NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
625782 |
5n9q   |
27034 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5n9q
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 1243
_Distance_constraint_stats_list.Viol_count 1797
_Distance_constraint_stats_list.Viol_total 2283.928
_Distance_constraint_stats_list.Viol_max 1.528
_Distance_constraint_stats_list.Viol_rms 0.0591
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0847
_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 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 7 GLY 0.043 0.025 8 0 "[ . 1 .]"
1 8 VAL 0.057 0.025 8 0 "[ . 1 .]"
1 9 THR 0.402 0.120 6 0 "[ . 1 .]"
1 10 LEU 0.388 0.120 6 0 "[ . 1 .]"
1 11 GLU 0.301 0.069 10 0 "[ . 1 .]"
1 12 GLY 0.166 0.069 10 0 "[ . 1 .]"
1 13 PRO 0.021 0.014 2 0 "[ . 1 .]"
1 14 LYS 0.878 0.126 4 0 "[ . 1 .]"
1 15 ASP 3.871 1.111 9 2 "[ . +1 -.]"
1 16 LEU 10.653 1.225 12 8 "[ - ** **1 + **]"
1 17 PRO 7.268 1.225 12 6 "[ - ** * 1 + *]"
1 18 PRO 0.086 0.026 6 0 "[ . 1 .]"
1 19 GLN 0.112 0.040 8 0 "[ . 1 .]"
1 20 LEU 4.405 0.904 7 3 "[* . + - .]"
1 21 GLU 4.681 0.904 7 3 "[* . + - .]"
1 22 SER 0.239 0.070 5 0 "[ . 1 .]"
1 24 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 27 ARG 1.227 0.151 2 0 "[ . 1 .]"
1 28 GLY 0.862 0.151 2 0 "[ . 1 .]"
1 32 ALA 0.452 0.113 4 0 "[ . 1 .]"
1 33 ASN 0.452 0.113 4 0 "[ . 1 .]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 39 THR 0.000 0.000 . 0 "[ . 1 .]"
1 40 THR 0.000 0.000 . 0 "[ . 1 .]"
1 41 ARG 0.514 0.070 2 0 "[ . 1 .]"
1 42 PRO 0.203 0.070 2 0 "[ . 1 .]"
1 43 LYS 0.028 0.013 10 0 "[ . 1 .]"
1 45 PRO 0.506 0.109 6 0 "[ . 1 .]"
1 46 TRP 1.540 0.161 10 0 "[ . 1 .]"
1 47 MET 0.813 0.101 12 0 "[ . 1 .]"
1 51 THR 0.722 0.158 4 0 "[ . 1 .]"
1 52 LEU 8.784 1.133 15 4 "[ -. * 1* +]"
1 53 PHE 3.177 0.690 11 1 "[ . 1+ .]"
1 54 ALA 2.098 0.429 5 0 "[ . 1 .]"
1 55 ALA 2.171 0.437 3 0 "[ . 1 .]"
1 56 ILE 6.110 1.133 15 4 "[ -. * 1* +]"
1 57 SER 0.650 0.062 4 0 "[ . 1 .]"
1 58 HIS 0.977 0.089 11 0 "[ . 1 .]"
1 59 LYS 2.167 0.496 3 0 "[ . 1 .]"
1 60 VAL 9.145 0.804 5 7 "[* + * **-* .]"
1 61 ALA 3.279 0.193 4 0 "[ . 1 .]"
1 62 GLU 1.951 0.449 4 0 "[ . 1 .]"
1 63 ASN 2.700 1.030 15 1 "[ . 1 +]"
1 64 ASP 5.508 0.804 5 2 "[- + 1 .]"
1 65 MET 7.433 0.725 7 5 "[ . + **-* .]"
1 66 LEU 13.097 1.030 15 2 "[ *. 1 +]"
1 67 LEU 3.993 0.128 2 0 "[ . 1 .]"
1 68 ILE 3.222 0.089 15 0 "[ . 1 .]"
1 69 ASN 4.343 0.777 4 1 "[ +. 1 .]"
1 70 ALA 6.093 0.441 5 0 "[ . 1 .]"
1 71 ASP 1.143 0.083 13 0 "[ . 1 .]"
1 72 TYR 0.789 0.071 12 0 "[ . 1 .]"
1 73 GLN 9.542 0.695 3 11 "[**+*** * * *- *]"
1 74 GLN 1.035 0.073 6 0 "[ . 1 .]"
1 75 LEU 12.403 0.695 3 11 "[**+*** * * *- *]"
1 76 ARG 0.726 0.084 7 0 "[ . 1 .]"
1 77 ASP 0.612 0.063 3 0 "[ . 1 .]"
1 78 LYS 0.543 0.063 3 0 "[ . 1 .]"
1 79 LYS 0.821 0.085 3 0 "[ . 1 .]"
1 80 MET 0.896 0.117 11 0 "[ . 1 .]"
1 81 THR 1.051 0.119 7 0 "[ . 1 .]"
1 82 ARG 1.139 0.078 8 0 "[ . 1 .]"
1 83 ALA 0.591 0.078 8 0 "[ . 1 .]"
1 84 GLU 0.285 0.073 6 0 "[ . 1 .]"
1 85 PHE 1.626 0.244 7 0 "[ . 1 .]"
1 86 VAL 0.457 0.032 12 0 "[ . 1 .]"
1 87 ARG 1.164 0.201 3 0 "[ . 1 .]"
1 88 LYS 5.803 0.544 13 2 "[ . - 1 + .]"
1 89 LEU 27.927 1.528 2 9 "[*+**.** -** .]"
1 90 ARG 26.263 1.528 2 14 "[*+***** -******]"
1 91 VAL 8.955 0.544 13 2 "[ . - 1 + .]"
1 92 ILE 2.480 0.784 10 1 "[ . + .]"
1 93 VAL 10.472 0.952 5 12 "[** *+** -** ***]"
1 94 GLY 0.427 0.065 13 0 "[ . 1 .]"
1 95 ASP 8.842 1.052 10 8 "[-***. * *+ * .]"
1 96 ASP 1.023 0.360 2 0 "[ . 1 .]"
1 97 LEU 1.989 0.617 2 1 "[ + . 1 .]"
1 98 LEU 1.303 0.637 9 2 "[- . +1 .]"
1 99 ARG 1.841 0.082 13 0 "[ . 1 .]"
1 100 SER 1.456 0.617 2 1 "[ + . 1 .]"
1 101 THR 2.563 0.240 12 0 "[ . 1 .]"
1 102 ILE 2.216 0.102 13 0 "[ . 1 .]"
1 103 THR 1.415 0.102 13 0 "[ . 1 .]"
1 104 THR 4.443 0.548 13 1 "[ . 1 + .]"
1 105 LEU 7.104 0.548 13 1 "[ . 1 + .]"
1 106 GLN 2.235 0.156 8 0 "[ . 1 .]"
1 107 ASN 1.434 0.156 8 0 "[ . 1 .]"
1 108 GLN 1.083 0.290 3 0 "[ . 1 .]"
1 109 PRO 1.147 0.072 9 0 "[ . 1 .]"
1 110 LYS 0.725 0.096 2 0 "[ . 1 .]"
1 111 SER 0.104 0.096 2 0 "[ . 1 .]"
1 112 LYS 0.265 0.121 12 0 "[ . 1 .]"
1 113 GLU 0.278 0.121 12 0 "[ . 1 .]"
1 114 ILE 1.459 0.081 1 0 "[ . 1 .]"
1 115 PRO 1.071 0.072 1 0 "[ . 1 .]"
1 116 GLY 0.107 0.056 14 0 "[ . 1 .]"
1 117 SER 0.506 0.067 2 0 "[ . 1 .]"
1 118 ILE 1.282 0.088 8 0 "[ . 1 .]"
1 119 ARG 0.474 0.062 7 0 "[ . 1 .]"
1 120 ASP 0.275 0.054 10 0 "[ . 1 .]"
1 121 HIS 0.703 0.094 3 0 "[ . 1 .]"
1 122 GLU 0.510 0.094 3 0 "[ . 1 .]"
1 123 GLU 0.054 0.037 14 0 "[ . 1 .]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 126 GLY 2.064 0.799 8 2 "[ . + 1 -]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 128 LEU 2.381 0.799 8 2 "[ . + 1 -]"
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 PRO QG 1 4 GLU H . . 5.210 4.142 2.650 4.640 . 0 0 "[ . 1 .]" 1
2 1 5 PHE HA 1 5 PHE QD . . 4.150 2.689 2.167 3.783 . 0 0 "[ . 1 .]" 1
3 1 7 GLY QA 1 8 VAL HB . . 4.530 4.226 3.930 4.555 0.025 8 0 "[ . 1 .]" 1
4 1 7 GLY QA 1 8 VAL QG . . 4.510 3.672 3.303 4.259 . 0 0 "[ . 1 .]" 1
5 1 8 VAL H 1 8 VAL HB . . 3.870 2.900 2.315 3.643 . 0 0 "[ . 1 .]" 1
6 1 8 VAL H 1 8 VAL QG . . 3.620 2.424 1.893 3.262 . 0 0 "[ . 1 .]" 1
7 1 8 VAL HA 1 8 VAL QG . . 3.070 2.280 2.186 2.405 . 0 0 "[ . 1 .]" 1
8 1 8 VAL HA 1 9 THR H . . 3.330 2.291 2.102 3.344 0.014 5 0 "[ . 1 .]" 1
9 1 8 VAL HB 1 9 THR H . . 4.490 4.135 3.965 4.412 . 0 0 "[ . 1 .]" 1
10 1 8 VAL QG 1 9 THR H . . 3.910 2.465 2.154 3.138 . 0 0 "[ . 1 .]" 1
11 1 8 VAL QG 1 9 THR HA . . 3.970 3.662 3.284 3.954 . 0 0 "[ . 1 .]" 1
12 1 8 VAL MG1 1 9 THR HA . . 4.750 4.232 3.643 4.643 . 0 0 "[ . 1 .]" 1
13 1 8 VAL MG2 1 9 THR HA . . 4.750 4.061 3.399 4.513 . 0 0 "[ . 1 .]" 1
14 1 9 THR H 1 9 THR HB . . 4.060 3.194 2.479 3.914 . 0 0 "[ . 1 .]" 1
15 1 9 THR H 1 9 THR MG . . 4.420 3.092 2.231 3.999 . 0 0 "[ . 1 .]" 1
16 1 9 THR HA 1 9 THR MG . . 3.460 2.494 2.271 3.256 . 0 0 "[ . 1 .]" 1
17 1 9 THR HA 1 10 LEU H . . 3.140 2.309 2.104 3.260 0.120 6 0 "[ . 1 .]" 1
18 1 9 THR HA 1 10 LEU HG . . 3.930 3.708 2.692 3.963 0.033 4 0 "[ . 1 .]" 1
19 1 9 THR HB 1 10 LEU H . . 4.020 3.519 2.315 4.073 0.053 6 0 "[ . 1 .]" 1
20 1 9 THR MG 1 10 LEU H . . 4.660 3.180 2.430 4.066 . 0 0 "[ . 1 .]" 1
21 1 10 LEU H 1 10 LEU MD1 . . 4.830 3.828 3.434 4.393 . 0 0 "[ . 1 .]" 1
22 1 10 LEU H 1 10 LEU QD . . 4.100 3.289 2.969 3.649 . 0 0 "[ . 1 .]" 1
23 1 10 LEU H 1 10 LEU MD2 . . 4.830 3.639 3.020 4.141 . 0 0 "[ . 1 .]" 1
24 1 10 LEU H 1 10 LEU HG . . 3.570 2.636 2.001 3.234 . 0 0 "[ . 1 .]" 1
25 1 11 GLU HA 1 11 GLU QG . . 2.900 2.636 2.215 2.966 0.066 13 0 "[ . 1 .]" 1
26 1 11 GLU HA 1 12 GLY H . . 2.940 2.257 2.023 2.467 . 0 0 "[ . 1 .]" 1
27 1 11 GLU QB 1 12 GLY H . . 4.030 3.001 2.334 3.821 . 0 0 "[ . 1 .]" 1
28 1 11 GLU QB 1 12 GLY QA . . 4.600 4.006 3.608 4.611 0.011 15 0 "[ . 1 .]" 1
29 1 11 GLU QG 1 12 GLY H . . 4.260 3.580 2.242 4.329 0.069 10 0 "[ . 1 .]" 1
30 1 12 GLY H 1 13 PRO QD . . 4.450 4.353 4.191 4.464 0.014 2 0 "[ . 1 .]" 1
31 1 12 GLY QA 1 13 PRO QD . . 2.650 2.072 2.025 2.104 . 0 0 "[ . 1 .]" 1
32 1 12 GLY HA2 1 13 PRO QD . . 3.040 2.332 2.140 2.553 . 0 0 "[ . 1 .]" 1
33 1 12 GLY HA3 1 13 PRO QD . . 3.040 2.392 2.148 2.753 . 0 0 "[ . 1 .]" 1
34 1 13 PRO HA 1 14 LYS H . . 2.780 2.252 2.095 2.551 . 0 0 "[ . 1 .]" 1
35 1 13 PRO QD 1 14 LYS H . . 5.000 4.903 4.146 5.004 0.004 1 0 "[ . 1 .]" 1
36 1 14 LYS H 1 15 ASP H . . 4.330 2.895 1.764 4.456 0.126 4 0 "[ . 1 .]" 1
37 1 14 LYS HA 1 14 LYS QG . . 3.250 2.810 2.296 3.336 0.086 9 0 "[ . 1 .]" 1
38 1 14 LYS HA 1 15 ASP H . . 3.260 2.928 2.121 3.385 0.125 8 0 "[ . 1 .]" 1
39 1 14 LYS QB 1 15 ASP H . . 4.010 3.473 2.448 3.961 . 0 0 "[ . 1 .]" 1
40 1 15 ASP H 1 15 ASP QB . . 3.340 2.574 2.263 2.912 . 0 0 "[ . 1 .]" 1
41 1 15 ASP H 1 16 LEU H . . 3.950 3.599 2.764 4.150 0.200 11 0 "[ . 1 .]" 1
42 1 15 ASP HA 1 15 ASP QB . . 2.610 2.343 2.136 2.454 . 0 0 "[ . 1 .]" 1
43 1 15 ASP HA 1 16 LEU H . . 2.730 2.449 2.173 2.779 0.049 9 0 "[ . 1 .]" 1
44 1 15 ASP HA 1 16 LEU QD . . 3.880 3.924 2.851 4.991 1.111 9 2 "[ . +1 -.]" 1
45 1 15 ASP QB 1 16 LEU H . . 4.300 3.938 3.073 4.092 . 0 0 "[ . 1 .]" 1
46 1 16 LEU H 1 16 LEU QB . . 3.710 2.496 2.222 3.371 . 0 0 "[ . 1 .]" 1
47 1 16 LEU H 1 16 LEU HG . . 4.300 3.631 2.185 4.226 . 0 0 "[ . 1 .]" 1
48 1 16 LEU H 1 17 PRO HD2 . . 5.350 5.129 4.866 5.357 0.007 10 0 "[ . 1 .]" 1
49 1 16 LEU H 1 17 PRO QD . . 4.530 4.444 4.186 4.499 . 0 0 "[ . 1 .]" 1
50 1 16 LEU H 1 17 PRO HD3 . . 5.350 4.902 4.402 5.210 . 0 0 "[ . 1 .]" 1
51 1 16 LEU HA 1 16 LEU MD1 . . 4.040 3.264 2.115 4.067 0.027 2 0 "[ . 1 .]" 1
52 1 16 LEU HA 1 16 LEU QD . . 3.490 2.650 2.051 3.418 . 0 0 "[ . 1 .]" 1
53 1 16 LEU HA 1 16 LEU MD2 . . 4.040 3.048 2.116 3.768 . 0 0 "[ . 1 .]" 1
54 1 16 LEU HA 1 17 PRO HD2 . . 2.940 2.777 2.407 2.978 0.038 14 0 "[ . 1 .]" 1
55 1 16 LEU HA 1 17 PRO QD . . 2.550 2.085 1.958 2.253 . 0 0 "[ . 1 .]" 1
56 1 16 LEU HA 1 17 PRO HD3 . . 2.940 2.186 1.991 2.490 . 0 0 "[ . 1 .]" 1
57 1 16 LEU HA 1 17 PRO QG . . 4.240 4.013 3.851 4.249 0.009 11 0 "[ . 1 .]" 1
58 1 16 LEU QB 1 17 PRO HD2 . . 3.750 2.377 2.098 2.991 . 0 0 "[ . 1 .]" 1
59 1 16 LEU QB 1 17 PRO QD . . 3.120 2.313 2.057 2.863 . 0 0 "[ . 1 .]" 1
60 1 16 LEU QB 1 17 PRO HD3 . . 3.750 3.246 2.867 3.735 . 0 0 "[ . 1 .]" 1
61 1 16 LEU QD 1 17 PRO QD . . 3.230 2.802 2.159 3.627 0.397 12 0 "[ . 1 .]" 1
62 1 16 LEU QD 1 17 PRO QG . . 3.820 4.175 3.374 5.045 1.225 12 6 "[ - ** * 1 + *]" 1
63 1 16 LEU MD1 1 17 PRO HD2 . . 4.950 3.385 2.271 4.376 . 0 0 "[ . 1 .]" 1
64 1 16 LEU MD1 1 17 PRO HD3 . . 4.950 4.165 2.536 4.986 0.036 11 0 "[ . 1 .]" 1
65 1 16 LEU MD2 1 17 PRO HD2 . . 4.950 4.056 2.515 4.903 . 0 0 "[ . 1 .]" 1
66 1 16 LEU MD2 1 17 PRO HD3 . . 4.950 4.368 3.062 4.984 0.034 12 0 "[ . 1 .]" 1
67 1 17 PRO HA 1 18 PRO HD2 . . 2.810 2.480 2.227 2.823 0.013 4 0 "[ . 1 .]" 1
68 1 17 PRO HA 1 18 PRO QD . . 2.450 2.114 2.020 2.245 . 0 0 "[ . 1 .]" 1
69 1 17 PRO HA 1 18 PRO HD3 . . 2.810 2.346 2.070 2.503 . 0 0 "[ . 1 .]" 1
70 1 17 PRO QB 1 18 PRO QD . . 3.530 2.648 2.205 3.362 . 0 0 "[ . 1 .]" 1
71 1 18 PRO HA 1 19 GLN H . . 3.090 2.325 2.182 2.558 . 0 0 "[ . 1 .]" 1
72 1 18 PRO QD 1 19 GLN H . . 4.960 4.936 4.838 4.986 0.026 6 0 "[ . 1 .]" 1
73 1 18 PRO QG 1 19 GLN H . . 5.500 4.301 3.855 4.697 . 0 0 "[ . 1 .]" 1
74 1 19 GLN H 1 19 GLN HB2 . . 4.030 2.964 2.357 3.977 . 0 0 "[ . 1 .]" 1
75 1 19 GLN H 1 19 GLN QB . . 3.400 2.448 2.141 3.114 . 0 0 "[ . 1 .]" 1
76 1 19 GLN H 1 19 GLN HB3 . . 4.030 3.019 2.247 3.728 . 0 0 "[ . 1 .]" 1
77 1 19 GLN H 1 19 GLN QG . . 3.990 2.767 2.179 3.992 0.002 4 0 "[ . 1 .]" 1
78 1 19 GLN HA 1 19 GLN QG . . 3.440 3.008 2.348 3.480 0.040 8 0 "[ . 1 .]" 1
79 1 19 GLN HA 1 20 LEU H . . 3.510 2.566 2.141 3.464 . 0 0 "[ . 1 .]" 1
80 1 19 GLN HE22 1 19 GLN QG . . 3.740 3.300 3.241 3.460 . 0 0 "[ . 1 .]" 1
81 1 20 LEU HA 1 20 LEU QD . . 3.510 2.590 2.059 3.490 . 0 0 "[ . 1 .]" 1
82 1 20 LEU HA 1 21 GLU H . . 3.260 2.332 2.131 3.383 0.123 7 0 "[ . 1 .]" 1
83 1 20 LEU QB 1 20 LEU QD . . 2.840 1.999 1.892 2.102 . 0 0 "[ . 1 .]" 1
84 1 20 LEU QD 1 21 GLU H . . 4.080 2.912 1.942 4.279 0.199 7 0 "[ . 1 .]" 1
85 1 20 LEU QD 1 21 GLU QB . . 3.940 4.108 3.461 4.844 0.904 7 3 "[* . + - .]" 1
86 1 21 GLU H 1 21 GLU QB . . 3.610 2.561 2.092 3.257 . 0 0 "[ . 1 .]" 1
87 1 21 GLU HA 1 21 GLU QG . . 3.470 2.874 2.242 3.489 0.019 7 0 "[ . 1 .]" 1
88 1 21 GLU QG 1 22 SER H . . 3.620 3.249 2.481 3.690 0.070 5 0 "[ . 1 .]" 1
89 1 22 SER HA 1 22 SER QB . . 2.740 2.331 2.165 2.464 . 0 0 "[ . 1 .]" 1
90 1 24 GLN HA 1 24 GLN QB . . 2.630 2.313 2.153 2.441 . 0 0 "[ . 1 .]" 1
91 1 24 GLN HA 1 24 GLN QG . . 3.680 2.938 2.372 3.582 . 0 0 "[ . 1 .]" 1
92 1 25 GLY QA 1 26 ALA H . . 3.520 2.351 2.053 2.990 . 0 0 "[ . 1 .]" 1
93 1 25 GLY QA 1 26 ALA MB . . 4.390 3.783 3.519 4.333 . 0 0 "[ . 1 .]" 1
94 1 27 ARG H 1 28 GLY QA . . 4.310 4.312 3.869 4.461 0.151 2 0 "[ . 1 .]" 1
95 1 27 ARG HA 1 27 ARG QD . . 4.000 3.273 2.163 4.099 0.099 14 0 "[ . 1 .]" 1
96 1 27 ARG QB 1 28 GLY QA . . 4.360 4.095 3.711 4.443 0.083 10 0 "[ . 1 .]" 1
97 1 27 ARG QD 1 28 GLY H . . 4.760 3.771 2.339 4.784 0.024 7 0 "[ . 1 .]" 1
98 1 27 ARG QG 1 28 GLY QA . . 4.240 3.703 3.262 4.275 0.035 8 0 "[ . 1 .]" 1
99 1 32 ALA MB 1 33 ASN HA . . 3.930 3.896 3.663 4.043 0.113 4 0 "[ . 1 .]" 1
100 1 35 VAL H 1 35 VAL QG . . 4.240 2.430 2.140 2.978 . 0 0 "[ . 1 .]" 1
101 1 39 THR HA 1 39 THR MG . . 2.910 2.403 2.300 2.703 . 0 0 "[ . 1 .]" 1
102 1 40 THR HB 1 41 ARG H . . 4.420 3.642 2.265 4.385 . 0 0 "[ . 1 .]" 1
103 1 41 ARG HA 1 41 ARG QD . . 3.830 3.198 2.095 3.887 0.057 15 0 "[ . 1 .]" 1
104 1 41 ARG HA 1 41 ARG QG . . 2.910 2.545 2.200 2.957 0.047 14 0 "[ . 1 .]" 1
105 1 41 ARG HA 1 42 PRO HD2 . . 2.930 2.394 2.089 2.953 0.023 9 0 "[ . 1 .]" 1
106 1 41 ARG HA 1 42 PRO QD . . 2.510 2.169 2.013 2.439 . 0 0 "[ . 1 .]" 1
107 1 41 ARG HA 1 42 PRO HD3 . . 2.930 2.655 2.049 3.000 0.070 2 0 "[ . 1 .]" 1
108 1 42 PRO QD 1 43 LYS H . . 4.960 4.547 2.740 4.973 0.013 10 0 "[ . 1 .]" 1
109 1 43 LYS HA 1 43 LYS QG . . 3.640 2.724 2.313 3.423 . 0 0 "[ . 1 .]" 1
110 1 45 PRO HA 1 46 TRP QB . . 4.720 4.039 3.202 4.773 0.053 2 0 "[ . 1 .]" 1
111 1 45 PRO HA 1 46 TRP HD1 . . 5.500 4.702 2.562 5.609 0.109 6 0 "[ . 1 .]" 1
112 1 45 PRO HA 1 47 MET ME . . 5.500 4.580 2.608 5.601 0.101 12 0 "[ . 1 .]" 1
113 1 46 TRP H 1 47 MET ME . . 4.420 3.699 2.203 4.476 0.056 7 0 "[ . 1 .]" 1
114 1 46 TRP HA 1 46 TRP HD1 . . 4.250 3.670 2.889 4.411 0.161 10 0 "[ . 1 .]" 1
115 1 46 TRP HA 1 47 MET ME . . 4.510 3.630 2.069 4.562 0.052 9 0 "[ . 1 .]" 1
116 1 46 TRP QB 1 46 TRP HD1 . . 3.570 2.684 2.351 3.189 . 0 0 "[ . 1 .]" 1
117 1 46 TRP QB 1 47 MET ME . . 5.230 4.098 2.424 5.254 0.024 5 0 "[ . 1 .]" 1
118 1 46 TRP QB 1 105 LEU QD . . 5.440 4.950 4.461 5.491 0.051 10 0 "[ . 1 .]" 1
119 1 46 TRP HH2 1 51 THR HB . . 4.100 3.916 3.078 4.256 0.156 15 0 "[ . 1 .]" 1
120 1 46 TRP HH2 1 51 THR MG . . 4.200 2.809 2.112 4.205 0.005 4 0 "[ . 1 .]" 1
121 1 46 TRP HZ2 1 51 THR MG . . 4.850 4.518 3.604 4.878 0.028 7 0 "[ . 1 .]" 1
122 1 46 TRP HZ3 1 105 LEU QD . . 5.280 3.897 2.256 5.088 . 0 0 "[ . 1 .]" 1
123 1 47 MET HA 1 47 MET ME . . 4.810 3.658 2.264 4.399 . 0 0 "[ . 1 .]" 1
124 1 47 MET ME 1 102 ILE HA . . 3.810 3.780 3.108 3.867 0.057 8 0 "[ . 1 .]" 1
125 1 47 MET ME 1 106 GLN HE21 . . 4.770 2.985 2.245 4.321 . 0 0 "[ . 1 .]" 1
126 1 47 MET ME 1 106 GLN QE . . 3.910 2.547 1.989 3.834 . 0 0 "[ . 1 .]" 1
127 1 47 MET ME 1 106 GLN HE22 . . 4.770 2.816 2.113 4.286 . 0 0 "[ . 1 .]" 1
128 1 51 THR HA 1 51 THR MG . . 3.030 2.455 2.231 3.188 0.158 4 0 "[ . 1 .]" 1
129 1 51 THR HA 1 54 ALA H . . 4.450 3.294 2.845 3.886 . 0 0 "[ . 1 .]" 1
130 1 51 THR HA 1 54 ALA MB . . 3.510 2.612 2.182 3.253 . 0 0 "[ . 1 .]" 1
131 1 51 THR HB 1 52 LEU H . . 3.990 3.197 2.629 4.021 0.031 4 0 "[ . 1 .]" 1
132 1 51 THR MG 1 105 LEU QD . . 3.810 2.868 2.110 3.606 . 0 0 "[ . 1 .]" 1
133 1 52 LEU H 1 52 LEU QD . . 4.480 3.408 2.049 3.774 . 0 0 "[ . 1 .]" 1
134 1 52 LEU H 1 52 LEU HG . . 4.840 4.123 2.594 4.572 . 0 0 "[ . 1 .]" 1
135 1 52 LEU HA 1 52 LEU QD . . 3.450 2.823 2.094 3.442 . 0 0 "[ . 1 .]" 1
136 1 52 LEU HA 1 54 ALA H . . 5.060 4.412 4.236 4.789 . 0 0 "[ . 1 .]" 1
137 1 52 LEU HA 1 55 ALA MB . . 3.510 2.785 2.223 3.526 0.016 11 0 "[ . 1 .]" 1
138 1 52 LEU QD 1 53 PHE HA . . 3.740 3.513 2.803 4.430 0.690 11 1 "[ . 1+ .]" 1
139 1 52 LEU QD 1 53 PHE QD . . 4.140 2.808 2.247 3.779 . 0 0 "[ . 1 .]" 1
140 1 52 LEU QD 1 53 PHE QE . . 4.490 2.818 2.236 3.531 . 0 0 "[ . 1 .]" 1
141 1 52 LEU QD 1 54 ALA H . . 4.950 4.890 4.123 5.379 0.429 5 0 "[ . 1 .]" 1
142 1 52 LEU QD 1 55 ALA H . . 5.080 4.804 3.746 5.517 0.437 3 0 "[ . 1 .]" 1
143 1 52 LEU QD 1 56 ILE H . . 4.810 4.714 3.731 5.943 1.133 15 4 "[ -. * 1* +]" 1
144 1 52 LEU MD1 1 53 PHE QD . . 4.830 3.883 2.251 4.841 0.011 3 0 "[ . 1 .]" 1
145 1 52 LEU MD1 1 53 PHE QE . . 5.270 3.871 2.292 5.273 0.003 6 0 "[ . 1 .]" 1
146 1 52 LEU MD2 1 53 PHE QD . . 4.830 3.468 2.412 4.824 . 0 0 "[ . 1 .]" 1
147 1 52 LEU MD2 1 53 PHE QE . . 5.270 3.408 2.449 5.292 0.022 8 0 "[ . 1 .]" 1
148 1 53 PHE HA 1 53 PHE QD . . 3.810 2.237 2.165 2.356 . 0 0 "[ . 1 .]" 1
149 1 53 PHE HA 1 56 ILE H . . 4.220 3.495 3.344 3.626 . 0 0 "[ . 1 .]" 1
150 1 53 PHE HA 1 56 ILE MD . . 3.650 2.501 2.440 2.591 . 0 0 "[ . 1 .]" 1
151 1 53 PHE HA 1 65 MET ME . . 4.480 3.439 3.203 3.662 . 0 0 "[ . 1 .]" 1
152 1 53 PHE HB2 1 54 ALA H . . 4.310 2.878 2.737 3.121 . 0 0 "[ . 1 .]" 1
153 1 53 PHE HB2 1 54 ALA HA . . 4.750 4.458 4.097 4.749 . 0 0 "[ . 1 .]" 1
154 1 53 PHE HB2 1 54 ALA MB . . 4.540 4.096 3.830 4.436 . 0 0 "[ . 1 .]" 1
155 1 53 PHE HB2 1 56 ILE MD . . 4.870 4.869 4.575 4.907 0.037 5 0 "[ . 1 .]" 1
156 1 53 PHE HB2 1 65 MET ME . . 4.510 3.383 3.097 3.669 . 0 0 "[ . 1 .]" 1
157 1 53 PHE HB3 1 54 ALA H . . 5.300 3.912 3.829 4.107 . 0 0 "[ . 1 .]" 1
158 1 53 PHE HB3 1 54 ALA HA . . 4.770 4.691 4.483 4.797 0.027 13 0 "[ . 1 .]" 1
159 1 53 PHE HB3 1 56 ILE MD . . 4.550 3.843 3.352 4.106 . 0 0 "[ . 1 .]" 1
160 1 53 PHE HB3 1 60 VAL QG . . 5.440 5.026 4.266 5.636 0.196 6 0 "[ . 1 .]" 1
161 1 53 PHE HB3 1 65 MET ME . . 3.580 2.260 2.072 2.491 . 0 0 "[ . 1 .]" 1
162 1 53 PHE QD 1 56 ILE MD . . 4.130 2.550 2.195 3.546 . 0 0 "[ . 1 .]" 1
163 1 53 PHE QD 1 56 ILE QG . . 4.410 3.530 3.288 3.727 . 0 0 "[ . 1 .]" 1
164 1 53 PHE QD 1 56 ILE MG . . 5.320 4.741 4.495 5.064 . 0 0 "[ . 1 .]" 1
165 1 53 PHE QD 1 65 MET ME . . 4.170 3.861 3.102 4.092 . 0 0 "[ . 1 .]" 1
166 1 53 PHE QD 1 68 ILE MD . . 5.500 4.493 3.938 5.495 . 0 0 "[ . 1 .]" 1
167 1 53 PHE QE 1 56 ILE MD . . 4.750 3.998 3.688 4.489 . 0 0 "[ . 1 .]" 1
168 1 53 PHE QE 1 68 ILE MD . . 5.500 4.745 4.253 5.504 0.004 6 0 "[ . 1 .]" 1
169 1 53 PHE QE 1 68 ILE MG . . 4.850 2.676 2.330 3.384 . 0 0 "[ . 1 .]" 1
170 1 53 PHE QE 1 89 LEU MD1 . . 4.810 2.939 2.150 4.810 . 0 0 "[ . 1 .]" 1
171 1 53 PHE QE 1 89 LEU QD . . 4.190 2.632 2.143 3.790 . 0 0 "[ . 1 .]" 1
172 1 53 PHE QE 1 89 LEU MD2 . . 4.810 3.455 2.554 4.811 0.001 14 0 "[ . 1 .]" 1
173 1 54 ALA H 1 54 ALA MB . . 2.930 2.218 2.184 2.239 . 0 0 "[ . 1 .]" 1
174 1 54 ALA H 1 55 ALA H . . 3.950 2.650 2.555 2.721 . 0 0 "[ . 1 .]" 1
175 1 54 ALA H 1 55 ALA HA . . 5.460 5.320 5.239 5.385 . 0 0 "[ . 1 .]" 1
176 1 54 ALA H 1 55 ALA MB . . 4.210 4.238 4.220 4.258 0.048 4 0 "[ . 1 .]" 1
177 1 54 ALA HA 1 56 ILE H . . 4.570 4.133 3.782 4.590 0.020 10 0 "[ . 1 .]" 1
178 1 54 ALA HA 1 57 SER H . . 4.120 3.391 3.067 3.672 . 0 0 "[ . 1 .]" 1
179 1 54 ALA MB 1 55 ALA H . . 3.330 2.779 2.467 3.150 . 0 0 "[ . 1 .]" 1
180 1 55 ALA H 1 55 ALA MB . . 3.130 2.186 2.113 2.264 . 0 0 "[ . 1 .]" 1
181 1 55 ALA H 1 56 ILE H . . 4.170 2.693 2.447 2.961 . 0 0 "[ . 1 .]" 1
182 1 55 ALA H 1 56 ILE MD . . 5.500 5.268 4.842 5.516 0.016 3 0 "[ . 1 .]" 1
183 1 55 ALA H 1 56 ILE MG . . 5.070 4.247 3.856 4.655 . 0 0 "[ . 1 .]" 1
184 1 55 ALA H 1 57 SER H . . 4.590 4.045 3.843 4.285 . 0 0 "[ . 1 .]" 1
185 1 55 ALA H 1 101 THR MG . . 4.810 4.457 4.007 4.839 0.029 10 0 "[ . 1 .]" 1
186 1 55 ALA H 1 105 LEU QD . . 5.440 4.244 3.584 5.070 . 0 0 "[ . 1 .]" 1
187 1 55 ALA HA 1 58 HIS HD2 . . 3.660 3.695 3.586 3.749 0.089 11 0 "[ . 1 .]" 1
188 1 55 ALA HA 1 101 THR MG . . 4.680 4.268 3.852 4.702 0.022 15 0 "[ . 1 .]" 1
189 1 55 ALA MB 1 56 ILE H . . 4.160 3.028 2.595 3.407 . 0 0 "[ . 1 .]" 1
190 1 55 ALA MB 1 56 ILE HA . . 4.490 4.273 4.071 4.501 0.011 5 0 "[ . 1 .]" 1
191 1 55 ALA MB 1 56 ILE MG . . 3.440 3.055 2.687 3.368 . 0 0 "[ . 1 .]" 1
192 1 55 ALA MB 1 58 HIS HD2 . . 4.790 4.638 4.479 4.816 0.026 15 0 "[ . 1 .]" 1
193 1 55 ALA MB 1 101 THR HA . . 4.880 4.512 3.535 4.910 0.030 11 0 "[ . 1 .]" 1
194 1 55 ALA MB 1 101 THR HB . . 4.910 4.252 3.617 4.714 . 0 0 "[ . 1 .]" 1
195 1 55 ALA MB 1 101 THR MG . . 2.750 2.169 1.940 2.359 . 0 0 "[ . 1 .]" 1
196 1 55 ALA MB 1 105 LEU QD . . 3.180 2.412 2.125 2.989 . 0 0 "[ . 1 .]" 1
197 1 56 ILE H 1 56 ILE MD . . 3.840 3.736 3.286 3.873 0.033 5 0 "[ . 1 .]" 1
198 1 56 ILE H 1 56 ILE QG . . 4.310 2.104 2.019 2.166 . 0 0 "[ . 1 .]" 1
199 1 56 ILE H 1 56 ILE MG . . 4.280 2.700 2.350 3.012 . 0 0 "[ . 1 .]" 1
200 1 56 ILE H 1 57 SER H . . 3.720 2.286 2.001 2.685 . 0 0 "[ . 1 .]" 1
201 1 56 ILE H 1 59 LYS HB2 . . 5.500 5.557 5.528 5.583 0.083 8 0 "[ . 1 .]" 1
202 1 56 ILE H 1 59 LYS QG . . 5.340 5.325 5.128 5.398 0.058 8 0 "[ . 1 .]" 1
203 1 56 ILE HA 1 56 ILE MG . . 3.150 2.342 2.250 2.406 . 0 0 "[ . 1 .]" 1
204 1 56 ILE HA 1 58 HIS HB3 . . 5.500 5.515 5.381 5.567 0.067 12 0 "[ . 1 .]" 1
205 1 56 ILE HA 1 59 LYS H . . 4.610 3.422 3.115 3.645 . 0 0 "[ . 1 .]" 1
206 1 56 ILE HA 1 59 LYS QD . . 4.700 3.847 2.424 4.709 0.009 5 0 "[ . 1 .]" 1
207 1 56 ILE HA 1 59 LYS QG . . 3.950 2.688 2.446 2.783 . 0 0 "[ . 1 .]" 1
208 1 56 ILE HB 1 56 ILE MD . . 3.180 2.484 2.348 2.667 . 0 0 "[ . 1 .]" 1
209 1 56 ILE HB 1 57 SER H . . 4.900 4.339 4.281 4.404 . 0 0 "[ . 1 .]" 1
210 1 56 ILE HB 1 59 LYS H . . 5.280 4.167 4.006 4.335 . 0 0 "[ . 1 .]" 1
211 1 56 ILE MD 1 57 SER H . . 4.600 4.498 2.835 4.662 0.062 4 0 "[ . 1 .]" 1
212 1 56 ILE QG 1 56 ILE MG . . 2.800 2.387 2.093 2.605 . 0 0 "[ . 1 .]" 1
213 1 56 ILE QG 1 57 SER H . . 3.820 2.972 2.815 3.340 . 0 0 "[ . 1 .]" 1
214 1 56 ILE QG 1 60 VAL H . . 5.210 4.130 3.671 5.176 . 0 0 "[ . 1 .]" 1
215 1 56 ILE MG 1 57 SER H . . 4.340 4.299 4.243 4.347 0.007 5 0 "[ . 1 .]" 1
216 1 56 ILE MG 1 59 LYS HB2 . . 4.340 3.696 3.548 3.905 . 0 0 "[ . 1 .]" 1
217 1 56 ILE MG 1 59 LYS HB3 . . 5.500 4.715 4.528 4.893 . 0 0 "[ . 1 .]" 1
218 1 56 ILE MG 1 59 LYS QD . . 5.100 4.032 2.604 5.107 0.007 6 0 "[ . 1 .]" 1
219 1 56 ILE MG 1 60 VAL H . . 5.410 5.076 4.806 5.452 0.042 5 0 "[ . 1 .]" 1
220 1 57 SER H 1 57 SER QB . . 3.370 2.336 2.129 2.502 . 0 0 "[ . 1 .]" 1
221 1 57 SER H 1 65 MET ME . . 3.730 3.676 3.527 3.769 0.039 11 0 "[ . 1 .]" 1
222 1 57 SER HA 1 60 VAL H . . 4.290 3.526 3.291 3.789 . 0 0 "[ . 1 .]" 1
223 1 57 SER HA 1 65 MET ME . . 3.490 3.031 2.528 3.387 . 0 0 "[ . 1 .]" 1
224 1 57 SER HA 1 65 MET QG . . 4.400 3.781 2.778 4.442 0.042 3 0 "[ . 1 .]" 1
225 1 57 SER QB 1 60 VAL H . . 5.340 5.183 4.972 5.353 0.013 7 0 "[ . 1 .]" 1
226 1 57 SER QB 1 65 MET ME . . 3.370 2.307 2.039 2.599 . 0 0 "[ . 1 .]" 1
227 1 57 SER QB 1 65 MET QG . . 4.820 4.162 3.322 4.840 0.020 3 0 "[ . 1 .]" 1
228 1 57 SER HB2 1 65 MET QG . . 5.500 4.515 3.577 5.420 . 0 0 "[ . 1 .]" 1
229 1 57 SER HB3 1 65 MET QG . . 5.500 4.965 3.942 5.509 0.009 1 0 "[ . 1 .]" 1
230 1 58 HIS HA 1 58 HIS HD2 . . 5.140 4.655 4.432 4.816 . 0 0 "[ . 1 .]" 1
231 1 58 HIS HA 1 60 VAL H . . 5.410 4.882 4.366 5.203 . 0 0 "[ . 1 .]" 1
232 1 58 HIS HB3 1 58 HIS HD2 . . 3.580 2.792 2.636 2.972 . 0 0 "[ . 1 .]" 1
233 1 58 HIS HD2 1 59 LYS QD . . 5.400 4.571 3.771 5.272 . 0 0 "[ . 1 .]" 1
234 1 58 HIS HE1 1 59 LYS QD . . 4.130 2.905 2.393 3.852 . 0 0 "[ . 1 .]" 1
235 1 58 HIS HE1 1 59 LYS QE . . 4.890 4.465 3.548 4.894 0.004 15 0 "[ . 1 .]" 1
236 1 59 LYS H 1 60 VAL H . . 3.450 2.134 1.927 2.424 . 0 0 "[ . 1 .]" 1
237 1 59 LYS H 1 60 VAL HA . . 5.250 4.886 4.766 5.136 . 0 0 "[ . 1 .]" 1
238 1 59 LYS H 1 60 VAL HB . . 5.500 4.706 4.082 5.539 0.039 5 0 "[ . 1 .]" 1
239 1 59 LYS H 1 60 VAL QG . . 4.070 3.526 2.916 3.851 . 0 0 "[ . 1 .]" 1
240 1 59 LYS HA 1 59 LYS QD . . 4.450 3.361 2.206 4.339 . 0 0 "[ . 1 .]" 1
241 1 59 LYS HA 1 59 LYS QG . . 3.610 2.791 2.425 3.130 . 0 0 "[ . 1 .]" 1
242 1 59 LYS HB2 1 60 VAL H . . 4.220 2.619 2.310 3.163 . 0 0 "[ . 1 .]" 1
243 1 59 LYS HB2 1 97 LEU QD . . 4.910 3.473 2.902 3.904 . 0 0 "[ . 1 .]" 1
244 1 59 LYS HB3 1 60 VAL H . . 5.170 3.657 3.246 4.132 . 0 0 "[ . 1 .]" 1
245 1 59 LYS HB3 1 97 LEU QD . . 5.440 3.120 2.132 3.884 . 0 0 "[ . 1 .]" 1
246 1 59 LYS QD 1 97 LEU MD1 . . 5.500 3.388 2.285 4.677 . 0 0 "[ . 1 .]" 1
247 1 59 LYS QD 1 97 LEU MD2 . . 5.500 3.299 2.231 4.687 . 0 0 "[ . 1 .]" 1
248 1 59 LYS QE 1 60 VAL QG . . 5.440 5.246 4.708 5.936 0.496 3 0 "[ . 1 .]" 1
249 1 59 LYS QE 1 97 LEU MD1 . . 4.150 3.002 1.985 4.165 0.015 5 0 "[ . 1 .]" 1
250 1 59 LYS QE 1 97 LEU MD2 . . 4.150 2.646 1.894 4.154 0.004 5 0 "[ . 1 .]" 1
251 1 60 VAL H 1 60 VAL HB . . 3.950 2.779 2.442 3.713 . 0 0 "[ . 1 .]" 1
252 1 60 VAL H 1 60 VAL MG1 . . 3.860 2.960 2.033 3.850 . 0 0 "[ . 1 .]" 1
253 1 60 VAL H 1 60 VAL QG . . 3.230 2.147 1.847 2.662 . 0 0 "[ . 1 .]" 1
254 1 60 VAL H 1 60 VAL MG2 . . 3.860 2.863 1.894 3.865 0.005 2 0 "[ . 1 .]" 1
255 1 60 VAL H 1 61 ALA H . . 4.770 4.647 4.550 4.723 . 0 0 "[ . 1 .]" 1
256 1 60 VAL HA 1 60 VAL MG1 . . 3.370 2.736 2.324 3.262 . 0 0 "[ . 1 .]" 1
257 1 60 VAL HA 1 60 VAL QG . . 2.910 2.253 2.147 2.391 . 0 0 "[ . 1 .]" 1
258 1 60 VAL HA 1 60 VAL MG2 . . 3.370 2.543 2.326 3.244 . 0 0 "[ . 1 .]" 1
259 1 60 VAL HA 1 61 ALA H . . 3.120 2.313 2.234 2.404 . 0 0 "[ . 1 .]" 1
260 1 60 VAL HA 1 61 ALA MB . . 4.010 4.026 3.936 4.054 0.044 9 0 "[ . 1 .]" 1
261 1 60 VAL HA 1 64 ASP HB3 . . 4.810 4.428 4.250 4.610 . 0 0 "[ . 1 .]" 1
262 1 60 VAL HB 1 61 ALA H . . 3.950 3.727 2.359 4.004 0.054 14 0 "[ . 1 .]" 1
263 1 60 VAL HB 1 64 ASP HB3 . . 4.890 4.491 3.099 4.911 0.021 14 0 "[ . 1 .]" 1
264 1 60 VAL HB 1 65 MET H . . 5.500 4.569 3.582 5.548 0.048 15 0 "[ . 1 .]" 1
265 1 60 VAL QG 1 61 ALA H . . 3.350 2.365 2.098 3.250 . 0 0 "[ . 1 .]" 1
266 1 60 VAL QG 1 64 ASP H . . 4.110 4.000 3.724 4.914 0.804 5 2 "[- + 1 .]" 1
267 1 60 VAL QG 1 64 ASP HB3 . . 3.420 2.284 2.001 3.791 0.371 5 0 "[ . 1 .]" 1
268 1 60 VAL QG 1 65 MET H . . 3.660 2.490 2.182 3.352 . 0 0 "[ . 1 .]" 1
269 1 60 VAL QG 1 65 MET ME . . 3.330 3.416 2.842 4.055 0.725 7 5 "[ . + **-* .]" 1
270 1 60 VAL QG 1 65 MET QG . . 3.630 2.994 2.094 3.418 . 0 0 "[ . 1 .]" 1
271 1 60 VAL MG1 1 61 ALA H . . 4.180 3.056 2.137 4.047 . 0 0 "[ . 1 .]" 1
272 1 60 VAL MG1 1 65 MET H . . 4.680 3.091 2.185 4.705 0.025 5 0 "[ . 1 .]" 1
273 1 60 VAL MG1 1 65 MET QG . . 4.670 3.370 2.585 4.697 0.027 5 0 "[ . 1 .]" 1
274 1 60 VAL MG2 1 61 ALA H . . 4.180 3.216 2.114 4.088 . 0 0 "[ . 1 .]" 1
275 1 60 VAL MG2 1 65 MET H . . 4.680 3.696 2.475 4.751 0.071 10 0 "[ . 1 .]" 1
276 1 60 VAL MG2 1 65 MET QG . . 4.670 3.914 2.100 4.700 0.030 6 0 "[ . 1 .]" 1
277 1 61 ALA H 1 61 ALA MB . . 2.720 2.250 2.116 2.341 . 0 0 "[ . 1 .]" 1
278 1 61 ALA H 1 64 ASP H . . 4.760 4.415 4.165 4.521 . 0 0 "[ . 1 .]" 1
279 1 61 ALA H 1 64 ASP HA . . 5.500 5.549 5.498 5.603 0.103 13 0 "[ . 1 .]" 1
280 1 61 ALA H 1 64 ASP HB2 . . 4.830 2.939 2.769 3.174 . 0 0 "[ . 1 .]" 1
281 1 61 ALA H 1 64 ASP HB3 . . 4.170 2.923 2.688 3.038 . 0 0 "[ . 1 .]" 1
282 1 61 ALA H 1 68 ILE MD . . 5.500 5.340 5.074 5.525 0.025 12 0 "[ . 1 .]" 1
283 1 61 ALA HA 1 62 GLU H . . 2.850 2.326 2.274 2.382 . 0 0 "[ . 1 .]" 1
284 1 61 ALA HA 1 62 GLU HA . . 4.400 4.210 4.130 4.296 . 0 0 "[ . 1 .]" 1
285 1 61 ALA HA 1 64 ASP HB2 . . 4.740 4.226 3.970 4.643 . 0 0 "[ . 1 .]" 1
286 1 61 ALA HA 1 64 ASP HB3 . . 4.930 5.055 4.963 5.123 0.193 4 0 "[ . 1 .]" 1
287 1 61 ALA HA 1 65 MET H . . 5.100 4.985 4.805 5.117 0.017 1 0 "[ . 1 .]" 1
288 1 61 ALA MB 1 62 GLU H . . 3.760 2.638 2.478 2.843 . 0 0 "[ . 1 .]" 1
289 1 61 ALA MB 1 63 ASN H . . 4.390 3.472 3.149 3.748 . 0 0 "[ . 1 .]" 1
290 1 61 ALA MB 1 63 ASN QB . . 4.120 4.049 3.623 4.162 0.042 12 0 "[ . 1 .]" 1
291 1 61 ALA MB 1 64 ASP H . . 3.430 3.041 2.732 3.209 . 0 0 "[ . 1 .]" 1
292 1 61 ALA MB 1 64 ASP HB2 . . 4.560 2.082 2.038 2.146 . 0 0 "[ . 1 .]" 1
293 1 61 ALA MB 1 64 ASP HB3 . . 3.320 3.219 3.068 3.333 0.013 8 0 "[ . 1 .]" 1
294 1 62 GLU H 1 62 GLU HB2 . . 3.620 2.426 2.303 2.566 . 0 0 "[ . 1 .]" 1
295 1 62 GLU H 1 62 GLU HB3 . . 3.920 2.537 2.327 2.693 . 0 0 "[ . 1 .]" 1
296 1 62 GLU H 1 62 GLU QG . . 4.930 3.994 3.953 4.061 . 0 0 "[ . 1 .]" 1
297 1 62 GLU H 1 64 ASP H . . 4.590 3.971 3.824 4.160 . 0 0 "[ . 1 .]" 1
298 1 62 GLU H 1 64 ASP HB2 . . 5.290 4.623 4.329 5.108 . 0 0 "[ . 1 .]" 1
299 1 62 GLU H 1 65 MET H . . 5.120 4.887 4.794 5.088 . 0 0 "[ . 1 .]" 1
300 1 62 GLU HA 1 62 GLU HG2 . . 3.590 3.276 2.771 3.692 0.102 4 0 "[ . 1 .]" 1
301 1 62 GLU HA 1 62 GLU QG . . 3.100 2.526 2.302 2.767 . 0 0 "[ . 1 .]" 1
302 1 62 GLU HA 1 62 GLU HG3 . . 3.590 2.647 2.365 3.006 . 0 0 "[ . 1 .]" 1
303 1 62 GLU HA 1 64 ASP H . . 4.440 4.150 3.877 4.429 . 0 0 "[ . 1 .]" 1
304 1 62 GLU HA 1 65 MET H . . 4.170 3.810 3.606 4.175 0.005 7 0 "[ . 1 .]" 1
305 1 62 GLU HA 1 65 MET QG . . 4.020 2.526 2.162 3.042 . 0 0 "[ . 1 .]" 1
306 1 62 GLU HB3 1 63 ASN H . . 4.120 2.505 2.354 2.819 . 0 0 "[ . 1 .]" 1
307 1 62 GLU HB3 1 63 ASN QB . . 4.290 4.121 3.777 4.327 0.037 8 0 "[ . 1 .]" 1
308 1 62 GLU QG 1 63 ASN H . . 3.860 3.502 3.048 3.860 0.000 1 0 "[ . 1 .]" 1
309 1 62 GLU QG 1 63 ASN HA . . 4.040 3.777 3.464 4.037 . 0 0 "[ . 1 .]" 1
310 1 62 GLU QG 1 66 LEU QD . . 3.560 3.303 2.368 4.009 0.449 4 0 "[ . 1 .]" 1
311 1 63 ASN H 1 63 ASN QB . . 3.400 2.252 2.180 2.424 . 0 0 "[ . 1 .]" 1
312 1 63 ASN H 1 64 ASP H . . 3.990 2.591 2.446 2.709 . 0 0 "[ . 1 .]" 1
313 1 63 ASN H 1 64 ASP HA . . 5.500 5.249 5.093 5.357 . 0 0 "[ . 1 .]" 1
314 1 63 ASN H 1 65 MET H . . 4.810 4.588 4.261 4.771 . 0 0 "[ . 1 .]" 1
315 1 63 ASN HA 1 66 LEU H . . 3.710 3.380 3.020 3.689 . 0 0 "[ . 1 .]" 1
316 1 63 ASN HA 1 66 LEU QB . . 3.240 2.287 2.099 2.700 . 0 0 "[ . 1 .]" 1
317 1 63 ASN HA 1 66 LEU QD . . 2.980 2.684 2.232 4.010 1.030 15 1 "[ . 1 +]" 1
318 1 63 ASN HA 1 66 LEU HG . . 4.300 4.177 3.591 4.344 0.044 2 0 "[ . 1 .]" 1
319 1 63 ASN HA 1 67 LEU H . . 4.960 4.300 4.094 4.697 . 0 0 "[ . 1 .]" 1
320 1 63 ASN QB 1 64 ASP H . . 3.710 3.046 2.903 3.284 . 0 0 "[ . 1 .]" 1
321 1 63 ASN QB 1 64 ASP HB2 . . 4.520 4.368 4.079 4.561 0.041 14 0 "[ . 1 .]" 1
322 1 63 ASN QB 1 65 MET H . . 5.430 5.280 5.091 5.443 0.013 10 0 "[ . 1 .]" 1
323 1 63 ASN QB 1 66 LEU H . . 5.470 4.902 4.534 5.324 . 0 0 "[ . 1 .]" 1
324 1 63 ASN QB 1 66 LEU QD . . 4.780 3.982 3.541 5.253 0.473 15 0 "[ . 1 .]" 1
325 1 63 ASN QD 1 66 LEU QB . . 4.370 3.878 3.425 4.387 0.017 1 0 "[ . 1 .]" 1
326 1 63 ASN QD 1 66 LEU QD . . 4.100 3.130 2.334 4.729 0.629 15 1 "[ . 1 +]" 1
327 1 64 ASP H 1 64 ASP HB2 . . 3.860 2.024 1.953 2.154 . 0 0 "[ . 1 .]" 1
328 1 64 ASP H 1 64 ASP HB3 . . 3.950 3.178 2.949 3.329 . 0 0 "[ . 1 .]" 1
329 1 64 ASP H 1 65 MET H . . 3.530 2.670 2.459 2.825 . 0 0 "[ . 1 .]" 1
330 1 64 ASP H 1 65 MET QG . . 5.080 4.178 3.954 4.407 . 0 0 "[ . 1 .]" 1
331 1 64 ASP H 1 66 LEU QD . . 5.440 5.188 4.849 5.445 0.005 9 0 "[ . 1 .]" 1
332 1 64 ASP H 1 67 LEU MD2 . . 5.500 4.870 4.784 4.973 . 0 0 "[ . 1 .]" 1
333 1 64 ASP H 1 68 ILE MD . . 5.500 5.477 5.262 5.531 0.031 13 0 "[ . 1 .]" 1
334 1 64 ASP H 1 92 ILE MG . . 5.500 5.512 5.402 5.595 0.095 4 0 "[ . 1 .]" 1
335 1 64 ASP HA 1 67 LEU H . . 4.010 3.567 3.386 3.782 . 0 0 "[ . 1 .]" 1
336 1 64 ASP HA 1 67 LEU HB3 . . 3.890 2.844 2.582 3.340 . 0 0 "[ . 1 .]" 1
337 1 64 ASP HA 1 67 LEU MD2 . . 3.060 2.241 2.170 2.347 . 0 0 "[ . 1 .]" 1
338 1 64 ASP HA 1 67 LEU HG . . 4.360 3.782 3.564 4.025 . 0 0 "[ . 1 .]" 1
339 1 64 ASP HA 1 68 ILE MD . . 4.820 4.321 4.202 4.529 . 0 0 "[ . 1 .]" 1
340 1 64 ASP HA 1 92 ILE MD . . 4.650 4.321 3.474 4.666 0.016 14 0 "[ . 1 .]" 1
341 1 64 ASP HA 1 92 ILE MG . . 4.710 4.057 3.668 4.345 . 0 0 "[ . 1 .]" 1
342 1 64 ASP HB2 1 65 MET H . . 4.720 3.058 2.741 3.447 . 0 0 "[ . 1 .]" 1
343 1 64 ASP HB2 1 67 LEU MD2 . . 5.210 4.628 4.498 4.792 . 0 0 "[ . 1 .]" 1
344 1 64 ASP HB2 1 92 ILE MG . . 4.300 4.263 4.087 4.345 0.045 13 0 "[ . 1 .]" 1
345 1 64 ASP HB3 1 65 MET H . . 4.040 2.786 2.477 3.019 . 0 0 "[ . 1 .]" 1
346 1 64 ASP HB3 1 66 LEU H . . 5.500 4.954 4.778 5.091 . 0 0 "[ . 1 .]" 1
347 1 64 ASP HB3 1 67 LEU MD2 . . 5.120 4.205 3.981 4.412 . 0 0 "[ . 1 .]" 1
348 1 64 ASP HB3 1 68 ILE MD . . 4.450 3.584 3.365 3.792 . 0 0 "[ . 1 .]" 1
349 1 64 ASP HB3 1 92 ILE MD . . 5.240 4.640 3.430 5.249 0.009 2 0 "[ . 1 .]" 1
350 1 64 ASP HB3 1 92 ILE MG . . 3.740 3.050 2.758 3.335 . 0 0 "[ . 1 .]" 1
351 1 65 MET H 1 65 MET QB . . 3.680 2.445 2.257 2.652 . 0 0 "[ . 1 .]" 1
352 1 65 MET H 1 65 MET QG . . 3.870 2.392 2.187 2.709 . 0 0 "[ . 1 .]" 1
353 1 65 MET H 1 68 ILE MD . . 4.540 3.738 3.618 3.892 . 0 0 "[ . 1 .]" 1
354 1 65 MET HA 1 65 MET QB . . 2.640 2.114 2.088 2.129 . 0 0 "[ . 1 .]" 1
355 1 65 MET HA 1 65 MET ME . . 4.740 4.057 3.877 4.212 . 0 0 "[ . 1 .]" 1
356 1 65 MET HA 1 65 MET QG . . 3.940 3.419 3.334 3.500 . 0 0 "[ . 1 .]" 1
357 1 65 MET HA 1 67 LEU H . . 5.380 4.051 3.514 4.350 . 0 0 "[ . 1 .]" 1
358 1 65 MET HA 1 68 ILE H . . 4.300 2.882 2.653 3.063 . 0 0 "[ . 1 .]" 1
359 1 65 MET HA 1 68 ILE HA . . 5.500 4.866 4.665 5.096 . 0 0 "[ . 1 .]" 1
360 1 65 MET HA 1 68 ILE HB . . 4.150 2.232 2.075 2.488 . 0 0 "[ . 1 .]" 1
361 1 65 MET HA 1 68 ILE MD . . 3.480 2.011 1.957 2.063 . 0 0 "[ . 1 .]" 1
362 1 65 MET ME 1 65 MET QG . . 3.170 2.406 2.331 2.538 . 0 0 "[ . 1 .]" 1
363 1 65 MET ME 1 68 ILE MD . . 4.390 4.390 4.165 4.440 0.050 13 0 "[ . 1 .]" 1
364 1 65 MET ME 1 69 ASN H . . 5.010 4.964 4.681 5.052 0.042 15 0 "[ . 1 .]" 1
365 1 65 MET ME 1 69 ASN HB2 . . 5.120 5.039 4.731 5.165 0.045 14 0 "[ . 1 .]" 1
366 1 65 MET ME 1 69 ASN HD21 . . 4.140 3.151 2.835 3.314 . 0 0 "[ . 1 .]" 1
367 1 65 MET ME 1 69 ASN QD . . 3.550 2.444 2.110 2.715 . 0 0 "[ . 1 .]" 1
368 1 65 MET ME 1 69 ASN HD22 . . 4.140 2.553 2.176 2.916 . 0 0 "[ . 1 .]" 1
369 1 65 MET QG 1 66 LEU H . . 4.530 2.966 2.759 3.296 . 0 0 "[ . 1 .]" 1
370 1 65 MET QG 1 66 LEU QB . . 4.490 3.902 3.379 4.501 0.011 3 0 "[ . 1 .]" 1
371 1 65 MET QG 1 66 LEU QD . . 4.440 4.149 2.174 4.858 0.418 4 0 "[ . 1 .]" 1
372 1 65 MET QG 1 68 ILE MD . . 4.560 4.479 4.316 4.582 0.022 7 0 "[ . 1 .]" 1
373 1 65 MET QG 1 69 ASN HD21 . . 5.140 3.948 3.351 4.581 . 0 0 "[ . 1 .]" 1
374 1 65 MET QG 1 69 ASN QD . . 4.460 3.692 3.152 4.150 . 0 0 "[ . 1 .]" 1
375 1 65 MET QG 1 69 ASN HD22 . . 5.140 4.465 3.833 4.920 . 0 0 "[ . 1 .]" 1
376 1 66 LEU H 1 66 LEU HB2 . . 3.930 2.508 2.182 2.813 . 0 0 "[ . 1 .]" 1
377 1 66 LEU H 1 66 LEU QB . . 3.420 2.238 2.160 2.341 . 0 0 "[ . 1 .]" 1
378 1 66 LEU H 1 66 LEU HB3 . . 3.930 2.872 2.293 3.634 . 0 0 "[ . 1 .]" 1
379 1 66 LEU H 1 66 LEU MD1 . . 4.360 4.083 3.676 4.335 . 0 0 "[ . 1 .]" 1
380 1 66 LEU H 1 66 LEU QD . . 3.790 3.607 2.773 3.820 0.030 9 0 "[ . 1 .]" 1
381 1 66 LEU H 1 66 LEU MD2 . . 4.360 4.093 2.810 4.338 . 0 0 "[ . 1 .]" 1
382 1 66 LEU H 1 66 LEU HG . . 4.520 3.926 2.966 4.471 . 0 0 "[ . 1 .]" 1
383 1 66 LEU H 1 67 LEU H . . 3.800 2.366 2.201 2.517 . 0 0 "[ . 1 .]" 1
384 1 66 LEU H 1 67 LEU HG . . 5.050 5.151 5.095 5.178 0.128 2 0 "[ . 1 .]" 1
385 1 66 LEU HA 1 66 LEU MD1 . . 3.950 2.865 2.160 3.861 . 0 0 "[ . 1 .]" 1
386 1 66 LEU HA 1 66 LEU QD . . 2.740 2.187 1.985 2.590 . 0 0 "[ . 1 .]" 1
387 1 66 LEU HA 1 66 LEU MD2 . . 3.950 3.118 2.119 3.947 . 0 0 "[ . 1 .]" 1
388 1 66 LEU HA 1 68 ILE H . . 5.090 4.386 4.206 4.559 . 0 0 "[ . 1 .]" 1
389 1 66 LEU HA 1 69 ASN H . . 4.140 3.300 2.933 3.652 . 0 0 "[ . 1 .]" 1
390 1 66 LEU HA 1 69 ASN HB2 . . 3.600 2.582 2.307 2.885 . 0 0 "[ . 1 .]" 1
391 1 66 LEU HA 1 69 ASN QD . . 4.690 3.239 3.043 3.410 . 0 0 "[ . 1 .]" 1
392 1 66 LEU QB 1 66 LEU QD . . 2.730 1.958 1.934 2.088 . 0 0 "[ . 1 .]" 1
393 1 66 LEU QB 1 67 LEU H . . 3.560 2.800 2.524 3.078 . 0 0 "[ . 1 .]" 1
394 1 66 LEU HB2 1 67 LEU H . . 4.350 3.608 2.939 4.166 . 0 0 "[ . 1 .]" 1
395 1 66 LEU HB3 1 67 LEU H . . 4.350 3.137 2.565 3.858 . 0 0 "[ . 1 .]" 1
396 1 66 LEU QD 1 69 ASN H . . 4.970 4.530 4.150 4.817 . 0 0 "[ . 1 .]" 1
397 1 66 LEU QD 1 69 ASN HB2 . . 4.330 3.210 2.839 3.631 . 0 0 "[ . 1 .]" 1
398 1 66 LEU QD 1 69 ASN HB3 . . 4.350 4.037 3.749 4.409 0.059 2 0 "[ . 1 .]" 1
399 1 66 LEU QD 1 69 ASN QD . . 4.070 4.120 3.276 4.847 0.777 4 1 "[ +. 1 .]" 1
400 1 66 LEU QD 1 70 ALA H . . 4.530 4.334 3.413 4.682 0.152 5 0 "[ . 1 .]" 1
401 1 66 LEU QD 1 70 ALA MB . . 4.050 3.994 2.737 4.491 0.441 5 0 "[ . 1 .]" 1
402 1 66 LEU HG 1 67 LEU H . . 5.500 4.385 3.626 5.282 . 0 0 "[ . 1 .]" 1
403 1 67 LEU H 1 67 LEU HB3 . . 3.670 1.927 1.822 2.211 . 0 0 "[ . 1 .]" 1
404 1 67 LEU H 1 67 LEU MD1 . . 4.140 4.213 4.177 4.243 0.103 4 0 "[ . 1 .]" 1
405 1 67 LEU H 1 67 LEU MD2 . . 3.810 3.703 3.474 3.766 . 0 0 "[ . 1 .]" 1
406 1 67 LEU H 1 67 LEU HG . . 3.430 3.398 3.029 3.501 0.071 3 0 "[ . 1 .]" 1
407 1 67 LEU H 1 68 ILE H . . 3.870 2.613 2.347 2.762 . 0 0 "[ . 1 .]" 1
408 1 67 LEU H 1 68 ILE HB . . 5.080 4.645 4.291 4.819 . 0 0 "[ . 1 .]" 1
409 1 67 LEU H 1 69 ASN H . . 4.690 4.272 4.092 4.446 . 0 0 "[ . 1 .]" 1
410 1 67 LEU HA 1 67 LEU MD1 . . 3.570 3.023 2.824 3.347 . 0 0 "[ . 1 .]" 1
411 1 67 LEU HA 1 67 LEU HG . . 4.210 3.735 3.639 3.816 . 0 0 "[ . 1 .]" 1
412 1 67 LEU HA 1 70 ALA H . . 4.040 3.658 3.440 3.900 . 0 0 "[ . 1 .]" 1
413 1 67 LEU HA 1 70 ALA MB . . 3.070 2.653 2.362 2.888 . 0 0 "[ . 1 .]" 1
414 1 67 LEU HB2 1 67 LEU MD1 . . 2.870 2.329 2.279 2.404 . 0 0 "[ . 1 .]" 1
415 1 67 LEU HB3 1 67 LEU MD2 . . 3.200 2.239 2.192 2.265 . 0 0 "[ . 1 .]" 1
416 1 67 LEU HB3 1 68 ILE H . . 4.060 3.216 3.057 3.537 . 0 0 "[ . 1 .]" 1
417 1 67 LEU HB3 1 68 ILE MD . . 4.790 4.833 4.815 4.843 0.053 1 0 "[ . 1 .]" 1
418 1 67 LEU MD1 1 68 ILE H . . 3.980 3.503 3.330 3.713 . 0 0 "[ . 1 .]" 1
419 1 67 LEU MD2 1 68 ILE H . . 4.470 3.867 3.800 3.923 . 0 0 "[ . 1 .]" 1
420 1 67 LEU MD2 1 68 ILE HA . . 4.910 4.934 4.877 4.973 0.063 12 0 "[ . 1 .]" 1
421 1 67 LEU HG 1 68 ILE H . . 4.690 2.370 2.218 2.498 . 0 0 "[ . 1 .]" 1
422 1 67 LEU HG 1 68 ILE HA . . 4.120 3.550 3.474 3.629 . 0 0 "[ . 1 .]" 1
423 1 68 ILE H 1 68 ILE HB . . 3.960 2.386 2.305 2.473 . 0 0 "[ . 1 .]" 1
424 1 68 ILE H 1 68 ILE MD . . 3.880 3.070 2.852 3.180 . 0 0 "[ . 1 .]" 1
425 1 68 ILE H 1 68 ILE QG . . 3.520 2.471 2.324 2.590 . 0 0 "[ . 1 .]" 1
426 1 68 ILE H 1 68 ILE MG . . 4.580 3.762 3.722 3.798 . 0 0 "[ . 1 .]" 1
427 1 68 ILE H 1 69 ASN H . . 3.870 2.921 2.784 3.004 . 0 0 "[ . 1 .]" 1
428 1 68 ILE HA 1 68 ILE MD . . 4.050 3.830 3.796 3.875 . 0 0 "[ . 1 .]" 1
429 1 68 ILE HA 1 70 ALA MB . . 4.950 4.745 4.663 4.844 . 0 0 "[ . 1 .]" 1
430 1 68 ILE HA 1 71 ASP HB2 . . 4.550 2.599 2.301 2.886 . 0 0 "[ . 1 .]" 1
431 1 68 ILE HA 1 71 ASP QB . . 4.000 2.574 2.286 2.849 . 0 0 "[ . 1 .]" 1
432 1 68 ILE HA 1 71 ASP HB3 . . 4.550 4.164 3.912 4.432 . 0 0 "[ . 1 .]" 1
433 1 68 ILE HA 1 85 PHE QD . . 4.560 4.263 3.878 4.540 . 0 0 "[ . 1 .]" 1
434 1 68 ILE HB 1 68 ILE MD . . 3.060 2.257 2.182 2.326 . 0 0 "[ . 1 .]" 1
435 1 68 ILE HB 1 69 ASN H . . 3.890 2.630 2.490 2.741 . 0 0 "[ . 1 .]" 1
436 1 68 ILE HB 1 69 ASN HB2 . . 5.500 4.774 4.636 4.923 . 0 0 "[ . 1 .]" 1
437 1 68 ILE MD 1 68 ILE MG . . 3.240 2.319 2.222 2.489 . 0 0 "[ . 1 .]" 1
438 1 68 ILE MD 1 69 ASN H . . 4.480 4.411 4.255 4.487 0.007 1 0 "[ . 1 .]" 1
439 1 68 ILE MD 1 69 ASN HD21 . . 5.500 4.789 4.537 4.915 . 0 0 "[ . 1 .]" 1
440 1 68 ILE MD 1 69 ASN HD22 . . 5.500 5.534 5.478 5.572 0.072 5 0 "[ . 1 .]" 1
441 1 68 ILE MD 1 89 LEU HA . . 4.430 3.747 3.306 4.069 . 0 0 "[ . 1 .]" 1
442 1 68 ILE QG 1 69 ASN H . . 4.840 4.343 4.274 4.395 . 0 0 "[ . 1 .]" 1
443 1 68 ILE QG 1 85 PHE QD . . 5.340 4.638 4.091 4.983 . 0 0 "[ . 1 .]" 1
444 1 68 ILE QG 1 89 LEU HA . . 4.950 3.121 2.680 3.481 . 0 0 "[ . 1 .]" 1
445 1 68 ILE HG12 1 69 ASN H . . 5.500 5.202 5.108 5.273 . 0 0 "[ . 1 .]" 1
446 1 68 ILE HG13 1 69 ASN H . . 5.500 4.654 4.584 4.706 . 0 0 "[ . 1 .]" 1
447 1 68 ILE MG 1 69 ASN H . . 4.520 3.067 2.951 3.203 . 0 0 "[ . 1 .]" 1
448 1 68 ILE MG 1 69 ASN HA . . 4.730 3.247 3.134 3.371 . 0 0 "[ . 1 .]" 1
449 1 68 ILE MG 1 69 ASN HB3 . . 5.330 5.219 5.081 5.339 0.009 14 0 "[ . 1 .]" 1
450 1 68 ILE MG 1 70 ALA MB . . 5.500 5.572 5.559 5.589 0.089 15 0 "[ . 1 .]" 1
451 1 68 ILE MG 1 72 TYR QB . . 5.360 3.234 3.007 3.466 . 0 0 "[ . 1 .]" 1
452 1 68 ILE MG 1 85 PHE QD . . 4.740 3.552 3.184 3.888 . 0 0 "[ . 1 .]" 1
453 1 68 ILE MG 1 85 PHE QE . . 4.990 2.735 2.294 3.296 . 0 0 "[ . 1 .]" 1
454 1 68 ILE MG 1 89 LEU MD1 . . 4.080 2.396 2.078 4.093 0.013 5 0 "[ . 1 .]" 1
455 1 68 ILE MG 1 89 LEU QD . . 3.410 2.228 2.066 2.793 . 0 0 "[ . 1 .]" 1
456 1 68 ILE MG 1 89 LEU MD2 . . 4.080 3.577 2.127 4.094 0.014 15 0 "[ . 1 .]" 1
457 1 69 ASN H 1 69 ASN HB2 . . 3.560 2.290 2.228 2.364 . 0 0 "[ . 1 .]" 1
458 1 69 ASN H 1 69 ASN HB3 . . 3.640 3.558 3.527 3.598 . 0 0 "[ . 1 .]" 1
459 1 69 ASN H 1 70 ALA H . . 3.840 2.824 2.734 2.889 . 0 0 "[ . 1 .]" 1
460 1 69 ASN H 1 70 ALA HA . . 5.490 5.462 5.412 5.496 0.006 5 0 "[ . 1 .]" 1
461 1 69 ASN H 1 70 ALA MB . . 4.540 4.344 4.277 4.385 . 0 0 "[ . 1 .]" 1
462 1 69 ASN HA 1 69 ASN QD . . 4.060 3.324 2.888 3.444 . 0 0 "[ . 1 .]" 1
463 1 69 ASN HA 1 72 TYR H . . 4.100 3.515 3.318 3.848 . 0 0 "[ . 1 .]" 1
464 1 69 ASN HA 1 72 TYR QB . . 3.370 2.503 2.263 2.959 . 0 0 "[ . 1 .]" 1
465 1 69 ASN HA 1 72 TYR QD . . 5.050 3.829 3.336 4.558 . 0 0 "[ . 1 .]" 1
466 1 69 ASN HB2 1 70 ALA H . . 4.060 2.913 2.713 3.080 . 0 0 "[ . 1 .]" 1
467 1 69 ASN HB2 1 70 ALA MB . . 4.260 4.237 4.042 4.293 0.033 14 0 "[ . 1 .]" 1
468 1 69 ASN HB3 1 70 ALA H . . 3.760 3.463 3.225 3.678 . 0 0 "[ . 1 .]" 1
469 1 69 ASN HB3 1 70 ALA HA . . 4.380 4.339 4.084 4.408 0.028 1 0 "[ . 1 .]" 1
470 1 69 ASN HB3 1 70 ALA MB . . 4.690 4.535 4.275 4.657 . 0 0 "[ . 1 .]" 1
471 1 69 ASN HB3 1 72 TYR QB . . 5.010 4.541 4.304 4.867 . 0 0 "[ . 1 .]" 1
472 1 70 ALA H 1 70 ALA MB . . 2.820 2.125 2.087 2.173 . 0 0 "[ . 1 .]" 1
473 1 70 ALA H 1 71 ASP H . . 3.640 2.746 2.535 2.835 . 0 0 "[ . 1 .]" 1
474 1 70 ALA H 1 72 TYR QB . . 4.780 4.773 4.622 4.851 0.071 12 0 "[ . 1 .]" 1
475 1 70 ALA HA 1 72 TYR H . . 4.850 4.513 4.319 4.690 . 0 0 "[ . 1 .]" 1
476 1 70 ALA HA 1 72 TYR QB . . 5.150 5.027 4.887 5.156 0.006 4 0 "[ . 1 .]" 1
477 1 70 ALA HA 1 73 GLN H . . 4.050 3.444 3.299 3.626 . 0 0 "[ . 1 .]" 1
478 1 70 ALA HA 1 73 GLN QB . . 3.250 2.608 2.434 2.811 . 0 0 "[ . 1 .]" 1
479 1 70 ALA HA 1 73 GLN HG3 . . 3.720 3.675 3.277 3.804 0.084 14 0 "[ . 1 .]" 1
480 1 70 ALA HA 1 74 GLN H . . 4.550 4.199 3.948 4.376 . 0 0 "[ . 1 .]" 1
481 1 70 ALA MB 1 71 ASP H . . 3.250 2.447 2.359 2.539 . 0 0 "[ . 1 .]" 1
482 1 70 ALA MB 1 71 ASP HA . . 3.870 3.923 3.882 3.953 0.083 13 0 "[ . 1 .]" 1
483 1 70 ALA MB 1 71 ASP QB . . 4.190 4.103 3.957 4.229 0.039 8 0 "[ . 1 .]" 1
484 1 70 ALA MB 1 72 TYR H . . 4.550 4.494 4.401 4.557 0.007 14 0 "[ . 1 .]" 1
485 1 70 ALA MB 1 73 GLN QB . . 4.340 4.078 3.955 4.255 . 0 0 "[ . 1 .]" 1
486 1 70 ALA MB 1 73 GLN HG3 . . 5.160 5.056 4.700 5.180 0.020 14 0 "[ . 1 .]" 1
487 1 70 ALA MB 1 74 GLN H . . 5.030 4.749 4.513 4.969 . 0 0 "[ . 1 .]" 1
488 1 70 ALA MB 1 74 GLN HE21 . . 4.660 3.425 2.886 4.495 . 0 0 "[ . 1 .]" 1
489 1 70 ALA MB 1 74 GLN QE . . 3.900 3.206 2.667 3.932 0.032 6 0 "[ . 1 .]" 1
490 1 70 ALA MB 1 74 GLN HE22 . . 4.660 3.910 3.137 4.707 0.047 4 0 "[ . 1 .]" 1
491 1 71 ASP H 1 71 ASP HB2 . . 4.040 2.275 2.200 2.366 . 0 0 "[ . 1 .]" 1
492 1 71 ASP H 1 71 ASP QB . . 3.420 2.250 2.178 2.334 . 0 0 "[ . 1 .]" 1
493 1 71 ASP H 1 71 ASP HB3 . . 4.040 3.544 3.502 3.576 . 0 0 "[ . 1 .]" 1
494 1 71 ASP H 1 72 TYR H . . 3.830 2.684 2.596 2.822 . 0 0 "[ . 1 .]" 1
495 1 71 ASP H 1 85 PHE QD . . 5.500 5.318 4.958 5.525 0.025 3 0 "[ . 1 .]" 1
496 1 71 ASP HA 1 74 GLN H . . 4.430 3.507 3.260 3.697 . 0 0 "[ . 1 .]" 1
497 1 71 ASP HA 1 74 GLN QB . . 4.550 4.000 3.718 4.187 . 0 0 "[ . 1 .]" 1
498 1 71 ASP HA 1 74 GLN QE . . 3.730 2.393 2.036 2.991 . 0 0 "[ . 1 .]" 1
499 1 71 ASP HA 1 74 GLN HG2 . . 3.790 2.235 2.098 2.372 . 0 0 "[ . 1 .]" 1
500 1 71 ASP HA 1 74 GLN HG3 . . 3.960 3.620 3.260 3.857 . 0 0 "[ . 1 .]" 1
501 1 71 ASP HA 1 80 MET ME . . 3.330 2.698 2.340 2.874 . 0 0 "[ . 1 .]" 1
502 1 71 ASP HA 1 88 LYS QE . . 5.500 5.358 4.727 5.563 0.063 15 0 "[ . 1 .]" 1
503 1 71 ASP QB 1 72 TYR H . . 4.170 2.759 2.406 3.037 . 0 0 "[ . 1 .]" 1
504 1 71 ASP QB 1 80 MET ME . . 4.200 2.255 2.031 2.611 . 0 0 "[ . 1 .]" 1
505 1 71 ASP QB 1 85 PHE QD . . 3.460 2.826 2.268 3.230 . 0 0 "[ . 1 .]" 1
506 1 71 ASP QB 1 88 LYS QD . . 4.560 3.210 2.573 4.435 . 0 0 "[ . 1 .]" 1
507 1 71 ASP HB2 1 72 TYR H . . 4.990 2.892 2.472 3.210 . 0 0 "[ . 1 .]" 1
508 1 71 ASP HB2 1 85 PHE QD . . 4.090 3.447 2.904 3.835 . 0 0 "[ . 1 .]" 1
509 1 71 ASP HB3 1 72 TYR H . . 4.990 3.506 3.166 3.746 . 0 0 "[ . 1 .]" 1
510 1 71 ASP HB3 1 85 PHE QD . . 4.090 3.013 2.340 3.594 . 0 0 "[ . 1 .]" 1
511 1 72 TYR H 1 72 TYR QB . . 3.600 2.174 2.115 2.220 . 0 0 "[ . 1 .]" 1
512 1 72 TYR H 1 72 TYR QD . . 4.420 4.161 4.095 4.206 . 0 0 "[ . 1 .]" 1
513 1 72 TYR H 1 73 GLN H . . 3.890 2.799 2.717 2.890 . 0 0 "[ . 1 .]" 1
514 1 72 TYR H 1 80 MET ME . . 5.360 4.587 4.508 4.744 . 0 0 "[ . 1 .]" 1
515 1 72 TYR H 1 85 PHE QD . . 5.030 4.012 3.658 4.406 . 0 0 "[ . 1 .]" 1
516 1 72 TYR H 1 85 PHE QE . . 5.500 4.556 4.054 5.078 . 0 0 "[ . 1 .]" 1
517 1 72 TYR HA 1 72 TYR QD . . 3.560 2.758 2.504 2.945 . 0 0 "[ . 1 .]" 1
518 1 72 TYR HA 1 75 LEU H . . 4.210 3.496 3.345 3.719 . 0 0 "[ . 1 .]" 1
519 1 72 TYR HA 1 75 LEU HB2 . . 5.010 3.838 3.636 4.126 . 0 0 "[ . 1 .]" 1
520 1 72 TYR HA 1 75 LEU QD . . 4.340 2.629 2.233 2.864 . 0 0 "[ . 1 .]" 1
521 1 72 TYR HA 1 85 PHE QD . . 4.240 3.732 3.456 3.974 . 0 0 "[ . 1 .]" 1
522 1 72 TYR HA 1 85 PHE QE . . 4.770 4.055 3.825 4.446 . 0 0 "[ . 1 .]" 1
523 1 72 TYR QB 1 73 GLN H . . 3.730 2.577 2.446 2.715 . 0 0 "[ . 1 .]" 1
524 1 72 TYR QB 1 73 GLN QB . . 4.590 4.472 4.392 4.589 . 0 0 "[ . 1 .]" 1
525 1 72 TYR QB 1 75 LEU QD . . 5.440 3.857 3.529 4.063 . 0 0 "[ . 1 .]" 1
526 1 72 TYR QB 1 85 PHE QD . . 4.990 3.739 3.288 4.051 . 0 0 "[ . 1 .]" 1
527 1 72 TYR QB 1 85 PHE QE . . 5.170 3.051 2.615 3.471 . 0 0 "[ . 1 .]" 1
528 1 72 TYR QD 1 73 GLN H . . 4.090 3.366 3.184 3.524 . 0 0 "[ . 1 .]" 1
529 1 72 TYR QD 1 73 GLN HA . . 4.000 3.670 3.471 3.970 . 0 0 "[ . 1 .]" 1
530 1 72 TYR QD 1 73 GLN HG2 . . 4.970 2.898 2.535 3.229 . 0 0 "[ . 1 .]" 1
531 1 72 TYR QD 1 75 LEU HB3 . . 5.230 4.264 3.912 4.609 . 0 0 "[ . 1 .]" 1
532 1 72 TYR QD 1 75 LEU QD . . 3.470 2.584 2.346 2.863 . 0 0 "[ . 1 .]" 1
533 1 72 TYR QD 1 75 LEU HG . . 5.130 4.717 3.774 5.075 . 0 0 "[ . 1 .]" 1
534 1 72 TYR QD 1 76 ARG QD . . 4.810 3.334 2.917 3.823 . 0 0 "[ . 1 .]" 1
535 1 72 TYR QD 1 76 ARG QG . . 4.310 3.974 3.486 4.311 0.001 14 0 "[ . 1 .]" 1
536 1 72 TYR QD 1 82 ARG QG . . 5.370 5.132 4.612 5.407 0.037 7 0 "[ . 1 .]" 1
537 1 72 TYR QD 1 85 PHE QE . . 3.680 3.001 2.781 3.086 . 0 0 "[ . 1 .]" 1
538 1 72 TYR QD 1 85 PHE HZ . . 3.770 2.688 2.507 2.869 . 0 0 "[ . 1 .]" 1
539 1 72 TYR QD 1 89 LEU QD . . 5.350 4.814 4.700 5.236 . 0 0 "[ . 1 .]" 1
540 1 72 TYR QE 1 73 GLN H . . 5.500 5.469 5.283 5.543 0.043 7 0 "[ . 1 .]" 1
541 1 72 TYR QE 1 73 GLN HG2 . . 5.170 4.722 4.174 5.180 0.010 12 0 "[ . 1 .]" 1
542 1 72 TYR QE 1 75 LEU QD . . 3.520 3.026 2.579 3.389 . 0 0 "[ . 1 .]" 1
543 1 72 TYR QE 1 75 LEU HG . . 5.190 4.895 4.505 5.237 0.047 14 0 "[ . 1 .]" 1
544 1 72 TYR QE 1 76 ARG HD2 . . 4.120 2.544 2.133 2.938 . 0 0 "[ . 1 .]" 1
545 1 72 TYR QE 1 76 ARG QD . . 3.340 2.500 2.115 2.878 . 0 0 "[ . 1 .]" 1
546 1 72 TYR QE 1 76 ARG HD3 . . 4.120 3.772 3.503 4.119 . 0 0 "[ . 1 .]" 1
547 1 72 TYR QE 1 76 ARG QG . . 4.340 3.770 3.170 4.201 . 0 0 "[ . 1 .]" 1
548 1 72 TYR QE 1 82 ARG QG . . 5.400 4.872 4.034 5.426 0.026 15 0 "[ . 1 .]" 1
549 1 72 TYR QE 1 85 PHE QE . . 4.040 3.814 3.259 4.075 0.035 15 0 "[ . 1 .]" 1
550 1 72 TYR QE 1 85 PHE HZ . . 3.900 3.825 3.539 3.929 0.029 9 0 "[ . 1 .]" 1
551 1 73 GLN H 1 73 GLN QB . . 3.190 2.329 2.231 2.444 . 0 0 "[ . 1 .]" 1
552 1 73 GLN H 1 73 GLN HG2 . . 3.740 2.489 2.267 2.802 . 0 0 "[ . 1 .]" 1
553 1 73 GLN H 1 73 GLN HG3 . . 4.330 3.588 3.472 3.745 . 0 0 "[ . 1 .]" 1
554 1 73 GLN H 1 74 GLN H . . 3.740 2.895 2.828 3.007 . 0 0 "[ . 1 .]" 1
555 1 73 GLN HA 1 73 GLN HE21 . . 4.990 4.575 3.926 4.885 . 0 0 "[ . 1 .]" 1
556 1 73 GLN HA 1 73 GLN QE . . 4.300 4.065 3.534 4.299 . 0 0 "[ . 1 .]" 1
557 1 73 GLN HA 1 73 GLN HE22 . . 4.990 4.554 4.009 4.771 . 0 0 "[ . 1 .]" 1
558 1 73 GLN HA 1 73 GLN HG2 . . 3.410 2.813 2.579 2.983 . 0 0 "[ . 1 .]" 1
559 1 73 GLN HA 1 75 LEU H . . 5.130 4.311 4.134 4.452 . 0 0 "[ . 1 .]" 1
560 1 73 GLN HA 1 76 ARG H . . 3.860 3.242 2.976 3.543 . 0 0 "[ . 1 .]" 1
561 1 73 GLN HA 1 76 ARG QB . . 3.750 2.733 2.343 3.161 . 0 0 "[ . 1 .]" 1
562 1 73 GLN HA 1 76 ARG HD2 . . 3.990 3.649 2.935 3.841 . 0 0 "[ . 1 .]" 1
563 1 73 GLN HA 1 76 ARG HD3 . . 3.990 2.734 2.190 3.985 . 0 0 "[ . 1 .]" 1
564 1 73 GLN HA 1 76 ARG QG . . 3.780 3.013 2.486 3.404 . 0 0 "[ . 1 .]" 1
565 1 73 GLN HA 1 77 ASP H . . 5.390 4.356 3.905 4.742 . 0 0 "[ . 1 .]" 1
566 1 73 GLN QB 1 74 GLN H . . 3.840 2.849 2.656 2.988 . 0 0 "[ . 1 .]" 1
567 1 73 GLN QB 1 74 GLN HA . . 4.640 4.069 3.948 4.205 . 0 0 "[ . 1 .]" 1
568 1 73 GLN QB 1 75 LEU QD . . 5.440 6.010 5.646 6.135 0.695 3 11 "[**+*** * * *- *]" 1
569 1 73 GLN QB 1 76 ARG HD2 . . 5.500 5.451 4.839 5.547 0.047 8 0 "[ . 1 .]" 1
570 1 73 GLN QB 1 76 ARG QD . . 4.760 4.189 3.853 4.631 . 0 0 "[ . 1 .]" 1
571 1 73 GLN QB 1 76 ARG HD3 . . 5.500 4.403 3.975 5.526 0.026 2 0 "[ . 1 .]" 1
572 1 73 GLN QE 1 73 GLN HG2 . . 3.270 2.612 2.285 3.055 . 0 0 "[ . 1 .]" 1
573 1 73 GLN QE 1 76 ARG QD . . 4.490 3.582 2.564 4.348 . 0 0 "[ . 1 .]" 1
574 1 73 GLN HE22 1 73 GLN HG2 . . 3.820 3.691 3.545 3.881 0.061 13 0 "[ . 1 .]" 1
575 1 74 GLN H 1 74 GLN QB . . 3.680 2.526 2.376 2.693 . 0 0 "[ . 1 .]" 1
576 1 74 GLN H 1 74 GLN HG2 . . 3.500 2.323 2.036 2.545 . 0 0 "[ . 1 .]" 1
577 1 74 GLN H 1 74 GLN HG3 . . 3.720 3.650 3.347 3.766 0.046 14 0 "[ . 1 .]" 1
578 1 74 GLN H 1 75 LEU H . . 3.990 2.580 2.426 2.687 . 0 0 "[ . 1 .]" 1
579 1 74 GLN HA 1 74 GLN HG2 . . 3.980 3.744 3.686 3.843 . 0 0 "[ . 1 .]" 1
580 1 74 GLN HA 1 74 GLN HG3 . . 4.050 3.779 3.679 3.875 . 0 0 "[ . 1 .]" 1
581 1 74 GLN HA 1 76 ARG H . . 4.760 4.111 3.913 4.324 . 0 0 "[ . 1 .]" 1
582 1 74 GLN HA 1 77 ASP H . . 3.860 2.754 2.516 3.069 . 0 0 "[ . 1 .]" 1
583 1 74 GLN HA 1 77 ASP HA . . 5.500 4.795 4.576 5.194 . 0 0 "[ . 1 .]" 1
584 1 74 GLN HA 1 77 ASP HB2 . . 3.700 2.715 2.076 3.411 . 0 0 "[ . 1 .]" 1
585 1 74 GLN HA 1 77 ASP QB . . 2.960 2.218 2.058 2.686 . 0 0 "[ . 1 .]" 1
586 1 74 GLN HA 1 77 ASP HB3 . . 3.700 2.640 2.134 3.754 0.054 10 0 "[ . 1 .]" 1
587 1 74 GLN HA 1 79 LYS H . . 5.050 3.944 3.639 4.212 . 0 0 "[ . 1 .]" 1
588 1 74 GLN HA 1 79 LYS QB . . 3.640 3.408 3.128 3.655 0.015 9 0 "[ . 1 .]" 1
589 1 74 GLN QB 1 75 LEU H . . 3.720 3.750 3.693 3.793 0.073 6 0 "[ . 1 .]" 1
590 1 74 GLN HB2 1 75 LEU H . . 4.400 4.238 4.117 4.323 . 0 0 "[ . 1 .]" 1
591 1 74 GLN HB3 1 75 LEU H . . 4.400 4.184 4.099 4.291 . 0 0 "[ . 1 .]" 1
592 1 74 GLN HE21 1 80 MET ME . . 4.300 3.835 2.648 4.204 . 0 0 "[ . 1 .]" 1
593 1 74 GLN HE22 1 80 MET ME . . 4.300 4.078 3.296 4.306 0.006 11 0 "[ . 1 .]" 1
594 1 74 GLN HG2 1 75 LEU H . . 4.270 2.843 2.715 3.094 . 0 0 "[ . 1 .]" 1
595 1 74 GLN HG2 1 79 LYS QB . . 4.900 4.236 3.969 4.550 . 0 0 "[ . 1 .]" 1
596 1 74 GLN HG3 1 75 LEU H . . 3.980 3.277 2.694 3.552 . 0 0 "[ . 1 .]" 1
597 1 74 GLN HG3 1 79 LYS QB . . 3.940 2.879 2.541 3.394 . 0 0 "[ . 1 .]" 1
598 1 75 LEU H 1 75 LEU HB2 . . 4.000 3.069 2.876 3.275 . 0 0 "[ . 1 .]" 1
599 1 75 LEU H 1 75 LEU HB3 . . 3.820 2.135 2.085 2.203 . 0 0 "[ . 1 .]" 1
600 1 75 LEU H 1 75 LEU MD1 . . 4.580 4.367 3.745 4.464 . 0 0 "[ . 1 .]" 1
601 1 75 LEU H 1 75 LEU QD . . 3.980 3.733 3.532 3.790 . 0 0 "[ . 1 .]" 1
602 1 75 LEU H 1 75 LEU MD2 . . 4.580 4.074 3.914 4.326 . 0 0 "[ . 1 .]" 1
603 1 75 LEU H 1 75 LEU HG . . 4.350 4.061 3.786 4.399 0.049 7 0 "[ . 1 .]" 1
604 1 75 LEU H 1 76 ARG H . . 3.820 2.765 2.690 2.845 . 0 0 "[ . 1 .]" 1
605 1 75 LEU H 1 76 ARG QB . . 5.320 4.808 4.620 5.052 . 0 0 "[ . 1 .]" 1
606 1 75 LEU H 1 76 ARG QG . . 4.400 4.418 4.252 4.484 0.084 7 0 "[ . 1 .]" 1
607 1 75 LEU H 1 79 LYS QB . . 4.690 4.731 4.671 4.775 0.085 3 0 "[ . 1 .]" 1
608 1 75 LEU H 1 80 MET ME . . 4.150 3.537 3.391 3.983 . 0 0 "[ . 1 .]" 1
609 1 75 LEU H 1 80 MET QG . . 5.500 4.983 4.733 5.129 . 0 0 "[ . 1 .]" 1
610 1 75 LEU HA 1 75 LEU MD1 . . 4.270 2.763 2.523 3.650 . 0 0 "[ . 1 .]" 1
611 1 75 LEU HA 1 75 LEU QD . . 3.270 2.652 2.497 2.964 . 0 0 "[ . 1 .]" 1
612 1 75 LEU HA 1 75 LEU MD2 . . 4.270 3.951 2.585 4.123 . 0 0 "[ . 1 .]" 1
613 1 75 LEU HA 1 79 LYS H . . 4.430 3.881 3.575 4.088 . 0 0 "[ . 1 .]" 1
614 1 75 LEU HA 1 80 MET H . . 3.930 2.723 2.472 2.934 . 0 0 "[ . 1 .]" 1
615 1 75 LEU HA 1 80 MET HB2 . . 4.530 4.434 4.128 4.549 0.019 14 0 "[ . 1 .]" 1
616 1 75 LEU HA 1 80 MET HB3 . . 4.530 2.832 2.544 2.965 . 0 0 "[ . 1 .]" 1
617 1 75 LEU HA 1 80 MET QG . . 4.000 3.926 3.692 4.021 0.021 4 0 "[ . 1 .]" 1
618 1 75 LEU HA 1 81 THR H . . 4.990 5.020 4.886 5.109 0.119 7 0 "[ . 1 .]" 1
619 1 75 LEU HA 1 85 PHE QD . . 5.500 5.548 5.519 5.610 0.110 3 0 "[ . 1 .]" 1
620 1 75 LEU HB2 1 76 ARG H . . 5.150 4.123 4.067 4.205 . 0 0 "[ . 1 .]" 1
621 1 75 LEU HB2 1 82 ARG HA . . 3.680 3.631 3.076 3.744 0.064 6 0 "[ . 1 .]" 1
622 1 75 LEU HB2 1 85 PHE QB . . 4.770 3.061 2.827 3.412 . 0 0 "[ . 1 .]" 1
623 1 75 LEU HB2 1 85 PHE QD . . 4.570 3.481 3.356 3.580 . 0 0 "[ . 1 .]" 1
624 1 75 LEU HB3 1 80 MET ME . . 4.180 3.841 3.569 4.189 0.009 7 0 "[ . 1 .]" 1
625 1 75 LEU HB3 1 80 MET QG . . 5.090 4.721 4.302 5.091 0.001 15 0 "[ . 1 .]" 1
626 1 75 LEU QD 1 76 ARG H . . 4.820 3.401 2.551 3.551 . 0 0 "[ . 1 .]" 1
627 1 75 LEU QD 1 76 ARG HA . . 3.880 3.557 2.669 3.833 . 0 0 "[ . 1 .]" 1
628 1 75 LEU QD 1 76 ARG QD . . 4.940 4.342 4.033 4.733 . 0 0 "[ . 1 .]" 1
629 1 75 LEU QD 1 76 ARG QG . . 3.610 3.177 2.623 3.500 . 0 0 "[ . 1 .]" 1
630 1 75 LEU QD 1 80 MET H . . 4.750 4.379 4.051 4.867 0.117 11 0 "[ . 1 .]" 1
631 1 75 LEU QD 1 80 MET QB . . 4.580 4.167 3.865 4.505 . 0 0 "[ . 1 .]" 1
632 1 75 LEU QD 1 80 MET ME . . 5.010 4.195 3.944 4.717 . 0 0 "[ . 1 .]" 1
633 1 75 LEU QD 1 80 MET QG . . 4.390 3.930 3.714 4.213 . 0 0 "[ . 1 .]" 1
634 1 75 LEU QD 1 81 THR H . . 5.130 4.621 4.390 5.044 . 0 0 "[ . 1 .]" 1
635 1 75 LEU QD 1 81 THR HA . . 3.880 3.124 2.821 3.429 . 0 0 "[ . 1 .]" 1
636 1 75 LEU QD 1 82 ARG H . . 4.560 2.804 2.704 2.936 . 0 0 "[ . 1 .]" 1
637 1 75 LEU QD 1 82 ARG HA . . 3.200 2.118 2.003 2.330 . 0 0 "[ . 1 .]" 1
638 1 75 LEU QD 1 82 ARG QB . . 4.420 2.543 2.209 2.817 . 0 0 "[ . 1 .]" 1
639 1 75 LEU QD 1 82 ARG QD . . 4.930 3.957 3.523 4.416 . 0 0 "[ . 1 .]" 1
640 1 75 LEU QD 1 85 PHE H . . 4.870 4.284 4.087 4.683 . 0 0 "[ . 1 .]" 1
641 1 75 LEU QD 1 85 PHE QB . . 3.910 3.297 3.046 3.630 . 0 0 "[ . 1 .]" 1
642 1 75 LEU QD 1 85 PHE QD . . 3.800 2.240 2.085 3.139 . 0 0 "[ . 1 .]" 1
643 1 75 LEU QD 1 85 PHE QE . . 4.350 2.628 2.372 3.414 . 0 0 "[ . 1 .]" 1
644 1 75 LEU QD 1 85 PHE HZ . . 4.440 3.977 3.734 4.684 0.244 7 0 "[ . 1 .]" 1
645 1 75 LEU QD 1 86 VAL H . . 5.440 4.790 4.612 5.387 . 0 0 "[ . 1 .]" 1
646 1 75 LEU QD 1 86 VAL MG2 . . 4.960 4.114 3.825 4.584 . 0 0 "[ . 1 .]" 1
647 1 75 LEU MD1 1 76 ARG HA . . 4.870 3.700 2.715 4.042 . 0 0 "[ . 1 .]" 1
648 1 75 LEU MD1 1 80 MET QG . . 5.500 4.287 3.892 5.406 . 0 0 "[ . 1 .]" 1
649 1 75 LEU MD1 1 82 ARG HA . . 4.030 2.495 2.185 3.863 . 0 0 "[ . 1 .]" 1
650 1 75 LEU MD1 1 85 PHE QB . . 4.460 4.186 3.662 4.474 0.014 6 0 "[ . 1 .]" 1
651 1 75 LEU MD1 1 85 PHE QD . . 4.420 3.580 3.378 3.781 . 0 0 "[ . 1 .]" 1
652 1 75 LEU MD1 1 85 PHE QE . . 4.940 4.378 3.584 4.549 . 0 0 "[ . 1 .]" 1
653 1 75 LEU MD2 1 76 ARG HA . . 4.870 4.681 3.939 4.881 0.011 9 0 "[ . 1 .]" 1
654 1 75 LEU MD2 1 80 MET QG . . 5.500 4.720 3.845 5.188 . 0 0 "[ . 1 .]" 1
655 1 75 LEU MD2 1 82 ARG HA . . 4.030 2.349 2.164 2.607 . 0 0 "[ . 1 .]" 1
656 1 75 LEU MD2 1 85 PHE QB . . 4.460 3.454 3.257 3.842 . 0 0 "[ . 1 .]" 1
657 1 75 LEU MD2 1 85 PHE QD . . 4.420 2.275 2.099 3.385 . 0 0 "[ . 1 .]" 1
658 1 75 LEU MD2 1 85 PHE QE . . 4.940 2.702 2.383 4.293 . 0 0 "[ . 1 .]" 1
659 1 76 ARG H 1 76 ARG HB2 . . 3.830 2.583 2.451 2.710 . 0 0 "[ . 1 .]" 1
660 1 76 ARG H 1 76 ARG QB . . 3.330 2.531 2.413 2.642 . 0 0 "[ . 1 .]" 1
661 1 76 ARG H 1 76 ARG HB3 . . 3.830 3.643 3.608 3.701 . 0 0 "[ . 1 .]" 1
662 1 76 ARG H 1 76 ARG HD2 . . 4.870 4.462 4.025 4.792 . 0 0 "[ . 1 .]" 1
663 1 76 ARG H 1 76 ARG HD3 . . 4.870 4.096 3.846 4.584 . 0 0 "[ . 1 .]" 1
664 1 76 ARG H 1 76 ARG HG2 . . 4.060 3.399 3.059 3.526 . 0 0 "[ . 1 .]" 1
665 1 76 ARG H 1 76 ARG QG . . 3.350 2.196 2.071 2.333 . 0 0 "[ . 1 .]" 1
666 1 76 ARG H 1 76 ARG HG3 . . 4.060 2.226 2.106 2.388 . 0 0 "[ . 1 .]" 1
667 1 76 ARG H 1 77 ASP H . . 3.670 2.772 2.617 2.913 . 0 0 "[ . 1 .]" 1
668 1 76 ARG HA 1 76 ARG HD2 . . 5.060 4.890 4.771 4.970 . 0 0 "[ . 1 .]" 1
669 1 76 ARG HA 1 76 ARG QD . . 4.370 4.234 3.999 4.306 . 0 0 "[ . 1 .]" 1
670 1 76 ARG HA 1 76 ARG HD3 . . 5.060 4.641 4.293 4.739 . 0 0 "[ . 1 .]" 1
671 1 76 ARG HA 1 76 ARG HG2 . . 3.890 2.593 2.457 2.727 . 0 0 "[ . 1 .]" 1
672 1 76 ARG HA 1 76 ARG QG . . 3.160 2.472 2.358 2.563 . 0 0 "[ . 1 .]" 1
673 1 76 ARG HA 1 76 ARG HG3 . . 3.890 3.135 3.001 3.464 . 0 0 "[ . 1 .]" 1
674 1 76 ARG HA 1 77 ASP HA . . 4.880 4.743 4.687 4.810 . 0 0 "[ . 1 .]" 1
675 1 76 ARG HA 1 78 LYS H . . 4.070 3.507 3.317 3.647 . 0 0 "[ . 1 .]" 1
676 1 76 ARG QB 1 76 ARG QD . . 3.290 2.283 2.101 2.414 . 0 0 "[ . 1 .]" 1
677 1 76 ARG QB 1 77 ASP H . . 3.560 2.797 2.466 3.114 . 0 0 "[ . 1 .]" 1
678 1 76 ARG QB 1 78 LYS H . . 4.700 4.450 4.265 4.673 . 0 0 "[ . 1 .]" 1
679 1 76 ARG HB2 1 77 ASP H . . 4.400 2.878 2.511 3.241 . 0 0 "[ . 1 .]" 1
680 1 76 ARG HB2 1 78 LYS H . . 5.500 4.939 4.697 5.188 . 0 0 "[ . 1 .]" 1
681 1 76 ARG HB3 1 77 ASP H . . 4.400 3.822 3.509 4.168 . 0 0 "[ . 1 .]" 1
682 1 76 ARG HB3 1 78 LYS H . . 5.500 5.058 4.871 5.307 . 0 0 "[ . 1 .]" 1
683 1 76 ARG QD 1 77 ASP H . . 5.340 4.998 4.763 5.305 . 0 0 "[ . 1 .]" 1
684 1 76 ARG QG 1 77 ASP H . . 4.630 4.178 3.930 4.340 . 0 0 "[ . 1 .]" 1
685 1 76 ARG HG2 1 77 ASP H . . 5.500 5.104 4.807 5.270 . 0 0 "[ . 1 .]" 1
686 1 76 ARG HG3 1 77 ASP H . . 5.500 4.436 4.169 4.634 . 0 0 "[ . 1 .]" 1
687 1 77 ASP H 1 77 ASP HB2 . . 3.630 2.420 2.166 2.624 . 0 0 "[ . 1 .]" 1
688 1 77 ASP H 1 77 ASP QB . . 3.110 2.261 2.113 2.440 . 0 0 "[ . 1 .]" 1
689 1 77 ASP H 1 77 ASP HB3 . . 3.630 2.844 2.521 3.645 0.015 9 0 "[ . 1 .]" 1
690 1 77 ASP H 1 78 LYS H . . 3.510 2.777 2.570 2.916 . 0 0 "[ . 1 .]" 1
691 1 77 ASP H 1 78 LYS QB . . 5.500 5.500 5.284 5.563 0.063 3 0 "[ . 1 .]" 1
692 1 77 ASP H 1 79 LYS H . . 4.410 3.870 3.615 4.188 . 0 0 "[ . 1 .]" 1
693 1 77 ASP H 1 79 LYS QB . . 5.060 4.731 4.434 5.023 . 0 0 "[ . 1 .]" 1
694 1 77 ASP QB 1 79 LYS H . . 4.300 3.168 2.876 3.498 . 0 0 "[ . 1 .]" 1
695 1 77 ASP QB 1 79 LYS QB . . 4.680 3.297 2.719 3.761 . 0 0 "[ . 1 .]" 1
696 1 77 ASP HB2 1 78 LYS H . . 4.650 4.302 3.824 4.478 . 0 0 "[ . 1 .]" 1
697 1 77 ASP HB2 1 79 LYS H . . 4.910 4.453 3.246 4.946 0.036 3 0 "[ . 1 .]" 1
698 1 77 ASP HB3 1 78 LYS H . . 4.650 3.949 3.696 4.432 . 0 0 "[ . 1 .]" 1
699 1 77 ASP HB3 1 79 LYS H . . 4.910 3.364 2.909 4.404 . 0 0 "[ . 1 .]" 1
700 1 78 LYS H 1 78 LYS QD . . 4.290 3.229 2.247 4.351 0.061 13 0 "[ . 1 .]" 1
701 1 78 LYS H 1 78 LYS QG . . 4.110 2.887 2.461 3.511 . 0 0 "[ . 1 .]" 1
702 1 78 LYS H 1 79 LYS H . . 4.020 2.839 2.719 3.010 . 0 0 "[ . 1 .]" 1
703 1 78 LYS H 1 80 MET H . . 4.510 4.111 3.962 4.292 . 0 0 "[ . 1 .]" 1
704 1 78 LYS HA 1 78 LYS QG . . 3.970 2.702 2.278 3.213 . 0 0 "[ . 1 .]" 1
705 1 79 LYS H 1 79 LYS QB . . 3.640 2.326 2.121 2.489 . 0 0 "[ . 1 .]" 1
706 1 79 LYS H 1 79 LYS QE . . 4.960 4.104 3.109 4.946 . 0 0 "[ . 1 .]" 1
707 1 79 LYS H 1 79 LYS QG . . 4.140 3.163 2.155 4.083 . 0 0 "[ . 1 .]" 1
708 1 79 LYS H 1 80 MET H . . 3.430 2.434 2.312 2.603 . 0 0 "[ . 1 .]" 1
709 1 79 LYS QE 1 80 MET H . . 5.500 5.227 4.598 5.548 0.048 11 0 "[ . 1 .]" 1
710 1 79 LYS QG 1 80 MET H . . 4.620 4.249 3.859 4.526 . 0 0 "[ . 1 .]" 1
711 1 80 MET H 1 80 MET HB2 . . 4.000 3.334 3.046 3.505 . 0 0 "[ . 1 .]" 1
712 1 80 MET H 1 80 MET QB . . 3.510 2.658 2.447 2.819 . 0 0 "[ . 1 .]" 1
713 1 80 MET H 1 80 MET HB3 . . 4.000 2.793 2.578 2.980 . 0 0 "[ . 1 .]" 1
714 1 80 MET H 1 80 MET QG . . 4.350 4.089 4.039 4.164 . 0 0 "[ . 1 .]" 1
715 1 80 MET H 1 81 THR H . . 4.560 4.403 4.285 4.551 . 0 0 "[ . 1 .]" 1
716 1 80 MET H 1 81 THR MG . . 5.270 5.099 4.865 5.290 0.020 15 0 "[ . 1 .]" 1
717 1 80 MET HA 1 80 MET ME . . 4.740 4.475 4.372 4.575 . 0 0 "[ . 1 .]" 1
718 1 80 MET HA 1 80 MET QG . . 3.730 2.449 2.324 2.551 . 0 0 "[ . 1 .]" 1
719 1 80 MET HA 1 81 THR H . . 3.150 2.313 2.240 2.392 . 0 0 "[ . 1 .]" 1
720 1 80 MET HA 1 81 THR MG . . 3.600 3.602 3.440 3.647 0.047 11 0 "[ . 1 .]" 1
721 1 80 MET QB 1 80 MET ME . . 3.610 2.200 2.101 2.383 . 0 0 "[ . 1 .]" 1
722 1 80 MET HB2 1 81 THR H . . 4.450 3.965 3.833 4.144 . 0 0 "[ . 1 .]" 1
723 1 80 MET HB3 1 81 THR H . . 4.450 3.938 3.814 4.015 . 0 0 "[ . 1 .]" 1
724 1 80 MET ME 1 80 MET QG . . 2.660 2.496 2.304 2.582 . 0 0 "[ . 1 .]" 1
725 1 80 MET ME 1 81 THR H . . 5.040 4.859 4.564 5.043 0.003 9 0 "[ . 1 .]" 1
726 1 80 MET ME 1 85 PHE H . . 4.160 3.864 3.192 4.132 . 0 0 "[ . 1 .]" 1
727 1 80 MET ME 1 85 PHE HA . . 3.490 3.041 2.625 3.350 . 0 0 "[ . 1 .]" 1
728 1 80 MET ME 1 85 PHE QB . . 3.420 2.043 1.936 2.107 . 0 0 "[ . 1 .]" 1
729 1 80 MET ME 1 85 PHE QD . . 3.830 3.776 3.671 3.856 0.026 4 0 "[ . 1 .]" 1
730 1 80 MET ME 1 86 VAL H . . 5.500 5.397 4.866 5.524 0.024 1 0 "[ . 1 .]" 1
731 1 80 MET ME 1 88 LYS QD . . 3.980 3.073 2.207 4.003 0.023 6 0 "[ . 1 .]" 1
732 1 80 MET ME 1 88 LYS QE . . 3.820 3.336 2.717 3.859 0.039 7 0 "[ . 1 .]" 1
733 1 80 MET QG 1 81 THR H . . 3.700 2.140 1.992 2.309 . 0 0 "[ . 1 .]" 1
734 1 80 MET QG 1 81 THR HA . . 4.650 4.125 4.041 4.258 . 0 0 "[ . 1 .]" 1
735 1 80 MET QG 1 81 THR MG . . 4.170 3.949 3.710 4.137 . 0 0 "[ . 1 .]" 1
736 1 80 MET QG 1 84 GLU H . . 4.870 3.893 3.798 4.046 . 0 0 "[ . 1 .]" 1
737 1 80 MET QG 1 85 PHE H . . 4.100 2.921 2.586 3.247 . 0 0 "[ . 1 .]" 1
738 1 80 MET QG 1 85 PHE HA . . 4.720 4.046 3.478 4.650 . 0 0 "[ . 1 .]" 1
739 1 80 MET QG 1 85 PHE QB . . 4.370 2.733 2.310 3.356 . 0 0 "[ . 1 .]" 1
740 1 80 MET QG 1 85 PHE QD . . 5.160 4.385 4.021 5.011 . 0 0 "[ . 1 .]" 1
741 1 81 THR H 1 81 THR MG . . 3.150 2.370 2.211 2.562 . 0 0 "[ . 1 .]" 1
742 1 81 THR H 1 82 ARG H . . 4.670 4.636 4.588 4.678 0.008 3 0 "[ . 1 .]" 1
743 1 81 THR H 1 84 GLU H . . 4.720 3.961 3.593 4.373 . 0 0 "[ . 1 .]" 1
744 1 81 THR H 1 84 GLU QB . . 4.190 2.659 1.959 3.206 . 0 0 "[ . 1 .]" 1
745 1 81 THR H 1 84 GLU QG . . 4.170 3.579 2.798 3.940 . 0 0 "[ . 1 .]" 1
746 1 81 THR HA 1 81 THR MG . . 3.060 2.465 2.312 2.627 . 0 0 "[ . 1 .]" 1
747 1 81 THR HA 1 82 ARG H . . 3.380 2.368 2.292 2.457 . 0 0 "[ . 1 .]" 1
748 1 81 THR HA 1 82 ARG HA . . 4.570 4.355 4.294 4.425 . 0 0 "[ . 1 .]" 1
749 1 81 THR HA 1 82 ARG QB . . 4.250 4.201 4.084 4.265 0.015 14 0 "[ . 1 .]" 1
750 1 81 THR HA 1 83 ALA H . . 4.630 4.557 4.382 4.646 0.016 6 0 "[ . 1 .]" 1
751 1 81 THR HB 1 82 ARG H . . 3.990 2.544 2.369 2.772 . 0 0 "[ . 1 .]" 1
752 1 81 THR HB 1 83 ALA H . . 3.810 3.203 2.942 3.523 . 0 0 "[ . 1 .]" 1
753 1 81 THR MG 1 82 ARG H . . 4.100 3.850 3.557 4.082 . 0 0 "[ . 1 .]" 1
754 1 81 THR MG 1 84 GLU H . . 4.390 4.197 3.859 4.463 0.073 6 0 "[ . 1 .]" 1
755 1 81 THR MG 1 84 GLU QG . . 4.070 3.442 2.563 3.927 . 0 0 "[ . 1 .]" 1
756 1 82 ARG H 1 83 ALA H . . 4.020 2.855 2.771 2.986 . 0 0 "[ . 1 .]" 1
757 1 82 ARG H 1 83 ALA MB . . 4.660 4.439 4.298 4.645 . 0 0 "[ . 1 .]" 1
758 1 82 ARG HA 1 82 ARG QD . . 4.670 3.933 3.136 4.340 . 0 0 "[ . 1 .]" 1
759 1 82 ARG HA 1 83 ALA MB . . 5.020 5.020 4.980 5.042 0.022 14 0 "[ . 1 .]" 1
760 1 82 ARG HA 1 85 PHE QB . . 5.010 3.663 3.258 4.236 . 0 0 "[ . 1 .]" 1
761 1 82 ARG HA 1 85 PHE QD . . 4.480 2.191 2.060 2.406 . 0 0 "[ . 1 .]" 1
762 1 82 ARG HA 1 86 VAL MG2 . . 4.240 3.937 3.785 4.152 . 0 0 "[ . 1 .]" 1
763 1 82 ARG QB 1 83 ALA H . . 3.780 2.471 2.335 2.635 . 0 0 "[ . 1 .]" 1
764 1 82 ARG QB 1 83 ALA MB . . 3.880 3.771 3.626 3.893 0.013 13 0 "[ . 1 .]" 1
765 1 82 ARG QB 1 85 PHE QD . . 5.210 4.166 3.897 4.473 . 0 0 "[ . 1 .]" 1
766 1 82 ARG QB 1 85 PHE QE . . 5.120 4.511 4.399 4.652 . 0 0 "[ . 1 .]" 1
767 1 82 ARG QD 1 83 ALA H . . 4.450 4.136 3.598 4.477 0.027 7 0 "[ . 1 .]" 1
768 1 82 ARG QD 1 83 ALA HA . . 4.660 4.319 3.198 4.738 0.078 8 0 "[ . 1 .]" 1
769 1 82 ARG QD 1 83 ALA MB . . 4.640 4.472 4.056 4.680 0.040 7 0 "[ . 1 .]" 1
770 1 82 ARG QG 1 85 PHE QD . . 4.800 3.210 2.787 3.909 . 0 0 "[ . 1 .]" 1
771 1 82 ARG QG 1 85 PHE QE . . 5.050 2.648 2.461 2.813 . 0 0 "[ . 1 .]" 1
772 1 82 ARG QG 1 85 PHE HZ . . 4.810 4.752 4.474 4.872 0.062 7 0 "[ . 1 .]" 1
773 1 83 ALA H 1 83 ALA MB . . 3.050 2.188 2.149 2.222 . 0 0 "[ . 1 .]" 1
774 1 83 ALA H 1 84 GLU H . . 3.530 2.922 2.813 3.073 . 0 0 "[ . 1 .]" 1
775 1 83 ALA HA 1 86 VAL H . . 4.390 3.481 3.312 3.619 . 0 0 "[ . 1 .]" 1
776 1 83 ALA HA 1 86 VAL HB . . 3.560 2.448 2.229 2.674 . 0 0 "[ . 1 .]" 1
777 1 83 ALA HA 1 86 VAL MG1 . . 3.880 3.727 3.508 3.898 0.018 11 0 "[ . 1 .]" 1
778 1 83 ALA HA 1 86 VAL MG2 . . 3.630 3.359 3.169 3.525 . 0 0 "[ . 1 .]" 1
779 1 83 ALA MB 1 84 GLU H . . 3.440 2.683 2.499 2.826 . 0 0 "[ . 1 .]" 1
780 1 83 ALA MB 1 84 GLU QG . . 4.150 3.467 3.155 4.001 . 0 0 "[ . 1 .]" 1
781 1 83 ALA MB 1 86 VAL HB . . 4.250 3.996 3.823 4.108 . 0 0 "[ . 1 .]" 1
782 1 83 ALA MB 1 86 VAL MG1 . . 4.820 4.508 4.240 4.693 . 0 0 "[ . 1 .]" 1
783 1 84 GLU H 1 84 GLU HB2 . . 3.650 2.345 2.249 2.433 . 0 0 "[ . 1 .]" 1
784 1 84 GLU H 1 84 GLU QB . . 3.150 2.316 2.226 2.397 . 0 0 "[ . 1 .]" 1
785 1 84 GLU H 1 84 GLU HB3 . . 3.650 3.591 3.546 3.613 . 0 0 "[ . 1 .]" 1
786 1 84 GLU H 1 84 GLU QG . . 3.620 2.523 2.268 2.833 . 0 0 "[ . 1 .]" 1
787 1 84 GLU H 1 85 PHE H . . 3.420 2.819 2.703 2.902 . 0 0 "[ . 1 .]" 1
788 1 84 GLU H 1 85 PHE QB . . 4.850 4.720 4.462 4.859 0.009 2 0 "[ . 1 .]" 1
789 1 84 GLU H 1 86 VAL H . . 4.930 4.221 4.071 4.371 . 0 0 "[ . 1 .]" 1
790 1 84 GLU HA 1 84 GLU QG . . 3.300 2.641 2.230 2.880 . 0 0 "[ . 1 .]" 1
791 1 84 GLU HA 1 86 VAL H . . 4.720 4.505 4.339 4.673 . 0 0 "[ . 1 .]" 1
792 1 84 GLU HA 1 87 ARG H . . 4.290 3.412 3.094 3.718 . 0 0 "[ . 1 .]" 1
793 1 84 GLU HA 1 87 ARG QG . . 3.610 3.333 2.350 3.667 0.057 11 0 "[ . 1 .]" 1
794 1 84 GLU QB 1 85 PHE H . . 3.810 2.807 2.506 3.000 . 0 0 "[ . 1 .]" 1
795 1 84 GLU QG 1 85 PHE H . . 4.460 4.412 4.334 4.483 0.023 15 0 "[ . 1 .]" 1
796 1 85 PHE H 1 85 PHE QB . . 3.300 2.210 2.098 2.286 . 0 0 "[ . 1 .]" 1
797 1 85 PHE H 1 85 PHE QD . . 4.150 3.183 2.954 3.504 . 0 0 "[ . 1 .]" 1
798 1 85 PHE H 1 86 VAL H . . 3.670 2.611 2.553 2.683 . 0 0 "[ . 1 .]" 1
799 1 85 PHE H 1 86 VAL HB . . 4.980 4.657 4.467 4.779 . 0 0 "[ . 1 .]" 1
800 1 85 PHE H 1 86 VAL MG2 . . 4.350 4.335 4.211 4.373 0.023 1 0 "[ . 1 .]" 1
801 1 85 PHE HA 1 85 PHE QD . . 3.670 3.409 3.219 3.538 . 0 0 "[ . 1 .]" 1
802 1 85 PHE HA 1 86 VAL HA . . 4.960 4.827 4.789 4.899 . 0 0 "[ . 1 .]" 1
803 1 85 PHE HA 1 87 ARG H . . 4.830 4.292 4.074 4.550 . 0 0 "[ . 1 .]" 1
804 1 85 PHE QB 1 86 VAL H . . 4.860 3.416 3.202 3.526 . 0 0 "[ . 1 .]" 1
805 1 85 PHE QB 1 88 LYS QD . . 5.500 3.819 3.197 4.282 . 0 0 "[ . 1 .]" 1
806 1 85 PHE QD 1 86 VAL H . . 4.600 3.126 3.001 3.261 . 0 0 "[ . 1 .]" 1
807 1 85 PHE QD 1 86 VAL HA . . 4.770 4.200 4.072 4.325 . 0 0 "[ . 1 .]" 1
808 1 85 PHE QD 1 86 VAL HB . . 5.190 4.811 4.629 4.987 . 0 0 "[ . 1 .]" 1
809 1 85 PHE QD 1 86 VAL MG2 . . 3.930 3.064 2.868 3.276 . 0 0 "[ . 1 .]" 1
810 1 85 PHE QD 1 89 LEU QD . . 4.700 3.583 3.342 3.853 . 0 0 "[ . 1 .]" 1
811 1 85 PHE QE 1 86 VAL HA . . 5.160 4.324 4.138 4.502 . 0 0 "[ . 1 .]" 1
812 1 85 PHE QE 1 86 VAL MG2 . . 4.330 2.797 2.642 2.984 . 0 0 "[ . 1 .]" 1
813 1 85 PHE QE 1 89 LEU QD . . 3.920 2.372 2.203 2.611 . 0 0 "[ . 1 .]" 1
814 1 85 PHE HZ 1 86 VAL MG2 . . 3.670 3.525 3.288 3.702 0.032 15 0 "[ . 1 .]" 1
815 1 86 VAL H 1 86 VAL HB . . 3.720 2.380 2.300 2.492 . 0 0 "[ . 1 .]" 1
816 1 86 VAL H 1 86 VAL MG1 . . 3.950 3.781 3.731 3.812 . 0 0 "[ . 1 .]" 1
817 1 86 VAL H 1 86 VAL MG2 . . 3.560 2.338 2.228 2.385 . 0 0 "[ . 1 .]" 1
818 1 86 VAL H 1 87 ARG H . . 3.880 2.801 2.735 2.934 . 0 0 "[ . 1 .]" 1
819 1 86 VAL HA 1 86 VAL MG1 . . 3.540 2.559 2.483 2.604 . 0 0 "[ . 1 .]" 1
820 1 86 VAL HA 1 86 VAL MG2 . . 3.410 2.274 2.228 2.347 . 0 0 "[ . 1 .]" 1
821 1 86 VAL HA 1 89 LEU H . . 4.120 3.003 2.792 3.197 . 0 0 "[ . 1 .]" 1
822 1 86 VAL HA 1 89 LEU HA . . 5.500 4.864 4.695 5.086 . 0 0 "[ . 1 .]" 1
823 1 86 VAL HA 1 89 LEU QB . . 3.570 2.190 2.029 2.450 . 0 0 "[ . 1 .]" 1
824 1 86 VAL HA 1 89 LEU MD1 . . 4.590 4.121 2.901 4.622 0.032 12 0 "[ . 1 .]" 1
825 1 86 VAL HA 1 89 LEU MD2 . . 4.590 3.389 2.728 4.558 . 0 0 "[ . 1 .]" 1
826 1 86 VAL HA 1 90 ARG H . . 4.660 3.975 3.743 4.355 . 0 0 "[ . 1 .]" 1
827 1 86 VAL HB 1 87 ARG H . . 3.670 2.916 2.817 3.061 . 0 0 "[ . 1 .]" 1
828 1 86 VAL MG1 1 87 ARG H . . 4.150 3.412 3.253 3.580 . 0 0 "[ . 1 .]" 1
829 1 86 VAL MG1 1 87 ARG HA . . 3.780 3.618 3.443 3.778 . 0 0 "[ . 1 .]" 1
830 1 86 VAL MG1 1 90 ARG H . . 4.400 3.899 3.709 4.353 . 0 0 "[ . 1 .]" 1
831 1 86 VAL MG1 1 90 ARG QD . . 3.700 2.717 2.244 3.611 . 0 0 "[ . 1 .]" 1
832 1 86 VAL MG2 1 87 ARG H . . 4.140 4.134 4.067 4.168 0.028 6 0 "[ . 1 .]" 1
833 1 87 ARG H 1 87 ARG QB . . 3.230 2.359 1.954 2.671 . 0 0 "[ . 1 .]" 1
834 1 87 ARG H 1 87 ARG HG2 . . 4.090 3.330 2.213 3.861 . 0 0 "[ . 1 .]" 1
835 1 87 ARG H 1 87 ARG QG . . 3.510 2.564 2.177 3.494 . 0 0 "[ . 1 .]" 1
836 1 87 ARG H 1 87 ARG HG3 . . 4.090 2.973 2.329 4.161 0.071 9 0 "[ . 1 .]" 1
837 1 87 ARG H 1 88 LYS H . . 3.790 2.812 2.719 2.931 . 0 0 "[ . 1 .]" 1
838 1 87 ARG H 1 88 LYS HA . . 5.420 5.461 5.426 5.493 0.073 6 0 "[ . 1 .]" 1
839 1 87 ARG HA 1 87 ARG HG2 . . 3.850 2.589 2.242 3.702 . 0 0 "[ . 1 .]" 1
840 1 87 ARG HA 1 87 ARG QG . . 3.050 2.467 2.158 3.251 0.201 3 0 "[ . 1 .]" 1
841 1 87 ARG HA 1 87 ARG HG3 . . 3.850 3.214 2.798 3.758 . 0 0 "[ . 1 .]" 1
842 1 87 ARG HA 1 89 LEU H . . 4.480 4.203 3.833 4.461 . 0 0 "[ . 1 .]" 1
843 1 87 ARG HA 1 90 ARG H . . 4.140 3.864 3.586 4.181 0.041 10 0 "[ . 1 .]" 1
844 1 87 ARG HA 1 90 ARG QD . . 3.730 2.368 2.006 2.948 . 0 0 "[ . 1 .]" 1
845 1 87 ARG QB 1 88 LYS H . . 3.810 2.973 2.635 3.627 . 0 0 "[ . 1 .]" 1
846 1 88 LYS H 1 88 LYS QB . . 3.770 2.532 2.194 2.797 . 0 0 "[ . 1 .]" 1
847 1 88 LYS H 1 88 LYS QD . . 4.730 4.000 3.469 4.743 0.013 13 0 "[ . 1 .]" 1
848 1 88 LYS H 1 88 LYS QE . . 4.920 4.516 3.699 4.971 0.051 2 0 "[ . 1 .]" 1
849 1 88 LYS H 1 88 LYS HG2 . . 4.420 3.310 2.249 4.455 0.035 13 0 "[ . 1 .]" 1
850 1 88 LYS H 1 88 LYS HG3 . . 4.420 2.797 2.010 4.425 0.005 13 0 "[ . 1 .]" 1
851 1 88 LYS H 1 89 LEU H . . 3.760 2.487 2.152 2.712 . 0 0 "[ . 1 .]" 1
852 1 88 LYS H 1 89 LEU HA . . 5.270 5.116 4.752 5.294 0.024 7 0 "[ . 1 .]" 1
853 1 88 LYS H 1 91 VAL QG . . 4.880 4.646 3.995 4.899 0.019 8 0 "[ . 1 .]" 1
854 1 88 LYS HA 1 88 LYS QE . . 4.530 4.328 3.974 4.588 0.058 5 0 "[ . 1 .]" 1
855 1 88 LYS HA 1 88 LYS QG . . 3.570 2.704 2.334 3.398 . 0 0 "[ . 1 .]" 1
856 1 88 LYS HA 1 91 VAL H . . 4.640 3.557 2.973 3.976 . 0 0 "[ . 1 .]" 1
857 1 88 LYS HA 1 91 VAL HB . . 4.750 3.222 2.306 4.871 0.121 7 0 "[ . 1 .]" 1
858 1 88 LYS HA 1 91 VAL MG1 . . 4.140 3.831 2.455 4.193 0.053 14 0 "[ . 1 .]" 1
859 1 88 LYS HA 1 91 VAL QG . . 3.210 2.840 2.005 3.249 0.039 8 0 "[ . 1 .]" 1
860 1 88 LYS HA 1 91 VAL MG2 . . 4.140 2.962 2.012 3.484 . 0 0 "[ . 1 .]" 1
861 1 88 LYS QB 1 89 LEU H . . 4.730 3.115 2.737 3.884 . 0 0 "[ . 1 .]" 1
862 1 88 LYS QB 1 91 VAL QG . . 4.010 4.008 2.615 4.554 0.544 13 2 "[ . - 1 + .]" 1
863 1 88 LYS QE 1 91 VAL QG . . 5.440 5.299 4.672 5.651 0.211 6 0 "[ . 1 .]" 1
864 1 89 LEU H 1 89 LEU QB . . 3.360 2.187 2.089 2.244 . 0 0 "[ . 1 .]" 1
865 1 89 LEU H 1 89 LEU MD1 . . 4.590 4.189 4.077 4.365 . 0 0 "[ . 1 .]" 1
866 1 89 LEU H 1 89 LEU QD . . 4.030 3.735 3.632 3.788 . 0 0 "[ . 1 .]" 1
867 1 89 LEU H 1 89 LEU MD2 . . 4.590 4.207 3.884 4.346 . 0 0 "[ . 1 .]" 1
868 1 89 LEU H 1 90 ARG H . . 3.690 2.678 2.538 2.797 . 0 0 "[ . 1 .]" 1
869 1 89 LEU H 1 90 ARG QD . . 4.750 4.816 4.688 4.866 0.116 10 0 "[ . 1 .]" 1
870 1 89 LEU H 1 91 VAL QG . . 4.570 4.692 3.882 4.969 0.399 8 0 "[ . 1 .]" 1
871 1 89 LEU HA 1 89 LEU MD1 . . 4.280 2.727 2.158 3.855 . 0 0 "[ . 1 .]" 1
872 1 89 LEU HA 1 89 LEU QD . . 3.670 2.457 2.094 3.166 . 0 0 "[ . 1 .]" 1
873 1 89 LEU HA 1 89 LEU MD2 . . 4.280 3.577 2.156 3.955 . 0 0 "[ . 1 .]" 1
874 1 89 LEU HA 1 89 LEU HG . . 4.060 2.990 2.350 3.777 . 0 0 "[ . 1 .]" 1
875 1 89 LEU HA 1 91 VAL H . . 4.790 4.178 3.781 4.570 . 0 0 "[ . 1 .]" 1
876 1 89 LEU HA 1 92 ILE H . . 4.580 3.584 3.347 3.817 . 0 0 "[ . 1 .]" 1
877 1 89 LEU HA 1 92 ILE MD . . 4.250 2.954 2.374 4.295 0.045 14 0 "[ . 1 .]" 1
878 1 89 LEU QB 1 90 ARG H . . 3.600 2.552 2.242 2.699 . 0 0 "[ . 1 .]" 1
879 1 89 LEU QD 1 90 ARG H . . 3.730 3.688 3.056 4.065 0.335 11 0 "[ . 1 .]" 1
880 1 89 LEU QD 1 90 ARG HA . . 3.130 3.917 2.687 4.658 1.528 2 9 "[-+**.** *** .]" 1
881 1 89 LEU QD 1 90 ARG QB . . 4.510 4.115 3.201 4.688 0.178 11 0 "[ . 1 .]" 1
882 1 89 LEU QD 1 90 ARG QD . . 5.030 5.060 4.485 5.556 0.526 10 1 "[ . + .]" 1
883 1 89 LEU QD 1 92 ILE H . . 4.940 4.619 4.250 4.972 0.032 15 0 "[ . 1 .]" 1
884 1 89 LEU QD 1 93 VAL H . . 4.710 3.745 3.323 4.354 . 0 0 "[ . 1 .]" 1
885 1 89 LEU QD 1 93 VAL HB . . 4.540 2.928 2.255 3.784 . 0 0 "[ . 1 .]" 1
886 1 89 LEU QD 1 95 ASP HA . . 4.570 4.771 3.752 5.622 1.052 10 7 "[****. - + * .]" 1
887 1 89 LEU QD 1 95 ASP QB . . 5.330 5.049 3.590 5.916 0.586 4 2 "[- +. 1 .]" 1
888 1 89 LEU MD1 1 90 ARG H . . 5.070 4.538 3.672 4.882 . 0 0 "[ . 1 .]" 1
889 1 89 LEU MD2 1 90 ARG H . . 5.070 4.004 3.099 4.742 . 0 0 "[ . 1 .]" 1
890 1 90 ARG H 1 90 ARG QB . . 3.550 2.510 2.352 2.837 . 0 0 "[ . 1 .]" 1
891 1 90 ARG H 1 90 ARG QD . . 4.540 3.266 3.073 3.659 . 0 0 "[ . 1 .]" 1
892 1 90 ARG H 1 90 ARG QG . . 3.410 2.143 1.848 2.451 . 0 0 "[ . 1 .]" 1
893 1 90 ARG H 1 91 VAL H . . 3.960 2.721 2.658 2.807 . 0 0 "[ . 1 .]" 1
894 1 90 ARG H 1 91 VAL HA . . 5.320 5.364 5.334 5.401 0.081 1 0 "[ . 1 .]" 1
895 1 90 ARG H 1 91 VAL QG . . 4.470 4.109 3.626 4.346 . 0 0 "[ . 1 .]" 1
896 1 90 ARG HA 1 90 ARG QD . . 4.440 4.361 4.115 4.525 0.085 10 0 "[ . 1 .]" 1
897 1 90 ARG HA 1 90 ARG QG . . 3.830 3.374 3.303 3.411 . 0 0 "[ . 1 .]" 1
898 1 90 ARG HA 1 93 VAL H . . 4.110 3.442 3.001 3.747 . 0 0 "[ . 1 .]" 1
899 1 90 ARG HA 1 93 VAL HB . . 4.350 3.813 2.983 4.434 0.084 10 0 "[ . 1 .]" 1
900 1 90 ARG HA 1 93 VAL QG . . 3.660 4.106 2.105 4.612 0.952 5 11 "[** *+** -1* ***]" 1
901 1 90 ARG HA 1 94 GLY H . . 3.840 2.310 2.086 2.867 . 0 0 "[ . 1 .]" 1
902 1 90 ARG HA 1 95 ASP H . . 4.500 3.465 2.879 4.158 . 0 0 "[ . 1 .]" 1
903 1 90 ARG HA 1 95 ASP HA . . 4.640 4.142 3.629 4.648 0.008 1 0 "[ . 1 .]" 1
904 1 90 ARG QB 1 91 VAL QG . . 4.550 4.227 3.861 4.382 . 0 0 "[ . 1 .]" 1
905 1 90 ARG QB 1 94 GLY HA2 . . 3.890 3.290 2.844 3.897 0.007 10 0 "[ . 1 .]" 1
906 1 90 ARG HB2 1 91 VAL H . . 4.490 4.152 3.784 4.390 . 0 0 "[ . 1 .]" 1
907 1 90 ARG HB3 1 91 VAL H . . 4.490 4.249 3.978 4.408 . 0 0 "[ . 1 .]" 1
908 1 90 ARG QG 1 91 VAL H . . 4.360 2.622 2.251 3.026 . 0 0 "[ . 1 .]" 1
909 1 90 ARG QG 1 91 VAL HA . . 4.760 3.957 3.554 4.481 . 0 0 "[ . 1 .]" 1
910 1 91 VAL H 1 91 VAL HB . . 3.630 2.635 2.240 3.708 0.078 11 0 "[ . 1 .]" 1
911 1 91 VAL H 1 91 VAL MG1 . . 3.910 3.487 2.205 3.826 . 0 0 "[ . 1 .]" 1
912 1 91 VAL H 1 91 VAL QG . . 3.000 2.336 1.914 2.721 . 0 0 "[ . 1 .]" 1
913 1 91 VAL H 1 91 VAL MG2 . . 3.910 2.413 1.998 2.794 . 0 0 "[ . 1 .]" 1
914 1 91 VAL H 1 92 ILE H . . 4.270 2.542 2.254 2.757 . 0 0 "[ . 1 .]" 1
915 1 91 VAL H 1 92 ILE MD . . 5.500 4.862 4.498 5.378 . 0 0 "[ . 1 .]" 1
916 1 91 VAL HA 1 91 VAL MG1 . . 3.200 2.529 2.312 2.678 . 0 0 "[ . 1 .]" 1
917 1 91 VAL HA 1 91 VAL QG . . 2.720 2.180 2.076 2.429 . 0 0 "[ . 1 .]" 1
918 1 91 VAL HA 1 91 VAL MG2 . . 3.200 2.489 2.200 3.236 0.036 7 0 "[ . 1 .]" 1
919 1 91 VAL HA 1 92 ILE QG . . 5.120 4.986 4.812 5.147 0.027 14 0 "[ . 1 .]" 1
920 1 91 VAL HA 1 93 VAL H . . 5.500 4.906 4.701 5.270 . 0 0 "[ . 1 .]" 1
921 1 91 VAL HB 1 92 ILE H . . 4.450 3.077 2.513 4.165 . 0 0 "[ . 1 .]" 1
922 1 91 VAL MG1 1 92 ILE H . . 4.090 3.536 3.141 4.119 0.029 1 0 "[ . 1 .]" 1
923 1 91 VAL MG2 1 92 ILE H . . 4.090 3.757 2.413 4.111 0.021 5 0 "[ . 1 .]" 1
924 1 92 ILE H 1 92 ILE HB . . 3.900 2.442 2.326 2.655 . 0 0 "[ . 1 .]" 1
925 1 92 ILE H 1 92 ILE HG12 . . 4.580 3.651 2.189 3.914 . 0 0 "[ . 1 .]" 1
926 1 92 ILE H 1 92 ILE QG . . 4.020 2.345 2.147 2.563 . 0 0 "[ . 1 .]" 1
927 1 92 ILE H 1 92 ILE HG13 . . 4.580 2.471 2.163 3.705 . 0 0 "[ . 1 .]" 1
928 1 92 ILE H 1 92 ILE MG . . 3.990 3.802 3.737 3.832 . 0 0 "[ . 1 .]" 1
929 1 92 ILE H 1 93 VAL H . . 4.350 2.615 2.349 2.838 . 0 0 "[ . 1 .]" 1
930 1 92 ILE H 1 93 VAL QG . . 4.360 4.138 3.773 4.552 0.192 2 0 "[ . 1 .]" 1
931 1 92 ILE HA 1 92 ILE MD . . 4.500 3.807 2.357 3.952 . 0 0 "[ . 1 .]" 1
932 1 92 ILE HA 1 92 ILE QG . . 3.740 2.509 2.351 3.208 . 0 0 "[ . 1 .]" 1
933 1 92 ILE HA 1 92 ILE MG . . 3.210 2.463 2.276 2.526 . 0 0 "[ . 1 .]" 1
934 1 92 ILE HB 1 93 VAL H . . 4.000 2.522 2.194 2.828 . 0 0 "[ . 1 .]" 1
935 1 92 ILE HB 1 93 VAL HB . . 4.880 4.045 3.519 4.396 . 0 0 "[ . 1 .]" 1
936 1 92 ILE HB 1 93 VAL QG . . 3.230 2.627 2.318 4.014 0.784 10 1 "[ . + .]" 1
937 1 92 ILE MD 1 93 VAL H . . 4.620 4.384 4.011 4.622 0.002 15 0 "[ . 1 .]" 1
938 1 92 ILE QG 1 92 ILE MG . . 3.260 2.290 2.249 2.389 . 0 0 "[ . 1 .]" 1
939 1 92 ILE QG 1 93 VAL H . . 5.260 4.112 3.740 4.215 . 0 0 "[ . 1 .]" 1
940 1 92 ILE MG 1 93 VAL H . . 3.860 3.282 2.983 3.558 . 0 0 "[ . 1 .]" 1
941 1 92 ILE MG 1 93 VAL HA . . 4.030 3.404 3.065 3.763 . 0 0 "[ . 1 .]" 1
942 1 92 ILE MG 1 93 VAL HB . . 4.160 4.149 3.329 4.227 0.067 12 0 "[ . 1 .]" 1
943 1 93 VAL H 1 93 VAL HB . . 3.860 2.422 2.281 2.615 . 0 0 "[ . 1 .]" 1
944 1 93 VAL H 1 93 VAL MG1 . . 4.220 3.718 2.471 3.897 . 0 0 "[ . 1 .]" 1
945 1 93 VAL H 1 93 VAL QG . . 3.350 2.481 2.182 2.762 . 0 0 "[ . 1 .]" 1
946 1 93 VAL H 1 93 VAL MG2 . . 4.220 2.604 2.195 3.749 . 0 0 "[ . 1 .]" 1
947 1 93 VAL H 1 94 GLY H . . 3.820 2.356 2.070 2.662 . 0 0 "[ . 1 .]" 1
948 1 93 VAL HA 1 93 VAL MG1 . . 3.330 2.546 2.368 3.259 . 0 0 "[ . 1 .]" 1
949 1 93 VAL HA 1 93 VAL MG2 . . 3.330 2.363 2.208 2.485 . 0 0 "[ . 1 .]" 1
950 1 93 VAL HB 1 94 GLY H . . 4.330 2.912 2.316 4.018 . 0 0 "[ . 1 .]" 1
951 1 93 VAL QG 1 94 GLY H . . 3.630 3.264 2.548 3.516 . 0 0 "[ . 1 .]" 1
952 1 93 VAL QG 1 94 GLY HA3 . . 4.730 3.984 3.714 4.195 . 0 0 "[ . 1 .]" 1
953 1 93 VAL QG 1 97 LEU H . . 4.720 4.249 3.716 4.853 0.133 6 0 "[ . 1 .]" 1
954 1 93 VAL QG 1 97 LEU QB . . 3.060 2.486 2.143 3.150 0.090 6 0 "[ . 1 .]" 1
955 1 93 VAL QG 1 97 LEU HG . . 3.750 3.203 2.467 3.897 0.147 6 0 "[ . 1 .]" 1
956 1 93 VAL QG 1 98 LEU H . . 4.570 3.539 2.921 4.313 . 0 0 "[ . 1 .]" 1
957 1 93 VAL MG1 1 94 GLY H . . 4.240 3.488 2.571 3.803 . 0 0 "[ . 1 .]" 1
958 1 93 VAL MG2 1 94 GLY H . . 4.240 4.009 3.795 4.228 . 0 0 "[ . 1 .]" 1
959 1 94 GLY H 1 95 ASP HA . . 5.080 4.955 4.660 5.099 0.019 14 0 "[ . 1 .]" 1
960 1 94 GLY HA2 1 95 ASP H . . 3.500 2.161 2.080 2.198 . 0 0 "[ . 1 .]" 1
961 1 94 GLY HA2 1 95 ASP QB . . 4.280 4.148 3.847 4.345 0.065 13 0 "[ . 1 .]" 1
962 1 94 GLY HA2 1 97 LEU QB . . 5.180 4.677 4.180 5.232 0.052 13 0 "[ . 1 .]" 1
963 1 94 GLY HA3 1 95 ASP QB . . 5.400 5.055 4.548 5.302 . 0 0 "[ . 1 .]" 1
964 1 94 GLY HA3 1 97 LEU H . . 4.200 3.405 2.971 3.879 . 0 0 "[ . 1 .]" 1
965 1 94 GLY HA3 1 97 LEU QB . . 4.800 3.386 2.767 4.177 . 0 0 "[ . 1 .]" 1
966 1 94 GLY HA3 1 97 LEU QD . . 5.230 4.495 4.124 5.188 . 0 0 "[ . 1 .]" 1
967 1 95 ASP H 1 95 ASP QB . . 3.440 2.391 2.024 2.721 . 0 0 "[ . 1 .]" 1
968 1 95 ASP H 1 96 ASP H . . 3.500 2.581 2.364 2.835 . 0 0 "[ . 1 .]" 1
969 1 95 ASP HA 1 98 LEU H . . 4.610 3.153 2.443 3.389 . 0 0 "[ . 1 .]" 1
970 1 95 ASP HA 1 98 LEU QB . . 4.470 2.384 2.123 2.996 . 0 0 "[ . 1 .]" 1
971 1 95 ASP HA 1 98 LEU QD . . 4.300 2.941 2.147 3.958 . 0 0 "[ . 1 .]" 1
972 1 95 ASP QB 1 98 LEU QB . . 4.750 3.809 2.601 4.291 . 0 0 "[ . 1 .]" 1
973 1 95 ASP QB 1 98 LEU QD . . 4.480 3.810 2.505 5.117 0.637 9 2 "[- . +1 .]" 1
974 1 96 ASP H 1 96 ASP QB . . 3.250 2.414 2.066 2.663 . 0 0 "[ . 1 .]" 1
975 1 96 ASP H 1 98 LEU QB . . 5.050 4.757 4.445 5.093 0.043 11 0 "[ . 1 .]" 1
976 1 96 ASP HA 1 99 ARG QB . . 3.930 2.719 2.058 4.007 0.077 12 0 "[ . 1 .]" 1
977 1 96 ASP HA 1 99 ARG QD . . 4.500 3.318 2.191 4.546 0.046 3 0 "[ . 1 .]" 1
978 1 96 ASP QB 1 97 LEU H . . 3.650 2.750 2.498 3.103 . 0 0 "[ . 1 .]" 1
979 1 96 ASP QB 1 97 LEU HA . . 4.190 4.092 3.934 4.243 0.053 2 0 "[ . 1 .]" 1
980 1 96 ASP QB 1 97 LEU QB . . 4.180 3.961 3.687 4.218 0.038 5 0 "[ . 1 .]" 1
981 1 96 ASP QB 1 97 LEU QD . . 4.870 4.646 3.981 5.230 0.360 2 0 "[ . 1 .]" 1
982 1 96 ASP QB 1 98 LEU H . . 4.910 4.812 4.599 4.945 0.035 2 0 "[ . 1 .]" 1
983 1 96 ASP QB 1 99 ARG QB . . 5.180 4.336 3.690 5.246 0.066 14 0 "[ . 1 .]" 1
984 1 97 LEU H 1 97 LEU QB . . 3.440 2.217 2.128 2.337 . 0 0 "[ . 1 .]" 1
985 1 97 LEU H 1 97 LEU MD1 . . 4.390 4.209 3.783 4.395 0.005 2 0 "[ . 1 .]" 1
986 1 97 LEU H 1 97 LEU QD . . 3.820 3.709 3.385 3.849 0.029 14 0 "[ . 1 .]" 1
987 1 97 LEU H 1 97 LEU MD2 . . 4.390 4.132 3.727 4.325 . 0 0 "[ . 1 .]" 1
988 1 97 LEU H 1 97 LEU HG . . 4.600 4.281 2.824 4.588 . 0 0 "[ . 1 .]" 1
989 1 97 LEU H 1 98 LEU H . . 3.660 2.544 2.238 2.680 . 0 0 "[ . 1 .]" 1
990 1 97 LEU H 1 98 LEU HA . . 5.500 5.217 4.895 5.330 . 0 0 "[ . 1 .]" 1
991 1 97 LEU HA 1 97 LEU MD1 . . 3.980 2.948 2.123 3.834 . 0 0 "[ . 1 .]" 1
992 1 97 LEU HA 1 97 LEU QD . . 2.970 2.204 2.046 2.988 0.018 2 0 "[ . 1 .]" 1
993 1 97 LEU HA 1 97 LEU MD2 . . 3.980 2.798 2.054 3.886 . 0 0 "[ . 1 .]" 1
994 1 97 LEU HA 1 97 LEU HG . . 4.220 3.411 2.500 3.842 . 0 0 "[ . 1 .]" 1
995 1 97 LEU QD 1 100 SER QB . . 3.480 2.969 2.220 4.097 0.617 2 1 "[ + . 1 .]" 1
996 1 97 LEU QD 1 101 THR H . . 5.090 4.059 3.470 4.854 . 0 0 "[ . 1 .]" 1
997 1 97 LEU MD1 1 98 LEU H . . 5.070 4.052 3.247 4.966 . 0 0 "[ . 1 .]" 1
998 1 97 LEU MD2 1 98 LEU H . . 5.070 4.520 3.194 4.878 . 0 0 "[ . 1 .]" 1
999 1 97 LEU HG 1 98 LEU H . . 5.460 4.535 3.743 5.223 . 0 0 "[ . 1 .]" 1
1000 1 98 LEU H 1 98 LEU HG . . 4.660 4.095 2.285 4.527 . 0 0 "[ . 1 .]" 1
1001 1 98 LEU H 1 99 ARG H . . 4.600 2.885 2.697 3.066 . 0 0 "[ . 1 .]" 1
1002 1 98 LEU HA 1 98 LEU QD . . 3.200 2.212 2.052 2.572 . 0 0 "[ . 1 .]" 1
1003 1 98 LEU HA 1 98 LEU HG . . 3.930 3.189 2.471 3.786 . 0 0 "[ . 1 .]" 1
1004 1 98 LEU QB 1 99 ARG H . . 4.700 2.609 2.303 3.022 . 0 0 "[ . 1 .]" 1
1005 1 99 ARG H 1 99 ARG HG2 . . 4.450 3.895 2.307 4.351 . 0 0 "[ . 1 .]" 1
1006 1 99 ARG H 1 99 ARG QG . . 3.840 3.582 2.269 3.922 0.082 13 0 "[ . 1 .]" 1
1007 1 99 ARG H 1 99 ARG HG3 . . 4.450 4.297 3.359 4.496 0.046 9 0 "[ . 1 .]" 1
1008 1 99 ARG H 1 100 SER H . . 4.490 2.845 2.499 3.038 . 0 0 "[ . 1 .]" 1
1009 1 99 ARG HA 1 99 ARG HG2 . . 3.910 3.425 3.081 3.815 . 0 0 "[ . 1 .]" 1
1010 1 99 ARG HA 1 99 ARG QG . . 3.430 2.747 2.459 3.390 . 0 0 "[ . 1 .]" 1
1011 1 99 ARG HA 1 99 ARG HG3 . . 3.910 2.918 2.536 3.797 . 0 0 "[ . 1 .]" 1
1012 1 99 ARG HA 1 101 THR H . . 4.400 4.181 3.733 4.439 0.039 13 0 "[ . 1 .]" 1
1013 1 99 ARG HA 1 102 ILE H . . 4.490 3.551 2.980 4.022 . 0 0 "[ . 1 .]" 1
1014 1 99 ARG HA 1 102 ILE HB . . 4.510 3.706 2.408 4.542 0.032 9 0 "[ . 1 .]" 1
1015 1 99 ARG HA 1 102 ILE MD . . 4.040 3.129 2.167 4.057 0.017 2 0 "[ . 1 .]" 1
1016 1 99 ARG QB 1 100 SER H . . 4.160 2.807 2.352 3.581 . 0 0 "[ . 1 .]" 1
1017 1 99 ARG QB 1 100 SER QB . . 5.060 4.201 3.685 4.996 . 0 0 "[ . 1 .]" 1
1018 1 99 ARG QD 1 100 SER QB . . 4.990 4.887 4.222 5.071 0.081 3 0 "[ . 1 .]" 1
1019 1 99 ARG QG 1 100 SER QB . . 3.900 3.756 3.156 3.946 0.046 4 0 "[ . 1 .]" 1
1020 1 100 SER H 1 100 SER QB . . 3.440 2.258 2.152 2.580 . 0 0 "[ . 1 .]" 1
1021 1 100 SER H 1 101 THR H . . 4.350 2.794 2.693 2.925 . 0 0 "[ . 1 .]" 1
1022 1 100 SER HA 1 103 THR MG . . 3.870 2.801 2.132 3.599 . 0 0 "[ . 1 .]" 1
1023 1 100 SER QB 1 101 THR H . . 3.700 3.144 2.774 3.679 . 0 0 "[ . 1 .]" 1
1024 1 100 SER QB 1 103 THR MG . . 4.500 4.157 3.177 4.542 0.042 8 0 "[ . 1 .]" 1
1025 1 100 SER HB2 1 101 THR H . . 4.300 4.137 3.288 4.341 0.041 11 0 "[ . 1 .]" 1
1026 1 100 SER HB2 1 103 THR MG . . 5.320 4.597 4.078 5.041 . 0 0 "[ . 1 .]" 1
1027 1 100 SER HB3 1 101 THR H . . 4.300 3.345 2.823 4.197 . 0 0 "[ . 1 .]" 1
1028 1 100 SER HB3 1 103 THR MG . . 5.320 4.833 3.257 5.359 0.039 4 0 "[ . 1 .]" 1
1029 1 101 THR H 1 101 THR HB . . 3.840 3.002 2.622 3.509 . 0 0 "[ . 1 .]" 1
1030 1 101 THR H 1 101 THR MG . . 3.860 3.704 3.325 3.853 . 0 0 "[ . 1 .]" 1
1031 1 101 THR H 1 102 ILE H . . 3.940 2.671 2.402 2.896 . 0 0 "[ . 1 .]" 1
1032 1 101 THR H 1 102 ILE MD . . 5.270 4.849 4.333 5.171 . 0 0 "[ . 1 .]" 1
1033 1 101 THR HA 1 101 THR MG . . 3.010 2.244 2.160 2.325 . 0 0 "[ . 1 .]" 1
1034 1 101 THR HA 1 105 LEU QD . . 4.440 4.080 2.930 4.604 0.164 8 0 "[ . 1 .]" 1
1035 1 101 THR HB 1 102 ILE H . . 4.000 3.018 2.730 3.236 . 0 0 "[ . 1 .]" 1
1036 1 101 THR HB 1 102 ILE HA . . 4.660 3.920 3.667 4.185 . 0 0 "[ . 1 .]" 1
1037 1 101 THR HB 1 102 ILE MD . . 4.900 4.193 3.186 4.949 0.049 7 0 "[ . 1 .]" 1
1038 1 101 THR HB 1 105 LEU HB2 . . 5.160 5.103 4.600 5.254 0.094 1 0 "[ . 1 .]" 1
1039 1 101 THR HB 1 105 LEU MD1 . . 4.220 3.307 2.371 4.069 . 0 0 "[ . 1 .]" 1
1040 1 101 THR HB 1 105 LEU MD2 . . 4.220 4.033 2.979 4.289 0.069 5 0 "[ . 1 .]" 1
1041 1 101 THR MG 1 102 ILE HA . . 4.910 4.339 3.766 4.931 0.022 13 0 "[ . 1 .]" 1
1042 1 101 THR MG 1 105 LEU QD . . 3.170 2.391 1.700 3.253 0.083 13 0 "[ . 1 .]" 1
1043 1 101 THR MG 1 105 LEU HG . . 3.320 2.747 2.159 3.560 0.240 12 0 "[ . 1 .]" 1
1044 1 102 ILE H 1 102 ILE HB . . 3.660 2.610 2.530 2.701 . 0 0 "[ . 1 .]" 1
1045 1 102 ILE H 1 102 ILE MD . . 4.420 3.223 2.829 3.514 . 0 0 "[ . 1 .]" 1
1046 1 102 ILE H 1 102 ILE MG . . 3.990 3.826 3.793 3.865 . 0 0 "[ . 1 .]" 1
1047 1 102 ILE H 1 103 THR H . . 3.800 2.941 2.845 2.996 . 0 0 "[ . 1 .]" 1
1048 1 102 ILE H 1 103 THR MG . . 4.040 4.032 3.914 4.072 0.032 6 0 "[ . 1 .]" 1
1049 1 102 ILE HA 1 102 ILE MD . . 4.310 3.016 2.198 3.953 . 0 0 "[ . 1 .]" 1
1050 1 102 ILE HA 1 102 ILE MG . . 3.490 2.414 2.302 2.485 . 0 0 "[ . 1 .]" 1
1051 1 102 ILE HA 1 103 THR MG . . 5.110 5.083 4.959 5.135 0.025 6 0 "[ . 1 .]" 1
1052 1 102 ILE HA 1 105 LEU HB2 . . 5.030 2.494 2.311 2.784 . 0 0 "[ . 1 .]" 1
1053 1 102 ILE HA 1 105 LEU HB3 . . 4.710 4.104 3.834 4.459 . 0 0 "[ . 1 .]" 1
1054 1 102 ILE HA 1 105 LEU MD1 . . 4.780 2.873 2.216 4.228 . 0 0 "[ . 1 .]" 1
1055 1 102 ILE HA 1 105 LEU QD . . 3.790 2.533 2.212 3.390 . 0 0 "[ . 1 .]" 1
1056 1 102 ILE HA 1 105 LEU MD2 . . 4.780 4.185 2.287 4.791 0.011 5 0 "[ . 1 .]" 1
1057 1 102 ILE HB 1 102 ILE MD . . 3.540 2.867 2.283 3.306 . 0 0 "[ . 1 .]" 1
1058 1 102 ILE HB 1 103 THR H . . 3.900 2.493 2.406 2.593 . 0 0 "[ . 1 .]" 1
1059 1 102 ILE HB 1 103 THR HA . . 4.250 4.312 4.275 4.352 0.102 13 0 "[ . 1 .]" 1
1060 1 102 ILE HB 1 103 THR HB . . 4.330 4.275 4.079 4.363 0.033 14 0 "[ . 1 .]" 1
1061 1 102 ILE MD 1 103 THR H . . 5.500 4.585 4.257 4.828 . 0 0 "[ . 1 .]" 1
1062 1 102 ILE MG 1 103 THR H . . 3.880 3.343 3.187 3.436 . 0 0 "[ . 1 .]" 1
1063 1 102 ILE MG 1 103 THR HA . . 3.680 3.420 3.246 3.532 . 0 0 "[ . 1 .]" 1
1064 1 102 ILE MG 1 103 THR HB . . 4.430 4.329 4.064 4.460 0.030 3 0 "[ . 1 .]" 1
1065 1 102 ILE MG 1 106 GLN H . . 4.520 4.090 3.871 4.241 . 0 0 "[ . 1 .]" 1
1066 1 102 ILE MG 1 106 GLN QB . . 4.210 4.107 3.810 4.275 0.065 4 0 "[ . 1 .]" 1
1067 1 102 ILE MG 1 106 GLN QE . . 3.990 2.778 2.040 4.013 0.023 9 0 "[ . 1 .]" 1
1068 1 102 ILE MG 1 106 GLN HG2 . . 3.790 2.659 2.433 2.955 . 0 0 "[ . 1 .]" 1
1069 1 102 ILE MG 1 106 GLN HG3 . . 3.790 3.470 2.902 3.792 0.002 1 0 "[ . 1 .]" 1
1070 1 103 THR H 1 103 THR HB . . 3.300 2.569 2.443 2.705 . 0 0 "[ . 1 .]" 1
1071 1 103 THR H 1 103 THR MG . . 3.320 2.106 1.950 2.206 . 0 0 "[ . 1 .]" 1
1072 1 103 THR H 1 104 THR H . . 4.000 2.825 2.700 2.922 . 0 0 "[ . 1 .]" 1
1073 1 103 THR HA 1 106 GLN QB . . 3.540 2.863 2.464 3.229 . 0 0 "[ . 1 .]" 1
1074 1 103 THR HA 1 106 GLN QG . . 4.270 3.092 2.382 3.780 . 0 0 "[ . 1 .]" 1
1075 1 103 THR HB 1 104 THR H . . 4.240 4.157 4.023 4.227 . 0 0 "[ . 1 .]" 1
1076 1 103 THR HB 1 106 GLN QB . . 5.390 5.021 4.504 5.384 . 0 0 "[ . 1 .]" 1
1077 1 103 THR MG 1 104 THR H . . 3.320 2.417 2.239 2.599 . 0 0 "[ . 1 .]" 1
1078 1 104 THR H 1 104 THR HB . . 3.460 2.581 2.436 2.727 . 0 0 "[ . 1 .]" 1
1079 1 104 THR H 1 105 LEU H . . 3.530 2.620 2.388 2.781 . 0 0 "[ . 1 .]" 1
1080 1 104 THR HA 1 104 THR MG . . 2.670 2.361 2.285 2.471 . 0 0 "[ . 1 .]" 1
1081 1 104 THR HA 1 105 LEU QD . . 4.960 5.091 4.377 5.508 0.548 13 1 "[ . 1 + .]" 1
1082 1 104 THR HA 1 106 GLN QB . . 5.300 5.176 4.717 5.332 0.032 15 0 "[ . 1 .]" 1
1083 1 104 THR HA 1 107 ASN HB2 . . 4.230 3.696 2.812 4.194 . 0 0 "[ . 1 .]" 1
1084 1 104 THR HA 1 107 ASN HB3 . . 4.190 2.689 2.275 3.038 . 0 0 "[ . 1 .]" 1
1085 1 104 THR HA 1 108 GLN QG . . 4.740 4.512 4.067 4.782 0.042 10 0 "[ . 1 .]" 1
1086 1 104 THR HB 1 105 LEU H . . 3.480 2.622 2.509 2.771 . 0 0 "[ . 1 .]" 1
1087 1 104 THR HB 1 105 LEU HB2 . . 5.420 4.902 4.521 5.163 . 0 0 "[ . 1 .]" 1
1088 1 104 THR HB 1 105 LEU QD . . 3.870 3.558 2.548 4.065 0.195 10 0 "[ . 1 .]" 1
1089 1 104 THR HB 1 105 LEU HG . . 5.500 4.001 3.261 5.552 0.052 3 0 "[ . 1 .]" 1
1090 1 104 THR HB 1 108 GLN QG . . 5.250 4.648 4.185 5.106 . 0 0 "[ . 1 .]" 1
1091 1 104 THR MG 1 105 LEU H . . 4.170 3.586 3.323 3.792 . 0 0 "[ . 1 .]" 1
1092 1 104 THR MG 1 105 LEU HA . . 4.180 3.803 3.464 4.069 . 0 0 "[ . 1 .]" 1
1093 1 104 THR MG 1 105 LEU QD . . 3.930 3.441 2.452 4.030 0.100 7 0 "[ . 1 .]" 1
1094 1 104 THR MG 1 107 ASN HB2 . . 5.390 4.949 4.148 5.361 . 0 0 "[ . 1 .]" 1
1095 1 104 THR MG 1 107 ASN HB3 . . 3.950 3.629 3.162 3.914 . 0 0 "[ . 1 .]" 1
1096 1 104 THR MG 1 107 ASN QD . . 3.780 3.634 3.312 3.798 0.018 3 0 "[ . 1 .]" 1
1097 1 104 THR MG 1 108 GLN QG . . 3.700 2.929 2.272 3.584 . 0 0 "[ . 1 .]" 1
1098 1 105 LEU H 1 105 LEU HB3 . . 3.770 3.587 3.471 3.636 . 0 0 "[ . 1 .]" 1
1099 1 105 LEU H 1 105 LEU MD1 . . 4.270 3.405 2.278 3.987 . 0 0 "[ . 1 .]" 1
1100 1 105 LEU H 1 105 LEU QD . . 3.430 2.918 2.230 3.189 . 0 0 "[ . 1 .]" 1
1101 1 105 LEU H 1 105 LEU MD2 . . 4.270 3.344 2.995 3.662 . 0 0 "[ . 1 .]" 1
1102 1 105 LEU H 1 105 LEU HG . . 4.180 2.702 2.214 4.111 . 0 0 "[ . 1 .]" 1
1103 1 105 LEU H 1 106 GLN H . . 3.720 2.772 2.684 2.894 . 0 0 "[ . 1 .]" 1
1104 1 105 LEU HA 1 105 LEU MD1 . . 4.420 3.530 2.175 3.920 . 0 0 "[ . 1 .]" 1
1105 1 105 LEU HA 1 105 LEU QD . . 2.990 2.191 2.136 2.289 . 0 0 "[ . 1 .]" 1
1106 1 105 LEU HA 1 105 LEU MD2 . . 4.420 2.537 2.147 3.900 . 0 0 "[ . 1 .]" 1
1107 1 105 LEU HA 1 105 LEU HG . . 3.890 3.125 2.825 3.451 . 0 0 "[ . 1 .]" 1
1108 1 105 LEU HA 1 106 GLN QE . . 5.100 4.766 4.148 5.189 0.089 7 0 "[ . 1 .]" 1
1109 1 105 LEU HA 1 108 GLN QG . . 3.470 2.410 2.061 2.973 . 0 0 "[ . 1 .]" 1
1110 1 105 LEU HB2 1 106 GLN H . . 4.100 2.985 2.793 3.240 . 0 0 "[ . 1 .]" 1
1111 1 105 LEU HB2 1 106 GLN QE . . 4.570 2.992 2.108 4.285 . 0 0 "[ . 1 .]" 1
1112 1 105 LEU HB3 1 105 LEU QD . . 3.090 2.205 2.082 2.467 . 0 0 "[ . 1 .]" 1
1113 1 105 LEU HB3 1 106 GLN H . . 4.380 3.824 3.437 4.127 . 0 0 "[ . 1 .]" 1
1114 1 105 LEU QD 1 106 GLN QE . . 4.730 3.783 3.138 4.856 0.126 9 0 "[ . 1 .]" 1
1115 1 105 LEU QD 1 108 GLN QB . . 4.700 4.064 3.069 4.990 0.290 3 0 "[ . 1 .]" 1
1116 1 105 LEU QD 1 108 GLN QE . . 4.850 4.171 2.652 4.677 . 0 0 "[ . 1 .]" 1
1117 1 105 LEU QD 1 108 GLN QG . . 3.710 2.890 2.338 3.372 . 0 0 "[ . 1 .]" 1
1118 1 105 LEU MD1 1 106 GLN H . . 4.970 4.764 4.420 4.989 0.019 6 0 "[ . 1 .]" 1
1119 1 105 LEU MD2 1 106 GLN H . . 4.970 4.809 4.563 4.983 0.013 10 0 "[ . 1 .]" 1
1120 1 106 GLN H 1 106 GLN QB . . 3.510 2.494 2.363 2.569 . 0 0 "[ . 1 .]" 1
1121 1 106 GLN H 1 106 GLN HG2 . . 4.160 2.642 2.349 2.891 . 0 0 "[ . 1 .]" 1
1122 1 106 GLN H 1 106 GLN QG . . 3.570 2.605 2.325 2.837 . 0 0 "[ . 1 .]" 1
1123 1 106 GLN H 1 106 GLN HG3 . . 4.160 3.971 3.717 4.129 . 0 0 "[ . 1 .]" 1
1124 1 106 GLN H 1 107 ASN HB2 . . 5.100 4.859 4.652 5.062 . 0 0 "[ . 1 .]" 1
1125 1 106 GLN HA 1 106 GLN QE . . 4.340 3.234 1.722 3.861 . 0 0 "[ . 1 .]" 1
1126 1 106 GLN HA 1 106 GLN HG2 . . 3.820 3.445 3.052 3.706 . 0 0 "[ . 1 .]" 1
1127 1 106 GLN HA 1 106 GLN QG . . 3.210 3.153 2.928 3.232 0.022 14 0 "[ . 1 .]" 1
1128 1 106 GLN HA 1 106 GLN HG3 . . 3.820 3.694 3.559 3.846 0.026 9 0 "[ . 1 .]" 1
1129 1 106 GLN HA 1 107 ASN HB3 . . 5.500 5.592 5.510 5.656 0.156 8 0 "[ . 1 .]" 1
1130 1 106 GLN QB 1 107 ASN HB2 . . 4.530 4.220 3.824 4.526 . 0 0 "[ . 1 .]" 1
1131 1 107 ASN H 1 107 ASN HB2 . . 3.880 2.863 2.378 3.266 . 0 0 "[ . 1 .]" 1
1132 1 107 ASN HB3 1 107 ASN QD . . 3.330 2.269 2.219 2.371 . 0 0 "[ . 1 .]" 1
1133 1 107 ASN HB3 1 107 ASN HD22 . . 3.920 3.550 3.518 3.578 . 0 0 "[ . 1 .]" 1
1134 1 107 ASN HB3 1 108 GLN H . . 3.800 2.888 2.227 3.379 . 0 0 "[ . 1 .]" 1
1135 1 108 GLN H 1 108 GLN QB . . 3.510 2.531 2.142 3.268 . 0 0 "[ . 1 .]" 1
1136 1 108 GLN H 1 108 GLN QG . . 3.700 2.501 2.220 2.790 . 0 0 "[ . 1 .]" 1
1137 1 108 GLN H 1 109 PRO HD2 . . 4.900 4.864 4.687 4.970 0.070 9 0 "[ . 1 .]" 1
1138 1 108 GLN H 1 109 PRO HD3 . . 5.140 4.959 4.309 5.189 0.049 6 0 "[ . 1 .]" 1
1139 1 108 GLN HA 1 108 GLN QE . . 4.720 3.544 2.462 4.516 . 0 0 "[ . 1 .]" 1
1140 1 108 GLN HA 1 108 GLN QG . . 3.430 2.777 2.158 3.441 0.011 11 0 "[ . 1 .]" 1
1141 1 108 GLN HA 1 109 PRO HD2 . . 2.700 2.483 2.298 2.702 0.002 7 0 "[ . 1 .]" 1
1142 1 108 GLN HA 1 109 PRO HD3 . . 2.940 2.376 2.176 2.623 . 0 0 "[ . 1 .]" 1
1143 1 108 GLN QB 1 109 PRO HD2 . . 3.440 2.275 2.073 2.487 . 0 0 "[ . 1 .]" 1
1144 1 108 GLN QB 1 109 PRO HD3 . . 3.810 3.545 3.344 3.733 . 0 0 "[ . 1 .]" 1
1145 1 108 GLN HB2 1 109 PRO HD2 . . 3.930 3.636 2.085 3.992 0.062 1 0 "[ . 1 .]" 1
1146 1 108 GLN HB3 1 109 PRO HD2 . . 3.930 2.486 2.110 3.674 . 0 0 "[ . 1 .]" 1
1147 1 108 GLN QE 1 109 PRO HD2 . . 5.010 2.772 2.318 3.554 . 0 0 "[ . 1 .]" 1
1148 1 108 GLN QE 1 109 PRO QG . . 4.110 3.766 3.251 4.024 . 0 0 "[ . 1 .]" 1
1149 1 108 GLN HE21 1 109 PRO QG . . 4.840 4.151 3.382 4.839 . 0 0 "[ . 1 .]" 1
1150 1 108 GLN HE22 1 109 PRO QG . . 4.840 4.422 3.843 4.876 0.036 6 0 "[ . 1 .]" 1
1151 1 109 PRO HA 1 110 LYS H . . 3.130 2.271 2.093 3.157 0.027 2 0 "[ . 1 .]" 1
1152 1 109 PRO HD2 1 110 LYS H . . 5.500 5.379 3.384 5.556 0.056 3 0 "[ . 1 .]" 1
1153 1 109 PRO HD3 1 110 LYS H . . 5.500 5.413 4.283 5.572 0.072 9 0 "[ . 1 .]" 1
1154 1 109 PRO QG 1 110 LYS H . . 5.500 4.325 3.540 4.767 . 0 0 "[ . 1 .]" 1
1155 1 110 LYS HA 1 110 LYS QG . . 3.700 2.718 2.259 3.492 . 0 0 "[ . 1 .]" 1
1156 1 110 LYS HA 1 111 SER H . . 3.250 2.482 2.129 3.346 0.096 2 0 "[ . 1 .]" 1
1157 1 111 SER QB 1 112 LYS H . . 4.430 3.105 2.390 3.889 . 0 0 "[ . 1 .]" 1
1158 1 112 LYS HA 1 113 GLU H . . 3.350 2.561 2.068 3.471 0.121 12 0 "[ . 1 .]" 1
1159 1 113 GLU H 1 113 GLU QG . . 4.260 3.303 2.441 4.273 0.013 2 0 "[ . 1 .]" 1
1160 1 113 GLU HA 1 113 GLU QG . . 3.750 2.954 2.318 3.562 . 0 0 "[ . 1 .]" 1
1161 1 113 GLU HA 1 114 ILE H . . 2.570 2.296 2.112 2.491 . 0 0 "[ . 1 .]" 1
1162 1 114 ILE H 1 114 ILE HB . . 3.370 2.245 2.119 2.548 . 0 0 "[ . 1 .]" 1
1163 1 114 ILE H 1 114 ILE HG12 . . 3.840 2.923 2.552 3.447 . 0 0 "[ . 1 .]" 1
1164 1 114 ILE H 1 114 ILE HG13 . . 4.320 3.954 3.616 4.401 0.081 1 0 "[ . 1 .]" 1
1165 1 114 ILE H 1 114 ILE MG . . 4.340 3.660 3.534 3.734 . 0 0 "[ . 1 .]" 1
1166 1 114 ILE H 1 115 PRO HD2 . . 4.970 4.948 4.888 4.995 0.025 2 0 "[ . 1 .]" 1
1167 1 114 ILE H 1 115 PRO HD3 . . 4.980 4.943 4.767 5.020 0.040 14 0 "[ . 1 .]" 1
1168 1 114 ILE HA 1 114 ILE MD . . 3.990 2.100 2.040 2.170 . 0 0 "[ . 1 .]" 1
1169 1 114 ILE HA 1 114 ILE HG12 . . 3.610 2.672 2.584 2.747 . 0 0 "[ . 1 .]" 1
1170 1 114 ILE HA 1 114 ILE HG13 . . 3.670 3.624 3.604 3.654 . 0 0 "[ . 1 .]" 1
1171 1 114 ILE HA 1 114 ILE MG . . 3.060 2.825 2.780 2.886 . 0 0 "[ . 1 .]" 1
1172 1 114 ILE HA 1 115 PRO HD2 . . 2.970 2.318 2.248 2.371 . 0 0 "[ . 1 .]" 1
1173 1 114 ILE HA 1 115 PRO HD3 . . 2.830 2.306 2.259 2.384 . 0 0 "[ . 1 .]" 1
1174 1 114 ILE HB 1 114 ILE MD . . 3.680 3.299 3.288 3.314 . 0 0 "[ . 1 .]" 1
1175 1 114 ILE HB 1 115 PRO HD2 . . 4.280 4.239 4.162 4.285 0.005 15 0 "[ . 1 .]" 1
1176 1 114 ILE MD 1 115 PRO HD2 . . 4.590 2.294 2.208 2.347 . 0 0 "[ . 1 .]" 1
1177 1 114 ILE MD 1 115 PRO HD3 . . 4.260 3.028 2.943 3.098 . 0 0 "[ . 1 .]" 1
1178 1 114 ILE MD 1 115 PRO QG . . 3.710 3.715 3.577 3.745 0.035 12 0 "[ . 1 .]" 1
1179 1 114 ILE HG12 1 115 PRO HD2 . . 4.650 4.268 4.159 4.357 . 0 0 "[ . 1 .]" 1
1180 1 114 ILE HG12 1 115 PRO HD3 . . 4.910 4.825 4.712 4.918 0.008 7 0 "[ . 1 .]" 1
1181 1 114 ILE HG13 1 115 PRO HD2 . . 4.660 4.432 4.300 4.497 . 0 0 "[ . 1 .]" 1
1182 1 114 ILE HG13 1 115 PRO HD3 . . 5.500 5.542 5.513 5.572 0.072 1 0 "[ . 1 .]" 1
1183 1 114 ILE MG 1 115 PRO QB . . 4.310 4.276 4.142 4.332 0.022 7 0 "[ . 1 .]" 1
1184 1 114 ILE MG 1 115 PRO HD2 . . 3.550 2.126 2.065 2.173 . 0 0 "[ . 1 .]" 1
1185 1 114 ILE MG 1 115 PRO HD3 . . 3.970 3.559 3.519 3.596 . 0 0 "[ . 1 .]" 1
1186 1 114 ILE MG 1 116 GLY QA . . 3.970 3.489 2.840 4.026 0.056 14 0 "[ . 1 .]" 1
1187 1 114 ILE MG 1 117 SER QB . . 3.760 3.458 2.098 3.813 0.053 7 0 "[ . 1 .]" 1
1188 1 117 SER QB 1 118 ILE H . . 3.960 2.654 1.847 3.391 . 0 0 "[ . 1 .]" 1
1189 1 117 SER QB 1 118 ILE HB . . 4.040 3.967 3.603 4.097 0.057 15 0 "[ . 1 .]" 1
1190 1 117 SER QB 1 118 ILE HG12 . . 4.300 2.866 2.432 4.140 . 0 0 "[ . 1 .]" 1
1191 1 117 SER QB 1 118 ILE HG13 . . 4.300 4.159 2.838 4.367 0.067 2 0 "[ . 1 .]" 1
1192 1 118 ILE H 1 118 ILE HB . . 3.700 2.934 2.313 3.622 . 0 0 "[ . 1 .]" 1
1193 1 118 ILE H 1 118 ILE QG . . 4.470 2.711 1.926 3.235 . 0 0 "[ . 1 .]" 1
1194 1 118 ILE H 1 118 ILE MG . . 4.100 3.897 3.746 4.094 . 0 0 "[ . 1 .]" 1
1195 1 118 ILE HA 1 118 ILE MD . . 3.500 2.278 2.147 3.588 0.088 8 0 "[ . 1 .]" 1
1196 1 118 ILE HA 1 118 ILE HG12 . . 3.720 3.069 2.182 3.288 . 0 0 "[ . 1 .]" 1
1197 1 118 ILE HA 1 118 ILE QG . . 3.250 2.927 2.136 3.095 . 0 0 "[ . 1 .]" 1
1198 1 118 ILE HA 1 118 ILE HG13 . . 3.720 3.706 3.031 3.773 0.053 1 0 "[ . 1 .]" 1
1199 1 118 ILE HA 1 118 ILE MG . . 3.180 2.441 2.349 2.542 . 0 0 "[ . 1 .]" 1
1200 1 118 ILE HA 1 119 ARG H . . 3.170 2.177 2.098 2.277 . 0 0 "[ . 1 .]" 1
1201 1 118 ILE HA 1 119 ARG QD . . 4.230 3.476 2.793 4.259 0.029 8 0 "[ . 1 .]" 1
1202 1 118 ILE HB 1 119 ARG QD . . 5.500 5.173 4.501 5.555 0.055 4 0 "[ . 1 .]" 1
1203 1 118 ILE MD 1 119 ARG QD . . 5.450 4.517 3.753 5.374 . 0 0 "[ . 1 .]" 1
1204 1 118 ILE MG 1 119 ARG H . . 3.900 2.554 2.089 3.468 . 0 0 "[ . 1 .]" 1
1205 1 118 ILE MG 1 119 ARG HA . . 4.020 3.675 3.296 4.055 0.035 8 0 "[ . 1 .]" 1
1206 1 118 ILE MG 1 119 ARG QD . . 4.470 3.836 2.235 4.532 0.062 7 0 "[ . 1 .]" 1
1207 1 118 ILE MG 1 120 ASP QB . . 5.500 4.729 2.842 5.528 0.028 3 0 "[ . 1 .]" 1
1208 1 119 ARG H 1 119 ARG HB2 . . 4.130 3.559 2.590 4.119 . 0 0 "[ . 1 .]" 1
1209 1 119 ARG H 1 119 ARG QB . . 3.540 2.968 2.546 3.362 . 0 0 "[ . 1 .]" 1
1210 1 119 ARG H 1 119 ARG HB3 . . 4.130 3.401 2.788 3.856 . 0 0 "[ . 1 .]" 1
1211 1 119 ARG H 1 119 ARG QD . . 4.840 2.444 1.714 3.284 . 0 0 "[ . 1 .]" 1
1212 1 119 ARG H 1 119 ARG QG . . 4.430 3.029 1.906 3.820 . 0 0 "[ . 1 .]" 1
1213 1 119 ARG HA 1 119 ARG QD . . 3.850 3.530 2.261 3.887 0.037 11 0 "[ . 1 .]" 1
1214 1 119 ARG HA 1 119 ARG QG . . 3.540 3.329 2.384 3.549 0.009 5 0 "[ . 1 .]" 1
1215 1 119 ARG HA 1 120 ASP H . . 3.370 2.365 2.142 3.421 0.051 1 0 "[ . 1 .]" 1
1216 1 119 ARG QB 1 120 ASP H . . 4.250 2.604 2.174 3.241 . 0 0 "[ . 1 .]" 1
1217 1 120 ASP H 1 120 ASP QB . . 3.840 2.568 2.193 3.245 . 0 0 "[ . 1 .]" 1
1218 1 120 ASP HA 1 120 ASP QB . . 2.690 2.329 2.143 2.464 . 0 0 "[ . 1 .]" 1
1219 1 120 ASP HA 1 121 HIS QB . . 4.590 4.185 3.851 4.640 0.050 2 0 "[ . 1 .]" 1
1220 1 120 ASP QB 1 121 HIS H . . 4.000 3.243 2.423 4.044 0.044 2 0 "[ . 1 .]" 1
1221 1 120 ASP QB 1 121 HIS QB . . 5.000 4.757 4.347 5.054 0.054 10 0 "[ . 1 .]" 1
1222 1 121 HIS H 1 122 GLU HA . . 4.550 4.554 4.352 4.644 0.094 3 0 "[ . 1 .]" 1
1223 1 121 HIS HA 1 121 HIS QB . . 2.610 2.331 2.146 2.484 . 0 0 "[ . 1 .]" 1
1224 1 121 HIS HA 1 121 HIS HD2 . . 4.460 3.800 2.356 4.480 0.020 13 0 "[ . 1 .]" 1
1225 1 121 HIS HA 1 122 GLU H . . 3.520 2.551 1.987 3.556 0.036 6 0 "[ . 1 .]" 1
1226 1 122 GLU H 1 122 GLU QG . . 4.540 3.027 2.053 4.268 . 0 0 "[ . 1 .]" 1
1227 1 122 GLU HA 1 122 GLU QG . . 3.870 3.000 2.274 3.536 . 0 0 "[ . 1 .]" 1
1228 1 122 GLU HA 1 123 GLU H . . 2.950 2.349 2.125 2.987 0.037 14 0 "[ . 1 .]" 1
1229 1 122 GLU QB 1 123 GLU H . . 4.170 3.022 2.111 4.078 . 0 0 "[ . 1 .]" 1
1230 1 123 GLU H 1 123 GLU QG . . 4.120 3.240 2.310 4.137 0.017 8 0 "[ . 1 .]" 1
1231 1 123 GLU QB 1 124 GLY H . . 4.290 3.088 2.340 3.887 . 0 0 "[ . 1 .]" 1
1232 1 124 GLY QA 1 125 ALA MB . . 4.920 3.836 3.532 4.292 . 0 0 "[ . 1 .]" 1
1233 1 125 ALA MB 1 126 GLY QA . . 4.910 3.878 3.345 4.245 . 0 0 "[ . 1 .]" 1
1234 1 126 GLY QA 1 128 LEU H . . 3.810 3.462 3.163 3.840 0.030 9 0 "[ . 1 .]" 1
1235 1 126 GLY QA 1 128 LEU QB . . 5.100 4.477 3.819 5.110 0.010 15 0 "[ . 1 .]" 1
1236 1 126 GLY QA 1 128 LEU QD . . 3.810 3.240 2.217 4.609 0.799 8 2 "[ . + 1 -]" 1
1237 1 126 GLY QA 1 128 LEU HG . . 5.500 4.332 3.048 5.481 . 0 0 "[ . 1 .]" 1
1238 1 127 GLY QA 1 128 LEU H . . 3.270 2.854 2.415 2.985 . 0 0 "[ . 1 .]" 1
1239 1 127 GLY QA 1 128 LEU QB . . 5.500 4.515 4.008 4.792 . 0 0 "[ . 1 .]" 1
1240 1 128 LEU H 1 128 LEU QB . . 3.310 2.552 2.277 3.024 . 0 0 "[ . 1 .]" 1
1241 1 128 LEU H 1 128 LEU HG . . 4.210 2.950 2.186 4.058 . 0 0 "[ . 1 .]" 1
1242 1 128 LEU HA 1 128 LEU QD . . 3.380 2.732 2.109 3.472 0.092 9 0 "[ . 1 .]" 1
1243 1 128 LEU QB 1 128 LEU QD . . 2.830 1.965 1.899 2.093 . 0 0 "[ . 1 .]" 1
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