[ . 1 . 2]" 1
1099 1 54 TYR HB2 1 55 TRP H . . 4.190 3.029 2.814 3.199 . 0 0 "[ . 1 . 2]" 1
1100 1 54 TYR HB2 1 78 LEU MD1 . . 4.300 2.946 2.225 3.381 . 0 0 "[ . 1 . 2]" 1
1101 1 54 TYR HB2 1 89 ILE MD . . 4.570 4.057 3.732 4.343 . 0 0 "[ . 1 . 2]" 1
1102 1 54 TYR HB2 1 89 ILE HG12 . . 4.330 2.923 2.489 3.262 . 0 0 "[ . 1 . 2]" 1
1103 1 54 TYR HB2 1 89 ILE HG13 . . 4.550 3.378 3.039 3.687 . 0 0 "[ . 1 . 2]" 1
1104 1 54 TYR HB2 1 89 ILE MG . . 4.480 4.201 3.788 4.387 . 0 0 "[ . 1 . 2]" 1
1105 1 54 TYR HB3 1 55 TRP H . . 4.190 4.125 3.924 4.191 0.001 1 0 "[ . 1 . 2]" 1
1106 1 54 TYR HB3 1 78 LEU MD1 . . 4.300 2.605 1.976 3.060 . 0 0 "[ . 1 . 2]" 1
1107 1 54 TYR HB3 1 89 ILE MD . . 4.570 4.109 3.752 4.529 . 0 0 "[ . 1 . 2]" 1
1108 1 54 TYR HB3 1 89 ILE HG12 . . 4.330 2.567 2.207 3.047 . 0 0 "[ . 1 . 2]" 1
1109 1 54 TYR HB3 1 89 ILE HG13 . . 4.550 3.700 3.239 4.106 . 0 0 "[ . 1 . 2]" 1
1110 1 54 TYR HB3 1 89 ILE MG . . 4.480 3.143 2.743 3.537 . 0 0 "[ . 1 . 2]" 1
1111 1 54 TYR QD 1 55 TRP H . . 4.360 4.000 3.453 4.243 . 0 0 "[ . 1 . 2]" 1
1112 1 54 TYR QD 1 65 ASN H . . 4.760 4.589 4.312 4.754 . 0 0 "[ . 1 . 2]" 1
1113 1 54 TYR QD 1 65 ASN QB . . 4.620 3.561 3.144 4.213 . 0 0 "[ . 1 . 2]" 1
1114 1 54 TYR QD 1 66 ARG HA . . 4.540 3.518 2.208 4.270 . 0 0 "[ . 1 . 2]" 1
1115 1 54 TYR QD 1 67 VAL H . . 4.620 3.876 3.335 4.377 . 0 0 "[ . 1 . 2]" 1
1116 1 54 TYR QD 1 67 VAL QG . . 4.080 3.145 2.345 3.875 . 0 0 "[ . 1 . 2]" 1
1117 1 54 TYR QD 1 78 LEU MD1 . . 3.980 3.172 2.801 3.476 . 0 0 "[ . 1 . 2]" 1
1118 1 54 TYR QD 1 78 LEU MD2 . . 3.960 2.717 2.257 3.077 . 0 0 "[ . 1 . 2]" 1
1119 1 54 TYR QD 1 81 LEU MD2 . . 3.680 2.454 2.108 3.123 . 0 0 "[ . 1 . 2]" 1
1120 1 54 TYR QD 1 87 TYR QE . . 3.460 3.176 2.699 3.463 0.003 13 0 "[ . 1 . 2]" 1
1121 1 54 TYR QE 1 65 ASN HB2 . . 4.250 2.928 2.315 3.643 . 0 0 "[ . 1 . 2]" 1
1122 1 54 TYR QE 1 65 ASN HB3 . . 4.250 3.228 2.223 4.069 . 0 0 "[ . 1 . 2]" 1
1123 1 54 TYR QE 1 66 ARG H . . 4.730 4.039 2.929 4.665 . 0 0 "[ . 1 . 2]" 1
1124 1 54 TYR QE 1 66 ARG HA . . 4.480 3.802 2.442 4.446 . 0 0 "[ . 1 . 2]" 1
1125 1 54 TYR QE 1 67 VAL H . . 4.530 3.903 2.754 4.480 . 0 0 "[ . 1 . 2]" 1
1126 1 54 TYR QE 1 67 VAL HB . . 4.890 4.110 3.588 4.555 . 0 0 "[ . 1 . 2]" 1
1127 1 54 TYR QE 1 67 VAL QG . . 3.280 2.009 1.833 2.669 . 0 0 "[ . 1 . 2]" 1
1128 1 54 TYR QE 1 78 LEU MD1 . . 4.470 4.173 3.912 4.463 . 0 0 "[ . 1 . 2]" 1
1129 1 54 TYR QE 1 78 LEU MD2 . . 3.770 3.034 2.529 3.461 . 0 0 "[ . 1 . 2]" 1
1130 1 54 TYR QE 1 81 LEU MD1 . . 4.940 4.527 4.202 4.914 . 0 0 "[ . 1 . 2]" 1
1131 1 54 TYR QE 1 81 LEU MD2 . . 3.200 2.279 1.904 2.817 . 0 0 "[ . 1 . 2]" 1
1132 1 55 TRP H 1 55 TRP HE3 . . 3.610 2.711 2.451 2.956 . 0 0 "[ . 1 . 2]" 1
1133 1 55 TRP H 1 55 TRP HZ3 . . 4.660 4.432 4.181 4.665 0.005 12 0 "[ . 1 . 2]" 1
1134 1 55 TRP H 1 64 ALA MB . . 4.670 4.311 3.876 4.612 . 0 0 "[ . 1 . 2]" 1
1135 1 55 TRP H 1 88 PHE H . . 3.760 2.971 2.525 3.494 . 0 0 "[ . 1 . 2]" 1
1136 1 55 TRP H 1 88 PHE QB . . 4.580 3.559 3.005 3.811 . 0 0 "[ . 1 . 2]" 1
1137 1 55 TRP H 1 89 ILE HA . . 4.660 4.256 3.941 4.578 . 0 0 "[ . 1 . 2]" 1
1138 1 55 TRP H 1 89 ILE HG13 . . 5.070 4.494 4.300 4.862 . 0 0 "[ . 1 . 2]" 1
1139 1 55 TRP HA 1 55 TRP HD1 . . 4.830 4.493 4.321 4.571 . 0 0 "[ . 1 . 2]" 1
1140 1 55 TRP HA 1 56 ALA H . . 3.020 2.293 2.186 2.430 . 0 0 "[ . 1 . 2]" 1
1141 1 55 TRP HA 1 56 ALA HA . . 4.670 4.317 4.305 4.337 . 0 0 "[ . 1 . 2]" 1
1142 1 55 TRP HA 1 56 ALA MB . . 4.250 4.028 3.979 4.100 . 0 0 "[ . 1 . 2]" 1
1143 1 55 TRP HA 1 59 ASP HB2 . . 4.820 4.138 3.930 4.462 . 0 0 "[ . 1 . 2]" 1
1144 1 55 TRP HA 1 59 ASP HB3 . . 5.330 4.565 4.066 4.841 . 0 0 "[ . 1 . 2]" 1
1145 1 55 TRP HA 1 64 ALA HA . . 4.450 3.831 3.384 4.090 . 0 0 "[ . 1 . 2]" 1
1146 1 55 TRP HA 1 64 ALA MB . . 4.370 4.144 3.912 4.362 . 0 0 "[ . 1 . 2]" 1
1147 1 55 TRP HA 1 65 ASN H . . 4.350 4.025 3.701 4.276 . 0 0 "[ . 1 . 2]" 1
1148 1 55 TRP HA 1 87 TYR QD . . 5.230 2.838 2.566 3.183 . 0 0 "[ . 1 . 2]" 1
1149 1 55 TRP HB2 1 55 TRP HD1 . . 3.780 2.590 2.568 2.651 . 0 0 "[ . 1 . 2]" 1
1150 1 55 TRP HB2 1 56 ALA H . . 3.550 2.772 2.436 3.130 . 0 0 "[ . 1 . 2]" 1
1151 1 55 TRP HB2 1 56 ALA MB . . 4.830 4.272 4.079 4.581 . 0 0 "[ . 1 . 2]" 1
1152 1 55 TRP HB2 1 59 ASP HB2 . . 4.190 2.786 2.227 3.296 . 0 0 "[ . 1 . 2]" 1
1153 1 55 TRP HB2 1 59 ASP HB3 . . 4.330 2.617 2.074 2.905 . 0 0 "[ . 1 . 2]" 1
1154 1 55 TRP HB2 1 60 LYS H . . 5.210 4.654 4.343 5.022 . 0 0 "[ . 1 . 2]" 1
1155 1 55 TRP HB2 1 64 ALA H . . 5.500 4.849 4.461 5.162 . 0 0 "[ . 1 . 2]" 1
1156 1 55 TRP HB2 1 64 ALA HA . . 4.050 2.914 2.659 3.157 . 0 0 "[ . 1 . 2]" 1
1157 1 55 TRP HB2 1 64 ALA MB . . 4.110 3.122 2.873 3.351 . 0 0 "[ . 1 . 2]" 1
1158 1 55 TRP HB2 1 65 ASN H . . 4.690 4.358 3.979 4.663 . 0 0 "[ . 1 . 2]" 1
1159 1 55 TRP HB3 1 56 ALA H . . 4.230 4.015 3.810 4.231 0.001 5 0 "[ . 1 . 2]" 1
1160 1 55 TRP HB3 1 59 ASP HB2 . . 5.000 4.529 3.984 5.000 0.000 4 0 "[ . 1 . 2]" 1
1161 1 55 TRP HB3 1 59 ASP HB3 . . 4.550 4.190 3.609 4.552 0.002 13 0 "[ . 1 . 2]" 1
1162 1 55 TRP HB3 1 64 ALA H . . 4.780 4.392 4.138 4.650 . 0 0 "[ . 1 . 2]" 1
1163 1 55 TRP HB3 1 64 ALA HA . . 3.830 2.114 2.003 2.260 . 0 0 "[ . 1 . 2]" 1
1164 1 55 TRP HB3 1 64 ALA MB . . 3.520 2.025 1.892 2.196 . 0 0 "[ . 1 . 2]" 1
1165 1 55 TRP HB3 1 65 ASN H . . 4.130 3.211 2.844 3.644 . 0 0 "[ . 1 . 2]" 1
1166 1 55 TRP HD1 1 56 ALA H . . 4.600 3.928 3.448 4.412 . 0 0 "[ . 1 . 2]" 1
1167 1 55 TRP HD1 1 57 ALA HA . . 4.780 4.333 3.846 4.559 . 0 0 "[ . 1 . 2]" 1
1168 1 55 TRP HD1 1 59 ASP H . . 4.550 3.842 3.311 4.229 . 0 0 "[ . 1 . 2]" 1
1169 1 55 TRP HD1 1 59 ASP HB2 . . 4.000 2.708 2.140 3.858 . 0 0 "[ . 1 . 2]" 1
1170 1 55 TRP HD1 1 59 ASP HB3 . . 4.440 2.935 2.364 3.530 . 0 0 "[ . 1 . 2]" 1
1171 1 55 TRP HD1 1 60 LYS H . . 4.530 4.144 3.511 4.509 . 0 0 "[ . 1 . 2]" 1
1172 1 55 TRP HD1 1 60 LYS HA . . 4.310 3.922 3.617 4.246 . 0 0 "[ . 1 . 2]" 1
1173 1 55 TRP HD1 1 61 GLU H . . 5.280 5.011 4.191 5.282 0.002 20 0 "[ . 1 . 2]" 1
1174 1 55 TRP HD1 1 61 GLU HA . . 4.920 4.599 3.702 4.919 . 0 0 "[ . 1 . 2]" 1
1175 1 55 TRP HD1 1 64 ALA MB . . 4.590 4.041 3.739 4.314 . 0 0 "[ . 1 . 2]" 1
1176 1 55 TRP HE1 1 57 ALA HA . . 4.420 4.192 3.771 4.419 . 0 0 "[ . 1 . 2]" 1
1177 1 55 TRP HE1 1 60 LYS HA . . 4.720 4.137 3.213 4.709 . 0 0 "[ . 1 . 2]" 1
1178 1 55 TRP HE1 1 61 GLU H . . 5.330 4.529 3.499 5.031 . 0 0 "[ . 1 . 2]" 1
1179 1 55 TRP HE1 1 61 GLU HA . . 4.690 4.377 3.957 4.684 . 0 0 "[ . 1 . 2]" 1
1180 1 55 TRP HE1 1 61 GLU QB . . 5.340 4.700 4.017 5.275 . 0 0 "[ . 1 . 2]" 1
1181 1 55 TRP HE1 1 64 ALA MB . . 5.500 4.654 4.365 5.122 . 0 0 "[ . 1 . 2]" 1
1182 1 55 TRP HE1 1 88 PHE H . . 5.500 5.313 4.998 5.507 0.007 20 0 "[ . 1 . 2]" 1
1183 1 55 TRP HE1 1 88 PHE QB . . 4.570 3.737 3.362 4.048 . 0 0 "[ . 1 . 2]" 1
1184 1 55 TRP HE1 1 88 PHE QD . . 3.760 3.332 2.855 3.745 . 0 0 "[ . 1 . 2]" 1
1185 1 55 TRP HE3 1 64 ALA MB . . 3.570 2.476 1.982 2.831 . 0 0 "[ . 1 . 2]" 1
1186 1 55 TRP HH2 1 90 GLU QG . . 5.210 3.999 2.125 5.198 . 0 0 "[ . 1 . 2]" 1
1187 1 55 TRP HH2 1 105 MET QB . . 5.340 4.993 3.687 5.315 . 0 0 "[ . 1 . 2]" 1
1188 1 55 TRP HH2 1 105 MET ME . . 3.750 2.756 1.966 3.754 0.004 12 0 "[ . 1 . 2]" 1
1189 1 55 TRP HH2 1 105 MET QG . . 4.200 3.971 3.497 4.259 0.059 13 0 "[ . 1 . 2]" 1
1190 1 55 TRP HZ2 1 61 GLU QB . . 5.340 4.563 3.067 5.329 . 0 0 "[ . 1 . 2]" 1
1191 1 55 TRP HZ2 1 64 ALA MB . . 5.500 5.028 4.656 5.485 . 0 0 "[ . 1 . 2]" 1
1192 1 55 TRP HZ2 1 88 PHE HB2 . . 4.780 3.427 3.187 3.707 . 0 0 "[ . 1 . 2]" 1
1193 1 55 TRP HZ2 1 88 PHE QB . . 4.170 3.077 2.773 3.298 . 0 0 "[ . 1 . 2]" 1
1194 1 55 TRP HZ2 1 88 PHE HB3 . . 4.780 3.500 2.992 3.873 . 0 0 "[ . 1 . 2]" 1
1195 1 55 TRP HZ2 1 88 PHE QD . . 4.930 3.997 3.598 4.404 . 0 0 "[ . 1 . 2]" 1
1196 1 55 TRP HZ2 1 105 MET ME . . 3.490 2.676 2.098 3.503 0.013 13 0 "[ . 1 . 2]" 1
1197 1 55 TRP HZ2 1 105 MET QG . . 4.700 4.565 4.282 4.702 0.002 4 0 "[ . 1 . 2]" 1
1198 1 55 TRP HZ3 1 64 ALA MB . . 4.420 3.909 3.423 4.322 . 0 0 "[ . 1 . 2]" 1
1199 1 56 ALA H 1 56 ALA MB . . 3.030 2.146 2.041 2.255 . 0 0 "[ . 1 . 2]" 1
1200 1 56 ALA H 1 57 ALA H . . 4.720 4.625 4.599 4.646 . 0 0 "[ . 1 . 2]" 1
1201 1 56 ALA H 1 59 ASP HB2 . . 3.980 2.538 2.209 2.861 . 0 0 "[ . 1 . 2]" 1
1202 1 56 ALA H 1 59 ASP HB3 . . 4.490 3.678 3.066 4.039 . 0 0 "[ . 1 . 2]" 1
1203 1 56 ALA H 1 85 THR MG . . 5.500 4.718 4.378 5.192 . 0 0 "[ . 1 . 2]" 1
1204 1 56 ALA H 1 87 TYR QE . . 4.540 2.952 2.250 3.864 . 0 0 "[ . 1 . 2]" 1
1205 1 56 ALA HA 1 57 ALA H . . 3.000 2.272 2.211 2.414 . 0 0 "[ . 1 . 2]" 1
1206 1 56 ALA HA 1 57 ALA HA . . 4.510 4.307 4.297 4.317 . 0 0 "[ . 1 . 2]" 1
1207 1 56 ALA HA 1 57 ALA MB . . 4.310 4.048 4.001 4.123 . 0 0 "[ . 1 . 2]" 1
1208 1 56 ALA HA 1 85 THR MG . . 4.020 3.145 2.819 3.389 . 0 0 "[ . 1 . 2]" 1
1209 1 56 ALA HA 1 87 TYR HA . . 3.330 2.498 2.009 2.777 . 0 0 "[ . 1 . 2]" 1
1210 1 56 ALA HA 1 87 TYR QD . . 4.550 3.458 2.950 3.838 . 0 0 "[ . 1 . 2]" 1
1211 1 56 ALA HA 1 87 TYR QE . . 5.040 3.868 3.513 4.182 . 0 0 "[ . 1 . 2]" 1
1212 1 56 ALA HA 1 88 PHE H . . 4.110 3.815 3.411 4.109 . 0 0 "[ . 1 . 2]" 1
1213 1 56 ALA HA 1 88 PHE QD . . 5.200 4.852 4.193 5.076 . 0 0 "[ . 1 . 2]" 1
1214 1 56 ALA MB 1 57 ALA H . . 3.210 2.735 2.428 2.872 . 0 0 "[ . 1 . 2]" 1
1215 1 56 ALA MB 1 57 ALA HA . . 4.630 4.464 4.283 4.565 . 0 0 "[ . 1 . 2]" 1
1216 1 56 ALA MB 1 57 ALA MB . . 4.280 3.845 3.709 3.960 . 0 0 "[ . 1 . 2]" 1
1217 1 56 ALA MB 1 58 HIS H . . 4.230 2.722 2.405 3.021 . 0 0 "[ . 1 . 2]" 1
1218 1 56 ALA MB 1 58 HIS HD2 . . 4.510 3.452 2.178 4.425 . 0 0 "[ . 1 . 2]" 1
1219 1 56 ALA MB 1 58 HIS HE1 . . 3.500 2.547 2.144 3.332 . 0 0 "[ . 1 . 2]" 1
1220 1 56 ALA MB 1 59 ASP H . . 4.130 2.362 2.116 2.579 . 0 0 "[ . 1 . 2]" 1
1221 1 56 ALA MB 1 59 ASP HA . . 4.450 4.291 4.139 4.439 . 0 0 "[ . 1 . 2]" 1
1222 1 56 ALA MB 1 59 ASP HB2 . . 3.940 2.626 2.333 2.906 . 0 0 "[ . 1 . 2]" 1
1223 1 56 ALA MB 1 87 TYR QE . . 3.790 3.142 2.455 3.576 . 0 0 "[ . 1 . 2]" 1
1224 1 57 ALA H 1 57 ALA MB . . 3.000 2.081 2.024 2.233 . 0 0 "[ . 1 . 2]" 1
1225 1 57 ALA H 1 58 HIS H . . 4.130 2.852 2.719 3.005 . 0 0 "[ . 1 . 2]" 1
1226 1 57 ALA H 1 59 ASP H . . 4.790 4.227 3.978 4.414 . 0 0 "[ . 1 . 2]" 1
1227 1 57 ALA H 1 86 GLN HB2 . . 5.080 4.986 4.820 5.079 . 0 0 "[ . 1 . 2]" 1
1228 1 57 ALA H 1 87 TYR HA . . 3.780 3.578 2.969 3.775 . 0 0 "[ . 1 . 2]" 1
1229 1 57 ALA H 1 88 PHE H . . 4.620 4.419 3.758 4.616 . 0 0 "[ . 1 . 2]" 1
1230 1 57 ALA H 1 88 PHE QD . . 4.770 4.209 3.692 4.543 . 0 0 "[ . 1 . 2]" 1
1231 1 57 ALA H 1 88 PHE QE . . 4.730 4.417 3.775 4.714 . 0 0 "[ . 1 . 2]" 1
1232 1 57 ALA HA 1 59 ASP H . . 4.750 4.467 3.958 4.713 . 0 0 "[ . 1 . 2]" 1
1233 1 57 ALA HA 1 88 PHE QD . . 3.880 2.514 2.162 2.940 . 0 0 "[ . 1 . 2]" 1
1234 1 57 ALA HA 1 88 PHE QE . . 3.400 2.259 1.996 2.572 . 0 0 "[ . 1 . 2]" 1
1235 1 57 ALA HA 1 88 PHE HZ . . 5.200 4.628 4.321 4.965 . 0 0 "[ . 1 . 2]" 1
1236 1 57 ALA MB 1 58 HIS H . . 4.150 2.641 2.412 2.916 . 0 0 "[ . 1 . 2]" 1
1237 1 57 ALA MB 1 58 HIS HA . . 3.800 3.746 3.668 3.807 0.007 2 0 "[ . 1 . 2]" 1
1238 1 57 ALA MB 1 85 THR MG . . 4.660 4.051 3.793 4.216 . 0 0 "[ . 1 . 2]" 1
1239 1 57 ALA MB 1 86 GLN H . . 4.170 4.009 3.807 4.164 . 0 0 "[ . 1 . 2]" 1
1240 1 57 ALA MB 1 86 GLN HB2 . . 4.010 3.773 3.576 3.946 . 0 0 "[ . 1 . 2]" 1
1241 1 57 ALA MB 1 86 GLN HB3 . . 4.240 2.331 2.117 2.600 . 0 0 "[ . 1 . 2]" 1
1242 1 57 ALA MB 1 86 GLN QG . . 3.410 2.838 2.388 3.315 . 0 0 "[ . 1 . 2]" 1
1243 1 57 ALA MB 1 88 PHE QD . . 4.070 3.621 3.163 3.894 . 0 0 "[ . 1 . 2]" 1
1244 1 57 ALA MB 1 88 PHE QE . . 3.310 2.269 1.991 2.651 . 0 0 "[ . 1 . 2]" 1
1245 1 57 ALA MB 1 88 PHE HZ . . 4.200 3.607 3.274 3.989 . 0 0 "[ . 1 . 2]" 1
1246 1 58 HIS H 1 59 ASP H . . 3.700 2.573 2.405 2.718 . 0 0 "[ . 1 . 2]" 1
1247 1 58 HIS HA 1 58 HIS HD2 . . 4.840 4.376 4.126 4.730 . 0 0 "[ . 1 . 2]" 1
1248 1 58 HIS QB 1 59 ASP H . . 4.210 3.397 3.274 3.652 . 0 0 "[ . 1 . 2]" 1
1249 1 58 HIS HB2 1 59 ASP H . . 4.800 3.744 3.492 4.018 . 0 0 "[ . 1 . 2]" 1
1250 1 58 HIS HB3 1 59 ASP H . . 4.800 3.915 3.699 4.192 . 0 0 "[ . 1 . 2]" 1
1251 1 58 HIS HD2 1 59 ASP HB2 . . 4.880 4.121 3.240 4.883 0.003 13 0 "[ . 1 . 2]" 1
1252 1 58 HIS HE1 1 82 LEU MD1 . . 3.660 2.771 2.193 3.431 . 0 0 "[ . 1 . 2]" 1
1253 1 58 HIS HE1 1 85 THR MG . . 3.780 3.202 2.614 3.785 0.005 13 0 "[ . 1 . 2]" 1
1254 1 59 ASP H 1 59 ASP HB2 . . 3.410 2.251 2.185 2.470 . 0 0 "[ . 1 . 2]" 1
1255 1 59 ASP H 1 59 ASP HB3 . . 3.780 3.496 2.878 3.588 . 0 0 "[ . 1 . 2]" 1
1256 1 59 ASP H 1 60 LYS H . . 5.270 4.624 4.587 4.646 . 0 0 "[ . 1 . 2]" 1
1257 1 59 ASP HA 1 60 LYS HB2 . . 5.500 4.633 4.427 4.936 . 0 0 "[ . 1 . 2]" 1
1258 1 59 ASP HB2 1 60 LYS H . . 3.950 3.816 3.653 3.951 0.001 14 0 "[ . 1 . 2]" 1
1259 1 59 ASP HB3 1 60 LYS H . . 3.530 2.457 2.194 2.981 . 0 0 "[ . 1 . 2]" 1
1260 1 59 ASP HB3 1 60 LYS HA . . 5.180 4.386 4.225 4.640 . 0 0 "[ . 1 . 2]" 1
1261 1 59 ASP HB3 1 63 ALA MB . . 3.600 3.339 2.865 3.601 0.001 4 0 "[ . 1 . 2]" 1
1262 1 59 ASP HB3 1 64 ALA HA . . 5.500 4.355 3.990 4.752 . 0 0 "[ . 1 . 2]" 1
1263 1 60 LYS H 1 60 LYS HB2 . . 3.250 2.515 2.314 2.699 . 0 0 "[ . 1 . 2]" 1
1264 1 60 LYS H 1 60 LYS HB3 . . 3.900 3.689 3.575 3.738 . 0 0 "[ . 1 . 2]" 1
1265 1 60 LYS H 1 60 LYS QG . . 3.370 2.837 2.369 3.378 0.008 14 0 "[ . 1 . 2]" 1
1266 1 60 LYS H 1 61 GLU H . . 4.790 4.524 4.479 4.569 . 0 0 "[ . 1 . 2]" 1
1267 1 60 LYS H 1 63 ALA H . . 4.590 3.620 3.423 4.015 . 0 0 "[ . 1 . 2]" 1
1268 1 60 LYS H 1 63 ALA MB . . 4.040 2.770 2.252 3.331 . 0 0 "[ . 1 . 2]" 1
1269 1 60 LYS HA 1 60 LYS QD . . 5.050 3.219 2.123 4.201 . 0 0 "[ . 1 . 2]" 1
1270 1 60 LYS HA 1 60 LYS QE . . 4.770 4.019 2.121 4.793 0.023 14 0 "[ . 1 . 2]" 1
1271 1 60 LYS HA 1 60 LYS QG . . 3.460 2.550 2.226 2.964 . 0 0 "[ . 1 . 2]" 1
1272 1 60 LYS HA 1 61 GLU H . . 2.880 2.384 2.282 2.497 . 0 0 "[ . 1 . 2]" 1
1273 1 60 LYS HA 1 61 GLU QB . . 4.820 4.336 4.205 4.463 . 0 0 "[ . 1 . 2]" 1
1274 1 60 LYS HA 1 62 GLU H . . 4.550 4.123 3.930 4.327 . 0 0 "[ . 1 . 2]" 1
1275 1 60 LYS HA 1 62 GLU QG . . 4.960 4.414 4.132 4.716 . 0 0 "[ . 1 . 2]" 1
1276 1 60 LYS HB2 1 61 GLU H . . 3.920 3.682 3.385 3.894 . 0 0 "[ . 1 . 2]" 1
1277 1 60 LYS HB2 1 62 GLU H . . 3.980 3.128 2.584 3.494 . 0 0 "[ . 1 . 2]" 1
1278 1 60 LYS HB2 1 62 GLU QB . . 4.320 4.225 3.817 4.316 . 0 0 "[ . 1 . 2]" 1
1279 1 60 LYS HB2 1 62 GLU QG . . 3.880 2.154 2.006 2.294 . 0 0 "[ . 1 . 2]" 1
1280 1 60 LYS HB2 1 63 ALA H . . 4.400 2.911 2.685 3.174 . 0 0 "[ . 1 . 2]" 1
1281 1 60 LYS HB2 1 63 ALA MB . . 4.000 3.156 2.920 3.367 . 0 0 "[ . 1 . 2]" 1
1282 1 60 LYS HB3 1 60 LYS QE . . 4.070 3.078 2.001 4.079 0.009 14 0 "[ . 1 . 2]" 1
1283 1 60 LYS HB3 1 61 GLU H . . 3.580 2.494 2.228 2.747 . 0 0 "[ . 1 . 2]" 1
1284 1 60 LYS HB3 1 62 GLU H . . 3.360 2.654 2.317 2.948 . 0 0 "[ . 1 . 2]" 1
1285 1 60 LYS HB3 1 63 ALA MB . . 4.870 4.528 4.375 4.759 . 0 0 "[ . 1 . 2]" 1
1286 1 60 LYS QD 1 60 LYS QG . . 2.370 2.046 2.017 2.092 . 0 0 "[ . 1 . 2]" 1
1287 1 60 LYS QE 1 60 LYS QG . . 3.130 2.241 2.049 2.607 . 0 0 "[ . 1 . 2]" 1
1288 1 60 LYS QG 1 61 GLU H . . 4.700 4.024 3.537 4.445 . 0 0 "[ . 1 . 2]" 1
1289 1 61 GLU H 1 61 GLU HB2 . . 3.550 2.949 2.216 3.581 0.031 7 0 "[ . 1 . 2]" 1
1290 1 61 GLU H 1 61 GLU QB . . 2.990 2.272 2.177 2.380 . 0 0 "[ . 1 . 2]" 1
1291 1 61 GLU H 1 61 GLU HB3 . . 3.550 2.720 2.288 3.536 . 0 0 "[ . 1 . 2]" 1
1292 1 61 GLU H 1 61 GLU QG . . 4.390 3.165 2.364 3.966 . 0 0 "[ . 1 . 2]" 1
1293 1 61 GLU HA 1 64 ALA H . . 4.590 3.495 3.257 4.046 . 0 0 "[ . 1 . 2]" 1
1294 1 61 GLU HA 1 64 ALA MB . . 4.040 2.204 1.983 2.861 . 0 0 "[ . 1 . 2]" 1
1295 1 61 GLU QB 1 62 GLU H . . 3.610 3.255 2.583 3.603 . 0 0 "[ . 1 . 2]" 1
1296 1 61 GLU QB 1 62 GLU HA . . 4.950 4.289 3.863 4.570 . 0 0 "[ . 1 . 2]" 1
1297 1 61 GLU QB 1 62 GLU QB . . 4.950 4.600 4.162 4.950 . 0 0 "[ . 1 . 2]" 1
1298 1 61 GLU QG 1 62 GLU H . . 4.740 3.312 2.155 4.698 . 0 0 "[ . 1 . 2]" 1
1299 1 62 GLU H 1 62 GLU QB . . 3.340 2.560 2.357 2.914 . 0 0 "[ . 1 . 2]" 1
1300 1 62 GLU H 1 62 GLU QG . . 3.530 2.081 1.873 2.417 . 0 0 "[ . 1 . 2]" 1
1301 1 62 GLU H 1 63 ALA H . . 3.520 2.543 1.958 2.811 . 0 0 "[ . 1 . 2]" 1
1302 1 62 GLU H 1 63 ALA HA . . 5.500 5.196 4.714 5.393 . 0 0 "[ . 1 . 2]" 1
1303 1 62 GLU H 1 63 ALA MB . . 4.920 4.294 3.727 4.588 . 0 0 "[ . 1 . 2]" 1
1304 1 62 GLU HA 1 62 GLU QG . . 3.460 3.365 3.302 3.467 0.007 10 0 "[ . 1 . 2]" 1
1305 1 62 GLU HA 1 63 ALA HA . . 4.920 4.614 4.577 4.691 . 0 0 "[ . 1 . 2]" 1
1306 1 62 GLU HA 1 64 ALA H . . 4.370 3.732 3.604 3.869 . 0 0 "[ . 1 . 2]" 1
1307 1 62 GLU HA 1 64 ALA MB . . 5.410 4.552 4.382 4.721 . 0 0 "[ . 1 . 2]" 1
1308 1 62 GLU QB 1 63 ALA H . . 3.660 3.456 3.289 3.607 . 0 0 "[ . 1 . 2]" 1
1309 1 62 GLU QB 1 63 ALA HA . . 4.900 4.401 4.220 4.600 . 0 0 "[ . 1 . 2]" 1
1310 1 62 GLU QB 1 63 ALA MB . . 5.150 4.239 4.113 4.372 . 0 0 "[ . 1 . 2]" 1
1311 1 62 GLU QB 1 64 ALA H . . 4.810 4.711 4.542 4.807 . 0 0 "[ . 1 . 2]" 1
1312 1 62 GLU QG 1 63 ALA H . . 3.970 2.154 1.881 2.551 . 0 0 "[ . 1 . 2]" 1
1313 1 62 GLU QG 1 63 ALA HA . . 4.810 3.819 3.323 4.430 . 0 0 "[ . 1 . 2]" 1
1314 1 62 GLU QG 1 63 ALA MB . . 3.980 2.776 2.438 3.304 . 0 0 "[ . 1 . 2]" 1
1315 1 63 ALA H 1 63 ALA MB . . 2.910 2.265 2.110 2.376 . 0 0 "[ . 1 . 2]" 1
1316 1 63 ALA H 1 64 ALA H . . 3.170 2.520 2.335 2.728 . 0 0 "[ . 1 . 2]" 1
1317 1 63 ALA HA 1 64 ALA H . . 3.430 3.132 3.074 3.276 . 0 0 "[ . 1 . 2]" 1
1318 1 63 ALA MB 1 64 ALA H . . 3.860 3.467 3.313 3.527 . 0 0 "[ . 1 . 2]" 1
1319 1 63 ALA MB 1 64 ALA HA . . 4.520 4.063 3.948 4.126 . 0 0 "[ . 1 . 2]" 1
1320 1 64 ALA H 1 64 ALA MB . . 2.980 2.212 2.072 2.290 . 0 0 "[ . 1 . 2]" 1
1321 1 64 ALA H 1 65 ASN H . . 4.640 4.542 4.466 4.609 . 0 0 "[ . 1 . 2]" 1
1322 1 64 ALA HA 1 65 ASN H . . 3.020 2.167 2.142 2.209 . 0 0 "[ . 1 . 2]" 1
1323 1 64 ALA MB 1 65 ASN H . . 3.290 3.052 2.903 3.217 . 0 0 "[ . 1 . 2]" 1
1324 1 65 ASN H 1 65 ASN HB2 . . 3.810 2.506 2.239 2.758 . 0 0 "[ . 1 . 2]" 1
1325 1 65 ASN H 1 65 ASN QB . . 3.130 2.460 2.215 2.675 . 0 0 "[ . 1 . 2]" 1
1326 1 65 ASN H 1 65 ASN HB3 . . 3.810 3.611 3.529 3.689 . 0 0 "[ . 1 . 2]" 1
1327 1 65 ASN H 1 65 ASN HD21 . . 4.480 3.067 1.992 4.288 . 0 0 "[ . 1 . 2]" 1
1328 1 65 ASN H 1 65 ASN QD . . 3.920 2.896 1.983 3.893 . 0 0 "[ . 1 . 2]" 1
1329 1 65 ASN H 1 65 ASN HD22 . . 4.480 3.898 3.162 4.472 . 0 0 "[ . 1 . 2]" 1
1330 1 65 ASN H 1 66 ARG H . . 4.690 4.569 4.488 4.639 . 0 0 "[ . 1 . 2]" 1
1331 1 65 ASN QB 1 65 ASN QD . . 3.090 2.209 2.063 2.489 . 0 0 "[ . 1 . 2]" 1
1332 1 65 ASN QB 1 66 ARG H . . 3.050 2.456 2.014 3.002 . 0 0 "[ . 1 . 2]" 1
1333 1 65 ASN QB 1 66 ARG QB . . 5.050 4.616 4.336 4.935 . 0 0 "[ . 1 . 2]" 1
1334 1 65 ASN QB 1 67 VAL QG . . 4.450 3.625 3.010 4.240 . 0 0 "[ . 1 . 2]" 1
1335 1 66 ARG H 1 66 ARG QB . . 3.270 2.853 2.410 3.272 0.002 12 0 "[ . 1 . 2]" 1
1336 1 66 ARG H 1 66 ARG QD . . 4.870 4.080 1.956 4.872 0.002 9 0 "[ . 1 . 2]" 1
1337 1 66 ARG H 1 66 ARG HG2 . . 4.930 3.573 2.104 4.697 . 0 0 "[ . 1 . 2]" 1
1338 1 66 ARG H 1 66 ARG QG . . 4.160 2.909 1.997 3.885 . 0 0 "[ . 1 . 2]" 1
1339 1 66 ARG H 1 66 ARG HG3 . . 4.930 3.534 2.008 4.153 . 0 0 "[ . 1 . 2]" 1
1340 1 66 ARG H 1 67 VAL H . . 4.550 4.269 3.959 4.446 . 0 0 "[ . 1 . 2]" 1
1341 1 66 ARG H 1 67 VAL QG . . 4.560 3.880 3.325 4.229 . 0 0 "[ . 1 . 2]" 1
1342 1 66 ARG HA 1 66 ARG QD . . 4.530 4.065 3.074 4.385 . 0 0 "[ . 1 . 2]" 1
1343 1 66 ARG HA 1 66 ARG HG2 . . 4.200 3.214 2.431 4.200 0.000 8 0 "[ . 1 . 2]" 1
1344 1 66 ARG HA 1 66 ARG HG3 . . 4.200 3.294 2.181 4.208 0.008 2 0 "[ . 1 . 2]" 1
1345 1 66 ARG HA 1 67 VAL H . . 2.990 2.198 2.142 2.492 . 0 0 "[ . 1 . 2]" 1
1346 1 66 ARG HA 1 67 VAL HB . . 4.820 4.618 4.311 4.729 . 0 0 "[ . 1 . 2]" 1
1347 1 66 ARG HA 1 67 VAL QG . . 4.310 3.536 3.059 3.746 . 0 0 "[ . 1 . 2]" 1
1348 1 66 ARG QB 1 66 ARG QD . . 3.150 2.176 2.072 2.511 . 0 0 "[ . 1 . 2]" 1
1349 1 66 ARG QB 1 67 VAL H . . 3.680 3.052 2.219 3.472 . 0 0 "[ . 1 . 2]" 1
1350 1 66 ARG QD 1 67 VAL H . . 5.500 5.158 3.145 5.487 . 0 0 "[ . 1 . 2]" 1
1351 1 66 ARG QG 1 67 VAL H . . 4.260 3.911 3.593 4.184 . 0 0 "[ . 1 . 2]" 1
1352 1 66 ARG HG2 1 67 VAL H . . 4.900 4.411 3.828 4.895 . 0 0 "[ . 1 . 2]" 1
1353 1 66 ARG HG3 1 67 VAL H . . 4.900 4.511 3.799 4.906 0.006 19 0 "[ . 1 . 2]" 1
1354 1 67 VAL H 1 67 VAL HB . . 3.580 2.658 2.529 2.839 . 0 0 "[ . 1 . 2]" 1
1355 1 67 VAL H 1 67 VAL QG . . 3.470 2.681 2.424 3.064 . 0 0 "[ . 1 . 2]" 1
1356 1 67 VAL H 1 68 GLN H . . 4.700 4.199 3.934 4.451 . 0 0 "[ . 1 . 2]" 1
1357 1 67 VAL HA 1 67 VAL MG1 . . 3.640 2.332 2.213 2.550 . 0 0 "[ . 1 . 2]" 1
1358 1 67 VAL HA 1 67 VAL QG . . 3.110 2.089 2.036 2.173 . 0 0 "[ . 1 . 2]" 1
1359 1 67 VAL HA 1 67 VAL MG2 . . 3.640 2.377 2.183 2.521 . 0 0 "[ . 1 . 2]" 1
1360 1 67 VAL HA 1 68 GLN H . . 2.950 2.165 2.140 2.241 . 0 0 "[ . 1 . 2]" 1
1361 1 67 VAL HA 1 68 GLN HA . . 4.780 4.407 4.381 4.475 . 0 0 "[ . 1 . 2]" 1
1362 1 67 VAL HA 1 68 GLN QB . . 4.650 4.134 4.034 4.420 . 0 0 "[ . 1 . 2]" 1
1363 1 67 VAL HB 1 68 GLN H . . 4.380 4.301 4.082 4.411 0.031 9 0 "[ . 1 . 2]" 1
1364 1 67 VAL HB 1 78 LEU MD2 . . 3.950 3.179 2.837 3.559 . 0 0 "[ . 1 . 2]" 1
1365 1 67 VAL QG 1 68 GLN H . . 3.410 2.766 2.239 3.195 . 0 0 "[ . 1 . 2]" 1
1366 1 67 VAL QG 1 68 GLN HA . . 4.310 3.871 3.545 4.248 . 0 0 "[ . 1 . 2]" 1
1367 1 67 VAL QG 1 68 GLN QB . . 5.130 4.211 3.928 4.647 . 0 0 "[ . 1 . 2]" 1
1368 1 67 VAL QG 1 69 VAL H . . 4.640 4.220 3.382 4.640 0.000 10 0 "[ . 1 . 2]" 1
1369 1 67 VAL QG 1 78 LEU HA . . 4.110 3.547 3.209 3.964 . 0 0 "[ . 1 . 2]" 1
1370 1 67 VAL QG 1 78 LEU MD1 . . 4.960 4.233 3.819 4.865 . 0 0 "[ . 1 . 2]" 1
1371 1 67 VAL QG 1 78 LEU MD2 . . 3.000 2.301 1.953 2.981 . 0 0 "[ . 1 . 2]" 1
1372 1 67 VAL QG 1 79 GLU H . . 5.060 4.324 3.813 4.664 . 0 0 "[ . 1 . 2]" 1
1373 1 68 GLN H 1 68 GLN QB . . 3.420 2.355 2.200 2.605 . 0 0 "[ . 1 . 2]" 1
1374 1 68 GLN H 1 68 GLN QG . . 4.310 3.779 2.250 4.119 . 0 0 "[ . 1 . 2]" 1
1375 1 68 GLN HA 1 68 GLN QG . . 3.580 2.696 2.396 3.506 . 0 0 "[ . 1 . 2]" 1
1376 1 68 GLN HA 1 69 VAL H . . 2.940 2.184 2.139 2.450 . 0 0 "[ . 1 . 2]" 1
1377 1 68 GLN HA 1 69 VAL HA . . 4.640 4.414 4.394 4.520 . 0 0 "[ . 1 . 2]" 1
1378 1 68 GLN HA 1 69 VAL MG1 . . 4.630 3.833 3.505 4.047 . 0 0 "[ . 1 . 2]" 1
1379 1 68 GLN HA 1 69 VAL MG2 . . 4.350 3.759 3.535 4.049 . 0 0 "[ . 1 . 2]" 1
1380 1 68 GLN QB 1 69 VAL H . . 4.040 3.638 2.464 3.959 . 0 0 "[ . 1 . 2]" 1
1381 1 68 GLN HB2 1 69 VAL H . . 4.920 4.005 2.492 4.464 . 0 0 "[ . 1 . 2]" 1
1382 1 68 GLN HB3 1 69 VAL H . . 4.920 4.273 3.886 4.529 . 0 0 "[ . 1 . 2]" 1
1383 1 68 GLN QG 1 69 VAL H . . 3.780 3.002 2.234 3.764 . 0 0 "[ . 1 . 2]" 1
1384 1 68 GLN QG 1 69 VAL HA . . 4.810 3.757 3.286 4.281 . 0 0 "[ . 1 . 2]" 1
1385 1 69 VAL H 1 69 VAL MG1 . . 3.800 2.956 2.573 3.197 . 0 0 "[ . 1 . 2]" 1
1386 1 69 VAL H 1 69 VAL MG2 . . 3.380 2.171 1.926 2.309 . 0 0 "[ . 1 . 2]" 1
1387 1 69 VAL HA 1 69 VAL MG1 . . 3.090 2.278 2.196 2.358 . 0 0 "[ . 1 . 2]" 1
1388 1 69 VAL HA 1 70 THR H . . 3.060 2.396 2.207 2.589 . 0 0 "[ . 1 . 2]" 1
1389 1 69 VAL HA 1 70 THR HA . . 4.730 4.303 4.295 4.321 . 0 0 "[ . 1 . 2]" 1
1390 1 69 VAL HA 1 70 THR MG . . 4.170 3.910 3.520 4.169 . 0 0 "[ . 1 . 2]" 1
1391 1 69 VAL HA 1 73 GLU QG . . 5.050 4.723 4.383 4.992 . 0 0 "[ . 1 . 2]" 1
1392 1 69 VAL HB 1 70 THR H . . 3.040 2.437 2.008 2.947 . 0 0 "[ . 1 . 2]" 1
1393 1 69 VAL HB 1 70 THR MG . . 4.450 3.923 2.893 4.443 . 0 0 "[ . 1 . 2]" 1
1394 1 69 VAL HB 1 73 GLU QB . . 3.760 2.830 2.541 3.137 . 0 0 "[ . 1 . 2]" 1
1395 1 69 VAL HB 1 73 GLU QG . . 3.570 2.767 2.463 3.113 . 0 0 "[ . 1 . 2]" 1
1396 1 69 VAL MG1 1 70 THR H . . 3.890 3.697 3.504 3.887 . 0 0 "[ . 1 . 2]" 1
1397 1 69 VAL MG1 1 73 GLU QB . . 3.940 3.769 3.530 3.928 . 0 0 "[ . 1 . 2]" 1
1398 1 69 VAL MG1 1 73 GLU QG . . 3.970 3.740 3.377 3.959 . 0 0 "[ . 1 . 2]" 1
1399 1 69 VAL MG1 1 76 ALA HA . . 3.910 3.304 2.811 3.776 . 0 0 "[ . 1 . 2]" 1
1400 1 69 VAL MG1 1 76 ALA MB . . 3.010 2.340 2.076 2.828 . 0 0 "[ . 1 . 2]" 1
1401 1 69 VAL MG1 1 77 ARG H . . 4.340 3.659 3.254 4.090 . 0 0 "[ . 1 . 2]" 1
1402 1 69 VAL MG2 1 70 THR H . . 4.110 3.436 3.046 3.883 . 0 0 "[ . 1 . 2]" 1
1403 1 69 VAL MG2 1 73 GLU H . . 4.340 4.012 3.548 4.239 . 0 0 "[ . 1 . 2]" 1
1404 1 69 VAL MG2 1 73 GLU QB . . 3.150 2.283 1.954 2.831 . 0 0 "[ . 1 . 2]" 1
1405 1 69 VAL MG2 1 73 GLU QG . . 4.190 3.417 2.986 3.909 . 0 0 "[ . 1 . 2]" 1
1406 1 69 VAL MG2 1 75 SER H . . 4.830 4.535 3.559 4.820 . 0 0 "[ . 1 . 2]" 1
1407 1 69 VAL MG2 1 76 ALA HA . . 4.580 3.584 3.012 3.874 . 0 0 "[ . 1 . 2]" 1
1408 1 69 VAL MG2 1 76 ALA MB . . 3.270 2.393 1.959 2.843 . 0 0 "[ . 1 . 2]" 1
1409 1 70 THR H 1 70 THR MG . . 3.020 2.254 1.919 2.527 . 0 0 "[ . 1 . 2]" 1
1410 1 70 THR H 1 71 SER H . . 4.600 4.605 4.565 4.640 0.040 14 0 "[ . 1 . 2]" 1
1411 1 70 THR H 1 73 GLU H . . 4.870 4.506 4.103 4.852 . 0 0 "[ . 1 . 2]" 1
1412 1 70 THR H 1 73 GLU QG . . 3.860 3.410 3.034 3.787 . 0 0 "[ . 1 . 2]" 1
1413 1 70 THR HA 1 70 THR MG . . 3.240 2.582 2.164 3.204 . 0 0 "[ . 1 . 2]" 1
1414 1 70 THR HA 1 71 SER H . . 3.210 2.224 2.162 2.411 . 0 0 "[ . 1 . 2]" 1
1415 1 70 THR HA 1 71 SER HA . . 4.380 4.324 4.302 4.341 . 0 0 "[ . 1 . 2]" 1
1416 1 70 THR HA 1 71 SER QB . . 4.540 4.281 4.097 4.474 . 0 0 "[ . 1 . 2]" 1
1417 1 70 THR HA 1 72 GLN H . . 4.180 3.809 3.648 4.016 . 0 0 "[ . 1 . 2]" 1
1418 1 70 THR HA 1 73 GLU H . . 5.500 4.645 4.504 4.931 . 0 0 "[ . 1 . 2]" 1
1419 1 70 THR MG 1 71 SER H . . 4.140 3.806 3.584 4.100 . 0 0 "[ . 1 . 2]" 1
1420 1 70 THR MG 1 72 GLN H . . 4.340 3.688 2.399 4.221 . 0 0 "[ . 1 . 2]" 1
1421 1 70 THR MG 1 72 GLN QB . . 4.620 3.606 2.053 4.547 . 0 0 "[ . 1 . 2]" 1
1422 1 70 THR MG 1 73 GLU H . . 4.740 3.883 2.001 4.694 . 0 0 "[ . 1 . 2]" 1
1423 1 70 THR MG 1 73 GLU QG . . 4.170 3.300 1.739 4.046 . 0 0 "[ . 1 . 2]" 1
1424 1 71 SER H 1 71 SER HB2 . . 4.060 3.049 2.244 3.618 . 0 0 "[ . 1 . 2]" 1
1425 1 71 SER H 1 71 SER QB . . 3.490 2.352 2.143 2.553 . 0 0 "[ . 1 . 2]" 1
1426 1 71 SER H 1 71 SER HB3 . . 4.060 2.675 2.199 3.591 . 0 0 "[ . 1 . 2]" 1
1427 1 71 SER HA 1 73 GLU H . . 4.280 3.892 3.488 4.265 . 0 0 "[ . 1 . 2]" 1
1428 1 71 SER QB 1 72 GLN H . . 4.460 3.342 2.695 3.801 . 0 0 "[ . 1 . 2]" 1
1429 1 72 GLN H 1 72 GLN HB2 . . 3.680 2.561 2.223 3.659 . 0 0 "[ . 1 . 2]" 1
1430 1 72 GLN H 1 72 GLN QB . . 3.030 2.356 2.200 2.595 . 0 0 "[ . 1 . 2]" 1
1431 1 72 GLN H 1 72 GLN HB3 . . 3.680 3.404 2.377 3.608 . 0 0 "[ . 1 . 2]" 1
1432 1 72 GLN H 1 72 GLN QG . . 3.310 2.480 1.966 2.969 . 0 0 "[ . 1 . 2]" 1
1433 1 72 GLN HA 1 72 GLN QG . . 3.360 2.641 2.214 3.332 . 0 0 "[ . 1 . 2]" 1
1434 1 72 GLN HA 1 74 TYR QE . . 5.500 4.723 3.758 5.325 . 0 0 "[ . 1 . 2]" 1
1435 1 72 GLN QB 1 73 GLU H . . 4.140 2.990 2.505 3.852 . 0 0 "[ . 1 . 2]" 1
1436 1 72 GLN QB 1 73 GLU QG . . 4.240 3.810 3.379 4.239 . 0 0 "[ . 1 . 2]" 1
1437 1 73 GLU H 1 73 GLU QB . . 3.000 2.233 2.167 2.394 . 0 0 "[ . 1 . 2]" 1
1438 1 73 GLU H 1 73 GLU QG . . 3.540 2.851 2.455 3.480 . 0 0 "[ . 1 . 2]" 1
1439 1 73 GLU H 1 74 TYR H . . 4.710 4.323 4.148 4.455 . 0 0 "[ . 1 . 2]" 1
1440 1 73 GLU H 1 75 SER H . . 5.500 5.262 4.975 5.480 . 0 0 "[ . 1 . 2]" 1
1441 1 73 GLU HA 1 73 GLU QG . . 3.580 2.488 2.364 2.720 . 0 0 "[ . 1 . 2]" 1
1442 1 73 GLU HA 1 74 TYR H . . 3.340 2.167 2.139 2.233 . 0 0 "[ . 1 . 2]" 1
1443 1 73 GLU HA 1 74 TYR HA . . 4.840 4.432 4.389 4.499 . 0 0 "[ . 1 . 2]" 1
1444 1 73 GLU HA 1 74 TYR QD . . 4.530 4.088 3.641 4.352 . 0 0 "[ . 1 . 2]" 1
1445 1 73 GLU HA 1 75 SER H . . 3.800 3.371 3.253 3.524 . 0 0 "[ . 1 . 2]" 1
1446 1 73 GLU QB 1 74 TYR H . . 3.950 3.582 3.352 3.773 . 0 0 "[ . 1 . 2]" 1
1447 1 73 GLU QB 1 75 SER H . . 3.140 2.791 2.481 3.122 . 0 0 "[ . 1 . 2]" 1
1448 1 73 GLU QG 1 74 TYR H . . 4.560 4.442 4.310 4.561 0.001 5 0 "[ . 1 . 2]" 1
1449 1 73 GLU QG 1 75 SER H . . 4.730 4.605 4.299 4.727 . 0 0 "[ . 1 . 2]" 1
1450 1 74 TYR H 1 74 TYR QD . . 3.810 2.566 2.334 2.731 . 0 0 "[ . 1 . 2]" 1
1451 1 74 TYR H 1 75 SER H . . 2.990 2.627 2.403 2.776 . 0 0 "[ . 1 . 2]" 1
1452 1 74 TYR HA 1 74 TYR QD . . 3.690 2.985 2.861 3.046 . 0 0 "[ . 1 . 2]" 1
1453 1 74 TYR HA 1 74 TYR QE . . 4.520 4.507 4.466 4.527 0.007 6 0 "[ . 1 . 2]" 1
1454 1 74 TYR QB 1 75 SER H . . 4.390 3.186 2.932 3.661 . 0 0 "[ . 1 . 2]" 1
1455 1 75 SER H 1 76 ALA H . . 4.590 4.395 4.363 4.423 . 0 0 "[ . 1 . 2]" 1
1456 1 75 SER HA 1 76 ALA H . . 3.150 2.455 2.336 2.581 . 0 0 "[ . 1 . 2]" 1
1457 1 75 SER HA 1 76 ALA MB . . 4.330 3.836 3.710 3.921 . 0 0 "[ . 1 . 2]" 1
1458 1 75 SER QB 1 76 ALA H . . 3.350 2.365 2.072 2.709 . 0 0 "[ . 1 . 2]" 1
1459 1 76 ALA H 1 76 ALA MB . . 3.570 2.536 2.381 2.655 . 0 0 "[ . 1 . 2]" 1
1460 1 76 ALA H 1 77 ARG H . . 4.460 4.424 4.367 4.459 . 0 0 "[ . 1 . 2]" 1
1461 1 76 ALA HA 1 77 ARG H . . 2.720 2.543 2.351 2.643 . 0 0 "[ . 1 . 2]" 1
1462 1 76 ALA MB 1 77 ARG H . . 3.150 2.201 1.950 2.486 . 0 0 "[ . 1 . 2]" 1
1463 1 76 ALA MB 1 78 LEU MD1 . . 4.940 4.759 4.531 4.941 0.001 12 0 "[ . 1 . 2]" 1
1464 1 76 ALA MB 1 78 LEU MD2 . . 3.740 3.483 3.225 3.722 . 0 0 "[ . 1 . 2]" 1
1465 1 77 ARG H 1 77 ARG HB2 . . 3.450 3.211 2.931 3.433 . 0 0 "[ . 1 . 2]" 1
1466 1 77 ARG H 1 77 ARG HB3 . . 3.220 2.728 2.573 2.927 . 0 0 "[ . 1 . 2]" 1
1467 1 77 ARG H 1 77 ARG QG . . 4.730 4.064 3.915 4.198 . 0 0 "[ . 1 . 2]" 1
1468 1 77 ARG H 1 78 LEU H . . 4.490 4.348 4.168 4.444 . 0 0 "[ . 1 . 2]" 1
1469 1 77 ARG HB2 1 77 ARG HD2 . . 4.110 3.263 2.256 3.695 . 0 0 "[ . 1 . 2]" 1
1470 1 77 ARG HB2 1 77 ARG QD . . 3.330 2.281 2.093 2.649 . 0 0 "[ . 1 . 2]" 1
1471 1 77 ARG HB2 1 77 ARG HD3 . . 4.110 2.511 2.111 3.573 . 0 0 "[ . 1 . 2]" 1
1472 1 77 ARG HB2 1 78 LEU H . . 4.300 4.085 3.774 4.297 . 0 0 "[ . 1 . 2]" 1
1473 1 77 ARG HB2 1 79 GLU QG . . 5.500 5.346 5.140 5.490 . 0 0 "[ . 1 . 2]" 1
1474 1 77 ARG HB3 1 77 ARG QD . . 3.510 2.912 2.510 3.439 . 0 0 "[ . 1 . 2]" 1
1475 1 77 ARG HB3 1 78 LEU H . . 4.170 4.059 3.852 4.167 . 0 0 "[ . 1 . 2]" 1
1476 1 77 ARG QD 1 78 LEU H . . 5.340 4.288 3.365 4.822 . 0 0 "[ . 1 . 2]" 1
1477 1 77 ARG QD 1 79 GLU QG . . 4.610 3.791 3.207 4.452 . 0 0 "[ . 1 . 2]" 1
1478 1 77 ARG QG 1 78 LEU H . . 4.170 2.424 2.029 2.741 . 0 0 "[ . 1 . 2]" 1
1479 1 77 ARG QG 1 78 LEU HB2 . . 5.070 4.540 4.269 4.804 . 0 0 "[ . 1 . 2]" 1
1480 1 77 ARG QG 1 79 GLU QG . . 3.670 2.670 2.411 3.006 . 0 0 "[ . 1 . 2]" 1
1481 1 77 ARG HG2 1 79 GLU QG . . 4.190 2.776 2.486 3.572 . 0 0 "[ . 1 . 2]" 1
1482 1 77 ARG HG3 1 79 GLU QG . . 4.190 3.715 3.212 4.152 . 0 0 "[ . 1 . 2]" 1
1483 1 78 LEU H 1 78 LEU HB2 . . 3.970 2.612 2.518 2.701 . 0 0 "[ . 1 . 2]" 1
1484 1 78 LEU H 1 78 LEU HB3 . . 3.890 3.733 3.677 3.810 . 0 0 "[ . 1 . 2]" 1
1485 1 78 LEU H 1 78 LEU MD1 . . 4.130 3.881 3.726 4.084 . 0 0 "[ . 1 . 2]" 1
1486 1 78 LEU H 1 78 LEU MD2 . . 3.940 3.691 3.478 3.903 . 0 0 "[ . 1 . 2]" 1
1487 1 78 LEU H 1 78 LEU HG . . 3.370 2.731 2.406 3.022 . 0 0 "[ . 1 . 2]" 1
1488 1 78 LEU H 1 79 GLU H . . 4.990 4.490 4.392 4.546 . 0 0 "[ . 1 . 2]" 1
1489 1 78 LEU H 1 81 LEU MD1 . . 4.940 4.263 4.032 4.565 . 0 0 "[ . 1 . 2]" 1
1490 1 78 LEU HA 1 78 LEU MD1 . . 4.330 3.907 3.868 3.945 . 0 0 "[ . 1 . 2]" 1
1491 1 78 LEU HA 1 78 LEU MD2 . . 3.120 2.158 1.987 2.345 . 0 0 "[ . 1 . 2]" 1
1492 1 78 LEU HA 1 79 GLU H . . 2.770 2.240 2.176 2.305 . 0 0 "[ . 1 . 2]" 1
1493 1 78 LEU HA 1 79 GLU HB2 . . 4.870 4.402 4.189 4.633 . 0 0 "[ . 1 . 2]" 1
1494 1 78 LEU HA 1 79 GLU QG . . 4.450 3.763 3.470 4.097 . 0 0 "[ . 1 . 2]" 1
1495 1 78 LEU HA 1 81 LEU MD1 . . 4.910 4.296 4.004 4.513 . 0 0 "[ . 1 . 2]" 1
1496 1 78 LEU HA 1 81 LEU MD2 . . 4.790 4.567 4.320 4.786 . 0 0 "[ . 1 . 2]" 1
1497 1 78 LEU HA 1 81 LEU HG . . 5.500 5.207 4.903 5.385 . 0 0 "[ . 1 . 2]" 1
1498 1 78 LEU HB2 1 78 LEU MD1 . . 3.340 2.250 2.122 2.391 . 0 0 "[ . 1 . 2]" 1
1499 1 78 LEU HB2 1 78 LEU MD2 . . 3.300 3.181 3.170 3.194 . 0 0 "[ . 1 . 2]" 1
1500 1 78 LEU HB2 1 79 GLU H . . 4.070 3.880 3.738 4.018 . 0 0 "[ . 1 . 2]" 1
1501 1 78 LEU HB2 1 81 LEU MD1 . . 3.670 2.332 1.981 2.704 . 0 0 "[ . 1 . 2]" 1
1502 1 78 LEU HB2 1 81 LEU MD2 . . 3.940 3.535 3.180 3.826 . 0 0 "[ . 1 . 2]" 1
1503 1 78 LEU HB2 1 81 LEU HG . . 4.480 4.201 3.739 4.451 . 0 0 "[ . 1 . 2]" 1
1504 1 78 LEU HB3 1 78 LEU MD1 . . 3.440 2.430 2.303 2.517 . 0 0 "[ . 1 . 2]" 1
1505 1 78 LEU HB3 1 78 LEU MD2 . . 3.670 2.285 2.178 2.427 . 0 0 "[ . 1 . 2]" 1
1506 1 78 LEU HB3 1 79 GLU H . . 3.430 2.875 2.663 3.128 . 0 0 "[ . 1 . 2]" 1
1507 1 78 LEU HB3 1 81 LEU MD1 . . 3.680 2.624 2.155 2.956 . 0 0 "[ . 1 . 2]" 1
1508 1 78 LEU HB3 1 81 LEU MD2 . . 3.970 2.610 2.321 2.931 . 0 0 "[ . 1 . 2]" 1
1509 1 78 LEU MD1 1 79 GLU H . . 5.500 4.826 4.654 5.010 . 0 0 "[ . 1 . 2]" 1
1510 1 78 LEU MD1 1 89 ILE MD . . 3.450 2.280 1.952 2.472 . 0 0 "[ . 1 . 2]" 1
1511 1 78 LEU MD1 1 89 ILE HG12 . . 4.310 2.321 2.078 2.546 . 0 0 "[ . 1 . 2]" 1
1512 1 78 LEU MD1 1 89 ILE HG13 . . 4.570 3.590 3.385 3.764 . 0 0 "[ . 1 . 2]" 1
1513 1 78 LEU MD1 1 89 ILE MG . . 3.510 2.624 2.246 3.084 . 0 0 "[ . 1 . 2]" 1
1514 1 78 LEU MD2 1 79 GLU H . . 3.810 3.511 3.293 3.710 . 0 0 "[ . 1 . 2]" 1
1515 1 78 LEU MD2 1 89 ILE MD . . 4.500 4.326 4.075 4.504 0.004 16 0 "[ . 1 . 2]" 1
1516 1 78 LEU MD2 1 89 ILE HG12 . . 4.940 4.045 3.721 4.435 . 0 0 "[ . 1 . 2]" 1
1517 1 78 LEU MD2 1 89 ILE MG . . 4.560 3.712 3.157 4.066 . 0 0 "[ . 1 . 2]" 1
1518 1 78 LEU HG 1 79 GLU H . . 5.500 5.059 4.973 5.178 . 0 0 "[ . 1 . 2]" 1
1519 1 79 GLU H 1 79 GLU HB2 . . 3.680 2.756 2.645 2.860 . 0 0 "[ . 1 . 2]" 1
1520 1 79 GLU H 1 79 GLU HB3 . . 4.130 3.832 3.766 3.902 . 0 0 "[ . 1 . 2]" 1
1521 1 79 GLU H 1 79 GLU QG . . 3.910 3.207 2.796 3.569 . 0 0 "[ . 1 . 2]" 1
1522 1 79 GLU H 1 80 ASN H . . 4.580 4.420 4.386 4.455 . 0 0 "[ . 1 . 2]" 1
1523 1 79 GLU H 1 81 LEU MD1 . . 4.590 3.943 3.724 4.246 . 0 0 "[ . 1 . 2]" 1
1524 1 79 GLU H 1 81 LEU MD2 . . 4.730 3.895 3.512 4.261 . 0 0 "[ . 1 . 2]" 1
1525 1 79 GLU H 1 81 LEU HG . . 4.160 3.826 3.487 4.137 . 0 0 "[ . 1 . 2]" 1
1526 1 79 GLU HA 1 79 GLU QG . . 3.650 2.402 2.177 2.769 . 0 0 "[ . 1 . 2]" 1
1527 1 79 GLU HA 1 80 ASN H . . 3.190 2.455 2.363 2.607 . 0 0 "[ . 1 . 2]" 1
1528 1 79 GLU HA 1 80 ASN HA . . 4.820 4.564 4.508 4.609 . 0 0 "[ . 1 . 2]" 1
1529 1 79 GLU HA 1 81 LEU H . . 4.150 3.720 3.350 3.917 . 0 0 "[ . 1 . 2]" 1
1530 1 79 GLU HA 1 81 LEU MD1 . . 4.730 3.323 2.940 3.971 . 0 0 "[ . 1 . 2]" 1
1531 1 79 GLU HB2 1 80 ASN H . . 3.800 3.579 3.321 3.750 . 0 0 "[ . 1 . 2]" 1
1532 1 79 GLU HB2 1 80 ASN HD21 . . 4.670 2.850 2.231 4.527 . 0 0 "[ . 1 . 2]" 1
1533 1 79 GLU HB2 1 80 ASN QD . . 4.100 2.523 2.164 3.516 . 0 0 "[ . 1 . 2]" 1
1534 1 79 GLU HB2 1 80 ASN HD22 . . 4.670 2.989 2.436 3.920 . 0 0 "[ . 1 . 2]" 1
1535 1 79 GLU HB3 1 80 ASN H . . 3.310 2.322 2.006 2.531 . 0 0 "[ . 1 . 2]" 1
1536 1 79 GLU HB3 1 80 ASN HA . . 4.430 4.230 4.085 4.387 . 0 0 "[ . 1 . 2]" 1
1537 1 79 GLU QG 1 80 ASN HD21 . . 5.050 4.508 4.121 5.035 . 0 0 "[ . 1 . 2]" 1
1538 1 79 GLU QG 1 80 ASN QD . . 4.330 4.062 3.866 4.309 . 0 0 "[ . 1 . 2]" 1
1539 1 79 GLU QG 1 80 ASN HD22 . . 5.050 4.655 4.438 4.904 . 0 0 "[ . 1 . 2]" 1
1540 1 80 ASN H 1 80 ASN HA . . 2.910 2.277 2.274 2.288 . 0 0 "[ . 1 . 2]" 1
1541 1 80 ASN H 1 80 ASN QB . . 3.690 3.397 3.093 3.483 . 0 0 "[ . 1 . 2]" 1
1542 1 80 ASN H 1 80 ASN QD . . 4.510 3.135 2.665 3.679 . 0 0 "[ . 1 . 2]" 1
1543 1 80 ASN H 1 81 LEU H . . 3.470 2.713 2.567 2.936 . 0 0 "[ . 1 . 2]" 1
1544 1 80 ASN H 1 81 LEU MD1 . . 5.500 4.635 4.269 5.279 . 0 0 "[ . 1 . 2]" 1
1545 1 80 ASN H 1 81 LEU HG . . 4.310 3.849 3.642 4.148 . 0 0 "[ . 1 . 2]" 1
1546 1 80 ASN HA 1 80 ASN QD . . 4.550 3.490 2.315 3.948 . 0 0 "[ . 1 . 2]" 1
1547 1 80 ASN HA 1 81 LEU H . . 3.550 2.704 2.621 2.880 . 0 0 "[ . 1 . 2]" 1
1548 1 80 ASN QB 1 80 ASN QD . . 2.870 2.245 2.109 2.524 . 0 0 "[ . 1 . 2]" 1
1549 1 81 LEU H 1 81 LEU HB2 . . 3.150 2.630 2.533 2.719 . 0 0 "[ . 1 . 2]" 1
1550 1 81 LEU H 1 81 LEU HB3 . . 3.870 3.722 3.679 3.774 . 0 0 "[ . 1 . 2]" 1
1551 1 81 LEU H 1 81 LEU MD1 . . 3.930 3.615 3.314 3.889 . 0 0 "[ . 1 . 2]" 1
1552 1 81 LEU H 1 81 LEU MD2 . . 3.910 3.779 3.487 3.910 . 7 0 "[ . 1 . 2]" 1
1553 1 81 LEU H 1 81 LEU HG . . 3.360 2.586 2.311 2.791 . 0 0 "[ . 1 . 2]" 1
1554 1 81 LEU HA 1 81 LEU MD1 . . 4.110 3.955 3.871 3.993 . 0 0 "[ . 1 . 2]" 1
1555 1 81 LEU HA 1 81 LEU MD2 . . 3.030 2.368 2.187 2.595 . 0 0 "[ . 1 . 2]" 1
1556 1 81 LEU HA 1 81 LEU HG . . 4.050 3.062 2.976 3.210 . 0 0 "[ . 1 . 2]" 1
1557 1 81 LEU HA 1 82 LEU H . . 3.200 2.362 2.231 2.562 . 0 0 "[ . 1 . 2]" 1
1558 1 81 LEU HA 1 82 LEU MD2 . . 4.810 4.668 4.483 4.810 . 16 0 "[ . 1 . 2]" 1
1559 1 81 LEU HA 1 82 LEU HG . . 4.330 3.786 3.676 3.920 . 0 0 "[ . 1 . 2]" 1
1560 1 81 LEU HA 1 87 TYR QE . . 4.620 3.828 3.436 4.095 . 0 0 "[ . 1 . 2]" 1
1561 1 81 LEU HA 1 110 THR MG . . 5.470 4.927 4.682 5.182 . 0 0 "[ . 1 . 2]" 1
1562 1 81 LEU HB2 1 81 LEU MD1 . . 3.010 2.135 1.994 2.290 . 0 0 "[ . 1 . 2]" 1
1563 1 81 LEU HB2 1 82 LEU H . . 4.250 3.570 3.092 3.909 . 0 0 "[ . 1 . 2]" 1
1564 1 81 LEU HB2 1 87 TYR QD . . 5.500 5.167 4.669 5.457 . 0 0 "[ . 1 . 2]" 1
1565 1 81 LEU HB2 1 87 TYR QE . . 5.500 4.564 4.061 5.006 . 0 0 "[ . 1 . 2]" 1
1566 1 81 LEU HB3 1 81 LEU MD1 . . 3.660 2.531 2.323 2.648 . 0 0 "[ . 1 . 2]" 1
1567 1 81 LEU HB3 1 81 LEU MD2 . . 3.370 2.209 2.068 2.323 . 0 0 "[ . 1 . 2]" 1
1568 1 81 LEU HB3 1 82 LEU H . . 3.520 2.571 2.154 2.903 . 0 0 "[ . 1 . 2]" 1
1569 1 81 LEU HB3 1 87 TYR QD . . 5.110 3.821 3.346 4.093 . 0 0 "[ . 1 . 2]" 1
1570 1 81 LEU HB3 1 87 TYR QE . . 4.250 3.158 2.716 3.587 . 0 0 "[ . 1 . 2]" 1
1571 1 81 LEU MD1 1 82 LEU H . . 4.950 4.672 4.330 4.939 . 0 0 "[ . 1 . 2]" 1
1572 1 81 LEU MD1 1 87 TYR HB2 . . 5.500 4.477 3.830 4.832 . 0 0 "[ . 1 . 2]" 1
1573 1 81 LEU MD1 1 87 TYR QD . . 4.840 4.252 3.772 4.560 . 0 0 "[ . 1 . 2]" 1
1574 1 81 LEU MD1 1 87 TYR QE . . 4.960 4.586 4.143 4.952 . 0 0 "[ . 1 . 2]" 1
1575 1 81 LEU MD1 1 110 THR HA . . 5.500 5.309 5.061 5.504 0.004 6 0 "[ . 1 . 2]" 1
1576 1 81 LEU MD1 1 110 THR HB . . 5.190 4.844 4.506 5.168 . 0 0 "[ . 1 . 2]" 1
1577 1 81 LEU MD1 1 110 THR MG . . 3.170 2.739 2.573 2.957 . 0 0 "[ . 1 . 2]" 1
1578 1 81 LEU MD2 1 82 LEU H . . 3.830 3.642 3.386 3.830 0.000 17 0 "[ . 1 . 2]" 1
1579 1 81 LEU MD2 1 85 THR MG . . 5.410 5.243 4.877 5.398 . 0 0 "[ . 1 . 2]" 1
1580 1 81 LEU MD2 1 87 TYR QD . . 4.220 3.314 2.823 3.707 . 0 0 "[ . 1 . 2]" 1
1581 1 81 LEU MD2 1 87 TYR QE . . 4.190 3.100 2.469 3.584 . 0 0 "[ . 1 . 2]" 1
1582 1 81 LEU MD2 1 110 THR MG . . 4.340 3.993 3.701 4.272 . 0 0 "[ . 1 . 2]" 1
1583 1 82 LEU H 1 82 LEU HB2 . . 3.370 2.428 2.379 2.464 . 0 0 "[ . 1 . 2]" 1
1584 1 82 LEU H 1 82 LEU HB3 . . 3.750 3.611 3.584 3.661 . 0 0 "[ . 1 . 2]" 1
1585 1 82 LEU H 1 82 LEU MD1 . . 4.100 3.592 3.374 3.867 . 0 0 "[ . 1 . 2]" 1
1586 1 82 LEU H 1 82 LEU MD2 . . 4.150 3.720 3.530 3.980 . 0 0 "[ . 1 . 2]" 1
1587 1 82 LEU H 1 82 LEU HG . . 3.690 2.553 2.316 2.864 . 0 0 "[ . 1 . 2]" 1
1588 1 82 LEU H 1 83 PRO HD2 . . 4.950 4.823 4.801 4.839 . 0 0 "[ . 1 . 2]" 1
1589 1 82 LEU H 1 83 PRO HD3 . . 5.220 4.967 4.940 5.014 . 0 0 "[ . 1 . 2]" 1
1590 1 82 LEU H 1 85 THR HB . . 4.580 3.795 3.455 4.048 . 0 0 "[ . 1 . 2]" 1
1591 1 82 LEU H 1 85 THR MG . . 4.480 4.096 3.852 4.341 . 0 0 "[ . 1 . 2]" 1
1592 1 82 LEU H 1 87 TYR QE . . 3.770 2.327 1.960 2.878 . 0 0 "[ . 1 . 2]" 1
1593 1 82 LEU H 1 110 THR MG . . 4.760 4.153 3.720 4.541 . 0 0 "[ . 1 . 2]" 1
1594 1 82 LEU HA 1 82 LEU MD2 . . 3.060 2.225 2.029 2.438 . 0 0 "[ . 1 . 2]" 1
1595 1 82 LEU HA 1 82 LEU HG . . 3.900 2.977 2.893 3.020 . 0 0 "[ . 1 . 2]" 1
1596 1 82 LEU HA 1 83 PRO HD2 . . 2.980 2.250 2.208 2.315 . 0 0 "[ . 1 . 2]" 1
1597 1 82 LEU HA 1 83 PRO HD3 . . 3.010 2.259 2.254 2.272 . 0 0 "[ . 1 . 2]" 1
1598 1 82 LEU HA 1 83 PRO HG3 . . 4.510 4.391 4.372 4.423 . 0 0 "[ . 1 . 2]" 1
1599 1 82 LEU HA 1 87 TYR QE . . 5.200 4.501 4.132 4.878 . 0 0 "[ . 1 . 2]" 1
1600 1 82 LEU HB2 1 82 LEU MD1 . . 3.250 2.196 2.098 2.343 . 0 0 "[ . 1 . 2]" 1
1601 1 82 LEU HB2 1 83 PRO HD2 . . 4.280 3.849 3.702 3.938 . 0 0 "[ . 1 . 2]" 1
1602 1 82 LEU HB2 1 83 PRO HD3 . . 5.080 4.826 4.737 4.878 . 0 0 "[ . 1 . 2]" 1
1603 1 82 LEU HB2 1 85 THR HA . . 5.120 5.022 4.863 5.106 . 0 0 "[ . 1 . 2]" 1
1604 1 82 LEU HB2 1 85 THR HB . . 4.130 2.467 2.240 2.933 . 0 0 "[ . 1 . 2]" 1
1605 1 82 LEU HB2 1 85 THR MG . . 3.860 2.724 2.555 2.889 . 0 0 "[ . 1 . 2]" 1
1606 1 82 LEU HB2 1 87 TYR QE . . 4.680 2.399 2.127 3.027 . 0 0 "[ . 1 . 2]" 1
1607 1 82 LEU HB3 1 82 LEU MD1 . . 3.350 2.474 2.327 2.570 . 0 0 "[ . 1 . 2]" 1
1608 1 82 LEU HB3 1 82 LEU MD2 . . 3.340 2.221 2.098 2.346 . 0 0 "[ . 1 . 2]" 1
1609 1 82 LEU HB3 1 83 PRO HD2 . . 3.670 2.339 2.162 2.454 . 0 0 "[ . 1 . 2]" 1
1610 1 82 LEU HB3 1 83 PRO HD3 . . 4.090 3.735 3.585 3.830 . 0 0 "[ . 1 . 2]" 1
1611 1 82 LEU HB3 1 85 THR HB . . 4.580 3.501 3.188 4.178 . 0 0 "[ . 1 . 2]" 1
1612 1 82 LEU HB3 1 85 THR MG . . 4.200 3.694 3.461 4.160 . 0 0 "[ . 1 . 2]" 1
1613 1 82 LEU MD1 1 83 PRO HD2 . . 4.520 4.225 4.067 4.290 . 0 0 "[ . 1 . 2]" 1
1614 1 82 LEU MD1 1 83 PRO HD3 . . 5.500 5.357 5.245 5.396 . 0 0 "[ . 1 . 2]" 1
1615 1 82 LEU MD1 1 85 THR HA . . 5.500 5.324 5.182 5.492 . 0 0 "[ . 1 . 2]" 1
1616 1 82 LEU MD1 1 85 THR HB . . 4.510 3.827 3.601 4.277 . 0 0 "[ . 1 . 2]" 1
1617 1 82 LEU MD1 1 85 THR MG . . 3.550 2.583 2.288 3.056 . 0 0 "[ . 1 . 2]" 1
1618 1 82 LEU MD1 1 87 TYR QE . . 3.960 3.501 3.096 3.864 . 0 0 "[ . 1 . 2]" 1
1619 1 82 LEU MD2 1 83 PRO HD2 . . 3.490 2.418 2.252 2.551 . 0 0 "[ . 1 . 2]" 1
1620 1 82 LEU MD2 1 83 PRO HD3 . . 3.580 3.303 3.198 3.422 . 0 0 "[ . 1 . 2]" 1
1621 1 82 LEU MD2 1 83 PRO HG2 . . 4.700 4.311 4.143 4.427 . 0 0 "[ . 1 . 2]" 1
1622 1 82 LEU MD2 1 83 PRO HG3 . . 4.690 4.568 4.452 4.628 . 0 0 "[ . 1 . 2]" 1
1623 1 82 LEU HG 1 83 PRO HD2 . . 4.540 4.471 4.381 4.523 . 0 0 "[ . 1 . 2]" 1
1624 1 82 LEU HG 1 83 PRO HD3 . . 5.380 5.144 5.045 5.197 . 0 0 "[ . 1 . 2]" 1
1625 1 82 LEU HG 1 85 THR MG . . 4.860 4.370 4.094 4.545 . 0 0 "[ . 1 . 2]" 1
1626 1 83 PRO HA 1 84 ASP H . . 3.250 2.221 2.163 2.274 . 0 0 "[ . 1 . 2]" 1
1627 1 83 PRO HA 1 84 ASP HA . . 4.460 4.386 4.375 4.400 . 0 0 "[ . 1 . 2]" 1
1628 1 83 PRO HA 1 85 THR H . . 4.120 3.901 3.720 4.072 . 0 0 "[ . 1 . 2]" 1
1629 1 83 PRO HA 1 110 THR HB . . 4.350 2.986 2.655 3.326 . 0 0 "[ . 1 . 2]" 1
1630 1 83 PRO HA 1 110 THR HG1 . . 3.460 2.163 2.000 2.358 . 0 0 "[ . 1 . 2]" 1
1631 1 83 PRO HA 1 110 THR MG . . 4.180 3.840 3.590 4.174 . 0 0 "[ . 1 . 2]" 1
1632 1 83 PRO HA 1 112 LYS HA . . 4.860 4.383 4.108 4.595 . 0 0 "[ . 1 . 2]" 1
1633 1 83 PRO HA 1 113 ALA HA . . 5.450 5.078 3.822 5.399 . 0 0 "[ . 1 . 2]" 1
1634 1 83 PRO HA 1 113 ALA MB . . 4.510 4.220 3.898 4.515 0.005 16 0 "[ . 1 . 2]" 1
1635 1 83 PRO HB2 1 84 ASP H . . 4.090 3.160 2.964 3.436 . 0 0 "[ . 1 . 2]" 1
1636 1 83 PRO HB2 1 112 LYS HA . . 3.740 2.833 2.383 3.319 . 0 0 "[ . 1 . 2]" 1
1637 1 83 PRO HB2 1 113 ALA H . . 3.170 2.025 1.903 2.419 . 0 0 "[ . 1 . 2]" 1
1638 1 83 PRO HB2 1 113 ALA HA . . 4.280 4.029 3.340 4.280 . 0 0 "[ . 1 . 2]" 1
1639 1 83 PRO HB2 1 113 ALA MB . . 3.250 2.696 2.035 3.014 . 0 0 "[ . 1 . 2]" 1
1640 1 83 PRO HB3 1 84 ASP H . . 4.040 3.762 3.644 3.935 . 0 0 "[ . 1 . 2]" 1
1641 1 83 PRO HB3 1 110 THR HG1 . . 4.640 4.445 4.282 4.639 . 0 0 "[ . 1 . 2]" 1
1642 1 83 PRO HB3 1 112 LYS HA . . 4.400 3.972 3.555 4.401 0.001 19 0 "[ . 1 . 2]" 1
1643 1 83 PRO HB3 1 113 ALA H . . 3.850 2.634 1.905 3.140 . 0 0 "[ . 1 . 2]" 1
1644 1 83 PRO HB3 1 113 ALA HA . . 4.490 3.240 2.115 3.615 . 0 0 "[ . 1 . 2]" 1
1645 1 83 PRO HB3 1 113 ALA MB . . 3.480 2.233 1.945 2.553 . 0 0 "[ . 1 . 2]" 1
1646 1 83 PRO HD3 1 113 ALA MB . . 4.410 3.711 3.354 4.328 . 0 0 "[ . 1 . 2]" 1
1647 1 83 PRO HG2 1 84 ASP H . . 4.920 4.780 4.667 4.920 0.000 10 0 "[ . 1 . 2]" 1
1648 1 83 PRO HG3 1 113 ALA MB . . 3.830 2.206 1.969 2.724 . 0 0 "[ . 1 . 2]" 1
1649 1 84 ASP H 1 84 ASP HB2 . . 4.090 3.027 2.783 3.826 . 0 0 "[ . 1 . 2]" 1
1650 1 84 ASP H 1 84 ASP QB . . 3.530 2.804 2.695 2.901 . 0 0 "[ . 1 . 2]" 1
1651 1 84 ASP H 1 84 ASP HB3 . . 4.090 3.402 2.822 3.604 . 0 0 "[ . 1 . 2]" 1
1652 1 84 ASP H 1 85 THR H . . 3.500 3.008 2.840 3.127 . 0 0 "[ . 1 . 2]" 1
1653 1 84 ASP H 1 110 THR HB . . 4.140 3.110 2.836 3.509 . 0 0 "[ . 1 . 2]" 1
1654 1 84 ASP H 1 110 THR HG1 . . 3.890 2.316 2.050 2.528 . 0 0 "[ . 1 . 2]" 1
1655 1 84 ASP H 1 110 THR MG . . 4.590 4.187 4.017 4.557 . 0 0 "[ . 1 . 2]" 1
1656 1 84 ASP HA 1 85 THR H . . 3.200 2.673 2.614 2.776 . 0 0 "[ . 1 . 2]" 1
1657 1 84 ASP HA 1 110 THR H . . 4.400 3.915 3.580 4.365 . 0 0 "[ . 1 . 2]" 1
1658 1 84 ASP HA 1 110 THR HG1 . . 4.390 3.574 3.312 3.851 . 0 0 "[ . 1 . 2]" 1
1659 1 84 ASP HA 1 110 THR MG . . 5.500 4.811 4.653 5.155 . 0 0 "[ . 1 . 2]" 1
1660 1 84 ASP HA 1 112 LYS QG . . 4.410 4.140 3.708 4.411 0.001 17 0 "[ . 1 . 2]" 1
1661 1 84 ASP QB 1 85 THR H . . 4.110 3.991 3.943 4.062 . 0 0 "[ . 1 . 2]" 1
1662 1 84 ASP QB 1 112 LYS H . . 5.310 4.016 3.329 4.497 . 0 0 "[ . 1 . 2]" 1
1663 1 84 ASP QB 1 112 LYS HA . . 3.130 2.527 2.030 2.864 . 0 0 "[ . 1 . 2]" 1
1664 1 84 ASP QB 1 112 LYS QB . . 4.090 3.786 3.481 4.078 . 0 0 "[ . 1 . 2]" 1
1665 1 84 ASP QB 1 112 LYS QD . . 5.030 3.797 1.915 4.529 . 0 0 "[ . 1 . 2]" 1
1666 1 84 ASP QB 1 112 LYS QE . . 4.580 3.857 2.080 4.535 . 0 0 "[ . 1 . 2]" 1
1667 1 84 ASP QB 1 112 LYS QG . . 3.190 2.259 2.024 2.552 . 0 0 "[ . 1 . 2]" 1
1668 1 84 ASP QB 1 113 ALA H . . 4.300 3.979 3.158 4.305 0.005 20 0 "[ . 1 . 2]" 1
1669 1 84 ASP HB2 1 85 THR H . . 4.680 4.643 4.514 4.656 . 0 0 "[ . 1 . 2]" 1
1670 1 84 ASP HB2 1 112 LYS HA . . 3.900 2.671 2.172 3.584 . 0 0 "[ . 1 . 2]" 1
1671 1 84 ASP HB2 1 112 LYS HG2 . . 4.830 2.890 2.124 3.812 . 0 0 "[ . 1 . 2]" 1
1672 1 84 ASP HB2 1 112 LYS HG3 . . 4.830 2.723 2.058 3.942 . 0 0 "[ . 1 . 2]" 1
1673 1 84 ASP HB2 1 113 ALA H . . 4.950 4.421 3.718 4.948 . 0 0 "[ . 1 . 2]" 1
1674 1 84 ASP HB3 1 85 THR H . . 4.680 4.353 4.262 4.609 . 0 0 "[ . 1 . 2]" 1
1675 1 84 ASP HB3 1 112 LYS HA . . 3.900 3.495 2.042 3.890 . 0 0 "[ . 1 . 2]" 1
1676 1 84 ASP HB3 1 112 LYS HG2 . . 4.830 3.827 2.345 4.831 0.001 16 0 "[ . 1 . 2]" 1
1677 1 84 ASP HB3 1 112 LYS HG3 . . 4.830 4.081 3.201 4.830 . 0 0 "[ . 1 . 2]" 1
1678 1 84 ASP HB3 1 113 ALA H . . 4.950 4.626 3.195 4.920 . 0 0 "[ . 1 . 2]" 1
1679 1 85 THR H 1 85 THR HB . . 3.290 2.704 2.620 2.789 . 0 0 "[ . 1 . 2]" 1
1680 1 85 THR H 1 85 THR MG . . 3.940 3.861 3.791 3.908 . 0 0 "[ . 1 . 2]" 1
1681 1 85 THR H 1 87 TYR QD . . 4.810 4.266 4.050 4.572 . 0 0 "[ . 1 . 2]" 1
1682 1 85 THR H 1 87 TYR QE . . 4.670 4.465 4.262 4.664 . 0 0 "[ . 1 . 2]" 1
1683 1 85 THR H 1 109 PHE HA . . 4.640 4.333 4.035 4.602 . 0 0 "[ . 1 . 2]" 1
1684 1 85 THR H 1 110 THR H . . 3.370 2.930 2.742 3.141 . 0 0 "[ . 1 . 2]" 1
1685 1 85 THR H 1 110 THR HB . . 4.140 3.911 3.824 4.124 . 0 0 "[ . 1 . 2]" 1
1686 1 85 THR H 1 110 THR HG1 . . 3.150 2.171 2.005 2.411 . 0 0 "[ . 1 . 2]" 1
1687 1 85 THR H 1 110 THR MG . . 3.920 3.331 3.064 3.531 . 0 0 "[ . 1 . 2]" 1
1688 1 85 THR HA 1 85 THR MG . . 3.060 2.386 2.287 2.482 . 0 0 "[ . 1 . 2]" 1
1689 1 85 THR HA 1 86 GLN H . . 2.810 2.169 2.142 2.210 . 0 0 "[ . 1 . 2]" 1
1690 1 85 THR HA 1 86 GLN HA . . 4.730 4.356 4.337 4.384 . 0 0 "[ . 1 . 2]" 1
1691 1 85 THR HA 1 86 GLN HB2 . . 4.770 4.581 4.473 4.703 . 0 0 "[ . 1 . 2]" 1
1692 1 85 THR HA 1 86 GLN HB3 . . 4.710 4.585 4.453 4.698 . 0 0 "[ . 1 . 2]" 1
1693 1 85 THR HA 1 87 TYR QE . . 5.190 4.985 4.653 5.186 . 0 0 "[ . 1 . 2]" 1
1694 1 85 THR HA 1 110 THR MG . . 5.500 5.370 5.082 5.504 0.004 16 0 "[ . 1 . 2]" 1
1695 1 85 THR HB 1 86 GLN H . . 4.620 4.168 3.984 4.304 . 0 0 "[ . 1 . 2]" 1
1696 1 85 THR HB 1 87 TYR QE . . 3.320 2.227 2.021 2.459 . 0 0 "[ . 1 . 2]" 1
1697 1 85 THR HB 1 110 THR H . . 5.020 4.752 4.484 4.943 . 0 0 "[ . 1 . 2]" 1
1698 1 85 THR HB 1 110 THR HG1 . . 3.880 3.468 3.270 3.658 . 0 0 "[ . 1 . 2]" 1
1699 1 85 THR HB 1 110 THR MG . . 4.620 3.755 3.130 4.124 . 0 0 "[ . 1 . 2]" 1
1700 1 85 THR MG 1 86 GLN H . . 3.260 2.366 2.071 2.686 . 0 0 "[ . 1 . 2]" 1
1701 1 85 THR MG 1 86 GLN HA . . 4.750 4.024 3.846 4.278 . 0 0 "[ . 1 . 2]" 1
1702 1 85 THR MG 1 86 GLN HB2 . . 4.720 4.542 4.347 4.723 0.003 12 0 "[ . 1 . 2]" 1
1703 1 85 THR MG 1 87 TYR HA . . 4.630 4.141 3.902 4.386 . 0 0 "[ . 1 . 2]" 1
1704 1 85 THR MG 1 87 TYR QE . . 3.590 2.378 2.053 2.938 . 0 0 "[ . 1 . 2]" 1
1705 1 85 THR MG 1 110 THR H . . 5.500 5.200 4.878 5.409 . 0 0 "[ . 1 . 2]" 1
1706 1 86 GLN H 1 86 GLN HB2 . . 3.300 2.646 2.450 2.835 . 0 0 "[ . 1 . 2]" 1
1707 1 86 GLN H 1 86 GLN HB3 . . 3.360 2.443 2.310 2.596 . 0 0 "[ . 1 . 2]" 1
1708 1 86 GLN H 1 86 GLN QG . . 4.470 3.957 3.914 3.977 . 0 0 "[ . 1 . 2]" 1
1709 1 86 GLN H 1 87 TYR H . . 4.680 4.517 4.347 4.620 . 0 0 "[ . 1 . 2]" 1
1710 1 86 GLN HA 1 86 GLN QG . . 3.410 2.499 2.346 2.816 . 0 0 "[ . 1 . 2]" 1
1711 1 86 GLN HA 1 87 TYR H . . 2.980 2.162 2.139 2.229 . 0 0 "[ . 1 . 2]" 1
1712 1 86 GLN HA 1 108 ALA H . . 4.470 4.280 4.062 4.449 . 0 0 "[ . 1 . 2]" 1
1713 1 86 GLN HA 1 109 PHE HA . . 3.330 2.813 2.540 3.004 . 0 0 "[ . 1 . 2]" 1
1714 1 86 GLN HA 1 109 PHE QD . . 4.340 3.761 3.289 4.008 . 0 0 "[ . 1 . 2]" 1
1715 1 86 GLN HA 1 110 THR H . . 4.210 4.012 3.616 4.212 0.002 6 0 "[ . 1 . 2]" 1
1716 1 86 GLN HB2 1 87 TYR H . . 4.490 4.197 3.939 4.411 . 0 0 "[ . 1 . 2]" 1
1717 1 86 GLN HB2 1 109 PHE HA . . 4.910 4.502 4.208 4.803 . 0 0 "[ . 1 . 2]" 1
1718 1 86 GLN HB2 1 109 PHE QD . . 4.970 4.033 3.696 4.265 . 0 0 "[ . 1 . 2]" 1
1719 1 86 GLN HB2 1 109 PHE QE . . 4.720 3.135 2.732 3.355 . 0 0 "[ . 1 . 2]" 1
1720 1 86 GLN HB3 1 87 TYR H . . 4.880 4.228 3.922 4.470 . 0 0 "[ . 1 . 2]" 1
1721 1 86 GLN HB3 1 109 PHE QE . . 4.650 4.441 4.020 4.652 0.002 9 0 "[ . 1 . 2]" 1
1722 1 86 GLN QE 1 107 GLU HB2 . . 3.850 2.308 1.908 3.849 . 0 0 "[ . 1 . 2]" 1
1723 1 86 GLN QE 1 107 GLU HB3 . . 4.390 3.027 2.445 4.286 . 0 0 "[ . 1 . 2]" 1
1724 1 86 GLN QE 1 107 GLU QG . . 4.220 3.133 2.378 4.170 . 0 0 "[ . 1 . 2]" 1
1725 1 86 GLN HE21 1 107 GLU HB2 . . 4.380 2.399 1.916 4.364 . 0 0 "[ . 1 . 2]" 1
1726 1 86 GLN HE21 1 109 PHE HZ . . 4.800 4.244 3.446 4.710 . 0 0 "[ . 1 . 2]" 1
1727 1 86 GLN HE22 1 86 GLN QG . . 3.640 3.238 3.217 3.421 . 0 0 "[ . 1 . 2]" 1
1728 1 86 GLN HE22 1 107 GLU HB2 . . 4.380 3.693 2.261 4.301 . 0 0 "[ . 1 . 2]" 1
1729 1 86 GLN HE22 1 109 PHE HZ . . 4.800 4.037 3.661 4.443 . 0 0 "[ . 1 . 2]" 1
1730 1 86 GLN QG 1 87 TYR H . . 3.740 2.783 2.389 3.280 . 0 0 "[ . 1 . 2]" 1
1731 1 86 GLN QG 1 88 PHE QD . . 4.680 3.932 3.574 4.148 . 0 0 "[ . 1 . 2]" 1
1732 1 86 GLN QG 1 88 PHE QE . . 4.470 3.659 3.262 4.140 . 0 0 "[ . 1 . 2]" 1
1733 1 86 GLN QG 1 107 GLU HA . . 4.700 3.989 3.444 4.222 . 0 0 "[ . 1 . 2]" 1
1734 1 86 GLN QG 1 107 GLU HB3 . . 4.430 3.946 3.199 4.427 . 0 0 "[ . 1 . 2]" 1
1735 1 86 GLN QG 1 108 ALA H . . 4.180 3.457 3.213 3.656 . 0 0 "[ . 1 . 2]" 1
1736 1 86 GLN QG 1 109 PHE HA . . 5.500 4.450 3.813 4.929 . 0 0 "[ . 1 . 2]" 1
1737 1 86 GLN QG 1 109 PHE QD . . 4.570 3.594 3.149 4.570 . 0 0 "[ . 1 . 2]" 1
1738 1 86 GLN QG 1 109 PHE QE . . 4.230 2.812 1.989 3.711 . 0 0 "[ . 1 . 2]" 1
1739 1 86 GLN QG 1 109 PHE HZ . . 4.380 3.879 3.561 4.140 . 0 0 "[ . 1 . 2]" 1
1740 1 87 TYR H 1 87 TYR HB2 . . 3.640 2.511 2.314 2.718 . 0 0 "[ . 1 . 2]" 1
1741 1 87 TYR H 1 87 TYR HB3 . . 4.020 3.626 3.529 3.723 . 0 0 "[ . 1 . 2]" 1
1742 1 87 TYR H 1 87 TYR QD . . 4.270 3.428 3.113 3.851 . 0 0 "[ . 1 . 2]" 1
1743 1 87 TYR H 1 108 ALA H . . 3.870 2.833 2.530 3.106 . 0 0 "[ . 1 . 2]" 1
1744 1 87 TYR H 1 108 ALA MB . . 4.850 3.418 3.236 3.658 . 0 0 "[ . 1 . 2]" 1
1745 1 87 TYR H 1 109 PHE HA . . 3.830 3.787 3.610 3.832 0.002 20 0 "[ . 1 . 2]" 1
1746 1 87 TYR H 1 110 THR H . . 4.830 4.652 4.355 4.831 0.001 7 0 "[ . 1 . 2]" 1
1747 1 87 TYR HA 1 87 TYR QE . . 5.500 4.481 4.408 4.527 . 0 0 "[ . 1 . 2]" 1
1748 1 87 TYR HA 1 88 PHE H . . 3.020 2.146 2.137 2.211 . 0 0 "[ . 1 . 2]" 1
1749 1 87 TYR HA 1 88 PHE QD . . 4.660 4.351 3.967 4.653 . 0 0 "[ . 1 . 2]" 1
1750 1 87 TYR HB2 1 88 PHE H . . 4.700 4.452 4.215 4.569 . 0 0 "[ . 1 . 2]" 1
1751 1 87 TYR HB2 1 89 ILE MD . . 3.960 3.745 3.553 3.948 . 0 0 "[ . 1 . 2]" 1
1752 1 87 TYR HB2 1 89 ILE HG13 . . 4.740 4.086 3.823 4.343 . 0 0 "[ . 1 . 2]" 1
1753 1 87 TYR HB2 1 108 ALA H . . 4.570 4.085 3.868 4.334 . 0 0 "[ . 1 . 2]" 1
1754 1 87 TYR HB2 1 108 ALA MB . . 4.270 3.133 2.828 3.361 . 0 0 "[ . 1 . 2]" 1
1755 1 87 TYR HB3 1 88 PHE H . . 3.920 3.521 3.047 3.828 . 0 0 "[ . 1 . 2]" 1
1756 1 87 TYR HB3 1 89 ILE MD . . 4.020 3.542 3.398 3.743 . 0 0 "[ . 1 . 2]" 1
1757 1 87 TYR HB3 1 89 ILE HG13 . . 4.590 3.051 2.866 3.267 . 0 0 "[ . 1 . 2]" 1
1758 1 87 TYR HB3 1 108 ALA H . . 4.990 4.621 4.379 4.867 . 0 0 "[ . 1 . 2]" 1
1759 1 87 TYR HB3 1 108 ALA MB . . 4.790 3.774 3.433 4.097 . 0 0 "[ . 1 . 2]" 1
1760 1 87 TYR QD 1 88 PHE H . . 4.360 3.856 3.216 4.327 . 0 0 "[ . 1 . 2]" 1
1761 1 87 TYR QD 1 110 THR H . . 4.480 4.127 3.708 4.456 . 0 0 "[ . 1 . 2]" 1
1762 1 87 TYR QD 1 110 THR MG . . 3.600 2.897 2.413 3.302 . 0 0 "[ . 1 . 2]" 1
1763 1 87 TYR QE 1 110 THR MG . . 4.290 3.599 3.026 3.988 . 0 0 "[ . 1 . 2]" 1
1764 1 88 PHE H 1 88 PHE HB2 . . 4.090 2.332 2.251 2.427 . 0 0 "[ . 1 . 2]" 1
1765 1 88 PHE H 1 88 PHE QB . . 3.500 2.303 2.227 2.393 . 0 0 "[ . 1 . 2]" 1
1766 1 88 PHE H 1 88 PHE HB3 . . 4.090 3.581 3.538 3.633 . 0 0 "[ . 1 . 2]" 1
1767 1 88 PHE H 1 88 PHE QD . . 4.040 2.955 2.626 3.294 . 0 0 "[ . 1 . 2]" 1
1768 1 88 PHE HA 1 88 PHE QD . . 3.670 2.505 2.192 2.751 . 0 0 "[ . 1 . 2]" 1
1769 1 88 PHE HA 1 88 PHE QE . . 4.930 4.410 4.301 4.562 . 0 0 "[ . 1 . 2]" 1
1770 1 88 PHE HA 1 89 ILE H . . 3.120 2.175 2.139 2.254 . 0 0 "[ . 1 . 2]" 1
1771 1 88 PHE HA 1 105 MET QG . . 4.320 4.191 3.693 4.328 0.008 16 0 "[ . 1 . 2]" 1
1772 1 88 PHE HA 1 107 GLU HA . . 3.590 2.390 2.092 2.778 . 0 0 "[ . 1 . 2]" 1
1773 1 88 PHE HA 1 107 GLU HB2 . . 5.500 4.244 3.817 4.749 . 0 0 "[ . 1 . 2]" 1
1774 1 88 PHE HA 1 107 GLU HB3 . . 4.840 3.931 3.510 4.432 . 0 0 "[ . 1 . 2]" 1
1775 1 88 PHE HA 1 108 ALA H . . 4.110 3.547 3.226 3.882 . 0 0 "[ . 1 . 2]" 1
1776 1 88 PHE QB 1 89 ILE H . . 4.100 3.589 3.330 3.769 . 0 0 "[ . 1 . 2]" 1
1777 1 88 PHE QB 1 105 MET QG . . 4.470 3.005 2.610 3.480 . 0 0 "[ . 1 . 2]" 1
1778 1 88 PHE HB2 1 89 ILE H . . 4.970 4.489 4.357 4.564 . 0 0 "[ . 1 . 2]" 1
1779 1 88 PHE HB3 1 89 ILE H . . 4.970 3.777 3.456 4.025 . 0 0 "[ . 1 . 2]" 1
1780 1 88 PHE QD 1 89 ILE H . . 4.630 4.053 3.721 4.461 . 0 0 "[ . 1 . 2]" 1
1781 1 88 PHE QD 1 105 MET ME . . 4.140 3.887 2.165 4.133 . 0 0 "[ . 1 . 2]" 1
1782 1 88 PHE QD 1 105 MET QG . . 3.690 2.541 1.936 3.029 . 0 0 "[ . 1 . 2]" 1
1783 1 88 PHE QD 1 106 ILE HA . . 5.260 4.786 4.528 5.110 . 0 0 "[ . 1 . 2]" 1
1784 1 88 PHE QD 1 107 GLU HA . . 4.230 3.099 2.731 3.535 . 0 0 "[ . 1 . 2]" 1
1785 1 88 PHE QD 1 107 GLU HB2 . . 4.380 4.005 3.448 4.380 . 0 0 "[ . 1 . 2]" 1
1786 1 88 PHE QD 1 107 GLU HB3 . . 4.090 2.842 2.482 3.331 . 0 0 "[ . 1 . 2]" 1
1787 1 88 PHE QE 1 105 MET ME . . 5.460 4.692 4.133 5.042 . 0 0 "[ . 1 . 2]" 1
1788 1 88 PHE QE 1 105 MET QG . . 5.110 3.474 2.741 3.997 . 0 0 "[ . 1 . 2]" 1
1789 1 88 PHE QE 1 107 GLU HB2 . . 4.330 3.683 3.293 4.143 . 0 0 "[ . 1 . 2]" 1
1790 1 88 PHE QE 1 107 GLU HB3 . . 4.340 2.469 2.153 2.809 . 0 0 "[ . 1 . 2]" 1
1791 1 88 PHE QE 1 107 GLU HG2 . . 5.480 4.833 3.771 5.476 . 0 0 "[ . 1 . 2]" 1
1792 1 88 PHE QE 1 107 GLU QG . . 4.700 4.047 3.560 4.596 . 0 0 "[ . 1 . 2]" 1
1793 1 88 PHE QE 1 107 GLU HG3 . . 5.480 4.498 3.853 5.354 . 0 0 "[ . 1 . 2]" 1
1794 1 89 ILE H 1 89 ILE HB . . 3.610 2.542 2.450 2.624 . 0 0 "[ . 1 . 2]" 1
1795 1 89 ILE H 1 89 ILE MD . . 4.090 3.397 3.185 3.619 . 0 0 "[ . 1 . 2]" 1
1796 1 89 ILE H 1 89 ILE HG12 . . 4.920 3.950 3.707 4.133 . 0 0 "[ . 1 . 2]" 1
1797 1 89 ILE H 1 89 ILE HG13 . . 3.930 2.545 2.218 2.784 . 0 0 "[ . 1 . 2]" 1
1798 1 89 ILE H 1 89 ILE MG . . 4.390 3.803 3.761 3.847 . 0 0 "[ . 1 . 2]" 1
1799 1 89 ILE H 1 106 ILE H . . 4.430 4.137 3.635 4.431 0.001 9 0 "[ . 1 . 2]" 1
1800 1 89 ILE H 1 106 ILE HB . . 4.680 4.018 3.703 4.347 . 0 0 "[ . 1 . 2]" 1
1801 1 89 ILE H 1 106 ILE MG . . 5.120 3.516 3.062 4.090 . 0 0 "[ . 1 . 2]" 1
1802 1 89 ILE H 1 107 GLU HA . . 4.240 3.104 2.809 3.492 . 0 0 "[ . 1 . 2]" 1
1803 1 89 ILE H 1 108 ALA H . . 4.800 3.924 3.606 4.212 . 0 0 "[ . 1 . 2]" 1
1804 1 89 ILE HA 1 89 ILE MD . . 4.110 3.888 3.851 3.921 . 0 0 "[ . 1 . 2]" 1
1805 1 89 ILE HA 1 89 ILE HG12 . . 4.010 2.794 2.703 2.859 . 0 0 "[ . 1 . 2]" 1
1806 1 89 ILE HA 1 89 ILE HG13 . . 3.820 2.741 2.624 2.816 . 0 0 "[ . 1 . 2]" 1
1807 1 89 ILE HA 1 89 ILE MG . . 3.380 2.375 2.278 2.463 . 0 0 "[ . 1 . 2]" 1
1808 1 89 ILE HA 1 90 GLU H . . 2.970 2.226 2.176 2.332 . 0 0 "[ . 1 . 2]" 1
1809 1 89 ILE HA 1 90 GLU QB . . 5.080 4.097 3.919 4.407 . 0 0 "[ . 1 . 2]" 1
1810 1 89 ILE HB 1 89 ILE MD . . 3.170 2.225 2.118 2.318 . 0 0 "[ . 1 . 2]" 1
1811 1 89 ILE HB 1 90 GLU H . . 4.140 3.947 3.766 4.099 . 0 0 "[ . 1 . 2]" 1
1812 1 89 ILE HB 1 90 GLU HA . . 4.910 4.609 4.501 4.726 . 0 0 "[ . 1 . 2]" 1
1813 1 89 ILE HB 1 106 ILE H . . 4.980 4.715 4.407 4.959 . 0 0 "[ . 1 . 2]" 1
1814 1 89 ILE HB 1 106 ILE HB . . 3.700 3.451 3.119 3.701 0.001 1 0 "[ . 1 . 2]" 1
1815 1 89 ILE HB 1 106 ILE MG . . 3.890 3.125 2.724 3.835 . 0 0 "[ . 1 . 2]" 1
1816 1 89 ILE HB 1 107 GLU HA . . 5.470 4.949 4.521 5.407 . 0 0 "[ . 1 . 2]" 1
1817 1 89 ILE HB 1 108 ALA MB . . 4.620 4.028 3.767 4.253 . 0 0 "[ . 1 . 2]" 1
1818 1 89 ILE MD 1 89 ILE MG . . 2.820 2.374 2.234 2.483 . 0 0 "[ . 1 . 2]" 1
1819 1 89 ILE MD 1 90 GLU H . . 5.170 5.027 4.793 5.149 . 0 0 "[ . 1 . 2]" 1
1820 1 89 ILE MD 1 106 ILE HB . . 4.800 4.719 4.562 4.802 0.002 6 0 "[ . 1 . 2]" 1
1821 1 89 ILE MD 1 107 GLU HA . . 4.820 4.656 4.453 4.822 0.002 4 0 "[ . 1 . 2]" 1
1822 1 89 ILE MD 1 108 ALA H . . 4.320 3.918 3.466 4.215 . 0 0 "[ . 1 . 2]" 1
1823 1 89 ILE MD 1 108 ALA HA . . 4.680 4.356 3.934 4.655 . 0 0 "[ . 1 . 2]" 1
1824 1 89 ILE MD 1 108 ALA MB . . 3.180 2.081 1.856 2.254 . 0 0 "[ . 1 . 2]" 1
1825 1 89 ILE HG13 1 90 GLU H . . 4.830 4.755 4.588 4.833 0.003 18 0 "[ . 1 . 2]" 1
1826 1 89 ILE HG13 1 107 GLU HA . . 5.500 4.827 4.432 5.165 . 0 0 "[ . 1 . 2]" 1
1827 1 89 ILE HG13 1 108 ALA MB . . 4.800 3.340 2.950 3.656 . 0 0 "[ . 1 . 2]" 1
1828 1 89 ILE MG 1 90 GLU H . . 3.420 2.048 1.885 2.293 . 0 0 "[ . 1 . 2]" 1
1829 1 89 ILE MG 1 90 GLU HA . . 4.150 3.362 3.035 3.619 . 0 0 "[ . 1 . 2]" 1
1830 1 89 ILE MG 1 90 GLU QB . . 4.810 4.124 3.910 4.346 . 0 0 "[ . 1 . 2]" 1
1831 1 89 ILE MG 1 91 VAL H . . 4.830 4.034 3.760 4.472 . 0 0 "[ . 1 . 2]" 1
1832 1 89 ILE MG 1 106 ILE H . . 5.240 5.000 4.590 5.233 . 0 0 "[ . 1 . 2]" 1
1833 1 89 ILE MG 1 106 ILE HB . . 4.290 4.099 3.745 4.295 0.005 12 0 "[ . 1 . 2]" 1
1834 1 90 GLU H 1 90 GLU QB . . 3.760 2.789 2.547 3.291 . 0 0 "[ . 1 . 2]" 1
1835 1 90 GLU H 1 90 GLU QG . . 4.550 3.656 2.303 4.337 . 0 0 "[ . 1 . 2]" 1
1836 1 90 GLU H 1 91 VAL H . . 5.100 4.176 4.064 4.327 . 0 0 "[ . 1 . 2]" 1
1837 1 90 GLU HA 1 91 VAL H . . 3.550 2.158 2.138 2.253 . 0 0 "[ . 1 . 2]" 1
1838 1 90 GLU HA 1 91 VAL HB . . 4.970 4.615 4.518 4.685 . 0 0 "[ . 1 . 2]" 1
1839 1 90 GLU HA 1 91 VAL MG2 . . 4.410 3.686 3.408 3.848 . 0 0 "[ . 1 . 2]" 1
1840 1 90 GLU HA 1 103 SER HG . . 4.600 3.350 2.869 3.893 . 0 0 "[ . 1 . 2]" 1
1841 1 90 GLU QB 1 91 VAL H . . 3.770 3.442 2.779 3.783 0.013 6 0 "[ . 1 . 2]" 1
1842 1 90 GLU QB 1 91 VAL HA . . 5.500 4.455 4.206 4.750 . 0 0 "[ . 1 . 2]" 1
1843 1 90 GLU QB 1 91 VAL MG2 . . 5.500 4.669 4.417 4.936 . 0 0 "[ . 1 . 2]" 1
1844 1 90 GLU QG 1 91 VAL H . . 5.220 3.477 2.637 4.485 . 0 0 "[ . 1 . 2]" 1
1845 1 90 GLU QG 1 105 MET HA . . 4.920 3.297 1.880 4.849 . 0 0 "[ . 1 . 2]" 1
1846 1 91 VAL H 1 91 VAL HB . . 3.610 2.601 2.495 2.860 . 0 0 "[ . 1 . 2]" 1
1847 1 91 VAL H 1 91 VAL MG1 . . 4.600 3.831 3.784 3.942 . 0 0 "[ . 1 . 2]" 1
1848 1 91 VAL H 1 91 VAL MG2 . . 3.810 2.701 2.349 2.971 . 0 0 "[ . 1 . 2]" 1
1849 1 91 VAL H 1 103 SER H . . 4.290 4.005 3.411 4.253 . 0 0 "[ . 1 . 2]" 1
1850 1 91 VAL H 1 103 SER HB2 . . 4.550 4.224 3.704 4.534 . 0 0 "[ . 1 . 2]" 1
1851 1 91 VAL H 1 103 SER HB3 . . 4.280 3.910 3.467 4.184 . 0 0 "[ . 1 . 2]" 1
1852 1 91 VAL H 1 103 SER HG . . 3.660 2.321 1.897 2.751 . 0 0 "[ . 1 . 2]" 1
1853 1 91 VAL HA 1 91 VAL MG2 . . 3.640 2.341 2.232 2.457 . 0 0 "[ . 1 . 2]" 1
1854 1 91 VAL HA 1 92 GLY H . . 3.270 2.164 2.144 2.211 . 0 0 "[ . 1 . 2]" 1
1855 1 91 VAL HB 1 92 GLY QA . . 5.260 4.493 4.334 4.597 . 0 0 "[ . 1 . 2]" 1
1856 1 91 VAL HB 1 103 SER HB2 . . 4.940 4.537 4.134 4.896 . 0 0 "[ . 1 . 2]" 1
1857 1 91 VAL HB 1 103 SER HB3 . . 4.590 3.922 3.451 4.545 . 0 0 "[ . 1 . 2]" 1
1858 1 91 VAL MG1 1 92 GLY H . . 3.860 2.695 2.044 3.287 . 0 0 "[ . 1 . 2]" 1
1859 1 91 VAL MG1 1 92 GLY QA . . 4.690 3.332 3.081 3.548 . 0 0 "[ . 1 . 2]" 1
1860 1 91 VAL MG2 1 92 GLY H . . 4.590 4.082 3.868 4.249 . 0 0 "[ . 1 . 2]" 1
1861 1 93 ALA HA 1 94 CYS H . . 3.290 2.214 2.141 2.332 . 0 0 "[ . 1 . 2]" 1
1862 1 93 ALA HA 1 94 CYS QB . . 5.120 4.282 3.912 4.594 . 0 0 "[ . 1 . 2]" 1
1863 1 93 ALA MB 1 94 CYS H . . 3.930 2.935 2.620 3.285 . 0 0 "[ . 1 . 2]" 1
1864 1 94 CYS H 1 94 CYS QB . . 3.780 3.107 2.708 3.417 . 0 0 "[ . 1 . 2]" 1
1865 1 94 CYS HA 1 95 ASN H . . 3.240 2.241 2.158 2.414 . 0 0 "[ . 1 . 2]" 1
1866 1 94 CYS QB 1 95 ASN H . . 3.680 3.095 2.377 3.682 0.002 20 0 "[ . 1 . 2]" 1
1867 1 94 CYS QB 1 95 ASN HA . . 5.500 4.510 4.225 4.842 . 0 0 "[ . 1 . 2]" 1
1868 1 95 ASN H 1 98 GLY H . . 4.280 3.984 3.724 4.269 . 0 0 "[ . 1 . 2]" 1
1869 1 95 ASN HA 1 96 SER QB . . 4.450 4.261 4.134 4.412 . 0 0 "[ . 1 . 2]" 1
1870 1 95 ASN QB 1 96 SER H . . 3.770 2.412 2.143 3.603 . 0 0 "[ . 1 . 2]" 1
1871 1 95 ASN HB2 1 96 SER H . . 4.370 2.456 2.161 3.923 . 0 0 "[ . 1 . 2]" 1
1872 1 95 ASN HB3 1 96 SER H . . 4.370 3.716 3.504 4.198 . 0 0 "[ . 1 . 2]" 1
1873 1 95 ASN QD 1 97 ALA MB . . 4.610 2.250 1.872 2.898 . 0 0 "[ . 1 . 2]" 1
1874 1 96 SER QB 1 97 ALA H . . 4.640 2.998 2.590 3.740 . 0 0 "[ . 1 . 2]" 1
1875 1 97 ALA H 1 97 ALA MB . . 3.290 2.146 2.024 2.297 . 0 0 "[ . 1 . 2]" 1
1876 1 97 ALA H 1 98 GLY H . . 3.340 2.970 2.724 3.169 . 0 0 "[ . 1 . 2]" 1
1877 1 97 ALA MB 1 98 GLY H . . 3.550 1.961 1.879 2.122 . 0 0 "[ . 1 . 2]" 1
1878 1 98 GLY H 1 99 CYS H . . 4.760 4.510 4.480 4.537 . 0 0 "[ . 1 . 2]" 1
1879 1 98 GLY QA 1 99 CYS H . . 2.920 2.221 2.171 2.250 . 0 0 "[ . 1 . 2]" 1
1880 1 98 GLY QA 1 99 CYS HA . . 5.340 3.959 3.944 3.988 . 0 0 "[ . 1 . 2]" 1
1881 1 98 GLY HA2 1 99 CYS H . . 3.360 2.323 2.231 2.384 . 0 0 "[ . 1 . 2]" 1
1882 1 98 GLY HA3 1 99 CYS H . . 3.360 2.841 2.760 2.976 . 0 0 "[ . 1 . 2]" 1
1883 1 99 CYS H 1 99 CYS HB2 . . 3.930 2.983 2.353 3.746 . 0 0 "[ . 1 . 2]" 1
1884 1 99 CYS H 1 99 CYS QB . . 3.290 2.507 2.283 2.832 . 0 0 "[ . 1 . 2]" 1
1885 1 99 CYS H 1 99 CYS HB3 . . 3.930 3.013 2.535 3.660 . 0 0 "[ . 1 . 2]" 1
1886 1 99 CYS QB 1 100 GLY H . . 4.070 3.106 2.511 3.870 . 0 0 "[ . 1 . 2]" 1
1887 1 99 CYS HB2 1 100 GLY H . . 4.720 3.650 2.654 4.509 . 0 0 "[ . 1 . 2]" 1
1888 1 99 CYS HB3 1 100 GLY H . . 4.720 3.711 2.550 4.319 . 0 0 "[ . 1 . 2]" 1
1889 1 100 GLY H 1 101 PRO QD . . 5.290 4.365 4.325 4.380 . 0 0 "[ . 1 . 2]" 1
1890 1 100 GLY QA 1 101 PRO QG . . 4.620 3.691 3.680 3.700 . 0 0 "[ . 1 . 2]" 1
1891 1 101 PRO HA 1 102 PRO QD . . 3.010 1.955 1.882 1.995 . 0 0 "[ . 1 . 2]" 1
1892 1 101 PRO HA 1 102 PRO QG . . 4.870 3.856 3.788 3.898 . 0 0 "[ . 1 . 2]" 1
1893 1 101 PRO HB2 1 102 PRO QD . . 3.930 2.961 2.764 3.377 . 0 0 "[ . 1 . 2]" 1
1894 1 101 PRO HB3 1 102 PRO QD . . 3.790 3.171 3.045 3.452 . 0 0 "[ . 1 . 2]" 1
1895 1 102 PRO HA 1 103 SER H . . 3.280 2.312 2.182 2.493 . 0 0 "[ . 1 . 2]" 1
1896 1 102 PRO HA 1 103 SER HA . . 4.640 4.336 4.322 4.361 . 0 0 "[ . 1 . 2]" 1
1897 1 102 PRO QB 1 103 SER H . . 3.750 2.754 2.341 3.138 . 0 0 "[ . 1 . 2]" 1
1898 1 102 PRO HB2 1 103 SER H . . 4.410 2.863 2.391 3.321 . 0 0 "[ . 1 . 2]" 1
1899 1 102 PRO HB3 1 103 SER H . . 4.410 3.590 3.345 3.860 . 0 0 "[ . 1 . 2]" 1
1900 1 103 SER H 1 103 SER HB3 . . 3.870 2.593 2.475 2.781 . 0 0 "[ . 1 . 2]" 1
1901 1 103 SER H 1 104 ASP H . . 5.050 4.532 4.467 4.606 . 0 0 "[ . 1 . 2]" 1
1902 1 103 SER HA 1 104 ASP H . . 2.920 2.583 2.430 2.654 . 0 0 "[ . 1 . 2]" 1
1903 1 103 SER HA 1 104 ASP QB . . 4.720 4.519 4.291 4.691 . 0 0 "[ . 1 . 2]" 1
1904 1 103 SER HB2 1 104 ASP H . . 3.770 2.142 1.992 2.404 . 0 0 "[ . 1 . 2]" 1
1905 1 103 SER HB2 1 104 ASP QB . . 4.390 3.818 3.595 4.162 . 0 0 "[ . 1 . 2]" 1
1906 1 103 SER HB3 1 104 ASP H . . 3.960 3.634 3.497 3.796 . 0 0 "[ . 1 . 2]" 1
1907 1 103 SER HG 1 104 ASP H . . 4.410 3.608 2.853 4.381 . 0 0 "[ . 1 . 2]" 1
1908 1 104 ASP H 1 104 ASP HB2 . . 3.730 2.314 2.186 3.568 . 0 0 "[ . 1 . 2]" 1
1909 1 104 ASP H 1 104 ASP QB . . 3.120 2.210 2.131 2.337 . 0 0 "[ . 1 . 2]" 1
1910 1 104 ASP H 1 104 ASP HB3 . . 3.730 3.245 2.334 3.577 . 0 0 "[ . 1 . 2]" 1
1911 1 104 ASP H 1 105 MET H . . 4.670 4.590 4.461 4.648 . 0 0 "[ . 1 . 2]" 1
1912 1 104 ASP HA 1 105 MET H . . 2.690 2.222 2.140 2.398 . 0 0 "[ . 1 . 2]" 1
1913 1 104 ASP HA 1 105 MET HB2 . . 4.810 4.581 4.470 4.724 . 0 0 "[ . 1 . 2]" 1
1914 1 104 ASP HA 1 105 MET HB3 . . 4.810 4.628 4.475 4.756 . 0 0 "[ . 1 . 2]" 1
1915 1 104 ASP QB 1 105 MET H . . 3.450 3.192 2.628 3.461 0.011 13 0 "[ . 1 . 2]" 1
1916 1 104 ASP QB 1 106 ILE MD . . 4.390 3.519 2.318 4.070 . 0 0 "[ . 1 . 2]" 1
1917 1 104 ASP HB2 1 106 ILE MD . . 4.980 4.154 3.419 4.957 . 0 0 "[ . 1 . 2]" 1
1918 1 104 ASP HB3 1 106 ILE MD . . 4.980 4.030 2.337 4.928 . 0 0 "[ . 1 . 2]" 1
1919 1 105 MET H 1 105 MET HB2 . . 3.320 2.649 2.460 2.837 . 0 0 "[ . 1 . 2]" 1
1920 1 105 MET H 1 105 MET QB . . 2.900 2.249 2.196 2.282 . 0 0 "[ . 1 . 2]" 1
1921 1 105 MET H 1 105 MET HB3 . . 3.320 2.445 2.286 2.606 . 0 0 "[ . 1 . 2]" 1
1922 1 105 MET H 1 105 MET ME . . 4.750 4.600 3.813 4.743 . 0 0 "[ . 1 . 2]" 1
1923 1 105 MET H 1 105 MET QG . . 4.000 3.958 3.875 4.003 0.003 13 0 "[ . 1 . 2]" 1
1924 1 105 MET H 1 106 ILE H . . 4.450 4.379 4.195 4.454 0.004 17 0 "[ . 1 . 2]" 1
1925 1 105 MET HA 1 105 MET ME . . 4.230 3.624 2.062 4.129 . 0 0 "[ . 1 . 2]" 1
1926 1 105 MET HA 1 105 MET QG . . 3.370 2.498 2.385 2.843 . 0 0 "[ . 1 . 2]" 1
1927 1 105 MET HA 1 106 ILE H . . 2.950 2.157 2.141 2.210 . 0 0 "[ . 1 . 2]" 1
1928 1 105 MET QB 1 105 MET ME . . 3.350 2.362 1.865 3.250 . 0 0 "[ . 1 . 2]" 1
1929 1 105 MET QB 1 106 ILE H . . 4.010 3.905 3.819 3.995 . 0 0 "[ . 1 . 2]" 1
1930 1 105 MET HB2 1 105 MET ME . . 3.960 2.421 2.104 3.467 . 0 0 "[ . 1 . 2]" 1
1931 1 105 MET HB2 1 106 ILE H . . 4.590 4.368 4.265 4.496 . 0 0 "[ . 1 . 2]" 1
1932 1 105 MET HB3 1 105 MET ME . . 3.960 3.435 2.083 3.927 . 0 0 "[ . 1 . 2]" 1
1933 1 105 MET HB3 1 106 ILE H . . 4.590 4.401 4.309 4.517 . 0 0 "[ . 1 . 2]" 1
1934 1 105 MET QG 1 106 ILE H . . 3.700 3.163 2.921 3.550 . 0 0 "[ . 1 . 2]" 1
1935 1 106 ILE H 1 106 ILE HB . . 3.740 2.413 2.342 2.532 . 0 0 "[ . 1 . 2]" 1
1936 1 106 ILE H 1 106 ILE MD . . 4.380 3.647 2.242 4.153 . 0 0 "[ . 1 . 2]" 1
1937 1 106 ILE H 1 106 ILE HG12 . . 4.430 4.261 3.882 4.424 . 0 0 "[ . 1 . 2]" 1
1938 1 106 ILE H 1 106 ILE QG . . 3.730 3.036 2.815 3.441 . 0 0 "[ . 1 . 2]" 1
1939 1 106 ILE H 1 106 ILE HG13 . . 4.430 3.109 2.889 3.602 . 0 0 "[ . 1 . 2]" 1
1940 1 106 ILE H 1 106 ILE MG . . 3.970 3.698 3.674 3.791 . 0 0 "[ . 1 . 2]" 1
1941 1 106 ILE H 1 107 GLU H . . 4.550 4.522 4.483 4.564 0.014 12 0 "[ . 1 . 2]" 1
1942 1 106 ILE HA 1 106 ILE MD . . 3.720 3.748 3.291 3.792 0.072 7 0 "[ . 1 . 2]" 1
1943 1 106 ILE HA 1 106 ILE HG12 . . 4.040 2.680 2.320 3.477 . 0 0 "[ . 1 . 2]" 1
1944 1 106 ILE HA 1 106 ILE HG13 . . 4.040 2.565 2.264 3.056 . 0 0 "[ . 1 . 2]" 1
1945 1 106 ILE HA 1 106 ILE MG . . 3.320 2.518 2.380 2.562 . 0 0 "[ . 1 . 2]" 1
1946 1 106 ILE HA 1 107 GLU H . . 2.720 2.236 2.191 2.285 . 0 0 "[ . 1 . 2]" 1
1947 1 106 ILE HA 1 107 GLU HA . . 4.710 4.396 4.375 4.426 . 0 0 "[ . 1 . 2]" 1
1948 1 106 ILE HA 1 107 GLU HB3 . . 4.550 4.456 4.276 4.552 0.002 5 0 "[ . 1 . 2]" 1
1949 1 106 ILE HA 1 107 GLU QG . . 5.340 4.253 3.527 4.927 . 0 0 "[ . 1 . 2]" 1
1950 1 106 ILE HB 1 106 ILE MD . . 3.500 2.230 2.095 2.466 . 0 0 "[ . 1 . 2]" 1
1951 1 106 ILE HB 1 107 GLU H . . 4.190 4.076 3.901 4.179 . 0 0 "[ . 1 . 2]" 1
1952 1 106 ILE QG 1 107 GLU H . . 3.900 3.703 3.611 3.895 . 0 0 "[ . 1 . 2]" 1
1953 1 106 ILE MG 1 107 GLU H . . 3.510 2.118 1.922 2.344 . 0 0 "[ . 1 . 2]" 1
1954 1 106 ILE MG 1 107 GLU HA . . 4.860 3.414 3.280 3.712 . 0 0 "[ . 1 . 2]" 1
1955 1 106 ILE MG 1 108 ALA MB . . 3.730 3.486 3.322 3.619 . 0 0 "[ . 1 . 2]" 1
1956 1 107 GLU H 1 107 GLU HB2 . . 3.810 3.744 3.683 3.811 0.001 17 0 "[ . 1 . 2]" 1
1957 1 107 GLU H 1 107 GLU HB3 . . 3.220 3.046 2.876 3.219 . 0 0 "[ . 1 . 2]" 1
1958 1 107 GLU H 1 107 GLU QG . . 3.680 2.409 1.908 3.002 . 0 0 "[ . 1 . 2]" 1
1959 1 107 GLU H 1 108 ALA H . . 4.530 4.450 4.334 4.512 . 0 0 "[ . 1 . 2]" 1
1960 1 107 GLU HA 1 108 ALA H . . 2.800 2.204 2.150 2.278 . 0 0 "[ . 1 . 2]" 1
1961 1 107 GLU HA 1 108 ALA HA . . 5.070 4.408 4.389 4.454 . 0 0 "[ . 1 . 2]" 1
1962 1 107 GLU HA 1 108 ALA MB . . 4.470 3.894 3.850 3.943 . 0 0 "[ . 1 . 2]" 1
1963 1 107 GLU HB2 1 108 ALA H . . 3.720 3.023 2.756 3.296 . 0 0 "[ . 1 . 2]" 1
1964 1 107 GLU HB3 1 108 ALA H . . 4.130 4.069 3.903 4.134 0.004 5 0 "[ . 1 . 2]" 1
1965 1 107 GLU QG 1 108 ALA H . . 4.800 4.086 3.647 4.510 . 0 0 "[ . 1 . 2]" 1
1966 1 107 GLU QG 1 108 ALA HA . . 5.340 4.183 3.698 4.976 . 0 0 "[ . 1 . 2]" 1
1967 1 107 GLU HG2 1 108 ALA H . . 5.500 4.544 3.814 5.226 . 0 0 "[ . 1 . 2]" 1
1968 1 107 GLU HG3 1 108 ALA H . . 5.500 4.806 3.965 5.271 . 0 0 "[ . 1 . 2]" 1
1969 1 108 ALA H 1 108 ALA MB . . 3.410 2.407 2.293 2.561 . 0 0 "[ . 1 . 2]" 1
1970 1 108 ALA HA 1 109 PHE H . . 2.750 2.303 2.265 2.342 . 0 0 "[ . 1 . 2]" 1
1971 1 108 ALA HA 1 109 PHE HA . . 4.610 4.430 4.399 4.452 . 0 0 "[ . 1 . 2]" 1
1972 1 108 ALA HA 1 109 PHE HB2 . . 4.360 4.158 4.139 4.191 . 0 0 "[ . 1 . 2]" 1
1973 1 108 ALA HA 1 109 PHE HB3 . . 5.500 5.562 5.553 5.574 0.074 5 0 "[ . 1 . 2]" 1
1974 1 108 ALA HA 1 109 PHE QD . . 4.400 3.459 3.315 3.758 . 0 0 "[ . 1 . 2]" 1
1975 1 108 ALA MB 1 109 PHE H . . 3.150 2.629 2.505 2.721 . 0 0 "[ . 1 . 2]" 1
1976 1 108 ALA MB 1 109 PHE HA . . 4.470 3.964 3.929 4.047 . 0 0 "[ . 1 . 2]" 1
1977 1 108 ALA MB 1 109 PHE HB2 . . 4.960 4.746 4.701 4.759 . 0 0 "[ . 1 . 2]" 1
1978 1 108 ALA MB 1 109 PHE HB3 . . 5.500 5.499 5.471 5.511 0.011 11 0 "[ . 1 . 2]" 1
1979 1 108 ALA MB 1 109 PHE QD . . 4.850 4.437 4.186 4.791 . 0 0 "[ . 1 . 2]" 1
1980 1 109 PHE H 1 109 PHE HB2 . . 3.120 2.530 2.410 2.597 . 0 0 "[ . 1 . 2]" 1
1981 1 109 PHE H 1 109 PHE HB3 . . 3.720 3.623 3.559 3.659 . 0 0 "[ . 1 . 2]" 1
1982 1 109 PHE H 1 109 PHE QD . . 3.600 3.271 3.149 3.369 . 0 0 "[ . 1 . 2]" 1
1983 1 109 PHE H 1 109 PHE QE . . 5.500 5.502 5.404 5.516 0.016 10 0 "[ . 1 . 2]" 1
1984 1 109 PHE H 1 110 THR H . . 4.500 4.070 3.906 4.372 . 0 0 "[ . 1 . 2]" 1
1985 1 109 PHE HA 1 109 PHE QD . . 4.190 2.992 2.809 3.041 . 0 0 "[ . 1 . 2]" 1
1986 1 109 PHE HA 1 110 THR H . . 2.920 2.156 2.138 2.179 . 0 0 "[ . 1 . 2]" 1
1987 1 109 PHE HA 1 110 THR HA . . 4.930 4.422 4.373 4.456 . 0 0 "[ . 1 . 2]" 1
1988 1 109 PHE HA 1 110 THR MG . . 4.370 3.929 3.783 4.035 . 0 0 "[ . 1 . 2]" 1
1989 1 109 PHE HB2 1 110 THR H . . 4.640 4.543 4.401 4.582 . 0 0 "[ . 1 . 2]" 1
1990 1 109 PHE HB3 1 110 THR H . . 3.890 3.749 3.384 3.881 . 0 0 "[ . 1 . 2]" 1
1991 1 109 PHE HB3 1 110 THR MG . . 5.500 5.432 5.283 5.503 0.003 20 0 "[ . 1 . 2]" 1
1992 1 109 PHE QD 1 110 THR H . . 4.870 4.389 3.990 4.599 . 0 0 "[ . 1 . 2]" 1
1993 1 110 THR H 1 110 THR HB . . 4.130 3.618 3.611 3.640 . 0 0 "[ . 1 . 2]" 1
1994 1 110 THR H 1 110 THR HG1 . . 3.910 3.514 3.403 3.640 . 0 0 "[ . 1 . 2]" 1
1995 1 110 THR H 1 110 THR MG . . 3.380 2.359 2.122 2.636 . 0 0 "[ . 1 . 2]" 1
1996 1 110 THR HA 1 110 THR MG . . 3.280 2.296 2.208 2.413 . 0 0 "[ . 1 . 2]" 1
1997 1 110 THR HA 1 111 LYS H . . 3.090 2.478 2.295 2.646 . 0 0 "[ . 1 . 2]" 1
1998 1 110 THR HA 1 111 LYS QG . . 4.560 3.498 3.128 3.769 . 0 0 "[ . 1 . 2]" 1
1999 1 110 THR HB 1 111 LYS H . . 3.620 2.231 1.911 2.665 . 0 0 "[ . 1 . 2]" 1
2000 1 110 THR HB 1 111 LYS HA . . 5.480 4.610 4.464 4.844 . 0 0 "[ . 1 . 2]" 1
2001 1 110 THR HG1 1 110 THR MG . . 3.220 2.509 2.344 2.656 . 0 0 "[ . 1 . 2]" 1
2002 1 110 THR HG1 1 111 LYS H . . 4.740 4.013 3.610 4.383 . 0 0 "[ . 1 . 2]" 1
2003 1 110 THR MG 1 111 LYS H . . 4.000 3.585 3.466 3.778 . 0 0 "[ . 1 . 2]" 1
2004 1 111 LYS H 1 111 LYS HB2 . . 3.750 2.532 2.428 2.779 . 0 0 "[ . 1 . 2]" 1
2005 1 111 LYS H 1 111 LYS QB . . 3.270 2.487 2.392 2.707 . 0 0 "[ . 1 . 2]" 1
2006 1 111 LYS H 1 111 LYS HB3 . . 3.750 3.647 3.597 3.733 . 0 0 "[ . 1 . 2]" 1
2007 1 111 LYS H 1 111 LYS QD . . 4.550 3.931 3.356 4.350 . 0 0 "[ . 1 . 2]" 1
2008 1 111 LYS H 1 111 LYS HG2 . . 3.800 2.432 1.990 3.289 . 0 0 "[ . 1 . 2]" 1
2009 1 111 LYS H 1 111 LYS QG . . 3.290 2.366 1.976 2.612 . 0 0 "[ . 1 . 2]" 1
2010 1 111 LYS H 1 111 LYS HG3 . . 3.800 3.569 2.715 3.769 . 0 0 "[ . 1 . 2]" 1
2011 1 111 LYS H 1 112 LYS H . . 4.700 4.551 4.450 4.614 . 0 0 "[ . 1 . 2]" 1
2012 1 111 LYS HA 1 111 LYS HD2 . . 4.460 3.483 2.731 4.438 . 0 0 "[ . 1 . 2]" 1
2013 1 111 LYS HA 1 111 LYS QD . . 3.650 2.432 2.077 3.645 . 0 0 "[ . 1 . 2]" 1
2014 1 111 LYS HA 1 111 LYS HD3 . . 4.460 2.507 2.094 3.875 . 0 0 "[ . 1 . 2]" 1
2015 1 111 LYS HA 1 111 LYS HE2 . . 5.500 4.057 2.012 5.141 . 0 0 "[ . 1 . 2]" 1
2016 1 111 LYS HA 1 111 LYS HE3 . . 5.500 4.568 3.032 5.266 . 0 0 "[ . 1 . 2]" 1
2017 1 111 LYS HA 1 111 LYS HG2 . . 3.960 2.918 2.376 3.107 . 0 0 "[ . 1 . 2]" 1
2018 1 111 LYS HA 1 111 LYS QG . . 3.300 2.828 2.334 2.983 . 0 0 "[ . 1 . 2]" 1
2019 1 111 LYS HA 1 111 LYS HG3 . . 3.960 3.800 3.413 3.938 . 0 0 "[ . 1 . 2]" 1
2020 1 111 LYS HA 1 112 LYS H . . 3.110 2.480 2.394 2.611 . 0 0 "[ . 1 . 2]" 1
2021 1 111 LYS QB 1 111 LYS QD . . 3.140 2.202 2.061 2.309 . 0 0 "[ . 1 . 2]" 1
2022 1 111 LYS QB 1 112 LYS H . . 2.930 2.261 2.038 2.447 . 0 0 "[ . 1 . 2]" 1
2023 1 111 LYS HB2 1 112 LYS H . . 3.490 3.403 2.898 3.490 . 0 0 "[ . 1 . 2]" 1
2024 1 111 LYS HB3 1 112 LYS H . . 3.490 2.297 2.058 2.506 . 0 0 "[ . 1 . 2]" 1
2025 1 111 LYS QD 1 112 LYS H . . 5.140 3.542 3.253 3.973 . 0 0 "[ . 1 . 2]" 1
2026 1 111 LYS QE 1 111 LYS QG . . 3.110 2.159 2.059 2.324 . 0 0 "[ . 1 . 2]" 1
2027 1 112 LYS H 1 112 LYS HB2 . . 3.710 2.348 2.188 2.517 . 0 0 "[ . 1 . 2]" 1
2028 1 112 LYS H 1 112 LYS HB3 . . 3.710 3.574 3.483 3.625 . 0 0 "[ . 1 . 2]" 1
2029 1 112 LYS H 1 112 LYS QD . . 4.220 3.547 1.886 4.221 0.001 5 0 "[ . 1 . 2]" 1
2030 1 112 LYS H 1 112 LYS QG . . 3.430 2.721 2.287 3.393 . 0 0 "[ . 1 . 2]" 1
2031 1 112 LYS H 1 113 ALA H . . 4.730 4.462 4.126 4.588 . 0 0 "[ . 1 . 2]" 1
2032 1 112 LYS HA 1 112 LYS QE . . 4.630 4.328 3.492 4.628 . 0 0 "[ . 1 . 2]" 1
2033 1 112 LYS HA 1 112 LYS HG2 . . 3.950 2.831 2.397 3.579 . 0 0 "[ . 1 . 2]" 1
2034 1 112 LYS HA 1 112 LYS QG . . 3.250 2.404 2.232 2.591 . 0 0 "[ . 1 . 2]" 1
2035 1 112 LYS HA 1 112 LYS HG3 . . 3.950 2.766 2.257 3.689 . 0 0 "[ . 1 . 2]" 1
2036 1 112 LYS HA 1 113 ALA H . . 2.940 2.167 2.141 2.243 . 0 0 "[ . 1 . 2]" 1
2037 1 112 LYS HA 1 113 ALA MB . . 4.830 3.958 3.855 4.025 . 0 0 "[ . 1 . 2]" 1
2038 1 112 LYS QB 1 112 LYS QE . . 4.180 2.966 2.044 3.777 . 0 0 "[ . 1 . 2]" 1
2039 1 112 LYS QB 1 112 LYS QG . . 2.350 2.058 2.009 2.086 . 0 0 "[ . 1 . 2]" 1
2040 1 112 LYS QB 1 113 ALA H . . 3.740 3.285 3.052 3.751 0.011 16 0 "[ . 1 . 2]" 1
2041 1 112 LYS QE 1 112 LYS QG . . 2.990 2.205 2.068 2.587 . 0 0 "[ . 1 . 2]" 1
2042 1 113 ALA H 1 113 ALA MB . . 3.000 2.196 2.025 2.712 . 0 0 "[ . 1 . 2]" 1
2043 1 113 ALA MB 1 114 SER H . . 4.900 3.103 2.043 3.666 . 0 0 "[ . 1 . 2]" 1
2044 1 115 GLY QA 1 116 PRO QG . . 4.400 3.682 3.657 3.698 . 0 0 "[ . 1 . 2]" 1
2045 1 115 GLY HA2 1 116 PRO QD . . 3.170 2.275 1.948 2.650 . 0 0 "[ . 1 . 2]" 1
2046 1 115 GLY HA3 1 116 PRO QD . . 3.170 2.342 1.956 2.843 . 0 0 "[ . 1 . 2]" 1
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