Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476973 | 2l1n RC | 17090 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1n
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 2101
_Distance_constraint_stats_list.Viol_count 4689
_Distance_constraint_stats_list.Viol_total 7775.825
_Distance_constraint_stats_list.Viol_max 0.935
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0829
_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 MET 8.324 0.709 3 5 "[* + . 1 - . * *2]"
1 2 GLY 4.132 0.103 13 0 "[ . 1 . 2]"
1 3 ILE 8.401 0.105 17 0 "[ . 1 . 2]"
1 4 THR 7.190 0.146 16 0 "[ . 1 . 2]"
1 5 ILE 12.051 0.935 11 2 "[ . -+ . 2]"
1 6 THR 12.469 0.777 12 1 "[ . 1 + . 2]"
1 7 ASP 2.780 0.759 10 1 "[ . + . 2]"
1 8 GLU 9.229 0.777 12 6 "[ * . * 1 + . ** -]"
1 9 LEU 7.000 0.306 4 0 "[ . 1 . 2]"
1 10 LEU 2.491 0.759 10 1 "[ . + . 2]"
1 11 TRP 7.364 0.717 10 2 "[ - . + . 2]"
1 12 ALA 0.830 0.100 8 0 "[ . 1 . 2]"
1 13 ILE 8.218 0.486 11 0 "[ . 1 . 2]"
1 14 LEU 2.283 0.097 2 0 "[ . 1 . 2]"
1 15 LYS 3.120 0.096 7 0 "[ . 1 . 2]"
1 16 ASP 0.376 0.072 2 0 "[ . 1 . 2]"
1 17 GLU 3.284 0.117 1 0 "[ . 1 . 2]"
1 18 LEU 7.555 0.103 19 0 "[ . 1 . 2]"
1 19 SER 2.719 0.102 11 0 "[ . 1 . 2]"
1 20 ASP 1.197 0.101 13 0 "[ . 1 . 2]"
1 21 ALA 1.443 0.119 19 0 "[ . 1 . 2]"
1 22 GLU 2.788 0.478 19 0 "[ . 1 . 2]"
1 23 ALA 4.435 0.188 7 0 "[ . 1 . 2]"
1 24 ASN 5.175 0.115 15 0 "[ . 1 . 2]"
1 25 ALA 4.890 0.116 8 0 "[ . 1 . 2]"
1 26 LEU 8.905 0.099 4 0 "[ . 1 . 2]"
1 27 VAL 4.807 0.116 2 0 "[ . 1 . 2]"
1 28 TRP 3.589 0.086 10 0 "[ . 1 . 2]"
1 29 GLN 11.742 0.116 8 0 "[ . 1 . 2]"
1 30 ALA 10.446 0.560 19 4 "[* . 1 - . * +2]"
1 31 LEU 5.446 0.164 13 0 "[ . 1 . 2]"
1 32 GLY 1.621 0.452 7 0 "[ . 1 . 2]"
1 33 TYR 4.005 0.353 10 0 "[ . 1 . 2]"
1 34 VAL 1.346 0.129 3 0 "[ . 1 . 2]"
1 35 TRP 16.632 0.734 10 6 "[** . +* - . * 2]"
1 36 ASP 2.779 0.132 18 0 "[ . 1 . 2]"
1 37 GLU 4.351 0.082 1 0 "[ . 1 . 2]"
1 38 ALA 5.455 0.102 15 0 "[ . 1 . 2]"
1 39 GLN 4.222 0.104 17 0 "[ . 1 . 2]"
1 40 SER 14.126 0.734 10 6 "[** . +* - . * 2]"
1 41 CYS 7.459 0.351 4 0 "[ . 1 . 2]"
1 42 TRP 13.197 0.351 4 0 "[ . 1 . 2]"
1 43 LYS 6.445 0.584 15 2 "[ -. 1 + 2]"
1 44 THR 4.899 0.115 3 0 "[ . 1 . 2]"
1 45 ASP 2.449 0.092 1 0 "[ . 1 . 2]"
1 46 LEU 4.702 0.709 3 1 "[ + . 1 . 2]"
1 47 VAL 6.423 0.244 15 0 "[ . 1 . 2]"
1 48 ALA 5.640 0.445 19 0 "[ . 1 . 2]"
1 49 PRO 5.355 0.445 19 0 "[ . 1 . 2]"
1 50 GLU 5.076 0.288 6 0 "[ . 1 . 2]"
1 51 TRP 13.157 0.725 19 6 "[ * . *1* *. +-]"
1 52 ARG 7.134 0.244 15 0 "[ . 1 . 2]"
1 53 GLN 5.596 0.098 9 0 "[ . 1 . 2]"
1 54 ASP 7.600 0.677 12 2 "[ . - + . 2]"
1 55 TYR 12.618 0.677 12 2 "[ . - + . 2]"
1 56 PRO 3.102 0.090 20 0 "[ . 1 . 2]"
1 57 GLU 3.863 0.203 18 0 "[ . 1 . 2]"
1 58 PRO 2.290 0.086 10 0 "[ . 1 . 2]"
1 59 PRO 4.146 0.094 16 0 "[ . 1 . 2]"
1 60 ASP 1.084 0.078 17 0 "[ . 1 . 2]"
1 61 PHE 5.653 0.428 20 0 "[ . 1 . 2]"
1 62 ILE 7.921 0.852 20 2 "[ . 1 - . +]"
1 63 ALA 0.734 0.119 15 0 "[ . 1 . 2]"
1 64 SER 2.503 0.088 10 0 "[ . 1 . 2]"
1 65 ARG 10.626 0.330 11 0 "[ . 1 . 2]"
1 66 PRO 3.696 0.293 14 0 "[ . 1 . 2]"
1 67 ALA 4.340 0.293 14 0 "[ . 1 . 2]"
1 68 THR 2.278 0.116 17 0 "[ . 1 . 2]"
1 69 VAL 6.799 0.311 8 0 "[ . 1 . 2]"
1 70 LYS 5.634 0.296 18 0 "[ . 1 . 2]"
1 71 LEU 14.287 0.795 19 9 "[ ** .* *1* ** +-]"
1 72 THR 6.989 0.116 17 0 "[ . 1 . 2]"
1 73 ARG 14.998 0.422 9 0 "[ . 1 . 2]"
1 74 SER 2.287 0.297 11 0 "[ . 1 . 2]"
1 75 ILE 6.426 0.861 10 2 "[- . + . 2]"
1 76 PRO 2.811 0.108 4 0 "[ . 1 . 2]"
1 77 ALA 4.410 0.169 19 0 "[ . 1 . 2]"
1 78 PRO 2.964 0.088 19 0 "[ . 1 . 2]"
1 79 TYR 16.159 0.720 18 3 "[ . - 1* . + 2]"
1 80 LYS 7.157 0.169 19 0 "[ . 1 . 2]"
1 81 GLN 3.176 0.153 14 0 "[ . 1 . 2]"
1 82 LEU 2.494 0.731 11 1 "[ . 1+ . 2]"
1 83 LEU 1.433 0.102 13 0 "[ . 1 . 2]"
1 84 LYS 3.069 0.241 5 0 "[ . 1 . 2]"
1 85 GLU 7.794 0.865 14 4 "[* * . 1 - +. 2]"
1 86 GLU 9.045 0.865 14 5 "[* * . 1*- +. 2]"
1 87 LEU 4.330 0.588 2 1 "[ + . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 4.887 0.123 10 0 "[ . 1 . 2]"
1 90 ALA 2.532 0.123 10 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 7.260 0.763 10 2 "[ . + .- 2]"
1 93 SER 2.977 0.330 14 0 "[ . 1 . 2]"
1 94 ILE 11.062 0.282 10 0 "[ . 1 . 2]"
1 95 ASN 12.599 0.532 13 2 "[ . 1 + . -]"
1 96 GLU 6.314 0.532 13 2 "[ . 1 + . -]"
1 97 LEU 6.980 0.120 14 0 "[ . 1 . 2]"
1 98 VAL 9.219 0.372 1 0 "[ . 1 . 2]"
1 99 PRO 0.214 0.069 17 0 "[ . 1 . 2]"
1 100 ARG 3.909 0.124 14 0 "[ . 1 . 2]"
1 101 LYS 14.940 0.763 10 8 "[*- . ** + .* * *]"
1 102 THR 1.806 0.126 11 0 "[ . 1 . 2]"
1 103 ARG 4.009 0.852 20 1 "[ . 1 . +]"
1 104 ARG 1.923 0.486 11 0 "[ . 1 . 2]"
1 105 ALA 3.052 0.136 16 0 "[ . 1 . 2]"
1 106 THR 2.427 0.097 1 0 "[ . 1 . 2]"
1 107 MET 5.177 0.702 12 1 "[ . 1 + . 2]"
1 108 THR 2.605 0.100 16 0 "[ . 1 . 2]"
1 109 ASN 6.776 0.861 10 2 "[- . + . 2]"
1 110 TRP 11.152 0.795 19 8 "[ ** .* -1* ** +2]"
1 111 LEU 2.670 0.100 16 0 "[ . 1 . 2]"
1 112 LEU 6.371 0.418 10 0 "[ . 1 . 2]"
1 113 ALA 3.443 0.301 16 0 "[ . 1 . 2]"
1 114 TYR 7.781 0.301 16 0 "[ . 1 . 2]"
1 115 ARG 8.264 0.935 11 2 "[ . -+ . 2]"
1 116 ARG 7.804 0.720 18 3 "[ . - 1* . + 2]"
1 117 SER 2.395 0.110 20 0 "[ . 1 . 2]"
1 118 GLN 5.510 0.558 9 1 "[ . +1 . 2]"
1 119 GLN 7.190 0.558 9 1 "[ . +1 . 2]"
1 120 ASP 2.180 0.102 16 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 MET HA 1 1 MET ME . . 4.850 4.571 3.954 4.973 0.123 19 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET HG2 . . 4.220 3.754 3.600 4.224 0.004 9 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 1 MET HG3 . . 4.010 3.297 2.499 3.945 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 GLY H . . 3.070 2.661 2.211 3.166 0.096 4 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 2 GLY H . . 4.410 3.620 2.022 4.141 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 46 LEU QD . . 5.430 2.523 2.002 3.349 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 1 MET HG2 . . 3.490 2.442 2.042 3.365 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 3 ILE HB . . 4.860 4.852 4.393 4.965 0.105 17 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 3 ILE MD . . 3.360 2.060 1.923 2.481 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET ME 1 29 GLN HE21 . . 4.940 4.893 4.451 5.050 0.110 4 0 "[ . 1 . 2]" 1
11 1 1 MET ME 1 30 ALA H . . 5.500 5.049 4.745 5.565 0.065 3 0 "[ . 1 . 2]" 1
12 1 1 MET ME 1 30 ALA HA . . 4.270 4.231 3.955 4.366 0.096 14 0 "[ . 1 . 2]" 1
13 1 1 MET HG2 1 2 GLY H . . 5.400 4.250 3.623 4.986 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET HG2 1 3 ILE H . . 5.190 4.359 3.609 5.276 0.086 9 0 "[ . 1 . 2]" 1
15 1 1 MET HG2 1 30 ALA HA . . 5.050 4.038 3.041 5.093 0.043 6 0 "[ . 1 . 2]" 1
16 1 1 MET HG3 1 3 ILE H . . 4.840 3.449 3.018 4.308 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET HG3 1 30 ALA HA . . 4.560 4.477 3.351 5.120 0.560 19 4 "[* . 1 - . * +2]" 1
18 1 1 MET HG3 1 46 LEU QD . . 4.190 4.092 3.623 4.899 0.709 3 1 "[ + . 1 . 2]" 1
19 1 2 GLY H 1 3 ILE H . . 3.410 3.323 2.828 3.492 0.082 10 0 "[ . 1 . 2]" 1
20 1 2 GLY H 1 3 ILE HG13 . . 5.440 4.024 3.277 4.425 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLY HA2 1 3 ILE H . . 2.920 2.470 2.160 2.940 0.020 12 0 "[ . 1 . 2]" 1
22 1 2 GLY HA2 1 3 ILE HB . . 5.010 4.938 4.563 5.090 0.080 12 0 "[ . 1 . 2]" 1
23 1 2 GLY HA2 1 3 ILE HG13 . . 5.330 4.203 3.815 4.734 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLY HA2 1 118 GLN HE21 . . 5.100 3.568 2.201 4.960 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLY HA3 1 3 ILE HG13 . . 5.040 5.109 5.033 5.130 0.090 16 0 "[ . 1 . 2]" 1
26 1 2 GLY HA3 1 118 GLN HE21 . . 5.090 4.234 2.768 5.172 0.082 10 0 "[ . 1 . 2]" 1
27 1 2 GLY HA3 1 118 GLN QG . . 5.110 4.866 4.153 5.213 0.103 13 0 "[ . 1 . 2]" 1
28 1 3 ILE H 1 3 ILE HB . . 3.090 2.636 2.413 2.783 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE H 1 3 ILE HG12 . . 3.640 3.140 2.770 3.502 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE H 1 3 ILE HG13 . . 3.410 1.981 1.753 2.306 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE H 1 4 THR H . . 4.620 4.592 4.498 4.658 0.038 13 0 "[ . 1 . 2]" 1
32 1 3 ILE H 1 114 TYR QE . . 4.110 3.361 2.695 4.161 0.051 5 0 "[ . 1 . 2]" 1
33 1 3 ILE HA 1 3 ILE MD . . 4.040 3.922 3.816 4.033 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE HA 1 3 ILE HG12 . . 3.820 2.684 2.492 2.838 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE HA 1 3 ILE HG13 . . 3.780 3.273 2.976 3.385 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HA 1 3 ILE MG . . 3.100 2.395 2.296 2.528 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE HA 1 4 THR H . . 2.520 2.309 2.159 2.462 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE HB 1 4 THR H . . 3.590 3.616 3.287 3.676 0.086 9 0 "[ . 1 . 2]" 1
39 1 3 ILE HB 1 29 GLN HG3 . . 5.080 4.978 4.595 5.154 0.074 4 0 "[ . 1 . 2]" 1
40 1 3 ILE HB 1 114 TYR QE . . 4.080 3.517 2.578 4.139 0.059 4 0 "[ . 1 . 2]" 1
41 1 3 ILE MD 1 4 THR H . . 4.750 4.782 4.636 4.847 0.097 9 0 "[ . 1 . 2]" 1
42 1 3 ILE MD 1 29 GLN HB2 . . 4.190 2.263 2.087 2.601 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE MD 1 29 GLN HB3 . . 4.250 3.671 3.506 4.015 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE MD 1 29 GLN HE21 . . 5.090 3.876 2.813 4.403 . 0 0 "[ . 1 . 2]" 1
45 1 3 ILE MD 1 29 GLN HG3 . . 4.280 2.570 2.155 2.826 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE MD 1 30 ALA H . . 3.410 3.191 2.997 3.479 0.069 8 0 "[ . 1 . 2]" 1
47 1 3 ILE HG12 1 3 ILE MG . . 3.310 2.403 2.284 2.543 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE HG12 1 4 THR H . . 4.430 4.470 4.313 4.513 0.083 8 0 "[ . 1 . 2]" 1
49 1 3 ILE HG13 1 114 TYR QE . . 4.710 4.357 3.859 4.766 0.056 9 0 "[ . 1 . 2]" 1
50 1 3 ILE MG 1 4 THR H . . 3.460 2.046 1.778 2.243 . 0 0 "[ . 1 . 2]" 1
51 1 3 ILE MG 1 4 THR HA . . 5.300 4.072 3.895 4.192 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE MG 1 29 GLN HE21 . . 5.500 5.057 3.994 5.572 0.072 13 0 "[ . 1 . 2]" 1
53 1 3 ILE MG 1 118 GLN HE22 . . 5.500 5.225 4.792 5.581 0.081 17 0 "[ . 1 . 2]" 1
54 1 4 THR H 1 4 THR HB . . 2.890 2.451 2.250 2.578 . 0 0 "[ . 1 . 2]" 1
55 1 4 THR H 1 4 THR MG . . 3.740 3.770 3.700 3.825 0.085 18 0 "[ . 1 . 2]" 1
56 1 4 THR H 1 5 ILE H . . 4.720 4.545 4.149 4.706 . 0 0 "[ . 1 . 2]" 1
57 1 4 THR HA 1 4 THR MG . . 2.890 2.441 2.320 2.585 . 0 0 "[ . 1 . 2]" 1
58 1 4 THR HA 1 5 ILE H . . 2.650 2.317 2.163 2.477 . 0 0 "[ . 1 . 2]" 1
59 1 4 THR HB 1 5 ILE H . . 4.540 4.115 3.761 4.479 . 0 0 "[ . 1 . 2]" 1
60 1 4 THR MG 1 5 ILE H . . 3.260 2.626 2.252 3.234 . 0 0 "[ . 1 . 2]" 1
61 1 4 THR MG 1 5 ILE MG . . 4.680 4.764 4.651 4.826 0.146 16 0 "[ . 1 . 2]" 1
62 1 4 THR MG 1 6 THR H . . 4.310 4.240 3.717 4.419 0.109 13 0 "[ . 1 . 2]" 1
63 1 4 THR MG 1 6 THR HA . . 4.330 4.196 3.819 4.421 0.091 14 0 "[ . 1 . 2]" 1
64 1 4 THR MG 1 115 ARG HD2 . . 5.500 4.717 3.337 5.473 . 0 0 "[ . 1 . 2]" 1
65 1 5 ILE H 1 5 ILE HB . . 3.360 2.538 2.227 2.790 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE H 1 5 ILE MD . . 3.980 3.674 2.291 4.083 0.103 8 0 "[ . 1 . 2]" 1
67 1 5 ILE H 1 5 ILE HG12 . . 4.070 2.772 2.378 3.839 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE H 1 5 ILE HG13 . . 3.910 3.972 3.785 4.126 0.216 7 0 "[ . 1 . 2]" 1
69 1 5 ILE H 1 5 ILE MG . . 3.980 3.826 3.687 3.940 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE H 1 6 THR H . . 4.680 4.388 3.911 4.636 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE H 1 6 THR MG . . 5.310 4.510 4.137 5.098 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE H 1 115 ARG HD2 . . 5.500 3.735 3.042 4.665 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE H 1 115 ARG HD3 . . 5.140 4.600 3.822 5.214 0.074 6 0 "[ . 1 . 2]" 1
74 1 5 ILE HA 1 5 ILE MD . . 3.320 2.336 2.147 2.543 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE HA 1 5 ILE HG12 . . 3.820 3.201 2.982 3.828 0.008 7 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 5 ILE MG . . 3.210 2.444 2.233 2.686 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HA 1 6 THR H . . 2.910 2.199 2.026 2.337 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HA 1 6 THR MG . . 3.950 4.025 3.940 4.062 0.112 7 0 "[ . 1 . 2]" 1
79 1 5 ILE HB 1 115 ARG HD2 . . 4.420 2.756 2.062 3.728 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE HB 1 115 ARG HD3 . . 4.030 2.761 2.166 3.668 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE MD 1 6 THR H . . 4.020 3.910 3.681 4.132 0.112 7 0 "[ . 1 . 2]" 1
82 1 5 ILE MD 1 114 TYR HB3 . . 4.650 4.374 3.730 4.727 0.077 9 0 "[ . 1 . 2]" 1
83 1 5 ILE MD 1 114 TYR QD . . 3.280 3.124 2.356 3.372 0.092 15 0 "[ . 1 . 2]" 1
84 1 5 ILE MD 1 115 ARG H . . 4.930 4.818 4.371 5.038 0.108 13 0 "[ . 1 . 2]" 1
85 1 5 ILE MD 1 115 ARG HD2 . . 5.340 5.383 4.553 6.275 0.935 11 2 "[ . -+ . 2]" 1
86 1 5 ILE HG12 1 5 ILE MG . . 3.400 3.186 2.341 3.259 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE HG12 1 6 THR H . . 5.040 5.099 4.983 5.153 0.113 7 0 "[ . 1 . 2]" 1
88 1 5 ILE HG12 1 114 TYR QD . . 4.490 3.211 2.598 4.077 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE HG13 1 114 TYR QD . . 5.230 2.946 2.196 4.126 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE MG 1 6 THR H . . 3.650 2.528 2.185 3.251 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE MG 1 6 THR HB . . 5.330 5.045 4.805 5.378 0.048 16 0 "[ . 1 . 2]" 1
92 1 5 ILE MG 1 9 LEU QB . . 4.130 3.565 2.386 4.081 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE MG 1 10 LEU H . . 4.240 4.094 3.479 4.342 0.102 5 0 "[ . 1 . 2]" 1
94 1 5 ILE MG 1 10 LEU HG . . 4.140 2.655 2.137 3.576 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE MG 1 115 ARG H . . 5.250 4.372 3.708 5.117 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE MG 1 115 ARG HB2 . . 4.900 4.437 3.001 4.983 0.083 13 0 "[ . 1 . 2]" 1
97 1 5 ILE MG 1 115 ARG HB3 . . 4.580 3.718 3.249 4.185 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE MG 1 115 ARG HD2 . . 4.210 3.554 2.330 4.281 0.071 13 0 "[ . 1 . 2]" 1
99 1 5 ILE MG 1 115 ARG HD3 . . 3.920 2.953 2.184 4.013 0.093 6 0 "[ . 1 . 2]" 1
100 1 6 THR H 1 6 THR MG . . 3.110 3.091 2.485 3.215 0.105 15 0 "[ . 1 . 2]" 1
101 1 6 THR H 1 7 ASP H . . 4.890 4.417 4.313 4.636 . 0 0 "[ . 1 . 2]" 1
102 1 6 THR H 1 9 LEU H . . 4.470 4.009 3.583 4.341 . 0 0 "[ . 1 . 2]" 1
103 1 6 THR H 1 9 LEU QB . . 3.920 2.833 2.238 3.161 . 0 0 "[ . 1 . 2]" 1
104 1 6 THR H 1 9 LEU QD . . 3.410 3.104 2.281 3.534 0.124 1 0 "[ . 1 . 2]" 1
105 1 6 THR HA 1 6 THR MG . . 3.030 2.174 2.064 2.247 . 0 0 "[ . 1 . 2]" 1
106 1 6 THR HA 1 7 ASP H . . 3.050 2.183 2.098 2.252 . 0 0 "[ . 1 . 2]" 1
107 1 6 THR HA 1 8 GLU H . . 4.070 3.912 3.681 4.127 0.057 1 0 "[ . 1 . 2]" 1
108 1 6 THR HA 1 9 LEU H . . 5.230 4.578 4.340 4.760 . 0 0 "[ . 1 . 2]" 1
109 1 6 THR HB 1 7 ASP H . . 3.320 3.163 2.836 3.399 0.079 8 0 "[ . 1 . 2]" 1
110 1 6 THR HB 1 8 GLU H . . 3.290 2.601 2.428 2.740 . 0 0 "[ . 1 . 2]" 1
111 1 6 THR HB 1 8 GLU QB . . 3.790 3.122 2.271 3.725 . 0 0 "[ . 1 . 2]" 1
112 1 6 THR HB 1 8 GLU HG2 . . 5.120 3.899 2.088 5.200 0.080 2 0 "[ . 1 . 2]" 1
113 1 6 THR HB 1 8 GLU HG3 . . 4.770 3.549 1.988 5.215 0.445 12 0 "[ . 1 . 2]" 1
114 1 6 THR HB 1 9 LEU H . . 3.980 3.022 2.652 3.281 . 0 0 "[ . 1 . 2]" 1
115 1 6 THR HB 1 9 LEU QB . . 4.280 3.587 3.305 4.001 . 0 0 "[ . 1 . 2]" 1
116 1 6 THR HB 1 9 LEU QD . . 4.360 4.409 3.904 4.482 0.122 18 0 "[ . 1 . 2]" 1
117 1 6 THR MG 1 7 ASP H . . 3.610 3.558 3.383 3.696 0.086 8 0 "[ . 1 . 2]" 1
118 1 6 THR MG 1 8 GLU H . . 4.030 4.107 3.958 4.144 0.114 15 0 "[ . 1 . 2]" 1
119 1 6 THR MG 1 8 GLU QB . . 4.860 4.275 3.722 4.730 . 0 0 "[ . 1 . 2]" 1
120 1 6 THR MG 1 8 GLU HG3 . . 5.500 4.572 3.491 6.277 0.777 12 1 "[ . 1 + . 2]" 1
121 1 6 THR MG 1 9 LEU H . . 4.450 4.427 4.160 4.533 0.083 9 0 "[ . 1 . 2]" 1
122 1 6 THR MG 1 9 LEU QD . . 4.490 4.029 3.857 4.188 . 0 0 "[ . 1 . 2]" 1
123 1 7 ASP H 1 7 ASP QB . . 3.280 2.377 2.077 2.795 . 0 0 "[ . 1 . 2]" 1
124 1 7 ASP H 1 8 GLU H . . 3.420 2.723 2.323 2.906 . 0 0 "[ . 1 . 2]" 1
125 1 7 ASP H 1 8 GLU HA . . 5.330 5.332 5.036 5.409 0.079 19 0 "[ . 1 . 2]" 1
126 1 7 ASP H 1 9 LEU H . . 4.830 4.361 3.976 4.534 . 0 0 "[ . 1 . 2]" 1
127 1 7 ASP H 1 112 LEU QD . . 5.330 5.276 5.223 5.334 0.004 1 0 "[ . 1 . 2]" 1
128 1 7 ASP HA 1 10 LEU H . . 4.140 3.282 2.978 3.582 . 0 0 "[ . 1 . 2]" 1
129 1 7 ASP HA 1 10 LEU HB2 . . 3.980 2.661 2.189 4.739 0.759 10 1 "[ . + . 2]" 1
130 1 7 ASP HA 1 10 LEU HB3 . . 4.670 4.063 3.294 4.710 0.040 8 0 "[ . 1 . 2]" 1
131 1 7 ASP HA 1 10 LEU HG . . 4.910 3.298 2.199 4.065 . 0 0 "[ . 1 . 2]" 1
132 1 7 ASP HA 1 11 TRP H . . 4.820 4.177 3.818 4.861 0.041 8 0 "[ . 1 . 2]" 1
133 1 7 ASP HA 1 87 LEU QD . . 4.050 2.664 2.168 3.557 . 0 0 "[ . 1 . 2]" 1
134 1 7 ASP QB 1 8 GLU H . . 3.590 2.856 2.538 3.461 . 0 0 "[ . 1 . 2]" 1
135 1 7 ASP QB 1 8 GLU QB . . 4.610 4.353 3.903 4.507 . 0 0 "[ . 1 . 2]" 1
136 1 7 ASP QB 1 11 TRP HD1 . . 3.520 3.179 2.517 3.604 0.084 13 0 "[ . 1 . 2]" 1
137 1 7 ASP QB 1 11 TRP HE1 . . 4.900 3.901 3.194 4.409 . 0 0 "[ . 1 . 2]" 1
138 1 7 ASP QB 1 87 LEU QD . . 4.070 2.349 2.046 3.155 . 0 0 "[ . 1 . 2]" 1
139 1 8 GLU H 1 8 GLU QB . . 3.280 2.260 1.851 2.537 . 0 0 "[ . 1 . 2]" 1
140 1 8 GLU H 1 8 GLU HG2 . . 3.980 3.001 2.363 3.928 . 0 0 "[ . 1 . 2]" 1
141 1 8 GLU H 1 8 GLU HG3 . . 3.840 2.976 2.121 4.065 0.225 12 0 "[ . 1 . 2]" 1
142 1 8 GLU H 1 9 LEU H . . 3.430 2.710 2.510 2.908 . 0 0 "[ . 1 . 2]" 1
143 1 8 GLU H 1 9 LEU QB . . 4.890 4.283 4.031 4.557 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLU H 1 10 LEU H . . 4.710 4.006 3.704 4.478 . 0 0 "[ . 1 . 2]" 1
145 1 8 GLU H 1 11 TRP HD1 . . 4.880 4.660 4.311 4.944 0.064 3 0 "[ . 1 . 2]" 1
146 1 8 GLU HA 1 8 GLU HG2 . . 3.570 3.157 2.227 4.175 0.605 17 5 "[ * . * 1 . +* -]" 1
147 1 8 GLU HA 1 8 GLU HG3 . . 4.090 3.502 2.484 3.804 . 0 0 "[ . 1 . 2]" 1
148 1 8 GLU HA 1 11 TRP H . . 3.890 3.498 3.065 3.961 0.071 10 0 "[ . 1 . 2]" 1
149 1 8 GLU HA 1 11 TRP HB2 . . 3.690 2.800 2.367 3.111 . 0 0 "[ . 1 . 2]" 1
150 1 8 GLU HA 1 11 TRP HB3 . . 4.520 4.374 4.012 4.593 0.073 13 0 "[ . 1 . 2]" 1
151 1 8 GLU HA 1 11 TRP HD1 . . 3.880 3.098 2.478 3.759 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLU QB 1 9 LEU H . . 3.900 2.953 2.397 3.601 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLU HG3 1 9 LEU H . . 4.830 3.681 1.978 5.136 0.306 4 0 "[ . 1 . 2]" 1
154 1 9 LEU H 1 9 LEU QB . . 3.300 2.023 1.927 2.091 . 0 0 "[ . 1 . 2]" 1
155 1 9 LEU H 1 9 LEU QD . . 3.970 3.550 2.591 3.678 . 0 0 "[ . 1 . 2]" 1
156 1 9 LEU H 1 9 LEU HG . . 3.910 3.814 3.205 4.007 0.097 10 0 "[ . 1 . 2]" 1
157 1 9 LEU H 1 10 LEU H . . 3.560 2.517 2.304 2.843 . 0 0 "[ . 1 . 2]" 1
158 1 9 LEU H 1 11 TRP H . . 4.650 4.128 3.920 4.356 . 0 0 "[ . 1 . 2]" 1
159 1 9 LEU H 1 12 ALA MB . . 5.500 5.066 4.605 5.525 0.025 13 0 "[ . 1 . 2]" 1
160 1 9 LEU HA 1 9 LEU QD . . 2.880 2.251 1.839 2.642 . 0 0 "[ . 1 . 2]" 1
161 1 9 LEU HA 1 9 LEU HG . . 3.140 2.807 2.169 3.252 0.112 1 0 "[ . 1 . 2]" 1
162 1 9 LEU HA 1 12 ALA H . . 3.880 3.479 3.152 3.715 . 0 0 "[ . 1 . 2]" 1
163 1 9 LEU HA 1 12 ALA MB . . 3.190 2.915 2.471 3.290 0.100 8 0 "[ . 1 . 2]" 1
164 1 9 LEU QB 1 10 LEU H . . 3.780 2.838 2.510 3.230 . 0 0 "[ . 1 . 2]" 1
165 1 9 LEU QD 1 10 LEU H . . 4.780 4.038 3.723 4.374 . 0 0 "[ . 1 . 2]" 1
166 1 9 LEU QD 1 12 ALA H . . 5.300 4.342 3.719 4.844 . 0 0 "[ . 1 . 2]" 1
167 1 9 LEU QD 1 12 ALA MB . . 4.010 2.866 2.315 3.278 . 0 0 "[ . 1 . 2]" 1
168 1 9 LEU QD 1 13 ILE H . . 5.200 4.844 4.271 5.298 0.098 5 0 "[ . 1 . 2]" 1
169 1 9 LEU QD 1 13 ILE MD . . 3.360 3.417 2.858 3.513 0.153 10 0 "[ . 1 . 2]" 1
170 1 10 LEU H 1 10 LEU HG . . 3.360 2.673 2.281 3.465 0.105 8 0 "[ . 1 . 2]" 1
171 1 10 LEU H 1 11 TRP H . . 3.510 2.621 2.349 2.959 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU H 1 12 ALA H . . 5.120 4.116 3.700 4.505 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU H 1 13 ILE MD . . 4.480 4.315 4.055 4.551 0.071 5 0 "[ . 1 . 2]" 1
174 1 10 LEU HA 1 11 TRP HA . . 4.860 4.804 4.658 4.865 0.005 10 0 "[ . 1 . 2]" 1
175 1 10 LEU HA 1 12 ALA H . . 5.340 4.161 3.735 4.577 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU HA 1 13 ILE H . . 4.240 3.636 3.317 3.960 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU HA 1 13 ILE MD . . 3.460 2.099 1.901 2.819 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU HA 1 13 ILE QG . . 5.380 3.924 2.240 4.498 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU HB2 1 11 TRP H . . 3.710 2.820 2.503 4.427 0.717 10 1 "[ . + . 2]" 1
180 1 10 LEU HB2 1 87 LEU QD . . 5.500 2.668 2.134 4.671 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU HB3 1 11 TRP H . . 4.640 3.646 3.351 4.034 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU HB3 1 13 ILE MD . . 4.580 3.839 3.117 4.667 0.087 5 0 "[ . 1 . 2]" 1
183 1 10 LEU HB3 1 87 LEU QD . . 5.240 2.710 2.136 4.464 . 0 0 "[ . 1 . 2]" 1
184 1 11 TRP H 1 11 TRP HB2 . . 3.330 2.245 2.136 2.361 . 0 0 "[ . 1 . 2]" 1
185 1 11 TRP H 1 11 TRP HB3 . . 4.000 3.519 3.422 3.583 . 0 0 "[ . 1 . 2]" 1
186 1 11 TRP H 1 11 TRP HD1 . . 3.790 3.303 2.946 3.570 . 0 0 "[ . 1 . 2]" 1
187 1 11 TRP H 1 11 TRP HE1 . . 5.500 5.407 4.987 5.576 0.076 10 0 "[ . 1 . 2]" 1
188 1 11 TRP H 1 12 ALA H . . 3.370 2.804 2.505 2.988 . 0 0 "[ . 1 . 2]" 1
189 1 11 TRP H 1 12 ALA MB . . 4.600 4.414 4.108 4.662 0.062 4 0 "[ . 1 . 2]" 1
190 1 11 TRP H 1 13 ILE MD . . 4.720 4.628 4.348 4.829 0.109 2 0 "[ . 1 . 2]" 1
191 1 11 TRP H 1 14 LEU QD . . 5.500 4.124 3.764 4.777 . 0 0 "[ . 1 . 2]" 1
192 1 11 TRP H 1 87 LEU QD . . 4.790 3.479 2.771 4.199 . 0 0 "[ . 1 . 2]" 1
193 1 11 TRP HA 1 11 TRP HD1 . . 4.370 4.160 3.901 4.330 . 0 0 "[ . 1 . 2]" 1
194 1 11 TRP HA 1 11 TRP HE3 . . 3.400 2.720 2.488 2.950 . 0 0 "[ . 1 . 2]" 1
195 1 11 TRP HA 1 12 ALA MB . . 5.020 4.999 4.949 5.061 0.041 4 0 "[ . 1 . 2]" 1
196 1 11 TRP HA 1 14 LEU H . . 4.170 3.238 2.954 3.491 . 0 0 "[ . 1 . 2]" 1
197 1 11 TRP HA 1 14 LEU HB2 . . 3.920 2.741 2.195 3.515 . 0 0 "[ . 1 . 2]" 1
198 1 11 TRP HA 1 14 LEU HB3 . . 5.130 4.362 3.770 5.181 0.051 18 0 "[ . 1 . 2]" 1
199 1 11 TRP HA 1 14 LEU QD . . 3.740 2.282 1.974 2.740 . 0 0 "[ . 1 . 2]" 1
200 1 11 TRP HA 1 14 LEU HG . . 4.980 4.042 2.672 4.993 0.013 8 0 "[ . 1 . 2]" 1
201 1 11 TRP HA 1 15 LYS H . . 4.370 4.024 3.677 4.436 0.066 11 0 "[ . 1 . 2]" 1
202 1 11 TRP HA 1 15 LYS QE . . 5.150 4.758 4.097 5.215 0.065 5 0 "[ . 1 . 2]" 1
203 1 11 TRP HA 1 15 LYS HG2 . . 4.660 3.998 3.534 4.339 . 0 0 "[ . 1 . 2]" 1
204 1 11 TRP HA 1 87 LEU QD . . 4.140 3.411 2.477 4.050 . 0 0 "[ . 1 . 2]" 1
205 1 11 TRP HB2 1 11 TRP HD1 . . 3.640 2.605 2.518 2.685 . 0 0 "[ . 1 . 2]" 1
206 1 11 TRP HB2 1 12 ALA H . . 3.800 3.144 2.838 3.404 . 0 0 "[ . 1 . 2]" 1
207 1 11 TRP HB3 1 11 TRP HE3 . . 3.930 2.862 2.698 2.961 . 0 0 "[ . 1 . 2]" 1
208 1 11 TRP HB3 1 12 ALA H . . 4.890 3.539 3.167 4.013 . 0 0 "[ . 1 . 2]" 1
209 1 11 TRP HD1 1 87 LEU QD . . 4.000 2.904 2.509 3.492 . 0 0 "[ . 1 . 2]" 1
210 1 11 TRP HE1 1 87 LEU HA . . 5.140 2.880 2.015 3.714 . 0 0 "[ . 1 . 2]" 1
211 1 11 TRP HE1 1 87 LEU HB2 . . 4.870 4.136 3.015 4.780 . 0 0 "[ . 1 . 2]" 1
212 1 11 TRP HE1 1 87 LEU HB3 . . 4.420 2.626 2.033 3.122 . 0 0 "[ . 1 . 2]" 1
213 1 11 TRP HE1 1 87 LEU QD . . 3.920 2.732 2.282 3.350 . 0 0 "[ . 1 . 2]" 1
214 1 11 TRP HE1 1 87 LEU HG . . 4.910 4.280 2.287 4.992 0.082 19 0 "[ . 1 . 2]" 1
215 1 11 TRP HE3 1 14 LEU HB2 . . 3.830 2.530 2.211 2.874 . 0 0 "[ . 1 . 2]" 1
216 1 11 TRP HE3 1 14 LEU HB3 . . 4.180 3.500 2.877 4.239 0.059 5 0 "[ . 1 . 2]" 1
217 1 11 TRP HE3 1 14 LEU QD . . 4.090 3.011 2.703 3.366 . 0 0 "[ . 1 . 2]" 1
218 1 11 TRP HE3 1 15 LYS H . . 4.850 3.676 3.256 4.302 . 0 0 "[ . 1 . 2]" 1
219 1 11 TRP HE3 1 15 LYS QD . . 3.610 3.285 2.844 3.677 0.067 15 0 "[ . 1 . 2]" 1
220 1 11 TRP HE3 1 15 LYS QE . . 4.130 2.490 2.149 3.130 . 0 0 "[ . 1 . 2]" 1
221 1 11 TRP HE3 1 15 LYS HG2 . . 3.550 2.618 2.332 3.000 . 0 0 "[ . 1 . 2]" 1
222 1 11 TRP HE3 1 15 LYS HG3 . . 4.320 4.030 3.627 4.373 0.053 9 0 "[ . 1 . 2]" 1
223 1 11 TRP HE3 1 87 LEU QD . . 5.130 4.487 3.709 4.987 . 0 0 "[ . 1 . 2]" 1
224 1 11 TRP HH2 1 14 LEU QD . . 4.950 4.058 3.393 4.719 . 0 0 "[ . 1 . 2]" 1
225 1 11 TRP HH2 1 87 LEU HB3 . . 4.900 4.470 3.923 5.488 0.588 2 1 "[ + . 1 . 2]" 1
226 1 11 TRP HH2 1 89 PHE H . . 4.760 4.079 3.425 4.601 . 0 0 "[ . 1 . 2]" 1
227 1 11 TRP HH2 1 89 PHE HA . . 3.740 2.839 2.209 3.309 . 0 0 "[ . 1 . 2]" 1
228 1 11 TRP HH2 1 89 PHE QB . . 4.110 2.802 2.423 3.451 . 0 0 "[ . 1 . 2]" 1
229 1 11 TRP HZ2 1 87 LEU HB3 . . 3.710 2.680 2.455 3.483 . 0 0 "[ . 1 . 2]" 1
230 1 11 TRP HZ2 1 87 LEU QD . . 4.450 3.728 3.534 4.181 . 0 0 "[ . 1 . 2]" 1
231 1 11 TRP HZ2 1 87 LEU HG . . 5.450 5.177 4.228 5.527 0.077 11 0 "[ . 1 . 2]" 1
232 1 11 TRP HZ2 1 89 PHE HA . . 4.680 4.372 3.840 4.752 0.072 3 0 "[ . 1 . 2]" 1
233 1 11 TRP HZ2 1 89 PHE QB . . 4.820 3.743 3.203 4.381 . 0 0 "[ . 1 . 2]" 1
234 1 11 TRP HZ3 1 14 LEU QD . . 4.250 3.323 2.569 3.960 . 0 0 "[ . 1 . 2]" 1
235 1 11 TRP HZ3 1 15 LYS QD . . 4.810 3.589 2.967 4.311 . 0 0 "[ . 1 . 2]" 1
236 1 11 TRP HZ3 1 89 PHE HA . . 4.830 4.459 3.762 4.910 0.080 6 0 "[ . 1 . 2]" 1
237 1 12 ALA H 1 12 ALA MB . . 2.910 2.205 2.153 2.246 . 0 0 "[ . 1 . 2]" 1
238 1 12 ALA H 1 13 ILE MD . . 4.980 4.001 3.267 5.041 0.061 15 0 "[ . 1 . 2]" 1
239 1 12 ALA HA 1 15 LYS H . . 4.270 3.602 3.268 3.842 . 0 0 "[ . 1 . 2]" 1
240 1 12 ALA HA 1 15 LYS QB . . 4.410 2.932 2.272 3.346 . 0 0 "[ . 1 . 2]" 1
241 1 12 ALA HA 1 17 GLU H . . 4.190 3.720 3.225 4.100 . 0 0 "[ . 1 . 2]" 1
242 1 12 ALA HA 1 17 GLU QB . . 3.490 2.600 2.155 3.307 . 0 0 "[ . 1 . 2]" 1
243 1 12 ALA HA 1 18 LEU H . . 4.930 4.260 3.586 4.996 0.066 12 0 "[ . 1 . 2]" 1
244 1 12 ALA MB 1 13 ILE H . . 3.550 2.800 2.417 3.073 . 0 0 "[ . 1 . 2]" 1
245 1 12 ALA MB 1 13 ILE HA . . 5.120 3.982 3.775 4.183 . 0 0 "[ . 1 . 2]" 1
246 1 12 ALA MB 1 17 GLU H . . 4.090 3.825 3.573 4.121 0.031 3 0 "[ . 1 . 2]" 1
247 1 12 ALA MB 1 17 GLU QB . . 3.320 2.400 2.063 2.861 . 0 0 "[ . 1 . 2]" 1
248 1 12 ALA MB 1 17 GLU QG . . 4.120 2.380 1.918 3.401 . 0 0 "[ . 1 . 2]" 1
249 1 12 ALA MB 1 18 LEU H . . 3.890 3.155 2.475 3.877 . 0 0 "[ . 1 . 2]" 1
250 1 12 ALA MB 1 18 LEU QD . . 4.010 2.135 2.015 2.505 . 0 0 "[ . 1 . 2]" 1
251 1 13 ILE H 1 13 ILE HB . . 3.530 2.511 2.358 2.905 . 0 0 "[ . 1 . 2]" 1
252 1 13 ILE H 1 13 ILE MD . . 3.640 2.385 1.807 3.182 . 0 0 "[ . 1 . 2]" 1
253 1 13 ILE H 1 13 ILE QG . . 4.020 2.725 1.932 3.384 . 0 0 "[ . 1 . 2]" 1
254 1 13 ILE H 1 13 ILE MG . . 3.680 3.765 3.728 3.786 0.106 20 0 "[ . 1 . 2]" 1
255 1 13 ILE H 1 18 LEU QD . . 4.060 3.252 3.004 3.676 . 0 0 "[ . 1 . 2]" 1
256 1 13 ILE HA 1 13 ILE MD . . 3.690 3.509 2.387 3.810 0.120 15 0 "[ . 1 . 2]" 1
257 1 13 ILE HA 1 13 ILE MG . . 3.330 2.361 2.195 2.529 . 0 0 "[ . 1 . 2]" 1
258 1 13 ILE HA 1 14 LEU HA . . 4.910 4.809 4.681 4.959 0.049 13 0 "[ . 1 . 2]" 1
259 1 13 ILE HA 1 14 LEU QD . . 5.410 4.645 4.126 5.253 . 0 0 "[ . 1 . 2]" 1
260 1 13 ILE HA 1 17 GLU H . . 4.930 4.048 3.634 4.793 . 0 0 "[ . 1 . 2]" 1
261 1 13 ILE HA 1 18 LEU H . . 4.330 3.194 2.828 3.742 . 0 0 "[ . 1 . 2]" 1
262 1 13 ILE HA 1 18 LEU HB2 . . 4.130 2.339 2.146 2.628 . 0 0 "[ . 1 . 2]" 1
263 1 13 ILE HA 1 18 LEU HB3 . . 4.060 3.811 3.502 4.140 0.080 15 0 "[ . 1 . 2]" 1
264 1 13 ILE HA 1 18 LEU QD . . 4.870 3.065 2.716 3.470 . 0 0 "[ . 1 . 2]" 1
265 1 13 ILE HA 1 18 LEU HG . . 5.330 4.294 3.250 5.088 . 0 0 "[ . 1 . 2]" 1
266 1 13 ILE HB 1 13 ILE MD . . 3.290 2.300 2.121 3.204 . 0 0 "[ . 1 . 2]" 1
267 1 13 ILE HB 1 14 LEU H . . 3.800 2.657 2.343 3.434 . 0 0 "[ . 1 . 2]" 1
268 1 13 ILE HB 1 14 LEU HA . . 4.420 4.305 3.941 4.500 0.080 6 0 "[ . 1 . 2]" 1
269 1 13 ILE HB 1 14 LEU QD . . 5.230 2.951 2.299 3.994 . 0 0 "[ . 1 . 2]" 1
270 1 13 ILE MD 1 23 ALA MB . . 4.060 3.817 3.342 4.204 0.144 15 0 "[ . 1 . 2]" 1
271 1 13 ILE QG 1 23 ALA MB . . 5.250 2.786 2.132 4.499 . 0 0 "[ . 1 . 2]" 1
272 1 13 ILE QG 1 26 LEU QD . . 5.500 3.171 2.407 4.025 . 0 0 "[ . 1 . 2]" 1
273 1 13 ILE MG 1 14 LEU H . . 4.590 3.497 3.186 4.218 . 0 0 "[ . 1 . 2]" 1
274 1 13 ILE MG 1 14 LEU QD . . 4.550 2.932 2.188 4.041 . 0 0 "[ . 1 . 2]" 1
275 1 13 ILE MG 1 18 LEU H . . 5.500 4.866 4.273 5.487 . 0 0 "[ . 1 . 2]" 1
276 1 13 ILE MG 1 18 LEU HB2 . . 4.610 3.449 2.855 3.995 . 0 0 "[ . 1 . 2]" 1
277 1 13 ILE MG 1 18 LEU HB3 . . 4.220 4.017 3.213 4.321 0.101 12 0 "[ . 1 . 2]" 1
278 1 13 ILE MG 1 23 ALA MB . . 3.840 2.615 2.129 3.371 . 0 0 "[ . 1 . 2]" 1
279 1 13 ILE MG 1 104 ARG HA . . 3.870 3.699 3.066 3.991 0.121 9 0 "[ . 1 . 2]" 1
280 1 13 ILE MG 1 104 ARG HB3 . . 3.470 2.542 1.978 3.956 0.486 11 0 "[ . 1 . 2]" 1
281 1 13 ILE MG 1 104 ARG QD . . 5.210 2.879 1.928 4.053 . 0 0 "[ . 1 . 2]" 1
282 1 13 ILE MG 1 105 ALA H . . 5.480 4.563 3.501 5.361 . 0 0 "[ . 1 . 2]" 1
283 1 14 LEU H 1 14 LEU HB2 . . 4.150 2.397 2.099 2.601 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU H 1 14 LEU QD . . 3.780 2.452 1.850 3.362 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU H 1 14 LEU HG . . 3.710 3.232 2.096 3.807 0.097 2 0 "[ . 1 . 2]" 1
286 1 14 LEU H 1 15 LYS H . . 3.750 2.724 2.270 3.011 . 0 0 "[ . 1 . 2]" 1
287 1 14 LEU HA 1 14 LEU QD . . 3.020 2.142 1.996 2.294 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU HA 1 14 LEU HG . . 4.240 3.136 2.410 3.708 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU HB2 1 15 LYS H . . 4.720 2.675 2.423 2.979 . 0 0 "[ . 1 . 2]" 1
290 1 14 LEU HB3 1 14 LEU QD . . 3.140 2.342 2.131 2.628 . 0 0 "[ . 1 . 2]" 1
291 1 14 LEU HB3 1 15 LYS H . . 4.300 3.578 3.073 3.846 . 0 0 "[ . 1 . 2]" 1
292 1 14 LEU QD 1 15 LYS H . . 5.340 3.924 3.576 4.209 . 0 0 "[ . 1 . 2]" 1
293 1 14 LEU QD 1 83 LEU QD . . 3.660 2.052 1.774 2.953 . 0 0 "[ . 1 . 2]" 1
294 1 14 LEU QD 1 87 LEU QD . . 3.760 2.341 1.996 2.817 . 0 0 "[ . 1 . 2]" 1
295 1 14 LEU QD 1 89 PHE H . . 5.180 4.544 3.898 5.074 . 0 0 "[ . 1 . 2]" 1
296 1 14 LEU QD 1 89 PHE HA . . 5.300 4.502 3.823 5.043 . 0 0 "[ . 1 . 2]" 1
297 1 14 LEU QD 1 89 PHE QB . . 3.950 2.582 2.064 3.290 . 0 0 "[ . 1 . 2]" 1
298 1 14 LEU QD 1 89 PHE QD . . 4.090 2.798 2.222 3.377 . 0 0 "[ . 1 . 2]" 1
299 1 14 LEU QD 1 89 PHE QE . . 3.960 3.104 2.604 3.810 . 0 0 "[ . 1 . 2]" 1
300 1 14 LEU QD 1 89 PHE HZ . . 4.970 3.703 3.000 4.605 . 0 0 "[ . 1 . 2]" 1
301 1 14 LEU QD 1 92 TYR QE . . 4.020 3.601 2.886 4.082 0.062 15 0 "[ . 1 . 2]" 1
302 1 14 LEU QD 1 105 ALA H . . 4.590 4.399 3.941 4.598 0.008 11 0 "[ . 1 . 2]" 1
303 1 14 LEU QD 1 105 ALA HA . . 3.760 2.895 2.305 3.233 . 0 0 "[ . 1 . 2]" 1
304 1 14 LEU QD 1 105 ALA MB . . 3.690 3.121 2.068 3.639 . 0 0 "[ . 1 . 2]" 1
305 1 14 LEU QD 1 108 THR H . . 5.370 4.504 4.073 5.085 . 0 0 "[ . 1 . 2]" 1
306 1 14 LEU QD 1 108 THR HB . . 3.680 2.921 2.530 3.291 . 0 0 "[ . 1 . 2]" 1
307 1 14 LEU QD 1 108 THR MG . . 3.650 2.106 1.847 2.799 . 0 0 "[ . 1 . 2]" 1
308 1 14 LEU HG 1 87 LEU QD . . 4.970 4.217 3.539 4.907 . 0 0 "[ . 1 . 2]" 1
309 1 14 LEU HG 1 108 THR MG . . 4.260 3.554 2.323 4.355 0.095 18 0 "[ . 1 . 2]" 1
310 1 15 LYS H 1 15 LYS QB . . 3.760 2.434 2.278 2.550 . 0 0 "[ . 1 . 2]" 1
311 1 15 LYS H 1 15 LYS QD . . 3.400 3.411 3.080 3.496 0.096 7 0 "[ . 1 . 2]" 1
312 1 15 LYS H 1 15 LYS HG2 . . 3.750 2.347 2.047 2.614 . 0 0 "[ . 1 . 2]" 1
313 1 15 LYS H 1 15 LYS HG3 . . 4.260 3.701 3.432 3.968 . 0 0 "[ . 1 . 2]" 1
314 1 15 LYS H 1 16 ASP H . . 3.540 3.097 2.694 3.572 0.032 11 0 "[ . 1 . 2]" 1
315 1 15 LYS H 1 17 GLU H . . 4.610 4.366 3.955 4.680 0.070 13 0 "[ . 1 . 2]" 1
316 1 15 LYS HA 1 15 LYS QD . . 3.290 2.188 2.090 2.370 . 0 0 "[ . 1 . 2]" 1
317 1 15 LYS HA 1 15 LYS QE . . 4.340 4.139 3.931 4.307 . 0 0 "[ . 1 . 2]" 1
318 1 15 LYS HA 1 15 LYS HG2 . . 3.720 3.197 3.043 3.405 . 0 0 "[ . 1 . 2]" 1
319 1 15 LYS HA 1 15 LYS HG3 . . 3.750 3.784 3.723 3.822 0.072 11 0 "[ . 1 . 2]" 1
320 1 15 LYS QB 1 15 LYS QD . . 3.140 2.393 2.229 2.539 . 0 0 "[ . 1 . 2]" 1
321 1 15 LYS QB 1 15 LYS QE . . 4.550 3.760 3.522 3.963 . 0 0 "[ . 1 . 2]" 1
322 1 16 ASP H 1 16 ASP QB . . 3.650 3.043 2.788 3.364 . 0 0 "[ . 1 . 2]" 1
323 1 16 ASP H 1 17 GLU H . . 3.520 2.375 1.705 2.878 . 0 0 "[ . 1 . 2]" 1
324 1 16 ASP H 1 18 LEU H . . 4.430 4.239 3.822 4.502 0.072 2 0 "[ . 1 . 2]" 1
325 1 16 ASP QB 1 17 GLU H . . 4.390 3.937 3.517 4.106 . 0 0 "[ . 1 . 2]" 1
326 1 16 ASP QB 1 17 GLU HA . . 4.900 4.364 3.660 4.763 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLU H 1 17 GLU QB . . 3.580 2.152 1.898 2.644 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLU H 1 17 GLU QG . . 3.510 3.543 2.126 3.627 0.117 1 0 "[ . 1 . 2]" 1
329 1 17 GLU H 1 18 LEU H . . 3.090 2.249 1.963 2.591 . 0 0 "[ . 1 . 2]" 1
330 1 17 GLU H 1 18 LEU HB2 . . 4.440 4.217 3.795 4.510 0.070 15 0 "[ . 1 . 2]" 1
331 1 17 GLU HA 1 17 GLU QG . . 3.190 2.916 2.234 3.271 0.081 15 0 "[ . 1 . 2]" 1
332 1 17 GLU QB 1 18 LEU H . . 3.870 2.649 2.010 3.097 . 0 0 "[ . 1 . 2]" 1
333 1 17 GLU QG 1 18 LEU H . . 4.350 3.001 2.428 3.864 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLU QG 1 18 LEU QD . . 3.450 3.154 2.326 3.542 0.092 11 0 "[ . 1 . 2]" 1
335 1 18 LEU H 1 18 LEU HB2 . . 3.340 2.288 2.166 2.441 . 0 0 "[ . 1 . 2]" 1
336 1 18 LEU H 1 18 LEU HB3 . . 3.630 3.561 3.428 3.673 0.043 2 0 "[ . 1 . 2]" 1
337 1 18 LEU H 1 18 LEU QD . . 4.380 2.801 2.263 3.297 . 0 0 "[ . 1 . 2]" 1
338 1 18 LEU H 1 18 LEU HG . . 4.720 3.780 2.993 4.295 . 0 0 "[ . 1 . 2]" 1
339 1 18 LEU H 1 19 SER H . . 4.570 4.497 4.242 4.620 0.050 18 0 "[ . 1 . 2]" 1
340 1 18 LEU H 1 23 ALA MB . . 5.370 4.936 4.376 5.300 . 0 0 "[ . 1 . 2]" 1
341 1 18 LEU HA 1 18 LEU QD . . 3.050 2.337 2.005 2.867 . 0 0 "[ . 1 . 2]" 1
342 1 18 LEU HA 1 19 SER H . . 2.990 2.283 2.047 2.889 . 0 0 "[ . 1 . 2]" 1
343 1 18 LEU HB2 1 19 SER H . . 4.430 3.673 3.123 3.958 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU HB2 1 19 SER HA . . 5.100 5.160 5.029 5.193 0.093 3 0 "[ . 1 . 2]" 1
345 1 18 LEU HB2 1 23 ALA H . . 4.960 4.844 4.381 5.029 0.069 5 0 "[ . 1 . 2]" 1
346 1 18 LEU HB3 1 18 LEU QD . . 2.800 2.214 2.100 2.398 . 0 0 "[ . 1 . 2]" 1
347 1 18 LEU HB3 1 19 SER H . . 4.180 2.345 1.778 2.734 . 0 0 "[ . 1 . 2]" 1
348 1 18 LEU HB3 1 19 SER HA . . 5.140 4.294 4.123 4.501 . 0 0 "[ . 1 . 2]" 1
349 1 18 LEU HB3 1 23 ALA HA . . 4.210 3.041 2.370 3.967 . 0 0 "[ . 1 . 2]" 1
350 1 18 LEU HB3 1 23 ALA MB . . 3.760 2.178 2.007 2.334 . 0 0 "[ . 1 . 2]" 1
351 1 18 LEU HB3 1 24 ASN H . . 5.450 5.330 4.905 5.538 0.088 8 0 "[ . 1 . 2]" 1
352 1 18 LEU QD 1 19 SER H . . 3.540 2.462 2.003 3.031 . 0 0 "[ . 1 . 2]" 1
353 1 18 LEU QD 1 22 GLU H . . 5.000 4.161 3.736 4.461 . 0 0 "[ . 1 . 2]" 1
354 1 18 LEU QD 1 22 GLU HB2 . . 4.990 2.415 2.073 3.160 . 0 0 "[ . 1 . 2]" 1
355 1 18 LEU QD 1 22 GLU HB3 . . 3.840 2.142 1.941 2.280 . 0 0 "[ . 1 . 2]" 1
356 1 18 LEU QD 1 23 ALA H . . 4.500 2.938 2.486 3.357 . 0 0 "[ . 1 . 2]" 1
357 1 18 LEU QD 1 23 ALA HA . . 3.680 2.225 1.883 2.628 . 0 0 "[ . 1 . 2]" 1
358 1 18 LEU QD 1 23 ALA MB . . 3.430 2.921 2.396 3.259 . 0 0 "[ . 1 . 2]" 1
359 1 18 LEU QD 1 24 ASN H . . 4.550 4.430 4.235 4.588 0.038 11 0 "[ . 1 . 2]" 1
360 1 18 LEU QD 1 25 ALA H . . 4.990 4.671 4.342 4.951 . 0 0 "[ . 1 . 2]" 1
361 1 18 LEU QD 1 26 LEU H . . 3.680 3.710 3.619 3.764 0.084 8 0 "[ . 1 . 2]" 1
362 1 18 LEU QD 1 26 LEU HG . . 2.780 2.528 2.248 2.824 0.044 4 0 "[ . 1 . 2]" 1
363 1 18 LEU HG 1 19 SER H . . 4.050 3.987 3.455 4.152 0.102 11 0 "[ . 1 . 2]" 1
364 1 18 LEU HG 1 23 ALA HA . . 4.190 3.448 2.377 4.293 0.103 19 0 "[ . 1 . 2]" 1
365 1 18 LEU HG 1 23 ALA MB . . 4.630 3.723 2.436 4.689 0.059 3 0 "[ . 1 . 2]" 1
366 1 19 SER H 1 19 SER QB . . 3.350 2.584 2.419 2.785 . 0 0 "[ . 1 . 2]" 1
367 1 19 SER H 1 20 ASP H . . 4.960 4.485 4.294 4.599 . 0 0 "[ . 1 . 2]" 1
368 1 19 SER H 1 22 GLU H . . 4.650 3.751 3.437 3.977 . 0 0 "[ . 1 . 2]" 1
369 1 19 SER H 1 22 GLU HB2 . . 4.990 1.984 1.677 2.697 . 0 0 "[ . 1 . 2]" 1
370 1 19 SER H 1 22 GLU HB3 . . 4.650 3.257 2.417 4.045 . 0 0 "[ . 1 . 2]" 1
371 1 19 SER H 1 23 ALA H . . 5.140 3.071 2.360 3.523 . 0 0 "[ . 1 . 2]" 1
372 1 19 SER HA 1 20 ASP H . . 3.170 2.703 2.446 2.969 . 0 0 "[ . 1 . 2]" 1
373 1 19 SER QB 1 20 ASP H . . 2.900 2.468 1.940 2.972 0.072 12 0 "[ . 1 . 2]" 1
374 1 19 SER QB 1 21 ALA H . . 3.830 3.478 2.972 3.889 0.059 13 0 "[ . 1 . 2]" 1
375 1 19 SER QB 1 21 ALA MB . . 4.800 3.710 2.930 4.268 . 0 0 "[ . 1 . 2]" 1
376 1 19 SER QB 1 22 GLU HG2 . . 4.430 3.383 2.186 4.206 . 0 0 "[ . 1 . 2]" 1
377 1 20 ASP H 1 21 ALA H . . 3.510 2.856 2.621 3.033 . 0 0 "[ . 1 . 2]" 1
378 1 20 ASP H 1 21 ALA MB . . 4.370 4.357 4.179 4.462 0.092 4 0 "[ . 1 . 2]" 1
379 1 20 ASP H 1 22 GLU H . . 4.950 3.792 3.441 4.286 . 0 0 "[ . 1 . 2]" 1
380 1 20 ASP H 1 23 ALA H . . 4.930 4.521 4.265 4.673 . 0 0 "[ . 1 . 2]" 1
381 1 20 ASP H 1 23 ALA MB . . 5.120 4.849 4.677 4.947 . 0 0 "[ . 1 . 2]" 1
382 1 20 ASP H 1 62 ILE MD . . 4.980 4.692 4.275 5.059 0.079 20 0 "[ . 1 . 2]" 1
383 1 20 ASP HA 1 23 ALA H . . 4.240 3.881 3.600 4.253 0.013 10 0 "[ . 1 . 2]" 1
384 1 20 ASP HA 1 23 ALA MB . . 3.710 3.306 2.869 3.811 0.101 13 0 "[ . 1 . 2]" 1
385 1 20 ASP HA 1 62 ILE MD . . 3.300 2.499 2.002 3.243 . 0 0 "[ . 1 . 2]" 1
386 1 20 ASP QB 1 21 ALA H . . 3.540 2.811 2.167 3.278 . 0 0 "[ . 1 . 2]" 1
387 1 20 ASP QB 1 21 ALA MB . . 5.400 4.031 3.107 4.443 . 0 0 "[ . 1 . 2]" 1
388 1 20 ASP QB 1 62 ILE HB . . 4.780 4.132 3.156 4.715 . 0 0 "[ . 1 . 2]" 1
389 1 20 ASP QB 1 62 ILE MD . . 3.550 2.373 1.949 3.202 . 0 0 "[ . 1 . 2]" 1
390 1 20 ASP QB 1 62 ILE MG . . 4.400 2.732 2.012 3.470 . 0 0 "[ . 1 . 2]" 1
391 1 21 ALA H 1 21 ALA MB . . 2.800 2.191 2.105 2.227 . 0 0 "[ . 1 . 2]" 1
392 1 21 ALA H 1 22 GLU H . . 3.600 2.810 2.664 2.990 . 0 0 "[ . 1 . 2]" 1
393 1 21 ALA H 1 24 ASN H . . 5.450 5.027 4.816 5.328 . 0 0 "[ . 1 . 2]" 1
394 1 21 ALA H 1 62 ILE MD . . 5.500 4.415 3.811 5.242 . 0 0 "[ . 1 . 2]" 1
395 1 21 ALA HA 1 24 ASN H . . 4.000 3.751 3.368 4.066 0.066 19 0 "[ . 1 . 2]" 1
396 1 21 ALA HA 1 24 ASN HB2 . . 3.890 2.833 2.367 3.588 . 0 0 "[ . 1 . 2]" 1
397 1 21 ALA HA 1 24 ASN HB3 . . 4.980 4.123 2.734 4.981 0.001 17 0 "[ . 1 . 2]" 1
398 1 21 ALA HA 1 24 ASN HD21 . . 5.050 3.012 2.205 4.070 . 0 0 "[ . 1 . 2]" 1
399 1 21 ALA HA 1 24 ASN QD . . 3.900 2.929 2.185 3.696 . 0 0 "[ . 1 . 2]" 1
400 1 21 ALA HA 1 24 ASN HD22 . . 5.500 4.249 2.869 5.166 . 0 0 "[ . 1 . 2]" 1
401 1 21 ALA HA 1 25 ALA H . . 4.870 4.377 3.864 4.937 0.067 20 0 "[ . 1 . 2]" 1
402 1 21 ALA MB 1 22 GLU H . . 3.240 2.680 2.371 3.359 0.119 19 0 "[ . 1 . 2]" 1
403 1 21 ALA MB 1 22 GLU HG2 . . 5.050 3.551 2.813 4.189 . 0 0 "[ . 1 . 2]" 1
404 1 21 ALA MB 1 22 GLU HG3 . . 4.960 3.792 2.942 4.873 . 0 0 "[ . 1 . 2]" 1
405 1 21 ALA MB 1 24 ASN QD . . 4.790 4.154 3.455 4.708 . 0 0 "[ . 1 . 2]" 1
406 1 22 GLU H 1 22 GLU HB2 . . 3.340 2.469 2.084 2.847 . 0 0 "[ . 1 . 2]" 1
407 1 22 GLU H 1 22 GLU HG2 . . 3.460 2.978 2.071 3.938 0.478 19 0 "[ . 1 . 2]" 1
408 1 22 GLU H 1 22 GLU HG3 . . 3.920 2.865 2.105 3.654 . 0 0 "[ . 1 . 2]" 1
409 1 22 GLU H 1 23 ALA H . . 3.250 2.628 2.097 2.767 . 0 0 "[ . 1 . 2]" 1
410 1 22 GLU H 1 23 ALA HA . . 5.270 5.244 4.733 5.342 0.072 10 0 "[ . 1 . 2]" 1
411 1 22 GLU H 1 23 ALA MB . . 4.440 4.353 3.753 4.513 0.073 12 0 "[ . 1 . 2]" 1
412 1 22 GLU H 1 25 ALA H . . 5.210 4.643 4.294 5.051 . 0 0 "[ . 1 . 2]" 1
413 1 22 GLU HA 1 22 GLU HG2 . . 3.620 2.556 2.261 3.279 . 0 0 "[ . 1 . 2]" 1
414 1 22 GLU HA 1 22 GLU HG3 . . 3.720 3.451 2.990 3.806 0.086 1 0 "[ . 1 . 2]" 1
415 1 22 GLU HA 1 24 ASN H . . 4.940 4.178 3.987 4.447 . 0 0 "[ . 1 . 2]" 1
416 1 22 GLU HA 1 25 ALA H . . 4.040 3.222 3.040 3.518 . 0 0 "[ . 1 . 2]" 1
417 1 22 GLU HA 1 25 ALA MB . . 3.060 2.567 2.099 3.031 . 0 0 "[ . 1 . 2]" 1
418 1 22 GLU HA 1 26 LEU H . . 5.130 4.496 3.796 5.084 . 0 0 "[ . 1 . 2]" 1
419 1 22 GLU HB3 1 23 ALA H . . 4.910 3.710 3.145 3.950 . 0 0 "[ . 1 . 2]" 1
420 1 22 GLU HG2 1 23 ALA H . . 4.970 4.784 4.130 5.049 0.079 16 0 "[ . 1 . 2]" 1
421 1 22 GLU HG3 1 23 ALA H . . 4.770 4.616 4.221 4.958 0.188 7 0 "[ . 1 . 2]" 1
422 1 23 ALA H 1 23 ALA MB . . 3.020 2.277 2.128 2.360 . 0 0 "[ . 1 . 2]" 1
423 1 23 ALA H 1 24 ASN H . . 3.400 2.565 2.397 2.689 . 0 0 "[ . 1 . 2]" 1
424 1 23 ALA H 1 25 ALA H . . 4.610 4.171 3.979 4.410 . 0 0 "[ . 1 . 2]" 1
425 1 23 ALA HA 1 26 LEU H . . 3.910 3.653 2.856 3.986 0.076 3 0 "[ . 1 . 2]" 1
426 1 23 ALA HA 1 26 LEU HB2 . . 4.320 3.617 2.787 4.370 0.050 7 0 "[ . 1 . 2]" 1
427 1 23 ALA HA 1 26 LEU QD . . 3.570 3.139 2.547 3.601 0.031 19 0 "[ . 1 . 2]" 1
428 1 23 ALA HA 1 26 LEU HG . . 4.470 3.522 2.679 4.156 . 0 0 "[ . 1 . 2]" 1
429 1 23 ALA MB 1 24 ASN H . . 3.340 2.671 2.443 3.003 . 0 0 "[ . 1 . 2]" 1
430 1 23 ALA MB 1 25 ALA H . . 5.100 4.636 4.521 4.765 . 0 0 "[ . 1 . 2]" 1
431 1 23 ALA MB 1 26 LEU H . . 5.380 4.820 4.346 4.989 . 0 0 "[ . 1 . 2]" 1
432 1 23 ALA MB 1 107 MET ME . . 3.180 2.976 2.498 3.297 0.117 7 0 "[ . 1 . 2]" 1
433 1 24 ASN H 1 24 ASN HB2 . . 3.390 2.315 2.026 2.706 . 0 0 "[ . 1 . 2]" 1
434 1 24 ASN H 1 24 ASN HB3 . . 3.900 3.478 2.976 3.685 . 0 0 "[ . 1 . 2]" 1
435 1 24 ASN H 1 24 ASN HD21 . . 4.990 4.295 3.620 4.740 . 0 0 "[ . 1 . 2]" 1
436 1 24 ASN H 1 25 ALA H . . 3.460 2.640 2.548 2.745 . 0 0 "[ . 1 . 2]" 1
437 1 24 ASN H 1 25 ALA MB . . 4.200 4.284 4.261 4.304 0.104 8 0 "[ . 1 . 2]" 1
438 1 24 ASN H 1 26 LEU H . . 4.860 4.483 4.190 4.628 . 0 0 "[ . 1 . 2]" 1
439 1 24 ASN H 1 27 VAL H . . 5.500 5.247 5.042 5.484 . 0 0 "[ . 1 . 2]" 1
440 1 24 ASN H 1 27 VAL MG2 . . 5.140 5.055 4.765 5.216 0.076 4 0 "[ . 1 . 2]" 1
441 1 24 ASN H 1 107 MET ME . . 3.500 3.511 3.272 3.605 0.105 12 0 "[ . 1 . 2]" 1
442 1 24 ASN HA 1 25 ALA HA . . 4.860 4.860 4.812 4.897 0.037 15 0 "[ . 1 . 2]" 1
443 1 24 ASN HA 1 27 VAL H . . 4.460 3.706 3.480 4.083 . 0 0 "[ . 1 . 2]" 1
444 1 24 ASN HA 1 27 VAL MG2 . . 4.330 3.256 2.656 3.722 . 0 0 "[ . 1 . 2]" 1
445 1 24 ASN HA 1 28 TRP H . . 5.020 4.413 4.119 4.796 . 0 0 "[ . 1 . 2]" 1
446 1 24 ASN HA 1 28 TRP HE1 . . 5.400 4.319 3.936 4.709 . 0 0 "[ . 1 . 2]" 1
447 1 24 ASN HA 1 107 MET ME . . 2.870 2.109 1.978 2.338 . 0 0 "[ . 1 . 2]" 1
448 1 24 ASN HB2 1 25 ALA H . . 3.750 2.771 2.464 3.390 . 0 0 "[ . 1 . 2]" 1
449 1 24 ASN HB2 1 28 TRP HZ2 . . 4.430 4.099 2.778 4.503 0.073 15 0 "[ . 1 . 2]" 1
450 1 24 ASN HB3 1 25 ALA H . . 4.110 3.167 2.604 3.865 . 0 0 "[ . 1 . 2]" 1
451 1 24 ASN HB3 1 28 TRP HE1 . . 4.540 3.507 2.582 4.308 . 0 0 "[ . 1 . 2]" 1
452 1 24 ASN HB3 1 28 TRP HZ2 . . 4.130 3.100 2.730 3.439 . 0 0 "[ . 1 . 2]" 1
453 1 24 ASN HB3 1 107 MET ME . . 5.170 4.027 3.323 4.465 . 0 0 "[ . 1 . 2]" 1
454 1 24 ASN QD 1 60 ASP QB . . 5.040 4.091 3.282 4.731 . 0 0 "[ . 1 . 2]" 1
455 1 24 ASN QD 1 62 ILE HB . . 4.350 3.438 2.756 4.042 . 0 0 "[ . 1 . 2]" 1
456 1 24 ASN QD 1 62 ILE MD . . 3.820 3.048 2.206 3.908 0.088 11 0 "[ . 1 . 2]" 1
457 1 24 ASN QD 1 62 ILE HG12 . . 4.990 3.194 1.748 4.749 . 0 0 "[ . 1 . 2]" 1
458 1 24 ASN QD 1 62 ILE MG . . 4.890 4.410 3.845 5.005 0.115 15 0 "[ . 1 . 2]" 1
459 1 24 ASN QD 1 107 MET ME . . 4.750 4.054 3.381 4.620 . 0 0 "[ . 1 . 2]" 1
460 1 24 ASN HD21 1 61 PHE H . . 5.500 4.373 3.207 4.940 . 0 0 "[ . 1 . 2]" 1
461 1 24 ASN HD21 1 62 ILE MD . . 5.500 3.822 2.435 5.054 . 0 0 "[ . 1 . 2]" 1
462 1 24 ASN HD22 1 60 ASP HA . . 5.190 2.922 2.227 3.690 . 0 0 "[ . 1 . 2]" 1
463 1 24 ASN HD22 1 61 PHE H . . 4.270 3.146 2.243 3.818 . 0 0 "[ . 1 . 2]" 1
464 1 24 ASN HD22 1 62 ILE H . . 4.120 3.087 2.675 3.469 . 0 0 "[ . 1 . 2]" 1
465 1 24 ASN HD22 1 62 ILE MD . . 5.500 3.269 2.436 4.268 . 0 0 "[ . 1 . 2]" 1
466 1 24 ASN HD22 1 63 ALA H . . 4.830 4.626 3.939 4.912 0.082 13 0 "[ . 1 . 2]" 1
467 1 25 ALA H 1 25 ALA MB . . 2.740 2.241 2.200 2.299 . 0 0 "[ . 1 . 2]" 1
468 1 25 ALA H 1 26 LEU H . . 3.600 3.093 2.909 3.230 . 0 0 "[ . 1 . 2]" 1
469 1 25 ALA H 1 26 LEU QD . . 5.500 5.032 4.652 5.286 . 0 0 "[ . 1 . 2]" 1
470 1 25 ALA H 1 107 MET ME . . 5.040 4.893 4.735 5.059 0.019 19 0 "[ . 1 . 2]" 1
471 1 25 ALA HA 1 28 TRP H . . 3.970 3.294 3.091 3.445 . 0 0 "[ . 1 . 2]" 1
472 1 25 ALA HA 1 28 TRP HB3 . . 4.160 4.048 3.740 4.226 0.066 3 0 "[ . 1 . 2]" 1
473 1 25 ALA HA 1 28 TRP HE3 . . 3.580 2.635 2.148 3.122 . 0 0 "[ . 1 . 2]" 1
474 1 25 ALA HA 1 29 GLN H . . 4.390 3.862 3.645 4.113 . 0 0 "[ . 1 . 2]" 1
475 1 25 ALA MB 1 26 LEU H . . 3.090 2.493 2.296 2.666 . 0 0 "[ . 1 . 2]" 1
476 1 25 ALA MB 1 26 LEU HA . . 4.140 3.823 3.725 3.943 . 0 0 "[ . 1 . 2]" 1
477 1 25 ALA MB 1 26 LEU QD . . 4.310 3.428 2.914 4.034 . 0 0 "[ . 1 . 2]" 1
478 1 25 ALA MB 1 27 VAL H . . 4.660 4.422 4.310 4.557 . 0 0 "[ . 1 . 2]" 1
479 1 25 ALA MB 1 28 TRP H . . 4.570 4.521 4.217 4.630 0.060 11 0 "[ . 1 . 2]" 1
480 1 25 ALA MB 1 28 TRP HB2 . . 5.500 3.853 3.641 4.092 . 0 0 "[ . 1 . 2]" 1
481 1 25 ALA MB 1 28 TRP HB3 . . 5.410 5.182 4.882 5.426 0.016 11 0 "[ . 1 . 2]" 1
482 1 25 ALA MB 1 28 TRP HE3 . . 4.060 3.516 3.074 4.118 0.058 15 0 "[ . 1 . 2]" 1
483 1 25 ALA MB 1 29 GLN H . . 5.300 4.272 4.056 4.450 . 0 0 "[ . 1 . 2]" 1
484 1 25 ALA MB 1 29 GLN HE21 . . 5.460 4.407 3.164 5.539 0.079 10 0 "[ . 1 . 2]" 1
485 1 25 ALA MB 1 29 GLN HE22 . . 5.500 5.124 3.898 5.583 0.083 3 0 "[ . 1 . 2]" 1
486 1 25 ALA MB 1 29 GLN HG2 . . 5.500 4.145 3.974 4.380 . 0 0 "[ . 1 . 2]" 1
487 1 25 ALA MB 1 29 GLN HG3 . . 5.500 5.574 5.405 5.616 0.116 8 0 "[ . 1 . 2]" 1
488 1 26 LEU H 1 26 LEU HB2 . . 3.100 2.498 2.352 2.637 . 0 0 "[ . 1 . 2]" 1
489 1 26 LEU H 1 26 LEU HB3 . . 3.480 3.555 3.544 3.562 0.082 2 0 "[ . 1 . 2]" 1
490 1 26 LEU H 1 26 LEU QD . . 3.970 2.988 2.795 3.254 . 0 0 "[ . 1 . 2]" 1
491 1 26 LEU H 1 26 LEU HG . . 3.540 2.232 2.051 2.569 . 0 0 "[ . 1 . 2]" 1
492 1 26 LEU H 1 27 VAL H . . 3.500 2.894 2.746 3.009 . 0 0 "[ . 1 . 2]" 1
493 1 26 LEU H 1 27 VAL HB . . 5.230 5.201 4.858 5.307 0.077 5 0 "[ . 1 . 2]" 1
494 1 26 LEU H 1 27 VAL MG2 . . 4.460 4.291 3.911 4.535 0.075 1 0 "[ . 1 . 2]" 1
495 1 26 LEU H 1 28 TRP H . . 4.510 4.386 4.103 4.540 0.030 18 0 "[ . 1 . 2]" 1
496 1 26 LEU H 1 29 GLN H . . 4.830 4.892 4.794 4.914 0.084 18 0 "[ . 1 . 2]" 1
497 1 26 LEU HA 1 26 LEU QD . . 3.210 2.148 2.081 2.193 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU HA 1 26 LEU HG . . 4.140 3.191 2.964 3.379 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU HA 1 29 GLN H . . 4.290 3.620 3.414 3.771 . 0 0 "[ . 1 . 2]" 1
500 1 26 LEU HA 1 29 GLN HB2 . . 4.610 4.701 4.696 4.709 0.099 4 0 "[ . 1 . 2]" 1
501 1 26 LEU HA 1 29 GLN HB3 . . 4.160 4.142 4.009 4.230 0.070 16 0 "[ . 1 . 2]" 1
502 1 26 LEU HA 1 29 GLN HE21 . . 4.770 3.744 3.038 4.511 . 0 0 "[ . 1 . 2]" 1
503 1 26 LEU HA 1 29 GLN HG2 . . 5.020 1.995 1.946 2.094 . 0 0 "[ . 1 . 2]" 1
504 1 26 LEU HA 1 29 GLN HG3 . . 5.220 2.963 2.723 3.228 . 0 0 "[ . 1 . 2]" 1
505 1 26 LEU HA 1 30 ALA H . . 4.510 4.264 3.895 4.565 0.055 5 0 "[ . 1 . 2]" 1
506 1 26 LEU HB2 1 26 LEU QD . . 3.250 2.286 2.221 2.370 . 0 0 "[ . 1 . 2]" 1
507 1 26 LEU HB2 1 27 VAL H . . 3.860 3.028 2.721 3.161 . 0 0 "[ . 1 . 2]" 1
508 1 26 LEU HB2 1 27 VAL MG2 . . 3.820 3.396 2.772 3.660 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU HB2 1 29 GLN HG2 . . 5.280 4.871 4.796 4.994 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU HB3 1 26 LEU QD . . 3.190 2.117 2.067 2.173 . 0 0 "[ . 1 . 2]" 1
511 1 26 LEU HB3 1 27 VAL H . . 3.940 3.912 3.488 4.015 0.075 3 0 "[ . 1 . 2]" 1
512 1 26 LEU HB3 1 27 VAL MG2 . . 4.560 4.254 3.645 4.614 0.054 16 0 "[ . 1 . 2]" 1
513 1 26 LEU HB3 1 29 GLN HE22 . . 5.500 5.498 5.034 5.579 0.079 7 0 "[ . 1 . 2]" 1
514 1 26 LEU QD 1 27 VAL H . . 4.600 4.316 4.163 4.402 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU QD 1 29 GLN HE21 . . 4.670 3.449 2.775 4.159 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU QD 1 29 GLN HE22 . . 5.290 2.906 2.373 3.361 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU QD 1 29 GLN HG2 . . 5.220 3.371 3.084 3.562 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU HG 1 27 VAL H . . 4.730 4.636 4.420 4.778 0.048 5 0 "[ . 1 . 2]" 1
519 1 26 LEU HG 1 29 GLN HG2 . . 5.410 5.056 4.785 5.348 . 0 0 "[ . 1 . 2]" 1
520 1 27 VAL H 1 27 VAL HB . . 3.370 2.484 2.223 2.674 . 0 0 "[ . 1 . 2]" 1
521 1 27 VAL H 1 27 VAL MG1 . . 3.990 3.786 3.696 3.831 . 0 0 "[ . 1 . 2]" 1
522 1 27 VAL H 1 27 VAL MG2 . . 3.180 2.303 2.039 2.501 . 0 0 "[ . 1 . 2]" 1
523 1 27 VAL H 1 28 TRP H . . 3.340 2.411 2.199 2.587 . 0 0 "[ . 1 . 2]" 1
524 1 27 VAL H 1 28 TRP HD1 . . 5.500 4.804 4.465 5.328 . 0 0 "[ . 1 . 2]" 1
525 1 27 VAL H 1 29 GLN H . . 4.630 4.072 3.870 4.257 . 0 0 "[ . 1 . 2]" 1
526 1 27 VAL H 1 30 ALA H . . 5.210 4.873 4.677 5.216 0.006 2 0 "[ . 1 . 2]" 1
527 1 27 VAL H 1 107 MET ME . . 4.420 4.143 3.558 4.520 0.100 19 0 "[ . 1 . 2]" 1
528 1 27 VAL HA 1 27 VAL MG1 . . 3.310 2.401 2.182 2.626 . 0 0 "[ . 1 . 2]" 1
529 1 27 VAL HA 1 27 VAL MG2 . . 3.290 2.456 2.302 2.634 . 0 0 "[ . 1 . 2]" 1
530 1 27 VAL HA 1 29 GLN H . . 4.760 4.601 4.324 4.805 0.045 17 0 "[ . 1 . 2]" 1
531 1 27 VAL HA 1 30 ALA H . . 4.010 3.607 3.428 3.784 . 0 0 "[ . 1 . 2]" 1
532 1 27 VAL HA 1 30 ALA MB . . 3.490 2.892 2.548 3.597 0.107 2 0 "[ . 1 . 2]" 1
533 1 27 VAL HA 1 31 LEU H . . 5.080 4.323 3.896 4.787 . 0 0 "[ . 1 . 2]" 1
534 1 27 VAL HA 1 110 TRP HE3 . . 4.960 4.191 3.780 4.650 . 0 0 "[ . 1 . 2]" 1
535 1 27 VAL HA 1 110 TRP HH2 . . 4.950 4.088 3.503 4.627 . 0 0 "[ . 1 . 2]" 1
536 1 27 VAL HA 1 110 TRP HZ3 . . 4.090 2.524 2.248 3.087 . 0 0 "[ . 1 . 2]" 1
537 1 27 VAL HA 1 111 LEU QD . . 3.850 2.530 2.083 3.036 . 0 0 "[ . 1 . 2]" 1
538 1 27 VAL HB 1 28 TRP H . . 3.560 2.604 2.411 3.574 0.014 2 0 "[ . 1 . 2]" 1
539 1 27 VAL HB 1 29 GLN H . . 5.500 5.207 4.988 5.579 0.079 2 0 "[ . 1 . 2]" 1
540 1 27 VAL HB 1 61 PHE QE . . 5.170 3.039 2.258 4.209 . 0 0 "[ . 1 . 2]" 1
541 1 27 VAL MG1 1 28 TRP H . . 4.200 3.508 3.157 4.198 . 0 0 "[ . 1 . 2]" 1
542 1 27 VAL MG1 1 28 TRP HA . . 4.490 3.630 3.344 4.223 . 0 0 "[ . 1 . 2]" 1
543 1 27 VAL MG1 1 28 TRP HD1 . . 3.850 3.109 2.533 3.921 0.071 5 0 "[ . 1 . 2]" 1
544 1 27 VAL MG1 1 28 TRP HE1 . . 5.260 4.482 3.946 5.202 . 0 0 "[ . 1 . 2]" 1
545 1 27 VAL MG1 1 30 ALA H . . 4.910 4.798 4.632 5.026 0.116 2 0 "[ . 1 . 2]" 1
546 1 27 VAL MG1 1 30 ALA MB . . 4.510 3.752 3.387 4.300 . 0 0 "[ . 1 . 2]" 1
547 1 27 VAL MG1 1 31 LEU H . . 4.710 4.172 3.857 4.699 . 0 0 "[ . 1 . 2]" 1
548 1 27 VAL MG1 1 61 PHE QE . . 3.670 2.426 2.066 3.315 . 0 0 "[ . 1 . 2]" 1
549 1 27 VAL MG1 1 61 PHE HZ . . 3.690 2.785 2.264 3.742 0.052 19 0 "[ . 1 . 2]" 1
550 1 27 VAL MG1 1 71 LEU QD . . 3.810 2.671 2.153 3.230 . 0 0 "[ . 1 . 2]" 1
551 1 27 VAL MG1 1 107 MET ME . . 3.870 3.554 3.007 3.968 0.098 12 0 "[ . 1 . 2]" 1
552 1 27 VAL MG1 1 110 TRP HE3 . . 3.980 3.016 2.287 3.461 . 0 0 "[ . 1 . 2]" 1
553 1 27 VAL MG1 1 110 TRP HZ3 . . 4.570 2.586 2.187 3.069 . 0 0 "[ . 1 . 2]" 1
554 1 27 VAL MG1 1 111 LEU HG . . 4.560 3.879 3.216 4.475 . 0 0 "[ . 1 . 2]" 1
555 1 27 VAL MG2 1 28 TRP H . . 4.270 3.821 3.536 4.166 . 0 0 "[ . 1 . 2]" 1
556 1 27 VAL MG2 1 30 ALA H . . 5.500 5.391 5.137 5.591 0.091 5 0 "[ . 1 . 2]" 1
557 1 27 VAL MG2 1 71 LEU QD . . 4.350 3.659 3.193 4.078 . 0 0 "[ . 1 . 2]" 1
558 1 27 VAL MG2 1 107 MET H . . 4.970 4.964 4.774 5.063 0.093 4 0 "[ . 1 . 2]" 1
559 1 27 VAL MG2 1 107 MET HA . . 4.320 3.774 3.436 3.964 . 0 0 "[ . 1 . 2]" 1
560 1 27 VAL MG2 1 107 MET QB . . 4.840 2.038 1.964 2.198 . 0 0 "[ . 1 . 2]" 1
561 1 27 VAL MG2 1 107 MET ME . . 3.060 2.193 1.887 2.557 . 0 0 "[ . 1 . 2]" 1
562 1 27 VAL MG2 1 107 MET QG . . 5.130 2.826 2.068 3.525 . 0 0 "[ . 1 . 2]" 1
563 1 27 VAL MG2 1 110 TRP HE3 . . 3.730 3.233 2.691 3.769 0.039 5 0 "[ . 1 . 2]" 1
564 1 27 VAL MG2 1 110 TRP HZ3 . . 4.140 3.311 2.419 4.220 0.080 17 0 "[ . 1 . 2]" 1
565 1 27 VAL MG2 1 111 LEU H . . 4.890 4.816 4.544 4.976 0.086 12 0 "[ . 1 . 2]" 1
566 1 27 VAL MG2 1 111 LEU HG . . 3.670 2.811 2.239 3.596 . 0 0 "[ . 1 . 2]" 1
567 1 28 TRP H 1 28 TRP HB2 . . 3.390 2.527 2.417 2.653 . 0 0 "[ . 1 . 2]" 1
568 1 28 TRP H 1 28 TRP HB3 . . 4.040 3.546 3.513 3.604 . 0 0 "[ . 1 . 2]" 1
569 1 28 TRP H 1 28 TRP HD1 . . 3.830 2.905 2.644 3.366 . 0 0 "[ . 1 . 2]" 1
570 1 28 TRP H 1 28 TRP HE3 . . 4.970 4.695 4.496 4.906 . 0 0 "[ . 1 . 2]" 1
571 1 28 TRP H 1 29 GLN H . . 3.560 2.839 2.189 2.975 . 0 0 "[ . 1 . 2]" 1
572 1 28 TRP H 1 30 ALA H . . 4.720 4.343 4.171 4.526 . 0 0 "[ . 1 . 2]" 1
573 1 28 TRP HA 1 28 TRP HD1 . . 3.480 2.411 2.298 2.538 . 0 0 "[ . 1 . 2]" 1
574 1 28 TRP HA 1 28 TRP HE1 . . 5.500 4.898 4.784 5.015 . 0 0 "[ . 1 . 2]" 1
575 1 28 TRP HA 1 30 ALA H . . 4.640 4.527 4.328 4.697 0.057 13 0 "[ . 1 . 2]" 1
576 1 28 TRP HA 1 31 LEU H . . 4.870 3.685 3.359 4.292 . 0 0 "[ . 1 . 2]" 1
577 1 28 TRP HA 1 31 LEU HB2 . . 4.180 3.035 2.322 3.559 . 0 0 "[ . 1 . 2]" 1
578 1 28 TRP HA 1 31 LEU HB3 . . 5.140 4.631 3.826 5.202 0.062 7 0 "[ . 1 . 2]" 1
579 1 28 TRP HA 1 31 LEU QD . . 4.070 2.863 2.205 3.483 . 0 0 "[ . 1 . 2]" 1
580 1 28 TRP HB2 1 29 GLN H . . 3.550 2.597 2.449 2.761 . 0 0 "[ . 1 . 2]" 1
581 1 28 TRP HB2 1 29 GLN HA . . 4.740 4.388 4.214 4.564 . 0 0 "[ . 1 . 2]" 1
582 1 28 TRP HB2 1 29 GLN HB3 . . 4.680 4.526 4.208 4.744 0.064 14 0 "[ . 1 . 2]" 1
583 1 28 TRP HB2 1 29 GLN HG2 . . 5.410 4.435 4.202 4.662 . 0 0 "[ . 1 . 2]" 1
584 1 28 TRP HB3 1 29 GLN H . . 4.060 3.662 3.451 3.787 . 0 0 "[ . 1 . 2]" 1
585 1 28 TRP HD1 1 58 PRO QB . . 4.330 3.746 3.308 4.033 . 0 0 "[ . 1 . 2]" 1
586 1 28 TRP HD1 1 59 PRO HD2 . . 4.770 2.745 2.444 3.156 . 0 0 "[ . 1 . 2]" 1
587 1 28 TRP HD1 1 61 PHE QE . . 3.380 3.034 2.539 3.449 0.069 20 0 "[ . 1 . 2]" 1
588 1 28 TRP HE1 1 58 PRO HA . . 5.320 4.742 4.050 5.179 . 0 0 "[ . 1 . 2]" 1
589 1 28 TRP HE1 1 58 PRO QB . . 4.700 3.067 2.785 3.368 . 0 0 "[ . 1 . 2]" 1
590 1 28 TRP HE1 1 59 PRO HD2 . . 4.750 2.906 2.411 3.212 . 0 0 "[ . 1 . 2]" 1
591 1 28 TRP HE1 1 59 PRO HG2 . . 4.820 2.530 2.253 3.219 . 0 0 "[ . 1 . 2]" 1
592 1 28 TRP HE1 1 60 ASP HA . . 4.720 3.950 3.569 4.644 . 0 0 "[ . 1 . 2]" 1
593 1 28 TRP HE1 1 61 PHE H . . 4.790 4.071 3.563 4.496 . 0 0 "[ . 1 . 2]" 1
594 1 28 TRP HE1 1 61 PHE QD . . 4.520 3.275 2.761 3.781 . 0 0 "[ . 1 . 2]" 1
595 1 28 TRP HE1 1 61 PHE QE . . 3.960 2.999 2.543 3.358 . 0 0 "[ . 1 . 2]" 1
596 1 28 TRP HH2 1 58 PRO HG2 . . 4.900 3.705 3.092 4.502 . 0 0 "[ . 1 . 2]" 1
597 1 28 TRP HZ2 1 58 PRO HA . . 5.500 5.534 5.262 5.586 0.086 10 0 "[ . 1 . 2]" 1
598 1 28 TRP HZ2 1 58 PRO HG2 . . 4.600 3.604 3.081 4.312 . 0 0 "[ . 1 . 2]" 1
599 1 28 TRP HZ2 1 59 PRO HD2 . . 4.800 4.800 4.618 4.869 0.069 12 0 "[ . 1 . 2]" 1
600 1 28 TRP HZ2 1 60 ASP HA . . 3.530 3.019 2.239 3.580 0.050 3 0 "[ . 1 . 2]" 1
601 1 28 TRP HZ2 1 61 PHE H . . 4.500 4.349 3.757 4.576 0.076 20 0 "[ . 1 . 2]" 1
602 1 29 GLN H 1 29 GLN HB2 . . 3.660 3.642 3.585 3.680 0.020 3 0 "[ . 1 . 2]" 1
603 1 29 GLN H 1 29 GLN HB3 . . 3.280 2.720 2.583 2.842 . 0 0 "[ . 1 . 2]" 1
604 1 29 GLN H 1 29 GLN HE21 . . 5.500 4.401 3.675 5.205 . 0 0 "[ . 1 . 2]" 1
605 1 29 GLN H 1 29 GLN HG2 . . 3.850 2.160 2.062 2.304 . 0 0 "[ . 1 . 2]" 1
606 1 29 GLN H 1 29 GLN HG3 . . 3.850 3.049 2.800 3.534 . 0 0 "[ . 1 . 2]" 1
607 1 29 GLN H 1 30 ALA H . . 3.760 2.833 2.675 2.973 . 0 0 "[ . 1 . 2]" 1
608 1 29 GLN H 1 30 ALA MB . . 4.770 4.481 4.357 4.630 . 0 0 "[ . 1 . 2]" 1
609 1 29 GLN HA 1 29 GLN HE21 . . 5.030 4.592 4.336 5.092 0.062 10 0 "[ . 1 . 2]" 1
610 1 29 GLN HA 1 29 GLN HG2 . . 3.700 3.753 3.707 3.781 0.081 17 0 "[ . 1 . 2]" 1
611 1 29 GLN HA 1 30 ALA MB . . 5.260 5.051 5.019 5.073 . 0 0 "[ . 1 . 2]" 1
612 1 29 GLN HA 1 32 GLY H . . 4.090 3.519 3.239 3.755 . 0 0 "[ . 1 . 2]" 1
613 1 29 GLN HA 1 33 TYR H . . 4.390 3.901 3.118 4.413 0.023 13 0 "[ . 1 . 2]" 1
614 1 29 GLN HB2 1 29 GLN HE22 . . 5.420 3.866 3.649 4.308 . 0 0 "[ . 1 . 2]" 1
615 1 29 GLN HB2 1 30 ALA H . . 3.620 3.651 3.542 3.703 0.083 10 0 "[ . 1 . 2]" 1
616 1 29 GLN HB3 1 29 GLN HE22 . . 5.380 3.842 3.655 4.022 . 0 0 "[ . 1 . 2]" 1
617 1 29 GLN HE21 1 29 GLN HG2 . . 3.670 2.874 2.477 3.601 . 0 0 "[ . 1 . 2]" 1
618 1 29 GLN HE21 1 30 ALA H . . 5.360 5.378 5.053 5.441 0.081 12 0 "[ . 1 . 2]" 1
619 1 29 GLN HG2 1 30 ALA H . . 4.300 3.039 2.366 3.311 . 0 0 "[ . 1 . 2]" 1
620 1 29 GLN HG3 1 30 ALA H . . 4.580 2.149 1.926 2.763 . 0 0 "[ . 1 . 2]" 1
621 1 30 ALA H 1 30 ALA MB . . 3.010 2.226 2.176 2.268 . 0 0 "[ . 1 . 2]" 1
622 1 30 ALA H 1 31 LEU H . . 3.620 2.752 2.555 2.934 . 0 0 "[ . 1 . 2]" 1
623 1 30 ALA H 1 32 GLY H . . 4.780 4.187 3.929 4.408 . 0 0 "[ . 1 . 2]" 1
624 1 30 ALA H 1 110 TRP HH2 . . 4.720 4.607 4.250 4.805 0.085 12 0 "[ . 1 . 2]" 1
625 1 30 ALA HA 1 32 GLY H . . 4.800 4.551 4.112 4.861 0.061 17 0 "[ . 1 . 2]" 1
626 1 30 ALA HA 1 110 TRP HH2 . . 5.200 4.691 4.390 5.033 . 0 0 "[ . 1 . 2]" 1
627 1 30 ALA HA 1 114 TYR QE . . 3.790 3.777 3.422 3.886 0.096 19 0 "[ . 1 . 2]" 1
628 1 30 ALA MB 1 31 LEU H . . 3.680 2.643 2.427 2.736 . 0 0 "[ . 1 . 2]" 1
629 1 30 ALA MB 1 31 LEU HA . . 4.830 4.053 3.972 4.146 . 0 0 "[ . 1 . 2]" 1
630 1 30 ALA MB 1 31 LEU HB3 . . 5.420 5.492 5.346 5.528 0.108 2 0 "[ . 1 . 2]" 1
631 1 30 ALA MB 1 31 LEU QD . . 5.350 3.409 2.609 4.263 . 0 0 "[ . 1 . 2]" 1
632 1 30 ALA MB 1 32 GLY H . . 4.850 4.643 4.376 4.826 . 0 0 "[ . 1 . 2]" 1
633 1 30 ALA MB 1 110 TRP HH2 . . 2.860 2.293 2.078 2.655 . 0 0 "[ . 1 . 2]" 1
634 1 30 ALA MB 1 110 TRP HZ2 . . 4.460 4.302 4.065 4.526 0.066 11 0 "[ . 1 . 2]" 1
635 1 30 ALA MB 1 110 TRP HZ3 . . 3.190 2.530 2.099 3.014 . 0 0 "[ . 1 . 2]" 1
636 1 30 ALA MB 1 114 TYR HB3 . . 5.030 4.394 4.070 4.629 . 0 0 "[ . 1 . 2]" 1
637 1 30 ALA MB 1 114 TYR QE . . 2.940 2.855 2.569 3.044 0.104 16 0 "[ . 1 . 2]" 1
638 1 31 LEU H 1 31 LEU HB2 . . 3.350 2.347 2.150 2.536 . 0 0 "[ . 1 . 2]" 1
639 1 31 LEU H 1 31 LEU HB3 . . 3.580 3.582 3.441 3.650 0.070 4 0 "[ . 1 . 2]" 1
640 1 31 LEU H 1 31 LEU QD . . 3.940 2.700 2.121 3.428 . 0 0 "[ . 1 . 2]" 1
641 1 31 LEU H 1 31 LEU HG . . 4.240 3.629 2.398 4.306 0.066 8 0 "[ . 1 . 2]" 1
642 1 31 LEU H 1 32 GLY H . . 3.520 2.663 2.496 2.865 . 0 0 "[ . 1 . 2]" 1
643 1 31 LEU H 1 32 GLY HA3 . . 5.230 5.266 5.133 5.394 0.164 13 0 "[ . 1 . 2]" 1
644 1 31 LEU H 1 110 TRP HH2 . . 4.570 3.239 2.854 3.675 . 0 0 "[ . 1 . 2]" 1
645 1 31 LEU HA 1 31 LEU HB3 . . 2.870 2.585 2.452 2.686 . 0 0 "[ . 1 . 2]" 1
646 1 31 LEU HA 1 31 LEU QD . . 2.920 2.055 1.967 2.201 . 0 0 "[ . 1 . 2]" 1
647 1 31 LEU HA 1 33 TYR QE . . 5.050 5.081 4.793 5.136 0.086 4 0 "[ . 1 . 2]" 1
648 1 31 LEU HA 1 110 TRP HH2 . . 4.450 3.614 2.934 4.283 . 0 0 "[ . 1 . 2]" 1
649 1 31 LEU HA 1 110 TRP HZ2 . . 4.410 4.016 3.385 4.456 0.046 17 0 "[ . 1 . 2]" 1
650 1 31 LEU HB2 1 32 GLY H . . 4.430 2.548 2.263 3.034 . 0 0 "[ . 1 . 2]" 1
651 1 31 LEU HB2 1 33 TYR H . . 5.200 3.137 2.836 3.440 . 0 0 "[ . 1 . 2]" 1
652 1 31 LEU HB2 1 33 TYR QE . . 4.100 3.222 2.559 3.979 . 0 0 "[ . 1 . 2]" 1
653 1 31 LEU HB3 1 32 GLY H . . 4.530 3.233 2.720 3.543 . 0 0 "[ . 1 . 2]" 1
654 1 31 LEU HB3 1 33 TYR H . . 5.130 3.681 3.064 4.252 . 0 0 "[ . 1 . 2]" 1
655 1 31 LEU HB3 1 33 TYR QE . . 3.890 2.738 2.391 3.173 . 0 0 "[ . 1 . 2]" 1
656 1 31 LEU QD 1 32 GLY H . . 5.430 3.891 3.616 4.317 . 0 0 "[ . 1 . 2]" 1
657 1 31 LEU QD 1 33 TYR QE . . 3.190 2.561 1.934 3.154 . 0 0 "[ . 1 . 2]" 1
658 1 31 LEU QD 1 47 VAL QG . . 5.150 2.986 2.412 3.357 . 0 0 "[ . 1 . 2]" 1
659 1 31 LEU QD 1 48 ALA MB . . 4.950 4.029 3.307 4.763 . 0 0 "[ . 1 . 2]" 1
660 1 31 LEU QD 1 51 TRP HD1 . . 3.640 3.341 2.833 3.689 0.049 15 0 "[ . 1 . 2]" 1
661 1 31 LEU QD 1 51 TRP HE1 . . 3.880 3.112 2.525 3.610 . 0 0 "[ . 1 . 2]" 1
662 1 31 LEU QD 1 51 TRP HE3 . . 4.480 3.351 2.499 4.071 . 0 0 "[ . 1 . 2]" 1
663 1 31 LEU QD 1 51 TRP HH2 . . 4.350 3.620 3.132 4.030 . 0 0 "[ . 1 . 2]" 1
664 1 31 LEU QD 1 51 TRP HZ2 . . 4.380 3.308 3.069 3.543 . 0 0 "[ . 1 . 2]" 1
665 1 31 LEU QD 1 71 LEU QD . . 4.590 3.115 2.520 3.507 . 0 0 "[ . 1 . 2]" 1
666 1 31 LEU QD 1 110 TRP HE1 . . 4.690 3.729 3.398 4.409 . 0 0 "[ . 1 . 2]" 1
667 1 31 LEU QD 1 110 TRP HH2 . . 3.640 2.456 1.977 3.318 . 0 0 "[ . 1 . 2]" 1
668 1 31 LEU QD 1 110 TRP HZ2 . . 2.990 2.168 1.914 3.007 0.017 14 0 "[ . 1 . 2]" 1
669 1 31 LEU HG 1 110 TRP HZ2 . . 4.260 3.978 2.825 4.357 0.097 4 0 "[ . 1 . 2]" 1
670 1 32 GLY H 1 33 TYR H . . 3.300 1.997 1.791 2.330 . 0 0 "[ . 1 . 2]" 1
671 1 32 GLY H 1 33 TYR HB2 . . 5.110 4.152 3.974 4.387 . 0 0 "[ . 1 . 2]" 1
672 1 32 GLY H 1 47 VAL QG . . 4.730 3.744 2.969 4.149 . 0 0 "[ . 1 . 2]" 1
673 1 32 GLY HA2 1 46 LEU HB2 . . 4.800 3.359 2.609 4.056 . 0 0 "[ . 1 . 2]" 1
674 1 32 GLY HA2 1 46 LEU HB3 . . 4.710 3.798 2.975 5.162 0.452 7 0 "[ . 1 . 2]" 1
675 1 32 GLY HA2 1 47 VAL QG . . 4.570 3.992 3.474 4.234 . 0 0 "[ . 1 . 2]" 1
676 1 32 GLY HA3 1 34 VAL QG . . 4.710 4.030 3.528 4.512 . 0 0 "[ . 1 . 2]" 1
677 1 32 GLY HA3 1 46 LEU QD . . 4.590 4.092 3.495 4.566 . 0 0 "[ . 1 . 2]" 1
678 1 32 GLY HA3 1 47 VAL HA . . 4.550 3.109 2.549 3.651 . 0 0 "[ . 1 . 2]" 1
679 1 32 GLY HA3 1 47 VAL QG . . 4.350 2.938 2.277 3.332 . 0 0 "[ . 1 . 2]" 1
680 1 33 TYR H 1 33 TYR HB2 . . 3.690 2.403 2.271 2.577 . 0 0 "[ . 1 . 2]" 1
681 1 33 TYR H 1 33 TYR HB3 . . 4.010 3.584 3.537 3.638 . 0 0 "[ . 1 . 2]" 1
682 1 33 TYR H 1 33 TYR QD . . 4.250 2.423 2.021 2.750 . 0 0 "[ . 1 . 2]" 1
683 1 33 TYR H 1 33 TYR QE . . 4.790 4.510 4.255 4.759 . 0 0 "[ . 1 . 2]" 1
684 1 33 TYR H 1 34 VAL QG . . 4.800 3.997 3.431 4.494 . 0 0 "[ . 1 . 2]" 1
685 1 33 TYR H 1 47 VAL QG . . 4.000 3.275 2.902 3.759 . 0 0 "[ . 1 . 2]" 1
686 1 33 TYR HA 1 33 TYR QE . . 5.060 4.682 4.371 5.000 . 0 0 "[ . 1 . 2]" 1
687 1 33 TYR HA 1 42 TRP HE3 . . 4.880 4.566 4.207 4.948 0.068 13 0 "[ . 1 . 2]" 1
688 1 33 TYR HA 1 43 LYS H . . 5.080 4.108 3.244 4.971 . 0 0 "[ . 1 . 2]" 1
689 1 33 TYR HA 1 44 THR HA . . 4.710 3.474 2.607 4.450 . 0 0 "[ . 1 . 2]" 1
690 1 33 TYR HA 1 44 THR MG . . 4.950 3.669 2.700 4.262 . 0 0 "[ . 1 . 2]" 1
691 1 33 TYR HA 1 47 VAL QG . . 3.950 2.741 2.063 3.683 . 0 0 "[ . 1 . 2]" 1
692 1 33 TYR HB2 1 34 VAL H . . 4.710 3.392 2.497 4.456 . 0 0 "[ . 1 . 2]" 1
693 1 33 TYR HB3 1 34 VAL H . . 4.310 3.784 3.143 4.386 0.076 6 0 "[ . 1 . 2]" 1
694 1 33 TYR HB3 1 42 TRP HE3 . . 3.950 3.079 2.438 4.007 0.057 17 0 "[ . 1 . 2]" 1
695 1 33 TYR QE 1 44 THR MG . . 3.300 2.880 2.299 3.387 0.087 1 0 "[ . 1 . 2]" 1
696 1 33 TYR QE 1 47 VAL QG . . 3.820 2.665 2.131 3.065 . 0 0 "[ . 1 . 2]" 1
697 1 33 TYR QE 1 55 TYR HB2 . . 3.850 3.200 2.568 4.203 0.353 10 0 "[ . 1 . 2]" 1
698 1 33 TYR QE 1 56 PRO HA . . 5.330 5.244 4.641 5.420 0.090 20 0 "[ . 1 . 2]" 1
699 1 33 TYR QE 1 57 GLU H . . 5.040 4.858 3.912 5.129 0.089 7 0 "[ . 1 . 2]" 1
700 1 34 VAL H 1 34 VAL HB . . 3.310 2.896 2.305 3.404 0.094 4 0 "[ . 1 . 2]" 1
701 1 34 VAL H 1 34 VAL QG . . 3.380 2.519 1.888 3.145 . 0 0 "[ . 1 . 2]" 1
702 1 34 VAL H 1 35 TRP H . . 4.760 4.162 3.677 4.697 . 0 0 "[ . 1 . 2]" 1
703 1 34 VAL H 1 43 LYS QB . . 4.850 4.055 2.238 4.948 0.098 9 0 "[ . 1 . 2]" 1
704 1 34 VAL H 1 47 VAL QG . . 4.730 4.632 4.108 4.737 0.007 17 0 "[ . 1 . 2]" 1
705 1 34 VAL HA 1 34 VAL QG . . 3.050 2.264 2.105 2.469 . 0 0 "[ . 1 . 2]" 1
706 1 34 VAL HA 1 35 TRP H . . 2.960 2.184 2.073 2.389 . 0 0 "[ . 1 . 2]" 1
707 1 34 VAL HA 1 35 TRP HB2 . . 5.070 4.658 4.456 4.991 . 0 0 "[ . 1 . 2]" 1
708 1 34 VAL HA 1 35 TRP HB3 . . 5.060 4.479 4.265 4.750 . 0 0 "[ . 1 . 2]" 1
709 1 34 VAL HA 1 42 TRP HE3 . . 4.290 4.040 3.580 4.342 0.052 5 0 "[ . 1 . 2]" 1
710 1 34 VAL HB 1 35 TRP H . . 4.850 4.200 3.928 4.433 . 0 0 "[ . 1 . 2]" 1
711 1 34 VAL QG 1 35 TRP H . . 3.220 2.803 2.330 3.166 . 0 0 "[ . 1 . 2]" 1
712 1 34 VAL QG 1 35 TRP HB2 . . 4.900 4.703 4.408 4.825 . 0 0 "[ . 1 . 2]" 1
713 1 34 VAL QG 1 36 ASP H . . 5.300 4.311 3.776 4.929 . 0 0 "[ . 1 . 2]" 1
714 1 34 VAL QG 1 36 ASP HA . . 4.590 3.845 3.353 4.521 . 0 0 "[ . 1 . 2]" 1
715 1 34 VAL QG 1 37 GLU H . . 5.500 4.954 4.363 5.390 . 0 0 "[ . 1 . 2]" 1
716 1 34 VAL QG 1 43 LYS H . . 4.790 3.762 3.342 4.321 . 0 0 "[ . 1 . 2]" 1
717 1 34 VAL QG 1 43 LYS QB . . 4.850 2.716 2.028 3.547 . 0 0 "[ . 1 . 2]" 1
718 1 34 VAL QG 1 43 LYS QD . . 4.170 3.187 2.036 4.088 . 0 0 "[ . 1 . 2]" 1
719 1 34 VAL QG 1 43 LYS HE2 . . 4.130 3.109 1.966 4.259 0.129 3 0 "[ . 1 . 2]" 1
720 1 34 VAL QG 1 43 LYS HE3 . . 4.340 2.523 1.806 3.934 . 0 0 "[ . 1 . 2]" 1
721 1 34 VAL QG 1 47 VAL QG . . 5.420 4.351 3.919 4.978 . 0 0 "[ . 1 . 2]" 1
722 1 35 TRP H 1 35 TRP HB2 . . 3.540 2.621 2.350 2.907 . 0 0 "[ . 1 . 2]" 1
723 1 35 TRP H 1 35 TRP HB3 . . 3.440 2.389 2.285 2.544 . 0 0 "[ . 1 . 2]" 1
724 1 35 TRP H 1 35 TRP HD1 . . 4.930 4.758 4.546 4.974 0.044 5 0 "[ . 1 . 2]" 1
725 1 35 TRP H 1 36 ASP H . . 4.810 4.497 4.315 4.660 . 0 0 "[ . 1 . 2]" 1
726 1 35 TRP H 1 42 TRP HE3 . . 4.490 3.418 3.045 3.758 . 0 0 "[ . 1 . 2]" 1
727 1 35 TRP H 1 42 TRP HZ3 . . 4.320 2.862 2.386 3.212 . 0 0 "[ . 1 . 2]" 1
728 1 35 TRP HA 1 35 TRP HD1 . . 4.920 4.392 4.219 4.528 . 0 0 "[ . 1 . 2]" 1
729 1 35 TRP HA 1 35 TRP HE3 . . 4.330 2.832 2.562 3.149 . 0 0 "[ . 1 . 2]" 1
730 1 35 TRP HA 1 36 ASP H . . 3.080 2.162 2.042 2.274 . 0 0 "[ . 1 . 2]" 1
731 1 35 TRP HA 1 42 TRP HA . . 3.700 2.458 2.191 2.595 . 0 0 "[ . 1 . 2]" 1
732 1 35 TRP HA 1 42 TRP HE3 . . 4.360 2.918 2.629 3.126 . 0 0 "[ . 1 . 2]" 1
733 1 35 TRP HA 1 43 LYS H . . 4.270 3.566 3.210 3.991 . 0 0 "[ . 1 . 2]" 1
734 1 35 TRP HB2 1 35 TRP HD1 . . 3.860 3.738 3.670 3.819 . 0 0 "[ . 1 . 2]" 1
735 1 35 TRP HB2 1 42 TRP HA . . 4.360 4.380 4.038 4.438 0.078 12 0 "[ . 1 . 2]" 1
736 1 35 TRP HB2 1 42 TRP HH2 . . 4.630 3.344 3.170 3.499 . 0 0 "[ . 1 . 2]" 1
737 1 35 TRP HB3 1 35 TRP HD1 . . 3.370 2.579 2.527 2.687 . 0 0 "[ . 1 . 2]" 1
738 1 35 TRP HB3 1 35 TRP HE1 . . 5.160 4.744 4.694 4.823 . 0 0 "[ . 1 . 2]" 1
739 1 35 TRP HB3 1 42 TRP HH2 . . 4.710 4.693 4.413 4.787 0.077 14 0 "[ . 1 . 2]" 1
740 1 35 TRP HD1 1 36 ASP H . . 4.620 4.595 4.198 4.704 0.084 13 0 "[ . 1 . 2]" 1
741 1 35 TRP HD1 1 37 GLU H . . 4.070 3.160 2.716 3.496 . 0 0 "[ . 1 . 2]" 1
742 1 35 TRP HD1 1 37 GLU HA . . 3.640 3.603 3.276 3.715 0.075 6 0 "[ . 1 . 2]" 1
743 1 35 TRP HD1 1 37 GLU HB2 . . 3.840 2.634 2.265 3.005 . 0 0 "[ . 1 . 2]" 1
744 1 35 TRP HD1 1 37 GLU HB3 . . 4.420 4.093 3.797 4.268 . 0 0 "[ . 1 . 2]" 1
745 1 35 TRP HE1 1 37 GLU H . . 4.720 3.868 3.513 4.291 . 0 0 "[ . 1 . 2]" 1
746 1 35 TRP HE1 1 37 GLU HA . . 3.220 2.185 1.881 2.339 . 0 0 "[ . 1 . 2]" 1
747 1 35 TRP HE1 1 37 GLU HB2 . . 3.870 2.533 2.435 2.724 . 0 0 "[ . 1 . 2]" 1
748 1 35 TRP HE1 1 37 GLU HB3 . . 3.990 4.056 4.013 4.072 0.082 1 0 "[ . 1 . 2]" 1
749 1 35 TRP HE1 1 37 GLU QG . . 3.550 2.906 1.964 3.586 0.036 16 0 "[ . 1 . 2]" 1
750 1 35 TRP HE1 1 38 ALA H . . 5.470 5.468 5.230 5.539 0.069 19 0 "[ . 1 . 2]" 1
751 1 35 TRP HE1 1 40 SER H . . 5.290 5.010 4.779 5.177 . 0 0 "[ . 1 . 2]" 1
752 1 35 TRP HE1 1 40 SER HA . . 4.380 3.911 3.576 4.227 . 0 0 "[ . 1 . 2]" 1
753 1 35 TRP HE3 1 36 ASP H . . 4.650 4.032 3.344 4.713 0.063 19 0 "[ . 1 . 2]" 1
754 1 35 TRP HE3 1 41 CYS HA . . 4.560 4.034 3.587 4.572 0.012 19 0 "[ . 1 . 2]" 1
755 1 35 TRP HE3 1 42 TRP H . . 5.170 4.099 3.648 4.634 . 0 0 "[ . 1 . 2]" 1
756 1 35 TRP HE3 1 42 TRP HD1 . . 4.610 4.508 4.021 4.689 0.079 5 0 "[ . 1 . 2]" 1
757 1 35 TRP HE3 1 42 TRP HE1 . . 4.120 3.891 3.531 4.192 0.072 14 0 "[ . 1 . 2]" 1
758 1 35 TRP HE3 1 42 TRP HZ2 . . 4.970 3.766 3.390 4.049 . 0 0 "[ . 1 . 2]" 1
759 1 35 TRP HH2 1 40 SER HA . . 4.130 3.460 2.875 3.808 . 0 0 "[ . 1 . 2]" 1
760 1 35 TRP HH2 1 40 SER HB2 . . 4.010 3.804 2.912 4.568 0.558 11 2 "[ . 1+ - . 2]" 1
761 1 35 TRP HH2 1 40 SER HB3 . . 4.910 3.852 2.604 4.971 0.061 5 0 "[ . 1 . 2]" 1
762 1 35 TRP HH2 1 41 CYS HA . . 4.150 3.716 3.119 4.210 0.060 4 0 "[ . 1 . 2]" 1
763 1 35 TRP HZ2 1 37 GLU HA . . 3.960 3.520 3.308 3.839 . 0 0 "[ . 1 . 2]" 1
764 1 35 TRP HZ2 1 37 GLU QG . . 4.860 4.497 3.758 4.924 0.064 11 0 "[ . 1 . 2]" 1
765 1 35 TRP HZ2 1 40 SER H . . 4.530 4.520 4.259 4.600 0.070 3 0 "[ . 1 . 2]" 1
766 1 35 TRP HZ2 1 40 SER HA . . 3.350 2.518 2.247 2.656 . 0 0 "[ . 1 . 2]" 1
767 1 35 TRP HZ2 1 40 SER HB2 . . 3.740 3.729 2.889 4.474 0.734 10 6 "[** . +* * . - 2]" 1
768 1 35 TRP HZ2 1 40 SER HB3 . . 4.410 3.353 2.425 4.470 0.060 6 0 "[ . 1 . 2]" 1
769 1 35 TRP HZ2 1 41 CYS H . . 5.000 4.698 4.259 5.070 0.070 19 0 "[ . 1 . 2]" 1
770 1 36 ASP H 1 36 ASP QB . . 3.480 2.385 2.177 2.845 . 0 0 "[ . 1 . 2]" 1
771 1 36 ASP H 1 41 CYS H . . 3.870 3.319 3.009 3.602 . 0 0 "[ . 1 . 2]" 1
772 1 36 ASP H 1 42 TRP HA . . 4.020 3.134 2.758 3.506 . 0 0 "[ . 1 . 2]" 1
773 1 36 ASP H 1 42 TRP HE3 . . 4.700 4.767 4.736 4.785 0.085 16 0 "[ . 1 . 2]" 1
774 1 36 ASP H 1 43 LYS H . . 4.420 3.532 2.713 4.412 . 0 0 "[ . 1 . 2]" 1
775 1 36 ASP H 1 43 LYS QG . . 5.050 4.053 3.197 4.933 . 0 0 "[ . 1 . 2]" 1
776 1 36 ASP HA 1 37 GLU H . . 2.760 2.189 2.041 2.377 . 0 0 "[ . 1 . 2]" 1
777 1 36 ASP HA 1 37 GLU HB2 . . 4.700 4.596 4.345 4.765 0.065 3 0 "[ . 1 . 2]" 1
778 1 36 ASP HA 1 38 ALA H . . 3.860 3.475 3.082 3.795 . 0 0 "[ . 1 . 2]" 1
779 1 36 ASP QB 1 37 GLU H . . 4.570 3.922 3.698 4.053 . 0 0 "[ . 1 . 2]" 1
780 1 36 ASP QB 1 38 ALA H . . 4.910 3.790 3.014 4.257 . 0 0 "[ . 1 . 2]" 1
781 1 36 ASP QB 1 39 GLN H . . 4.610 2.752 2.318 3.150 . 0 0 "[ . 1 . 2]" 1
782 1 36 ASP QB 1 39 GLN HB3 . . 4.100 3.840 3.517 4.053 . 0 0 "[ . 1 . 2]" 1
783 1 36 ASP QB 1 39 GLN HE21 . . 5.110 3.543 2.449 4.805 . 0 0 "[ . 1 . 2]" 1
784 1 36 ASP QB 1 39 GLN QG . . 5.170 3.177 2.286 3.883 . 0 0 "[ . 1 . 2]" 1
785 1 36 ASP QB 1 40 SER H . . 5.220 3.868 3.692 4.117 . 0 0 "[ . 1 . 2]" 1
786 1 36 ASP QB 1 41 CYS H . . 3.800 3.103 2.595 3.582 . 0 0 "[ . 1 . 2]" 1
787 1 36 ASP QB 1 43 LYS H . . 5.220 3.559 2.925 4.222 . 0 0 "[ . 1 . 2]" 1
788 1 36 ASP QB 1 43 LYS QB . . 5.500 3.537 2.204 5.194 . 0 0 "[ . 1 . 2]" 1
789 1 36 ASP QB 1 43 LYS HE3 . . 4.890 3.877 2.316 5.022 0.132 18 0 "[ . 1 . 2]" 1
790 1 37 GLU H 1 37 GLU HB2 . . 3.090 2.445 2.303 2.588 . 0 0 "[ . 1 . 2]" 1
791 1 37 GLU H 1 37 GLU HB3 . . 3.070 2.336 2.117 2.598 . 0 0 "[ . 1 . 2]" 1
792 1 37 GLU H 1 38 ALA H . . 3.230 2.753 2.585 2.900 . 0 0 "[ . 1 . 2]" 1
793 1 37 GLU H 1 38 ALA MB . . 4.450 4.409 4.145 4.523 0.073 5 0 "[ . 1 . 2]" 1
794 1 37 GLU H 1 39 GLN H . . 4.380 4.294 4.116 4.452 0.072 17 0 "[ . 1 . 2]" 1
795 1 37 GLU H 1 41 CYS H . . 5.310 5.230 5.107 5.366 0.056 19 0 "[ . 1 . 2]" 1
796 1 37 GLU HA 1 37 GLU QG . . 3.180 2.563 2.337 2.734 . 0 0 "[ . 1 . 2]" 1
797 1 37 GLU HA 1 40 SER H . . 3.910 3.164 2.921 3.386 . 0 0 "[ . 1 . 2]" 1
798 1 37 GLU HA 1 40 SER HA . . 4.040 2.946 2.657 3.272 . 0 0 "[ . 1 . 2]" 1
799 1 37 GLU HA 1 41 CYS H . . 4.780 4.398 4.172 4.661 . 0 0 "[ . 1 . 2]" 1
800 1 37 GLU HB2 1 37 GLU QG . . 2.790 2.402 2.328 2.511 . 0 0 "[ . 1 . 2]" 1
801 1 37 GLU HB2 1 38 ALA H . . 4.070 4.085 3.977 4.140 0.070 11 0 "[ . 1 . 2]" 1
802 1 37 GLU HB3 1 37 GLU QG . . 2.670 2.357 2.251 2.440 . 0 0 "[ . 1 . 2]" 1
803 1 37 GLU HB3 1 38 ALA H . . 3.510 2.926 2.766 3.089 . 0 0 "[ . 1 . 2]" 1
804 1 37 GLU HB3 1 38 ALA HA . . 5.040 4.572 4.408 4.793 . 0 0 "[ . 1 . 2]" 1
805 1 37 GLU QG 1 38 ALA H . . 4.310 3.779 3.418 4.066 . 0 0 "[ . 1 . 2]" 1
806 1 37 GLU QG 1 38 ALA HA . . 3.940 3.812 3.463 4.022 0.082 1 0 "[ . 1 . 2]" 1
807 1 38 ALA H 1 38 ALA MB . . 2.660 2.235 2.131 2.318 . 0 0 "[ . 1 . 2]" 1
808 1 38 ALA H 1 39 GLN H . . 2.930 2.570 2.465 2.642 . 0 0 "[ . 1 . 2]" 1
809 1 38 ALA H 1 39 GLN HA . . 5.200 5.256 5.185 5.280 0.080 18 0 "[ . 1 . 2]" 1
810 1 38 ALA H 1 40 SER H . . 4.200 3.717 3.507 3.925 . 0 0 "[ . 1 . 2]" 1
811 1 38 ALA H 1 40 SER HA . . 5.500 5.215 4.906 5.485 . 0 0 "[ . 1 . 2]" 1
812 1 38 ALA H 1 41 CYS H . . 5.330 5.353 5.112 5.413 0.083 10 0 "[ . 1 . 2]" 1
813 1 38 ALA MB 1 39 GLN H . . 3.020 2.757 2.380 3.113 0.093 9 0 "[ . 1 . 2]" 1
814 1 38 ALA MB 1 39 GLN HE21 . . 4.450 3.655 2.431 4.523 0.073 1 0 "[ . 1 . 2]" 1
815 1 38 ALA MB 1 39 GLN HE22 . . 5.500 4.883 2.341 5.595 0.095 1 0 "[ . 1 . 2]" 1
816 1 38 ALA MB 1 39 GLN QG . . 4.360 2.882 2.353 4.010 . 0 0 "[ . 1 . 2]" 1
817 1 38 ALA MB 1 40 SER H . . 4.390 4.314 4.105 4.492 0.102 15 0 "[ . 1 . 2]" 1
818 1 39 GLN H 1 39 GLN HB2 . . 3.350 2.520 2.082 2.790 . 0 0 "[ . 1 . 2]" 1
819 1 39 GLN H 1 39 GLN HB3 . . 3.770 3.675 3.394 3.842 0.072 9 0 "[ . 1 . 2]" 1
820 1 39 GLN H 1 39 GLN QG . . 3.450 2.798 2.192 3.407 . 0 0 "[ . 1 . 2]" 1
821 1 39 GLN H 1 40 SER HA . . 4.200 4.123 3.770 4.278 0.078 4 0 "[ . 1 . 2]" 1
822 1 39 GLN H 1 41 CYS H . . 4.520 3.621 3.342 3.943 . 0 0 "[ . 1 . 2]" 1
823 1 39 GLN HA 1 39 GLN HE21 . . 5.080 4.841 3.375 5.159 0.079 2 0 "[ . 1 . 2]" 1
824 1 39 GLN HA 1 39 GLN QG . . 2.890 2.423 2.260 2.801 . 0 0 "[ . 1 . 2]" 1
825 1 39 GLN HA 1 41 CYS H . . 4.970 4.731 4.442 5.000 0.030 18 0 "[ . 1 . 2]" 1
826 1 39 GLN HB2 1 39 GLN HE21 . . 3.960 3.476 3.013 4.056 0.096 1 0 "[ . 1 . 2]" 1
827 1 39 GLN HB2 1 39 GLN HE22 . . 4.540 4.291 3.961 4.628 0.088 5 0 "[ . 1 . 2]" 1
828 1 39 GLN HB2 1 40 SER H . . 4.190 3.476 3.236 3.747 . 0 0 "[ . 1 . 2]" 1
829 1 39 GLN HB2 1 40 SER HA . . 5.290 4.986 4.665 5.228 . 0 0 "[ . 1 . 2]" 1
830 1 39 GLN HB2 1 41 CYS H . . 4.510 3.084 2.691 3.437 . 0 0 "[ . 1 . 2]" 1
831 1 39 GLN HB3 1 39 GLN HE22 . . 4.770 4.587 4.216 4.874 0.104 17 0 "[ . 1 . 2]" 1
832 1 39 GLN HB3 1 41 CYS H . . 4.540 3.965 3.497 4.466 . 0 0 "[ . 1 . 2]" 1
833 1 39 GLN QG 1 40 SER H . . 5.500 4.360 4.034 4.927 . 0 0 "[ . 1 . 2]" 1
834 1 39 GLN QG 1 41 CYS H . . 5.340 4.892 4.406 5.032 . 0 0 "[ . 1 . 2]" 1
835 1 40 SER H 1 40 SER HA . . 2.880 2.148 2.106 2.196 . 0 0 "[ . 1 . 2]" 1
836 1 40 SER H 1 40 SER HB2 . . 3.870 3.703 2.991 3.955 0.085 5 0 "[ . 1 . 2]" 1
837 1 40 SER H 1 40 SER HB3 . . 3.690 3.484 2.892 3.951 0.261 11 0 "[ . 1 . 2]" 1
838 1 40 SER H 1 41 CYS H . . 3.370 2.786 2.612 3.002 . 0 0 "[ . 1 . 2]" 1
839 1 40 SER HA 1 41 CYS H . . 3.260 2.746 2.578 2.868 . 0 0 "[ . 1 . 2]" 1
840 1 40 SER HB2 1 41 CYS H . . 4.520 4.495 4.310 4.596 0.076 6 0 "[ . 1 . 2]" 1
841 1 40 SER HB3 1 41 CYS H . . 4.690 4.589 4.389 4.747 0.057 16 0 "[ . 1 . 2]" 1
842 1 41 CYS H 1 42 TRP H . . 4.880 4.357 4.286 4.433 . 0 0 "[ . 1 . 2]" 1
843 1 41 CYS HA 1 42 TRP H . . 3.010 2.390 2.223 2.757 . 0 0 "[ . 1 . 2]" 1
844 1 41 CYS HA 1 42 TRP HD1 . . 4.540 4.165 3.698 4.409 . 0 0 "[ . 1 . 2]" 1
845 1 41 CYS HA 1 42 TRP HE1 . . 5.300 5.115 4.488 5.374 0.074 6 0 "[ . 1 . 2]" 1
846 1 41 CYS HB2 1 42 TRP H . . 3.380 3.404 2.198 3.731 0.351 4 0 "[ . 1 . 2]" 1
847 1 41 CYS HB3 1 42 TRP H . . 3.650 2.685 2.050 3.706 0.056 16 0 "[ . 1 . 2]" 1
848 1 42 TRP H 1 42 TRP HB2 . . 3.480 2.381 2.160 2.471 . 0 0 "[ . 1 . 2]" 1
849 1 42 TRP H 1 42 TRP HD1 . . 3.700 2.826 2.539 3.111 . 0 0 "[ . 1 . 2]" 1
850 1 42 TRP H 1 42 TRP HE1 . . 5.020 4.647 4.229 5.094 0.074 17 0 "[ . 1 . 2]" 1
851 1 42 TRP H 1 43 LYS H . . 4.680 4.559 4.353 4.708 0.028 14 0 "[ . 1 . 2]" 1
852 1 42 TRP H 1 44 THR MG . . 5.500 5.299 4.760 5.597 0.097 19 0 "[ . 1 . 2]" 1
853 1 42 TRP HA 1 42 TRP HE3 . . 3.790 2.592 2.337 2.925 . 0 0 "[ . 1 . 2]" 1
854 1 42 TRP HA 1 43 LYS H . . 3.150 2.319 2.165 2.421 . 0 0 "[ . 1 . 2]" 1
855 1 42 TRP HB2 1 42 TRP HD1 . . 3.810 2.624 2.516 2.699 . 0 0 "[ . 1 . 2]" 1
856 1 42 TRP HB2 1 43 LYS H . . 4.620 4.315 3.721 4.587 . 0 0 "[ . 1 . 2]" 1
857 1 42 TRP HB3 1 42 TRP HE3 . . 4.120 2.816 2.670 2.976 . 0 0 "[ . 1 . 2]" 1
858 1 42 TRP HB3 1 43 LYS H . . 4.420 3.484 2.676 3.908 . 0 0 "[ . 1 . 2]" 1
859 1 42 TRP HB3 1 44 THR MG . . 3.830 3.768 3.001 3.945 0.115 3 0 "[ . 1 . 2]" 1
860 1 42 TRP HD1 1 57 GLU HA . . 4.630 3.089 2.706 3.508 . 0 0 "[ . 1 . 2]" 1
861 1 42 TRP HD1 1 57 GLU HG2 . . 3.530 3.444 2.940 3.733 0.203 18 0 "[ . 1 . 2]" 1
862 1 42 TRP HD1 1 57 GLU QG . . 3.820 3.280 2.256 3.545 . 0 0 "[ . 1 . 2]" 1
863 1 42 TRP HD1 1 58 PRO HD3 . . 3.840 3.351 2.379 3.896 0.056 14 0 "[ . 1 . 2]" 1
864 1 42 TRP HE1 1 57 GLU HB3 . . 5.260 4.941 4.449 5.325 0.065 6 0 "[ . 1 . 2]" 1
865 1 42 TRP HE1 1 57 GLU HG2 . . 4.930 3.437 2.173 4.472 . 0 0 "[ . 1 . 2]" 1
866 1 42 TRP HE1 1 57 GLU QG . . 4.910 3.370 2.151 4.336 . 0 0 "[ . 1 . 2]" 1
867 1 42 TRP HE1 1 58 PRO HD2 . . 5.230 3.342 2.924 4.355 . 0 0 "[ . 1 . 2]" 1
868 1 42 TRP HE1 1 58 PRO HD3 . . 4.220 3.218 2.710 3.925 . 0 0 "[ . 1 . 2]" 1
869 1 42 TRP HE1 1 58 PRO HG2 . . 5.250 4.672 4.171 5.315 0.065 14 0 "[ . 1 . 2]" 1
870 1 42 TRP HE1 1 58 PRO HG3 . . 5.330 3.929 2.921 4.915 . 0 0 "[ . 1 . 2]" 1
871 1 42 TRP HE3 1 43 LYS H . . 4.120 3.827 3.367 4.190 0.070 15 0 "[ . 1 . 2]" 1
872 1 42 TRP HE3 1 58 PRO HG3 . . 4.960 4.691 3.594 5.037 0.077 11 0 "[ . 1 . 2]" 1
873 1 42 TRP HH2 1 58 PRO HG3 . . 4.940 3.732 3.032 4.578 . 0 0 "[ . 1 . 2]" 1
874 1 42 TRP HZ2 1 58 PRO HG2 . . 4.830 4.154 3.501 4.603 . 0 0 "[ . 1 . 2]" 1
875 1 42 TRP HZ2 1 58 PRO HG3 . . 4.820 3.086 2.609 4.049 . 0 0 "[ . 1 . 2]" 1
876 1 43 LYS H 1 43 LYS QB . . 3.750 2.181 1.782 2.764 . 0 0 "[ . 1 . 2]" 1
877 1 43 LYS H 1 43 LYS QD . . 4.670 4.327 2.123 4.715 0.045 10 0 "[ . 1 . 2]" 1
878 1 43 LYS H 1 43 LYS HE2 . . 5.060 4.476 3.687 5.422 0.362 7 0 "[ . 1 . 2]" 1
879 1 43 LYS H 1 43 LYS QG . . 3.900 2.899 2.332 3.558 . 0 0 "[ . 1 . 2]" 1
880 1 43 LYS H 1 44 THR H . . 4.770 4.445 2.516 4.673 . 0 0 "[ . 1 . 2]" 1
881 1 43 LYS HA 1 43 LYS QD . . 3.870 3.859 3.537 3.965 0.095 1 0 "[ . 1 . 2]" 1
882 1 43 LYS HA 1 43 LYS HE2 . . 4.880 4.849 4.321 5.464 0.584 15 2 "[ -. 1 + 2]" 1
883 1 43 LYS HA 1 43 LYS HE3 . . 5.380 4.921 4.544 5.478 0.098 12 0 "[ . 1 . 2]" 1
884 1 43 LYS HA 1 43 LYS QG . . 3.790 2.170 2.045 2.522 . 0 0 "[ . 1 . 2]" 1
885 1 43 LYS HA 1 44 THR H . . 3.060 2.325 2.077 3.139 0.079 15 0 "[ . 1 . 2]" 1
886 1 43 LYS HA 1 45 ASP H . . 3.890 3.773 3.422 3.976 0.086 15 0 "[ . 1 . 2]" 1
887 1 43 LYS QB 1 43 LYS HE3 . . 4.760 2.565 2.058 4.286 . 0 0 "[ . 1 . 2]" 1
888 1 43 LYS QB 1 44 THR H . . 3.830 2.928 2.396 3.695 . 0 0 "[ . 1 . 2]" 1
889 1 43 LYS QB 1 45 ASP H . . 3.710 2.767 2.020 3.779 0.069 6 0 "[ . 1 . 2]" 1
890 1 43 LYS QD 1 44 THR H . . 4.470 4.312 3.600 4.575 0.105 7 0 "[ . 1 . 2]" 1
891 1 43 LYS QD 1 45 ASP H . . 5.300 3.739 2.795 4.618 . 0 0 "[ . 1 . 2]" 1
892 1 43 LYS QG 1 44 THR H . . 4.640 3.245 2.045 4.018 . 0 0 "[ . 1 . 2]" 1
893 1 43 LYS QG 1 45 ASP H . . 5.200 3.565 2.131 4.589 . 0 0 "[ . 1 . 2]" 1
894 1 43 LYS QG 1 45 ASP QB . . 4.990 3.917 2.868 4.662 . 0 0 "[ . 1 . 2]" 1
895 1 44 THR H 1 44 THR MG . . 3.510 3.239 2.940 3.597 0.087 9 0 "[ . 1 . 2]" 1
896 1 44 THR H 1 45 ASP H . . 2.930 2.140 1.768 2.593 . 0 0 "[ . 1 . 2]" 1
897 1 44 THR H 1 45 ASP HA . . 4.850 4.402 4.079 4.939 0.089 15 0 "[ . 1 . 2]" 1
898 1 44 THR H 1 45 ASP QB . . 5.470 3.973 3.585 4.386 . 0 0 "[ . 1 . 2]" 1
899 1 44 THR H 1 47 VAL QG . . 5.380 4.232 3.835 4.527 . 0 0 "[ . 1 . 2]" 1
900 1 44 THR HA 1 44 THR MG . . 3.600 2.280 2.150 2.549 . 0 0 "[ . 1 . 2]" 1
901 1 44 THR HA 1 45 ASP H . . 3.510 3.162 2.517 3.364 . 0 0 "[ . 1 . 2]" 1
902 1 44 THR HA 1 46 LEU H . . 4.460 3.874 3.169 4.341 . 0 0 "[ . 1 . 2]" 1
903 1 44 THR HA 1 47 VAL H . . 4.240 3.659 2.998 4.205 . 0 0 "[ . 1 . 2]" 1
904 1 44 THR HA 1 47 VAL HB . . 4.080 3.623 2.484 4.179 0.099 13 0 "[ . 1 . 2]" 1
905 1 44 THR HA 1 47 VAL QG . . 3.110 2.027 1.878 2.368 . 0 0 "[ . 1 . 2]" 1
906 1 44 THR HB 1 52 ARG HA . . 4.280 4.258 3.841 4.372 0.092 18 0 "[ . 1 . 2]" 1
907 1 44 THR HB 1 52 ARG HB3 . . 4.040 2.657 2.123 3.020 . 0 0 "[ . 1 . 2]" 1
908 1 44 THR HB 1 52 ARG HD2 . . 3.900 2.174 1.884 2.550 . 0 0 "[ . 1 . 2]" 1
909 1 44 THR HB 1 52 ARG HD3 . . 3.850 3.587 3.155 3.954 0.104 14 0 "[ . 1 . 2]" 1
910 1 44 THR HB 1 52 ARG HG3 . . 4.630 3.616 2.842 4.483 . 0 0 "[ . 1 . 2]" 1
911 1 44 THR MG 1 45 ASP H . . 5.210 4.453 4.279 4.601 . 0 0 "[ . 1 . 2]" 1
912 1 44 THR MG 1 47 VAL QG . . 3.880 2.606 2.146 3.081 . 0 0 "[ . 1 . 2]" 1
913 1 44 THR MG 1 52 ARG HA . . 4.000 3.342 2.795 3.765 . 0 0 "[ . 1 . 2]" 1
914 1 44 THR MG 1 52 ARG HB3 . . 4.620 2.858 2.334 3.441 . 0 0 "[ . 1 . 2]" 1
915 1 44 THR MG 1 52 ARG HD2 . . 4.350 3.640 3.200 4.147 . 0 0 "[ . 1 . 2]" 1
916 1 44 THR MG 1 52 ARG HD3 . . 4.950 4.597 4.045 5.026 0.076 3 0 "[ . 1 . 2]" 1
917 1 45 ASP H 1 45 ASP QB . . 3.230 2.224 1.967 2.449 . 0 0 "[ . 1 . 2]" 1
918 1 45 ASP H 1 46 LEU H . . 3.400 2.507 2.154 2.616 . 0 0 "[ . 1 . 2]" 1
919 1 45 ASP H 1 46 LEU HA . . 5.060 5.117 4.881 5.152 0.092 1 0 "[ . 1 . 2]" 1
920 1 45 ASP H 1 47 VAL H . . 4.350 4.041 3.326 4.409 0.059 11 0 "[ . 1 . 2]" 1
921 1 45 ASP H 1 47 VAL QG . . 4.630 3.818 2.790 4.220 . 0 0 "[ . 1 . 2]" 1
922 1 45 ASP HA 1 46 LEU HA . . 4.750 4.642 4.541 4.732 . 0 0 "[ . 1 . 2]" 1
923 1 45 ASP HA 1 47 VAL H . . 4.160 3.932 3.639 4.218 0.058 10 0 "[ . 1 . 2]" 1
924 1 45 ASP QB 1 46 LEU H . . 3.710 2.551 2.266 2.744 . 0 0 "[ . 1 . 2]" 1
925 1 45 ASP QB 1 46 LEU HA . . 4.420 3.698 3.511 3.888 . 0 0 "[ . 1 . 2]" 1
926 1 45 ASP QB 1 46 LEU QD . . 3.970 2.784 1.988 3.373 . 0 0 "[ . 1 . 2]" 1
927 1 45 ASP QB 1 46 LEU HG . . 4.200 2.990 2.508 3.748 . 0 0 "[ . 1 . 2]" 1
928 1 45 ASP QB 1 47 VAL H . . 4.800 4.374 4.233 4.510 . 0 0 "[ . 1 . 2]" 1
929 1 46 LEU H 1 46 LEU HB2 . . 4.040 2.466 2.159 2.846 . 0 0 "[ . 1 . 2]" 1
930 1 46 LEU H 1 46 LEU HB3 . . 3.600 3.609 3.470 3.707 0.107 19 0 "[ . 1 . 2]" 1
931 1 46 LEU H 1 46 LEU QD . . 3.590 2.912 1.861 3.404 . 0 0 "[ . 1 . 2]" 1
932 1 46 LEU H 1 46 LEU HG . . 3.460 2.834 2.103 3.518 0.058 5 0 "[ . 1 . 2]" 1
933 1 46 LEU H 1 47 VAL H . . 3.210 2.662 2.485 2.980 . 0 0 "[ . 1 . 2]" 1
934 1 46 LEU H 1 47 VAL HB . . 4.660 4.709 4.634 4.740 0.080 7 0 "[ . 1 . 2]" 1
935 1 46 LEU H 1 47 VAL QG . . 4.120 3.229 3.020 3.560 . 0 0 "[ . 1 . 2]" 1
936 1 46 LEU HA 1 46 LEU QD . . 3.750 2.390 2.021 3.215 . 0 0 "[ . 1 . 2]" 1
937 1 46 LEU HA 1 46 LEU HG . . 3.390 2.933 2.219 3.282 . 0 0 "[ . 1 . 2]" 1
938 1 46 LEU HB2 1 46 LEU QD . . 2.960 2.250 2.096 2.350 . 0 0 "[ . 1 . 2]" 1
939 1 46 LEU HB2 1 47 VAL H . . 4.590 3.793 3.512 4.078 . 0 0 "[ . 1 . 2]" 1
940 1 46 LEU HB3 1 46 LEU QD . . 2.950 2.126 2.095 2.190 . 0 0 "[ . 1 . 2]" 1
941 1 46 LEU HG 1 47 VAL H . . 5.410 4.962 4.493 5.233 . 0 0 "[ . 1 . 2]" 1
942 1 47 VAL H 1 47 VAL HB . . 3.180 2.903 2.390 3.252 0.072 1 0 "[ . 1 . 2]" 1
943 1 47 VAL H 1 47 VAL QG . . 3.230 2.263 1.871 2.582 . 0 0 "[ . 1 . 2]" 1
944 1 47 VAL H 1 48 ALA H . . 4.510 4.540 4.435 4.592 0.082 15 0 "[ . 1 . 2]" 1
945 1 47 VAL H 1 52 ARG HD2 . . 4.980 4.097 3.405 5.059 0.079 12 0 "[ . 1 . 2]" 1
946 1 47 VAL H 1 52 ARG HD3 . . 5.010 3.968 3.322 5.003 . 0 0 "[ . 1 . 2]" 1
947 1 47 VAL HA 1 47 VAL QG . . 3.170 2.349 2.153 2.514 . 0 0 "[ . 1 . 2]" 1
948 1 47 VAL HA 1 48 ALA H . . 2.910 2.309 2.237 2.402 . 0 0 "[ . 1 . 2]" 1
949 1 47 VAL HA 1 48 ALA HA . . 5.160 4.342 4.220 4.459 . 0 0 "[ . 1 . 2]" 1
950 1 47 VAL HA 1 48 ALA MB . . 4.220 4.039 3.954 4.129 . 0 0 "[ . 1 . 2]" 1
951 1 47 VAL HB 1 48 ALA H . . 4.750 3.851 3.613 4.011 . 0 0 "[ . 1 . 2]" 1
952 1 47 VAL HB 1 52 ARG HD2 . . 4.590 4.359 3.287 4.834 0.244 15 0 "[ . 1 . 2]" 1
953 1 47 VAL HB 1 52 ARG HD3 . . 4.740 4.064 2.470 4.831 0.091 6 0 "[ . 1 . 2]" 1
954 1 47 VAL QG 1 48 ALA H . . 3.330 2.220 1.965 2.371 . 0 0 "[ . 1 . 2]" 1
955 1 47 VAL QG 1 48 ALA MB . . 4.090 3.231 3.071 3.390 . 0 0 "[ . 1 . 2]" 1
956 1 47 VAL QG 1 49 PRO HA . . 5.500 4.451 4.154 4.815 . 0 0 "[ . 1 . 2]" 1
957 1 47 VAL QG 1 50 GLU H . . 5.500 5.203 4.915 5.360 . 0 0 "[ . 1 . 2]" 1
958 1 47 VAL QG 1 51 TRP H . . 3.880 3.456 3.168 3.728 . 0 0 "[ . 1 . 2]" 1
959 1 47 VAL QG 1 51 TRP HB2 . . 3.430 2.178 2.040 2.328 . 0 0 "[ . 1 . 2]" 1
960 1 47 VAL QG 1 51 TRP HB3 . . 3.600 2.418 2.193 2.709 . 0 0 "[ . 1 . 2]" 1
961 1 47 VAL QG 1 51 TRP HD1 . . 3.890 3.878 3.423 3.961 0.071 3 0 "[ . 1 . 2]" 1
962 1 47 VAL QG 1 52 ARG H . . 3.500 2.593 2.224 3.115 . 0 0 "[ . 1 . 2]" 1
963 1 47 VAL QG 1 52 ARG HA . . 3.730 3.379 2.995 3.523 . 0 0 "[ . 1 . 2]" 1
964 1 47 VAL QG 1 52 ARG HB2 . . 4.570 3.454 3.111 3.886 . 0 0 "[ . 1 . 2]" 1
965 1 47 VAL QG 1 52 ARG HB3 . . 4.110 2.264 2.027 2.704 . 0 0 "[ . 1 . 2]" 1
966 1 47 VAL QG 1 52 ARG HD2 . . 4.790 2.843 1.856 4.340 . 0 0 "[ . 1 . 2]" 1
967 1 47 VAL QG 1 52 ARG HD3 . . 5.270 2.804 2.038 4.608 . 0 0 "[ . 1 . 2]" 1
968 1 48 ALA H 1 48 ALA MB . . 2.760 2.208 2.166 2.250 . 0 0 "[ . 1 . 2]" 1
969 1 48 ALA H 1 51 TRP H . . 5.350 4.403 4.003 4.598 . 0 0 "[ . 1 . 2]" 1
970 1 48 ALA H 1 51 TRP HB2 . . 4.830 3.283 2.778 3.630 . 0 0 "[ . 1 . 2]" 1
971 1 48 ALA H 1 51 TRP HD1 . . 4.240 4.058 3.681 4.305 0.065 15 0 "[ . 1 . 2]" 1
972 1 48 ALA HA 1 49 PRO HB3 . . 5.090 4.972 4.849 5.148 0.058 10 0 "[ . 1 . 2]" 1
973 1 48 ALA HA 1 49 PRO HD2 . . 3.370 2.507 2.304 2.655 . 0 0 "[ . 1 . 2]" 1
974 1 48 ALA HA 1 49 PRO HD3 . . 2.990 2.438 2.270 2.565 . 0 0 "[ . 1 . 2]" 1
975 1 48 ALA HA 1 49 PRO HG2 . . 4.780 4.643 4.498 4.739 . 0 0 "[ . 1 . 2]" 1
976 1 48 ALA HA 1 49 PRO HG3 . . 4.750 4.648 4.547 4.761 0.011 10 0 "[ . 1 . 2]" 1
977 1 48 ALA HA 1 50 GLU H . . 4.800 4.362 4.095 4.740 . 0 0 "[ . 1 . 2]" 1
978 1 48 ALA MB 1 49 PRO HD2 . . 4.190 2.206 2.009 2.442 . 0 0 "[ . 1 . 2]" 1
979 1 48 ALA MB 1 49 PRO HD3 . . 3.210 3.403 3.286 3.655 0.445 19 0 "[ . 1 . 2]" 1
980 1 48 ALA MB 1 49 PRO HG2 . . 5.180 3.900 3.666 4.184 . 0 0 "[ . 1 . 2]" 1
981 1 48 ALA MB 1 50 GLU HG3 . . 3.710 3.435 2.913 3.833 0.123 5 0 "[ . 1 . 2]" 1
982 1 48 ALA MB 1 51 TRP H . . 3.640 2.939 2.445 3.296 . 0 0 "[ . 1 . 2]" 1
983 1 48 ALA MB 1 51 TRP HB2 . . 4.110 2.876 2.550 3.170 . 0 0 "[ . 1 . 2]" 1
984 1 48 ALA MB 1 51 TRP HB3 . . 4.990 4.429 4.117 4.709 . 0 0 "[ . 1 . 2]" 1
985 1 48 ALA MB 1 51 TRP HD1 . . 3.020 2.399 2.026 2.626 . 0 0 "[ . 1 . 2]" 1
986 1 48 ALA MB 1 51 TRP HE1 . . 4.610 4.425 4.042 4.694 0.084 12 0 "[ . 1 . 2]" 1
987 1 48 ALA MB 1 52 ARG H . . 4.730 4.330 4.171 4.588 . 0 0 "[ . 1 . 2]" 1
988 1 49 PRO HA 1 52 ARG H . . 4.180 3.534 3.257 3.758 . 0 0 "[ . 1 . 2]" 1
989 1 49 PRO HA 1 52 ARG HD2 . . 4.810 4.301 3.819 4.869 0.059 17 0 "[ . 1 . 2]" 1
990 1 49 PRO HA 1 52 ARG HD3 . . 4.750 3.220 2.574 3.858 . 0 0 "[ . 1 . 2]" 1
991 1 49 PRO HA 1 52 ARG HE . . 5.500 2.938 2.322 3.965 . 0 0 "[ . 1 . 2]" 1
992 1 49 PRO HA 1 52 ARG HG2 . . 3.700 2.314 2.031 3.221 . 0 0 "[ . 1 . 2]" 1
993 1 49 PRO HA 1 52 ARG HG3 . . 3.980 3.164 2.044 3.608 . 0 0 "[ . 1 . 2]" 1
994 1 49 PRO HA 1 53 GLN H . . 4.360 4.080 3.752 4.427 0.067 4 0 "[ . 1 . 2]" 1
995 1 49 PRO HA 1 53 GLN QG . . 4.200 4.243 4.098 4.295 0.095 3 0 "[ . 1 . 2]" 1
996 1 49 PRO HB2 1 50 GLU H . . 3.740 3.416 2.973 3.818 0.078 7 0 "[ . 1 . 2]" 1
997 1 49 PRO HD2 1 50 GLU H . . 4.850 2.842 2.613 3.062 . 0 0 "[ . 1 . 2]" 1
998 1 49 PRO HD3 1 50 GLU H . . 4.650 3.994 3.844 4.117 . 0 0 "[ . 1 . 2]" 1
999 1 49 PRO HG2 1 50 GLU H . . 4.030 2.502 2.265 2.988 . 0 0 "[ . 1 . 2]" 1
1000 1 49 PRO HG3 1 50 GLU H . . 4.490 4.053 3.862 4.435 . 0 0 "[ . 1 . 2]" 1
1001 1 50 GLU H 1 50 GLU QB . . 2.970 2.396 2.249 2.553 . 0 0 "[ . 1 . 2]" 1
1002 1 50 GLU H 1 50 GLU HG2 . . 3.560 2.379 2.089 2.640 . 0 0 "[ . 1 . 2]" 1
1003 1 50 GLU H 1 50 GLU HG3 . . 3.470 3.550 3.358 3.642 0.172 8 0 "[ . 1 . 2]" 1
1004 1 50 GLU H 1 51 TRP H . . 3.370 2.792 2.645 2.932 . 0 0 "[ . 1 . 2]" 1
1005 1 50 GLU H 1 51 TRP HB2 . . 5.230 4.801 4.499 5.041 . 0 0 "[ . 1 . 2]" 1
1006 1 50 GLU H 1 51 TRP HD1 . . 5.160 4.791 4.494 5.198 0.038 18 0 "[ . 1 . 2]" 1
1007 1 50 GLU H 1 52 ARG H . . 4.640 4.589 4.183 4.706 0.066 15 0 "[ . 1 . 2]" 1
1008 1 50 GLU HA 1 50 GLU QB . . 2.690 2.155 2.119 2.178 . 0 0 "[ . 1 . 2]" 1
1009 1 50 GLU HA 1 53 GLN HE21 . . 4.820 3.511 2.163 4.900 0.080 5 0 "[ . 1 . 2]" 1
1010 1 50 GLU HA 1 53 GLN HE22 . . 5.280 3.345 2.404 4.346 . 0 0 "[ . 1 . 2]" 1
1011 1 50 GLU QB 1 50 GLU HG2 . . 2.600 2.412 2.323 2.548 . 0 0 "[ . 1 . 2]" 1
1012 1 50 GLU QB 1 50 GLU HG3 . . 2.690 2.355 2.133 2.453 . 0 0 "[ . 1 . 2]" 1
1013 1 50 GLU QB 1 51 TRP H . . 4.480 3.743 3.600 3.956 . 0 0 "[ . 1 . 2]" 1
1014 1 50 GLU HG2 1 51 TRP H . . 4.080 2.987 2.455 3.486 . 0 0 "[ . 1 . 2]" 1
1015 1 50 GLU HG2 1 51 TRP HD1 . . 3.760 3.015 2.657 3.299 . 0 0 "[ . 1 . 2]" 1
1016 1 50 GLU HG2 1 51 TRP HE1 . . 4.730 4.731 4.169 5.018 0.288 6 0 "[ . 1 . 2]" 1
1017 1 50 GLU HG3 1 51 TRP H . . 3.920 3.144 2.657 4.129 0.209 8 0 "[ . 1 . 2]" 1
1018 1 50 GLU HG3 1 51 TRP HA . . 4.880 3.829 3.311 4.992 0.112 8 0 "[ . 1 . 2]" 1
1019 1 50 GLU HG3 1 51 TRP HD1 . . 4.090 2.723 2.245 3.711 . 0 0 "[ . 1 . 2]" 1
1020 1 50 GLU HG3 1 51 TRP HE1 . . 4.940 3.875 3.401 4.350 . 0 0 "[ . 1 . 2]" 1
1021 1 50 GLU HG3 1 70 LYS QE . . 4.850 3.461 2.110 4.557 . 0 0 "[ . 1 . 2]" 1
1022 1 51 TRP H 1 51 TRP HB2 . . 3.530 2.315 2.192 2.565 . 0 0 "[ . 1 . 2]" 1
1023 1 51 TRP H 1 51 TRP HB3 . . 3.790 3.547 3.464 3.669 . 0 0 "[ . 1 . 2]" 1
1024 1 51 TRP H 1 51 TRP HD1 . . 3.750 3.366 2.917 3.779 0.029 14 0 "[ . 1 . 2]" 1
1025 1 51 TRP H 1 52 ARG H . . 3.080 2.418 2.184 2.574 . 0 0 "[ . 1 . 2]" 1
1026 1 51 TRP H 1 52 ARG HA . . 5.070 5.053 4.822 5.140 0.070 4 0 "[ . 1 . 2]" 1
1027 1 51 TRP H 1 52 ARG HG2 . . 4.800 3.990 3.511 4.710 . 0 0 "[ . 1 . 2]" 1
1028 1 51 TRP H 1 70 LYS QE . . 5.050 4.135 3.797 4.398 . 0 0 "[ . 1 . 2]" 1
1029 1 51 TRP HA 1 51 TRP HD1 . . 4.380 3.961 3.761 4.299 . 0 0 "[ . 1 . 2]" 1
1030 1 51 TRP HA 1 51 TRP HE3 . . 3.960 3.246 2.722 3.694 . 0 0 "[ . 1 . 2]" 1
1031 1 51 TRP HA 1 55 TYR HB2 . . 5.240 4.713 4.135 5.003 . 0 0 "[ . 1 . 2]" 1
1032 1 51 TRP HA 1 55 TYR QD . . 4.740 4.485 3.793 4.817 0.077 8 0 "[ . 1 . 2]" 1
1033 1 51 TRP HA 1 70 LYS HD2 . . 5.040 4.521 3.914 4.943 . 0 0 "[ . 1 . 2]" 1
1034 1 51 TRP HA 1 70 LYS QE . . 3.860 2.118 1.828 2.773 . 0 0 "[ . 1 . 2]" 1
1035 1 51 TRP HB2 1 51 TRP HD1 . . 3.880 2.609 2.491 2.687 . 0 0 "[ . 1 . 2]" 1
1036 1 51 TRP HB2 1 52 ARG H . . 3.940 2.835 2.426 3.602 . 0 0 "[ . 1 . 2]" 1
1037 1 51 TRP HB3 1 51 TRP HE3 . . 3.920 2.706 2.594 2.909 . 0 0 "[ . 1 . 2]" 1
1038 1 51 TRP HB3 1 52 ARG H . . 4.170 3.279 2.824 4.174 0.004 10 0 "[ . 1 . 2]" 1
1039 1 51 TRP HD1 1 52 ARG H . . 5.500 5.116 4.808 5.565 0.065 8 0 "[ . 1 . 2]" 1
1040 1 51 TRP HE1 1 71 LEU QD . . 5.500 5.006 4.776 5.428 . 0 0 "[ . 1 . 2]" 1
1041 1 51 TRP HE1 1 74 SER QB . . 5.470 4.362 3.644 4.744 . 0 0 "[ . 1 . 2]" 1
1042 1 51 TRP HE3 1 55 TYR HB2 . . 5.200 4.822 3.945 5.258 0.058 12 0 "[ . 1 . 2]" 1
1043 1 51 TRP HE3 1 55 TYR QD . . 3.560 3.622 3.447 3.664 0.104 17 0 "[ . 1 . 2]" 1
1044 1 51 TRP HE3 1 59 PRO QG . . 5.500 4.013 3.245 4.618 . 0 0 "[ . 1 . 2]" 1
1045 1 51 TRP HE3 1 70 LYS HD3 . . 4.420 3.205 2.815 3.727 . 0 0 "[ . 1 . 2]" 1
1046 1 51 TRP HH2 1 70 LYS HG2 . . 4.550 3.753 3.189 4.396 . 0 0 "[ . 1 . 2]" 1
1047 1 51 TRP HH2 1 71 LEU H . . 3.860 3.110 2.708 3.671 . 0 0 "[ . 1 . 2]" 1
1048 1 51 TRP HH2 1 71 LEU HA . . 4.070 3.386 2.902 4.120 0.050 3 0 "[ . 1 . 2]" 1
1049 1 51 TRP HH2 1 71 LEU QD . . 3.540 2.316 1.981 2.964 . 0 0 "[ . 1 . 2]" 1
1050 1 51 TRP HZ2 1 70 LYS HG3 . . 4.590 4.668 4.574 4.886 0.296 18 0 "[ . 1 . 2]" 1
1051 1 51 TRP HZ2 1 71 LEU H . . 4.620 3.883 3.545 4.452 . 0 0 "[ . 1 . 2]" 1
1052 1 51 TRP HZ2 1 71 LEU HA . . 3.500 2.568 2.305 2.993 . 0 0 "[ . 1 . 2]" 1
1053 1 51 TRP HZ2 1 71 LEU HB3 . . 4.810 5.067 4.696 5.535 0.725 19 6 "[ * . *1* *. +-]" 1
1054 1 51 TRP HZ2 1 71 LEU QD . . 3.530 2.709 2.278 3.269 . 0 0 "[ . 1 . 2]" 1
1055 1 51 TRP HZ2 1 74 SER QB . . 4.250 4.098 3.765 4.231 . 0 0 "[ . 1 . 2]" 1
1056 1 51 TRP HZ3 1 59 PRO HB3 . . 4.970 3.476 2.471 4.317 . 0 0 "[ . 1 . 2]" 1
1057 1 51 TRP HZ3 1 59 PRO HD3 . . 4.900 4.310 3.661 4.858 . 0 0 "[ . 1 . 2]" 1
1058 1 51 TRP HZ3 1 59 PRO HG3 . . 4.620 2.849 2.159 3.670 . 0 0 "[ . 1 . 2]" 1
1059 1 51 TRP HZ3 1 61 PHE QE . . 4.790 4.530 4.068 4.858 0.068 9 0 "[ . 1 . 2]" 1
1060 1 51 TRP HZ3 1 61 PHE HZ . . 4.380 3.775 3.007 4.376 . 0 0 "[ . 1 . 2]" 1
1061 1 51 TRP HZ3 1 70 LYS HB3 . . 5.010 3.405 2.810 4.147 . 0 0 "[ . 1 . 2]" 1
1062 1 52 ARG H 1 52 ARG HB2 . . 3.620 3.658 3.560 3.744 0.124 20 0 "[ . 1 . 2]" 1
1063 1 52 ARG H 1 52 ARG HB3 . . 3.670 2.682 2.445 2.938 . 0 0 "[ . 1 . 2]" 1
1064 1 52 ARG H 1 52 ARG HD2 . . 5.010 4.236 3.628 4.883 . 0 0 "[ . 1 . 2]" 1
1065 1 52 ARG H 1 52 ARG HD3 . . 4.900 3.384 2.369 4.762 . 0 0 "[ . 1 . 2]" 1
1066 1 52 ARG H 1 52 ARG HE . . 5.000 4.758 4.163 5.080 0.080 12 0 "[ . 1 . 2]" 1
1067 1 52 ARG H 1 52 ARG HG2 . . 3.760 2.310 1.953 2.941 . 0 0 "[ . 1 . 2]" 1
1068 1 52 ARG H 1 52 ARG HG3 . . 4.040 3.502 2.258 3.918 . 0 0 "[ . 1 . 2]" 1
1069 1 52 ARG HA 1 52 ARG HD2 . . 4.630 4.553 4.361 4.719 0.089 8 0 "[ . 1 . 2]" 1
1070 1 52 ARG HA 1 54 ASP H . . 4.860 4.162 3.618 4.611 . 0 0 "[ . 1 . 2]" 1
1071 1 52 ARG HA 1 55 TYR H . . 3.940 3.431 2.743 3.758 . 0 0 "[ . 1 . 2]" 1
1072 1 52 ARG HB2 1 53 GLN H . . 4.380 4.263 4.081 4.445 0.065 7 0 "[ . 1 . 2]" 1
1073 1 52 ARG HB3 1 52 ARG HD3 . . 4.170 2.700 2.352 4.074 . 0 0 "[ . 1 . 2]" 1
1074 1 52 ARG HG3 1 53 GLN H . . 4.110 3.768 3.036 4.167 0.057 16 0 "[ . 1 . 2]" 1
1075 1 52 ARG HG3 1 53 GLN QG . . 5.240 4.846 4.459 5.305 0.065 13 0 "[ . 1 . 2]" 1
1076 1 53 GLN H 1 53 GLN HB2 . . 3.040 2.021 1.904 2.131 . 0 0 "[ . 1 . 2]" 1
1077 1 53 GLN H 1 53 GLN HB3 . . 3.280 3.232 2.966 3.345 0.065 1 0 "[ . 1 . 2]" 1
1078 1 53 GLN H 1 53 GLN QG . . 3.790 3.284 2.983 3.699 . 0 0 "[ . 1 . 2]" 1
1079 1 53 GLN H 1 54 ASP H . . 3.240 3.105 2.704 3.280 0.040 5 0 "[ . 1 . 2]" 1
1080 1 53 GLN HA 1 53 GLN QG . . 3.100 2.167 2.068 2.288 . 0 0 "[ . 1 . 2]" 1
1081 1 53 GLN HA 1 54 ASP HA . . 4.580 4.637 4.617 4.655 0.075 12 0 "[ . 1 . 2]" 1
1082 1 53 GLN HB2 1 53 GLN HE21 . . 4.520 3.838 2.558 4.503 . 0 0 "[ . 1 . 2]" 1
1083 1 53 GLN HB2 1 54 ASP H . . 3.560 3.281 2.879 3.584 0.024 7 0 "[ . 1 . 2]" 1
1084 1 53 GLN HB3 1 53 GLN HE21 . . 4.810 4.310 2.049 4.650 . 0 0 "[ . 1 . 2]" 1
1085 1 53 GLN HB3 1 54 ASP H . . 3.310 2.777 2.482 3.060 . 0 0 "[ . 1 . 2]" 1
1086 1 53 GLN QG 1 54 ASP H . . 4.280 4.296 4.004 4.370 0.090 19 0 "[ . 1 . 2]" 1
1087 1 53 GLN QG 1 54 ASP HA . . 5.130 5.157 4.709 5.228 0.098 9 0 "[ . 1 . 2]" 1
1088 1 54 ASP H 1 54 ASP HB2 . . 3.190 2.656 2.467 2.928 . 0 0 "[ . 1 . 2]" 1
1089 1 54 ASP H 1 54 ASP HB3 . . 3.760 3.636 2.913 3.820 0.060 4 0 "[ . 1 . 2]" 1
1090 1 54 ASP H 1 55 TYR H . . 3.070 2.168 1.940 2.440 . 0 0 "[ . 1 . 2]" 1
1091 1 54 ASP H 1 56 PRO HD3 . . 5.190 5.258 5.187 5.270 0.080 12 0 "[ . 1 . 2]" 1
1092 1 54 ASP HA 1 56 PRO HD3 . . 5.210 3.811 3.645 4.120 . 0 0 "[ . 1 . 2]" 1
1093 1 54 ASP HB2 1 55 TYR H . . 4.400 4.080 3.842 4.397 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ASP HB2 1 55 TYR QD . . 4.000 3.104 2.385 4.155 0.155 12 0 "[ . 1 . 2]" 1
1095 1 54 ASP HB2 1 55 TYR QE . . 4.490 3.899 2.730 5.167 0.677 12 2 "[ . - + . 2]" 1
1096 1 54 ASP HB3 1 55 TYR H . . 4.320 4.350 4.130 4.398 0.078 6 0 "[ . 1 . 2]" 1
1097 1 54 ASP HB3 1 55 TYR QD . . 4.100 3.753 3.163 4.178 0.078 20 0 "[ . 1 . 2]" 1
1098 1 54 ASP HB3 1 55 TYR QE . . 5.390 4.541 3.681 5.242 . 0 0 "[ . 1 . 2]" 1
1099 1 55 TYR H 1 55 TYR HB2 . . 3.780 2.411 2.293 2.580 . 0 0 "[ . 1 . 2]" 1
1100 1 55 TYR H 1 55 TYR QD . . 3.820 2.975 2.732 3.079 . 0 0 "[ . 1 . 2]" 1
1101 1 55 TYR H 1 55 TYR QE . . 5.200 5.230 4.953 5.294 0.094 20 0 "[ . 1 . 2]" 1
1102 1 55 TYR H 1 56 PRO HD2 . . 4.480 4.272 4.115 4.441 . 0 0 "[ . 1 . 2]" 1
1103 1 55 TYR H 1 56 PRO HD3 . . 3.890 3.668 3.399 3.840 . 0 0 "[ . 1 . 2]" 1
1104 1 55 TYR H 1 57 GLU H . . 5.280 5.332 5.229 5.362 0.082 6 0 "[ . 1 . 2]" 1
1105 1 55 TYR HA 1 55 TYR QD . . 3.410 2.957 2.760 3.116 . 0 0 "[ . 1 . 2]" 1
1106 1 55 TYR HA 1 55 TYR QE . . 4.390 4.454 4.309 4.499 0.109 19 0 "[ . 1 . 2]" 1
1107 1 55 TYR HA 1 56 PRO HA . . 4.640 4.652 4.591 4.710 0.070 19 0 "[ . 1 . 2]" 1
1108 1 55 TYR HA 1 56 PRO HD2 . . 3.440 2.178 2.119 2.303 . 0 0 "[ . 1 . 2]" 1
1109 1 55 TYR HA 1 56 PRO HD3 . . 3.530 3.018 2.872 3.232 . 0 0 "[ . 1 . 2]" 1
1110 1 55 TYR HA 1 56 PRO QG . . 4.060 4.006 3.920 4.102 0.042 19 0 "[ . 1 . 2]" 1
1111 1 55 TYR HA 1 57 GLU H . . 3.990 3.226 3.019 3.374 . 0 0 "[ . 1 . 2]" 1
1112 1 55 TYR QD 1 56 PRO HD2 . . 4.870 4.658 4.470 4.889 0.019 19 0 "[ . 1 . 2]" 1
1113 1 55 TYR QD 1 59 PRO HA . . 4.590 4.444 3.618 4.684 0.094 16 0 "[ . 1 . 2]" 1
1114 1 55 TYR QD 1 59 PRO HB3 . . 4.040 3.634 3.062 4.112 0.072 20 0 "[ . 1 . 2]" 1
1115 1 55 TYR QD 1 59 PRO HD2 . . 4.850 4.602 4.047 4.928 0.078 12 0 "[ . 1 . 2]" 1
1116 1 55 TYR QD 1 59 PRO HD3 . . 5.350 2.866 2.320 3.200 . 0 0 "[ . 1 . 2]" 1
1117 1 55 TYR QD 1 59 PRO QG . . 4.820 3.971 3.440 4.266 . 0 0 "[ . 1 . 2]" 1
1118 1 55 TYR QD 1 59 PRO HG3 . . 4.330 4.096 3.516 4.409 0.079 7 0 "[ . 1 . 2]" 1
1119 1 55 TYR QD 1 70 LYS HD2 . . 4.810 4.769 4.465 4.891 0.081 11 0 "[ . 1 . 2]" 1
1120 1 55 TYR QD 1 70 LYS HD3 . . 4.430 4.374 3.755 4.525 0.095 1 0 "[ . 1 . 2]" 1
1121 1 55 TYR QD 1 70 LYS QE . . 4.370 3.708 3.103 4.446 0.076 19 0 "[ . 1 . 2]" 1
1122 1 55 TYR QE 1 59 PRO HB3 . . 5.090 2.459 2.124 3.095 . 0 0 "[ . 1 . 2]" 1
1123 1 55 TYR QE 1 66 PRO QG . . 5.360 4.272 3.298 5.109 . 0 0 "[ . 1 . 2]" 1
1124 1 55 TYR QE 1 67 ALA H . . 5.500 4.453 3.640 5.263 . 0 0 "[ . 1 . 2]" 1
1125 1 55 TYR QE 1 67 ALA HA . . 4.160 3.705 3.041 4.242 0.082 12 0 "[ . 1 . 2]" 1
1126 1 55 TYR QE 1 67 ALA MB . . 3.440 2.410 2.042 2.823 . 0 0 "[ . 1 . 2]" 1
1127 1 55 TYR QE 1 70 LYS HD2 . . 3.440 3.108 2.638 3.432 . 0 0 "[ . 1 . 2]" 1
1128 1 55 TYR QE 1 70 LYS HD3 . . 3.470 3.319 2.963 3.538 0.068 15 0 "[ . 1 . 2]" 1
1129 1 55 TYR QE 1 70 LYS QE . . 4.120 3.194 2.443 4.040 . 0 0 "[ . 1 . 2]" 1
1130 1 56 PRO HB2 1 57 GLU H . . 4.130 3.870 3.540 4.098 . 0 0 "[ . 1 . 2]" 1
1131 1 56 PRO HB3 1 57 GLU H . . 4.500 4.455 4.273 4.560 0.060 17 0 "[ . 1 . 2]" 1
1132 1 56 PRO HD2 1 57 GLU H . . 3.950 2.883 2.652 3.079 . 0 0 "[ . 1 . 2]" 1
1133 1 56 PRO HD3 1 57 GLU H . . 4.060 4.007 3.845 4.110 0.050 1 0 "[ . 1 . 2]" 1
1134 1 56 PRO QG 1 57 GLU H . . 3.420 2.881 2.506 3.133 . 0 0 "[ . 1 . 2]" 1
1135 1 57 GLU H 1 57 GLU HB2 . . 3.380 2.607 2.371 2.792 . 0 0 "[ . 1 . 2]" 1
1136 1 57 GLU H 1 57 GLU QG . . 3.820 3.539 3.097 3.908 0.088 2 0 "[ . 1 . 2]" 1
1137 1 57 GLU H 1 58 PRO HA . . 5.060 4.949 4.678 5.118 0.058 14 0 "[ . 1 . 2]" 1
1138 1 57 GLU HA 1 57 GLU QG . . 3.470 2.206 2.086 2.324 . 0 0 "[ . 1 . 2]" 1
1139 1 57 GLU HA 1 58 PRO HD3 . . 3.130 2.485 2.254 2.725 . 0 0 "[ . 1 . 2]" 1
1140 1 57 GLU HA 1 58 PRO HG2 . . 4.890 4.697 4.552 4.926 0.036 2 0 "[ . 1 . 2]" 1
1141 1 57 GLU HA 1 58 PRO HG3 . . 4.920 4.677 4.300 4.820 . 0 0 "[ . 1 . 2]" 1
1142 1 58 PRO HA 1 59 PRO HD2 . . 3.650 2.402 2.227 2.604 . 0 0 "[ . 1 . 2]" 1
1143 1 58 PRO HA 1 59 PRO QG . . 4.300 4.046 3.967 4.130 . 0 0 "[ . 1 . 2]" 1
1144 1 58 PRO QB 1 59 PRO HD3 . . 4.840 3.629 3.424 3.945 . 0 0 "[ . 1 . 2]" 1
1145 1 59 PRO HA 1 60 ASP H . . 2.890 2.212 2.125 2.473 . 0 0 "[ . 1 . 2]" 1
1146 1 59 PRO HA 1 60 ASP QB . . 5.130 4.211 4.053 4.625 . 0 0 "[ . 1 . 2]" 1
1147 1 59 PRO HB2 1 60 ASP H . . 3.840 3.759 2.758 3.918 0.078 13 0 "[ . 1 . 2]" 1
1148 1 59 PRO HB2 1 61 PHE H . . 5.250 4.405 3.714 5.127 . 0 0 "[ . 1 . 2]" 1
1149 1 59 PRO HB2 1 61 PHE HA . . 5.240 4.742 4.148 5.314 0.074 12 0 "[ . 1 . 2]" 1
1150 1 59 PRO HB2 1 67 ALA MB . . 3.260 2.249 2.079 2.473 . 0 0 "[ . 1 . 2]" 1
1151 1 59 PRO HB3 1 60 ASP H . . 4.290 4.164 3.613 4.312 0.022 19 0 "[ . 1 . 2]" 1
1152 1 59 PRO HD2 1 61 PHE HZ . . 5.240 5.240 5.037 5.318 0.078 10 0 "[ . 1 . 2]" 1
1153 1 59 PRO HD3 1 67 ALA MB . . 5.330 4.307 3.648 4.736 . 0 0 "[ . 1 . 2]" 1
1154 1 59 PRO HG2 1 61 PHE QE . . 4.830 2.280 2.048 2.756 . 0 0 "[ . 1 . 2]" 1
1155 1 59 PRO HG3 1 61 PHE HZ . . 4.540 3.138 2.937 3.543 . 0 0 "[ . 1 . 2]" 1
1156 1 60 ASP H 1 60 ASP QB . . 3.370 2.350 2.067 2.823 . 0 0 "[ . 1 . 2]" 1
1157 1 60 ASP H 1 61 PHE H . . 4.680 4.224 3.814 4.546 . 0 0 "[ . 1 . 2]" 1
1158 1 60 ASP HA 1 61 PHE H . . 3.250 2.287 2.171 2.491 . 0 0 "[ . 1 . 2]" 1
1159 1 60 ASP HA 1 61 PHE QD . . 4.630 4.119 3.599 4.708 0.078 17 0 "[ . 1 . 2]" 1
1160 1 60 ASP QB 1 61 PHE H . . 4.930 3.977 3.828 4.113 . 0 0 "[ . 1 . 2]" 1
1161 1 60 ASP QB 1 63 ALA H . . 4.870 3.464 1.945 4.377 . 0 0 "[ . 1 . 2]" 1
1162 1 60 ASP QB 1 63 ALA MB . . 3.460 3.059 2.211 3.436 . 0 0 "[ . 1 . 2]" 1
1163 1 60 ASP QB 1 64 SER HA . . 5.240 5.033 4.337 5.184 . 0 0 "[ . 1 . 2]" 1
1164 1 61 PHE H 1 61 PHE HB2 . . 3.860 2.504 2.410 2.656 . 0 0 "[ . 1 . 2]" 1
1165 1 61 PHE H 1 61 PHE HB3 . . 4.100 3.646 3.579 3.696 . 0 0 "[ . 1 . 2]" 1
1166 1 61 PHE H 1 61 PHE QD . . 4.030 2.467 2.197 2.676 . 0 0 "[ . 1 . 2]" 1
1167 1 61 PHE H 1 61 PHE QE . . 4.490 4.395 4.082 4.574 0.084 12 0 "[ . 1 . 2]" 1
1168 1 61 PHE H 1 62 ILE H . . 3.990 2.598 2.292 2.873 . 0 0 "[ . 1 . 2]" 1
1169 1 61 PHE H 1 62 ILE MD . . 5.440 4.525 2.984 5.516 0.076 17 0 "[ . 1 . 2]" 1
1170 1 61 PHE H 1 62 ILE HG12 . . 5.500 4.361 3.210 5.840 0.340 12 0 "[ . 1 . 2]" 1
1171 1 61 PHE H 1 107 MET ME . . 4.070 3.849 3.344 4.172 0.102 6 0 "[ . 1 . 2]" 1
1172 1 61 PHE HA 1 61 PHE QD . . 3.640 2.864 2.517 3.073 . 0 0 "[ . 1 . 2]" 1
1173 1 61 PHE HA 1 107 MET ME . . 5.410 4.903 4.585 5.440 0.030 19 0 "[ . 1 . 2]" 1
1174 1 61 PHE HB2 1 62 ILE HA . . 5.200 4.427 4.151 4.736 . 0 0 "[ . 1 . 2]" 1
1175 1 61 PHE HB2 1 107 MET ME . . 3.640 2.430 2.067 2.872 . 0 0 "[ . 1 . 2]" 1
1176 1 61 PHE HB3 1 67 ALA MB . . 5.440 5.397 4.980 5.525 0.085 3 0 "[ . 1 . 2]" 1
1177 1 61 PHE HB3 1 71 LEU QD . . 5.040 4.486 4.055 4.884 . 0 0 "[ . 1 . 2]" 1
1178 1 61 PHE HB3 1 107 MET ME . . 3.890 3.394 2.830 3.970 0.080 19 0 "[ . 1 . 2]" 1
1179 1 61 PHE QD 1 67 ALA MB . . 3.730 3.510 3.047 3.775 0.045 12 0 "[ . 1 . 2]" 1
1180 1 61 PHE QD 1 68 THR HA . . 4.120 3.723 3.080 4.205 0.085 11 0 "[ . 1 . 2]" 1
1181 1 61 PHE QD 1 68 THR MG . . 5.080 4.255 3.594 4.801 . 0 0 "[ . 1 . 2]" 1
1182 1 61 PHE QD 1 71 LEU QD . . 4.010 3.089 2.771 3.476 . 0 0 "[ . 1 . 2]" 1
1183 1 61 PHE QD 1 107 MET ME . . 4.310 2.467 2.139 3.391 . 0 0 "[ . 1 . 2]" 1
1184 1 61 PHE QE 1 67 ALA MB . . 4.180 2.495 2.315 2.888 . 0 0 "[ . 1 . 2]" 1
1185 1 61 PHE QE 1 68 THR HA . . 4.700 3.130 2.399 3.569 . 0 0 "[ . 1 . 2]" 1
1186 1 61 PHE QE 1 71 LEU H . . 4.600 4.240 3.581 4.672 0.072 9 0 "[ . 1 . 2]" 1
1187 1 61 PHE QE 1 71 LEU HB3 . . 4.810 4.729 3.674 5.238 0.428 20 0 "[ . 1 . 2]" 1
1188 1 61 PHE QE 1 71 LEU QD . . 3.930 2.148 1.949 2.618 . 0 0 "[ . 1 . 2]" 1
1189 1 61 PHE HZ 1 67 ALA MB . . 4.790 2.886 2.352 3.586 . 0 0 "[ . 1 . 2]" 1
1190 1 61 PHE HZ 1 71 LEU QD . . 4.210 2.297 2.141 2.591 . 0 0 "[ . 1 . 2]" 1
1191 1 62 ILE H 1 62 ILE HB . . 3.480 2.539 2.344 2.797 . 0 0 "[ . 1 . 2]" 1
1192 1 62 ILE H 1 62 ILE HG12 . . 3.930 2.891 1.925 4.202 0.272 12 0 "[ . 1 . 2]" 1
1193 1 62 ILE H 1 62 ILE HG13 . . 4.570 3.047 2.058 3.738 . 0 0 "[ . 1 . 2]" 1
1194 1 62 ILE H 1 62 ILE MG . . 3.980 3.796 3.717 3.870 . 0 0 "[ . 1 . 2]" 1
1195 1 62 ILE H 1 63 ALA H . . 3.330 2.458 2.094 2.867 . 0 0 "[ . 1 . 2]" 1
1196 1 62 ILE H 1 63 ALA MB . . 5.150 4.184 3.880 4.647 . 0 0 "[ . 1 . 2]" 1
1197 1 62 ILE H 1 64 SER H . . 4.700 3.651 2.919 4.384 . 0 0 "[ . 1 . 2]" 1
1198 1 62 ILE HA 1 62 ILE MD . . 4.540 3.074 2.100 3.987 . 0 0 "[ . 1 . 2]" 1
1199 1 62 ILE HA 1 62 ILE HG12 . . 3.980 2.971 2.545 3.557 . 0 0 "[ . 1 . 2]" 1
1200 1 62 ILE HA 1 62 ILE MG . . 3.400 2.398 2.246 2.586 . 0 0 "[ . 1 . 2]" 1
1201 1 62 ILE HA 1 103 ARG HD2 . . 4.500 3.726 2.058 4.788 0.288 1 0 "[ . 1 . 2]" 1
1202 1 62 ILE HA 1 103 ARG HD3 . . 4.710 3.666 1.951 4.668 . 0 0 "[ . 1 . 2]" 1
1203 1 62 ILE HB 1 62 ILE MD . . 3.360 2.862 2.347 3.304 . 0 0 "[ . 1 . 2]" 1
1204 1 62 ILE HB 1 63 ALA H . . 3.790 2.517 2.160 3.276 . 0 0 "[ . 1 . 2]" 1
1205 1 62 ILE HB 1 63 ALA MB . . 4.530 3.606 3.122 4.156 . 0 0 "[ . 1 . 2]" 1
1206 1 62 ILE HB 1 64 SER H . . 5.350 4.827 4.466 5.116 . 0 0 "[ . 1 . 2]" 1
1207 1 62 ILE MD 1 63 ALA H . . 4.950 4.561 4.092 4.830 . 0 0 "[ . 1 . 2]" 1
1208 1 62 ILE MD 1 103 ARG HB3 . . 5.310 4.788 3.042 6.162 0.852 20 1 "[ . 1 . +]" 1
1209 1 62 ILE MD 1 104 ARG QD . . 4.610 3.749 2.006 4.736 0.126 15 0 "[ . 1 . 2]" 1
1210 1 62 ILE MD 1 104 ARG QG . . 5.410 3.818 2.185 5.489 0.079 19 0 "[ . 1 . 2]" 1
1211 1 62 ILE HG12 1 62 ILE MG . . 3.110 2.813 2.172 3.228 0.118 2 0 "[ . 1 . 2]" 1
1212 1 62 ILE HG12 1 63 ALA H . . 5.330 4.518 3.656 5.107 . 0 0 "[ . 1 . 2]" 1
1213 1 62 ILE HG12 1 107 MET ME . . 4.320 3.993 3.436 5.022 0.702 12 1 "[ . 1 + . 2]" 1
1214 1 62 ILE HG13 1 62 ILE MG . . 3.270 2.754 2.288 3.282 0.012 6 0 "[ . 1 . 2]" 1
1215 1 62 ILE MG 1 63 ALA H . . 4.020 3.444 2.699 4.115 0.095 2 0 "[ . 1 . 2]" 1
1216 1 62 ILE MG 1 63 ALA HA . . 4.590 3.727 3.235 4.215 . 0 0 "[ . 1 . 2]" 1
1217 1 62 ILE MG 1 63 ALA MB . . 4.090 3.656 2.738 4.209 0.119 15 0 "[ . 1 . 2]" 1
1218 1 62 ILE MG 1 100 ARG HA . . 3.440 3.279 2.864 3.542 0.102 12 0 "[ . 1 . 2]" 1
1219 1 62 ILE MG 1 100 ARG QD . . 4.660 4.348 2.652 4.768 0.108 10 0 "[ . 1 . 2]" 1
1220 1 62 ILE MG 1 100 ARG HE . . 5.500 4.675 3.644 5.575 0.075 5 0 "[ . 1 . 2]" 1
1221 1 62 ILE MG 1 100 ARG QG . . 3.580 3.050 2.126 3.521 . 0 0 "[ . 1 . 2]" 1
1222 1 62 ILE MG 1 103 ARG HD2 . . 5.190 4.369 2.121 5.378 0.188 7 0 "[ . 1 . 2]" 1
1223 1 63 ALA H 1 63 ALA MB . . 2.930 2.268 2.175 2.397 . 0 0 "[ . 1 . 2]" 1
1224 1 63 ALA H 1 64 SER H . . 3.320 2.505 1.917 2.852 . 0 0 "[ . 1 . 2]" 1
1225 1 63 ALA H 1 64 SER QB . . 4.880 4.145 3.825 4.434 . 0 0 "[ . 1 . 2]" 1
1226 1 63 ALA HA 1 64 SER QB . . 5.230 4.807 4.594 5.049 . 0 0 "[ . 1 . 2]" 1
1227 1 63 ALA MB 1 64 SER H . . 3.890 2.872 2.166 3.742 . 0 0 "[ . 1 . 2]" 1
1228 1 63 ALA MB 1 64 SER QB . . 5.200 3.135 2.746 3.863 . 0 0 "[ . 1 . 2]" 1
1229 1 64 SER H 1 64 SER QB . . 3.250 2.481 1.959 2.871 . 0 0 "[ . 1 . 2]" 1
1230 1 64 SER H 1 65 ARG H . . 4.580 4.483 4.293 4.648 0.068 8 0 "[ . 1 . 2]" 1
1231 1 64 SER HA 1 65 ARG H . . 3.180 2.566 2.332 2.785 . 0 0 "[ . 1 . 2]" 1
1232 1 64 SER HA 1 65 ARG HA . . 4.440 4.513 4.490 4.528 0.088 10 0 "[ . 1 . 2]" 1
1233 1 64 SER HA 1 65 ARG HB3 . . 4.580 4.584 4.370 4.655 0.075 2 0 "[ . 1 . 2]" 1
1234 1 64 SER HA 1 65 ARG HG3 . . 4.280 4.056 3.640 4.329 0.049 18 0 "[ . 1 . 2]" 1
1235 1 64 SER HA 1 66 PRO QD . . 3.760 3.580 3.229 3.847 0.087 3 0 "[ . 1 . 2]" 1
1236 1 64 SER QB 1 65 ARG H . . 4.850 2.958 2.424 3.230 . 0 0 "[ . 1 . 2]" 1
1237 1 65 ARG H 1 65 ARG HB3 . . 3.560 3.502 3.376 3.600 0.040 5 0 "[ . 1 . 2]" 1
1238 1 65 ARG H 1 65 ARG HD2 . . 4.850 3.580 3.125 4.082 . 0 0 "[ . 1 . 2]" 1
1239 1 65 ARG H 1 65 ARG HD3 . . 4.980 4.744 4.490 4.919 . 0 0 "[ . 1 . 2]" 1
1240 1 65 ARG H 1 65 ARG HG3 . . 4.690 2.745 2.428 2.989 . 0 0 "[ . 1 . 2]" 1
1241 1 65 ARG H 1 66 PRO QD . . 3.840 2.041 1.927 2.211 . 0 0 "[ . 1 . 2]" 1
1242 1 65 ARG H 1 67 ALA H . . 5.000 5.051 4.919 5.080 0.080 3 0 "[ . 1 . 2]" 1
1243 1 65 ARG HA 1 65 ARG HD2 . . 4.390 4.222 4.062 4.424 0.034 8 0 "[ . 1 . 2]" 1
1244 1 65 ARG HA 1 65 ARG HD3 . . 4.360 4.409 4.282 4.465 0.105 16 0 "[ . 1 . 2]" 1
1245 1 65 ARG HA 1 65 ARG HG3 . . 4.060 3.784 3.700 3.826 . 0 0 "[ . 1 . 2]" 1
1246 1 65 ARG HA 1 67 ALA H . . 5.090 3.875 3.583 4.098 . 0 0 "[ . 1 . 2]" 1
1247 1 65 ARG HA 1 68 THR H . . 4.320 3.238 2.857 3.537 . 0 0 "[ . 1 . 2]" 1
1248 1 65 ARG HA 1 68 THR MG . . 4.460 4.417 3.878 4.552 0.092 17 0 "[ . 1 . 2]" 1
1249 1 65 ARG HB2 1 65 ARG HD2 . . 3.690 3.134 2.986 3.301 . 0 0 "[ . 1 . 2]" 1
1250 1 65 ARG HB3 1 65 ARG HD2 . . 3.670 3.904 3.802 4.000 0.330 11 0 "[ . 1 . 2]" 1
1251 1 65 ARG HD2 1 69 VAL MG2 . . 4.610 4.345 4.036 4.403 . 0 0 "[ . 1 . 2]" 1
1252 1 65 ARG HD3 1 69 VAL MG2 . . 4.300 4.072 3.529 4.611 0.311 8 0 "[ . 1 . 2]" 1
1253 1 66 PRO HA 1 69 VAL MG2 . . 3.490 3.509 2.981 3.582 0.092 10 0 "[ . 1 . 2]" 1
1254 1 66 PRO HB2 1 67 ALA H . . 4.490 3.048 2.890 3.270 . 0 0 "[ . 1 . 2]" 1
1255 1 66 PRO HB3 1 67 ALA H . . 3.820 3.936 3.814 4.113 0.293 14 0 "[ . 1 . 2]" 1
1256 1 66 PRO QD 1 67 ALA H . . 4.580 2.623 2.215 2.875 . 0 0 "[ . 1 . 2]" 1
1257 1 66 PRO QG 1 67 ALA H . . 4.290 1.932 1.788 2.186 . 0 0 "[ . 1 . 2]" 1
1258 1 66 PRO QG 1 67 ALA MB . . 4.890 3.071 2.862 3.287 . 0 0 "[ . 1 . 2]" 1
1259 1 67 ALA H 1 67 ALA MB . . 3.110 2.208 2.099 2.296 . 0 0 "[ . 1 . 2]" 1
1260 1 67 ALA H 1 68 THR H . . 3.190 2.732 2.600 2.950 . 0 0 "[ . 1 . 2]" 1
1261 1 67 ALA H 1 69 VAL H . . 4.660 4.603 4.396 4.689 0.029 16 0 "[ . 1 . 2]" 1
1262 1 67 ALA HA 1 69 VAL H . . 5.050 3.856 3.747 4.026 . 0 0 "[ . 1 . 2]" 1
1263 1 67 ALA HA 1 70 LYS H . . 3.930 2.906 2.619 3.210 . 0 0 "[ . 1 . 2]" 1
1264 1 67 ALA HA 1 70 LYS HB2 . . 4.390 2.729 2.331 3.555 . 0 0 "[ . 1 . 2]" 1
1265 1 67 ALA MB 1 68 THR H . . 3.600 3.015 2.740 3.241 . 0 0 "[ . 1 . 2]" 1
1266 1 67 ALA MB 1 69 VAL H . . 4.920 4.634 4.538 4.723 . 0 0 "[ . 1 . 2]" 1
1267 1 68 THR H 1 68 THR HB . . 3.130 2.479 2.316 2.745 . 0 0 "[ . 1 . 2]" 1
1268 1 68 THR H 1 68 THR MG . . 4.120 3.685 3.585 3.746 . 0 0 "[ . 1 . 2]" 1
1269 1 68 THR H 1 69 VAL H . . 3.320 2.891 2.647 3.023 . 0 0 "[ . 1 . 2]" 1
1270 1 68 THR H 1 69 VAL MG2 . . 4.550 4.166 3.936 4.363 . 0 0 "[ . 1 . 2]" 1
1271 1 68 THR HA 1 68 THR MG . . 3.040 2.400 2.279 2.488 . 0 0 "[ . 1 . 2]" 1
1272 1 68 THR HA 1 71 LEU HB2 . . 4.400 2.757 2.269 3.188 . 0 0 "[ . 1 . 2]" 1
1273 1 68 THR HA 1 71 LEU HB3 . . 5.010 3.950 2.604 4.658 . 0 0 "[ . 1 . 2]" 1
1274 1 68 THR HA 1 71 LEU QD . . 3.810 2.478 1.998 3.165 . 0 0 "[ . 1 . 2]" 1
1275 1 68 THR HB 1 69 VAL H . . 3.880 2.848 2.583 3.072 . 0 0 "[ . 1 . 2]" 1
1276 1 68 THR HB 1 69 VAL MG2 . . 4.150 3.407 2.992 3.672 . 0 0 "[ . 1 . 2]" 1
1277 1 68 THR HB 1 106 THR MG . . 4.630 4.498 4.027 4.716 0.086 7 0 "[ . 1 . 2]" 1
1278 1 68 THR MG 1 69 VAL H . . 4.280 3.697 3.494 3.896 . 0 0 "[ . 1 . 2]" 1
1279 1 68 THR MG 1 69 VAL HA . . 4.280 3.927 3.620 4.196 . 0 0 "[ . 1 . 2]" 1
1280 1 68 THR MG 1 69 VAL MG2 . . 3.830 3.845 3.540 3.946 0.116 17 0 "[ . 1 . 2]" 1
1281 1 68 THR MG 1 71 LEU QD . . 4.460 3.296 2.796 3.775 . 0 0 "[ . 1 . 2]" 1
1282 1 68 THR MG 1 72 THR H . . 5.170 4.552 4.022 4.881 . 0 0 "[ . 1 . 2]" 1
1283 1 68 THR MG 1 106 THR MG . . 3.000 2.087 1.973 2.348 . 0 0 "[ . 1 . 2]" 1
1284 1 69 VAL H 1 69 VAL HB . . 3.250 2.504 2.413 2.590 . 0 0 "[ . 1 . 2]" 1
1285 1 69 VAL H 1 69 VAL MG1 . . 4.190 3.765 3.732 3.796 . 0 0 "[ . 1 . 2]" 1
1286 1 69 VAL H 1 69 VAL MG2 . . 2.960 2.047 1.946 2.145 . 0 0 "[ . 1 . 2]" 1
1287 1 69 VAL H 1 70 LYS H . . 3.160 2.543 2.373 2.633 . 0 0 "[ . 1 . 2]" 1
1288 1 69 VAL H 1 70 LYS HA . . 5.150 5.180 5.023 5.224 0.074 19 0 "[ . 1 . 2]" 1
1289 1 69 VAL HA 1 69 VAL MG1 . . 3.070 2.417 2.326 2.521 . 0 0 "[ . 1 . 2]" 1
1290 1 69 VAL HA 1 69 VAL MG2 . . 2.960 2.469 2.380 2.573 . 0 0 "[ . 1 . 2]" 1
1291 1 69 VAL HA 1 72 THR H . . 4.220 3.477 3.153 3.706 . 0 0 "[ . 1 . 2]" 1
1292 1 69 VAL HA 1 72 THR HB . . 3.730 2.914 2.484 3.384 . 0 0 "[ . 1 . 2]" 1
1293 1 69 VAL HB 1 70 LYS H . . 3.490 2.547 2.334 2.721 . 0 0 "[ . 1 . 2]" 1
1294 1 69 VAL MG1 1 70 LYS H . . 3.680 3.569 3.435 3.717 0.037 5 0 "[ . 1 . 2]" 1
1295 1 69 VAL MG1 1 70 LYS HA . . 4.000 3.587 3.405 3.957 . 0 0 "[ . 1 . 2]" 1
1296 1 69 VAL MG1 1 72 THR H . . 4.680 4.645 4.400 4.778 0.098 19 0 "[ . 1 . 2]" 1
1297 1 69 VAL MG1 1 72 THR HB . . 4.760 3.765 3.428 4.080 . 0 0 "[ . 1 . 2]" 1
1298 1 69 VAL MG1 1 72 THR MG . . 4.270 4.267 3.958 4.382 0.112 9 0 "[ . 1 . 2]" 1
1299 1 69 VAL MG1 1 73 ARG H . . 5.500 4.470 4.190 4.684 . 0 0 "[ . 1 . 2]" 1
1300 1 69 VAL MG1 1 73 ARG QD . . 3.440 3.444 2.972 3.557 0.117 1 0 "[ . 1 . 2]" 1
1301 1 69 VAL MG1 1 73 ARG HG2 . . 4.270 3.645 3.306 3.914 . 0 0 "[ . 1 . 2]" 1
1302 1 69 VAL MG1 1 73 ARG HG3 . . 4.750 4.041 3.447 4.839 0.089 16 0 "[ . 1 . 2]" 1
1303 1 69 VAL MG2 1 70 LYS H . . 3.920 3.747 3.632 3.869 . 0 0 "[ . 1 . 2]" 1
1304 1 70 LYS H 1 70 LYS HB2 . . 3.230 2.189 2.060 2.482 . 0 0 "[ . 1 . 2]" 1
1305 1 70 LYS H 1 70 LYS HB3 . . 3.330 2.722 2.575 2.935 . 0 0 "[ . 1 . 2]" 1
1306 1 70 LYS H 1 70 LYS HD2 . . 5.330 4.402 3.965 4.965 . 0 0 "[ . 1 . 2]" 1
1307 1 70 LYS H 1 70 LYS HD3 . . 5.030 4.978 4.817 5.306 0.276 17 0 "[ . 1 . 2]" 1
1308 1 70 LYS H 1 70 LYS HG2 . . 4.990 4.570 4.482 4.645 . 0 0 "[ . 1 . 2]" 1
1309 1 70 LYS H 1 70 LYS HG3 . . 4.720 4.202 4.047 4.387 . 0 0 "[ . 1 . 2]" 1
1310 1 70 LYS H 1 71 LEU H . . 3.530 2.649 2.538 2.752 . 0 0 "[ . 1 . 2]" 1
1311 1 70 LYS H 1 72 THR H . . 4.910 4.093 3.910 4.306 . 0 0 "[ . 1 . 2]" 1
1312 1 70 LYS HA 1 70 LYS HD2 . . 5.270 4.057 3.631 4.270 . 0 0 "[ . 1 . 2]" 1
1313 1 70 LYS HA 1 70 LYS HG2 . . 3.680 3.129 2.997 3.327 . 0 0 "[ . 1 . 2]" 1
1314 1 70 LYS HA 1 70 LYS HG3 . . 4.140 2.251 2.092 2.381 . 0 0 "[ . 1 . 2]" 1
1315 1 70 LYS HA 1 73 ARG H . . 4.170 3.390 3.074 3.591 . 0 0 "[ . 1 . 2]" 1
1316 1 70 LYS HA 1 73 ARG QD . . 3.660 3.601 3.315 3.755 0.095 20 0 "[ . 1 . 2]" 1
1317 1 70 LYS HB2 1 70 LYS HD2 . . 3.960 2.268 2.164 2.507 . 0 0 "[ . 1 . 2]" 1
1318 1 70 LYS HB2 1 70 LYS HD3 . . 4.120 2.951 2.843 3.187 . 0 0 "[ . 1 . 2]" 1
1319 1 70 LYS HB2 1 70 LYS QE . . 5.120 4.077 4.021 4.169 . 0 0 "[ . 1 . 2]" 1
1320 1 70 LYS HB2 1 71 LEU H . . 4.650 3.724 3.430 4.050 . 0 0 "[ . 1 . 2]" 1
1321 1 70 LYS HB3 1 70 LYS HD2 . . 3.980 3.182 2.954 3.378 . 0 0 "[ . 1 . 2]" 1
1322 1 70 LYS HG3 1 71 LEU H . . 4.940 4.897 4.704 5.015 0.075 9 0 "[ . 1 . 2]" 1
1323 1 71 LEU H 1 71 LEU HB2 . . 3.720 2.378 2.065 2.714 . 0 0 "[ . 1 . 2]" 1
1324 1 71 LEU H 1 71 LEU HB3 . . 3.860 3.449 2.875 3.711 . 0 0 "[ . 1 . 2]" 1
1325 1 71 LEU H 1 71 LEU QD . . 4.100 3.068 2.485 3.409 . 0 0 "[ . 1 . 2]" 1
1326 1 71 LEU H 1 71 LEU HG . . 4.850 3.221 2.239 4.500 . 0 0 "[ . 1 . 2]" 1
1327 1 71 LEU H 1 72 THR H . . 3.750 2.823 2.721 2.940 . 0 0 "[ . 1 . 2]" 1
1328 1 71 LEU HA 1 71 LEU QD . . 3.230 2.228 2.123 2.367 . 0 0 "[ . 1 . 2]" 1
1329 1 71 LEU HA 1 71 LEU HG . . 4.210 2.856 2.430 3.258 . 0 0 "[ . 1 . 2]" 1
1330 1 71 LEU HA 1 110 TRP HE1 . . 5.190 3.263 2.759 3.849 . 0 0 "[ . 1 . 2]" 1
1331 1 71 LEU HB2 1 72 THR H . . 3.760 2.875 2.474 3.773 0.013 6 0 "[ . 1 . 2]" 1
1332 1 71 LEU HB2 1 110 TRP HD1 . . 4.550 4.471 3.765 5.345 0.795 19 8 "[ ** .* -1* ** +2]" 1
1333 1 71 LEU HB3 1 72 THR H . . 4.410 3.290 2.523 3.792 . 0 0 "[ . 1 . 2]" 1
1334 1 71 LEU QD 1 72 THR H . . 5.050 4.099 4.006 4.278 . 0 0 "[ . 1 . 2]" 1
1335 1 71 LEU QD 1 74 SER H . . 5.500 5.098 4.873 5.228 . 0 0 "[ . 1 . 2]" 1
1336 1 71 LEU QD 1 75 ILE MD . . 5.240 3.231 2.849 3.542 . 0 0 "[ . 1 . 2]" 1
1337 1 71 LEU QD 1 106 THR MG . . 3.170 2.436 1.894 2.717 . 0 0 "[ . 1 . 2]" 1
1338 1 71 LEU QD 1 107 MET H . . 4.380 4.011 3.602 4.265 . 0 0 "[ . 1 . 2]" 1
1339 1 71 LEU QD 1 107 MET HA . . 3.380 2.308 2.048 2.579 . 0 0 "[ . 1 . 2]" 1
1340 1 71 LEU QD 1 107 MET QB . . 5.200 3.177 2.522 3.809 . 0 0 "[ . 1 . 2]" 1
1341 1 71 LEU QD 1 110 TRP H . . 5.290 3.761 3.385 3.989 . 0 0 "[ . 1 . 2]" 1
1342 1 71 LEU QD 1 110 TRP HB2 . . 4.230 2.492 2.201 2.763 . 0 0 "[ . 1 . 2]" 1
1343 1 71 LEU QD 1 110 TRP HB3 . . 4.160 2.529 2.271 2.915 . 0 0 "[ . 1 . 2]" 1
1344 1 71 LEU QD 1 110 TRP HD1 . . 3.990 3.105 2.710 3.724 . 0 0 "[ . 1 . 2]" 1
1345 1 71 LEU QD 1 110 TRP HE1 . . 4.220 3.318 2.863 4.112 . 0 0 "[ . 1 . 2]" 1
1346 1 71 LEU QD 1 110 TRP HZ2 . . 4.910 4.157 3.686 4.858 . 0 0 "[ . 1 . 2]" 1
1347 1 71 LEU HG 1 72 THR H . . 5.090 4.555 4.242 5.035 . 0 0 "[ . 1 . 2]" 1
1348 1 71 LEU HG 1 110 TRP HD1 . . 4.500 3.767 2.461 4.592 0.092 1 0 "[ . 1 . 2]" 1
1349 1 72 THR H 1 72 THR HB . . 3.360 2.358 2.161 2.567 . 0 0 "[ . 1 . 2]" 1
1350 1 72 THR H 1 73 ARG H . . 3.630 2.722 2.599 2.831 . 0 0 "[ . 1 . 2]" 1
1351 1 72 THR H 1 73 ARG HA . . 5.240 5.301 5.158 5.318 0.078 18 0 "[ . 1 . 2]" 1
1352 1 72 THR H 1 74 SER H . . 4.690 4.366 4.191 4.705 0.015 7 0 "[ . 1 . 2]" 1
1353 1 72 THR HA 1 72 THR MG . . 3.000 2.470 2.322 2.629 . 0 0 "[ . 1 . 2]" 1
1354 1 72 THR HA 1 74 SER H . . 4.410 4.016 3.539 4.451 0.041 7 0 "[ . 1 . 2]" 1
1355 1 72 THR HA 1 75 ILE H . . 4.450 3.188 2.794 3.408 . 0 0 "[ . 1 . 2]" 1
1356 1 72 THR HA 1 75 ILE HB . . 4.880 2.420 2.069 2.860 . 0 0 "[ . 1 . 2]" 1
1357 1 72 THR HA 1 75 ILE MD . . 3.240 2.274 2.092 2.426 . 0 0 "[ . 1 . 2]" 1
1358 1 72 THR HA 1 75 ILE HG13 . . 4.280 3.201 2.496 3.718 . 0 0 "[ . 1 . 2]" 1
1359 1 72 THR HB 1 73 ARG H . . 3.400 2.906 2.537 3.175 . 0 0 "[ . 1 . 2]" 1
1360 1 72 THR MG 1 73 ARG H . . 3.460 3.557 3.535 3.576 0.116 17 0 "[ . 1 . 2]" 1
1361 1 72 THR MG 1 73 ARG HA . . 3.680 3.680 3.466 3.776 0.096 17 0 "[ . 1 . 2]" 1
1362 1 72 THR MG 1 75 ILE H . . 4.600 4.019 3.794 4.170 . 0 0 "[ . 1 . 2]" 1
1363 1 72 THR MG 1 75 ILE HB . . 5.310 3.255 2.896 3.485 . 0 0 "[ . 1 . 2]" 1
1364 1 72 THR MG 1 75 ILE MD . . 3.760 3.720 3.333 3.871 0.111 20 0 "[ . 1 . 2]" 1
1365 1 73 ARG H 1 73 ARG HB2 . . 2.990 2.730 2.645 2.940 . 0 0 "[ . 1 . 2]" 1
1366 1 73 ARG H 1 73 ARG HB3 . . 3.730 3.642 3.600 3.701 . 0 0 "[ . 1 . 2]" 1
1367 1 73 ARG H 1 73 ARG QD . . 4.030 3.811 2.841 4.121 0.091 19 0 "[ . 1 . 2]" 1
1368 1 73 ARG H 1 73 ARG HG2 . . 3.630 2.299 1.980 2.785 . 0 0 "[ . 1 . 2]" 1
1369 1 73 ARG H 1 73 ARG HG3 . . 3.770 2.914 2.287 3.643 . 0 0 "[ . 1 . 2]" 1
1370 1 73 ARG H 1 74 SER H . . 3.380 2.854 2.713 3.015 . 0 0 "[ . 1 . 2]" 1
1371 1 73 ARG H 1 75 ILE H . . 4.770 4.137 4.023 4.327 . 0 0 "[ . 1 . 2]" 1
1372 1 73 ARG HA 1 73 ARG QD . . 3.880 3.335 2.202 3.979 0.099 10 0 "[ . 1 . 2]" 1
1373 1 73 ARG HA 1 73 ARG HG2 . . 3.790 2.784 2.301 3.278 . 0 0 "[ . 1 . 2]" 1
1374 1 73 ARG HA 1 73 ARG HG3 . . 3.450 3.706 3.382 3.872 0.422 9 0 "[ . 1 . 2]" 1
1375 1 73 ARG HA 1 75 ILE H . . 4.500 3.856 3.629 4.042 . 0 0 "[ . 1 . 2]" 1
1376 1 73 ARG HB2 1 74 SER H . . 3.770 2.787 2.174 3.027 . 0 0 "[ . 1 . 2]" 1
1377 1 73 ARG HB3 1 73 ARG QD . . 3.780 2.669 2.339 3.229 . 0 0 "[ . 1 . 2]" 1
1378 1 73 ARG HB3 1 74 SER H . . 3.880 3.852 3.339 3.959 0.079 6 0 "[ . 1 . 2]" 1
1379 1 73 ARG QD 1 73 ARG HG2 . . 2.790 2.216 2.102 2.390 . 0 0 "[ . 1 . 2]" 1
1380 1 73 ARG HG3 1 74 SER H . . 4.810 4.605 3.948 5.107 0.297 11 0 "[ . 1 . 2]" 1
1381 1 74 SER H 1 74 SER QB . . 3.380 2.333 2.092 2.659 . 0 0 "[ . 1 . 2]" 1
1382 1 74 SER H 1 75 ILE H . . 3.370 2.686 2.425 3.017 . 0 0 "[ . 1 . 2]" 1
1383 1 74 SER H 1 75 ILE MD . . 5.030 4.671 4.293 5.069 0.039 15 0 "[ . 1 . 2]" 1
1384 1 74 SER H 1 75 ILE HG13 . . 5.180 3.810 3.376 4.486 . 0 0 "[ . 1 . 2]" 1
1385 1 74 SER H 1 110 TRP HE1 . . 5.300 4.386 3.733 4.862 . 0 0 "[ . 1 . 2]" 1
1386 1 74 SER QB 1 75 ILE H . . 4.660 3.605 3.349 4.078 . 0 0 "[ . 1 . 2]" 1
1387 1 74 SER QB 1 110 TRP HE1 . . 4.530 2.402 2.089 3.456 . 0 0 "[ . 1 . 2]" 1
1388 1 75 ILE H 1 75 ILE HB . . 3.200 2.636 2.514 2.812 . 0 0 "[ . 1 . 2]" 1
1389 1 75 ILE H 1 75 ILE MD . . 3.830 3.858 3.700 3.923 0.093 18 0 "[ . 1 . 2]" 1
1390 1 75 ILE H 1 75 ILE HG12 . . 5.000 4.040 3.677 4.347 . 0 0 "[ . 1 . 2]" 1
1391 1 75 ILE H 1 75 ILE HG13 . . 3.600 2.833 2.531 3.137 . 0 0 "[ . 1 . 2]" 1
1392 1 75 ILE H 1 75 ILE MG . . 4.050 3.871 3.788 3.941 . 0 0 "[ . 1 . 2]" 1
1393 1 75 ILE H 1 110 TRP HD1 . . 4.710 4.730 4.422 4.790 0.080 7 0 "[ . 1 . 2]" 1
1394 1 75 ILE HA 1 75 ILE MD . . 4.580 3.888 3.838 3.953 . 0 0 "[ . 1 . 2]" 1
1395 1 75 ILE HA 1 75 ILE MG . . 3.700 2.373 2.267 2.483 . 0 0 "[ . 1 . 2]" 1
1396 1 75 ILE HA 1 76 PRO HB3 . . 5.120 5.008 4.909 5.093 . 0 0 "[ . 1 . 2]" 1
1397 1 75 ILE HA 1 76 PRO QD . . 3.710 2.005 1.918 2.084 . 0 0 "[ . 1 . 2]" 1
1398 1 75 ILE HA 1 79 TYR QD . . 4.980 3.845 3.427 4.430 . 0 0 "[ . 1 . 2]" 1
1399 1 75 ILE HA 1 109 ASN HD21 . . 5.240 5.057 4.347 6.101 0.861 10 2 "[- . + . 2]" 1
1400 1 75 ILE HB 1 75 ILE MD . . 3.310 2.339 2.272 2.426 . 0 0 "[ . 1 . 2]" 1
1401 1 75 ILE HB 1 76 PRO QD . . 5.120 4.467 4.418 4.516 . 0 0 "[ . 1 . 2]" 1
1402 1 75 ILE MD 1 75 ILE MG . . 2.970 2.127 2.089 2.228 . 0 0 "[ . 1 . 2]" 1
1403 1 75 ILE MD 1 80 LYS QD . . 5.000 4.375 3.994 4.681 . 0 0 "[ . 1 . 2]" 1
1404 1 75 ILE MD 1 109 ASN HB3 . . 3.960 3.102 2.435 4.059 0.099 10 0 "[ . 1 . 2]" 1
1405 1 75 ILE MD 1 109 ASN HD21 . . 3.520 2.817 2.063 4.020 0.500 10 0 "[ . 1 . 2]" 1
1406 1 75 ILE MD 1 109 ASN HD22 . . 4.050 3.655 2.741 4.077 0.027 9 0 "[ . 1 . 2]" 1
1407 1 75 ILE MD 1 110 TRP H . . 3.990 3.466 3.108 4.042 0.052 11 0 "[ . 1 . 2]" 1
1408 1 75 ILE MD 1 110 TRP HA . . 4.210 2.828 2.398 3.307 . 0 0 "[ . 1 . 2]" 1
1409 1 75 ILE MD 1 110 TRP HB2 . . 5.490 2.210 2.102 2.345 . 0 0 "[ . 1 . 2]" 1
1410 1 75 ILE MD 1 110 TRP HB3 . . 4.060 3.735 3.560 3.853 . 0 0 "[ . 1 . 2]" 1
1411 1 75 ILE MD 1 110 TRP HD1 . . 4.200 3.078 2.760 3.337 . 0 0 "[ . 1 . 2]" 1
1412 1 75 ILE MD 1 110 TRP HE1 . . 5.470 5.287 4.963 5.538 0.068 5 0 "[ . 1 . 2]" 1
1413 1 75 ILE HG12 1 110 TRP HA . . 4.470 2.637 2.355 2.837 . 0 0 "[ . 1 . 2]" 1
1414 1 75 ILE HG12 1 110 TRP HD1 . . 3.870 3.684 2.872 3.936 0.066 12 0 "[ . 1 . 2]" 1
1415 1 75 ILE HG13 1 110 TRP HA . . 4.580 3.489 3.108 4.058 . 0 0 "[ . 1 . 2]" 1
1416 1 75 ILE HG13 1 110 TRP HD1 . . 3.830 2.722 2.490 3.110 . 0 0 "[ . 1 . 2]" 1
1417 1 75 ILE HG13 1 110 TRP HE1 . . 5.210 4.881 4.570 5.235 0.025 12 0 "[ . 1 . 2]" 1
1418 1 75 ILE HG13 1 113 ALA MB . . 5.500 3.605 2.908 4.573 . 0 0 "[ . 1 . 2]" 1
1419 1 75 ILE MG 1 76 PRO QD . . 3.570 3.418 3.197 3.561 . 0 0 "[ . 1 . 2]" 1
1420 1 75 ILE MG 1 79 TYR H . . 4.160 4.013 3.806 4.224 0.064 14 0 "[ . 1 . 2]" 1
1421 1 75 ILE MG 1 79 TYR HB2 . . 3.640 3.136 2.789 3.655 0.015 11 0 "[ . 1 . 2]" 1
1422 1 75 ILE MG 1 79 TYR HB3 . . 4.670 3.346 2.986 4.004 . 0 0 "[ . 1 . 2]" 1
1423 1 75 ILE MG 1 80 LYS H . . 4.650 3.901 3.532 4.236 . 0 0 "[ . 1 . 2]" 1
1424 1 75 ILE MG 1 80 LYS HA . . 3.480 2.359 2.158 2.682 . 0 0 "[ . 1 . 2]" 1
1425 1 75 ILE MG 1 80 LYS QD . . 3.730 2.101 1.949 2.387 . 0 0 "[ . 1 . 2]" 1
1426 1 75 ILE MG 1 80 LYS HE2 . . 5.500 3.214 2.599 3.685 . 0 0 "[ . 1 . 2]" 1
1427 1 75 ILE MG 1 80 LYS HE3 . . 5.420 4.203 3.678 4.641 . 0 0 "[ . 1 . 2]" 1
1428 1 75 ILE MG 1 109 ASN HD21 . . 4.290 2.685 2.086 3.161 . 0 0 "[ . 1 . 2]" 1
1429 1 75 ILE MG 1 109 ASN HD22 . . 4.100 2.609 1.807 2.987 . 0 0 "[ . 1 . 2]" 1
1430 1 75 ILE MG 1 113 ALA H . . 5.500 5.156 4.592 5.580 0.080 19 0 "[ . 1 . 2]" 1
1431 1 75 ILE MG 1 113 ALA MB . . 3.510 2.984 2.572 3.405 . 0 0 "[ . 1 . 2]" 1
1432 1 76 PRO HA 1 77 ALA H . . 2.870 2.566 2.456 2.658 . 0 0 "[ . 1 . 2]" 1
1433 1 76 PRO HA 1 77 ALA HA . . 4.340 4.339 4.268 4.395 0.055 12 0 "[ . 1 . 2]" 1
1434 1 76 PRO HA 1 78 PRO HD2 . . 4.120 4.042 3.935 4.114 . 0 0 "[ . 1 . 2]" 1
1435 1 76 PRO HB2 1 77 ALA H . . 3.950 2.435 2.263 2.595 . 0 0 "[ . 1 . 2]" 1
1436 1 76 PRO HB2 1 78 PRO HD2 . . 3.780 2.117 2.068 2.177 . 0 0 "[ . 1 . 2]" 1
1437 1 76 PRO HB2 1 78 PRO HD3 . . 4.230 3.774 3.575 3.880 . 0 0 "[ . 1 . 2]" 1
1438 1 76 PRO HB2 1 78 PRO HG2 . . 4.720 3.211 2.792 3.568 . 0 0 "[ . 1 . 2]" 1
1439 1 76 PRO HB2 1 79 TYR H . . 4.880 4.221 3.939 4.409 . 0 0 "[ . 1 . 2]" 1
1440 1 76 PRO HB3 1 77 ALA H . . 4.460 3.623 3.544 3.713 . 0 0 "[ . 1 . 2]" 1
1441 1 76 PRO HB3 1 78 PRO HD2 . . 3.910 3.876 3.751 3.959 0.049 8 0 "[ . 1 . 2]" 1
1442 1 76 PRO HB3 1 78 PRO HG2 . . 4.740 4.564 4.180 4.801 0.061 9 0 "[ . 1 . 2]" 1
1443 1 76 PRO HB3 1 79 TYR QD . . 4.420 4.521 4.513 4.528 0.108 4 0 "[ . 1 . 2]" 1
1444 1 76 PRO QD 1 79 TYR QD . . 4.410 2.092 1.909 2.436 . 0 0 "[ . 1 . 2]" 1
1445 1 76 PRO QD 1 79 TYR QE . . 4.320 4.065 3.730 4.413 0.093 18 0 "[ . 1 . 2]" 1
1446 1 76 PRO QD 1 113 ALA MB . . 4.580 2.943 2.258 3.601 . 0 0 "[ . 1 . 2]" 1
1447 1 76 PRO HG2 1 77 ALA H . . 4.980 4.013 3.845 4.167 . 0 0 "[ . 1 . 2]" 1
1448 1 76 PRO HG2 1 78 PRO HD2 . . 5.500 3.060 2.551 3.411 . 0 0 "[ . 1 . 2]" 1
1449 1 76 PRO HG2 1 79 TYR QD . . 4.670 2.546 2.365 2.716 . 0 0 "[ . 1 . 2]" 1
1450 1 76 PRO HG2 1 79 TYR QE . . 4.290 4.045 3.704 4.238 . 0 0 "[ . 1 . 2]" 1
1451 1 76 PRO HG2 1 113 ALA MB . . 5.410 4.639 4.225 5.011 . 0 0 "[ . 1 . 2]" 1
1452 1 76 PRO HG3 1 77 ALA H . . 5.460 4.887 4.720 5.017 . 0 0 "[ . 1 . 2]" 1
1453 1 76 PRO HG3 1 79 TYR QD . . 5.030 2.492 2.321 2.636 . 0 0 "[ . 1 . 2]" 1
1454 1 77 ALA H 1 77 ALA MB . . 2.840 2.217 2.129 2.245 . 0 0 "[ . 1 . 2]" 1
1455 1 77 ALA H 1 78 PRO HD2 . . 3.840 2.289 2.241 2.375 . 0 0 "[ . 1 . 2]" 1
1456 1 77 ALA H 1 78 PRO HD3 . . 3.820 3.457 3.276 3.675 . 0 0 "[ . 1 . 2]" 1
1457 1 77 ALA H 1 78 PRO HG2 . . 5.160 4.453 4.277 4.606 . 0 0 "[ . 1 . 2]" 1
1458 1 77 ALA H 1 78 PRO HG3 . . 4.760 4.840 4.831 4.848 0.088 19 0 "[ . 1 . 2]" 1
1459 1 77 ALA H 1 79 TYR H . . 5.130 4.228 4.134 4.303 . 0 0 "[ . 1 . 2]" 1
1460 1 77 ALA H 1 80 LYS HE2 . . 4.850 4.645 3.679 4.918 0.068 20 0 "[ . 1 . 2]" 1
1461 1 77 ALA H 1 80 LYS HE3 . . 4.750 4.457 3.585 4.919 0.169 19 0 "[ . 1 . 2]" 1
1462 1 77 ALA HA 1 79 TYR H . . 4.350 3.858 3.681 4.042 . 0 0 "[ . 1 . 2]" 1
1463 1 77 ALA HA 1 80 LYS HE2 . . 3.690 3.489 2.247 3.738 0.048 11 0 "[ . 1 . 2]" 1
1464 1 77 ALA HA 1 80 LYS HE3 . . 3.680 2.583 1.970 3.158 . 0 0 "[ . 1 . 2]" 1
1465 1 77 ALA HA 1 80 LYS HG2 . . 3.670 2.386 2.075 2.843 . 0 0 "[ . 1 . 2]" 1
1466 1 77 ALA HA 1 80 LYS HG3 . . 3.340 3.048 2.444 3.428 0.088 16 0 "[ . 1 . 2]" 1
1467 1 77 ALA MB 1 78 PRO HA . . 5.100 4.013 3.853 4.073 . 0 0 "[ . 1 . 2]" 1
1468 1 77 ALA MB 1 78 PRO HD2 . . 3.350 2.705 2.432 3.034 . 0 0 "[ . 1 . 2]" 1
1469 1 77 ALA MB 1 78 PRO HD3 . . 2.970 2.365 2.234 2.486 . 0 0 "[ . 1 . 2]" 1
1470 1 77 ALA MB 1 79 TYR H . . 4.430 4.405 4.333 4.496 0.066 13 0 "[ . 1 . 2]" 1
1471 1 78 PRO HA 1 79 TYR HA . . 4.570 4.607 4.538 4.646 0.076 20 0 "[ . 1 . 2]" 1
1472 1 78 PRO HA 1 80 LYS H . . 4.380 4.067 3.790 4.417 0.037 11 0 "[ . 1 . 2]" 1
1473 1 78 PRO HB2 1 79 TYR H . . 4.180 3.915 3.539 4.175 . 0 0 "[ . 1 . 2]" 1
1474 1 78 PRO HB2 1 79 TYR QD . . 3.980 3.411 2.962 4.010 0.030 6 0 "[ . 1 . 2]" 1
1475 1 78 PRO HB3 1 79 TYR H . . 4.620 4.581 4.425 4.677 0.057 1 0 "[ . 1 . 2]" 1
1476 1 78 PRO HD2 1 79 TYR H . . 4.270 3.415 3.127 3.631 . 0 0 "[ . 1 . 2]" 1
1477 1 78 PRO HD3 1 79 TYR H . . 4.560 4.301 4.107 4.410 . 0 0 "[ . 1 . 2]" 1
1478 1 78 PRO HG2 1 79 TYR H . . 4.260 3.151 2.843 3.407 . 0 0 "[ . 1 . 2]" 1
1479 1 78 PRO HG2 1 79 TYR QD . . 5.400 3.694 3.355 3.983 . 0 0 "[ . 1 . 2]" 1
1480 1 79 TYR H 1 79 TYR HB2 . . 3.540 2.511 2.347 2.818 . 0 0 "[ . 1 . 2]" 1
1481 1 79 TYR H 1 79 TYR QD . . 4.300 3.653 3.516 3.817 . 0 0 "[ . 1 . 2]" 1
1482 1 79 TYR H 1 80 LYS H . . 3.100 2.531 2.237 2.979 . 0 0 "[ . 1 . 2]" 1
1483 1 79 TYR H 1 80 LYS QB . . 4.710 4.557 4.247 4.782 0.072 11 0 "[ . 1 . 2]" 1
1484 1 79 TYR H 1 80 LYS QD . . 4.900 4.275 3.533 4.987 0.087 19 0 "[ . 1 . 2]" 1
1485 1 79 TYR H 1 80 LYS HG2 . . 5.340 3.450 3.197 3.629 . 0 0 "[ . 1 . 2]" 1
1486 1 79 TYR H 1 80 LYS HG3 . . 5.170 5.131 4.839 5.240 0.070 8 0 "[ . 1 . 2]" 1
1487 1 79 TYR H 1 81 GLN H . . 5.150 5.046 4.703 5.234 0.084 13 0 "[ . 1 . 2]" 1
1488 1 79 TYR HA 1 79 TYR QD . . 2.860 1.977 1.932 2.054 . 0 0 "[ . 1 . 2]" 1
1489 1 79 TYR HA 1 79 TYR QE . . 4.120 4.223 4.211 4.232 0.112 14 0 "[ . 1 . 2]" 1
1490 1 79 TYR HA 1 81 GLN H . . 4.350 3.901 3.267 4.379 0.029 6 0 "[ . 1 . 2]" 1
1491 1 79 TYR HA 1 82 LEU H . . 4.580 4.007 3.624 4.291 . 0 0 "[ . 1 . 2]" 1
1492 1 79 TYR HA 1 82 LEU QD . . 3.610 2.202 1.820 2.806 . 0 0 "[ . 1 . 2]" 1
1493 1 79 TYR HA 1 82 LEU HG . . 3.720 2.435 2.088 3.823 0.103 16 0 "[ . 1 . 2]" 1
1494 1 79 TYR HA 1 113 ALA MB . . 4.590 4.326 3.780 4.696 0.106 20 0 "[ . 1 . 2]" 1
1495 1 79 TYR HB2 1 80 LYS H . . 4.670 3.996 3.743 4.373 . 0 0 "[ . 1 . 2]" 1
1496 1 79 TYR HB2 1 80 LYS HA . . 4.870 4.681 4.558 4.877 0.007 11 0 "[ . 1 . 2]" 1
1497 1 79 TYR HB2 1 82 LEU QD . . 4.140 3.560 3.036 3.965 . 0 0 "[ . 1 . 2]" 1
1498 1 79 TYR HB2 1 82 LEU HG . . 4.640 4.436 4.080 4.756 0.116 18 0 "[ . 1 . 2]" 1
1499 1 79 TYR HB2 1 113 ALA MB . . 3.790 3.105 2.617 3.478 . 0 0 "[ . 1 . 2]" 1
1500 1 79 TYR HB3 1 82 LEU H . . 5.500 4.782 4.346 5.073 . 0 0 "[ . 1 . 2]" 1
1501 1 79 TYR HB3 1 82 LEU QD . . 4.460 2.300 1.824 2.932 . 0 0 "[ . 1 . 2]" 1
1502 1 79 TYR HB3 1 82 LEU HG . . 4.490 3.096 2.603 3.457 . 0 0 "[ . 1 . 2]" 1
1503 1 79 TYR HB3 1 113 ALA MB . . 4.530 2.330 1.998 2.644 . 0 0 "[ . 1 . 2]" 1
1504 1 79 TYR QD 1 80 LYS H . . 4.570 4.634 4.418 4.674 0.104 6 0 "[ . 1 . 2]" 1
1505 1 79 TYR QD 1 82 LEU QD . . 3.310 2.054 1.863 2.370 . 0 0 "[ . 1 . 2]" 1
1506 1 79 TYR QD 1 82 LEU HG . . 5.130 3.375 2.431 4.168 . 0 0 "[ . 1 . 2]" 1
1507 1 79 TYR QD 1 113 ALA MB . . 3.150 2.955 2.482 3.246 0.096 20 0 "[ . 1 . 2]" 1
1508 1 79 TYR QE 1 82 LEU QD . . 3.630 3.137 2.875 3.373 . 0 0 "[ . 1 . 2]" 1
1509 1 79 TYR QE 1 113 ALA HA . . 4.360 4.416 4.148 4.461 0.101 8 0 "[ . 1 . 2]" 1
1510 1 79 TYR QE 1 116 ARG QD . . 4.770 3.397 2.040 4.047 . 0 0 "[ . 1 . 2]" 1
1511 1 79 TYR QE 1 116 ARG HG2 . . 4.270 4.192 2.757 4.990 0.720 18 3 "[ . - 1* . + 2]" 1
1512 1 79 TYR QE 1 117 SER H . . 4.400 4.122 3.248 4.510 0.110 20 0 "[ . 1 . 2]" 1
1513 1 79 TYR QE 1 117 SER HA . . 3.950 3.697 2.701 4.057 0.107 5 0 "[ . 1 . 2]" 1
1514 1 79 TYR QE 1 117 SER QB . . 5.290 3.924 2.391 4.857 . 0 0 "[ . 1 . 2]" 1
1515 1 80 LYS H 1 80 LYS QB . . 3.090 2.457 2.262 2.671 . 0 0 "[ . 1 . 2]" 1
1516 1 80 LYS H 1 80 LYS QD . . 3.870 3.577 3.146 3.950 0.080 12 0 "[ . 1 . 2]" 1
1517 1 80 LYS H 1 80 LYS HG2 . . 3.770 2.489 2.195 2.691 . 0 0 "[ . 1 . 2]" 1
1518 1 80 LYS H 1 81 GLN H . . 3.490 2.733 2.476 3.043 . 0 0 "[ . 1 . 2]" 1
1519 1 80 LYS H 1 82 LEU QD . . 5.500 4.094 3.136 4.735 . 0 0 "[ . 1 . 2]" 1
1520 1 80 LYS HA 1 80 LYS QD . . 3.510 2.109 1.999 2.239 . 0 0 "[ . 1 . 2]" 1
1521 1 80 LYS HA 1 80 LYS HG2 . . 3.670 3.077 2.627 3.423 . 0 0 "[ . 1 . 2]" 1
1522 1 80 LYS HA 1 81 GLN HA . . 4.610 4.569 4.474 4.627 0.017 18 0 "[ . 1 . 2]" 1
1523 1 80 LYS HA 1 109 ASN HD21 . . 4.500 4.248 3.669 4.573 0.073 2 0 "[ . 1 . 2]" 1
1524 1 80 LYS HA 1 109 ASN HD22 . . 3.690 3.168 2.814 3.471 . 0 0 "[ . 1 . 2]" 1
1525 1 80 LYS QB 1 80 LYS QD . . 2.870 2.355 2.220 2.475 . 0 0 "[ . 1 . 2]" 1
1526 1 80 LYS QB 1 80 LYS HE2 . . 4.460 4.457 4.183 4.608 0.148 7 0 "[ . 1 . 2]" 1
1527 1 80 LYS QB 1 80 LYS HE3 . . 4.910 4.034 3.774 4.257 . 0 0 "[ . 1 . 2]" 1
1528 1 80 LYS QB 1 81 GLN HE21 . . 4.530 4.130 3.158 4.618 0.088 7 0 "[ . 1 . 2]" 1
1529 1 81 GLN H 1 81 GLN QB . . 3.160 2.694 2.397 3.090 . 0 0 "[ . 1 . 2]" 1
1530 1 81 GLN H 1 81 GLN HE21 . . 5.320 4.623 3.998 5.374 0.054 3 0 "[ . 1 . 2]" 1
1531 1 81 GLN H 1 81 GLN HG2 . . 3.620 3.172 1.884 3.693 0.073 13 0 "[ . 1 . 2]" 1
1532 1 81 GLN H 1 81 GLN HG3 . . 3.620 2.746 2.273 3.357 . 0 0 "[ . 1 . 2]" 1
1533 1 81 GLN H 1 82 LEU H . . 3.460 2.737 2.274 3.024 . 0 0 "[ . 1 . 2]" 1
1534 1 81 GLN H 1 82 LEU QD . . 4.570 3.558 2.134 4.362 . 0 0 "[ . 1 . 2]" 1
1535 1 81 GLN H 1 82 LEU HG . . 4.900 4.001 3.264 4.953 0.053 18 0 "[ . 1 . 2]" 1
1536 1 81 GLN HA 1 81 GLN HG2 . . 3.490 2.797 2.345 3.590 0.100 20 0 "[ . 1 . 2]" 1
1537 1 81 GLN HA 1 81 GLN HG3 . . 3.450 3.404 3.185 3.581 0.131 11 0 "[ . 1 . 2]" 1
1538 1 81 GLN HA 1 83 LEU H . . 4.480 3.488 3.173 3.838 . 0 0 "[ . 1 . 2]" 1
1539 1 81 GLN HA 1 84 LYS H . . 5.210 3.974 3.656 4.148 . 0 0 "[ . 1 . 2]" 1
1540 1 81 GLN HA 1 85 GLU H . . 4.950 4.816 4.553 5.033 0.083 11 0 "[ . 1 . 2]" 1
1541 1 81 GLN QB 1 82 LEU H . . 4.910 3.890 3.524 4.202 . 0 0 "[ . 1 . 2]" 1
1542 1 81 GLN QB 1 84 LYS QB . . 4.660 3.337 2.494 4.400 . 0 0 "[ . 1 . 2]" 1
1543 1 81 GLN QB 1 85 GLU H . . 4.750 3.680 3.329 4.370 . 0 0 "[ . 1 . 2]" 1
1544 1 81 GLN HE21 1 81 GLN HG2 . . 3.630 3.067 2.271 3.646 0.016 9 0 "[ . 1 . 2]" 1
1545 1 81 GLN HG2 1 82 LEU H . . 5.140 4.957 4.449 5.184 0.044 6 0 "[ . 1 . 2]" 1
1546 1 81 GLN HG3 1 82 LEU H . . 5.060 4.782 3.642 5.213 0.153 14 0 "[ . 1 . 2]" 1
1547 1 82 LEU H 1 82 LEU HB3 . . 4.170 3.626 3.515 3.677 . 0 0 "[ . 1 . 2]" 1
1548 1 82 LEU H 1 82 LEU QD . . 3.850 2.845 1.823 3.216 . 0 0 "[ . 1 . 2]" 1
1549 1 82 LEU H 1 82 LEU HG . . 3.540 2.534 2.033 3.623 0.083 18 0 "[ . 1 . 2]" 1
1550 1 82 LEU H 1 83 LEU H . . 3.850 2.806 2.527 3.114 . 0 0 "[ . 1 . 2]" 1
1551 1 82 LEU H 1 112 LEU QD . . 4.800 4.284 3.643 4.767 . 0 0 "[ . 1 . 2]" 1
1552 1 82 LEU HA 1 82 LEU QD . . 2.980 2.146 2.054 2.425 . 0 0 "[ . 1 . 2]" 1
1553 1 82 LEU HA 1 85 GLU H . . 3.630 2.957 2.368 3.388 . 0 0 "[ . 1 . 2]" 1
1554 1 82 LEU HA 1 85 GLU HB2 . . 5.480 2.167 1.965 4.463 . 0 0 "[ . 1 . 2]" 1
1555 1 82 LEU HA 1 85 GLU HB3 . . 3.810 3.673 2.953 3.875 0.065 14 0 "[ . 1 . 2]" 1
1556 1 82 LEU HA 1 85 GLU HG3 . . 4.640 3.235 2.269 3.977 . 0 0 "[ . 1 . 2]" 1
1557 1 82 LEU HA 1 86 GLU H . . 3.970 3.179 2.742 3.643 . 0 0 "[ . 1 . 2]" 1
1558 1 82 LEU HA 1 86 GLU HG2 . . 5.240 3.302 2.328 5.161 . 0 0 "[ . 1 . 2]" 1
1559 1 82 LEU HB3 1 82 LEU QD . . 3.190 2.161 2.070 2.360 . 0 0 "[ . 1 . 2]" 1
1560 1 82 LEU HB3 1 86 GLU HG2 . . 5.170 3.139 2.184 5.215 0.045 5 0 "[ . 1 . 2]" 1
1561 1 82 LEU HB3 1 112 LEU QD . . 4.410 2.555 1.943 3.929 . 0 0 "[ . 1 . 2]" 1
1562 1 82 LEU QD 1 83 LEU H . . 5.500 4.191 3.395 4.459 . 0 0 "[ . 1 . 2]" 1
1563 1 82 LEU QD 1 85 GLU HB2 . . 4.160 2.657 2.285 4.250 0.090 5 0 "[ . 1 . 2]" 1
1564 1 82 LEU QD 1 85 GLU HB3 . . 4.000 3.422 2.829 4.052 0.052 5 0 "[ . 1 . 2]" 1
1565 1 82 LEU QD 1 86 GLU H . . 4.340 4.083 3.641 4.314 . 0 0 "[ . 1 . 2]" 1
1566 1 82 LEU QD 1 86 GLU HG3 . . 4.480 3.090 2.476 5.211 0.731 11 1 "[ . 1+ . 2]" 1
1567 1 82 LEU QD 1 112 LEU H . . 5.490 4.560 4.124 5.168 . 0 0 "[ . 1 . 2]" 1
1568 1 82 LEU QD 1 113 ALA H . . 4.250 3.062 2.527 3.855 . 0 0 "[ . 1 . 2]" 1
1569 1 82 LEU QD 1 113 ALA HA . . 3.420 2.348 1.969 3.180 . 0 0 "[ . 1 . 2]" 1
1570 1 82 LEU QD 1 113 ALA MB . . 3.990 2.547 2.023 3.205 . 0 0 "[ . 1 . 2]" 1
1571 1 82 LEU QD 1 116 ARG H . . 5.500 4.227 3.774 4.889 . 0 0 "[ . 1 . 2]" 1
1572 1 82 LEU QD 1 116 ARG HA . . 5.500 4.894 4.107 5.315 . 0 0 "[ . 1 . 2]" 1
1573 1 82 LEU QD 1 116 ARG QB . . 5.240 3.115 2.360 3.504 . 0 0 "[ . 1 . 2]" 1
1574 1 82 LEU QD 1 116 ARG QD . . 4.650 3.520 2.903 3.909 . 0 0 "[ . 1 . 2]" 1
1575 1 82 LEU QD 1 116 ARG HE . . 4.010 2.888 1.925 4.008 . 0 0 "[ . 1 . 2]" 1
1576 1 82 LEU QD 1 116 ARG HG3 . . 4.220 2.442 2.016 3.618 . 0 0 "[ . 1 . 2]" 1
1577 1 83 LEU H 1 83 LEU QB . . 3.420 2.183 1.995 2.387 . 0 0 "[ . 1 . 2]" 1
1578 1 83 LEU H 1 83 LEU QD . . 4.050 3.235 2.097 3.759 . 0 0 "[ . 1 . 2]" 1
1579 1 83 LEU H 1 83 LEU HG . . 3.690 3.140 2.353 3.775 0.085 2 0 "[ . 1 . 2]" 1
1580 1 83 LEU H 1 84 LYS H . . 3.360 2.820 2.125 3.006 . 0 0 "[ . 1 . 2]" 1
1581 1 83 LEU H 1 86 GLU H . . 5.080 4.947 4.814 5.167 0.087 8 0 "[ . 1 . 2]" 1
1582 1 83 LEU H 1 109 ASN HA . . 5.100 3.906 3.315 5.085 . 0 0 "[ . 1 . 2]" 1
1583 1 83 LEU H 1 112 LEU QD . . 4.050 3.174 2.362 3.898 . 0 0 "[ . 1 . 2]" 1
1584 1 83 LEU HA 1 83 LEU QD . . 3.090 2.171 2.025 3.076 . 0 0 "[ . 1 . 2]" 1
1585 1 83 LEU HA 1 83 LEU HG . . 4.210 2.874 2.461 3.743 . 0 0 "[ . 1 . 2]" 1
1586 1 83 LEU HA 1 87 LEU H . . 4.720 3.850 3.106 4.778 0.058 8 0 "[ . 1 . 2]" 1
1587 1 83 LEU HA 1 87 LEU QD . . 4.320 2.514 2.171 3.245 . 0 0 "[ . 1 . 2]" 1
1588 1 83 LEU HA 1 87 LEU HG . . 4.980 3.654 2.049 5.068 0.088 3 0 "[ . 1 . 2]" 1
1589 1 83 LEU HA 1 89 PHE QB . . 4.840 3.859 3.179 4.667 . 0 0 "[ . 1 . 2]" 1
1590 1 83 LEU HA 1 112 LEU QD . . 3.190 2.698 2.325 3.188 . 0 0 "[ . 1 . 2]" 1
1591 1 83 LEU QB 1 84 LYS H . . 3.870 3.054 2.726 3.493 . 0 0 "[ . 1 . 2]" 1
1592 1 83 LEU QB 1 89 PHE H . . 4.830 3.853 3.405 4.273 . 0 0 "[ . 1 . 2]" 1
1593 1 83 LEU QB 1 89 PHE QB . . 4.780 2.701 2.123 3.469 . 0 0 "[ . 1 . 2]" 1
1594 1 83 LEU QB 1 89 PHE QD . . 3.910 2.621 2.004 3.853 . 0 0 "[ . 1 . 2]" 1
1595 1 83 LEU QD 1 84 LYS H . . 5.000 4.243 2.731 4.464 . 0 0 "[ . 1 . 2]" 1
1596 1 83 LEU QD 1 87 LEU QD . . 3.030 2.100 1.937 2.465 . 0 0 "[ . 1 . 2]" 1
1597 1 83 LEU QD 1 89 PHE QB . . 4.110 2.360 1.911 2.937 . 0 0 "[ . 1 . 2]" 1
1598 1 83 LEU QD 1 89 PHE QD . . 3.660 2.201 1.917 2.615 . 0 0 "[ . 1 . 2]" 1
1599 1 83 LEU QD 1 89 PHE QE . . 4.080 3.095 2.591 3.573 . 0 0 "[ . 1 . 2]" 1
1600 1 83 LEU QD 1 108 THR HB . . 3.990 2.209 1.955 2.752 . 0 0 "[ . 1 . 2]" 1
1601 1 83 LEU QD 1 109 ASN H . . 3.970 2.700 2.451 2.980 . 0 0 "[ . 1 . 2]" 1
1602 1 83 LEU QD 1 109 ASN HA . . 4.630 2.876 1.936 3.635 . 0 0 "[ . 1 . 2]" 1
1603 1 83 LEU QD 1 109 ASN HB2 . . 3.670 2.240 2.007 2.533 . 0 0 "[ . 1 . 2]" 1
1604 1 83 LEU QD 1 109 ASN HB3 . . 4.130 3.571 3.268 3.911 . 0 0 "[ . 1 . 2]" 1
1605 1 83 LEU HG 1 89 PHE QD . . 4.980 4.352 2.126 5.053 0.073 18 0 "[ . 1 . 2]" 1
1606 1 83 LEU HG 1 109 ASN HA . . 4.140 2.896 2.285 4.242 0.102 13 0 "[ . 1 . 2]" 1
1607 1 83 LEU HG 1 109 ASN HB2 . . 4.870 3.250 2.462 4.072 . 0 0 "[ . 1 . 2]" 1
1608 1 83 LEU HG 1 109 ASN HB3 . . 5.500 4.714 4.034 5.583 0.083 2 0 "[ . 1 . 2]" 1
1609 1 84 LYS H 1 84 LYS QB . . 3.000 2.669 2.327 3.106 0.106 3 0 "[ . 1 . 2]" 1
1610 1 84 LYS H 1 85 GLU H . . 3.130 2.042 1.847 2.474 . 0 0 "[ . 1 . 2]" 1
1611 1 84 LYS H 1 85 GLU HB2 . . 5.500 4.258 3.403 5.386 . 0 0 "[ . 1 . 2]" 1
1612 1 84 LYS H 1 85 GLU HG3 . . 4.870 4.176 3.663 5.111 0.241 5 0 "[ . 1 . 2]" 1
1613 1 84 LYS H 1 86 GLU H . . 4.240 3.774 3.199 4.293 0.053 11 0 "[ . 1 . 2]" 1
1614 1 84 LYS HA 1 84 LYS QG . . 3.610 2.626 2.182 3.282 . 0 0 "[ . 1 . 2]" 1
1615 1 84 LYS HA 1 88 GLY H . . 3.310 2.261 1.945 2.788 . 0 0 "[ . 1 . 2]" 1
1616 1 84 LYS HA 1 89 PHE H . . 3.320 2.513 1.976 3.128 . 0 0 "[ . 1 . 2]" 1
1617 1 84 LYS HA 1 89 PHE QB . . 4.500 4.071 3.285 4.584 0.084 13 0 "[ . 1 . 2]" 1
1618 1 84 LYS QB 1 84 LYS QD . . 3.340 2.221 2.084 2.413 . 0 0 "[ . 1 . 2]" 1
1619 1 84 LYS QB 1 85 GLU H . . 3.320 2.910 2.386 3.421 0.101 6 0 "[ . 1 . 2]" 1
1620 1 84 LYS QB 1 89 PHE H . . 5.050 3.823 2.610 4.415 . 0 0 "[ . 1 . 2]" 1
1621 1 84 LYS QB 1 89 PHE HA . . 5.160 5.087 4.377 5.259 0.099 17 0 "[ . 1 . 2]" 1
1622 1 84 LYS QB 1 90 ALA HA . . 4.120 3.587 2.206 4.200 0.080 3 0 "[ . 1 . 2]" 1
1623 1 84 LYS QD 1 90 ALA HA . . 4.020 3.283 2.041 4.023 0.003 16 0 "[ . 1 . 2]" 1
1624 1 84 LYS QD 1 90 ALA MB . . 3.640 2.780 1.911 3.630 . 0 0 "[ . 1 . 2]" 1
1625 1 84 LYS QE 1 84 LYS QG . . 3.250 2.250 1.991 2.527 . 0 0 "[ . 1 . 2]" 1
1626 1 84 LYS QG 1 85 GLU H . . 4.300 3.347 2.269 3.827 . 0 0 "[ . 1 . 2]" 1
1627 1 84 LYS QG 1 89 PHE H . . 5.080 4.323 3.713 4.924 . 0 0 "[ . 1 . 2]" 1
1628 1 85 GLU H 1 85 GLU HB2 . . 4.040 2.621 2.007 3.590 . 0 0 "[ . 1 . 2]" 1
1629 1 85 GLU H 1 85 GLU HB3 . . 4.200 3.558 2.206 3.753 . 0 0 "[ . 1 . 2]" 1
1630 1 85 GLU H 1 85 GLU HG2 . . 3.560 3.054 2.018 3.629 0.069 19 0 "[ . 1 . 2]" 1
1631 1 85 GLU H 1 85 GLU HG3 . . 3.520 2.631 2.156 3.629 0.109 8 0 "[ . 1 . 2]" 1
1632 1 85 GLU H 1 86 GLU H . . 3.700 2.889 2.484 3.178 . 0 0 "[ . 1 . 2]" 1
1633 1 85 GLU H 1 87 LEU H . . 5.380 4.463 3.547 5.106 . 0 0 "[ . 1 . 2]" 1
1634 1 85 GLU HA 1 85 GLU HG2 . . 3.420 2.573 2.154 3.669 0.249 5 0 "[ . 1 . 2]" 1
1635 1 85 GLU HA 1 85 GLU HG3 . . 3.610 3.300 2.782 3.703 0.093 18 0 "[ . 1 . 2]" 1
1636 1 85 GLU HB3 1 86 GLU H . . 3.470 3.675 2.695 4.335 0.865 14 4 "[* * . 1 - +. 2]" 1
1637 1 85 GLU HG3 1 86 GLU H . . 4.820 4.484 2.754 4.958 0.138 8 0 "[ . 1 . 2]" 1
1638 1 86 GLU H 1 86 GLU HB2 . . 3.510 2.646 2.185 3.597 0.087 11 0 "[ . 1 . 2]" 1
1639 1 86 GLU H 1 86 GLU HG2 . . 3.430 2.615 2.113 3.498 0.068 12 0 "[ . 1 . 2]" 1
1640 1 86 GLU H 1 86 GLU HG3 . . 4.420 3.465 2.211 4.120 . 0 0 "[ . 1 . 2]" 1
1641 1 86 GLU H 1 87 LEU H . . 3.600 2.339 1.777 2.876 . 0 0 "[ . 1 . 2]" 1
1642 1 86 GLU H 1 87 LEU HG . . 5.340 4.518 3.330 5.440 0.100 14 0 "[ . 1 . 2]" 1
1643 1 86 GLU H 1 88 GLY H . . 5.080 3.931 3.463 4.549 . 0 0 "[ . 1 . 2]" 1
1644 1 86 GLU H 1 112 LEU QD . . 5.500 3.996 3.328 4.576 . 0 0 "[ . 1 . 2]" 1
1645 1 86 GLU HA 1 86 GLU HG2 . . 3.670 3.097 2.262 3.826 0.156 11 0 "[ . 1 . 2]" 1
1646 1 86 GLU HA 1 86 GLU HG3 . . 3.840 3.769 3.208 3.913 0.073 20 0 "[ . 1 . 2]" 1
1647 1 86 GLU HB2 1 87 LEU H . . 3.890 2.552 1.966 3.962 0.072 11 0 "[ . 1 . 2]" 1
1648 1 86 GLU HB2 1 112 LEU QD . . 4.260 2.687 2.104 4.277 0.017 11 0 "[ . 1 . 2]" 1
1649 1 86 GLU HB3 1 87 LEU H . . 3.920 3.587 3.078 4.003 0.083 5 0 "[ . 1 . 2]" 1
1650 1 86 GLU HB3 1 112 LEU QD . . 4.430 3.342 2.423 4.454 0.024 8 0 "[ . 1 . 2]" 1
1651 1 86 GLU HG2 1 87 LEU H . . 4.550 4.114 2.948 4.626 0.076 19 0 "[ . 1 . 2]" 1
1652 1 86 GLU HG2 1 112 LEU QD . . 4.660 3.444 2.529 4.635 . 0 0 "[ . 1 . 2]" 1
1653 1 86 GLU HG3 1 87 LEU H . . 5.170 4.366 2.301 5.234 0.064 6 0 "[ . 1 . 2]" 1
1654 1 86 GLU HG3 1 112 LEU QD . . 3.650 2.545 2.043 3.556 . 0 0 "[ . 1 . 2]" 1
1655 1 87 LEU H 1 87 LEU HB2 . . 3.890 2.709 2.273 3.260 . 0 0 "[ . 1 . 2]" 1
1656 1 87 LEU H 1 87 LEU HB3 . . 3.870 3.667 3.532 3.769 . 0 0 "[ . 1 . 2]" 1
1657 1 87 LEU H 1 87 LEU QD . . 4.220 2.921 2.208 3.427 . 0 0 "[ . 1 . 2]" 1
1658 1 87 LEU H 1 87 LEU HG . . 4.070 2.667 2.003 4.123 0.053 3 0 "[ . 1 . 2]" 1
1659 1 87 LEU H 1 88 GLY H . . 4.070 2.645 2.206 2.943 . 0 0 "[ . 1 . 2]" 1
1660 1 87 LEU H 1 89 PHE H . . 4.700 4.303 3.965 4.706 0.006 5 0 "[ . 1 . 2]" 1
1661 1 87 LEU H 1 112 LEU QD . . 4.990 3.818 3.223 4.578 . 0 0 "[ . 1 . 2]" 1
1662 1 87 LEU HA 1 87 LEU QD . . 3.060 2.476 2.125 2.925 . 0 0 "[ . 1 . 2]" 1
1663 1 87 LEU HA 1 87 LEU HG . . 4.120 3.010 2.092 3.642 . 0 0 "[ . 1 . 2]" 1
1664 1 87 LEU HB2 1 88 GLY H . . 5.180 2.547 2.116 3.164 . 0 0 "[ . 1 . 2]" 1
1665 1 87 LEU HB2 1 89 PHE H . . 4.400 2.731 2.327 3.648 . 0 0 "[ . 1 . 2]" 1
1666 1 87 LEU HB3 1 89 PHE H . . 4.360 3.678 2.942 4.449 0.089 13 0 "[ . 1 . 2]" 1
1667 1 87 LEU QD 1 88 GLY H . . 4.810 3.904 3.563 4.263 . 0 0 "[ . 1 . 2]" 1
1668 1 87 LEU QD 1 89 PHE H . . 5.220 3.810 3.185 4.439 . 0 0 "[ . 1 . 2]" 1
1669 1 87 LEU QD 1 89 PHE QB . . 5.040 3.143 2.493 3.728 . 0 0 "[ . 1 . 2]" 1
1670 1 87 LEU QD 1 112 LEU QD . . 3.190 2.123 1.804 2.624 . 0 0 "[ . 1 . 2]" 1
1671 1 88 GLY H 1 89 PHE H . . 3.430 2.262 1.861 2.802 . 0 0 "[ . 1 . 2]" 1
1672 1 89 PHE H 1 89 PHE QB . . 3.270 2.267 2.104 2.501 . 0 0 "[ . 1 . 2]" 1
1673 1 89 PHE H 1 89 PHE QD . . 4.610 4.187 3.843 4.354 . 0 0 "[ . 1 . 2]" 1
1674 1 89 PHE H 1 90 ALA H . . 4.720 4.322 2.287 4.666 . 0 0 "[ . 1 . 2]" 1
1675 1 89 PHE HA 1 89 PHE QD . . 3.750 2.640 2.325 3.137 . 0 0 "[ . 1 . 2]" 1
1676 1 89 PHE HA 1 90 ALA H . . 3.240 2.514 2.092 3.332 0.092 14 0 "[ . 1 . 2]" 1
1677 1 89 PHE QB 1 90 ALA H . . 4.530 3.389 2.886 3.896 . 0 0 "[ . 1 . 2]" 1
1678 1 89 PHE QB 1 90 ALA MB . . 4.810 4.809 4.662 4.930 0.120 6 0 "[ . 1 . 2]" 1
1679 1 89 PHE QD 1 90 ALA H . . 4.180 2.950 2.512 3.412 . 0 0 "[ . 1 . 2]" 1
1680 1 89 PHE QD 1 90 ALA HA . . 5.070 4.039 3.253 4.566 . 0 0 "[ . 1 . 2]" 1
1681 1 89 PHE QD 1 90 ALA MB . . 4.720 4.474 4.325 4.696 . 0 0 "[ . 1 . 2]" 1
1682 1 89 PHE QD 1 91 GLY QA . . 5.260 4.034 3.460 4.517 . 0 0 "[ . 1 . 2]" 1
1683 1 89 PHE QE 1 90 ALA HA . . 5.410 4.934 4.081 5.503 0.093 15 0 "[ . 1 . 2]" 1
1684 1 89 PHE QE 1 90 ALA MB . . 4.920 4.914 4.532 5.043 0.123 10 0 "[ . 1 . 2]" 1
1685 1 89 PHE QE 1 91 GLY QA . . 4.200 2.768 2.252 3.174 . 0 0 "[ . 1 . 2]" 1
1686 1 89 PHE QE 1 92 TYR H . . 4.240 3.878 2.636 4.306 0.066 16 0 "[ . 1 . 2]" 1
1687 1 89 PHE QE 1 92 TYR HA . . 4.550 3.684 2.765 4.640 0.090 7 0 "[ . 1 . 2]" 1
1688 1 89 PHE QE 1 105 ALA MB . . 4.110 2.745 2.137 3.875 . 0 0 "[ . 1 . 2]" 1
1689 1 89 PHE HZ 1 92 TYR H . . 4.820 3.252 2.732 4.657 . 0 0 "[ . 1 . 2]" 1
1690 1 89 PHE HZ 1 92 TYR QD . . 4.290 3.079 2.518 3.487 . 0 0 "[ . 1 . 2]" 1
1691 1 89 PHE HZ 1 92 TYR QE . . 4.150 3.121 2.647 3.600 . 0 0 "[ . 1 . 2]" 1
1692 1 89 PHE HZ 1 105 ALA MB . . 5.000 3.594 2.489 4.765 . 0 0 "[ . 1 . 2]" 1
1693 1 90 ALA H 1 90 ALA MB . . 2.880 2.684 2.316 2.991 0.111 15 0 "[ . 1 . 2]" 1
1694 1 90 ALA H 1 91 GLY QA . . 4.950 4.012 3.610 4.798 . 0 0 "[ . 1 . 2]" 1
1695 1 90 ALA MB 1 91 GLY QA . . 3.860 3.606 3.422 3.775 . 0 0 "[ . 1 . 2]" 1
1696 1 91 GLY QA 1 92 TYR H . . 3.280 2.336 2.162 2.913 . 0 0 "[ . 1 . 2]" 1
1697 1 91 GLY QA 1 92 TYR QD . . 4.410 3.705 3.309 3.965 . 0 0 "[ . 1 . 2]" 1
1698 1 92 TYR H 1 92 TYR QB . . 3.380 2.430 2.288 2.599 . 0 0 "[ . 1 . 2]" 1
1699 1 92 TYR H 1 92 TYR QD . . 3.380 2.462 2.207 2.796 . 0 0 "[ . 1 . 2]" 1
1700 1 92 TYR H 1 92 TYR QE . . 4.260 4.268 3.807 4.362 0.102 7 0 "[ . 1 . 2]" 1
1701 1 92 TYR H 1 93 SER H . . 4.960 4.585 4.168 4.729 . 0 0 "[ . 1 . 2]" 1
1702 1 92 TYR H 1 97 LEU QD . . 4.890 3.687 3.078 4.921 0.031 7 0 "[ . 1 . 2]" 1
1703 1 92 TYR HA 1 92 TYR QD . . 3.050 2.698 2.162 3.088 0.038 11 0 "[ . 1 . 2]" 1
1704 1 92 TYR HA 1 93 SER H . . 3.360 2.268 2.109 2.501 . 0 0 "[ . 1 . 2]" 1
1705 1 92 TYR HA 1 97 LEU QD . . 4.690 4.657 4.223 4.810 0.120 14 0 "[ . 1 . 2]" 1
1706 1 92 TYR QB 1 93 SER H . . 4.230 2.875 2.317 3.714 . 0 0 "[ . 1 . 2]" 1
1707 1 92 TYR QB 1 96 GLU QB . . 3.970 2.877 2.220 3.388 . 0 0 "[ . 1 . 2]" 1
1708 1 92 TYR QB 1 97 LEU HA . . 4.630 2.971 2.409 3.717 . 0 0 "[ . 1 . 2]" 1
1709 1 92 TYR QB 1 97 LEU QD . . 4.690 2.422 2.140 2.676 . 0 0 "[ . 1 . 2]" 1
1710 1 92 TYR QB 1 97 LEU HG . . 5.230 2.587 2.077 3.347 . 0 0 "[ . 1 . 2]" 1
1711 1 92 TYR QB 1 101 LYS HD2 . . 5.160 4.550 3.209 5.923 0.763 10 2 "[ . + .- 2]" 1
1712 1 92 TYR QB 1 102 THR MG . . 4.800 3.654 3.048 4.400 . 0 0 "[ . 1 . 2]" 1
1713 1 92 TYR QD 1 93 SER H . . 4.040 3.890 3.556 4.142 0.102 10 0 "[ . 1 . 2]" 1
1714 1 92 TYR QD 1 96 GLU QB . . 4.020 3.442 2.390 4.147 0.127 11 0 "[ . 1 . 2]" 1
1715 1 92 TYR QD 1 97 LEU QD . . 3.600 3.100 2.287 3.613 0.013 17 0 "[ . 1 . 2]" 1
1716 1 92 TYR QD 1 101 LYS HD2 . . 5.500 4.334 3.038 5.372 . 0 0 "[ . 1 . 2]" 1
1717 1 92 TYR QD 1 101 LYS HD3 . . 5.270 3.174 2.581 4.584 . 0 0 "[ . 1 . 2]" 1
1718 1 92 TYR QD 1 102 THR HA . . 4.470 3.337 2.560 4.550 0.080 15 0 "[ . 1 . 2]" 1
1719 1 92 TYR QD 1 102 THR MG . . 3.700 3.112 2.117 3.826 0.126 11 0 "[ . 1 . 2]" 1
1720 1 92 TYR QD 1 105 ALA MB . . 3.680 3.642 3.181 3.816 0.136 16 0 "[ . 1 . 2]" 1
1721 1 92 TYR QE 1 101 LYS QE . . 4.040 2.995 2.059 4.135 0.095 11 0 "[ . 1 . 2]" 1
1722 1 92 TYR QE 1 102 THR HA . . 3.900 3.037 2.061 3.969 0.069 2 0 "[ . 1 . 2]" 1
1723 1 92 TYR QE 1 102 THR MG . . 5.310 4.078 3.063 4.892 . 0 0 "[ . 1 . 2]" 1
1724 1 92 TYR QE 1 105 ALA H . . 4.030 3.389 2.856 4.127 0.097 15 0 "[ . 1 . 2]" 1
1725 1 92 TYR QE 1 105 ALA HA . . 4.470 4.280 3.952 4.554 0.084 20 0 "[ . 1 . 2]" 1
1726 1 92 TYR QE 1 105 ALA MB . . 3.010 2.181 1.961 2.624 . 0 0 "[ . 1 . 2]" 1
1727 1 93 SER H 1 93 SER QB . . 3.550 2.498 2.094 2.842 . 0 0 "[ . 1 . 2]" 1
1728 1 93 SER H 1 94 ILE H . . 4.520 4.557 4.457 4.601 0.081 3 0 "[ . 1 . 2]" 1
1729 1 93 SER H 1 96 GLU H . . 5.120 4.268 3.788 4.796 . 0 0 "[ . 1 . 2]" 1
1730 1 93 SER H 1 96 GLU QB . . 4.480 3.077 2.169 4.534 0.054 18 0 "[ . 1 . 2]" 1
1731 1 93 SER HA 1 94 ILE H . . 2.770 2.334 2.232 2.427 . 0 0 "[ . 1 . 2]" 1
1732 1 93 SER HA 1 94 ILE HB . . 4.600 4.592 4.346 4.671 0.071 7 0 "[ . 1 . 2]" 1
1733 1 93 SER HA 1 94 ILE MG . . 4.130 4.021 3.850 4.177 0.047 1 0 "[ . 1 . 2]" 1
1734 1 93 SER HA 1 95 ASN H . . 4.500 4.425 4.157 4.567 0.067 2 0 "[ . 1 . 2]" 1
1735 1 93 SER QB 1 94 ILE H . . 3.460 2.517 2.204 3.057 . 0 0 "[ . 1 . 2]" 1
1736 1 93 SER QB 1 94 ILE MG . . 4.810 3.298 2.902 3.731 . 0 0 "[ . 1 . 2]" 1
1737 1 93 SER QB 1 95 ASN H . . 4.080 2.757 2.414 3.087 . 0 0 "[ . 1 . 2]" 1
1738 1 93 SER QB 1 96 GLU H . . 4.680 3.022 2.585 3.354 . 0 0 "[ . 1 . 2]" 1
1739 1 93 SER QB 1 96 GLU QB . . 4.410 3.152 2.315 4.125 . 0 0 "[ . 1 . 2]" 1
1740 1 93 SER QB 1 96 GLU HG2 . . 4.720 3.232 2.068 5.050 0.330 14 0 "[ . 1 . 2]" 1
1741 1 94 ILE H 1 94 ILE HB . . 2.890 2.611 2.450 2.817 . 0 0 "[ . 1 . 2]" 1
1742 1 94 ILE H 1 94 ILE MD . . 4.250 4.201 4.096 4.325 0.075 4 0 "[ . 1 . 2]" 1
1743 1 94 ILE H 1 94 ILE MG . . 3.090 2.027 1.813 2.134 . 0 0 "[ . 1 . 2]" 1
1744 1 94 ILE H 1 95 ASN H . . 3.600 2.759 2.543 3.014 . 0 0 "[ . 1 . 2]" 1
1745 1 94 ILE H 1 96 GLU H . . 5.500 4.088 3.865 4.362 . 0 0 "[ . 1 . 2]" 1
1746 1 94 ILE HA 1 94 ILE HB . . 2.900 2.382 2.341 2.423 . 0 0 "[ . 1 . 2]" 1
1747 1 94 ILE HA 1 94 ILE MD . . 3.160 2.149 2.070 2.234 . 0 0 "[ . 1 . 2]" 1
1748 1 94 ILE HA 1 94 ILE HG12 . . 3.830 3.751 3.708 3.793 . 0 0 "[ . 1 . 2]" 1
1749 1 94 ILE HA 1 94 ILE HG13 . . 3.570 3.139 2.979 3.263 . 0 0 "[ . 1 . 2]" 1
1750 1 94 ILE HA 1 94 ILE MG . . 3.130 3.237 3.230 3.243 0.113 14 0 "[ . 1 . 2]" 1
1751 1 94 ILE HA 1 95 ASN H . . 3.480 3.509 3.478 3.536 0.056 3 0 "[ . 1 . 2]" 1
1752 1 94 ILE HA 1 96 GLU H . . 4.260 3.774 3.575 4.096 . 0 0 "[ . 1 . 2]" 1
1753 1 94 ILE HA 1 97 LEU H . . 4.240 3.447 3.167 3.838 . 0 0 "[ . 1 . 2]" 1
1754 1 94 ILE HA 1 97 LEU HG . . 3.440 3.311 2.555 3.512 0.072 17 0 "[ . 1 . 2]" 1
1755 1 94 ILE HB 1 94 ILE MD . . 3.330 2.401 2.293 2.457 . 0 0 "[ . 1 . 2]" 1
1756 1 94 ILE HB 1 95 ASN H . . 3.960 3.992 3.839 4.037 0.077 17 0 "[ . 1 . 2]" 1
1757 1 94 ILE MD 1 95 ASN H . . 4.480 4.514 4.398 4.569 0.089 18 0 "[ . 1 . 2]" 1
1758 1 94 ILE MD 1 96 GLU H . . 5.180 4.946 4.612 5.243 0.063 17 0 "[ . 1 . 2]" 1
1759 1 94 ILE MD 1 97 LEU H . . 4.390 4.069 3.758 4.386 . 0 0 "[ . 1 . 2]" 1
1760 1 94 ILE MD 1 97 LEU HB2 . . 3.480 2.735 2.472 3.036 . 0 0 "[ . 1 . 2]" 1
1761 1 94 ILE MD 1 97 LEU HB3 . . 3.380 3.394 3.135 3.477 0.097 10 0 "[ . 1 . 2]" 1
1762 1 94 ILE HG12 1 94 ILE MG . . 2.920 2.301 2.263 2.378 . 0 0 "[ . 1 . 2]" 1
1763 1 94 ILE HG12 1 95 ASN H . . 4.910 4.777 4.498 4.951 0.041 16 0 "[ . 1 . 2]" 1
1764 1 94 ILE HG12 1 95 ASN HA . . 5.220 5.291 5.280 5.303 0.083 12 0 "[ . 1 . 2]" 1
1765 1 94 ILE HG13 1 94 ILE MG . . 3.230 2.441 2.343 2.536 . 0 0 "[ . 1 . 2]" 1
1766 1 94 ILE HG13 1 95 ASN H . . 4.440 3.806 3.643 4.012 . 0 0 "[ . 1 . 2]" 1
1767 1 94 ILE MG 1 95 ASN H . . 3.260 2.188 2.001 2.295 . 0 0 "[ . 1 . 2]" 1
1768 1 94 ILE MG 1 95 ASN HA . . 3.910 3.495 3.284 3.681 . 0 0 "[ . 1 . 2]" 1
1769 1 94 ILE MG 1 95 ASN HB2 . . 4.800 4.339 3.754 4.675 . 0 0 "[ . 1 . 2]" 1
1770 1 94 ILE MG 1 95 ASN HB3 . . 4.410 3.881 2.925 4.692 0.282 10 0 "[ . 1 . 2]" 1
1771 1 94 ILE MG 1 95 ASN QD . . 4.710 3.425 2.598 4.446 . 0 0 "[ . 1 . 2]" 1
1772 1 95 ASN H 1 95 ASN HB3 . . 3.290 3.168 2.516 3.710 0.420 17 0 "[ . 1 . 2]" 1
1773 1 95 ASN H 1 95 ASN QD . . 4.610 3.083 2.380 3.813 . 0 0 "[ . 1 . 2]" 1
1774 1 95 ASN H 1 96 GLU H . . 3.300 2.693 2.485 2.774 . 0 0 "[ . 1 . 2]" 1
1775 1 95 ASN H 1 96 GLU HA . . 5.310 5.333 5.220 5.385 0.075 11 0 "[ . 1 . 2]" 1
1776 1 95 ASN H 1 97 LEU H . . 4.680 4.210 3.728 4.521 . 0 0 "[ . 1 . 2]" 1
1777 1 95 ASN HA 1 95 ASN HB2 . . 2.960 2.775 2.399 3.064 0.104 13 0 "[ . 1 . 2]" 1
1778 1 95 ASN HA 1 96 GLU H . . 3.420 3.414 3.269 3.483 0.063 14 0 "[ . 1 . 2]" 1
1779 1 95 ASN HA 1 97 LEU H . . 4.480 4.012 3.731 4.179 . 0 0 "[ . 1 . 2]" 1
1780 1 95 ASN HB2 1 96 GLU H . . 4.160 3.701 3.144 4.235 0.075 15 0 "[ . 1 . 2]" 1
1781 1 95 ASN HB3 1 96 GLU H . . 4.430 4.297 4.082 4.486 0.056 6 0 "[ . 1 . 2]" 1
1782 1 95 ASN QD 1 96 GLU H . . 5.500 4.472 3.885 5.250 . 0 0 "[ . 1 . 2]" 1
1783 1 95 ASN QD 1 96 GLU HG2 . . 5.500 4.194 2.970 6.032 0.532 13 2 "[ . 1 + . -]" 1
1784 1 96 GLU H 1 96 GLU QB . . 3.280 2.538 2.151 3.177 . 0 0 "[ . 1 . 2]" 1
1785 1 96 GLU H 1 96 GLU HG2 . . 3.870 2.943 1.887 3.914 0.044 9 0 "[ . 1 . 2]" 1
1786 1 96 GLU H 1 96 GLU HG3 . . 3.840 3.454 2.523 3.916 0.076 16 0 "[ . 1 . 2]" 1
1787 1 96 GLU H 1 97 LEU H . . 3.190 2.250 2.053 2.606 . 0 0 "[ . 1 . 2]" 1
1788 1 96 GLU H 1 97 LEU HA . . 5.190 4.456 4.252 4.796 . 0 0 "[ . 1 . 2]" 1
1789 1 96 GLU H 1 97 LEU HB2 . . 4.660 3.758 3.399 3.856 . 0 0 "[ . 1 . 2]" 1
1790 1 96 GLU H 1 97 LEU HB3 . . 5.280 5.294 4.942 5.360 0.080 16 0 "[ . 1 . 2]" 1
1791 1 96 GLU H 1 97 LEU HG . . 5.130 4.360 3.867 4.782 . 0 0 "[ . 1 . 2]" 1
1792 1 96 GLU HA 1 96 GLU HG2 . . 3.350 2.932 2.302 3.454 0.104 18 0 "[ . 1 . 2]" 1
1793 1 96 GLU HA 1 96 GLU HG3 . . 4.150 3.654 3.009 3.983 . 0 0 "[ . 1 . 2]" 1
1794 1 96 GLU HA 1 97 LEU H . . 3.460 3.335 3.226 3.451 . 0 0 "[ . 1 . 2]" 1
1795 1 96 GLU HA 1 98 VAL MG1 . . 4.150 3.400 2.779 3.805 . 0 0 "[ . 1 . 2]" 1
1796 1 96 GLU QB 1 97 LEU H . . 4.210 3.597 3.334 4.019 . 0 0 "[ . 1 . 2]" 1
1797 1 96 GLU QB 1 101 LYS QE . . 4.600 2.534 2.005 3.244 . 0 0 "[ . 1 . 2]" 1
1798 1 96 GLU HG3 1 101 LYS QE . . 4.670 4.332 3.400 5.082 0.412 13 0 "[ . 1 . 2]" 1
1799 1 97 LEU H 1 97 LEU HB2 . . 3.320 2.070 1.973 2.186 . 0 0 "[ . 1 . 2]" 1
1800 1 97 LEU H 1 97 LEU HB3 . . 3.260 3.280 2.996 3.354 0.094 10 0 "[ . 1 . 2]" 1
1801 1 97 LEU H 1 97 LEU HG . . 3.540 3.441 3.148 3.622 0.082 19 0 "[ . 1 . 2]" 1
1802 1 97 LEU HA 1 97 LEU QD . . 3.420 2.074 2.006 2.182 . 0 0 "[ . 1 . 2]" 1
1803 1 97 LEU HA 1 97 LEU HG . . 3.300 2.617 2.410 2.871 . 0 0 "[ . 1 . 2]" 1
1804 1 97 LEU HA 1 98 VAL H . . 2.850 2.311 2.128 2.603 . 0 0 "[ . 1 . 2]" 1
1805 1 97 LEU HA 1 98 VAL MG1 . . 4.100 4.112 3.822 4.216 0.116 1 0 "[ . 1 . 2]" 1
1806 1 97 LEU HA 1 98 VAL MG2 . . 3.860 3.909 3.769 3.965 0.105 12 0 "[ . 1 . 2]" 1
1807 1 97 LEU HA 1 102 THR H . . 5.230 4.886 4.138 5.209 . 0 0 "[ . 1 . 2]" 1
1808 1 97 LEU HA 1 102 THR MG . . 4.310 3.234 2.352 3.587 . 0 0 "[ . 1 . 2]" 1
1809 1 97 LEU QD 1 102 THR MG . . 3.480 1.958 1.868 2.069 . 0 0 "[ . 1 . 2]" 1
1810 1 98 VAL H 1 98 VAL HB . . 3.910 3.698 3.545 3.886 . 0 0 "[ . 1 . 2]" 1
1811 1 98 VAL H 1 98 VAL MG1 . . 3.530 2.626 2.024 3.152 . 0 0 "[ . 1 . 2]" 1
1812 1 98 VAL H 1 98 VAL MG2 . . 2.960 2.069 1.839 2.398 . 0 0 "[ . 1 . 2]" 1
1813 1 98 VAL H 1 101 LYS H . . 4.560 3.942 3.490 4.320 . 0 0 "[ . 1 . 2]" 1
1814 1 98 VAL H 1 101 LYS HB2 . . 5.100 3.643 2.352 5.472 0.372 1 0 "[ . 1 . 2]" 1
1815 1 98 VAL H 1 101 LYS HB3 . . 5.430 4.228 3.704 4.684 . 0 0 "[ . 1 . 2]" 1
1816 1 98 VAL H 1 101 LYS HD2 . . 4.990 3.632 2.667 4.764 . 0 0 "[ . 1 . 2]" 1
1817 1 98 VAL H 1 102 THR H . . 4.610 4.045 3.404 4.639 0.029 14 0 "[ . 1 . 2]" 1
1818 1 98 VAL H 1 102 THR MG . . 4.010 3.482 2.911 4.110 0.100 19 0 "[ . 1 . 2]" 1
1819 1 98 VAL HA 1 98 VAL MG1 . . 3.030 2.310 2.224 2.405 . 0 0 "[ . 1 . 2]" 1
1820 1 98 VAL HA 1 98 VAL MG2 . . 3.540 3.276 3.247 3.303 . 0 0 "[ . 1 . 2]" 1
1821 1 98 VAL HA 1 99 PRO QD . . 3.700 2.173 2.070 2.268 . 0 0 "[ . 1 . 2]" 1
1822 1 98 VAL HA 1 99 PRO QG . . 4.840 4.096 4.005 4.186 . 0 0 "[ . 1 . 2]" 1
1823 1 98 VAL HA 1 100 ARG H . . 4.520 4.025 3.812 4.170 . 0 0 "[ . 1 . 2]" 1
1824 1 98 VAL HB 1 99 PRO QD . . 3.420 2.241 2.071 2.515 . 0 0 "[ . 1 . 2]" 1
1825 1 98 VAL HB 1 100 ARG H . . 4.760 2.593 2.495 2.677 . 0 0 "[ . 1 . 2]" 1
1826 1 98 VAL HB 1 101 LYS H . . 4.640 3.986 3.713 4.381 . 0 0 "[ . 1 . 2]" 1
1827 1 98 VAL HB 1 101 LYS QG . . 5.410 4.840 4.192 5.261 . 0 0 "[ . 1 . 2]" 1
1828 1 98 VAL MG1 1 99 PRO QD . . 3.670 3.143 2.937 3.376 . 0 0 "[ . 1 . 2]" 1
1829 1 98 VAL MG1 1 100 ARG H . . 4.060 4.170 4.154 4.184 0.124 14 0 "[ . 1 . 2]" 1
1830 1 98 VAL MG1 1 101 LYS QE . . 4.850 4.872 3.964 4.977 0.127 20 0 "[ . 1 . 2]" 1
1831 1 98 VAL MG2 1 100 ARG H . . 3.670 2.437 2.076 2.854 . 0 0 "[ . 1 . 2]" 1
1832 1 98 VAL MG2 1 100 ARG QD . . 5.340 3.991 3.115 5.162 . 0 0 "[ . 1 . 2]" 1
1833 1 98 VAL MG2 1 101 LYS H . . 3.190 1.995 1.623 2.436 . 0 0 "[ . 1 . 2]" 1
1834 1 98 VAL MG2 1 101 LYS HB2 . . 4.040 2.668 2.031 4.131 0.091 10 0 "[ . 1 . 2]" 1
1835 1 98 VAL MG2 1 101 LYS HB3 . . 3.390 3.124 2.142 3.704 0.314 13 0 "[ . 1 . 2]" 1
1836 1 98 VAL MG2 1 101 LYS HD2 . . 4.540 2.399 1.998 4.169 . 0 0 "[ . 1 . 2]" 1
1837 1 98 VAL MG2 1 101 LYS QE . . 3.930 3.724 2.289 4.023 0.093 20 0 "[ . 1 . 2]" 1
1838 1 98 VAL MG2 1 101 LYS QG . . 3.520 2.341 1.844 2.696 . 0 0 "[ . 1 . 2]" 1
1839 1 98 VAL MG2 1 102 THR H . . 4.060 3.566 3.233 3.795 . 0 0 "[ . 1 . 2]" 1
1840 1 99 PRO HA 1 101 LYS H . . 4.900 3.961 3.420 4.969 0.069 17 0 "[ . 1 . 2]" 1
1841 1 99 PRO HA 1 102 THR H . . 4.280 3.544 3.274 3.909 . 0 0 "[ . 1 . 2]" 1
1842 1 99 PRO HA 1 102 THR MG . . 4.610 3.637 3.087 4.528 . 0 0 "[ . 1 . 2]" 1
1843 1 99 PRO HA 1 103 ARG H . . 4.120 3.798 3.308 4.181 0.061 11 0 "[ . 1 . 2]" 1
1844 1 99 PRO HB3 1 100 ARG H . . 4.580 4.439 4.194 4.580 . 11 0 "[ . 1 . 2]" 1
1845 1 100 ARG H 1 100 ARG HB2 . . 3.500 2.386 2.138 2.597 . 0 0 "[ . 1 . 2]" 1
1846 1 100 ARG H 1 100 ARG HB3 . . 3.850 3.498 2.089 3.706 . 0 0 "[ . 1 . 2]" 1
1847 1 100 ARG H 1 100 ARG QD . . 5.040 4.036 2.986 4.628 . 0 0 "[ . 1 . 2]" 1
1848 1 100 ARG H 1 100 ARG QG . . 3.970 2.795 2.212 3.747 . 0 0 "[ . 1 . 2]" 1
1849 1 100 ARG H 1 101 LYS H . . 3.080 2.653 2.367 2.959 . 0 0 "[ . 1 . 2]" 1
1850 1 100 ARG H 1 102 THR H . . 5.080 4.297 4.008 4.577 . 0 0 "[ . 1 . 2]" 1
1851 1 100 ARG HA 1 103 ARG H . . 4.650 4.437 4.032 4.742 0.092 20 0 "[ . 1 . 2]" 1
1852 1 100 ARG HB2 1 101 LYS H . . 4.760 3.422 2.175 4.259 . 0 0 "[ . 1 . 2]" 1
1853 1 100 ARG HB3 1 100 ARG HE . . 5.500 3.852 2.215 5.017 . 0 0 "[ . 1 . 2]" 1
1854 1 100 ARG HB3 1 101 LYS H . . 5.130 3.882 2.990 4.389 . 0 0 "[ . 1 . 2]" 1
1855 1 100 ARG QG 1 101 LYS H . . 5.390 4.398 3.600 4.738 . 0 0 "[ . 1 . 2]" 1
1856 1 101 LYS H 1 101 LYS HB3 . . 3.770 3.254 2.336 3.657 . 0 0 "[ . 1 . 2]" 1
1857 1 101 LYS H 1 101 LYS HD3 . . 4.730 4.828 4.060 5.380 0.650 8 2 "[ - . + 1 . 2]" 1
1858 1 101 LYS H 1 101 LYS QG . . 4.860 2.973 2.341 3.547 . 0 0 "[ . 1 . 2]" 1
1859 1 101 LYS H 1 102 THR H . . 3.270 2.286 1.833 2.947 . 0 0 "[ . 1 . 2]" 1
1860 1 101 LYS H 1 102 THR MG . . 4.610 3.994 3.682 4.668 0.058 17 0 "[ . 1 . 2]" 1
1861 1 101 LYS H 1 103 ARG H . . 4.950 3.978 3.232 5.005 0.055 17 0 "[ . 1 . 2]" 1
1862 1 101 LYS HA 1 101 LYS QG . . 3.890 2.673 2.205 3.583 . 0 0 "[ . 1 . 2]" 1
1863 1 101 LYS HA 1 104 ARG H . . 4.050 3.450 3.020 3.872 . 0 0 "[ . 1 . 2]" 1
1864 1 101 LYS HA 1 105 ALA H . . 4.670 4.443 3.917 4.755 0.085 3 0 "[ . 1 . 2]" 1
1865 1 101 LYS HB3 1 101 LYS HD3 . . 3.020 2.832 2.318 3.726 0.706 7 4 "[- . + 1 . * *]" 1
1866 1 101 LYS HB3 1 101 LYS QE . . 3.980 3.577 2.454 4.063 0.083 17 0 "[ . 1 . 2]" 1
1867 1 101 LYS HB3 1 102 THR H . . 3.880 3.537 3.223 3.971 0.091 11 0 "[ . 1 . 2]" 1
1868 1 101 LYS QG 1 102 THR H . . 5.220 3.725 2.102 4.515 . 0 0 "[ . 1 . 2]" 1
1869 1 102 THR H 1 102 THR HB . . 3.750 3.568 3.486 3.665 . 0 0 "[ . 1 . 2]" 1
1870 1 102 THR H 1 102 THR MG . . 3.250 2.266 2.133 2.583 . 0 0 "[ . 1 . 2]" 1
1871 1 102 THR H 1 103 ARG H . . 3.450 2.898 2.750 3.094 . 0 0 "[ . 1 . 2]" 1
1872 1 102 THR HA 1 102 THR MG . . 3.390 2.287 2.152 2.352 . 0 0 "[ . 1 . 2]" 1
1873 1 102 THR HA 1 105 ALA H . . 3.830 3.539 3.227 3.847 0.017 17 0 "[ . 1 . 2]" 1
1874 1 102 THR HA 1 105 ALA MB . . 3.330 2.980 2.544 3.399 0.069 17 0 "[ . 1 . 2]" 1
1875 1 102 THR HB 1 103 ARG H . . 3.700 3.453 2.982 3.763 0.063 15 0 "[ . 1 . 2]" 1
1876 1 102 THR MG 1 103 ARG H . . 4.300 4.004 3.810 4.337 0.037 12 0 "[ . 1 . 2]" 1
1877 1 102 THR MG 1 105 ALA MB . . 4.580 4.221 3.793 4.638 0.058 8 0 "[ . 1 . 2]" 1
1878 1 103 ARG H 1 103 ARG HB2 . . 3.380 2.618 2.170 3.650 0.270 9 0 "[ . 1 . 2]" 1
1879 1 103 ARG H 1 103 ARG HD2 . . 4.790 3.936 2.035 4.830 0.040 15 0 "[ . 1 . 2]" 1
1880 1 103 ARG H 1 103 ARG HD3 . . 5.090 4.241 1.987 4.845 . 0 0 "[ . 1 . 2]" 1
1881 1 103 ARG H 1 104 ARG H . . 3.750 2.870 2.586 3.096 . 0 0 "[ . 1 . 2]" 1
1882 1 103 ARG H 1 105 ALA H . . 4.670 4.404 4.085 4.711 0.041 3 0 "[ . 1 . 2]" 1
1883 1 103 ARG HA 1 106 THR H . . 4.370 3.511 3.007 4.399 0.029 4 0 "[ . 1 . 2]" 1
1884 1 104 ARG H 1 104 ARG QD . . 4.890 3.842 2.528 4.679 . 0 0 "[ . 1 . 2]" 1
1885 1 104 ARG H 1 104 ARG QG . . 4.890 2.991 1.828 3.985 . 0 0 "[ . 1 . 2]" 1
1886 1 104 ARG H 1 105 ALA H . . 3.760 2.766 2.453 3.126 . 0 0 "[ . 1 . 2]" 1
1887 1 104 ARG H 1 105 ALA MB . . 4.650 4.432 4.134 4.687 0.037 5 0 "[ . 1 . 2]" 1
1888 1 104 ARG HA 1 107 MET H . . 4.380 3.456 3.037 3.907 . 0 0 "[ . 1 . 2]" 1
1889 1 104 ARG HA 1 107 MET ME . . 4.430 3.463 2.607 4.138 . 0 0 "[ . 1 . 2]" 1
1890 1 104 ARG HA 1 107 MET QG . . 5.150 3.044 2.011 4.076 . 0 0 "[ . 1 . 2]" 1
1891 1 104 ARG QG 1 105 ALA H . . 5.350 4.084 2.272 4.861 . 0 0 "[ . 1 . 2]" 1
1892 1 105 ALA H 1 105 ALA MB . . 3.050 2.245 2.110 2.333 . 0 0 "[ . 1 . 2]" 1
1893 1 105 ALA H 1 106 THR H . . 3.470 2.861 2.310 3.109 . 0 0 "[ . 1 . 2]" 1
1894 1 105 ALA HA 1 108 THR H . . 4.190 3.332 2.928 3.622 . 0 0 "[ . 1 . 2]" 1
1895 1 105 ALA HA 1 108 THR HB . . 3.740 3.040 2.232 3.836 0.096 10 0 "[ . 1 . 2]" 1
1896 1 105 ALA HA 1 108 THR MG . . 4.620 4.067 3.684 4.600 . 0 0 "[ . 1 . 2]" 1
1897 1 105 ALA MB 1 106 THR H . . 3.480 2.731 2.380 3.112 . 0 0 "[ . 1 . 2]" 1
1898 1 105 ALA MB 1 108 THR H . . 4.670 4.578 4.370 4.768 0.098 4 0 "[ . 1 . 2]" 1
1899 1 105 ALA MB 1 108 THR HB . . 5.270 4.203 3.598 4.947 . 0 0 "[ . 1 . 2]" 1
1900 1 105 ALA MB 1 109 ASN HB2 . . 5.490 4.860 4.062 5.562 0.072 4 0 "[ . 1 . 2]" 1
1901 1 106 THR H 1 106 THR HB . . 3.100 2.545 2.184 2.758 . 0 0 "[ . 1 . 2]" 1
1902 1 106 THR H 1 106 THR MG . . 4.210 3.703 3.606 3.775 . 0 0 "[ . 1 . 2]" 1
1903 1 106 THR H 1 107 MET H . . 3.590 2.862 2.522 3.011 . 0 0 "[ . 1 . 2]" 1
1904 1 106 THR H 1 107 MET QG . . 5.160 4.501 3.714 5.060 . 0 0 "[ . 1 . 2]" 1
1905 1 106 THR HA 1 106 THR MG . . 3.320 2.425 2.181 2.644 . 0 0 "[ . 1 . 2]" 1
1906 1 106 THR HA 1 109 ASN H . . 4.010 3.822 3.515 4.074 0.064 3 0 "[ . 1 . 2]" 1
1907 1 106 THR HA 1 109 ASN HB2 . . 4.200 4.005 3.002 4.280 0.080 3 0 "[ . 1 . 2]" 1
1908 1 106 THR HA 1 109 ASN HB3 . . 4.040 3.766 2.771 4.122 0.082 20 0 "[ . 1 . 2]" 1
1909 1 106 THR HA 1 110 TRP H . . 5.270 4.870 4.569 5.342 0.072 11 0 "[ . 1 . 2]" 1
1910 1 106 THR HB 1 107 MET H . . 3.680 2.635 2.317 2.915 . 0 0 "[ . 1 . 2]" 1
1911 1 106 THR MG 1 107 MET H . . 3.800 3.571 2.925 3.875 0.075 17 0 "[ . 1 . 2]" 1
1912 1 106 THR MG 1 107 MET HA . . 5.190 3.703 3.071 4.107 . 0 0 "[ . 1 . 2]" 1
1913 1 106 THR MG 1 109 ASN HB2 . . 5.500 5.312 4.313 5.597 0.097 1 0 "[ . 1 . 2]" 1
1914 1 107 MET H 1 107 MET QB . . 3.810 2.515 2.224 2.862 . 0 0 "[ . 1 . 2]" 1
1915 1 107 MET H 1 107 MET ME . . 4.580 4.257 3.769 4.665 0.085 8 0 "[ . 1 . 2]" 1
1916 1 107 MET H 1 107 MET QG . . 3.790 2.323 1.965 2.664 . 0 0 "[ . 1 . 2]" 1
1917 1 107 MET H 1 108 THR H . . 3.840 2.631 2.377 2.866 . 0 0 "[ . 1 . 2]" 1
1918 1 107 MET HA 1 107 MET ME . . 4.510 4.464 4.212 4.617 0.107 12 0 "[ . 1 . 2]" 1
1919 1 107 MET HA 1 107 MET QG . . 3.970 2.977 2.316 3.377 . 0 0 "[ . 1 . 2]" 1
1920 1 107 MET HA 1 110 TRP H . . 4.120 3.438 3.143 3.692 . 0 0 "[ . 1 . 2]" 1
1921 1 107 MET HA 1 110 TRP HB2 . . 4.900 3.757 3.312 4.128 . 0 0 "[ . 1 . 2]" 1
1922 1 107 MET HA 1 110 TRP HB3 . . 4.500 2.849 2.331 3.264 . 0 0 "[ . 1 . 2]" 1
1923 1 107 MET QB 1 107 MET ME . . 3.570 2.365 2.126 2.692 . 0 0 "[ . 1 . 2]" 1
1924 1 107 MET QB 1 108 THR H . . 4.290 3.222 2.355 3.711 . 0 0 "[ . 1 . 2]" 1
1925 1 107 MET QG 1 108 THR H . . 5.500 3.003 1.915 4.423 . 0 0 "[ . 1 . 2]" 1
1926 1 108 THR H 1 108 THR HB . . 3.570 2.825 2.582 3.388 . 0 0 "[ . 1 . 2]" 1
1927 1 108 THR H 1 108 THR MG . . 4.280 3.626 2.938 3.759 . 0 0 "[ . 1 . 2]" 1
1928 1 108 THR H 1 109 ASN H . . 3.770 2.870 2.685 3.050 . 0 0 "[ . 1 . 2]" 1
1929 1 108 THR H 1 110 TRP H . . 5.110 4.264 4.020 4.521 . 0 0 "[ . 1 . 2]" 1
1930 1 108 THR HA 1 108 THR MG . . 3.380 2.261 2.128 2.388 . 0 0 "[ . 1 . 2]" 1
1931 1 108 THR HA 1 109 ASN HA . . 4.810 4.792 4.669 4.884 0.074 14 0 "[ . 1 . 2]" 1
1932 1 108 THR HA 1 110 TRP H . . 4.970 4.234 3.946 4.501 . 0 0 "[ . 1 . 2]" 1
1933 1 108 THR HA 1 111 LEU H . . 4.330 3.234 2.902 3.395 . 0 0 "[ . 1 . 2]" 1
1934 1 108 THR HA 1 111 LEU HB3 . . 4.430 4.273 3.206 4.498 0.068 12 0 "[ . 1 . 2]" 1
1935 1 108 THR HA 1 112 LEU QD . . 4.620 4.151 3.721 4.636 0.016 19 0 "[ . 1 . 2]" 1
1936 1 108 THR HB 1 109 ASN H . . 3.650 2.755 2.465 3.183 . 0 0 "[ . 1 . 2]" 1
1937 1 108 THR MG 1 109 ASN H . . 4.420 3.907 3.632 4.252 . 0 0 "[ . 1 . 2]" 1
1938 1 108 THR MG 1 111 LEU HB2 . . 3.600 3.551 3.024 3.700 0.100 16 0 "[ . 1 . 2]" 1
1939 1 109 ASN H 1 109 ASN HB2 . . 3.570 2.423 2.164 2.929 . 0 0 "[ . 1 . 2]" 1
1940 1 109 ASN H 1 109 ASN HB3 . . 3.640 2.727 2.136 2.892 . 0 0 "[ . 1 . 2]" 1
1941 1 109 ASN H 1 110 TRP H . . 3.690 2.797 2.660 2.974 . 0 0 "[ . 1 . 2]" 1
1942 1 109 ASN H 1 112 LEU QD . . 4.150 4.059 3.663 4.208 0.058 15 0 "[ . 1 . 2]" 1
1943 1 109 ASN HA 1 109 ASN HD21 . . 4.280 3.451 2.495 4.214 . 0 0 "[ . 1 . 2]" 1
1944 1 109 ASN HA 1 109 ASN HD22 . . 5.330 4.110 3.674 4.334 . 0 0 "[ . 1 . 2]" 1
1945 1 109 ASN HA 1 110 TRP HA . . 5.080 4.811 4.707 4.975 . 0 0 "[ . 1 . 2]" 1
1946 1 109 ASN HA 1 112 LEU H . . 4.220 3.712 3.396 3.963 . 0 0 "[ . 1 . 2]" 1
1947 1 109 ASN HA 1 112 LEU HB2 . . 5.230 4.162 3.114 5.330 0.100 13 0 "[ . 1 . 2]" 1
1948 1 109 ASN HA 1 112 LEU QD . . 3.490 2.132 1.834 2.547 . 0 0 "[ . 1 . 2]" 1
1949 1 109 ASN HA 1 113 ALA H . . 4.860 4.410 4.061 4.931 0.071 11 0 "[ . 1 . 2]" 1
1950 1 109 ASN HB2 1 110 TRP H . . 4.370 3.922 3.727 4.185 . 0 0 "[ . 1 . 2]" 1
1951 1 109 ASN HB2 1 112 LEU QD . . 4.800 4.180 3.715 4.698 . 0 0 "[ . 1 . 2]" 1
1952 1 109 ASN HB3 1 110 TRP H . . 4.060 2.851 2.614 3.105 . 0 0 "[ . 1 . 2]" 1
1953 1 109 ASN HB3 1 110 TRP HA . . 5.110 4.332 4.082 5.056 . 0 0 "[ . 1 . 2]" 1
1954 1 109 ASN HB3 1 112 LEU QD . . 5.500 4.638 4.117 5.141 . 0 0 "[ . 1 . 2]" 1
1955 1 109 ASN HD21 1 110 TRP H . . 4.760 4.139 3.719 4.645 . 0 0 "[ . 1 . 2]" 1
1956 1 109 ASN HD21 1 113 ALA MB . . 5.500 3.367 2.717 4.252 . 0 0 "[ . 1 . 2]" 1
1957 1 109 ASN HD22 1 113 ALA MB . . 5.500 3.737 3.210 5.114 . 0 0 "[ . 1 . 2]" 1
1958 1 110 TRP H 1 110 TRP HB2 . . 3.640 2.692 2.517 2.840 . 0 0 "[ . 1 . 2]" 1
1959 1 110 TRP H 1 110 TRP HB3 . . 3.670 2.376 2.262 2.506 . 0 0 "[ . 1 . 2]" 1
1960 1 110 TRP H 1 111 LEU H . . 3.420 2.603 2.430 2.810 . 0 0 "[ . 1 . 2]" 1
1961 1 110 TRP H 1 112 LEU H . . 5.220 4.337 4.069 4.555 . 0 0 "[ . 1 . 2]" 1
1962 1 110 TRP H 1 112 LEU QD . . 4.560 4.462 4.143 4.585 0.025 1 0 "[ . 1 . 2]" 1
1963 1 110 TRP H 1 113 ALA H . . 5.170 4.852 4.682 5.126 . 0 0 "[ . 1 . 2]" 1
1964 1 110 TRP HA 1 110 TRP HD1 . . 4.510 3.325 2.928 3.569 . 0 0 "[ . 1 . 2]" 1
1965 1 110 TRP HA 1 113 ALA H . . 4.480 3.346 3.041 3.776 . 0 0 "[ . 1 . 2]" 1
1966 1 110 TRP HA 1 113 ALA MB . . 3.930 2.491 2.194 2.800 . 0 0 "[ . 1 . 2]" 1
1967 1 110 TRP HA 1 114 TYR H . . 4.400 4.054 3.762 4.488 0.088 11 0 "[ . 1 . 2]" 1
1968 1 110 TRP HB2 1 111 LEU H . . 4.300 4.162 4.042 4.337 0.037 2 0 "[ . 1 . 2]" 1
1969 1 110 TRP HB3 1 111 LEU H . . 4.810 2.938 2.776 3.226 . 0 0 "[ . 1 . 2]" 1
1970 1 110 TRP HB3 1 111 LEU HA . . 5.240 4.443 4.141 4.678 . 0 0 "[ . 1 . 2]" 1
1971 1 110 TRP HE3 1 111 LEU H . . 3.930 3.134 2.909 3.402 . 0 0 "[ . 1 . 2]" 1
1972 1 110 TRP HE3 1 111 LEU HA . . 3.890 2.897 2.318 3.581 . 0 0 "[ . 1 . 2]" 1
1973 1 110 TRP HE3 1 111 LEU QD . . 3.390 2.907 2.539 3.285 . 0 0 "[ . 1 . 2]" 1
1974 1 110 TRP HE3 1 111 LEU HG . . 3.620 2.274 2.068 2.664 . 0 0 "[ . 1 . 2]" 1
1975 1 110 TRP HZ2 1 114 TYR QD . . 4.470 4.035 2.623 4.534 0.064 4 0 "[ . 1 . 2]" 1
1976 1 110 TRP HZ2 1 114 TYR QE . . 4.980 4.790 3.626 5.079 0.099 11 0 "[ . 1 . 2]" 1
1977 1 110 TRP HZ3 1 111 LEU HA . . 4.610 3.577 3.128 4.143 . 0 0 "[ . 1 . 2]" 1
1978 1 110 TRP HZ3 1 111 LEU QD . . 3.480 2.348 2.052 3.294 . 0 0 "[ . 1 . 2]" 1
1979 1 110 TRP HZ3 1 111 LEU HG . . 4.920 3.099 2.297 3.822 . 0 0 "[ . 1 . 2]" 1
1980 1 111 LEU H 1 111 LEU QD . . 4.240 3.234 2.694 3.715 . 0 0 "[ . 1 . 2]" 1
1981 1 111 LEU H 1 111 LEU HG . . 3.840 2.889 2.462 3.714 . 0 0 "[ . 1 . 2]" 1
1982 1 111 LEU H 1 112 LEU H . . 3.960 2.668 2.153 2.923 . 0 0 "[ . 1 . 2]" 1
1983 1 111 LEU H 1 112 LEU QD . . 3.830 3.846 3.628 3.902 0.072 6 0 "[ . 1 . 2]" 1
1984 1 111 LEU HA 1 111 LEU QD . . 3.340 2.304 2.023 2.850 . 0 0 "[ . 1 . 2]" 1
1985 1 111 LEU HA 1 111 LEU HG . . 3.090 2.667 2.267 3.002 . 0 0 "[ . 1 . 2]" 1
1986 1 111 LEU HA 1 114 TYR H . . 3.930 3.532 3.252 3.972 0.042 13 0 "[ . 1 . 2]" 1
1987 1 111 LEU HA 1 114 TYR HB2 . . 4.240 3.584 3.076 4.288 0.048 13 0 "[ . 1 . 2]" 1
1988 1 111 LEU HA 1 114 TYR HB3 . . 4.160 2.847 2.349 3.355 . 0 0 "[ . 1 . 2]" 1
1989 1 111 LEU HA 1 114 TYR QD . . 4.680 4.077 3.339 4.745 0.065 16 0 "[ . 1 . 2]" 1
1990 1 111 LEU QD 1 112 LEU H . . 4.710 4.204 3.971 4.497 . 0 0 "[ . 1 . 2]" 1
1991 1 112 LEU H 1 112 LEU HB2 . . 3.690 2.836 2.364 3.758 0.068 13 0 "[ . 1 . 2]" 1
1992 1 112 LEU H 1 112 LEU HB3 . . 3.400 3.112 2.005 3.668 0.268 10 0 "[ . 1 . 2]" 1
1993 1 112 LEU H 1 112 LEU QD . . 3.760 2.299 1.916 3.028 . 0 0 "[ . 1 . 2]" 1
1994 1 112 LEU H 1 112 LEU HG . . 3.880 3.514 2.480 3.964 0.084 7 0 "[ . 1 . 2]" 1
1995 1 112 LEU H 1 113 ALA H . . 3.560 2.659 1.920 2.889 . 0 0 "[ . 1 . 2]" 1
1996 1 112 LEU H 1 113 ALA MB . . 4.790 4.339 3.568 4.549 . 0 0 "[ . 1 . 2]" 1
1997 1 112 LEU HA 1 112 LEU QD . . 3.260 2.650 2.025 3.205 . 0 0 "[ . 1 . 2]" 1
1998 1 112 LEU HA 1 112 LEU HG . . 4.140 3.464 2.314 4.193 0.053 8 0 "[ . 1 . 2]" 1
1999 1 112 LEU HB2 1 113 ALA H . . 4.980 3.151 2.297 4.480 . 0 0 "[ . 1 . 2]" 1
2000 1 112 LEU HB3 1 112 LEU QD . . 3.010 2.230 1.990 2.547 . 0 0 "[ . 1 . 2]" 1
2001 1 112 LEU HB3 1 113 ALA H . . 3.800 3.590 3.190 3.881 0.081 17 0 "[ . 1 . 2]" 1
2002 1 112 LEU QD 1 113 ALA H . . 4.490 3.439 2.260 3.786 . 0 0 "[ . 1 . 2]" 1
2003 1 112 LEU QD 1 115 ARG HD2 . . 5.460 4.781 3.880 5.878 0.418 10 0 "[ . 1 . 2]" 1
2004 1 112 LEU QD 1 115 ARG HE . . 4.170 3.267 1.968 4.221 0.051 16 0 "[ . 1 . 2]" 1
2005 1 113 ALA H 1 113 ALA MB . . 3.390 2.247 2.214 2.291 . 0 0 "[ . 1 . 2]" 1
2006 1 113 ALA H 1 114 TYR H . . 3.400 2.711 2.353 2.939 . 0 0 "[ . 1 . 2]" 1
2007 1 113 ALA H 1 114 TYR HB2 . . 5.460 5.145 4.703 5.419 . 0 0 "[ . 1 . 2]" 1
2008 1 113 ALA H 1 114 TYR HB3 . . 4.910 4.820 4.277 5.211 0.301 16 0 "[ . 1 . 2]" 1
2009 1 113 ALA HA 1 116 ARG H . . 4.160 3.566 3.295 3.830 . 0 0 "[ . 1 . 2]" 1
2010 1 113 ALA HA 1 116 ARG QB . . 4.270 2.687 2.151 3.597 . 0 0 "[ . 1 . 2]" 1
2011 1 113 ALA HA 1 116 ARG HG2 . . 4.590 3.302 2.189 4.017 . 0 0 "[ . 1 . 2]" 1
2012 1 113 ALA HA 1 116 ARG HG3 . . 4.330 3.180 1.960 4.187 . 0 0 "[ . 1 . 2]" 1
2013 1 113 ALA MB 1 114 TYR H . . 3.440 2.784 2.443 3.494 0.054 20 0 "[ . 1 . 2]" 1
2014 1 113 ALA MB 1 114 TYR HA . . 5.320 3.990 3.639 4.391 . 0 0 "[ . 1 . 2]" 1
2015 1 114 TYR H 1 114 TYR HB2 . . 3.420 2.627 2.439 2.991 . 0 0 "[ . 1 . 2]" 1
2016 1 114 TYR H 1 114 TYR HB3 . . 3.420 2.402 2.191 2.666 . 0 0 "[ . 1 . 2]" 1
2017 1 114 TYR H 1 114 TYR QD . . 4.150 4.174 4.031 4.236 0.086 4 0 "[ . 1 . 2]" 1
2018 1 114 TYR H 1 116 ARG H . . 5.330 4.110 3.433 4.422 . 0 0 "[ . 1 . 2]" 1
2019 1 114 TYR HA 1 114 TYR QD . . 3.310 2.534 2.298 3.056 . 0 0 "[ . 1 . 2]" 1
2020 1 114 TYR HA 1 114 TYR QE . . 4.780 4.623 4.316 4.867 0.087 5 0 "[ . 1 . 2]" 1
2021 1 114 TYR HA 1 117 SER H . . 4.270 3.688 3.283 4.058 . 0 0 "[ . 1 . 2]" 1
2022 1 114 TYR HA 1 117 SER QB . . 3.890 3.181 2.319 3.833 . 0 0 "[ . 1 . 2]" 1
2023 1 114 TYR HB2 1 115 ARG H . . 4.620 3.926 3.655 4.265 . 0 0 "[ . 1 . 2]" 1
2024 1 114 TYR HB3 1 115 ARG H . . 3.720 2.525 2.248 2.995 . 0 0 "[ . 1 . 2]" 1
2025 1 114 TYR QD 1 115 ARG H . . 3.700 3.323 2.562 3.686 . 0 0 "[ . 1 . 2]" 1
2026 1 114 TYR QD 1 115 ARG HA . . 3.820 3.776 2.972 3.923 0.103 8 0 "[ . 1 . 2]" 1
2027 1 114 TYR QD 1 118 GLN QG . . 4.520 4.064 3.474 4.617 0.097 17 0 "[ . 1 . 2]" 1
2028 1 114 TYR QE 1 118 GLN QG . . 4.070 3.846 3.400 4.177 0.107 14 0 "[ . 1 . 2]" 1
2029 1 115 ARG H 1 115 ARG HB2 . . 3.880 3.472 2.309 3.779 . 0 0 "[ . 1 . 2]" 1
2030 1 115 ARG H 1 115 ARG HB3 . . 3.530 2.629 2.200 2.837 . 0 0 "[ . 1 . 2]" 1
2031 1 115 ARG H 1 115 ARG HE . . 5.290 5.138 4.184 5.381 0.091 13 0 "[ . 1 . 2]" 1
2032 1 115 ARG H 1 115 ARG HG2 . . 4.730 2.926 1.972 4.462 . 0 0 "[ . 1 . 2]" 1
2033 1 115 ARG H 1 115 ARG HG3 . . 4.970 3.376 2.450 4.464 . 0 0 "[ . 1 . 2]" 1
2034 1 115 ARG H 1 116 ARG H . . 3.620 2.818 2.710 3.019 . 0 0 "[ . 1 . 2]" 1
2035 1 115 ARG H 1 117 SER H . . 4.740 4.424 4.224 4.780 0.040 12 0 "[ . 1 . 2]" 1
2036 1 115 ARG H 1 118 GLN H . . 5.440 5.149 4.866 5.504 0.064 20 0 "[ . 1 . 2]" 1
2037 1 115 ARG HA 1 115 ARG HD2 . . 4.780 4.630 4.424 4.877 0.097 10 0 "[ . 1 . 2]" 1
2038 1 115 ARG HA 1 117 SER H . . 5.170 4.208 3.491 4.818 . 0 0 "[ . 1 . 2]" 1
2039 1 115 ARG HA 1 118 GLN H . . 4.130 3.304 2.836 4.202 0.072 10 0 "[ . 1 . 2]" 1
2040 1 115 ARG HA 1 118 GLN HB2 . . 4.940 3.028 2.414 4.019 . 0 0 "[ . 1 . 2]" 1
2041 1 115 ARG HA 1 118 GLN QG . . 3.620 3.004 2.406 3.720 0.100 8 0 "[ . 1 . 2]" 1
2042 1 115 ARG HB2 1 115 ARG HD2 . . 3.850 2.698 2.108 3.748 . 0 0 "[ . 1 . 2]" 1
2043 1 115 ARG HB2 1 116 ARG H . . 4.650 4.004 3.672 4.507 . 0 0 "[ . 1 . 2]" 1
2044 1 115 ARG HB3 1 115 ARG HE . . 5.500 4.358 2.626 4.986 . 0 0 "[ . 1 . 2]" 1
2045 1 115 ARG HG2 1 116 ARG H . . 3.700 3.443 2.453 4.055 0.355 20 0 "[ . 1 . 2]" 1
2046 1 116 ARG H 1 116 ARG QB . . 3.540 2.304 1.794 2.669 . 0 0 "[ . 1 . 2]" 1
2047 1 116 ARG H 1 116 ARG QD . . 4.990 3.662 2.628 4.260 . 0 0 "[ . 1 . 2]" 1
2048 1 116 ARG H 1 116 ARG HG2 . . 3.680 2.748 2.074 4.056 0.376 1 0 "[ . 1 . 2]" 1
2049 1 116 ARG H 1 116 ARG HG3 . . 3.970 3.632 2.067 3.913 . 0 0 "[ . 1 . 2]" 1
2050 1 116 ARG H 1 117 SER H . . 3.600 2.740 2.471 2.956 . 0 0 "[ . 1 . 2]" 1
2051 1 116 ARG H 1 117 SER HA . . 5.500 5.326 5.120 5.531 0.031 11 0 "[ . 1 . 2]" 1
2052 1 116 ARG H 1 117 SER QB . . 4.820 4.589 4.096 4.751 . 0 0 "[ . 1 . 2]" 1
2053 1 116 ARG H 1 119 GLN HE22 . . 4.800 4.491 3.922 4.885 0.085 14 0 "[ . 1 . 2]" 1
2054 1 116 ARG HA 1 116 ARG QD . . 3.260 2.187 1.921 3.037 . 0 0 "[ . 1 . 2]" 1
2055 1 116 ARG HA 1 116 ARG HG2 . . 4.010 3.188 2.694 4.073 0.063 20 0 "[ . 1 . 2]" 1
2056 1 116 ARG HA 1 116 ARG HG3 . . 3.960 3.680 3.176 3.929 . 0 0 "[ . 1 . 2]" 1
2057 1 116 ARG HA 1 119 GLN H . . 4.420 3.959 3.324 4.458 0.038 20 0 "[ . 1 . 2]" 1
2058 1 116 ARG HA 1 119 GLN HE21 . . 5.290 2.506 2.057 4.459 . 0 0 "[ . 1 . 2]" 1
2059 1 116 ARG HA 1 119 GLN QG . . 4.180 3.839 2.450 4.284 0.104 9 0 "[ . 1 . 2]" 1
2060 1 116 ARG QB 1 116 ARG QD . . 2.740 2.311 2.020 2.549 . 0 0 "[ . 1 . 2]" 1
2061 1 116 ARG QB 1 117 SER H . . 3.810 2.646 2.202 3.385 . 0 0 "[ . 1 . 2]" 1
2062 1 116 ARG QB 1 117 SER HA . . 5.000 4.003 3.662 4.521 . 0 0 "[ . 1 . 2]" 1
2063 1 116 ARG QD 1 117 SER H . . 5.430 4.589 1.404 5.107 . 0 0 "[ . 1 . 2]" 1
2064 1 116 ARG QD 1 119 GLN HE21 . . 5.500 3.846 3.002 5.278 . 0 0 "[ . 1 . 2]" 1
2065 1 116 ARG QD 1 119 GLN HE22 . . 4.690 3.106 2.268 4.900 0.210 9 0 "[ . 1 . 2]" 1
2066 1 116 ARG HE 1 116 ARG HG2 . . 4.110 2.979 2.437 3.771 . 0 0 "[ . 1 . 2]" 1
2067 1 116 ARG HG2 1 117 SER H . . 5.340 4.470 3.966 5.009 . 0 0 "[ . 1 . 2]" 1
2068 1 116 ARG HG3 1 117 SER H . . 5.440 4.616 2.887 5.391 . 0 0 "[ . 1 . 2]" 1
2069 1 117 SER H 1 117 SER QB . . 3.020 2.246 1.997 2.585 . 0 0 "[ . 1 . 2]" 1
2070 1 117 SER H 1 118 GLN H . . 3.380 2.725 2.286 3.044 . 0 0 "[ . 1 . 2]" 1
2071 1 117 SER H 1 118 GLN QG . . 5.130 4.329 3.539 5.134 0.004 8 0 "[ . 1 . 2]" 1
2072 1 117 SER H 1 119 GLN HE22 . . 5.500 5.448 4.259 5.588 0.088 3 0 "[ . 1 . 2]" 1
2073 1 117 SER QB 1 118 GLN H . . 3.680 3.217 2.871 3.485 . 0 0 "[ . 1 . 2]" 1
2074 1 117 SER QB 1 118 GLN QG . . 4.970 3.731 2.844 4.626 . 0 0 "[ . 1 . 2]" 1
2075 1 118 GLN H 1 118 GLN HB2 . . 3.210 2.447 2.239 2.611 . 0 0 "[ . 1 . 2]" 1
2076 1 118 GLN H 1 118 GLN HB3 . . 4.070 3.623 3.510 3.718 . 0 0 "[ . 1 . 2]" 1
2077 1 118 GLN H 1 118 GLN QG . . 3.170 2.539 2.209 3.187 0.017 17 0 "[ . 1 . 2]" 1
2078 1 118 GLN H 1 119 GLN H . . 3.030 2.542 2.104 2.920 . 0 0 "[ . 1 . 2]" 1
2079 1 118 GLN H 1 119 GLN HE21 . . 3.700 3.735 3.439 4.258 0.558 9 1 "[ . +1 . 2]" 1
2080 1 118 GLN H 1 120 ASP H . . 5.260 4.346 3.776 4.893 . 0 0 "[ . 1 . 2]" 1
2081 1 118 GLN HA 1 118 GLN HE21 . . 4.900 4.680 3.961 4.979 0.079 9 0 "[ . 1 . 2]" 1
2082 1 118 GLN HA 1 118 GLN QG . . 3.260 2.387 2.212 2.567 . 0 0 "[ . 1 . 2]" 1
2083 1 118 GLN HA 1 119 GLN H . . 3.400 3.452 3.403 3.486 0.086 20 0 "[ . 1 . 2]" 1
2084 1 118 GLN HA 1 120 ASP H . . 4.830 4.011 3.373 4.904 0.074 16 0 "[ . 1 . 2]" 1
2085 1 118 GLN HB2 1 118 GLN HE22 . . 5.300 4.277 3.661 4.725 . 0 0 "[ . 1 . 2]" 1
2086 1 118 GLN HB2 1 118 GLN QG . . 2.640 2.390 2.218 2.471 . 0 0 "[ . 1 . 2]" 1
2087 1 118 GLN HB2 1 119 GLN H . . 3.690 3.126 2.396 3.726 0.036 12 0 "[ . 1 . 2]" 1
2088 1 118 GLN HE22 1 118 GLN QG . . 3.760 3.371 3.238 3.566 . 0 0 "[ . 1 . 2]" 1
2089 1 119 GLN H 1 119 GLN QB . . 2.960 2.699 2.290 2.921 . 0 0 "[ . 1 . 2]" 1
2090 1 119 GLN H 1 119 GLN HE21 . . 4.710 2.761 2.193 3.408 . 0 0 "[ . 1 . 2]" 1
2091 1 119 GLN H 1 119 GLN HE22 . . 4.810 4.175 3.141 4.878 0.068 5 0 "[ . 1 . 2]" 1
2092 1 119 GLN H 1 119 GLN QG . . 3.500 2.489 1.998 3.512 0.012 9 0 "[ . 1 . 2]" 1
2093 1 119 GLN H 1 120 ASP H . . 3.010 2.617 2.179 3.071 0.061 9 0 "[ . 1 . 2]" 1
2094 1 119 GLN H 1 120 ASP HA . . 4.640 4.520 3.974 4.742 0.102 16 0 "[ . 1 . 2]" 1
2095 1 119 GLN HA 1 119 GLN QG . . 3.330 3.041 2.383 3.441 0.111 20 0 "[ . 1 . 2]" 1
2096 1 119 GLN HA 1 120 ASP H . . 2.960 2.874 2.430 3.042 0.082 12 0 "[ . 1 . 2]" 1
2097 1 119 GLN QB 1 120 ASP H . . 4.430 3.881 3.640 4.016 . 0 0 "[ . 1 . 2]" 1
2098 1 119 GLN QG 1 120 ASP H . . 4.680 4.141 3.188 4.780 0.100 9 0 "[ . 1 . 2]" 1
2099 1 120 ASP H 1 120 ASP HB2 . . 3.280 2.593 2.290 3.362 0.082 13 0 "[ . 1 . 2]" 1
2100 1 120 ASP H 1 120 ASP HB3 . . 3.110 2.488 2.068 3.186 0.076 9 0 "[ . 1 . 2]" 1
2101 1 120 ASP HA 1 120 ASP HB2 . . 2.800 2.450 2.212 2.779 . 0 0 "[ . 1 . 2]" 1
stop_
save_