NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598553 |
2n4p   |
25675 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4p
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 976
_Distance_constraint_stats_list.Viol_count 1163
_Distance_constraint_stats_list.Viol_total 3442.590
_Distance_constraint_stats_list.Viol_max 0.988
_Distance_constraint_stats_list.Viol_rms 0.0561
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.1480
_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 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 HIS 2.374 0.874 8 3 "[ . + 1 * .- 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 MET 1.339 0.660 10 2 "[ . + . - 2]"
1 14 SER 1.339 0.660 10 2 "[ . + . - 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 3.726 0.239 5 0 "[ . 1 . 2]"
1 17 ILE 2.933 0.250 15 0 "[ . 1 . 2]"
1 18 ARG 1.880 0.239 5 0 "[ . 1 . 2]"
1 19 VAL 1.717 0.148 10 0 "[ . 1 . 2]"
1 20 THR 0.214 0.086 10 0 "[ . 1 . 2]"
1 21 GLU 14.582 0.943 9 5 "[ * *. +1 * . - 2]"
1 22 ASP 0.010 0.008 12 0 "[ . 1 . 2]"
1 23 GLU 2.418 0.240 10 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.013 0.013 13 0 "[ . 1 . 2]"
1 26 GLU 0.113 0.035 16 0 "[ . 1 . 2]"
1 27 PRO 0.107 0.035 16 0 "[ . 1 . 2]"
1 28 ILE 1.100 0.148 10 0 "[ . 1 . 2]"
1 29 GLU 0.912 0.541 10 1 "[ . + . 2]"
1 30 ILE 6.565 0.541 10 1 "[ . + . 2]"
1 31 PRO 0.316 0.114 14 0 "[ . 1 . 2]"
1 32 SER 0.133 0.045 10 0 "[ . 1 . 2]"
1 33 GLU 3.344 0.383 10 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 3.354 0.605 10 5 "[* . + .*-* 2]"
1 38 VAL 4.824 0.383 10 0 "[ . 1 . 2]"
1 39 LEU 11.639 0.595 15 7 "[ ***. * * - + 2]"
1 40 LEU 9.076 0.478 18 0 "[ . 1 . 2]"
1 41 SER 3.984 0.389 13 0 "[ . 1 . 2]"
1 42 THR 0.137 0.016 10 0 "[ . 1 . 2]"
1 43 VAL 17.015 0.658 13 2 "[ . 1 + .- 2]"
1 44 THR 10.224 0.797 5 5 "[ *+ 1- * . *2]"
1 45 ALA 3.802 0.505 16 1 "[ . 1 .+ 2]"
1 46 GLN 1.983 0.146 3 0 "[ . 1 . 2]"
1 47 PHE 15.879 0.823 9 4 "[ - *. +1 . * 2]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 17.235 0.797 5 6 "[ *+ 1- * . **2]"
1 51 CYS 0.320 0.055 1 0 "[ . 1 . 2]"
1 52 GLY 2.680 0.550 18 1 "[ . 1 . + 2]"
1 53 LEU 4.829 0.902 1 2 "[+ . -1 . 2]"
1 54 ARG 8.972 0.799 6 1 "[ .+ 1 . 2]"
1 55 TYR 13.673 0.987 7 5 "[* * + 1 *-. 2]"
1 56 ARG 2.170 0.161 11 0 "[ . 1 . 2]"
1 57 ASN 0.433 0.171 5 0 "[ . 1 . 2]"
1 58 PRO 0.438 0.055 6 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.353 0.171 5 0 "[ . 1 . 2]"
1 61 GLN 0.664 0.625 6 1 "[ .+ 1 . 2]"
1 62 CYS 0.664 0.625 6 1 "[ .+ 1 . 2]"
1 63 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.117 0.031 13 0 "[ . 1 . 2]"
1 65 GLY 1.560 0.799 6 1 "[ .+ 1 . 2]"
1 66 VAL 2.498 0.245 3 0 "[ . 1 . 2]"
1 67 ARG 2.396 0.295 18 0 "[ . 1 . 2]"
1 68 LEU 17.747 0.988 7 9 "[ *. +**- *. * **]"
1 69 VAL 1.250 0.262 7 0 "[ . 1 . 2]"
1 70 GLU 0.976 0.275 20 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 7.104 0.556 4 1 "[ +. 1 . 2]"
1 73 LEU 19.290 0.988 7 9 "[ *. +**- *. * **]"
1 74 HIS 2.167 0.295 18 0 "[ . 1 . 2]"
1 75 ALA 11.181 0.605 10 5 "[* . + .*-* 2]"
1 76 PRO 6.176 0.631 13 5 "[ . - 1**+ . * 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 3.513 0.631 13 5 "[ . - 1**+ . * 2]"
1 79 GLY 1.625 0.281 2 0 "[ . 1 . 2]"
1 80 TRP 6.429 0.491 15 0 "[ . 1 . 2]"
1 82 ASN 2.068 0.235 18 0 "[ . 1 . 2]"
1 83 LEU 11.733 0.987 7 5 "[* * + 1 **. 2]"
1 84 VAL 10.355 0.784 14 5 "[* * * 1 -+. 2]"
1 85 TYR 2.634 0.548 13 1 "[ . 1 + . 2]"
1 86 VAL 20.261 0.819 17 7 "[****. -* . + 2]"
1 87 VAL 15.940 0.943 9 8 "[****. +* . *- 2]"
1 88 ASN 2.888 0.902 1 2 "[+ . -1 . 2]"
1 89 TYR 1.264 0.221 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLY QA 1 4 SER H . . 3.480 2.337 2.109 2.847 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLY QA 1 4 SER HA . . 4.340 3.996 3.934 4.166 . 0 0 "[ . 1 . 2]" 1
3 1 5 HIS H 1 5 HIS QB . . 3.620 2.535 2.182 3.214 . 0 0 "[ . 1 . 2]" 1
4 1 5 HIS HA 1 5 HIS QB . . 2.630 2.349 2.183 2.493 . 0 0 "[ . 1 . 2]" 1
5 1 6 HIS H 1 6 HIS HD2 . . 4.850 3.582 2.017 5.724 0.874 8 3 "[ . + 1 * .- 2]" 1
6 1 6 HIS HA 1 6 HIS HD2 . . 4.070 3.332 2.161 4.047 . 0 0 "[ . 1 . 2]" 1
7 1 10 HIS H 1 10 HIS QB . . 3.560 2.458 2.191 3.207 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLY QA 1 12 SER HA . . 4.790 3.992 3.937 4.187 . 0 0 "[ . 1 . 2]" 1
9 1 12 SER HA 1 12 SER QB . . 2.580 2.337 2.187 2.497 . 0 0 "[ . 1 . 2]" 1
10 1 13 MET HA 1 13 MET QG . . 3.740 2.932 2.189 3.407 . 0 0 "[ . 1 . 2]" 1
11 1 13 MET QG 1 14 SER QB . . 5.500 4.750 3.244 6.160 0.660 10 2 "[ . + . - 2]" 1
12 1 14 SER H 1 14 SER QB . . 3.370 2.677 2.166 3.257 . 0 0 "[ . 1 . 2]" 1
13 1 14 SER QB 1 34 ASP HA . . 3.640 2.330 1.960 3.430 . 0 0 "[ . 1 . 2]" 1
14 1 14 SER QB 1 34 ASP QB . . 4.570 3.169 2.503 3.933 . 0 0 "[ . 1 . 2]" 1
15 1 15 GLU H 1 15 GLU QB . . 3.570 2.418 2.209 2.968 . 0 0 "[ . 1 . 2]" 1
16 1 15 GLU HA 1 16 TYR QD . . 4.380 3.503 3.102 4.014 . 0 0 "[ . 1 . 2]" 1
17 1 15 GLU QB 1 16 TYR H . . 4.230 2.544 1.937 3.584 . 0 0 "[ . 1 . 2]" 1
18 1 16 TYR H 1 16 TYR HB3 . . 4.060 3.065 2.800 3.292 . 0 0 "[ . 1 . 2]" 1
19 1 16 TYR HA 1 16 TYR QD . . 3.980 3.733 3.700 3.744 . 0 0 "[ . 1 . 2]" 1
20 1 16 TYR HA 1 17 ILE H . . 3.370 2.404 2.204 2.521 . 0 0 "[ . 1 . 2]" 1
21 1 16 TYR HA 1 17 ILE MG . . 4.230 3.666 3.428 3.776 . 0 0 "[ . 1 . 2]" 1
22 1 16 TYR HA 1 30 ILE H . . 5.500 5.408 4.805 5.514 0.014 20 0 "[ . 1 . 2]" 1
23 1 16 TYR HA 1 32 SER H . . 4.000 3.521 3.116 3.959 . 0 0 "[ . 1 . 2]" 1
24 1 16 TYR HA 1 32 SER HA . . 5.360 5.160 4.953 5.405 0.045 10 0 "[ . 1 . 2]" 1
25 1 16 TYR HB2 1 17 ILE H . . 3.970 2.443 2.183 3.013 . 0 0 "[ . 1 . 2]" 1
26 1 16 TYR HB2 1 18 ARG QG . . 4.580 4.289 3.798 4.593 0.013 13 0 "[ . 1 . 2]" 1
27 1 16 TYR HB3 1 17 ILE H . . 4.050 3.748 3.598 3.944 . 0 0 "[ . 1 . 2]" 1
28 1 16 TYR QD 1 17 ILE H . . 4.670 3.390 3.077 4.278 . 0 0 "[ . 1 . 2]" 1
29 1 16 TYR QD 1 17 ILE HA . . 4.920 3.756 3.401 4.491 . 0 0 "[ . 1 . 2]" 1
30 1 16 TYR QD 1 18 ARG HA . . 5.040 4.255 4.100 4.631 . 0 0 "[ . 1 . 2]" 1
31 1 16 TYR QD 1 18 ARG QB . . 3.830 3.382 3.208 3.651 . 0 0 "[ . 1 . 2]" 1
32 1 16 TYR QD 1 18 ARG HG2 . . 3.950 3.790 3.047 4.189 0.239 5 0 "[ . 1 . 2]" 1
33 1 16 TYR QD 1 18 ARG HG3 . . 3.950 2.546 2.027 2.998 . 0 0 "[ . 1 . 2]" 1
34 1 16 TYR QD 1 29 GLU HA . . 5.410 4.131 3.581 4.509 . 0 0 "[ . 1 . 2]" 1
35 1 16 TYR QD 1 29 GLU QB . . 4.310 3.531 2.935 3.973 . 0 0 "[ . 1 . 2]" 1
36 1 16 TYR QD 1 30 ILE H . . 5.200 4.546 4.042 5.067 . 0 0 "[ . 1 . 2]" 1
37 1 16 TYR QE 1 18 ARG QG . . 4.230 2.525 1.992 3.309 . 0 0 "[ . 1 . 2]" 1
38 1 16 TYR QE 1 82 ASN QD . . 4.110 3.926 2.558 4.345 0.235 18 0 "[ . 1 . 2]" 1
39 1 17 ILE H 1 17 ILE MD . . 4.960 4.583 4.470 4.653 . 0 0 "[ . 1 . 2]" 1
40 1 17 ILE H 1 17 ILE MG . . 4.140 1.901 1.877 1.953 . 0 0 "[ . 1 . 2]" 1
41 1 17 ILE H 1 18 ARG H . . 5.030 4.338 4.252 4.442 . 0 0 "[ . 1 . 2]" 1
42 1 17 ILE H 1 30 ILE H . . 4.330 3.398 3.284 3.546 . 0 0 "[ . 1 . 2]" 1
43 1 17 ILE H 1 30 ILE HG13 . . 5.220 3.716 3.618 4.092 . 0 0 "[ . 1 . 2]" 1
44 1 17 ILE H 1 32 SER H . . 5.350 4.692 4.312 5.183 . 0 0 "[ . 1 . 2]" 1
45 1 17 ILE HA 1 17 ILE MD . . 3.950 3.834 3.823 3.881 . 0 0 "[ . 1 . 2]" 1
46 1 17 ILE HA 1 17 ILE HG12 . . 3.490 3.181 3.110 3.255 . 0 0 "[ . 1 . 2]" 1
47 1 17 ILE HA 1 17 ILE HG13 . . 4.170 2.584 2.562 2.658 . 0 0 "[ . 1 . 2]" 1
48 1 17 ILE HA 1 17 ILE MG . . 3.300 3.177 3.173 3.183 . 0 0 "[ . 1 . 2]" 1
49 1 17 ILE HA 1 18 ARG H . . 3.410 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
50 1 17 ILE HA 1 19 VAL MG1 . . 4.550 4.491 4.347 4.555 0.005 13 0 "[ . 1 . 2]" 1
51 1 17 ILE HA 1 80 TRP HB2 . . 3.940 2.226 2.124 2.452 . 0 0 "[ . 1 . 2]" 1
52 1 17 ILE HA 1 80 TRP HB3 . . 3.880 2.406 2.306 2.538 . 0 0 "[ . 1 . 2]" 1
53 1 17 ILE HB 1 17 ILE MD . . 3.170 2.401 2.374 2.475 . 0 0 "[ . 1 . 2]" 1
54 1 17 ILE HB 1 17 ILE HG13 . . 2.930 2.462 2.431 2.482 . 0 0 "[ . 1 . 2]" 1
55 1 17 ILE HB 1 18 ARG H . . 4.590 4.172 4.114 4.222 . 0 0 "[ . 1 . 2]" 1
56 1 17 ILE HB 1 32 SER QB . . 4.320 3.342 3.076 3.775 . 0 0 "[ . 1 . 2]" 1
57 1 17 ILE HB 1 38 VAL QG . . 3.640 2.532 2.431 2.712 . 0 0 "[ . 1 . 2]" 1
58 1 17 ILE HB 1 75 ALA MB . . 5.090 4.838 4.476 5.340 0.250 15 0 "[ . 1 . 2]" 1
59 1 17 ILE HB 1 80 TRP HD1 . . 5.090 3.129 3.091 3.186 . 0 0 "[ . 1 . 2]" 1
60 1 17 ILE HB 1 80 TRP HE3 . . 4.450 4.266 4.214 4.343 . 0 0 "[ . 1 . 2]" 1
61 1 17 ILE HB 1 80 TRP HZ2 . . 4.770 4.285 4.188 4.405 . 0 0 "[ . 1 . 2]" 1
62 1 17 ILE MD 1 17 ILE MG . . 3.230 1.919 1.900 1.934 . 0 0 "[ . 1 . 2]" 1
63 1 17 ILE MD 1 19 VAL H . . 5.330 4.553 4.439 4.595 . 0 0 "[ . 1 . 2]" 1
64 1 17 ILE MD 1 19 VAL MG1 . . 3.070 2.871 2.702 3.037 . 0 0 "[ . 1 . 2]" 1
65 1 17 ILE MD 1 19 VAL MG2 . . 3.290 2.263 1.957 2.337 . 0 0 "[ . 1 . 2]" 1
66 1 17 ILE MD 1 30 ILE HB . . 5.170 5.197 5.145 5.344 0.174 10 0 "[ . 1 . 2]" 1
67 1 17 ILE MD 1 30 ILE MD . . 3.240 2.510 2.295 2.851 . 0 0 "[ . 1 . 2]" 1
68 1 17 ILE MD 1 30 ILE HG13 . . 5.120 3.709 3.299 3.811 . 0 0 "[ . 1 . 2]" 1
69 1 17 ILE MD 1 32 SER QB . . 4.590 4.253 4.053 4.623 0.033 11 0 "[ . 1 . 2]" 1
70 1 17 ILE MD 1 38 VAL HB . . 4.340 3.423 3.364 3.525 . 0 0 "[ . 1 . 2]" 1
71 1 17 ILE MD 1 38 VAL QG . . 3.440 1.952 1.857 2.069 . 0 0 "[ . 1 . 2]" 1
72 1 17 ILE MD 1 66 VAL MG1 . . 5.500 3.853 3.698 4.060 . 0 0 "[ . 1 . 2]" 1
73 1 17 ILE MD 1 66 VAL MG2 . . 5.500 3.751 3.500 4.078 . 0 0 "[ . 1 . 2]" 1
74 1 17 ILE MD 1 80 TRP HA . . 5.480 4.629 4.488 4.734 . 0 0 "[ . 1 . 2]" 1
75 1 17 ILE MD 1 80 TRP HB3 . . 4.140 3.628 3.556 3.762 . 0 0 "[ . 1 . 2]" 1
76 1 17 ILE MD 1 80 TRP HD1 . . 4.970 4.698 4.649 4.733 . 0 0 "[ . 1 . 2]" 1
77 1 17 ILE MD 1 80 TRP HE3 . . 3.870 2.784 2.740 2.868 . 0 0 "[ . 1 . 2]" 1
78 1 17 ILE MD 1 80 TRP HZ2 . . 4.770 3.545 3.365 3.679 . 0 0 "[ . 1 . 2]" 1
79 1 17 ILE MD 1 80 TRP HZ3 . . 4.460 2.892 2.838 2.971 . 0 0 "[ . 1 . 2]" 1
80 1 17 ILE MD 1 85 TYR HB2 . . 5.500 5.422 5.227 5.516 0.016 20 0 "[ . 1 . 2]" 1
81 1 17 ILE HG12 1 17 ILE MG . . 3.670 2.369 2.358 2.436 . 0 0 "[ . 1 . 2]" 1
82 1 17 ILE HG12 1 19 VAL H . . 3.980 3.461 3.368 3.517 . 0 0 "[ . 1 . 2]" 1
83 1 17 ILE HG12 1 19 VAL MG1 . . 3.430 2.947 2.791 3.018 . 0 0 "[ . 1 . 2]" 1
84 1 17 ILE HG12 1 19 VAL MG2 . . 2.860 2.109 1.985 2.458 . 0 0 "[ . 1 . 2]" 1
85 1 17 ILE HG12 1 30 ILE HG13 . . 4.240 3.631 3.445 4.206 . 0 0 "[ . 1 . 2]" 1
86 1 17 ILE HG12 1 80 TRP HB3 . . 3.750 3.533 3.386 3.749 . 0 0 "[ . 1 . 2]" 1
87 1 17 ILE HG12 1 80 TRP HZ3 . . 5.500 5.463 5.353 5.536 0.036 2 0 "[ . 1 . 2]" 1
88 1 17 ILE HG13 1 18 ARG H . . 4.420 3.021 2.936 3.121 . 0 0 "[ . 1 . 2]" 1
89 1 17 ILE HG13 1 19 VAL MG2 . . 4.290 3.056 2.887 3.213 . 0 0 "[ . 1 . 2]" 1
90 1 17 ILE HG13 1 38 VAL QG . . 4.010 3.840 3.714 3.903 . 0 0 "[ . 1 . 2]" 1
91 1 17 ILE HG13 1 80 TRP HB3 . . 3.420 2.050 1.986 2.247 . 0 0 "[ . 1 . 2]" 1
92 1 17 ILE HG13 1 80 TRP HD1 . . 4.870 4.392 4.294 4.539 . 0 0 "[ . 1 . 2]" 1
93 1 17 ILE HG13 1 80 TRP HE3 . . 4.300 2.744 2.625 2.797 . 0 0 "[ . 1 . 2]" 1
94 1 17 ILE MG 1 18 ARG H . . 4.440 4.145 4.117 4.172 . 0 0 "[ . 1 . 2]" 1
95 1 17 ILE MG 1 19 VAL MG2 . . 4.750 3.525 3.340 3.766 . 0 0 "[ . 1 . 2]" 1
96 1 17 ILE MG 1 32 SER HA . . 4.030 3.749 3.610 3.955 . 0 0 "[ . 1 . 2]" 1
97 1 17 ILE MG 1 32 SER QB . . 3.210 2.551 2.110 3.177 . 0 0 "[ . 1 . 2]" 1
98 1 17 ILE MG 1 38 VAL HB . . 4.490 4.123 3.984 4.306 . 0 0 "[ . 1 . 2]" 1
99 1 17 ILE MG 1 38 VAL QG . . 4.160 1.889 1.826 1.981 . 0 0 "[ . 1 . 2]" 1
100 1 17 ILE MG 1 47 PHE QE . . 4.650 4.157 3.847 4.398 . 0 0 "[ . 1 . 2]" 1
101 1 17 ILE MG 1 80 TRP HB3 . . 4.530 4.504 4.439 4.563 0.033 8 0 "[ . 1 . 2]" 1
102 1 17 ILE MG 1 80 TRP HD1 . . 4.630 4.398 4.339 4.508 . 0 0 "[ . 1 . 2]" 1
103 1 17 ILE MG 1 80 TRP HE3 . . 5.360 5.077 5.046 5.128 . 0 0 "[ . 1 . 2]" 1
104 1 17 ILE MG 1 80 TRP HZ2 . . 4.890 4.654 4.487 4.769 . 0 0 "[ . 1 . 2]" 1
105 1 17 ILE MG 1 80 TRP HZ3 . . 5.500 5.553 5.510 5.578 0.078 18 0 "[ . 1 . 2]" 1
106 1 18 ARG H 1 18 ARG HB2 . . 4.020 2.427 2.385 2.543 . 0 0 "[ . 1 . 2]" 1
107 1 18 ARG H 1 18 ARG HB3 . . 4.020 3.486 3.412 3.711 . 0 0 "[ . 1 . 2]" 1
108 1 18 ARG H 1 18 ARG QG . . 3.970 3.574 3.103 3.684 . 0 0 "[ . 1 . 2]" 1
109 1 18 ARG H 1 19 VAL H . . 5.300 4.089 4.031 4.119 . 0 0 "[ . 1 . 2]" 1
110 1 18 ARG H 1 19 VAL MG1 . . 4.020 3.538 3.383 3.646 . 0 0 "[ . 1 . 2]" 1
111 1 18 ARG H 1 80 TRP HE3 . . 5.310 5.091 4.898 5.235 . 0 0 "[ . 1 . 2]" 1
112 1 18 ARG HA 1 18 ARG QG . . 3.700 2.123 2.023 2.260 . 0 0 "[ . 1 . 2]" 1
113 1 18 ARG HA 1 19 VAL H . . 3.280 2.166 2.161 2.185 . 0 0 "[ . 1 . 2]" 1
114 1 18 ARG HA 1 19 VAL HA . . 4.370 4.370 4.367 4.376 0.006 8 0 "[ . 1 . 2]" 1
115 1 18 ARG HA 1 19 VAL MG1 . . 4.240 4.213 4.090 4.256 0.016 13 0 "[ . 1 . 2]" 1
116 1 18 ARG HA 1 27 PRO HB2 . . 4.520 4.041 3.647 4.439 . 0 0 "[ . 1 . 2]" 1
117 1 18 ARG HA 1 28 ILE H . . 5.030 4.701 4.191 4.917 . 0 0 "[ . 1 . 2]" 1
118 1 18 ARG QB 1 18 ARG QD . . 3.470 2.110 1.913 2.355 . 0 0 "[ . 1 . 2]" 1
119 1 18 ARG QB 1 18 ARG HE . . 4.250 2.882 1.999 3.699 . 0 0 "[ . 1 . 2]" 1
120 1 18 ARG QB 1 19 VAL MG1 . . 5.280 4.074 4.014 4.130 . 0 0 "[ . 1 . 2]" 1
121 1 18 ARG QB 1 80 TRP HB3 . . 4.680 4.547 4.354 4.879 0.199 8 0 "[ . 1 . 2]" 1
122 1 18 ARG QB 1 82 ASN HA . . 4.630 2.012 1.922 2.604 . 0 0 "[ . 1 . 2]" 1
123 1 18 ARG QB 1 82 ASN QB . . 3.530 2.815 2.558 3.350 . 0 0 "[ . 1 . 2]" 1
124 1 18 ARG QD 1 27 PRO HB2 . . 4.500 3.052 2.008 4.280 . 0 0 "[ . 1 . 2]" 1
125 1 18 ARG QD 1 27 PRO QG . . 5.070 3.327 2.541 4.563 . 0 0 "[ . 1 . 2]" 1
126 1 18 ARG HE 1 18 ARG QG . . 3.600 2.274 2.083 2.660 . 0 0 "[ . 1 . 2]" 1
127 1 18 ARG QG 1 19 VAL H . . 4.800 3.884 3.765 4.239 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL H 1 19 VAL MG1 . . 3.330 3.338 3.250 3.371 0.041 15 0 "[ . 1 . 2]" 1
129 1 19 VAL H 1 19 VAL MG2 . . 4.290 2.303 2.105 2.367 . 0 0 "[ . 1 . 2]" 1
130 1 19 VAL H 1 27 PRO HB2 . . 4.570 4.134 3.773 4.515 . 0 0 "[ . 1 . 2]" 1
131 1 19 VAL H 1 28 ILE H . . 4.110 3.595 3.139 3.879 . 0 0 "[ . 1 . 2]" 1
132 1 19 VAL HA 1 19 VAL MG1 . . 3.140 2.140 2.117 2.199 . 0 0 "[ . 1 . 2]" 1
133 1 19 VAL HA 1 19 VAL MG2 . . 3.280 3.191 3.180 3.201 . 0 0 "[ . 1 . 2]" 1
134 1 19 VAL HA 1 20 THR H . . 3.300 2.292 2.246 2.360 . 0 0 "[ . 1 . 2]" 1
135 1 19 VAL HA 1 20 THR HA . . 4.470 4.425 4.405 4.462 . 0 0 "[ . 1 . 2]" 1
136 1 19 VAL HA 1 27 PRO HA . . 4.100 3.856 3.636 4.107 0.007 7 0 "[ . 1 . 2]" 1
137 1 19 VAL HA 1 28 ILE MG . . 5.250 4.726 4.656 5.398 0.148 10 0 "[ . 1 . 2]" 1
138 1 19 VAL HA 1 84 VAL QG . . 5.440 4.508 4.251 4.995 . 0 0 "[ . 1 . 2]" 1
139 1 19 VAL HA 1 85 TYR HB3 . . 4.400 4.295 4.188 4.378 . 0 0 "[ . 1 . 2]" 1
140 1 19 VAL HB 1 47 PHE HZ . . 5.150 4.692 4.282 4.890 . 0 0 "[ . 1 . 2]" 1
141 1 19 VAL HB 1 85 TYR H . . 4.040 2.983 2.589 3.272 . 0 0 "[ . 1 . 2]" 1
142 1 19 VAL HB 1 85 TYR QD . . 3.610 2.117 1.978 2.422 . 0 0 "[ . 1 . 2]" 1
143 1 19 VAL MG1 1 20 THR H . . 4.450 3.598 3.534 3.688 . 0 0 "[ . 1 . 2]" 1
144 1 19 VAL MG1 1 55 TYR QD . . 3.540 3.587 3.560 3.635 0.095 1 0 "[ . 1 . 2]" 1
145 1 19 VAL MG1 1 55 TYR QE . . 3.980 2.900 2.787 3.005 . 0 0 "[ . 1 . 2]" 1
146 1 19 VAL MG1 1 82 ASN HA . . 4.520 3.942 3.875 4.007 . 0 0 "[ . 1 . 2]" 1
147 1 19 VAL MG1 1 84 VAL HA . . 4.690 4.092 3.908 4.189 . 0 0 "[ . 1 . 2]" 1
148 1 19 VAL MG1 1 85 TYR HA . . 4.520 4.100 3.926 4.245 . 0 0 "[ . 1 . 2]" 1
149 1 19 VAL MG1 1 85 TYR HB2 . . 4.240 3.617 3.392 3.821 . 0 0 "[ . 1 . 2]" 1
150 1 19 VAL MG1 1 85 TYR HB3 . . 3.360 2.501 2.398 2.736 . 0 0 "[ . 1 . 2]" 1
151 1 19 VAL MG1 1 85 TYR QD . . 4.820 3.723 3.615 3.976 . 0 0 "[ . 1 . 2]" 1
152 1 19 VAL MG2 1 20 THR H . . 3.840 3.777 3.675 3.846 0.006 19 0 "[ . 1 . 2]" 1
153 1 19 VAL MG2 1 20 THR HA . . 4.830 4.023 3.905 4.123 . 0 0 "[ . 1 . 2]" 1
154 1 19 VAL MG2 1 28 ILE MG . . 4.820 3.293 3.111 4.230 . 0 0 "[ . 1 . 2]" 1
155 1 19 VAL MG2 1 47 PHE QE . . 3.500 2.634 2.444 3.017 . 0 0 "[ . 1 . 2]" 1
156 1 19 VAL MG2 1 47 PHE HZ . . 3.690 2.450 1.968 2.620 . 0 0 "[ . 1 . 2]" 1
157 1 19 VAL MG2 1 80 TRP HZ3 . . 5.300 4.685 4.426 4.848 . 0 0 "[ . 1 . 2]" 1
158 1 19 VAL MG2 1 85 TYR HB2 . . 3.990 3.912 3.686 4.055 0.065 8 0 "[ . 1 . 2]" 1
159 1 19 VAL MG2 1 85 TYR HB3 . . 3.950 2.982 2.701 3.134 . 0 0 "[ . 1 . 2]" 1
160 1 19 VAL MG2 1 85 TYR QD . . 3.950 2.747 2.267 3.070 . 0 0 "[ . 1 . 2]" 1
161 1 20 THR H 1 27 PRO HA . . 4.030 3.613 3.403 3.804 . 0 0 "[ . 1 . 2]" 1
162 1 20 THR H 1 27 PRO HB3 . . 4.460 4.084 3.685 4.251 . 0 0 "[ . 1 . 2]" 1
163 1 20 THR H 1 84 VAL MG1 . . 4.920 3.730 3.232 4.988 0.068 8 0 "[ . 1 . 2]" 1
164 1 20 THR H 1 84 VAL QG . . 3.520 3.170 2.994 3.442 . 0 0 "[ . 1 . 2]" 1
165 1 20 THR H 1 84 VAL MG2 . . 4.920 3.660 3.384 4.865 . 0 0 "[ . 1 . 2]" 1
166 1 20 THR H 1 85 TYR HB3 . . 4.190 3.896 3.763 4.146 . 0 0 "[ . 1 . 2]" 1
167 1 20 THR HA 1 28 ILE H . . 4.650 3.136 2.911 3.311 . 0 0 "[ . 1 . 2]" 1
168 1 20 THR HA 1 28 ILE MG . . 3.940 2.666 2.507 2.783 . 0 0 "[ . 1 . 2]" 1
169 1 20 THR HA 1 47 PHE QE . . 4.410 3.476 3.213 3.753 . 0 0 "[ . 1 . 2]" 1
170 1 20 THR HA 1 47 PHE HZ . . 4.250 3.966 3.628 4.336 0.086 10 0 "[ . 1 . 2]" 1
171 1 20 THR HA 1 85 TYR QD . . 4.650 3.353 3.092 3.568 . 0 0 "[ . 1 . 2]" 1
172 1 20 THR HB 1 21 GLU H . . 5.020 3.669 3.584 3.746 . 0 0 "[ . 1 . 2]" 1
173 1 20 THR HB 1 26 GLU HA . . 4.720 4.307 4.198 4.491 . 0 0 "[ . 1 . 2]" 1
174 1 20 THR HB 1 27 PRO HA . . 3.370 1.968 1.945 1.979 . 0 0 "[ . 1 . 2]" 1
175 1 20 THR HB 1 27 PRO HB2 . . 4.920 4.653 4.615 4.671 . 0 0 "[ . 1 . 2]" 1
176 1 20 THR HB 1 27 PRO HB3 . . 4.090 3.853 3.779 3.906 . 0 0 "[ . 1 . 2]" 1
177 1 20 THR HB 1 27 PRO QD . . 5.350 4.104 3.997 4.225 . 0 0 "[ . 1 . 2]" 1
178 1 20 THR HB 1 28 ILE H . . 4.380 2.926 2.750 3.127 . 0 0 "[ . 1 . 2]" 1
179 1 20 THR HB 1 28 ILE MG . . 3.730 3.626 3.242 3.694 . 0 0 "[ . 1 . 2]" 1
180 1 21 GLU H 1 21 GLU HG3 . . 4.780 4.190 3.438 4.504 . 0 0 "[ . 1 . 2]" 1
181 1 21 GLU H 1 28 ILE MG . . 4.610 4.096 3.672 4.361 . 0 0 "[ . 1 . 2]" 1
182 1 21 GLU H 1 87 VAL QG . . 5.350 5.093 4.895 5.295 . 0 0 "[ . 1 . 2]" 1
183 1 21 GLU HA 1 21 GLU HG3 . . 4.170 3.090 2.869 3.469 . 0 0 "[ . 1 . 2]" 1
184 1 21 GLU HA 1 47 PHE QD . . 5.500 5.304 4.855 5.507 0.007 5 0 "[ . 1 . 2]" 1
185 1 21 GLU HA 1 84 VAL QG . . 4.320 3.624 3.403 4.542 0.222 13 0 "[ . 1 . 2]" 1
186 1 21 GLU HA 1 85 TYR H . . 4.930 3.890 3.619 4.285 . 0 0 "[ . 1 . 2]" 1
187 1 21 GLU HA 1 85 TYR QD . . 3.980 3.465 3.225 3.621 . 0 0 "[ . 1 . 2]" 1
188 1 21 GLU HA 1 85 TYR QE . . 4.360 2.971 2.679 3.244 . 0 0 "[ . 1 . 2]" 1
189 1 21 GLU HA 1 87 VAL H . . 5.140 4.397 4.026 4.818 . 0 0 "[ . 1 . 2]" 1
190 1 21 GLU HA 1 87 VAL QG . . 3.440 3.227 2.923 3.486 0.046 13 0 "[ . 1 . 2]" 1
191 1 21 GLU QB 1 22 ASP H . . 4.290 2.432 2.283 2.674 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLU QB 1 22 ASP HA . . 4.820 4.102 3.878 4.347 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLU QB 1 47 PHE QB . . 4.510 4.894 4.593 5.333 0.823 9 4 "[ - *. +1 . * 2]" 1
194 1 21 GLU QB 1 47 PHE QD . . 4.110 3.676 3.347 4.003 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLU QB 1 47 PHE QE . . 4.110 3.918 3.774 4.021 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLU QB 1 85 TYR QE . . 4.280 3.055 2.479 3.793 . 0 0 "[ . 1 . 2]" 1
197 1 21 GLU QB 1 87 VAL QG . . 4.280 3.419 3.276 3.599 . 0 0 "[ . 1 . 2]" 1
198 1 21 GLU HG2 1 84 VAL QG . . 5.240 5.092 4.808 5.979 0.739 13 1 "[ . 1 + . 2]" 1
199 1 21 GLU HG2 1 85 TYR QD . . 5.330 4.677 4.177 5.041 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLU HG2 1 85 TYR QE . . 4.330 3.587 2.905 4.109 . 0 0 "[ . 1 . 2]" 1
201 1 21 GLU HG2 1 87 VAL HA . . 4.860 4.899 4.600 5.127 0.267 10 0 "[ . 1 . 2]" 1
202 1 21 GLU HG2 1 87 VAL HB . . 4.710 4.636 4.251 4.843 0.133 8 0 "[ . 1 . 2]" 1
203 1 21 GLU HG2 1 87 VAL QG . . 3.200 2.004 1.874 2.149 . 0 0 "[ . 1 . 2]" 1
204 1 21 GLU HG3 1 47 PHE HA . . 5.500 4.722 4.012 5.172 . 0 0 "[ . 1 . 2]" 1
205 1 21 GLU HG3 1 47 PHE QB . . 4.580 4.096 3.580 4.312 . 0 0 "[ . 1 . 2]" 1
206 1 21 GLU HG3 1 85 TYR QE . . 4.240 3.387 2.490 3.785 . 0 0 "[ . 1 . 2]" 1
207 1 21 GLU HG3 1 87 VAL HA . . 5.500 5.452 4.962 6.443 0.943 9 4 "[ * *. +1 . - 2]" 1
208 1 21 GLU HG3 1 87 VAL QG . . 4.760 2.290 1.891 3.145 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASP H 1 22 ASP QB . . 3.500 2.503 2.164 3.213 . 0 0 "[ . 1 . 2]" 1
210 1 22 ASP HA 1 84 VAL QG . . 4.580 3.290 2.479 4.224 . 0 0 "[ . 1 . 2]" 1
211 1 22 ASP QB 1 23 GLU H . . 3.760 2.613 1.949 3.039 . 0 0 "[ . 1 . 2]" 1
212 1 22 ASP QB 1 23 GLU HA . . 4.580 4.427 4.274 4.588 0.008 12 0 "[ . 1 . 2]" 1
213 1 22 ASP QB 1 23 GLU QG . . 3.920 3.686 3.344 3.922 0.002 20 0 "[ . 1 . 2]" 1
214 1 22 ASP QB 1 24 ASN H . . 4.000 2.559 2.372 2.859 . 0 0 "[ . 1 . 2]" 1
215 1 23 GLU H 1 23 GLU QB . . 3.910 2.557 2.438 2.706 . 0 0 "[ . 1 . 2]" 1
216 1 23 GLU H 1 23 GLU QG . . 4.140 2.105 1.937 2.527 . 0 0 "[ . 1 . 2]" 1
217 1 23 GLU HA 1 23 GLU QG . . 3.490 3.285 2.594 3.445 . 0 0 "[ . 1 . 2]" 1
218 1 23 GLU HA 1 24 ASN HA . . 4.810 4.771 4.732 4.797 . 0 0 "[ . 1 . 2]" 1
219 1 23 GLU HA 1 84 VAL HB . . 4.310 4.190 2.999 4.550 0.240 10 0 "[ . 1 . 2]" 1
220 1 23 GLU HA 1 84 VAL QG . . 3.390 2.334 1.935 3.220 . 0 0 "[ . 1 . 2]" 1
221 1 23 GLU QB 1 24 ASN H . . 3.920 3.467 2.449 3.680 . 0 0 "[ . 1 . 2]" 1
222 1 23 GLU QG 1 24 ASN H . . 4.150 2.427 1.997 4.041 . 0 0 "[ . 1 . 2]" 1
223 1 24 ASN H 1 24 ASN HB2 . . 4.010 2.619 2.153 3.594 . 0 0 "[ . 1 . 2]" 1
224 1 24 ASN H 1 24 ASN QB . . 3.380 2.323 2.133 2.632 . 0 0 "[ . 1 . 2]" 1
225 1 24 ASN H 1 24 ASN HB3 . . 4.010 3.008 2.341 3.595 . 0 0 "[ . 1 . 2]" 1
226 1 24 ASN QB 1 25 ASP H . . 4.160 2.997 2.630 3.582 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASP H 1 25 ASP HB2 . . 3.810 2.509 2.170 3.719 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASP H 1 25 ASP QB . . 3.330 2.319 2.120 2.599 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASP H 1 25 ASP HB3 . . 3.810 3.029 2.324 3.642 . 0 0 "[ . 1 . 2]" 1
230 1 25 ASP HA 1 26 GLU QB . . 4.750 4.268 4.023 4.511 . 0 0 "[ . 1 . 2]" 1
231 1 25 ASP HA 1 26 GLU QG . . 5.500 4.628 3.740 5.513 0.013 13 0 "[ . 1 . 2]" 1
232 1 25 ASP QB 1 26 GLU H . . 3.770 2.854 1.930 3.711 . 0 0 "[ . 1 . 2]" 1
233 1 25 ASP HB2 1 26 GLU H . . 4.630 3.811 3.137 4.376 . 0 0 "[ . 1 . 2]" 1
234 1 25 ASP HB3 1 26 GLU H . . 4.630 3.040 1.946 4.280 . 0 0 "[ . 1 . 2]" 1
235 1 26 GLU H 1 26 GLU QB . . 3.370 2.312 2.050 2.662 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLU H 1 26 GLU QG . . 4.480 3.199 2.426 4.043 . 0 0 "[ . 1 . 2]" 1
237 1 26 GLU HA 1 27 PRO QD . . 2.430 2.123 2.057 2.158 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLU QB 1 27 PRO HD2 . . 3.820 2.033 1.941 2.608 . 0 0 "[ . 1 . 2]" 1
239 1 26 GLU QB 1 27 PRO QD . . 3.240 2.016 1.927 2.555 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLU QB 1 27 PRO HD3 . . 3.820 3.371 3.259 3.667 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLU QG 1 27 PRO HD2 . . 4.270 2.735 1.981 3.305 . 0 0 "[ . 1 . 2]" 1
242 1 26 GLU QG 1 27 PRO QD . . 3.700 2.659 1.969 3.154 . 0 0 "[ . 1 . 2]" 1
243 1 26 GLU QG 1 27 PRO HD3 . . 4.270 3.672 3.055 4.305 0.035 16 0 "[ . 1 . 2]" 1
244 1 27 PRO HA 1 28 ILE H . . 3.110 2.162 2.150 2.194 . 0 0 "[ . 1 . 2]" 1
245 1 27 PRO HA 1 28 ILE MG . . 3.750 3.628 3.514 3.677 . 0 0 "[ . 1 . 2]" 1
246 1 27 PRO HB2 1 28 ILE H . . 4.080 3.748 3.445 3.943 . 0 0 "[ . 1 . 2]" 1
247 1 28 ILE H 1 28 ILE HG12 . . 4.770 4.580 3.345 4.764 . 0 0 "[ . 1 . 2]" 1
248 1 28 ILE H 1 28 ILE QG . . 4.170 3.962 2.550 4.087 . 0 0 "[ . 1 . 2]" 1
249 1 28 ILE H 1 28 ILE HG13 . . 4.770 4.369 2.644 4.753 . 0 0 "[ . 1 . 2]" 1
250 1 28 ILE H 1 28 ILE MG . . 3.930 1.929 1.893 1.971 . 0 0 "[ . 1 . 2]" 1
251 1 28 ILE HA 1 28 ILE MD . . 4.240 2.452 1.960 3.597 . 0 0 "[ . 1 . 2]" 1
252 1 28 ILE HA 1 28 ILE MG . . 3.220 3.165 2.508 3.201 . 0 0 "[ . 1 . 2]" 1
253 1 28 ILE HB 1 28 ILE MD . . 3.580 2.572 2.044 3.158 . 0 0 "[ . 1 . 2]" 1
254 1 28 ILE HB 1 47 PHE QE . . 4.620 4.368 4.116 4.634 0.014 19 0 "[ . 1 . 2]" 1
255 1 28 ILE HB 1 47 PHE HZ . . 5.090 4.725 4.629 4.991 . 0 0 "[ . 1 . 2]" 1
256 1 28 ILE MD 1 46 GLN QG . . 4.520 3.021 1.887 3.849 . 0 0 "[ . 1 . 2]" 1
257 1 28 ILE QG 1 28 ILE MG . . 2.810 2.210 2.097 2.523 . 0 0 "[ . 1 . 2]" 1
258 1 28 ILE QG 1 29 GLU H . . 4.280 2.619 1.987 3.636 . 0 0 "[ . 1 . 2]" 1
259 1 28 ILE QG 1 47 PHE QE . . 5.340 4.193 2.156 4.622 . 0 0 "[ . 1 . 2]" 1
260 1 28 ILE MG 1 29 GLU H . . 4.130 3.942 3.853 4.051 . 0 0 "[ . 1 . 2]" 1
261 1 28 ILE MG 1 46 GLN H . . 5.500 5.547 5.509 5.627 0.127 10 0 "[ . 1 . 2]" 1
262 1 28 ILE MG 1 46 GLN HB2 . . 5.040 3.336 3.205 3.554 . 0 0 "[ . 1 . 2]" 1
263 1 28 ILE MG 1 46 GLN QG . . 3.370 3.083 2.790 3.252 . 0 0 "[ . 1 . 2]" 1
264 1 28 ILE MG 1 47 PHE QD . . 4.250 4.072 3.901 4.242 . 0 0 "[ . 1 . 2]" 1
265 1 28 ILE MG 1 47 PHE QE . . 4.170 2.279 2.014 2.606 . 0 0 "[ . 1 . 2]" 1
266 1 28 ILE MG 1 47 PHE HZ . . 4.230 2.121 1.951 3.721 . 0 0 "[ . 1 . 2]" 1
267 1 29 GLU H 1 29 GLU QG . . 3.670 2.147 1.908 4.042 0.372 19 0 "[ . 1 . 2]" 1
268 1 29 GLU HA 1 30 ILE H . . 3.290 2.139 2.135 2.144 . 0 0 "[ . 1 . 2]" 1
269 1 29 GLU HA 1 30 ILE HG13 . . 4.270 3.831 3.686 4.811 0.541 10 1 "[ . + . 2]" 1
270 1 29 GLU HA 1 30 ILE MG . . 4.680 4.443 4.226 4.596 . 0 0 "[ . 1 . 2]" 1
271 1 29 GLU QB 1 30 ILE HA . . 4.940 4.375 4.167 4.697 . 0 0 "[ . 1 . 2]" 1
272 1 30 ILE H 1 30 ILE HB . . 3.790 3.623 3.546 3.749 . 0 0 "[ . 1 . 2]" 1
273 1 30 ILE H 1 30 ILE MD . . 4.720 3.682 3.657 3.766 . 0 0 "[ . 1 . 2]" 1
274 1 30 ILE H 1 30 ILE HG12 . . 3.990 2.645 2.088 2.721 . 0 0 "[ . 1 . 2]" 1
275 1 30 ILE H 1 30 ILE HG13 . . 3.550 2.014 1.947 2.789 . 0 0 "[ . 1 . 2]" 1
276 1 30 ILE H 1 30 ILE MG . . 4.330 3.442 3.226 3.567 . 0 0 "[ . 1 . 2]" 1
277 1 30 ILE H 1 31 PRO HA . . 5.500 5.223 5.194 5.255 . 0 0 "[ . 1 . 2]" 1
278 1 30 ILE HA 1 30 ILE MG . . 3.040 2.109 1.987 2.199 . 0 0 "[ . 1 . 2]" 1
279 1 30 ILE HA 1 31 PRO QD . . 3.700 2.141 2.103 2.151 . 0 0 "[ . 1 . 2]" 1
280 1 30 ILE HA 1 42 THR MG . . 5.280 3.896 3.767 3.995 . 0 0 "[ . 1 . 2]" 1
281 1 30 ILE HB 1 30 ILE MD . . 3.260 2.280 2.209 2.428 . 0 0 "[ . 1 . 2]" 1
282 1 30 ILE HB 1 38 VAL QG . . 4.380 3.989 3.807 4.123 . 0 0 "[ . 1 . 2]" 1
283 1 30 ILE HB 1 42 THR HB . . 4.310 4.278 4.128 4.320 0.010 16 0 "[ . 1 . 2]" 1
284 1 30 ILE HB 1 42 THR MG . . 2.950 2.004 1.945 2.136 . 0 0 "[ . 1 . 2]" 1
285 1 30 ILE HB 1 45 ALA MB . . 5.090 4.814 4.248 5.322 0.232 11 0 "[ . 1 . 2]" 1
286 1 30 ILE HB 1 46 GLN QG . . 5.030 4.558 4.125 5.162 0.132 13 0 "[ . 1 . 2]" 1
287 1 30 ILE MD 1 38 VAL QG . . 2.840 2.496 2.293 2.741 . 0 0 "[ . 1 . 2]" 1
288 1 30 ILE MD 1 42 THR MG . . 3.910 2.223 1.918 2.495 . 0 0 "[ . 1 . 2]" 1
289 1 30 ILE MD 1 43 VAL HA . . 3.050 3.231 2.884 3.282 0.232 6 0 "[ . 1 . 2]" 1
290 1 30 ILE MD 1 45 ALA MB . . 4.830 4.236 3.295 4.828 . 0 0 "[ . 1 . 2]" 1
291 1 30 ILE MD 1 47 PHE QD . . 4.240 3.644 3.430 3.854 . 0 0 "[ . 1 . 2]" 1
292 1 30 ILE MD 1 47 PHE QE . . 3.520 2.262 1.926 2.629 . 0 0 "[ . 1 . 2]" 1
293 1 30 ILE MD 1 47 PHE HZ . . 3.820 3.386 2.976 3.708 . 0 0 "[ . 1 . 2]" 1
294 1 30 ILE HG12 1 46 GLN QG . . 4.210 3.819 3.441 4.147 . 0 0 "[ . 1 . 2]" 1
295 1 30 ILE HG12 1 47 PHE QE . . 4.920 3.836 3.488 4.277 . 0 0 "[ . 1 . 2]" 1
296 1 30 ILE HG12 1 47 PHE HZ . . 4.100 3.705 3.323 4.165 0.065 10 0 "[ . 1 . 2]" 1
297 1 30 ILE MG 1 31 PRO QD . . 4.160 2.211 1.934 2.724 . 0 0 "[ . 1 . 2]" 1
298 1 30 ILE MG 1 42 THR HA . . 4.940 4.433 4.147 4.654 . 0 0 "[ . 1 . 2]" 1
299 1 30 ILE MG 1 42 THR MG . . 3.220 2.452 2.177 2.613 . 0 0 "[ . 1 . 2]" 1
300 1 30 ILE MG 1 46 GLN H . . 4.100 3.959 3.818 4.081 . 0 0 "[ . 1 . 2]" 1
301 1 30 ILE MG 1 46 GLN QG . . 4.360 2.122 1.843 2.469 . 0 0 "[ . 1 . 2]" 1
302 1 31 PRO HA 1 32 SER H . . 3.420 2.229 2.162 2.344 . 0 0 "[ . 1 . 2]" 1
303 1 31 PRO HA 1 32 SER QB . . 4.570 4.131 3.880 4.574 0.004 13 0 "[ . 1 . 2]" 1
304 1 31 PRO QB 1 32 SER H . . 4.620 2.985 2.672 3.249 . 0 0 "[ . 1 . 2]" 1
305 1 31 PRO QD 1 42 THR MG . . 3.200 2.179 2.000 2.380 . 0 0 "[ . 1 . 2]" 1
306 1 31 PRO QD 1 45 ALA MB . . 4.670 4.468 4.082 4.784 0.114 14 0 "[ . 1 . 2]" 1
307 1 32 SER HA 1 38 VAL MG1 . . 4.510 3.174 2.854 3.485 . 0 0 "[ . 1 . 2]" 1
308 1 32 SER HA 1 38 VAL QG . . 3.580 2.553 2.375 2.865 . 0 0 "[ . 1 . 2]" 1
309 1 32 SER HA 1 38 VAL MG2 . . 4.510 2.696 2.470 3.047 . 0 0 "[ . 1 . 2]" 1
310 1 32 SER QB 1 33 GLU H . . 4.300 2.540 2.129 3.175 . 0 0 "[ . 1 . 2]" 1
311 1 32 SER QB 1 38 VAL HA . . 4.170 2.956 2.779 3.070 . 0 0 "[ . 1 . 2]" 1
312 1 32 SER QB 1 38 VAL MG1 . . 4.140 3.580 3.457 3.764 . 0 0 "[ . 1 . 2]" 1
313 1 32 SER QB 1 38 VAL QG . . 3.540 1.859 1.779 1.901 . 0 0 "[ . 1 . 2]" 1
314 1 32 SER QB 1 38 VAL MG2 . . 4.140 1.865 1.785 1.908 . 0 0 "[ . 1 . 2]" 1
315 1 32 SER QB 1 39 LEU H . . 5.070 4.674 4.474 4.735 . 0 0 "[ . 1 . 2]" 1
316 1 32 SER QB 1 80 TRP HD1 . . 4.500 4.100 3.938 4.172 . 0 0 "[ . 1 . 2]" 1
317 1 32 SER QB 1 80 TRP HZ2 . . 4.420 3.981 3.834 4.256 . 0 0 "[ . 1 . 2]" 1
318 1 33 GLU H 1 38 VAL HA . . 4.120 2.620 2.302 2.915 . 0 0 "[ . 1 . 2]" 1
319 1 33 GLU H 1 38 VAL MG1 . . 4.440 4.373 4.075 4.603 0.163 8 0 "[ . 1 . 2]" 1
320 1 33 GLU H 1 38 VAL QG . . 3.890 3.287 3.052 3.539 . 0 0 "[ . 1 . 2]" 1
321 1 33 GLU H 1 38 VAL MG2 . . 4.440 3.403 3.128 3.733 . 0 0 "[ . 1 . 2]" 1
322 1 33 GLU QB 1 37 THR H . . 4.590 2.829 2.530 3.160 . 0 0 "[ . 1 . 2]" 1
323 1 33 GLU QB 1 37 THR MG . . 4.290 3.843 3.611 4.097 . 0 0 "[ . 1 . 2]" 1
324 1 33 GLU QB 1 38 VAL HA . . 3.590 3.620 3.219 3.973 0.383 10 0 "[ . 1 . 2]" 1
325 1 33 GLU QB 1 39 LEU H . . 4.370 4.028 3.470 4.575 0.205 1 0 "[ . 1 . 2]" 1
326 1 33 GLU QG 1 34 ASP H . . 4.270 3.085 1.942 4.152 . 0 0 "[ . 1 . 2]" 1
327 1 33 GLU QG 1 37 THR H . . 5.400 4.550 4.117 5.060 . 0 0 "[ . 1 . 2]" 1
328 1 34 ASP H 1 34 ASP QB . . 3.390 2.428 2.195 2.670 . 0 0 "[ . 1 . 2]" 1
329 1 34 ASP QB 1 35 ASP H . . 4.650 3.199 2.636 3.569 . 0 0 "[ . 1 . 2]" 1
330 1 35 ASP QB 1 37 THR MG . . 3.610 2.830 2.427 3.221 . 0 0 "[ . 1 . 2]" 1
331 1 36 GLY H 1 37 THR H . . 4.340 2.326 1.874 2.597 . 0 0 "[ . 1 . 2]" 1
332 1 37 THR H 1 37 THR MG . . 3.540 2.320 2.130 2.750 . 0 0 "[ . 1 . 2]" 1
333 1 37 THR H 1 72 ILE MG . . 4.580 4.421 4.355 4.493 . 0 0 "[ . 1 . 2]" 1
334 1 37 THR HA 1 37 THR MG . . 3.010 2.420 2.324 2.441 . 0 0 "[ . 1 . 2]" 1
335 1 37 THR HA 1 72 ILE MG . . 4.230 3.857 3.780 3.925 . 0 0 "[ . 1 . 2]" 1
336 1 37 THR HA 1 75 ALA HA . . 5.220 4.961 4.844 4.997 . 0 0 "[ . 1 . 2]" 1
337 1 37 THR HA 1 80 TRP HZ2 . . 3.420 2.282 2.205 2.422 . 0 0 "[ . 1 . 2]" 1
338 1 37 THR HB 1 38 VAL H . . 3.340 2.027 1.941 2.091 . 0 0 "[ . 1 . 2]" 1
339 1 37 THR HB 1 72 ILE MG . . 3.020 1.947 1.903 2.086 . 0 0 "[ . 1 . 2]" 1
340 1 37 THR HB 1 73 LEU H . . 5.040 4.221 3.932 4.405 . 0 0 "[ . 1 . 2]" 1
341 1 37 THR HB 1 75 ALA H . . 4.320 4.207 4.030 4.323 0.003 1 0 "[ . 1 . 2]" 1
342 1 37 THR HB 1 80 TRP HZ2 . . 4.040 3.969 3.889 4.031 . 0 0 "[ . 1 . 2]" 1
343 1 37 THR MG 1 38 VAL H . . 4.940 3.662 3.600 3.712 . 0 0 "[ . 1 . 2]" 1
344 1 37 THR MG 1 74 HIS H . . 4.550 4.042 3.851 4.237 . 0 0 "[ . 1 . 2]" 1
345 1 37 THR MG 1 74 HIS HA . . 3.770 2.102 1.946 2.282 . 0 0 "[ . 1 . 2]" 1
346 1 37 THR MG 1 74 HIS HB2 . . 3.380 2.367 2.053 2.887 . 0 0 "[ . 1 . 2]" 1
347 1 37 THR MG 1 74 HIS HE1 . . 4.100 3.555 3.334 3.814 . 0 0 "[ . 1 . 2]" 1
348 1 37 THR MG 1 75 ALA H . . 3.500 2.887 2.624 3.010 . 0 0 "[ . 1 . 2]" 1
349 1 37 THR MG 1 75 ALA MB . . 4.000 4.053 3.624 4.605 0.605 10 5 "[* . + .*-* 2]" 1
350 1 37 THR MG 1 80 TRP HZ2 . . 4.410 4.317 4.192 4.389 . 0 0 "[ . 1 . 2]" 1
351 1 38 VAL H 1 38 VAL HB . . 3.770 2.728 2.668 2.758 . 0 0 "[ . 1 . 2]" 1
352 1 38 VAL H 1 38 VAL MG1 . . 4.530 3.845 3.821 3.864 . 0 0 "[ . 1 . 2]" 1
353 1 38 VAL H 1 38 VAL QG . . 3.680 2.956 2.876 3.003 . 0 0 "[ . 1 . 2]" 1
354 1 38 VAL H 1 38 VAL MG2 . . 4.530 3.073 2.968 3.138 . 0 0 "[ . 1 . 2]" 1
355 1 38 VAL H 1 72 ILE HA . . 4.100 4.121 4.102 4.156 0.056 18 0 "[ . 1 . 2]" 1
356 1 38 VAL H 1 72 ILE MG . . 3.560 2.260 2.099 2.376 . 0 0 "[ . 1 . 2]" 1
357 1 38 VAL H 1 73 LEU H . . 4.360 3.199 2.979 3.375 . 0 0 "[ . 1 . 2]" 1
358 1 38 VAL H 1 73 LEU HB2 . . 4.380 3.506 3.247 3.691 . 0 0 "[ . 1 . 2]" 1
359 1 38 VAL H 1 80 TRP HZ2 . . 3.970 2.944 2.791 3.037 . 0 0 "[ . 1 . 2]" 1
360 1 38 VAL HA 1 38 VAL MG1 . . 3.070 2.418 2.385 2.458 . 0 0 "[ . 1 . 2]" 1
361 1 38 VAL HA 1 38 VAL MG2 . . 3.070 2.365 2.330 2.397 . 0 0 "[ . 1 . 2]" 1
362 1 38 VAL HA 1 39 LEU H . . 3.280 2.145 2.139 2.177 . 0 0 "[ . 1 . 2]" 1
363 1 38 VAL HA 1 73 LEU H . . 5.190 4.933 4.759 5.150 . 0 0 "[ . 1 . 2]" 1
364 1 38 VAL HA 1 80 TRP HZ2 . . 4.190 4.229 4.199 4.250 0.060 17 0 "[ . 1 . 2]" 1
365 1 38 VAL HB 1 73 LEU HB2 . . 3.480 2.337 2.067 2.471 . 0 0 "[ . 1 . 2]" 1
366 1 38 VAL HB 1 80 TRP HH2 . . 4.360 3.334 3.155 3.472 . 0 0 "[ . 1 . 2]" 1
367 1 38 VAL HB 1 80 TRP HZ2 . . 4.000 3.109 2.994 3.160 . 0 0 "[ . 1 . 2]" 1
368 1 38 VAL QG 1 39 LEU H . . 3.760 2.647 2.343 3.040 . 0 0 "[ . 1 . 2]" 1
369 1 38 VAL QG 1 39 LEU QB . . 5.040 3.630 3.499 3.907 . 0 0 "[ . 1 . 2]" 1
370 1 38 VAL QG 1 42 THR HB . . 3.320 2.192 1.948 2.338 . 0 0 "[ . 1 . 2]" 1
371 1 38 VAL QG 1 43 VAL HA . . 4.700 3.602 3.370 3.851 . 0 0 "[ . 1 . 2]" 1
372 1 38 VAL QG 1 43 VAL MG2 . . 3.670 2.028 1.833 2.316 . 0 0 "[ . 1 . 2]" 1
373 1 38 VAL QG 1 73 LEU H . . 5.050 3.648 3.482 3.808 . 0 0 "[ . 1 . 2]" 1
374 1 38 VAL QG 1 73 LEU HB2 . . 3.440 3.152 2.880 3.265 . 0 0 "[ . 1 . 2]" 1
375 1 38 VAL QG 1 75 ALA MB . . 4.430 4.137 3.910 4.530 0.100 6 0 "[ . 1 . 2]" 1
376 1 38 VAL QG 1 80 TRP HE3 . . 4.760 4.568 4.477 4.649 . 0 0 "[ . 1 . 2]" 1
377 1 38 VAL QG 1 80 TRP HZ2 . . 3.830 2.109 2.032 2.211 . 0 0 "[ . 1 . 2]" 1
378 1 38 VAL QG 1 80 TRP HZ3 . . 5.440 4.264 4.114 4.344 . 0 0 "[ . 1 . 2]" 1
379 1 38 VAL MG1 1 39 LEU H . . 4.320 2.689 2.363 3.126 . 0 0 "[ . 1 . 2]" 1
380 1 38 VAL MG1 1 73 LEU HB2 . . 4.150 3.369 3.026 3.515 . 0 0 "[ . 1 . 2]" 1
381 1 38 VAL MG1 1 80 TRP HH2 . . 4.810 4.695 4.522 4.817 0.007 1 0 "[ . 1 . 2]" 1
382 1 38 VAL MG1 1 80 TRP HZ2 . . 4.370 4.401 4.335 4.434 0.064 3 0 "[ . 1 . 2]" 1
383 1 38 VAL MG2 1 39 LEU H . . 4.320 3.977 3.854 4.150 . 0 0 "[ . 1 . 2]" 1
384 1 38 VAL MG2 1 73 LEU HB2 . . 4.150 3.798 3.614 3.942 . 0 0 "[ . 1 . 2]" 1
385 1 38 VAL MG2 1 80 TRP HH2 . . 4.810 3.390 3.255 3.465 . 0 0 "[ . 1 . 2]" 1
386 1 38 VAL MG2 1 80 TRP HZ2 . . 4.370 2.114 2.036 2.217 . 0 0 "[ . 1 . 2]" 1
387 1 39 LEU H 1 39 LEU QB . . 3.550 2.137 2.018 2.430 . 0 0 "[ . 1 . 2]" 1
388 1 39 LEU H 1 39 LEU QD . . 4.230 3.078 2.159 3.634 . 0 0 "[ . 1 . 2]" 1
389 1 39 LEU H 1 39 LEU HG . . 3.950 3.824 2.261 4.545 0.595 15 7 "[ ***. * * - + 2]" 1
390 1 39 LEU H 1 72 ILE HA . . 4.710 4.817 4.225 5.016 0.306 18 0 "[ . 1 . 2]" 1
391 1 39 LEU HA 1 39 LEU QD . . 2.750 2.147 1.920 2.636 . 0 0 "[ . 1 . 2]" 1
392 1 39 LEU HA 1 39 LEU HG . . 4.180 2.966 2.412 3.699 . 0 0 "[ . 1 . 2]" 1
393 1 39 LEU HA 1 72 ILE HB . . 5.080 4.703 3.956 4.947 . 0 0 "[ . 1 . 2]" 1
394 1 39 LEU HA 1 72 ILE HG12 . . 4.380 2.909 2.010 3.400 . 0 0 "[ . 1 . 2]" 1
395 1 39 LEU HA 1 72 ILE HG13 . . 4.540 2.721 1.975 3.157 . 0 0 "[ . 1 . 2]" 1
396 1 39 LEU HA 1 72 ILE MG . . 4.670 2.845 2.124 3.146 . 0 0 "[ . 1 . 2]" 1
397 1 39 LEU HA 1 73 LEU H . . 4.510 4.217 3.792 4.477 . 0 0 "[ . 1 . 2]" 1
398 1 39 LEU QB 1 39 LEU QD . . 2.720 1.920 1.813 2.048 . 0 0 "[ . 1 . 2]" 1
399 1 39 LEU QB 1 40 LEU H . . 3.770 3.119 2.755 3.515 . 0 0 "[ . 1 . 2]" 1
400 1 39 LEU QB 1 40 LEU HA . . 4.790 4.611 4.488 4.844 0.054 15 0 "[ . 1 . 2]" 1
401 1 39 LEU QB 1 41 SER H . . 4.310 2.477 2.190 2.996 . 0 0 "[ . 1 . 2]" 1
402 1 39 LEU QB 1 41 SER QB . . 3.670 2.939 2.483 3.541 . 0 0 "[ . 1 . 2]" 1
403 1 39 LEU QB 1 42 THR H . . 3.640 2.775 2.489 3.116 . 0 0 "[ . 1 . 2]" 1
404 1 39 LEU QB 1 72 ILE HG13 . . 4.500 4.549 3.713 5.056 0.556 4 1 "[ +. 1 . 2]" 1
405 1 39 LEU HB2 1 40 LEU H . . 4.390 4.197 3.950 4.318 . 0 0 "[ . 1 . 2]" 1
406 1 39 LEU HB2 1 42 THR H . . 4.310 3.775 3.024 4.310 0.000 10 0 "[ . 1 . 2]" 1
407 1 39 LEU HB3 1 40 LEU H . . 4.390 3.230 2.803 3.776 . 0 0 "[ . 1 . 2]" 1
408 1 39 LEU HB3 1 42 THR H . . 4.310 2.965 2.506 3.648 . 0 0 "[ . 1 . 2]" 1
409 1 39 LEU QD 1 40 LEU H . . 3.290 2.729 1.958 3.286 . 0 0 "[ . 1 . 2]" 1
410 1 39 LEU QD 1 40 LEU HB2 . . 5.440 4.318 3.328 5.054 . 0 0 "[ . 1 . 2]" 1
411 1 39 LEU QD 1 72 ILE HG12 . . 2.920 2.325 1.936 2.840 . 0 0 "[ . 1 . 2]" 1
412 1 39 LEU QD 1 72 ILE HG13 . . 3.620 2.625 2.120 3.143 . 0 0 "[ . 1 . 2]" 1
413 1 40 LEU H 1 40 LEU HB2 . . 3.630 2.314 2.048 2.482 . 0 0 "[ . 1 . 2]" 1
414 1 40 LEU H 1 40 LEU QD . . 4.260 3.636 3.533 3.703 . 0 0 "[ . 1 . 2]" 1
415 1 40 LEU H 1 41 SER HA . . 5.450 5.222 5.181 5.340 . 0 0 "[ . 1 . 2]" 1
416 1 40 LEU H 1 43 VAL HB . . 5.150 5.127 4.852 5.198 0.048 4 0 "[ . 1 . 2]" 1
417 1 40 LEU H 1 68 LEU QD . . 5.440 5.333 4.740 5.407 . 0 0 "[ . 1 . 2]" 1
418 1 40 LEU H 1 72 ILE HA . . 4.110 3.088 2.671 3.243 . 0 0 "[ . 1 . 2]" 1
419 1 40 LEU H 1 72 ILE HB . . 5.500 5.418 5.011 5.517 0.017 9 0 "[ . 1 . 2]" 1
420 1 40 LEU H 1 72 ILE HG13 . . 3.580 2.916 2.439 3.152 . 0 0 "[ . 1 . 2]" 1
421 1 40 LEU H 1 72 ILE MG . . 4.540 4.260 3.965 4.319 . 0 0 "[ . 1 . 2]" 1
422 1 40 LEU HA 1 40 LEU QD . . 2.990 2.197 1.906 2.706 . 0 0 "[ . 1 . 2]" 1
423 1 40 LEU HA 1 43 VAL H . . 4.190 3.153 3.023 3.332 . 0 0 "[ . 1 . 2]" 1
424 1 40 LEU HA 1 43 VAL HA . . 5.500 5.064 4.883 5.173 . 0 0 "[ . 1 . 2]" 1
425 1 40 LEU HA 1 43 VAL HB . . 4.040 2.412 2.156 2.498 . 0 0 "[ . 1 . 2]" 1
426 1 40 LEU HA 1 43 VAL MG2 . . 3.360 2.584 2.412 2.821 . 0 0 "[ . 1 . 2]" 1
427 1 40 LEU HA 1 44 THR H . . 5.250 4.226 3.891 4.412 . 0 0 "[ . 1 . 2]" 1
428 1 40 LEU HA 1 73 LEU H . . 5.500 4.382 4.225 4.613 . 0 0 "[ . 1 . 2]" 1
429 1 40 LEU HB2 1 40 LEU HG . . 2.540 2.602 2.310 3.018 0.478 18 0 "[ . 1 . 2]" 1
430 1 40 LEU HB2 1 43 VAL HB . . 4.890 4.780 4.586 5.038 0.148 19 0 "[ . 1 . 2]" 1
431 1 40 LEU HB2 1 43 VAL MG2 . . 4.850 4.657 4.466 5.038 0.188 19 0 "[ . 1 . 2]" 1
432 1 40 LEU HB2 1 68 LEU QD . . 5.080 4.201 3.994 4.498 . 0 0 "[ . 1 . 2]" 1
433 1 40 LEU HB2 1 72 ILE HG13 . . 4.090 3.909 3.780 3.990 . 0 0 "[ . 1 . 2]" 1
434 1 40 LEU HB3 1 40 LEU QD . . 2.740 2.130 2.028 2.302 . 0 0 "[ . 1 . 2]" 1
435 1 40 LEU HB3 1 41 SER H . . 4.400 3.012 2.748 3.213 . 0 0 "[ . 1 . 2]" 1
436 1 40 LEU HB3 1 41 SER HA . . 4.140 4.137 3.876 4.319 0.179 18 0 "[ . 1 . 2]" 1
437 1 40 LEU HB3 1 43 VAL HB . . 4.880 4.918 4.396 5.104 0.224 15 0 "[ . 1 . 2]" 1
438 1 40 LEU QD 1 41 SER H . . 4.280 3.783 3.239 4.200 . 0 0 "[ . 1 . 2]" 1
439 1 40 LEU QD 1 41 SER HA . . 4.100 3.678 2.858 4.489 0.389 13 0 "[ . 1 . 2]" 1
440 1 40 LEU QD 1 42 THR H . . 5.210 4.740 4.225 4.951 . 0 0 "[ . 1 . 2]" 1
441 1 40 LEU QD 1 43 VAL H . . 4.310 3.822 3.451 4.130 . 0 0 "[ . 1 . 2]" 1
442 1 40 LEU QD 1 43 VAL HB . . 3.180 2.342 1.957 2.754 . 0 0 "[ . 1 . 2]" 1
443 1 40 LEU QD 1 44 THR H . . 3.880 3.315 2.956 3.702 . 0 0 "[ . 1 . 2]" 1
444 1 41 SER H 1 41 SER HB2 . . 4.140 2.712 2.239 3.590 . 0 0 "[ . 1 . 2]" 1
445 1 41 SER H 1 41 SER QB . . 3.640 2.306 2.150 2.610 . 0 0 "[ . 1 . 2]" 1
446 1 41 SER H 1 41 SER HB3 . . 4.140 2.814 2.210 3.598 . 0 0 "[ . 1 . 2]" 1
447 1 41 SER H 1 43 VAL HB . . 4.970 4.984 4.847 5.108 0.138 4 0 "[ . 1 . 2]" 1
448 1 41 SER HA 1 44 THR H . . 4.580 3.775 3.642 3.915 . 0 0 "[ . 1 . 2]" 1
449 1 42 THR H 1 42 THR HB . . 3.830 2.650 2.536 2.701 . 0 0 "[ . 1 . 2]" 1
450 1 42 THR H 1 42 THR MG . . 4.350 3.788 3.764 3.811 . 0 0 "[ . 1 . 2]" 1
451 1 42 THR H 1 43 VAL H . . 3.620 2.409 2.269 2.545 . 0 0 "[ . 1 . 2]" 1
452 1 42 THR H 1 43 VAL MG2 . . 4.520 4.174 3.962 4.342 . 0 0 "[ . 1 . 2]" 1
453 1 42 THR HA 1 42 THR MG . . 3.180 2.307 2.180 2.377 . 0 0 "[ . 1 . 2]" 1
454 1 42 THR HA 1 43 VAL HA . . 5.500 4.796 4.756 4.809 . 0 0 "[ . 1 . 2]" 1
455 1 42 THR HA 1 44 THR H . . 5.500 4.246 4.132 4.672 . 0 0 "[ . 1 . 2]" 1
456 1 42 THR HA 1 45 ALA H . . 4.370 3.314 3.248 3.523 . 0 0 "[ . 1 . 2]" 1
457 1 42 THR HA 1 45 ALA MB . . 3.600 2.386 2.019 3.294 . 0 0 "[ . 1 . 2]" 1
458 1 42 THR HB 1 43 VAL H . . 3.600 2.874 2.755 3.052 . 0 0 "[ . 1 . 2]" 1
459 1 42 THR HB 1 43 VAL HA . . 4.560 4.152 4.107 4.258 . 0 0 "[ . 1 . 2]" 1
460 1 42 THR HB 1 43 VAL MG2 . . 4.670 3.599 3.534 3.715 . 0 0 "[ . 1 . 2]" 1
461 1 42 THR MG 1 43 VAL H . . 4.400 3.850 3.721 3.928 . 0 0 "[ . 1 . 2]" 1
462 1 42 THR MG 1 43 VAL HA . . 3.910 3.890 3.664 3.926 0.016 10 0 "[ . 1 . 2]" 1
463 1 43 VAL H 1 43 VAL HB . . 3.350 2.359 2.321 2.381 . 0 0 "[ . 1 . 2]" 1
464 1 43 VAL H 1 43 VAL MG2 . . 2.950 2.568 2.500 2.657 . 0 0 "[ . 1 . 2]" 1
465 1 43 VAL H 1 44 THR H . . 3.720 2.610 2.509 2.630 . 0 0 "[ . 1 . 2]" 1
466 1 43 VAL HA 1 43 VAL MG1 . . 3.110 2.470 2.440 2.506 . 0 0 "[ . 1 . 2]" 1
467 1 43 VAL HA 1 43 VAL MG2 . . 3.260 2.153 2.118 2.235 . 0 0 "[ . 1 . 2]" 1
468 1 43 VAL HA 1 44 THR HA . . 4.780 4.699 4.685 4.745 . 0 0 "[ . 1 . 2]" 1
469 1 43 VAL HA 1 45 ALA MB . . 4.660 4.603 4.088 5.165 0.505 16 1 "[ . 1 .+ 2]" 1
470 1 43 VAL HA 1 46 GLN HB2 . . 4.840 4.790 4.648 4.964 0.124 8 0 "[ . 1 . 2]" 1
471 1 43 VAL HA 1 47 PHE H . . 4.720 3.914 3.825 4.176 . 0 0 "[ . 1 . 2]" 1
472 1 43 VAL HA 1 47 PHE QB . . 5.060 3.742 3.646 4.025 . 0 0 "[ . 1 . 2]" 1
473 1 43 VAL HA 1 47 PHE QD . . 3.930 2.761 2.425 2.919 . 0 0 "[ . 1 . 2]" 1
474 1 43 VAL HB 1 44 THR H . . 3.490 2.766 2.484 2.850 . 0 0 "[ . 1 . 2]" 1
475 1 43 VAL HB 1 44 THR MG . . 3.600 3.189 3.113 3.381 . 0 0 "[ . 1 . 2]" 1
476 1 43 VAL MG1 1 44 THR H . . 3.660 3.268 3.019 3.331 . 0 0 "[ . 1 . 2]" 1
477 1 43 VAL MG1 1 44 THR HA . . 3.660 3.292 3.177 3.336 . 0 0 "[ . 1 . 2]" 1
478 1 43 VAL MG1 1 44 THR MG . . 2.690 2.754 2.702 2.774 0.084 10 0 "[ . 1 . 2]" 1
479 1 43 VAL MG1 1 47 PHE H . . 4.330 3.878 3.748 3.936 . 0 0 "[ . 1 . 2]" 1
480 1 43 VAL MG1 1 47 PHE HA . . 5.290 4.788 4.718 4.823 . 0 0 "[ . 1 . 2]" 1
481 1 43 VAL MG1 1 47 PHE QB . . 3.960 2.227 2.174 2.292 . 0 0 "[ . 1 . 2]" 1
482 1 43 VAL MG1 1 47 PHE QD . . 3.130 2.330 1.973 2.500 . 0 0 "[ . 1 . 2]" 1
483 1 43 VAL MG1 1 47 PHE QE . . 4.150 4.328 3.970 4.495 0.345 3 0 "[ . 1 . 2]" 1
484 1 43 VAL MG1 1 48 PRO HA . . 5.040 4.664 4.491 4.801 . 0 0 "[ . 1 . 2]" 1
485 1 43 VAL MG1 1 50 ALA MB . . 2.550 2.457 2.104 3.208 0.658 13 1 "[ . 1 + . 2]" 1
486 1 43 VAL MG2 1 47 PHE QD . . 4.200 3.386 3.268 3.410 . 0 0 "[ . 1 . 2]" 1
487 1 43 VAL MG2 1 73 LEU HB2 . . 3.810 3.014 2.841 3.220 . 0 0 "[ . 1 . 2]" 1
488 1 44 THR H 1 44 THR HB . . 4.180 3.645 3.623 3.655 . 0 0 "[ . 1 . 2]" 1
489 1 44 THR H 1 44 THR MG . . 3.250 2.337 2.183 2.546 . 0 0 "[ . 1 . 2]" 1
490 1 44 THR H 1 45 ALA H . . 3.940 2.441 2.396 2.590 . 0 0 "[ . 1 . 2]" 1
491 1 44 THR H 1 50 ALA MB . . 5.340 5.572 5.147 6.137 0.797 5 5 "[ *+ 1- * . *2]" 1
492 1 44 THR HA 1 44 THR MG . . 3.380 2.398 2.341 2.426 . 0 0 "[ . 1 . 2]" 1
493 1 44 THR HA 1 47 PHE QB . . 4.260 3.885 3.696 4.011 . 0 0 "[ . 1 . 2]" 1
494 1 44 THR HA 1 47 PHE QD . . 5.500 5.240 4.828 5.370 . 0 0 "[ . 1 . 2]" 1
495 1 44 THR HA 1 49 GLY H . . 4.370 3.665 3.494 3.849 . 0 0 "[ . 1 . 2]" 1
496 1 44 THR HA 1 50 ALA MB . . 4.170 4.286 3.793 4.805 0.635 4 1 "[ +. 1 . 2]" 1
497 1 44 THR HB 1 49 GLY H . . 4.010 3.797 3.659 3.999 . 0 0 "[ . 1 . 2]" 1
498 1 44 THR MG 1 45 ALA H . . 4.640 4.018 3.957 4.157 . 0 0 "[ . 1 . 2]" 1
499 1 44 THR MG 1 48 PRO HA . . 4.800 3.309 2.740 3.496 . 0 0 "[ . 1 . 2]" 1
500 1 44 THR MG 1 49 GLY H . . 5.020 3.121 2.512 3.301 . 0 0 "[ . 1 . 2]" 1
501 1 45 ALA H 1 45 ALA MB . . 2.930 2.202 1.953 2.744 . 0 0 "[ . 1 . 2]" 1
502 1 45 ALA H 1 46 GLN H . . 3.970 2.685 2.610 2.768 . 0 0 "[ . 1 . 2]" 1
503 1 45 ALA MB 1 46 GLN H . . 3.600 2.655 2.190 3.142 . 0 0 "[ . 1 . 2]" 1
504 1 45 ALA MB 1 46 GLN QG . . 4.400 3.043 2.109 4.546 0.146 3 0 "[ . 1 . 2]" 1
505 1 46 GLN H 1 46 GLN HB2 . . 3.380 2.561 2.380 2.719 . 0 0 "[ . 1 . 2]" 1
506 1 46 GLN H 1 46 GLN QG . . 4.590 2.961 2.461 3.913 . 0 0 "[ . 1 . 2]" 1
507 1 46 GLN H 1 47 PHE H . . 3.620 1.935 1.895 1.994 . 0 0 "[ . 1 . 2]" 1
508 1 46 GLN HA 1 46 GLN QG . . 3.910 2.916 2.578 3.141 . 0 0 "[ . 1 . 2]" 1
509 1 46 GLN HB2 1 47 PHE H . . 4.380 3.134 2.998 3.457 . 0 0 "[ . 1 . 2]" 1
510 1 46 GLN HB2 1 47 PHE QD . . 4.270 3.623 3.413 3.983 . 0 0 "[ . 1 . 2]" 1
511 1 46 GLN HB2 1 47 PHE QE . . 4.730 3.400 3.214 3.749 . 0 0 "[ . 1 . 2]" 1
512 1 46 GLN HB2 1 47 PHE HZ . . 4.790 3.790 3.647 4.091 . 0 0 "[ . 1 . 2]" 1
513 1 46 GLN HB3 1 47 PHE QD . . 4.800 3.565 3.211 3.804 . 0 0 "[ . 1 . 2]" 1
514 1 46 GLN HB3 1 47 PHE QE . . 5.240 3.128 2.826 3.408 . 0 0 "[ . 1 . 2]" 1
515 1 46 GLN QG 1 47 PHE QE . . 4.360 4.245 4.086 4.434 0.074 9 0 "[ . 1 . 2]" 1
516 1 47 PHE H 1 47 PHE QB . . 3.900 2.841 2.776 2.922 . 0 0 "[ . 1 . 2]" 1
517 1 47 PHE H 1 47 PHE QD . . 3.970 3.395 3.344 3.472 . 0 0 "[ . 1 . 2]" 1
518 1 47 PHE HA 1 47 PHE QD . . 3.390 2.434 2.356 2.641 . 0 0 "[ . 1 . 2]" 1
519 1 47 PHE HA 1 47 PHE QE . . 5.010 4.676 4.635 4.759 . 0 0 "[ . 1 . 2]" 1
520 1 47 PHE HA 1 48 PRO HD2 . . 3.640 2.048 2.033 2.058 . 0 0 "[ . 1 . 2]" 1
521 1 47 PHE HA 1 48 PRO HD3 . . 3.630 2.867 2.844 2.883 . 0 0 "[ . 1 . 2]" 1
522 1 47 PHE HA 1 48 PRO HG2 . . 4.210 4.190 4.181 4.196 . 0 0 "[ . 1 . 2]" 1
523 1 47 PHE HA 1 48 PRO HG3 . . 5.210 4.623 4.606 4.635 . 0 0 "[ . 1 . 2]" 1
524 1 47 PHE QB 1 48 PRO HD2 . . 4.190 3.928 3.902 3.942 . 0 0 "[ . 1 . 2]" 1
525 1 47 PHE QB 1 50 ALA H . . 4.160 3.775 3.608 3.848 . 0 0 "[ . 1 . 2]" 1
526 1 47 PHE QB 1 50 ALA HA . . 4.310 4.512 4.450 4.545 0.235 17 0 "[ . 1 . 2]" 1
527 1 47 PHE QB 1 50 ALA MB . . 3.370 2.146 1.929 2.385 . 0 0 "[ . 1 . 2]" 1
528 1 47 PHE QB 1 85 TYR QE . . 4.620 3.415 3.215 3.639 . 0 0 "[ . 1 . 2]" 1
529 1 47 PHE QB 1 87 VAL QG . . 3.790 3.348 3.257 3.527 . 0 0 "[ . 1 . 2]" 1
530 1 47 PHE QD 1 50 ALA MB . . 4.160 3.639 3.493 3.812 . 0 0 "[ . 1 . 2]" 1
531 1 47 PHE QD 1 87 VAL QG . . 4.520 4.381 4.263 4.541 0.021 1 0 "[ . 1 . 2]" 1
532 1 48 PRO HA 1 50 ALA H . . 5.200 3.414 3.347 3.518 . 0 0 "[ . 1 . 2]" 1
533 1 48 PRO HA 1 50 ALA MB . . 5.030 4.510 4.097 4.961 . 0 0 "[ . 1 . 2]" 1
534 1 48 PRO HB2 1 49 GLY H . . 4.200 3.514 3.396 3.624 . 0 0 "[ . 1 . 2]" 1
535 1 50 ALA H 1 50 ALA MB . . 3.090 2.267 1.995 2.636 . 0 0 "[ . 1 . 2]" 1
536 1 50 ALA H 1 89 TYR QD . . 5.430 5.024 4.178 5.156 . 0 0 "[ . 1 . 2]" 1
537 1 50 ALA HA 1 51 CYS H . . 3.490 2.147 2.134 2.198 . 0 0 "[ . 1 . 2]" 1
538 1 50 ALA HA 1 51 CYS HB2 . . 4.430 4.358 4.249 4.430 . 0 0 "[ . 1 . 2]" 1
539 1 50 ALA HA 1 53 LEU QD . . 5.440 3.541 3.426 3.739 . 0 0 "[ . 1 . 2]" 1
540 1 50 ALA HA 1 89 TYR QD . . 4.670 3.116 2.003 3.605 . 0 0 "[ . 1 . 2]" 1
541 1 50 ALA MB 1 51 CYS H . . 3.690 3.321 3.065 3.651 . 0 0 "[ . 1 . 2]" 1
542 1 50 ALA MB 1 52 GLY H . . 4.390 4.285 3.738 4.940 0.550 18 1 "[ . 1 . + 2]" 1
543 1 50 ALA MB 1 53 LEU QD . . 3.730 1.953 1.682 2.587 . 0 0 "[ . 1 . 2]" 1
544 1 50 ALA MB 1 85 TYR QE . . 3.980 3.005 2.402 3.473 . 0 0 "[ . 1 . 2]" 1
545 1 50 ALA MB 1 87 VAL QG . . 3.320 2.579 2.132 3.201 . 0 0 "[ . 1 . 2]" 1
546 1 51 CYS H 1 51 CYS HB2 . . 4.190 2.431 2.258 2.576 . 0 0 "[ . 1 . 2]" 1
547 1 51 CYS H 1 51 CYS HB3 . . 4.130 3.008 2.730 3.532 . 0 0 "[ . 1 . 2]" 1
548 1 51 CYS H 1 52 GLY H . . 4.090 2.374 2.315 2.503 . 0 0 "[ . 1 . 2]" 1
549 1 51 CYS H 1 53 LEU QD . . 4.490 3.666 3.462 3.929 . 0 0 "[ . 1 . 2]" 1
550 1 51 CYS H 1 88 ASN HA . . 5.500 5.512 5.461 5.555 0.055 1 0 "[ . 1 . 2]" 1
551 1 51 CYS H 1 89 TYR HA . . 4.660 3.603 2.904 4.541 . 0 0 "[ . 1 . 2]" 1
552 1 52 GLY H 1 53 LEU QD . . 4.420 3.204 3.068 3.361 . 0 0 "[ . 1 . 2]" 1
553 1 52 GLY H 1 88 ASN H . . 4.710 3.077 2.652 3.326 . 0 0 "[ . 1 . 2]" 1
554 1 52 GLY H 1 88 ASN HA . . 4.860 4.726 4.612 4.829 . 0 0 "[ . 1 . 2]" 1
555 1 52 GLY H 1 88 ASN HB2 . . 5.040 4.164 2.827 5.127 0.087 1 0 "[ . 1 . 2]" 1
556 1 52 GLY H 1 88 ASN QB . . 4.400 2.988 2.393 4.548 0.148 9 0 "[ . 1 . 2]" 1
557 1 52 GLY H 1 88 ASN HB3 . . 5.040 3.285 2.419 5.106 0.066 9 0 "[ . 1 . 2]" 1
558 1 53 LEU H 1 53 LEU HB2 . . 3.660 2.712 2.568 2.782 . 0 0 "[ . 1 . 2]" 1
559 1 53 LEU H 1 53 LEU HG . . 4.970 3.929 2.837 4.255 . 0 0 "[ . 1 . 2]" 1
560 1 53 LEU H 1 54 ARG H . . 5.260 4.442 4.391 4.473 . 0 0 "[ . 1 . 2]" 1
561 1 53 LEU H 1 66 VAL HB . . 4.230 3.135 2.872 3.339 . 0 0 "[ . 1 . 2]" 1
562 1 53 LEU H 1 88 ASN QB . . 5.010 4.595 4.128 5.912 0.902 1 2 "[+ . -1 . 2]" 1
563 1 53 LEU HA 1 53 LEU MD1 . . 4.350 2.386 1.951 3.784 . 0 0 "[ . 1 . 2]" 1
564 1 53 LEU HA 1 53 LEU QD . . 2.900 2.015 1.940 2.786 . 0 0 "[ . 1 . 2]" 1
565 1 53 LEU HA 1 53 LEU MD2 . . 4.350 3.171 1.976 3.775 . 0 0 "[ . 1 . 2]" 1
566 1 53 LEU HA 1 53 LEU HG . . 4.180 3.611 2.488 3.765 . 0 0 "[ . 1 . 2]" 1
567 1 53 LEU HA 1 54 ARG H . . 3.390 2.192 2.153 2.243 . 0 0 "[ . 1 . 2]" 1
568 1 53 LEU HA 1 87 VAL HA . . 3.990 3.274 3.111 3.509 . 0 0 "[ . 1 . 2]" 1
569 1 53 LEU HA 1 87 VAL QG . . 4.830 4.386 4.013 4.632 . 0 0 "[ . 1 . 2]" 1
570 1 53 LEU HA 1 88 ASN H . . 4.420 3.957 3.790 4.160 . 0 0 "[ . 1 . 2]" 1
571 1 53 LEU HB2 1 66 VAL HB . . 3.780 2.298 2.213 2.753 . 0 0 "[ . 1 . 2]" 1
572 1 53 LEU HB2 1 66 VAL QG . . 4.700 2.366 2.140 2.548 . 0 0 "[ . 1 . 2]" 1
573 1 53 LEU HB2 1 85 TYR HB2 . . 4.900 3.739 3.474 3.952 . 0 0 "[ . 1 . 2]" 1
574 1 53 LEU HB3 1 54 ARG H . . 4.390 3.056 2.860 3.256 . 0 0 "[ . 1 . 2]" 1
575 1 53 LEU HB3 1 66 VAL HB . . 3.790 3.817 3.785 3.858 0.068 1 0 "[ . 1 . 2]" 1
576 1 53 LEU HB3 1 66 VAL QG . . 3.590 3.028 2.447 3.366 . 0 0 "[ . 1 . 2]" 1
577 1 53 LEU HB3 1 85 TYR HB2 . . 3.800 2.327 2.110 2.514 . 0 0 "[ . 1 . 2]" 1
578 1 53 LEU HB3 1 85 TYR HB3 . . 4.390 3.790 3.679 3.896 . 0 0 "[ . 1 . 2]" 1
579 1 53 LEU HB3 1 85 TYR QD . . 4.740 2.096 1.958 2.847 . 0 0 "[ . 1 . 2]" 1
580 1 53 LEU QD 1 54 ARG H . . 3.910 3.613 3.516 4.141 0.231 17 0 "[ . 1 . 2]" 1
581 1 53 LEU QD 1 66 VAL HB . . 4.300 3.269 2.866 4.054 . 0 0 "[ . 1 . 2]" 1
582 1 53 LEU QD 1 66 VAL QG . . 3.320 2.807 2.557 3.135 . 0 0 "[ . 1 . 2]" 1
583 1 53 LEU QD 1 73 LEU HB3 . . 3.850 3.673 3.443 4.135 0.285 18 0 "[ . 1 . 2]" 1
584 1 53 LEU QD 1 73 LEU QD . . 4.300 2.126 1.813 3.081 . 0 0 "[ . 1 . 2]" 1
585 1 53 LEU QD 1 73 LEU HG . . 3.760 2.118 1.877 2.792 . 0 0 "[ . 1 . 2]" 1
586 1 53 LEU QD 1 80 TRP HH2 . . 5.440 4.829 4.783 4.869 . 0 0 "[ . 1 . 2]" 1
587 1 53 LEU QD 1 80 TRP HZ3 . . 5.440 4.450 4.117 4.754 . 0 0 "[ . 1 . 2]" 1
588 1 53 LEU QD 1 85 TYR QE . . 3.570 1.999 1.841 2.930 . 0 0 "[ . 1 . 2]" 1
589 1 53 LEU QD 1 87 VAL HA . . 2.900 2.371 2.107 3.100 0.200 17 0 "[ . 1 . 2]" 1
590 1 53 LEU QD 1 87 VAL QG . . 3.140 2.818 2.673 3.139 . 0 0 "[ . 1 . 2]" 1
591 1 53 LEU QD 1 88 ASN H . . 4.240 3.034 2.709 3.430 . 0 0 "[ . 1 . 2]" 1
592 1 53 LEU MD1 1 54 ARG H . . 5.240 3.940 3.609 4.728 . 0 0 "[ . 1 . 2]" 1
593 1 53 LEU MD2 1 54 ARG H . . 5.240 4.693 3.634 5.012 . 0 0 "[ . 1 . 2]" 1
594 1 53 LEU HG 1 85 TYR HB2 . . 5.500 4.273 3.536 4.973 . 0 0 "[ . 1 . 2]" 1
595 1 53 LEU HG 1 85 TYR QD . . 5.210 3.336 1.976 3.969 . 0 0 "[ . 1 . 2]" 1
596 1 53 LEU HG 1 85 TYR QE . . 4.290 3.697 2.762 4.467 0.177 15 0 "[ . 1 . 2]" 1
597 1 54 ARG H 1 54 ARG QB . . 3.880 2.354 2.259 2.494 . 0 0 "[ . 1 . 2]" 1
598 1 54 ARG H 1 66 VAL QG . . 4.790 4.121 3.770 4.442 . 0 0 "[ . 1 . 2]" 1
599 1 54 ARG H 1 85 TYR HB2 . . 5.060 3.464 3.254 3.654 . 0 0 "[ . 1 . 2]" 1
600 1 54 ARG H 1 85 TYR QD . . 4.800 3.156 2.734 3.601 . 0 0 "[ . 1 . 2]" 1
601 1 54 ARG HA 1 54 ARG QD . . 4.710 3.952 3.714 4.061 . 0 0 "[ . 1 . 2]" 1
602 1 54 ARG HA 1 55 TYR HA . . 4.630 4.390 4.378 4.406 . 0 0 "[ . 1 . 2]" 1
603 1 54 ARG HA 1 55 TYR QD . . 4.800 4.670 4.547 4.765 . 0 0 "[ . 1 . 2]" 1
604 1 54 ARG HA 1 65 GLY QA . . 4.340 2.026 1.927 2.557 . 0 0 "[ . 1 . 2]" 1
605 1 54 ARG HA 1 66 VAL H . . 4.440 2.292 2.177 2.442 . 0 0 "[ . 1 . 2]" 1
606 1 54 ARG QB 1 54 ARG QD . . 3.390 2.152 2.060 2.423 . 0 0 "[ . 1 . 2]" 1
607 1 54 ARG QB 1 54 ARG HE . . 4.420 3.030 1.927 3.844 . 0 0 "[ . 1 . 2]" 1
608 1 54 ARG QB 1 55 TYR H . . 4.030 2.602 2.208 2.931 . 0 0 "[ . 1 . 2]" 1
609 1 54 ARG QB 1 55 TYR HA . . 5.350 4.194 4.081 4.300 . 0 0 "[ . 1 . 2]" 1
610 1 54 ARG QB 1 65 GLY QA . . 4.470 3.450 2.959 3.717 . 0 0 "[ . 1 . 2]" 1
611 1 54 ARG QB 1 85 TYR HB2 . . 5.430 4.948 4.647 5.200 . 0 0 "[ . 1 . 2]" 1
612 1 54 ARG QB 1 86 VAL HB . . 2.550 1.970 1.910 2.092 . 0 0 "[ . 1 . 2]" 1
613 1 54 ARG QB 1 86 VAL MG1 . . 3.160 3.250 3.124 3.440 0.280 6 0 "[ . 1 . 2]" 1
614 1 54 ARG QB 1 86 VAL MG2 . . 3.690 2.592 2.054 2.928 . 0 0 "[ . 1 . 2]" 1
615 1 54 ARG QD 1 65 GLY QA . . 4.170 4.001 3.715 4.313 0.143 18 0 "[ . 1 . 2]" 1
616 1 54 ARG QD 1 86 VAL HB . . 4.030 3.205 2.448 3.696 . 0 0 "[ . 1 . 2]" 1
617 1 54 ARG QD 1 86 VAL MG1 . . 3.250 3.474 2.744 3.749 0.499 14 0 "[ . 1 . 2]" 1
618 1 54 ARG QD 1 86 VAL MG2 . . 4.170 3.623 2.856 4.262 0.092 7 0 "[ . 1 . 2]" 1
619 1 54 ARG HE 1 54 ARG QG . . 3.540 2.401 2.088 3.054 . 0 0 "[ . 1 . 2]" 1
620 1 54 ARG QG 1 55 TYR H . . 3.720 2.573 1.934 3.854 0.134 14 0 "[ . 1 . 2]" 1
621 1 54 ARG QG 1 65 GLY QA . . 3.430 2.381 2.065 3.414 . 0 0 "[ . 1 . 2]" 1
622 1 54 ARG HG2 1 65 GLY QA . . 4.060 2.754 2.267 3.487 . 0 0 "[ . 1 . 2]" 1
623 1 54 ARG HG3 1 65 GLY QA . . 4.060 2.871 2.121 4.859 0.799 6 1 "[ .+ 1 . 2]" 1
624 1 55 TYR H 1 55 TYR QD . . 3.890 3.716 3.669 3.750 . 0 0 "[ . 1 . 2]" 1
625 1 55 TYR H 1 56 ARG HA . . 5.100 5.078 5.040 5.125 0.025 8 0 "[ . 1 . 2]" 1
626 1 55 TYR H 1 86 VAL HB . . 4.970 5.151 4.969 5.330 0.360 6 0 "[ . 1 . 2]" 1
627 1 55 TYR HA 1 55 TYR QD . . 4.100 2.084 1.955 2.216 . 0 0 "[ . 1 . 2]" 1
628 1 55 TYR HA 1 55 TYR QE . . 4.370 4.202 4.161 4.246 . 0 0 "[ . 1 . 2]" 1
629 1 55 TYR HA 1 56 ARG QB . . 4.470 4.045 3.986 4.055 . 0 0 "[ . 1 . 2]" 1
630 1 55 TYR HA 1 66 VAL H . . 4.820 4.748 4.572 4.950 0.130 17 0 "[ . 1 . 2]" 1
631 1 55 TYR HA 1 66 VAL QG . . 5.240 3.901 3.725 4.023 . 0 0 "[ . 1 . 2]" 1
632 1 55 TYR HA 1 83 LEU HG . . 4.630 4.223 3.391 5.617 0.987 7 5 "[* * + 1 *-. 2]" 1
633 1 55 TYR HB2 1 56 ARG H . . 4.680 4.372 4.275 4.387 . 0 0 "[ . 1 . 2]" 1
634 1 55 TYR HB3 1 56 ARG H . . 3.880 3.378 3.189 3.405 . 0 0 "[ . 1 . 2]" 1
635 1 55 TYR HB3 1 83 LEU QD . . 4.200 3.141 2.152 4.077 . 0 0 "[ . 1 . 2]" 1
636 1 55 TYR HB3 1 83 LEU HG . . 5.500 4.388 3.526 5.633 0.133 7 0 "[ . 1 . 2]" 1
637 1 55 TYR QD 1 56 ARG HA . . 5.500 5.561 5.509 5.649 0.149 17 0 "[ . 1 . 2]" 1
638 1 55 TYR QD 1 64 ARG QB . . 4.820 2.398 1.986 3.706 . 0 0 "[ . 1 . 2]" 1
639 1 55 TYR QD 1 64 ARG QD . . 3.450 2.111 1.910 2.772 . 0 0 "[ . 1 . 2]" 1
640 1 55 TYR QD 1 66 VAL QG . . 3.240 3.202 3.064 3.397 0.157 9 0 "[ . 1 . 2]" 1
641 1 55 TYR QD 1 76 PRO QB . . 4.520 4.230 3.827 4.343 . 0 0 "[ . 1 . 2]" 1
642 1 55 TYR QD 1 83 LEU H . . 5.500 5.215 4.992 5.517 0.017 8 0 "[ . 1 . 2]" 1
643 1 55 TYR QD 1 83 LEU QD . . 3.100 1.877 1.727 2.116 . 0 0 "[ . 1 . 2]" 1
644 1 55 TYR QD 1 83 LEU HG . . 3.590 3.114 2.418 3.868 0.278 7 0 "[ . 1 . 2]" 1
645 1 55 TYR QE 1 64 ARG HD2 . . 4.380 3.360 2.831 4.045 . 0 0 "[ . 1 . 2]" 1
646 1 55 TYR QE 1 64 ARG QD . . 3.750 2.803 2.666 3.078 . 0 0 "[ . 1 . 2]" 1
647 1 55 TYR QE 1 64 ARG HD3 . . 4.380 3.110 2.748 4.012 . 0 0 "[ . 1 . 2]" 1
648 1 55 TYR QE 1 64 ARG QG . . 4.760 4.668 4.230 4.791 0.031 13 0 "[ . 1 . 2]" 1
649 1 55 TYR QE 1 65 GLY QA . . 5.500 4.423 4.035 4.584 . 0 0 "[ . 1 . 2]" 1
650 1 55 TYR QE 1 66 VAL HA . . 3.740 2.845 2.426 3.343 . 0 0 "[ . 1 . 2]" 1
651 1 55 TYR QE 1 66 VAL HB . . 5.290 5.018 4.790 5.293 0.003 2 0 "[ . 1 . 2]" 1
652 1 55 TYR QE 1 66 VAL QG . . 3.050 2.672 2.518 2.835 . 0 0 "[ . 1 . 2]" 1
653 1 55 TYR QE 1 67 ARG H . . 5.450 4.492 3.943 5.011 . 0 0 "[ . 1 . 2]" 1
654 1 55 TYR QE 1 76 PRO HA . . 4.650 4.646 4.318 4.811 0.161 16 0 "[ . 1 . 2]" 1
655 1 55 TYR QE 1 76 PRO QB . . 4.030 3.153 2.701 3.394 . 0 0 "[ . 1 . 2]" 1
656 1 55 TYR QE 1 76 PRO HD3 . . 3.870 2.009 1.975 2.094 . 0 0 "[ . 1 . 2]" 1
657 1 55 TYR QE 1 76 PRO HG2 . . 4.510 3.991 3.609 4.377 . 0 0 "[ . 1 . 2]" 1
658 1 55 TYR QE 1 76 PRO HG3 . . 4.330 2.536 2.029 3.095 . 0 0 "[ . 1 . 2]" 1
659 1 55 TYR QE 1 80 TRP HA . . 5.200 3.292 3.123 3.698 . 0 0 "[ . 1 . 2]" 1
660 1 55 TYR QE 1 83 LEU QD . . 4.140 2.259 1.992 2.454 . 0 0 "[ . 1 . 2]" 1
661 1 55 TYR QE 1 83 LEU HG . . 5.060 4.299 3.758 4.771 . 0 0 "[ . 1 . 2]" 1
662 1 56 ARG H 1 57 ASN QB . . 4.990 4.380 3.718 4.752 . 0 0 "[ . 1 . 2]" 1
663 1 56 ARG H 1 83 LEU HB2 . . 4.880 3.505 2.967 4.023 . 0 0 "[ . 1 . 2]" 1
664 1 56 ARG H 1 83 LEU HG . . 5.500 3.587 2.400 5.399 . 0 0 "[ . 1 . 2]" 1
665 1 56 ARG H 1 84 VAL H . . 5.500 3.780 3.551 3.973 . 0 0 "[ . 1 . 2]" 1
666 1 56 ARG H 1 85 TYR HA . . 4.710 3.470 3.233 3.737 . 0 0 "[ . 1 . 2]" 1
667 1 56 ARG H 1 86 VAL H . . 5.500 4.856 4.713 5.116 . 0 0 "[ . 1 . 2]" 1
668 1 56 ARG HA 1 56 ARG HE . . 4.640 4.332 2.463 4.801 0.161 11 0 "[ . 1 . 2]" 1
669 1 56 ARG HA 1 56 ARG QG . . 3.540 2.918 2.265 3.226 . 0 0 "[ . 1 . 2]" 1
670 1 56 ARG HA 1 84 VAL H . . 5.450 5.381 5.201 5.505 0.055 8 0 "[ . 1 . 2]" 1
671 1 56 ARG QB 1 56 ARG QD . . 3.360 2.307 2.064 2.385 . 0 0 "[ . 1 . 2]" 1
672 1 56 ARG QB 1 86 VAL MG2 . . 3.470 2.568 2.367 2.750 . 0 0 "[ . 1 . 2]" 1
673 1 56 ARG QD 1 57 ASN H . . 4.830 2.938 2.124 4.046 . 0 0 "[ . 1 . 2]" 1
674 1 56 ARG QD 1 58 PRO HD3 . . 4.560 4.085 2.447 4.615 0.055 6 0 "[ . 1 . 2]" 1
675 1 56 ARG HE 1 56 ARG QG . . 3.460 2.482 2.216 2.835 . 0 0 "[ . 1 . 2]" 1
676 1 56 ARG HE 1 58 PRO HA . . 5.460 4.319 3.368 5.349 . 0 0 "[ . 1 . 2]" 1
677 1 56 ARG HE 1 58 PRO HD3 . . 4.070 3.721 2.209 4.119 0.049 6 0 "[ . 1 . 2]" 1
678 1 56 ARG QG 1 57 ASN HA . . 4.560 3.840 3.382 4.562 0.002 5 0 "[ . 1 . 2]" 1
679 1 57 ASN H 1 57 ASN QB . . 3.470 2.598 2.427 2.959 . 0 0 "[ . 1 . 2]" 1
680 1 57 ASN H 1 58 PRO HD2 . . 4.760 4.681 4.545 4.814 0.054 6 0 "[ . 1 . 2]" 1
681 1 57 ASN HA 1 58 PRO HB3 . . 5.080 4.886 4.830 4.959 . 0 0 "[ . 1 . 2]" 1
682 1 57 ASN HA 1 58 PRO HD2 . . 2.980 1.997 1.913 2.318 . 0 0 "[ . 1 . 2]" 1
683 1 57 ASN HA 1 83 LEU HB2 . . 4.430 3.323 2.726 4.362 . 0 0 "[ . 1 . 2]" 1
684 1 57 ASN QB 1 58 PRO HA . . 5.150 4.739 4.623 4.882 . 0 0 "[ . 1 . 2]" 1
685 1 57 ASN QB 1 58 PRO HD2 . . 4.080 3.576 2.859 3.778 . 0 0 "[ . 1 . 2]" 1
686 1 57 ASN QB 1 58 PRO HD3 . . 4.650 4.332 3.941 4.426 . 0 0 "[ . 1 . 2]" 1
687 1 57 ASN QB 1 60 SER HA . . 4.440 4.101 3.927 4.299 . 0 0 "[ . 1 . 2]" 1
688 1 57 ASN QB 1 60 SER QB . . 3.270 1.943 1.834 2.234 . 0 0 "[ . 1 . 2]" 1
689 1 57 ASN QB 1 83 LEU HB2 . . 4.390 3.514 2.463 4.263 . 0 0 "[ . 1 . 2]" 1
690 1 57 ASN QD 1 58 PRO HD2 . . 4.200 2.760 1.904 4.223 0.023 3 0 "[ . 1 . 2]" 1
691 1 57 ASN QD 1 60 SER H . . 3.810 3.284 2.905 3.981 0.171 5 0 "[ . 1 . 2]" 1
692 1 57 ASN QD 1 60 SER QB . . 4.970 3.533 1.918 4.247 . 0 0 "[ . 1 . 2]" 1
693 1 58 PRO HA 1 59 VAL QG . . 5.440 4.398 4.353 4.449 . 0 0 "[ . 1 . 2]" 1
694 1 58 PRO HA 1 60 SER H . . 4.400 4.301 3.902 4.410 0.010 5 0 "[ . 1 . 2]" 1
695 1 58 PRO HA 1 61 GLN H . . 5.030 3.625 3.523 3.769 . 0 0 "[ . 1 . 2]" 1
696 1 58 PRO HB2 1 59 VAL HA . . 4.740 4.134 3.948 4.197 . 0 0 "[ . 1 . 2]" 1
697 1 58 PRO HB2 1 59 VAL QG . . 4.890 3.453 3.077 3.584 . 0 0 "[ . 1 . 2]" 1
698 1 58 PRO HD2 1 59 VAL H . . 4.910 2.676 2.647 2.746 . 0 0 "[ . 1 . 2]" 1
699 1 58 PRO HD2 1 59 VAL QG . . 3.360 3.073 2.982 3.208 . 0 0 "[ . 1 . 2]" 1
700 1 58 PRO QG 1 59 VAL QG . . 3.170 2.504 2.342 2.658 . 0 0 "[ . 1 . 2]" 1
701 1 59 VAL H 1 59 VAL MG1 . . 3.300 2.501 2.310 2.672 . 0 0 "[ . 1 . 2]" 1
702 1 59 VAL H 1 59 VAL QG . . 2.870 1.891 1.821 1.998 . 0 0 "[ . 1 . 2]" 1
703 1 59 VAL H 1 59 VAL MG2 . . 3.300 1.961 1.906 2.113 . 0 0 "[ . 1 . 2]" 1
704 1 59 VAL H 1 60 SER H . . 4.370 2.370 2.294 2.670 . 0 0 "[ . 1 . 2]" 1
705 1 59 VAL HA 1 59 VAL MG1 . . 3.320 2.273 2.190 2.416 . 0 0 "[ . 1 . 2]" 1
706 1 59 VAL HA 1 59 VAL QG . . 2.670 2.227 2.154 2.349 . 0 0 "[ . 1 . 2]" 1
707 1 59 VAL HA 1 59 VAL MG2 . . 3.320 3.198 3.186 3.206 . 0 0 "[ . 1 . 2]" 1
708 1 59 VAL HA 1 60 SER HA . . 5.320 4.689 4.638 4.790 . 0 0 "[ . 1 . 2]" 1
709 1 59 VAL HA 1 61 GLN QG . . 3.930 3.634 3.262 3.741 . 0 0 "[ . 1 . 2]" 1
710 1 60 SER H 1 61 GLN H . . 4.510 2.345 2.206 2.614 . 0 0 "[ . 1 . 2]" 1
711 1 60 SER HA 1 61 GLN QG . . 5.230 3.869 3.659 4.392 . 0 0 "[ . 1 . 2]" 1
712 1 60 SER QB 1 61 GLN QG . . 4.990 4.593 4.485 4.972 . 0 0 "[ . 1 . 2]" 1
713 1 61 GLN H 1 62 CYS H . . 5.190 2.641 2.615 2.667 . 0 0 "[ . 1 . 2]" 1
714 1 61 GLN H 1 62 CYS HA . . 5.340 5.256 4.900 5.306 . 0 0 "[ . 1 . 2]" 1
715 1 61 GLN HA 1 61 GLN QG . . 4.000 2.694 2.479 3.008 . 0 0 "[ . 1 . 2]" 1
716 1 61 GLN HA 1 62 CYS HA . . 5.430 4.570 4.375 4.911 . 0 0 "[ . 1 . 2]" 1
717 1 61 GLN HA 1 62 CYS QB . . 5.320 4.952 4.432 5.141 . 0 0 "[ . 1 . 2]" 1
718 1 61 GLN QB 1 62 CYS HA . . 4.470 4.278 4.194 5.095 0.625 6 1 "[ .+ 1 . 2]" 1
719 1 62 CYS H 1 62 CYS QB . . 3.600 2.436 2.219 2.819 . 0 0 "[ . 1 . 2]" 1
720 1 62 CYS HA 1 63 MET HA . . 4.610 4.488 4.405 4.557 . 0 0 "[ . 1 . 2]" 1
721 1 62 CYS QB 1 63 MET H . . 4.470 2.493 1.946 4.039 . 0 0 "[ . 1 . 2]" 1
722 1 63 MET H 1 63 MET QG . . 4.650 3.286 2.202 4.222 . 0 0 "[ . 1 . 2]" 1
723 1 63 MET HA 1 63 MET QG . . 3.920 2.729 2.134 3.419 . 0 0 "[ . 1 . 2]" 1
724 1 64 ARG H 1 64 ARG QG . . 4.070 3.396 2.174 4.042 . 0 0 "[ . 1 . 2]" 1
725 1 64 ARG HA 1 64 ARG QD . . 4.380 3.881 3.558 4.254 . 0 0 "[ . 1 . 2]" 1
726 1 64 ARG QB 1 64 ARG QD . . 3.260 2.070 1.950 2.118 . 0 0 "[ . 1 . 2]" 1
727 1 64 ARG QB 1 64 ARG HE . . 4.600 3.792 2.840 4.215 . 0 0 "[ . 1 . 2]" 1
728 1 64 ARG QB 1 65 GLY QA . . 4.350 3.734 3.610 3.906 . 0 0 "[ . 1 . 2]" 1
729 1 64 ARG QD 1 65 GLY QA . . 4.220 3.949 3.412 4.214 . 0 0 "[ . 1 . 2]" 1
730 1 64 ARG QD 1 66 VAL HA . . 4.860 4.339 3.733 4.789 . 0 0 "[ . 1 . 2]" 1
731 1 64 ARG QD 1 76 PRO HA . . 5.340 4.475 3.738 4.879 . 0 0 "[ . 1 . 2]" 1
732 1 64 ARG QD 1 76 PRO QB . . 3.670 2.567 1.960 2.835 . 0 0 "[ . 1 . 2]" 1
733 1 64 ARG QD 1 76 PRO HG2 . . 5.010 4.362 3.969 4.657 . 0 0 "[ . 1 . 2]" 1
734 1 64 ARG QD 1 76 PRO HG3 . . 4.160 3.012 2.669 3.250 . 0 0 "[ . 1 . 2]" 1
735 1 64 ARG HD2 1 65 GLY H . . 5.330 3.810 3.162 4.585 . 0 0 "[ . 1 . 2]" 1
736 1 64 ARG HD3 1 65 GLY H . . 5.330 2.630 1.954 3.291 . 0 0 "[ . 1 . 2]" 1
737 1 64 ARG HE 1 76 PRO QB . . 5.350 2.274 1.919 2.635 . 0 0 "[ . 1 . 2]" 1
738 1 64 ARG QG 1 65 GLY H . . 4.340 2.365 1.931 3.482 . 0 0 "[ . 1 . 2]" 1
739 1 64 ARG QG 1 76 PRO QB . . 5.370 4.151 3.540 4.576 . 0 0 "[ . 1 . 2]" 1
740 1 65 GLY QA 1 66 VAL HA . . 4.260 4.016 3.961 4.055 . 0 0 "[ . 1 . 2]" 1
741 1 66 VAL H 1 66 VAL HB . . 3.430 2.603 2.490 2.692 . 0 0 "[ . 1 . 2]" 1
742 1 66 VAL H 1 66 VAL QG . . 3.220 2.075 1.921 2.309 . 0 0 "[ . 1 . 2]" 1
743 1 66 VAL HA 1 66 VAL MG1 . . 3.430 2.374 2.274 2.406 . 0 0 "[ . 1 . 2]" 1
744 1 66 VAL HA 1 66 VAL QG . . 2.910 2.134 2.088 2.155 . 0 0 "[ . 1 . 2]" 1
745 1 66 VAL HA 1 66 VAL MG2 . . 3.430 2.418 2.366 2.444 . 0 0 "[ . 1 . 2]" 1
746 1 66 VAL HA 1 67 ARG H . . 3.490 2.211 2.153 2.283 . 0 0 "[ . 1 . 2]" 1
747 1 66 VAL HA 1 76 PRO HD3 . . 4.150 3.689 3.419 3.923 . 0 0 "[ . 1 . 2]" 1
748 1 66 VAL QG 1 67 ARG H . . 3.980 2.301 2.092 2.540 . 0 0 "[ . 1 . 2]" 1
749 1 66 VAL QG 1 73 LEU HA . . 3.610 3.202 2.952 3.312 . 0 0 "[ . 1 . 2]" 1
750 1 66 VAL QG 1 73 LEU HB2 . . 4.000 3.418 3.275 3.537 . 0 0 "[ . 1 . 2]" 1
751 1 66 VAL QG 1 73 LEU QD . . 4.060 1.886 1.829 1.971 . 0 0 "[ . 1 . 2]" 1
752 1 66 VAL QG 1 74 HIS HA . . 4.780 4.466 4.371 4.591 . 0 0 "[ . 1 . 2]" 1
753 1 66 VAL QG 1 75 ALA HA . . 4.530 3.071 2.863 3.255 . 0 0 "[ . 1 . 2]" 1
754 1 66 VAL QG 1 80 TRP HH2 . . 3.220 2.403 2.270 2.576 . 0 0 "[ . 1 . 2]" 1
755 1 66 VAL QG 1 80 TRP HZ3 . . 3.250 1.812 1.750 2.007 . 0 0 "[ . 1 . 2]" 1
756 1 66 VAL QG 1 85 TYR HA . . 4.640 4.563 4.212 4.885 0.245 3 0 "[ . 1 . 2]" 1
757 1 66 VAL QG 1 85 TYR HB2 . . 3.730 3.455 3.140 3.689 . 0 0 "[ . 1 . 2]" 1
758 1 66 VAL MG1 1 73 LEU HB2 . . 5.500 3.457 3.312 3.582 . 0 0 "[ . 1 . 2]" 1
759 1 66 VAL MG2 1 73 LEU HB2 . . 5.500 5.369 5.145 5.487 . 0 0 "[ . 1 . 2]" 1
760 1 67 ARG H 1 67 ARG QB . . 3.550 2.266 2.209 2.326 . 0 0 "[ . 1 . 2]" 1
761 1 67 ARG H 1 67 ARG QG . . 4.550 3.956 3.916 3.985 . 0 0 "[ . 1 . 2]" 1
762 1 67 ARG HA 1 68 LEU H . . 3.530 2.192 2.140 2.274 . 0 0 "[ . 1 . 2]" 1
763 1 67 ARG HA 1 68 LEU HB2 . . 4.630 4.462 4.381 4.547 . 0 0 "[ . 1 . 2]" 1
764 1 67 ARG QB 1 67 ARG QD . . 3.270 2.344 2.223 2.379 . 0 0 "[ . 1 . 2]" 1
765 1 67 ARG QB 1 67 ARG HE . . 4.680 4.102 3.859 4.329 . 0 0 "[ . 1 . 2]" 1
766 1 67 ARG QB 1 74 HIS HB3 . . 3.600 2.219 1.998 2.566 . 0 0 "[ . 1 . 2]" 1
767 1 67 ARG QD 1 68 LEU H . . 4.030 2.322 1.939 3.215 . 0 0 "[ . 1 . 2]" 1
768 1 67 ARG HE 1 68 LEU HA . . 4.440 4.262 3.879 4.446 0.006 12 0 "[ . 1 . 2]" 1
769 1 67 ARG HE 1 69 VAL H . . 4.490 4.240 3.451 4.423 . 0 0 "[ . 1 . 2]" 1
770 1 67 ARG HE 1 69 VAL HA . . 3.780 3.667 2.940 3.799 0.019 20 0 "[ . 1 . 2]" 1
771 1 67 ARG HE 1 69 VAL HB . . 3.700 3.015 2.479 3.810 0.110 7 0 "[ . 1 . 2]" 1
772 1 67 ARG HE 1 69 VAL QG . . 4.510 3.484 1.823 4.086 . 0 0 "[ . 1 . 2]" 1
773 1 67 ARG QG 1 69 VAL HB . . 3.990 3.263 3.003 3.714 . 0 0 "[ . 1 . 2]" 1
774 1 67 ARG QG 1 69 VAL QG . . 3.860 2.904 1.972 3.193 . 0 0 "[ . 1 . 2]" 1
775 1 67 ARG QG 1 74 HIS H . . 4.450 3.415 3.085 3.626 . 0 0 "[ . 1 . 2]" 1
776 1 67 ARG QG 1 74 HIS HA . . 5.190 5.234 4.841 5.485 0.295 18 0 "[ . 1 . 2]" 1
777 1 67 ARG QG 1 74 HIS HB3 . . 4.380 2.729 2.299 3.191 . 0 0 "[ . 1 . 2]" 1
778 1 68 LEU H 1 68 LEU HB3 . . 4.040 2.556 2.453 2.647 . 0 0 "[ . 1 . 2]" 1
779 1 68 LEU HA 1 68 LEU QD . . 2.910 1.948 1.922 2.023 . 0 0 "[ . 1 . 2]" 1
780 1 68 LEU HA 1 68 LEU HG . . 3.780 3.686 3.682 3.694 . 0 0 "[ . 1 . 2]" 1
781 1 68 LEU HA 1 69 VAL H . . 3.000 2.142 2.138 2.159 . 0 0 "[ . 1 . 2]" 1
782 1 68 LEU HA 1 69 VAL HA . . 4.530 4.397 4.389 4.409 . 0 0 "[ . 1 . 2]" 1
783 1 68 LEU HA 1 69 VAL QG . . 4.410 3.617 3.491 4.172 . 0 0 "[ . 1 . 2]" 1
784 1 68 LEU HA 1 72 ILE H . . 5.500 5.178 4.995 5.366 . 0 0 "[ . 1 . 2]" 1
785 1 68 LEU HA 1 73 LEU QD . . 4.220 2.053 1.953 2.268 . 0 0 "[ . 1 . 2]" 1
786 1 68 LEU HB2 1 68 LEU HG . . 2.910 2.305 2.292 2.326 . 0 0 "[ . 1 . 2]" 1
787 1 68 LEU HB2 1 73 LEU HG . . 4.750 4.892 4.584 5.486 0.736 7 2 "[ . + 1 . - 2]" 1
788 1 68 LEU HB3 1 68 LEU QD . . 2.800 2.037 2.009 2.072 . 0 0 "[ . 1 . 2]" 1
789 1 68 LEU HB3 1 73 LEU QD . . 4.180 3.486 3.256 3.853 . 0 0 "[ . 1 . 2]" 1
790 1 68 LEU QD 1 69 VAL H . . 3.340 2.164 1.940 2.416 . 0 0 "[ . 1 . 2]" 1
791 1 68 LEU QD 1 69 VAL HA . . 4.080 2.801 2.583 3.099 . 0 0 "[ . 1 . 2]" 1
792 1 68 LEU QD 1 70 GLU HA . . 4.560 4.062 3.515 4.227 . 0 0 "[ . 1 . 2]" 1
793 1 68 LEU QD 1 71 GLY H . . 3.300 2.054 1.842 2.226 . 0 0 "[ . 1 . 2]" 1
794 1 68 LEU QD 1 72 ILE H . . 3.720 3.197 3.016 3.391 . 0 0 "[ . 1 . 2]" 1
795 1 68 LEU QD 1 73 LEU H . . 5.440 3.625 3.421 3.779 . 0 0 "[ . 1 . 2]" 1
796 1 68 LEU QD 1 73 LEU HB2 . . 4.400 4.366 4.304 4.450 0.050 17 0 "[ . 1 . 2]" 1
797 1 68 LEU QD 1 73 LEU QD . . 4.720 1.707 1.686 1.743 . 0 0 "[ . 1 . 2]" 1
798 1 68 LEU QD 1 73 LEU HG . . 3.790 3.980 3.787 4.070 0.280 8 0 "[ . 1 . 2]" 1
799 1 68 LEU MD1 1 69 VAL HA . . 5.020 2.915 2.651 3.192 . 0 0 "[ . 1 . 2]" 1
800 1 68 LEU MD2 1 69 VAL HA . . 5.020 3.647 3.459 4.198 . 0 0 "[ . 1 . 2]" 1
801 1 68 LEU HG 1 73 LEU QD . . 3.740 3.039 2.847 3.332 . 0 0 "[ . 1 . 2]" 1
802 1 68 LEU HG 1 73 LEU HG . . 5.180 5.713 5.449 6.168 0.988 7 9 "[ *. +**- *. * **]" 1
803 1 69 VAL H 1 69 VAL HB . . 3.750 3.255 2.482 3.416 . 0 0 "[ . 1 . 2]" 1
804 1 69 VAL H 1 69 VAL MG1 . . 4.020 2.294 2.047 3.717 . 0 0 "[ . 1 . 2]" 1
805 1 69 VAL H 1 69 VAL MG2 . . 4.020 3.835 3.038 3.953 . 0 0 "[ . 1 . 2]" 1
806 1 69 VAL H 1 72 ILE H . . 3.950 3.624 3.347 3.802 . 0 0 "[ . 1 . 2]" 1
807 1 69 VAL H 1 72 ILE HA . . 4.920 4.865 4.718 4.927 0.007 5 0 "[ . 1 . 2]" 1
808 1 69 VAL H 1 72 ILE HB . . 4.610 4.111 3.659 4.398 . 0 0 "[ . 1 . 2]" 1
809 1 69 VAL HA 1 69 VAL MG1 . . 3.330 3.131 2.496 3.204 . 0 0 "[ . 1 . 2]" 1
810 1 69 VAL HA 1 69 VAL QG . . 2.890 2.238 1.993 2.280 . 0 0 "[ . 1 . 2]" 1
811 1 69 VAL HA 1 69 VAL MG2 . . 3.330 2.295 2.077 2.334 . 0 0 "[ . 1 . 2]" 1
812 1 69 VAL HA 1 70 GLU QG . . 4.200 3.856 3.363 4.160 . 0 0 "[ . 1 . 2]" 1
813 1 69 VAL HA 1 72 ILE H . . 5.140 4.925 4.741 4.999 . 0 0 "[ . 1 . 2]" 1
814 1 69 VAL QG 1 70 GLU H . . 3.750 2.606 2.401 3.004 . 0 0 "[ . 1 . 2]" 1
815 1 69 VAL QG 1 70 GLU QG . . 2.800 1.911 1.818 2.045 . 0 0 "[ . 1 . 2]" 1
816 1 69 VAL QG 1 72 ILE HB . . 2.920 2.870 2.573 3.027 0.107 17 0 "[ . 1 . 2]" 1
817 1 69 VAL QG 1 72 ILE MG . . 4.130 3.543 2.900 3.928 . 0 0 "[ . 1 . 2]" 1
818 1 69 VAL QG 1 73 LEU HA . . 4.870 4.077 3.544 4.965 0.095 7 0 "[ . 1 . 2]" 1
819 1 69 VAL QG 1 74 HIS HB2 . . 4.290 2.929 2.362 3.556 . 0 0 "[ . 1 . 2]" 1
820 1 69 VAL QG 1 74 HIS HB3 . . 3.980 3.450 3.206 3.838 . 0 0 "[ . 1 . 2]" 1
821 1 69 VAL MG1 1 70 GLU H . . 4.310 3.991 3.048 4.121 . 0 0 "[ . 1 . 2]" 1
822 1 69 VAL MG1 1 70 GLU QG . . 3.670 3.215 1.821 3.640 . 0 0 "[ . 1 . 2]" 1
823 1 69 VAL MG2 1 70 GLU H . . 4.310 2.727 2.419 3.969 . 0 0 "[ . 1 . 2]" 1
824 1 69 VAL MG2 1 70 GLU QG . . 3.670 2.139 1.869 3.932 0.262 7 0 "[ . 1 . 2]" 1
825 1 70 GLU H 1 70 GLU QG . . 4.270 2.866 2.395 3.456 . 0 0 "[ . 1 . 2]" 1
826 1 70 GLU H 1 72 ILE H . . 4.670 4.436 4.281 4.501 . 0 0 "[ . 1 . 2]" 1
827 1 70 GLU HA 1 70 GLU QG . . 3.330 2.857 2.326 3.337 0.007 18 0 "[ . 1 . 2]" 1
828 1 70 GLU HA 1 71 GLY H . . 3.360 2.986 2.804 3.020 . 0 0 "[ . 1 . 2]" 1
829 1 70 GLU QB 1 72 ILE H . . 4.770 3.147 3.006 3.963 . 0 0 "[ . 1 . 2]" 1
830 1 70 GLU QB 1 72 ILE MD . . 3.170 2.220 1.919 3.445 0.275 20 0 "[ . 1 . 2]" 1
831 1 72 ILE H 1 72 ILE HB . . 3.400 2.535 2.354 2.614 . 0 0 "[ . 1 . 2]" 1
832 1 72 ILE H 1 72 ILE MD . . 4.050 2.364 1.923 3.021 . 0 0 "[ . 1 . 2]" 1
833 1 72 ILE H 1 72 ILE HG12 . . 4.000 3.922 3.850 4.107 0.107 18 0 "[ . 1 . 2]" 1
834 1 72 ILE H 1 72 ILE HG13 . . 4.110 2.751 2.478 3.432 . 0 0 "[ . 1 . 2]" 1
835 1 72 ILE H 1 72 ILE MG . . 4.270 3.783 3.716 3.817 . 0 0 "[ . 1 . 2]" 1
836 1 72 ILE H 1 73 LEU HA . . 5.500 5.254 5.135 5.282 . 0 0 "[ . 1 . 2]" 1
837 1 72 ILE HA 1 72 ILE HG13 . . 3.580 2.431 2.203 2.537 . 0 0 "[ . 1 . 2]" 1
838 1 72 ILE HA 1 72 ILE MG . . 3.470 2.317 2.252 2.490 . 0 0 "[ . 1 . 2]" 1
839 1 72 ILE HA 1 73 LEU QD . . 4.100 3.225 3.113 3.281 . 0 0 "[ . 1 . 2]" 1
840 1 72 ILE HB 1 72 ILE MD . . 2.890 2.087 2.004 2.292 . 0 0 "[ . 1 . 2]" 1
841 1 72 ILE HB 1 73 LEU H . . 4.630 4.300 4.189 4.432 . 0 0 "[ . 1 . 2]" 1
842 1 72 ILE HG12 1 72 ILE MG . . 3.490 1.995 1.959 2.139 . 0 0 "[ . 1 . 2]" 1
843 1 72 ILE MG 1 73 LEU H . . 3.480 2.740 2.467 2.969 . 0 0 "[ . 1 . 2]" 1
844 1 72 ILE MG 1 73 LEU HA . . 4.620 4.168 3.990 4.258 . 0 0 "[ . 1 . 2]" 1
845 1 72 ILE MG 1 74 HIS HB2 . . 4.680 4.028 3.583 4.572 . 0 0 "[ . 1 . 2]" 1
846 1 72 ILE MG 1 80 TRP HH2 . . 5.500 5.270 5.062 5.425 . 0 0 "[ . 1 . 2]" 1
847 1 73 LEU H 1 73 LEU HB2 . . 3.820 2.267 2.241 2.290 . 0 0 "[ . 1 . 2]" 1
848 1 73 LEU H 1 73 LEU MD1 . . 4.190 3.683 3.585 3.804 . 0 0 "[ . 1 . 2]" 1
849 1 73 LEU H 1 73 LEU QD . . 3.470 2.117 2.000 2.261 . 0 0 "[ . 1 . 2]" 1
850 1 73 LEU H 1 73 LEU MD2 . . 4.190 2.130 2.010 2.278 . 0 0 "[ . 1 . 2]" 1
851 1 73 LEU H 1 73 LEU HG . . 4.070 3.992 3.939 4.061 . 0 0 "[ . 1 . 2]" 1
852 1 73 LEU HA 1 73 LEU MD1 . . 4.510 1.954 1.932 2.085 . 0 0 "[ . 1 . 2]" 1
853 1 73 LEU HA 1 73 LEU QD . . 3.680 1.912 1.897 2.014 . 0 0 "[ . 1 . 2]" 1
854 1 73 LEU HA 1 73 LEU MD2 . . 4.510 2.722 2.618 2.798 . 0 0 "[ . 1 . 2]" 1
855 1 73 LEU HA 1 74 HIS HA . . 4.430 4.411 4.385 4.444 0.014 6 0 "[ . 1 . 2]" 1
856 1 73 LEU HB2 1 73 LEU MD1 . . 3.620 3.195 3.182 3.198 . 0 0 "[ . 1 . 2]" 1
857 1 73 LEU HB2 1 73 LEU QD . . 3.040 2.226 2.190 2.277 . 0 0 "[ . 1 . 2]" 1
858 1 73 LEU HB2 1 73 LEU MD2 . . 3.620 2.271 2.230 2.333 . 0 0 "[ . 1 . 2]" 1
859 1 73 LEU HB2 1 80 TRP HH2 . . 4.040 2.838 2.705 2.983 . 0 0 "[ . 1 . 2]" 1
860 1 73 LEU HB2 1 80 TRP HZ2 . . 4.570 4.098 3.971 4.225 . 0 0 "[ . 1 . 2]" 1
861 1 73 LEU HB3 1 74 HIS H . . 5.030 3.657 3.451 3.851 . 0 0 "[ . 1 . 2]" 1
862 1 73 LEU HB3 1 80 TRP HH2 . . 3.630 1.981 1.967 1.996 . 0 0 "[ . 1 . 2]" 1
863 1 73 LEU HB3 1 80 TRP HZ2 . . 5.090 4.105 4.004 4.231 . 0 0 "[ . 1 . 2]" 1
864 1 73 LEU QD 1 80 TRP HH2 . . 4.000 3.720 3.678 3.741 . 0 0 "[ . 1 . 2]" 1
865 1 73 LEU MD1 1 80 TRP HH2 . . 4.660 3.932 3.862 3.999 . 0 0 "[ . 1 . 2]" 1
866 1 73 LEU MD2 1 80 TRP HH2 . . 4.660 4.596 4.499 4.671 0.011 7 0 "[ . 1 . 2]" 1
867 1 73 LEU HG 1 80 TRP HH2 . . 5.010 4.101 3.985 4.200 . 0 0 "[ . 1 . 2]" 1
868 1 74 HIS H 1 74 HIS HB2 . . 3.870 2.768 2.325 2.923 . 0 0 "[ . 1 . 2]" 1
869 1 74 HIS H 1 74 HIS HB3 . . 3.740 2.448 2.371 2.823 . 0 0 "[ . 1 . 2]" 1
870 1 74 HIS HA 1 75 ALA HA . . 4.700 4.361 4.357 4.366 . 0 0 "[ . 1 . 2]" 1
871 1 74 HIS HA 1 80 TRP HZ2 . . 4.170 3.754 3.544 4.046 . 0 0 "[ . 1 . 2]" 1
872 1 74 HIS HE1 1 75 ALA H . . 4.140 3.825 3.675 4.053 . 0 0 "[ . 1 . 2]" 1
873 1 75 ALA H 1 75 ALA MB . . 2.940 2.247 1.897 2.767 . 0 0 "[ . 1 . 2]" 1
874 1 75 ALA HA 1 76 PRO HD2 . . 3.780 2.488 2.472 2.500 . 0 0 "[ . 1 . 2]" 1
875 1 75 ALA HA 1 76 PRO HD3 . . 3.560 2.338 2.329 2.344 . 0 0 "[ . 1 . 2]" 1
876 1 75 ALA HA 1 80 TRP HA . . 4.730 4.685 4.545 4.752 0.022 1 0 "[ . 1 . 2]" 1
877 1 75 ALA HA 1 80 TRP HH2 . . 4.840 3.911 3.715 4.020 . 0 0 "[ . 1 . 2]" 1
878 1 75 ALA HA 1 80 TRP HZ2 . . 5.500 4.423 4.296 4.515 . 0 0 "[ . 1 . 2]" 1
879 1 75 ALA HA 1 80 TRP HZ3 . . 4.660 3.928 3.653 4.109 . 0 0 "[ . 1 . 2]" 1
880 1 75 ALA MB 1 76 PRO QB . . 4.740 4.481 4.151 4.915 0.175 2 0 "[ . 1 . 2]" 1
881 1 75 ALA MB 1 76 PRO HD2 . . 3.310 2.157 1.891 2.472 . 0 0 "[ . 1 . 2]" 1
882 1 75 ALA MB 1 76 PRO HD3 . . 3.290 3.230 2.999 3.446 0.156 19 0 "[ . 1 . 2]" 1
883 1 75 ALA MB 1 79 GLY H . . 4.030 3.639 3.183 4.311 0.281 2 0 "[ . 1 . 2]" 1
884 1 75 ALA MB 1 80 TRP HA . . 4.120 3.397 2.979 3.957 . 0 0 "[ . 1 . 2]" 1
885 1 75 ALA MB 1 80 TRP HD1 . . 4.060 3.811 3.529 4.058 . 0 0 "[ . 1 . 2]" 1
886 1 75 ALA MB 1 80 TRP HE1 . . 3.880 3.137 2.884 3.386 . 0 0 "[ . 1 . 2]" 1
887 1 75 ALA MB 1 80 TRP HE3 . . 3.980 3.816 3.288 4.471 0.491 15 0 "[ . 1 . 2]" 1
888 1 75 ALA MB 1 80 TRP HH2 . . 4.910 3.933 3.551 4.533 . 0 0 "[ . 1 . 2]" 1
889 1 75 ALA MB 1 80 TRP HZ2 . . 4.170 3.189 2.955 3.628 . 0 0 "[ . 1 . 2]" 1
890 1 75 ALA MB 1 80 TRP HZ3 . . 4.810 4.183 3.621 4.871 0.061 15 0 "[ . 1 . 2]" 1
891 1 76 PRO QB 1 77 ASP H . . 4.230 2.081 2.035 2.100 . 0 0 "[ . 1 . 2]" 1
892 1 76 PRO QB 1 77 ASP HA . . 4.410 4.304 4.275 4.310 . 0 0 "[ . 1 . 2]" 1
893 1 76 PRO QB 1 78 ALA MB . . 3.220 3.227 2.749 3.851 0.631 13 5 "[ . - 1**+ . * 2]" 1
894 1 76 PRO QB 1 79 GLY H . . 4.250 3.277 3.225 3.597 . 0 0 "[ . 1 . 2]" 1
895 1 76 PRO HD2 1 80 TRP HZ3 . . 5.330 5.123 4.910 5.257 . 0 0 "[ . 1 . 2]" 1
896 1 76 PRO HD3 1 80 TRP HA . . 4.450 4.343 4.051 4.464 0.014 1 0 "[ . 1 . 2]" 1
897 1 76 PRO HD3 1 80 TRP HE3 . . 4.770 4.723 4.219 4.820 0.050 18 0 "[ . 1 . 2]" 1
898 1 76 PRO HD3 1 80 TRP HZ3 . . 4.910 4.757 4.247 4.916 0.006 2 0 "[ . 1 . 2]" 1
899 1 76 PRO HG2 1 77 ASP H . . 4.250 3.989 3.940 4.009 . 0 0 "[ . 1 . 2]" 1
900 1 77 ASP H 1 77 ASP QB . . 3.400 2.375 2.174 2.687 . 0 0 "[ . 1 . 2]" 1
901 1 77 ASP QB 1 78 ALA H . . 4.210 3.481 3.373 3.914 . 0 0 "[ . 1 . 2]" 1
902 1 77 ASP QB 1 78 ALA MB . . 4.840 3.995 3.589 4.701 . 0 0 "[ . 1 . 2]" 1
903 1 78 ALA H 1 78 ALA MB . . 2.830 2.400 2.036 2.875 0.045 17 0 "[ . 1 . 2]" 1
904 1 78 ALA H 1 79 GLY H . . 4.330 2.022 1.997 2.055 . 0 0 "[ . 1 . 2]" 1
905 1 78 ALA MB 1 79 GLY H . . 3.480 2.925 2.557 3.307 . 0 0 "[ . 1 . 2]" 1
906 1 80 TRP H 1 80 TRP HB2 . . 4.160 2.405 2.351 2.447 . 0 0 "[ . 1 . 2]" 1
907 1 80 TRP H 1 80 TRP HD1 . . 4.000 3.110 2.914 3.289 . 0 0 "[ . 1 . 2]" 1
908 1 80 TRP HA 1 80 TRP HD1 . . 4.560 4.422 4.385 4.463 . 0 0 "[ . 1 . 2]" 1
909 1 80 TRP HA 1 80 TRP HE3 . . 3.420 2.533 2.364 2.645 . 0 0 "[ . 1 . 2]" 1
910 1 80 TRP HB2 1 80 TRP HD1 . . 3.800 2.563 2.549 2.576 . 0 0 "[ . 1 . 2]" 1
911 1 80 TRP HB3 1 80 TRP HD1 . . 3.700 3.681 3.634 3.711 0.011 10 0 "[ . 1 . 2]" 1
912 1 82 ASN HA 1 83 LEU QD . . 4.190 3.684 2.881 4.216 0.026 7 0 "[ . 1 . 2]" 1
913 1 83 LEU H 1 83 LEU MD1 . . 4.760 2.463 1.839 3.804 . 0 0 "[ . 1 . 2]" 1
914 1 83 LEU H 1 83 LEU MD2 . . 4.760 2.285 1.816 3.624 . 0 0 "[ . 1 . 2]" 1
915 1 83 LEU H 1 83 LEU HG . . 3.990 3.251 1.857 4.079 0.089 8 0 "[ . 1 . 2]" 1
916 1 83 LEU HA 1 83 LEU QD . . 3.970 3.154 3.009 3.329 . 0 0 "[ . 1 . 2]" 1
917 1 83 LEU HA 1 84 VAL H . . 3.210 2.648 2.637 2.676 . 0 0 "[ . 1 . 2]" 1
918 1 83 LEU HA 1 84 VAL QG . . 3.850 3.559 3.400 3.969 0.119 19 0 "[ . 1 . 2]" 1
919 1 83 LEU HB2 1 84 VAL H . . 4.250 2.000 1.904 2.264 . 0 0 "[ . 1 . 2]" 1
920 1 83 LEU HB2 1 84 VAL HB . . 5.470 4.596 4.254 5.405 . 0 0 "[ . 1 . 2]" 1
921 1 83 LEU HB3 1 84 VAL H . . 4.110 3.427 3.279 3.686 . 0 0 "[ . 1 . 2]" 1
922 1 83 LEU QD 1 84 VAL H . . 4.380 3.016 2.849 3.199 . 0 0 "[ . 1 . 2]" 1
923 1 83 LEU QD 1 84 VAL HA . . 5.020 3.566 3.385 3.896 . 0 0 "[ . 1 . 2]" 1
924 1 83 LEU QD 1 85 TYR HB3 . . 4.100 3.626 3.490 3.879 . 0 0 "[ . 1 . 2]" 1
925 1 83 LEU HG 1 84 VAL H . . 3.850 3.749 2.342 4.634 0.784 14 5 "[* * - 1 *+. 2]" 1
926 1 84 VAL H 1 84 VAL HB . . 3.440 2.744 2.559 3.635 0.195 13 0 "[ . 1 . 2]" 1
927 1 84 VAL H 1 84 VAL MG1 . . 4.290 3.300 1.880 3.846 . 0 0 "[ . 1 . 2]" 1
928 1 84 VAL H 1 84 VAL MG2 . . 4.290 2.825 1.869 3.804 . 0 0 "[ . 1 . 2]" 1
929 1 84 VAL HA 1 84 VAL MG1 . . 3.280 2.577 2.259 3.199 . 0 0 "[ . 1 . 2]" 1
930 1 84 VAL HA 1 84 VAL QG . . 2.690 2.179 2.099 2.363 . 0 0 "[ . 1 . 2]" 1
931 1 84 VAL HA 1 84 VAL MG2 . . 3.280 2.421 2.347 3.174 . 0 0 "[ . 1 . 2]" 1
932 1 84 VAL HA 1 85 TYR H . . 3.140 2.194 2.153 2.252 . 0 0 "[ . 1 . 2]" 1
933 1 84 VAL HA 1 85 TYR QD . . 4.510 3.975 3.841 4.154 . 0 0 "[ . 1 . 2]" 1
934 1 84 VAL HB 1 85 TYR H . . 4.820 3.949 3.084 4.155 . 0 0 "[ . 1 . 2]" 1
935 1 84 VAL QG 1 85 TYR H . . 3.650 2.400 2.167 3.432 . 0 0 "[ . 1 . 2]" 1
936 1 84 VAL QG 1 85 TYR HA . . 4.770 3.673 3.395 4.230 . 0 0 "[ . 1 . 2]" 1
937 1 84 VAL QG 1 85 TYR HB3 . . 4.530 4.408 4.297 5.078 0.548 13 1 "[ . 1 + . 2]" 1
938 1 85 TYR H 1 85 TYR QD . . 3.730 2.420 2.214 2.620 . 0 0 "[ . 1 . 2]" 1
939 1 85 TYR H 1 86 VAL H . . 5.500 4.530 4.487 4.567 . 0 0 "[ . 1 . 2]" 1
940 1 85 TYR HA 1 85 TYR QD . . 4.070 3.674 3.628 3.699 . 0 0 "[ . 1 . 2]" 1
941 1 85 TYR HA 1 86 VAL H . . 3.210 2.239 2.200 2.328 . 0 0 "[ . 1 . 2]" 1
942 1 85 TYR HB2 1 86 VAL H . . 5.330 2.996 2.774 3.121 . 0 0 "[ . 1 . 2]" 1
943 1 85 TYR HB3 1 86 VAL H . . 4.220 4.190 4.060 4.258 0.038 6 0 "[ . 1 . 2]" 1
944 1 85 TYR QD 1 86 VAL H . . 5.420 3.243 2.862 3.481 . 0 0 "[ . 1 . 2]" 1
945 1 85 TYR QD 1 87 VAL QG . . 3.680 3.393 3.105 3.586 . 0 0 "[ . 1 . 2]" 1
946 1 85 TYR QE 1 87 VAL H . . 3.980 3.875 3.501 4.070 0.090 9 0 "[ . 1 . 2]" 1
947 1 85 TYR QE 1 87 VAL HA . . 3.940 2.597 2.173 3.060 . 0 0 "[ . 1 . 2]" 1
948 1 85 TYR QE 1 87 VAL HB . . 4.660 4.140 3.843 4.607 . 0 0 "[ . 1 . 2]" 1
949 1 85 TYR QE 1 87 VAL QG . . 3.350 1.960 1.864 2.251 . 0 0 "[ . 1 . 2]" 1
950 1 86 VAL H 1 86 VAL HB . . 4.160 2.553 2.495 2.661 . 0 0 "[ . 1 . 2]" 1
951 1 86 VAL H 1 86 VAL MG1 . . 4.340 3.811 3.790 3.839 . 0 0 "[ . 1 . 2]" 1
952 1 86 VAL H 1 86 VAL MG2 . . 3.210 2.600 2.185 2.818 . 0 0 "[ . 1 . 2]" 1
953 1 86 VAL HA 1 86 VAL MG1 . . 2.870 2.348 2.286 2.403 . 0 0 "[ . 1 . 2]" 1
954 1 86 VAL HA 1 86 VAL MG2 . . 3.370 2.327 2.229 2.478 . 0 0 "[ . 1 . 2]" 1
955 1 86 VAL HA 1 87 VAL H . . 3.070 2.146 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
956 1 86 VAL HA 1 87 VAL QG . . 4.070 3.367 3.293 3.481 . 0 0 "[ . 1 . 2]" 1
957 1 86 VAL MG1 1 87 VAL H . . 3.100 2.690 2.320 2.931 . 0 0 "[ . 1 . 2]" 1
958 1 86 VAL MG1 1 87 VAL QG . . 3.070 3.284 2.879 3.889 0.819 17 7 "[****. -* . + 2]" 1
959 1 86 VAL MG2 1 87 VAL H . . 3.940 4.078 3.976 4.233 0.293 18 0 "[ . 1 . 2]" 1
960 1 86 VAL MG2 1 87 VAL QG . . 4.500 4.585 4.435 4.790 0.290 17 0 "[ . 1 . 2]" 1
961 1 87 VAL H 1 87 VAL QG . . 2.840 1.929 1.812 2.072 . 0 0 "[ . 1 . 2]" 1
962 1 87 VAL HA 1 87 VAL QG . . 2.820 2.212 1.987 2.315 . 0 0 "[ . 1 . 2]" 1
963 1 87 VAL HA 1 88 ASN H . . 3.180 2.230 2.171 2.316 . 0 0 "[ . 1 . 2]" 1
964 1 87 VAL HA 1 88 ASN QB . . 4.310 4.041 3.890 4.466 0.156 2 0 "[ . 1 . 2]" 1
965 1 87 VAL HB 1 88 ASN H . . 4.340 3.197 2.701 3.900 . 0 0 "[ . 1 . 2]" 1
966 1 87 VAL HB 1 88 ASN HA . . 4.990 4.306 4.207 4.418 . 0 0 "[ . 1 . 2]" 1
967 1 87 VAL QG 1 88 ASN H . . 3.720 2.960 2.021 3.457 . 0 0 "[ . 1 . 2]" 1
968 1 88 ASN H 1 88 ASN HB2 . . 4.110 3.155 2.870 3.940 . 0 0 "[ . 1 . 2]" 1
969 1 88 ASN H 1 88 ASN QB . . 3.520 2.776 2.717 3.074 . 0 0 "[ . 1 . 2]" 1
970 1 88 ASN H 1 88 ASN HB3 . . 4.110 3.176 2.981 3.932 . 0 0 "[ . 1 . 2]" 1
971 1 88 ASN HA 1 89 TYR H . . 3.530 2.185 2.138 2.269 . 0 0 "[ . 1 . 2]" 1
972 1 88 ASN QB 1 89 TYR H . . 4.280 3.757 2.950 4.009 . 0 0 "[ . 1 . 2]" 1
973 1 89 TYR H 1 89 TYR QB . . 3.690 2.832 2.476 3.437 . 0 0 "[ . 1 . 2]" 1
974 1 89 TYR H 1 89 TYR QD . . 4.580 2.920 2.106 3.280 . 0 0 "[ . 1 . 2]" 1
975 1 89 TYR H 1 89 TYR QE . . 5.020 4.340 4.057 4.500 . 0 0 "[ . 1 . 2]" 1
976 1 89 TYR HA 1 89 TYR QD . . 3.520 2.878 2.170 3.741 0.221 6 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 7:14:21 PM GMT (wattos1)