NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
501066 |
2l4t   |
17255 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4t
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 1404
_Distance_constraint_stats_list.Viol_count 6233
_Distance_constraint_stats_list.Viol_total 21876.492
_Distance_constraint_stats_list.Viol_max 2.642
_Distance_constraint_stats_list.Viol_rms 0.1231
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0390
_Distance_constraint_stats_list.Viol_average_violations_only 0.1755
_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 TYR 0.889 0.324 4 0 "[ . 1 . 2]"
1 4 ILE 4.299 0.324 4 0 "[ . 1 . 2]"
1 5 PRO 3.288 0.313 17 0 "[ . 1 . 2]"
1 6 GLY 1.113 0.229 2 0 "[ . 1 . 2]"
1 7 GLN 7.555 0.643 16 8 "[* . **-* *.+* 2]"
1 8 PRO 0.731 0.082 6 0 "[ . 1 . 2]"
1 9 VAL 12.799 0.452 4 0 "[ . 1 . 2]"
1 10 THR 23.783 0.674 5 10 "[*** + *-* * *. * 2]"
1 11 ALA 22.474 0.674 5 10 "[*** + *-* * *. * 2]"
1 12 VAL 28.299 2.021 14 10 "[* * ** -* +** *]"
1 13 VAL 18.979 0.976 6 10 "[* * *+ -* *** *]"
1 14 GLN 24.525 0.814 5 7 "[* * +- 1 *.* *]"
1 15 ARG 25.112 0.699 20 2 "[ - . 1 . +]"
1 16 VAL 17.190 0.698 20 1 "[ . 1 . +]"
1 17 GLU 11.911 0.289 5 0 "[ . 1 . 2]"
1 18 ILE 24.201 2.642 11 2 "[ . -1+ . 2]"
1 19 HIS 21.509 2.003 11 8 "[ * * *-1+ * * *]"
1 20 LYS 7.702 1.401 6 1 "[ .+ 1 . 2]"
1 21 LEU 7.964 0.477 1 0 "[ . 1 . 2]"
1 22 ARG 10.819 0.433 12 0 "[ . 1 . 2]"
1 23 GLN 22.848 0.539 8 1 "[ . + 1 . 2]"
1 24 GLY 14.269 0.898 8 3 "[ . + 1 * *]"
1 25 GLU 10.523 0.510 5 2 "[ + 1 . - 2]"
1 26 ASN 58.444 0.898 8 5 "[ * + 1 * - *]"
1 27 LEU 32.108 0.461 15 0 "[ . 1 . 2]"
1 28 ILE 30.599 1.837 13 3 "[ .* 1 + . - 2]"
1 29 LEU 2.697 0.436 6 0 "[ . 1 . 2]"
1 30 GLY 10.529 1.837 13 2 "[ . 1 + . - 2]"
1 31 PHE 9.584 0.446 19 0 "[ . 1 . 2]"
1 32 SER 13.389 2.195 10 1 "[ . + . 2]"
1 33 ILE 18.222 0.994 18 2 "[ . 1 . -+ 2]"
1 34 GLY 7.964 0.930 19 1 "[ . 1 . +2]"
1 35 GLY 3.777 0.917 10 3 "[* . + . -]"
1 36 GLY 8.047 1.472 16 5 "[ .-* 1 .+ **]"
1 37 ILE 19.380 1.437 7 1 "[ . + 1 . 2]"
1 38 ASP 7.434 1.196 19 1 "[ . 1 . +2]"
1 39 GLN 20.748 1.472 16 5 "[* . * * .+ -]"
1 40 ASP 17.985 1.783 5 3 "[ + 1 - * 2]"
1 41 PRO 8.104 0.590 15 1 "[ . 1 + 2]"
1 42 SER 10.083 0.699 9 1 "[ . +1 . 2]"
1 43 GLN 25.642 1.837 6 10 "[**-**+ *1* . * *]"
1 44 ASN 18.079 1.722 4 6 "[* +. * 1* - . *]"
1 45 PRO 7.396 0.695 4 1 "[ +. 1 . 2]"
1 46 PHE 5.566 0.695 4 1 "[ +. 1 . 2]"
1 47 SER 9.141 1.151 19 1 "[ . 1 . +2]"
1 48 GLU 11.137 2.061 14 6 "[ * . * - +. **2]"
1 49 ASP 1.864 0.204 18 0 "[ . 1 . 2]"
1 50 LYS 9.529 0.694 9 1 "[ . +1 . 2]"
1 51 THR 5.278 0.694 9 1 "[ . +1 . 2]"
1 52 ASP 12.844 2.061 14 1 "[ . 1 +. 2]"
1 53 LYS 7.395 0.638 5 1 "[ + 1 . 2]"
1 54 GLY 8.195 0.686 20 3 "[ -* 1 . +]"
1 55 ILE 11.282 0.384 12 0 "[ . 1 . 2]"
1 56 TYR 5.305 0.987 1 2 "[+ .- 1 . 2]"
1 57 VAL 40.994 1.469 6 14 "[* * .+* *-* **** ***]"
1 58 THR 3.861 0.930 19 1 "[ . 1 . +2]"
1 59 ARG 11.646 0.383 9 0 "[ . 1 . 2]"
1 60 VAL 8.447 0.392 14 0 "[ . 1 . 2]"
1 61 SER 16.817 0.591 8 6 "[ -* . + 1 ** *]"
1 62 GLU 27.166 0.591 8 6 "[ -* . + 1 ** *]"
1 63 GLY 13.133 0.371 14 0 "[ . 1 . 2]"
1 64 GLY 12.924 0.666 15 1 "[ . 1 + 2]"
1 65 PRO 17.575 0.634 6 2 "[ .+ 1 -. 2]"
1 66 ALA 27.041 1.340 9 2 "[ . +1 - 2]"
1 67 GLU 36.101 0.771 8 15 "[ * .**+****-***** *]"
1 68 ILE 52.774 0.771 8 15 "[ * .**+****-***** *]"
1 69 ALA 25.604 1.973 11 1 "[ . 1+ . 2]"
1 70 GLY 9.989 0.396 14 0 "[ . 1 . 2]"
1 71 LEU 28.203 1.307 6 5 "[ .+ * * - *2]"
1 72 GLN 31.404 1.307 6 5 "[ .+ * * - *2]"
1 73 ILE 39.821 1.469 6 14 "[* - .+* *** **** ***]"
1 74 GLY 15.476 0.514 10 1 "[ . + . 2]"
1 75 ASP 5.423 0.259 19 0 "[ . 1 . 2]"
1 76 LYS 9.950 0.282 14 0 "[ . 1 . 2]"
1 77 ILE 9.861 0.987 1 2 "[+ .- 1 . 2]"
1 78 MET 16.315 1.746 7 3 "[ . + - * . 2]"
1 79 GLN 53.363 1.746 7 20 [******+-************]
1 80 VAL 37.648 1.109 17 19 "[****** *****-***+***]"
1 81 ASN 5.960 0.327 6 0 "[ . 1 . 2]"
1 82 GLY 16.504 1.281 4 6 "[ +. **1 *. -*2]"
1 83 TRP 42.693 1.736 14 19 "[******* *****+****-*]"
1 84 ASP 10.930 1.527 13 3 "[ . * + . - 2]"
1 85 MET 26.996 1.741 8 5 "[ . + * * .* -2]"
1 86 THR 7.119 0.527 19 1 "[ . 1 . +2]"
1 87 MET 4.361 0.271 10 0 "[ . 1 . 2]"
1 88 VAL 5.526 0.453 17 0 "[ . 1 . 2]"
1 89 THR 33.710 1.631 12 9 "[ **** 1 +- .*** 2]"
1 90 HIS 9.601 1.145 18 1 "[ . 1 . + 2]"
1 91 ASP 13.156 1.318 12 2 "[ . 1 +- . 2]"
1 92 GLN 25.759 1.631 12 10 "[ **** * +- .*** 2]"
1 93 ALA 13.848 1.145 18 1 "[ . 1 . + 2]"
1 94 ARG 12.145 1.318 12 1 "[ . 1 + . 2]"
1 95 LYS 1.076 0.216 17 0 "[ . 1 . 2]"
1 96 ARG 2.641 0.395 9 0 "[ . 1 . 2]"
1 97 LEU 12.781 1.741 8 2 "[ . + - . 2]"
1 98 THR 3.389 0.188 16 0 "[ . 1 . 2]"
1 99 LYS 17.235 0.507 11 1 "[ . 1+ . 2]"
1 100 ARG 10.832 0.507 11 1 "[ . 1+ . 2]"
1 101 SER 9.827 0.371 18 0 "[ . 1 . 2]"
1 102 GLU 19.601 0.694 11 1 "[ . 1+ . 2]"
1 103 GLU 29.147 1.488 16 11 "[ ** .-* 1* **.+ ***]"
1 104 VAL 25.232 1.488 16 10 "[ ** .-* 1 **.+ ***]"
1 105 VAL 9.865 2.642 11 1 "[ . 1+ . 2]"
1 106 ARG 7.476 0.896 9 1 "[ . +1 . 2]"
1 107 LEU 14.850 0.596 17 1 "[ . 1 . + 2]"
1 108 LEU 19.678 0.654 3 4 "[ + * - 1 . * 2]"
1 109 VAL 25.195 0.708 20 12 "[** *-****1 * *. * +]"
1 110 THR 33.217 0.643 20 12 "[** *-****1 * *. * +]"
1 111 ARG 16.941 0.846 8 2 "[ . + 1 - . 2]"
1 112 GLN 30.072 1.694 20 20 [**********-********+]
1 113 SER 45.259 2.021 14 20 [**********-**+******]
1 114 LEU 25.370 0.910 18 5 "[ . **1 - . + *]"
1 115 GLN 24.919 0.763 8 11 "[* . *+*1 -* **** *]"
1 116 LYS 8.426 0.691 5 4 "[ *+ *1 - . 2]"
1 117 ALA 9.796 0.691 5 2 "[ -+ 1 . 2]"
1 118 VAL 7.935 0.413 5 0 "[ . 1 . 2]"
1 119 GLN 5.719 0.586 16 2 "[ .- 1 .+ 2]"
1 120 GLN 4.349 0.591 9 1 "[ . +1 . 2]"
1 121 SER 0.535 0.213 10 0 "[ . 1 . 2]"
1 122 MET 0.014 0.014 17 0 "[ . 1 . 2]"
1 123 LEU 3.028 0.768 10 4 "[ *. + . * -]"
1 124 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 LYS 12.346 1.837 6 5 "[ *.+ * 1 - . *]"
2 2 GLU 5.943 0.741 4 4 "[**-+. 1 . 2]"
2 3 ASN 5.022 0.447 7 0 "[ . 1 . 2]"
2 4 LEU 7.331 0.447 7 0 "[ . 1 . 2]"
2 5 GLU 3.472 0.224 18 0 "[ . 1 . 2]"
2 6 SER 4.974 0.994 18 2 "[ . 1 . -+ 2]"
2 7 MET 2.769 2.195 10 1 "[ . + . 2]"
2 8 VAL 0.997 0.256 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 GLY H 2 8 VAL QG 4.140 . 4.140 3.867 3.046 4.114 . 0 0 "[ . 1 . 2]" 1
2 1 32 SER HA 2 7 MET HA 4.110 . 4.110 2.159 1.728 4.185 0.075 10 0 "[ . 1 . 2]" 1
3 1 32 SER HA 2 7 MET QB 4.690 . 4.690 3.385 2.095 4.027 . 0 0 "[ . 1 . 2]" 1
4 1 32 SER QB 2 7 MET ME 3.960 . 3.960 3.580 2.262 6.155 2.195 10 1 "[ . + . 2]" 1
5 1 33 ILE H 2 6 SER H 3.940 . 3.940 2.495 1.921 3.650 . 0 0 "[ . 1 . 2]" 1
6 1 33 ILE MD 2 4 LEU QD 4.890 . 4.890 4.978 4.492 5.179 0.289 19 0 "[ . 1 . 2]" 1
7 1 33 ILE H 2 5 GLU QB 4.050 . 4.050 3.856 3.121 4.109 0.059 10 0 "[ . 1 . 2]" 1
8 1 33 ILE H 2 5 GLU QG 4.000 . 4.000 4.013 3.188 4.224 0.224 18 0 "[ . 1 . 2]" 1
9 1 33 ILE H 2 6 SER QB 3.760 . 3.760 3.897 3.359 4.754 0.994 18 2 "[ . 1 . -+ 2]" 1
10 1 33 ILE MD 2 6 SER QB 3.890 . 3.890 3.239 2.093 4.120 0.230 17 0 "[ . 1 . 2]" 1
11 1 42 SER H 2 1 LYS QG 4.000 . 4.000 3.928 1.758 4.355 0.355 16 0 "[ . 1 . 2]" 1
12 1 43 GLN H 2 1 LYS QB 4.050 . 4.050 4.044 3.078 5.887 1.837 6 1 "[ .+ 1 . 2]" 1
13 1 43 GLN QE 2 2 GLU HA . . 3.390 2.477 1.918 3.288 . 0 0 "[ . 1 . 2]" 1
14 1 43 GLN QE 2 2 GLU HB2 4.020 . 4.020 4.024 1.450 4.761 0.741 4 4 "[**-+. 1 . 2]" 1
15 1 44 ASN H 2 1 LYS QG 4.050 . 4.050 4.062 1.892 5.772 1.722 4 4 "[ +. * 1 - . *]" 1
16 1 94 ARG QG 2 6 SER QB 4.520 . 4.520 3.941 2.713 4.436 . 0 0 "[ . 1 . 2]" 1
17 1 97 LEU QD 2 8 VAL HB 4.380 . 4.380 3.028 2.095 4.411 0.031 20 0 "[ . 1 . 2]" 1
18 1 98 THR MG 2 8 VAL HB 3.710 . 3.710 3.058 1.863 3.854 0.144 20 0 "[ . 1 . 2]" 1
19 1 98 THR MG 2 8 VAL QG 3.680 . 3.680 2.752 2.025 3.484 . 0 0 "[ . 1 . 2]" 1
20 1 3 TYR H 1 3 TYR HB2 4.380 . 4.380 3.154 2.539 3.988 . 0 0 "[ . 1 . 2]" 1
21 1 3 TYR H 1 3 TYR HB3 4.380 . 4.380 3.496 2.337 4.147 . 0 0 "[ . 1 . 2]" 1
22 1 3 TYR HA 1 4 ILE H . . 3.070 2.390 2.095 3.394 0.324 4 0 "[ . 1 . 2]" 1
23 1 3 TYR HB2 1 4 ILE H 4.400 . 4.400 3.878 2.668 4.477 0.077 5 0 "[ . 1 . 2]" 1
24 1 3 TYR HB3 1 4 ILE H 4.370 . 4.370 3.536 1.944 4.511 0.141 16 0 "[ . 1 . 2]" 1
25 1 3 TYR QD 1 4 ILE H 4.530 . 4.530 3.805 2.678 4.622 0.092 5 0 "[ . 1 . 2]" 1
26 1 4 ILE H 1 4 ILE HB . . 3.510 3.044 2.677 3.681 0.171 19 0 "[ . 1 . 2]" 1
27 1 4 ILE H 1 4 ILE HG12 4.040 . 4.040 3.586 2.599 4.079 0.039 14 0 "[ . 1 . 2]" 1
28 1 4 ILE H 1 4 ILE HG13 4.150 . 4.150 3.075 2.522 4.261 0.111 4 0 "[ . 1 . 2]" 1
29 1 4 ILE H 1 4 ILE MG 4.200 . 4.200 3.921 3.731 4.071 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE HA 1 4 ILE HG13 4.100 . 4.100 3.234 2.972 3.791 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE HG12 1 4 ILE MG . . 3.080 2.542 2.230 3.206 0.126 17 0 "[ . 1 . 2]" 1
32 1 4 ILE H 1 5 PRO HD3 4.710 . 4.710 3.388 2.425 3.832 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE H 1 5 PRO HG3 4.820 . 4.820 4.752 4.057 4.950 0.130 20 0 "[ . 1 . 2]" 1
34 1 4 ILE HA 1 5 PRO HD3 . . 3.030 2.007 1.824 2.305 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE MG 1 5 PRO HD2 4.650 . 4.650 3.379 3.065 3.811 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE MG 1 5 PRO HD3 . . 3.810 3.774 3.512 4.123 0.313 17 0 "[ . 1 . 2]" 1
37 1 4 ILE HB 1 7 GLN H 4.540 . 4.540 4.309 3.815 4.732 0.192 19 0 "[ . 1 . 2]" 1
38 1 4 ILE MG 1 7 GLN H 4.340 . 4.340 3.072 2.270 4.373 0.033 18 0 "[ . 1 . 2]" 1
39 1 5 PRO HA 1 6 GLY H 2.950 . 2.950 2.392 2.131 3.179 0.229 2 0 "[ . 1 . 2]" 1
40 1 5 PRO HB2 1 6 GLY H 4.130 . 4.130 3.762 1.751 4.200 0.070 15 0 "[ . 1 . 2]" 1
41 1 5 PRO HB3 1 6 GLY H 4.490 . 4.490 3.845 2.498 4.613 0.123 11 0 "[ . 1 . 2]" 1
42 1 5 PRO HA 1 7 GLN H 4.180 . 4.180 3.919 3.389 4.352 0.172 19 0 "[ . 1 . 2]" 1
43 1 6 GLY H 1 7 GLN H . . 3.630 2.545 1.987 3.685 0.055 19 0 "[ . 1 . 2]" 1
44 1 6 GLY QA 1 7 GLN H . . 3.310 2.717 2.438 2.908 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLY QA 1 7 GLN QG 4.080 . 4.080 3.661 3.090 3.997 . 0 0 "[ . 1 . 2]" 1
46 1 7 GLN H 1 7 GLN HB2 . . 3.530 3.063 2.379 3.791 0.261 18 0 "[ . 1 . 2]" 1
47 1 7 GLN H 1 7 GLN HB3 . . 3.120 3.208 2.546 3.763 0.643 16 8 "[* . **-* *.+* 2]" 1
48 1 7 GLN H 1 7 GLN QG . . 3.530 2.436 1.770 3.235 0.030 15 0 "[ . 1 . 2]" 1
49 1 7 GLN HA 1 7 GLN QG 3.940 . 3.940 2.909 2.257 3.421 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLN HB2 1 7 GLN QG . . 2.730 2.312 2.164 2.463 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLN HB3 1 7 GLN QG 2.760 . 2.760 2.348 2.142 2.419 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLN H 1 8 PRO HD3 4.590 . 4.590 4.126 3.143 4.672 0.082 6 0 "[ . 1 . 2]" 1
53 1 7 GLN HA 1 8 PRO HD2 3.480 . 3.480 2.566 1.854 2.932 . 0 0 "[ . 1 . 2]" 1
54 1 7 GLN HA 1 8 PRO HD3 3.490 . 3.490 2.019 1.767 2.655 0.033 7 0 "[ . 1 . 2]" 1
55 1 8 PRO HB2 1 8 PRO HD2 . . 4.100 3.389 2.913 4.049 . 0 0 "[ . 1 . 2]" 1
56 1 8 PRO HB2 1 8 PRO HD3 4.210 . 4.210 3.974 3.865 4.116 . 0 0 "[ . 1 . 2]" 1
57 1 8 PRO HA 1 9 VAL H . . 2.570 2.377 2.128 2.644 0.074 17 0 "[ . 1 . 2]" 1
58 1 8 PRO HB2 1 9 VAL H . . 3.860 2.935 1.874 3.787 . 0 0 "[ . 1 . 2]" 1
59 1 8 PRO HB3 1 9 VAL H 3.810 . 3.810 3.337 2.718 3.879 0.069 16 0 "[ . 1 . 2]" 1
60 1 9 VAL H 1 9 VAL HB 3.090 . 3.090 2.768 2.367 3.489 0.399 6 0 "[ . 1 . 2]" 1
61 1 9 VAL H 1 9 VAL QG . . 2.990 2.297 1.636 3.104 0.164 14 0 "[ . 1 . 2]" 1
62 1 9 VAL HA 1 9 VAL QG . . 3.220 2.220 2.085 2.286 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL HA 1 10 THR H . . 2.790 2.609 2.064 3.162 0.372 18 0 "[ . 1 . 2]" 1
64 1 9 VAL HA 1 10 THR MG 2.910 . 2.910 3.136 3.065 3.221 0.311 18 0 "[ . 1 . 2]" 1
65 1 9 VAL HB 1 10 THR H 3.680 . 3.680 3.668 2.006 4.050 0.370 12 0 "[ . 1 . 2]" 1
66 1 9 VAL QG 1 10 THR H 3.420 . 3.420 1.947 1.348 3.071 0.452 4 0 "[ . 1 . 2]" 1
67 1 9 VAL QG 1 11 ALA H 3.810 . 3.810 3.221 1.974 3.928 0.118 11 0 "[ . 1 . 2]" 1
68 1 9 VAL QG 1 112 GLN QE 4.380 . 4.380 3.165 2.136 3.936 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR H 1 10 THR HB 4.350 . 4.350 3.729 3.558 4.080 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR H 1 10 THR MG 3.910 . 3.910 2.554 2.188 3.049 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR HA 1 10 THR MG . . 2.850 2.350 2.248 2.478 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR H 1 11 ALA H 3.470 . 3.470 3.164 1.956 3.892 0.422 7 0 "[ . 1 . 2]" 1
73 1 10 THR HA 1 11 ALA H . . 2.800 2.953 1.952 3.474 0.674 5 10 "[*** + *-* * *. * 2]" 1
74 1 10 THR HB 1 11 ALA H . . 3.390 3.060 1.946 3.633 0.243 6 0 "[ . 1 . 2]" 1
75 1 10 THR MG 1 11 ALA H . . 3.710 3.665 3.416 4.017 0.307 18 0 "[ . 1 . 2]" 1
76 1 11 ALA H 1 11 ALA MB . . 2.990 2.674 2.205 2.899 . 0 0 "[ . 1 . 2]" 1
77 1 11 ALA H 1 12 VAL H 3.990 . 3.990 4.031 3.761 4.403 0.413 18 0 "[ . 1 . 2]" 1
78 1 11 ALA HA 1 12 VAL H . . 2.830 2.054 1.962 2.134 . 0 0 "[ . 1 . 2]" 1
79 1 11 ALA HA 1 12 VAL HB 4.360 . 4.360 4.592 4.443 4.681 0.321 10 0 "[ . 1 . 2]" 1
80 1 11 ALA MB 1 12 VAL H . . 3.440 3.094 2.602 3.429 . 0 0 "[ . 1 . 2]" 1
81 1 11 ALA MB 1 12 VAL HA 4.420 . 4.420 4.207 3.929 4.493 0.073 6 0 "[ . 1 . 2]" 1
82 1 11 ALA MB 1 13 VAL H 4.630 . 4.630 4.717 4.306 4.951 0.321 18 0 "[ . 1 . 2]" 1
83 1 11 ALA MB 1 110 THR MG 3.170 . 3.170 2.316 1.718 2.848 0.082 17 0 "[ . 1 . 2]" 1
84 1 11 ALA MB 1 111 ARG H . . 4.440 4.260 3.801 4.480 0.040 4 0 "[ . 1 . 2]" 1
85 1 11 ALA MB 1 112 GLN QE 4.510 . 4.510 3.193 2.159 3.922 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL H 1 12 VAL HB . . 3.070 2.617 2.450 2.928 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL H 1 12 VAL QG 3.350 . 3.350 2.147 1.830 2.898 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL HA 1 12 VAL QG 3.130 . 3.130 2.150 2.115 2.305 . 0 0 "[ . 1 . 2]" 1
89 1 12 VAL HA 1 13 VAL H . . 2.750 2.144 2.023 2.234 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL HB 1 13 VAL H 3.320 . 3.320 3.948 3.589 4.296 0.976 6 10 "[* * *+ -* *** *]" 1
91 1 12 VAL QG 1 13 VAL H 2.810 . 2.810 2.618 2.274 2.947 0.137 20 0 "[ . 1 . 2]" 1
92 1 12 VAL QG 1 14 GLN HE21 3.810 . 3.810 3.424 2.567 4.193 0.383 20 0 "[ . 1 . 2]" 1
93 1 12 VAL QG 1 14 GLN HE22 4.010 . 4.010 3.167 2.210 4.113 0.103 6 0 "[ . 1 . 2]" 1
94 1 12 VAL H 1 110 THR HA 4.470 . 4.470 3.966 3.354 4.478 0.008 20 0 "[ . 1 . 2]" 1
95 1 12 VAL H 1 110 THR MG . . 4.270 4.113 2.618 4.404 0.134 7 0 "[ . 1 . 2]" 1
96 1 12 VAL H 1 111 ARG H 3.940 . 3.940 3.000 2.306 3.435 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL H 1 111 ARG HA 4.550 . 4.550 4.472 4.055 4.712 0.162 18 0 "[ . 1 . 2]" 1
98 1 12 VAL HB 1 111 ARG H 4.260 . 4.260 2.682 1.966 4.481 0.221 15 0 "[ . 1 . 2]" 1
99 1 12 VAL QG 1 111 ARG H 3.860 . 3.860 3.304 2.139 3.953 0.093 20 0 "[ . 1 . 2]" 1
100 1 12 VAL QG 1 112 GLN H 3.980 . 3.980 4.149 3.818 5.674 1.694 20 1 "[ . 1 . +]" 1
101 1 12 VAL QG 1 113 SER QB 3.920 . 3.920 3.296 1.849 5.941 2.021 14 1 "[ . 1 +. 2]" 1
102 1 13 VAL H 1 13 VAL HB . . 3.120 2.660 2.558 3.156 0.036 20 0 "[ . 1 . 2]" 1
103 1 13 VAL H 1 13 VAL MG2 . . 3.590 2.444 2.068 3.833 0.243 20 0 "[ . 1 . 2]" 1
104 1 13 VAL HA 1 13 VAL MG1 3.700 . 3.700 2.377 2.314 2.958 . 0 0 "[ . 1 . 2]" 1
105 1 13 VAL HA 1 13 VAL MG2 3.650 . 3.650 2.423 2.066 2.473 . 0 0 "[ . 1 . 2]" 1
106 1 13 VAL H 1 14 GLN H 4.350 . 4.350 4.312 4.172 4.414 0.064 7 0 "[ . 1 . 2]" 1
107 1 13 VAL HA 1 14 GLN H 3.060 . 3.060 2.136 2.075 2.481 . 0 0 "[ . 1 . 2]" 1
108 1 13 VAL HB 1 14 GLN H 4.100 . 4.100 4.165 3.565 4.279 0.179 10 0 "[ . 1 . 2]" 1
109 1 13 VAL MG1 1 14 GLN H . . 3.330 2.804 1.668 3.121 0.132 20 0 "[ . 1 . 2]" 1
110 1 13 VAL MG2 1 14 GLN H 4.140 . 4.140 4.053 2.457 4.208 0.068 10 0 "[ . 1 . 2]" 1
111 1 13 VAL H 1 110 THR MG 4.470 . 4.470 4.088 1.947 4.555 0.085 2 0 "[ . 1 . 2]" 1
112 1 13 VAL HA 1 110 THR HA 4.380 . 4.380 2.843 2.554 3.550 . 0 0 "[ . 1 . 2]" 1
113 1 13 VAL HA 1 110 THR MG 4.120 . 4.120 2.786 2.159 4.144 0.024 20 0 "[ . 1 . 2]" 1
114 1 13 VAL MG2 1 110 THR HA 4.180 . 4.180 3.876 3.521 4.250 0.070 3 0 "[ . 1 . 2]" 1
115 1 14 GLN H 1 14 GLN HB2 . . 3.730 3.126 2.207 3.861 0.131 11 0 "[ . 1 . 2]" 1
116 1 14 GLN H 1 14 GLN HB3 . . 3.380 3.277 2.437 3.781 0.401 19 0 "[ . 1 . 2]" 1
117 1 14 GLN H 1 14 GLN HG3 3.910 . 3.910 4.078 3.015 4.724 0.814 5 6 "[* * +- 1 *.* 2]" 1
118 1 14 GLN HB3 1 14 GLN HE21 4.670 . 4.670 2.884 1.705 3.726 0.095 5 0 "[ . 1 . 2]" 1
119 1 14 GLN HB3 1 14 GLN HE22 4.680 . 4.680 4.138 3.301 4.824 0.144 20 0 "[ . 1 . 2]" 1
120 1 14 GLN HE21 1 14 GLN HG3 3.550 . 3.550 3.157 2.276 3.524 . 0 0 "[ . 1 . 2]" 1
121 1 14 GLN HE22 1 14 GLN HG3 3.870 . 3.870 3.898 3.499 4.093 0.223 5 0 "[ . 1 . 2]" 1
122 1 14 GLN H 1 15 ARG H . . 4.150 4.313 4.187 4.366 0.216 10 0 "[ . 1 . 2]" 1
123 1 14 GLN H 1 15 ARG QG 4.590 . 4.590 4.590 4.295 5.289 0.699 20 1 "[ . 1 . +]" 1
124 1 14 GLN HA 1 15 ARG H 3.060 . 3.060 2.299 2.090 2.578 . 0 0 "[ . 1 . 2]" 1
125 1 14 GLN HG3 1 15 ARG H 3.900 . 3.900 3.517 2.283 4.052 0.152 9 0 "[ . 1 . 2]" 1
126 1 14 GLN H 1 109 VAL QG 3.630 . 3.630 2.968 2.537 3.303 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLN HB2 1 109 VAL QG 4.000 . 4.000 3.290 2.035 4.341 0.341 1 0 "[ . 1 . 2]" 1
128 1 14 GLN HE21 1 109 VAL QG 4.250 . 4.250 3.100 1.786 4.383 0.133 20 0 "[ . 1 . 2]" 1
129 1 14 GLN HE22 1 109 VAL QG 4.540 . 4.540 3.876 2.855 5.248 0.708 20 1 "[ . 1 . +]" 1
130 1 14 GLN H 1 110 THR HA 3.800 . 3.800 3.586 3.233 3.967 0.167 20 0 "[ . 1 . 2]" 1
131 1 14 GLN H 1 110 THR MG 4.380 . 4.380 4.075 3.517 4.590 0.210 20 0 "[ . 1 . 2]" 1
132 1 14 GLN H 1 111 ARG H . . 4.300 4.461 4.368 4.553 0.253 20 0 "[ . 1 . 2]" 1
133 1 15 ARG H 1 15 ARG HB3 . . 3.220 3.571 3.306 3.678 0.458 8 0 "[ . 1 . 2]" 1
134 1 15 ARG H 1 15 ARG HB2 3.060 . 3.060 2.530 2.276 3.538 0.478 5 0 "[ . 1 . 2]" 1
135 1 15 ARG H 1 15 ARG QG . . 3.800 2.782 1.767 3.341 0.033 5 0 "[ . 1 . 2]" 1
136 1 15 ARG H 1 15 ARG QD 4.440 . 4.440 3.926 1.787 4.601 0.161 17 0 "[ . 1 . 2]" 1
137 1 15 ARG H 1 16 VAL HA 4.630 . 4.630 4.812 4.649 4.936 0.306 20 0 "[ . 1 . 2]" 1
138 1 15 ARG H 1 16 VAL QG 4.540 . 4.540 4.422 3.711 4.573 0.033 20 0 "[ . 1 . 2]" 1
139 1 15 ARG HA 1 16 VAL H . . 3.000 2.152 2.063 2.243 . 0 0 "[ . 1 . 2]" 1
140 1 15 ARG HA 1 16 VAL QG 4.210 . 4.210 3.404 3.127 3.704 . 0 0 "[ . 1 . 2]" 1
141 1 15 ARG QD 1 16 VAL H 4.450 . 4.450 4.622 3.697 5.148 0.698 20 1 "[ . 1 . +]" 1
142 1 15 ARG H 1 108 LEU QD 4.170 . 4.170 4.203 3.992 4.469 0.299 9 0 "[ . 1 . 2]" 1
143 1 15 ARG HA 1 108 LEU QD 4.000 . 4.000 2.750 2.084 3.759 . 0 0 "[ . 1 . 2]" 1
144 1 15 ARG QG 1 108 LEU QD 3.050 . 3.050 1.886 1.603 2.875 0.197 7 0 "[ . 1 . 2]" 1
145 1 15 ARG QD 1 108 LEU HA 4.390 . 4.390 4.141 2.528 4.673 0.283 5 0 "[ . 1 . 2]" 1
146 1 15 ARG QD 1 108 LEU QD 3.920 . 3.920 2.359 1.146 3.441 0.654 3 1 "[ + . 1 . 2]" 1
147 1 16 VAL H 1 16 VAL HB 3.420 . 3.420 3.325 2.919 3.503 0.083 20 0 "[ . 1 . 2]" 1
148 1 16 VAL H 1 16 VAL QG . . 3.310 2.241 1.971 2.453 . 0 0 "[ . 1 . 2]" 1
149 1 16 VAL H 1 17 GLU H . . 4.080 4.261 4.157 4.369 0.289 5 0 "[ . 1 . 2]" 1
150 1 16 VAL HA 1 17 GLU H . . 2.810 2.201 2.084 2.345 . 0 0 "[ . 1 . 2]" 1
151 1 16 VAL HB 1 17 GLU H 3.940 . 3.940 3.957 3.407 4.124 0.184 4 0 "[ . 1 . 2]" 1
152 1 16 VAL QG 1 17 GLU H . . 3.190 2.434 2.201 2.695 . 0 0 "[ . 1 . 2]" 1
153 1 16 VAL QG 1 17 GLU HA 4.330 . 4.330 3.559 3.382 4.124 . 0 0 "[ . 1 . 2]" 1
154 1 16 VAL HA 1 69 ALA MB 4.360 . 4.360 4.064 3.688 4.390 0.030 3 0 "[ . 1 . 2]" 1
155 1 16 VAL QG 1 69 ALA MB . . 2.940 1.902 1.749 2.086 0.051 11 0 "[ . 1 . 2]" 1
156 1 16 VAL QG 1 69 ALA H 4.160 . 4.160 4.153 4.017 4.314 0.154 14 0 "[ . 1 . 2]" 1
157 1 16 VAL QG 1 70 GLY H 4.110 . 4.110 3.332 3.221 3.521 . 0 0 "[ . 1 . 2]" 1
158 1 16 VAL QG 1 70 GLY HA3 3.850 . 3.850 2.953 2.612 3.322 . 0 0 "[ . 1 . 2]" 1
159 1 16 VAL QG 1 71 LEU HA 3.810 . 3.810 3.225 2.911 3.481 . 0 0 "[ . 1 . 2]" 1
160 1 16 VAL QG 1 71 LEU QB 4.340 . 4.340 2.494 2.064 2.794 . 0 0 "[ . 1 . 2]" 1
161 1 16 VAL QG 1 71 LEU H 3.360 . 3.360 3.473 3.340 3.587 0.227 12 0 "[ . 1 . 2]" 1
162 1 16 VAL H 1 107 LEU H . . 3.940 2.983 2.535 3.316 . 0 0 "[ . 1 . 2]" 1
163 1 16 VAL H 1 107 LEU HB2 4.530 . 4.530 3.646 2.878 4.712 0.182 12 0 "[ . 1 . 2]" 1
164 1 16 VAL H 1 107 LEU QD 4.900 . 4.900 3.618 2.632 4.570 . 0 0 "[ . 1 . 2]" 1
165 1 16 VAL QG 1 107 LEU H 4.130 . 4.130 3.433 3.079 4.013 . 0 0 "[ . 1 . 2]" 1
166 1 17 GLU H 1 17 GLU QB 3.070 . 3.070 2.693 2.400 3.101 0.031 18 0 "[ . 1 . 2]" 1
167 1 17 GLU HA 1 17 GLU HG2 3.820 . 3.820 3.069 2.503 4.065 0.245 18 0 "[ . 1 . 2]" 1
168 1 17 GLU H 1 18 ILE H 3.960 . 3.960 4.162 4.077 4.215 0.255 9 0 "[ . 1 . 2]" 1
169 1 17 GLU HA 1 18 ILE H . . 3.200 2.118 2.039 2.193 . 0 0 "[ . 1 . 2]" 1
170 1 17 GLU QB 1 18 ILE H 3.640 . 3.640 3.450 3.339 3.536 . 0 0 "[ . 1 . 2]" 1
171 1 17 GLU H 1 69 ALA MB . . 3.800 2.931 2.403 3.405 . 0 0 "[ . 1 . 2]" 1
172 1 17 GLU QB 1 104 VAL QG . . 3.410 2.121 1.674 2.937 0.126 17 0 "[ . 1 . 2]" 1
173 1 17 GLU HA 1 105 VAL H 4.680 . 4.680 4.455 4.106 4.831 0.151 15 0 "[ . 1 . 2]" 1
174 1 17 GLU H 1 106 ARG HA 4.670 . 4.670 4.588 4.284 4.800 0.130 7 0 "[ . 1 . 2]" 1
175 1 17 GLU HA 1 106 ARG H 4.770 . 4.770 4.379 4.112 4.620 . 0 0 "[ . 1 . 2]" 1
176 1 17 GLU HA 1 106 ARG HA 4.180 . 4.180 2.036 1.703 2.439 0.097 3 0 "[ . 1 . 2]" 1
177 1 17 GLU HA 1 106 ARG QG 3.880 . 3.880 3.351 2.520 3.954 0.074 9 0 "[ . 1 . 2]" 1
178 1 17 GLU H 1 107 LEU H 4.660 . 4.660 4.674 4.470 4.854 0.194 15 0 "[ . 1 . 2]" 1
179 1 17 GLU HA 1 107 LEU H . . 3.760 3.068 2.817 3.385 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE H 1 18 ILE HB . . 3.580 2.504 2.359 2.876 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE H 1 18 ILE MD 4.100 . 4.100 3.151 2.226 4.246 0.146 11 0 "[ . 1 . 2]" 1
182 1 18 ILE H 1 18 ILE QG 3.540 . 3.540 2.622 2.226 3.618 0.078 16 0 "[ . 1 . 2]" 1
183 1 18 ILE H 1 18 ILE MG 3.540 . 3.540 3.736 3.693 3.848 0.308 11 0 "[ . 1 . 2]" 1
184 1 18 ILE HA 1 18 ILE MG . . 3.510 2.378 2.239 2.509 . 0 0 "[ . 1 . 2]" 1
185 1 18 ILE QG 1 18 ILE MG 2.970 . 2.970 2.204 2.037 2.329 . 0 0 "[ . 1 . 2]" 1
186 1 18 ILE H 1 19 HIS H 4.060 . 4.060 4.242 3.675 4.445 0.385 13 0 "[ . 1 . 2]" 1
187 1 18 ILE H 1 19 HIS QB 5.060 . 5.060 4.945 4.227 5.178 0.118 19 0 "[ . 1 . 2]" 1
188 1 18 ILE HA 1 19 HIS H . . 2.960 2.129 2.004 2.391 . 0 0 "[ . 1 . 2]" 1
189 1 18 ILE HA 1 19 HIS QB 4.280 . 4.280 4.129 3.729 4.376 0.096 12 0 "[ . 1 . 2]" 1
190 1 18 ILE HB 1 19 HIS H 4.310 . 4.310 4.138 3.566 4.401 0.091 9 0 "[ . 1 . 2]" 1
191 1 18 ILE MG 1 19 HIS H 3.290 . 3.290 2.749 1.924 3.307 0.017 20 0 "[ . 1 . 2]" 1
192 1 18 ILE MG 1 20 LYS H 4.090 . 4.090 3.388 2.606 4.447 0.357 11 0 "[ . 1 . 2]" 1
193 1 18 ILE MD 1 31 PHE QD 5.590 . 5.590 4.565 3.128 5.457 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE MD 1 31 PHE QE 5.590 . 5.590 3.587 1.857 4.890 . 0 0 "[ . 1 . 2]" 1
195 1 18 ILE MG 1 65 PRO HB2 4.160 . 4.160 2.499 1.843 3.582 . 0 0 "[ . 1 . 2]" 1
196 1 18 ILE H 1 66 ALA HA 5.240 . 5.240 5.383 5.266 5.732 0.492 11 0 "[ . 1 . 2]" 1
197 1 18 ILE MD 1 66 ALA H 4.580 . 4.580 4.613 4.315 5.920 1.340 9 1 "[ . +1 . 2]" 1
198 1 18 ILE MD 1 66 ALA HA 3.750 . 3.750 2.246 1.672 3.578 0.128 10 0 "[ . 1 . 2]" 1
199 1 18 ILE MG 1 66 ALA H 4.400 . 4.400 3.318 2.970 3.658 . 0 0 "[ . 1 . 2]" 1
200 1 18 ILE HA 1 69 ALA MB . . 3.140 2.328 1.811 3.050 . 0 0 "[ . 1 . 2]" 1
201 1 18 ILE MG 1 69 ALA MB 3.210 . 3.210 3.224 2.943 3.518 0.308 16 0 "[ . 1 . 2]" 1
202 1 18 ILE MD 1 71 LEU QD 4.280 . 4.280 2.527 1.734 3.011 0.066 15 0 "[ . 1 . 2]" 1
203 1 18 ILE H 1 105 VAL H . . 3.930 3.266 2.886 4.319 0.389 11 0 "[ . 1 . 2]" 1
204 1 18 ILE H 1 105 VAL QG 3.940 . 3.940 2.969 2.312 3.755 . 0 0 "[ . 1 . 2]" 1
205 1 18 ILE HB 1 105 VAL H 4.190 . 4.190 3.796 3.279 6.832 2.642 11 1 "[ . 1+ . 2]" 1
206 1 18 ILE H 1 106 ARG HA 4.080 . 4.080 3.320 2.712 3.905 . 0 0 "[ . 1 . 2]" 1
207 1 18 ILE H 1 107 LEU H . . 4.460 4.144 3.748 4.494 0.034 6 0 "[ . 1 . 2]" 1
208 1 18 ILE H 1 107 LEU QD 3.640 . 3.640 2.920 1.861 3.546 . 0 0 "[ . 1 . 2]" 1
209 1 18 ILE HB 1 107 LEU QD 2.950 . 2.950 2.695 2.073 2.955 0.005 10 0 "[ . 1 . 2]" 1
210 1 19 HIS H 1 19 HIS QB . . 3.290 2.666 2.051 3.019 . 0 0 "[ . 1 . 2]" 1
211 1 19 HIS H 1 19 HIS HD2 4.150 . 4.150 3.749 2.442 5.266 1.116 3 7 "[ + * *-1 * * *]" 1
212 1 19 HIS H 1 20 LYS H 4.530 . 4.530 3.958 3.423 4.347 . 0 0 "[ . 1 . 2]" 1
213 1 19 HIS HA 1 20 LYS H 3.700 . 3.700 2.178 1.970 2.311 . 0 0 "[ . 1 . 2]" 1
214 1 19 HIS QB 1 20 LYS H 4.430 . 4.430 3.660 2.505 3.992 . 0 0 "[ . 1 . 2]" 1
215 1 19 HIS H 1 65 PRO HB2 . . 4.730 3.075 2.438 4.214 . 0 0 "[ . 1 . 2]" 1
216 1 19 HIS H 1 69 ALA H 5.240 . 5.240 5.455 5.035 7.213 1.973 11 1 "[ . 1+ . 2]" 1
217 1 19 HIS H 1 69 ALA MB 4.380 . 4.380 3.406 2.823 4.703 0.323 11 0 "[ . 1 . 2]" 1
218 1 19 HIS H 1 104 VAL QG 4.670 . 4.670 3.327 2.638 4.871 0.201 11 0 "[ . 1 . 2]" 1
219 1 19 HIS QB 1 104 VAL QG . . 4.130 1.862 1.531 3.757 0.269 16 0 "[ . 1 . 2]" 1
220 1 19 HIS HD2 1 104 VAL QG . . 4.590 2.979 2.143 3.838 . 0 0 "[ . 1 . 2]" 1
221 1 19 HIS H 1 105 VAL H 4.290 . 4.290 4.318 3.921 4.525 0.235 17 0 "[ . 1 . 2]" 1
222 1 19 HIS H 1 105 VAL QG 4.530 . 4.530 4.224 1.758 4.640 0.110 7 0 "[ . 1 . 2]" 1
223 1 19 HIS HA 1 105 VAL H 3.910 . 3.910 3.031 2.347 5.913 2.003 11 1 "[ . 1+ . 2]" 1
224 1 19 HIS QB 1 105 VAL H 4.780 . 4.780 3.711 3.177 4.496 . 0 0 "[ . 1 . 2]" 1
225 1 20 LYS H 1 20 LYS QD 4.350 . 4.350 3.723 1.773 4.432 0.082 4 0 "[ . 1 . 2]" 1
226 1 20 LYS H 1 20 LYS QG 3.740 . 3.740 2.859 1.696 4.029 0.289 17 0 "[ . 1 . 2]" 1
227 1 20 LYS HA 1 20 LYS QG 3.940 . 3.940 2.875 2.344 3.430 . 0 0 "[ . 1 . 2]" 1
228 1 20 LYS H 1 21 LEU H 4.570 . 4.570 4.140 2.816 4.707 0.137 15 0 "[ . 1 . 2]" 1
229 1 20 LYS HA 1 21 LEU H . . 3.380 2.728 2.149 3.517 0.137 17 0 "[ . 1 . 2]" 1
230 1 20 LYS HA 1 28 ILE MG 4.130 . 4.130 4.125 2.367 5.531 1.401 6 1 "[ .+ 1 . 2]" 1
231 1 21 LEU H 1 21 LEU HB2 . . 3.490 3.291 2.617 3.822 0.332 2 0 "[ . 1 . 2]" 1
232 1 21 LEU H 1 21 LEU HB3 . . 3.520 2.924 2.651 3.377 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU H 1 21 LEU QD . . 4.310 3.915 3.141 4.056 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU HA 1 21 LEU HG 4.250 . 4.250 3.288 2.329 3.630 . 0 0 "[ . 1 . 2]" 1
235 1 21 LEU HA 1 21 LEU QD 3.280 . 3.280 2.175 1.806 3.355 0.075 2 0 "[ . 1 . 2]" 1
236 1 21 LEU H 1 22 ARG H . . 4.110 4.158 3.900 4.361 0.251 7 0 "[ . 1 . 2]" 1
237 1 21 LEU HA 1 22 ARG H 2.790 . 2.790 2.176 2.074 2.336 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU QD 1 22 ARG H . . 3.260 2.126 1.752 3.122 0.048 15 0 "[ . 1 . 2]" 1
239 1 21 LEU QD 1 22 ARG QD 4.640 . 4.640 4.350 4.047 4.516 . 0 0 "[ . 1 . 2]" 1
240 1 21 LEU HG 1 23 GLN HE21 4.630 . 4.630 3.365 1.848 4.557 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU HG 1 23 GLN QG 4.250 . 4.250 2.987 1.826 4.373 0.123 14 0 "[ . 1 . 2]" 1
242 1 21 LEU QD 1 23 GLN HE21 3.810 . 3.810 3.095 2.024 3.742 . 0 0 "[ . 1 . 2]" 1
243 1 21 LEU H 1 28 ILE HG12 4.070 . 4.070 3.624 1.759 4.280 0.210 1 0 "[ . 1 . 2]" 1
244 1 21 LEU H 1 28 ILE HG13 4.190 . 4.190 3.829 2.135 4.406 0.216 9 0 "[ . 1 . 2]" 1
245 1 21 LEU H 1 28 ILE MG 3.760 . 3.760 3.626 2.963 4.237 0.477 1 0 "[ . 1 . 2]" 1
246 1 22 ARG H 1 22 ARG QB . . 3.160 2.170 2.050 2.450 . 0 0 "[ . 1 . 2]" 1
247 1 22 ARG H 1 22 ARG QD 4.710 . 4.710 3.975 1.932 4.568 . 0 0 "[ . 1 . 2]" 1
248 1 22 ARG HA 1 22 ARG QD . . 3.820 2.775 1.893 3.820 . 14 0 "[ . 1 . 2]" 1
249 1 22 ARG HA 1 22 ARG QG 3.640 . 3.640 2.713 2.285 3.382 . 0 0 "[ . 1 . 2]" 1
250 1 22 ARG QB 1 22 ARG QD . . 3.040 2.332 1.884 2.706 . 0 0 "[ . 1 . 2]" 1
251 1 22 ARG H 1 23 GLN QG 4.460 . 4.460 4.235 3.563 4.411 . 0 0 "[ . 1 . 2]" 1
252 1 22 ARG HA 1 23 GLN H 2.980 . 2.980 2.121 2.022 2.218 . 0 0 "[ . 1 . 2]" 1
253 1 22 ARG HA 1 23 GLN HE21 4.900 . 4.900 5.024 4.927 5.190 0.290 8 0 "[ . 1 . 2]" 1
254 1 22 ARG QD 1 23 GLN H . . 4.400 3.107 2.420 4.190 . 0 0 "[ . 1 . 2]" 1
255 1 22 ARG QG 1 23 GLN H . . 3.450 3.443 2.230 3.715 0.265 19 0 "[ . 1 . 2]" 1
256 1 22 ARG QB 1 24 GLY H 4.140 . 4.140 4.008 2.947 4.227 0.087 19 0 "[ . 1 . 2]" 1
257 1 22 ARG QG 1 24 GLY H 4.590 . 4.590 3.345 2.112 4.618 0.028 12 0 "[ . 1 . 2]" 1
258 1 22 ARG H 1 27 LEU HA 4.370 . 4.370 4.503 3.917 4.803 0.433 12 0 "[ . 1 . 2]" 1
259 1 22 ARG QD 1 27 LEU QD . . 3.670 2.432 1.382 3.172 0.418 12 0 "[ . 1 . 2]" 1
260 1 23 GLN H 1 23 GLN HB2 3.630 . 3.630 3.294 2.874 3.675 0.045 19 0 "[ . 1 . 2]" 1
261 1 23 GLN H 1 23 GLN HB3 3.520 . 3.520 3.715 3.617 3.870 0.350 14 0 "[ . 1 . 2]" 1
262 1 23 GLN H 1 23 GLN QG 3.940 . 3.940 2.237 2.024 2.597 . 0 0 "[ . 1 . 2]" 1
263 1 23 GLN HA 1 23 GLN QG . . 3.620 2.943 2.553 3.210 . 0 0 "[ . 1 . 2]" 1
264 1 23 GLN HB2 1 23 GLN HE21 4.620 . 4.620 4.476 4.110 4.586 . 0 0 "[ . 1 . 2]" 1
265 1 23 GLN HB3 1 23 GLN HE21 4.680 . 4.680 4.025 3.930 4.350 . 0 0 "[ . 1 . 2]" 1
266 1 23 GLN HB3 1 23 GLN HE22 4.820 . 4.820 4.383 4.266 4.552 . 0 0 "[ . 1 . 2]" 1
267 1 23 GLN H 1 24 GLY H 4.730 . 4.730 3.081 2.718 3.309 . 0 0 "[ . 1 . 2]" 1
268 1 23 GLN H 1 24 GLY HA2 5.460 . 5.460 4.972 4.604 5.221 . 0 0 "[ . 1 . 2]" 1
269 1 23 GLN H 1 24 GLY HA3 4.910 . 4.910 5.034 4.875 5.449 0.539 8 1 "[ . + 1 . 2]" 1
270 1 23 GLN HA 1 24 GLY H 3.700 . 3.700 2.407 2.277 2.517 . 0 0 "[ . 1 . 2]" 1
271 1 23 GLN QG 1 24 GLY H 4.220 . 4.220 4.330 4.204 4.388 0.168 11 0 "[ . 1 . 2]" 1
272 1 23 GLN H 1 26 ASN H . . 3.560 3.214 2.947 3.474 . 0 0 "[ . 1 . 2]" 1
273 1 23 GLN H 1 26 ASN HB2 4.470 . 4.470 2.650 2.275 3.191 . 0 0 "[ . 1 . 2]" 1
274 1 23 GLN H 1 26 ASN HB3 4.550 . 4.550 3.551 3.131 4.217 . 0 0 "[ . 1 . 2]" 1
275 1 23 GLN H 1 26 ASN HD21 5.320 . 5.320 4.329 4.108 4.634 . 0 0 "[ . 1 . 2]" 1
276 1 23 GLN HA 1 26 ASN H 4.200 . 4.200 4.495 4.352 4.629 0.429 7 0 "[ . 1 . 2]" 1
277 1 23 GLN HA 1 26 ASN HB2 4.610 . 4.610 4.070 3.808 4.447 . 0 0 "[ . 1 . 2]" 1
278 1 23 GLN HB2 1 26 ASN H 3.970 . 3.970 3.762 3.287 4.115 0.145 15 0 "[ . 1 . 2]" 1
279 1 23 GLN HB2 1 26 ASN HB3 4.860 . 4.860 3.672 2.730 4.641 . 0 0 "[ . 1 . 2]" 1
280 1 23 GLN HB2 1 26 ASN HD21 4.670 . 4.670 2.761 2.169 3.551 . 0 0 "[ . 1 . 2]" 1
281 1 23 GLN HB2 1 26 ASN HD22 4.850 . 4.850 3.991 3.492 4.719 . 0 0 "[ . 1 . 2]" 1
282 1 23 GLN H 1 27 LEU H 4.490 . 4.490 4.356 4.069 4.591 0.101 7 0 "[ . 1 . 2]" 1
283 1 23 GLN H 1 27 LEU HA 3.680 . 3.680 3.219 2.604 3.463 . 0 0 "[ . 1 . 2]" 1
284 1 23 GLN H 1 27 LEU QD 3.980 . 3.980 3.206 2.248 3.669 . 0 0 "[ . 1 . 2]" 1
285 1 23 GLN QG 1 27 LEU H 4.480 . 4.480 4.474 3.951 4.730 0.250 18 0 "[ . 1 . 2]" 1
286 1 23 GLN H 1 28 ILE H . . 3.950 4.019 3.796 4.113 0.163 3 0 "[ . 1 . 2]" 1
287 1 23 GLN HE21 1 28 ILE MD 4.020 . 4.020 3.485 2.534 4.058 0.038 1 0 "[ . 1 . 2]" 1
288 1 23 GLN HE22 1 28 ILE HG12 4.690 . 4.690 4.100 3.725 4.639 . 0 0 "[ . 1 . 2]" 1
289 1 23 GLN HE22 1 28 ILE MD 3.910 . 3.910 3.677 3.244 3.956 0.046 4 0 "[ . 1 . 2]" 1
290 1 24 GLY HA2 1 25 GLU H 3.560 . 3.560 3.198 2.261 3.419 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLY HA3 1 25 GLU H . . 3.420 2.317 2.083 3.453 0.033 20 0 "[ . 1 . 2]" 1
292 1 24 GLY H 1 26 ASN H 5.190 . 5.190 3.615 3.475 3.886 . 0 0 "[ . 1 . 2]" 1
293 1 24 GLY H 1 26 ASN HD21 4.870 . 4.870 4.969 4.651 5.047 0.177 17 0 "[ . 1 . 2]" 1
294 1 24 GLY HA2 1 26 ASN H 3.830 . 3.830 3.934 3.454 4.059 0.229 1 0 "[ . 1 . 2]" 1
295 1 24 GLY HA3 1 26 ASN H 3.290 . 3.290 3.497 3.277 4.188 0.898 8 3 "[ . + 1 - *]" 1
296 1 24 GLY HA3 1 26 ASN HD21 5.400 . 5.400 4.252 3.601 5.184 . 0 0 "[ . 1 . 2]" 1
297 1 25 GLU H 1 25 GLU HB2 3.710 . 3.710 2.447 2.067 3.706 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLU H 1 25 GLU HB3 3.600 . 3.600 3.285 2.670 4.012 0.412 15 0 "[ . 1 . 2]" 1
299 1 25 GLU HA 1 25 GLU HB3 . . 3.050 2.779 2.459 3.043 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLU H 1 26 ASN H . . 3.120 2.379 1.760 2.518 0.040 8 0 "[ . 1 . 2]" 1
301 1 25 GLU H 1 26 ASN HB2 4.330 . 4.330 4.393 4.319 4.575 0.245 15 0 "[ . 1 . 2]" 1
302 1 25 GLU H 1 26 ASN HD21 4.870 . 4.870 3.195 2.822 3.976 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLU H 1 26 ASN HD22 5.040 . 5.040 4.333 3.721 5.322 0.282 15 0 "[ . 1 . 2]" 1
304 1 25 GLU HA 1 26 ASN H 3.260 . 3.260 3.272 3.208 3.365 0.105 20 0 "[ . 1 . 2]" 1
305 1 25 GLU HA 1 26 ASN HD21 5.380 . 5.380 4.846 4.250 5.129 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLU HB2 1 26 ASN H 3.770 . 3.770 3.729 3.226 4.123 0.353 7 0 "[ . 1 . 2]" 1
307 1 25 GLU HB2 1 26 ASN HD21 4.610 . 4.610 3.704 2.753 4.459 . 0 0 "[ . 1 . 2]" 1
308 1 25 GLU HB2 1 26 ASN HD22 4.630 . 4.630 3.933 2.684 4.651 0.021 16 0 "[ . 1 . 2]" 1
309 1 25 GLU HB3 1 26 ASN H 3.620 . 3.620 3.741 2.898 4.130 0.510 5 2 "[ + 1 . - 2]" 1
310 1 25 GLU HB3 1 26 ASN HD21 4.510 . 4.510 3.796 1.817 4.624 0.114 14 0 "[ . 1 . 2]" 1
311 1 25 GLU HB3 1 26 ASN HD22 4.450 . 4.450 3.817 2.279 4.651 0.201 18 0 "[ . 1 . 2]" 1
312 1 26 ASN H 1 26 ASN HB2 . . 3.030 2.482 2.388 2.609 . 0 0 "[ . 1 . 2]" 1
313 1 26 ASN H 1 26 ASN HB3 . . 3.260 3.635 3.591 3.708 0.448 20 0 "[ . 1 . 2]" 1
314 1 26 ASN H 1 26 ASN HD21 . . 3.840 2.441 2.263 2.659 . 0 0 "[ . 1 . 2]" 1
315 1 26 ASN H 1 26 ASN HD22 . . 4.060 3.939 3.781 4.094 0.034 14 0 "[ . 1 . 2]" 1
316 1 26 ASN HB2 1 26 ASN HD21 . . 3.490 2.152 2.065 2.276 . 0 0 "[ . 1 . 2]" 1
317 1 26 ASN HB2 1 26 ASN HD22 3.940 . 3.940 3.418 3.366 3.480 . 0 0 "[ . 1 . 2]" 1
318 1 26 ASN H 1 27 LEU H . . 3.750 4.149 4.061 4.211 0.461 15 0 "[ . 1 . 2]" 1
319 1 26 ASN H 1 27 LEU QD 3.440 . 3.440 3.556 3.491 3.670 0.230 19 0 "[ . 1 . 2]" 1
320 1 26 ASN HA 1 27 LEU H 2.900 . 2.900 1.930 1.861 2.066 . 0 0 "[ . 1 . 2]" 1
321 1 26 ASN HB2 1 27 LEU H . . 3.780 3.911 3.726 4.056 0.276 12 0 "[ . 1 . 2]" 1
322 1 26 ASN HB3 1 27 LEU H . . 3.330 2.938 2.653 3.286 . 0 0 "[ . 1 . 2]" 1
323 1 26 ASN HD21 1 27 LEU H 4.910 . 4.910 5.256 5.189 5.318 0.408 7 0 "[ . 1 . 2]" 1
324 1 26 ASN QB 1 28 ILE MG 5.250 . 5.250 4.304 3.438 4.712 . 0 0 "[ . 1 . 2]" 1
325 1 26 ASN HD21 1 28 ILE MD 4.280 . 4.280 4.394 4.321 4.482 0.202 17 0 "[ . 1 . 2]" 1
326 1 26 ASN HD22 1 28 ILE MD 4.440 . 4.440 4.593 4.486 4.775 0.335 19 0 "[ . 1 . 2]" 1
327 1 27 LEU H 1 27 LEU HB3 . . 3.310 3.548 3.398 3.604 0.294 16 0 "[ . 1 . 2]" 1
328 1 27 LEU H 1 27 LEU HB2 . . 3.610 2.528 2.331 3.804 0.194 11 0 "[ . 1 . 2]" 1
329 1 27 LEU H 1 27 LEU QD . . 3.610 2.844 1.925 3.410 . 0 0 "[ . 1 . 2]" 1
330 1 27 LEU H 1 28 ILE H . . 4.200 3.982 3.838 4.118 . 0 0 "[ . 1 . 2]" 1
331 1 27 LEU HA 1 28 ILE H . . 3.080 2.126 1.916 2.199 . 0 0 "[ . 1 . 2]" 1
332 1 27 LEU HB3 1 28 ILE H 3.660 . 3.660 3.718 3.364 3.854 0.194 11 0 "[ . 1 . 2]" 1
333 1 27 LEU QD 1 28 ILE H 3.840 . 3.840 3.297 2.781 3.865 0.025 11 0 "[ . 1 . 2]" 1
334 1 28 ILE H 1 28 ILE HB . . 4.000 3.005 2.412 3.844 . 0 0 "[ . 1 . 2]" 1
335 1 28 ILE H 1 28 ILE HG12 3.580 . 3.580 2.267 1.929 2.586 . 0 0 "[ . 1 . 2]" 1
336 1 28 ILE H 1 28 ILE HG13 . . 3.720 3.534 2.783 3.834 0.114 17 0 "[ . 1 . 2]" 1
337 1 28 ILE H 1 28 ILE MG 3.480 . 3.480 3.716 3.448 3.843 0.363 6 0 "[ . 1 . 2]" 1
338 1 28 ILE HA 1 28 ILE MD 4.160 . 4.160 2.759 1.998 4.140 . 0 0 "[ . 1 . 2]" 1
339 1 28 ILE HA 1 28 ILE MG 3.610 . 3.610 2.194 1.983 2.387 . 0 0 "[ . 1 . 2]" 1
340 1 28 ILE HA 1 29 LEU H 4.670 . 4.670 2.140 1.901 2.602 . 0 0 "[ . 1 . 2]" 1
341 1 28 ILE MG 1 29 LEU H 4.660 . 4.660 2.840 2.608 3.156 . 0 0 "[ . 1 . 2]" 1
342 1 28 ILE HA 1 30 GLY H 4.440 . 4.440 4.219 3.246 4.861 0.421 4 0 "[ . 1 . 2]" 1
343 1 28 ILE HB 1 30 GLY H 4.480 . 4.480 4.590 3.169 6.317 1.837 13 2 "[ . 1 + . - 2]" 1
344 1 29 LEU HA 1 29 LEU QD . . 3.780 2.248 1.748 3.307 0.052 6 0 "[ . 1 . 2]" 1
345 1 29 LEU H 1 30 GLY H . . 4.050 2.516 1.910 3.631 . 0 0 "[ . 1 . 2]" 1
346 1 29 LEU HA 1 30 GLY H 4.600 . 4.600 3.038 2.082 3.609 . 0 0 "[ . 1 . 2]" 1
347 1 29 LEU HG 1 30 GLY H 4.570 . 4.570 4.260 2.359 4.888 0.318 9 0 "[ . 1 . 2]" 1
348 1 29 LEU QB 1 30 GLY H 4.230 . 4.230 3.111 2.131 4.062 . 0 0 "[ . 1 . 2]" 1
349 1 29 LEU QD 1 30 GLY H 3.710 . 3.710 3.597 2.889 4.146 0.436 6 0 "[ . 1 . 2]" 1
350 1 31 PHE HA 1 32 SER H 3.430 . 3.430 2.570 2.343 2.713 . 0 0 "[ . 1 . 2]" 1
351 1 31 PHE HB3 1 32 SER H 3.840 . 3.840 3.768 3.455 4.286 0.446 19 0 "[ . 1 . 2]" 1
352 1 31 PHE QD 1 32 SER H 4.770 2.800 4.770 2.785 2.652 3.066 0.148 18 0 "[ . 1 . 2]" 1
353 1 31 PHE QD 1 33 ILE MG 5.430 . 5.430 2.715 2.266 3.517 . 0 0 "[ . 1 . 2]" 1
354 1 31 PHE QD 1 57 VAL QG 5.630 . 5.630 2.148 1.846 2.718 . 0 0 "[ . 1 . 2]" 1
355 1 31 PHE QD 1 58 THR H 5.640 . 5.640 4.559 4.312 4.957 . 0 0 "[ . 1 . 2]" 1
356 1 31 PHE QD 1 59 ARG H 5.450 . 5.450 3.959 3.805 4.204 . 0 0 "[ . 1 . 2]" 1
357 1 31 PHE QE 1 32 SER H 5.770 . 5.770 4.920 4.636 5.150 . 0 0 "[ . 1 . 2]" 1
358 1 31 PHE QE 1 33 ILE MG 5.430 . 5.430 2.078 1.809 2.774 . 0 0 "[ . 1 . 2]" 1
359 1 31 PHE QE 1 57 VAL QG 5.630 . 5.630 2.271 1.772 2.680 0.028 19 0 "[ . 1 . 2]" 1
360 1 31 PHE QE 1 58 THR H 5.640 . 5.640 5.452 5.069 5.782 0.142 17 0 "[ . 1 . 2]" 1
361 1 31 PHE QE 1 59 ARG H 5.450 . 5.450 5.554 5.000 5.707 0.257 20 0 "[ . 1 . 2]" 1
362 1 31 PHE HA 1 60 VAL H 4.710 . 4.710 4.461 3.756 4.948 0.238 14 0 "[ . 1 . 2]" 1
363 1 31 PHE HA 1 60 VAL HA 4.540 . 4.540 2.857 2.602 3.062 . 0 0 "[ . 1 . 2]" 1
364 1 31 PHE HA 1 60 VAL QG 4.190 . 4.190 3.969 3.713 4.091 . 0 0 "[ . 1 . 2]" 1
365 1 31 PHE HB3 1 60 VAL HA 4.950 . 4.950 2.177 1.609 3.295 0.191 15 0 "[ . 1 . 2]" 1
366 1 31 PHE HB3 1 60 VAL QG 4.160 . 4.160 2.669 2.287 3.361 . 0 0 "[ . 1 . 2]" 1
367 1 31 PHE HB2 1 60 VAL QG 4.200 . 4.200 2.703 2.475 2.969 . 0 0 "[ . 1 . 2]" 1
368 1 31 PHE QD 1 60 VAL QG 5.560 . 5.560 3.099 2.324 3.539 . 0 0 "[ . 1 . 2]" 1
369 1 31 PHE QD 1 61 SER H 5.770 . 5.770 3.862 3.498 4.108 . 0 0 "[ . 1 . 2]" 1
370 1 31 PHE QD 1 66 ALA H 5.520 . 5.520 4.349 3.831 5.056 . 0 0 "[ . 1 . 2]" 1
371 1 31 PHE QD 1 66 ALA MB 5.400 . 5.400 2.539 1.826 3.154 . 0 0 "[ . 1 . 2]" 1
372 1 31 PHE QD 1 71 LEU QD 5.020 . 5.020 3.005 2.685 3.238 . 0 0 "[ . 1 . 2]" 1
373 1 31 PHE QE 1 60 VAL QG 5.560 . 5.560 4.240 3.533 4.652 . 0 0 "[ . 1 . 2]" 1
374 1 31 PHE HA 1 61 SER H 3.630 . 3.630 2.338 2.018 2.610 . 0 0 "[ . 1 . 2]" 1
375 1 31 PHE QE 1 61 SER H 5.770 . 5.770 5.924 5.652 6.200 0.430 15 0 "[ . 1 . 2]" 1
376 1 31 PHE HB3 1 66 ALA MB 4.650 . 4.650 2.976 2.601 3.540 . 0 0 "[ . 1 . 2]" 1
377 1 31 PHE QE 1 66 ALA H 5.520 . 5.520 5.366 4.604 5.909 0.389 19 0 "[ . 1 . 2]" 1
378 1 31 PHE QE 1 66 ALA MB 5.400 . 5.400 3.060 2.373 3.514 . 0 0 "[ . 1 . 2]" 1
379 1 31 PHE QE 1 71 LEU QD 5.020 . 5.020 2.941 2.396 3.474 . 0 0 "[ . 1 . 2]" 1
380 1 32 SER H 1 33 ILE MG 3.880 . 3.880 3.994 3.930 4.084 0.204 12 0 "[ . 1 . 2]" 1
381 1 32 SER HA 1 33 ILE H . . 3.340 2.253 2.114 2.356 . 0 0 "[ . 1 . 2]" 1
382 1 32 SER QB 1 33 ILE H . . 3.750 3.352 2.717 3.665 . 0 0 "[ . 1 . 2]" 1
383 1 32 SER H 1 57 VAL QG 3.810 . 3.810 3.463 3.274 3.753 . 0 0 "[ . 1 . 2]" 1
384 1 32 SER QB 1 58 THR H 4.590 . 4.590 4.112 3.692 4.422 . 0 0 "[ . 1 . 2]" 1
385 1 32 SER H 1 59 ARG H 3.690 . 3.690 3.404 3.091 3.693 0.003 3 0 "[ . 1 . 2]" 1
386 1 32 SER H 1 59 ARG QB 3.880 . 3.880 3.345 1.765 3.954 0.074 10 0 "[ . 1 . 2]" 1
387 1 32 SER H 1 59 ARG QG 4.400 . 4.400 2.617 1.756 4.023 0.044 12 0 "[ . 1 . 2]" 1
388 1 32 SER QB 1 59 ARG H 3.650 . 3.650 3.563 3.018 3.815 0.165 17 0 "[ . 1 . 2]" 1
389 1 32 SER QB 1 59 ARG QB . . 4.440 2.546 1.620 3.928 0.180 16 0 "[ . 1 . 2]" 1
390 1 32 SER QB 1 59 ARG QG 4.050 . 4.050 1.923 1.417 2.718 0.383 9 0 "[ . 1 . 2]" 1
391 1 32 SER H 1 60 VAL HA 4.020 . 4.020 3.137 2.393 3.380 . 0 0 "[ . 1 . 2]" 1
392 1 32 SER H 1 60 VAL QG 4.250 . 4.250 4.021 3.730 4.184 . 0 0 "[ . 1 . 2]" 1
393 1 32 SER H 1 61 SER H . . 4.190 4.226 3.840 4.409 0.219 12 0 "[ . 1 . 2]" 1
394 1 32 SER H 1 71 LEU QD 4.840 . 4.840 4.964 4.894 5.036 0.196 3 0 "[ . 1 . 2]" 1
395 1 33 ILE H 1 33 ILE MD 4.170 . 4.170 3.639 1.825 4.079 . 0 0 "[ . 1 . 2]" 1
396 1 33 ILE H 1 33 ILE MG . . 3.480 2.807 2.438 3.041 . 0 0 "[ . 1 . 2]" 1
397 1 33 ILE HA 1 33 ILE MD 4.620 . 4.620 3.989 3.570 4.195 . 0 0 "[ . 1 . 2]" 1
398 1 33 ILE MD 1 33 ILE MG . . 2.910 2.191 1.851 3.058 0.148 15 0 "[ . 1 . 2]" 1
399 1 33 ILE H 1 34 GLY H 4.640 . 4.640 4.371 4.193 4.433 . 0 0 "[ . 1 . 2]" 1
400 1 33 ILE H 1 34 GLY HA2 4.500 . 4.500 4.664 4.582 4.754 0.254 20 0 "[ . 1 . 2]" 1
401 1 33 ILE HA 1 34 GLY H . . 3.460 2.272 2.150 2.494 . 0 0 "[ . 1 . 2]" 1
402 1 33 ILE HB 1 34 GLY H 3.850 . 3.850 2.774 2.385 3.714 . 0 0 "[ . 1 . 2]" 1
403 1 33 ILE MD 1 34 GLY H 4.690 . 4.690 4.097 3.007 4.694 0.004 5 0 "[ . 1 . 2]" 1
404 1 33 ILE QG 1 34 GLY H 4.310 . 4.310 3.605 2.123 4.213 . 0 0 "[ . 1 . 2]" 1
405 1 33 ILE QG 1 34 GLY HA2 4.520 . 4.520 3.940 3.324 4.551 0.031 10 0 "[ . 1 . 2]" 1
406 1 33 ILE MG 1 34 GLY H 3.860 . 3.860 3.845 3.508 4.068 0.208 19 0 "[ . 1 . 2]" 1
407 1 33 ILE MD 1 55 ILE MD 3.710 . 3.710 3.680 3.126 3.914 0.204 20 0 "[ . 1 . 2]" 1
408 1 33 ILE MD 1 55 ILE MG 3.640 . 3.640 3.099 2.260 3.767 0.127 18 0 "[ . 1 . 2]" 1
409 1 33 ILE H 1 57 VAL HA 5.070 . 5.070 4.802 4.442 5.001 . 0 0 "[ . 1 . 2]" 1
410 1 33 ILE H 1 58 THR MG 5.090 . 5.090 3.580 3.078 4.960 . 0 0 "[ . 1 . 2]" 1
411 1 33 ILE HA 1 58 THR H 3.870 . 3.870 2.132 1.786 2.381 0.014 18 0 "[ . 1 . 2]" 1
412 1 33 ILE HA 1 58 THR MG . . 4.390 2.576 2.027 3.171 . 0 0 "[ . 1 . 2]" 1
413 1 33 ILE HB 1 58 THR H 4.400 . 4.400 4.251 3.271 4.547 0.147 13 0 "[ . 1 . 2]" 1
414 1 33 ILE MG 1 58 THR H 3.980 . 3.980 3.614 3.247 4.150 0.170 19 0 "[ . 1 . 2]" 1
415 1 33 ILE HA 1 59 ARG H 4.380 . 4.380 3.661 3.320 3.995 . 0 0 "[ . 1 . 2]" 1
416 1 34 GLY H 1 35 GLY H . . 5.390 4.398 4.132 4.585 . 0 0 "[ . 1 . 2]" 1
417 1 34 GLY HA3 1 35 GLY H 4.160 . 4.160 3.109 2.644 3.294 . 0 0 "[ . 1 . 2]" 1
418 1 34 GLY H 1 57 VAL HA 4.520 . 4.520 2.997 2.787 3.227 . 0 0 "[ . 1 . 2]" 1
419 1 34 GLY H 1 57 VAL HB 5.270 . 5.270 5.414 5.300 5.589 0.319 5 0 "[ . 1 . 2]" 1
420 1 34 GLY H 1 58 THR H 4.120 . 4.120 3.375 2.839 4.137 0.017 19 0 "[ . 1 . 2]" 1
421 1 34 GLY H 1 58 THR MG . . 3.880 3.038 1.878 3.493 . 0 0 "[ . 1 . 2]" 1
422 1 34 GLY HA2 1 58 THR MG 3.750 . 3.750 3.595 2.941 4.680 0.930 19 1 "[ . 1 . +2]" 1
423 1 35 GLY H 1 36 GLY H . . 4.320 4.194 3.621 4.557 0.237 19 0 "[ . 1 . 2]" 1
424 1 35 GLY HA2 1 36 GLY H . . 3.450 2.244 2.106 3.236 . 0 0 "[ . 1 . 2]" 1
425 1 35 GLY HA3 1 36 GLY H . . 3.360 3.146 2.098 3.468 0.108 6 0 "[ . 1 . 2]" 1
426 1 35 GLY HA3 1 39 GLN QE 5.100 . 5.100 4.448 2.699 6.017 0.917 10 3 "[* . + . -]" 1
427 1 36 GLY H 1 37 ILE H . . 4.210 2.507 1.731 4.042 0.069 15 0 "[ . 1 . 2]" 1
428 1 36 GLY H 1 37 ILE QG 4.990 . 4.990 3.777 2.857 4.481 . 0 0 "[ . 1 . 2]" 1
429 1 36 GLY H 1 37 ILE MD 4.440 . 4.440 3.430 2.076 5.877 1.437 7 1 "[ . + 1 . 2]" 1
430 1 36 GLY H 1 37 ILE MG 4.960 . 4.960 3.526 2.371 5.155 0.195 17 0 "[ . 1 . 2]" 1
431 1 36 GLY QA 1 37 ILE H 3.780 . 3.780 2.623 1.929 2.899 . 0 0 "[ . 1 . 2]" 1
432 1 36 GLY QA 1 38 ASP H 4.570 . 4.570 4.240 3.372 5.766 1.196 19 1 "[ . 1 . +2]" 1
433 1 36 GLY H 1 39 GLN QG 4.280 . 4.280 3.820 2.311 5.752 1.472 16 1 "[ . 1 .+ 2]" 1
434 1 36 GLY H 1 54 GLY HA2 5.040 . 5.040 3.943 2.989 5.089 0.049 1 0 "[ . 1 . 2]" 1
435 1 36 GLY H 1 54 GLY HA3 4.410 . 4.410 3.782 2.697 5.096 0.686 20 2 "[ .- 1 . +]" 1
436 1 36 GLY H 1 55 ILE MD . . 3.650 3.204 2.471 3.682 0.032 3 0 "[ . 1 . 2]" 1
437 1 37 ILE H 1 37 ILE HB . . 3.670 3.640 3.193 3.794 0.124 2 0 "[ . 1 . 2]" 1
438 1 37 ILE H 1 37 ILE QG . . 3.640 2.319 1.683 3.203 0.117 13 0 "[ . 1 . 2]" 1
439 1 37 ILE H 1 37 ILE MD . . 3.360 2.650 1.748 3.680 0.320 7 0 "[ . 1 . 2]" 1
440 1 37 ILE H 1 37 ILE MG . . 3.420 2.717 1.809 3.583 0.163 7 0 "[ . 1 . 2]" 1
441 1 37 ILE HA 1 37 ILE MG 2.830 . 2.830 2.235 2.115 2.388 . 0 0 "[ . 1 . 2]" 1
442 1 37 ILE HB 1 37 ILE MD . . 3.220 2.826 2.221 3.254 0.034 3 0 "[ . 1 . 2]" 1
443 1 37 ILE QG 1 37 ILE MG 3.230 . 3.230 2.341 2.084 2.500 . 0 0 "[ . 1 . 2]" 1
444 1 37 ILE H 1 38 ASP H . . 3.640 2.699 1.827 3.812 0.172 19 0 "[ . 1 . 2]" 1
445 1 37 ILE HA 1 38 ASP H 4.090 . 4.090 3.504 3.069 3.579 . 0 0 "[ . 1 . 2]" 1
446 1 37 ILE HA 1 38 ASP HA 4.590 . 4.590 4.580 4.471 4.849 0.259 17 0 "[ . 1 . 2]" 1
447 1 37 ILE QG 1 38 ASP H 3.580 . 3.580 1.873 1.331 2.983 0.469 11 0 "[ . 1 . 2]" 1
448 1 37 ILE MD 1 38 ASP H 3.630 . 3.630 2.872 1.784 3.962 0.332 16 0 "[ . 1 . 2]" 1
449 1 37 ILE MG 1 38 ASP H 4.020 . 4.020 3.831 2.990 4.021 0.001 16 0 "[ . 1 . 2]" 1
450 1 37 ILE H 1 39 GLN H 5.160 . 5.160 3.465 2.485 5.110 . 0 0 "[ . 1 . 2]" 1
451 1 37 ILE H 1 39 GLN QE 5.090 . 5.090 2.995 1.701 4.425 0.099 7 0 "[ . 1 . 2]" 1
452 1 37 ILE HA 1 39 GLN H 4.220 . 4.220 4.265 3.605 5.289 1.069 7 1 "[ . + 1 . 2]" 1
453 1 37 ILE QG 1 39 GLN H 4.500 . 4.500 3.419 1.570 4.349 0.230 17 0 "[ . 1 . 2]" 1
454 1 37 ILE MD 1 39 GLN H 4.510 . 4.510 4.099 2.566 4.776 0.266 11 0 "[ . 1 . 2]" 1
455 1 37 ILE MG 1 39 GLN H 4.850 . 4.850 4.893 4.124 5.185 0.335 1 0 "[ . 1 . 2]" 1
456 1 37 ILE H 1 55 ILE MD . . 4.490 4.401 3.178 4.862 0.372 19 0 "[ . 1 . 2]" 1
457 1 38 ASP H 1 38 ASP HB2 3.870 . 3.870 3.129 2.466 3.852 . 0 0 "[ . 1 . 2]" 1
458 1 38 ASP H 1 38 ASP HB3 3.780 . 3.780 3.016 2.455 3.582 . 0 0 "[ . 1 . 2]" 1
459 1 38 ASP H 1 39 GLN H . . 3.140 2.113 1.717 2.563 0.083 16 0 "[ . 1 . 2]" 1
460 1 38 ASP H 1 39 GLN QE 4.580 . 4.580 2.558 1.552 4.037 0.248 4 0 "[ . 1 . 2]" 1
461 1 38 ASP H 1 39 GLN QG . . 3.800 2.960 2.638 3.780 . 0 0 "[ . 1 . 2]" 1
462 1 38 ASP HA 1 39 GLN H 3.810 . 3.810 3.139 2.926 3.499 . 0 0 "[ . 1 . 2]" 1
463 1 38 ASP HB2 1 39 GLN QE 5.280 . 5.280 4.466 2.517 5.756 0.476 7 0 "[ . 1 . 2]" 1
464 1 38 ASP HB3 1 39 GLN H 4.360 . 4.360 3.843 2.394 4.630 0.270 14 0 "[ . 1 . 2]" 1
465 1 39 GLN H 1 39 GLN QE . . 4.010 2.910 1.727 3.705 0.073 6 0 "[ . 1 . 2]" 1
466 1 39 GLN H 1 39 GLN QG . . 3.150 2.166 1.748 3.197 0.052 19 0 "[ . 1 . 2]" 1
467 1 39 GLN H 1 39 GLN QB 3.440 . 3.440 2.898 2.581 3.336 . 0 0 "[ . 1 . 2]" 1
468 1 39 GLN HA 1 39 GLN QE 4.630 . 4.630 3.653 1.987 4.181 . 0 0 "[ . 1 . 2]" 1
469 1 39 GLN H 1 40 ASP H . . 3.890 3.183 1.954 4.233 0.343 16 0 "[ . 1 . 2]" 1
470 1 39 GLN HA 1 40 ASP H 3.260 . 3.260 3.307 2.240 3.554 0.294 12 0 "[ . 1 . 2]" 1
471 1 39 GLN QG 1 40 ASP H . . 3.400 3.118 2.057 3.812 0.412 6 0 "[ . 1 . 2]" 1
472 1 39 GLN QB 1 40 ASP H 3.800 . 3.800 2.107 1.585 3.684 0.215 19 0 "[ . 1 . 2]" 1
473 1 40 ASP H 1 40 ASP HB2 3.360 . 3.360 3.078 2.124 3.579 0.219 19 0 "[ . 1 . 2]" 1
474 1 40 ASP H 1 40 ASP HB3 3.350 . 3.350 3.039 2.169 3.749 0.399 13 0 "[ . 1 . 2]" 1
475 1 40 ASP H 1 41 PRO HD3 4.550 . 4.550 4.504 2.967 5.140 0.590 15 1 "[ . 1 + 2]" 1
476 1 40 ASP HA 1 42 SER H 4.090 . 4.090 3.735 2.984 4.225 0.135 6 0 "[ . 1 . 2]" 1
477 1 40 ASP HB2 1 42 SER H 4.550 . 4.550 4.432 4.050 4.902 0.352 19 0 "[ . 1 . 2]" 1
478 1 40 ASP HB3 1 42 SER H 4.580 . 4.580 3.510 2.615 4.653 0.073 13 0 "[ . 1 . 2]" 1
479 1 40 ASP H 1 43 GLN H 4.470 . 4.470 4.764 3.579 6.253 1.783 5 2 "[ + 1 . - 2]" 1
480 1 40 ASP HB2 1 43 GLN QE 4.110 . 4.110 3.293 2.234 4.091 . 0 0 "[ . 1 . 2]" 1
481 1 40 ASP HB3 1 43 GLN QE 3.970 . 3.970 2.434 1.695 4.074 0.105 6 0 "[ . 1 . 2]" 1
482 1 41 PRO HB3 1 41 PRO HD3 3.340 . 3.340 2.831 2.520 3.146 . 0 0 "[ . 1 . 2]" 1
483 1 41 PRO HA 1 42 SER H 3.930 . 3.930 3.386 3.226 3.478 . 0 0 "[ . 1 . 2]" 1
484 1 41 PRO HB2 1 42 SER H 4.280 . 4.280 3.626 3.045 3.926 . 0 0 "[ . 1 . 2]" 1
485 1 41 PRO HG2 1 42 SER H 3.640 . 3.640 2.616 2.461 2.847 . 0 0 "[ . 1 . 2]" 1
486 1 41 PRO HG3 1 42 SER H 3.770 . 3.770 4.051 3.789 4.186 0.416 7 0 "[ . 1 . 2]" 1
487 1 41 PRO HA 1 43 GLN H 4.290 . 4.290 3.965 3.084 4.336 0.046 4 0 "[ . 1 . 2]" 1
488 1 41 PRO HA 1 44 ASN H 3.980 . 3.980 3.511 2.892 4.078 0.098 12 0 "[ . 1 . 2]" 1
489 1 42 SER H 1 42 SER HA 3.110 . 3.110 2.818 2.713 2.923 . 0 0 "[ . 1 . 2]" 1
490 1 42 SER H 1 42 SER QB . . 3.130 2.403 2.171 2.687 . 0 0 "[ . 1 . 2]" 1
491 1 42 SER H 1 43 GLN H . . 3.280 2.626 2.182 2.960 . 0 0 "[ . 1 . 2]" 1
492 1 42 SER H 1 43 GLN QB 4.740 . 4.740 4.722 4.520 5.439 0.699 9 1 "[ . +1 . 2]" 1
493 1 42 SER QB 1 43 GLN H 3.940 . 3.940 2.758 2.342 3.306 . 0 0 "[ . 1 . 2]" 1
494 1 42 SER QB 1 43 GLN QE 4.940 . 4.940 3.752 2.368 4.954 0.014 8 0 "[ . 1 . 2]" 1
495 1 42 SER H 1 44 ASN H . . 4.260 3.956 3.477 4.327 0.067 9 0 "[ . 1 . 2]" 1
496 1 43 GLN H 1 43 GLN QB . . 3.370 2.526 2.177 3.012 . 0 0 "[ . 1 . 2]" 1
497 1 43 GLN H 1 43 GLN QE 4.620 . 4.620 2.965 2.137 4.192 . 0 0 "[ . 1 . 2]" 1
498 1 43 GLN H 1 43 GLN HG2 3.510 . 3.510 2.541 1.760 3.774 0.264 1 0 "[ . 1 . 2]" 1
499 1 43 GLN H 1 43 GLN HG3 3.430 . 3.430 3.139 1.726 3.840 0.410 13 0 "[ . 1 . 2]" 1
500 1 43 GLN HA 1 43 GLN HG3 3.800 . 3.800 3.620 2.536 4.190 0.390 15 0 "[ . 1 . 2]" 1
501 1 43 GLN QE 1 43 GLN HG2 . . 3.300 2.586 2.109 3.302 0.002 11 0 "[ . 1 . 2]" 1
502 1 43 GLN H 1 44 ASN H . . 3.150 2.232 1.898 2.577 . 0 0 "[ . 1 . 2]" 1
503 1 43 GLN H 1 44 ASN QB 4.440 . 4.440 4.200 3.848 4.409 . 0 0 "[ . 1 . 2]" 1
504 1 43 GLN HA 1 44 ASN H . . 3.600 3.385 3.218 3.521 . 0 0 "[ . 1 . 2]" 1
505 1 43 GLN QB 1 44 ASN H . . 4.150 3.321 1.992 3.819 . 0 0 "[ . 1 . 2]" 1
506 1 43 GLN QE 1 44 ASN H 4.660 . 4.660 4.316 2.950 4.735 0.075 11 0 "[ . 1 . 2]" 1
507 1 43 GLN HG2 1 44 ASN H 4.300 . 4.300 3.322 1.640 5.117 0.817 1 4 "[+ *. 1- . *]" 1
508 1 44 ASN H 1 44 ASN QB . . 3.150 2.545 2.165 2.869 . 0 0 "[ . 1 . 2]" 1
509 1 44 ASN H 1 45 PRO HD2 4.220 . 4.220 4.251 2.237 4.625 0.405 7 0 "[ . 1 . 2]" 1
510 1 44 ASN H 1 45 PRO HD3 4.440 . 4.440 3.710 2.879 4.646 0.206 19 0 "[ . 1 . 2]" 1
511 1 44 ASN HA 1 46 PHE H 4.750 . 4.750 3.215 2.719 3.813 . 0 0 "[ . 1 . 2]" 1
512 1 44 ASN QB 1 46 PHE H 4.960 . 4.960 3.615 2.773 4.466 . 0 0 "[ . 1 . 2]" 1
513 1 44 ASN HA 1 47 SER H 3.840 . 3.840 3.849 2.082 4.221 0.381 10 0 "[ . 1 . 2]" 1
514 1 44 ASN QB 1 47 SER H . . 4.030 3.255 2.086 4.001 . 0 0 "[ . 1 . 2]" 1
515 1 45 PRO HA 1 46 PHE H . . 4.340 3.333 2.956 3.519 . 0 0 "[ . 1 . 2]" 1
516 1 45 PRO HB2 1 46 PHE H 4.910 . 4.910 3.788 3.123 4.310 . 0 0 "[ . 1 . 2]" 1
517 1 45 PRO HB3 1 46 PHE H 4.640 . 4.640 4.398 4.171 4.601 . 0 0 "[ . 1 . 2]" 1
518 1 45 PRO HD2 1 46 PHE H 4.310 . 4.310 2.814 2.273 3.377 . 0 0 "[ . 1 . 2]" 1
519 1 45 PRO HD3 1 46 PHE H 3.970 . 3.970 3.905 3.602 4.280 0.310 4 0 "[ . 1 . 2]" 1
520 1 45 PRO HG2 1 46 PHE H 4.910 . 4.910 3.231 2.406 4.344 . 0 0 "[ . 1 . 2]" 1
521 1 45 PRO HG3 1 46 PHE H 4.370 . 4.370 4.446 3.923 5.065 0.695 4 1 "[ +. 1 . 2]" 1
522 1 46 PHE H 1 46 PHE HB2 3.870 . 3.870 2.796 2.344 3.549 . 0 0 "[ . 1 . 2]" 1
523 1 46 PHE H 1 46 PHE HB3 . . 3.950 3.263 2.519 3.799 . 0 0 "[ . 1 . 2]" 1
524 1 46 PHE H 1 46 PHE QD 4.760 . 4.760 3.685 2.448 4.529 . 0 0 "[ . 1 . 2]" 1
525 1 46 PHE H 1 47 SER H . . 3.130 2.132 1.759 2.526 0.041 9 0 "[ . 1 . 2]" 1
526 1 46 PHE HA 1 47 SER H 3.600 . 3.600 3.496 3.180 3.588 . 0 0 "[ . 1 . 2]" 1
527 1 46 PHE HB2 1 47 SER H 3.840 . 3.840 3.415 2.073 4.171 0.331 7 0 "[ . 1 . 2]" 1
528 1 46 PHE HB3 1 47 SER H 3.900 . 3.900 3.234 2.107 4.087 0.187 1 0 "[ . 1 . 2]" 1
529 1 46 PHE QD 1 47 SER H 4.650 . 4.650 4.108 3.158 4.785 0.135 7 0 "[ . 1 . 2]" 1
530 1 47 SER H 1 47 SER QB . . 3.210 2.900 2.367 3.230 0.020 1 0 "[ . 1 . 2]" 1
531 1 47 SER H 1 48 GLU H . . 4.070 3.440 2.041 4.354 0.284 20 0 "[ . 1 . 2]" 1
532 1 47 SER H 1 48 GLU QB 4.510 . 4.510 4.505 3.943 5.661 1.151 19 1 "[ . 1 . +2]" 1
533 1 47 SER HA 1 48 GLU H . . 3.360 2.966 2.189 3.516 0.156 16 0 "[ . 1 . 2]" 1
534 1 47 SER QB 1 48 GLU H . . 4.180 2.507 1.744 3.660 0.056 6 0 "[ . 1 . 2]" 1
535 1 47 SER QB 1 49 ASP H 4.210 . 4.210 3.569 2.730 4.009 . 0 0 "[ . 1 . 2]" 1
536 1 47 SER QB 1 52 ASP H 5.150 . 5.150 4.283 2.817 5.100 . 0 0 "[ . 1 . 2]" 1
537 1 48 GLU H 1 48 GLU QB 3.570 . 3.570 2.926 2.000 3.406 . 0 0 "[ . 1 . 2]" 1
538 1 48 GLU H 1 48 GLU HG3 4.470 . 4.470 4.460 2.863 5.312 0.842 18 4 "[ * . * - . + 2]" 1
539 1 48 GLU HA 1 48 GLU HG3 4.000 . 4.000 3.297 2.386 3.854 . 0 0 "[ . 1 . 2]" 1
540 1 48 GLU H 1 49 ASP H . . 3.670 2.512 1.727 3.551 0.073 20 0 "[ . 1 . 2]" 1
541 1 48 GLU HA 1 49 ASP H . . 3.880 3.381 2.762 3.562 . 0 0 "[ . 1 . 2]" 1
542 1 48 GLU QB 1 49 ASP H 3.970 . 3.970 2.877 1.596 3.813 0.204 18 0 "[ . 1 . 2]" 1
543 1 48 GLU H 1 52 ASP H 5.180 . 5.180 4.606 3.103 5.286 0.106 1 0 "[ . 1 . 2]" 1
544 1 48 GLU H 1 52 ASP QB . . 4.830 3.414 2.341 4.477 . 0 0 "[ . 1 . 2]" 1
545 1 48 GLU HA 1 52 ASP QB 4.600 . 4.600 4.007 1.660 6.661 2.061 14 1 "[ . 1 +. 2]" 1
546 1 49 ASP H 1 49 ASP HB2 3.710 . 3.710 3.151 2.277 3.834 0.124 5 0 "[ . 1 . 2]" 1
547 1 49 ASP H 1 49 ASP HB3 3.760 . 3.760 2.963 2.443 3.831 0.071 7 0 "[ . 1 . 2]" 1
548 1 49 ASP H 1 50 LYS H 4.490 . 4.490 2.944 1.774 4.324 0.026 5 0 "[ . 1 . 2]" 1
549 1 49 ASP HA 1 50 LYS H 3.380 . 3.380 2.900 2.086 3.536 0.156 6 0 "[ . 1 . 2]" 1
550 1 49 ASP HB2 1 50 LYS H 4.510 . 4.510 4.077 3.353 4.595 0.085 2 0 "[ . 1 . 2]" 1
551 1 49 ASP HB3 1 50 LYS H 4.440 . 4.440 3.489 1.846 4.388 . 0 0 "[ . 1 . 2]" 1
552 1 49 ASP H 1 51 THR H 5.370 . 5.370 4.557 3.380 5.388 0.018 6 0 "[ . 1 . 2]" 1
553 1 49 ASP H 1 52 ASP H 4.350 . 4.350 3.727 2.912 4.482 0.132 15 0 "[ . 1 . 2]" 1
554 1 49 ASP H 1 52 ASP QB 4.850 . 4.850 3.066 1.870 4.281 . 0 0 "[ . 1 . 2]" 1
555 1 50 LYS H 1 50 LYS QD 3.680 . 3.680 2.870 1.732 3.916 0.236 16 0 "[ . 1 . 2]" 1
556 1 50 LYS H 1 51 THR H 3.970 . 3.970 3.235 1.870 4.003 0.033 7 0 "[ . 1 . 2]" 1
557 1 50 LYS HA 1 51 THR H 4.270 . 4.270 3.297 2.064 3.557 . 0 0 "[ . 1 . 2]" 1
558 1 50 LYS QB 1 51 THR H 4.360 . 4.360 2.404 1.798 3.816 0.002 6 0 "[ . 1 . 2]" 1
559 1 50 LYS QB 1 51 THR HA 4.510 . 4.510 4.136 3.392 5.204 0.694 9 1 "[ . +1 . 2]" 1
560 1 50 LYS QB 1 51 THR MG 4.180 . 4.180 3.230 2.075 4.362 0.182 18 0 "[ . 1 . 2]" 1
561 1 50 LYS QD 1 51 THR H . . 3.890 3.793 1.766 4.196 0.306 4 0 "[ . 1 . 2]" 1
562 1 50 LYS H 1 52 ASP H 5.130 . 5.130 3.373 2.094 4.263 . 0 0 "[ . 1 . 2]" 1
563 1 50 LYS HA 1 52 ASP H 4.020 . 4.020 4.053 3.536 4.501 0.481 17 0 "[ . 1 . 2]" 1
564 1 50 LYS QB 1 52 ASP H 4.050 . 4.050 3.902 2.435 4.508 0.458 10 0 "[ . 1 . 2]" 1
565 1 51 THR H 1 51 THR MG . . 3.760 2.657 1.848 3.737 . 0 0 "[ . 1 . 2]" 1
566 1 51 THR H 1 52 ASP H . . 3.070 2.512 1.783 3.057 0.017 17 0 "[ . 1 . 2]" 1
567 1 51 THR H 1 52 ASP QB 4.410 . 4.410 4.149 3.521 4.434 0.024 16 0 "[ . 1 . 2]" 1
568 1 51 THR HA 1 52 ASP H 3.690 . 3.690 3.092 2.742 3.359 . 0 0 "[ . 1 . 2]" 1
569 1 51 THR MG 1 52 ASP H . . 4.140 3.873 2.871 4.326 0.186 18 0 "[ . 1 . 2]" 1
570 1 52 ASP H 1 52 ASP QB . . 3.280 2.382 2.021 2.936 . 0 0 "[ . 1 . 2]" 1
571 1 52 ASP H 1 53 LYS H . . 4.040 3.506 2.376 4.448 0.408 14 0 "[ . 1 . 2]" 1
572 1 52 ASP HA 1 53 LYS H . . 3.520 3.082 2.140 3.549 0.029 16 0 "[ . 1 . 2]" 1
573 1 52 ASP QB 1 53 LYS H 3.800 . 3.800 2.435 1.742 3.436 0.058 15 0 "[ . 1 . 2]" 1
574 1 52 ASP H 1 54 GLY H 5.500 . 5.500 5.079 3.702 5.651 0.151 17 0 "[ . 1 . 2]" 1
575 1 52 ASP HA 1 54 GLY H 4.000 . 4.000 3.946 3.546 4.249 0.249 19 0 "[ . 1 . 2]" 1
576 1 52 ASP QB 1 54 GLY H . . 3.890 2.949 2.345 3.738 . 0 0 "[ . 1 . 2]" 1
577 1 52 ASP QB 1 54 GLY HA2 4.610 . 4.610 4.278 3.717 4.753 0.143 4 0 "[ . 1 . 2]" 1
578 1 52 ASP QB 1 54 GLY HA3 4.710 . 4.710 4.322 3.485 4.729 0.019 2 0 "[ . 1 . 2]" 1
579 1 53 LYS H 1 53 LYS HB2 3.790 . 3.790 3.228 2.454 3.739 . 0 0 "[ . 1 . 2]" 1
580 1 53 LYS H 1 53 LYS QD 3.940 . 3.940 2.982 2.017 4.181 0.241 2 0 "[ . 1 . 2]" 1
581 1 53 LYS H 1 53 LYS QG 4.710 . 4.710 3.417 2.101 4.542 . 0 0 "[ . 1 . 2]" 1
582 1 53 LYS H 1 54 GLY HA2 4.690 . 4.690 4.605 3.771 5.328 0.638 5 1 "[ + 1 . 2]" 1
583 1 53 LYS HA 1 54 GLY H 4.090 . 4.090 3.265 2.719 3.559 . 0 0 "[ . 1 . 2]" 1
584 1 53 LYS HB2 1 54 GLY H 4.680 . 4.680 3.507 2.503 4.386 . 0 0 "[ . 1 . 2]" 1
585 1 53 LYS QD 1 54 GLY H 4.480 . 4.480 4.375 3.901 4.657 0.177 1 0 "[ . 1 . 2]" 1
586 1 53 LYS QG 1 54 GLY H 4.720 . 4.720 4.386 3.495 4.825 0.105 11 0 "[ . 1 . 2]" 1
587 1 54 GLY H 1 55 ILE H . . 4.040 2.844 2.375 3.331 . 0 0 "[ . 1 . 2]" 1
588 1 54 GLY HA2 1 55 ILE H . . 3.890 3.250 2.593 3.583 . 0 0 "[ . 1 . 2]" 1
589 1 54 GLY HA3 1 55 ILE H 3.780 . 3.780 3.182 2.459 3.548 . 0 0 "[ . 1 . 2]" 1
590 1 54 GLY H 1 78 MET ME 4.820 . 4.820 4.321 3.434 4.813 . 0 0 "[ . 1 . 2]" 1
591 1 55 ILE H 1 55 ILE HB . . 3.750 2.639 2.507 2.770 . 0 0 "[ . 1 . 2]" 1
592 1 55 ILE H 1 55 ILE MD 4.120 . 4.120 3.741 3.362 4.073 . 0 0 "[ . 1 . 2]" 1
593 1 55 ILE H 1 55 ILE QG 4.280 . 4.280 2.795 2.403 3.026 . 0 0 "[ . 1 . 2]" 1
594 1 55 ILE H 1 55 ILE MG 4.080 . 4.080 3.850 3.784 3.905 . 0 0 "[ . 1 . 2]" 1
595 1 55 ILE HA 1 55 ILE MD 3.520 . 3.520 2.060 1.801 2.214 . 0 0 "[ . 1 . 2]" 1
596 1 55 ILE MD 1 55 ILE MG . . 3.250 1.992 1.893 2.137 . 0 0 "[ . 1 . 2]" 1
597 1 55 ILE H 1 56 TYR H 4.920 . 4.920 4.283 4.060 4.497 . 0 0 "[ . 1 . 2]" 1
598 1 55 ILE HA 1 56 TYR H 3.740 . 3.740 2.171 2.116 2.243 . 0 0 "[ . 1 . 2]" 1
599 1 55 ILE HB 1 56 TYR H 4.810 . 4.810 4.266 4.113 4.428 . 0 0 "[ . 1 . 2]" 1
600 1 55 ILE MD 1 56 TYR H 4.340 . 4.340 3.704 3.338 3.963 . 0 0 "[ . 1 . 2]" 1
601 1 55 ILE MG 1 56 TYR H 3.870 . 3.870 2.828 2.467 3.152 . 0 0 "[ . 1 . 2]" 1
602 1 55 ILE HB 1 77 ILE H 4.390 . 4.390 4.149 3.589 4.413 0.023 15 0 "[ . 1 . 2]" 1
603 1 55 ILE H 1 78 MET ME 4.100 . 4.100 3.154 2.634 3.693 . 0 0 "[ . 1 . 2]" 1
604 1 55 ILE HB 1 78 MET ME 3.260 . 3.260 2.808 2.581 2.959 . 0 0 "[ . 1 . 2]" 1
605 1 55 ILE QG 1 78 MET ME 3.840 . 3.840 3.895 3.395 4.002 0.162 3 0 "[ . 1 . 2]" 1
606 1 55 ILE MG 1 78 MET ME 3.460 . 3.460 3.570 3.475 3.669 0.209 6 0 "[ . 1 . 2]" 1
607 1 55 ILE MD 1 85 MET ME 4.050 . 4.050 3.879 3.347 4.239 0.189 4 0 "[ . 1 . 2]" 1
608 1 55 ILE MG 1 85 MET ME . . 2.980 3.115 2.847 3.364 0.384 12 0 "[ . 1 . 2]" 1
609 1 56 TYR H 1 56 TYR HB2 4.160 . 4.160 3.888 2.606 4.051 . 0 0 "[ . 1 . 2]" 1
610 1 56 TYR H 1 56 TYR HB3 4.380 . 4.380 3.353 2.706 3.739 . 0 0 "[ . 1 . 2]" 1
611 1 56 TYR H 1 56 TYR QD 4.150 . 4.150 2.834 1.910 4.163 0.013 1 0 "[ . 1 . 2]" 1
612 1 56 TYR HA 1 57 VAL H 3.550 . 3.550 2.376 2.148 2.565 . 0 0 "[ . 1 . 2]" 1
613 1 56 TYR HA 1 57 VAL QG 4.830 . 4.830 4.193 3.797 4.369 . 0 0 "[ . 1 . 2]" 1
614 1 56 TYR HB2 1 57 VAL H 4.220 . 4.220 2.790 2.312 4.081 . 0 0 "[ . 1 . 2]" 1
615 1 56 TYR HB3 1 57 VAL H 4.030 . 4.030 3.873 2.355 4.388 0.358 6 0 "[ . 1 . 2]" 1
616 1 56 TYR QD 1 57 VAL H 4.550 . 4.550 3.569 3.140 3.931 . 0 0 "[ . 1 . 2]" 1
617 1 56 TYR QD 1 74 GLY H 4.970 . 4.970 4.448 3.825 5.137 0.167 1 0 "[ . 1 . 2]" 1
618 1 56 TYR QD 1 75 ASP H 5.190 . 5.190 3.336 2.736 4.130 . 0 0 "[ . 1 . 2]" 1
619 1 56 TYR HA 1 76 LYS H 5.070 . 5.070 4.307 3.928 4.547 . 0 0 "[ . 1 . 2]" 1
620 1 56 TYR QD 1 76 LYS H 5.500 . 5.500 5.288 3.898 5.638 0.138 5 0 "[ . 1 . 2]" 1
621 1 56 TYR H 1 77 ILE H 4.610 . 4.610 4.210 3.855 4.544 . 0 0 "[ . 1 . 2]" 1
622 1 56 TYR HA 1 77 ILE H . . 4.150 2.057 1.805 2.889 . 0 0 "[ . 1 . 2]" 1
623 1 56 TYR HB3 1 77 ILE H 4.690 . 4.690 4.144 3.652 5.677 0.987 1 2 "[+ .- 1 . 2]" 1
624 1 56 TYR QD 1 77 ILE H 5.100 . 5.100 5.165 4.868 5.275 0.175 18 0 "[ . 1 . 2]" 1
625 1 57 VAL H 1 57 VAL HB 3.680 . 3.680 2.264 2.162 2.520 . 0 0 "[ . 1 . 2]" 1
626 1 57 VAL H 1 57 VAL QG . . 3.200 2.518 2.361 2.662 . 0 0 "[ . 1 . 2]" 1
627 1 57 VAL HA 1 58 THR H 3.290 . 3.290 2.156 2.091 2.225 . 0 0 "[ . 1 . 2]" 1
628 1 57 VAL HA 1 58 THR MG 3.890 . 3.890 3.624 2.938 3.840 . 0 0 "[ . 1 . 2]" 1
629 1 57 VAL HB 1 58 THR H 4.890 . 4.890 4.246 4.157 4.323 . 0 0 "[ . 1 . 2]" 1
630 1 57 VAL QG 1 58 THR H 3.460 . 3.460 2.494 2.296 2.651 . 0 0 "[ . 1 . 2]" 1
631 1 57 VAL HA 1 59 ARG H 3.790 . 3.790 3.542 3.358 3.753 . 0 0 "[ . 1 . 2]" 1
632 1 57 VAL HB 1 59 ARG H 4.730 . 4.730 4.764 4.566 4.954 0.224 10 0 "[ . 1 . 2]" 1
633 1 57 VAL QG 1 59 ARG H . . 3.270 2.088 1.955 2.218 . 0 0 "[ . 1 . 2]" 1
634 1 57 VAL QG 1 71 LEU QD 3.530 . 3.530 1.784 1.489 2.356 0.311 2 0 "[ . 1 . 2]" 1
635 1 57 VAL QG 1 72 GLN H . . 3.550 3.156 2.862 3.325 . 0 0 "[ . 1 . 2]" 1
636 1 57 VAL H 1 73 ILE HA 4.840 . 4.840 5.838 5.091 6.309 1.469 6 14 "[* - .+* *** **** ***]" 1
637 1 57 VAL QG 1 73 ILE MD 3.830 . 3.830 3.170 2.173 3.585 . 0 0 "[ . 1 . 2]" 1
638 1 57 VAL QG 1 73 ILE HA . . 3.640 2.303 1.782 2.603 0.018 5 0 "[ . 1 . 2]" 1
639 1 57 VAL H 1 74 GLY H 4.620 . 4.620 4.082 3.474 4.478 . 0 0 "[ . 1 . 2]" 1
640 1 57 VAL H 1 74 GLY HA2 5.320 . 5.320 4.310 3.885 4.627 . 0 0 "[ . 1 . 2]" 1
641 1 57 VAL HB 1 74 GLY H 3.970 . 3.970 3.877 2.233 4.210 0.240 6 0 "[ . 1 . 2]" 1
642 1 57 VAL QG 1 74 GLY H 3.620 . 3.620 1.538 1.286 2.301 0.514 10 1 "[ . + . 2]" 1
643 1 57 VAL H 1 75 ASP H . . 3.970 2.335 1.896 2.716 . 0 0 "[ . 1 . 2]" 1
644 1 57 VAL HB 1 75 ASP H 3.210 . 3.210 3.165 1.822 3.469 0.259 19 0 "[ . 1 . 2]" 1
645 1 57 VAL QG 1 75 ASP H . . 3.170 1.910 1.696 2.950 0.104 19 0 "[ . 1 . 2]" 1
646 1 57 VAL QG 1 75 ASP QB 3.720 . 3.720 2.113 1.657 3.277 0.143 18 0 "[ . 1 . 2]" 1
647 1 57 VAL H 1 76 LYS HA . . 4.270 3.420 3.021 3.805 . 0 0 "[ . 1 . 2]" 1
648 1 58 THR H 1 58 THR MG . . 3.660 2.128 1.948 2.717 . 0 0 "[ . 1 . 2]" 1
649 1 58 THR H 1 59 ARG H . . 3.130 1.939 1.802 2.141 . 0 0 "[ . 1 . 2]" 1
650 1 58 THR H 1 59 ARG QG 4.880 . 4.880 4.493 3.736 5.230 0.350 13 0 "[ . 1 . 2]" 1
651 1 58 THR HA 1 59 ARG H . . 3.350 3.358 3.253 3.430 0.080 10 0 "[ . 1 . 2]" 1
652 1 58 THR HB 1 59 ARG H 4.390 . 4.390 4.268 3.730 4.482 0.092 19 0 "[ . 1 . 2]" 1
653 1 58 THR MG 1 59 ARG H . . 3.620 2.947 2.581 3.972 0.352 10 0 "[ . 1 . 2]" 1
654 1 58 THR HA 1 74 GLY H 4.470 . 4.470 3.861 3.654 4.050 . 0 0 "[ . 1 . 2]" 1
655 1 59 ARG H 1 59 ARG QB . . 3.490 3.026 2.600 3.424 . 0 0 "[ . 1 . 2]" 1
656 1 59 ARG H 1 59 ARG QG 3.870 . 3.870 3.317 2.571 3.839 . 0 0 "[ . 1 . 2]" 1
657 1 59 ARG QB 1 59 ARG HE 4.210 . 4.210 2.737 1.956 3.929 . 0 0 "[ . 1 . 2]" 1
658 1 59 ARG H 1 60 VAL H . . 4.360 4.304 4.152 4.365 0.005 7 0 "[ . 1 . 2]" 1
659 1 59 ARG H 1 60 VAL QG 4.380 . 4.380 3.871 3.606 4.054 . 0 0 "[ . 1 . 2]" 1
660 1 59 ARG HA 1 60 VAL H . . 2.990 2.392 2.081 2.528 . 0 0 "[ . 1 . 2]" 1
661 1 59 ARG QB 1 60 VAL H . . 3.380 2.423 1.869 3.241 . 0 0 "[ . 1 . 2]" 1
662 1 59 ARG HD2 1 60 VAL H . . 4.550 4.243 2.752 4.730 0.180 15 0 "[ . 1 . 2]" 1
663 1 59 ARG HD3 1 60 VAL H . . 4.580 4.315 3.251 4.716 0.136 11 0 "[ . 1 . 2]" 1
664 1 59 ARG QG 1 60 VAL H 3.540 . 3.540 2.727 1.845 3.668 0.128 16 0 "[ . 1 . 2]" 1
665 1 59 ARG H 1 73 ILE HA 4.600 . 4.600 4.111 3.946 4.384 . 0 0 "[ . 1 . 2]" 1
666 1 59 ARG H 1 73 ILE MD . . 4.470 3.910 2.829 4.496 0.026 1 0 "[ . 1 . 2]" 1
667 1 59 ARG H 1 73 ILE MG . . 3.720 3.529 3.160 3.766 0.046 10 0 "[ . 1 . 2]" 1
668 1 59 ARG HA 1 73 ILE MD 3.540 . 3.540 2.013 1.742 2.631 0.058 2 0 "[ . 1 . 2]" 1
669 1 59 ARG HA 1 73 ILE MG 3.710 . 3.710 2.129 1.728 3.326 0.072 6 0 "[ . 1 . 2]" 1
670 1 59 ARG H 1 74 GLY H . . 4.610 4.556 4.259 4.831 0.221 5 0 "[ . 1 . 2]" 1
671 1 60 VAL H 1 60 VAL HB 3.470 . 3.470 2.845 2.657 3.848 0.378 13 0 "[ . 1 . 2]" 1
672 1 60 VAL H 1 60 VAL QG 3.390 . 3.390 2.966 2.319 3.143 . 0 0 "[ . 1 . 2]" 1
673 1 60 VAL H 1 61 SER H 4.200 . 4.200 4.157 3.824 4.364 0.164 13 0 "[ . 1 . 2]" 1
674 1 60 VAL HA 1 61 SER H 2.830 . 2.830 2.219 2.149 2.388 . 0 0 "[ . 1 . 2]" 1
675 1 60 VAL HB 1 61 SER H 4.400 . 4.400 4.134 2.605 4.376 . 0 0 "[ . 1 . 2]" 1
676 1 60 VAL QG 1 61 SER H . . 3.510 2.555 2.318 2.983 . 0 0 "[ . 1 . 2]" 1
677 1 60 VAL QG 1 62 GLU H 4.850 . 4.850 3.471 2.596 3.934 . 0 0 "[ . 1 . 2]" 1
678 1 60 VAL QG 1 63 GLY H 4.730 . 4.730 4.055 3.730 4.754 0.024 15 0 "[ . 1 . 2]" 1
679 1 60 VAL QG 1 66 ALA H 3.410 . 3.410 3.391 3.023 3.701 0.291 15 0 "[ . 1 . 2]" 1
680 1 60 VAL QG 1 66 ALA MB 3.020 . 3.020 1.913 1.678 2.330 0.122 16 0 "[ . 1 . 2]" 1
681 1 60 VAL QG 1 67 GLU H . . 3.520 2.983 2.776 3.177 . 0 0 "[ . 1 . 2]" 1
682 1 60 VAL QG 1 67 GLU HA 3.640 . 3.640 3.290 2.928 3.419 . 0 0 "[ . 1 . 2]" 1
683 1 60 VAL QG 1 67 GLU QG . . 3.520 2.409 2.059 3.392 . 0 0 "[ . 1 . 2]" 1
684 1 60 VAL QG 1 67 GLU QB 4.140 . 4.140 2.065 1.667 2.480 0.133 11 0 "[ . 1 . 2]" 1
685 1 60 VAL QG 1 71 LEU QB 3.830 . 3.830 3.011 2.536 3.603 . 0 0 "[ . 1 . 2]" 1
686 1 60 VAL QG 1 71 LEU QD 4.060 . 4.060 1.799 1.408 2.054 0.392 14 0 "[ . 1 . 2]" 1
687 1 60 VAL QG 1 72 GLN H 3.680 . 3.680 3.123 2.628 3.548 . 0 0 "[ . 1 . 2]" 1
688 1 60 VAL QG 1 72 GLN HA 3.780 . 3.780 2.311 1.926 3.007 . 0 0 "[ . 1 . 2]" 1
689 1 60 VAL H 1 73 ILE MD 3.700 . 3.700 2.384 1.950 2.719 . 0 0 "[ . 1 . 2]" 1
690 1 60 VAL HB 1 73 ILE MD 4.590 . 4.590 2.223 1.821 4.164 . 0 0 "[ . 1 . 2]" 1
691 1 60 VAL QG 1 73 ILE H 3.460 . 3.460 3.549 3.415 3.696 0.236 10 0 "[ . 1 . 2]" 1
692 1 60 VAL QG 1 73 ILE HA 4.120 . 4.120 3.067 2.741 3.574 . 0 0 "[ . 1 . 2]" 1
693 1 60 VAL QG 1 73 ILE MD 4.080 . 4.080 1.846 1.690 2.088 0.110 13 0 "[ . 1 . 2]" 1
694 1 61 SER H 1 61 SER HB2 . . 3.590 3.140 2.547 3.587 . 0 0 "[ . 1 . 2]" 1
695 1 61 SER H 1 61 SER HB3 . . 3.250 3.231 2.656 3.741 0.491 15 0 "[ . 1 . 2]" 1
696 1 61 SER H 1 62 GLU H . . 4.240 4.252 3.645 4.389 0.149 9 0 "[ . 1 . 2]" 1
697 1 61 SER HA 1 62 GLU H . . 2.730 2.107 2.038 2.154 . 0 0 "[ . 1 . 2]" 1
698 1 61 SER HB2 1 62 GLU H . . 3.700 3.942 3.541 4.291 0.591 8 6 "[ -* . + 1 ** *]" 1
699 1 61 SER HB3 1 62 GLU H 3.940 . 3.940 3.975 3.602 4.226 0.286 6 0 "[ . 1 . 2]" 1
700 1 61 SER H 1 66 ALA MB 4.360 . 4.360 3.822 2.991 4.413 0.053 15 0 "[ . 1 . 2]" 1
701 1 62 GLU H 1 62 GLU HB2 . . 3.040 2.689 2.050 3.505 0.465 17 0 "[ . 1 . 2]" 1
702 1 62 GLU H 1 62 GLU HB3 3.040 . 3.040 2.975 2.176 3.465 0.425 4 0 "[ . 1 . 2]" 1
703 1 62 GLU H 1 62 GLU QG 3.790 . 3.790 2.557 1.814 3.772 . 0 0 "[ . 1 . 2]" 1
704 1 62 GLU H 1 63 GLY H . . 4.110 4.373 4.234 4.402 0.292 17 0 "[ . 1 . 2]" 1
705 1 62 GLU HA 1 63 GLY H . . 2.930 2.041 1.922 2.186 . 0 0 "[ . 1 . 2]" 1
706 1 62 GLU HB2 1 63 GLY H 3.630 . 3.630 3.438 2.462 3.987 0.357 10 0 "[ . 1 . 2]" 1
707 1 62 GLU HB3 1 63 GLY H 3.630 . 3.630 3.226 2.491 4.001 0.371 14 0 "[ . 1 . 2]" 1
708 1 62 GLU QG 1 63 GLY H . . 3.720 3.386 2.144 3.696 . 0 0 "[ . 1 . 2]" 1
709 1 62 GLU H 1 64 GLY H . . 4.890 4.931 4.728 5.217 0.327 15 0 "[ . 1 . 2]" 1
710 1 62 GLU HA 1 64 GLY H 3.690 . 3.690 3.167 2.885 3.460 . 0 0 "[ . 1 . 2]" 1
711 1 63 GLY H 1 64 GLY H . . 3.490 2.535 1.656 2.705 0.144 15 0 "[ . 1 . 2]" 1
712 1 63 GLY HA2 1 64 GLY H 3.770 . 3.770 2.960 2.785 3.432 . 0 0 "[ . 1 . 2]" 1
713 1 63 GLY HA3 1 64 GLY H 3.500 . 3.500 3.499 3.142 3.539 0.039 11 0 "[ . 1 . 2]" 1
714 1 63 GLY H 1 67 GLU H 5.190 . 5.190 5.315 5.259 5.388 0.198 11 0 "[ . 1 . 2]" 1
715 1 64 GLY H 1 65 PRO HD2 4.280 . 4.280 3.809 2.412 4.354 0.074 14 0 "[ . 1 . 2]" 1
716 1 64 GLY HA3 1 65 PRO HD3 4.350 . 4.350 2.010 1.675 4.182 0.125 12 0 "[ . 1 . 2]" 1
717 1 64 GLY HA3 1 65 PRO HD2 4.510 . 4.510 2.646 2.406 3.624 . 0 0 "[ . 1 . 2]" 1
718 1 64 GLY HA2 1 65 PRO HD3 4.340 . 4.340 2.944 2.496 3.536 . 0 0 "[ . 1 . 2]" 1
719 1 64 GLY HA2 1 65 PRO HD2 4.240 . 4.240 3.831 1.657 4.155 0.143 14 0 "[ . 1 . 2]" 1
720 1 64 GLY H 1 66 ALA H 3.930 . 3.930 4.200 3.732 4.339 0.409 11 0 "[ . 1 . 2]" 1
721 1 64 GLY HA3 1 66 ALA H 4.310 . 4.310 3.818 3.543 4.873 0.563 15 1 "[ . 1 + 2]" 1
722 1 64 GLY H 1 67 GLU H . . 4.190 3.948 3.838 4.298 0.108 15 0 "[ . 1 . 2]" 1
723 1 64 GLY H 1 67 GLU QG 3.720 . 3.720 2.561 2.302 3.287 . 0 0 "[ . 1 . 2]" 1
724 1 64 GLY HA3 1 67 GLU H 4.690 . 4.690 4.817 4.577 5.356 0.666 15 1 "[ . 1 + 2]" 1
725 1 64 GLY H 1 68 ILE H 4.650 . 4.650 4.699 4.464 4.960 0.310 15 0 "[ . 1 . 2]" 1
726 1 65 PRO HA 1 66 ALA H 3.900 . 3.900 3.506 3.103 3.630 . 0 0 "[ . 1 . 2]" 1
727 1 65 PRO HB2 1 66 ALA H 4.000 . 4.000 3.134 2.492 3.685 . 0 0 "[ . 1 . 2]" 1
728 1 65 PRO HB3 1 66 ALA H 3.830 . 3.830 4.080 3.904 4.327 0.497 6 0 "[ . 1 . 2]" 1
729 1 65 PRO HD3 1 66 ALA H 4.190 . 4.190 3.496 3.266 4.449 0.259 14 0 "[ . 1 . 2]" 1
730 1 65 PRO HD2 1 66 ALA H 4.090 . 4.090 2.083 1.664 4.379 0.289 6 0 "[ . 1 . 2]" 1
731 1 65 PRO HA 1 67 GLU H 4.610 . 4.610 4.435 3.336 4.659 0.049 8 0 "[ . 1 . 2]" 1
732 1 65 PRO HB2 1 67 GLU H 4.870 . 4.870 5.026 4.689 5.257 0.387 6 0 "[ . 1 . 2]" 1
733 1 65 PRO HD2 1 67 GLU H 5.300 . 5.300 3.967 3.472 5.796 0.496 6 0 "[ . 1 . 2]" 1
734 1 65 PRO HD2 1 67 GLU QG 4.470 . 4.470 4.055 3.625 5.104 0.634 6 2 "[ .+ 1 -. 2]" 1
735 1 65 PRO HA 1 68 ILE H 4.000 . 4.000 3.898 2.780 4.124 0.124 4 0 "[ . 1 . 2]" 1
736 1 65 PRO HA 1 68 ILE HG12 3.730 . 3.730 2.397 1.721 2.625 0.079 14 0 "[ . 1 . 2]" 1
737 1 65 PRO HA 1 68 ILE MD . . 3.500 2.215 1.795 2.559 0.005 14 0 "[ . 1 . 2]" 1
738 1 65 PRO HB2 1 68 ILE H 5.230 . 5.230 5.391 5.317 5.445 0.215 1 0 "[ . 1 . 2]" 1
739 1 65 PRO HB2 1 68 ILE MD 4.270 . 4.270 4.259 3.810 4.437 0.167 15 0 "[ . 1 . 2]" 1
740 1 66 ALA H 1 66 ALA MB . . 3.100 2.240 2.180 2.274 . 0 0 "[ . 1 . 2]" 1
741 1 66 ALA H 1 67 GLU H . . 3.550 2.336 2.115 2.466 . 0 0 "[ . 1 . 2]" 1
742 1 66 ALA H 1 67 GLU QG 3.420 . 3.420 3.253 3.021 3.581 0.161 10 0 "[ . 1 . 2]" 1
743 1 66 ALA MB 1 67 GLU H . . 3.600 2.606 2.441 2.709 . 0 0 "[ . 1 . 2]" 1
744 1 66 ALA MB 1 67 GLU QB 4.300 . 4.300 3.626 3.420 3.866 . 0 0 "[ . 1 . 2]" 1
745 1 66 ALA H 1 68 ILE H 4.780 . 4.780 3.762 3.606 3.900 . 0 0 "[ . 1 . 2]" 1
746 1 66 ALA HA 1 69 ALA H 3.980 . 3.980 3.737 3.558 3.936 . 0 0 "[ . 1 . 2]" 1
747 1 66 ALA HA 1 69 ALA MB 3.710 . 3.710 2.739 2.551 3.132 . 0 0 "[ . 1 . 2]" 1
748 1 66 ALA H 1 71 LEU QD 4.870 . 4.870 4.634 3.882 4.836 . 0 0 "[ . 1 . 2]" 1
749 1 66 ALA HA 1 71 LEU QB 3.690 . 3.690 3.197 3.015 3.789 0.099 14 0 "[ . 1 . 2]" 1
750 1 66 ALA MB 1 71 LEU H 4.070 . 4.070 4.038 3.851 4.181 0.111 3 0 "[ . 1 . 2]" 1
751 1 66 ALA MB 1 71 LEU QB 3.050 . 3.050 2.027 1.777 2.993 0.023 17 0 "[ . 1 . 2]" 1
752 1 66 ALA MB 1 71 LEU QD . . 3.470 1.786 1.732 1.957 0.068 10 0 "[ . 1 . 2]" 1
753 1 66 ALA MB 1 72 GLN H 4.320 . 4.320 4.535 4.423 4.763 0.443 14 0 "[ . 1 . 2]" 1
754 1 67 GLU H 1 67 GLU QG . . 3.320 1.750 1.592 2.076 0.208 15 0 "[ . 1 . 2]" 1
755 1 67 GLU HA 1 67 GLU QG . . 3.780 3.212 3.164 3.272 . 0 0 "[ . 1 . 2]" 1
756 1 67 GLU H 1 68 ILE H . . 3.540 2.200 2.071 2.371 . 0 0 "[ . 1 . 2]" 1
757 1 67 GLU H 1 68 ILE HA 4.180 . 4.180 4.789 4.623 4.951 0.771 8 15 "[ * .**+****-***** *]" 1
758 1 67 GLU H 1 68 ILE HG12 4.630 . 4.630 3.912 3.360 4.682 0.052 15 0 "[ . 1 . 2]" 1
759 1 67 GLU HA 1 68 ILE H 4.040 . 4.040 3.461 3.416 3.515 . 0 0 "[ . 1 . 2]" 1
760 1 67 GLU QG 1 68 ILE H . . 3.460 2.008 1.773 2.144 0.027 8 0 "[ . 1 . 2]" 1
761 1 67 GLU QG 1 68 ILE HA 4.250 . 4.250 3.791 3.389 4.126 . 0 0 "[ . 1 . 2]" 1
762 1 67 GLU QB 1 68 ILE MG 4.280 . 4.280 3.744 3.369 3.966 . 0 0 "[ . 1 . 2]" 1
763 1 67 GLU H 1 69 ALA H 4.450 . 4.450 3.582 3.451 3.763 . 0 0 "[ . 1 . 2]" 1
764 1 67 GLU QG 1 69 ALA H 4.530 . 4.530 3.964 3.728 4.111 . 0 0 "[ . 1 . 2]" 1
765 1 67 GLU QB 1 69 ALA H 4.500 . 4.500 4.842 4.763 4.949 0.449 5 0 "[ . 1 . 2]" 1
766 1 67 GLU HA 1 70 GLY H 4.760 . 4.760 3.056 2.879 3.354 . 0 0 "[ . 1 . 2]" 1
767 1 67 GLU QG 1 70 GLY H 4.710 . 4.710 4.581 4.411 4.662 . 0 0 "[ . 1 . 2]" 1
768 1 67 GLU HA 1 71 LEU H . . 3.880 1.816 1.693 2.256 0.107 12 0 "[ . 1 . 2]" 1
769 1 67 GLU HA 1 71 LEU HG 4.800 . 4.800 4.864 3.452 5.118 0.318 2 0 "[ . 1 . 2]" 1
770 1 67 GLU QG 1 71 LEU H 4.570 . 4.570 4.596 4.538 4.870 0.300 14 0 "[ . 1 . 2]" 1
771 1 68 ILE H 1 68 ILE HB 3.150 . 3.150 3.523 3.475 3.572 0.422 15 0 "[ . 1 . 2]" 1
772 1 68 ILE H 1 68 ILE HG12 3.340 . 3.340 2.418 1.794 3.036 0.006 6 0 "[ . 1 . 2]" 1
773 1 68 ILE H 1 68 ILE HG13 3.590 . 3.590 2.308 1.787 2.840 0.013 3 0 "[ . 1 . 2]" 1
774 1 68 ILE H 1 68 ILE MD . . 3.560 3.564 3.459 3.664 0.104 18 0 "[ . 1 . 2]" 1
775 1 68 ILE H 1 68 ILE MG . . 3.590 2.485 2.391 2.731 . 0 0 "[ . 1 . 2]" 1
776 1 68 ILE HA 1 68 ILE HG12 3.960 . 3.960 3.885 3.595 4.106 0.146 2 0 "[ . 1 . 2]" 1
777 1 68 ILE HA 1 68 ILE HG13 3.880 . 3.880 3.591 3.507 3.695 . 0 0 "[ . 1 . 2]" 1
778 1 68 ILE HA 1 68 ILE MD 3.790 . 3.790 3.972 3.804 4.114 0.324 8 0 "[ . 1 . 2]" 1
779 1 68 ILE HA 1 68 ILE MG 3.550 . 3.550 2.245 2.140 2.277 . 0 0 "[ . 1 . 2]" 1
780 1 68 ILE HG12 1 68 ILE MG 3.450 . 3.450 2.236 2.089 2.394 . 0 0 "[ . 1 . 2]" 1
781 1 68 ILE H 1 69 ALA H . . 3.370 2.113 2.048 2.245 . 0 0 "[ . 1 . 2]" 1
782 1 68 ILE H 1 69 ALA HA 4.580 . 4.580 4.808 4.763 4.913 0.333 15 0 "[ . 1 . 2]" 1
783 1 68 ILE H 1 69 ALA MB 3.830 . 3.830 3.838 3.783 3.916 0.086 15 0 "[ . 1 . 2]" 1
784 1 68 ILE HA 1 69 ALA H . . 3.720 3.385 3.345 3.414 . 0 0 "[ . 1 . 2]" 1
785 1 68 ILE HB 1 69 ALA H 3.470 . 3.470 3.647 3.567 3.686 0.216 3 0 "[ . 1 . 2]" 1
786 1 68 ILE HG12 1 69 ALA H 3.990 . 3.990 3.217 2.712 3.743 . 0 0 "[ . 1 . 2]" 1
787 1 68 ILE HG13 1 69 ALA H 4.520 . 4.520 2.050 1.908 2.264 . 0 0 "[ . 1 . 2]" 1
788 1 68 ILE HG13 1 69 ALA MB 3.540 . 3.540 3.296 3.038 3.548 0.008 6 0 "[ . 1 . 2]" 1
789 1 68 ILE MD 1 69 ALA H . . 3.830 3.310 2.627 3.910 0.080 14 0 "[ . 1 . 2]" 1
790 1 68 ILE MG 1 69 ALA H . . 3.730 3.871 3.805 4.037 0.307 6 0 "[ . 1 . 2]" 1
791 1 68 ILE H 1 70 GLY H 4.470 . 4.470 3.335 3.210 3.410 . 0 0 "[ . 1 . 2]" 1
792 1 68 ILE HB 1 70 GLY H 4.630 . 4.630 4.966 4.894 5.026 0.396 14 0 "[ . 1 . 2]" 1
793 1 68 ILE MG 1 70 GLY H 4.640 . 4.640 4.804 4.761 4.857 0.217 17 0 "[ . 1 . 2]" 1
794 1 69 ALA H 1 69 ALA MB . . 2.940 2.240 2.206 2.270 . 0 0 "[ . 1 . 2]" 1
795 1 69 ALA MB 1 70 GLY H 3.520 . 3.520 2.769 2.667 2.884 . 0 0 "[ . 1 . 2]" 1
796 1 69 ALA H 1 71 LEU H 4.120 . 4.120 4.000 3.836 4.191 0.071 2 0 "[ . 1 . 2]" 1
797 1 69 ALA MB 1 71 LEU H 4.070 . 4.070 3.729 3.294 3.982 . 0 0 "[ . 1 . 2]" 1
798 1 70 GLY H 1 70 GLY HA2 . . 3.100 2.460 2.429 2.496 . 0 0 "[ . 1 . 2]" 1
799 1 70 GLY H 1 70 GLY HA3 . . 3.040 2.975 2.964 2.988 . 0 0 "[ . 1 . 2]" 1
800 1 70 GLY H 1 71 LEU H . . 3.130 2.146 1.981 2.269 . 0 0 "[ . 1 . 2]" 1
801 1 70 GLY H 1 71 LEU QB . . 3.970 3.659 3.544 3.967 . 0 0 "[ . 1 . 2]" 1
802 1 70 GLY H 1 71 LEU QD 5.300 . 5.300 4.894 3.726 4.984 . 0 0 "[ . 1 . 2]" 1
803 1 70 GLY HA2 1 71 LEU H 3.760 . 3.760 2.746 2.587 2.957 . 0 0 "[ . 1 . 2]" 1
804 1 70 GLY HA3 1 71 LEU H 4.380 . 4.380 3.547 3.516 3.583 . 0 0 "[ . 1 . 2]" 1
805 1 71 LEU H 1 71 LEU QB . . 3.170 2.414 2.259 2.580 . 0 0 "[ . 1 . 2]" 1
806 1 71 LEU H 1 71 LEU QD 3.990 . 3.990 3.667 2.218 3.858 . 0 0 "[ . 1 . 2]" 1
807 1 71 LEU HA 1 71 LEU QD . . 3.620 2.136 1.896 3.212 . 0 0 "[ . 1 . 2]" 1
808 1 71 LEU H 1 72 GLN H . . 4.060 4.323 4.230 4.382 0.322 19 0 "[ . 1 . 2]" 1
809 1 71 LEU H 1 72 GLN HA 5.080 . 5.080 4.923 4.769 5.137 0.057 15 0 "[ . 1 . 2]" 1
810 1 71 LEU H 1 72 GLN QB 4.600 . 4.600 4.775 3.955 5.907 1.307 6 4 "[ .+ * - *2]" 1
811 1 71 LEU H 1 72 GLN QG 4.640 . 4.640 4.727 3.898 5.937 1.297 8 1 "[ . + 1 . 2]" 1
812 1 71 LEU HA 1 72 GLN H . . 3.220 2.431 2.222 2.687 . 0 0 "[ . 1 . 2]" 1
813 1 71 LEU HA 1 72 GLN QE 4.790 . 4.790 3.672 2.611 4.807 0.017 10 0 "[ . 1 . 2]" 1
814 1 71 LEU QB 1 72 GLN H 3.420 . 3.420 3.148 2.359 3.418 . 0 0 "[ . 1 . 2]" 1
815 1 71 LEU QD 1 72 GLN H . . 3.380 2.075 1.565 2.786 0.235 11 0 "[ . 1 . 2]" 1
816 1 72 GLN H 1 72 GLN QB 3.420 . 3.420 3.209 2.624 3.369 . 0 0 "[ . 1 . 2]" 1
817 1 72 GLN H 1 72 GLN QE 4.170 . 4.170 3.007 2.208 4.321 0.151 15 0 "[ . 1 . 2]" 1
818 1 72 GLN H 1 72 GLN QG . . 3.720 3.242 2.407 3.945 0.225 11 0 "[ . 1 . 2]" 1
819 1 72 GLN HA 1 72 GLN QG 3.920 . 3.920 3.245 2.225 3.632 . 0 0 "[ . 1 . 2]" 1
820 1 72 GLN H 1 73 ILE MD 4.040 . 4.040 4.321 4.190 4.394 0.354 1 0 "[ . 1 . 2]" 1
821 1 72 GLN HA 1 73 ILE H 3.060 . 3.060 2.596 2.409 2.732 . 0 0 "[ . 1 . 2]" 1
822 1 72 GLN QB 1 73 ILE H 3.550 . 3.550 2.100 1.834 2.342 . 0 0 "[ . 1 . 2]" 1
823 1 72 GLN QE 1 73 ILE H 4.970 . 4.970 4.111 3.372 4.569 . 0 0 "[ . 1 . 2]" 1
824 1 72 GLN QG 1 73 ILE H 3.760 . 3.760 3.676 2.664 4.076 0.316 3 0 "[ . 1 . 2]" 1
825 1 72 GLN H 1 74 GLY H 4.780 . 4.780 4.976 4.905 5.082 0.302 4 0 "[ . 1 . 2]" 1
826 1 72 GLN QE 1 111 ARG HD2 4.290 . 4.290 3.408 1.918 4.088 . 0 0 "[ . 1 . 2]" 1
827 1 72 GLN QE 1 111 ARG HD3 4.240 . 4.240 2.934 1.905 4.047 . 0 0 "[ . 1 . 2]" 1
828 1 72 GLN QE 1 111 ARG QG 4.700 . 4.700 3.799 2.162 4.418 . 0 0 "[ . 1 . 2]" 1
829 1 73 ILE H 1 73 ILE MD 3.710 . 3.710 2.417 2.036 2.628 . 0 0 "[ . 1 . 2]" 1
830 1 73 ILE H 1 73 ILE QG 3.090 . 3.090 1.921 1.754 2.125 0.046 12 0 "[ . 1 . 2]" 1
831 1 73 ILE H 1 73 ILE MG . . 3.240 3.676 3.583 3.727 0.487 11 0 "[ . 1 . 2]" 1
832 1 73 ILE HA 1 73 ILE MD 4.160 . 4.160 2.293 1.951 2.575 . 0 0 "[ . 1 . 2]" 1
833 1 73 ILE HA 1 73 ILE MG . . 3.700 2.194 2.129 2.276 . 0 0 "[ . 1 . 2]" 1
834 1 73 ILE MD 1 73 ILE MG . . 2.600 2.098 1.993 2.217 . 0 0 "[ . 1 . 2]" 1
835 1 73 ILE H 1 74 GLY H . . 4.320 4.307 4.260 4.339 0.019 2 0 "[ . 1 . 2]" 1
836 1 73 ILE HA 1 74 GLY H . . 3.210 2.140 2.005 2.237 . 0 0 "[ . 1 . 2]" 1
837 1 73 ILE HB 1 74 GLY H 4.170 . 4.170 4.189 4.064 4.253 0.083 9 0 "[ . 1 . 2]" 1
838 1 73 ILE MD 1 74 GLY H 4.730 . 4.730 4.086 3.613 4.417 . 0 0 "[ . 1 . 2]" 1
839 1 73 ILE MG 1 74 GLY H . . 3.600 3.142 2.964 3.268 . 0 0 "[ . 1 . 2]" 1
840 1 74 GLY H 1 75 ASP H . . 3.420 2.361 1.953 2.680 . 0 0 "[ . 1 . 2]" 1
841 1 74 GLY H 1 75 ASP QB 4.490 . 4.490 3.432 3.007 4.344 . 0 0 "[ . 1 . 2]" 1
842 1 74 GLY HA2 1 75 ASP H 4.100 . 4.100 2.545 2.395 2.796 . 0 0 "[ . 1 . 2]" 1
843 1 74 GLY HA3 1 75 ASP H 3.900 . 3.900 3.550 3.529 3.593 . 0 0 "[ . 1 . 2]" 1
844 1 75 ASP H 1 75 ASP QB 3.240 . 3.240 2.625 2.341 3.139 . 0 0 "[ . 1 . 2]" 1
845 1 75 ASP H 1 76 LYS H 4.470 . 4.470 4.304 4.141 4.421 . 0 0 "[ . 1 . 2]" 1
846 1 75 ASP HA 1 76 LYS H . . 3.600 2.240 2.135 2.332 . 0 0 "[ . 1 . 2]" 1
847 1 75 ASP QB 1 76 LYS H 3.730 . 3.730 3.445 2.596 3.738 0.008 8 0 "[ . 1 . 2]" 1
848 1 75 ASP QB 1 109 VAL QG . . 4.020 2.203 1.739 2.852 0.061 5 0 "[ . 1 . 2]" 1
849 1 75 ASP HA 1 110 THR H 4.460 . 4.460 4.338 3.979 4.596 0.136 19 0 "[ . 1 . 2]" 1
850 1 76 LYS H 1 76 LYS QD 4.200 . 4.200 3.044 1.775 3.938 0.025 1 0 "[ . 1 . 2]" 1
851 1 76 LYS H 1 76 LYS QG 3.320 . 3.320 2.503 2.083 3.401 0.081 14 0 "[ . 1 . 2]" 1
852 1 76 LYS H 1 77 ILE H . . 4.120 4.225 4.164 4.277 0.157 20 0 "[ . 1 . 2]" 1
853 1 76 LYS HA 1 77 ILE H 3.470 . 3.470 2.110 2.010 2.175 . 0 0 "[ . 1 . 2]" 1
854 1 76 LYS QG 1 77 ILE H 4.580 . 4.580 4.373 3.807 4.498 . 0 0 "[ . 1 . 2]" 1
855 1 76 LYS H 1 109 VAL HA 4.600 . 4.600 4.612 4.307 4.738 0.138 15 0 "[ . 1 . 2]" 1
856 1 76 LYS H 1 109 VAL QG . . 4.370 2.891 2.452 4.055 . 0 0 "[ . 1 . 2]" 1
857 1 76 LYS H 1 110 THR H . . 3.860 2.701 2.383 2.976 . 0 0 "[ . 1 . 2]" 1
858 1 76 LYS H 1 110 THR HA 5.140 . 5.140 4.717 4.382 5.133 . 0 0 "[ . 1 . 2]" 1
859 1 76 LYS H 1 110 THR MG 4.750 . 4.750 4.858 4.613 5.032 0.282 14 0 "[ . 1 . 2]" 1
860 1 76 LYS QD 1 110 THR H 4.170 . 4.170 4.178 3.515 4.447 0.277 14 0 "[ . 1 . 2]" 1
861 1 76 LYS QD 1 110 THR HB 4.540 . 4.540 2.880 1.744 3.249 0.056 17 0 "[ . 1 . 2]" 1
862 1 76 LYS QD 1 110 THR MG 3.730 . 3.730 3.750 2.742 3.951 0.221 3 0 "[ . 1 . 2]" 1
863 1 77 ILE H 1 77 ILE HB 3.430 . 3.430 2.561 2.460 2.637 . 0 0 "[ . 1 . 2]" 1
864 1 77 ILE H 1 77 ILE MD . . 3.330 3.416 3.156 3.502 0.172 17 0 "[ . 1 . 2]" 1
865 1 77 ILE HA 1 77 ILE MD 4.070 . 4.070 3.794 2.121 3.912 . 0 0 "[ . 1 . 2]" 1
866 1 77 ILE HA 1 77 ILE MG 3.630 . 3.630 2.351 2.283 2.406 . 0 0 "[ . 1 . 2]" 1
867 1 77 ILE HB 1 77 ILE MD 3.480 . 3.480 2.403 2.344 3.230 . 0 0 "[ . 1 . 2]" 1
868 1 77 ILE HA 1 78 MET H . . 3.600 2.156 2.125 2.206 . 0 0 "[ . 1 . 2]" 1
869 1 77 ILE HA 1 78 MET QG 4.250 . 4.250 3.625 3.251 3.929 . 0 0 "[ . 1 . 2]" 1
870 1 77 ILE MG 1 78 MET H . . 3.650 3.031 2.578 3.273 . 0 0 "[ . 1 . 2]" 1
871 1 77 ILE HA 1 79 GLN H 3.930 . 3.930 3.626 3.323 3.813 . 0 0 "[ . 1 . 2]" 1
872 1 77 ILE MG 1 79 GLN H . . 3.290 2.748 2.322 3.136 . 0 0 "[ . 1 . 2]" 1
873 1 77 ILE MD 1 85 MET ME 4.340 . 4.340 4.042 3.088 4.427 0.087 19 0 "[ . 1 . 2]" 1
874 1 77 ILE MG 1 85 MET HG2 4.280 . 4.280 3.445 2.225 4.296 0.016 1 0 "[ . 1 . 2]" 1
875 1 77 ILE MG 1 85 MET HG3 3.880 . 3.880 3.251 2.129 3.727 . 0 0 "[ . 1 . 2]" 1
876 1 77 ILE MG 1 85 MET ME 3.750 . 3.750 3.100 2.112 3.597 . 0 0 "[ . 1 . 2]" 1
877 1 77 ILE QG 1 109 VAL QG 3.660 . 3.660 2.406 1.799 3.239 0.001 10 0 "[ . 1 . 2]" 1
878 1 77 ILE H 1 110 THR H 4.630 . 4.630 4.738 4.612 4.834 0.204 1 0 "[ . 1 . 2]" 1
879 1 78 MET H 1 78 MET ME 4.530 . 4.530 3.260 3.021 3.574 . 0 0 "[ . 1 . 2]" 1
880 1 78 MET H 1 78 MET QG . . 3.710 2.309 2.096 2.537 . 0 0 "[ . 1 . 2]" 1
881 1 78 MET HA 1 78 MET ME 3.700 . 3.700 1.740 1.686 1.779 0.114 9 0 "[ . 1 . 2]" 1
882 1 78 MET QB 1 78 MET ME 3.060 . 3.060 3.040 2.831 3.154 0.094 14 0 "[ . 1 . 2]" 1
883 1 78 MET ME 1 78 MET QG 3.190 . 3.190 2.334 2.290 2.395 . 0 0 "[ . 1 . 2]" 1
884 1 78 MET H 1 79 GLN H . . 3.250 2.184 1.798 2.399 0.002 16 0 "[ . 1 . 2]" 1
885 1 78 MET H 1 79 GLN HA 5.130 . 5.130 4.832 4.532 5.002 . 0 0 "[ . 1 . 2]" 1
886 1 78 MET H 1 79 GLN QG 4.050 . 4.050 4.101 3.684 5.796 1.746 7 3 "[ . + - * . 2]" 1
887 1 78 MET HA 1 79 GLN H 3.970 . 3.970 3.453 3.350 3.540 . 0 0 "[ . 1 . 2]" 1
888 1 78 MET QB 1 79 GLN H 3.550 . 3.550 2.832 2.480 3.094 . 0 0 "[ . 1 . 2]" 1
889 1 78 MET QG 1 79 GLN H 3.810 . 3.810 3.954 3.886 4.062 0.252 10 0 "[ . 1 . 2]" 1
890 1 78 MET HA 1 86 THR MG 3.940 . 3.940 2.645 2.108 3.395 . 0 0 "[ . 1 . 2]" 1
891 1 78 MET ME 1 86 THR MG . . 2.950 2.612 1.965 3.079 0.129 12 0 "[ . 1 . 2]" 1
892 1 78 MET QG 1 86 THR MG 4.670 . 4.670 4.182 3.613 4.761 0.091 2 0 "[ . 1 . 2]" 1
893 1 78 MET H 1 108 LEU H 4.100 . 4.100 3.971 3.536 4.174 0.074 5 0 "[ . 1 . 2]" 1
894 1 78 MET H 1 108 LEU HB3 4.970 . 4.970 4.035 2.930 4.891 . 0 0 "[ . 1 . 2]" 1
895 1 78 MET H 1 108 LEU HB2 . . 4.520 4.204 3.740 4.557 0.037 6 0 "[ . 1 . 2]" 1
896 1 78 MET H 1 109 VAL HA . . 3.910 2.498 2.287 2.822 . 0 0 "[ . 1 . 2]" 1
897 1 78 MET H 1 109 VAL HB 4.370 . 4.370 4.323 3.799 4.627 0.257 6 0 "[ . 1 . 2]" 1
898 1 78 MET H 1 109 VAL QG 3.850 . 3.850 3.610 3.044 3.862 0.012 18 0 "[ . 1 . 2]" 1
899 1 78 MET QG 1 109 VAL H 5.410 . 5.410 4.653 4.132 5.031 . 0 0 "[ . 1 . 2]" 1
900 1 78 MET QG 1 109 VAL HA 4.370 . 4.370 2.879 2.619 3.214 . 0 0 "[ . 1 . 2]" 1
901 1 78 MET ME 1 110 THR MG 4.000 . 4.000 4.089 3.901 4.314 0.314 7 0 "[ . 1 . 2]" 1
902 1 78 MET QG 1 110 THR H 3.950 . 3.950 3.672 3.112 4.028 0.078 3 0 "[ . 1 . 2]" 1
903 1 78 MET QG 1 110 THR MG . . 3.590 2.433 1.954 3.387 . 0 0 "[ . 1 . 2]" 1
904 1 79 GLN H 1 79 GLN QB 3.640 . 3.640 3.112 2.725 3.397 . 0 0 "[ . 1 . 2]" 1
905 1 79 GLN H 1 79 GLN QG 3.680 . 3.680 2.769 2.281 3.894 0.214 7 0 "[ . 1 . 2]" 1
906 1 79 GLN HA 1 79 GLN QE 5.000 . 5.000 4.557 4.009 4.940 . 0 0 "[ . 1 . 2]" 1
907 1 79 GLN H 1 80 VAL H . . 4.270 4.265 4.125 4.358 0.088 10 0 "[ . 1 . 2]" 1
908 1 79 GLN H 1 80 VAL QG 3.960 . 3.960 4.644 4.203 5.069 1.109 17 12 "[ **** ** *-** + *2]" 1
909 1 79 GLN HA 1 80 VAL H . . 3.220 2.161 2.064 2.277 . 0 0 "[ . 1 . 2]" 1
910 1 79 GLN HA 1 80 VAL HA 4.620 . 4.620 4.321 4.230 4.402 . 0 0 "[ . 1 . 2]" 1
911 1 79 GLN HA 1 80 VAL HB 3.800 . 3.800 4.448 4.143 4.906 1.106 8 9 "[-* .* + 1* .* ***]" 1
912 1 79 GLN QB 1 80 VAL H 3.770 . 3.770 2.603 2.299 3.325 . 0 0 "[ . 1 . 2]" 1
913 1 79 GLN QE 1 82 GLY H 4.610 . 4.610 4.003 3.638 4.398 . 0 0 "[ . 1 . 2]" 1
914 1 79 GLN QE 1 82 GLY HA2 . . 5.020 2.693 2.249 3.546 . 0 0 "[ . 1 . 2]" 1
915 1 79 GLN QE 1 82 GLY HA3 4.780 . 4.780 4.044 3.699 4.557 . 0 0 "[ . 1 . 2]" 1
916 1 79 GLN QG 1 82 GLY H 4.300 . 4.300 4.166 2.216 5.581 1.281 4 4 "[ +. * 1 . -*2]" 1
917 1 79 GLN HA 1 83 TRP H 4.290 . 4.290 4.417 4.052 4.602 0.312 7 0 "[ . 1 . 2]" 1
918 1 79 GLN QE 1 83 TRP H 4.430 . 4.430 4.119 3.574 4.376 . 0 0 "[ . 1 . 2]" 1
919 1 79 GLN H 1 84 ASP HA 4.620 . 4.620 4.400 4.117 4.697 0.077 19 0 "[ . 1 . 2]" 1
920 1 79 GLN HA 1 84 ASP H 5.020 . 5.020 4.244 3.765 4.599 . 0 0 "[ . 1 . 2]" 1
921 1 79 GLN QB 1 84 ASP H 4.830 . 4.830 2.630 2.109 3.510 . 0 0 "[ . 1 . 2]" 1
922 1 79 GLN QE 1 84 ASP HA 4.520 . 4.520 3.864 2.921 4.195 . 0 0 "[ . 1 . 2]" 1
923 1 79 GLN QE 1 84 ASP H 4.500 . 4.500 3.182 2.371 4.059 . 0 0 "[ . 1 . 2]" 1
924 1 79 GLN QG 1 84 ASP H . . 4.130 3.741 2.399 4.165 0.035 10 0 "[ . 1 . 2]" 1
925 1 79 GLN H 1 85 MET HG2 4.880 . 4.880 4.171 3.560 5.006 0.126 15 0 "[ . 1 . 2]" 1
926 1 79 GLN HA 1 85 MET H . . 3.920 1.974 1.771 2.286 0.029 16 0 "[ . 1 . 2]" 1
927 1 79 GLN HA 1 85 MET HG2 4.160 . 4.160 2.340 1.727 3.302 0.073 19 0 "[ . 1 . 2]" 1
928 1 79 GLN QG 1 85 MET H 3.830 . 3.830 3.760 2.656 4.578 0.748 10 3 "[ . + - .* 2]" 1
929 1 79 GLN H 1 108 LEU H . . 3.600 2.800 2.565 3.048 . 0 0 "[ . 1 . 2]" 1
930 1 79 GLN H 1 108 LEU HA 4.680 . 4.680 4.732 4.561 4.832 0.152 20 0 "[ . 1 . 2]" 1
931 1 79 GLN H 1 108 LEU HB2 3.530 . 3.530 3.032 2.605 3.561 0.031 13 0 "[ . 1 . 2]" 1
932 1 79 GLN HA 1 108 LEU HB2 4.590 . 4.590 4.485 4.021 4.767 0.177 6 0 "[ . 1 . 2]" 1
933 1 79 GLN QB 1 108 LEU H 3.650 . 3.650 3.509 2.449 3.836 0.186 1 0 "[ . 1 . 2]" 1
934 1 79 GLN QB 1 108 LEU HB2 4.240 . 4.240 2.620 1.293 3.522 0.507 8 1 "[ . + 1 . 2]" 1
935 1 79 GLN QE 1 108 LEU HB3 4.400 . 4.400 4.098 3.457 4.304 . 0 0 "[ . 1 . 2]" 1
936 1 79 GLN QE 1 108 LEU HB2 4.460 . 4.460 3.256 2.669 3.527 . 0 0 "[ . 1 . 2]" 1
937 1 79 GLN QE 1 108 LEU QD . . 3.870 2.085 1.690 2.617 0.110 14 0 "[ . 1 . 2]" 1
938 1 79 GLN QG 1 108 LEU HB2 4.800 . 4.800 1.817 1.282 3.203 0.518 5 1 "[ + 1 . 2]" 1
939 1 79 GLN QG 1 108 LEU QD . . 3.550 2.503 1.916 3.545 . 0 0 "[ . 1 . 2]" 1
940 1 79 GLN QG 1 108 LEU HB3 4.790 . 4.790 2.818 2.164 4.266 . 0 0 "[ . 1 . 2]" 1
941 1 79 GLN H 1 109 VAL HA 4.370 . 4.370 4.292 4.060 4.478 0.108 16 0 "[ . 1 . 2]" 1
942 1 80 VAL H 1 80 VAL QG 2.900 . 2.900 1.987 1.786 2.351 0.014 2 0 "[ . 1 . 2]" 1
943 1 80 VAL H 1 81 ASN H 4.600 . 4.600 4.320 4.220 4.460 . 0 0 "[ . 1 . 2]" 1
944 1 80 VAL HA 1 81 ASN H . . 2.840 2.176 2.129 2.258 . 0 0 "[ . 1 . 2]" 1
945 1 80 VAL HB 1 81 ASN H 4.230 . 4.230 4.047 3.764 4.227 . 0 0 "[ . 1 . 2]" 1
946 1 80 VAL QG 1 81 ASN HB2 . . 3.910 2.493 2.186 2.962 . 0 0 "[ . 1 . 2]" 1
947 1 80 VAL QG 1 81 ASN H . . 3.390 2.658 2.412 2.803 . 0 0 "[ . 1 . 2]" 1
948 1 80 VAL QG 1 81 ASN HB3 . . 3.930 3.828 3.598 3.963 0.033 5 0 "[ . 1 . 2]" 1
949 1 80 VAL QG 1 81 ASN HD21 4.000 . 4.000 2.408 1.767 4.011 0.033 14 0 "[ . 1 . 2]" 1
950 1 80 VAL QG 1 81 ASN HD22 4.020 . 4.020 3.184 2.718 3.927 . 0 0 "[ . 1 . 2]" 1
951 1 80 VAL QG 1 82 GLY H 4.640 . 4.640 3.747 3.573 3.952 . 0 0 "[ . 1 . 2]" 1
952 1 80 VAL H 1 83 TRP H . . 3.240 2.773 2.521 3.199 . 0 0 "[ . 1 . 2]" 1
953 1 80 VAL H 1 83 TRP QB 4.350 . 4.350 3.541 2.582 4.575 0.225 17 0 "[ . 1 . 2]" 1
954 1 80 VAL QG 1 83 TRP HE1 4.160 . 4.160 3.429 1.808 4.356 0.196 20 0 "[ . 1 . 2]" 1
955 1 80 VAL H 1 84 ASP HA 4.030 . 4.030 4.049 3.579 4.204 0.174 15 0 "[ . 1 . 2]" 1
956 1 80 VAL H 1 85 MET H 3.560 . 3.560 3.712 3.478 3.879 0.319 1 0 "[ . 1 . 2]" 1
957 1 80 VAL H 1 85 MET HG2 4.160 . 4.160 2.960 2.659 3.283 . 0 0 "[ . 1 . 2]" 1
958 1 80 VAL H 1 85 MET HG3 4.330 . 4.330 3.839 2.841 4.458 0.128 17 0 "[ . 1 . 2]" 1
959 1 80 VAL H 1 85 MET ME 4.380 . 4.380 4.337 3.820 4.581 0.201 14 0 "[ . 1 . 2]" 1
960 1 80 VAL QG 1 85 MET HG2 4.140 . 4.140 2.229 1.733 3.101 0.067 2 0 "[ . 1 . 2]" 1
961 1 80 VAL QG 1 85 MET ME 2.980 . 2.980 2.182 1.745 2.987 0.055 7 0 "[ . 1 . 2]" 1
962 1 80 VAL QG 1 93 ALA HA 3.880 . 3.880 3.603 2.895 3.869 . 0 0 "[ . 1 . 2]" 1
963 1 80 VAL QG 1 97 LEU HA 3.480 . 3.480 2.650 1.852 3.561 0.081 8 0 "[ . 1 . 2]" 1
964 1 80 VAL QG 1 106 ARG H . . 3.440 3.482 3.310 3.647 0.207 10 0 "[ . 1 . 2]" 1
965 1 80 VAL QG 1 107 LEU HA 4.310 . 4.310 3.892 3.567 4.158 . 0 0 "[ . 1 . 2]" 1
966 1 80 VAL H 1 108 LEU H 4.760 . 4.760 4.671 4.463 4.931 0.171 19 0 "[ . 1 . 2]" 1
967 1 80 VAL HA 1 108 LEU H 4.370 . 4.370 3.530 3.237 3.973 . 0 0 "[ . 1 . 2]" 1
968 1 81 ASN H 1 81 ASN HB3 4.040 . 4.040 4.075 4.045 4.114 0.074 10 0 "[ . 1 . 2]" 1
969 1 81 ASN H 1 81 ASN HB2 4.180 . 4.180 3.386 3.157 3.630 . 0 0 "[ . 1 . 2]" 1
970 1 81 ASN H 1 81 ASN HD21 5.060 . 5.060 3.631 2.452 4.502 . 0 0 "[ . 1 . 2]" 1
971 1 81 ASN HB3 1 81 ASN HD22 4.300 . 4.300 3.916 3.528 4.071 . 0 0 "[ . 1 . 2]" 1
972 1 81 ASN H 1 82 GLY H . . 3.630 2.713 2.503 2.849 . 0 0 "[ . 1 . 2]" 1
973 1 81 ASN HA 1 82 GLY H 3.560 . 3.560 3.119 2.873 3.267 . 0 0 "[ . 1 . 2]" 1
974 1 81 ASN HA 1 82 GLY HA2 4.690 . 4.690 4.770 4.683 4.865 0.175 7 0 "[ . 1 . 2]" 1
975 1 81 ASN HA 1 82 GLY HA3 4.800 . 4.800 4.449 4.347 4.526 . 0 0 "[ . 1 . 2]" 1
976 1 81 ASN HB3 1 82 GLY H 4.310 . 4.310 4.211 3.970 4.342 0.032 1 0 "[ . 1 . 2]" 1
977 1 81 ASN HB2 1 82 GLY H 4.610 . 4.610 3.795 3.528 4.104 . 0 0 "[ . 1 . 2]" 1
978 1 81 ASN HD21 1 82 GLY H 5.300 . 5.300 5.292 4.524 5.579 0.279 16 0 "[ . 1 . 2]" 1
979 1 81 ASN HB2 1 83 TRP H 4.340 . 4.340 3.833 3.491 4.120 . 0 0 "[ . 1 . 2]" 1
980 1 81 ASN HD21 1 102 GLU QG 4.590 . 4.590 4.441 2.962 4.917 0.327 6 0 "[ . 1 . 2]" 1
981 1 81 ASN HD22 1 102 GLU QG 4.660 . 4.660 3.254 2.588 4.007 . 0 0 "[ . 1 . 2]" 1
982 1 81 ASN HD21 1 105 VAL HA 4.250 . 4.250 3.506 2.436 4.279 0.029 11 0 "[ . 1 . 2]" 1
983 1 81 ASN HD22 1 105 VAL H 5.400 . 5.400 5.205 4.492 5.525 0.125 6 0 "[ . 1 . 2]" 1
984 1 81 ASN HD22 1 105 VAL HA 4.150 . 4.150 2.549 1.742 3.781 0.058 8 0 "[ . 1 . 2]" 1
985 1 81 ASN H 1 106 ARG H . . 4.060 3.028 2.127 3.690 . 0 0 "[ . 1 . 2]" 1
986 1 81 ASN H 1 106 ARG QB 3.840 . 3.840 2.332 1.902 3.284 . 0 0 "[ . 1 . 2]" 1
987 1 81 ASN H 1 106 ARG QG 4.800 . 4.800 3.820 2.397 4.567 . 0 0 "[ . 1 . 2]" 1
988 1 81 ASN HA 1 106 ARG H 4.010 . 4.010 3.060 1.884 4.061 0.051 11 0 "[ . 1 . 2]" 1
989 1 81 ASN HD21 1 106 ARG H . . 4.320 3.243 2.107 4.394 0.074 1 0 "[ . 1 . 2]" 1
990 1 81 ASN HD22 1 106 ARG H . . 4.020 2.942 1.913 3.841 . 0 0 "[ . 1 . 2]" 1
991 1 81 ASN H 1 107 LEU HA 4.260 . 4.260 3.225 2.374 3.879 . 0 0 "[ . 1 . 2]" 1
992 1 82 GLY H 1 83 TRP H . . 3.240 2.241 1.962 2.549 . 0 0 "[ . 1 . 2]" 1
993 1 82 GLY H 1 83 TRP HE1 4.730 . 4.730 5.060 4.950 5.960 1.230 14 1 "[ . 1 +. 2]" 1
994 1 82 GLY H 1 106 ARG QB 4.160 . 4.160 3.522 2.592 5.056 0.896 9 1 "[ . +1 . 2]" 1
995 1 82 GLY H 1 106 ARG QG 5.040 . 5.040 4.612 3.344 5.126 0.086 1 0 "[ . 1 . 2]" 1
996 1 82 GLY H 1 107 LEU HA 4.840 . 4.840 4.405 3.301 5.001 0.161 7 0 "[ . 1 . 2]" 1
997 1 82 GLY H 1 108 LEU HB2 5.420 . 5.420 5.034 4.150 5.482 0.062 17 0 "[ . 1 . 2]" 1
998 1 83 TRP H 1 83 TRP QB . . 3.230 2.773 2.510 3.143 . 0 0 "[ . 1 . 2]" 1
999 1 83 TRP H 1 83 TRP HD1 3.710 . 3.710 2.303 1.724 3.453 0.076 2 0 "[ . 1 . 2]" 1
1000 1 83 TRP H 1 83 TRP HE1 4.750 . 4.750 4.205 3.949 4.527 . 0 0 "[ . 1 . 2]" 1
1001 1 83 TRP HA 1 83 TRP HE1 4.550 . 4.550 5.660 5.020 6.286 1.736 14 19 "[******* *****+****-*]" 1
1002 1 83 TRP QB 1 83 TRP HE1 4.510 . 4.510 4.366 4.296 4.399 . 0 0 "[ . 1 . 2]" 1
1003 1 83 TRP H 1 84 ASP H 3.970 . 3.970 3.907 3.535 4.213 0.243 4 0 "[ . 1 . 2]" 1
1004 1 83 TRP HA 1 84 ASP H 3.070 . 3.070 2.189 1.992 2.392 . 0 0 "[ . 1 . 2]" 1
1005 1 83 TRP QB 1 84 ASP H 4.140 . 4.140 3.522 2.985 3.777 . 0 0 "[ . 1 . 2]" 1
1006 1 83 TRP HD1 1 84 ASP H 4.730 . 4.730 5.125 4.778 6.257 1.527 13 3 "[ . * + . - 2]" 1
1007 1 83 TRP HE1 1 96 ARG QD 4.830 . 4.830 3.841 2.610 4.537 . 0 0 "[ . 1 . 2]" 1
1008 1 84 ASP H 1 84 ASP HB2 . . 3.150 2.476 2.112 3.330 0.180 15 0 "[ . 1 . 2]" 1
1009 1 84 ASP H 1 84 ASP HB3 . . 3.140 2.829 2.597 3.271 0.131 15 0 "[ . 1 . 2]" 1
1010 1 84 ASP H 1 85 MET H 4.500 . 4.500 4.310 4.184 4.454 . 0 0 "[ . 1 . 2]" 1
1011 1 84 ASP HA 1 85 MET H 3.140 . 3.140 2.116 2.072 2.182 . 0 0 "[ . 1 . 2]" 1
1012 1 85 MET H 1 85 MET HB3 3.810 . 3.810 3.329 2.971 3.636 . 0 0 "[ . 1 . 2]" 1
1013 1 85 MET H 1 85 MET HG2 3.660 . 3.660 2.656 1.912 3.088 . 0 0 "[ . 1 . 2]" 1
1014 1 85 MET H 1 85 MET HG3 4.230 . 4.230 2.202 1.794 3.525 0.006 10 0 "[ . 1 . 2]" 1
1015 1 85 MET HA 1 85 MET ME 4.020 . 4.020 4.013 3.698 4.209 0.189 4 0 "[ . 1 . 2]" 1
1016 1 85 MET HB3 1 85 MET ME 3.290 . 3.290 2.378 1.917 3.318 0.028 13 0 "[ . 1 . 2]" 1
1017 1 85 MET ME 1 85 MET HG3 3.410 . 3.410 3.245 2.204 3.416 0.006 7 0 "[ . 1 . 2]" 1
1018 1 85 MET H 1 86 THR H 3.350 . 3.350 2.881 2.330 3.435 0.085 7 0 "[ . 1 . 2]" 1
1019 1 85 MET H 1 86 THR MG . . 4.080 3.383 3.076 3.768 . 0 0 "[ . 1 . 2]" 1
1020 1 85 MET HA 1 86 THR H 3.480 . 3.480 3.186 2.517 3.483 0.003 5 0 "[ . 1 . 2]" 1
1021 1 85 MET HB3 1 86 THR H 4.310 . 4.310 4.079 2.236 4.677 0.367 18 0 "[ . 1 . 2]" 1
1022 1 85 MET HG3 1 86 THR H 4.560 . 4.560 3.796 1.834 5.087 0.527 19 1 "[ . 1 . +2]" 1
1023 1 85 MET ME 1 93 ALA H 4.470 . 4.470 4.543 4.296 4.727 0.257 17 0 "[ . 1 . 2]" 1
1024 1 85 MET ME 1 93 ALA HA . . 3.530 3.219 2.296 3.634 0.104 16 0 "[ . 1 . 2]" 1
1025 1 85 MET ME 1 93 ALA MB . . 3.250 1.830 1.683 2.228 0.117 12 0 "[ . 1 . 2]" 1
1026 1 85 MET ME 1 97 LEU H 4.420 . 4.420 4.766 4.482 6.161 1.741 8 2 "[ . + - . 2]" 1
1027 1 86 THR H 1 86 THR MG . . 3.280 2.459 2.084 2.804 . 0 0 "[ . 1 . 2]" 1
1028 1 86 THR HA 1 86 THR MG . . 3.170 2.330 2.245 2.445 . 0 0 "[ . 1 . 2]" 1
1029 1 86 THR H 1 87 MET H . . 3.300 2.674 2.148 3.495 0.195 5 0 "[ . 1 . 2]" 1
1030 1 86 THR HA 1 87 MET H 3.420 . 3.420 3.464 3.337 3.543 0.123 12 0 "[ . 1 . 2]" 1
1031 1 86 THR HB 1 87 MET H 4.370 . 4.370 3.838 2.963 4.280 . 0 0 "[ . 1 . 2]" 1
1032 1 86 THR MG 1 87 MET H 3.990 . 3.990 3.985 3.671 4.110 0.120 15 0 "[ . 1 . 2]" 1
1033 1 86 THR H 1 88 VAL H . . 3.930 3.822 2.805 4.016 0.086 4 0 "[ . 1 . 2]" 1
1034 1 86 THR HA 1 88 VAL H 4.730 . 4.730 3.920 3.408 4.598 . 0 0 "[ . 1 . 2]" 1
1035 1 87 MET H 1 87 MET HB2 3.770 . 3.770 3.124 2.418 3.810 0.040 6 0 "[ . 1 . 2]" 1
1036 1 87 MET H 1 87 MET HB3 3.610 . 3.610 3.294 2.684 3.786 0.176 15 0 "[ . 1 . 2]" 1
1037 1 87 MET H 1 87 MET HG2 4.140 . 4.140 2.713 1.864 4.076 . 0 0 "[ . 1 . 2]" 1
1038 1 87 MET H 1 87 MET HG3 4.010 . 4.010 3.165 2.062 4.082 0.072 5 0 "[ . 1 . 2]" 1
1039 1 87 MET H 1 88 VAL H . . 3.580 2.307 1.800 2.711 0.000 8 0 "[ . 1 . 2]" 1
1040 1 87 MET H 1 88 VAL QG 3.350 . 3.350 3.012 2.233 3.420 0.070 17 0 "[ . 1 . 2]" 1
1041 1 87 MET HA 1 88 VAL H 3.540 . 3.540 3.169 2.820 3.422 . 0 0 "[ . 1 . 2]" 1
1042 1 87 MET HB2 1 88 VAL H 4.160 . 4.160 3.939 2.957 4.431 0.271 10 0 "[ . 1 . 2]" 1
1043 1 87 MET HB3 1 88 VAL H 4.460 . 4.460 4.297 4.040 4.464 0.004 6 0 "[ . 1 . 2]" 1
1044 1 88 VAL H 1 88 VAL HB 3.970 . 3.970 2.742 1.957 3.765 . 0 0 "[ . 1 . 2]" 1
1045 1 88 VAL H 1 88 VAL QG . . 2.910 2.162 1.783 2.943 0.033 16 0 "[ . 1 . 2]" 1
1046 1 88 VAL H 1 89 THR H 4.520 . 4.520 4.535 4.373 4.655 0.135 5 0 "[ . 1 . 2]" 1
1047 1 88 VAL HA 1 89 THR H . . 3.340 2.576 2.263 2.859 . 0 0 "[ . 1 . 2]" 1
1048 1 88 VAL HB 1 89 THR H 4.320 . 4.320 3.161 2.007 4.165 . 0 0 "[ . 1 . 2]" 1
1049 1 88 VAL QG 1 89 THR H 3.280 . 3.280 2.059 1.732 2.428 0.068 1 0 "[ . 1 . 2]" 1
1050 1 88 VAL QG 1 89 THR HB 3.940 . 3.940 3.793 3.435 4.290 0.350 7 0 "[ . 1 . 2]" 1
1051 1 88 VAL HA 1 92 GLN QG 4.750 . 4.750 3.582 2.313 4.365 . 0 0 "[ . 1 . 2]" 1
1052 1 88 VAL QG 1 92 GLN H 4.170 . 4.170 4.067 3.843 4.346 0.176 12 0 "[ . 1 . 2]" 1
1053 1 88 VAL QG 1 92 GLN QE . . 4.360 2.893 1.347 3.762 0.453 17 0 "[ . 1 . 2]" 1
1054 1 88 VAL QG 1 93 ALA H 3.560 . 3.560 3.302 2.539 3.739 0.179 18 0 "[ . 1 . 2]" 1
1055 1 88 VAL QG 1 93 ALA HA 4.020 . 4.020 3.236 2.225 4.069 0.049 18 0 "[ . 1 . 2]" 1
1056 1 89 THR H 1 89 THR MG . . 3.310 3.218 2.021 3.662 0.352 18 0 "[ . 1 . 2]" 1
1057 1 89 THR HA 1 89 THR MG 3.510 . 3.510 2.824 2.293 3.211 . 0 0 "[ . 1 . 2]" 1
1058 1 89 THR H 1 90 HIS H 5.090 . 5.090 4.476 4.268 4.551 . 0 0 "[ . 1 . 2]" 1
1059 1 89 THR HA 1 90 HIS H . . 3.580 2.404 2.120 2.846 . 0 0 "[ . 1 . 2]" 1
1060 1 89 THR HB 1 90 HIS H 3.780 . 3.780 3.862 2.616 4.117 0.337 12 0 "[ . 1 . 2]" 1
1061 1 89 THR H 1 91 ASP H 5.020 . 5.020 5.109 4.811 5.284 0.264 12 0 "[ . 1 . 2]" 1
1062 1 89 THR HB 1 91 ASP H 4.040 . 4.040 4.144 3.083 4.591 0.551 13 1 "[ . 1 + . 2]" 1
1063 1 89 THR MG 1 91 ASP H 4.160 . 4.160 1.890 1.647 2.774 0.153 13 0 "[ . 1 . 2]" 1
1064 1 89 THR H 1 92 GLN H . . 4.060 3.760 3.373 4.231 0.171 18 0 "[ . 1 . 2]" 1
1065 1 89 THR H 1 92 GLN HA 4.410 . 4.410 5.143 4.485 6.041 1.631 12 8 "[ **** 1 + .*-* 2]" 1
1066 1 89 THR H 1 92 GLN QE . . 4.950 3.694 2.025 4.420 . 0 0 "[ . 1 . 2]" 1
1067 1 89 THR H 1 92 GLN QG 2.940 . 2.940 1.892 1.414 2.468 0.386 19 0 "[ . 1 . 2]" 1
1068 1 89 THR H 1 92 GLN QB 3.850 . 3.850 2.895 1.760 4.277 0.427 12 0 "[ . 1 . 2]" 1
1069 1 89 THR HA 1 92 GLN QG 4.900 . 4.900 3.817 3.413 4.784 . 0 0 "[ . 1 . 2]" 1
1070 1 89 THR HB 1 92 GLN H 4.650 . 4.650 3.377 2.568 4.525 . 0 0 "[ . 1 . 2]" 1
1071 1 89 THR MG 1 92 GLN H 3.880 . 3.880 2.025 1.632 4.038 0.168 10 0 "[ . 1 . 2]" 1
1072 1 89 THR MG 1 92 GLN QE 4.620 . 4.620 3.867 2.651 4.348 . 0 0 "[ . 1 . 2]" 1
1073 1 89 THR MG 1 92 GLN QG 4.230 . 4.230 2.274 1.454 3.607 0.346 5 0 "[ . 1 . 2]" 1
1074 1 89 THR H 1 93 ALA H 4.670 . 4.670 3.921 3.631 4.380 . 0 0 "[ . 1 . 2]" 1
1075 1 90 HIS H 1 90 HIS HB2 . . 3.740 2.454 2.204 2.631 . 0 0 "[ . 1 . 2]" 1
1076 1 90 HIS H 1 90 HIS HB3 . . 3.720 2.565 2.337 2.764 . 0 0 "[ . 1 . 2]" 1
1077 1 90 HIS H 1 91 ASP H . . 3.600 2.646 2.516 2.849 . 0 0 "[ . 1 . 2]" 1
1078 1 90 HIS H 1 91 ASP QB 4.810 . 4.810 4.403 4.282 4.646 . 0 0 "[ . 1 . 2]" 1
1079 1 90 HIS HA 1 91 ASP H 3.910 . 3.910 3.481 3.428 3.530 . 0 0 "[ . 1 . 2]" 1
1080 1 90 HIS HB2 1 91 ASP H 3.760 . 3.760 3.812 3.556 3.939 0.179 16 0 "[ . 1 . 2]" 1
1081 1 90 HIS HB3 1 91 ASP H 3.500 . 3.500 2.613 2.064 2.973 . 0 0 "[ . 1 . 2]" 1
1082 1 90 HIS H 1 92 GLN H . . 5.390 4.144 3.848 4.607 . 0 0 "[ . 1 . 2]" 1
1083 1 90 HIS HB3 1 92 GLN H 5.040 . 5.040 5.020 4.753 5.208 0.168 5 0 "[ . 1 . 2]" 1
1084 1 90 HIS HA 1 93 ALA H 3.220 . 3.220 3.450 3.274 4.365 1.145 18 1 "[ . 1 . + 2]" 1
1085 1 90 HIS HA 1 93 ALA MB 3.460 . 3.460 2.485 2.035 3.290 . 0 0 "[ . 1 . 2]" 1
1086 1 91 ASP H 1 91 ASP QB . . 3.080 2.265 2.174 2.466 . 0 0 "[ . 1 . 2]" 1
1087 1 91 ASP H 1 92 GLN H . . 3.590 2.587 2.385 3.143 . 0 0 "[ . 1 . 2]" 1
1088 1 91 ASP HA 1 92 GLN H 4.160 . 4.160 3.521 3.469 3.606 . 0 0 "[ . 1 . 2]" 1
1089 1 91 ASP QB 1 92 GLN H 3.890 . 3.890 2.510 2.029 2.762 . 0 0 "[ . 1 . 2]" 1
1090 1 91 ASP H 1 93 ALA H . . 4.700 3.903 3.522 4.364 . 0 0 "[ . 1 . 2]" 1
1091 1 91 ASP HA 1 93 ALA H 4.700 . 4.700 4.339 4.097 4.580 . 0 0 "[ . 1 . 2]" 1
1092 1 91 ASP H 1 94 ARG H 5.500 . 5.500 4.414 4.304 4.666 . 0 0 "[ . 1 . 2]" 1
1093 1 91 ASP H 1 94 ARG QG 4.790 . 4.790 4.609 4.167 4.802 0.012 16 0 "[ . 1 . 2]" 1
1094 1 91 ASP H 1 94 ARG QB 4.320 . 4.320 4.592 4.371 5.638 1.318 12 1 "[ . 1 + . 2]" 1
1095 1 91 ASP QB 1 94 ARG H 5.160 . 5.160 4.777 4.632 4.932 . 0 0 "[ . 1 . 2]" 1
1096 1 91 ASP HA 1 95 LYS H 4.330 . 4.330 4.211 3.770 4.546 0.216 17 0 "[ . 1 . 2]" 1
1097 1 92 GLN H 1 92 GLN QE . . 4.480 3.525 1.711 4.346 0.089 18 0 "[ . 1 . 2]" 1
1098 1 92 GLN H 1 92 GLN QG . . 2.950 2.092 1.712 3.872 0.922 10 2 "[ . + - . 2]" 1
1099 1 92 GLN H 1 92 GLN QB 3.640 . 3.640 2.636 2.050 2.857 . 0 0 "[ . 1 . 2]" 1
1100 1 92 GLN HA 1 92 GLN QE 4.790 . 4.790 3.009 1.743 3.856 0.057 19 0 "[ . 1 . 2]" 1
1101 1 92 GLN HA 1 92 GLN QG . . 3.660 3.245 2.960 3.446 . 0 0 "[ . 1 . 2]" 1
1102 1 92 GLN H 1 93 ALA H . . 3.210 2.540 2.081 3.038 . 0 0 "[ . 1 . 2]" 1
1103 1 92 GLN QG 1 93 ALA H 3.290 . 3.290 3.072 2.227 3.380 0.090 9 0 "[ . 1 . 2]" 1
1104 1 92 GLN QB 1 93 ALA H 3.600 . 3.600 2.858 2.095 3.751 0.151 6 0 "[ . 1 . 2]" 1
1105 1 92 GLN H 1 94 ARG H . . 4.230 3.821 3.539 4.222 . 0 0 "[ . 1 . 2]" 1
1106 1 92 GLN H 1 95 LYS QG 4.680 . 4.680 4.330 3.627 4.640 . 0 0 "[ . 1 . 2]" 1
1107 1 92 GLN HA 1 95 LYS H . . 4.240 3.324 2.760 4.246 0.006 10 0 "[ . 1 . 2]" 1
1108 1 92 GLN HA 1 95 LYS QG 4.070 . 4.070 2.299 1.704 3.014 0.096 17 0 "[ . 1 . 2]" 1
1109 1 92 GLN QE 1 95 LYS QD 5.310 . 5.310 4.124 2.833 5.069 . 0 0 "[ . 1 . 2]" 1
1110 1 92 GLN QE 1 95 LYS QG 5.320 . 5.320 4.126 3.120 4.895 . 0 0 "[ . 1 . 2]" 1
1111 1 93 ALA H 1 93 ALA MB 3.120 . 3.120 2.201 2.069 2.251 . 0 0 "[ . 1 . 2]" 1
1112 1 93 ALA H 1 94 ARG H . . 3.440 2.442 2.313 2.554 . 0 0 "[ . 1 . 2]" 1
1113 1 93 ALA H 1 94 ARG HA 4.800 . 4.800 5.043 4.936 5.147 0.347 11 0 "[ . 1 . 2]" 1
1114 1 93 ALA HA 1 94 ARG H 3.820 . 3.820 3.498 3.448 3.527 . 0 0 "[ . 1 . 2]" 1
1115 1 93 ALA MB 1 94 ARG H . . 3.250 2.560 2.351 2.863 . 0 0 "[ . 1 . 2]" 1
1116 1 93 ALA H 1 95 LYS H . . 4.670 4.050 3.722 4.461 . 0 0 "[ . 1 . 2]" 1
1117 1 93 ALA H 1 96 ARG H 5.060 . 5.060 4.796 4.585 5.017 . 0 0 "[ . 1 . 2]" 1
1118 1 93 ALA HA 1 96 ARG H 3.600 . 3.600 3.374 3.098 3.648 0.048 3 0 "[ . 1 . 2]" 1
1119 1 94 ARG H 1 94 ARG HD3 4.690 . 4.690 4.447 3.613 5.112 0.422 7 0 "[ . 1 . 2]" 1
1120 1 94 ARG H 1 94 ARG QG 3.320 . 3.320 2.694 2.023 3.029 . 0 0 "[ . 1 . 2]" 1
1121 1 94 ARG H 1 94 ARG QB 3.310 . 3.310 2.236 2.110 2.724 . 0 0 "[ . 1 . 2]" 1
1122 1 94 ARG HA 1 94 ARG QG . . 3.960 2.736 2.142 3.442 . 0 0 "[ . 1 . 2]" 1
1123 1 94 ARG QB 1 94 ARG HE 4.780 . 4.780 3.140 1.749 4.429 0.051 14 0 "[ . 1 . 2]" 1
1124 1 94 ARG H 1 95 LYS H . . 3.400 2.673 2.396 2.907 . 0 0 "[ . 1 . 2]" 1
1125 1 94 ARG HA 1 95 LYS H 4.680 . 4.680 3.516 3.436 3.564 . 0 0 "[ . 1 . 2]" 1
1126 1 94 ARG QB 1 95 LYS H 3.930 . 3.930 2.870 2.413 3.645 . 0 0 "[ . 1 . 2]" 1
1127 1 94 ARG H 1 96 ARG H . . 4.470 4.022 3.617 4.438 . 0 0 "[ . 1 . 2]" 1
1128 1 94 ARG H 1 97 LEU QD 4.230 . 4.230 3.765 3.547 3.995 . 0 0 "[ . 1 . 2]" 1
1129 1 94 ARG HA 1 97 LEU H 4.270 . 4.270 3.572 3.017 4.050 . 0 0 "[ . 1 . 2]" 1
1130 1 94 ARG HA 1 98 THR H 4.870 . 4.870 4.114 3.323 4.521 . 0 0 "[ . 1 . 2]" 1
1131 1 94 ARG HA 1 98 THR MG 4.900 . 4.900 4.392 3.056 4.950 0.050 2 0 "[ . 1 . 2]" 1
1132 1 95 LYS H 1 95 LYS HB2 3.680 . 3.680 3.206 2.440 3.662 . 0 0 "[ . 1 . 2]" 1
1133 1 95 LYS H 1 95 LYS HB3 3.680 . 3.680 3.027 2.432 3.628 . 0 0 "[ . 1 . 2]" 1
1134 1 95 LYS H 1 95 LYS QG 3.430 . 3.430 2.157 1.794 2.474 0.006 17 0 "[ . 1 . 2]" 1
1135 1 95 LYS H 1 95 LYS QE 4.840 . 4.840 4.199 2.907 5.030 0.190 4 0 "[ . 1 . 2]" 1
1136 1 95 LYS HA 1 95 LYS QG 3.850 . 3.850 3.086 2.375 3.439 . 0 0 "[ . 1 . 2]" 1
1137 1 95 LYS QE 1 95 LYS QG 3.290 . 3.290 2.323 2.105 2.439 . 0 0 "[ . 1 . 2]" 1
1138 1 95 LYS H 1 96 ARG H . . 3.430 2.631 2.450 2.913 . 0 0 "[ . 1 . 2]" 1
1139 1 95 LYS HA 1 96 ARG H 4.050 . 4.050 3.501 3.429 3.591 . 0 0 "[ . 1 . 2]" 1
1140 1 95 LYS HA 1 98 THR H 4.220 . 4.220 3.660 2.774 4.274 0.054 20 0 "[ . 1 . 2]" 1
1141 1 96 ARG H 1 96 ARG QB 2.950 . 2.950 2.555 2.321 2.885 . 0 0 "[ . 1 . 2]" 1
1142 1 96 ARG H 1 96 ARG QD 4.340 . 4.340 3.860 3.279 4.175 . 0 0 "[ . 1 . 2]" 1
1143 1 96 ARG H 1 96 ARG HG2 3.200 . 3.200 2.550 1.656 3.483 0.283 3 0 "[ . 1 . 2]" 1
1144 1 96 ARG HA 1 96 ARG QD 4.030 . 4.030 3.137 2.066 4.425 0.395 9 0 "[ . 1 . 2]" 1
1145 1 96 ARG H 1 97 LEU HG 3.590 . 3.590 3.625 3.481 3.749 0.159 14 0 "[ . 1 . 2]" 1
1146 1 96 ARG H 1 97 LEU QD 4.440 . 4.440 4.148 4.019 4.216 . 0 0 "[ . 1 . 2]" 1
1147 1 96 ARG HA 1 97 LEU H 4.040 . 4.040 3.494 3.366 3.580 . 0 0 "[ . 1 . 2]" 1
1148 1 96 ARG H 1 98 THR H 4.250 . 4.250 3.908 3.687 4.149 . 0 0 "[ . 1 . 2]" 1
1149 1 96 ARG HA 1 98 THR H 4.560 . 4.560 4.319 3.959 4.661 0.101 7 0 "[ . 1 . 2]" 1
1150 1 97 LEU H 1 97 LEU HG 3.490 . 3.490 1.893 1.612 2.146 0.188 19 0 "[ . 1 . 2]" 1
1151 1 97 LEU H 1 97 LEU QD 3.390 . 3.390 2.889 2.758 3.012 . 0 0 "[ . 1 . 2]" 1
1152 1 97 LEU HA 1 97 LEU HG 4.280 . 4.280 3.540 3.014 3.723 . 0 0 "[ . 1 . 2]" 1
1153 1 97 LEU HA 1 97 LEU QD 3.430 . 3.430 3.095 1.928 3.386 . 0 0 "[ . 1 . 2]" 1
1154 1 97 LEU H 1 98 THR H . . 3.330 2.452 2.198 2.650 . 0 0 "[ . 1 . 2]" 1
1155 1 97 LEU HA 1 98 THR H 4.030 . 4.030 3.472 3.431 3.528 . 0 0 "[ . 1 . 2]" 1
1156 1 97 LEU HB2 1 98 THR H 3.740 . 3.740 3.552 2.301 3.926 0.186 10 0 "[ . 1 . 2]" 1
1157 1 97 LEU QD 1 98 THR H 3.980 . 3.980 2.602 2.022 3.971 . 0 0 "[ . 1 . 2]" 1
1158 1 97 LEU H 1 99 LYS H 4.470 . 4.470 4.586 4.451 4.723 0.253 17 0 "[ . 1 . 2]" 1
1159 1 98 THR H 1 98 THR MG . . 3.460 2.917 2.171 3.309 . 0 0 "[ . 1 . 2]" 1
1160 1 98 THR HA 1 98 THR MG 3.300 . 3.300 2.449 2.215 3.233 . 0 0 "[ . 1 . 2]" 1
1161 1 98 THR H 1 99 LYS H . . 3.420 3.101 2.875 3.375 . 0 0 "[ . 1 . 2]" 1
1162 1 98 THR H 1 99 LYS HA 4.540 . 4.540 4.552 4.343 4.728 0.188 16 0 "[ . 1 . 2]" 1
1163 1 98 THR HA 1 99 LYS H 4.180 . 4.180 2.640 2.388 2.893 . 0 0 "[ . 1 . 2]" 1
1164 1 99 LYS H 1 99 LYS HB2 3.620 . 3.620 3.616 3.567 3.679 0.059 11 0 "[ . 1 . 2]" 1
1165 1 99 LYS H 1 99 LYS HG2 3.940 . 3.940 1.924 1.752 2.237 0.048 16 0 "[ . 1 . 2]" 1
1166 1 99 LYS H 1 99 LYS HG3 4.330 . 4.330 3.217 2.807 3.635 . 0 0 "[ . 1 . 2]" 1
1167 1 99 LYS H 1 99 LYS QD 3.550 . 3.550 3.608 3.321 3.734 0.184 15 0 "[ . 1 . 2]" 1
1168 1 99 LYS H 1 99 LYS QE 4.710 . 4.710 4.304 3.840 4.711 0.001 11 0 "[ . 1 . 2]" 1
1169 1 99 LYS H 1 100 ARG H . . 4.230 3.269 2.322 4.432 0.202 16 0 "[ . 1 . 2]" 1
1170 1 99 LYS HA 1 100 ARG H . . 2.880 3.026 2.205 3.288 0.408 5 0 "[ . 1 . 2]" 1
1171 1 99 LYS HG2 1 100 ARG H 3.940 . 3.940 3.485 2.891 4.447 0.507 11 1 "[ . 1+ . 2]" 1
1172 1 99 LYS HG3 1 100 ARG H 4.310 . 4.310 3.128 2.395 3.774 . 0 0 "[ . 1 . 2]" 1
1173 1 99 LYS QE 1 100 ARG H 4.670 . 4.670 4.438 2.392 4.888 0.218 5 0 "[ . 1 . 2]" 1
1174 1 99 LYS H 1 101 SER H . . 4.130 3.992 3.624 4.434 0.304 16 0 "[ . 1 . 2]" 1
1175 1 99 LYS HB2 1 101 SER H 3.420 . 3.420 3.352 2.774 3.636 0.216 2 0 "[ . 1 . 2]" 1
1176 1 99 LYS HG2 1 101 SER H 3.870 . 3.870 3.094 2.542 3.578 . 0 0 "[ . 1 . 2]" 1
1177 1 99 LYS HG3 1 101 SER H 3.700 . 3.700 1.805 1.688 2.153 0.112 8 0 "[ . 1 . 2]" 1
1178 1 99 LYS QD 1 101 SER H 4.180 . 4.180 3.829 3.067 4.287 0.107 16 0 "[ . 1 . 2]" 1
1179 1 99 LYS QE 1 101 SER H 4.690 . 4.690 3.390 3.118 4.028 . 0 0 "[ . 1 . 2]" 1
1180 1 99 LYS H 1 102 GLU H 4.840 . 4.840 4.777 3.752 4.976 0.136 11 0 "[ . 1 . 2]" 1
1181 1 99 LYS HG2 1 102 GLU H 4.070 . 4.070 3.850 2.392 4.142 0.072 17 0 "[ . 1 . 2]" 1
1182 1 99 LYS HG3 1 102 GLU H 4.060 . 4.060 3.129 2.478 3.561 . 0 0 "[ . 1 . 2]" 1
1183 1 99 LYS QE 1 102 GLU H 4.760 . 4.760 3.826 2.697 4.794 0.034 11 0 "[ . 1 . 2]" 1
1184 1 100 ARG H 1 100 ARG QB 3.050 . 3.050 2.801 2.197 3.247 0.197 8 0 "[ . 1 . 2]" 1
1185 1 100 ARG H 1 100 ARG QD 4.550 . 4.550 3.733 2.089 4.599 0.049 17 0 "[ . 1 . 2]" 1
1186 1 100 ARG HA 1 100 ARG QD 4.560 . 4.560 2.302 1.811 3.323 . 0 0 "[ . 1 . 2]" 1
1187 1 100 ARG H 1 101 SER H . . 3.580 2.548 2.190 2.989 . 0 0 "[ . 1 . 2]" 1
1188 1 100 ARG HA 1 101 SER H 3.790 . 3.790 3.077 2.794 3.436 . 0 0 "[ . 1 . 2]" 1
1189 1 100 ARG QB 1 101 SER H 3.550 . 3.550 3.543 2.719 3.748 0.198 11 0 "[ . 1 . 2]" 1
1190 1 100 ARG QD 1 101 SER H 5.070 . 5.070 4.694 3.696 5.161 0.091 3 0 "[ . 1 . 2]" 1
1191 1 100 ARG H 1 102 GLU H 4.510 . 4.510 3.911 2.995 4.624 0.114 11 0 "[ . 1 . 2]" 1
1192 1 100 ARG HA 1 102 GLU H . . 3.980 3.581 3.073 4.451 0.471 17 0 "[ . 1 . 2]" 1
1193 1 101 SER H 1 101 SER HB2 3.620 . 3.620 2.784 2.496 3.679 0.059 17 0 "[ . 1 . 2]" 1
1194 1 101 SER H 1 101 SER HB3 3.560 . 3.560 3.149 2.534 3.771 0.211 5 0 "[ . 1 . 2]" 1
1195 1 101 SER H 1 102 GLU H . . 3.180 2.169 1.770 2.367 0.030 17 0 "[ . 1 . 2]" 1
1196 1 101 SER H 1 102 GLU HA 4.760 . 4.760 4.677 3.848 4.913 0.153 3 0 "[ . 1 . 2]" 1
1197 1 101 SER H 1 102 GLU QG 4.570 . 4.570 4.359 3.445 4.713 0.143 11 0 "[ . 1 . 2]" 1
1198 1 101 SER HA 1 102 GLU H 3.580 . 3.580 3.241 3.044 3.471 . 0 0 "[ . 1 . 2]" 1
1199 1 101 SER HB2 1 102 GLU H 4.090 . 4.090 3.974 3.175 4.461 0.371 18 0 "[ . 1 . 2]" 1
1200 1 101 SER HB3 1 102 GLU H 4.410 . 4.410 3.875 2.966 4.460 0.050 14 0 "[ . 1 . 2]" 1
1201 1 102 GLU H 1 102 GLU QB 2.970 . 2.970 2.904 2.450 3.198 0.228 16 0 "[ . 1 . 2]" 1
1202 1 102 GLU H 1 102 GLU QG 3.430 . 3.430 2.998 2.136 3.475 0.045 17 0 "[ . 1 . 2]" 1
1203 1 102 GLU H 1 103 GLU H . . 3.850 4.239 3.365 4.544 0.694 11 1 "[ . 1+ . 2]" 1
1204 1 102 GLU HA 1 103 GLU H . . 3.340 2.429 2.169 3.402 0.062 17 0 "[ . 1 . 2]" 1
1205 1 102 GLU QB 1 103 GLU H 4.050 . 4.050 2.381 1.858 3.513 . 0 0 "[ . 1 . 2]" 1
1206 1 102 GLU QG 1 103 GLU H . . 3.620 3.089 2.289 3.608 . 0 0 "[ . 1 . 2]" 1
1207 1 102 GLU QG 1 103 GLU HA 3.720 . 3.720 3.670 3.179 4.015 0.295 17 0 "[ . 1 . 2]" 1
1208 1 102 GLU HA 1 104 VAL H 3.530 . 3.530 3.696 3.407 3.860 0.330 4 0 "[ . 1 . 2]" 1
1209 1 102 GLU QG 1 104 VAL H 3.610 . 3.610 2.192 1.791 2.817 0.009 19 0 "[ . 1 . 2]" 1
1210 1 102 GLU QG 1 104 VAL QG 3.870 . 3.870 3.661 3.127 3.891 0.021 11 0 "[ . 1 . 2]" 1
1211 1 103 GLU H 1 103 GLU HG2 3.990 . 3.990 2.912 1.827 4.215 0.225 18 0 "[ . 1 . 2]" 1
1212 1 103 GLU H 1 103 GLU QB 3.790 . 3.790 2.825 2.463 3.490 . 0 0 "[ . 1 . 2]" 1
1213 1 103 GLU HA 1 103 GLU HG2 3.970 . 3.970 3.277 2.599 3.798 . 0 0 "[ . 1 . 2]" 1
1214 1 103 GLU HA 1 103 GLU HG3 4.030 . 4.030 3.608 2.979 4.210 0.180 8 0 "[ . 1 . 2]" 1
1215 1 103 GLU H 1 104 VAL H . . 3.200 1.943 1.750 2.558 0.050 1 0 "[ . 1 . 2]" 1
1216 1 103 GLU H 1 104 VAL QG . . 4.130 2.812 1.946 4.329 0.199 17 0 "[ . 1 . 2]" 1
1217 1 103 GLU HA 1 104 VAL HB 4.040 . 4.040 4.647 4.312 5.528 1.488 16 6 "[ -* .** 1 *.+ 2]" 1
1218 1 103 GLU HG2 1 104 VAL H 4.300 . 4.300 4.230 3.332 5.195 0.895 13 6 "[ .- 1 +*. ***]" 1
1219 1 103 GLU QB 1 104 VAL H 3.660 . 3.660 3.610 3.131 3.892 0.232 10 0 "[ . 1 . 2]" 1
1220 1 104 VAL H 1 104 VAL QG . . 3.350 2.554 2.256 2.754 . 0 0 "[ . 1 . 2]" 1
1221 1 104 VAL H 1 105 VAL H 4.460 . 4.460 4.281 4.116 4.531 0.071 3 0 "[ . 1 . 2]" 1
1222 1 104 VAL HA 1 105 VAL H 3.060 . 3.060 2.319 2.165 2.514 . 0 0 "[ . 1 . 2]" 1
1223 1 104 VAL HB 1 105 VAL H . . 4.080 4.075 3.638 4.162 0.082 3 0 "[ . 1 . 2]" 1
1224 1 104 VAL QG 1 105 VAL H . . 3.260 2.256 1.591 2.565 0.209 11 0 "[ . 1 . 2]" 1
1225 1 104 VAL QG 1 106 ARG H 4.280 . 4.280 3.582 2.658 4.120 . 0 0 "[ . 1 . 2]" 1
1226 1 105 VAL H 1 105 VAL HB 3.720 . 3.720 3.331 2.747 3.890 0.170 5 0 "[ . 1 . 2]" 1
1227 1 105 VAL H 1 105 VAL QG 3.480 . 3.480 2.105 1.598 2.460 0.202 11 0 "[ . 1 . 2]" 1
1228 1 105 VAL HA 1 105 VAL QG 3.280 . 3.280 2.251 2.107 2.370 . 0 0 "[ . 1 . 2]" 1
1229 1 105 VAL HA 1 106 ARG H 3.180 . 3.180 2.137 2.047 2.396 . 0 0 "[ . 1 . 2]" 1
1230 1 106 ARG H 1 106 ARG QB 3.200 . 3.200 2.202 2.084 2.621 . 0 0 "[ . 1 . 2]" 1
1231 1 106 ARG H 1 106 ARG QG 3.860 . 3.860 3.655 2.595 4.304 0.444 11 0 "[ . 1 . 2]" 1
1232 1 106 ARG H 1 106 ARG QD 4.240 . 4.240 3.882 2.179 4.373 0.133 13 0 "[ . 1 . 2]" 1
1233 1 106 ARG H 1 107 LEU H 4.460 . 4.460 4.462 4.265 4.516 0.056 16 0 "[ . 1 . 2]" 1
1234 1 106 ARG HA 1 107 LEU H 3.300 . 3.300 2.180 2.084 2.252 . 0 0 "[ . 1 . 2]" 1
1235 1 106 ARG QB 1 107 LEU H 3.290 . 3.290 3.354 3.059 3.705 0.415 12 0 "[ . 1 . 2]" 1
1236 1 106 ARG QG 1 107 LEU H 3.990 . 3.990 3.061 2.310 4.011 0.021 17 0 "[ . 1 . 2]" 1
1237 1 106 ARG QD 1 107 LEU H . . 4.700 4.407 1.731 4.872 0.172 1 0 "[ . 1 . 2]" 1
1238 1 107 LEU H 1 107 LEU HB2 . . 3.870 3.002 2.328 3.732 . 0 0 "[ . 1 . 2]" 1
1239 1 107 LEU H 1 107 LEU HB3 3.460 . 3.460 3.711 3.375 3.879 0.419 16 0 "[ . 1 . 2]" 1
1240 1 107 LEU H 1 107 LEU QD 3.890 . 3.890 2.511 1.743 3.302 0.057 5 0 "[ . 1 . 2]" 1
1241 1 107 LEU HA 1 107 LEU QD . . 3.640 2.470 1.975 3.350 . 0 0 "[ . 1 . 2]" 1
1242 1 107 LEU H 1 108 LEU H . . 4.590 4.280 3.975 4.467 . 0 0 "[ . 1 . 2]" 1
1243 1 107 LEU HA 1 108 LEU H . . 3.130 2.128 1.986 2.262 . 0 0 "[ . 1 . 2]" 1
1244 1 107 LEU HB2 1 108 LEU H . . 3.780 3.536 2.363 4.376 0.596 17 1 "[ . 1 . + 2]" 1
1245 1 107 LEU HB3 1 108 LEU H 4.160 . 4.160 3.107 2.661 3.683 . 0 0 "[ . 1 . 2]" 1
1246 1 107 LEU QD 1 108 LEU H . . 3.770 3.722 3.567 4.069 0.299 3 0 "[ . 1 . 2]" 1
1247 1 108 LEU H 1 108 LEU HB2 . . 3.520 2.467 2.202 2.830 . 0 0 "[ . 1 . 2]" 1
1248 1 108 LEU H 1 108 LEU QD 4.250 . 4.250 3.351 2.669 3.882 . 0 0 "[ . 1 . 2]" 1
1249 1 108 LEU HA 1 108 LEU QD . . 3.000 2.076 1.785 2.660 0.015 18 0 "[ . 1 . 2]" 1
1250 1 108 LEU HB2 1 108 LEU QD . . 2.670 2.283 2.091 2.568 . 0 0 "[ . 1 . 2]" 1
1251 1 108 LEU H 1 109 VAL H 4.680 . 4.680 4.269 4.059 4.481 . 0 0 "[ . 1 . 2]" 1
1252 1 108 LEU HA 1 109 VAL H . . 2.990 2.176 2.069 2.303 . 0 0 "[ . 1 . 2]" 1
1253 1 108 LEU HA 1 109 VAL QG 4.060 . 4.060 3.565 3.189 3.886 . 0 0 "[ . 1 . 2]" 1
1254 1 108 LEU HB3 1 109 VAL H 3.460 . 3.460 3.546 3.134 3.749 0.289 10 0 "[ . 1 . 2]" 1
1255 1 108 LEU QD 1 109 VAL H 3.710 . 3.710 3.290 2.023 3.737 0.027 4 0 "[ . 1 . 2]" 1
1256 1 109 VAL H 1 109 VAL HB 3.580 . 3.580 3.115 2.707 3.818 0.238 10 0 "[ . 1 . 2]" 1
1257 1 109 VAL H 1 109 VAL QG . . 3.050 2.246 1.965 2.541 . 0 0 "[ . 1 . 2]" 1
1258 1 109 VAL H 1 110 THR H 3.740 . 3.740 4.279 4.183 4.383 0.643 20 12 "[** *-****1 * *. * +]" 1
1259 1 109 VAL HA 1 110 THR H . . 3.200 2.367 2.193 2.530 . 0 0 "[ . 1 . 2]" 1
1260 1 109 VAL HA 1 110 THR MG 4.720 . 4.720 3.788 3.542 4.761 0.041 17 0 "[ . 1 . 2]" 1
1261 1 109 VAL HB 1 110 THR H . . 3.410 3.388 1.819 3.809 0.399 13 0 "[ . 1 . 2]" 1
1262 1 109 VAL QG 1 110 THR H 3.280 . 3.280 1.916 1.394 3.043 0.406 15 0 "[ . 1 . 2]" 1
1263 1 109 VAL QG 1 111 ARG H 4.750 . 4.750 3.605 3.399 4.050 . 0 0 "[ . 1 . 2]" 1
1264 1 110 THR H 1 110 THR HB 3.770 . 3.770 3.738 3.183 3.867 0.097 20 0 "[ . 1 . 2]" 1
1265 1 110 THR H 1 110 THR MG . . 3.840 3.328 3.083 3.855 0.015 17 0 "[ . 1 . 2]" 1
1266 1 110 THR HA 1 110 THR MG . . 3.610 2.205 2.136 2.242 . 0 0 "[ . 1 . 2]" 1
1267 1 110 THR H 1 111 ARG H 4.340 . 4.340 4.058 3.921 4.263 . 0 0 "[ . 1 . 2]" 1
1268 1 110 THR H 1 111 ARG HA 4.670 . 4.670 4.668 4.261 4.824 0.154 5 0 "[ . 1 . 2]" 1
1269 1 110 THR H 1 111 ARG QG 5.500 . 5.500 4.897 4.315 5.782 0.282 14 0 "[ . 1 . 2]" 1
1270 1 110 THR HA 1 111 ARG H . . 3.100 2.117 2.054 2.174 . 0 0 "[ . 1 . 2]" 1
1271 1 110 THR HA 1 111 ARG QG 5.510 . 5.510 4.158 3.703 5.503 . 0 0 "[ . 1 . 2]" 1
1272 1 110 THR HB 1 111 ARG H 3.920 . 3.920 3.603 3.338 3.959 0.039 17 0 "[ . 1 . 2]" 1
1273 1 110 THR MG 1 111 ARG H . . 3.780 3.770 3.139 3.913 0.133 8 0 "[ . 1 . 2]" 1
1274 1 110 THR HB 1 112 GLN QE 5.390 . 5.390 3.945 2.977 5.353 . 0 0 "[ . 1 . 2]" 1
1275 1 111 ARG H 1 111 ARG HD2 4.780 . 4.780 4.844 4.298 5.067 0.287 18 0 "[ . 1 . 2]" 1
1276 1 111 ARG H 1 111 ARG HD3 . . 4.860 4.671 3.583 5.055 0.195 7 0 "[ . 1 . 2]" 1
1277 1 111 ARG H 1 111 ARG HG2 3.880 . 3.880 2.847 2.234 4.243 0.363 20 0 "[ . 1 . 2]" 1
1278 1 111 ARG H 1 111 ARG HG3 3.880 . 3.880 3.419 2.363 4.341 0.461 10 0 "[ . 1 . 2]" 1
1279 1 111 ARG H 1 111 ARG QB 3.840 . 3.840 2.623 2.041 3.135 . 0 0 "[ . 1 . 2]" 1
1280 1 111 ARG H 1 112 GLN QE 4.860 . 4.860 4.193 3.851 4.462 . 0 0 "[ . 1 . 2]" 1
1281 1 111 ARG HA 1 112 GLN H 3.130 . 3.130 2.395 2.133 2.724 . 0 0 "[ . 1 . 2]" 1
1282 1 111 ARG HD2 1 112 GLN H 4.690 . 4.690 4.113 2.151 5.536 0.846 8 2 "[ . + 1 - . 2]" 1
1283 1 111 ARG QG 1 112 GLN H 4.500 . 4.500 3.605 1.783 4.279 0.017 10 0 "[ . 1 . 2]" 1
1284 1 111 ARG QB 1 112 GLN H 3.810 . 3.810 2.466 2.167 3.409 . 0 0 "[ . 1 . 2]" 1
1285 1 111 ARG HD2 1 113 SER H 5.230 . 5.230 4.274 2.721 5.523 0.293 10 0 "[ . 1 . 2]" 1
1286 1 111 ARG HD3 1 113 SER H 5.270 . 5.270 4.577 2.964 5.553 0.283 14 0 "[ . 1 . 2]" 1
1287 1 111 ARG QG 1 113 SER H 4.290 . 4.290 4.126 2.830 4.744 0.454 10 0 "[ . 1 . 2]" 1
1288 1 112 GLN H 1 112 GLN HB3 4.130 . 4.130 3.602 3.128 4.073 . 0 0 "[ . 1 . 2]" 1
1289 1 112 GLN H 1 112 GLN HB2 3.230 . 3.230 2.615 2.282 3.609 0.379 10 0 "[ . 1 . 2]" 1
1290 1 112 GLN H 1 112 GLN QE . . 4.900 3.020 2.122 4.258 . 0 0 "[ . 1 . 2]" 1
1291 1 112 GLN H 1 112 GLN QG . . 3.600 2.631 2.021 4.166 0.566 18 1 "[ . 1 . + 2]" 1
1292 1 112 GLN HA 1 112 GLN QE 4.240 . 4.240 2.632 1.556 4.136 0.244 2 0 "[ . 1 . 2]" 1
1293 1 112 GLN H 1 113 SER H . . 3.760 2.296 1.786 3.741 0.014 2 0 "[ . 1 . 2]" 1
1294 1 112 GLN HA 1 113 SER H . . 2.670 3.344 2.932 3.480 0.810 20 18 "[***-************ *+]" 1
1295 1 112 GLN HB3 1 113 SER H 3.520 . 3.520 3.491 2.731 4.203 0.683 17 1 "[ . 1 . + 2]" 1
1296 1 112 GLN HB3 1 113 SER QB 4.420 . 4.420 4.587 3.820 5.018 0.598 15 4 "[ * . 1- +* 2]" 1
1297 1 112 GLN HB2 1 113 SER H 3.480 . 3.480 2.474 1.489 4.290 0.810 18 1 "[ . 1 . + 2]" 1
1298 1 112 GLN QG 1 113 SER H 4.230 . 4.230 3.788 3.317 4.163 . 0 0 "[ . 1 . 2]" 1
1299 1 112 GLN HB2 1 114 LEU H 4.260 . 4.260 2.733 2.052 5.170 0.910 18 1 "[ . 1 . + 2]" 1
1300 1 112 GLN QG 1 114 LEU H 4.920 . 4.920 4.226 3.819 4.807 . 0 0 "[ . 1 . 2]" 1
1301 1 113 SER H 1 113 SER QB . . 3.060 3.127 2.330 3.354 0.294 2 0 "[ . 1 . 2]" 1
1302 1 113 SER H 1 114 LEU H . . 3.540 2.258 1.718 2.719 0.082 19 0 "[ . 1 . 2]" 1
1303 1 113 SER H 1 114 LEU QB 4.530 . 4.530 4.391 2.882 4.852 0.322 11 0 "[ . 1 . 2]" 1
1304 1 113 SER H 1 114 LEU QD 3.890 . 3.890 3.549 1.945 3.984 0.094 5 0 "[ . 1 . 2]" 1
1305 1 113 SER HA 1 114 LEU H . . 2.750 3.017 2.848 3.369 0.619 20 1 "[ . 1 . +]" 1
1306 1 113 SER QB 1 114 LEU H . . 3.520 3.447 2.658 3.663 0.143 10 0 "[ . 1 . 2]" 1
1307 1 113 SER QB 1 114 LEU QB 4.160 . 4.160 4.227 3.705 4.653 0.493 14 0 "[ . 1 . 2]" 1
1308 1 113 SER QB 1 114 LEU QD 3.910 . 3.910 3.153 2.189 3.945 0.035 10 0 "[ . 1 . 2]" 1
1309 1 113 SER H 1 115 GLN H 4.330 . 4.330 3.887 2.794 4.552 0.222 1 0 "[ . 1 . 2]" 1
1310 1 113 SER QB 1 115 GLN H 4.470 . 4.470 4.532 3.194 4.772 0.302 8 0 "[ . 1 . 2]" 1
1311 1 114 LEU H 1 114 LEU QB . . 2.880 2.654 2.037 3.173 0.293 12 0 "[ . 1 . 2]" 1
1312 1 114 LEU H 1 114 LEU QD 3.790 . 3.790 2.492 1.663 3.383 0.137 18 0 "[ . 1 . 2]" 1
1313 1 114 LEU QB 1 114 LEU QD 2.790 . 2.790 2.016 1.853 2.076 . 0 0 "[ . 1 . 2]" 1
1314 1 114 LEU H 1 115 GLN QG 4.780 . 4.780 3.676 2.679 4.576 . 0 0 "[ . 1 . 2]" 1
1315 1 114 LEU HA 1 115 GLN H . . 2.610 2.708 2.180 3.373 0.763 8 1 "[ . + 1 . 2]" 1
1316 1 114 LEU QB 1 115 GLN H 3.260 . 3.260 3.677 3.377 3.847 0.587 18 3 "[ . *1 - . + 2]" 1
1317 1 114 LEU QD 1 115 GLN H 3.600 . 3.600 3.402 2.502 3.733 0.133 14 0 "[ . 1 . 2]" 1
1318 1 115 GLN H 1 115 GLN HB2 3.370 . 3.370 2.942 2.239 3.679 0.309 14 0 "[ . 1 . 2]" 1
1319 1 115 GLN H 1 115 GLN HB3 . . 3.020 3.212 2.515 3.636 0.616 7 9 "[- . +* 1 * **** *]" 1
1320 1 115 GLN H 1 115 GLN QG . . 3.370 2.275 1.787 3.390 0.020 7 0 "[ . 1 . 2]" 1
1321 1 115 GLN HA 1 115 GLN QG 3.740 . 3.740 2.941 2.321 3.428 . 0 0 "[ . 1 . 2]" 1
1322 1 115 GLN HA 1 116 LYS H . . 2.950 2.342 2.106 2.787 . 0 0 "[ . 1 . 2]" 1
1323 1 115 GLN HB2 1 116 LYS H 4.220 . 4.220 3.434 2.319 4.523 0.303 18 0 "[ . 1 . 2]" 1
1324 1 115 GLN HB3 1 116 LYS H 4.500 . 4.500 3.391 1.799 4.232 0.001 20 0 "[ . 1 . 2]" 1
1325 1 115 GLN QG 1 116 LYS H 4.700 . 4.700 4.140 3.545 4.855 0.155 16 0 "[ . 1 . 2]" 1
1326 1 116 LYS H 1 116 LYS HB3 3.580 . 3.580 3.454 2.308 4.130 0.550 9 2 "[ . +1 - . 2]" 1
1327 1 116 LYS H 1 116 LYS QG 4.170 . 4.170 2.846 1.851 4.302 0.132 2 0 "[ . 1 . 2]" 1
1328 1 116 LYS HA 1 116 LYS QG 3.820 . 3.820 2.732 2.311 3.420 . 0 0 "[ . 1 . 2]" 1
1329 1 116 LYS HA 1 117 ALA H 2.810 . 2.810 2.253 2.072 2.562 . 0 0 "[ . 1 . 2]" 1
1330 1 116 LYS HB2 1 117 ALA H 3.770 . 3.770 3.787 2.235 4.461 0.691 5 2 "[ -+ 1 . 2]" 1
1331 1 116 LYS HB3 1 118 VAL H 5.110 . 5.110 3.527 2.290 4.921 . 0 0 "[ . 1 . 2]" 1
1332 1 117 ALA H 1 117 ALA MB . . 3.000 2.622 2.406 2.998 . 0 0 "[ . 1 . 2]" 1
1333 1 117 ALA H 1 118 VAL H 3.150 . 3.150 2.092 1.725 3.308 0.158 14 0 "[ . 1 . 2]" 1
1334 1 117 ALA H 1 118 VAL HB 4.690 . 4.690 3.963 3.521 4.984 0.294 12 0 "[ . 1 . 2]" 1
1335 1 117 ALA H 1 118 VAL QG 4.630 . 4.630 2.767 2.071 4.474 . 0 0 "[ . 1 . 2]" 1
1336 1 117 ALA HA 1 118 VAL H . . 2.690 2.823 2.146 2.980 0.290 5 0 "[ . 1 . 2]" 1
1337 1 117 ALA MB 1 118 VAL H . . 3.460 3.499 3.256 3.632 0.172 9 0 "[ . 1 . 2]" 1
1338 1 117 ALA H 1 119 GLN QG 5.230 . 5.230 4.956 3.954 5.383 0.153 14 0 "[ . 1 . 2]" 1
1339 1 118 VAL H 1 118 VAL HB . . 3.090 2.886 2.373 3.503 0.413 3 0 "[ . 1 . 2]" 1
1340 1 118 VAL H 1 118 VAL QG 3.020 . 3.020 2.330 1.671 2.967 0.129 3 0 "[ . 1 . 2]" 1
1341 1 118 VAL H 1 119 GLN H . . 3.600 3.461 1.773 3.729 0.129 9 0 "[ . 1 . 2]" 1
1342 1 118 VAL H 1 119 GLN QG 5.420 . 5.420 3.538 2.797 4.782 . 0 0 "[ . 1 . 2]" 1
1343 1 118 VAL HA 1 119 GLN H . . 2.810 2.377 2.151 3.223 0.413 5 0 "[ . 1 . 2]" 1
1344 1 118 VAL QG 1 119 GLN H 3.470 . 3.470 3.372 3.220 3.423 . 0 0 "[ . 1 . 2]" 1
1345 1 119 GLN H 1 119 GLN HB2 3.140 . 3.140 2.787 2.442 3.726 0.586 16 2 "[ .- 1 .+ 2]" 1
1346 1 119 GLN H 1 119 GLN QG 3.720 . 3.720 2.727 1.860 3.180 . 0 0 "[ . 1 . 2]" 1
1347 1 119 GLN HA 1 119 GLN HE21 4.710 . 4.710 3.961 2.284 4.866 0.156 16 0 "[ . 1 . 2]" 1
1348 1 119 GLN HB2 1 119 GLN HE21 4.420 . 4.420 3.440 1.764 4.450 0.036 19 0 "[ . 1 . 2]" 1
1349 1 119 GLN HE22 1 119 GLN QG . . 3.330 3.348 3.213 3.467 0.137 7 0 "[ . 1 . 2]" 1
1350 1 119 GLN HA 1 120 GLN H . . 2.890 2.450 2.127 2.967 0.077 7 0 "[ . 1 . 2]" 1
1351 1 120 GLN H 1 120 GLN HB3 3.460 . 3.460 3.270 2.467 4.051 0.591 9 1 "[ . +1 . 2]" 1
1352 1 120 GLN H 1 120 GLN QG 3.970 . 3.970 2.890 1.981 4.174 0.204 5 0 "[ . 1 . 2]" 1
1353 1 120 GLN HA 1 120 GLN HE21 4.650 . 4.650 4.339 3.909 4.847 0.197 14 0 "[ . 1 . 2]" 1
1354 1 120 GLN HB3 1 120 GLN HE21 4.540 . 4.540 3.157 1.713 4.577 0.087 15 0 "[ . 1 . 2]" 1
1355 1 120 GLN HE21 1 120 GLN QG 3.260 . 3.260 2.396 2.118 2.798 . 0 0 "[ . 1 . 2]" 1
1356 1 120 GLN HE22 1 120 GLN QG 3.810 . 3.810 3.338 3.187 3.487 . 0 0 "[ . 1 . 2]" 1
1357 1 120 GLN HA 1 121 SER H 3.520 . 3.520 2.553 2.123 3.492 . 0 0 "[ . 1 . 2]" 1
1358 1 120 GLN HB2 1 121 SER H 4.410 . 4.410 3.841 2.207 4.623 0.213 10 0 "[ . 1 . 2]" 1
1359 1 120 GLN QG 1 121 SER H 5.190 . 5.190 3.824 2.160 4.897 . 0 0 "[ . 1 . 2]" 1
1360 1 121 SER H 1 121 SER QB 3.920 . 3.920 2.836 2.315 3.404 . 0 0 "[ . 1 . 2]" 1
1361 1 121 SER HA 1 122 MET H 3.700 . 3.700 2.557 2.101 3.573 . 0 0 "[ . 1 . 2]" 1
1362 1 121 SER QB 1 122 MET H 5.490 . 5.490 3.287 1.885 4.026 . 0 0 "[ . 1 . 2]" 1
1363 1 122 MET H 1 122 MET HB3 4.120 . 4.120 3.410 2.469 4.134 0.014 17 0 "[ . 1 . 2]" 1
1364 1 122 MET H 1 122 MET HG2 5.300 . 5.300 3.658 1.920 4.929 . 0 0 "[ . 1 . 2]" 1
1365 1 122 MET H 1 122 MET HG3 5.430 . 5.430 3.738 2.357 4.761 . 0 0 "[ . 1 . 2]" 1
1366 1 122 MET HA 1 123 LEU H 3.560 . 3.560 2.542 2.096 3.533 . 0 0 "[ . 1 . 2]" 1
1367 1 123 LEU H 1 123 LEU QB 3.450 . 3.450 2.676 2.231 3.392 . 0 0 "[ . 1 . 2]" 1
1368 1 123 LEU HA 1 123 LEU MD1 . . 3.350 2.742 1.862 4.118 0.768 10 4 "[ *. + . * -]" 1
1369 1 123 LEU HA 1 124 SER H 3.780 . 3.780 2.474 2.126 3.544 . 0 0 "[ . 1 . 2]" 1
1370 2 1 LYS QB 2 1 LYS QD 2.840 . 2.840 2.393 2.079 2.870 0.030 6 0 "[ . 1 . 2]" 1
1371 2 1 LYS QD 2 1 LYS QG . . 2.410 2.046 1.990 2.098 . 0 0 "[ . 1 . 2]" 1
1372 2 2 GLU HA 2 2 GLU QG 3.720 . 3.720 3.063 2.338 3.518 . 0 0 "[ . 1 . 2]" 1
1373 2 2 GLU HA 2 3 ASN H 3.220 . 3.220 2.305 2.049 3.305 0.085 15 0 "[ . 1 . 2]" 1
1374 2 2 GLU HB2 2 3 ASN H 4.080 . 4.080 3.337 1.951 4.120 0.040 12 0 "[ . 1 . 2]" 1
1375 2 2 GLU HB3 2 3 ASN H 4.340 . 4.340 3.642 1.747 4.490 0.150 20 0 "[ . 1 . 2]" 1
1376 2 2 GLU QG 2 3 ASN H 4.510 . 4.510 3.550 1.834 4.637 0.127 2 0 "[ . 1 . 2]" 1
1377 2 3 ASN H 2 3 ASN HB3 . . 3.440 3.218 2.548 3.764 0.324 19 0 "[ . 1 . 2]" 1
1378 2 3 ASN HA 2 4 LEU H 3.000 . 3.000 2.641 2.127 3.447 0.447 7 0 "[ . 1 . 2]" 1
1379 2 3 ASN HB2 2 4 LEU H 4.580 . 4.580 3.622 1.836 4.623 0.043 18 0 "[ . 1 . 2]" 1
1380 2 4 LEU H 2 4 LEU HG . . 3.550 3.397 2.429 3.928 0.378 14 0 "[ . 1 . 2]" 1
1381 2 4 LEU HA 2 4 LEU HG 4.140 . 4.140 3.240 2.401 3.711 . 0 0 "[ . 1 . 2]" 1
1382 2 4 LEU HA 2 4 LEU QD 3.800 . 3.800 2.871 1.783 3.455 0.017 2 0 "[ . 1 . 2]" 1
1383 2 4 LEU HA 2 5 GLU H 3.350 . 3.350 2.317 2.083 3.513 0.163 3 0 "[ . 1 . 2]" 1
1384 2 4 LEU HG 2 5 GLU H 4.200 . 4.200 4.083 2.533 4.340 0.140 9 0 "[ . 1 . 2]" 1
1385 2 5 GLU H 2 5 GLU QG 4.510 . 4.510 3.417 2.431 4.592 0.082 17 0 "[ . 1 . 2]" 1
1386 2 5 GLU QB 2 5 GLU QG 2.490 . 2.490 2.040 1.905 2.089 . 0 0 "[ . 1 . 2]" 1
1387 2 5 GLU HA 2 6 SER H 3.830 . 3.830 2.557 2.057 3.577 . 0 0 "[ . 1 . 2]" 1
1388 2 5 GLU QB 2 6 SER H 4.510 . 4.510 2.531 1.660 3.561 0.140 20 0 "[ . 1 . 2]" 1
1389 2 5 GLU QG 2 6 SER H 4.440 . 4.440 3.014 1.752 4.026 0.048 17 0 "[ . 1 . 2]" 1
1390 2 6 SER HA 2 7 MET H 3.730 . 3.730 2.274 2.101 2.582 . 0 0 "[ . 1 . 2]" 1
1391 2 6 SER QB 2 7 MET H 4.880 . 4.880 3.030 1.896 3.817 . 0 0 "[ . 1 . 2]" 1
1392 2 7 MET H 2 7 MET HG2 4.760 . 4.760 2.724 1.765 4.527 0.035 8 0 "[ . 1 . 2]" 1
1393 2 7 MET HA 2 7 MET HG2 4.340 . 4.340 3.348 2.482 3.807 . 0 0 "[ . 1 . 2]" 1
1394 2 7 MET HA 2 7 MET HG3 4.080 . 4.080 3.540 2.540 4.138 0.058 4 0 "[ . 1 . 2]" 1
1395 2 7 MET HA 2 8 VAL H 3.340 . 3.340 2.252 2.077 3.472 0.132 10 0 "[ . 1 . 2]" 1
1396 2 7 MET HA 2 8 VAL QG . . 4.570 3.200 2.937 3.438 . 0 0 "[ . 1 . 2]" 1
1397 2 7 MET QB 2 8 VAL H 4.590 . 4.590 3.049 2.357 3.732 . 0 0 "[ . 1 . 2]" 1
1398 2 8 VAL H 2 8 VAL QG 3.870 . 3.870 2.172 1.749 2.928 0.051 9 0 "[ . 1 . 2]" 1
1399 1 94 ARG QG 2 8 VAL QG 4.270 . 4.270 3.609 1.907 4.288 0.018 4 0 "[ . 1 . 2]" 1
1400 1 94 ARG HA 2 8 VAL QG 4.460 . 4.460 3.759 2.857 4.570 0.110 10 0 "[ . 1 . 2]" 1
1401 1 43 GLN QE 2 3 ASN H 3.830 . 3.830 3.550 2.625 4.131 0.301 1 0 "[ . 1 . 2]" 1
1402 1 29 LEU QD 2 8 VAL QG 3.610 . 3.610 2.331 1.596 3.211 . 0 0 "[ . 1 . 2]" 1
1403 1 29 LEU QD 2 8 VAL HB 3.710 . 3.710 2.927 1.610 3.966 0.256 15 0 "[ . 1 . 2]" 1
1404 1 27 LEU QD 1 100 ARG QD 4.690 . 4.690 3.442 1.804 4.641 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 343
_Distance_constraint_stats_list.Viol_total 978.395
_Distance_constraint_stats_list.Viol_max 2.815
_Distance_constraint_stats_list.Viol_rms 0.1691
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0360
_Distance_constraint_stats_list.Viol_average_violations_only 0.1426
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 12 VAL 0.067 0.039 10 0 "[ . 1 . 2]"
1 14 GLN 1.557 1.369 20 1 "[ . 1 . +]"
1 16 VAL 0.167 0.038 2 0 "[ . 1 . 2]"
1 18 ILE 4.750 2.815 11 1 "[ . 1+ . 2]"
1 21 LEU 6.501 1.433 2 2 "[ + - 1 . 2]"
1 23 GLN 0.761 0.148 15 0 "[ . 1 . 2]"
1 26 ASN 0.761 0.148 15 0 "[ . 1 . 2]"
1 28 ILE 6.501 1.433 2 2 "[ + - 1 . 2]"
1 29 LEU 12.606 2.095 3 6 "[ +** * 1 * . -2]"
1 30 GLY 0.437 0.102 2 0 "[ . 1 . 2]"
1 31 PHE 1.080 0.269 16 0 "[ . 1 . 2]"
1 33 ILE 1.471 0.231 17 0 "[ . 1 . 2]"
1 34 GLY 0.613 0.093 2 0 "[ . 1 . 2]"
1 35 GLY 3.001 0.329 19 0 "[ . 1 . 2]"
1 36 GLY 1.703 0.334 10 0 "[ . 1 . 2]"
1 54 GLY 1.703 0.334 10 0 "[ . 1 . 2]"
1 56 TYR 0.613 0.093 2 0 "[ . 1 . 2]"
1 57 VAL 8.515 0.387 4 0 "[ . 1 . 2]"
1 65 PRO 0.492 0.125 8 0 "[ . 1 . 2]"
1 66 ALA 0.992 0.125 19 0 "[ . 1 . 2]"
1 69 ALA 0.492 0.125 8 0 "[ . 1 . 2]"
1 70 GLY 0.992 0.125 19 0 "[ . 1 . 2]"
1 75 ASP 8.515 0.387 4 0 "[ . 1 . 2]"
1 80 VAL 0.152 0.048 11 0 "[ . 1 . 2]"
1 83 TRP 0.152 0.048 11 0 "[ . 1 . 2]"
1 90 HIS 0.576 0.100 14 0 "[ . 1 . 2]"
1 91 ASP 0.198 0.081 16 0 "[ . 1 . 2]"
1 92 GLN 2.106 0.189 12 0 "[ . 1 . 2]"
1 93 ALA 0.288 0.134 2 0 "[ . 1 . 2]"
1 94 ARG 0.886 0.198 16 0 "[ . 1 . 2]"
1 95 LYS 0.198 0.081 16 0 "[ . 1 . 2]"
1 96 ARG 2.106 0.189 12 0 "[ . 1 . 2]"
1 97 LEU 0.288 0.134 2 0 "[ . 1 . 2]"
1 98 THR 0.886 0.198 16 0 "[ . 1 . 2]"
1 105 VAL 4.750 2.815 11 1 "[ . 1+ . 2]"
1 107 LEU 0.167 0.038 2 0 "[ . 1 . 2]"
1 109 VAL 1.557 1.369 20 1 "[ . 1 . +]"
1 111 ARG 0.067 0.039 10 0 "[ . 1 . 2]"
2 4 LEU 3.001 0.329 19 0 "[ . 1 . 2]"
2 6 SER 2.047 0.231 17 0 "[ . 1 . 2]"
2 8 VAL 14.123 2.095 3 6 "[ +** * 1 * . -2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 VAL H 1 111 ARG O 2.300 . 2.300 1.863 1.672 2.339 0.039 10 0 "[ . 1 . 2]" 2
2 1 12 VAL O 1 111 ARG H 2.300 . 2.300 2.034 1.739 2.235 . 0 0 "[ . 1 . 2]" 2
3 1 14 GLN H 1 109 VAL O 2.300 . 2.300 2.157 1.757 3.669 1.369 20 1 "[ . 1 . +]" 2
4 1 14 GLN O 1 109 VAL H 2.300 . 2.300 2.013 1.718 2.344 0.044 20 0 "[ . 1 . 2]" 2
5 1 16 VAL H 1 107 LEU O 2.300 . 2.300 2.061 1.848 2.338 0.038 2 0 "[ . 1 . 2]" 2
6 1 16 VAL O 1 107 LEU H 2.300 . 2.300 1.833 1.667 2.241 0.033 8 0 "[ . 1 . 2]" 2
7 1 18 ILE H 1 105 VAL O 2.300 . 2.300 1.818 1.645 2.419 0.119 11 0 "[ . 1 . 2]" 2
8 1 18 ILE O 1 105 VAL H 2.300 . 2.300 1.853 1.629 5.115 2.815 11 1 "[ . 1+ . 2]" 2
9 1 21 LEU H 1 28 ILE O 2.300 . 2.300 2.512 1.916 3.733 1.433 2 2 "[ + - 1 . 2]" 2
10 1 21 LEU O 1 28 ILE H 2.300 . 2.300 2.041 1.595 2.409 0.109 2 0 "[ . 1 . 2]" 2
11 1 23 GLN H 1 26 ASN O 2.300 . 2.300 1.705 1.587 1.898 0.113 12 0 "[ . 1 . 2]" 2
12 1 23 GLN O 1 26 ASN H 2.300 . 2.300 2.150 1.957 2.448 0.148 15 0 "[ . 1 . 2]" 2
13 1 90 HIS O 1 94 ARG H 2.300 . 2.300 1.963 1.745 2.116 . 0 0 "[ . 1 . 2]" 2
14 1 91 ASP O 1 95 LYS H 2.300 . 2.300 2.094 1.685 2.381 0.081 16 0 "[ . 1 . 2]" 2
15 1 92 GLN O 1 96 ARG H 2.300 . 2.300 2.403 2.336 2.489 0.189 12 0 "[ . 1 . 2]" 2
16 1 93 ALA O 1 97 LEU H 2.300 . 2.300 2.122 1.869 2.434 0.134 2 0 "[ . 1 . 2]" 2
17 1 94 ARG O 1 98 THR H 2.300 . 2.300 2.221 1.832 2.498 0.198 16 0 "[ . 1 . 2]" 2
18 1 65 PRO O 1 69 ALA H 2.300 . 2.300 2.228 1.961 2.425 0.125 8 0 "[ . 1 . 2]" 2
19 1 66 ALA O 1 70 GLY H 2.300 . 2.300 2.336 2.186 2.425 0.125 19 0 "[ . 1 . 2]" 2
20 1 34 GLY H 1 56 TYR O 2.300 . 2.300 1.759 1.659 1.921 0.041 18 0 "[ . 1 . 2]" 2
21 1 34 GLY O 1 56 TYR H 2.300 . 2.300 2.169 1.783 2.393 0.093 2 0 "[ . 1 . 2]" 2
22 1 36 GLY H 1 54 GLY O 2.300 . 2.300 2.241 1.728 2.634 0.334 10 0 "[ . 1 . 2]" 2
23 1 57 VAL H 1 75 ASP O 2.300 . 2.300 1.726 1.628 1.956 0.072 6 0 "[ . 1 . 2]" 2
24 1 57 VAL O 1 75 ASP H 2.300 . 2.300 2.574 2.471 2.687 0.387 4 0 "[ . 1 . 2]" 2
25 1 80 VAL H 1 83 TRP O 2.300 . 2.300 2.098 1.731 2.348 0.048 11 0 "[ . 1 . 2]" 2
26 1 80 VAL O 1 83 TRP H 2.300 . 2.300 1.868 1.699 2.124 0.001 19 0 "[ . 1 . 2]" 2
27 1 80 VAL N 1 83 TRP O 3.300 2.400 3.300 3.063 2.700 3.314 0.014 11 0 "[ . 1 . 2]" 2
28 1 80 VAL O 1 83 TRP N 3.300 2.400 3.300 2.815 2.627 3.092 . 0 0 "[ . 1 . 2]" 2
29 1 12 VAL N 1 111 ARG O 3.300 2.400 3.300 2.781 2.560 3.256 . 0 0 "[ . 1 . 2]" 2
30 1 12 VAL O 1 111 ARG N 3.300 2.400 3.300 2.894 2.653 3.144 . 0 0 "[ . 1 . 2]" 2
31 1 14 GLN N 1 109 VAL O 3.300 2.400 3.300 3.044 2.719 3.360 0.060 20 0 "[ . 1 . 2]" 2
32 1 14 GLN O 1 109 VAL N 3.300 2.400 3.300 2.938 2.639 3.257 . 0 0 "[ . 1 . 2]" 2
33 1 16 VAL N 1 107 LEU O 3.300 2.400 3.300 2.996 2.800 3.249 . 0 0 "[ . 1 . 2]" 2
34 1 16 VAL O 1 107 LEU N 3.300 2.400 3.300 2.713 2.551 2.942 . 0 0 "[ . 1 . 2]" 2
35 1 18 ILE N 1 105 VAL O 3.300 2.400 3.300 2.684 2.567 3.039 . 0 0 "[ . 1 . 2]" 2
36 1 18 ILE O 1 105 VAL N 3.300 2.400 3.300 2.724 2.584 4.442 1.142 11 1 "[ . 1+ . 2]" 2
37 1 21 LEU N 1 28 ILE O 3.300 2.400 3.300 3.155 2.685 3.489 0.189 8 0 "[ . 1 . 2]" 2
38 1 21 LEU O 1 28 ILE N 3.300 2.400 3.300 2.923 2.565 3.303 0.003 2 0 "[ . 1 . 2]" 2
39 1 23 GLN N 1 26 ASN O 3.300 2.400 3.300 2.594 2.543 2.640 . 0 0 "[ . 1 . 2]" 2
40 1 23 GLN O 1 26 ASN N 3.300 2.400 3.300 2.973 2.853 3.188 . 0 0 "[ . 1 . 2]" 2
41 1 90 HIS O 1 94 ARG N 3.300 2.400 3.300 2.790 2.661 2.962 . 0 0 "[ . 1 . 2]" 2
42 1 91 ASP O 1 95 LYS N 3.300 2.400 3.300 2.969 2.607 3.288 . 0 0 "[ . 1 . 2]" 2
43 1 92 GLN O 1 96 ARG N 3.300 2.400 3.300 3.178 3.019 3.336 0.036 1 0 "[ . 1 . 2]" 2
44 1 93 ALA O 1 97 LEU N 3.300 2.400 3.300 3.012 2.763 3.305 0.005 15 0 "[ . 1 . 2]" 2
45 1 94 ARG O 1 98 THR N 3.300 2.400 3.300 3.110 2.729 3.372 0.072 16 0 "[ . 1 . 2]" 2
46 1 65 PRO O 1 69 ALA N 3.300 2.400 3.300 3.074 2.849 3.226 . 0 0 "[ . 1 . 2]" 2
47 1 66 ALA O 1 70 GLY N 3.300 2.400 3.300 2.986 2.883 3.057 . 0 0 "[ . 1 . 2]" 2
48 1 34 GLY N 1 56 TYR O 3.300 2.400 3.300 2.686 2.540 2.898 . 0 0 "[ . 1 . 2]" 2
49 1 34 GLY O 1 56 TYR N 3.300 2.400 3.300 3.119 2.757 3.332 0.032 14 0 "[ . 1 . 2]" 2
50 1 36 GLY N 1 54 GLY O 3.300 2.400 3.300 3.057 2.691 3.364 0.064 10 0 "[ . 1 . 2]" 2
51 1 57 VAL N 1 75 ASP O 3.300 2.400 3.300 2.617 2.565 2.675 . 0 0 "[ . 1 . 2]" 2
52 1 57 VAL O 1 75 ASP N 3.300 2.400 3.300 3.426 3.354 3.502 0.202 12 0 "[ . 1 . 2]" 2
53 1 33 ILE H 2 6 SER O 2.300 . 2.300 2.085 1.695 2.373 0.073 5 0 "[ . 1 . 2]" 2
54 1 33 ILE O 2 6 SER H 2.300 . 2.300 2.279 1.884 2.531 0.231 17 0 "[ . 1 . 2]" 2
55 1 33 ILE N 2 6 SER O 3.300 2.400 3.300 2.932 2.666 3.185 . 0 0 "[ . 1 . 2]" 2
56 1 33 ILE O 2 6 SER N 3.300 2.400 3.300 3.076 2.784 3.372 0.072 7 0 "[ . 1 . 2]" 2
57 1 35 GLY H 2 4 LEU O 2.300 . 2.300 2.056 1.706 2.361 0.061 8 0 "[ . 1 . 2]" 2
58 1 35 GLY O 2 4 LEU H 2.300 . 2.300 2.380 2.057 2.629 0.329 19 0 "[ . 1 . 2]" 2
59 1 35 GLY N 2 4 LEU O 3.300 2.400 3.300 2.925 2.655 3.248 . 0 0 "[ . 1 . 2]" 2
60 1 35 GLY O 2 4 LEU N 3.300 2.400 3.300 3.254 2.972 3.397 0.097 18 0 "[ . 1 . 2]" 2
61 1 31 PHE O 2 8 VAL H 2.300 . 2.300 2.110 1.680 2.569 0.269 16 0 "[ . 1 . 2]" 2
62 1 31 PHE O 2 8 VAL N 3.300 2.400 3.300 2.986 2.638 3.397 0.097 16 0 "[ . 1 . 2]" 2
63 1 29 LEU H 2 8 VAL O 2.300 . 2.300 2.679 1.628 4.395 2.095 3 6 "[ +** * 1 * . -2]" 2
64 1 30 GLY H 2 8 VAL OXT 2.300 . 2.300 2.028 1.664 2.402 0.102 2 0 "[ . 1 . 2]" 2
65 1 29 LEU N 2 8 VAL O 3.300 2.400 3.300 3.005 2.571 3.480 0.180 5 0 "[ . 1 . 2]" 2
66 1 30 GLY N 2 8 VAL OXT 3.300 2.400 3.300 2.824 2.599 3.257 . 0 0 "[ . 1 . 2]" 2
67 1 90 HIS HE2 2 6 SER OG 3.300 . 3.300 2.667 1.702 3.400 0.100 14 0 "[ . 1 . 2]" 2
68 1 90 HIS NE2 2 6 SER OG 4.300 2.400 4.300 3.172 2.597 3.844 . 0 0 "[ . 1 . 2]" 2
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