NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407233 |
1y15   |
5197 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y15
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 1845
_Distance_constraint_stats_list.Viol_count 4048
_Distance_constraint_stats_list.Viol_total 6559.159
_Distance_constraint_stats_list.Viol_max 0.985
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0810
_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 1 VAL 2.097 0.098 16 0 "[ . 1 . 2]"
1 2 VAL 2.340 0.106 9 0 "[ . 1 . 2]"
1 3 GLY 2.199 0.098 16 0 "[ . 1 . 2]"
1 4 GLY 1.405 0.087 19 0 "[ . 1 . 2]"
1 5 LEU 2.876 0.114 18 0 "[ . 1 . 2]"
1 6 GLY 4.172 0.487 10 0 "[ . 1 . 2]"
1 7 GLY 6.671 0.506 17 1 "[ . 1 . + 2]"
1 8 TYR 7.047 0.506 17 1 "[ . 1 . + 2]"
1 9 MET 5.189 0.113 3 0 "[ . 1 . 2]"
1 10 LEU 4.237 0.341 17 0 "[ . 1 . 2]"
1 11 GLY 4.021 0.297 9 0 "[ . 1 . 2]"
1 12 SER 6.274 0.985 10 3 "[- . + *. 2]"
1 13 ALA 8.379 0.731 9 1 "[ . +1 . 2]"
1 14 MET 9.231 0.127 20 0 "[ . 1 . 2]"
1 15 SER 0.378 0.067 20 0 "[ . 1 . 2]"
1 16 ARG 3.268 0.113 5 0 "[ . 1 . 2]"
1 17 PRO 1.615 0.224 8 0 "[ . 1 . 2]"
1 18 MET 3.146 0.112 5 0 "[ . 1 . 2]"
1 19 ILE 10.830 0.826 2 2 "[ + . 1 . -2]"
1 20 HIS 6.068 0.396 20 0 "[ . 1 . 2]"
1 21 PHE 12.296 0.303 4 0 "[ . 1 . 2]"
1 22 GLY 0.790 0.087 13 0 "[ . 1 . 2]"
1 23 ASN 4.298 0.731 13 1 "[ . 1 + . 2]"
1 24 ASP 3.525 0.102 8 0 "[ . 1 . 2]"
1 25 TRP 9.308 0.731 13 1 "[ . 1 + . 2]"
1 26 GLU 6.959 0.230 11 0 "[ . 1 . 2]"
1 27 ASP 1.414 0.093 13 0 "[ . 1 . 2]"
1 28 ARG 6.845 0.154 11 0 "[ . 1 . 2]"
1 29 TYR 5.825 0.115 15 0 "[ . 1 . 2]"
1 30 TYR 5.736 0.120 8 0 "[ . 1 . 2]"
1 31 ARG 7.133 0.180 20 0 "[ . 1 . 2]"
1 32 GLU 5.041 0.598 17 1 "[ . 1 . + 2]"
1 33 ASN 3.585 0.598 17 1 "[ . 1 . + 2]"
1 34 MET 5.987 0.113 5 0 "[ . 1 . 2]"
1 35 TYR 5.100 0.171 10 0 "[ . 1 . 2]"
1 36 ARG 3.994 0.171 10 0 "[ . 1 . 2]"
1 37 TYR 6.294 0.158 14 0 "[ . 1 . 2]"
1 38 PRO 2.163 0.483 9 0 "[ . 1 . 2]"
1 39 ASN 1.206 0.243 20 0 "[ . 1 . 2]"
1 40 GLN 12.182 0.731 9 2 "[ . +1 . -]"
1 41 VAL 1.162 0.091 7 0 "[ . 1 . 2]"
1 42 TYR 5.698 0.539 18 1 "[ . 1 . + 2]"
1 43 TYR 8.412 0.274 11 0 "[ . 1 . 2]"
1 44 ARG 3.500 0.503 11 1 "[ . 1+ . 2]"
1 45 PRO 1.996 0.093 8 0 "[ . 1 . 2]"
1 46 VAL 1.960 0.188 2 0 "[ . 1 . 2]"
1 48 GLN 1.336 0.206 14 0 "[ . 1 . 2]"
1 49 TYR 4.555 0.503 11 1 "[ . 1+ . 2]"
1 50 SER 1.231 0.478 15 0 "[ . 1 . 2]"
1 51 ASN 2.480 0.478 15 0 "[ . 1 . 2]"
1 52 GLN 4.429 0.844 3 3 "[ + . 1 .- *]"
1 53 ASN 6.011 0.844 3 2 "[ + . 1 . -]"
1 54 THR 5.417 0.115 7 0 "[ . 1 . 2]"
1 55 PHE 2.958 0.126 7 0 "[ . 1 . 2]"
1 56 VAL 3.458 0.631 16 1 "[ . 1 .+ 2]"
1 57 HIS 2.489 0.096 9 0 "[ . 1 . 2]"
1 58 ASP 1.970 0.086 19 0 "[ . 1 . 2]"
1 59 CYS 1.368 0.210 20 0 "[ . 1 . 2]"
1 60 VAL 4.784 0.238 16 0 "[ . 1 . 2]"
1 61 ASN 7.598 0.109 15 0 "[ . 1 . 2]"
1 62 ILE 6.480 0.135 1 0 "[ . 1 . 2]"
1 63 THR 8.542 0.562 20 1 "[ . 1 . +]"
1 64 ILE 5.411 0.238 16 0 "[ . 1 . 2]"
1 65 LYS 5.051 0.114 1 0 "[ . 1 . 2]"
1 66 GLN 7.145 0.539 18 1 "[ . 1 . + 2]"
1 67 HIS 4.529 0.483 9 0 "[ . 1 . 2]"
1 68 THR 8.475 0.135 11 0 "[ . 1 . 2]"
1 69 VAL 10.836 0.120 9 0 "[ . 1 . 2]"
1 70 THR 7.624 0.094 18 0 "[ . 1 . 2]"
1 71 THR 7.722 0.146 18 0 "[ . 1 . 2]"
1 72 THR 11.369 0.128 20 0 "[ . 1 . 2]"
1 73 THR 5.386 0.120 9 0 "[ . 1 . 2]"
1 74 LYS 4.945 0.108 8 0 "[ . 1 . 2]"
1 75 GLY 1.585 0.082 1 0 "[ . 1 . 2]"
1 76 GLU 7.431 0.106 5 0 "[ . 1 . 2]"
1 77 ASN 6.230 0.110 18 0 "[ . 1 . 2]"
1 78 PHE 12.024 0.146 18 0 "[ . 1 . 2]"
1 79 THR 4.944 0.109 2 0 "[ . 1 . 2]"
1 80 GLU 3.294 0.089 12 0 "[ . 1 . 2]"
1 81 THR 6.702 0.129 6 0 "[ . 1 . 2]"
1 82 ASP 6.754 0.112 14 0 "[ . 1 . 2]"
1 83 VAL 2.160 0.107 10 0 "[ . 1 . 2]"
1 84 LYS 6.140 0.115 10 0 "[ . 1 . 2]"
1 85 MET 7.488 0.129 6 0 "[ . 1 . 2]"
1 86 MET 7.895 0.158 14 0 "[ . 1 . 2]"
1 87 GLU 4.818 0.105 20 0 "[ . 1 . 2]"
1 88 ARG 11.089 0.303 4 0 "[ . 1 . 2]"
1 89 VAL 5.858 0.725 19 2 "[ - . 1 . +2]"
1 90 VAL 1.243 0.106 2 0 "[ . 1 . 2]"
1 91 GLU 1.987 0.181 19 0 "[ . 1 . 2]"
1 92 GLN 9.355 0.826 2 2 "[ + . 1 . -2]"
1 93 MET 3.540 0.120 1 0 "[ . 1 . 2]"
1 94 CYS 3.819 0.120 1 0 "[ . 1 . 2]"
1 95 VAL 1.947 0.271 20 0 "[ . 1 . 2]"
1 96 THR 8.170 0.134 13 0 "[ . 1 . 2]"
1 97 GLN 9.204 0.985 10 3 "[- . + *. 2]"
1 98 TYR 5.943 0.394 20 0 "[ . 1 . 2]"
1 99 GLN 7.272 0.394 20 0 "[ . 1 . 2]"
1 100 LYS 5.232 0.307 7 0 "[ . 1 . 2]"
1 101 GLU 6.950 0.576 3 4 "[ +-. 1* . * 2]"
1 102 SER 0.563 0.079 3 0 "[ . 1 . 2]"
1 103 GLN 4.012 0.285 3 0 "[ . 1 . 2]"
1 104 ALA 4.819 0.118 16 0 "[ . 1 . 2]"
1 105 TYR 3.745 0.118 16 0 "[ . 1 . 2]"
1 106 TYR 15.511 0.724 10 4 "[ * +-* . 2]"
1 107 ASP 3.855 0.223 10 0 "[ . 1 . 2]"
1 108 GLY 7.312 0.724 10 4 "[ * +-* . 2]"
1 109 ARG 10.775 0.127 17 0 "[ . 1 . 2]"
1 110 ARG 6.897 0.331 13 0 "[ . 1 . 2]"
1 111 SER 7.900 0.710 7 4 "[ * -. + *1 . 2]"
1 112 SER 1.899 0.097 14 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 1 VAL H1 1 1 VAL HB . . 3.120 2.877 2.382 3.212 0.092 7 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL QG . . 3.290 2.363 1.776 3.068 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL H1 1 3 GLY H . . 4.220 3.947 2.441 4.318 0.098 16 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 1 VAL HB . . 3.000 2.641 2.162 3.056 0.056 6 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 1 VAL QG . . 2.960 2.219 2.115 2.417 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 2 VAL H . . 2.570 2.418 2.187 2.644 0.074 18 0 "[ . 1 . 2]" 1
7 1 1 VAL QG 1 3 GLY QA . . 4.850 3.445 2.219 4.762 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL H 1 2 VAL HB . . 2.870 2.550 1.816 2.962 0.092 16 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 2 VAL QG . . 3.110 2.395 1.653 3.048 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 3 GLY H . . 3.720 3.323 2.698 3.799 0.079 3 0 "[ . 1 . 2]" 1
11 1 2 VAL H 1 3 GLY QA . . 4.910 4.750 4.275 5.007 0.097 7 0 "[ . 1 . 2]" 1
12 1 2 VAL HA 1 2 VAL QG . . 2.790 2.230 1.972 2.440 . 0 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 3 GLY H . . 2.890 2.625 2.122 2.973 0.083 10 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 4 GLY H . . 4.570 4.086 2.951 4.650 0.080 6 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 69 VAL MG2 . . 5.040 4.485 2.845 5.146 0.106 9 0 "[ . 1 . 2]" 1
16 1 2 VAL HB 1 3 GLY H . . 4.920 4.557 4.356 4.738 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL HB 1 5 LEU QD . . 4.520 3.825 2.139 4.330 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL HB 1 69 VAL MG2 . . 5.120 4.792 4.182 5.215 0.095 16 0 "[ . 1 . 2]" 1
19 1 2 VAL QG 1 4 GLY H . . 4.710 3.029 2.150 4.347 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL QG 1 5 LEU H . . 4.830 3.029 1.948 4.163 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL QG 1 5 LEU QB . . 4.750 3.162 2.001 4.207 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL QG 1 5 LEU QD . . 2.990 2.045 1.784 2.677 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL QG 1 5 LEU HG . . 5.220 2.851 1.890 4.067 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL QG 1 8 TYR QD . . 5.270 5.052 4.724 5.299 0.029 3 0 "[ . 1 . 2]" 1
25 1 3 GLY H 1 3 GLY QA . . 2.650 2.210 2.123 2.294 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLY H 1 4 GLY H . . 3.410 3.061 2.556 3.492 0.082 4 0 "[ . 1 . 2]" 1
27 1 4 GLY H 1 4 GLY QA . . 2.440 2.350 2.129 2.517 0.077 13 0 "[ . 1 . 2]" 1
28 1 4 GLY H 1 5 LEU H . . 3.600 3.158 2.200 3.687 0.087 19 0 "[ . 1 . 2]" 1
29 1 4 GLY QA 1 5 LEU H . . 2.790 2.308 1.841 2.855 0.065 3 0 "[ . 1 . 2]" 1
30 1 4 GLY QA 1 5 LEU QB . . 4.420 4.076 3.085 4.329 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLY QA 1 5 LEU QD . . 5.050 3.839 2.703 4.811 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 5 LEU QB . . 2.800 2.370 2.009 2.817 0.017 9 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 5 LEU QD . . 4.560 2.859 1.883 3.731 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU HA 1 5 LEU QD . . 3.090 2.228 1.975 3.088 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU HA 1 5 LEU HG . . 3.940 3.399 2.730 3.822 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 6 GLY H . . 2.870 2.156 1.907 2.277 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 7 GLY H . . 5.000 4.275 3.366 5.049 0.049 17 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 8 TYR H . . 5.470 4.549 3.868 5.354 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 8 TYR HB2 . . 4.360 4.344 4.000 4.454 0.094 9 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 8 TYR QD . . 3.730 2.810 2.155 3.596 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HA 1 8 TYR QE . . 4.520 2.861 2.196 3.861 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU HA 1 62 ILE MD . . 4.980 4.314 1.921 5.094 0.114 18 0 "[ . 1 . 2]" 1
43 1 5 LEU HA 1 62 ILE MG . . 5.460 4.705 3.358 5.545 0.085 9 0 "[ . 1 . 2]" 1
44 1 5 LEU QB 1 6 GLY H . . 3.900 3.341 2.674 3.713 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU QB 1 7 GLY H . . 5.360 3.687 2.843 5.074 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU QB 1 8 TYR H . . 4.610 2.976 2.353 3.726 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU QB 1 8 TYR HA . . 5.010 4.748 4.167 4.973 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU QB 1 8 TYR HB2 . . 4.100 2.438 1.990 3.113 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU QB 1 8 TYR QD . . 4.480 2.360 1.969 2.867 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU QB 1 8 TYR QE . . 4.360 3.874 3.222 4.217 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU QD 1 6 GLY H . . 4.980 3.407 2.573 3.864 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU QD 1 8 TYR HA . . 4.910 4.409 3.629 4.895 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU QD 1 8 TYR HB2 . . 4.430 2.412 1.992 3.525 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU QD 1 8 TYR HB3 . . 5.390 3.204 2.611 3.895 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU QD 1 8 TYR QD . . 5.440 2.610 1.934 2.938 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU QD 1 8 TYR QE . . 5.190 3.169 2.472 4.098 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU QD 1 42 TYR QE . . 4.390 3.323 2.507 4.332 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU QD 1 62 ILE MD . . 3.260 2.831 2.016 3.304 0.044 6 0 "[ . 1 . 2]" 1
59 1 5 LEU QD 1 62 ILE MG . . 3.650 2.248 1.833 2.859 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU QD 1 66 GLN HE21 . . 5.500 2.623 1.689 4.189 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU QD 1 66 GLN HE22 . . 5.500 3.122 2.789 4.077 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU QD 1 66 GLN HG2 . . 5.260 3.046 2.082 3.673 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU QD 1 66 GLN HG3 . . 5.110 2.642 2.017 3.440 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU HG 1 8 TYR HB2 . . 5.080 3.664 1.955 4.938 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU HG 1 8 TYR QD . . 4.940 4.086 2.327 4.826 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU HG 1 42 TYR QE . . 5.300 5.110 4.125 5.402 0.102 6 0 "[ . 1 . 2]" 1
67 1 6 GLY H 1 6 GLY HA3 . . 2.810 2.347 2.235 2.709 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLY H 1 7 GLY H . . 3.670 3.096 2.042 3.740 0.070 10 0 "[ . 1 . 2]" 1
69 1 6 GLY H 1 7 GLY HA2 . . 5.220 5.307 4.710 5.707 0.487 10 0 "[ . 1 . 2]" 1
70 1 6 GLY H 1 8 TYR H . . 5.090 4.132 2.751 5.137 0.047 15 0 "[ . 1 . 2]" 1
71 1 6 GLY H 1 8 TYR QD . . 5.140 2.501 1.728 2.985 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLY HA2 1 8 TYR QD . . 4.970 4.553 4.199 5.324 0.354 11 0 "[ . 1 . 2]" 1
73 1 7 GLY H 1 7 GLY HA3 . . 2.900 2.775 2.422 2.978 0.078 17 0 "[ . 1 . 2]" 1
74 1 7 GLY H 1 8 TYR H . . 3.310 2.662 2.038 3.390 0.080 2 0 "[ . 1 . 2]" 1
75 1 7 GLY H 1 8 TYR HB2 . . 4.980 4.550 3.664 5.041 0.061 12 0 "[ . 1 . 2]" 1
76 1 7 GLY H 1 8 TYR QD . . 4.870 2.929 1.835 3.946 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY HA2 1 8 TYR H . . 3.620 2.821 2.419 3.393 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY HA2 1 8 TYR QD . . 4.670 4.499 3.886 5.176 0.506 17 1 "[ . 1 . + 2]" 1
79 1 7 GLY HA3 1 8 TYR H . . 3.510 3.548 3.308 3.676 0.166 4 0 "[ . 1 . 2]" 1
80 1 8 TYR H 1 8 TYR HB2 . . 3.190 2.434 2.282 2.634 . 0 0 "[ . 1 . 2]" 1
81 1 8 TYR H 1 8 TYR HB3 . . 3.580 3.621 3.535 3.675 0.095 18 0 "[ . 1 . 2]" 1
82 1 8 TYR H 1 8 TYR QD . . 3.300 2.397 1.775 2.688 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR H 1 8 TYR QE . . 4.780 4.632 4.076 4.871 0.091 2 0 "[ . 1 . 2]" 1
84 1 8 TYR H 1 9 MET H . . 4.750 4.526 4.248 4.746 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR HA 1 8 TYR QD . . 3.800 3.062 2.253 3.332 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR HA 1 9 MET H . . 3.140 2.378 2.079 2.727 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR HA 1 9 MET HB2 . . 5.170 4.141 3.848 4.519 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR HA 1 44 ARG QD . . 5.110 2.932 2.097 4.682 . 0 0 "[ . 1 . 2]" 1
89 1 8 TYR HA 1 44 ARG QG . . 4.720 3.735 2.177 4.554 . 0 0 "[ . 1 . 2]" 1
90 1 8 TYR HB2 1 9 MET H . . 4.130 3.872 3.463 4.214 0.084 12 0 "[ . 1 . 2]" 1
91 1 8 TYR HB2 1 43 TYR H . . 5.500 5.282 4.616 5.567 0.067 4 0 "[ . 1 . 2]" 1
92 1 8 TYR HB3 1 9 MET H . . 3.880 2.682 2.121 3.299 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR HB3 1 42 TYR HA . . 4.880 4.070 3.372 4.953 0.073 17 0 "[ . 1 . 2]" 1
94 1 8 TYR HB3 1 43 TYR H . . 4.510 3.629 2.990 3.975 . 0 0 "[ . 1 . 2]" 1
95 1 8 TYR HB3 1 62 ILE MG . . 4.400 3.688 2.847 4.187 . 0 0 "[ . 1 . 2]" 1
96 1 8 TYR QD 1 9 MET H . . 4.560 3.916 3.493 4.623 0.063 18 0 "[ . 1 . 2]" 1
97 1 8 TYR QD 1 43 TYR H . . 4.530 3.934 3.245 4.611 0.081 11 0 "[ . 1 . 2]" 1
98 1 8 TYR QD 1 43 TYR HA . . 4.150 3.451 2.175 4.173 0.023 4 0 "[ . 1 . 2]" 1
99 1 8 TYR QD 1 44 ARG QD . . 4.880 2.855 2.297 3.382 . 0 0 "[ . 1 . 2]" 1
100 1 8 TYR QD 1 44 ARG QG . . 4.940 4.101 3.284 4.671 . 0 0 "[ . 1 . 2]" 1
101 1 8 TYR QD 1 62 ILE MD . . 4.660 4.206 2.874 4.764 0.104 4 0 "[ . 1 . 2]" 1
102 1 8 TYR QD 1 62 ILE MG . . 3.990 2.755 2.368 3.153 . 0 0 "[ . 1 . 2]" 1
103 1 8 TYR QE 1 44 ARG QD . . 3.610 2.765 2.128 3.347 . 0 0 "[ . 1 . 2]" 1
104 1 8 TYR QE 1 44 ARG QG . . 5.310 4.127 2.352 4.861 . 0 0 "[ . 1 . 2]" 1
105 1 8 TYR QE 1 62 ILE HB . . 4.480 3.700 2.623 4.557 0.077 20 0 "[ . 1 . 2]" 1
106 1 8 TYR QE 1 62 ILE MD . . 3.930 3.242 2.656 3.819 . 0 0 "[ . 1 . 2]" 1
107 1 8 TYR QE 1 62 ILE QG . . 4.380 2.388 2.156 2.852 . 0 0 "[ . 1 . 2]" 1
108 1 8 TYR QE 1 62 ILE MG . . 3.790 3.042 2.431 3.874 0.084 19 0 "[ . 1 . 2]" 1
109 1 9 MET H 1 9 MET HB2 . . 3.810 2.571 2.100 2.932 . 0 0 "[ . 1 . 2]" 1
110 1 9 MET H 1 9 MET ME . . 5.500 4.910 4.630 5.416 . 0 0 "[ . 1 . 2]" 1
111 1 9 MET H 1 9 MET QG . . 4.060 3.874 3.331 4.135 0.075 9 0 "[ . 1 . 2]" 1
112 1 9 MET H 1 10 LEU H . . 5.040 4.433 4.259 4.629 . 0 0 "[ . 1 . 2]" 1
113 1 9 MET H 1 42 TYR HA . . 4.970 4.293 3.765 4.862 . 0 0 "[ . 1 . 2]" 1
114 1 9 MET H 1 42 TYR QD . . 5.500 3.976 2.939 4.877 . 0 0 "[ . 1 . 2]" 1
115 1 9 MET H 1 43 TYR H . . 3.850 2.930 2.291 3.636 . 0 0 "[ . 1 . 2]" 1
116 1 9 MET H 1 44 ARG HA . . 4.570 3.618 2.795 4.351 . 0 0 "[ . 1 . 2]" 1
117 1 9 MET HA 1 9 MET ME . . 3.710 3.440 2.956 3.809 0.099 1 0 "[ . 1 . 2]" 1
118 1 9 MET HA 1 9 MET QG . . 3.190 2.414 2.062 3.040 . 0 0 "[ . 1 . 2]" 1
119 1 9 MET HA 1 10 LEU H . . 2.860 2.099 1.906 2.345 . 0 0 "[ . 1 . 2]" 1
120 1 9 MET HA 1 10 LEU HA . . 3.920 4.017 4.008 4.027 0.107 20 0 "[ . 1 . 2]" 1
121 1 9 MET HA 1 10 LEU QD . . 5.500 4.938 4.490 5.139 . 0 0 "[ . 1 . 2]" 1
122 1 9 MET HA 1 42 TYR QE . . 4.680 4.525 3.669 4.776 0.096 8 0 "[ . 1 . 2]" 1
123 1 9 MET HB2 1 9 MET ME . . 4.010 3.603 3.409 4.102 0.092 12 0 "[ . 1 . 2]" 1
124 1 9 MET HB2 1 43 TYR H . . 4.890 4.490 3.878 4.954 0.064 17 0 "[ . 1 . 2]" 1
125 1 9 MET HB2 1 43 TYR QE . . 4.730 3.691 2.772 4.529 . 0 0 "[ . 1 . 2]" 1
126 1 9 MET HB3 1 9 MET ME . . 4.640 2.346 2.096 4.132 . 0 0 "[ . 1 . 2]" 1
127 1 9 MET HB3 1 10 LEU HA . . 4.780 4.695 4.544 4.863 0.083 12 0 "[ . 1 . 2]" 1
128 1 9 MET HB3 1 43 TYR QE . . 4.190 2.981 2.332 3.398 . 0 0 "[ . 1 . 2]" 1
129 1 9 MET ME 1 10 LEU H . . 5.500 2.481 2.215 3.288 . 0 0 "[ . 1 . 2]" 1
130 1 9 MET ME 1 10 LEU QB . . 4.010 3.144 2.693 3.934 . 0 0 "[ . 1 . 2]" 1
131 1 9 MET ME 1 10 LEU HG . . 5.460 4.942 4.319 5.520 0.060 15 0 "[ . 1 . 2]" 1
132 1 9 MET ME 1 43 TYR QD . . 5.090 4.661 4.007 5.203 0.113 3 0 "[ . 1 . 2]" 1
133 1 9 MET ME 1 43 TYR QE . . 3.910 3.215 2.464 3.888 . 0 0 "[ . 1 . 2]" 1
134 1 9 MET QG 1 10 LEU H . . 4.600 3.212 1.932 4.075 . 0 0 "[ . 1 . 2]" 1
135 1 9 MET QG 1 43 TYR QE . . 4.410 4.084 2.119 4.515 0.105 14 0 "[ . 1 . 2]" 1
136 1 10 LEU H 1 10 LEU QB . . 3.060 2.191 2.029 2.268 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU H 1 10 LEU QD . . 4.520 3.760 3.605 3.839 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU H 1 10 LEU HG . . 4.600 4.315 3.371 4.663 0.063 1 0 "[ . 1 . 2]" 1
139 1 10 LEU H 1 11 GLY H . . 4.890 4.338 3.437 4.664 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU H 1 42 TYR QD . . 5.500 4.054 3.754 4.820 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU H 1 42 TYR QE . . 5.380 4.141 3.552 5.066 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU HA 1 10 LEU QD . . 3.140 2.208 2.067 2.422 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU HA 1 11 GLY H . . 3.190 2.335 2.181 2.649 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU HA 1 42 TYR HA . . 3.470 2.839 2.193 3.237 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU HA 1 42 TYR QD . . 4.860 2.487 1.974 3.816 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU HA 1 42 TYR QE . . 4.510 3.180 2.533 4.560 0.050 20 0 "[ . 1 . 2]" 1
147 1 10 LEU HA 1 43 TYR H . . 4.440 4.089 3.502 4.482 0.042 3 0 "[ . 1 . 2]" 1
148 1 10 LEU QB 1 11 GLY H . . 4.930 3.715 3.065 4.078 . 0 0 "[ . 1 . 2]" 1
149 1 10 LEU QB 1 42 TYR HA . . 5.500 4.799 4.228 5.166 . 0 0 "[ . 1 . 2]" 1
150 1 10 LEU QB 1 42 TYR QD . . 5.150 3.737 3.180 4.191 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU QB 1 42 TYR QE . . 4.100 2.800 2.184 3.936 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU QD 1 11 GLY H . . 4.210 2.596 1.866 3.881 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU QD 1 40 GLN HA . . 5.030 4.391 4.158 4.732 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU QD 1 40 GLN HB2 . . 3.790 2.859 2.167 3.465 . 0 0 "[ . 1 . 2]" 1
155 1 10 LEU QD 1 40 GLN HB3 . . 3.810 2.328 2.079 2.814 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU QD 1 40 GLN HE21 . . 4.860 2.898 1.834 4.533 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU QD 1 40 GLN HE22 . . 4.300 2.904 1.743 4.203 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU QD 1 40 GLN QG . . 5.280 3.028 2.092 3.711 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU QD 1 41 VAL H . . 5.300 3.596 2.914 4.307 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU QD 1 41 VAL QG . . 5.500 4.369 3.811 4.855 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU QD 1 42 TYR HA . . 4.260 3.636 2.654 4.256 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU QD 1 42 TYR QD . . 4.490 3.178 2.139 3.543 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU QD 1 42 TYR QE . . 3.850 2.669 2.078 3.199 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU HG 1 11 GLY H . . 4.840 3.797 2.417 4.928 0.088 14 0 "[ . 1 . 2]" 1
165 1 10 LEU HG 1 40 GLN HE21 . . 4.480 3.577 2.333 4.572 0.092 1 0 "[ . 1 . 2]" 1
166 1 10 LEU HG 1 40 GLN HE22 . . 4.230 3.897 2.668 4.571 0.341 17 0 "[ . 1 . 2]" 1
167 1 11 GLY H 1 12 SER H . . 4.590 4.330 3.539 4.662 0.072 4 0 "[ . 1 . 2]" 1
168 1 11 GLY H 1 41 VAL H . . 4.670 3.145 2.572 3.870 . 0 0 "[ . 1 . 2]" 1
169 1 11 GLY H 1 42 TYR HA . . 4.580 3.201 2.341 3.898 . 0 0 "[ . 1 . 2]" 1
170 1 11 GLY H 1 43 TYR QD . . 5.310 3.682 2.249 4.993 . 0 0 "[ . 1 . 2]" 1
171 1 11 GLY H 1 43 TYR QE . . 4.410 3.681 2.196 4.510 0.100 1 0 "[ . 1 . 2]" 1
172 1 11 GLY HA2 1 12 SER H . . 3.280 2.851 2.134 3.577 0.297 9 0 "[ . 1 . 2]" 1
173 1 11 GLY HA2 1 41 VAL QG . . 5.480 3.345 2.092 4.991 . 0 0 "[ . 1 . 2]" 1
174 1 11 GLY HA2 1 43 TYR QE . . 3.680 2.239 1.912 3.737 0.057 20 0 "[ . 1 . 2]" 1
175 1 11 GLY HA3 1 41 VAL H . . 4.900 2.487 1.750 4.977 0.077 20 0 "[ . 1 . 2]" 1
176 1 11 GLY HA3 1 43 TYR QE . . 3.520 3.466 2.121 3.771 0.251 18 0 "[ . 1 . 2]" 1
177 1 12 SER H 1 12 SER HA . . 2.860 2.802 2.201 2.945 0.085 8 0 "[ . 1 . 2]" 1
178 1 12 SER H 1 12 SER QB . . 3.220 2.337 1.938 2.917 . 0 0 "[ . 1 . 2]" 1
179 1 12 SER H 1 13 ALA H . . 4.400 2.655 1.932 4.445 0.045 3 0 "[ . 1 . 2]" 1
180 1 12 SER H 1 40 GLN HE21 . . 5.500 4.108 2.837 4.938 . 0 0 "[ . 1 . 2]" 1
181 1 12 SER H 1 41 VAL H . . 4.470 4.115 3.422 4.557 0.087 3 0 "[ . 1 . 2]" 1
182 1 12 SER H 1 97 GLN HE21 . . 4.520 4.137 2.553 5.505 0.985 10 3 "[- . + *. 2]" 1
183 1 12 SER H 1 97 GLN HE22 . . 5.430 3.608 2.119 5.517 0.087 13 0 "[ . 1 . 2]" 1
184 1 12 SER HA 1 13 ALA MB . . 4.730 4.088 3.421 4.329 . 0 0 "[ . 1 . 2]" 1
185 1 12 SER HA 1 40 GLN HE21 . . 4.180 3.909 3.387 4.273 0.093 20 0 "[ . 1 . 2]" 1
186 1 12 SER HA 1 40 GLN QG . . 4.610 4.231 3.769 4.584 . 0 0 "[ . 1 . 2]" 1
187 1 12 SER QB 1 13 ALA H . . 3.360 2.298 1.599 2.940 . 0 0 "[ . 1 . 2]" 1
188 1 12 SER QB 1 13 ALA MB . . 4.810 3.792 3.262 4.427 . 0 0 "[ . 1 . 2]" 1
189 1 12 SER QB 1 14 MET ME . . 4.070 3.569 2.160 3.999 . 0 0 "[ . 1 . 2]" 1
190 1 12 SER QB 1 14 MET QG . . 5.000 3.937 3.324 4.659 . 0 0 "[ . 1 . 2]" 1
191 1 12 SER QB 1 43 TYR QE . . 4.980 4.629 3.661 4.929 . 0 0 "[ . 1 . 2]" 1
192 1 13 ALA H 1 13 ALA HA . . 2.530 2.495 2.182 2.624 0.094 14 0 "[ . 1 . 2]" 1
193 1 13 ALA H 1 13 ALA MB . . 2.980 3.046 2.831 3.102 0.122 7 0 "[ . 1 . 2]" 1
194 1 13 ALA H 1 14 MET QB . . 4.630 4.285 3.272 4.554 . 0 0 "[ . 1 . 2]" 1
195 1 13 ALA H 1 40 GLN HE21 . . 4.560 4.127 2.316 4.821 0.261 9 0 "[ . 1 . 2]" 1
196 1 13 ALA H 1 40 GLN HE22 . . 5.240 5.012 3.891 5.327 0.087 19 0 "[ . 1 . 2]" 1
197 1 13 ALA H 1 40 GLN QG . . 4.370 2.722 1.655 3.368 . 0 0 "[ . 1 . 2]" 1
198 1 13 ALA H 1 41 VAL H . . 5.280 5.021 4.094 5.371 0.091 7 0 "[ . 1 . 2]" 1
199 1 13 ALA HA 1 14 MET H . . 2.800 2.337 2.131 2.862 0.062 3 0 "[ . 1 . 2]" 1
200 1 13 ALA HA 1 39 ASN HD22 . . 5.490 3.615 2.655 5.353 . 0 0 "[ . 1 . 2]" 1
201 1 13 ALA HA 1 40 GLN H . . 5.500 5.302 4.556 5.580 0.080 3 0 "[ . 1 . 2]" 1
202 1 13 ALA HA 1 40 GLN HA . . 4.190 3.760 2.552 4.256 0.066 13 0 "[ . 1 . 2]" 1
203 1 13 ALA HA 1 40 GLN HB3 . . 5.500 4.918 4.547 5.379 . 0 0 "[ . 1 . 2]" 1
204 1 13 ALA HA 1 40 GLN HE22 . . 4.230 4.253 3.534 4.961 0.731 9 1 "[ . +1 . 2]" 1
205 1 13 ALA HA 1 40 GLN QG . . 3.340 2.250 1.954 2.832 . 0 0 "[ . 1 . 2]" 1
206 1 13 ALA MB 1 14 MET H . . 3.820 3.488 3.092 3.776 . 0 0 "[ . 1 . 2]" 1
207 1 13 ALA MB 1 14 MET HA . . 4.360 4.195 3.766 4.425 0.065 20 0 "[ . 1 . 2]" 1
208 1 13 ALA MB 1 14 MET QB . . 5.500 4.969 4.589 5.180 . 0 0 "[ . 1 . 2]" 1
209 1 13 ALA MB 1 39 ASN HD21 . . 4.480 3.192 2.006 4.380 . 0 0 "[ . 1 . 2]" 1
210 1 13 ALA MB 1 39 ASN HD22 . . 4.300 3.576 2.518 4.543 0.243 20 0 "[ . 1 . 2]" 1
211 1 13 ALA MB 1 40 GLN HA . . 5.380 5.083 3.934 5.484 0.104 13 0 "[ . 1 . 2]" 1
212 1 13 ALA MB 1 40 GLN HE21 . . 5.500 3.529 2.281 4.660 . 0 0 "[ . 1 . 2]" 1
213 1 13 ALA MB 1 40 GLN HE22 . . 5.500 3.491 2.397 5.324 . 0 0 "[ . 1 . 2]" 1
214 1 13 ALA MB 1 40 GLN QG . . 4.370 3.326 2.157 3.764 . 0 0 "[ . 1 . 2]" 1
215 1 14 MET H 1 14 MET QB . . 3.760 2.558 2.247 2.921 . 0 0 "[ . 1 . 2]" 1
216 1 14 MET H 1 14 MET QG . . 4.010 3.271 2.067 3.766 . 0 0 "[ . 1 . 2]" 1
217 1 14 MET H 1 15 SER H . . 4.780 4.321 4.177 4.535 . 0 0 "[ . 1 . 2]" 1
218 1 14 MET H 1 15 SER HA . . 5.440 4.899 4.423 5.452 0.012 16 0 "[ . 1 . 2]" 1
219 1 14 MET H 1 39 ASN QB . . 4.200 3.678 2.898 4.127 . 0 0 "[ . 1 . 2]" 1
220 1 14 MET H 1 39 ASN HD21 . . 4.990 3.611 2.921 4.787 . 0 0 "[ . 1 . 2]" 1
221 1 14 MET H 1 39 ASN HD22 . . 5.450 4.583 2.915 5.522 0.072 18 0 "[ . 1 . 2]" 1
222 1 14 MET H 1 40 GLN HA . . 4.650 3.492 2.978 4.382 . 0 0 "[ . 1 . 2]" 1
223 1 14 MET H 1 40 GLN QG . . 4.780 3.262 2.344 4.250 . 0 0 "[ . 1 . 2]" 1
224 1 14 MET HA 1 14 MET ME . . 4.170 4.270 4.192 4.297 0.127 20 0 "[ . 1 . 2]" 1
225 1 14 MET HA 1 14 MET QG . . 3.730 2.366 2.074 3.376 . 0 0 "[ . 1 . 2]" 1
226 1 14 MET HA 1 15 SER HA . . 4.940 4.499 4.310 4.674 . 0 0 "[ . 1 . 2]" 1
227 1 14 MET HA 1 15 SER QB . . 4.980 4.014 3.367 4.379 . 0 0 "[ . 1 . 2]" 1
228 1 14 MET QB 1 15 SER H . . 3.390 2.069 1.915 2.311 . 0 0 "[ . 1 . 2]" 1
229 1 14 MET QB 1 15 SER QB . . 5.010 4.069 3.752 4.262 . 0 0 "[ . 1 . 2]" 1
230 1 14 MET ME 1 14 MET QG . . 3.150 2.208 2.071 2.374 . 0 0 "[ . 1 . 2]" 1
231 1 14 MET ME 1 15 SER H . . 5.500 5.080 4.286 5.337 . 0 0 "[ . 1 . 2]" 1
232 1 14 MET ME 1 40 GLN HA . . 3.770 3.743 3.419 3.885 0.115 3 0 "[ . 1 . 2]" 1
233 1 14 MET ME 1 41 VAL QG . . 3.870 2.491 2.071 2.926 . 0 0 "[ . 1 . 2]" 1
234 1 14 MET ME 1 93 MET HA . . 3.530 2.722 2.399 3.023 . 0 0 "[ . 1 . 2]" 1
235 1 14 MET ME 1 93 MET QG . . 4.320 3.085 2.273 3.825 . 0 0 "[ . 1 . 2]" 1
236 1 14 MET ME 1 94 CYS H . . 4.240 4.297 3.945 4.344 0.104 13 0 "[ . 1 . 2]" 1
237 1 14 MET ME 1 94 CYS HA . . 3.830 3.826 3.172 3.942 0.112 18 0 "[ . 1 . 2]" 1
238 1 14 MET ME 1 96 THR H . . 4.930 4.370 3.851 4.646 . 0 0 "[ . 1 . 2]" 1
239 1 14 MET ME 1 96 THR HA . . 5.500 5.358 4.650 5.606 0.106 20 0 "[ . 1 . 2]" 1
240 1 14 MET ME 1 96 THR HB . . 3.180 3.140 2.263 3.274 0.094 10 0 "[ . 1 . 2]" 1
241 1 14 MET ME 1 96 THR MG . . 3.590 3.323 2.048 3.700 0.110 20 0 "[ . 1 . 2]" 1
242 1 14 MET ME 1 97 GLN H . . 4.470 3.161 2.788 3.441 . 0 0 "[ . 1 . 2]" 1
243 1 14 MET ME 1 97 GLN HA . . 3.660 3.559 3.120 3.773 0.113 18 0 "[ . 1 . 2]" 1
244 1 14 MET QG 1 15 SER H . . 4.580 3.258 2.189 3.792 . 0 0 "[ . 1 . 2]" 1
245 1 14 MET QG 1 96 THR MG . . 5.300 3.906 2.921 4.701 . 0 0 "[ . 1 . 2]" 1
246 1 15 SER H 1 15 SER QB . . 2.990 2.435 2.087 2.776 . 0 0 "[ . 1 . 2]" 1
247 1 15 SER H 1 16 ARG H . . 4.520 4.318 3.658 4.587 0.067 20 0 "[ . 1 . 2]" 1
248 1 15 SER H 1 17 PRO HD3 . . 5.500 4.796 3.592 5.564 0.064 2 0 "[ . 1 . 2]" 1
249 1 15 SER HA 1 16 ARG H . . 2.760 2.412 2.101 2.793 0.033 9 0 "[ . 1 . 2]" 1
250 1 15 SER QB 1 16 ARG H . . 3.960 2.944 2.233 3.779 . 0 0 "[ . 1 . 2]" 1
251 1 16 ARG H 1 16 ARG QB . . 3.460 2.481 2.199 2.726 . 0 0 "[ . 1 . 2]" 1
252 1 16 ARG H 1 16 ARG HD2 . . 5.360 4.256 2.220 5.424 0.064 11 0 "[ . 1 . 2]" 1
253 1 16 ARG H 1 16 ARG HD3 . . 4.890 3.775 1.935 4.824 . 0 0 "[ . 1 . 2]" 1
254 1 16 ARG H 1 16 ARG HE . . 5.460 3.809 2.307 5.509 0.049 6 0 "[ . 1 . 2]" 1
255 1 16 ARG H 1 17 PRO HD2 . . 5.080 4.861 3.691 5.158 0.078 9 0 "[ . 1 . 2]" 1
256 1 16 ARG H 1 17 PRO HD3 . . 5.250 4.493 3.121 4.885 . 0 0 "[ . 1 . 2]" 1
257 1 16 ARG HA 1 16 ARG HD3 . . 4.860 4.408 2.928 4.772 . 0 0 "[ . 1 . 2]" 1
258 1 16 ARG HA 1 17 PRO HD2 . . 3.610 2.268 1.990 2.554 . 0 0 "[ . 1 . 2]" 1
259 1 16 ARG HA 1 17 PRO HD3 . . 3.730 2.507 2.123 3.084 . 0 0 "[ . 1 . 2]" 1
260 1 16 ARG HA 1 17 PRO HG3 . . 4.890 4.550 4.323 4.742 . 0 0 "[ . 1 . 2]" 1
261 1 16 ARG HA 1 89 VAL QG . . 4.430 3.710 3.256 3.991 . 0 0 "[ . 1 . 2]" 1
262 1 16 ARG HA 1 93 MET ME . . 3.790 3.734 3.039 3.898 0.108 16 0 "[ . 1 . 2]" 1
263 1 16 ARG HD2 1 34 MET QB . . 5.400 4.056 2.395 5.196 . 0 0 "[ . 1 . 2]" 1
264 1 16 ARG HD2 1 34 MET ME . . 4.140 3.439 2.353 4.231 0.091 18 0 "[ . 1 . 2]" 1
265 1 16 ARG HD3 1 34 MET ME . . 4.110 3.832 2.835 4.207 0.097 20 0 "[ . 1 . 2]" 1
266 1 16 ARG HD3 1 34 MET HG3 . . 4.260 3.252 2.211 4.307 0.047 13 0 "[ . 1 . 2]" 1
267 1 16 ARG QG 1 34 MET ME . . 3.100 2.794 2.057 3.213 0.113 5 0 "[ . 1 . 2]" 1
268 1 17 PRO HA 1 18 MET H . . 2.890 2.550 2.267 2.825 . 0 0 "[ . 1 . 2]" 1
269 1 17 PRO HA 1 18 MET HA . . 4.860 4.554 4.317 4.621 . 0 0 "[ . 1 . 2]" 1
270 1 17 PRO HA 1 19 ILE MD . . 5.200 5.131 4.636 5.312 0.112 10 0 "[ . 1 . 2]" 1
271 1 17 PRO HB2 1 18 MET H . . 4.070 2.730 2.207 3.460 . 0 0 "[ . 1 . 2]" 1
272 1 17 PRO HB2 1 19 ILE MD . . 3.570 2.903 2.276 3.330 . 0 0 "[ . 1 . 2]" 1
273 1 17 PRO HB2 1 19 ILE QG . . 4.430 3.757 2.451 4.364 . 0 0 "[ . 1 . 2]" 1
274 1 17 PRO HB3 1 18 MET H . . 4.210 3.318 2.454 3.880 . 0 0 "[ . 1 . 2]" 1
275 1 17 PRO HB3 1 19 ILE MD . . 4.810 4.000 3.216 4.512 . 0 0 "[ . 1 . 2]" 1
276 1 17 PRO HD2 1 89 VAL QG . . 4.330 2.392 2.034 2.874 . 0 0 "[ . 1 . 2]" 1
277 1 17 PRO HD2 1 93 MET ME . . 5.500 3.432 2.543 4.338 . 0 0 "[ . 1 . 2]" 1
278 1 17 PRO HD3 1 89 VAL QG . . 3.720 3.211 2.819 3.944 0.224 8 0 "[ . 1 . 2]" 1
279 1 17 PRO HD3 1 93 MET QG . . 5.220 3.162 2.142 3.664 . 0 0 "[ . 1 . 2]" 1
280 1 17 PRO HG2 1 19 ILE MD . . 3.870 2.596 2.098 3.418 . 0 0 "[ . 1 . 2]" 1
281 1 17 PRO HG2 1 19 ILE QG . . 4.980 3.553 2.746 4.338 . 0 0 "[ . 1 . 2]" 1
282 1 17 PRO HG2 1 89 VAL QG . . 3.970 2.269 2.040 2.753 . 0 0 "[ . 1 . 2]" 1
283 1 17 PRO HG3 1 93 MET QG . . 4.290 2.607 2.041 3.507 . 0 0 "[ . 1 . 2]" 1
284 1 18 MET H 1 18 MET QB . . 3.250 2.452 2.265 2.776 . 0 0 "[ . 1 . 2]" 1
285 1 18 MET H 1 18 MET QG . . 4.570 3.745 2.374 4.284 . 0 0 "[ . 1 . 2]" 1
286 1 18 MET H 1 19 ILE H . . 4.710 4.199 3.166 4.474 . 0 0 "[ . 1 . 2]" 1
287 1 18 MET H 1 30 TYR QE . . 5.480 4.698 4.328 4.983 . 0 0 "[ . 1 . 2]" 1
288 1 18 MET HA 1 18 MET ME . . 3.460 2.142 1.959 3.121 . 0 0 "[ . 1 . 2]" 1
289 1 18 MET HA 1 19 ILE H . . 3.110 2.315 2.122 2.575 . 0 0 "[ . 1 . 2]" 1
290 1 18 MET HA 1 30 TYR QD . . 4.710 4.120 3.489 4.396 . 0 0 "[ . 1 . 2]" 1
291 1 18 MET HA 1 30 TYR QE . . 3.280 2.290 2.025 2.597 . 0 0 "[ . 1 . 2]" 1
292 1 18 MET HA 1 34 MET ME . . 3.850 3.816 3.415 3.957 0.107 20 0 "[ . 1 . 2]" 1
293 1 18 MET QB 1 19 ILE H . . 4.420 3.468 2.633 4.063 . 0 0 "[ . 1 . 2]" 1
294 1 18 MET QB 1 30 TYR QE . . 4.580 4.362 3.922 4.665 0.085 5 0 "[ . 1 . 2]" 1
295 1 18 MET ME 1 21 PHE QE . . 5.430 4.800 4.001 5.516 0.086 9 0 "[ . 1 . 2]" 1
296 1 18 MET ME 1 30 TYR QD . . 4.340 2.986 2.231 3.692 . 0 0 "[ . 1 . 2]" 1
297 1 18 MET ME 1 30 TYR QE . . 4.070 2.524 2.109 4.155 0.085 10 0 "[ . 1 . 2]" 1
298 1 18 MET ME 1 31 ARG H . . 5.500 4.459 3.918 4.851 . 0 0 "[ . 1 . 2]" 1
299 1 18 MET ME 1 31 ARG HA . . 3.910 3.760 2.965 4.014 0.104 5 0 "[ . 1 . 2]" 1
300 1 18 MET ME 1 31 ARG HD2 . . 4.420 3.046 2.042 3.876 . 0 0 "[ . 1 . 2]" 1
301 1 18 MET ME 1 31 ARG HD3 . . 4.320 3.897 3.415 4.356 0.036 2 0 "[ . 1 . 2]" 1
302 1 18 MET ME 1 31 ARG HG2 . . 3.730 2.305 2.037 2.917 . 0 0 "[ . 1 . 2]" 1
303 1 18 MET ME 1 31 ARG HG3 . . 2.400 2.407 2.216 2.504 0.104 3 0 "[ . 1 . 2]" 1
304 1 18 MET ME 1 34 MET ME . . 3.630 2.476 1.934 3.742 0.112 5 0 "[ . 1 . 2]" 1
305 1 18 MET QG 1 19 ILE H . . 5.050 3.473 1.720 4.671 . 0 0 "[ . 1 . 2]" 1
306 1 18 MET QG 1 30 TYR QE . . 4.530 4.056 2.921 4.448 . 0 0 "[ . 1 . 2]" 1
307 1 19 ILE H 1 19 ILE HB . . 3.470 2.672 2.431 2.955 . 0 0 "[ . 1 . 2]" 1
308 1 19 ILE H 1 19 ILE MD . . 5.110 3.552 2.981 4.126 . 0 0 "[ . 1 . 2]" 1
309 1 19 ILE H 1 19 ILE QG . . 4.140 2.504 1.806 3.147 . 0 0 "[ . 1 . 2]" 1
310 1 19 ILE H 1 19 ILE MG . . 4.790 3.874 3.755 4.053 . 0 0 "[ . 1 . 2]" 1
311 1 19 ILE H 1 20 HIS H . . 5.010 4.445 4.044 4.667 . 0 0 "[ . 1 . 2]" 1
312 1 19 ILE H 1 21 PHE QE . . 5.360 4.330 3.927 4.747 . 0 0 "[ . 1 . 2]" 1
313 1 19 ILE H 1 30 TYR QD . . 4.500 3.468 2.919 3.866 . 0 0 "[ . 1 . 2]" 1
314 1 19 ILE H 1 30 TYR QE . . 3.680 2.495 2.007 3.633 . 0 0 "[ . 1 . 2]" 1
315 1 19 ILE HA 1 19 ILE MD . . 3.790 2.309 2.148 3.849 0.059 17 0 "[ . 1 . 2]" 1
316 1 19 ILE HA 1 19 ILE MG . . 3.220 2.403 2.285 2.523 . 0 0 "[ . 1 . 2]" 1
317 1 19 ILE HA 1 20 HIS H . . 2.720 2.391 2.109 2.556 . 0 0 "[ . 1 . 2]" 1
318 1 19 ILE HA 1 20 HIS HA . . 4.720 4.511 4.417 4.614 . 0 0 "[ . 1 . 2]" 1
319 1 19 ILE HB 1 20 HIS H . . 4.110 3.674 3.334 4.171 0.061 10 0 "[ . 1 . 2]" 1
320 1 19 ILE HB 1 21 PHE QE . . 3.450 2.732 2.450 2.972 . 0 0 "[ . 1 . 2]" 1
321 1 19 ILE HB 1 21 PHE HZ . . 4.870 3.331 2.995 3.729 . 0 0 "[ . 1 . 2]" 1
322 1 19 ILE HB 1 30 TYR QE . . 4.770 3.774 3.346 4.053 . 0 0 "[ . 1 . 2]" 1
323 1 19 ILE MD 1 19 ILE MG . . 3.210 2.146 2.041 2.247 . 0 0 "[ . 1 . 2]" 1
324 1 19 ILE MD 1 20 HIS H . . 5.000 3.974 3.496 5.097 0.097 17 0 "[ . 1 . 2]" 1
325 1 19 ILE MD 1 21 PHE QD . . 5.500 5.061 4.244 5.241 . 0 0 "[ . 1 . 2]" 1
326 1 19 ILE MD 1 21 PHE QE . . 4.380 4.071 2.832 4.248 . 0 0 "[ . 1 . 2]" 1
327 1 19 ILE MD 1 21 PHE HZ . . 4.220 4.040 2.214 4.307 0.087 9 0 "[ . 1 . 2]" 1
328 1 19 ILE MD 1 30 TYR QD . . 5.170 4.978 3.635 5.269 0.099 19 0 "[ . 1 . 2]" 1
329 1 19 ILE MD 1 30 TYR QE . . 4.550 4.010 2.798 4.357 . 0 0 "[ . 1 . 2]" 1
330 1 19 ILE MD 1 88 ARG HA . . 4.590 3.890 3.649 4.090 . 0 0 "[ . 1 . 2]" 1
331 1 19 ILE MD 1 88 ARG HB2 . . 3.750 2.738 2.099 2.924 . 0 0 "[ . 1 . 2]" 1
332 1 19 ILE MD 1 88 ARG HB3 . . 5.050 2.310 2.094 3.662 . 0 0 "[ . 1 . 2]" 1
333 1 19 ILE MD 1 88 ARG HD3 . . 4.720 4.786 4.119 4.840 0.120 6 0 "[ . 1 . 2]" 1
334 1 19 ILE MD 1 88 ARG HG2 . . 4.650 3.976 2.992 4.244 . 0 0 "[ . 1 . 2]" 1
335 1 19 ILE MD 1 88 ARG HG3 . . 4.700 4.450 3.382 4.761 0.061 19 0 "[ . 1 . 2]" 1
336 1 19 ILE MD 1 89 VAL H . . 4.720 3.165 2.542 3.422 . 0 0 "[ . 1 . 2]" 1
337 1 19 ILE MD 1 89 VAL HA . . 3.320 1.954 1.896 2.085 . 0 0 "[ . 1 . 2]" 1
338 1 19 ILE MD 1 89 VAL HB . . 4.470 3.827 3.356 4.166 . 0 0 "[ . 1 . 2]" 1
339 1 19 ILE MD 1 89 VAL QG . . 3.630 2.155 1.815 2.487 . 0 0 "[ . 1 . 2]" 1
340 1 19 ILE MD 1 92 GLN H . . 5.500 3.927 3.500 4.304 . 0 0 "[ . 1 . 2]" 1
341 1 19 ILE MD 1 92 GLN HB2 . . 3.810 3.085 2.486 3.915 0.105 15 0 "[ . 1 . 2]" 1
342 1 19 ILE MD 1 92 GLN HE21 . . 5.010 2.832 1.948 3.653 . 0 0 "[ . 1 . 2]" 1
343 1 19 ILE MD 1 92 GLN HE22 . . 4.960 2.324 1.751 5.104 0.144 17 0 "[ . 1 . 2]" 1
344 1 19 ILE MD 1 92 GLN HG2 . . 4.230 4.069 2.319 4.352 0.122 15 0 "[ . 1 . 2]" 1
345 1 19 ILE MD 1 92 GLN HG3 . . 4.210 3.986 3.474 4.268 0.058 17 0 "[ . 1 . 2]" 1
346 1 19 ILE MD 1 93 MET H . . 5.500 5.000 4.662 5.453 . 0 0 "[ . 1 . 2]" 1
347 1 19 ILE QG 1 21 PHE HZ . . 4.560 2.648 2.384 4.167 . 0 0 "[ . 1 . 2]" 1
348 1 19 ILE QG 1 30 TYR QE . . 4.700 2.755 2.199 3.303 . 0 0 "[ . 1 . 2]" 1
349 1 19 ILE QG 1 88 ARG HB2 . . 4.980 3.122 2.404 3.773 . 0 0 "[ . 1 . 2]" 1
350 1 19 ILE QG 1 89 VAL QG . . 3.270 2.060 1.928 3.119 . 0 0 "[ . 1 . 2]" 1
351 1 19 ILE QG 1 92 GLN HE22 . . 4.660 4.032 3.420 5.486 0.826 2 2 "[ + . 1 . -2]" 1
352 1 19 ILE MG 1 20 HIS H . . 3.630 2.226 1.859 2.931 . 0 0 "[ . 1 . 2]" 1
353 1 19 ILE MG 1 20 HIS HA . . 4.550 3.862 3.643 4.049 . 0 0 "[ . 1 . 2]" 1
354 1 19 ILE MG 1 20 HIS HB2 . . 5.270 4.345 4.042 4.651 . 0 0 "[ . 1 . 2]" 1
355 1 19 ILE MG 1 20 HIS HB3 . . 5.200 4.807 4.270 5.232 0.032 17 0 "[ . 1 . 2]" 1
356 1 19 ILE MG 1 21 PHE H . . 5.400 2.836 2.432 3.299 . 0 0 "[ . 1 . 2]" 1
357 1 19 ILE MG 1 21 PHE HA . . 4.760 3.081 2.800 3.516 . 0 0 "[ . 1 . 2]" 1
358 1 19 ILE MG 1 21 PHE HB3 . . 5.480 4.297 4.153 4.471 . 0 0 "[ . 1 . 2]" 1
359 1 19 ILE MG 1 21 PHE QD . . 4.560 2.932 2.865 3.053 . 0 0 "[ . 1 . 2]" 1
360 1 19 ILE MG 1 21 PHE QE . . 3.900 2.698 2.523 2.899 . 0 0 "[ . 1 . 2]" 1
361 1 19 ILE MG 1 21 PHE HZ . . 4.220 3.219 2.821 3.743 . 0 0 "[ . 1 . 2]" 1
362 1 19 ILE MG 1 30 TYR QD . . 5.430 4.840 4.284 5.079 . 0 0 "[ . 1 . 2]" 1
363 1 19 ILE MG 1 30 TYR QE . . 4.930 4.909 4.628 5.050 0.120 8 0 "[ . 1 . 2]" 1
364 1 19 ILE MG 1 88 ARG HA . . 4.890 4.320 4.176 4.637 . 0 0 "[ . 1 . 2]" 1
365 1 19 ILE MG 1 88 ARG HB2 . . 4.010 2.482 2.244 2.710 . 0 0 "[ . 1 . 2]" 1
366 1 19 ILE MG 1 88 ARG HB3 . . 4.420 2.278 2.150 3.359 . 0 0 "[ . 1 . 2]" 1
367 1 19 ILE MG 1 88 ARG HD2 . . 4.570 4.661 4.526 4.688 0.118 9 0 "[ . 1 . 2]" 1
368 1 19 ILE MG 1 88 ARG HD3 . . 4.480 3.802 3.641 4.553 0.073 6 0 "[ . 1 . 2]" 1
369 1 19 ILE MG 1 88 ARG HE . . 5.500 4.078 3.582 4.553 . 0 0 "[ . 1 . 2]" 1
370 1 19 ILE MG 1 88 ARG HG2 . . 4.040 2.468 2.276 2.839 . 0 0 "[ . 1 . 2]" 1
371 1 19 ILE MG 1 88 ARG HG3 . . 4.600 3.550 2.263 3.716 . 0 0 "[ . 1 . 2]" 1
372 1 19 ILE MG 1 89 VAL HA . . 5.430 4.540 4.257 4.901 . 0 0 "[ . 1 . 2]" 1
373 1 19 ILE MG 1 92 GLN HE21 . . 5.500 3.575 2.595 4.791 . 0 0 "[ . 1 . 2]" 1
374 1 19 ILE MG 1 92 GLN HE22 . . 5.200 2.537 1.862 4.458 . 0 0 "[ . 1 . 2]" 1
375 1 19 ILE MG 1 92 GLN HG3 . . 5.180 5.081 4.122 5.654 0.474 2 0 "[ . 1 . 2]" 1
376 1 20 HIS H 1 20 HIS HB2 . . 3.680 2.677 2.221 3.201 . 0 0 "[ . 1 . 2]" 1
377 1 20 HIS H 1 20 HIS HB3 . . 3.360 3.394 2.758 3.756 0.396 20 0 "[ . 1 . 2]" 1
378 1 20 HIS H 1 20 HIS HD2 . . 5.220 4.345 2.815 5.298 0.078 8 0 "[ . 1 . 2]" 1
379 1 20 HIS H 1 21 PHE H . . 4.870 3.441 2.938 4.002 . 0 0 "[ . 1 . 2]" 1
380 1 20 HIS HA 1 20 HIS HD2 . . 4.690 3.691 2.377 4.707 0.017 5 0 "[ . 1 . 2]" 1
381 1 20 HIS HA 1 21 PHE H . . 3.070 2.380 2.225 2.641 . 0 0 "[ . 1 . 2]" 1
382 1 20 HIS HA 1 21 PHE HA . . 4.730 4.599 4.517 4.736 0.006 15 0 "[ . 1 . 2]" 1
383 1 20 HIS HA 1 21 PHE QD . . 4.350 4.373 4.070 4.455 0.105 4 0 "[ . 1 . 2]" 1
384 1 20 HIS HA 1 22 GLY H . . 4.180 3.163 2.591 3.572 . 0 0 "[ . 1 . 2]" 1
385 1 20 HIS HB3 1 20 HIS HD2 . . 3.820 3.425 2.606 3.950 0.130 11 0 "[ . 1 . 2]" 1
386 1 20 HIS HB3 1 21 PHE H . . 4.490 4.372 4.106 4.545 0.055 6 0 "[ . 1 . 2]" 1
387 1 20 HIS HB3 1 22 GLY H . . 4.850 4.062 3.450 4.915 0.065 15 0 "[ . 1 . 2]" 1
388 1 21 PHE H 1 21 PHE HB2 . . 3.680 2.594 2.483 2.723 . 0 0 "[ . 1 . 2]" 1
389 1 21 PHE H 1 21 PHE HB3 . . 3.830 3.612 3.537 3.665 . 0 0 "[ . 1 . 2]" 1
390 1 21 PHE H 1 21 PHE QD . . 3.690 2.519 2.324 2.671 . 0 0 "[ . 1 . 2]" 1
391 1 21 PHE H 1 21 PHE QE . . 5.430 4.244 4.020 4.355 . 0 0 "[ . 1 . 2]" 1
392 1 21 PHE H 1 22 GLY H . . 3.440 2.665 2.187 3.012 . 0 0 "[ . 1 . 2]" 1
393 1 21 PHE H 1 22 GLY HA2 . . 5.340 4.952 4.393 5.359 0.019 13 0 "[ . 1 . 2]" 1
394 1 21 PHE H 1 23 ASN H . . 4.390 4.107 3.821 4.464 0.074 15 0 "[ . 1 . 2]" 1
395 1 21 PHE H 1 27 ASP HA . . 4.910 4.615 3.979 4.987 0.077 16 0 "[ . 1 . 2]" 1
396 1 21 PHE HA 1 21 PHE QD . . 3.670 2.772 2.578 3.014 . 0 0 "[ . 1 . 2]" 1
397 1 21 PHE HA 1 21 PHE QE . . 5.100 4.741 4.604 4.963 . 0 0 "[ . 1 . 2]" 1
398 1 21 PHE HA 1 22 GLY H . . 3.600 3.472 3.347 3.556 . 0 0 "[ . 1 . 2]" 1
399 1 21 PHE HA 1 23 ASN H . . 4.600 4.364 4.077 4.674 0.074 2 0 "[ . 1 . 2]" 1
400 1 21 PHE HB2 1 22 GLY H . . 4.140 3.157 2.712 3.388 . 0 0 "[ . 1 . 2]" 1
401 1 21 PHE HB2 1 23 ASN H . . 3.760 2.572 2.460 2.753 . 0 0 "[ . 1 . 2]" 1
402 1 21 PHE HB2 1 26 GLU HA . . 5.030 5.019 4.753 5.112 0.082 20 0 "[ . 1 . 2]" 1
403 1 21 PHE HB2 1 26 GLU HB2 . . 4.380 2.404 2.266 2.604 . 0 0 "[ . 1 . 2]" 1
404 1 21 PHE HB2 1 26 GLU HB3 . . 4.460 2.805 2.448 3.056 . 0 0 "[ . 1 . 2]" 1
405 1 21 PHE HB3 1 22 GLY H . . 4.200 4.101 3.885 4.245 0.045 19 0 "[ . 1 . 2]" 1
406 1 21 PHE HB3 1 23 ASN H . . 4.000 3.428 3.099 3.851 . 0 0 "[ . 1 . 2]" 1
407 1 21 PHE HB3 1 26 GLU H . . 5.370 5.372 5.144 5.441 0.071 8 0 "[ . 1 . 2]" 1
408 1 21 PHE HB3 1 26 GLU HB2 . . 4.480 3.101 2.926 3.239 . 0 0 "[ . 1 . 2]" 1
409 1 21 PHE HB3 1 26 GLU HB3 . . 4.770 3.088 2.775 3.322 . 0 0 "[ . 1 . 2]" 1
410 1 21 PHE HB3 1 85 MET ME . . 5.440 4.280 3.722 4.578 . 0 0 "[ . 1 . 2]" 1
411 1 21 PHE QD 1 22 GLY H . . 4.440 4.307 3.713 4.527 0.087 13 0 "[ . 1 . 2]" 1
412 1 21 PHE QD 1 23 ASN H . . 4.300 4.387 4.303 4.408 0.108 1 0 "[ . 1 . 2]" 1
413 1 21 PHE QD 1 26 GLU HB2 . . 5.030 3.405 3.184 3.674 . 0 0 "[ . 1 . 2]" 1
414 1 21 PHE QD 1 26 GLU HB3 . . 4.530 2.938 2.803 3.264 . 0 0 "[ . 1 . 2]" 1
415 1 21 PHE QD 1 27 ASP H . . 4.670 3.594 3.174 3.930 . 0 0 "[ . 1 . 2]" 1
416 1 21 PHE QD 1 27 ASP HA . . 3.610 2.827 2.202 3.253 . 0 0 "[ . 1 . 2]" 1
417 1 21 PHE QD 1 85 MET ME . . 4.720 3.563 3.163 3.834 . 0 0 "[ . 1 . 2]" 1
418 1 21 PHE QD 1 88 ARG HB2 . . 4.770 4.229 3.937 4.838 0.068 6 0 "[ . 1 . 2]" 1
419 1 21 PHE QD 1 88 ARG HB3 . . 4.550 4.668 4.570 4.853 0.303 4 0 "[ . 1 . 2]" 1
420 1 21 PHE QD 1 88 ARG HD2 . . 4.990 4.587 4.231 4.947 . 0 0 "[ . 1 . 2]" 1
421 1 21 PHE QD 1 88 ARG HD3 . . 5.030 3.555 3.131 4.372 . 0 0 "[ . 1 . 2]" 1
422 1 21 PHE QD 1 88 ARG HG2 . . 4.640 2.890 2.533 3.870 . 0 0 "[ . 1 . 2]" 1
423 1 21 PHE QD 1 88 ARG HG3 . . 4.680 4.327 2.824 4.685 0.005 4 0 "[ . 1 . 2]" 1
424 1 21 PHE QE 1 27 ASP HA . . 4.800 3.503 3.004 4.063 . 0 0 "[ . 1 . 2]" 1
425 1 21 PHE QE 1 30 TYR HB2 . . 4.720 2.368 2.249 2.556 . 0 0 "[ . 1 . 2]" 1
426 1 21 PHE QE 1 30 TYR HB3 . . 4.670 2.514 2.318 2.734 . 0 0 "[ . 1 . 2]" 1
427 1 21 PHE QE 1 30 TYR QD . . 4.070 2.432 2.174 2.664 . 0 0 "[ . 1 . 2]" 1
428 1 21 PHE QE 1 31 ARG H . . 4.970 4.945 4.639 5.056 0.086 16 0 "[ . 1 . 2]" 1
429 1 21 PHE QE 1 85 MET H . . 5.420 5.074 4.856 5.231 . 0 0 "[ . 1 . 2]" 1
430 1 21 PHE QE 1 85 MET HA . . 4.450 2.302 2.091 2.525 . 0 0 "[ . 1 . 2]" 1
431 1 21 PHE QE 1 85 MET HG2 . . 4.020 3.243 2.861 3.739 . 0 0 "[ . 1 . 2]" 1
432 1 21 PHE QE 1 88 ARG H . . 5.500 3.846 3.482 4.335 . 0 0 "[ . 1 . 2]" 1
433 1 21 PHE QE 1 88 ARG HB2 . . 5.020 2.550 2.199 4.188 . 0 0 "[ . 1 . 2]" 1
434 1 21 PHE QE 1 88 ARG HB3 . . 5.160 3.757 3.390 4.512 . 0 0 "[ . 1 . 2]" 1
435 1 21 PHE QE 1 88 ARG HD2 . . 4.660 3.805 3.663 3.929 . 0 0 "[ . 1 . 2]" 1
436 1 21 PHE QE 1 88 ARG HD3 . . 4.540 2.177 2.053 3.033 . 0 0 "[ . 1 . 2]" 1
437 1 21 PHE QE 1 88 ARG HE . . 4.030 3.036 1.997 4.032 0.002 5 0 "[ . 1 . 2]" 1
438 1 21 PHE QE 1 88 ARG HG2 . . 4.700 2.843 2.246 3.230 . 0 0 "[ . 1 . 2]" 1
439 1 21 PHE QE 1 88 ARG HG3 . . 4.680 4.122 2.613 4.447 . 0 0 "[ . 1 . 2]" 1
440 1 21 PHE HZ 1 30 TYR HB3 . . 4.940 4.399 3.993 4.780 . 0 0 "[ . 1 . 2]" 1
441 1 21 PHE HZ 1 30 TYR QD . . 4.880 3.735 3.432 3.921 . 0 0 "[ . 1 . 2]" 1
442 1 21 PHE HZ 1 85 MET HA . . 4.330 3.613 3.245 4.276 . 0 0 "[ . 1 . 2]" 1
443 1 21 PHE HZ 1 85 MET HB2 . . 4.380 4.426 4.280 4.461 0.081 9 0 "[ . 1 . 2]" 1
444 1 21 PHE HZ 1 85 MET ME . . 4.170 3.786 3.279 4.267 0.097 10 0 "[ . 1 . 2]" 1
445 1 21 PHE HZ 1 85 MET HG2 . . 4.970 3.766 3.173 4.649 . 0 0 "[ . 1 . 2]" 1
446 1 21 PHE HZ 1 88 ARG HB2 . . 4.890 3.670 3.216 4.969 0.079 6 0 "[ . 1 . 2]" 1
447 1 21 PHE HZ 1 88 ARG HG2 . . 5.010 4.790 3.342 5.073 0.063 20 0 "[ . 1 . 2]" 1
448 1 21 PHE HZ 1 89 VAL HB . . 4.670 4.751 4.718 4.764 0.094 6 0 "[ . 1 . 2]" 1
449 1 21 PHE HZ 1 89 VAL QG . . 5.500 3.120 2.713 3.559 . 0 0 "[ . 1 . 2]" 1
450 1 22 GLY H 1 23 ASN H . . 3.010 2.627 2.381 2.928 . 0 0 "[ . 1 . 2]" 1
451 1 23 ASN H 1 23 ASN QB . . 3.460 2.480 2.185 2.705 . 0 0 "[ . 1 . 2]" 1
452 1 23 ASN H 1 23 ASN HD21 . . 5.290 4.725 4.092 5.257 . 0 0 "[ . 1 . 2]" 1
453 1 23 ASN H 1 24 ASP H . . 4.530 4.216 4.024 4.399 . 0 0 "[ . 1 . 2]" 1
454 1 23 ASN H 1 24 ASP HA . . 5.170 4.755 4.179 5.228 0.058 17 0 "[ . 1 . 2]" 1
455 1 23 ASN H 1 26 GLU HB2 . . 4.520 3.187 2.840 3.391 . 0 0 "[ . 1 . 2]" 1
456 1 23 ASN H 1 26 GLU HB3 . . 5.180 4.598 4.151 4.842 . 0 0 "[ . 1 . 2]" 1
457 1 23 ASN H 1 27 ASP H . . 4.620 4.067 3.355 4.555 . 0 0 "[ . 1 . 2]" 1
458 1 23 ASN HA 1 23 ASN HD22 . . 5.470 3.834 3.260 4.719 . 0 0 "[ . 1 . 2]" 1
459 1 23 ASN HA 1 24 ASP H . . 2.660 2.161 2.080 2.271 . 0 0 "[ . 1 . 2]" 1
460 1 23 ASN HA 1 24 ASP HA . . 4.810 4.390 4.199 4.516 . 0 0 "[ . 1 . 2]" 1
461 1 23 ASN HA 1 25 TRP H . . 4.410 4.071 3.752 4.459 0.049 10 0 "[ . 1 . 2]" 1
462 1 23 ASN QB 1 24 ASP H . . 3.360 3.380 3.078 3.440 0.080 14 0 "[ . 1 . 2]" 1
463 1 23 ASN QB 1 25 TRP HD1 . . 4.120 2.978 2.472 3.543 . 0 0 "[ . 1 . 2]" 1
464 1 23 ASN QB 1 26 GLU H . . 4.270 2.312 1.995 2.681 . 0 0 "[ . 1 . 2]" 1
465 1 23 ASN QB 1 26 GLU HB2 . . 4.180 2.305 2.092 2.715 . 0 0 "[ . 1 . 2]" 1
466 1 23 ASN QB 1 26 GLU HB3 . . 4.580 3.631 3.429 4.009 . 0 0 "[ . 1 . 2]" 1
467 1 23 ASN QB 1 26 GLU HG2 . . 4.930 3.563 3.437 3.819 . 0 0 "[ . 1 . 2]" 1
468 1 23 ASN HD21 1 26 GLU HB2 . . 5.500 4.911 3.740 5.579 0.079 15 0 "[ . 1 . 2]" 1
469 1 23 ASN HD22 1 25 TRP HD1 . . 4.870 4.006 2.467 5.601 0.731 13 1 "[ . 1 + . 2]" 1
470 1 24 ASP H 1 24 ASP QB . . 2.870 2.310 1.958 2.913 0.043 14 0 "[ . 1 . 2]" 1
471 1 24 ASP H 1 25 TRP H . . 3.470 2.783 2.424 3.028 . 0 0 "[ . 1 . 2]" 1
472 1 24 ASP H 1 25 TRP QB . . 5.400 4.883 4.565 5.127 . 0 0 "[ . 1 . 2]" 1
473 1 24 ASP H 1 27 ASP H . . 5.000 4.877 4.677 5.052 0.052 13 0 "[ . 1 . 2]" 1
474 1 24 ASP HA 1 24 ASP QB . . 2.780 2.402 2.240 2.575 . 0 0 "[ . 1 . 2]" 1
475 1 24 ASP HA 1 27 ASP H . . 3.970 3.607 3.028 4.027 0.057 6 0 "[ . 1 . 2]" 1
476 1 24 ASP HA 1 27 ASP QB . . 3.430 2.721 2.172 3.189 . 0 0 "[ . 1 . 2]" 1
477 1 24 ASP HA 1 28 ARG H . . 4.540 4.423 4.004 4.628 0.088 14 0 "[ . 1 . 2]" 1
478 1 24 ASP QB 1 25 TRP H . . 3.240 2.454 2.189 2.831 . 0 0 "[ . 1 . 2]" 1
479 1 24 ASP QB 1 25 TRP HA . . 4.670 3.891 3.510 4.450 . 0 0 "[ . 1 . 2]" 1
480 1 24 ASP QB 1 26 GLU H . . 4.460 4.542 4.482 4.562 0.102 8 0 "[ . 1 . 2]" 1
481 1 25 TRP H 1 25 TRP QB . . 2.870 2.417 2.308 2.574 . 0 0 "[ . 1 . 2]" 1
482 1 25 TRP H 1 25 TRP HD1 . . 3.840 2.768 2.305 3.162 . 0 0 "[ . 1 . 2]" 1
483 1 25 TRP H 1 26 GLU H . . 3.560 2.658 2.375 2.828 . 0 0 "[ . 1 . 2]" 1
484 1 25 TRP H 1 27 ASP H . . 4.830 4.235 3.931 4.490 . 0 0 "[ . 1 . 2]" 1
485 1 25 TRP H 1 27 ASP QB . . 5.090 4.859 4.535 5.030 . 0 0 "[ . 1 . 2]" 1
486 1 25 TRP HA 1 25 TRP HE3 . . 4.010 4.023 3.943 4.088 0.078 10 0 "[ . 1 . 2]" 1
487 1 25 TRP HA 1 28 ARG H . . 4.050 3.445 3.183 3.720 . 0 0 "[ . 1 . 2]" 1
488 1 25 TRP HA 1 28 ARG QB . . 3.590 2.811 2.298 3.525 . 0 0 "[ . 1 . 2]" 1
489 1 25 TRP HA 1 28 ARG QD . . 4.430 4.199 3.196 4.538 0.108 10 0 "[ . 1 . 2]" 1
490 1 25 TRP HA 1 28 ARG HG2 . . 5.000 3.240 2.576 4.758 . 0 0 "[ . 1 . 2]" 1
491 1 25 TRP QB 1 25 TRP HD1 . . 3.210 2.602 2.519 2.684 . 0 0 "[ . 1 . 2]" 1
492 1 25 TRP QB 1 25 TRP HE3 . . 3.390 2.746 2.597 2.865 . 0 0 "[ . 1 . 2]" 1
493 1 25 TRP QB 1 25 TRP HZ2 . . 5.500 5.591 5.582 5.599 0.099 1 0 "[ . 1 . 2]" 1
494 1 25 TRP HD1 1 26 GLU HG2 . . 5.210 5.287 5.274 5.296 0.086 1 0 "[ . 1 . 2]" 1
495 1 25 TRP HD1 1 26 GLU HG3 . . 4.940 4.036 3.875 4.417 . 0 0 "[ . 1 . 2]" 1
496 1 25 TRP HE3 1 26 GLU H . . 4.000 3.858 3.764 3.963 . 0 0 "[ . 1 . 2]" 1
497 1 25 TRP HE3 1 26 GLU HA . . 4.010 2.660 2.509 2.777 . 0 0 "[ . 1 . 2]" 1
498 1 25 TRP HE3 1 26 GLU HB2 . . 4.970 5.067 5.034 5.200 0.230 11 0 "[ . 1 . 2]" 1
499 1 25 TRP HE3 1 26 GLU HG2 . . 3.860 3.400 3.148 3.536 . 0 0 "[ . 1 . 2]" 1
500 1 25 TRP HE3 1 26 GLU HG3 . . 4.300 4.103 3.844 4.290 . 0 0 "[ . 1 . 2]" 1
501 1 25 TRP HE3 1 29 TYR H . . 5.190 3.766 3.213 4.196 . 0 0 "[ . 1 . 2]" 1
502 1 25 TRP HE3 1 29 TYR QD . . 4.780 4.035 3.550 4.285 . 0 0 "[ . 1 . 2]" 1
503 1 25 TRP HE3 1 81 THR MG . . 5.060 4.631 4.151 5.065 0.005 6 0 "[ . 1 . 2]" 1
504 1 25 TRP HH2 1 26 GLU HG3 . . 5.070 4.515 4.316 4.710 . 0 0 "[ . 1 . 2]" 1
505 1 25 TRP HH2 1 81 THR MG . . 4.710 2.143 1.990 2.292 . 0 0 "[ . 1 . 2]" 1
506 1 25 TRP HZ2 1 26 GLU HG2 . . 4.680 3.507 3.326 3.736 . 0 0 "[ . 1 . 2]" 1
507 1 25 TRP HZ2 1 26 GLU HG3 . . 5.100 3.614 3.381 3.856 . 0 0 "[ . 1 . 2]" 1
508 1 25 TRP HZ2 1 81 THR MG . . 4.090 4.070 3.697 4.181 0.091 19 0 "[ . 1 . 2]" 1
509 1 25 TRP HZ2 1 85 MET ME . . 4.810 4.844 4.525 4.909 0.099 2 0 "[ . 1 . 2]" 1
510 1 25 TRP HZ3 1 29 TYR QD . . 4.130 3.218 2.651 3.950 . 0 0 "[ . 1 . 2]" 1
511 1 25 TRP HZ3 1 81 THR MG . . 5.150 2.531 2.107 2.973 . 0 0 "[ . 1 . 2]" 1
512 1 25 TRP HZ3 1 85 MET ME . . 4.260 2.890 2.485 3.347 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLU H 1 26 GLU HB2 . . 3.500 2.344 2.214 2.460 . 0 0 "[ . 1 . 2]" 1
514 1 26 GLU H 1 26 GLU HB3 . . 3.700 3.597 3.522 3.683 . 0 0 "[ . 1 . 2]" 1
515 1 26 GLU H 1 26 GLU HG3 . . 4.640 2.671 2.453 2.977 . 0 0 "[ . 1 . 2]" 1
516 1 26 GLU H 1 27 ASP H . . 3.750 2.441 2.322 2.567 . 0 0 "[ . 1 . 2]" 1
517 1 26 GLU H 1 27 ASP QB . . 5.240 4.085 3.921 4.266 . 0 0 "[ . 1 . 2]" 1
518 1 26 GLU HA 1 26 GLU HG2 . . 4.050 2.342 2.183 2.471 . 0 0 "[ . 1 . 2]" 1
519 1 26 GLU HA 1 26 GLU HG3 . . 3.970 3.192 3.040 3.414 . 0 0 "[ . 1 . 2]" 1
520 1 26 GLU HA 1 28 ARG H . . 5.140 4.193 3.656 4.737 . 0 0 "[ . 1 . 2]" 1
521 1 26 GLU HA 1 29 TYR H . . 4.060 3.506 3.207 3.853 . 0 0 "[ . 1 . 2]" 1
522 1 26 GLU HA 1 29 TYR HB2 . . 3.960 3.661 3.407 4.006 0.046 18 0 "[ . 1 . 2]" 1
523 1 26 GLU HA 1 29 TYR HB3 . . 4.260 2.604 2.366 2.876 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLU HA 1 29 TYR QD . . 4.510 3.962 2.940 4.436 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLU HA 1 30 TYR H . . 4.690 3.563 3.331 3.901 . 0 0 "[ . 1 . 2]" 1
526 1 26 GLU HA 1 85 MET ME . . 3.470 2.065 1.945 2.336 . 0 0 "[ . 1 . 2]" 1
527 1 26 GLU HB2 1 27 ASP H . . 3.840 2.648 2.392 2.960 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLU HB3 1 27 ASP H . . 4.220 3.541 3.330 3.867 . 0 0 "[ . 1 . 2]" 1
529 1 26 GLU HB3 1 85 MET ME . . 3.040 2.133 1.871 2.278 . 0 0 "[ . 1 . 2]" 1
530 1 27 ASP H 1 27 ASP QB . . 3.300 2.134 1.971 2.342 . 0 0 "[ . 1 . 2]" 1
531 1 27 ASP HA 1 28 ARG HE . . 4.540 4.565 4.277 4.633 0.093 13 0 "[ . 1 . 2]" 1
532 1 27 ASP HA 1 30 TYR H . . 4.520 4.081 3.717 4.427 . 0 0 "[ . 1 . 2]" 1
533 1 27 ASP HA 1 30 TYR HB3 . . 4.880 3.092 2.645 3.470 . 0 0 "[ . 1 . 2]" 1
534 1 27 ASP HA 1 31 ARG H . . 4.700 4.105 3.798 4.662 . 0 0 "[ . 1 . 2]" 1
535 1 27 ASP QB 1 28 ARG H . . 3.680 2.769 2.287 3.251 . 0 0 "[ . 1 . 2]" 1
536 1 28 ARG H 1 28 ARG QB . . 2.920 2.442 2.025 2.771 . 0 0 "[ . 1 . 2]" 1
537 1 28 ARG H 1 28 ARG QD . . 4.960 3.596 2.671 4.429 . 0 0 "[ . 1 . 2]" 1
538 1 28 ARG H 1 28 ARG HG2 . . 3.960 3.113 2.143 4.049 0.089 3 0 "[ . 1 . 2]" 1
539 1 28 ARG H 1 28 ARG HG3 . . 4.480 3.934 3.607 4.205 . 0 0 "[ . 1 . 2]" 1
540 1 28 ARG H 1 29 TYR H . . 3.470 2.658 2.311 2.929 . 0 0 "[ . 1 . 2]" 1
541 1 28 ARG H 1 30 TYR H . . 5.060 4.186 3.881 4.391 . 0 0 "[ . 1 . 2]" 1
542 1 28 ARG H 1 31 ARG H . . 4.730 4.736 4.604 4.810 0.080 17 0 "[ . 1 . 2]" 1
543 1 28 ARG HA 1 28 ARG QD . . 4.270 3.159 2.691 3.809 . 0 0 "[ . 1 . 2]" 1
544 1 28 ARG HA 1 28 ARG HG2 . . 3.790 3.478 3.287 3.668 . 0 0 "[ . 1 . 2]" 1
545 1 28 ARG HA 1 28 ARG HG3 . . 3.880 3.281 2.205 3.948 0.068 17 0 "[ . 1 . 2]" 1
546 1 28 ARG HA 1 31 ARG H . . 4.020 3.651 3.341 3.937 . 0 0 "[ . 1 . 2]" 1
547 1 28 ARG HA 1 31 ARG HB3 . . 4.650 4.461 3.955 4.711 0.061 18 0 "[ . 1 . 2]" 1
548 1 28 ARG HA 1 31 ARG HD2 . . 4.450 4.049 2.815 4.604 0.154 11 0 "[ . 1 . 2]" 1
549 1 28 ARG HA 1 31 ARG HD3 . . 4.520 3.860 2.323 4.574 0.054 9 0 "[ . 1 . 2]" 1
550 1 28 ARG HA 1 32 GLU H . . 4.840 4.468 4.112 4.920 0.080 10 0 "[ . 1 . 2]" 1
551 1 28 ARG QB 1 28 ARG QD . . 3.330 2.486 2.328 2.624 . 0 0 "[ . 1 . 2]" 1
552 1 28 ARG QB 1 29 TYR H . . 3.340 2.203 2.081 2.296 . 0 0 "[ . 1 . 2]" 1
553 1 28 ARG QB 1 30 TYR H . . 5.090 4.628 4.468 4.796 . 0 0 "[ . 1 . 2]" 1
554 1 28 ARG QD 1 29 TYR H . . 5.270 4.928 4.319 5.199 . 0 0 "[ . 1 . 2]" 1
555 1 28 ARG HG2 1 29 TYR H . . 5.500 4.200 3.720 4.617 . 0 0 "[ . 1 . 2]" 1
556 1 28 ARG HG3 1 29 TYR H . . 4.460 4.519 4.335 4.549 0.089 3 0 "[ . 1 . 2]" 1
557 1 29 TYR H 1 29 TYR HB2 . . 3.400 2.392 2.283 2.546 . 0 0 "[ . 1 . 2]" 1
558 1 29 TYR H 1 29 TYR HB3 . . 3.360 2.542 2.398 2.754 . 0 0 "[ . 1 . 2]" 1
559 1 29 TYR H 1 29 TYR QD . . 4.210 4.173 4.112 4.256 0.046 18 0 "[ . 1 . 2]" 1
560 1 29 TYR H 1 30 TYR H . . 3.560 2.919 2.815 3.112 . 0 0 "[ . 1 . 2]" 1
561 1 29 TYR H 1 85 MET ME . . 4.690 4.072 3.635 4.685 . 0 0 "[ . 1 . 2]" 1
562 1 29 TYR HA 1 29 TYR QD . . 3.770 2.682 2.310 3.113 . 0 0 "[ . 1 . 2]" 1
563 1 29 TYR HA 1 30 TYR HA . . 4.900 4.858 4.810 4.919 0.019 6 0 "[ . 1 . 2]" 1
564 1 29 TYR HA 1 32 GLU H . . 4.400 3.616 3.406 4.017 . 0 0 "[ . 1 . 2]" 1
565 1 29 TYR HA 1 32 GLU QB . . 3.930 3.045 2.695 3.981 0.051 18 0 "[ . 1 . 2]" 1
566 1 29 TYR HA 1 33 ASN H . . 5.070 4.519 3.897 5.093 0.023 10 0 "[ . 1 . 2]" 1
567 1 29 TYR HA 1 33 ASN HD21 . . 4.650 3.348 2.818 4.694 0.044 17 0 "[ . 1 . 2]" 1
568 1 29 TYR HA 1 33 ASN HD22 . . 4.880 3.967 3.596 4.915 0.035 20 0 "[ . 1 . 2]" 1
569 1 29 TYR HA 1 85 MET ME . . 5.300 4.854 4.472 5.388 0.088 11 0 "[ . 1 . 2]" 1
570 1 29 TYR HB2 1 30 TYR H . . 3.760 3.824 3.722 3.875 0.115 15 0 "[ . 1 . 2]" 1
571 1 29 TYR HB2 1 85 MET ME . . 5.100 3.773 3.391 4.393 . 0 0 "[ . 1 . 2]" 1
572 1 29 TYR HB3 1 30 TYR H . . 4.170 2.503 2.322 2.606 . 0 0 "[ . 1 . 2]" 1
573 1 29 TYR QD 1 30 TYR H . . 3.970 3.536 2.962 3.887 . 0 0 "[ . 1 . 2]" 1
574 1 29 TYR QD 1 30 TYR HA . . 4.080 3.836 3.192 4.165 0.085 19 0 "[ . 1 . 2]" 1
575 1 29 TYR QD 1 33 ASN HD21 . . 5.350 3.374 2.658 3.778 . 0 0 "[ . 1 . 2]" 1
576 1 29 TYR QD 1 33 ASN HD22 . . 4.870 3.297 2.525 4.467 . 0 0 "[ . 1 . 2]" 1
577 1 29 TYR QD 1 81 THR MG . . 4.340 3.390 2.462 4.061 . 0 0 "[ . 1 . 2]" 1
578 1 29 TYR QD 1 85 MET ME . . 3.170 2.332 2.029 2.902 . 0 0 "[ . 1 . 2]" 1
579 1 29 TYR QD 1 85 MET HG2 . . 4.590 4.647 4.517 4.701 0.111 6 0 "[ . 1 . 2]" 1
580 1 29 TYR QE 1 33 ASN HD22 . . 4.770 3.292 2.450 4.636 . 0 0 "[ . 1 . 2]" 1
581 1 29 TYR QE 1 81 THR HB . . 4.710 3.278 2.408 4.281 . 0 0 "[ . 1 . 2]" 1
582 1 29 TYR QE 1 81 THR MG . . 3.450 3.001 2.145 3.550 0.100 5 0 "[ . 1 . 2]" 1
583 1 29 TYR QE 1 82 ASP H . . 5.500 4.000 3.294 4.553 . 0 0 "[ . 1 . 2]" 1
584 1 29 TYR QE 1 82 ASP HA . . 4.060 3.485 3.041 4.146 0.086 7 0 "[ . 1 . 2]" 1
585 1 29 TYR QE 1 85 MET ME . . 4.460 3.963 3.306 4.553 0.093 9 0 "[ . 1 . 2]" 1
586 1 30 TYR H 1 30 TYR HB2 . . 3.450 2.658 2.542 2.747 . 0 0 "[ . 1 . 2]" 1
587 1 30 TYR H 1 30 TYR HB3 . . 3.470 2.379 2.248 2.479 . 0 0 "[ . 1 . 2]" 1
588 1 30 TYR H 1 30 TYR QD . . 4.290 4.220 4.146 4.272 . 0 0 "[ . 1 . 2]" 1
589 1 30 TYR H 1 31 ARG H . . 3.690 2.881 2.807 3.018 . 0 0 "[ . 1 . 2]" 1
590 1 30 TYR H 1 32 GLU H . . 5.170 4.203 4.037 4.571 . 0 0 "[ . 1 . 2]" 1
591 1 30 TYR H 1 85 MET ME . . 4.400 2.768 2.245 3.166 . 0 0 "[ . 1 . 2]" 1
592 1 30 TYR HA 1 30 TYR QD . . 3.680 2.314 2.156 2.519 . 0 0 "[ . 1 . 2]" 1
593 1 30 TYR HA 1 30 TYR QE . . 4.750 4.580 4.464 4.721 . 0 0 "[ . 1 . 2]" 1
594 1 30 TYR HA 1 33 ASN H . . 3.890 3.476 3.280 3.619 . 0 0 "[ . 1 . 2]" 1
595 1 30 TYR HA 1 37 TYR QE . . 4.210 3.927 3.399 4.280 0.070 1 0 "[ . 1 . 2]" 1
596 1 30 TYR HA 1 85 MET ME . . 4.310 3.840 3.408 4.280 . 0 0 "[ . 1 . 2]" 1
597 1 30 TYR HB2 1 31 ARG H . . 4.240 3.937 3.806 4.126 . 0 0 "[ . 1 . 2]" 1
598 1 30 TYR HB2 1 85 MET ME . . 4.170 2.768 2.507 3.010 . 0 0 "[ . 1 . 2]" 1
599 1 30 TYR HB3 1 31 ARG H . . 3.670 2.527 2.373 2.808 . 0 0 "[ . 1 . 2]" 1
600 1 30 TYR HB3 1 85 MET ME . . 4.880 3.684 3.272 4.030 . 0 0 "[ . 1 . 2]" 1
601 1 30 TYR QD 1 31 ARG H . . 4.120 3.685 3.295 3.992 . 0 0 "[ . 1 . 2]" 1
602 1 30 TYR QD 1 31 ARG HA . . 4.750 4.117 3.843 4.406 . 0 0 "[ . 1 . 2]" 1
603 1 30 TYR QD 1 31 ARG HG3 . . 4.510 3.311 2.811 4.091 . 0 0 "[ . 1 . 2]" 1
604 1 30 TYR QD 1 33 ASN H . . 4.920 4.638 4.027 4.979 0.059 12 0 "[ . 1 . 2]" 1
605 1 30 TYR QD 1 34 MET ME . . 4.540 3.526 3.251 3.991 . 0 0 "[ . 1 . 2]" 1
606 1 30 TYR QD 1 34 MET HG2 . . 5.090 5.058 4.632 5.168 0.078 6 0 "[ . 1 . 2]" 1
607 1 30 TYR QD 1 37 TYR QD . . 4.210 3.686 3.338 4.199 . 0 0 "[ . 1 . 2]" 1
608 1 30 TYR QD 1 37 TYR QE . . 3.710 2.207 2.054 2.580 . 0 0 "[ . 1 . 2]" 1
609 1 30 TYR QD 1 85 MET HB3 . . 4.880 4.091 3.542 4.786 . 0 0 "[ . 1 . 2]" 1
610 1 30 TYR QD 1 85 MET ME . . 4.550 4.483 4.212 4.649 0.099 12 0 "[ . 1 . 2]" 1
611 1 30 TYR QD 1 89 VAL QG . . 4.930 3.491 3.294 3.714 . 0 0 "[ . 1 . 2]" 1
612 1 30 TYR QE 1 34 MET HA . . 4.400 2.596 2.159 3.033 . 0 0 "[ . 1 . 2]" 1
613 1 30 TYR QE 1 34 MET ME . . 3.520 2.834 2.642 3.312 . 0 0 "[ . 1 . 2]" 1
614 1 30 TYR QE 1 37 TYR QD . . 3.310 2.326 2.152 2.697 . 0 0 "[ . 1 . 2]" 1
615 1 30 TYR QE 1 37 TYR QE . . 3.740 2.751 2.027 3.223 . 0 0 "[ . 1 . 2]" 1
616 1 30 TYR QE 1 89 VAL HB . . 4.500 4.506 4.313 4.591 0.091 5 0 "[ . 1 . 2]" 1
617 1 30 TYR QE 1 89 VAL QG . . 3.580 2.270 2.039 2.462 . 0 0 "[ . 1 . 2]" 1
618 1 31 ARG H 1 31 ARG HG2 . . 4.230 3.792 3.480 4.071 . 0 0 "[ . 1 . 2]" 1
619 1 31 ARG H 1 31 ARG HG3 . . 3.230 2.621 2.164 3.034 . 0 0 "[ . 1 . 2]" 1
620 1 31 ARG H 1 32 GLU HG3 . . 5.500 4.909 4.363 5.580 0.080 15 0 "[ . 1 . 2]" 1
621 1 31 ARG H 1 33 ASN H . . 5.170 4.377 4.068 4.689 . 0 0 "[ . 1 . 2]" 1
622 1 31 ARG HA 1 31 ARG HD2 . . 4.630 4.653 4.426 4.810 0.180 20 0 "[ . 1 . 2]" 1
623 1 31 ARG HA 1 31 ARG HD3 . . 5.340 4.436 4.329 4.594 . 0 0 "[ . 1 . 2]" 1
624 1 31 ARG HA 1 31 ARG HG2 . . 3.790 2.433 2.288 2.699 . 0 0 "[ . 1 . 2]" 1
625 1 31 ARG HA 1 31 ARG HG3 . . 3.460 2.777 2.542 3.081 . 0 0 "[ . 1 . 2]" 1
626 1 31 ARG HA 1 32 GLU HA . . 5.210 4.668 4.538 4.779 . 0 0 "[ . 1 . 2]" 1
627 1 31 ARG HA 1 33 ASN H . . 5.110 4.382 3.798 5.015 . 0 0 "[ . 1 . 2]" 1
628 1 31 ARG HA 1 34 MET H . . 4.460 3.871 3.377 4.537 0.077 18 0 "[ . 1 . 2]" 1
629 1 31 ARG HA 1 34 MET ME . . 3.560 2.395 1.967 3.342 . 0 0 "[ . 1 . 2]" 1
630 1 31 ARG HA 1 34 MET HG2 . . 4.730 3.367 2.831 4.233 . 0 0 "[ . 1 . 2]" 1
631 1 31 ARG HA 1 34 MET HG3 . . 5.080 4.635 4.213 5.141 0.061 1 0 "[ . 1 . 2]" 1
632 1 31 ARG HB3 1 32 GLU H . . 3.860 3.782 3.499 3.934 0.074 17 0 "[ . 1 . 2]" 1
633 1 31 ARG HG2 1 32 GLU H . . 5.300 5.246 5.132 5.378 0.078 3 0 "[ . 1 . 2]" 1
634 1 31 ARG HG2 1 34 MET ME . . 2.930 2.888 2.534 3.027 0.097 1 0 "[ . 1 . 2]" 1
635 1 32 GLU H 1 32 GLU QB . . 3.070 2.403 2.159 2.610 . 0 0 "[ . 1 . 2]" 1
636 1 32 GLU H 1 32 GLU HG2 . . 4.090 3.351 2.637 3.904 . 0 0 "[ . 1 . 2]" 1
637 1 32 GLU H 1 32 GLU HG3 . . 3.550 2.821 2.522 3.430 . 0 0 "[ . 1 . 2]" 1
638 1 32 GLU H 1 33 ASN H . . 3.050 2.567 2.417 2.732 . 0 0 "[ . 1 . 2]" 1
639 1 32 GLU H 1 33 ASN HA . . 5.200 5.203 5.067 5.276 0.076 20 0 "[ . 1 . 2]" 1
640 1 32 GLU H 1 33 ASN HD21 . . 5.130 4.108 3.547 5.190 0.060 17 0 "[ . 1 . 2]" 1
641 1 32 GLU H 1 33 ASN HD22 . . 5.400 5.036 4.696 5.423 0.023 1 0 "[ . 1 . 2]" 1
642 1 32 GLU HA 1 32 GLU HG2 . . 3.250 2.348 2.201 2.549 . 0 0 "[ . 1 . 2]" 1
643 1 32 GLU HA 1 32 GLU HG3 . . 3.370 3.218 2.741 3.470 0.100 9 0 "[ . 1 . 2]" 1
644 1 32 GLU HA 1 34 MET H . . 4.570 4.400 3.987 4.647 0.077 6 0 "[ . 1 . 2]" 1
645 1 32 GLU HA 1 35 TYR QE . . 4.970 4.136 3.297 4.942 . 0 0 "[ . 1 . 2]" 1
646 1 32 GLU QB 1 33 ASN H . . 3.810 2.930 2.320 3.715 . 0 0 "[ . 1 . 2]" 1
647 1 32 GLU QB 1 33 ASN HA . . 4.890 4.104 3.642 4.636 . 0 0 "[ . 1 . 2]" 1
648 1 32 GLU QB 1 33 ASN HB2 . . 4.950 4.487 4.038 5.548 0.598 17 1 "[ . 1 . + 2]" 1
649 1 32 GLU QB 1 33 ASN HD21 . . 4.490 3.081 2.312 4.466 . 0 0 "[ . 1 . 2]" 1
650 1 32 GLU QB 1 33 ASN HD22 . . 4.670 3.387 2.558 4.773 0.103 20 0 "[ . 1 . 2]" 1
651 1 32 GLU QB 1 35 TYR QE . . 4.260 4.242 3.719 4.393 0.133 6 0 "[ . 1 . 2]" 1
652 1 33 ASN H 1 33 ASN HB2 . . 3.810 2.793 2.344 3.847 0.037 17 0 "[ . 1 . 2]" 1
653 1 33 ASN H 1 33 ASN HD21 . . 4.080 2.915 2.191 4.147 0.067 17 0 "[ . 1 . 2]" 1
654 1 33 ASN H 1 33 ASN HD22 . . 4.410 3.997 3.465 4.492 0.082 10 0 "[ . 1 . 2]" 1
655 1 33 ASN H 1 34 MET H . . 3.190 2.379 1.785 3.244 0.054 18 0 "[ . 1 . 2]" 1
656 1 33 ASN H 1 34 MET HA . . 5.030 4.588 4.127 5.087 0.057 18 0 "[ . 1 . 2]" 1
657 1 33 ASN H 1 34 MET QB . . 5.170 4.227 3.725 4.746 . 0 0 "[ . 1 . 2]" 1
658 1 33 ASN H 1 35 TYR QE . . 5.140 4.481 3.875 4.805 . 0 0 "[ . 1 . 2]" 1
659 1 33 ASN HA 1 35 TYR H . . 4.540 3.620 3.167 3.902 . 0 0 "[ . 1 . 2]" 1
660 1 33 ASN HA 1 35 TYR QD . . 3.890 3.387 2.939 3.946 0.056 10 0 "[ . 1 . 2]" 1
661 1 33 ASN HA 1 35 TYR QE . . 3.550 2.518 2.027 3.335 . 0 0 "[ . 1 . 2]" 1
662 1 33 ASN HA 1 36 ARG H . . 4.660 4.037 3.487 4.565 . 0 0 "[ . 1 . 2]" 1
663 1 33 ASN HA 1 36 ARG QD . . 4.470 4.026 2.635 4.413 . 0 0 "[ . 1 . 2]" 1
664 1 33 ASN HA 1 36 ARG HE . . 4.860 4.280 3.321 4.920 0.060 8 0 "[ . 1 . 2]" 1
665 1 33 ASN HA 1 36 ARG HG3 . . 4.960 3.891 2.843 5.040 0.080 20 0 "[ . 1 . 2]" 1
666 1 33 ASN HB3 1 34 MET H . . 4.650 4.298 4.082 4.521 . 0 0 "[ . 1 . 2]" 1
667 1 33 ASN HD21 1 34 MET H . . 5.450 4.993 4.250 5.519 0.069 17 0 "[ . 1 . 2]" 1
668 1 34 MET H 1 34 MET QB . . 3.520 2.444 2.276 2.862 . 0 0 "[ . 1 . 2]" 1
669 1 34 MET H 1 34 MET ME . . 5.470 4.103 3.694 4.494 . 0 0 "[ . 1 . 2]" 1
670 1 34 MET H 1 34 MET HG2 . . 3.560 2.206 1.923 2.496 . 0 0 "[ . 1 . 2]" 1
671 1 34 MET H 1 34 MET HG3 . . 4.240 3.384 2.590 3.895 . 0 0 "[ . 1 . 2]" 1
672 1 34 MET H 1 35 TYR H . . 4.370 3.038 2.341 3.258 . 0 0 "[ . 1 . 2]" 1
673 1 34 MET H 1 35 TYR QD . . 5.390 4.142 3.051 4.682 . 0 0 "[ . 1 . 2]" 1
674 1 34 MET H 1 35 TYR QE . . 5.220 4.416 2.984 4.904 . 0 0 "[ . 1 . 2]" 1
675 1 34 MET HA 1 34 MET ME . . 4.290 4.119 3.999 4.368 0.078 5 0 "[ . 1 . 2]" 1
676 1 34 MET HA 1 36 ARG H . . 4.610 3.827 3.607 4.032 . 0 0 "[ . 1 . 2]" 1
677 1 34 MET HA 1 37 TYR H . . 4.410 3.729 3.451 4.192 . 0 0 "[ . 1 . 2]" 1
678 1 34 MET HA 1 37 TYR QD . . 3.480 3.249 2.630 3.559 0.079 7 0 "[ . 1 . 2]" 1
679 1 34 MET HA 1 37 TYR QE . . 3.900 3.530 2.924 3.981 0.081 10 0 "[ . 1 . 2]" 1
680 1 34 MET QB 1 34 MET ME . . 2.960 2.039 1.947 2.225 . 0 0 "[ . 1 . 2]" 1
681 1 34 MET QB 1 35 TYR H . . 4.730 3.683 3.503 3.938 . 0 0 "[ . 1 . 2]" 1
682 1 34 MET QB 1 37 TYR QE . . 4.950 4.273 3.685 4.672 . 0 0 "[ . 1 . 2]" 1
683 1 34 MET HG2 1 35 TYR H . . 4.240 3.116 2.445 4.028 . 0 0 "[ . 1 . 2]" 1
684 1 34 MET HG2 1 35 TYR QD . . 4.860 3.678 3.113 4.280 . 0 0 "[ . 1 . 2]" 1
685 1 34 MET HG2 1 35 TYR QE . . 5.120 4.413 2.963 5.215 0.095 1 0 "[ . 1 . 2]" 1
686 1 34 MET HG3 1 35 TYR H . . 4.100 2.936 2.332 3.743 . 0 0 "[ . 1 . 2]" 1
687 1 34 MET HG3 1 35 TYR QD . . 4.910 3.516 2.530 4.498 . 0 0 "[ . 1 . 2]" 1
688 1 35 TYR H 1 35 TYR HB2 . . 3.650 3.482 3.204 3.654 0.004 6 0 "[ . 1 . 2]" 1
689 1 35 TYR H 1 35 TYR HB3 . . 3.500 2.906 2.527 3.547 0.047 19 0 "[ . 1 . 2]" 1
690 1 35 TYR H 1 35 TYR QD . . 3.240 2.334 1.927 2.720 . 0 0 "[ . 1 . 2]" 1
691 1 35 TYR H 1 35 TYR QE . . 4.690 3.788 3.486 4.054 . 0 0 "[ . 1 . 2]" 1
692 1 35 TYR H 1 36 ARG H . . 3.850 2.618 2.186 2.841 . 0 0 "[ . 1 . 2]" 1
693 1 35 TYR HA 1 35 TYR QD . . 3.710 3.681 3.366 3.783 0.073 16 0 "[ . 1 . 2]" 1
694 1 35 TYR HA 1 37 TYR H . . 4.550 3.777 3.375 4.049 . 0 0 "[ . 1 . 2]" 1
695 1 35 TYR HB2 1 36 ARG H . . 4.890 3.930 3.396 4.426 . 0 0 "[ . 1 . 2]" 1
696 1 35 TYR HB2 1 37 TYR H . . 5.330 5.324 5.021 5.403 0.073 18 0 "[ . 1 . 2]" 1
697 1 35 TYR QD 1 36 ARG H . . 5.070 3.260 3.007 3.482 . 0 0 "[ . 1 . 2]" 1
698 1 35 TYR QD 1 36 ARG HA . . 4.480 3.767 3.035 4.574 0.094 19 0 "[ . 1 . 2]" 1
699 1 35 TYR QD 1 36 ARG HB2 . . 4.960 4.927 4.345 5.049 0.089 8 0 "[ . 1 . 2]" 1
700 1 35 TYR QD 1 36 ARG HE . . 5.500 4.546 2.760 5.603 0.103 11 0 "[ . 1 . 2]" 1
701 1 35 TYR QD 1 36 ARG HG2 . . 4.800 3.342 2.928 4.153 . 0 0 "[ . 1 . 2]" 1
702 1 35 TYR QE 1 36 ARG QD . . 4.730 3.878 2.231 4.701 . 0 0 "[ . 1 . 2]" 1
703 1 35 TYR QE 1 36 ARG HG2 . . 4.770 3.559 2.527 4.941 0.171 10 0 "[ . 1 . 2]" 1
704 1 36 ARG H 1 36 ARG HB2 . . 3.430 2.479 2.256 2.578 . 0 0 "[ . 1 . 2]" 1
705 1 36 ARG H 1 36 ARG HB3 . . 4.030 3.594 3.524 3.664 . 0 0 "[ . 1 . 2]" 1
706 1 36 ARG H 1 36 ARG QD . . 4.610 3.605 2.967 4.189 . 0 0 "[ . 1 . 2]" 1
707 1 36 ARG H 1 36 ARG HG3 . . 3.720 2.917 2.096 3.792 0.072 6 0 "[ . 1 . 2]" 1
708 1 36 ARG H 1 37 TYR H . . 3.420 2.504 1.951 2.738 . 0 0 "[ . 1 . 2]" 1
709 1 36 ARG HA 1 36 ARG QD . . 4.800 3.351 2.011 4.108 . 0 0 "[ . 1 . 2]" 1
710 1 36 ARG HA 1 36 ARG HG2 . . 3.540 2.932 2.407 3.447 . 0 0 "[ . 1 . 2]" 1
711 1 36 ARG HA 1 36 ARG HG3 . . 3.990 3.388 2.389 3.953 . 0 0 "[ . 1 . 2]" 1
712 1 36 ARG HA 1 78 PHE QE . . 4.740 4.799 4.506 4.845 0.105 15 0 "[ . 1 . 2]" 1
713 1 36 ARG HB2 1 37 TYR H . . 4.440 3.036 2.752 3.487 . 0 0 "[ . 1 . 2]" 1
714 1 36 ARG HB2 1 37 TYR QE . . 4.210 3.542 2.980 4.275 0.065 15 0 "[ . 1 . 2]" 1
715 1 36 ARG HB3 1 36 ARG HE . . 4.670 4.196 3.127 4.741 0.071 15 0 "[ . 1 . 2]" 1
716 1 36 ARG HB3 1 37 TYR H . . 5.130 4.016 3.768 4.181 . 0 0 "[ . 1 . 2]" 1
717 1 36 ARG HB3 1 37 TYR QD . . 5.170 3.759 3.077 4.402 . 0 0 "[ . 1 . 2]" 1
718 1 36 ARG HB3 1 78 PHE QE . . 4.730 3.133 2.449 3.761 . 0 0 "[ . 1 . 2]" 1
719 1 36 ARG HE 1 36 ARG HG3 . . 3.870 2.832 2.214 3.872 0.002 11 0 "[ . 1 . 2]" 1
720 1 36 ARG HG3 1 37 TYR H . . 5.500 4.771 4.115 5.389 . 0 0 "[ . 1 . 2]" 1
721 1 37 TYR H 1 37 TYR QB . . 3.470 2.407 2.332 2.480 . 0 0 "[ . 1 . 2]" 1
722 1 37 TYR H 1 37 TYR QD . . 4.110 3.070 2.752 3.385 . 0 0 "[ . 1 . 2]" 1
723 1 37 TYR HA 1 37 TYR QD . . 3.190 2.243 2.053 2.424 . 0 0 "[ . 1 . 2]" 1
724 1 37 TYR HA 1 38 PRO HD2 . . 3.770 2.937 2.633 3.361 . 0 0 "[ . 1 . 2]" 1
725 1 37 TYR HA 1 38 PRO HD3 . . 3.830 2.238 2.116 2.508 . 0 0 "[ . 1 . 2]" 1
726 1 37 TYR HA 1 38 PRO HG2 . . 5.170 4.798 4.658 4.995 . 0 0 "[ . 1 . 2]" 1
727 1 37 TYR HA 1 38 PRO HG3 . . 4.970 4.418 4.154 4.777 . 0 0 "[ . 1 . 2]" 1
728 1 37 TYR HA 1 78 PHE QE . . 4.650 3.766 3.607 3.946 . 0 0 "[ . 1 . 2]" 1
729 1 37 TYR HA 1 86 MET ME . . 5.080 4.280 3.872 4.666 . 0 0 "[ . 1 . 2]" 1
730 1 37 TYR HA 1 86 MET HG2 . . 5.020 4.468 3.739 5.076 0.056 13 0 "[ . 1 . 2]" 1
731 1 37 TYR QB 1 38 PRO HA . . 4.890 4.528 4.326 4.634 . 0 0 "[ . 1 . 2]" 1
732 1 37 TYR QB 1 38 PRO HD3 . . 4.910 3.008 2.470 3.317 . 0 0 "[ . 1 . 2]" 1
733 1 37 TYR QB 1 78 PHE QE . . 4.870 4.891 4.624 4.970 0.100 10 0 "[ . 1 . 2]" 1
734 1 37 TYR QB 1 86 MET HG2 . . 4.520 3.649 2.636 4.464 . 0 0 "[ . 1 . 2]" 1
735 1 37 TYR QB 1 89 VAL QG . . 3.890 2.324 2.101 2.510 . 0 0 "[ . 1 . 2]" 1
736 1 37 TYR QD 1 38 PRO HD2 . . 5.350 4.105 3.554 4.387 . 0 0 "[ . 1 . 2]" 1
737 1 37 TYR QD 1 38 PRO HD3 . . 5.280 3.925 3.378 4.413 . 0 0 "[ . 1 . 2]" 1
738 1 37 TYR QD 1 78 PHE QD . . 4.960 4.534 4.305 4.725 . 0 0 "[ . 1 . 2]" 1
739 1 37 TYR QD 1 78 PHE QE . . 4.070 2.338 2.208 2.746 . 0 0 "[ . 1 . 2]" 1
740 1 37 TYR QD 1 82 ASP HB3 . . 4.900 4.143 3.820 4.578 . 0 0 "[ . 1 . 2]" 1
741 1 37 TYR QD 1 86 MET HA . . 4.110 3.463 2.731 4.128 0.018 6 0 "[ . 1 . 2]" 1
742 1 37 TYR QD 1 86 MET HB2 . . 3.940 3.466 2.921 4.028 0.088 7 0 "[ . 1 . 2]" 1
743 1 37 TYR QD 1 86 MET ME . . 4.380 3.480 2.891 4.016 . 0 0 "[ . 1 . 2]" 1
744 1 37 TYR QD 1 86 MET HG2 . . 4.810 4.233 3.917 4.511 . 0 0 "[ . 1 . 2]" 1
745 1 37 TYR QD 1 89 VAL HB . . 4.530 3.303 2.534 4.111 . 0 0 "[ . 1 . 2]" 1
746 1 37 TYR QD 1 89 VAL QG . . 4.040 1.952 1.851 2.146 . 0 0 "[ . 1 . 2]" 1
747 1 37 TYR QE 1 78 PHE QD . . 5.070 3.774 3.334 4.182 . 0 0 "[ . 1 . 2]" 1
748 1 37 TYR QE 1 78 PHE QE . . 3.870 2.367 2.159 2.881 . 0 0 "[ . 1 . 2]" 1
749 1 37 TYR QE 1 82 ASP HA . . 3.890 3.204 2.899 3.815 . 0 0 "[ . 1 . 2]" 1
750 1 37 TYR QE 1 82 ASP HB2 . . 4.260 3.977 3.740 4.343 0.083 6 0 "[ . 1 . 2]" 1
751 1 37 TYR QE 1 82 ASP HB3 . . 3.680 2.299 2.062 2.618 . 0 0 "[ . 1 . 2]" 1
752 1 37 TYR QE 1 83 VAL HA . . 5.190 5.045 4.469 5.288 0.098 6 0 "[ . 1 . 2]" 1
753 1 37 TYR QE 1 85 MET HB2 . . 4.650 3.437 2.855 4.291 . 0 0 "[ . 1 . 2]" 1
754 1 37 TYR QE 1 85 MET HB3 . . 4.590 3.049 2.351 4.640 0.050 6 0 "[ . 1 . 2]" 1
755 1 37 TYR QE 1 86 MET HA . . 4.930 3.548 2.786 4.051 . 0 0 "[ . 1 . 2]" 1
756 1 37 TYR QE 1 86 MET HB2 . . 3.820 3.225 2.582 3.903 0.083 14 0 "[ . 1 . 2]" 1
757 1 37 TYR QE 1 86 MET ME . . 4.530 3.603 2.836 3.976 . 0 0 "[ . 1 . 2]" 1
758 1 37 TYR QE 1 86 MET HG2 . . 5.090 5.178 5.089 5.248 0.158 14 0 "[ . 1 . 2]" 1
759 1 37 TYR QE 1 89 VAL HB . . 3.890 3.863 3.518 3.989 0.099 15 0 "[ . 1 . 2]" 1
760 1 37 TYR QE 1 89 VAL QG . . 4.650 2.738 2.183 3.192 . 0 0 "[ . 1 . 2]" 1
761 1 38 PRO HA 1 39 ASN H . . 2.910 2.296 2.176 2.413 . 0 0 "[ . 1 . 2]" 1
762 1 38 PRO HA 1 40 GLN H . . 3.790 3.597 3.190 3.855 0.065 7 0 "[ . 1 . 2]" 1
763 1 38 PRO HA 1 67 HIS HE1 . . 4.570 3.759 2.752 4.605 0.035 15 0 "[ . 1 . 2]" 1
764 1 38 PRO HB2 1 39 ASN H . . 4.220 3.251 2.535 3.983 . 0 0 "[ . 1 . 2]" 1
765 1 38 PRO HB2 1 40 GLN H . . 3.520 2.563 1.873 3.578 0.058 10 0 "[ . 1 . 2]" 1
766 1 38 PRO HB2 1 41 VAL QG . . 4.530 3.806 2.817 4.504 . 0 0 "[ . 1 . 2]" 1
767 1 38 PRO HB2 1 63 THR MG . . 5.210 3.226 2.572 3.810 . 0 0 "[ . 1 . 2]" 1
768 1 38 PRO HB3 1 39 ASN H . . 3.960 3.384 2.787 4.010 0.050 6 0 "[ . 1 . 2]" 1
769 1 38 PRO HB3 1 40 GLN H . . 3.900 3.212 2.379 3.948 0.048 1 0 "[ . 1 . 2]" 1
770 1 38 PRO HB3 1 63 THR MG . . 4.480 3.198 2.389 3.986 . 0 0 "[ . 1 . 2]" 1
771 1 38 PRO HB3 1 90 VAL QG . . 4.840 4.294 3.754 4.732 . 0 0 "[ . 1 . 2]" 1
772 1 38 PRO HD2 1 86 MET HG2 . . 5.270 3.262 2.316 4.012 . 0 0 "[ . 1 . 2]" 1
773 1 38 PRO HD2 1 89 VAL QG . . 5.350 3.204 3.066 3.432 . 0 0 "[ . 1 . 2]" 1
774 1 38 PRO HD2 1 90 VAL QG . . 4.510 2.657 2.298 3.140 . 0 0 "[ . 1 . 2]" 1
775 1 38 PRO HD3 1 90 VAL QG . . 5.400 3.554 3.131 4.043 . 0 0 "[ . 1 . 2]" 1
776 1 38 PRO HG2 1 63 THR MG . . 3.050 2.595 2.245 3.305 0.255 9 0 "[ . 1 . 2]" 1
777 1 38 PRO HG2 1 67 HIS QB . . 4.610 3.932 3.379 5.093 0.483 9 0 "[ . 1 . 2]" 1
778 1 38 PRO HG2 1 67 HIS HD2 . . 4.860 4.801 4.304 4.940 0.080 6 0 "[ . 1 . 2]" 1
779 1 38 PRO HG2 1 90 VAL QG . . 4.240 2.345 2.123 2.722 . 0 0 "[ . 1 . 2]" 1
780 1 38 PRO HG3 1 67 HIS QB . . 5.140 2.539 2.103 3.563 . 0 0 "[ . 1 . 2]" 1
781 1 38 PRO HG3 1 67 HIS HD2 . . 4.840 3.421 2.744 3.940 . 0 0 "[ . 1 . 2]" 1
782 1 38 PRO HG3 1 90 VAL QG . . 4.800 3.350 2.680 3.913 . 0 0 "[ . 1 . 2]" 1
783 1 39 ASN H 1 40 GLN H . . 3.040 2.219 1.864 2.748 . 0 0 "[ . 1 . 2]" 1
784 1 39 ASN H 1 40 GLN HA . . 5.130 4.895 4.672 5.142 0.012 20 0 "[ . 1 . 2]" 1
785 1 39 ASN HA 1 39 ASN HD22 . . 5.500 5.053 4.033 5.344 . 0 0 "[ . 1 . 2]" 1
786 1 39 ASN HA 1 93 MET ME . . 3.380 2.764 2.032 3.473 0.093 11 0 "[ . 1 . 2]" 1
787 1 40 GLN H 1 40 GLN QG . . 4.630 3.642 2.939 4.157 . 0 0 "[ . 1 . 2]" 1
788 1 40 GLN H 1 41 VAL H . . 4.510 4.368 4.176 4.476 . 0 0 "[ . 1 . 2]" 1
789 1 40 GLN H 1 41 VAL QG . . 5.040 4.065 3.379 4.504 . 0 0 "[ . 1 . 2]" 1
790 1 40 GLN H 1 63 THR MG . . 5.500 4.403 4.104 4.938 . 0 0 "[ . 1 . 2]" 1
791 1 40 GLN H 1 93 MET ME . . 4.580 3.928 2.828 4.655 0.075 18 0 "[ . 1 . 2]" 1
792 1 40 GLN HA 1 40 GLN QG . . 3.450 2.192 2.058 2.453 . 0 0 "[ . 1 . 2]" 1
793 1 40 GLN HA 1 41 VAL H . . 3.060 2.460 2.213 2.672 . 0 0 "[ . 1 . 2]" 1
794 1 40 GLN HA 1 41 VAL QG . . 4.430 3.069 2.673 3.368 . 0 0 "[ . 1 . 2]" 1
795 1 40 GLN HA 1 93 MET ME . . 5.100 4.266 3.067 5.182 0.082 15 0 "[ . 1 . 2]" 1
796 1 40 GLN HB3 1 40 GLN HE21 . . 4.750 3.683 2.498 4.541 . 0 0 "[ . 1 . 2]" 1
797 1 40 GLN HB3 1 40 GLN HE22 . . 4.810 4.509 3.749 5.250 0.440 2 0 "[ . 1 . 2]" 1
798 1 40 GLN HB3 1 41 VAL H . . 4.280 2.521 1.824 3.343 . 0 0 "[ . 1 . 2]" 1
799 1 40 GLN HB3 1 63 THR MG . . 4.660 4.750 4.078 5.222 0.562 20 1 "[ . 1 . +]" 1
800 1 40 GLN QG 1 41 VAL H . . 4.380 3.196 2.425 3.647 . 0 0 "[ . 1 . 2]" 1
801 1 41 VAL H 1 41 VAL QG . . 3.670 2.276 2.026 2.479 . 0 0 "[ . 1 . 2]" 1
802 1 41 VAL HA 1 42 TYR H . . 3.250 2.353 2.079 2.685 . 0 0 "[ . 1 . 2]" 1
803 1 41 VAL HA 1 63 THR MG . . 3.280 2.068 1.951 2.252 . 0 0 "[ . 1 . 2]" 1
804 1 41 VAL HA 1 90 VAL QG . . 5.170 3.383 3.151 3.657 . 0 0 "[ . 1 . 2]" 1
805 1 41 VAL HB 1 63 THR MG . . 4.040 3.493 2.943 3.947 . 0 0 "[ . 1 . 2]" 1
806 1 41 VAL QG 1 42 TYR H . . 4.730 3.334 2.889 3.714 . 0 0 "[ . 1 . 2]" 1
807 1 41 VAL QG 1 43 TYR QD . . 4.140 2.889 2.175 3.470 . 0 0 "[ . 1 . 2]" 1
808 1 41 VAL QG 1 43 TYR QE . . 4.790 4.001 2.370 4.771 . 0 0 "[ . 1 . 2]" 1
809 1 41 VAL QG 1 63 THR MG . . 3.270 2.564 2.198 2.946 . 0 0 "[ . 1 . 2]" 1
810 1 41 VAL QG 1 93 MET H . . 4.750 3.998 3.666 4.478 . 0 0 "[ . 1 . 2]" 1
811 1 41 VAL QG 1 93 MET HA . . 5.130 3.921 3.648 4.190 . 0 0 "[ . 1 . 2]" 1
812 1 41 VAL QG 1 93 MET HB3 . . 3.750 2.279 1.993 2.754 . 0 0 "[ . 1 . 2]" 1
813 1 41 VAL QG 1 93 MET ME . . 3.710 2.975 2.239 3.730 0.020 18 0 "[ . 1 . 2]" 1
814 1 41 VAL QG 1 93 MET QG . . 5.500 3.599 3.136 4.155 . 0 0 "[ . 1 . 2]" 1
815 1 41 VAL QG 1 94 CYS H . . 4.370 2.690 2.408 2.941 . 0 0 "[ . 1 . 2]" 1
816 1 41 VAL QG 1 94 CYS HA . . 3.670 2.224 1.972 2.558 . 0 0 "[ . 1 . 2]" 1
817 1 41 VAL QG 1 97 GLN H . . 5.340 3.925 3.553 4.176 . 0 0 "[ . 1 . 2]" 1
818 1 41 VAL QG 1 97 GLN HA . . 4.620 4.450 4.163 4.633 0.013 18 0 "[ . 1 . 2]" 1
819 1 41 VAL QG 1 97 GLN HB2 . . 4.130 2.560 2.158 3.020 . 0 0 "[ . 1 . 2]" 1
820 1 41 VAL QG 1 97 GLN HB3 . . 4.170 2.934 2.369 3.552 . 0 0 "[ . 1 . 2]" 1
821 1 42 TYR H 1 42 TYR HB2 . . 3.270 2.315 2.044 2.609 . 0 0 "[ . 1 . 2]" 1
822 1 42 TYR H 1 42 TYR QD . . 3.950 3.612 3.081 4.029 0.079 2 0 "[ . 1 . 2]" 1
823 1 42 TYR H 1 62 ILE MG . . 5.380 4.024 3.321 4.452 . 0 0 "[ . 1 . 2]" 1
824 1 42 TYR H 1 63 THR H . . 4.960 4.245 3.876 4.802 . 0 0 "[ . 1 . 2]" 1
825 1 42 TYR H 1 63 THR HA . . 4.770 3.843 3.342 4.555 . 0 0 "[ . 1 . 2]" 1
826 1 42 TYR H 1 63 THR HB . . 4.690 3.961 3.743 4.541 . 0 0 "[ . 1 . 2]" 1
827 1 42 TYR H 1 63 THR MG . . 4.350 2.848 2.366 3.596 . 0 0 "[ . 1 . 2]" 1
828 1 42 TYR HA 1 42 TYR QD . . 4.110 2.317 2.094 2.740 . 0 0 "[ . 1 . 2]" 1
829 1 42 TYR HA 1 42 TYR QE . . 4.680 4.393 4.240 4.542 . 0 0 "[ . 1 . 2]" 1
830 1 42 TYR HA 1 43 TYR H . . 3.110 2.233 2.132 2.441 . 0 0 "[ . 1 . 2]" 1
831 1 42 TYR HA 1 43 TYR QD . . 4.650 3.734 3.122 4.687 0.037 20 0 "[ . 1 . 2]" 1
832 1 42 TYR HA 1 62 ILE MG . . 4.950 4.487 4.151 4.961 0.011 6 0 "[ . 1 . 2]" 1
833 1 42 TYR HA 1 63 THR MG . . 5.450 4.843 4.192 5.256 . 0 0 "[ . 1 . 2]" 1
834 1 42 TYR HB2 1 62 ILE MG . . 3.610 2.214 2.006 2.576 . 0 0 "[ . 1 . 2]" 1
835 1 42 TYR HB2 1 63 THR H . . 4.700 3.792 3.473 4.108 . 0 0 "[ . 1 . 2]" 1
836 1 42 TYR HB2 1 63 THR HA . . 4.270 3.028 2.571 3.353 . 0 0 "[ . 1 . 2]" 1
837 1 42 TYR HB3 1 62 ILE MG . . 4.780 2.410 2.161 2.850 . 0 0 "[ . 1 . 2]" 1
838 1 42 TYR HB3 1 63 THR HA . . 4.650 4.587 4.092 4.738 0.088 9 0 "[ . 1 . 2]" 1
839 1 42 TYR QD 1 43 TYR H . . 4.970 3.587 3.327 4.054 . 0 0 "[ . 1 . 2]" 1
840 1 42 TYR QD 1 63 THR HA . . 3.430 2.395 2.025 3.376 . 0 0 "[ . 1 . 2]" 1
841 1 42 TYR QD 1 63 THR MG . . 3.970 3.150 2.609 3.591 . 0 0 "[ . 1 . 2]" 1
842 1 42 TYR QD 1 66 GLN HE21 . . 4.450 4.093 3.421 4.989 0.539 18 1 "[ . 1 . + 2]" 1
843 1 42 TYR QE 1 63 THR HA . . 4.760 4.258 3.679 4.848 0.088 7 0 "[ . 1 . 2]" 1
844 1 42 TYR QE 1 63 THR MG . . 4.760 4.399 4.054 4.835 0.075 12 0 "[ . 1 . 2]" 1
845 1 42 TYR QE 1 66 GLN HA . . 4.370 4.473 4.463 4.484 0.114 14 0 "[ . 1 . 2]" 1
846 1 42 TYR QE 1 66 GLN HB2 . . 3.800 2.977 2.482 3.399 . 0 0 "[ . 1 . 2]" 1
847 1 42 TYR QE 1 66 GLN HB3 . . 3.900 2.211 2.102 2.443 . 0 0 "[ . 1 . 2]" 1
848 1 42 TYR QE 1 66 GLN HG2 . . 4.760 3.654 2.375 4.277 . 0 0 "[ . 1 . 2]" 1
849 1 42 TYR QE 1 66 GLN HG3 . . 4.630 2.575 2.047 3.802 . 0 0 "[ . 1 . 2]" 1
850 1 43 TYR H 1 43 TYR QD . . 4.030 2.801 1.812 3.501 . 0 0 "[ . 1 . 2]" 1
851 1 43 TYR H 1 43 TYR QE . . 5.260 4.328 3.934 4.966 . 0 0 "[ . 1 . 2]" 1
852 1 43 TYR H 1 44 ARG H . . 5.320 4.408 4.322 4.555 . 0 0 "[ . 1 . 2]" 1
853 1 43 TYR HA 1 44 ARG H . . 3.400 2.570 2.315 2.860 . 0 0 "[ . 1 . 2]" 1
854 1 43 TYR HA 1 44 ARG QD . . 4.650 3.997 3.065 4.622 . 0 0 "[ . 1 . 2]" 1
855 1 43 TYR HB2 1 44 ARG H . . 4.230 2.258 1.946 2.604 . 0 0 "[ . 1 . 2]" 1
856 1 43 TYR HB2 1 55 PHE QD . . 4.800 4.012 3.343 4.524 . 0 0 "[ . 1 . 2]" 1
857 1 43 TYR QD 1 44 ARG H . . 4.740 3.025 2.512 3.694 . 0 0 "[ . 1 . 2]" 1
858 1 43 TYR QD 1 45 PRO HA . . 4.290 3.628 2.965 4.383 0.093 8 0 "[ . 1 . 2]" 1
859 1 43 TYR QD 1 55 PHE QD . . 5.050 5.006 3.921 5.176 0.126 7 0 "[ . 1 . 2]" 1
860 1 43 TYR QD 1 55 PHE QE . . 4.690 3.301 2.174 3.765 . 0 0 "[ . 1 . 2]" 1
861 1 43 TYR QD 1 101 GLU HB2 . . 4.980 4.591 3.550 5.073 0.093 17 0 "[ . 1 . 2]" 1
862 1 43 TYR QE 1 45 PRO HA . . 3.980 3.539 2.671 4.051 0.071 15 0 "[ . 1 . 2]" 1
863 1 43 TYR QE 1 55 PHE QE . . 4.960 4.838 4.161 5.066 0.106 14 0 "[ . 1 . 2]" 1
864 1 43 TYR QE 1 97 GLN HE21 . . 5.430 3.605 2.340 5.704 0.274 11 0 "[ . 1 . 2]" 1
865 1 43 TYR QE 1 97 GLN HG2 . . 5.130 3.809 2.323 5.382 0.252 9 0 "[ . 1 . 2]" 1
866 1 43 TYR QE 1 101 GLU HG2 . . 4.210 2.899 2.144 3.517 . 0 0 "[ . 1 . 2]" 1
867 1 43 TYR QE 1 101 GLU HG3 . . 5.120 3.188 2.131 4.182 . 0 0 "[ . 1 . 2]" 1
868 1 44 ARG H 1 44 ARG HB2 . . 4.190 2.574 2.228 2.878 . 0 0 "[ . 1 . 2]" 1
869 1 44 ARG H 1 44 ARG QD . . 4.860 3.531 2.641 4.542 . 0 0 "[ . 1 . 2]" 1
870 1 44 ARG H 1 44 ARG QG . . 4.920 3.470 2.149 4.170 . 0 0 "[ . 1 . 2]" 1
871 1 44 ARG H 1 55 PHE QD . . 4.940 4.365 3.371 4.983 0.043 18 0 "[ . 1 . 2]" 1
872 1 44 ARG H 1 55 PHE QE . . 4.890 3.460 2.370 4.458 . 0 0 "[ . 1 . 2]" 1
873 1 44 ARG HA 1 44 ARG QD . . 4.590 2.850 2.082 3.820 . 0 0 "[ . 1 . 2]" 1
874 1 44 ARG HA 1 45 PRO HB3 . . 4.990 4.948 4.631 5.064 0.074 5 0 "[ . 1 . 2]" 1
875 1 44 ARG HA 1 45 PRO HD2 . . 3.650 2.552 2.281 2.955 . 0 0 "[ . 1 . 2]" 1
876 1 44 ARG HA 1 45 PRO HD3 . . 4.020 2.508 2.341 2.670 . 0 0 "[ . 1 . 2]" 1
877 1 44 ARG HA 1 45 PRO HG3 . . 4.640 4.686 4.596 4.717 0.077 20 0 "[ . 1 . 2]" 1
878 1 44 ARG HB2 1 44 ARG QD . . 3.900 2.811 2.232 3.598 . 0 0 "[ . 1 . 2]" 1
879 1 44 ARG HB2 1 49 TYR QE . . 5.160 3.439 2.382 4.624 . 0 0 "[ . 1 . 2]" 1
880 1 44 ARG HB3 1 45 PRO HD3 . . 4.640 3.698 3.440 4.306 . 0 0 "[ . 1 . 2]" 1
881 1 44 ARG HB3 1 49 TYR QE . . 4.050 3.688 2.470 4.553 0.503 11 1 "[ . 1+ . 2]" 1
882 1 44 ARG QD 1 49 TYR QE . . 5.500 4.067 2.740 5.139 . 0 0 "[ . 1 . 2]" 1
883 1 45 PRO HA 1 46 VAL H . . 3.260 2.358 2.158 2.632 . 0 0 "[ . 1 . 2]" 1
884 1 45 PRO HA 1 46 VAL QG . . 5.260 3.787 3.389 4.569 . 0 0 "[ . 1 . 2]" 1
885 1 45 PRO HB3 1 46 VAL H . . 4.490 3.757 3.268 4.208 . 0 0 "[ . 1 . 2]" 1
886 1 46 VAL H 1 46 VAL HB . . 3.710 2.891 2.048 3.677 . 0 0 "[ . 1 . 2]" 1
887 1 46 VAL H 1 46 VAL QG . . 4.210 2.141 1.770 2.858 . 0 0 "[ . 1 . 2]" 1
888 1 46 VAL H 1 101 GLU HA . . 4.980 5.046 4.992 5.070 0.090 7 0 "[ . 1 . 2]" 1
889 1 46 VAL HB 1 102 SER HA . . 4.900 3.960 3.460 4.508 . 0 0 "[ . 1 . 2]" 1
890 1 46 VAL HB 1 105 TYR QD . . 4.810 4.383 2.909 4.900 0.090 5 0 "[ . 1 . 2]" 1
891 1 46 VAL QG 1 55 PHE QD . . 5.250 4.165 3.432 4.828 . 0 0 "[ . 1 . 2]" 1
892 1 46 VAL QG 1 55 PHE QE . . 4.690 3.106 2.057 3.920 . 0 0 "[ . 1 . 2]" 1
893 1 46 VAL QG 1 98 TYR HA . . 4.940 4.098 3.596 4.697 . 0 0 "[ . 1 . 2]" 1
894 1 46 VAL QG 1 98 TYR QD . . 5.090 2.991 2.390 4.033 . 0 0 "[ . 1 . 2]" 1
895 1 46 VAL QG 1 98 TYR QE . . 4.130 2.769 1.992 3.929 . 0 0 "[ . 1 . 2]" 1
896 1 46 VAL QG 1 101 GLU H . . 5.500 4.570 4.165 5.146 . 0 0 "[ . 1 . 2]" 1
897 1 46 VAL QG 1 101 GLU HA . . 5.080 3.738 3.094 4.248 . 0 0 "[ . 1 . 2]" 1
898 1 46 VAL QG 1 101 GLU HB2 . . 4.100 3.498 2.420 4.288 0.188 2 0 "[ . 1 . 2]" 1
899 1 46 VAL QG 1 101 GLU HB3 . . 4.520 2.372 1.916 3.329 . 0 0 "[ . 1 . 2]" 1
900 1 46 VAL QG 1 101 GLU HG2 . . 5.500 4.021 2.960 4.986 . 0 0 "[ . 1 . 2]" 1
901 1 46 VAL QG 1 101 GLU HG3 . . 5.330 3.572 2.033 4.520 . 0 0 "[ . 1 . 2]" 1
902 1 46 VAL QG 1 102 SER HA . . 3.740 2.123 1.925 2.634 . 0 0 "[ . 1 . 2]" 1
903 1 46 VAL QG 1 102 SER QB . . 4.900 2.885 2.197 3.504 . 0 0 "[ . 1 . 2]" 1
904 1 46 VAL QG 1 105 TYR H . . 5.090 3.814 3.313 4.651 . 0 0 "[ . 1 . 2]" 1
905 1 46 VAL QG 1 105 TYR HB2 . . 4.040 2.451 1.949 3.645 . 0 0 "[ . 1 . 2]" 1
906 1 46 VAL QG 1 105 TYR HB3 . . 4.030 2.507 2.137 3.447 . 0 0 "[ . 1 . 2]" 1
907 1 46 VAL QG 1 105 TYR QD . . 4.320 2.569 2.097 3.247 . 0 0 "[ . 1 . 2]" 1
908 1 46 VAL QG 1 106 TYR QD . . 5.280 4.262 3.674 4.645 . 0 0 "[ . 1 . 2]" 1
909 1 46 VAL QG 1 106 TYR QE . . 4.550 3.732 3.184 4.236 . 0 0 "[ . 1 . 2]" 1
910 1 48 GLN HB3 1 48 GLN HE21 . . 4.790 3.363 2.174 4.600 . 0 0 "[ . 1 . 2]" 1
911 1 48 GLN HE21 1 49 TYR HA . . 5.180 3.792 2.286 5.146 . 0 0 "[ . 1 . 2]" 1
912 1 48 GLN HE21 1 49 TYR HB2 . . 4.920 4.747 3.729 5.126 0.206 14 0 "[ . 1 . 2]" 1
913 1 48 GLN HE21 1 49 TYR QD . . 4.730 3.812 2.150 4.833 0.103 3 0 "[ . 1 . 2]" 1
914 1 49 TYR HA 1 49 TYR QD . . 3.860 2.944 2.462 3.757 . 0 0 "[ . 1 . 2]" 1
915 1 49 TYR QD 1 54 THR HB . . 4.020 3.870 2.949 4.106 0.086 14 0 "[ . 1 . 2]" 1
916 1 49 TYR QD 1 54 THR MG . . 4.720 4.098 3.360 4.835 0.115 7 0 "[ . 1 . 2]" 1
917 1 49 TYR QD 1 55 PHE QE . . 5.100 4.280 2.595 5.191 0.091 11 0 "[ . 1 . 2]" 1
918 1 49 TYR QE 1 54 THR HB . . 4.590 3.491 2.116 4.676 0.086 11 0 "[ . 1 . 2]" 1
919 1 49 TYR QE 1 54 THR MG . . 4.600 2.883 2.077 4.379 . 0 0 "[ . 1 . 2]" 1
920 1 50 SER HB3 1 51 ASN QB . . 4.960 4.415 3.121 5.438 0.478 15 0 "[ . 1 . 2]" 1
921 1 51 ASN HA 1 51 ASN HD21 . . 4.570 4.150 3.669 4.536 . 0 0 "[ . 1 . 2]" 1
922 1 51 ASN HA 1 51 ASN HD22 . . 5.010 4.906 4.409 5.108 0.098 15 0 "[ . 1 . 2]" 1
923 1 51 ASN HA 1 53 ASN H . . 4.420 3.920 3.308 4.493 0.073 14 0 "[ . 1 . 2]" 1
924 1 51 ASN QB 1 52 GLN H . . 4.520 3.387 2.174 4.081 . 0 0 "[ . 1 . 2]" 1
925 1 51 ASN QB 1 53 ASN H . . 4.120 3.379 2.563 4.078 . 0 0 "[ . 1 . 2]" 1
926 1 51 ASN QB 1 54 THR H . . 5.230 3.322 2.472 4.155 . 0 0 "[ . 1 . 2]" 1
927 1 51 ASN HD21 1 54 THR H . . 5.100 3.680 2.467 4.957 . 0 0 "[ . 1 . 2]" 1
928 1 51 ASN HD21 1 54 THR HB . . 5.300 3.411 2.204 5.150 . 0 0 "[ . 1 . 2]" 1
929 1 51 ASN HD21 1 54 THR MG . . 5.060 4.327 3.408 5.155 0.095 19 0 "[ . 1 . 2]" 1
930 1 51 ASN HD22 1 54 THR H . . 5.370 3.913 3.003 5.439 0.069 6 0 "[ . 1 . 2]" 1
931 1 51 ASN HD22 1 54 THR MG . . 5.500 4.186 3.140 5.498 . 0 0 "[ . 1 . 2]" 1
932 1 52 GLN H 1 53 ASN H . . 3.900 2.776 2.094 3.319 . 0 0 "[ . 1 . 2]" 1
933 1 52 GLN HB3 1 53 ASN H . . 4.150 3.349 2.253 4.207 0.057 18 0 "[ . 1 . 2]" 1
934 1 52 GLN HE21 1 53 ASN HA . . 5.490 5.436 4.500 6.334 0.844 3 2 "[ + . 1 . -]" 1
935 1 52 GLN HE21 1 56 VAL MG2 . . 4.380 2.933 2.059 4.230 . 0 0 "[ . 1 . 2]" 1
936 1 52 GLN HE21 1 95 VAL MG1 . . 5.020 3.108 2.322 4.458 . 0 0 "[ . 1 . 2]" 1
937 1 52 GLN HE22 1 56 VAL MG2 . . 4.230 3.817 2.276 4.334 0.104 17 0 "[ . 1 . 2]" 1
938 1 52 GLN HE22 1 95 VAL MG1 . . 4.230 2.801 2.224 3.464 . 0 0 "[ . 1 . 2]" 1
939 1 52 GLN HE22 1 99 GLN QE . . 4.060 3.436 2.812 4.447 0.387 9 0 "[ . 1 . 2]" 1
940 1 52 GLN HG2 1 56 VAL MG2 . . 4.410 3.318 2.204 5.041 0.631 16 1 "[ . 1 .+ 2]" 1
941 1 52 GLN HG3 1 56 VAL MG2 . . 5.000 3.178 2.247 4.643 . 0 0 "[ . 1 . 2]" 1
942 1 53 ASN H 1 53 ASN HB2 . . 3.330 2.359 2.164 2.649 . 0 0 "[ . 1 . 2]" 1
943 1 53 ASN H 1 53 ASN HD21 . . 4.560 3.541 2.263 4.636 0.076 2 0 "[ . 1 . 2]" 1
944 1 53 ASN H 1 53 ASN HD22 . . 5.140 4.427 3.508 5.186 0.046 5 0 "[ . 1 . 2]" 1
945 1 53 ASN HA 1 53 ASN HB3 . . 2.930 2.671 2.487 2.953 0.023 5 0 "[ . 1 . 2]" 1
946 1 53 ASN HA 1 53 ASN HD21 . . 4.700 3.410 1.910 4.516 . 0 0 "[ . 1 . 2]" 1
947 1 53 ASN HA 1 53 ASN HD22 . . 5.060 4.006 3.293 4.677 . 0 0 "[ . 1 . 2]" 1
948 1 53 ASN HA 1 56 VAL HB . . 3.520 3.007 2.504 3.587 0.067 15 0 "[ . 1 . 2]" 1
949 1 53 ASN HA 1 56 VAL MG2 . . 4.420 3.674 3.246 4.154 . 0 0 "[ . 1 . 2]" 1
950 1 53 ASN HB2 1 54 THR H . . 3.940 2.493 2.225 2.912 . 0 0 "[ . 1 . 2]" 1
951 1 53 ASN HB2 1 54 THR HA . . 4.920 4.584 4.146 5.006 0.086 5 0 "[ . 1 . 2]" 1
952 1 53 ASN HB2 1 54 THR HB . . 4.660 4.735 4.710 4.751 0.091 4 0 "[ . 1 . 2]" 1
953 1 53 ASN HB3 1 53 ASN HD21 . . 3.600 3.146 2.353 3.658 0.058 11 0 "[ . 1 . 2]" 1
954 1 53 ASN HB3 1 54 THR H . . 3.870 2.976 2.409 3.294 . 0 0 "[ . 1 . 2]" 1
955 1 53 ASN HB3 1 54 THR MG . . 5.180 5.220 4.850 5.295 0.115 2 0 "[ . 1 . 2]" 1
956 1 53 ASN HD21 1 54 THR H . . 5.500 4.824 3.976 5.359 . 0 0 "[ . 1 . 2]" 1
957 1 54 THR H 1 54 THR HB . . 3.730 2.442 2.115 2.661 . 0 0 "[ . 1 . 2]" 1
958 1 54 THR H 1 54 THR MG . . 4.250 3.692 3.631 3.795 . 0 0 "[ . 1 . 2]" 1
959 1 54 THR HA 1 54 THR MG . . 3.420 2.387 2.242 2.660 . 0 0 "[ . 1 . 2]" 1
960 1 54 THR HA 1 57 HIS H . . 4.140 3.393 2.961 3.657 . 0 0 "[ . 1 . 2]" 1
961 1 54 THR HA 1 57 HIS QB . . 3.380 3.271 2.769 3.476 0.096 9 0 "[ . 1 . 2]" 1
962 1 54 THR MG 1 57 HIS QB . . 5.090 4.497 4.018 4.942 . 0 0 "[ . 1 . 2]" 1
963 1 55 PHE H 1 56 VAL H . . 5.320 2.724 2.496 2.956 . 0 0 "[ . 1 . 2]" 1
964 1 55 PHE QD 1 98 TYR H . . 5.390 4.416 3.357 5.476 0.086 14 0 "[ . 1 . 2]" 1
965 1 55 PHE QD 1 98 TYR HA . . 4.860 4.036 2.893 4.944 0.084 15 0 "[ . 1 . 2]" 1
966 1 55 PHE QD 1 98 TYR HB3 . . 4.800 3.997 3.573 4.651 . 0 0 "[ . 1 . 2]" 1
967 1 55 PHE QE 1 98 TYR HA . . 4.810 2.994 2.380 3.815 . 0 0 "[ . 1 . 2]" 1
968 1 55 PHE QE 1 98 TYR HB2 . . 4.920 3.070 2.305 3.743 . 0 0 "[ . 1 . 2]" 1
969 1 55 PHE QE 1 98 TYR HB3 . . 4.960 4.470 3.560 5.026 0.066 17 0 "[ . 1 . 2]" 1
970 1 56 VAL H 1 56 VAL HB . . 4.070 2.348 2.215 2.482 . 0 0 "[ . 1 . 2]" 1
971 1 56 VAL H 1 56 VAL MG2 . . 4.560 2.446 2.123 3.006 . 0 0 "[ . 1 . 2]" 1
972 1 56 VAL H 1 57 HIS H . . 3.930 2.787 2.003 3.170 . 0 0 "[ . 1 . 2]" 1
973 1 56 VAL HA 1 56 VAL MG1 . . 3.550 2.559 2.488 2.680 . 0 0 "[ . 1 . 2]" 1
974 1 56 VAL HA 1 56 VAL MG2 . . 3.340 2.337 2.261 2.423 . 0 0 "[ . 1 . 2]" 1
975 1 56 VAL HA 1 59 CYS H . . 4.820 3.947 3.589 4.623 . 0 0 "[ . 1 . 2]" 1
976 1 56 VAL HA 1 59 CYS HB2 . . 5.250 4.340 3.613 5.320 0.070 15 0 "[ . 1 . 2]" 1
977 1 56 VAL HA 1 60 VAL H . . 4.570 4.125 3.888 4.633 0.063 7 0 "[ . 1 . 2]" 1
978 1 56 VAL HA 1 94 CYS HB3 . . 4.060 2.635 2.068 4.057 . 0 0 "[ . 1 . 2]" 1
979 1 56 VAL HB 1 57 HIS H . . 3.580 2.596 2.319 3.432 . 0 0 "[ . 1 . 2]" 1
980 1 56 VAL HB 1 57 HIS HA . . 4.870 4.562 4.303 4.961 0.091 19 0 "[ . 1 . 2]" 1
981 1 56 VAL MG1 1 57 HIS H . . 4.390 3.062 2.630 3.942 . 0 0 "[ . 1 . 2]" 1
982 1 56 VAL MG1 1 57 HIS HD2 . . 5.260 4.862 3.442 5.350 0.090 17 0 "[ . 1 . 2]" 1
983 1 56 VAL MG1 1 91 GLU HA . . 3.600 2.645 2.178 3.377 . 0 0 "[ . 1 . 2]" 1
984 1 56 VAL MG1 1 91 GLU HG2 . . 3.830 3.086 2.516 3.903 0.073 3 0 "[ . 1 . 2]" 1
985 1 56 VAL MG1 1 91 GLU HG3 . . 3.740 2.368 2.007 3.327 . 0 0 "[ . 1 . 2]" 1
986 1 56 VAL MG1 1 94 CYS HB3 . . 3.950 3.139 2.271 4.065 0.115 15 0 "[ . 1 . 2]" 1
987 1 56 VAL MG1 1 95 VAL H . . 4.840 3.492 3.155 4.581 . 0 0 "[ . 1 . 2]" 1
988 1 56 VAL MG2 1 57 HIS H . . 4.580 4.021 3.881 4.305 . 0 0 "[ . 1 . 2]" 1
989 1 56 VAL MG2 1 94 CYS HB3 . . 4.380 3.185 2.639 4.470 0.090 3 0 "[ . 1 . 2]" 1
990 1 56 VAL MG2 1 95 VAL MG1 . . 4.070 3.621 3.150 3.933 . 0 0 "[ . 1 . 2]" 1
991 1 56 VAL MG2 1 98 TYR H . . 5.410 4.405 3.900 5.491 0.081 15 0 "[ . 1 . 2]" 1
992 1 56 VAL MG2 1 98 TYR HB2 . . 5.370 3.658 2.848 4.731 . 0 0 "[ . 1 . 2]" 1
993 1 56 VAL MG2 1 98 TYR HB3 . . 5.350 3.522 2.981 4.549 . 0 0 "[ . 1 . 2]" 1
994 1 56 VAL MG2 1 98 TYR QD . . 5.010 4.043 3.393 4.900 . 0 0 "[ . 1 . 2]" 1
995 1 57 HIS HA 1 57 HIS HD2 . . 5.140 4.588 4.306 4.730 . 0 0 "[ . 1 . 2]" 1
996 1 57 HIS HA 1 57 HIS HE1 . . 4.940 4.539 4.302 4.670 . 0 0 "[ . 1 . 2]" 1
997 1 57 HIS HA 1 60 VAL H . . 4.170 3.095 2.782 3.510 . 0 0 "[ . 1 . 2]" 1
998 1 57 HIS HA 1 60 VAL HB . . 3.810 2.441 2.171 2.813 . 0 0 "[ . 1 . 2]" 1
999 1 57 HIS HA 1 60 VAL MG1 . . 4.790 3.875 3.459 4.297 . 0 0 "[ . 1 . 2]" 1
1000 1 57 HIS HA 1 60 VAL MG2 . . 4.230 2.781 2.153 3.632 . 0 0 "[ . 1 . 2]" 1
1001 1 57 HIS QB 1 57 HIS HD2 . . 3.700 2.587 2.534 2.672 . 0 0 "[ . 1 . 2]" 1
1002 1 57 HIS HE1 1 60 VAL MG1 . . 5.360 4.689 3.412 5.444 0.084 18 0 "[ . 1 . 2]" 1
1003 1 57 HIS HE1 1 91 GLU HB2 . . 3.830 3.726 2.638 3.914 0.084 14 0 "[ . 1 . 2]" 1
1004 1 57 HIS HE1 1 91 GLU HG3 . . 4.370 3.529 2.600 4.415 0.045 7 0 "[ . 1 . 2]" 1
1005 1 58 ASP H 1 60 VAL H . . 5.190 3.939 3.714 4.258 . 0 0 "[ . 1 . 2]" 1
1006 1 58 ASP H 1 61 ASN H . . 4.520 4.559 4.334 4.606 0.086 19 0 "[ . 1 . 2]" 1
1007 1 58 ASP HA 1 61 ASN H . . 3.990 3.236 3.049 3.604 . 0 0 "[ . 1 . 2]" 1
1008 1 58 ASP HA 1 61 ASN HB2 . . 3.400 2.446 2.000 2.955 . 0 0 "[ . 1 . 2]" 1
1009 1 58 ASP HA 1 61 ASN HB3 . . 3.520 3.340 3.030 3.595 0.075 1 0 "[ . 1 . 2]" 1
1010 1 58 ASP HA 1 61 ASN HD21 . . 4.660 3.761 2.451 4.575 . 0 0 "[ . 1 . 2]" 1
1011 1 58 ASP HA 1 61 ASN HD22 . . 5.400 5.224 4.090 5.478 0.078 13 0 "[ . 1 . 2]" 1
1012 1 59 CYS H 1 59 CYS HB2 . . 3.640 3.034 2.589 3.696 0.056 17 0 "[ . 1 . 2]" 1
1013 1 59 CYS H 1 60 VAL H . . 3.630 2.733 2.514 2.882 . 0 0 "[ . 1 . 2]" 1
1014 1 59 CYS H 1 61 ASN H . . 5.320 4.195 4.011 4.410 . 0 0 "[ . 1 . 2]" 1
1015 1 59 CYS HA 1 62 ILE HB . . 4.430 2.745 2.330 3.196 . 0 0 "[ . 1 . 2]" 1
1016 1 59 CYS HA 1 62 ILE MG . . 4.170 3.793 2.941 4.186 0.016 2 0 "[ . 1 . 2]" 1
1017 1 59 CYS HA 1 63 THR H . . 5.040 3.854 3.506 4.207 . 0 0 "[ . 1 . 2]" 1
1018 1 59 CYS HB2 1 60 VAL H . . 3.930 3.947 3.647 4.140 0.210 20 0 "[ . 1 . 2]" 1
1019 1 59 CYS HB2 1 60 VAL MG2 . . 5.500 4.794 4.290 5.339 . 0 0 "[ . 1 . 2]" 1
1020 1 59 CYS HB3 1 60 VAL H . . 5.380 3.145 2.513 4.297 . 0 0 "[ . 1 . 2]" 1
1021 1 60 VAL H 1 60 VAL HB . . 3.030 2.478 2.301 2.722 . 0 0 "[ . 1 . 2]" 1
1022 1 60 VAL H 1 60 VAL MG1 . . 4.070 3.776 3.728 3.850 . 0 0 "[ . 1 . 2]" 1
1023 1 60 VAL H 1 60 VAL MG2 . . 3.370 2.227 2.006 2.398 . 0 0 "[ . 1 . 2]" 1
1024 1 60 VAL H 1 61 ASN H . . 3.460 2.752 2.656 2.896 . 0 0 "[ . 1 . 2]" 1
1025 1 60 VAL H 1 61 ASN HB2 . . 4.600 4.644 4.415 4.676 0.076 17 0 "[ . 1 . 2]" 1
1026 1 60 VAL H 1 90 VAL QG . . 4.900 3.989 3.707 4.493 . 0 0 "[ . 1 . 2]" 1
1027 1 60 VAL HA 1 60 VAL MG1 . . 3.210 2.447 2.197 2.606 . 0 0 "[ . 1 . 2]" 1
1028 1 60 VAL HA 1 60 VAL MG2 . . 3.560 2.433 2.255 2.534 . 0 0 "[ . 1 . 2]" 1
1029 1 60 VAL HA 1 63 THR H . . 4.420 3.491 3.279 3.699 . 0 0 "[ . 1 . 2]" 1
1030 1 60 VAL HA 1 63 THR HB . . 3.970 2.911 2.660 3.058 . 0 0 "[ . 1 . 2]" 1
1031 1 60 VAL HA 1 63 THR MG . . 4.290 4.314 4.005 4.388 0.098 8 0 "[ . 1 . 2]" 1
1032 1 60 VAL HA 1 64 ILE H . . 4.890 3.854 3.585 4.017 . 0 0 "[ . 1 . 2]" 1
1033 1 60 VAL HA 1 64 ILE MD . . 5.100 4.142 3.825 4.463 . 0 0 "[ . 1 . 2]" 1
1034 1 60 VAL HA 1 64 ILE HG12 . . 5.440 5.434 5.164 5.678 0.238 16 0 "[ . 1 . 2]" 1
1035 1 60 VAL HA 1 90 VAL QG . . 2.990 2.039 1.908 2.549 . 0 0 "[ . 1 . 2]" 1
1036 1 60 VAL HB 1 61 ASN H . . 3.190 2.598 2.442 2.851 . 0 0 "[ . 1 . 2]" 1
1037 1 60 VAL MG1 1 61 ASN H . . 4.080 3.375 3.133 3.599 . 0 0 "[ . 1 . 2]" 1
1038 1 60 VAL MG1 1 61 ASN HA . . 3.890 3.515 3.209 3.798 . 0 0 "[ . 1 . 2]" 1
1039 1 60 VAL MG1 1 61 ASN HB2 . . 5.230 4.760 4.376 5.125 . 0 0 "[ . 1 . 2]" 1
1040 1 60 VAL MG1 1 63 THR H . . 5.270 4.857 4.572 5.199 . 0 0 "[ . 1 . 2]" 1
1041 1 60 VAL MG1 1 63 THR HB . . 4.690 4.187 3.787 4.443 . 0 0 "[ . 1 . 2]" 1
1042 1 60 VAL MG1 1 64 ILE H . . 4.870 4.013 3.793 4.211 . 0 0 "[ . 1 . 2]" 1
1043 1 60 VAL MG1 1 64 ILE MD . . 3.270 2.114 1.970 2.288 . 0 0 "[ . 1 . 2]" 1
1044 1 60 VAL MG1 1 64 ILE HG12 . . 4.360 3.948 3.612 4.126 . 0 0 "[ . 1 . 2]" 1
1045 1 60 VAL MG1 1 87 GLU HA . . 3.980 2.343 2.004 3.059 . 0 0 "[ . 1 . 2]" 1
1046 1 60 VAL MG1 1 87 GLU HB3 . . 4.900 4.087 3.364 4.659 . 0 0 "[ . 1 . 2]" 1
1047 1 60 VAL MG1 1 87 GLU HG3 . . 4.570 3.148 2.107 3.800 . 0 0 "[ . 1 . 2]" 1
1048 1 60 VAL MG1 1 90 VAL QG . . 4.140 2.490 2.113 3.048 . 0 0 "[ . 1 . 2]" 1
1049 1 60 VAL MG2 1 61 ASN H . . 4.490 3.943 3.740 4.083 . 0 0 "[ . 1 . 2]" 1
1050 1 60 VAL MG2 1 64 ILE MD . . 4.490 4.183 3.846 4.588 0.098 16 0 "[ . 1 . 2]" 1
1051 1 60 VAL MG2 1 90 VAL H . . 5.500 4.410 4.033 4.967 . 0 0 "[ . 1 . 2]" 1
1052 1 60 VAL MG2 1 91 GLU H . . 4.300 2.899 2.657 3.177 . 0 0 "[ . 1 . 2]" 1
1053 1 60 VAL MG2 1 91 GLU HA . . 2.940 2.175 1.998 2.402 . 0 0 "[ . 1 . 2]" 1
1054 1 60 VAL MG2 1 91 GLU HB2 . . 4.440 2.623 2.263 3.394 . 0 0 "[ . 1 . 2]" 1
1055 1 60 VAL MG2 1 91 GLU HB3 . . 4.300 3.853 3.612 4.384 0.084 15 0 "[ . 1 . 2]" 1
1056 1 60 VAL MG2 1 93 MET H . . 5.500 5.114 4.655 5.565 0.065 20 0 "[ . 1 . 2]" 1
1057 1 60 VAL MG2 1 94 CYS HB2 . . 4.620 3.142 2.699 4.204 . 0 0 "[ . 1 . 2]" 1
1058 1 60 VAL MG2 1 94 CYS HB3 . . 4.360 3.400 2.486 4.334 . 0 0 "[ . 1 . 2]" 1
1059 1 61 ASN H 1 61 ASN HB2 . . 3.140 2.156 2.093 2.213 . 0 0 "[ . 1 . 2]" 1
1060 1 61 ASN H 1 61 ASN HB3 . . 3.390 3.229 3.028 3.468 0.078 1 0 "[ . 1 . 2]" 1
1061 1 61 ASN H 1 62 ILE H . . 3.780 2.869 2.740 2.990 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ASN H 1 62 ILE HB . . 5.180 4.798 4.580 4.942 . 0 0 "[ . 1 . 2]" 1
1063 1 61 ASN H 1 63 THR H . . 5.120 4.289 4.120 4.617 . 0 0 "[ . 1 . 2]" 1
1064 1 61 ASN H 1 90 VAL QG . . 5.500 4.905 4.690 5.416 . 0 0 "[ . 1 . 2]" 1
1065 1 61 ASN HA 1 61 ASN HD21 . . 4.730 4.233 2.385 4.475 . 0 0 "[ . 1 . 2]" 1
1066 1 61 ASN HA 1 61 ASN HD22 . . 5.060 4.420 3.498 4.637 . 0 0 "[ . 1 . 2]" 1
1067 1 61 ASN HA 1 62 ILE HA . . 4.820 4.788 4.673 4.876 0.056 18 0 "[ . 1 . 2]" 1
1068 1 61 ASN HA 1 64 ILE H . . 4.370 3.866 3.554 4.267 . 0 0 "[ . 1 . 2]" 1
1069 1 61 ASN HA 1 64 ILE HB . . 3.980 3.230 2.771 3.681 . 0 0 "[ . 1 . 2]" 1
1070 1 61 ASN HA 1 64 ILE MD . . 4.610 3.460 2.763 4.380 . 0 0 "[ . 1 . 2]" 1
1071 1 61 ASN HA 1 64 ILE MG . . 5.100 4.507 4.116 4.993 . 0 0 "[ . 1 . 2]" 1
1072 1 61 ASN HB2 1 62 ILE HB . . 5.500 5.212 4.482 5.569 0.069 4 0 "[ . 1 . 2]" 1
1073 1 61 ASN HB2 1 62 ILE MD . . 5.360 5.009 2.813 5.463 0.103 18 0 "[ . 1 . 2]" 1
1074 1 61 ASN HB3 1 62 ILE H . . 4.590 2.550 2.264 2.848 . 0 0 "[ . 1 . 2]" 1
1075 1 61 ASN HB3 1 62 ILE MD . . 4.470 3.759 2.324 4.450 . 0 0 "[ . 1 . 2]" 1
1076 1 61 ASN HB3 1 65 LYS QD . . 4.370 4.286 2.905 4.475 0.105 5 0 "[ . 1 . 2]" 1
1077 1 61 ASN HB3 1 65 LYS QE . . 2.400 2.433 2.281 2.492 0.092 9 0 "[ . 1 . 2]" 1
1078 1 61 ASN HD21 1 62 ILE MD . . 5.420 5.258 4.326 5.529 0.109 15 0 "[ . 1 . 2]" 1
1079 1 62 ILE H 1 62 ILE HB . . 4.030 2.255 2.092 2.443 . 0 0 "[ . 1 . 2]" 1
1080 1 62 ILE H 1 62 ILE MD . . 5.500 3.497 2.238 3.969 . 0 0 "[ . 1 . 2]" 1
1081 1 62 ILE H 1 62 ILE QG . . 4.340 2.595 2.262 3.926 . 0 0 "[ . 1 . 2]" 1
1082 1 62 ILE H 1 63 THR H . . 4.110 2.818 2.684 2.977 . 0 0 "[ . 1 . 2]" 1
1083 1 62 ILE HA 1 62 ILE MD . . 3.250 2.102 1.981 2.347 . 0 0 "[ . 1 . 2]" 1
1084 1 62 ILE HA 1 62 ILE QG . . 4.020 2.685 2.199 3.102 . 0 0 "[ . 1 . 2]" 1
1085 1 62 ILE HA 1 62 ILE MG . . 3.560 2.673 2.497 3.119 . 0 0 "[ . 1 . 2]" 1
1086 1 62 ILE HA 1 65 LYS H . . 3.580 3.504 3.210 3.646 0.066 19 0 "[ . 1 . 2]" 1
1087 1 62 ILE HA 1 65 LYS QB . . 3.240 2.377 2.105 2.615 . 0 0 "[ . 1 . 2]" 1
1088 1 62 ILE HA 1 65 LYS QD . . 4.410 4.122 3.548 4.457 0.047 7 0 "[ . 1 . 2]" 1
1089 1 62 ILE HA 1 65 LYS HG3 . . 4.820 4.318 3.978 4.909 0.089 9 0 "[ . 1 . 2]" 1
1090 1 62 ILE HB 1 62 ILE MD . . 3.430 3.132 2.202 3.315 . 0 0 "[ . 1 . 2]" 1
1091 1 62 ILE HB 1 63 THR H . . 3.610 2.830 2.547 3.464 . 0 0 "[ . 1 . 2]" 1
1092 1 62 ILE HB 1 63 THR HA . . 4.830 4.571 4.353 4.902 0.072 9 0 "[ . 1 . 2]" 1
1093 1 62 ILE MD 1 62 ILE MG . . 3.370 2.258 2.010 3.220 . 0 0 "[ . 1 . 2]" 1
1094 1 62 ILE MD 1 63 THR HA . . 5.500 5.590 5.448 5.635 0.135 1 0 "[ . 1 . 2]" 1
1095 1 62 ILE MD 1 65 LYS QB . . 4.750 3.336 2.960 3.721 . 0 0 "[ . 1 . 2]" 1
1096 1 62 ILE MD 1 65 LYS QD . . 4.240 3.988 3.468 4.351 0.111 16 0 "[ . 1 . 2]" 1
1097 1 62 ILE MD 1 65 LYS QE . . 4.090 2.368 1.979 3.227 . 0 0 "[ . 1 . 2]" 1
1098 1 62 ILE QG 1 63 THR H . . 4.860 4.346 4.192 4.737 . 0 0 "[ . 1 . 2]" 1
1099 1 62 ILE MG 1 63 THR H . . 4.030 3.077 2.593 3.423 . 0 0 "[ . 1 . 2]" 1
1100 1 62 ILE MG 1 63 THR HA . . 4.100 3.059 2.669 3.381 . 0 0 "[ . 1 . 2]" 1
1101 1 62 ILE MG 1 63 THR HB . . 5.260 4.811 4.211 5.214 . 0 0 "[ . 1 . 2]" 1
1102 1 62 ILE MG 1 65 LYS QE . . 4.540 4.221 3.875 4.654 0.114 1 0 "[ . 1 . 2]" 1
1103 1 62 ILE MG 1 66 GLN H . . 5.390 4.521 4.170 4.878 . 0 0 "[ . 1 . 2]" 1
1104 1 62 ILE MG 1 66 GLN HE21 . . 5.500 3.929 2.508 5.093 . 0 0 "[ . 1 . 2]" 1
1105 1 62 ILE MG 1 66 GLN HG2 . . 4.410 3.154 2.230 4.160 . 0 0 "[ . 1 . 2]" 1
1106 1 62 ILE MG 1 66 GLN HG3 . . 5.010 3.203 2.661 4.507 . 0 0 "[ . 1 . 2]" 1
1107 1 63 THR H 1 63 THR HB . . 3.200 2.593 2.467 2.718 . 0 0 "[ . 1 . 2]" 1
1108 1 63 THR H 1 64 ILE H . . 3.480 2.775 2.614 3.004 . 0 0 "[ . 1 . 2]" 1
1109 1 63 THR H 1 64 ILE HB . . 5.260 4.946 4.693 5.222 . 0 0 "[ . 1 . 2]" 1
1110 1 63 THR H 1 90 VAL QG . . 4.780 3.900 3.703 4.329 . 0 0 "[ . 1 . 2]" 1
1111 1 63 THR HA 1 63 THR MG . . 3.340 2.464 2.368 2.527 . 0 0 "[ . 1 . 2]" 1
1112 1 63 THR HA 1 66 GLN HB2 . . 3.650 2.475 2.128 2.799 . 0 0 "[ . 1 . 2]" 1
1113 1 63 THR HA 1 66 GLN HB3 . . 4.710 4.028 3.597 4.425 . 0 0 "[ . 1 . 2]" 1
1114 1 63 THR HA 1 66 GLN HG2 . . 4.950 4.007 2.434 4.795 . 0 0 "[ . 1 . 2]" 1
1115 1 63 THR HB 1 64 ILE H . . 3.610 2.756 2.533 2.874 . 0 0 "[ . 1 . 2]" 1
1116 1 63 THR HB 1 64 ILE MD . . 4.830 4.772 4.403 4.923 0.093 20 0 "[ . 1 . 2]" 1
1117 1 63 THR HB 1 90 VAL QG . . 3.470 2.107 1.963 2.505 . 0 0 "[ . 1 . 2]" 1
1118 1 63 THR MG 1 64 ILE H . . 4.650 3.762 3.585 3.850 . 0 0 "[ . 1 . 2]" 1
1119 1 63 THR MG 1 64 ILE HA . . 4.310 3.922 3.627 4.151 . 0 0 "[ . 1 . 2]" 1
1120 1 63 THR MG 1 67 HIS H . . 5.130 3.647 3.410 3.979 . 0 0 "[ . 1 . 2]" 1
1121 1 63 THR MG 1 67 HIS QB . . 4.920 3.048 2.720 3.495 . 0 0 "[ . 1 . 2]" 1
1122 1 63 THR MG 1 67 HIS HD2 . . 4.030 3.863 2.774 4.124 0.094 3 0 "[ . 1 . 2]" 1
1123 1 63 THR MG 1 90 VAL HB . . 5.500 4.565 3.115 5.129 . 0 0 "[ . 1 . 2]" 1
1124 1 63 THR MG 1 90 VAL QG . . 3.580 2.309 2.160 2.621 . 0 0 "[ . 1 . 2]" 1
1125 1 64 ILE H 1 64 ILE HB . . 3.100 2.445 2.342 2.609 . 0 0 "[ . 1 . 2]" 1
1126 1 64 ILE H 1 64 ILE MD . . 4.500 3.581 3.282 3.823 . 0 0 "[ . 1 . 2]" 1
1127 1 64 ILE H 1 64 ILE HG12 . . 3.660 3.570 3.407 3.658 . 0 0 "[ . 1 . 2]" 1
1128 1 64 ILE H 1 64 ILE HG13 . . 3.830 2.288 2.135 2.479 . 0 0 "[ . 1 . 2]" 1
1129 1 64 ILE H 1 64 ILE MG . . 4.150 3.789 3.761 3.858 . 0 0 "[ . 1 . 2]" 1
1130 1 64 ILE H 1 65 LYS H . . 3.450 2.719 2.577 2.836 . 0 0 "[ . 1 . 2]" 1
1131 1 64 ILE HA 1 64 ILE MD . . 3.980 3.854 3.763 3.932 . 0 0 "[ . 1 . 2]" 1
1132 1 64 ILE HA 1 64 ILE HG12 . . 4.010 2.501 2.322 2.653 . 0 0 "[ . 1 . 2]" 1
1133 1 64 ILE HA 1 64 ILE HG13 . . 3.900 2.909 2.806 3.057 . 0 0 "[ . 1 . 2]" 1
1134 1 64 ILE HA 1 64 ILE MG . . 3.280 2.477 2.395 2.578 . 0 0 "[ . 1 . 2]" 1
1135 1 64 ILE HA 1 66 GLN H . . 4.460 3.733 3.375 4.069 . 0 0 "[ . 1 . 2]" 1
1136 1 64 ILE HA 1 67 HIS H . . 4.130 3.479 3.170 3.889 . 0 0 "[ . 1 . 2]" 1
1137 1 64 ILE HA 1 67 HIS QB . . 3.890 3.210 2.789 3.972 0.082 1 0 "[ . 1 . 2]" 1
1138 1 64 ILE HA 1 68 THR H . . 5.050 3.620 3.088 3.890 . 0 0 "[ . 1 . 2]" 1
1139 1 64 ILE HA 1 68 THR MG . . 4.900 3.946 3.230 5.008 0.108 8 0 "[ . 1 . 2]" 1
1140 1 64 ILE HA 1 86 MET ME . . 3.940 3.693 3.262 4.032 0.092 18 0 "[ . 1 . 2]" 1
1141 1 64 ILE HB 1 65 LYS H . . 3.480 2.704 2.438 3.539 0.059 1 0 "[ . 1 . 2]" 1
1142 1 64 ILE HB 1 65 LYS HG3 . . 5.010 3.814 3.351 4.659 . 0 0 "[ . 1 . 2]" 1
1143 1 64 ILE MD 1 64 ILE MG . . 2.830 2.106 2.068 2.141 . 0 0 "[ . 1 . 2]" 1
1144 1 64 ILE MD 1 65 LYS H . . 5.500 4.695 4.340 5.342 . 0 0 "[ . 1 . 2]" 1
1145 1 64 ILE MD 1 83 VAL HA . . 4.660 3.879 3.425 4.767 0.107 10 0 "[ . 1 . 2]" 1
1146 1 64 ILE MD 1 86 MET HB3 . . 4.640 3.091 2.282 4.366 . 0 0 "[ . 1 . 2]" 1
1147 1 64 ILE MD 1 86 MET ME . . 3.660 3.057 2.305 3.728 0.068 13 0 "[ . 1 . 2]" 1
1148 1 64 ILE MD 1 86 MET HG2 . . 4.780 3.615 2.379 4.442 . 0 0 "[ . 1 . 2]" 1
1149 1 64 ILE MD 1 87 GLU H . . 4.410 3.213 2.942 3.943 . 0 0 "[ . 1 . 2]" 1
1150 1 64 ILE MD 1 87 GLU HA . . 3.080 2.389 2.111 2.748 . 0 0 "[ . 1 . 2]" 1
1151 1 64 ILE MD 1 87 GLU HB2 . . 4.570 3.486 3.220 3.882 . 0 0 "[ . 1 . 2]" 1
1152 1 64 ILE MD 1 87 GLU HG2 . . 3.680 3.008 2.228 3.761 0.081 2 0 "[ . 1 . 2]" 1
1153 1 64 ILE MD 1 87 GLU HG3 . . 3.990 2.917 2.108 3.645 . 0 0 "[ . 1 . 2]" 1
1154 1 64 ILE MD 1 88 ARG H . . 5.500 5.240 4.906 5.600 0.100 20 0 "[ . 1 . 2]" 1
1155 1 64 ILE MD 1 90 VAL H . . 5.500 4.702 3.860 5.555 0.055 16 0 "[ . 1 . 2]" 1
1156 1 64 ILE MD 1 90 VAL HB . . 4.650 3.598 2.590 4.745 0.095 10 0 "[ . 1 . 2]" 1
1157 1 64 ILE MD 1 90 VAL QG . . 4.540 3.133 2.215 3.959 . 0 0 "[ . 1 . 2]" 1
1158 1 64 ILE HG12 1 90 VAL QG . . 4.540 3.182 2.458 4.035 . 0 0 "[ . 1 . 2]" 1
1159 1 64 ILE HG13 1 65 LYS H . . 5.070 4.442 4.255 4.687 . 0 0 "[ . 1 . 2]" 1
1160 1 64 ILE HG13 1 86 MET HG2 . . 4.940 4.214 3.324 4.844 . 0 0 "[ . 1 . 2]" 1
1161 1 64 ILE MG 1 65 LYS H . . 4.210 3.393 3.112 4.022 . 0 0 "[ . 1 . 2]" 1
1162 1 64 ILE MG 1 68 THR H . . 5.470 3.947 3.726 4.586 . 0 0 "[ . 1 . 2]" 1
1163 1 64 ILE MG 1 68 THR HB . . 5.050 4.473 3.060 5.139 0.089 6 0 "[ . 1 . 2]" 1
1164 1 64 ILE MG 1 68 THR MG . . 3.170 2.660 2.251 3.305 0.135 11 0 "[ . 1 . 2]" 1
1165 1 64 ILE MG 1 83 VAL HA . . 4.690 3.699 3.515 4.083 . 0 0 "[ . 1 . 2]" 1
1166 1 64 ILE MG 1 83 VAL MG1 . . 3.680 2.253 2.058 2.588 . 0 0 "[ . 1 . 2]" 1
1167 1 64 ILE MG 1 86 MET HB3 . . 5.370 4.049 3.508 4.658 . 0 0 "[ . 1 . 2]" 1
1168 1 64 ILE MG 1 86 MET ME . . 3.320 2.350 2.111 2.877 . 0 0 "[ . 1 . 2]" 1
1169 1 64 ILE MG 1 87 GLU H . . 5.210 5.180 4.889 5.315 0.105 20 0 "[ . 1 . 2]" 1
1170 1 65 LYS H 1 65 LYS QB . . 3.220 2.314 2.209 2.377 . 0 0 "[ . 1 . 2]" 1
1171 1 65 LYS H 1 65 LYS HG3 . . 4.780 2.555 2.240 3.302 . 0 0 "[ . 1 . 2]" 1
1172 1 65 LYS H 1 66 GLN H . . 3.350 2.866 2.268 3.008 . 0 0 "[ . 1 . 2]" 1
1173 1 65 LYS HA 1 65 LYS QD . . 3.860 3.924 3.581 3.958 0.098 18 0 "[ . 1 . 2]" 1
1174 1 65 LYS HA 1 65 LYS QE . . 5.010 4.441 4.340 4.506 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LYS HA 1 65 LYS HG2 . . 3.940 2.480 2.329 3.291 . 0 0 "[ . 1 . 2]" 1
1176 1 65 LYS HA 1 65 LYS HG3 . . 3.700 2.756 2.150 2.963 . 0 0 "[ . 1 . 2]" 1
1177 1 65 LYS HA 1 68 THR H . . 4.550 4.054 3.784 4.541 . 0 0 "[ . 1 . 2]" 1
1178 1 65 LYS QB 1 65 LYS QD . . 3.370 2.385 2.246 2.643 . 0 0 "[ . 1 . 2]" 1
1179 1 65 LYS QE 1 65 LYS HG3 . . 3.390 2.551 2.208 3.444 0.054 9 0 "[ . 1 . 2]" 1
1180 1 66 GLN H 1 66 GLN HB2 . . 3.580 2.330 2.130 2.556 . 0 0 "[ . 1 . 2]" 1
1181 1 66 GLN H 1 66 GLN HB3 . . 3.550 3.504 3.325 3.617 0.067 19 0 "[ . 1 . 2]" 1
1182 1 66 GLN H 1 66 GLN HG2 . . 3.720 3.351 2.806 4.205 0.485 18 0 "[ . 1 . 2]" 1
1183 1 66 GLN H 1 66 GLN HG3 . . 4.120 4.077 3.628 4.208 0.088 9 0 "[ . 1 . 2]" 1
1184 1 66 GLN H 1 67 HIS H . . 3.560 2.422 2.031 2.784 . 0 0 "[ . 1 . 2]" 1
1185 1 66 GLN H 1 70 THR H . . 5.500 5.569 5.392 5.594 0.094 18 0 "[ . 1 . 2]" 1
1186 1 66 GLN HA 1 66 GLN HE21 . . 5.370 4.257 3.078 4.785 . 0 0 "[ . 1 . 2]" 1
1187 1 66 GLN HA 1 66 GLN HE22 . . 5.120 4.345 3.065 4.842 . 0 0 "[ . 1 . 2]" 1
1188 1 66 GLN HA 1 66 GLN HG2 . . 3.650 2.773 2.184 3.695 0.045 19 0 "[ . 1 . 2]" 1
1189 1 66 GLN HA 1 66 GLN HG3 . . 3.910 3.396 2.146 3.638 . 0 0 "[ . 1 . 2]" 1
1190 1 66 GLN HA 1 69 VAL HB . . 3.410 3.268 2.825 3.480 0.070 5 0 "[ . 1 . 2]" 1
1191 1 66 GLN HA 1 69 VAL MG2 . . 3.940 3.818 3.455 4.020 0.080 18 0 "[ . 1 . 2]" 1
1192 1 66 GLN HA 1 70 THR HB . . 4.770 4.333 3.811 4.831 0.061 2 0 "[ . 1 . 2]" 1
1193 1 66 GLN HB2 1 66 GLN HE21 . . 4.620 4.096 3.202 4.607 . 0 0 "[ . 1 . 2]" 1
1194 1 66 GLN HB2 1 67 HIS H . . 4.360 2.596 2.311 2.932 . 0 0 "[ . 1 . 2]" 1
1195 1 66 GLN HB2 1 67 HIS HA . . 5.000 4.700 4.164 5.054 0.054 10 0 "[ . 1 . 2]" 1
1196 1 66 GLN HB3 1 67 HIS H . . 4.020 3.111 2.624 3.612 . 0 0 "[ . 1 . 2]" 1
1197 1 66 GLN HG2 1 67 HIS H . . 5.110 4.698 4.212 4.977 . 0 0 "[ . 1 . 2]" 1
1198 1 67 HIS H 1 67 HIS QB . . 3.330 2.118 2.040 2.248 . 0 0 "[ . 1 . 2]" 1
1199 1 67 HIS H 1 68 THR H . . 3.720 2.922 2.630 3.240 . 0 0 "[ . 1 . 2]" 1
1200 1 67 HIS H 1 70 THR MG . . 5.430 5.009 4.402 5.426 . 0 0 "[ . 1 . 2]" 1
1201 1 67 HIS HA 1 67 HIS HD2 . . 4.700 3.158 2.619 3.737 . 0 0 "[ . 1 . 2]" 1
1202 1 67 HIS HA 1 70 THR H . . 4.270 3.392 3.126 3.645 . 0 0 "[ . 1 . 2]" 1
1203 1 67 HIS HA 1 70 THR HB . . 3.850 2.345 1.953 3.903 0.053 14 0 "[ . 1 . 2]" 1
1204 1 67 HIS HA 1 70 THR MG . . 4.620 2.940 2.445 3.614 . 0 0 "[ . 1 . 2]" 1
1205 1 67 HIS HA 1 71 THR H . . 4.920 4.225 3.780 4.618 . 0 0 "[ . 1 . 2]" 1
1206 1 67 HIS HA 1 71 THR MG . . 5.080 5.169 5.110 5.197 0.117 10 0 "[ . 1 . 2]" 1
1207 1 67 HIS QB 1 68 THR HA . . 4.890 4.294 3.910 4.668 . 0 0 "[ . 1 . 2]" 1
1208 1 67 HIS QB 1 68 THR MG . . 5.380 4.132 3.333 5.136 . 0 0 "[ . 1 . 2]" 1
1209 1 67 HIS QB 1 78 PHE QE . . 4.210 3.430 2.736 4.305 0.095 6 0 "[ . 1 . 2]" 1
1210 1 67 HIS HE1 1 71 THR MG . . 4.690 4.002 2.970 4.781 0.091 7 0 "[ . 1 . 2]" 1
1211 1 68 THR H 1 68 THR HB . . 3.490 3.341 2.650 3.565 0.075 5 0 "[ . 1 . 2]" 1
1212 1 68 THR H 1 68 THR MG . . 4.090 2.745 2.212 3.873 . 0 0 "[ . 1 . 2]" 1
1213 1 68 THR H 1 69 VAL H . . 3.580 2.947 2.146 3.122 . 0 0 "[ . 1 . 2]" 1
1214 1 68 THR H 1 69 VAL HB . . 5.290 5.108 4.465 5.345 0.055 5 0 "[ . 1 . 2]" 1
1215 1 68 THR H 1 69 VAL MG2 . . 5.500 4.388 4.028 4.622 . 0 0 "[ . 1 . 2]" 1
1216 1 68 THR H 1 70 THR H . . 4.010 3.976 3.731 4.087 0.077 11 0 "[ . 1 . 2]" 1
1217 1 68 THR HA 1 68 THR HB . . 3.030 2.635 2.452 3.057 0.027 11 0 "[ . 1 . 2]" 1
1218 1 68 THR HA 1 68 THR MG . . 3.300 2.338 2.264 2.398 . 0 0 "[ . 1 . 2]" 1
1219 1 68 THR HA 1 69 VAL MG2 . . 4.950 4.962 4.801 5.055 0.105 16 0 "[ . 1 . 2]" 1
1220 1 68 THR HA 1 72 THR H . . 2.950 3.037 2.986 3.064 0.114 14 0 "[ . 1 . 2]" 1
1221 1 68 THR HA 1 72 THR HB . . 3.910 3.843 3.463 3.991 0.081 18 0 "[ . 1 . 2]" 1
1222 1 68 THR HA 1 78 PHE QD . . 4.860 2.774 2.043 3.646 . 0 0 "[ . 1 . 2]" 1
1223 1 68 THR HA 1 78 PHE QE . . 3.700 3.623 3.185 3.797 0.097 18 0 "[ . 1 . 2]" 1
1224 1 68 THR HA 1 86 MET ME . . 5.440 4.860 4.422 5.534 0.094 20 0 "[ . 1 . 2]" 1
1225 1 68 THR HB 1 69 VAL H . . 3.440 3.072 2.495 3.528 0.088 14 0 "[ . 1 . 2]" 1
1226 1 68 THR HB 1 69 VAL MG2 . . 4.340 3.751 3.273 4.163 . 0 0 "[ . 1 . 2]" 1
1227 1 68 THR MG 1 78 PHE HB2 . . 5.140 2.775 2.103 3.625 . 0 0 "[ . 1 . 2]" 1
1228 1 68 THR MG 1 78 PHE QD . . 4.980 2.648 2.303 3.135 . 0 0 "[ . 1 . 2]" 1
1229 1 68 THR MG 1 78 PHE QE . . 3.980 3.915 3.435 4.097 0.117 7 0 "[ . 1 . 2]" 1
1230 1 69 VAL H 1 69 VAL HB . . 2.980 2.627 2.390 2.818 . 0 0 "[ . 1 . 2]" 1
1231 1 69 VAL H 1 69 VAL MG2 . . 3.260 2.018 1.816 2.950 . 0 0 "[ . 1 . 2]" 1
1232 1 69 VAL H 1 70 THR H . . 3.050 2.797 2.093 3.117 0.067 13 0 "[ . 1 . 2]" 1
1233 1 69 VAL HA 1 69 VAL HB . . 2.970 3.025 3.014 3.034 0.064 18 0 "[ . 1 . 2]" 1
1234 1 69 VAL HA 1 69 VAL MG1 . . 2.860 2.344 2.235 2.530 . 0 0 "[ . 1 . 2]" 1
1235 1 69 VAL HA 1 69 VAL MG2 . . 2.730 2.401 2.186 2.503 . 0 0 "[ . 1 . 2]" 1
1236 1 69 VAL HA 1 70 THR H . . 3.400 3.473 3.458 3.491 0.091 14 0 "[ . 1 . 2]" 1
1237 1 69 VAL HA 1 71 THR H . . 4.490 3.885 3.687 4.283 . 0 0 "[ . 1 . 2]" 1
1238 1 69 VAL HA 1 72 THR H . . 4.340 3.878 3.738 4.049 . 0 0 "[ . 1 . 2]" 1
1239 1 69 VAL HA 1 72 THR HB . . 3.850 2.933 2.601 3.093 . 0 0 "[ . 1 . 2]" 1
1240 1 69 VAL HA 1 73 THR H . . 4.940 3.611 3.286 4.387 . 0 0 "[ . 1 . 2]" 1
1241 1 69 VAL HA 1 73 THR HB . . 4.500 3.229 2.847 3.691 . 0 0 "[ . 1 . 2]" 1
1242 1 69 VAL HA 1 73 THR MG . . 4.300 4.178 4.014 4.379 0.079 14 0 "[ . 1 . 2]" 1
1243 1 69 VAL HB 1 70 THR H . . 3.200 2.789 2.557 3.033 . 0 0 "[ . 1 . 2]" 1
1244 1 69 VAL HB 1 70 THR HB . . 4.480 4.473 3.892 4.569 0.089 19 0 "[ . 1 . 2]" 1
1245 1 69 VAL HB 1 71 THR H . . 5.000 4.980 4.794 5.083 0.083 9 0 "[ . 1 . 2]" 1
1246 1 69 VAL MG1 1 70 THR H . . 3.950 3.658 3.272 3.928 . 0 0 "[ . 1 . 2]" 1
1247 1 69 VAL MG1 1 70 THR HA . . 3.910 3.607 2.770 3.953 0.043 17 0 "[ . 1 . 2]" 1
1248 1 69 VAL MG1 1 71 THR H . . 4.920 4.741 4.602 5.003 0.083 11 0 "[ . 1 . 2]" 1
1249 1 69 VAL MG1 1 72 THR H . . 5.500 5.342 5.215 5.529 0.029 9 0 "[ . 1 . 2]" 1
1250 1 69 VAL MG1 1 72 THR HB . . 4.570 4.640 4.434 4.690 0.120 9 0 "[ . 1 . 2]" 1
1251 1 69 VAL MG1 1 73 THR HB . . 4.850 2.831 2.537 3.482 . 0 0 "[ . 1 . 2]" 1
1252 1 69 VAL MG2 1 73 THR HB . . 4.480 4.567 4.534 4.600 0.120 9 0 "[ . 1 . 2]" 1
1253 1 70 THR H 1 70 THR HB . . 2.880 2.137 2.016 2.220 . 0 0 "[ . 1 . 2]" 1
1254 1 70 THR H 1 70 THR MG . . 3.610 3.574 2.926 3.691 0.081 13 0 "[ . 1 . 2]" 1
1255 1 70 THR H 1 71 THR H . . 3.430 2.658 2.509 2.743 . 0 0 "[ . 1 . 2]" 1
1256 1 70 THR H 1 72 THR H . . 4.220 4.302 4.291 4.312 0.092 10 0 "[ . 1 . 2]" 1
1257 1 70 THR H 1 72 THR HB . . 5.250 5.212 4.953 5.328 0.078 18 0 "[ . 1 . 2]" 1
1258 1 70 THR MG 1 71 THR H . . 4.060 3.582 2.828 3.996 . 0 0 "[ . 1 . 2]" 1
1259 1 71 THR H 1 71 THR HB . . 3.300 2.802 2.506 3.178 . 0 0 "[ . 1 . 2]" 1
1260 1 71 THR H 1 72 THR H . . 3.100 2.193 2.060 2.483 . 0 0 "[ . 1 . 2]" 1
1261 1 71 THR H 1 72 THR HB . . 4.410 4.064 3.729 4.448 0.038 11 0 "[ . 1 . 2]" 1
1262 1 71 THR HA 1 71 THR MG . . 2.780 2.342 2.216 2.920 0.140 2 0 "[ . 1 . 2]" 1
1263 1 71 THR HA 1 74 LYS HB2 . . 3.790 2.698 2.198 3.101 . 0 0 "[ . 1 . 2]" 1
1264 1 71 THR HA 1 74 LYS HB3 . . 4.510 4.267 2.782 4.580 0.070 5 0 "[ . 1 . 2]" 1
1265 1 71 THR HA 1 74 LYS QD . . 4.110 3.006 2.203 4.180 0.070 15 0 "[ . 1 . 2]" 1
1266 1 71 THR HA 1 74 LYS QE . . 4.820 4.063 2.195 4.912 0.092 8 0 "[ . 1 . 2]" 1
1267 1 71 THR HA 1 74 LYS HG2 . . 5.010 4.559 2.465 5.077 0.067 20 0 "[ . 1 . 2]" 1
1268 1 71 THR HA 1 74 LYS HG3 . . 4.860 3.764 2.693 4.938 0.078 13 0 "[ . 1 . 2]" 1
1269 1 71 THR HA 1 76 GLU QB . . 3.940 3.624 2.629 3.974 0.034 15 0 "[ . 1 . 2]" 1
1270 1 71 THR HB 1 73 THR H . . 5.140 4.784 4.560 5.090 . 0 0 "[ . 1 . 2]" 1
1271 1 71 THR HB 1 76 GLU H . . 4.860 4.862 4.404 4.961 0.101 2 0 "[ . 1 . 2]" 1
1272 1 71 THR HB 1 76 GLU QB . . 3.430 2.963 2.331 3.521 0.091 2 0 "[ . 1 . 2]" 1
1273 1 71 THR HB 1 76 GLU QG . . 4.090 3.597 2.785 4.078 . 0 0 "[ . 1 . 2]" 1
1274 1 71 THR HB 1 78 PHE QE . . 4.660 3.521 2.600 4.065 . 0 0 "[ . 1 . 2]" 1
1275 1 71 THR MG 1 72 THR H . . 4.270 3.818 2.133 4.155 . 0 0 "[ . 1 . 2]" 1
1276 1 71 THR MG 1 72 THR HA . . 4.510 4.368 3.201 4.605 0.095 20 0 "[ . 1 . 2]" 1
1277 1 71 THR MG 1 73 THR H . . 5.240 5.010 4.224 5.321 0.081 8 0 "[ . 1 . 2]" 1
1278 1 71 THR MG 1 76 GLU H . . 5.240 3.851 3.186 4.542 . 0 0 "[ . 1 . 2]" 1
1279 1 71 THR MG 1 76 GLU HA . . 4.890 4.432 4.134 4.835 . 0 0 "[ . 1 . 2]" 1
1280 1 71 THR MG 1 76 GLU QB . . 3.590 2.124 2.000 2.621 . 0 0 "[ . 1 . 2]" 1
1281 1 71 THR MG 1 77 ASN H . . 5.500 4.969 3.880 5.539 0.039 7 0 "[ . 1 . 2]" 1
1282 1 71 THR MG 1 78 PHE QD . . 4.450 4.445 2.604 4.596 0.146 18 0 "[ . 1 . 2]" 1
1283 1 71 THR MG 1 78 PHE QE . . 4.310 3.666 2.753 4.195 . 0 0 "[ . 1 . 2]" 1
1284 1 72 THR H 1 72 THR HB . . 2.910 2.446 2.275 2.663 . 0 0 "[ . 1 . 2]" 1
1285 1 72 THR H 1 72 THR MG . . 3.490 3.600 3.579 3.618 0.128 20 0 "[ . 1 . 2]" 1
1286 1 72 THR H 1 73 THR H . . 3.550 2.796 2.581 3.234 . 0 0 "[ . 1 . 2]" 1
1287 1 72 THR HA 1 72 THR MG . . 3.040 2.385 2.274 2.480 . 0 0 "[ . 1 . 2]" 1
1288 1 72 THR HA 1 73 THR H . . 3.350 3.393 2.950 3.439 0.089 11 0 "[ . 1 . 2]" 1
1289 1 72 THR HA 1 76 GLU H . . 3.920 2.506 2.004 3.662 . 0 0 "[ . 1 . 2]" 1
1290 1 72 THR HA 1 76 GLU QB . . 4.390 2.673 2.212 4.328 . 0 0 "[ . 1 . 2]" 1
1291 1 72 THR HA 1 76 GLU QG . . 5.240 4.344 3.744 5.040 . 0 0 "[ . 1 . 2]" 1
1292 1 72 THR MG 1 76 GLU H . . 5.340 4.252 3.709 5.419 0.079 2 0 "[ . 1 . 2]" 1
1293 1 72 THR MG 1 77 ASN HA . . 4.340 2.725 2.127 4.018 . 0 0 "[ . 1 . 2]" 1
1294 1 72 THR MG 1 77 ASN HD21 . . 5.500 5.044 3.678 5.610 0.110 18 0 "[ . 1 . 2]" 1
1295 1 72 THR MG 1 77 ASN HD22 . . 5.500 5.260 4.691 5.588 0.088 14 0 "[ . 1 . 2]" 1
1296 1 72 THR MG 1 78 PHE H . . 5.500 3.617 2.440 5.082 . 0 0 "[ . 1 . 2]" 1
1297 1 73 THR H 1 73 THR MG . . 3.480 2.736 2.308 3.444 . 0 0 "[ . 1 . 2]" 1
1298 1 73 THR H 1 76 GLU H . . 4.270 4.332 3.995 4.363 0.093 20 0 "[ . 1 . 2]" 1
1299 1 73 THR HA 1 75 GLY H . . 3.950 3.535 3.033 4.025 0.075 3 0 "[ . 1 . 2]" 1
1300 1 73 THR MG 1 74 LYS H . . 3.940 2.950 2.326 3.593 . 0 0 "[ . 1 . 2]" 1
1301 1 73 THR MG 1 74 LYS HA . . 4.560 3.719 3.194 4.303 . 0 0 "[ . 1 . 2]" 1
1302 1 73 THR MG 1 74 LYS HB2 . . 4.660 4.298 3.421 4.755 0.095 8 0 "[ . 1 . 2]" 1
1303 1 73 THR MG 1 74 LYS QD . . 5.090 3.694 2.233 4.664 . 0 0 "[ . 1 . 2]" 1
1304 1 73 THR MG 1 74 LYS QE . . 4.240 3.608 2.552 4.348 0.108 8 0 "[ . 1 . 2]" 1
1305 1 73 THR MG 1 74 LYS HG3 . . 4.140 3.131 2.406 4.210 0.070 3 0 "[ . 1 . 2]" 1
1306 1 73 THR MG 1 75 GLY H . . 5.120 4.561 4.274 4.929 . 0 0 "[ . 1 . 2]" 1
1307 1 74 LYS H 1 74 LYS HB2 . . 3.270 2.430 2.076 2.606 . 0 0 "[ . 1 . 2]" 1
1308 1 74 LYS H 1 74 LYS HB3 . . 3.710 3.582 2.969 3.680 . 0 0 "[ . 1 . 2]" 1
1309 1 74 LYS H 1 74 LYS HG3 . . 4.010 3.097 2.372 4.084 0.074 3 0 "[ . 1 . 2]" 1
1310 1 74 LYS H 1 75 GLY H . . 3.270 2.295 2.013 2.633 . 0 0 "[ . 1 . 2]" 1
1311 1 74 LYS H 1 76 GLU H . . 4.200 3.376 3.022 3.722 . 0 0 "[ . 1 . 2]" 1
1312 1 74 LYS HA 1 74 LYS HB2 . . 3.020 3.022 2.761 3.060 0.040 7 0 "[ . 1 . 2]" 1
1313 1 74 LYS HA 1 74 LYS HB3 . . 2.900 2.496 2.351 2.996 0.096 3 0 "[ . 1 . 2]" 1
1314 1 74 LYS HA 1 74 LYS QD . . 3.740 3.660 2.230 3.846 0.106 11 0 "[ . 1 . 2]" 1
1315 1 74 LYS HA 1 74 LYS QE . . 5.140 4.333 2.566 4.970 . 0 0 "[ . 1 . 2]" 1
1316 1 74 LYS HA 1 74 LYS HG2 . . 3.260 2.744 2.220 3.342 0.082 12 0 "[ . 1 . 2]" 1
1317 1 74 LYS HA 1 74 LYS HG3 . . 3.660 2.856 2.012 3.749 0.089 15 0 "[ . 1 . 2]" 1
1318 1 74 LYS HB2 1 75 GLY H . . 4.380 3.516 2.808 3.895 . 0 0 "[ . 1 . 2]" 1
1319 1 74 LYS HB3 1 74 LYS QE . . 4.440 3.852 1.938 4.507 0.067 16 0 "[ . 1 . 2]" 1
1320 1 74 LYS HB3 1 75 GLY H . . 4.220 4.130 3.058 4.302 0.082 1 0 "[ . 1 . 2]" 1
1321 1 74 LYS QD 1 74 LYS HG3 . . 2.400 2.360 2.191 2.471 0.071 14 0 "[ . 1 . 2]" 1
1322 1 74 LYS QE 1 74 LYS HG2 . . 3.410 2.640 2.202 3.324 . 0 0 "[ . 1 . 2]" 1
1323 1 74 LYS HG3 1 75 GLY H . . 5.100 4.815 4.522 5.079 . 0 0 "[ . 1 . 2]" 1
1324 1 75 GLY H 1 75 GLY HA2 . . 2.880 2.415 2.254 2.718 . 0 0 "[ . 1 . 2]" 1
1325 1 75 GLY H 1 76 GLU H . . 3.380 2.264 1.768 2.631 . 0 0 "[ . 1 . 2]" 1
1326 1 75 GLY HA2 1 76 GLU H . . 3.490 3.227 2.573 3.445 . 0 0 "[ . 1 . 2]" 1
1327 1 75 GLY HA3 1 76 GLU H . . 3.530 3.549 3.475 3.607 0.077 2 0 "[ . 1 . 2]" 1
1328 1 76 GLU H 1 76 GLU QB . . 2.920 2.214 2.053 2.520 . 0 0 "[ . 1 . 2]" 1
1329 1 76 GLU H 1 77 ASN H . . 4.430 4.301 2.651 4.522 0.092 20 0 "[ . 1 . 2]" 1
1330 1 76 GLU HA 1 76 GLU QB . . 2.750 2.456 2.269 2.572 . 0 0 "[ . 1 . 2]" 1
1331 1 76 GLU HA 1 76 GLU QG . . 3.150 2.532 2.243 2.877 . 0 0 "[ . 1 . 2]" 1
1332 1 76 GLU HA 1 77 ASN H . . 3.470 2.553 2.245 3.404 . 0 0 "[ . 1 . 2]" 1
1333 1 76 GLU HA 1 77 ASN HB2 . . 4.570 4.397 3.881 4.654 0.084 12 0 "[ . 1 . 2]" 1
1334 1 76 GLU HA 1 77 ASN HB3 . . 4.630 4.598 4.178 4.712 0.082 9 0 "[ . 1 . 2]" 1
1335 1 76 GLU QB 1 77 ASN H . . 3.190 2.980 2.006 3.290 0.100 2 0 "[ . 1 . 2]" 1
1336 1 76 GLU QB 1 77 ASN HA . . 4.510 4.150 3.588 4.607 0.097 7 0 "[ . 1 . 2]" 1
1337 1 76 GLU QB 1 78 PHE H . . 5.090 4.452 3.187 5.176 0.086 8 0 "[ . 1 . 2]" 1
1338 1 76 GLU QB 1 78 PHE QD . . 5.210 4.360 3.051 5.288 0.078 2 0 "[ . 1 . 2]" 1
1339 1 76 GLU QB 1 78 PHE QE . . 5.220 4.916 3.877 5.326 0.106 5 0 "[ . 1 . 2]" 1
1340 1 76 GLU QG 1 77 ASN H . . 3.680 2.331 1.678 3.581 . 0 0 "[ . 1 . 2]" 1
1341 1 76 GLU QG 1 78 PHE QD . . 4.730 4.096 2.709 4.566 . 0 0 "[ . 1 . 2]" 1
1342 1 76 GLU QG 1 78 PHE QE . . 4.980 4.295 3.187 4.848 . 0 0 "[ . 1 . 2]" 1
1343 1 77 ASN H 1 77 ASN HB2 . . 3.400 3.280 2.627 3.469 0.069 13 0 "[ . 1 . 2]" 1
1344 1 77 ASN H 1 77 ASN HB3 . . 3.190 3.024 2.657 3.288 0.098 12 0 "[ . 1 . 2]" 1
1345 1 77 ASN H 1 77 ASN HD21 . . 4.890 4.658 3.954 4.958 0.068 12 0 "[ . 1 . 2]" 1
1346 1 77 ASN H 1 78 PHE H . . 4.040 3.652 2.921 4.122 0.082 10 0 "[ . 1 . 2]" 1
1347 1 77 ASN HA 1 77 ASN HB2 . . 2.880 2.499 2.398 2.628 . 0 0 "[ . 1 . 2]" 1
1348 1 77 ASN HA 1 77 ASN HD21 . . 4.820 3.226 2.123 4.207 . 0 0 "[ . 1 . 2]" 1
1349 1 77 ASN HA 1 77 ASN HD22 . . 5.240 3.973 3.614 4.450 . 0 0 "[ . 1 . 2]" 1
1350 1 77 ASN HA 1 78 PHE H . . 2.720 2.253 2.073 2.539 . 0 0 "[ . 1 . 2]" 1
1351 1 77 ASN HA 1 78 PHE HA . . 4.850 4.532 4.436 4.659 . 0 0 "[ . 1 . 2]" 1
1352 1 77 ASN HB3 1 77 ASN HD21 . . 3.580 2.829 2.218 3.641 0.061 11 0 "[ . 1 . 2]" 1
1353 1 77 ASN HB3 1 78 PHE H . . 4.610 4.347 3.824 4.566 . 0 0 "[ . 1 . 2]" 1
1354 1 77 ASN HB3 1 79 THR MG . . 5.020 4.808 4.195 5.116 0.096 19 0 "[ . 1 . 2]" 1
1355 1 77 ASN HD21 1 79 THR MG . . 5.480 3.911 2.549 5.565 0.085 10 0 "[ . 1 . 2]" 1
1356 1 77 ASN HD22 1 79 THR MG . . 5.480 4.411 2.819 5.543 0.063 9 0 "[ . 1 . 2]" 1
1357 1 78 PHE H 1 78 PHE HB2 . . 3.260 2.201 2.072 2.578 . 0 0 "[ . 1 . 2]" 1
1358 1 78 PHE H 1 78 PHE HB3 . . 3.720 3.440 3.307 3.615 . 0 0 "[ . 1 . 2]" 1
1359 1 78 PHE H 1 79 THR H . . 4.750 4.519 4.117 4.711 . 0 0 "[ . 1 . 2]" 1
1360 1 78 PHE HA 1 79 THR MG . . 4.250 3.930 3.306 4.359 0.109 2 0 "[ . 1 . 2]" 1
1361 1 78 PHE HA 1 82 ASP HB3 . . 4.560 4.266 3.702 4.612 0.052 17 0 "[ . 1 . 2]" 1
1362 1 78 PHE HA 1 86 MET ME . . 5.290 5.079 4.743 5.296 0.006 10 0 "[ . 1 . 2]" 1
1363 1 78 PHE HB2 1 79 THR H . . 4.560 4.420 3.543 4.628 0.068 12 0 "[ . 1 . 2]" 1
1364 1 78 PHE HB3 1 82 ASP HB3 . . 4.630 4.273 3.455 4.703 0.073 14 0 "[ . 1 . 2]" 1
1365 1 78 PHE HB3 1 83 VAL MG1 . . 4.720 4.672 4.267 4.818 0.098 10 0 "[ . 1 . 2]" 1
1366 1 78 PHE HB3 1 86 MET ME . . 3.690 3.653 3.421 3.790 0.100 11 0 "[ . 1 . 2]" 1
1367 1 78 PHE QD 1 82 ASP HA . . 4.830 4.558 4.152 4.735 . 0 0 "[ . 1 . 2]" 1
1368 1 78 PHE QD 1 86 MET ME . . 4.940 2.965 2.476 3.282 . 0 0 "[ . 1 . 2]" 1
1369 1 78 PHE QE 1 82 ASP HA . . 4.700 4.765 4.581 4.806 0.106 13 0 "[ . 1 . 2]" 1
1370 1 78 PHE QE 1 82 ASP HB2 . . 4.620 4.014 3.826 4.349 . 0 0 "[ . 1 . 2]" 1
1371 1 78 PHE QE 1 82 ASP HB3 . . 4.090 2.659 2.432 3.248 . 0 0 "[ . 1 . 2]" 1
1372 1 78 PHE QE 1 86 MET HB2 . . 4.800 3.929 2.601 4.832 0.032 2 0 "[ . 1 . 2]" 1
1373 1 78 PHE QE 1 86 MET ME . . 3.490 2.753 2.235 3.272 . 0 0 "[ . 1 . 2]" 1
1374 1 79 THR H 1 79 THR HB . . 3.780 3.528 3.293 3.721 . 0 0 "[ . 1 . 2]" 1
1375 1 79 THR H 1 79 THR MG . . 3.640 2.558 2.130 3.655 0.015 20 0 "[ . 1 . 2]" 1
1376 1 79 THR H 1 82 ASP H . . 4.470 3.835 3.205 4.476 0.006 4 0 "[ . 1 . 2]" 1
1377 1 79 THR H 1 82 ASP HB2 . . 3.670 2.484 1.828 3.039 . 0 0 "[ . 1 . 2]" 1
1378 1 79 THR H 1 82 ASP HB3 . . 4.070 3.820 3.227 4.148 0.078 7 0 "[ . 1 . 2]" 1
1379 1 79 THR HA 1 79 THR HB . . 2.760 2.553 2.372 2.778 0.018 20 0 "[ . 1 . 2]" 1
1380 1 79 THR HA 1 79 THR MG . . 2.920 2.337 2.140 2.527 . 0 0 "[ . 1 . 2]" 1
1381 1 79 THR HA 1 80 GLU H . . 3.100 2.377 2.160 2.533 . 0 0 "[ . 1 . 2]" 1
1382 1 79 THR HA 1 80 GLU HA . . 4.830 4.334 4.154 4.518 . 0 0 "[ . 1 . 2]" 1
1383 1 79 THR HA 1 80 GLU HB2 . . 4.930 4.459 4.137 4.785 . 0 0 "[ . 1 . 2]" 1
1384 1 79 THR HA 1 81 THR H . . 4.420 4.373 4.091 4.498 0.078 20 0 "[ . 1 . 2]" 1
1385 1 79 THR HA 1 82 ASP H . . 5.500 4.572 4.308 4.819 . 0 0 "[ . 1 . 2]" 1
1386 1 79 THR HB 1 80 GLU H . . 3.070 2.702 2.366 3.122 0.052 12 0 "[ . 1 . 2]" 1
1387 1 79 THR HB 1 80 GLU HB3 . . 4.660 4.428 3.857 4.726 0.066 17 0 "[ . 1 . 2]" 1
1388 1 79 THR HB 1 81 THR H . . 2.910 2.919 2.612 2.988 0.078 14 0 "[ . 1 . 2]" 1
1389 1 79 THR HB 1 81 THR HB . . 4.380 3.704 3.441 3.976 . 0 0 "[ . 1 . 2]" 1
1390 1 79 THR HB 1 82 ASP H . . 3.320 3.297 2.893 3.405 0.085 18 0 "[ . 1 . 2]" 1
1391 1 79 THR MG 1 80 GLU H . . 4.240 3.620 2.942 4.037 . 0 0 "[ . 1 . 2]" 1
1392 1 79 THR MG 1 81 THR H . . 4.720 4.405 4.125 4.533 . 0 0 "[ . 1 . 2]" 1
1393 1 79 THR MG 1 81 THR HB . . 4.910 4.618 3.952 5.006 0.096 2 0 "[ . 1 . 2]" 1
1394 1 79 THR MG 1 82 ASP H . . 5.470 4.221 3.737 4.761 . 0 0 "[ . 1 . 2]" 1
1395 1 80 GLU H 1 80 GLU HB2 . . 3.240 2.330 2.167 2.496 . 0 0 "[ . 1 . 2]" 1
1396 1 80 GLU H 1 81 THR H . . 3.530 2.749 2.499 3.394 . 0 0 "[ . 1 . 2]" 1
1397 1 80 GLU H 1 82 ASP H . . 5.170 4.236 4.005 4.571 . 0 0 "[ . 1 . 2]" 1
1398 1 80 GLU HA 1 80 GLU HB2 . . 2.770 2.527 2.390 2.614 . 0 0 "[ . 1 . 2]" 1
1399 1 80 GLU HA 1 80 GLU HG2 . . 3.650 3.425 2.717 3.737 0.087 10 0 "[ . 1 . 2]" 1
1400 1 80 GLU HA 1 80 GLU HG3 . . 3.940 2.541 2.329 2.945 . 0 0 "[ . 1 . 2]" 1
1401 1 80 GLU HA 1 82 ASP H . . 5.140 4.521 4.109 4.747 . 0 0 "[ . 1 . 2]" 1
1402 1 80 GLU HA 1 83 VAL H . . 3.800 3.647 3.452 3.870 0.070 10 0 "[ . 1 . 2]" 1
1403 1 80 GLU HA 1 83 VAL HB . . 3.350 3.082 2.697 3.423 0.073 6 0 "[ . 1 . 2]" 1
1404 1 80 GLU HA 1 83 VAL MG2 . . 3.950 3.120 2.209 3.634 . 0 0 "[ . 1 . 2]" 1
1405 1 80 GLU HB2 1 80 GLU HG3 . . 2.970 2.767 2.380 3.037 0.067 12 0 "[ . 1 . 2]" 1
1406 1 80 GLU HB2 1 81 THR H . . 3.760 3.761 3.606 3.839 0.079 2 0 "[ . 1 . 2]" 1
1407 1 80 GLU HB3 1 80 GLU HG3 . . 3.040 2.870 2.499 3.051 0.011 19 0 "[ . 1 . 2]" 1
1408 1 80 GLU HB3 1 81 THR H . . 3.760 2.539 2.289 2.745 . 0 0 "[ . 1 . 2]" 1
1409 1 80 GLU HG2 1 81 THR H . . 4.910 4.174 3.677 4.592 . 0 0 "[ . 1 . 2]" 1
1410 1 80 GLU HG2 1 81 THR HA . . 5.030 4.506 3.904 5.104 0.074 4 0 "[ . 1 . 2]" 1
1411 1 80 GLU HG3 1 81 THR H . . 4.770 4.407 3.684 4.853 0.083 7 0 "[ . 1 . 2]" 1
1412 1 80 GLU HG3 1 83 VAL MG1 . . 5.500 5.014 4.317 5.572 0.072 16 0 "[ . 1 . 2]" 1
1413 1 80 GLU HG3 1 84 LYS QE . . 4.760 3.944 2.098 4.849 0.089 12 0 "[ . 1 . 2]" 1
1414 1 81 THR H 1 81 THR HB . . 3.050 2.606 2.368 3.024 . 0 0 "[ . 1 . 2]" 1
1415 1 81 THR H 1 81 THR MG . . 4.350 3.733 3.569 3.841 . 0 0 "[ . 1 . 2]" 1
1416 1 81 THR H 1 82 ASP H . . 3.370 2.729 2.525 2.911 . 0 0 "[ . 1 . 2]" 1
1417 1 81 THR H 1 83 VAL H . . 4.960 4.280 4.080 4.450 . 0 0 "[ . 1 . 2]" 1
1418 1 81 THR HA 1 81 THR MG . . 3.390 2.399 2.272 2.539 . 0 0 "[ . 1 . 2]" 1
1419 1 81 THR HA 1 83 VAL H . . 5.020 4.530 3.953 4.741 . 0 0 "[ . 1 . 2]" 1
1420 1 81 THR HA 1 84 LYS H . . 4.120 3.424 3.220 3.755 . 0 0 "[ . 1 . 2]" 1
1421 1 81 THR HA 1 84 LYS QB . . 3.840 2.936 2.239 3.935 0.095 12 0 "[ . 1 . 2]" 1
1422 1 81 THR HA 1 84 LYS QD . . 4.160 3.349 2.147 4.256 0.096 14 0 "[ . 1 . 2]" 1
1423 1 81 THR HA 1 84 LYS QE . . 4.770 3.277 2.068 4.292 . 0 0 "[ . 1 . 2]" 1
1424 1 81 THR HA 1 84 LYS HG2 . . 4.960 4.696 3.143 5.045 0.085 18 0 "[ . 1 . 2]" 1
1425 1 81 THR HA 1 84 LYS HG3 . . 4.880 3.849 2.036 4.969 0.089 10 0 "[ . 1 . 2]" 1
1426 1 81 THR HA 1 85 MET H . . 4.860 4.120 3.958 4.367 . 0 0 "[ . 1 . 2]" 1
1427 1 81 THR HB 1 82 ASP H . . 3.570 2.612 2.320 2.782 . 0 0 "[ . 1 . 2]" 1
1428 1 81 THR MG 1 82 ASP H . . 4.760 3.679 3.374 3.968 . 0 0 "[ . 1 . 2]" 1
1429 1 81 THR MG 1 82 ASP HA . . 4.720 3.859 3.480 4.278 . 0 0 "[ . 1 . 2]" 1
1430 1 81 THR MG 1 84 LYS H . . 5.500 4.693 4.348 4.932 . 0 0 "[ . 1 . 2]" 1
1431 1 81 THR MG 1 84 LYS QE . . 5.090 4.120 2.236 5.202 0.112 17 0 "[ . 1 . 2]" 1
1432 1 81 THR MG 1 85 MET H . . 5.500 3.998 3.445 4.265 . 0 0 "[ . 1 . 2]" 1
1433 1 81 THR MG 1 85 MET HA . . 5.320 5.205 4.789 5.406 0.086 2 0 "[ . 1 . 2]" 1
1434 1 81 THR MG 1 85 MET ME . . 3.310 2.939 2.149 3.439 0.129 6 0 "[ . 1 . 2]" 1
1435 1 81 THR MG 1 85 MET HG2 . . 4.120 3.761 3.243 4.166 0.046 14 0 "[ . 1 . 2]" 1
1436 1 81 THR MG 1 85 MET HG3 . . 4.340 2.617 2.120 3.035 . 0 0 "[ . 1 . 2]" 1
1437 1 82 ASP H 1 82 ASP HB2 . . 3.740 2.391 2.186 2.587 . 0 0 "[ . 1 . 2]" 1
1438 1 82 ASP H 1 82 ASP HB3 . . 4.090 3.564 3.434 3.665 . 0 0 "[ . 1 . 2]" 1
1439 1 82 ASP H 1 83 VAL H . . 3.590 2.751 2.473 2.892 . 0 0 "[ . 1 . 2]" 1
1440 1 82 ASP H 1 83 VAL HB . . 5.120 4.909 4.632 5.191 0.071 19 0 "[ . 1 . 2]" 1
1441 1 82 ASP HA 1 85 MET H . . 4.320 3.371 3.025 3.553 . 0 0 "[ . 1 . 2]" 1
1442 1 82 ASP HA 1 85 MET HB2 . . 3.610 2.597 2.428 2.726 . 0 0 "[ . 1 . 2]" 1
1443 1 82 ASP HA 1 85 MET HB3 . . 4.260 4.241 4.046 4.340 0.080 9 0 "[ . 1 . 2]" 1
1444 1 82 ASP HA 1 85 MET HG2 . . 4.930 4.964 4.646 5.019 0.089 18 0 "[ . 1 . 2]" 1
1445 1 82 ASP HA 1 85 MET HG3 . . 4.800 3.650 3.139 4.064 . 0 0 "[ . 1 . 2]" 1
1446 1 82 ASP HA 1 86 MET H . . 5.360 3.729 3.515 3.985 . 0 0 "[ . 1 . 2]" 1
1447 1 82 ASP HA 1 86 MET ME . . 4.630 4.668 4.322 4.742 0.112 14 0 "[ . 1 . 2]" 1
1448 1 82 ASP HB2 1 83 VAL H . . 3.840 2.728 2.381 3.667 . 0 0 "[ . 1 . 2]" 1
1449 1 82 ASP HB3 1 83 VAL H . . 4.220 3.458 3.073 4.256 0.036 6 0 "[ . 1 . 2]" 1
1450 1 82 ASP HB3 1 86 MET ME . . 4.420 3.460 2.955 3.953 . 0 0 "[ . 1 . 2]" 1
1451 1 83 VAL H 1 83 VAL HB . . 3.120 2.502 2.310 2.804 . 0 0 "[ . 1 . 2]" 1
1452 1 83 VAL H 1 83 VAL MG2 . . 4.230 2.160 1.943 2.474 . 0 0 "[ . 1 . 2]" 1
1453 1 83 VAL H 1 84 LYS H . . 3.580 2.830 2.459 2.932 . 0 0 "[ . 1 . 2]" 1
1454 1 83 VAL H 1 86 MET ME . . 5.500 3.849 3.564 4.367 . 0 0 "[ . 1 . 2]" 1
1455 1 83 VAL HA 1 83 VAL MG1 . . 2.990 2.460 2.299 2.601 . 0 0 "[ . 1 . 2]" 1
1456 1 83 VAL HA 1 83 VAL MG2 . . 3.190 2.395 2.279 2.585 . 0 0 "[ . 1 . 2]" 1
1457 1 83 VAL HA 1 84 LYS HA . . 4.750 4.714 4.642 4.768 0.018 15 0 "[ . 1 . 2]" 1
1458 1 83 VAL HA 1 85 MET H . . 5.160 4.573 4.479 4.814 . 0 0 "[ . 1 . 2]" 1
1459 1 83 VAL HA 1 86 MET H . . 4.610 3.656 3.345 3.836 . 0 0 "[ . 1 . 2]" 1
1460 1 83 VAL HA 1 86 MET HB2 . . 4.070 3.178 2.629 3.630 . 0 0 "[ . 1 . 2]" 1
1461 1 83 VAL HA 1 86 MET HB3 . . 4.200 2.824 2.540 3.364 . 0 0 "[ . 1 . 2]" 1
1462 1 83 VAL HA 1 86 MET ME . . 2.950 1.990 1.885 2.244 . 0 0 "[ . 1 . 2]" 1
1463 1 83 VAL HA 1 87 GLU H . . 4.780 4.217 3.824 4.639 . 0 0 "[ . 1 . 2]" 1
1464 1 83 VAL HB 1 84 LYS H . . 3.390 2.763 2.469 2.947 . 0 0 "[ . 1 . 2]" 1
1465 1 83 VAL MG1 1 84 LYS H . . 4.560 3.513 3.291 3.889 . 0 0 "[ . 1 . 2]" 1
1466 1 83 VAL MG1 1 86 MET ME . . 3.650 2.877 2.415 3.281 . 0 0 "[ . 1 . 2]" 1
1467 1 83 VAL MG2 1 84 LYS H . . 4.250 3.986 3.735 4.141 . 0 0 "[ . 1 . 2]" 1
1468 1 84 LYS H 1 84 LYS HG2 . . 3.990 3.609 2.962 4.062 0.072 15 0 "[ . 1 . 2]" 1
1469 1 84 LYS H 1 84 LYS HG3 . . 4.370 2.746 2.172 4.421 0.051 10 0 "[ . 1 . 2]" 1
1470 1 84 LYS H 1 85 MET H . . 3.210 2.679 2.552 2.833 . 0 0 "[ . 1 . 2]" 1
1471 1 84 LYS H 1 86 MET H . . 5.090 4.136 3.948 4.354 . 0 0 "[ . 1 . 2]" 1
1472 1 84 LYS HA 1 84 LYS QD . . 3.880 3.898 3.637 3.991 0.111 8 0 "[ . 1 . 2]" 1
1473 1 84 LYS HA 1 84 LYS HG2 . . 3.740 2.882 2.291 3.851 0.111 12 0 "[ . 1 . 2]" 1
1474 1 84 LYS HA 1 84 LYS HG3 . . 3.610 3.005 2.412 3.669 0.059 12 0 "[ . 1 . 2]" 1
1475 1 84 LYS HA 1 86 MET ME . . 5.500 5.582 5.344 5.615 0.115 10 0 "[ . 1 . 2]" 1
1476 1 84 LYS HA 1 87 GLU HB2 . . 3.540 2.660 2.374 3.072 . 0 0 "[ . 1 . 2]" 1
1477 1 84 LYS HA 1 87 GLU HG3 . . 4.370 4.072 3.482 4.449 0.079 16 0 "[ . 1 . 2]" 1
1478 1 84 LYS HA 1 88 ARG H . . 5.290 5.117 4.772 5.359 0.069 15 0 "[ . 1 . 2]" 1
1479 1 84 LYS QB 1 84 LYS QE . . 4.350 2.935 2.122 3.662 . 0 0 "[ . 1 . 2]" 1
1480 1 84 LYS QB 1 85 MET H . . 3.510 2.742 2.498 3.610 0.100 12 0 "[ . 1 . 2]" 1
1481 1 84 LYS HG3 1 85 MET H . . 5.440 4.296 2.818 4.753 . 0 0 "[ . 1 . 2]" 1
1482 1 85 MET H 1 85 MET HB2 . . 3.330 2.396 2.276 2.641 . 0 0 "[ . 1 . 2]" 1
1483 1 85 MET H 1 85 MET ME . . 5.500 4.800 4.605 4.958 . 0 0 "[ . 1 . 2]" 1
1484 1 85 MET H 1 85 MET HG2 . . 3.770 3.525 3.221 3.816 0.046 12 0 "[ . 1 . 2]" 1
1485 1 85 MET H 1 86 MET H . . 3.670 2.594 2.499 2.763 . 0 0 "[ . 1 . 2]" 1
1486 1 85 MET H 1 87 GLU H . . 5.230 4.161 3.970 4.342 . 0 0 "[ . 1 . 2]" 1
1487 1 85 MET HA 1 85 MET ME . . 4.200 4.118 3.876 4.266 0.066 10 0 "[ . 1 . 2]" 1
1488 1 85 MET HA 1 85 MET HG2 . . 3.940 2.443 2.206 2.712 . 0 0 "[ . 1 . 2]" 1
1489 1 85 MET HA 1 85 MET HG3 . . 3.600 3.064 2.753 3.346 . 0 0 "[ . 1 . 2]" 1
1490 1 85 MET HA 1 87 GLU H . . 4.810 4.412 4.076 4.732 . 0 0 "[ . 1 . 2]" 1
1491 1 85 MET HA 1 88 ARG HD3 . . 3.430 2.314 2.137 2.633 . 0 0 "[ . 1 . 2]" 1
1492 1 85 MET HB2 1 86 MET H . . 4.220 2.548 2.299 3.355 . 0 0 "[ . 1 . 2]" 1
1493 1 85 MET HB3 1 88 ARG HD3 . . 4.860 4.458 4.143 4.886 0.026 2 0 "[ . 1 . 2]" 1
1494 1 85 MET ME 1 85 MET HG2 . . 3.670 2.165 2.056 2.271 . 0 0 "[ . 1 . 2]" 1
1495 1 86 MET H 1 86 MET HB2 . . 3.690 2.206 2.070 2.482 . 0 0 "[ . 1 . 2]" 1
1496 1 86 MET H 1 86 MET HB3 . . 4.060 2.679 2.413 3.155 . 0 0 "[ . 1 . 2]" 1
1497 1 86 MET H 1 86 MET HG2 . . 4.870 4.430 4.369 4.478 . 0 0 "[ . 1 . 2]" 1
1498 1 86 MET H 1 87 GLU H . . 3.940 2.810 2.353 2.948 . 0 0 "[ . 1 . 2]" 1
1499 1 86 MET H 1 88 ARG H . . 5.150 4.467 4.325 4.592 . 0 0 "[ . 1 . 2]" 1
1500 1 86 MET HA 1 86 MET ME . . 4.680 4.246 4.156 4.346 . 0 0 "[ . 1 . 2]" 1
1501 1 86 MET HA 1 88 ARG H . . 5.210 4.307 4.058 4.488 . 0 0 "[ . 1 . 2]" 1
1502 1 86 MET HA 1 89 VAL H . . 4.050 3.298 3.115 3.644 . 0 0 "[ . 1 . 2]" 1
1503 1 86 MET HA 1 89 VAL HB . . 3.820 2.256 2.064 2.416 . 0 0 "[ . 1 . 2]" 1
1504 1 86 MET HA 1 89 VAL QG . . 3.710 2.935 2.737 3.097 . 0 0 "[ . 1 . 2]" 1
1505 1 86 MET HA 1 90 VAL H . . 4.420 3.727 3.298 4.095 . 0 0 "[ . 1 . 2]" 1
1506 1 86 MET HA 1 90 VAL QG . . 4.550 3.464 3.091 3.888 . 0 0 "[ . 1 . 2]" 1
1507 1 86 MET HB2 1 86 MET ME . . 3.570 2.237 2.058 2.478 . 0 0 "[ . 1 . 2]" 1
1508 1 86 MET HB2 1 87 GLU H . . 3.720 3.746 3.445 3.807 0.087 5 0 "[ . 1 . 2]" 1
1509 1 86 MET HB2 1 90 VAL QG . . 5.500 4.470 4.282 4.717 . 0 0 "[ . 1 . 2]" 1
1510 1 86 MET HB3 1 86 MET ME . . 4.160 2.181 2.007 2.405 . 0 0 "[ . 1 . 2]" 1
1511 1 86 MET HB3 1 87 GLU H . . 3.680 2.625 2.351 2.929 . 0 0 "[ . 1 . 2]" 1
1512 1 86 MET ME 1 86 MET HG2 . . 3.730 3.124 2.779 3.443 . 0 0 "[ . 1 . 2]" 1
1513 1 86 MET ME 1 86 MET HG3 . . 3.430 3.196 2.710 3.441 0.011 6 0 "[ . 1 . 2]" 1
1514 1 86 MET HG3 1 89 VAL QG . . 4.860 3.332 2.556 3.859 . 0 0 "[ . 1 . 2]" 1
1515 1 87 GLU H 1 87 GLU HB2 . . 3.150 2.078 1.821 2.252 . 0 0 "[ . 1 . 2]" 1
1516 1 87 GLU H 1 87 GLU HB3 . . 3.450 3.175 2.786 3.519 0.069 17 0 "[ . 1 . 2]" 1
1517 1 87 GLU H 1 87 GLU HG3 . . 3.720 3.729 2.665 3.816 0.096 14 0 "[ . 1 . 2]" 1
1518 1 87 GLU H 1 88 ARG H . . 3.520 3.142 2.815 3.330 . 0 0 "[ . 1 . 2]" 1
1519 1 87 GLU H 1 90 VAL QG . . 5.500 4.556 3.872 4.878 . 0 0 "[ . 1 . 2]" 1
1520 1 87 GLU HA 1 87 GLU HG2 . . 3.170 2.285 2.061 2.576 . 0 0 "[ . 1 . 2]" 1
1521 1 87 GLU HA 1 87 GLU HG3 . . 3.720 2.913 2.343 3.454 . 0 0 "[ . 1 . 2]" 1
1522 1 87 GLU HA 1 90 VAL QG . . 5.350 3.658 2.176 4.128 . 0 0 "[ . 1 . 2]" 1
1523 1 87 GLU HB2 1 88 ARG H . . 3.670 3.497 2.878 3.731 0.061 16 0 "[ . 1 . 2]" 1
1524 1 87 GLU HB3 1 88 ARG HA . . 4.150 4.066 3.929 4.190 0.040 14 0 "[ . 1 . 2]" 1
1525 1 87 GLU HB3 1 88 ARG HD2 . . 4.230 2.746 2.196 3.656 . 0 0 "[ . 1 . 2]" 1
1526 1 87 GLU HG3 1 88 ARG H . . 5.210 5.160 4.918 5.291 0.081 5 0 "[ . 1 . 2]" 1
1527 1 88 ARG H 1 88 ARG HB2 . . 3.450 2.495 2.348 3.516 0.066 6 0 "[ . 1 . 2]" 1
1528 1 88 ARG H 1 88 ARG HB3 . . 3.470 3.537 3.263 3.560 0.090 9 0 "[ . 1 . 2]" 1
1529 1 88 ARG H 1 88 ARG HD2 . . 5.140 2.303 1.985 2.862 . 0 0 "[ . 1 . 2]" 1
1530 1 88 ARG H 1 88 ARG HD3 . . 5.500 2.242 1.732 2.592 . 0 0 "[ . 1 . 2]" 1
1531 1 88 ARG H 1 88 ARG HG3 . . 3.830 3.570 3.361 3.704 . 0 0 "[ . 1 . 2]" 1
1532 1 88 ARG H 1 89 VAL H . . 3.250 2.529 2.409 2.692 . 0 0 "[ . 1 . 2]" 1
1533 1 88 ARG H 1 89 VAL QG . . 5.500 4.417 4.156 4.616 . 0 0 "[ . 1 . 2]" 1
1534 1 88 ARG H 1 90 VAL H . . 4.770 4.390 4.110 4.716 . 0 0 "[ . 1 . 2]" 1
1535 1 88 ARG HA 1 88 ARG HD2 . . 3.480 3.321 3.153 3.551 0.071 17 0 "[ . 1 . 2]" 1
1536 1 88 ARG HA 1 88 ARG HD3 . . 4.110 3.967 3.815 4.162 0.052 20 0 "[ . 1 . 2]" 1
1537 1 88 ARG HA 1 88 ARG HE . . 5.500 5.400 5.048 5.583 0.083 7 0 "[ . 1 . 2]" 1
1538 1 88 ARG HA 1 88 ARG HG2 . . 3.720 3.725 3.651 3.808 0.088 6 0 "[ . 1 . 2]" 1
1539 1 88 ARG HA 1 88 ARG HG3 . . 3.750 2.619 2.488 3.853 0.103 6 0 "[ . 1 . 2]" 1
1540 1 88 ARG HA 1 91 GLU H . . 4.280 3.601 3.275 3.971 . 0 0 "[ . 1 . 2]" 1
1541 1 88 ARG HA 1 91 GLU HB2 . . 3.810 3.426 2.670 3.856 0.046 7 0 "[ . 1 . 2]" 1
1542 1 88 ARG HA 1 92 GLN H . . 4.620 4.003 3.672 4.311 . 0 0 "[ . 1 . 2]" 1
1543 1 88 ARG HB2 1 88 ARG HD2 . . 3.950 3.241 3.016 3.598 . 0 0 "[ . 1 . 2]" 1
1544 1 88 ARG HB2 1 88 ARG HD3 . . 4.010 2.353 2.173 3.832 . 0 0 "[ . 1 . 2]" 1
1545 1 88 ARG HB2 1 88 ARG HE . . 4.740 4.114 3.664 4.338 . 0 0 "[ . 1 . 2]" 1
1546 1 88 ARG HB2 1 89 VAL H . . 3.720 2.545 2.339 2.724 . 0 0 "[ . 1 . 2]" 1
1547 1 88 ARG HB2 1 89 VAL HA . . 4.600 4.235 3.935 4.436 . 0 0 "[ . 1 . 2]" 1
1548 1 88 ARG HB3 1 88 ARG HD3 . . 4.160 3.491 3.408 3.592 . 0 0 "[ . 1 . 2]" 1
1549 1 88 ARG HB3 1 88 ARG HE . . 5.440 4.581 3.853 5.000 . 0 0 "[ . 1 . 2]" 1
1550 1 88 ARG HB3 1 89 VAL H . . 3.600 3.514 3.319 3.698 0.098 6 0 "[ . 1 . 2]" 1
1551 1 88 ARG HG2 1 89 VAL H . . 5.500 4.842 2.292 5.188 . 0 0 "[ . 1 . 2]" 1
1552 1 89 VAL H 1 89 VAL HB . . 3.240 2.102 1.986 2.278 . 0 0 "[ . 1 . 2]" 1
1553 1 89 VAL H 1 89 VAL QG . . 3.730 2.669 2.369 2.890 . 0 0 "[ . 1 . 2]" 1
1554 1 89 VAL H 1 90 VAL H . . 3.320 2.883 2.624 3.219 . 0 0 "[ . 1 . 2]" 1
1555 1 89 VAL H 1 90 VAL QG . . 4.960 4.159 3.807 4.551 . 0 0 "[ . 1 . 2]" 1
1556 1 89 VAL HA 1 89 VAL QG . . 3.250 2.125 2.050 2.201 . 0 0 "[ . 1 . 2]" 1
1557 1 89 VAL HA 1 92 GLN H . . 4.210 3.698 3.466 3.957 . 0 0 "[ . 1 . 2]" 1
1558 1 89 VAL HA 1 92 GLN HB2 . . 3.710 3.309 2.978 3.790 0.080 4 0 "[ . 1 . 2]" 1
1559 1 89 VAL HA 1 92 GLN HG3 . . 5.250 5.228 4.288 5.975 0.725 19 2 "[ - . 1 . +2]" 1
1560 1 89 VAL QG 1 90 VAL H . . 5.050 2.608 2.333 2.877 . 0 0 "[ . 1 . 2]" 1
1561 1 89 VAL QG 1 93 MET QG . . 4.660 3.347 2.673 3.887 . 0 0 "[ . 1 . 2]" 1
1562 1 90 VAL H 1 90 VAL HB . . 3.070 2.445 2.295 3.126 0.056 17 0 "[ . 1 . 2]" 1
1563 1 90 VAL H 1 90 VAL QG . . 3.450 2.051 1.878 2.242 . 0 0 "[ . 1 . 2]" 1
1564 1 90 VAL H 1 91 GLU H . . 3.090 2.706 2.448 2.937 . 0 0 "[ . 1 . 2]" 1
1565 1 90 VAL H 1 92 GLN H . . 5.180 4.454 4.261 4.617 . 0 0 "[ . 1 . 2]" 1
1566 1 90 VAL H 1 93 MET ME . . 5.160 4.650 3.837 5.266 0.106 2 0 "[ . 1 . 2]" 1
1567 1 90 VAL HA 1 90 VAL QG . . 3.190 2.192 2.111 2.560 . 0 0 "[ . 1 . 2]" 1
1568 1 90 VAL HA 1 93 MET H . . 3.840 3.311 3.041 3.532 . 0 0 "[ . 1 . 2]" 1
1569 1 90 VAL HA 1 93 MET HA . . 5.500 5.213 4.939 5.553 0.053 20 0 "[ . 1 . 2]" 1
1570 1 90 VAL HA 1 93 MET HB2 . . 3.820 2.381 2.169 2.770 . 0 0 "[ . 1 . 2]" 1
1571 1 90 VAL HA 1 93 MET HB3 . . 4.790 3.965 3.662 4.495 . 0 0 "[ . 1 . 2]" 1
1572 1 90 VAL HA 1 93 MET ME . . 3.990 3.183 2.245 4.068 0.078 1 0 "[ . 1 . 2]" 1
1573 1 90 VAL HA 1 93 MET QG . . 4.880 3.508 2.288 4.324 . 0 0 "[ . 1 . 2]" 1
1574 1 90 VAL QG 1 91 GLU H . . 4.450 3.385 2.558 3.616 . 0 0 "[ . 1 . 2]" 1
1575 1 90 VAL QG 1 91 GLU HA . . 5.500 3.878 3.533 4.312 . 0 0 "[ . 1 . 2]" 1
1576 1 90 VAL QG 1 92 GLN H . . 5.500 4.908 4.720 4.976 . 0 0 "[ . 1 . 2]" 1
1577 1 90 VAL QG 1 93 MET ME . . 5.430 3.212 2.236 4.301 . 0 0 "[ . 1 . 2]" 1
1578 1 90 VAL QG 1 94 CYS H . . 4.950 3.671 3.214 3.881 . 0 0 "[ . 1 . 2]" 1
1579 1 91 GLU H 1 91 GLU HB2 . . 3.040 2.589 2.461 2.734 . 0 0 "[ . 1 . 2]" 1
1580 1 91 GLU H 1 91 GLU HB3 . . 3.090 2.402 2.147 2.699 . 0 0 "[ . 1 . 2]" 1
1581 1 91 GLU H 1 92 GLN H . . 3.520 2.922 2.778 3.081 . 0 0 "[ . 1 . 2]" 1
1582 1 91 GLU H 1 92 GLN HE21 . . 5.430 5.043 4.419 5.611 0.181 19 0 "[ . 1 . 2]" 1
1583 1 91 GLU HA 1 91 GLU HG2 . . 3.790 3.101 2.641 3.372 . 0 0 "[ . 1 . 2]" 1
1584 1 91 GLU HA 1 91 GLU HG3 . . 3.840 2.842 2.464 3.504 . 0 0 "[ . 1 . 2]" 1
1585 1 91 GLU HB3 1 92 GLN H . . 2.950 2.494 2.317 2.634 . 0 0 "[ . 1 . 2]" 1
1586 1 91 GLU HG2 1 92 GLN HA . . 5.060 3.382 2.966 3.867 . 0 0 "[ . 1 . 2]" 1
1587 1 91 GLU HG3 1 92 GLN HA . . 5.070 4.957 4.540 5.148 0.078 16 0 "[ . 1 . 2]" 1
1588 1 92 GLN H 1 92 GLN HE21 . . 3.710 3.205 2.659 3.685 . 0 0 "[ . 1 . 2]" 1
1589 1 92 GLN H 1 92 GLN HE22 . . 4.440 4.372 3.330 4.541 0.101 4 0 "[ . 1 . 2]" 1
1590 1 92 GLN H 1 92 GLN HG2 . . 4.090 3.890 2.834 4.152 0.062 16 0 "[ . 1 . 2]" 1
1591 1 92 GLN H 1 92 GLN HG3 . . 4.080 2.840 2.143 4.170 0.090 2 0 "[ . 1 . 2]" 1
1592 1 92 GLN H 1 93 MET H . . 3.400 2.678 2.442 2.807 . 0 0 "[ . 1 . 2]" 1
1593 1 92 GLN H 1 93 MET QG . . 5.500 4.510 3.863 5.178 . 0 0 "[ . 1 . 2]" 1
1594 1 92 GLN H 1 94 CYS H . . 4.870 4.419 4.206 4.631 . 0 0 "[ . 1 . 2]" 1
1595 1 92 GLN H 1 95 VAL H . . 5.270 4.798 4.608 4.922 . 0 0 "[ . 1 . 2]" 1
1596 1 92 GLN H 1 95 VAL MG2 . . 5.170 4.480 4.257 4.675 . 0 0 "[ . 1 . 2]" 1
1597 1 92 GLN HA 1 92 GLN HB3 . . 3.040 2.619 2.384 2.810 . 0 0 "[ . 1 . 2]" 1
1598 1 92 GLN HA 1 92 GLN HE21 . . 5.010 4.414 3.877 4.665 . 0 0 "[ . 1 . 2]" 1
1599 1 92 GLN HA 1 92 GLN HG2 . . 3.650 2.824 2.571 3.699 0.049 17 0 "[ . 1 . 2]" 1
1600 1 92 GLN HA 1 92 GLN HG3 . . 3.640 2.536 2.172 3.551 . 0 0 "[ . 1 . 2]" 1
1601 1 92 GLN HA 1 94 CYS H . . 5.140 4.675 4.404 4.939 . 0 0 "[ . 1 . 2]" 1
1602 1 92 GLN HA 1 95 VAL H . . 3.880 3.484 3.178 3.766 . 0 0 "[ . 1 . 2]" 1
1603 1 92 GLN HA 1 95 VAL HB . . 3.450 2.477 2.124 2.905 . 0 0 "[ . 1 . 2]" 1
1604 1 92 GLN HA 1 95 VAL MG1 . . 4.310 3.587 3.206 4.053 . 0 0 "[ . 1 . 2]" 1
1605 1 92 GLN HA 1 95 VAL MG2 . . 3.780 2.921 2.485 3.332 . 0 0 "[ . 1 . 2]" 1
1606 1 92 GLN HA 1 96 THR H . . 4.990 4.164 3.903 4.626 . 0 0 "[ . 1 . 2]" 1
1607 1 92 GLN HB2 1 93 MET H . . 3.470 3.016 2.469 3.514 0.044 7 0 "[ . 1 . 2]" 1
1608 1 93 MET H 1 93 MET HB3 . . 3.850 3.593 3.534 3.699 . 0 0 "[ . 1 . 2]" 1
1609 1 93 MET H 1 93 MET ME . . 4.950 4.225 3.350 4.907 . 0 0 "[ . 1 . 2]" 1
1610 1 93 MET H 1 93 MET QG . . 3.630 2.510 2.082 2.896 . 0 0 "[ . 1 . 2]" 1
1611 1 93 MET H 1 94 CYS H . . 3.530 2.702 2.293 2.866 . 0 0 "[ . 1 . 2]" 1
1612 1 93 MET HA 1 93 MET ME . . 4.640 4.374 3.989 4.707 0.067 11 0 "[ . 1 . 2]" 1
1613 1 93 MET HA 1 93 MET QG . . 3.770 2.296 2.097 2.543 . 0 0 "[ . 1 . 2]" 1
1614 1 93 MET HA 1 96 THR H . . 3.920 3.652 3.266 3.888 . 0 0 "[ . 1 . 2]" 1
1615 1 93 MET HA 1 96 THR HB . . 4.230 3.007 2.634 3.378 . 0 0 "[ . 1 . 2]" 1
1616 1 93 MET HA 1 96 THR MG . . 4.420 4.183 3.824 4.517 0.097 19 0 "[ . 1 . 2]" 1
1617 1 93 MET HA 1 97 GLN H . . 4.750 4.157 3.935 4.272 . 0 0 "[ . 1 . 2]" 1
1618 1 93 MET HB3 1 94 CYS H . . 4.470 3.400 3.080 3.685 . 0 0 "[ . 1 . 2]" 1
1619 1 93 MET ME 1 94 CYS H . . 5.500 5.075 4.518 5.620 0.120 1 0 "[ . 1 . 2]" 1
1620 1 94 CYS H 1 94 CYS HB2 . . 3.360 2.401 2.215 2.615 . 0 0 "[ . 1 . 2]" 1
1621 1 94 CYS H 1 94 CYS HB3 . . 3.700 3.213 2.419 3.690 . 0 0 "[ . 1 . 2]" 1
1622 1 94 CYS H 1 95 VAL H . . 3.090 2.804 2.607 2.959 . 0 0 "[ . 1 . 2]" 1
1623 1 94 CYS H 1 95 VAL HB . . 4.790 4.674 4.338 4.855 0.065 18 0 "[ . 1 . 2]" 1
1624 1 94 CYS H 1 96 THR H . . 4.890 4.512 4.170 4.945 0.055 7 0 "[ . 1 . 2]" 1
1625 1 94 CYS HA 1 97 GLN H . . 4.240 3.060 2.715 3.350 . 0 0 "[ . 1 . 2]" 1
1626 1 94 CYS HA 1 97 GLN HB2 . . 4.480 2.540 2.054 3.185 . 0 0 "[ . 1 . 2]" 1
1627 1 94 CYS HA 1 97 GLN HB3 . . 4.840 2.691 2.023 3.970 . 0 0 "[ . 1 . 2]" 1
1628 1 94 CYS HB3 1 95 VAL H . . 4.380 3.268 2.505 3.702 . 0 0 "[ . 1 . 2]" 1
1629 1 95 VAL H 1 95 VAL HB . . 3.050 2.263 2.149 2.447 . 0 0 "[ . 1 . 2]" 1
1630 1 95 VAL H 1 95 VAL MG1 . . 4.230 3.706 3.645 3.769 . 0 0 "[ . 1 . 2]" 1
1631 1 95 VAL H 1 95 VAL MG2 . . 3.310 2.338 2.206 2.647 . 0 0 "[ . 1 . 2]" 1
1632 1 95 VAL H 1 96 THR H . . 3.460 2.913 2.743 3.180 . 0 0 "[ . 1 . 2]" 1
1633 1 95 VAL H 1 96 THR HB . . 5.140 4.824 4.536 5.080 . 0 0 "[ . 1 . 2]" 1
1634 1 95 VAL H 1 97 GLN H . . 5.220 3.983 3.858 4.257 . 0 0 "[ . 1 . 2]" 1
1635 1 95 VAL H 1 98 TYR H . . 5.010 4.775 4.636 4.896 . 0 0 "[ . 1 . 2]" 1
1636 1 95 VAL HA 1 95 VAL MG1 . . 3.610 2.637 2.498 2.757 . 0 0 "[ . 1 . 2]" 1
1637 1 95 VAL HA 1 95 VAL MG2 . . 3.210 2.336 2.272 2.450 . 0 0 "[ . 1 . 2]" 1
1638 1 95 VAL HA 1 98 TYR H . . 4.470 3.741 3.409 3.978 . 0 0 "[ . 1 . 2]" 1
1639 1 95 VAL HA 1 98 TYR HB2 . . 4.460 4.281 3.857 4.731 0.271 20 0 "[ . 1 . 2]" 1
1640 1 95 VAL HA 1 98 TYR HB3 . . 4.960 3.071 2.721 3.593 . 0 0 "[ . 1 . 2]" 1
1641 1 95 VAL HA 1 98 TYR QD . . 4.990 3.900 2.880 4.759 . 0 0 "[ . 1 . 2]" 1
1642 1 95 VAL HA 1 99 GLN H . . 4.950 4.435 4.013 4.690 . 0 0 "[ . 1 . 2]" 1
1643 1 95 VAL HB 1 96 THR H . . 3.140 2.511 2.335 2.711 . 0 0 "[ . 1 . 2]" 1
1644 1 95 VAL HB 1 96 THR HA . . 5.220 4.698 4.418 4.864 . 0 0 "[ . 1 . 2]" 1
1645 1 95 VAL HB 1 96 THR HB . . 4.590 4.612 4.331 4.669 0.079 11 0 "[ . 1 . 2]" 1
1646 1 95 VAL MG1 1 96 THR H . . 4.030 2.943 2.603 3.136 . 0 0 "[ . 1 . 2]" 1
1647 1 95 VAL MG1 1 99 GLN H . . 5.360 4.567 4.036 4.886 . 0 0 "[ . 1 . 2]" 1
1648 1 95 VAL MG1 1 99 GLN QE . . 4.050 1.807 1.597 2.491 . 0 0 "[ . 1 . 2]" 1
1649 1 95 VAL MG1 1 99 GLN HG3 . . 4.810 3.974 2.551 4.710 . 0 0 "[ . 1 . 2]" 1
1650 1 95 VAL MG2 1 96 THR H . . 4.360 3.998 3.866 4.130 . 0 0 "[ . 1 . 2]" 1
1651 1 96 THR H 1 96 THR HB . . 3.070 2.271 1.980 2.409 . 0 0 "[ . 1 . 2]" 1
1652 1 96 THR H 1 96 THR MG . . 4.140 3.689 3.554 3.745 . 0 0 "[ . 1 . 2]" 1
1653 1 96 THR H 1 97 GLN H . . 3.570 2.689 2.452 2.836 . 0 0 "[ . 1 . 2]" 1
1654 1 96 THR H 1 97 GLN HA . . 5.270 5.265 5.118 5.338 0.068 4 0 "[ . 1 . 2]" 1
1655 1 96 THR H 1 97 GLN HB2 . . 5.000 4.825 4.677 5.001 0.001 12 0 "[ . 1 . 2]" 1
1656 1 96 THR HA 1 96 THR MG . . 3.040 2.580 2.350 2.945 . 0 0 "[ . 1 . 2]" 1
1657 1 96 THR HA 1 99 GLN H . . 4.060 3.252 2.908 3.465 . 0 0 "[ . 1 . 2]" 1
1658 1 96 THR HA 1 99 GLN HB2 . . 3.710 2.386 2.148 2.653 . 0 0 "[ . 1 . 2]" 1
1659 1 96 THR HA 1 99 GLN HB3 . . 4.030 3.977 3.505 4.099 0.069 4 0 "[ . 1 . 2]" 1
1660 1 96 THR HA 1 99 GLN HG2 . . 4.540 4.472 3.562 4.645 0.105 4 0 "[ . 1 . 2]" 1
1661 1 96 THR HA 1 99 GLN HG3 . . 4.550 3.875 2.018 4.650 0.100 20 0 "[ . 1 . 2]" 1
1662 1 96 THR HB 1 97 GLN H . . 3.520 2.794 2.516 3.123 . 0 0 "[ . 1 . 2]" 1
1663 1 96 THR HB 1 97 GLN HB2 . . 4.760 4.537 4.231 4.841 0.081 18 0 "[ . 1 . 2]" 1
1664 1 96 THR HB 1 99 GLN QE . . 5.500 5.177 4.809 5.429 . 0 0 "[ . 1 . 2]" 1
1665 1 96 THR MG 1 97 GLN H . . 4.530 3.576 2.927 3.935 . 0 0 "[ . 1 . 2]" 1
1666 1 96 THR MG 1 97 GLN HA . . 4.250 3.619 3.197 4.053 . 0 0 "[ . 1 . 2]" 1
1667 1 96 THR MG 1 99 GLN HB2 . . 4.670 3.618 3.107 4.159 . 0 0 "[ . 1 . 2]" 1
1668 1 96 THR MG 1 100 LYS QD . . 3.710 3.634 3.107 3.844 0.134 13 0 "[ . 1 . 2]" 1
1669 1 96 THR MG 1 100 LYS QE . . 3.530 3.309 2.799 3.663 0.133 8 0 "[ . 1 . 2]" 1
1670 1 97 GLN H 1 97 GLN HB2 . . 3.780 2.344 2.181 2.535 . 0 0 "[ . 1 . 2]" 1
1671 1 97 GLN H 1 97 GLN HB3 . . 3.560 2.938 2.504 3.626 0.066 12 0 "[ . 1 . 2]" 1
1672 1 97 GLN H 1 97 GLN HG2 . . 5.500 4.122 2.572 4.753 . 0 0 "[ . 1 . 2]" 1
1673 1 97 GLN H 1 98 TYR H . . 4.020 2.807 2.664 2.928 . 0 0 "[ . 1 . 2]" 1
1674 1 97 GLN H 1 99 GLN H . . 5.500 4.093 3.779 4.276 . 0 0 "[ . 1 . 2]" 1
1675 1 97 GLN HA 1 100 LYS QB . . 3.680 2.798 2.148 3.512 . 0 0 "[ . 1 . 2]" 1
1676 1 97 GLN HA 1 100 LYS QD . . 4.230 3.588 2.227 4.315 0.085 4 0 "[ . 1 . 2]" 1
1677 1 97 GLN HA 1 100 LYS QE . . 4.620 4.308 2.035 4.716 0.096 11 0 "[ . 1 . 2]" 1
1678 1 97 GLN HB2 1 98 TYR H . . 4.200 3.556 2.670 3.993 . 0 0 "[ . 1 . 2]" 1
1679 1 97 GLN HB3 1 98 TYR H . . 4.970 2.797 2.304 3.615 . 0 0 "[ . 1 . 2]" 1
1680 1 97 GLN HE21 1 100 LYS QD . . 4.700 4.438 3.124 5.007 0.307 7 0 "[ . 1 . 2]" 1
1681 1 97 GLN HE22 1 100 LYS QD . . 4.910 4.157 2.104 4.995 0.085 2 0 "[ . 1 . 2]" 1
1682 1 98 TYR H 1 98 TYR HB2 . . 3.750 2.763 2.552 2.985 . 0 0 "[ . 1 . 2]" 1
1683 1 98 TYR H 1 98 TYR HB3 . . 3.720 2.286 2.103 2.527 . 0 0 "[ . 1 . 2]" 1
1684 1 98 TYR H 1 98 TYR QD . . 4.890 4.085 3.814 4.274 . 0 0 "[ . 1 . 2]" 1
1685 1 98 TYR H 1 99 GLN H . . 3.820 2.807 2.634 3.013 . 0 0 "[ . 1 . 2]" 1
1686 1 98 TYR HA 1 98 TYR QD . . 4.200 2.756 2.233 3.138 . 0 0 "[ . 1 . 2]" 1
1687 1 98 TYR HA 1 98 TYR QE . . 4.960 4.764 4.442 5.022 0.062 12 0 "[ . 1 . 2]" 1
1688 1 98 TYR HA 1 101 GLU H . . 4.650 3.237 2.644 3.799 . 0 0 "[ . 1 . 2]" 1
1689 1 98 TYR HA 1 101 GLU HB2 . . 4.740 2.502 2.060 4.176 . 0 0 "[ . 1 . 2]" 1
1690 1 98 TYR HB2 1 99 GLN H . . 3.860 4.083 3.831 4.254 0.394 20 0 "[ . 1 . 2]" 1
1691 1 98 TYR QD 1 99 GLN H . . 4.560 3.237 2.757 3.870 . 0 0 "[ . 1 . 2]" 1
1692 1 98 TYR QD 1 99 GLN HA . . 4.800 3.753 3.293 4.236 . 0 0 "[ . 1 . 2]" 1
1693 1 98 TYR QD 1 99 GLN HG2 . . 4.960 4.151 2.165 5.038 0.078 6 0 "[ . 1 . 2]" 1
1694 1 98 TYR QD 1 99 GLN HG3 . . 4.880 2.958 2.086 3.792 . 0 0 "[ . 1 . 2]" 1
1695 1 98 TYR QE 1 99 GLN QE . . 5.500 4.610 2.690 5.399 . 0 0 "[ . 1 . 2]" 1
1696 1 98 TYR QE 1 99 GLN HG3 . . 5.370 3.933 2.527 5.441 0.071 7 0 "[ . 1 . 2]" 1
1697 1 99 GLN H 1 99 GLN HB2 . . 3.390 2.394 2.125 2.734 . 0 0 "[ . 1 . 2]" 1
1698 1 99 GLN H 1 99 GLN HB3 . . 3.700 3.591 3.451 3.656 . 0 0 "[ . 1 . 2]" 1
1699 1 99 GLN H 1 99 GLN HG2 . . 4.250 3.829 2.203 4.303 0.053 20 0 "[ . 1 . 2]" 1
1700 1 99 GLN H 1 99 GLN HG3 . . 3.560 2.774 2.263 3.622 0.062 6 0 "[ . 1 . 2]" 1
1701 1 99 GLN HA 1 99 GLN HG2 . . 3.660 2.816 2.339 3.471 . 0 0 "[ . 1 . 2]" 1
1702 1 99 GLN HA 1 99 GLN HG3 . . 3.770 2.615 2.097 3.822 0.052 7 0 "[ . 1 . 2]" 1
1703 1 99 GLN HB3 1 100 LYS H . . 5.500 3.715 3.163 4.322 . 0 0 "[ . 1 . 2]" 1
1704 1 100 LYS H 1 101 GLU H . . 4.340 2.686 1.991 3.076 . 0 0 "[ . 1 . 2]" 1
1705 1 100 LYS HA 1 100 LYS QE . . 4.740 3.885 2.490 4.819 0.079 20 0 "[ . 1 . 2]" 1
1706 1 100 LYS HA 1 100 LYS QG . . 3.580 2.342 2.060 3.164 . 0 0 "[ . 1 . 2]" 1
1707 1 100 LYS HA 1 103 GLN H . . 4.040 3.473 2.726 4.087 0.047 14 0 "[ . 1 . 2]" 1
1708 1 100 LYS HA 1 104 ALA H . . 4.640 3.312 2.478 3.902 . 0 0 "[ . 1 . 2]" 1
1709 1 100 LYS QD 1 100 LYS QG . . 2.400 2.087 2.016 2.140 . 0 0 "[ . 1 . 2]" 1
1710 1 100 LYS QG 1 104 ALA H . . 5.100 3.973 3.438 4.594 . 0 0 "[ . 1 . 2]" 1
1711 1 100 LYS QG 1 104 ALA MB . . 2.840 2.805 2.458 2.896 0.056 14 0 "[ . 1 . 2]" 1
1712 1 101 GLU H 1 101 GLU HB3 . . 3.720 3.305 2.017 3.687 . 0 0 "[ . 1 . 2]" 1
1713 1 101 GLU H 1 101 GLU HG3 . . 3.880 4.013 3.149 4.456 0.576 3 4 "[ +-. 1* . * 2]" 1
1714 1 101 GLU HA 1 104 ALA MB . . 3.260 2.805 2.103 3.355 0.095 7 0 "[ . 1 . 2]" 1
1715 1 101 GLU HA 1 105 TYR H . . 4.200 3.715 3.282 4.069 . 0 0 "[ . 1 . 2]" 1
1716 1 101 GLU HA 1 105 TYR HB2 . . 5.100 4.353 3.418 4.739 . 0 0 "[ . 1 . 2]" 1
1717 1 101 GLU HB2 1 102 SER H . . 5.130 3.228 2.547 4.487 . 0 0 "[ . 1 . 2]" 1
1718 1 101 GLU HB3 1 102 SER H . . 5.040 3.152 2.654 3.819 . 0 0 "[ . 1 . 2]" 1
1719 1 102 SER H 1 103 GLN H . . 3.750 2.850 2.597 3.329 . 0 0 "[ . 1 . 2]" 1
1720 1 102 SER HA 1 105 TYR H . . 3.900 3.826 3.583 3.979 0.079 3 0 "[ . 1 . 2]" 1
1721 1 102 SER HA 1 105 TYR HB2 . . 4.120 3.952 3.734 4.188 0.068 6 0 "[ . 1 . 2]" 1
1722 1 102 SER HA 1 105 TYR HB3 . . 3.720 2.788 2.565 3.019 . 0 0 "[ . 1 . 2]" 1
1723 1 102 SER HA 1 105 TYR QD . . 4.860 3.474 2.509 3.859 . 0 0 "[ . 1 . 2]" 1
1724 1 102 SER HA 1 106 TYR H . . 4.560 3.947 3.660 4.625 0.065 15 0 "[ . 1 . 2]" 1
1725 1 102 SER HA 1 106 TYR QD . . 4.510 3.716 2.987 4.333 . 0 0 "[ . 1 . 2]" 1
1726 1 102 SER HA 1 106 TYR QE . . 4.670 3.785 3.079 4.259 . 0 0 "[ . 1 . 2]" 1
1727 1 102 SER QB 1 103 GLN H . . 4.120 2.849 2.164 3.518 . 0 0 "[ . 1 . 2]" 1
1728 1 102 SER QB 1 103 GLN HA . . 4.830 3.988 3.647 4.318 . 0 0 "[ . 1 . 2]" 1
1729 1 102 SER QB 1 105 TYR QD . . 5.100 4.589 3.572 4.984 . 0 0 "[ . 1 . 2]" 1
1730 1 102 SER QB 1 106 TYR QD . . 4.570 2.878 2.360 3.497 . 0 0 "[ . 1 . 2]" 1
1731 1 103 GLN H 1 103 GLN QB . . 3.010 2.209 2.097 2.864 . 0 0 "[ . 1 . 2]" 1
1732 1 103 GLN H 1 103 GLN QG . . 4.290 3.821 1.975 3.988 . 0 0 "[ . 1 . 2]" 1
1733 1 103 GLN HA 1 103 GLN HE21 . . 4.970 4.318 2.868 5.026 0.056 8 0 "[ . 1 . 2]" 1
1734 1 103 GLN HA 1 103 GLN QG . . 3.470 2.434 2.191 3.211 . 0 0 "[ . 1 . 2]" 1
1735 1 103 GLN HA 1 106 TYR H . . 4.160 3.651 3.239 4.190 0.030 3 0 "[ . 1 . 2]" 1
1736 1 103 GLN HA 1 106 TYR HB2 . . 4.240 2.680 2.467 2.934 . 0 0 "[ . 1 . 2]" 1
1737 1 103 GLN HA 1 106 TYR HB3 . . 4.040 4.223 3.993 4.325 0.285 3 0 "[ . 1 . 2]" 1
1738 1 103 GLN HA 1 106 TYR QD . . 3.890 3.160 2.633 3.993 0.103 13 0 "[ . 1 . 2]" 1
1739 1 103 GLN HA 1 107 ASP H . . 4.560 3.783 3.295 4.542 . 0 0 "[ . 1 . 2]" 1
1740 1 103 GLN QB 1 103 GLN HE22 . . 4.810 3.858 3.405 4.571 . 0 0 "[ . 1 . 2]" 1
1741 1 103 GLN QB 1 104 ALA HA . . 4.910 4.161 3.831 4.397 . 0 0 "[ . 1 . 2]" 1
1742 1 103 GLN QG 1 104 ALA HA . . 5.050 3.991 3.258 4.796 . 0 0 "[ . 1 . 2]" 1
1743 1 103 GLN QG 1 107 ASP H . . 5.500 4.145 3.670 5.163 . 0 0 "[ . 1 . 2]" 1
1744 1 104 ALA H 1 104 ALA MB . . 3.070 2.176 2.127 2.225 . 0 0 "[ . 1 . 2]" 1
1745 1 104 ALA H 1 105 TYR H . . 3.180 2.679 2.529 2.956 . 0 0 "[ . 1 . 2]" 1
1746 1 104 ALA H 1 105 TYR HB2 . . 5.270 5.190 4.906 5.336 0.066 8 0 "[ . 1 . 2]" 1
1747 1 104 ALA H 1 106 TYR H . . 5.000 4.537 3.920 4.935 . 0 0 "[ . 1 . 2]" 1
1748 1 104 ALA H 1 108 GLY H . . 5.210 5.263 5.099 5.306 0.096 17 0 "[ . 1 . 2]" 1
1749 1 104 ALA HA 1 107 ASP QB . . 3.280 3.088 2.346 3.374 0.094 3 0 "[ . 1 . 2]" 1
1750 1 104 ALA HA 1 108 GLY H . . 4.040 3.186 2.463 3.510 . 0 0 "[ . 1 . 2]" 1
1751 1 104 ALA MB 1 105 TYR H . . 3.450 2.604 2.435 2.799 . 0 0 "[ . 1 . 2]" 1
1752 1 104 ALA MB 1 105 TYR HA . . 5.410 4.055 3.895 4.145 . 0 0 "[ . 1 . 2]" 1
1753 1 104 ALA MB 1 105 TYR QD . . 5.360 5.442 5.232 5.478 0.118 16 0 "[ . 1 . 2]" 1
1754 1 104 ALA MB 1 107 ASP H . . 5.500 4.854 4.268 5.176 . 0 0 "[ . 1 . 2]" 1
1755 1 104 ALA MB 1 107 ASP QB . . 4.740 4.502 3.911 4.751 0.011 11 0 "[ . 1 . 2]" 1
1756 1 104 ALA MB 1 108 GLY H . . 5.500 4.319 3.501 4.649 . 0 0 "[ . 1 . 2]" 1
1757 1 105 TYR H 1 105 TYR HB2 . . 3.110 2.627 2.434 2.757 . 0 0 "[ . 1 . 2]" 1
1758 1 105 TYR H 1 105 TYR HB3 . . 3.070 2.301 2.083 2.429 . 0 0 "[ . 1 . 2]" 1
1759 1 105 TYR H 1 105 TYR QD . . 4.340 4.112 3.942 4.208 . 0 0 "[ . 1 . 2]" 1
1760 1 105 TYR H 1 106 TYR H . . 3.470 2.931 2.653 3.196 . 0 0 "[ . 1 . 2]" 1
1761 1 105 TYR H 1 107 ASP H . . 5.090 4.126 3.848 4.308 . 0 0 "[ . 1 . 2]" 1
1762 1 105 TYR H 1 108 GLY H . . 5.120 4.558 4.303 4.853 . 0 0 "[ . 1 . 2]" 1
1763 1 105 TYR HA 1 105 TYR QD . . 3.720 2.639 2.208 3.320 . 0 0 "[ . 1 . 2]" 1
1764 1 105 TYR HA 1 109 ARG HB3 . . 4.630 4.290 3.786 4.710 0.080 17 0 "[ . 1 . 2]" 1
1765 1 105 TYR HB3 1 106 TYR H . . 3.420 2.339 2.027 3.280 . 0 0 "[ . 1 . 2]" 1
1766 1 105 TYR QD 1 106 TYR H . . 4.370 2.900 2.408 3.552 . 0 0 "[ . 1 . 2]" 1
1767 1 105 TYR QD 1 106 TYR HB2 . . 4.910 4.338 3.793 4.983 0.073 13 0 "[ . 1 . 2]" 1
1768 1 105 TYR QD 1 106 TYR QD . . 4.870 2.973 2.511 3.290 . 0 0 "[ . 1 . 2]" 1
1769 1 105 TYR QE 1 106 TYR HA . . 4.700 4.483 3.899 4.790 0.090 10 0 "[ . 1 . 2]" 1
1770 1 105 TYR QE 1 106 TYR QE . . 3.650 2.660 2.183 3.667 0.017 13 0 "[ . 1 . 2]" 1
1771 1 106 TYR H 1 106 TYR HB2 . . 3.490 2.326 2.174 2.548 . 0 0 "[ . 1 . 2]" 1
1772 1 106 TYR H 1 106 TYR HB3 . . 3.400 3.484 3.449 3.554 0.154 10 0 "[ . 1 . 2]" 1
1773 1 106 TYR H 1 106 TYR QD . . 3.960 3.111 2.583 3.448 . 0 0 "[ . 1 . 2]" 1
1774 1 106 TYR H 1 106 TYR QE . . 5.500 4.666 4.292 5.132 . 0 0 "[ . 1 . 2]" 1
1775 1 106 TYR H 1 107 ASP H . . 3.430 2.857 2.201 3.147 . 0 0 "[ . 1 . 2]" 1
1776 1 106 TYR H 1 109 ARG HE . . 4.810 4.834 4.267 4.898 0.088 7 0 "[ . 1 . 2]" 1
1777 1 106 TYR HA 1 106 TYR QD . . 3.150 2.313 2.108 2.898 . 0 0 "[ . 1 . 2]" 1
1778 1 106 TYR HA 1 106 TYR QE . . 4.490 4.453 4.318 4.571 0.081 5 0 "[ . 1 . 2]" 1
1779 1 106 TYR HA 1 107 ASP H . . 3.530 3.507 3.342 3.570 0.040 7 0 "[ . 1 . 2]" 1
1780 1 106 TYR HA 1 109 ARG H . . 4.550 4.215 3.798 4.635 0.085 15 0 "[ . 1 . 2]" 1
1781 1 106 TYR HA 1 109 ARG QG . . 4.610 2.308 2.033 2.691 . 0 0 "[ . 1 . 2]" 1
1782 1 106 TYR HB2 1 107 ASP H . . 3.990 2.915 2.555 3.370 . 0 0 "[ . 1 . 2]" 1
1783 1 106 TYR HB3 1 107 ASP H . . 3.840 3.688 3.306 4.063 0.223 10 0 "[ . 1 . 2]" 1
1784 1 106 TYR HB3 1 108 GLY H . . 5.500 5.801 5.557 6.224 0.724 10 4 "[ * +-* . 2]" 1
1785 1 106 TYR HB3 1 109 ARG QG . . 4.460 4.303 4.082 4.558 0.098 19 0 "[ . 1 . 2]" 1
1786 1 106 TYR QD 1 107 ASP H . . 4.730 4.664 4.501 4.821 0.091 10 0 "[ . 1 . 2]" 1
1787 1 106 TYR QD 1 109 ARG QG . . 5.050 3.772 3.246 4.443 . 0 0 "[ . 1 . 2]" 1
1788 1 107 ASP H 1 107 ASP QB . . 2.960 2.279 2.152 2.549 . 0 0 "[ . 1 . 2]" 1
1789 1 107 ASP H 1 108 GLY H . . 3.270 2.280 2.122 2.519 . 0 0 "[ . 1 . 2]" 1
1790 1 107 ASP H 1 108 GLY QA . . 4.850 4.186 4.018 4.384 . 0 0 "[ . 1 . 2]" 1
1791 1 107 ASP HA 1 107 ASP QB . . 2.680 2.408 2.303 2.555 . 0 0 "[ . 1 . 2]" 1
1792 1 107 ASP HA 1 108 GLY QA . . 4.910 4.528 4.478 4.580 . 0 0 "[ . 1 . 2]" 1
1793 1 107 ASP HA 1 109 ARG H . . 4.780 4.110 3.343 4.699 . 0 0 "[ . 1 . 2]" 1
1794 1 107 ASP HA 1 110 ARG H . . 4.940 4.115 3.470 4.969 0.029 14 0 "[ . 1 . 2]" 1
1795 1 107 ASP HA 1 110 ARG QD . . 4.530 3.573 2.197 4.440 . 0 0 "[ . 1 . 2]" 1
1796 1 107 ASP HA 1 110 ARG QG . . 4.540 2.503 2.071 3.723 . 0 0 "[ . 1 . 2]" 1
1797 1 107 ASP QB 1 108 GLY H . . 3.490 2.532 2.283 2.798 . 0 0 "[ . 1 . 2]" 1
1798 1 107 ASP QB 1 108 GLY QA . . 4.600 3.774 3.489 3.943 . 0 0 "[ . 1 . 2]" 1
1799 1 107 ASP QB 1 109 ARG H . . 4.650 4.569 4.243 4.724 0.074 16 0 "[ . 1 . 2]" 1
1800 1 107 ASP QB 1 109 ARG QG . . 4.920 4.957 4.410 5.047 0.127 17 0 "[ . 1 . 2]" 1
1801 1 107 ASP QB 1 110 ARG QG . . 5.200 4.297 3.899 5.288 0.088 13 0 "[ . 1 . 2]" 1
1802 1 108 GLY H 1 108 GLY QA . . 2.610 2.200 2.166 2.223 . 0 0 "[ . 1 . 2]" 1
1803 1 108 GLY QA 1 109 ARG H . . 3.480 2.773 2.564 2.982 . 0 0 "[ . 1 . 2]" 1
1804 1 108 GLY QA 1 109 ARG HA . . 4.780 4.065 4.002 4.139 . 0 0 "[ . 1 . 2]" 1
1805 1 108 GLY QA 1 109 ARG QG . . 5.120 4.342 4.198 4.500 . 0 0 "[ . 1 . 2]" 1
1806 1 108 GLY QA 1 110 ARG H . . 4.510 3.483 3.314 3.848 . 0 0 "[ . 1 . 2]" 1
1807 1 109 ARG H 1 109 ARG HB2 . . 3.700 3.661 3.554 3.790 0.090 14 0 "[ . 1 . 2]" 1
1808 1 109 ARG H 1 109 ARG HB3 . . 3.730 2.704 2.388 3.264 . 0 0 "[ . 1 . 2]" 1
1809 1 109 ARG H 1 109 ARG QD . . 5.450 3.902 3.403 4.244 . 0 0 "[ . 1 . 2]" 1
1810 1 109 ARG H 1 110 ARG H . . 3.670 2.873 2.140 3.269 . 0 0 "[ . 1 . 2]" 1
1811 1 109 ARG H 1 111 SER H . . 5.290 4.889 4.151 5.360 0.070 3 0 "[ . 1 . 2]" 1
1812 1 109 ARG HA 1 109 ARG HB2 . . 2.990 2.418 2.373 2.491 . 0 0 "[ . 1 . 2]" 1
1813 1 109 ARG HA 1 109 ARG HB3 . . 2.900 2.439 2.356 2.524 . 0 0 "[ . 1 . 2]" 1
1814 1 109 ARG HA 1 109 ARG QG . . 3.340 3.422 3.343 3.443 0.103 19 0 "[ . 1 . 2]" 1
1815 1 109 ARG HA 1 110 ARG H . . 2.990 3.043 2.783 3.081 0.091 2 0 "[ . 1 . 2]" 1
1816 1 109 ARG HA 1 110 ARG QD . . 4.800 4.840 4.634 4.902 0.102 20 0 "[ . 1 . 2]" 1
1817 1 109 ARG HA 1 111 SER H . . 4.750 4.457 3.551 4.824 0.074 6 0 "[ . 1 . 2]" 1
1818 1 109 ARG HB2 1 109 ARG QD . . 3.900 2.212 2.121 2.373 . 0 0 "[ . 1 . 2]" 1
1819 1 109 ARG HB2 1 109 ARG QG . . 2.640 2.527 2.426 2.591 . 0 0 "[ . 1 . 2]" 1
1820 1 109 ARG HB3 1 109 ARG QD . . 3.840 3.251 2.910 3.402 . 0 0 "[ . 1 . 2]" 1
1821 1 109 ARG QD 1 110 ARG QD . . 2.400 2.334 2.050 2.524 0.124 3 0 "[ . 1 . 2]" 1
1822 1 109 ARG HE 1 110 ARG QD . . 4.070 3.789 2.862 4.171 0.101 13 0 "[ . 1 . 2]" 1
1823 1 110 ARG H 1 110 ARG HB2 . . 3.210 2.500 2.064 2.706 . 0 0 "[ . 1 . 2]" 1
1824 1 110 ARG H 1 110 ARG HB3 . . 3.610 3.610 3.288 3.702 0.092 6 0 "[ . 1 . 2]" 1
1825 1 110 ARG H 1 110 ARG QD . . 5.260 3.395 2.569 3.892 . 0 0 "[ . 1 . 2]" 1
1826 1 110 ARG H 1 110 ARG QG . . 3.840 2.897 2.406 3.925 0.085 7 0 "[ . 1 . 2]" 1
1827 1 110 ARG H 1 111 SER H . . 3.550 2.291 1.975 2.624 . 0 0 "[ . 1 . 2]" 1
1828 1 110 ARG HA 1 110 ARG HB2 . . 3.060 3.040 2.961 3.072 0.012 10 0 "[ . 1 . 2]" 1
1829 1 110 ARG HA 1 110 ARG HB3 . . 2.970 2.487 2.343 2.802 . 0 0 "[ . 1 . 2]" 1
1830 1 110 ARG HA 1 110 ARG QD . . 3.390 2.236 2.041 2.611 . 0 0 "[ . 1 . 2]" 1
1831 1 110 ARG HA 1 110 ARG QG . . 3.400 2.975 2.271 3.256 . 0 0 "[ . 1 . 2]" 1
1832 1 110 ARG HB2 1 110 ARG QD . . 3.770 3.256 2.449 3.603 . 0 0 "[ . 1 . 2]" 1
1833 1 110 ARG HB2 1 110 ARG QG . . 2.670 2.209 2.130 2.377 . 0 0 "[ . 1 . 2]" 1
1834 1 110 ARG HB2 1 111 SER H . . 4.070 2.512 2.098 3.667 . 0 0 "[ . 1 . 2]" 1
1835 1 110 ARG HB3 1 110 ARG QD . . 3.100 2.893 2.431 3.431 0.331 13 0 "[ . 1 . 2]" 1
1836 1 110 ARG HB3 1 110 ARG QG . . 2.740 2.302 2.163 2.383 . 0 0 "[ . 1 . 2]" 1
1837 1 110 ARG HB3 1 111 SER H . . 3.780 3.429 2.504 3.854 0.074 4 0 "[ . 1 . 2]" 1
1838 1 110 ARG QD 1 111 SER H . . 5.280 4.731 4.282 4.967 . 0 0 "[ . 1 . 2]" 1
1839 1 110 ARG QG 1 111 SER H . . 5.230 4.016 3.548 4.914 . 0 0 "[ . 1 . 2]" 1
1840 1 111 SER H 1 111 SER HB3 . . 3.410 3.443 3.013 4.120 0.710 7 4 "[ * -. + *1 . 2]" 1
1841 1 111 SER H 1 112 SER H . . 3.620 3.013 1.935 3.704 0.084 17 0 "[ . 1 . 2]" 1
1842 1 111 SER HA 1 111 SER HB2 . . 2.770 2.705 2.315 3.069 0.299 9 0 "[ . 1 . 2]" 1
1843 1 111 SER HA 1 112 SER H . . 3.070 2.409 1.923 3.122 0.052 19 0 "[ . 1 . 2]" 1
1844 1 111 SER HA 1 112 SER HA . . 3.940 4.015 3.831 4.037 0.097 14 0 "[ . 1 . 2]" 1
1845 1 112 SER H 1 112 SER QB . . 3.560 3.179 2.833 3.429 . 0 0 "[ . 1 . 2]" 1
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