NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637954 |
6d74   |
30458 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6d74
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 1627
_Distance_constraint_stats_list.Viol_count 3982
_Distance_constraint_stats_list.Viol_total 23307.039
_Distance_constraint_stats_list.Viol_max 1.252
_Distance_constraint_stats_list.Viol_rms 0.1243
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0358
_Distance_constraint_stats_list.Viol_average_violations_only 0.2927
_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 2 MET 25.396 0.793 3 14 "[* +******** -* * *]"
1 3 GLU 5.533 0.554 3 1 "[ + . 1 . 2]"
1 4 ASN 12.321 0.793 3 9 "[* + . ***** .- * 2]"
1 5 LEU 33.423 1.188 16 19 "[ *************-+****]"
1 6 LYS 14.740 0.547 6 6 "[ .+ *1 * **-2]"
1 7 HIS 2.723 0.586 18 2 "[ . 1 .- + 2]"
1 8 ILE 9.114 0.650 6 9 "[* *+* ** -.* * 2]"
1 9 ILE 27.496 1.188 16 19 "[ **************+**-*]"
1 10 THR 18.199 0.525 1 1 "[+ . 1 . 2]"
1 11 LEU 12.001 0.702 5 2 "[ + 1 . - 2]"
1 12 GLY 9.924 0.590 2 6 "[ + *- *1 .* * 2]"
1 13 GLN 30.211 0.681 6 11 "[* .+****** -* * 2]"
1 14 VAL 10.340 0.618 4 2 "[- +. 1 . 2]"
1 15 ILE 3.477 0.412 14 0 "[ . 1 . 2]"
1 16 HIS 18.739 0.566 4 3 "[*- +. 1 . 2]"
1 17 LYS 17.470 0.618 4 6 "[* +. -*1 *.* 2]"
1 18 ARG 9.019 0.600 9 1 "[ . +1 . 2]"
1 19 CYS 13.880 0.591 10 7 "[ ** .* + * . *-]"
1 20 GLU 8.113 0.537 14 1 "[ . 1 +. 2]"
1 21 GLU 14.350 0.606 5 5 "[- * + 1* .* 2]"
1 22 MET 22.039 0.654 12 17 "[** ********+**. **-*]"
1 23 LYS 15.162 0.810 18 14 "[** ** ** 1 ***- *+**]"
1 24 TYR 33.396 0.810 18 12 "[* *. ** 1 ***- *+**]"
1 25 CYS 3.098 0.470 12 0 "[ . 1 . 2]"
1 26 LYS 1.179 0.470 12 0 "[ . 1 . 2]"
1 27 LYS 0.152 0.100 10 0 "[ . 1 . 2]"
1 28 GLN 3.490 0.561 14 2 "[ . - +. 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 10.408 0.463 13 0 "[ . 1 . 2]"
1 31 ARG 4.187 0.632 13 2 "[ . - 1 + . 2]"
1 32 LEU 32.270 0.547 16 6 "[ **- 1* .+ *]"
1 33 GLY 0.017 0.012 2 0 "[ . 1 . 2]"
1 34 HIS 9.016 0.475 6 0 "[ . 1 . 2]"
1 35 ARG 11.346 0.639 14 5 "[ . - 1 **+* 2]"
1 36 VAL 45.421 1.055 10 20 [****-****+**********]
1 37 LEU 20.105 0.566 4 2 "[ - +. 1 . 2]"
1 38 GLY 0.565 0.170 1 0 "[ . 1 . 2]"
1 39 LEU 11.771 0.634 17 2 "[ . 1 . + -2]"
1 40 ILE 35.443 1.055 10 20 [*********+****-*****]
1 41 LYS 13.658 0.666 16 10 "[*** . * 1** -+* *2]"
1 42 PRO 6.812 0.574 19 4 "[-* . * 1 . +2]"
1 43 LEU 20.588 1.146 1 15 "[+ * *********-.*** 2]"
1 44 GLU 7.601 0.616 9 5 "[ - . * +* * 2]"
1 45 MET 10.588 0.666 16 9 "[*** . * 1*- .+* *2]"
1 46 LEU 12.777 0.566 8 5 "[ . +*1 * - *]"
1 47 GLN 12.208 0.616 9 5 "[ - . * +* * 2]"
1 48 ASP 6.188 0.763 12 3 "[ .- 1 + . *2]"
1 49 GLN 8.209 0.763 12 3 "[ .- 1 + . *2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 14.503 0.724 12 11 "[* **-** 1 +* .** *]"
1 54 VAL 18.982 0.724 12 12 "[* **-** *1 +* .** *]"
1 55 PRO 14.368 0.665 7 4 "[ * . + *1 - . 2]"
1 56 SER 4.015 0.453 6 0 "[ . 1 . 2]"
1 57 GLU 0.011 0.011 16 0 "[ . 1 . 2]"
1 58 LYS 9.588 0.717 4 7 "[ +* -* . * **]"
1 59 LEU 29.424 0.717 4 10 "[- +* ** * * * **]"
1 60 THR 2.090 0.312 16 0 "[ . 1 . 2]"
1 61 THR 13.245 0.544 12 4 "[* . 1 + *. - 2]"
1 62 ALA 3.441 0.985 14 1 "[ . 1 +. 2]"
1 63 MET 19.842 0.985 14 10 "[* *** ** +** * 2]"
1 64 ASN 7.329 0.544 12 4 "[* . 1 + *. - 2]"
1 65 ARG 2.787 0.498 10 0 "[ . 1 . 2]"
1 66 PHE 51.706 1.187 7 20 [******+*********-***]
1 67 LYS 5.605 0.707 8 6 "[* . + 1** *. - 2]"
1 68 ALA 1.025 0.210 7 0 "[ . 1 . 2]"
1 69 ALA 4.012 0.348 16 0 "[ . 1 . 2]"
1 70 LEU 17.697 0.702 5 8 "[* +- ** *** 2]"
1 71 GLU 8.122 0.707 8 6 "[* . + 1** *. - 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 16.891 0.650 9 4 "[ . +-* . *]"
1 74 ASN 7.145 0.412 14 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 2.189 0.526 4 1 "[ +. 1 . 2]"
1 77 ILE 70.811 1.252 6 20 [**-**+**************]
1 78 GLU 0.039 0.039 9 0 "[ . 1 . 2]"
1 79 LYS 9.082 0.526 4 1 "[ +. 1 . 2]"
1 80 PHE 27.923 0.619 7 12 "[* ** + ** *-** * *]"
1 81 SER 17.864 0.592 1 4 "[+ * . 1* .* 2]"
1 82 ASN 2.015 0.372 19 0 "[ . 1 . 2]"
1 83 ARG 5.901 0.606 5 2 "[ + 1 .- 2]"
1 84 SER 11.252 0.785 8 13 "[***** +*-* ** **2]"
1 85 ASN 2.015 0.372 19 0 "[ . 1 . 2]"
1 86 ILE 64.354 1.219 3 20 [**+***************-*]
1 87 CYS 26.564 0.785 8 14 "[***** +*** *****2]"
1 88 ARG 22.142 0.664 6 9 "[* **+* *1* . * -2]"
1 89 PHE 43.988 0.619 7 15 "[* ***+*** **** * -*]"
1 90 LEU 57.308 1.219 3 20 [**+**************-**]
1 91 THR 12.577 0.523 7 3 "[ . + *1 . -2]"
1 92 ALA 19.665 0.672 19 13 "[-* **** 1** ** **+2]"
1 93 SER 0.340 0.226 14 0 "[ . 1 . 2]"
1 94 GLN 8.537 0.672 19 11 "[-* **** 1 * ** *+2]"
1 95 ASP 0.421 0.307 15 0 "[ . 1 . 2]"
1 97 ILE 16.542 0.755 13 7 "[ *. * * + .- **2]"
1 98 LEU 19.446 0.797 10 16 "[***** *- +***** * **]"
1 99 PHE 79.213 1.252 6 20 [*****+*-************]
1 100 LYS 8.601 0.638 19 1 "[ . 1 . +2]"
1 101 ASP 3.500 0.341 17 0 "[ . 1 . 2]"
1 102 VAL 19.996 0.648 13 8 "[* * . * * *+-* 2]"
1 103 ASN 13.037 0.639 14 10 "[* *. ***-+* ** 2]"
1 104 ARG 12.576 0.775 1 7 "[+ .** -* . **]"
1 105 LYS 13.840 0.775 1 8 "[+ -.** ** . **]"
1 106 LEU 58.321 1.187 7 19 "[******+*********-* *]"
1 107 SER 3.105 0.629 4 3 "[ +. 1* . - 2]"
1 108 ASP 3.579 0.459 6 0 "[ . 1 . 2]"
1 109 VAL 14.966 0.601 2 6 "[*+ *. *1 .* -2]"
1 110 TRP 16.368 0.626 20 6 "[-** . * 1 * . +]"
1 111 LYS 14.147 0.640 2 3 "[ + . 1 . * *]"
1 112 GLU 7.862 0.539 2 1 "[ + . 1 . 2]"
1 113 LEU 16.590 0.604 7 5 "[ * . + *1 * - 2]"
1 114 SER 21.931 0.805 4 16 "[-**+* ***1***** ***]"
1 115 LEU 6.546 0.454 3 0 "[ . 1 . 2]"
1 116 LEU 21.442 0.604 7 4 "[ . + *1 * - 2]"
1 117 LEU 28.375 0.726 15 7 "[- . ***1 + * *2]"
1 118 GLN 10.481 0.726 15 9 "[ -. **1 * + ****]"
1 119 VAL 2.522 0.557 7 2 "[ . + - . 2]"
1 120 GLU 11.766 0.557 7 3 "[ . + * - . 2]"
1 121 GLN 13.465 0.579 2 4 "[ + . 1 ** . - 2]"
1 122 ARG 5.093 0.547 17 1 "[ . 1 . + 2]"
1 123 MET 67.492 1.146 1 20 [+*****************-*]
1 124 PRO 30.288 0.721 17 20 [****************+*-*]
1 125 VAL 39.473 0.721 17 18 "[*** *** -*******+***]"
1 126 SER 3.054 0.550 11 2 "[ . 1+ . - 2]"
1 127 PRO 8.667 0.581 2 5 "[*+ . -1 * . *]"
1 128 ILE 27.782 0.634 17 13 "[ * * * *-*** .*+***]"
1 129 SER 4.781 0.592 7 1 "[ . + 1 . 2]"
1 130 GLN 4.343 0.776 7 5 "[ *-. +* 1 . *]"
1 131 GLY 10.104 0.805 15 9 "[ *-. ***1 * *+ *]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 TRP 25.071 0.805 15 14 "[ **** *-****+* * *]"
1 135 ALA 20.370 0.596 11 9 "[ * ****+ .-* *]"
1 136 GLN 4.751 0.519 2 1 "[ + . 1 . 2]"
1 137 GLU 1.071 0.582 1 1 "[+ . 1 . 2]"
1 138 ASP 21.685 0.755 13 9 "[ ** * *** + .- *]"
1 139 GLN 18.800 0.779 5 12 "[* * +* *** * * - **]"
1 140 GLN 0.649 0.293 6 0 "[ . 1 . 2]"
1 141 ASP 7.987 0.779 5 11 "[* * +* *** - * **]"
1 142 ALA 6.414 0.537 7 1 "[ . + 1 . 2]"
1 143 ASP 2.039 0.660 8 2 "[ . -+ 1 . 2]"
1 144 GLU 3.419 0.660 8 2 "[ . -+ 1 . 2]"
1 145 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ARG 8.934 0.455 4 0 "[ . 1 . 2]"
1 147 ARG 2.621 0.455 4 0 "[ . 1 . 2]"
1 148 ALA 6.713 0.571 4 3 "[ +. - 1 . * 2]"
1 149 PHE 50.180 1.171 19 20 [*****-************+*]
1 150 GLN 3.297 0.501 8 1 "[ . + 1 . 2]"
1 151 MET 1.958 0.482 14 0 "[ . 1 . 2]"
1 152 LEU 19.538 0.571 4 7 "[* +**- 1 . **2]"
1 153 ARG 14.551 0.659 20 5 "[ .* 1 * * - +]"
1 154 ARG 6.079 0.659 20 4 "[ .* 1 * . - +]"
1 155 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 ASN 7.324 0.694 20 4 "[* .* 1 . - +]"
1 157 GLU 9.061 0.694 20 2 "[ .- 1 . +]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 98 LEU H 1 99 PHE QD . . 5.220 4.042 3.468 5.094 . 0 0 "[ . 1 . 2]" 1
2 1 97 ILE HA 1 98 LEU H . . 3.290 2.244 2.088 2.440 . 0 0 "[ . 1 . 2]" 1
3 1 98 LEU H 1 142 ALA MB . . 5.120 3.591 2.951 4.496 . 0 0 "[ . 1 . 2]" 1
4 1 97 ILE MG 1 98 LEU H . . 4.290 2.503 2.060 2.975 . 0 0 "[ . 1 . 2]" 1
5 1 98 LEU H 1 99 PHE H . . 4.590 2.725 2.372 3.118 . 0 0 "[ . 1 . 2]" 1
6 1 98 LEU H 1 100 LYS H . . 5.100 4.398 4.203 4.672 . 0 0 "[ . 1 . 2]" 1
7 1 110 TRP HE1 1 114 SER HB3 . . 5.470 4.877 3.830 5.834 0.364 20 0 "[ . 1 . 2]" 1
8 1 157 GLU H 1 157 GLU QB . . 3.080 3.053 2.243 3.457 0.377 10 0 "[ . 1 . 2]" 1
9 1 156 ASN H 1 157 GLU H . . 4.250 3.845 2.448 4.594 0.344 15 0 "[ . 1 . 2]" 1
10 1 156 ASN HA 1 157 GLU H . . 3.110 2.541 2.126 3.563 0.453 2 0 "[ . 1 . 2]" 1
11 1 157 GLU H 1 157 GLU QG . . 3.570 2.607 1.968 4.011 0.441 18 0 "[ . 1 . 2]" 1
12 1 62 ALA H 1 63 MET H . . 3.420 2.683 2.505 2.761 . 0 0 "[ . 1 . 2]" 1
13 1 62 ALA H 1 63 MET QG . . 4.480 4.612 4.366 5.465 0.985 14 1 "[ . 1 +. 2]" 1
14 1 62 ALA H 1 62 ALA MB . . 3.090 2.249 2.232 2.271 . 0 0 "[ . 1 . 2]" 1
15 1 62 ALA H 1 65 ARG QD . . 5.500 4.509 3.800 5.079 . 0 0 "[ . 1 . 2]" 1
16 1 53 SER HA 1 54 VAL H . . 3.080 2.508 2.135 3.539 0.459 11 0 "[ . 1 . 2]" 1
17 1 54 VAL H 1 54 VAL HB . . 3.230 2.858 2.549 3.660 0.430 14 0 "[ . 1 . 2]" 1
18 1 54 VAL H 1 54 VAL QG . . 3.310 2.464 2.103 3.055 . 0 0 "[ . 1 . 2]" 1
19 1 73 ALA MB 1 76 GLU H . . 5.470 4.594 4.425 4.856 . 0 0 "[ . 1 . 2]" 1
20 1 73 ALA HA 1 76 GLU H . . 3.520 3.467 3.187 3.878 0.358 18 0 "[ . 1 . 2]" 1
21 1 76 GLU H 1 76 GLU QG . . 3.170 2.429 2.221 2.605 . 0 0 "[ . 1 . 2]" 1
22 1 66 PHE H 1 67 LYS H . . 3.760 2.631 2.460 2.803 . 0 0 "[ . 1 . 2]" 1
23 1 66 PHE H 1 68 ALA H . . 4.500 4.018 3.797 4.189 . 0 0 "[ . 1 . 2]" 1
24 1 66 PHE H 1 109 VAL MG1 . . 4.430 2.603 2.410 2.954 . 0 0 "[ . 1 . 2]" 1
25 1 59 LEU H 1 59 LEU HB3 . . 3.640 2.888 2.344 3.641 0.001 15 0 "[ . 1 . 2]" 1
26 1 59 LEU H 1 60 THR H . . 4.060 2.619 2.446 2.805 . 0 0 "[ . 1 . 2]" 1
27 1 64 ASN HB3 1 65 ARG H . . 4.280 3.570 3.349 3.797 . 0 0 "[ . 1 . 2]" 1
28 1 65 ARG H 1 68 ALA MB . . 4.600 4.623 4.456 4.810 0.210 7 0 "[ . 1 . 2]" 1
29 1 65 ARG H 1 65 ARG QD . . 3.920 3.697 2.122 4.217 0.297 8 0 "[ . 1 . 2]" 1
30 1 64 ASN HB2 1 65 ARG H . . 4.280 2.694 2.553 2.923 . 0 0 "[ . 1 . 2]" 1
31 1 134 TRP H 1 134 TRP QB . . 3.790 2.217 2.065 2.501 . 0 0 "[ . 1 . 2]" 1
32 1 59 LEU H 1 59 LEU HB2 . . 3.640 2.394 2.081 2.796 . 0 0 "[ . 1 . 2]" 1
33 1 10 THR MG 1 14 VAL H . . 4.540 4.142 4.020 4.316 . 0 0 "[ . 1 . 2]" 1
34 1 14 VAL H 1 14 VAL HB . . 3.140 2.496 2.361 2.613 . 0 0 "[ . 1 . 2]" 1
35 1 13 GLN H 1 14 VAL H . . 3.390 2.689 2.556 2.846 . 0 0 "[ . 1 . 2]" 1
36 1 40 ILE MG 1 41 LYS H . . 5.170 4.115 4.061 4.161 . 0 0 "[ . 1 . 2]" 1
37 1 41 LYS H 1 42 PRO HD2 . . 3.570 2.627 2.314 3.408 . 0 0 "[ . 1 . 2]" 1
38 1 41 LYS H 1 42 PRO HD3 . . 3.570 3.292 2.880 3.656 0.086 11 0 "[ . 1 . 2]" 1
39 1 41 LYS H 1 41 LYS QB . . 3.150 2.355 2.223 2.561 . 0 0 "[ . 1 . 2]" 1
40 1 99 PHE HA 1 102 VAL H . . 4.410 3.830 3.111 4.367 . 0 0 "[ . 1 . 2]" 1
41 1 102 VAL H 1 104 ARG H . . 4.720 3.986 3.790 4.139 . 0 0 "[ . 1 . 2]" 1
42 1 99 PHE QD 1 102 VAL H . . 5.030 5.168 4.292 5.678 0.648 13 6 "[ * . * 1 *+-* 2]" 1
43 1 102 VAL H 1 102 VAL HB . . 3.190 2.555 2.475 2.638 . 0 0 "[ . 1 . 2]" 1
44 1 102 VAL H 1 102 VAL MG1 . . 3.920 3.791 3.751 3.837 . 0 0 "[ . 1 . 2]" 1
45 1 100 LYS H 1 102 VAL H . . 4.660 4.418 3.784 4.886 0.226 15 0 "[ . 1 . 2]" 1
46 1 69 ALA MB 1 72 GLU H . . 4.900 4.637 4.493 4.817 . 0 0 "[ . 1 . 2]" 1
47 1 80 PHE QD 1 86 ILE H . . 4.880 3.907 3.513 4.432 . 0 0 "[ . 1 . 2]" 1
48 1 85 ASN HB3 1 86 ILE H . . 4.440 2.678 2.488 3.669 . 0 0 "[ . 1 . 2]" 1
49 1 89 PHE HA 1 92 ALA H . . 3.650 3.597 3.356 3.836 0.186 10 0 "[ . 1 . 2]" 1
50 1 92 ALA H 1 93 SER QB . . 5.090 4.230 3.807 4.969 . 0 0 "[ . 1 . 2]" 1
51 1 90 LEU H 1 92 ALA H . . 5.440 3.811 3.574 4.039 . 0 0 "[ . 1 . 2]" 1
52 1 109 VAL MG1 1 110 TRP H . . 4.600 3.624 3.315 3.938 . 0 0 "[ . 1 . 2]" 1
53 1 107 SER HA 1 110 TRP H . . 4.100 3.805 3.511 4.063 . 0 0 "[ . 1 . 2]" 1
54 1 107 SER HB2 1 108 ASP H . . 4.100 3.600 2.340 4.052 . 0 0 "[ . 1 . 2]" 1
55 1 108 ASP H 1 108 ASP HB2 . . 3.400 2.539 2.346 2.695 . 0 0 "[ . 1 . 2]" 1
56 1 108 ASP H 1 108 ASP HB3 . . 3.400 2.670 2.404 3.621 0.221 1 0 "[ . 1 . 2]" 1
57 1 72 GLU H 1 72 GLU QB . . 3.130 2.460 2.378 2.598 . 0 0 "[ . 1 . 2]" 1
58 1 11 LEU H 1 14 VAL HB . . 5.140 5.082 4.760 5.326 0.186 20 0 "[ . 1 . 2]" 1
59 1 10 THR HB 1 11 LEU H . . 3.260 2.493 2.279 2.718 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE HA 1 11 LEU H . . 4.210 3.964 3.574 4.553 0.343 5 0 "[ . 1 . 2]" 1
61 1 10 THR MG 1 11 LEU H . . 4.140 3.344 3.122 3.539 . 0 0 "[ . 1 . 2]" 1
62 1 66 PHE QD 1 69 ALA H . . 5.110 5.172 4.684 5.458 0.348 16 0 "[ . 1 . 2]" 1
63 1 66 PHE HA 1 69 ALA H . . 3.990 3.604 3.437 3.961 . 0 0 "[ . 1 . 2]" 1
64 1 69 ALA H 1 69 ALA MB . . 3.140 2.229 2.197 2.262 . 0 0 "[ . 1 . 2]" 1
65 1 85 ASN HB2 1 86 ILE H . . 4.440 3.850 2.651 4.042 . 0 0 "[ . 1 . 2]" 1
66 1 86 ILE H 1 86 ILE HB . . 3.380 2.738 2.641 2.813 . 0 0 "[ . 1 . 2]" 1
67 1 32 LEU HA 1 35 ARG H . . 4.330 3.787 3.507 4.075 . 0 0 "[ . 1 . 2]" 1
68 1 35 ARG H 1 35 ARG HD2 . . 5.020 4.077 3.560 4.921 . 0 0 "[ . 1 . 2]" 1
69 1 35 ARG H 1 35 ARG HD3 . . 5.020 4.800 4.608 5.110 0.090 10 0 "[ . 1 . 2]" 1
70 1 108 ASP H 1 109 VAL HB . . 4.880 4.885 4.576 5.066 0.186 20 0 "[ . 1 . 2]" 1
71 1 152 LEU HA 1 153 ARG H . . 3.200 2.341 2.114 3.550 0.350 20 0 "[ . 1 . 2]" 1
72 1 152 LEU H 1 153 ARG H . . 4.740 4.113 3.273 4.606 . 0 0 "[ . 1 . 2]" 1
73 1 153 ARG H 1 153 ARG QD . . 5.360 4.360 1.838 5.441 0.081 4 0 "[ . 1 . 2]" 1
74 1 141 ASP H 1 142 ALA H . . 3.850 2.666 2.381 2.888 . 0 0 "[ . 1 . 2]" 1
75 1 140 GLN QB 1 141 ASP H . . 3.040 2.498 2.161 2.895 . 0 0 "[ . 1 . 2]" 1
76 1 140 GLN H 1 141 ASP H . . 3.200 2.645 2.432 2.911 . 0 0 "[ . 1 . 2]" 1
77 1 138 ASP HA 1 141 ASP H . . 4.510 3.942 3.484 4.540 0.030 11 0 "[ . 1 . 2]" 1
78 1 141 ASP H 1 142 ALA MB . . 4.840 4.359 4.161 4.552 . 0 0 "[ . 1 . 2]" 1
79 1 139 GLN H 1 141 ASP H . . 4.700 4.232 3.826 4.924 0.224 16 0 "[ . 1 . 2]" 1
80 1 145 ASP H 1 146 ARG H . . 3.510 2.553 2.334 2.794 . 0 0 "[ . 1 . 2]" 1
81 1 144 GLU H 1 146 ARG H . . 4.650 4.389 4.092 4.723 0.073 13 0 "[ . 1 . 2]" 1
82 1 146 ARG H 1 147 ARG H . . 3.470 2.642 2.506 2.851 . 0 0 "[ . 1 . 2]" 1
83 1 143 ASP HA 1 146 ARG H . . 4.270 3.930 3.384 4.562 0.292 18 0 "[ . 1 . 2]" 1
84 1 146 ARG H 1 146 ARG QB . . 3.160 2.252 2.126 2.561 . 0 0 "[ . 1 . 2]" 1
85 1 142 ALA MB 1 146 ARG H . . 5.130 4.290 3.968 4.778 . 0 0 "[ . 1 . 2]" 1
86 1 76 GLU HA 1 79 LYS H . . 4.010 3.515 3.023 3.757 . 0 0 "[ . 1 . 2]" 1
87 1 78 GLU QB 1 79 LYS H . . 3.330 2.589 2.413 2.793 . 0 0 "[ . 1 . 2]" 1
88 1 114 SER HB2 1 115 LEU H . . 4.450 3.888 3.705 4.026 . 0 0 "[ . 1 . 2]" 1
89 1 115 LEU H 1 115 LEU QB . . 3.670 2.425 2.360 2.495 . 0 0 "[ . 1 . 2]" 1
90 1 114 SER HB3 1 115 LEU H . . 4.450 3.282 2.614 4.049 . 0 0 "[ . 1 . 2]" 1
91 1 146 ARG H 1 146 ARG QG . . 3.650 3.849 2.267 4.092 0.442 8 0 "[ . 1 . 2]" 1
92 1 125 VAL HB 1 126 SER H . . 4.460 4.214 3.042 4.497 0.037 12 0 "[ . 1 . 2]" 1
93 1 125 VAL HA 1 126 SER H . . 3.210 2.208 2.075 2.620 . 0 0 "[ . 1 . 2]" 1
94 1 126 SER H 1 126 SER QB . . 3.650 2.832 2.492 2.976 . 0 0 "[ . 1 . 2]" 1
95 1 125 VAL QG 1 126 SER H . . 4.010 3.354 2.322 3.809 . 0 0 "[ . 1 . 2]" 1
96 1 101 ASP H 1 103 ASN H . . 4.820 4.337 4.042 4.622 . 0 0 "[ . 1 . 2]" 1
97 1 103 ASN H 1 103 ASN HB3 . . 4.090 2.530 2.312 2.710 . 0 0 "[ . 1 . 2]" 1
98 1 102 VAL HB 1 103 ASN H . . 3.550 2.450 2.151 2.770 . 0 0 "[ . 1 . 2]" 1
99 1 102 VAL MG1 1 103 ASN H . . 3.990 3.320 2.929 3.672 . 0 0 "[ . 1 . 2]" 1
100 1 142 ALA HA 1 145 ASP H . . 4.610 3.311 2.879 4.049 . 0 0 "[ . 1 . 2]" 1
101 1 142 ALA MB 1 145 ASP H . . 5.020 4.539 4.283 5.020 . 0 0 "[ . 1 . 2]" 1
102 1 144 GLU H 1 145 ASP H . . 3.190 2.689 2.577 2.891 . 0 0 "[ . 1 . 2]" 1
103 1 15 ILE H 1 16 HIS H . . 3.880 2.752 2.662 2.876 . 0 0 "[ . 1 . 2]" 1
104 1 14 VAL HB 1 15 ILE H . . 3.510 2.911 2.796 3.090 . 0 0 "[ . 1 . 2]" 1
105 1 15 ILE H 1 15 ILE HB . . 3.260 2.331 2.216 2.434 . 0 0 "[ . 1 . 2]" 1
106 1 134 TRP HA 1 137 GLU H . . 4.310 3.474 2.854 3.931 . 0 0 "[ . 1 . 2]" 1
107 1 27 LYS H 1 28 GLN H . . 3.150 2.549 2.383 2.701 . 0 0 "[ . 1 . 2]" 1
108 1 26 LYS QB 1 27 LYS H . . 3.460 2.678 2.098 3.560 0.100 10 0 "[ . 1 . 2]" 1
109 1 142 ALA H 1 143 ASP H . . 3.390 2.619 2.463 2.840 . 0 0 "[ . 1 . 2]" 1
110 1 137 GLU H 1 137 GLU HG2 . . 4.200 3.113 2.100 4.446 0.246 1 0 "[ . 1 . 2]" 1
111 1 137 GLU H 1 137 GLU HB3 . . 3.810 3.453 2.547 3.648 . 0 0 "[ . 1 . 2]" 1
112 1 101 ASP HA 1 104 ARG H . . 4.220 3.716 3.361 4.154 . 0 0 "[ . 1 . 2]" 1
113 1 104 ARG H 1 104 ARG HB2 . . 3.350 2.572 2.365 2.950 . 0 0 "[ . 1 . 2]" 1
114 1 28 GLN H 1 28 GLN HE21 . . 5.240 3.106 2.254 3.607 . 0 0 "[ . 1 . 2]" 1
115 1 28 GLN H 1 30 ARG H . . 5.010 4.171 3.826 4.458 . 0 0 "[ . 1 . 2]" 1
116 1 23 LYS H 1 23 LYS QE . . 4.830 4.583 3.080 5.544 0.714 8 4 "[ - * + 1 . * 2]" 1
117 1 23 LYS H 1 24 TYR H . . 4.050 2.453 2.277 2.586 . 0 0 "[ . 1 . 2]" 1
118 1 22 MET H 1 23 LYS H . . 4.950 4.054 3.901 4.281 . 0 0 "[ . 1 . 2]" 1
119 1 69 ALA MB 1 71 GLU H . . 4.470 4.503 4.369 4.635 0.165 13 0 "[ . 1 . 2]" 1
120 1 134 TRP QB 1 135 ALA H . . 3.410 2.908 2.265 3.209 . 0 0 "[ . 1 . 2]" 1
121 1 135 ALA H 1 135 ALA MB . . 3.170 2.249 2.208 2.302 . 0 0 "[ . 1 . 2]" 1
122 1 34 HIS H 1 35 ARG H . . 3.190 2.697 2.574 2.777 . 0 0 "[ . 1 . 2]" 1
123 1 30 ARG HA 1 34 HIS H . . 3.680 3.839 3.238 4.143 0.463 13 0 "[ . 1 . 2]" 1
124 1 34 HIS H 1 34 HIS HB2 . . 3.560 2.590 2.262 2.734 . 0 0 "[ . 1 . 2]" 1
125 1 145 ASP H 1 148 ALA H . . 4.840 4.447 4.253 4.749 . 0 0 "[ . 1 . 2]" 1
126 1 39 LEU H 1 39 LEU QD . . 3.690 3.256 2.566 3.850 0.160 17 0 "[ . 1 . 2]" 1
127 1 32 LEU H 1 33 GLY H . . 3.780 2.722 2.592 2.935 . 0 0 "[ . 1 . 2]" 1
128 1 31 ARG H 1 32 LEU H . . 3.980 2.653 2.338 2.966 . 0 0 "[ . 1 . 2]" 1
129 1 32 LEU H 1 32 LEU MD2 . . 4.480 4.289 3.809 4.409 . 0 0 "[ . 1 . 2]" 1
130 1 19 CYS HA 1 22 MET H . . 4.110 3.921 3.684 4.252 0.142 8 0 "[ . 1 . 2]" 1
131 1 22 MET H 1 22 MET ME . . 4.530 2.991 2.090 3.867 . 0 0 "[ . 1 . 2]" 1
132 1 28 GLN H 1 28 GLN HE22 . . 5.240 4.687 3.762 5.221 . 0 0 "[ . 1 . 2]" 1
133 1 77 ILE H 1 78 GLU H . . 3.890 2.689 2.522 2.809 . 0 0 "[ . 1 . 2]" 1
134 1 77 ILE H 1 77 ILE HG12 . . 4.300 1.802 1.753 1.898 . 0 0 "[ . 1 . 2]" 1
135 1 30 ARG QB 1 34 HIS H . . 4.440 4.637 4.260 4.896 0.456 15 0 "[ . 1 . 2]" 1
136 1 147 ARG QB 1 148 ALA H . . 3.210 2.634 2.409 2.919 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE H 1 8 ILE HB . . 3.510 2.464 2.395 2.768 . 0 0 "[ . 1 . 2]" 1
138 1 8 ILE H 1 8 ILE MG . . 3.830 3.801 3.754 3.855 0.025 1 0 "[ . 1 . 2]" 1
139 1 8 ILE H 1 8 ILE HG13 . . 4.290 2.231 1.891 2.427 . 0 0 "[ . 1 . 2]" 1
140 1 89 PHE H 1 90 LEU H . . 3.550 2.453 2.379 2.525 . 0 0 "[ . 1 . 2]" 1
141 1 88 ARG QB 1 89 PHE H . . 3.340 2.439 2.272 2.602 . 0 0 "[ . 1 . 2]" 1
142 1 89 PHE H 1 89 PHE HB2 . . 3.370 3.571 3.488 3.652 0.282 6 0 "[ . 1 . 2]" 1
143 1 89 PHE H 1 89 PHE HB3 . . 3.370 2.309 2.227 2.406 . 0 0 "[ . 1 . 2]" 1
144 1 86 ILE MG 1 89 PHE H . . 5.500 4.869 4.733 4.993 . 0 0 "[ . 1 . 2]" 1
145 1 67 LYS H 1 67 LYS HB3 . . 3.590 2.463 2.257 2.609 . 0 0 "[ . 1 . 2]" 1
146 1 149 PHE H 1 149 PHE QD . . 4.830 4.217 3.914 4.278 . 0 0 "[ . 1 . 2]" 1
147 1 149 PHE H 1 149 PHE QB . . 3.390 2.247 2.148 2.313 . 0 0 "[ . 1 . 2]" 1
148 1 148 ALA MB 1 149 PHE H . . 3.570 2.886 2.664 3.043 . 0 0 "[ . 1 . 2]" 1
149 1 125 VAL H 1 125 VAL HB . . 3.280 3.033 2.487 3.731 0.451 15 0 "[ . 1 . 2]" 1
150 1 125 VAL H 1 125 VAL QG . . 3.910 2.194 1.916 2.685 . 0 0 "[ . 1 . 2]" 1
151 1 123 MET H 1 123 MET HB3 . . 3.730 3.140 2.411 3.708 . 0 0 "[ . 1 . 2]" 1
152 1 118 GLN HA 1 123 MET H . . 3.270 2.633 2.027 3.412 0.142 14 0 "[ . 1 . 2]" 1
153 1 122 ARG HA 1 123 MET H . . 3.290 2.857 2.380 3.134 . 0 0 "[ . 1 . 2]" 1
154 1 123 MET H 1 123 MET QG . . 3.780 3.098 2.050 4.034 0.254 1 0 "[ . 1 . 2]" 1
155 1 123 MET H 1 123 MET HB2 . . 3.730 2.583 2.349 3.670 . 0 0 "[ . 1 . 2]" 1
156 1 45 MET QB 1 46 LEU H . . 3.450 2.628 2.331 3.500 0.050 14 0 "[ . 1 . 2]" 1
157 1 46 LEU H 1 46 LEU HG . . 3.150 2.283 1.896 2.648 . 0 0 "[ . 1 . 2]" 1
158 1 46 LEU H 1 46 LEU MD1 . . 3.950 3.597 3.277 4.005 0.055 11 0 "[ . 1 . 2]" 1
159 1 67 LYS H 1 68 ALA H . . 3.440 2.789 2.621 2.957 . 0 0 "[ . 1 . 2]" 1
160 1 67 LYS H 1 67 LYS HB2 . . 3.590 2.494 2.347 2.689 . 0 0 "[ . 1 . 2]" 1
161 1 64 ASN HA 1 67 LYS H . . 3.820 3.621 3.433 3.869 0.049 2 0 "[ . 1 . 2]" 1
162 1 61 THR HA 1 64 ASN H . . 4.110 3.444 3.217 3.614 . 0 0 "[ . 1 . 2]" 1
163 1 64 ASN H 1 64 ASN HB2 . . 3.580 2.427 2.338 2.524 . 0 0 "[ . 1 . 2]" 1
164 1 64 ASN H 1 64 ASN HB3 . . 3.580 3.634 3.603 3.671 0.091 3 0 "[ . 1 . 2]" 1
165 1 63 MET H 1 64 ASN H . . 3.310 2.653 2.579 2.739 . 0 0 "[ . 1 . 2]" 1
166 1 9 ILE H 1 9 ILE MD . . 3.850 3.027 2.210 3.644 . 0 0 "[ . 1 . 2]" 1
167 1 9 ILE H 1 9 ILE HB . . 3.150 2.403 2.158 2.564 . 0 0 "[ . 1 . 2]" 1
168 1 8 ILE H 1 9 ILE H . . 3.600 2.799 2.617 2.939 . 0 0 "[ . 1 . 2]" 1
169 1 126 SER HA 1 128 ILE H . . 4.020 3.469 2.949 4.482 0.462 13 0 "[ . 1 . 2]" 1
170 1 127 PRO HA 1 128 ILE H . . 3.450 3.230 2.869 3.572 0.122 13 0 "[ . 1 . 2]" 1
171 1 128 ILE H 1 128 ILE HG12 . . 4.610 4.212 2.217 4.692 0.082 17 0 "[ . 1 . 2]" 1
172 1 105 LYS H 1 105 LYS QD . . 3.610 3.502 2.104 4.154 0.544 7 2 "[ -. + 1 . 2]" 1
173 1 30 ARG H 1 31 ARG H . . 3.530 2.565 2.413 3.018 . 0 0 "[ . 1 . 2]" 1
174 1 30 ARG QB 1 31 ARG H . . 3.300 2.770 2.335 3.077 . 0 0 "[ . 1 . 2]" 1
175 1 55 PRO HA 1 56 SER H . . 3.150 2.333 2.153 2.871 . 0 0 "[ . 1 . 2]" 1
176 1 43 LEU H 1 44 GLU H . . 3.280 2.581 2.373 2.763 . 0 0 "[ . 1 . 2]" 1
177 1 44 GLU H 1 45 MET H . . 3.470 2.575 2.448 2.782 . 0 0 "[ . 1 . 2]" 1
178 1 44 GLU H 1 44 GLU HG2 . . 4.000 3.468 2.371 3.780 . 0 0 "[ . 1 . 2]" 1
179 1 44 GLU H 1 44 GLU HB2 . . 3.930 2.508 2.253 3.701 . 0 0 "[ . 1 . 2]" 1
180 1 43 LEU HB3 1 44 GLU H . . 4.820 3.703 3.444 3.951 . 0 0 "[ . 1 . 2]" 1
181 1 9 ILE MD 1 44 GLU H . . 4.570 3.326 2.769 4.086 . 0 0 "[ . 1 . 2]" 1
182 1 111 LYS H 1 111 LYS HG2 . . 4.240 3.253 2.033 4.029 . 0 0 "[ . 1 . 2]" 1
183 1 111 LYS H 1 111 LYS HG3 . . 4.240 2.804 2.168 4.087 . 0 0 "[ . 1 . 2]" 1
184 1 102 VAL HA 1 105 LYS H . . 3.780 3.551 3.236 3.820 0.040 4 0 "[ . 1 . 2]" 1
185 1 146 ARG QD 1 147 ARG H . . 4.520 4.142 2.308 4.975 0.455 4 0 "[ . 1 . 2]" 1
186 1 140 GLN H 1 142 ALA H . . 4.510 4.221 3.908 4.680 0.170 6 0 "[ . 1 . 2]" 1
187 1 140 GLN H 1 140 GLN QB . . 3.190 2.292 2.121 2.506 . 0 0 "[ . 1 . 2]" 1
188 1 81 SER H 1 82 ASN H . . 3.190 2.718 2.657 2.796 . 0 0 "[ . 1 . 2]" 1
189 1 99 PHE QD 1 100 LYS H . . 5.340 4.897 4.677 5.074 . 0 0 "[ . 1 . 2]" 1
190 1 98 LEU HA 1 100 LYS H . . 5.350 4.239 4.033 4.704 . 0 0 "[ . 1 . 2]" 1
191 1 100 LYS H 1 100 LYS HB3 . . 3.860 2.711 2.347 3.019 . 0 0 "[ . 1 . 2]" 1
192 1 100 LYS H 1 100 LYS HG2 . . 4.460 4.233 2.118 4.628 0.168 15 0 "[ . 1 . 2]" 1
193 1 97 ILE MG 1 100 LYS H . . 3.810 3.112 2.548 4.007 0.197 18 0 "[ . 1 . 2]" 1
194 1 56 SER H 1 59 LEU H . . 4.880 3.907 3.385 4.414 . 0 0 "[ . 1 . 2]" 1
195 1 109 VAL H 1 111 LYS H . . 4.560 4.233 3.964 4.412 . 0 0 "[ . 1 . 2]" 1
196 1 108 ASP HB2 1 109 VAL H . . 3.980 3.641 2.432 3.949 . 0 0 "[ . 1 . 2]" 1
197 1 108 ASP HB3 1 109 VAL H . . 3.980 2.546 2.194 3.415 . 0 0 "[ . 1 . 2]" 1
198 1 109 VAL H 1 109 VAL HB . . 3.260 2.589 2.432 2.684 . 0 0 "[ . 1 . 2]" 1
199 1 109 VAL H 1 109 VAL MG2 . . 4.120 2.161 2.009 2.498 . 0 0 "[ . 1 . 2]" 1
200 1 29 CYS HB2 1 30 ARG H . . 4.760 3.935 3.787 4.197 . 0 0 "[ . 1 . 2]" 1
201 1 29 CYS HB3 1 30 ARG H . . 4.760 2.642 2.405 3.087 . 0 0 "[ . 1 . 2]" 1
202 1 30 ARG H 1 30 ARG QB . . 3.180 2.382 2.186 2.521 . 0 0 "[ . 1 . 2]" 1
203 1 112 GLU QB 1 113 LEU H . . 3.430 2.586 2.324 3.097 . 0 0 "[ . 1 . 2]" 1
204 1 86 ILE H 1 87 CYS H . . 3.630 2.847 2.779 2.947 . 0 0 "[ . 1 . 2]" 1
205 1 85 ASN HA 1 87 CYS H . . 5.020 4.735 4.431 4.888 . 0 0 "[ . 1 . 2]" 1
206 1 87 CYS H 1 87 CYS QB . . 3.110 2.255 2.226 2.280 . 0 0 "[ . 1 . 2]" 1
207 1 86 ILE HB 1 87 CYS H . . 3.400 2.323 2.232 2.484 . 0 0 "[ . 1 . 2]" 1
208 1 86 ILE MG 1 87 CYS H . . 3.870 3.351 3.082 3.501 . 0 0 "[ . 1 . 2]" 1
209 1 78 GLU H 1 78 GLU QB . . 3.100 2.249 2.152 2.385 . 0 0 "[ . 1 . 2]" 1
210 1 147 ARG H 1 147 ARG QB . . 3.040 2.304 2.146 2.720 . 0 0 "[ . 1 . 2]" 1
211 1 83 ARG QB 1 83 ARG HE . . 4.920 4.036 2.020 4.476 . 0 0 "[ . 1 . 2]" 1
212 1 83 ARG H 1 83 ARG HE . . 5.440 4.145 2.569 4.737 . 0 0 "[ . 1 . 2]" 1
213 1 27 LYS H 1 29 CYS H . . 4.810 3.980 3.635 4.322 . 0 0 "[ . 1 . 2]" 1
214 1 113 LEU H 1 113 LEU HB2 . . 3.760 2.304 2.089 2.467 . 0 0 "[ . 1 . 2]" 1
215 1 87 CYS H 1 149 PHE QE . . 4.390 3.724 3.391 4.106 . 0 0 "[ . 1 . 2]" 1
216 1 114 SER HA 1 118 GLN H . . 5.300 4.090 3.702 4.352 . 0 0 "[ . 1 . 2]" 1
217 1 68 ALA H 1 68 ALA MB . . 3.140 2.235 2.217 2.258 . 0 0 "[ . 1 . 2]" 1
218 1 88 ARG H 1 88 ARG QB . . 3.170 2.229 2.193 2.271 . 0 0 "[ . 1 . 2]" 1
219 1 87 CYS QB 1 88 ARG H . . 3.230 2.657 2.499 2.786 . 0 0 "[ . 1 . 2]" 1
220 1 136 GLN H 1 136 GLN QG . . 3.470 2.375 1.954 3.989 0.519 2 1 "[ + . 1 . 2]" 1
221 1 135 ALA MB 1 136 GLN H . . 3.390 2.674 2.275 2.973 . 0 0 "[ . 1 . 2]" 1
222 1 28 GLN H 1 29 CYS H . . 3.940 2.660 2.467 2.975 . 0 0 "[ . 1 . 2]" 1
223 1 29 CYS H 1 30 ARG H . . 3.980 2.624 2.500 2.802 . 0 0 "[ . 1 . 2]" 1
224 1 26 LYS HA 1 29 CYS H . . 4.260 3.673 3.244 4.131 . 0 0 "[ . 1 . 2]" 1
225 1 114 SER HA 1 117 LEU H . . 4.570 3.643 3.373 4.014 . 0 0 "[ . 1 . 2]" 1
226 1 116 LEU MD2 1 117 LEU H . . 4.340 4.496 4.038 4.735 0.395 4 0 "[ . 1 . 2]" 1
227 1 16 HIS H 1 17 LYS H . . 4.170 2.734 2.594 2.848 . 0 0 "[ . 1 . 2]" 1
228 1 16 HIS H 1 16 HIS QB . . 3.060 2.264 2.217 2.308 . 0 0 "[ . 1 . 2]" 1
229 1 15 ILE HB 1 16 HIS H . . 3.850 2.548 2.416 2.738 . 0 0 "[ . 1 . 2]" 1
230 1 15 ILE MG 1 16 HIS H . . 4.290 2.841 2.710 3.061 . 0 0 "[ . 1 . 2]" 1
231 1 128 ILE HB 1 129 SER H . . 3.820 3.900 1.810 4.412 0.592 7 1 "[ . + 1 . 2]" 1
232 1 70 LEU H 1 70 LEU HG . . 3.480 3.123 2.474 4.063 0.583 11 4 "[ .- *+ * 2]" 1
233 1 70 LEU H 1 70 LEU MD1 . . 4.320 3.747 2.416 4.006 . 0 0 "[ . 1 . 2]" 1
234 1 70 LEU H 1 71 GLU H . . 3.390 2.618 2.360 2.723 . 0 0 "[ . 1 . 2]" 1
235 1 69 ALA H 1 70 LEU H . . 3.250 2.653 2.480 2.745 . 0 0 "[ . 1 . 2]" 1
236 1 70 LEU H 1 70 LEU HB2 . . 3.720 2.368 2.198 2.469 . 0 0 "[ . 1 . 2]" 1
237 1 70 LEU H 1 70 LEU HB3 . . 3.720 3.588 3.499 3.631 . 0 0 "[ . 1 . 2]" 1
238 1 49 GLN H 1 49 GLN QG . . 3.700 2.761 2.026 4.066 0.366 19 0 "[ . 1 . 2]" 1
239 1 48 ASP HA 1 49 GLN H . . 3.480 3.542 3.430 3.637 0.157 13 0 "[ . 1 . 2]" 1
240 1 46 LEU H 1 47 GLN H . . 3.190 2.519 2.404 2.703 . 0 0 "[ . 1 . 2]" 1
241 1 46 LEU HG 1 47 GLN H . . 4.550 3.728 2.232 4.646 0.096 4 0 "[ . 1 . 2]" 1
242 1 97 ILE H 1 97 ILE HB . . 3.570 2.706 2.498 2.904 . 0 0 "[ . 1 . 2]" 1
243 1 36 VAL H 1 37 LEU H . . 3.810 2.865 2.705 2.990 . 0 0 "[ . 1 . 2]" 1
244 1 36 VAL H 1 36 VAL HB . . 3.170 2.473 2.391 2.594 . 0 0 "[ . 1 . 2]" 1
245 1 61 THR H 1 62 ALA H . . 3.150 2.735 2.624 2.842 . 0 0 "[ . 1 . 2]" 1
246 1 149 PHE QB 1 150 GLN H . . 4.560 2.348 2.170 2.717 . 0 0 "[ . 1 . 2]" 1
247 1 16 HIS QB 1 17 LYS H . . 3.380 2.737 2.467 2.948 . 0 0 "[ . 1 . 2]" 1
248 1 17 LYS H 1 17 LYS QB . . 3.170 2.229 2.055 2.487 . 0 0 "[ . 1 . 2]" 1
249 1 103 ASN HA 1 106 LEU H . . 4.250 2.941 2.673 3.459 . 0 0 "[ . 1 . 2]" 1
250 1 102 VAL HA 1 106 LEU H . . 4.210 4.456 4.159 4.715 0.505 1 1 "[+ . 1 . 2]" 1
251 1 106 LEU H 1 106 LEU HB3 . . 3.850 3.633 3.572 3.697 . 0 0 "[ . 1 . 2]" 1
252 1 104 ARG H 1 106 LEU H . . 4.890 4.162 3.816 4.410 . 0 0 "[ . 1 . 2]" 1
253 1 60 THR MG 1 63 MET H . . 4.980 4.894 4.605 5.235 0.255 14 0 "[ . 1 . 2]" 1
254 1 63 MET H 1 63 MET HB2 . . 3.560 2.430 2.270 2.538 . 0 0 "[ . 1 . 2]" 1
255 1 61 THR HA 1 63 MET H . . 4.960 4.561 4.355 4.715 . 0 0 "[ . 1 . 2]" 1
256 1 63 MET H 1 63 MET QG . . 3.430 2.518 2.267 3.465 0.035 14 0 "[ . 1 . 2]" 1
257 1 63 MET H 1 63 MET HB3 . . 3.560 3.609 3.549 3.637 0.077 2 0 "[ . 1 . 2]" 1
258 1 137 GLU H 1 138 ASP H . . 3.180 2.821 2.597 2.936 . 0 0 "[ . 1 . 2]" 1
259 1 138 ASP H 1 139 GLN H . . 3.140 2.810 2.570 3.079 . 0 0 "[ . 1 . 2]" 1
260 1 137 GLU HB2 1 138 ASP H . . 4.450 2.600 2.113 3.840 . 0 0 "[ . 1 . 2]" 1
261 1 60 THR H 1 60 THR HB . . 3.390 2.578 2.505 2.737 . 0 0 "[ . 1 . 2]" 1
262 1 59 LEU HB3 1 60 THR H . . 3.870 2.715 2.240 3.655 . 0 0 "[ . 1 . 2]" 1
263 1 60 THR H 1 60 THR MG . . 4.040 3.783 3.759 3.822 . 0 0 "[ . 1 . 2]" 1
264 1 59 LEU HB2 1 60 THR H . . 3.870 3.374 2.529 4.144 0.274 5 0 "[ . 1 . 2]" 1
265 1 60 THR H 1 61 THR H . . 3.180 2.712 2.618 2.825 . 0 0 "[ . 1 . 2]" 1
266 1 60 THR MG 1 61 THR H . . 3.580 3.558 3.320 3.892 0.312 16 0 "[ . 1 . 2]" 1
267 1 37 LEU H 1 38 GLY H . . 3.160 2.716 2.581 2.826 . 0 0 "[ . 1 . 2]" 1
268 1 16 HIS QB 1 37 LEU H . . 4.460 4.612 3.878 4.947 0.487 7 0 "[ . 1 . 2]" 1
269 1 116 LEU H 1 118 GLN H . . 5.430 4.273 3.916 4.558 . 0 0 "[ . 1 . 2]" 1
270 1 114 SER HA 1 116 LEU H . . 5.150 4.822 4.471 5.097 . 0 0 "[ . 1 . 2]" 1
271 1 135 ALA HA 1 138 ASP H . . 4.410 4.165 3.254 4.704 0.294 20 0 "[ . 1 . 2]" 1
272 1 137 GLU HB3 1 138 ASP H . . 4.450 3.337 2.172 4.018 . 0 0 "[ . 1 . 2]" 1
273 1 58 LYS H 1 60 THR H . . 5.500 4.312 4.044 4.593 . 0 0 "[ . 1 . 2]" 1
274 1 19 CYS H 1 19 CYS HB2 . . 3.490 2.568 2.472 2.685 . 0 0 "[ . 1 . 2]" 1
275 1 19 CYS H 1 19 CYS HB3 . . 3.490 2.573 2.483 2.658 . 0 0 "[ . 1 . 2]" 1
276 1 34 HIS HA 1 37 LEU H . . 4.460 3.947 3.489 4.373 . 0 0 "[ . 1 . 2]" 1
277 1 36 VAL MG1 1 37 LEU H . . 3.860 3.233 2.874 3.483 . 0 0 "[ . 1 . 2]" 1
278 1 20 GLU H 1 22 MET H . . 4.570 4.447 4.223 4.609 0.039 2 0 "[ . 1 . 2]" 1
279 1 19 CYS HB2 1 20 GLU H . . 4.150 4.185 4.076 4.258 0.108 15 0 "[ . 1 . 2]" 1
280 1 116 LEU H 1 116 LEU HG . . 3.220 2.134 1.953 2.362 . 0 0 "[ . 1 . 2]" 1
281 1 116 LEU H 1 116 LEU HB3 . . 4.070 2.787 2.572 2.969 . 0 0 "[ . 1 . 2]" 1
282 1 113 LEU HA 1 116 LEU H . . 4.490 3.809 3.452 4.005 . 0 0 "[ . 1 . 2]" 1
283 1 115 LEU QB 1 116 LEU H . . 3.190 2.530 2.306 3.569 0.379 14 0 "[ . 1 . 2]" 1
284 1 18 ARG H 1 19 CYS HB3 . . 5.020 4.857 4.617 5.128 0.108 2 0 "[ . 1 . 2]" 1
285 1 18 ARG H 1 19 CYS H . . 3.770 2.522 2.285 2.747 . 0 0 "[ . 1 . 2]" 1
286 1 17 LYS H 1 18 ARG H . . 3.490 2.806 2.522 3.023 . 0 0 "[ . 1 . 2]" 1
287 1 18 ARG H 1 18 ARG HG3 . . 4.040 3.376 3.036 3.776 . 0 0 "[ . 1 . 2]" 1
288 1 15 ILE HA 1 18 ARG H . . 4.580 3.764 3.522 4.062 . 0 0 "[ . 1 . 2]" 1
289 1 150 GLN QB 1 151 MET H . . 3.560 2.648 2.114 3.212 . 0 0 "[ . 1 . 2]" 1
290 1 19 CYS H 1 20 GLU H . . 3.540 2.634 2.493 2.800 . 0 0 "[ . 1 . 2]" 1
291 1 18 ARG H 1 20 GLU H . . 4.730 4.236 3.876 4.475 . 0 0 "[ . 1 . 2]" 1
292 1 19 CYS HB3 1 20 GLU H . . 4.150 3.153 2.955 3.327 . 0 0 "[ . 1 . 2]" 1
293 1 18 ARG H 1 19 CYS HB2 . . 5.020 4.786 4.552 4.993 . 0 0 "[ . 1 . 2]" 1
294 1 17 LYS QB 1 18 ARG H . . 3.120 2.555 2.240 2.929 . 0 0 "[ . 1 . 2]" 1
295 1 119 VAL H 1 121 GLN H . . 4.670 4.324 4.096 4.597 . 0 0 "[ . 1 . 2]" 1
296 1 118 GLN H 1 119 VAL H . . 3.670 2.580 2.471 2.720 . 0 0 "[ . 1 . 2]" 1
297 1 116 LEU HA 1 119 VAL H . . 3.990 3.297 2.826 3.890 . 0 0 "[ . 1 . 2]" 1
298 1 120 GLU H 1 121 GLN H . . 3.600 2.546 2.364 2.729 . 0 0 "[ . 1 . 2]" 1
299 1 116 LEU HA 1 120 GLU H . . 4.620 3.419 3.043 3.958 . 0 0 "[ . 1 . 2]" 1
300 1 120 GLU H 1 120 GLU HB2 . . 3.590 2.560 2.395 2.778 . 0 0 "[ . 1 . 2]" 1
301 1 120 GLU H 1 120 GLU HB3 . . 3.590 3.413 2.389 3.709 0.119 6 0 "[ . 1 . 2]" 1
302 1 136 GLN HA 1 139 GLN H . . 3.860 3.815 3.322 4.232 0.372 17 0 "[ . 1 . 2]" 1
303 1 43 LEU H 1 45 MET H . . 4.710 4.167 3.897 4.662 . 0 0 "[ . 1 . 2]" 1
304 1 45 MET H 1 46 LEU HG . . 4.350 4.348 3.995 4.789 0.439 11 0 "[ . 1 . 2]" 1
305 1 135 ALA MB 1 139 GLN H . . 5.200 5.227 4.782 5.702 0.502 17 1 "[ . 1 . + 2]" 1
306 1 138 ASP HB2 1 139 GLN H . . 4.480 2.832 2.066 3.644 . 0 0 "[ . 1 . 2]" 1
307 1 139 GLN H 1 139 GLN QB . . 3.130 2.419 2.218 2.719 . 0 0 "[ . 1 . 2]" 1
308 1 110 TRP H 1 112 GLU H . . 4.580 4.365 4.112 4.738 0.158 10 0 "[ . 1 . 2]" 1
309 1 112 GLU H 1 112 GLU HG2 . . 4.060 3.115 2.014 3.546 . 0 0 "[ . 1 . 2]" 1
310 1 112 GLU H 1 112 GLU QB . . 3.100 2.529 2.336 2.633 . 0 0 "[ . 1 . 2]" 1
311 1 41 LYS HA 1 45 MET H . . 4.320 4.208 3.945 4.447 0.127 20 0 "[ . 1 . 2]" 1
312 1 45 MET H 1 45 MET QB . . 3.140 2.491 2.398 2.582 . 0 0 "[ . 1 . 2]" 1
313 1 112 GLU H 1 115 LEU HG . . 5.000 5.016 4.736 5.374 0.374 3 0 "[ . 1 . 2]" 1
314 1 108 ASP HA 1 112 GLU H . . 5.040 4.330 4.123 4.539 . 0 0 "[ . 1 . 2]" 1
315 1 2 MET ME 1 4 ASN H . . 5.280 5.573 4.833 6.073 0.793 3 9 "[* + . ***** .* - 2]" 1
316 1 71 GLU HA 1 74 ASN H . . 3.570 3.603 3.388 3.789 0.219 14 0 "[ . 1 . 2]" 1
317 1 74 ASN H 1 74 ASN HB2 . . 3.340 2.439 2.285 2.642 . 0 0 "[ . 1 . 2]" 1
318 1 74 ASN H 1 74 ASN HB3 . . 3.340 2.580 2.431 2.719 . 0 0 "[ . 1 . 2]" 1
319 1 80 PHE H 1 80 PHE QD . . 4.190 3.452 3.183 3.600 . 0 0 "[ . 1 . 2]" 1
320 1 80 PHE H 1 80 PHE HB2 . . 3.780 2.398 2.322 2.483 . 0 0 "[ . 1 . 2]" 1
321 1 80 PHE H 1 80 PHE HB3 . . 3.780 3.621 3.591 3.641 . 0 0 "[ . 1 . 2]" 1
322 1 26 LYS H 1 27 LYS H . . 3.120 2.617 2.481 2.846 . 0 0 "[ . 1 . 2]" 1
323 1 24 TYR H 1 24 TYR HB2 . . 3.880 2.423 2.298 2.581 . 0 0 "[ . 1 . 2]" 1
324 1 23 LYS QE 1 24 TYR H . . 4.260 4.173 3.373 5.070 0.810 18 4 "[ . -* 1 * + 2]" 1
325 1 24 TYR H 1 24 TYR HB3 . . 3.880 3.630 3.558 3.733 . 0 0 "[ . 1 . 2]" 1
326 1 19 CYS H 1 21 GLU H . . 4.630 4.321 4.031 4.689 0.059 15 0 "[ . 1 . 2]" 1
327 1 10 THR H 1 11 LEU H . . 3.400 2.751 2.646 2.869 . 0 0 "[ . 1 . 2]" 1
328 1 10 THR H 1 10 THR HB . . 3.230 2.535 2.433 2.614 . 0 0 "[ . 1 . 2]" 1
329 1 7 HIS HA 1 10 THR H . . 4.250 3.594 2.956 4.047 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLU H 1 22 MET H . . 3.540 2.667 2.421 2.758 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLU H 1 21 GLU HB2 . . 3.670 2.606 2.161 3.683 0.013 1 0 "[ . 1 . 2]" 1
332 1 20 GLU H 1 21 GLU H . . 3.550 2.739 2.510 2.916 . 0 0 "[ . 1 . 2]" 1
333 1 35 ARG HE 1 134 TRP QB . . 5.500 4.646 3.156 5.853 0.353 19 0 "[ . 1 . 2]" 1
334 1 9 ILE HB 1 10 THR H . . 3.350 2.666 2.388 2.986 . 0 0 "[ . 1 . 2]" 1
335 1 10 THR H 1 10 THR MG . . 4.180 3.814 3.786 3.850 . 0 0 "[ . 1 . 2]" 1
336 1 9 ILE MG 1 10 THR H . . 3.860 3.268 2.967 3.517 . 0 0 "[ . 1 . 2]" 1
337 1 9 ILE MD 1 10 THR H . . 4.540 4.598 4.232 4.796 0.256 6 0 "[ . 1 . 2]" 1
338 1 120 GLU H 1 122 ARG H . . 5.210 3.520 3.276 3.950 . 0 0 "[ . 1 . 2]" 1
339 1 122 ARG H 1 123 MET H . . 4.230 2.720 2.599 3.156 . 0 0 "[ . 1 . 2]" 1
340 1 122 ARG H 1 122 ARG QG . . 4.000 3.288 2.671 4.237 0.237 5 0 "[ . 1 . 2]" 1
341 1 122 ARG H 1 122 ARG QD . . 4.920 4.406 2.654 5.467 0.547 17 1 "[ . 1 . + 2]" 1
342 1 43 LEU H 1 43 LEU HB2 . . 3.800 2.335 2.200 2.430 . 0 0 "[ . 1 . 2]" 1
343 1 43 LEU H 1 43 LEU HB3 . . 3.800 3.583 3.495 3.643 . 0 0 "[ . 1 . 2]" 1
344 1 43 LEU H 1 43 LEU MD1 . . 4.000 3.791 3.579 4.066 0.066 2 0 "[ . 1 . 2]" 1
345 1 43 LEU H 1 43 LEU MD2 . . 4.000 2.274 2.137 2.536 . 0 0 "[ . 1 . 2]" 1
346 1 40 ILE HA 1 43 LEU H . . 3.950 3.795 3.514 3.999 0.049 1 0 "[ . 1 . 2]" 1
347 1 42 PRO HB2 1 43 LEU H . . 4.450 2.911 2.317 3.395 . 0 0 "[ . 1 . 2]" 1
348 1 84 SER H 1 85 ASN H . . 3.500 2.634 2.493 2.752 . 0 0 "[ . 1 . 2]" 1
349 1 24 TYR HA 1 25 CYS H . . 3.560 2.498 2.295 2.680 . 0 0 "[ . 1 . 2]" 1
350 1 97 ILE MG 1 99 PHE H . . 4.600 2.094 1.756 2.952 . 0 0 "[ . 1 . 2]" 1
351 1 99 PHE H 1 99 PHE QD . . 4.510 2.616 2.054 3.137 . 0 0 "[ . 1 . 2]" 1
352 1 99 PHE H 1 100 LYS H . . 4.250 2.796 2.402 3.190 . 0 0 "[ . 1 . 2]" 1
353 1 25 CYS H 1 26 LYS H . . 3.770 2.944 2.624 3.325 . 0 0 "[ . 1 . 2]" 1
354 1 132 ALA MB 1 133 SER H . . 4.890 2.529 2.190 3.115 . 0 0 "[ . 1 . 2]" 1
355 1 117 LEU HA 1 121 GLN H . . 4.180 2.990 2.684 3.308 . 0 0 "[ . 1 . 2]" 1
356 1 111 LYS H 1 114 SER H . . 4.710 4.839 4.593 5.004 0.294 7 0 "[ . 1 . 2]" 1
357 1 110 TRP HA 1 114 SER H . . 4.620 3.588 3.297 3.811 . 0 0 "[ . 1 . 2]" 1
358 1 114 SER H 1 114 SER HB2 . . 3.760 2.996 2.329 3.648 . 0 0 "[ . 1 . 2]" 1
359 1 114 SER H 1 114 SER HB3 . . 3.760 2.544 2.441 2.625 . 0 0 "[ . 1 . 2]" 1
360 1 114 SER H 1 115 LEU HG . . 5.200 4.753 4.455 5.098 . 0 0 "[ . 1 . 2]" 1
361 1 139 GLN QB 1 139 GLN HE22 . . 4.800 3.495 3.269 3.788 . 0 0 "[ . 1 . 2]" 1
362 1 93 SER H 1 93 SER QB . . 3.370 2.471 2.250 2.837 . 0 0 "[ . 1 . 2]" 1
363 1 92 ALA MB 1 93 SER H . . 3.860 3.046 2.252 3.568 . 0 0 "[ . 1 . 2]" 1
364 1 90 LEU QD 1 91 THR H . . 4.160 4.074 3.917 4.322 0.162 6 0 "[ . 1 . 2]" 1
365 1 103 ASN HA 1 107 SER H . . 4.860 3.954 3.688 4.146 . 0 0 "[ . 1 . 2]" 1
366 1 106 LEU HB2 1 107 SER H . . 3.860 2.836 2.670 3.030 . 0 0 "[ . 1 . 2]" 1
367 1 107 SER H 1 110 TRP H . . 4.910 4.609 4.361 4.771 . 0 0 "[ . 1 . 2]" 1
368 1 106 LEU HB3 1 107 SER H . . 3.860 3.449 3.178 3.803 . 0 0 "[ . 1 . 2]" 1
369 1 90 LEU H 1 91 THR H . . 3.540 2.531 2.397 2.739 . 0 0 "[ . 1 . 2]" 1
370 1 91 THR H 1 92 ALA H . . 3.660 2.558 2.435 2.720 . 0 0 "[ . 1 . 2]" 1
371 1 91 THR H 1 91 THR HB . . 3.130 2.578 2.469 2.666 . 0 0 "[ . 1 . 2]" 1
372 1 91 THR H 1 91 THR MG . . 3.640 2.163 2.044 2.290 . 0 0 "[ . 1 . 2]" 1
373 1 87 CYS HA 1 150 GLN HE21 . . 5.500 4.227 3.122 6.001 0.501 8 1 "[ . + 1 . 2]" 1
374 1 150 GLN HA 1 150 GLN HE21 . . 4.330 2.850 2.506 4.061 . 0 0 "[ . 1 . 2]" 1
375 1 64 ASN HB2 1 64 ASN HD22 . . 3.930 3.496 3.483 3.512 . 0 0 "[ . 1 . 2]" 1
376 1 64 ASN HB3 1 64 ASN HD22 . . 3.930 3.802 3.745 4.027 0.097 2 0 "[ . 1 . 2]" 1
377 1 87 CYS HA 1 150 GLN HE22 . . 5.500 3.539 2.370 5.692 0.192 15 0 "[ . 1 . 2]" 1
378 1 61 THR HA 1 64 ASN HD22 . . 5.050 3.707 3.114 4.130 . 0 0 "[ . 1 . 2]" 1
379 1 13 GLN HE21 1 40 ILE MG . . 5.500 4.855 4.277 5.414 . 0 0 "[ . 1 . 2]" 1
380 1 9 ILE MG 1 13 GLN HE21 . . 4.060 2.687 1.970 3.600 . 0 0 "[ . 1 . 2]" 1
381 1 9 ILE MG 1 13 GLN HE22 . . 4.060 3.445 2.294 4.557 0.497 5 0 "[ . 1 . 2]" 1
382 1 13 GLN HE22 1 40 ILE MG . . 5.500 5.558 4.701 6.181 0.681 6 6 "[ .+ **** - 2]" 1
383 1 6 LYS QG 1 47 GLN HE21 . . 5.170 4.641 2.964 5.657 0.487 6 0 "[ . 1 . 2]" 1
384 1 6 LYS QG 1 47 GLN HE22 . . 5.170 4.180 2.293 5.513 0.343 17 0 "[ . 1 . 2]" 1
385 1 131 GLY H 1 132 ALA H . . 5.150 2.433 1.931 3.159 . 0 0 "[ . 1 . 2]" 1
386 1 50 GLY H 1 51 LYS H . . 4.780 3.523 2.518 4.580 . 0 0 "[ . 1 . 2]" 1
387 1 39 LEU H 1 40 ILE H . . 3.160 2.461 2.378 2.550 . 0 0 "[ . 1 . 2]" 1
388 1 37 LEU HA 1 40 ILE H . . 4.010 3.502 3.222 3.686 . 0 0 "[ . 1 . 2]" 1
389 1 40 ILE H 1 40 ILE HB . . 3.710 3.709 3.677 3.739 0.029 19 0 "[ . 1 . 2]" 1
390 1 38 GLY QA 1 40 ILE H . . 4.750 4.345 4.170 4.487 . 0 0 "[ . 1 . 2]" 1
391 1 39 LEU HB2 1 40 ILE H . . 4.700 2.997 2.439 4.066 . 0 0 "[ . 1 . 2]" 1
392 1 40 ILE H 1 40 ILE MD . . 4.030 3.631 3.469 3.737 . 0 0 "[ . 1 . 2]" 1
393 1 36 VAL HA 1 40 ILE H . . 5.500 4.068 3.928 4.322 . 0 0 "[ . 1 . 2]" 1
394 1 11 LEU H 1 12 GLY H . . 3.320 2.801 2.679 2.909 . 0 0 "[ . 1 . 2]" 1
395 1 74 ASN HB2 1 75 GLY H . . 4.130 3.802 3.633 3.903 . 0 0 "[ . 1 . 2]" 1
396 1 74 ASN H 1 75 GLY H . . 3.750 2.717 2.549 2.905 . 0 0 "[ . 1 . 2]" 1
397 1 74 ASN HB3 1 75 GLY H . . 4.130 2.540 2.333 2.708 . 0 0 "[ . 1 . 2]" 1
398 1 75 GLY H 1 78 GLU QB . . 5.280 4.483 4.262 4.817 . 0 0 "[ . 1 . 2]" 1
399 1 32 LEU MD2 1 33 GLY H . . 5.500 4.150 3.883 4.655 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU MD1 1 33 GLY H . . 5.500 4.397 3.350 4.712 . 0 0 "[ . 1 . 2]" 1
401 1 37 LEU HB3 1 38 GLY H . . 4.190 3.448 2.585 3.679 . 0 0 "[ . 1 . 2]" 1
402 1 36 VAL H 1 38 GLY H . . 5.040 4.293 4.034 4.551 . 0 0 "[ . 1 . 2]" 1
403 1 37 LEU HB2 1 38 GLY H . . 4.190 2.766 2.453 3.778 . 0 0 "[ . 1 . 2]" 1
404 1 91 THR HB 1 92 ALA H . . 4.570 4.134 4.017 4.259 . 0 0 "[ . 1 . 2]" 1
405 1 88 ARG HA 1 91 THR HB . . 4.420 4.749 4.455 4.943 0.523 7 3 "[ . + *1 . -2]" 1
406 1 61 THR HB 1 62 ALA H . . 3.630 2.620 2.453 2.891 . 0 0 "[ . 1 . 2]" 1
407 1 60 THR HB 1 61 THR H . . 3.660 2.579 2.325 2.804 . 0 0 "[ . 1 . 2]" 1
408 1 57 GLU HA 1 60 THR HB . . 4.100 3.022 2.427 3.886 . 0 0 "[ . 1 . 2]" 1
409 1 61 THR H 1 61 THR HB . . 3.450 2.576 2.489 2.672 . 0 0 "[ . 1 . 2]" 1
410 1 61 THR HB 1 62 ALA MB . . 4.560 3.999 3.870 4.143 . 0 0 "[ . 1 . 2]" 1
411 1 61 THR HB 1 65 ARG QD . . 5.120 4.599 3.847 5.618 0.498 10 0 "[ . 1 . 2]" 1
412 1 60 THR HA 1 60 THR MG . . 3.560 2.440 2.328 2.512 . 0 0 "[ . 1 . 2]" 1
413 1 60 THR HA 1 63 MET H . . 4.180 3.577 3.259 4.019 . 0 0 "[ . 1 . 2]" 1
414 1 36 VAL HA 1 40 ILE MG . . 4.460 3.550 3.215 3.858 . 0 0 "[ . 1 . 2]" 1
415 1 36 VAL HA 1 39 LEU H . . 4.230 3.493 3.220 3.905 . 0 0 "[ . 1 . 2]" 1
416 1 61 THR HA 1 64 ASN HD21 . . 5.050 2.358 1.923 2.612 . 0 0 "[ . 1 . 2]" 1
417 1 61 THR HA 1 61 THR MG . . 3.230 2.470 2.411 2.540 . 0 0 "[ . 1 . 2]" 1
418 1 10 THR HA 1 10 THR MG . . 3.520 2.494 2.443 2.547 . 0 0 "[ . 1 . 2]" 1
419 1 14 VAL HA 1 17 LYS QD . . 4.360 3.628 2.718 4.978 0.618 4 2 "[- +. 1 . 2]" 1
420 1 14 VAL HA 1 17 LYS H . . 5.010 3.343 3.111 3.644 . 0 0 "[ . 1 . 2]" 1
421 1 9 ILE HA 1 9 ILE HG12 . . 4.090 3.194 2.486 3.698 . 0 0 "[ . 1 . 2]" 1
422 1 8 ILE HA 1 8 ILE MD . . 3.930 3.883 3.848 3.965 0.035 1 0 "[ . 1 . 2]" 1
423 1 8 ILE HA 1 8 ILE MG . . 3.380 2.600 2.411 2.674 . 0 0 "[ . 1 . 2]" 1
424 1 42 PRO HA 1 45 MET H . . 3.930 3.691 3.378 4.002 0.072 14 0 "[ . 1 . 2]" 1
425 1 109 VAL HA 1 112 GLU H . . 3.900 3.502 3.099 3.994 0.094 13 0 "[ . 1 . 2]" 1
426 1 108 ASP HA 1 109 VAL HA . . 5.120 4.784 4.720 4.879 . 0 0 "[ . 1 . 2]" 1
427 1 109 VAL HA 1 112 GLU QB . . 3.430 2.736 2.336 3.497 0.067 10 0 "[ . 1 . 2]" 1
428 1 91 THR HA 1 91 THR MG . . 3.430 3.267 3.260 3.277 . 0 0 "[ . 1 . 2]" 1
429 1 9 ILE HA 1 12 GLY H . . 4.840 3.733 3.379 4.164 . 0 0 "[ . 1 . 2]" 1
430 1 29 CYS HA 1 32 LEU H . . 5.140 3.744 3.307 4.297 . 0 0 "[ . 1 . 2]" 1
431 1 80 PHE QE 1 86 ILE HA . . 4.900 3.203 2.888 3.657 . 0 0 "[ . 1 . 2]" 1
432 1 118 GLN HE21 1 124 PRO HA . . 5.120 4.303 3.191 5.757 0.637 17 2 "[ . 1 - . + 2]" 1
433 1 118 GLN HE22 1 124 PRO HA . . 5.120 4.587 2.000 5.749 0.629 19 5 "[ -. *1 . *+*]" 1
434 1 40 ILE HA 1 44 GLU H . . 4.990 4.278 3.983 4.438 . 0 0 "[ . 1 . 2]" 1
435 1 40 ILE HA 1 40 ILE MG . . 3.410 2.357 2.322 2.380 . 0 0 "[ . 1 . 2]" 1
436 1 107 SER H 1 107 SER HB2 . . 3.670 2.562 2.435 2.698 . 0 0 "[ . 1 . 2]" 1
437 1 107 SER HB3 1 108 ASP H . . 4.100 2.799 2.318 3.776 . 0 0 "[ . 1 . 2]" 1
438 1 107 SER H 1 107 SER HB3 . . 3.670 2.756 2.497 3.615 . 0 0 "[ . 1 . 2]" 1
439 1 84 SER QB 1 85 ASN H . . 4.770 2.993 2.563 3.500 . 0 0 "[ . 1 . 2]" 1
440 1 110 TRP HE1 1 114 SER HB2 . . 5.470 4.832 4.054 5.837 0.367 6 0 "[ . 1 . 2]" 1
441 1 89 PHE HA 1 92 ALA MB . . 4.310 2.780 2.404 3.202 . 0 0 "[ . 1 . 2]" 1
442 1 89 PHE HA 1 90 LEU HA . . 5.150 4.844 4.800 4.902 . 0 0 "[ . 1 . 2]" 1
443 1 128 ILE HA 1 128 ILE MG . . 3.380 3.138 2.311 3.280 . 0 0 "[ . 1 . 2]" 1
444 1 110 TRP HZ2 1 125 VAL HA . . 5.260 5.245 4.528 5.844 0.584 20 1 "[ . 1 . +]" 1
445 1 125 VAL HA 1 125 VAL MG1 . . 3.500 2.572 2.300 3.291 . 0 0 "[ . 1 . 2]" 1
446 1 107 SER HA 1 134 TRP HE3 . . 4.850 3.061 1.718 3.899 . 0 0 "[ . 1 . 2]" 1
447 1 114 SER HA 1 117 LEU HB2 . . 5.030 2.503 2.157 2.831 . 0 0 "[ . 1 . 2]" 1
448 1 16 HIS HA 1 19 CYS H . . 4.220 3.816 3.228 4.234 0.014 18 0 "[ . 1 . 2]" 1
449 1 66 PHE HA 1 66 PHE QD . . 3.620 2.063 1.790 2.386 . 0 0 "[ . 1 . 2]" 1
450 1 41 LYS HA 1 41 LYS QG . . 3.750 2.685 2.325 3.159 . 0 0 "[ . 1 . 2]" 1
451 1 149 PHE HA 1 152 LEU H . . 4.820 4.884 4.237 5.372 0.552 5 3 "[ +- 1 . *2]" 1
452 1 148 ALA MB 1 149 PHE HA . . 4.410 4.033 3.900 4.152 . 0 0 "[ . 1 . 2]" 1
453 1 105 LYS HA 1 108 ASP HB3 . . 3.970 2.985 2.317 4.429 0.459 6 0 "[ . 1 . 2]" 1
454 1 24 TYR HA 1 25 CYS HA . . 4.720 4.493 4.315 4.686 . 0 0 "[ . 1 . 2]" 1
455 1 111 LYS HA 1 111 LYS QE . . 5.340 4.623 4.104 5.758 0.418 4 0 "[ . 1 . 2]" 1
456 1 67 LYS HA 1 68 ALA HA . . 5.060 4.871 4.818 4.909 . 0 0 "[ . 1 . 2]" 1
457 1 65 ARG HA 1 68 ALA MB . . 3.230 2.669 2.316 2.964 . 0 0 "[ . 1 . 2]" 1
458 1 57 GLU HA 1 60 THR H . . 4.230 3.677 3.204 4.241 0.011 16 0 "[ . 1 . 2]" 1
459 1 146 ARG HA 1 146 ARG QG . . 3.180 2.611 2.341 3.530 0.350 15 0 "[ . 1 . 2]" 1
460 1 105 LYS HA 1 108 ASP HB2 . . 3.970 3.642 2.674 4.389 0.419 19 0 "[ . 1 . 2]" 1
461 1 63 MET HA 1 67 LYS H . . 4.170 3.795 3.532 4.069 . 0 0 "[ . 1 . 2]" 1
462 1 144 GLU HA 1 147 ARG H . . 4.070 3.804 3.297 4.423 0.353 10 0 "[ . 1 . 2]" 1
463 1 88 ARG HA 1 91 THR H . . 3.950 4.230 4.077 4.372 0.422 11 0 "[ . 1 . 2]" 1
464 1 13 GLN HA 1 40 ILE MD . . 4.930 2.834 2.181 3.189 . 0 0 "[ . 1 . 2]" 1
465 1 71 GLU HA 1 74 ASN HB2 . . 4.430 3.376 2.869 3.719 . 0 0 "[ . 1 . 2]" 1
466 1 6 LYS HA 1 6 LYS QG . . 3.600 2.632 2.385 3.186 . 0 0 "[ . 1 . 2]" 1
467 1 44 GLU HA 1 47 GLN H . . 3.760 3.390 3.060 3.778 0.018 14 0 "[ . 1 . 2]" 1
468 1 79 LYS HA 1 81 SER H . . 3.550 3.809 3.551 3.993 0.443 3 0 "[ . 1 . 2]" 1
469 1 104 ARG HA 1 104 ARG QG . . 3.360 2.671 2.420 3.212 . 0 0 "[ . 1 . 2]" 1
470 1 76 GLU HA 1 80 PHE QD . . 4.740 4.521 4.077 5.020 0.280 10 0 "[ . 1 . 2]" 1
471 1 147 ARG HA 1 147 ARG QD . . 4.410 3.575 2.045 4.314 . 0 0 "[ . 1 . 2]" 1
472 1 136 GLN HA 1 136 GLN QG . . 3.250 2.547 2.402 3.010 . 0 0 "[ . 1 . 2]" 1
473 1 27 LYS HA 1 30 ARG QB . . 3.950 2.645 2.017 3.229 . 0 0 "[ . 1 . 2]" 1
474 1 18 ARG HA 1 21 GLU H . . 4.130 3.861 3.322 4.519 0.389 15 0 "[ . 1 . 2]" 1
475 1 17 LYS HA 1 20 GLU H . . 4.150 4.197 3.542 4.687 0.537 14 1 "[ . 1 +. 2]" 1
476 1 134 TRP HA 1 134 TRP HE1 . . 4.930 4.619 4.428 4.868 . 0 0 "[ . 1 . 2]" 1
477 1 7 HIS HA 1 10 THR MG . . 4.840 4.056 3.717 4.464 . 0 0 "[ . 1 . 2]" 1
478 1 118 GLN HA 1 118 GLN HG2 . . 3.950 3.292 2.495 3.823 . 0 0 "[ . 1 . 2]" 1
479 1 140 GLN HA 1 142 ALA H . . 4.910 4.706 4.354 5.203 0.293 6 0 "[ . 1 . 2]" 1
480 1 106 LEU HA 1 109 VAL H . . 4.580 4.099 3.869 4.279 . 0 0 "[ . 1 . 2]" 1
481 1 139 GLN HA 1 142 ALA H . . 4.700 3.989 3.376 4.612 . 0 0 "[ . 1 . 2]" 1
482 1 120 GLU HA 1 120 GLU HG2 . . 4.010 2.957 2.459 3.856 . 0 0 "[ . 1 . 2]" 1
483 1 130 GLN HA 1 130 GLN QG . . 3.730 2.807 2.427 3.517 . 0 0 "[ . 1 . 2]" 1
484 1 112 GLU QB 1 113 LEU HA . . 4.630 3.814 3.623 4.213 . 0 0 "[ . 1 . 2]" 1
485 1 98 LEU HA 1 99 PHE QD . . 3.940 4.492 4.038 4.737 0.797 10 15 "[***** *- + **** * **]" 1
486 1 80 PHE HA 1 82 ASN H . . 4.280 3.606 3.230 3.867 . 0 0 "[ . 1 . 2]" 1
487 1 145 ASP HA 1 147 ARG H . . 4.750 4.412 4.174 4.710 . 0 0 "[ . 1 . 2]" 1
488 1 145 ASP HA 1 148 ALA H . . 4.330 3.245 2.953 3.786 . 0 0 "[ . 1 . 2]" 1
489 1 53 SER HA 1 54 VAL QG . . 4.170 3.743 3.317 4.531 0.361 19 0 "[ . 1 . 2]" 1
490 1 142 ALA MB 1 143 ASP HA . . 4.600 4.002 3.741 4.201 . 0 0 "[ . 1 . 2]" 1
491 1 150 GLN HA 1 150 GLN HE22 . . 4.330 3.569 3.232 4.305 . 0 0 "[ . 1 . 2]" 1
492 1 43 LEU HA 1 46 LEU H . . 4.330 3.552 3.167 3.899 . 0 0 "[ . 1 . 2]" 1
493 1 116 LEU HA 1 119 VAL HB . . 3.150 2.591 2.002 3.490 0.340 15 0 "[ . 1 . 2]" 1
494 1 70 LEU HA 1 106 LEU MD2 . . 3.890 3.450 2.952 4.323 0.433 5 0 "[ . 1 . 2]" 1
495 1 89 PHE QD 1 90 LEU HA . . 4.500 3.972 3.848 4.111 . 0 0 "[ . 1 . 2]" 1
496 1 2 MET HA 1 5 LEU H . . 4.760 3.559 3.075 5.247 0.487 1 0 "[ . 1 . 2]" 1
497 1 22 MET HA 1 22 MET QG . . 3.880 3.118 2.480 3.270 . 0 0 "[ . 1 . 2]" 1
498 1 21 GLU HA 1 21 GLU HG2 . . 3.710 3.221 2.649 3.895 0.185 5 0 "[ . 1 . 2]" 1
499 1 153 ARG HA 1 153 ARG QD . . 3.960 3.562 2.042 4.548 0.588 15 1 "[ . 1 + 2]" 1
500 1 22 MET HA 1 23 LYS H . . 3.560 2.272 2.175 2.345 . 0 0 "[ . 1 . 2]" 1
501 1 135 ALA HA 1 139 GLN H . . 4.890 4.700 4.123 5.426 0.536 8 1 "[ . + 1 . 2]" 1
502 1 134 TRP QB 1 135 ALA HA . . 4.490 4.065 3.767 4.331 . 0 0 "[ . 1 . 2]" 1
503 1 73 ALA HA 1 102 VAL MG1 . . 4.090 2.222 1.927 2.504 . 0 0 "[ . 1 . 2]" 1
504 1 99 PHE HA 1 99 PHE QD . . 3.740 3.136 2.765 3.349 . 0 0 "[ . 1 . 2]" 1
505 1 4 ASN HA 1 7 HIS QB . . 3.990 2.834 2.241 3.538 . 0 0 "[ . 1 . 2]" 1
506 1 4 ASN HA 1 7 HIS HD2 . . 4.630 3.995 2.158 5.216 0.586 18 2 "[ . 1 .- + 2]" 1
507 1 117 LEU HA 1 121 GLN HA . . 5.050 5.090 4.658 5.501 0.451 6 0 "[ . 1 . 2]" 1
508 1 120 GLU H 1 121 GLN HA . . 4.840 5.193 5.050 5.351 0.511 13 1 "[ . 1 + . 2]" 1
509 1 123 MET HA 1 124 PRO HD2 . . 3.410 2.584 2.227 3.132 . 0 0 "[ . 1 . 2]" 1
510 1 123 MET HA 1 124 PRO HD3 . . 3.410 2.125 1.865 2.361 . 0 0 "[ . 1 . 2]" 1
511 1 92 ALA HA 1 94 GLN QG . . 4.660 5.061 4.424 5.332 0.672 19 11 "[-* **** 1 * ** *+2]" 1
512 1 91 THR MG 1 92 ALA HA . . 4.580 3.640 3.288 3.962 . 0 0 "[ . 1 . 2]" 1
513 1 54 VAL HA 1 55 PRO HD2 . . 3.250 2.584 2.147 2.859 . 0 0 "[ . 1 . 2]" 1
514 1 125 VAL HA 1 127 PRO HD2 . . 4.340 4.463 2.719 4.921 0.581 2 5 "[*+ . -1 * . *]" 1
515 1 54 VAL HA 1 55 PRO HD3 . . 3.250 2.332 1.930 2.846 . 0 0 "[ . 1 . 2]" 1
516 1 125 VAL HA 1 127 PRO HD3 . . 4.340 3.509 3.017 4.550 0.210 11 0 "[ . 1 . 2]" 1
517 1 123 MET QG 1 124 PRO HD3 . . 4.080 3.920 2.993 4.485 0.405 17 0 "[ . 1 . 2]" 1
518 1 12 GLY HA2 1 14 VAL H . . 4.980 4.685 4.504 4.847 . 0 0 "[ . 1 . 2]" 1
519 1 12 GLY HA2 1 36 VAL MG1 . . 4.150 2.401 2.137 2.982 . 0 0 "[ . 1 . 2]" 1
520 1 12 GLY HA3 1 14 VAL H . . 4.980 4.863 4.596 5.036 0.056 3 0 "[ . 1 . 2]" 1
521 1 12 GLY HA3 1 15 ILE HB . . 4.660 3.933 3.689 4.282 . 0 0 "[ . 1 . 2]" 1
522 1 12 GLY HA3 1 36 VAL MG1 . . 4.150 2.613 2.396 2.968 . 0 0 "[ . 1 . 2]" 1
523 1 75 GLY HA2 1 78 GLU QB . . 4.370 2.370 2.158 2.683 . 0 0 "[ . 1 . 2]" 1
524 1 75 GLY HA3 1 78 GLU QB . . 4.370 3.797 3.611 4.077 . 0 0 "[ . 1 . 2]" 1
525 1 38 GLY QA 1 41 LYS H . . 4.140 4.011 3.557 4.310 0.170 1 0 "[ . 1 . 2]" 1
526 1 15 ILE HA 1 18 ARG QD . . 3.090 3.118 2.678 3.480 0.390 9 0 "[ . 1 . 2]" 1
527 1 18 ARG H 1 18 ARG QD . . 5.070 4.055 3.450 4.394 . 0 0 "[ . 1 . 2]" 1
528 1 122 ARG HA 1 122 ARG QD . . 3.930 3.499 2.017 4.282 0.352 17 0 "[ . 1 . 2]" 1
529 1 154 ARG HB2 1 154 ARG QD . . 3.610 2.679 2.252 3.474 . 0 0 "[ . 1 . 2]" 1
530 1 31 ARG HA 1 31 ARG QD . . 4.850 3.475 1.857 4.544 . 0 0 "[ . 1 . 2]" 1
531 1 104 ARG HD2 1 105 LYS H . . 5.090 4.580 3.669 5.662 0.572 10 2 "[ . + . -]" 1
532 1 104 ARG HD3 1 105 LYS H . . 5.090 4.718 2.739 5.865 0.775 1 5 "[+ .** 1* . -2]" 1
533 1 116 LEU H 1 116 LEU HB2 . . 4.070 3.678 3.639 3.732 . 0 0 "[ . 1 . 2]" 1
534 1 98 LEU HB2 1 99 PHE H . . 4.420 3.302 2.249 3.871 . 0 0 "[ . 1 . 2]" 1
535 1 98 LEU HB2 1 99 PHE QD . . 4.440 3.204 1.807 4.093 . 0 0 "[ . 1 . 2]" 1
536 1 98 LEU HB3 1 99 PHE H . . 4.420 2.995 2.558 3.729 . 0 0 "[ . 1 . 2]" 1
537 1 106 LEU H 1 106 LEU HB2 . . 3.850 2.405 2.298 2.512 . 0 0 "[ . 1 . 2]" 1
538 1 152 LEU H 1 152 LEU HB2 . . 4.190 2.754 2.258 3.532 . 0 0 "[ . 1 . 2]" 1
539 1 152 LEU H 1 152 LEU HB3 . . 4.190 3.015 2.419 4.093 . 0 0 "[ . 1 . 2]" 1
540 1 113 LEU H 1 113 LEU HB3 . . 3.760 2.779 2.399 3.414 . 0 0 "[ . 1 . 2]" 1
541 1 110 TRP HA 1 113 LEU HB3 . . 4.560 2.602 2.017 3.544 . 0 0 "[ . 1 . 2]" 1
542 1 17 LYS HA 1 17 LYS QE . . 3.450 3.595 1.922 3.957 0.507 16 2 "[ . - 1 .+ 2]" 1
543 1 6 LYS HA 1 6 LYS QE . . 3.460 3.791 2.539 4.007 0.547 6 6 "[ .+ *1 * -**2]" 1
544 1 46 LEU H 1 46 LEU HB2 . . 3.650 2.933 2.383 3.692 0.042 17 0 "[ . 1 . 2]" 1
545 1 11 LEU H 1 11 LEU HB2 . . 3.740 2.471 2.426 2.545 . 0 0 "[ . 1 . 2]" 1
546 1 46 LEU H 1 46 LEU HB3 . . 3.650 3.259 2.616 3.671 0.021 19 0 "[ . 1 . 2]" 1
547 1 11 LEU H 1 11 LEU HB3 . . 3.740 3.615 3.585 3.645 . 0 0 "[ . 1 . 2]" 1
548 1 110 TRP HA 1 113 LEU HB2 . . 4.560 2.827 1.918 3.592 . 0 0 "[ . 1 . 2]" 1
549 1 114 SER HA 1 117 LEU HB3 . . 5.030 4.005 3.486 4.404 . 0 0 "[ . 1 . 2]" 1
550 1 39 LEU HB3 1 40 ILE H . . 4.700 3.348 2.459 3.798 . 0 0 "[ . 1 . 2]" 1
551 1 79 LYS H 1 79 LYS HE2 . . 5.190 4.557 3.559 5.457 0.267 20 0 "[ . 1 . 2]" 1
552 1 79 LYS H 1 79 LYS HE3 . . 5.190 4.895 3.518 5.647 0.457 13 0 "[ . 1 . 2]" 1
553 1 37 LEU H 1 37 LEU HB2 . . 3.690 2.445 2.284 2.563 . 0 0 "[ . 1 . 2]" 1
554 1 37 LEU H 1 37 LEU HB3 . . 3.690 3.528 2.647 3.656 . 0 0 "[ . 1 . 2]" 1
555 1 138 ASP HB3 1 139 GLN H . . 4.480 3.462 3.064 3.767 . 0 0 "[ . 1 . 2]" 1
556 1 43 LEU HB2 1 44 GLU H . . 4.820 3.046 2.764 3.275 . 0 0 "[ . 1 . 2]" 1
557 1 71 GLU HA 1 74 ASN HB3 . . 4.430 2.728 2.267 3.165 . 0 0 "[ . 1 . 2]" 1
558 1 40 ILE HB 1 41 LYS H . . 4.050 3.925 3.754 4.110 0.060 20 0 "[ . 1 . 2]" 1
559 1 8 ILE HB 1 9 ILE H . . 4.250 2.487 2.358 2.651 . 0 0 "[ . 1 . 2]" 1
560 1 6 LYS HA 1 9 ILE HB . . 3.800 3.043 2.459 3.455 . 0 0 "[ . 1 . 2]" 1
561 1 128 ILE H 1 128 ILE HB . . 3.670 3.341 2.632 3.825 0.155 15 0 "[ . 1 . 2]" 1
562 1 103 ASN H 1 103 ASN HB2 . . 4.090 2.552 2.377 2.865 . 0 0 "[ . 1 . 2]" 1
563 1 4 ASN QB 1 5 LEU H . . 4.450 2.564 2.187 3.282 . 0 0 "[ . 1 . 2]" 1
564 1 40 ILE HB 1 40 ILE MD . . 3.460 2.565 2.511 2.605 . 0 0 "[ . 1 . 2]" 1
565 1 44 GLU H 1 44 GLU HG3 . . 4.000 2.698 2.267 3.978 . 0 0 "[ . 1 . 2]" 1
566 1 40 ILE HB 1 41 LYS HA . . 4.670 4.473 4.345 4.733 0.063 13 0 "[ . 1 . 2]" 1
567 1 77 ILE H 1 77 ILE HB . . 3.610 3.694 3.667 3.730 0.120 16 0 "[ . 1 . 2]" 1
568 1 97 ILE HB 1 100 LYS H . . 4.920 3.103 2.719 3.653 . 0 0 "[ . 1 . 2]" 1
569 1 64 ASN HB2 1 65 ARG HA . . 4.680 4.544 4.429 4.655 . 0 0 "[ . 1 . 2]" 1
570 1 64 ASN HB3 1 65 ARG HA . . 4.680 4.450 4.156 4.663 . 0 0 "[ . 1 . 2]" 1
571 1 71 GLU HA 1 71 GLU HG3 . . 3.770 3.294 2.958 3.879 0.109 15 0 "[ . 1 . 2]" 1
572 1 86 ILE HB 1 149 PHE QE . . 4.490 2.642 2.050 3.273 . 0 0 "[ . 1 . 2]" 1
573 1 12 GLY HA2 1 15 ILE HB . . 4.660 2.411 2.156 2.783 . 0 0 "[ . 1 . 2]" 1
574 1 80 PHE HB2 1 86 ILE MD . . 5.070 3.779 3.517 4.033 . 0 0 "[ . 1 . 2]" 1
575 1 80 PHE HB3 1 86 ILE MD . . 5.070 2.250 1.971 2.549 . 0 0 "[ . 1 . 2]" 1
576 1 71 GLU HA 1 71 GLU HG2 . . 3.770 2.670 2.477 3.187 . 0 0 "[ . 1 . 2]" 1
577 1 120 GLU HA 1 120 GLU HG3 . . 4.010 3.399 2.502 3.870 . 0 0 "[ . 1 . 2]" 1
578 1 112 GLU HA 1 112 GLU HG2 . . 3.540 2.730 2.455 3.402 . 0 0 "[ . 1 . 2]" 1
579 1 3 GLU H 1 4 ASN H . . 3.500 2.777 2.444 3.980 0.480 6 0 "[ . 1 . 2]" 1
580 1 3 GLU HA 1 4 ASN H . . 3.500 3.551 3.454 3.625 0.125 18 0 "[ . 1 . 2]" 1
581 1 3 GLU HB2 1 4 ASN H . . 3.900 3.422 2.347 4.064 0.164 13 0 "[ . 1 . 2]" 1
582 1 3 GLU HB3 1 4 ASN H . . 3.900 2.998 1.983 4.059 0.159 11 0 "[ . 1 . 2]" 1
583 1 21 GLU HA 1 21 GLU HG3 . . 3.710 3.696 2.680 3.835 0.125 13 0 "[ . 1 . 2]" 1
584 1 137 GLU H 1 137 GLU HG3 . . 4.200 2.966 2.203 4.404 0.204 1 0 "[ . 1 . 2]" 1
585 1 112 GLU H 1 112 GLU HG3 . . 4.060 2.461 1.939 3.729 . 0 0 "[ . 1 . 2]" 1
586 1 112 GLU HA 1 112 GLU HG3 . . 3.540 3.295 3.036 3.843 0.303 2 0 "[ . 1 . 2]" 1
587 1 20 GLU H 1 20 GLU HG2 . . 3.560 2.906 2.023 3.813 0.253 9 0 "[ . 1 . 2]" 1
588 1 20 GLU H 1 20 GLU HG3 . . 3.560 2.940 2.040 3.709 0.149 20 0 "[ . 1 . 2]" 1
589 1 139 GLN HA 1 139 GLN HG2 . . 3.960 3.585 3.142 4.212 0.252 14 0 "[ . 1 . 2]" 1
590 1 139 GLN HA 1 139 GLN HG3 . . 3.960 3.269 2.567 3.872 . 0 0 "[ . 1 . 2]" 1
591 1 47 GLN HA 1 47 GLN QG . . 3.230 2.567 2.457 2.755 . 0 0 "[ . 1 . 2]" 1
592 1 118 GLN HA 1 118 GLN HG3 . . 3.950 3.580 2.532 3.865 . 0 0 "[ . 1 . 2]" 1
593 1 117 LEU MD1 1 123 MET HB2 . . 5.000 3.922 3.163 5.195 0.195 1 0 "[ . 1 . 2]" 1
594 1 19 CYS HA 1 22 MET QG . . 4.310 3.034 2.534 4.757 0.447 5 0 "[ . 1 . 2]" 1
595 1 63 MET HA 1 63 MET QG . . 3.420 2.903 2.635 3.002 . 0 0 "[ . 1 . 2]" 1
596 1 110 TRP HZ2 1 125 VAL HB . . 4.850 4.684 3.082 5.476 0.626 20 5 "[* * . * 1 - . +]" 1
597 1 100 LYS H 1 100 LYS HB2 . . 3.860 2.597 2.252 3.662 . 0 0 "[ . 1 . 2]" 1
598 1 51 LYS HB2 1 51 LYS QE . . 4.920 3.525 2.084 4.339 . 0 0 "[ . 1 . 2]" 1
599 1 119 VAL H 1 119 VAL HB . . 3.370 2.495 2.369 2.625 . 0 0 "[ . 1 . 2]" 1
600 1 119 VAL HB 1 120 GLU H . . 4.250 2.475 2.320 2.773 . 0 0 "[ . 1 . 2]" 1
601 1 51 LYS HB3 1 51 LYS QE . . 4.920 3.881 2.757 4.625 . 0 0 "[ . 1 . 2]" 1
602 1 45 MET H 1 45 MET HG2 . . 3.830 2.574 2.152 3.454 . 0 0 "[ . 1 . 2]" 1
603 1 151 MET HA 1 151 MET HG2 . . 3.680 3.040 2.439 3.852 0.172 16 0 "[ . 1 . 2]" 1
604 1 151 MET HA 1 151 MET HG3 . . 3.680 3.086 2.573 3.945 0.265 8 0 "[ . 1 . 2]" 1
605 1 45 MET H 1 45 MET HG3 . . 3.830 3.339 2.095 3.792 . 0 0 "[ . 1 . 2]" 1
606 1 2 MET QB 1 5 LEU H . . 4.570 4.714 3.591 5.176 0.606 18 5 "[ -.*** 1 . + 2]" 1
607 1 99 PHE HA 1 102 VAL HB . . 4.090 3.269 2.351 3.921 . 0 0 "[ . 1 . 2]" 1
608 1 99 PHE QD 1 102 VAL HB . . 4.730 3.020 2.080 3.757 . 0 0 "[ . 1 . 2]" 1
609 1 111 LYS H 1 111 LYS HB2 . . 3.610 2.898 2.385 3.725 0.115 3 0 "[ . 1 . 2]" 1
610 1 111 LYS H 1 111 LYS HB3 . . 3.610 3.269 2.358 3.653 0.043 2 0 "[ . 1 . 2]" 1
611 1 111 LYS HB3 1 111 LYS QE . . 4.070 2.847 2.007 4.251 0.181 4 0 "[ . 1 . 2]" 1
612 1 111 LYS HB3 1 112 GLU H . . 4.000 3.497 2.899 4.193 0.193 17 0 "[ . 1 . 2]" 1
613 1 14 VAL HA 1 17 LYS QB . . 3.140 2.356 1.924 2.642 . 0 0 "[ . 1 . 2]" 1
614 1 79 LYS H 1 79 LYS HB2 . . 3.790 2.648 2.323 3.697 . 0 0 "[ . 1 . 2]" 1
615 1 79 LYS H 1 79 LYS HB3 . . 3.790 3.100 2.310 3.684 . 0 0 "[ . 1 . 2]" 1
616 1 123 MET HA 1 123 MET QG . . 3.600 2.523 2.417 3.390 . 0 0 "[ . 1 . 2]" 1
617 1 123 MET QG 1 124 PRO HD2 . . 4.080 3.439 2.404 4.396 0.316 2 0 "[ . 1 . 2]" 1
618 1 106 LEU HA 1 109 VAL HB . . 3.170 3.319 2.865 3.572 0.402 14 0 "[ . 1 . 2]" 1
619 1 66 PHE QD 1 109 VAL HB . . 4.250 2.812 2.052 4.276 0.026 19 0 "[ . 1 . 2]" 1
620 1 127 PRO QB 1 128 ILE H . . 4.590 3.760 2.376 4.065 . 0 0 "[ . 1 . 2]" 1
621 1 36 VAL HB 1 40 ILE MD . . 3.340 4.327 4.196 4.395 1.055 10 20 [*********+******-***] 1
622 1 111 LYS HB2 1 111 LYS QE . . 4.070 2.740 2.007 4.110 0.040 1 0 "[ . 1 . 2]" 1
623 1 111 LYS HB2 1 112 GLU H . . 4.000 2.870 2.180 4.086 0.086 9 0 "[ . 1 . 2]" 1
624 1 10 THR MG 1 14 VAL HB . . 3.580 3.928 3.649 4.078 0.498 6 0 "[ . 1 . 2]" 1
625 1 42 PRO HB3 1 43 LEU H . . 4.450 4.026 3.767 4.235 . 0 0 "[ . 1 . 2]" 1
626 1 154 ARG HB3 1 154 ARG QD . . 3.610 2.799 2.311 3.554 . 0 0 "[ . 1 . 2]" 1
627 1 7 HIS QB 1 8 ILE H . . 3.850 2.638 2.362 2.955 . 0 0 "[ . 1 . 2]" 1
628 1 34 HIS H 1 34 HIS HB3 . . 3.560 2.634 2.347 3.635 0.075 12 0 "[ . 1 . 2]" 1
629 1 21 GLU H 1 21 GLU HB3 . . 3.670 3.362 2.446 3.660 . 0 0 "[ . 1 . 2]" 1
630 1 8 ILE H 1 8 ILE HG12 . . 4.290 3.535 3.192 3.687 . 0 0 "[ . 1 . 2]" 1
631 1 16 HIS QB 1 36 VAL HB . . 5.030 3.673 2.906 4.370 . 0 0 "[ . 1 . 2]" 1
632 1 16 HIS QB 1 37 LEU HG . . 4.550 3.705 2.990 5.116 0.566 4 2 "[ - +. 1 . 2]" 1
633 1 15 ILE HB 1 16 HIS QB . . 4.410 4.138 3.950 4.301 . 0 0 "[ . 1 . 2]" 1
634 1 137 GLU H 1 137 GLU HB2 . . 3.810 2.588 2.303 3.648 . 0 0 "[ . 1 . 2]" 1
635 1 144 GLU HA 1 147 ARG QB . . 3.190 2.759 2.152 3.386 0.196 2 0 "[ . 1 . 2]" 1
636 1 9 ILE H 1 9 ILE HG12 . . 4.530 2.810 2.166 4.013 . 0 0 "[ . 1 . 2]" 1
637 1 9 ILE H 1 9 ILE HG13 . . 4.530 3.553 2.294 3.940 . 0 0 "[ . 1 . 2]" 1
638 1 9 ILE HA 1 9 ILE HG13 . . 4.090 3.361 2.446 3.774 . 0 0 "[ . 1 . 2]" 1
639 1 110 TRP H 1 110 TRP HB2 . . 3.840 2.735 2.608 2.885 . 0 0 "[ . 1 . 2]" 1
640 1 107 SER HA 1 110 TRP HB2 . . 5.020 3.984 3.434 4.595 . 0 0 "[ . 1 . 2]" 1
641 1 110 TRP H 1 110 TRP HB3 . . 3.840 2.485 2.383 2.568 . 0 0 "[ . 1 . 2]" 1
642 1 107 SER HA 1 110 TRP HB3 . . 5.020 2.789 2.262 3.222 . 0 0 "[ . 1 . 2]" 1
643 1 72 GLU QB 1 73 ALA H . . 3.720 2.511 2.335 2.691 . 0 0 "[ . 1 . 2]" 1
644 1 44 GLU H 1 44 GLU HB3 . . 3.930 3.576 2.661 3.652 . 0 0 "[ . 1 . 2]" 1
645 1 47 GLN H 1 47 GLN HB3 . . 3.330 2.487 2.278 2.829 . 0 0 "[ . 1 . 2]" 1
646 1 104 ARG H 1 104 ARG HB3 . . 3.350 2.541 2.267 2.735 . 0 0 "[ . 1 . 2]" 1
647 1 41 LYS QB 1 41 LYS QE . . 4.370 3.147 1.978 3.930 . 0 0 "[ . 1 . 2]" 1
648 1 41 LYS QB 1 42 PRO HD2 . . 3.440 2.966 2.642 3.369 . 0 0 "[ . 1 . 2]" 1
649 1 100 LYS H 1 100 LYS QD . . 4.970 4.533 3.747 4.869 . 0 0 "[ . 1 . 2]" 1
650 1 111 LYS H 1 111 LYS QD . . 3.580 3.806 3.361 4.220 0.640 2 3 "[ + . 1 . - *]" 1
651 1 111 LYS HA 1 111 LYS QD . . 4.560 4.310 4.099 4.588 0.028 13 0 "[ . 1 . 2]" 1
652 1 16 HIS QB 1 17 LYS QD . . 3.840 3.284 2.747 4.399 0.559 1 1 "[+ . 1 . 2]" 1
653 1 23 LYS H 1 23 LYS QD . . 4.870 4.306 2.639 4.896 0.026 10 0 "[ . 1 . 2]" 1
654 1 71 GLU H 1 71 GLU HB2 . . 4.050 2.523 2.398 2.616 . 0 0 "[ . 1 . 2]" 1
655 1 47 GLN H 1 47 GLN HB2 . . 3.330 2.588 2.276 2.805 . 0 0 "[ . 1 . 2]" 1
656 1 150 GLN HA 1 150 GLN QB . . 2.660 2.412 2.366 2.508 . 0 0 "[ . 1 . 2]" 1
657 1 71 GLU H 1 71 GLU HB3 . . 4.050 3.650 3.617 3.682 . 0 0 "[ . 1 . 2]" 1
658 1 147 ARG H 1 147 ARG HG2 . . 4.840 4.109 2.124 4.644 . 0 0 "[ . 1 . 2]" 1
659 1 102 VAL HA 1 105 LYS QD . . 3.920 2.640 1.853 4.141 0.221 4 0 "[ . 1 . 2]" 1
660 1 17 LYS QD 1 18 ARG H . . 4.520 4.609 4.353 5.120 0.600 9 1 "[ . +1 . 2]" 1
661 1 17 LYS HA 1 17 LYS QD . . 3.930 2.406 1.905 3.259 . 0 0 "[ . 1 . 2]" 1
662 1 23 LYS QD 1 24 TYR H . . 4.530 4.372 3.183 5.098 0.568 20 4 "[ *. 1 * - +]" 1
663 1 77 ILE H 1 77 ILE HG13 . . 4.300 3.157 2.804 3.316 . 0 0 "[ . 1 . 2]" 1
664 1 65 ARG HA 1 65 ARG HG2 . . 3.870 2.783 2.535 3.721 . 0 0 "[ . 1 . 2]" 1
665 1 65 ARG HA 1 65 ARG HG3 . . 3.870 3.017 2.569 3.258 . 0 0 "[ . 1 . 2]" 1
666 1 41 LYS HA 1 41 LYS QD . . 3.590 3.111 2.020 4.094 0.504 15 1 "[ . 1 + 2]" 1
667 1 147 ARG H 1 147 ARG HG3 . . 4.840 4.052 2.320 4.618 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU MD1 1 77 ILE HG12 . . 6.350 5.338 3.918 5.784 . 0 0 "[ . 1 . 2]" 1
669 1 18 ARG H 1 18 ARG HG2 . . 4.040 2.267 2.024 2.529 . 0 0 "[ . 1 . 2]" 1
670 1 37 LEU H 1 40 ILE QG . . 4.680 4.192 4.056 4.341 . 0 0 "[ . 1 . 2]" 1
671 1 59 LEU H 1 59 LEU HG . . 4.920 4.254 2.528 4.639 . 0 0 "[ . 1 . 2]" 1
672 1 11 LEU HG 1 12 GLY H . . 4.930 4.448 4.232 4.560 . 0 0 "[ . 1 . 2]" 1
673 1 128 ILE H 1 128 ILE HG13 . . 4.610 4.494 2.701 4.872 0.262 17 0 "[ . 1 . 2]" 1
674 1 127 PRO QG 1 128 ILE H . . 4.540 3.435 2.515 4.184 . 0 0 "[ . 1 . 2]" 1
675 1 40 ILE H 1 40 ILE QG . . 4.460 2.045 1.942 2.143 . 0 0 "[ . 1 . 2]" 1
676 1 59 LEU HG 1 60 THR H . . 5.090 4.492 3.462 5.130 0.040 4 0 "[ . 1 . 2]" 1
677 1 122 ARG HA 1 122 ARG QG . . 3.350 2.615 2.331 3.172 . 0 0 "[ . 1 . 2]" 1
678 1 11 LEU H 1 11 LEU HG . . 4.650 2.408 2.215 2.541 . 0 0 "[ . 1 . 2]" 1
679 1 70 LEU H 1 70 LEU MD2 . . 4.320 3.108 2.215 4.048 . 0 0 "[ . 1 . 2]" 1
680 1 66 PHE QE 1 70 LEU MD2 . . 4.480 3.740 2.600 4.519 0.039 9 0 "[ . 1 . 2]" 1
681 1 70 LEU HA 1 70 LEU MD2 . . 4.680 2.350 2.007 3.812 . 0 0 "[ . 1 . 2]" 1
682 1 106 LEU H 1 106 LEU HG . . 3.900 3.694 2.417 4.162 0.262 13 0 "[ . 1 . 2]" 1
683 1 90 LEU HG 1 91 THR H . . 4.600 4.311 3.978 4.696 0.096 6 0 "[ . 1 . 2]" 1
684 1 90 LEU H 1 90 LEU HG . . 4.800 4.596 4.552 4.637 . 0 0 "[ . 1 . 2]" 1
685 1 117 LEU H 1 117 LEU HG . . 4.050 2.645 2.381 4.387 0.337 7 0 "[ . 1 . 2]" 1
686 1 115 LEU H 1 115 LEU HG . . 3.920 2.510 2.342 2.765 . 0 0 "[ . 1 . 2]" 1
687 1 113 LEU H 1 113 LEU HG . . 5.260 4.456 4.076 4.590 . 0 0 "[ . 1 . 2]" 1
688 1 39 LEU H 1 39 LEU HG . . 4.780 3.227 2.446 4.638 . 0 0 "[ . 1 . 2]" 1
689 1 37 LEU HA 1 37 LEU HG . . 3.880 3.020 2.564 3.270 . 0 0 "[ . 1 . 2]" 1
690 1 37 LEU H 1 37 LEU HG . . 5.130 2.896 2.260 4.573 . 0 0 "[ . 1 . 2]" 1
691 1 117 LEU H 1 117 LEU MD2 . . 4.440 3.490 3.085 3.858 . 0 0 "[ . 1 . 2]" 1
692 1 113 LEU H 1 113 LEU QD . . 3.840 3.602 2.762 3.832 . 0 0 "[ . 1 . 2]" 1
693 1 98 LEU H 1 98 LEU HG . . 4.560 3.995 2.309 4.575 0.015 14 0 "[ . 1 . 2]" 1
694 1 103 ASN HA 1 106 LEU MD1 . . 4.020 2.438 1.855 4.528 0.508 13 1 "[ . 1 + . 2]" 1
695 1 70 LEU HA 1 106 LEU MD1 . . 3.890 3.077 2.669 3.865 . 0 0 "[ . 1 . 2]" 1
696 1 66 PHE QD 1 113 LEU QD . . 3.860 2.659 2.246 2.949 . 0 0 "[ . 1 . 2]" 1
697 1 63 MET HA 1 113 LEU QD . . 3.420 2.788 2.322 3.445 0.025 19 0 "[ . 1 . 2]" 1
698 1 113 LEU HA 1 113 LEU QD . . 3.130 2.835 2.367 3.173 0.043 18 0 "[ . 1 . 2]" 1
699 1 41 LYS H 1 41 LYS QG . . 4.190 3.396 2.243 4.132 . 0 0 "[ . 1 . 2]" 1
700 1 27 LYS HA 1 27 LYS QG . . 3.570 2.673 2.405 3.049 . 0 0 "[ . 1 . 2]" 1
701 1 17 LYS HA 1 17 LYS HG2 . . 3.660 3.617 3.129 3.709 0.049 1 0 "[ . 1 . 2]" 1
702 1 27 LYS H 1 27 LYS QG . . 4.130 3.000 2.102 4.091 . 0 0 "[ . 1 . 2]" 1
703 1 17 LYS HA 1 17 LYS HG3 . . 3.660 2.728 2.409 3.769 0.109 10 0 "[ . 1 . 2]" 1
704 1 6 LYS QE 1 6 LYS QG . . 3.250 2.362 2.176 2.759 . 0 0 "[ . 1 . 2]" 1
705 1 23 LYS H 1 23 LYS HG2 . . 5.200 4.229 2.275 4.632 . 0 0 "[ . 1 . 2]" 1
706 1 23 LYS H 1 23 LYS HG3 . . 5.200 4.437 3.766 4.648 . 0 0 "[ . 1 . 2]" 1
707 1 32 LEU MD2 1 73 ALA HA . . 5.300 4.650 3.641 5.251 . 0 0 "[ . 1 . 2]" 1
708 1 100 LYS H 1 100 LYS HG3 . . 4.460 4.278 2.127 4.642 0.182 2 0 "[ . 1 . 2]" 1
709 1 46 LEU H 1 46 LEU MD2 . . 3.950 3.331 2.805 3.691 . 0 0 "[ . 1 . 2]" 1
710 1 98 LEU H 1 98 LEU QD . . 4.200 3.188 1.989 3.653 . 0 0 "[ . 1 . 2]" 1
711 1 98 LEU HA 1 98 LEU QD . . 3.760 2.164 1.864 2.532 . 0 0 "[ . 1 . 2]" 1
712 1 99 PHE HA 1 102 VAL MG2 . . 4.680 3.487 2.618 4.201 . 0 0 "[ . 1 . 2]" 1
713 1 117 LEU H 1 117 LEU MD1 . . 4.440 3.731 2.791 3.945 . 0 0 "[ . 1 . 2]" 1
714 1 16 HIS QB 1 37 LEU MD1 . . 3.640 3.528 1.967 4.117 0.477 13 0 "[ . 1 . 2]" 1
715 1 37 LEU H 1 37 LEU MD1 . . 4.290 3.551 2.314 4.072 . 0 0 "[ . 1 . 2]" 1
716 1 109 VAL H 1 109 VAL MG1 . . 4.120 3.822 3.801 3.861 . 0 0 "[ . 1 . 2]" 1
717 1 66 PHE HA 1 109 VAL MG1 . . 4.160 2.466 2.007 2.850 . 0 0 "[ . 1 . 2]" 1
718 1 66 PHE QD 1 109 VAL MG1 . . 4.110 2.747 2.316 3.182 . 0 0 "[ . 1 . 2]" 1
719 1 102 VAL H 1 102 VAL MG2 . . 3.920 2.035 1.962 2.119 . 0 0 "[ . 1 . 2]" 1
720 1 99 PHE QD 1 102 VAL MG2 . . 4.570 3.523 1.821 4.360 . 0 0 "[ . 1 . 2]" 1
721 1 73 ALA HA 1 102 VAL MG2 . . 4.090 3.489 2.701 4.217 0.127 13 0 "[ . 1 . 2]" 1
722 1 14 VAL HA 1 14 VAL MG2 . . 3.470 2.402 2.315 2.482 . 0 0 "[ . 1 . 2]" 1
723 1 36 VAL MG2 1 37 LEU H . . 3.860 3.985 3.862 4.077 0.217 8 0 "[ . 1 . 2]" 1
724 1 66 PHE QE 1 70 LEU MD1 . . 4.480 3.960 2.974 4.828 0.348 1 0 "[ . 1 . 2]" 1
725 1 70 LEU HA 1 70 LEU MD1 . . 4.680 3.230 2.075 3.919 . 0 0 "[ . 1 . 2]" 1
726 1 89 PHE HZ 1 98 LEU QD . . 3.920 2.085 1.820 2.425 . 0 0 "[ . 1 . 2]" 1
727 1 66 PHE H 1 109 VAL MG2 . . 4.430 4.026 3.700 4.509 0.079 8 0 "[ . 1 . 2]" 1
728 1 116 LEU MD1 1 117 LEU H . . 4.340 2.479 2.180 2.749 . 0 0 "[ . 1 . 2]" 1
729 1 32 LEU H 1 32 LEU MD1 . . 4.480 4.223 4.113 4.419 . 0 0 "[ . 1 . 2]" 1
730 1 37 LEU H 1 37 LEU MD2 . . 4.290 3.562 3.064 4.353 0.063 2 0 "[ . 1 . 2]" 1
731 1 16 HIS QB 1 37 LEU MD2 . . 3.640 3.037 2.361 4.042 0.402 2 0 "[ . 1 . 2]" 1
732 1 60 THR MG 1 64 ASN HD22 . . 3.830 2.069 1.821 2.427 . 0 0 "[ . 1 . 2]" 1
733 1 109 VAL MG2 1 110 TRP H . . 4.600 3.973 3.768 4.214 . 0 0 "[ . 1 . 2]" 1
734 1 66 PHE QD 1 109 VAL MG2 . . 4.110 3.910 3.396 4.614 0.504 19 1 "[ . 1 . +2]" 1
735 1 66 PHE HA 1 109 VAL MG2 . . 4.160 3.372 2.945 3.664 . 0 0 "[ . 1 . 2]" 1
736 1 119 VAL HA 1 119 VAL MG1 . . 3.680 2.521 2.418 2.647 . 0 0 "[ . 1 . 2]" 1
737 1 61 THR H 1 61 THR MG . . 3.570 3.809 3.779 3.831 0.261 16 0 "[ . 1 . 2]" 1
738 1 61 THR MG 1 62 ALA H . . 3.840 3.529 3.292 3.774 . 0 0 "[ . 1 . 2]" 1
739 1 88 ARG HA 1 91 THR MG . . 3.170 2.833 2.606 3.078 . 0 0 "[ . 1 . 2]" 1
740 1 61 THR MG 1 65 ARG QD . . 3.640 2.731 2.010 3.838 0.198 10 0 "[ . 1 . 2]" 1
741 1 10 THR MG 1 11 LEU HG . . 3.710 4.042 3.465 4.207 0.497 15 0 "[ . 1 . 2]" 1
742 1 99 PHE QD 1 102 VAL MG1 . . 4.570 2.927 2.264 3.916 . 0 0 "[ . 1 . 2]" 1
743 1 54 VAL HA 1 54 VAL QG . . 3.120 2.230 2.180 2.392 . 0 0 "[ . 1 . 2]" 1
744 1 119 VAL HA 1 119 VAL MG2 . . 3.680 2.406 2.337 2.500 . 0 0 "[ . 1 . 2]" 1
745 1 125 VAL HA 1 125 VAL MG2 . . 3.500 2.665 2.329 3.284 . 0 0 "[ . 1 . 2]" 1
746 1 14 VAL HA 1 14 VAL MG1 . . 3.470 2.532 2.421 2.645 . 0 0 "[ . 1 . 2]" 1
747 1 88 ARG QD 1 92 ALA MB . . 5.030 5.018 4.163 5.631 0.601 7 3 "[ . + 1 . * -2]" 1
748 1 92 ALA H 1 92 ALA MB . . 3.330 2.314 2.238 2.459 . 0 0 "[ . 1 . 2]" 1
749 1 88 ARG HA 1 92 ALA MB . . 4.930 5.235 4.623 5.594 0.664 6 5 "[* *-+ 1* . 2]" 1
750 1 92 ALA MB 1 93 SER QB . . 4.620 4.179 3.558 4.846 0.226 14 0 "[ . 1 . 2]" 1
751 1 91 THR MG 1 92 ALA MB . . 3.700 2.895 2.597 3.094 . 0 0 "[ . 1 . 2]" 1
752 1 142 ALA H 1 142 ALA MB . . 3.290 2.259 2.138 2.360 . 0 0 "[ . 1 . 2]" 1
753 1 142 ALA MB 1 143 ASP H . . 3.540 2.741 2.140 2.979 . 0 0 "[ . 1 . 2]" 1
754 1 97 ILE H 1 97 ILE MG . . 4.130 3.858 3.779 3.975 . 0 0 "[ . 1 . 2]" 1
755 1 148 ALA H 1 148 ALA MB . . 3.100 2.273 2.241 2.304 . 0 0 "[ . 1 . 2]" 1
756 1 145 ASP HA 1 148 ALA MB . . 3.620 2.414 1.983 2.817 . 0 0 "[ . 1 . 2]" 1
757 1 62 ALA MB 1 65 ARG QD . . 4.870 3.836 3.378 4.204 . 0 0 "[ . 1 . 2]" 1
758 1 62 ALA MB 1 63 MET H . . 3.850 2.487 2.336 2.644 . 0 0 "[ . 1 . 2]" 1
759 1 40 ILE H 1 40 ILE MG . . 3.540 2.484 2.377 2.589 . 0 0 "[ . 1 . 2]" 1
760 1 9 ILE HA 1 40 ILE MG . . 3.560 2.758 2.277 3.133 . 0 0 "[ . 1 . 2]" 1
761 1 40 ILE MD 1 40 ILE MG . . 3.220 2.020 1.994 2.038 . 0 0 "[ . 1 . 2]" 1
762 1 22 MET HA 1 22 MET ME . . 4.890 3.710 3.099 4.106 . 0 0 "[ . 1 . 2]" 1
763 1 22 MET ME 1 77 ILE HA . . 4.030 2.446 2.155 2.742 . 0 0 "[ . 1 . 2]" 1
764 1 22 MET ME 1 22 MET QG . . 3.450 2.214 2.172 2.360 . 0 0 "[ . 1 . 2]" 1
765 1 22 MET ME 1 77 ILE MG . . 3.420 1.949 1.773 2.203 . 0 0 "[ . 1 . 2]" 1
766 1 135 ALA MB 1 136 GLN HA . . 3.830 3.949 3.761 4.222 0.392 13 0 "[ . 1 . 2]" 1
767 1 77 ILE MG 1 78 GLU H . . 4.460 4.338 4.265 4.499 0.039 9 0 "[ . 1 . 2]" 1
768 1 8 ILE MG 1 66 PHE QE . . 3.500 2.820 2.333 4.137 0.637 1 1 "[+ . 1 . 2]" 1
769 1 8 ILE MD 1 8 ILE MG . . 3.780 2.026 1.991 2.073 . 0 0 "[ . 1 . 2]" 1
770 1 86 ILE MD 1 86 ILE MG . . 3.780 1.952 1.907 1.987 . 0 0 "[ . 1 . 2]" 1
771 1 123 MET HB2 1 123 MET ME . . 3.640 2.334 1.983 2.875 . 0 0 "[ . 1 . 2]" 1
772 1 123 MET HB3 1 123 MET ME . . 3.640 2.476 1.923 3.133 . 0 0 "[ . 1 . 2]" 1
773 1 123 MET HA 1 123 MET ME . . 4.080 4.102 3.854 4.442 0.362 14 0 "[ . 1 . 2]" 1
774 1 69 ALA MB 1 70 LEU H . . 3.410 2.605 2.426 2.806 . 0 0 "[ . 1 . 2]" 1
775 1 66 PHE QD 1 69 ALA MB . . 4.140 3.457 2.797 4.097 . 0 0 "[ . 1 . 2]" 1
776 1 66 PHE HA 1 69 ALA MB . . 4.060 2.743 2.499 3.342 . 0 0 "[ . 1 . 2]" 1
777 1 19 CYS H 1 77 ILE MG . . 4.900 4.288 3.868 4.879 . 0 0 "[ . 1 . 2]" 1
778 1 77 ILE H 1 77 ILE MG . . 3.970 2.775 2.578 3.126 . 0 0 "[ . 1 . 2]" 1
779 1 22 MET QG 1 77 ILE MG . . 4.260 3.013 2.698 3.598 . 0 0 "[ . 1 . 2]" 1
780 1 9 ILE H 1 9 ILE MG . . 4.200 3.752 3.616 3.808 . 0 0 "[ . 1 . 2]" 1
781 1 9 ILE MG 1 44 GLU HA . . 4.020 3.586 2.921 4.237 0.217 17 0 "[ . 1 . 2]" 1
782 1 128 ILE H 1 128 ILE MG . . 3.990 2.416 1.923 3.473 . 0 0 "[ . 1 . 2]" 1
783 1 86 ILE H 1 86 ILE MG . . 4.070 3.836 3.805 3.870 . 0 0 "[ . 1 . 2]" 1
784 1 45 MET H 1 45 MET ME . . 3.860 3.233 2.648 4.274 0.414 3 0 "[ . 1 . 2]" 1
785 1 2 MET QB 1 2 MET ME . . 3.530 2.431 1.863 3.601 0.071 15 0 "[ . 1 . 2]" 1
786 1 2 MET HA 1 2 MET ME . . 3.780 3.531 2.017 4.386 0.606 4 5 "[ +. * 1- * * 2]" 1
787 1 73 ALA MB 1 74 ASN H . . 3.560 2.483 2.198 2.715 . 0 0 "[ . 1 . 2]" 1
788 1 73 ALA H 1 73 ALA MB . . 3.110 2.258 2.229 2.294 . 0 0 "[ . 1 . 2]" 1
789 1 9 ILE HA 1 9 ILE MG . . 3.310 2.572 2.466 2.796 . 0 0 "[ . 1 . 2]" 1
790 1 19 CYS H 1 77 ILE MD . . 4.730 3.138 2.899 3.388 . 0 0 "[ . 1 . 2]" 1
791 1 15 ILE HA 1 15 ILE MG . . 3.400 2.728 2.612 2.816 . 0 0 "[ . 1 . 2]" 1
792 1 15 ILE MG 1 73 ALA MB . . 4.600 3.090 2.700 3.441 . 0 0 "[ . 1 . 2]" 1
793 1 77 ILE H 1 77 ILE MD . . 3.930 3.387 3.249 3.560 . 0 0 "[ . 1 . 2]" 1
794 1 15 ILE MD 1 74 ASN H . . 3.630 2.816 2.475 3.154 . 0 0 "[ . 1 . 2]" 1
795 1 15 ILE MD 1 74 ASN HB3 . . 4.100 4.053 3.715 4.512 0.412 14 0 "[ . 1 . 2]" 1
796 1 15 ILE HB 1 15 ILE MD . . 3.370 2.430 2.386 2.482 . 0 0 "[ . 1 . 2]" 1
797 1 15 ILE MD 1 74 ASN HB2 . . 4.100 2.741 2.370 3.110 . 0 0 "[ . 1 . 2]" 1
798 1 40 ILE HA 1 40 ILE MD . . 4.170 4.271 4.256 4.285 0.115 8 0 "[ . 1 . 2]" 1
799 1 8 ILE MD 1 67 LYS H . . 4.430 3.128 2.789 3.440 . 0 0 "[ . 1 . 2]" 1
800 1 8 ILE H 1 8 ILE MD . . 3.900 3.561 3.424 3.680 . 0 0 "[ . 1 . 2]" 1
801 1 13 GLN H 1 40 ILE MD . . 3.970 3.172 2.763 3.388 . 0 0 "[ . 1 . 2]" 1
802 1 40 ILE MD 1 41 LYS H . . 4.410 4.035 3.855 4.280 . 0 0 "[ . 1 . 2]" 1
803 1 12 GLY H 1 40 ILE MD . . 4.550 4.426 3.855 4.893 0.343 11 0 "[ . 1 . 2]" 1
804 1 9 ILE MD 1 43 LEU H . . 4.880 4.247 3.677 4.965 0.085 6 0 "[ . 1 . 2]" 1
805 1 9 ILE MD 1 44 GLU HA . . 3.770 3.085 2.128 3.982 0.212 19 0 "[ . 1 . 2]" 1
806 1 9 ILE HA 1 9 ILE MD . . 3.910 2.457 2.039 3.890 . 0 0 "[ . 1 . 2]" 1
807 1 9 ILE MD 1 9 ILE MG . . 3.060 2.425 2.013 3.311 0.251 19 0 "[ . 1 . 2]" 1
808 1 86 ILE H 1 86 ILE MD . . 4.710 3.730 3.669 3.780 . 0 0 "[ . 1 . 2]" 1
809 1 97 ILE H 1 97 ILE MD . . 4.140 2.250 1.752 3.855 . 0 0 "[ . 1 . 2]" 1
810 1 97 ILE MD 1 139 GLN H . . 4.310 4.248 3.746 4.805 0.495 8 0 "[ . 1 . 2]" 1
811 1 97 ILE HA 1 97 ILE MD . . 4.030 3.085 2.272 4.059 0.029 1 0 "[ . 1 . 2]" 1
812 1 97 ILE MD 1 139 GLN HA . . 3.530 2.605 1.871 3.532 0.002 8 0 "[ . 1 . 2]" 1
813 1 97 ILE MD 1 139 GLN QB . . 4.600 3.483 1.901 4.523 . 0 0 "[ . 1 . 2]" 1
814 1 128 ILE HA 1 128 ILE MD . . 4.060 3.917 3.774 4.276 0.216 2 0 "[ . 1 . 2]" 1
815 1 128 ILE HB 1 128 ILE MD . . 3.680 2.469 2.388 2.543 . 0 0 "[ . 1 . 2]" 1
816 1 24 TYR HA 1 24 TYR QD . . 3.560 3.020 2.699 3.221 . 0 0 "[ . 1 . 2]" 1
817 1 149 PHE HA 1 149 PHE QD . . 3.620 2.792 2.413 3.077 . 0 0 "[ . 1 . 2]" 1
818 1 149 PHE QD 1 150 GLN HA . . 4.360 3.701 3.116 4.541 0.181 19 0 "[ . 1 . 2]" 1
819 1 89 PHE QD 1 90 LEU H . . 4.660 3.134 2.885 3.270 . 0 0 "[ . 1 . 2]" 1
820 1 89 PHE HA 1 89 PHE QD . . 3.560 3.679 3.590 3.762 0.202 11 0 "[ . 1 . 2]" 1
821 1 80 PHE HA 1 80 PHE QE . . 4.460 4.361 4.299 4.462 0.002 6 0 "[ . 1 . 2]" 1
822 1 8 ILE MD 1 66 PHE QD . . 3.770 1.987 1.749 2.871 . 0 0 "[ . 1 . 2]" 1
823 1 89 PHE QE 1 98 LEU QD . . 3.860 1.971 1.748 2.326 . 0 0 "[ . 1 . 2]" 1
824 1 134 TRP HA 1 134 TRP HD1 . . 3.390 2.365 1.945 3.005 . 0 0 "[ . 1 . 2]" 1
825 1 16 HIS QB 1 16 HIS HD2 . . 3.730 2.801 2.634 3.132 . 0 0 "[ . 1 . 2]" 1
826 1 16 HIS HD2 1 37 LEU HG . . 4.390 4.154 2.819 4.898 0.508 2 1 "[ + . 1 . 2]" 1
827 1 34 HIS HA 1 34 HIS HD2 . . 3.790 3.144 2.411 4.265 0.475 6 0 "[ . 1 . 2]" 1
828 1 7 HIS QB 1 7 HIS HD2 . . 3.460 2.872 2.606 3.234 . 0 0 "[ . 1 . 2]" 1
829 1 79 LYS HB2 1 80 PHE H . . 4.450 3.454 2.545 4.198 . 0 0 "[ . 1 . 2]" 1
830 1 90 LEU QD 1 149 PHE QE . . 3.100 3.150 3.084 3.295 0.195 19 0 "[ . 1 . 2]" 1
831 1 104 ARG HA 1 107 SER HB3 . . 4.230 2.955 2.301 4.486 0.256 4 0 "[ . 1 . 2]" 1
832 1 16 HIS HE1 1 37 LEU MD2 . . 4.380 3.929 3.315 4.845 0.465 17 0 "[ . 1 . 2]" 1
833 1 16 HIS HD2 1 37 LEU MD2 . . 4.170 3.370 2.664 4.585 0.415 9 0 "[ . 1 . 2]" 1
834 1 86 ILE MG 1 89 PHE HZ . . 4.000 4.095 3.794 4.366 0.366 12 0 "[ . 1 . 2]" 1
835 1 103 ASN HA 1 106 LEU MD2 . . 4.020 3.255 2.147 4.542 0.522 18 1 "[ . 1 . + 2]" 1
836 1 106 LEU HB2 1 134 TRP HZ3 . . 4.670 4.564 3.281 5.400 0.730 12 4 "[ - . 1 + ** 2]" 1
837 1 102 VAL MG2 1 103 ASN H . . 3.990 3.771 3.655 3.883 . 0 0 "[ . 1 . 2]" 1
838 1 39 LEU QD 1 134 TRP HZ2 . . 3.780 3.305 2.108 4.012 0.232 17 0 "[ . 1 . 2]" 1
839 1 39 LEU QD 1 134 TRP HZ3 . . 3.490 3.121 2.411 3.755 0.265 6 0 "[ . 1 . 2]" 1
840 1 28 GLN HE22 1 142 ALA HA . . 4.640 3.130 1.766 5.005 0.365 11 0 "[ . 1 . 2]" 1
841 1 28 GLN HE21 1 142 ALA HA . . 4.640 3.381 2.418 4.629 . 0 0 "[ . 1 . 2]" 1
842 1 3 GLU HA 1 6 LYS HB3 . . 3.640 2.941 2.222 3.985 0.345 11 0 "[ . 1 . 2]" 1
843 1 38 GLY QA 1 41 LYS QG . . 5.030 4.435 3.830 5.005 . 0 0 "[ . 1 . 2]" 1
844 1 104 ARG HA 1 107 SER HB2 . . 4.230 3.249 2.562 3.867 . 0 0 "[ . 1 . 2]" 1
845 1 89 PHE HZ 1 98 LEU HA . . 3.940 2.139 1.686 3.410 . 0 0 "[ . 1 . 2]" 1
846 1 100 LYS HA 1 103 ASN H . . 5.400 4.344 3.970 4.782 . 0 0 "[ . 1 . 2]" 1
847 1 97 ILE MG 1 99 PHE HA . . 4.780 4.394 3.817 5.331 0.551 18 1 "[ . 1 . + 2]" 1
848 1 97 ILE MG 1 142 ALA MB . . 3.380 2.624 1.826 3.387 0.007 14 0 "[ . 1 . 2]" 1
849 1 97 ILE MD 1 142 ALA MB . . 3.100 2.577 1.743 3.245 0.145 1 0 "[ . 1 . 2]" 1
850 1 79 LYS HB3 1 80 PHE H . . 4.450 3.559 2.660 4.173 . 0 0 "[ . 1 . 2]" 1
851 1 38 GLY QA 1 41 LYS QB . . 4.120 3.333 2.745 3.768 . 0 0 "[ . 1 . 2]" 1
852 1 16 HIS HE1 1 37 LEU MD1 . . 4.380 3.360 2.619 4.464 0.084 4 0 "[ . 1 . 2]" 1
853 1 16 HIS HD2 1 37 LEU MD1 . . 4.170 3.389 2.677 4.173 0.003 9 0 "[ . 1 . 2]" 1
854 1 3 GLU HA 1 6 LYS HB2 . . 3.640 3.086 2.430 3.982 0.342 2 0 "[ . 1 . 2]" 1
855 1 106 LEU HB3 1 134 TRP HZ3 . . 4.670 3.769 2.738 4.913 0.243 15 0 "[ . 1 . 2]" 1
856 1 109 VAL HB 1 110 TRP H . . 3.410 2.847 2.435 3.198 . 0 0 "[ . 1 . 2]" 1
857 1 124 PRO HA 1 125 VAL H . . 2.880 2.717 2.219 3.601 0.721 17 1 "[ . 1 . + 2]" 1
858 1 3 GLU HA 1 6 LYS QB . . 3.150 2.569 2.097 3.170 0.020 20 0 "[ . 1 . 2]" 1
859 1 16 HIS HD2 1 37 LEU QD . . 3.630 2.936 2.531 3.871 0.241 9 0 "[ . 1 . 2]" 1
860 1 16 HIS HE1 1 37 LEU QD . . 3.690 3.058 2.570 3.487 . 0 0 "[ . 1 . 2]" 1
861 1 19 CYS QB 1 32 LEU QD . . 4.190 2.624 1.945 3.195 . 0 0 "[ . 1 . 2]" 1
862 1 28 GLN QE 1 142 ALA HA . . 4.040 2.797 1.742 4.269 0.229 11 0 "[ . 1 . 2]" 1
863 1 28 GLN QE 1 145 ASP QB . . 3.570 2.579 1.985 3.245 . 0 0 "[ . 1 . 2]" 1
864 1 32 LEU QD 1 36 VAL HA . . 4.390 4.817 4.564 4.937 0.547 16 3 "[ *- 1 .+ 2]" 1
865 1 32 LEU QD 1 99 PHE QE . . 3.420 2.730 2.290 3.230 . 0 0 "[ . 1 . 2]" 1
866 1 34 HIS HA 1 37 LEU QD . . 3.930 3.323 2.439 4.045 0.115 11 0 "[ . 1 . 2]" 1
867 1 39 LEU QB 1 40 ILE H . . 3.840 2.586 2.399 2.790 . 0 0 "[ . 1 . 2]" 1
868 1 39 LEU QD 1 110 TRP H . . 4.690 4.339 3.864 4.712 0.022 2 0 "[ . 1 . 2]" 1
869 1 39 LEU QD 1 110 TRP HD1 . . 3.790 3.212 2.768 3.827 0.037 17 0 "[ . 1 . 2]" 1
870 1 39 LEU QD 1 134 TRP HH2 . . 4.430 1.922 1.738 2.421 . 0 0 "[ . 1 . 2]" 1
871 1 41 LYS H 1 42 PRO QD . . 3.760 2.480 2.286 2.735 . 0 0 "[ . 1 . 2]" 1
872 1 53 SER QB 1 54 VAL H . . 3.310 2.709 1.905 3.801 0.491 1 0 "[ . 1 . 2]" 1
873 1 55 PRO QG 1 56 SER H . . 4.900 4.572 3.381 4.976 0.076 6 0 "[ . 1 . 2]" 1
874 1 66 PHE QB 1 113 LEU QD . . 3.730 2.409 2.140 2.926 . 0 0 "[ . 1 . 2]" 1
875 1 66 PHE QD 1 106 LEU QD . . 3.270 4.052 2.747 4.457 1.187 7 16 "[-*****+*** * **** *]" 1
876 1 66 PHE QE 1 110 TRP QB . . 4.970 2.688 1.963 4.494 . 0 0 "[ . 1 . 2]" 1
877 1 66 PHE QE 1 113 LEU QD . . 4.220 2.876 1.813 3.441 . 0 0 "[ . 1 . 2]" 1
878 1 79 LYS QB 1 80 PHE H . . 3.880 2.923 2.504 3.703 . 0 0 "[ . 1 . 2]" 1
879 1 80 PHE QE 1 98 LEU QD . . 3.340 2.800 2.227 3.009 . 0 0 "[ . 1 . 2]" 1
880 1 99 PHE HA 1 102 VAL QG . . 3.920 3.378 2.575 4.020 0.100 3 0 "[ . 1 . 2]" 1
881 1 100 LYS QB 1 101 ASP H . . 3.100 2.374 2.023 3.431 0.331 14 0 "[ . 1 . 2]" 1
882 1 102 VAL QG 1 103 ASN H . . 3.370 3.108 2.823 3.354 . 0 0 "[ . 1 . 2]" 1
883 1 103 ASN HA 1 106 LEU QB . . 4.180 2.193 1.816 2.631 . 0 0 "[ . 1 . 2]" 1
884 1 104 ARG HA 1 107 SER QB . . 3.680 2.573 2.217 2.866 . 0 0 "[ . 1 . 2]" 1
885 1 106 LEU QB 1 134 TRP HZ3 . . 4.060 3.586 2.615 4.513 0.453 15 0 "[ . 1 . 2]" 1
886 1 106 LEU QB 1 134 TRP HH2 . . 5.260 4.147 2.997 4.958 . 0 0 "[ . 1 . 2]" 1
887 1 113 LEU H 1 116 LEU QD . . 3.910 4.127 3.905 4.331 0.421 20 0 "[ . 1 . 2]" 1
888 1 114 SER QB 1 125 VAL QG . . 4.080 3.290 1.828 4.471 0.391 1 0 "[ . 1 . 2]" 1
889 1 63 MET QB 1 64 ASN H . . 3.510 2.882 2.564 3.112 . 0 0 "[ . 1 . 2]" 1
890 1 90 LEU QD 1 149 PHE QD . . 4.100 2.375 1.957 2.611 . 0 0 "[ . 1 . 2]" 1
891 1 110 TRP HZ3 1 113 LEU QD . . 3.950 2.251 1.958 2.795 . 0 0 "[ . 1 . 2]" 1
892 1 39 LEU QD 1 128 ILE MG . . 3.800 3.721 2.418 4.434 0.634 17 2 "[ . 1 . + -2]" 1
893 1 39 LEU QD 1 128 ILE MD . . 3.950 3.539 1.838 4.436 0.486 10 0 "[ . 1 . 2]" 1
894 1 42 PRO HG2 1 110 TRP HH2 . . 4.790 3.464 1.781 4.267 . 0 0 "[ . 1 . 2]" 1
895 1 42 PRO HG3 1 110 TRP HH2 . . 4.790 4.135 2.630 5.351 0.561 7 2 "[- . + 1 . 2]" 1
896 1 42 PRO QB 1 110 TRP HH2 . . 5.010 3.551 2.356 4.612 . 0 0 "[ . 1 . 2]" 1
897 1 42 PRO QG 1 110 TRP HH2 . . 4.180 3.192 1.776 3.983 . 0 0 "[ . 1 . 2]" 1
898 1 42 PRO QD 1 110 TRP HH2 . . 5.350 4.801 3.186 5.904 0.554 2 1 "[ + . 1 . 2]" 1
899 1 43 LEU QD 1 110 TRP HH2 . . 3.730 2.942 1.992 4.085 0.355 20 0 "[ . 1 . 2]" 1
900 1 110 TRP HH2 1 117 LEU QD . . 4.400 3.742 2.801 4.393 . 0 0 "[ . 1 . 2]" 1
901 1 117 LEU MD2 1 123 MET QG . . 4.240 4.116 3.431 4.796 0.556 9 1 "[ . +1 . 2]" 1
902 1 117 LEU MD1 1 123 MET QG . . 4.240 4.218 3.385 4.707 0.467 7 0 "[ . 1 . 2]" 1
903 1 117 LEU MD2 1 123 MET HB2 . . 5.000 3.703 2.764 5.329 0.329 17 0 "[ . 1 . 2]" 1
904 1 117 LEU QB 1 123 MET QB . . 3.420 2.160 1.758 3.699 0.279 17 0 "[ . 1 . 2]" 1
905 1 117 LEU QD 1 123 MET QB . . 3.780 3.038 2.451 3.828 0.048 17 0 "[ . 1 . 2]" 1
906 1 117 LEU MD1 1 123 MET HB3 . . 5.000 3.938 3.196 5.521 0.521 7 1 "[ . + 1 . 2]" 1
907 1 117 LEU MD2 1 123 MET HB3 . . 5.000 4.184 3.424 5.214 0.214 14 0 "[ . 1 . 2]" 1
908 1 117 LEU QD 1 123 MET QG . . 3.670 3.626 3.100 4.121 0.451 7 0 "[ . 1 . 2]" 1
909 1 117 LEU QD 1 123 MET ME . . 3.950 1.908 1.754 2.903 . 0 0 "[ . 1 . 2]" 1
910 1 59 LEU QD 1 63 MET ME . . 3.770 2.676 1.887 4.162 0.392 1 0 "[ . 1 . 2]" 1
911 1 42 PRO HA 1 125 VAL QG . . 4.410 4.214 3.582 4.984 0.574 19 1 "[ . 1 . +2]" 1
912 1 42 PRO QB 1 125 VAL QG . . 3.640 2.253 1.804 2.929 . 0 0 "[ . 1 . 2]" 1
913 1 42 PRO QG 1 125 VAL QG . . 3.420 2.823 1.870 3.777 0.357 18 0 "[ . 1 . 2]" 1
914 1 63 MET ME 1 117 LEU QD . . 3.400 2.573 2.014 3.603 0.203 1 0 "[ . 1 . 2]" 1
915 1 24 TYR HB2 1 86 ILE MD . . 3.740 3.035 2.553 3.539 . 0 0 "[ . 1 . 2]" 1
916 1 86 ILE MD 1 98 LEU QD . . 3.910 2.590 2.121 3.200 . 0 0 "[ . 1 . 2]" 1
917 1 86 ILE MD 1 89 PHE QE . . 3.970 4.459 4.388 4.510 0.540 15 11 "[ *** * 1 ***+ * -*]" 1
918 1 24 TYR QD 1 86 ILE MG . . 5.120 5.368 4.638 5.760 0.640 20 6 "[- *. * 1 . * *+]" 1
919 1 24 TYR HB3 1 86 ILE MD . . 3.740 3.937 3.326 4.209 0.469 7 0 "[ . 1 . 2]" 1
920 1 24 TYR QB 1 86 ILE MG . . 4.680 3.782 3.245 4.106 . 0 0 "[ . 1 . 2]" 1
921 1 24 TYR QB 1 86 ILE MD . . 3.150 2.935 2.502 3.334 0.184 17 0 "[ . 1 . 2]" 1
922 1 87 CYS HA 1 90 LEU QB . . 4.330 2.319 2.073 2.468 . 0 0 "[ . 1 . 2]" 1
923 1 84 SER QB 1 87 CYS QB . . 3.590 4.153 3.857 4.375 0.785 8 13 "[***** +*-* ** **2]" 1
924 1 86 ILE MD 1 149 PHE HZ . . 3.890 3.680 2.730 4.296 0.406 15 0 "[ . 1 . 2]" 1
925 1 86 ILE MD 1 149 PHE QE . . 4.190 2.818 2.614 3.042 . 0 0 "[ . 1 . 2]" 1
926 1 86 ILE MG 1 98 LEU QD . . 3.620 1.898 1.685 2.446 . 0 0 "[ . 1 . 2]" 1
927 1 60 THR MG 1 64 ASN QD . . 3.300 2.024 1.798 2.395 . 0 0 "[ . 1 . 2]" 1
928 1 60 THR MG 1 64 ASN HD21 . . 3.830 2.955 2.435 3.676 . 0 0 "[ . 1 . 2]" 1
929 1 90 LEU HG 1 149 PHE QB . . 3.220 4.231 4.085 4.391 1.171 19 20 [*********-********+*] 1
930 1 32 LEU MD1 1 77 ILE MG . . 3.970 3.881 2.761 4.301 0.331 9 0 "[ . 1 . 2]" 1
931 1 32 LEU MD2 1 77 ILE MG . . 3.970 2.525 2.077 4.243 0.273 20 0 "[ . 1 . 2]" 1
932 1 73 ALA MB 1 77 ILE MD . . 3.970 3.443 3.097 3.752 . 0 0 "[ . 1 . 2]" 1
933 1 73 ALA MB 1 77 ILE MG . . 3.890 4.328 4.107 4.540 0.650 9 3 "[ . +1* . -]" 1
934 1 73 ALA MB 1 102 VAL HB . . 3.950 4.144 3.879 4.480 0.530 10 1 "[ . + . 2]" 1
935 1 32 LEU MD2 1 73 ALA MB . . 3.510 3.212 2.024 3.893 0.383 15 0 "[ . 1 . 2]" 1
936 1 32 LEU MD1 1 73 ALA MB . . 3.510 2.693 2.079 3.542 0.032 11 0 "[ . 1 . 2]" 1
937 1 15 ILE MG 1 32 LEU MD1 . . 4.100 2.764 1.991 3.139 . 0 0 "[ . 1 . 2]" 1
938 1 15 ILE MG 1 32 LEU MD2 . . 4.100 2.497 1.948 3.658 . 0 0 "[ . 1 . 2]" 1
939 1 80 PHE HZ 1 98 LEU QD . . 3.230 3.306 3.116 3.482 0.252 19 0 "[ . 1 . 2]" 1
940 1 80 PHE QE 1 89 PHE HB2 . . 4.730 5.110 4.689 5.330 0.600 4 5 "[ +* - 1 *. * 2]" 1
941 1 80 PHE QE 1 89 PHE HB3 . . 4.730 4.213 3.555 4.474 . 0 0 "[ . 1 . 2]" 1
942 1 80 PHE QE 1 89 PHE HZ . . 3.730 3.858 3.569 4.215 0.485 6 0 "[ . 1 . 2]" 1
943 1 80 PHE QD 1 99 PHE QE . . 3.730 2.979 2.173 3.552 . 0 0 "[ . 1 . 2]" 1
944 1 80 PHE QE 1 99 PHE QE . . 3.830 3.170 2.431 3.654 . 0 0 "[ . 1 . 2]" 1
945 1 80 PHE QD 1 99 PHE HZ . . 3.530 2.765 2.271 3.635 0.105 11 0 "[ . 1 . 2]" 1
946 1 32 LEU MD1 1 99 PHE QD . . 4.030 3.460 2.865 4.467 0.437 20 0 "[ . 1 . 2]" 1
947 1 32 LEU MD1 1 99 PHE QE . . 3.550 3.639 3.049 4.015 0.465 16 0 "[ . 1 . 2]" 1
948 1 32 LEU MD2 1 99 PHE QD . . 4.030 3.453 2.714 4.084 0.054 14 0 "[ . 1 . 2]" 1
949 1 32 LEU MD2 1 99 PHE QE . . 3.550 2.832 2.367 3.545 . 0 0 "[ . 1 . 2]" 1
950 1 99 PHE HA 1 102 VAL MG1 . . 4.680 4.579 3.814 5.150 0.470 15 0 "[ . 1 . 2]" 1
951 1 99 PHE HB2 1 102 VAL HB . . 4.230 4.240 3.223 4.677 0.447 9 0 "[ . 1 . 2]" 1
952 1 99 PHE HB3 1 102 VAL HB . . 4.230 2.606 1.903 3.022 . 0 0 "[ . 1 . 2]" 1
953 1 32 LEU MD1 1 73 ALA HA . . 5.300 4.481 3.597 5.455 0.155 11 0 "[ . 1 . 2]" 1
954 1 77 ILE HA 1 99 PHE HZ . . 4.060 3.594 2.847 4.555 0.495 10 0 "[ . 1 . 2]" 1
955 1 77 ILE HB 1 99 PHE QE . . 4.560 4.908 4.594 5.175 0.615 19 4 "[ .* -1 . +*]" 1
956 1 77 ILE HA 1 80 PHE QD . . 5.160 2.542 2.144 2.892 . 0 0 "[ . 1 . 2]" 1
957 1 77 ILE HB 1 80 PHE QD . . 5.160 4.687 4.070 5.175 0.015 16 0 "[ . 1 . 2]" 1
958 1 77 ILE MG 1 99 PHE QD . . 4.060 4.127 3.872 4.305 0.245 1 0 "[ . 1 . 2]" 1
959 1 77 ILE MG 1 99 PHE QE . . 3.860 2.241 1.788 2.663 . 0 0 "[ . 1 . 2]" 1
960 1 77 ILE MG 1 99 PHE HZ . . 4.060 1.823 1.605 2.094 . 0 0 "[ . 1 . 2]" 1
961 1 77 ILE MD 1 99 PHE QE . . 3.860 3.531 3.232 4.014 0.154 16 0 "[ . 1 . 2]" 1
962 1 77 ILE MD 1 99 PHE HZ . . 3.560 3.759 2.872 4.140 0.580 15 1 "[ . 1 + 2]" 1
963 1 77 ILE HA 1 99 PHE QE . . 4.160 4.045 3.316 4.641 0.481 10 0 "[ . 1 . 2]" 1
964 1 77 ILE MD 1 99 PHE QD . . 4.060 5.074 4.862 5.312 1.252 6 20 [**-**+**************] 1
965 1 32 LEU MD1 1 77 ILE MD . . 3.470 3.589 2.048 3.991 0.521 3 1 "[ + . 1 . 2]" 1
966 1 32 LEU MD2 1 77 ILE MD . . 3.470 2.449 1.823 3.854 0.384 7 0 "[ . 1 . 2]" 1
967 1 98 LEU HB2 1 99 PHE QE . . 4.940 4.033 2.692 5.503 0.563 11 1 "[ . 1+ . 2]" 1
968 1 98 LEU HB3 1 99 PHE QE . . 4.940 3.215 2.605 4.209 . 0 0 "[ . 1 . 2]" 1
969 1 98 LEU HB3 1 99 PHE QD . . 4.440 2.419 1.870 3.794 . 0 0 "[ . 1 . 2]" 1
970 1 98 LEU QD 1 99 PHE QE . . 4.040 2.253 1.832 2.760 . 0 0 "[ . 1 . 2]" 1
971 1 80 PHE QE 1 86 ILE MG . . 4.060 3.830 3.397 4.237 0.177 13 0 "[ . 1 . 2]" 1
972 1 86 ILE MG 1 89 PHE QE . . 4.060 2.170 1.964 2.452 . 0 0 "[ . 1 . 2]" 1
973 1 80 PHE QE 1 86 ILE MD . . 4.460 4.714 4.484 4.914 0.454 10 0 "[ . 1 . 2]" 1
974 1 86 ILE HA 1 89 PHE QB . . 4.880 4.057 3.621 4.467 . 0 0 "[ . 1 . 2]" 1
975 1 86 ILE MG 1 90 LEU QD . . 3.510 2.318 2.116 2.463 . 0 0 "[ . 1 . 2]" 1
976 1 86 ILE MD 1 90 LEU QD . . 3.270 4.326 4.163 4.489 1.219 3 20 [**+****************-] 1
977 1 87 CYS H 1 88 ARG H . . 3.130 2.740 2.659 2.816 . 0 0 "[ . 1 . 2]" 1
978 1 87 CYS QB 1 149 PHE QE . . 4.040 2.279 1.777 2.629 . 0 0 "[ . 1 . 2]" 1
979 1 87 CYS QB 1 149 PHE QD . . 4.240 3.959 3.079 4.445 0.205 14 0 "[ . 1 . 2]" 1
980 1 87 CYS QB 1 149 PHE HZ . . 4.040 2.648 2.133 3.507 . 0 0 "[ . 1 . 2]" 1
981 1 87 CYS HA 1 149 PHE QE . . 4.240 3.664 3.340 4.078 . 0 0 "[ . 1 . 2]" 1
982 1 86 ILE MD 1 149 PHE QD . . 4.050 4.484 4.338 4.644 0.594 14 3 "[ . 1*- +. 2]" 1
983 1 86 ILE MG 1 149 PHE QD . . 4.050 3.224 2.983 3.497 . 0 0 "[ . 1 . 2]" 1
984 1 86 ILE MG 1 149 PHE HZ . . 4.050 3.481 2.969 4.062 0.012 4 0 "[ . 1 . 2]" 1
985 1 86 ILE MG 1 149 PHE QE . . 4.250 2.040 1.921 2.220 . 0 0 "[ . 1 . 2]" 1
986 1 87 CYS HA 1 90 LEU HG . . 4.360 4.780 4.453 4.954 0.594 17 5 "[ . *1* . +-*2]" 1
987 1 87 CYS QB 1 90 LEU QB . . 4.720 4.167 3.893 4.332 . 0 0 "[ . 1 . 2]" 1
988 1 86 ILE HB 1 87 CYS QB . . 4.220 3.837 3.710 3.954 . 0 0 "[ . 1 . 2]" 1
989 1 86 ILE MG 1 87 CYS QB . . 4.020 4.261 3.938 4.436 0.416 19 0 "[ . 1 . 2]" 1
990 1 39 LEU QD 1 66 PHE QD . . 3.700 3.886 3.277 4.164 0.464 15 0 "[ . 1 . 2]" 1
991 1 39 LEU QD 1 66 PHE QE . . 4.060 2.166 1.658 2.713 . 0 0 "[ . 1 . 2]" 1
992 1 23 LYS HB2 1 24 TYR QE . . 5.320 5.216 3.785 5.938 0.618 14 5 "[* . 1 *+. - *2]" 1
993 1 23 LYS HB3 1 24 TYR QE . . 5.320 4.027 3.308 5.277 . 0 0 "[ . 1 . 2]" 1
994 1 97 ILE MD 1 138 ASP HB3 . . 4.550 3.572 1.759 4.539 . 0 0 "[ . 1 . 2]" 1
995 1 97 ILE MG 1 138 ASP HA . . 5.150 3.976 2.717 4.899 . 0 0 "[ . 1 . 2]" 1
996 1 97 ILE MG 1 138 ASP HB2 . . 4.550 4.211 3.401 4.961 0.411 14 0 "[ . 1 . 2]" 1
997 1 97 ILE MG 1 138 ASP HB3 . . 4.550 2.868 1.878 3.561 . 0 0 "[ . 1 . 2]" 1
998 1 97 ILE MD 1 138 ASP HA . . 5.150 4.917 3.755 5.815 0.665 10 1 "[ . + . 2]" 1
999 1 97 ILE MD 1 138 ASP HB2 . . 4.550 4.467 3.225 5.305 0.755 13 3 "[ *. 1 + .- 2]" 1
1000 1 97 ILE MD 1 142 ALA H . . 4.550 4.559 3.577 5.087 0.537 7 1 "[ . + 1 . 2]" 1
1001 1 28 GLN HE22 1 142 ALA MB . . 4.950 3.139 1.755 4.315 . 0 0 "[ . 1 . 2]" 1
1002 1 28 GLN HE21 1 142 ALA MB . . 4.950 3.995 2.878 5.204 0.254 8 0 "[ . 1 . 2]" 1
1003 1 117 LEU MD1 1 123 MET ME . . 3.550 2.145 1.816 3.050 . 0 0 "[ . 1 . 2]" 1
1004 1 117 LEU MD2 1 123 MET ME . . 3.550 2.308 1.848 4.021 0.471 17 0 "[ . 1 . 2]" 1
1005 1 43 LEU MD2 1 123 MET ME . . 3.550 3.692 2.425 4.192 0.642 12 2 "[ .- 1 + . 2]" 1
1006 1 43 LEU MD1 1 123 MET ME . . 3.550 2.607 1.962 3.289 . 0 0 "[ . 1 . 2]" 1
1007 1 35 ARG QG 1 134 TRP HZ2 . . 3.550 2.721 1.929 3.246 . 0 0 "[ . 1 . 2]" 1
1008 1 128 ILE MD 1 134 TRP HZ2 . . 4.150 3.015 1.829 4.235 0.085 3 0 "[ . 1 . 2]" 1
1009 1 128 ILE MD 1 134 TRP HD1 . . 4.050 4.207 3.067 4.661 0.611 3 5 "[ + - *1* .* 2]" 1
1010 1 110 TRP HD1 1 128 ILE MD . . 4.050 3.294 2.028 4.664 0.614 7 1 "[ . + 1 . 2]" 1
1011 1 107 SER HA 1 134 TRP HZ3 . . 4.550 2.236 1.643 3.008 . 0 0 "[ . 1 . 2]" 1
1012 1 25 CYS HB3 1 98 LEU QD . . 4.250 2.662 2.225 3.186 . 0 0 "[ . 1 . 2]" 1
1013 1 25 CYS HB2 1 98 LEU QD . . 4.250 2.956 2.393 3.475 . 0 0 "[ . 1 . 2]" 1
1014 1 24 TYR QE 1 149 PHE QD . . 4.050 4.421 4.119 4.514 0.464 12 0 "[ . 1 . 2]" 1
1015 1 24 TYR QE 1 149 PHE QE . . 4.050 4.201 3.795 4.550 0.500 20 0 "[ . 1 . 2]" 1
1016 1 24 TYR QD 1 149 PHE QD . . 4.050 3.617 3.360 3.905 . 0 0 "[ . 1 . 2]" 1
1017 1 24 TYR QD 1 149 PHE QE . . 4.050 3.588 3.227 3.890 . 0 0 "[ . 1 . 2]" 1
1018 1 22 MET ME 1 80 PHE HB2 . . 4.150 2.360 1.999 3.033 . 0 0 "[ . 1 . 2]" 1
1019 1 22 MET ME 1 80 PHE HB3 . . 4.150 2.832 2.467 3.348 . 0 0 "[ . 1 . 2]" 1
1020 1 22 MET ME 1 80 PHE QD . . 4.050 3.541 3.121 3.987 . 0 0 "[ . 1 . 2]" 1
1021 1 22 MET ME 1 80 PHE H . . 5.150 3.725 3.548 4.518 . 0 0 "[ . 1 . 2]" 1
1022 1 22 MET ME 1 81 SER H . . 5.050 3.198 2.911 3.992 . 0 0 "[ . 1 . 2]" 1
1023 1 22 MET ME 1 81 SER HA . . 4.550 2.759 2.439 3.341 . 0 0 "[ . 1 . 2]" 1
1024 1 22 MET ME 1 81 SER HB3 . . 4.250 3.742 3.430 4.440 0.190 9 0 "[ . 1 . 2]" 1
1025 1 22 MET ME 1 81 SER HB2 . . 4.250 4.505 3.260 4.743 0.493 20 0 "[ . 1 . 2]" 1
1026 1 22 MET ME 1 99 PHE QE . . 4.050 4.548 3.806 4.704 0.654 12 14 "[** ** ** * +**. **-*]" 1
1027 1 22 MET ME 1 99 PHE HZ . . 4.050 4.106 3.693 4.632 0.582 11 5 "[ .* *1+ . -*]" 1
1028 1 22 MET HG2 1 77 ILE MG . . 4.950 3.414 2.990 3.919 . 0 0 "[ . 1 . 2]" 1
1029 1 22 MET HG3 1 77 ILE MG . . 4.950 3.422 2.861 5.089 0.139 5 0 "[ . 1 . 2]" 1
1030 1 5 LEU QD 1 47 GLN HA . . 4.800 3.895 2.554 4.639 . 0 0 "[ . 1 . 2]" 1
1031 1 5 LEU QD 1 9 ILE MD . . 4.080 2.869 2.220 3.405 . 0 0 "[ . 1 . 2]" 1
1032 1 5 LEU QD 1 63 MET ME . . 4.080 2.262 1.938 3.150 . 0 0 "[ . 1 . 2]" 1
1033 1 5 LEU QD 1 63 MET QG . . 3.460 3.094 2.531 3.756 0.296 8 0 "[ . 1 . 2]" 1
1034 1 8 ILE MD 1 63 MET QG . . 3.980 3.333 2.228 3.731 . 0 0 "[ . 1 . 2]" 1
1035 1 8 ILE MD 1 63 MET ME . . 3.580 3.252 2.252 3.611 0.031 17 0 "[ . 1 . 2]" 1
1036 1 8 ILE MG 1 63 MET ME . . 3.980 4.295 3.280 4.630 0.650 6 8 "[ *+* ** -.* * 2]" 1
1037 1 2 MET HA 1 5 LEU HB2 . . 5.300 3.323 2.582 5.560 0.260 1 0 "[ . 1 . 2]" 1
1038 1 2 MET HA 1 5 LEU HB3 . . 5.300 4.393 2.742 5.347 0.047 13 0 "[ . 1 . 2]" 1
1039 1 2 MET HA 1 5 LEU QD . . 4.800 3.245 2.293 4.790 . 0 0 "[ . 1 . 2]" 1
1040 1 2 MET ME 1 3 GLU H . . 5.050 4.317 3.365 5.604 0.554 3 1 "[ + . 1 . 2]" 1
1041 1 114 SER HA 1 125 VAL MG1 . . 4.540 3.904 2.408 5.000 0.460 15 0 "[ . 1 . 2]" 1
1042 1 114 SER HA 1 125 VAL MG2 . . 4.540 4.232 2.188 5.220 0.680 5 4 "[- + * 1 * . 2]" 1
1043 1 114 SER HA 1 123 MET ME . . 4.540 5.141 4.626 5.345 0.805 4 16 "[***+* ***1***** *-*]" 1
1044 1 12 GLY HA2 1 36 VAL MG2 . . 4.150 3.775 3.503 4.097 . 0 0 "[ . 1 . 2]" 1
1045 1 12 GLY HA3 1 36 VAL MG2 . . 4.150 4.559 4.257 4.740 0.590 2 6 "[ + *- *1 .* * 2]" 1
1046 1 66 PHE QD 1 70 LEU MD2 . . 4.250 3.871 2.423 4.689 0.439 5 0 "[ . 1 . 2]" 1
1047 1 66 PHE QD 1 70 LEU MD1 . . 4.250 4.075 3.271 4.913 0.663 6 7 "[* .+ ** **- 2]" 1
1048 1 66 PHE HZ 1 113 LEU QD . . 4.050 3.646 2.980 4.059 0.009 4 0 "[ . 1 . 2]" 1
1049 1 66 PHE QD 1 106 LEU MD2 . . 4.750 4.821 2.755 5.379 0.629 20 8 "[ -*** * 1 * *. +]" 1
1050 1 66 PHE QE 1 106 LEU MD2 . . 4.550 4.142 2.711 5.081 0.531 13 1 "[ . 1 + . 2]" 1
1051 1 66 PHE QD 1 106 LEU MD1 . . 4.750 4.704 2.913 5.403 0.653 11 2 "[ . 1+ . - 2]" 1
1052 1 66 PHE QE 1 106 LEU MD1 . . 4.550 4.761 2.560 5.114 0.564 7 2 "[ . + 1 . - 2]" 1
1053 1 95 ASP QB 1 97 ILE MD . . 3.900 3.398 2.620 4.207 0.307 15 0 "[ . 1 . 2]" 1
1054 1 97 ILE H 1 142 ALA MB . . 4.900 3.918 2.993 5.093 0.193 17 0 "[ . 1 . 2]" 1
1055 1 97 ILE HB 1 142 ALA MB . . 4.500 4.185 3.928 4.543 0.043 4 0 "[ . 1 . 2]" 1
1056 1 100 LYS H 1 101 ASP H . . 3.000 3.095 2.748 3.341 0.341 17 0 "[ . 1 . 2]" 1
1057 1 101 ASP H 1 102 VAL H . . 3.000 2.658 2.436 2.925 . 0 0 "[ . 1 . 2]" 1
1058 1 102 VAL H 1 103 ASN H . . 3.000 2.765 2.555 2.976 . 0 0 "[ . 1 . 2]" 1
1059 1 103 ASN H 1 104 ARG H . . 3.000 2.570 2.354 2.801 . 0 0 "[ . 1 . 2]" 1
1060 1 104 ARG H 1 105 LYS H . . 3.000 2.686 2.489 2.864 . 0 0 "[ . 1 . 2]" 1
1061 1 105 LYS H 1 106 LEU H . . 3.000 2.783 2.630 2.973 . 0 0 "[ . 1 . 2]" 1
1062 1 106 LEU H 1 107 SER H . . 3.000 2.771 2.630 2.859 . 0 0 "[ . 1 . 2]" 1
1063 1 107 SER H 1 108 ASP H . . 3.000 2.635 2.531 2.789 . 0 0 "[ . 1 . 2]" 1
1064 1 108 ASP H 1 109 VAL H . . 3.000 2.652 2.432 2.829 . 0 0 "[ . 1 . 2]" 1
1065 1 109 VAL H 1 110 TRP H . . 3.000 2.687 2.516 2.854 . 0 0 "[ . 1 . 2]" 1
1066 1 110 TRP H 1 111 LYS H . . 3.000 2.748 2.518 2.870 . 0 0 "[ . 1 . 2]" 1
1067 1 111 LYS H 1 112 GLU H . . 3.000 2.792 2.606 2.953 . 0 0 "[ . 1 . 2]" 1
1068 1 112 GLU H 1 113 LEU H . . 3.000 2.711 2.548 2.844 . 0 0 "[ . 1 . 2]" 1
1069 1 113 LEU H 1 114 SER H . . 3.000 2.718 2.526 2.915 . 0 0 "[ . 1 . 2]" 1
1070 1 114 SER H 1 115 LEU H . . 3.000 2.760 2.580 2.943 . 0 0 "[ . 1 . 2]" 1
1071 1 115 LEU H 1 116 LEU H . . 3.000 2.902 2.749 3.081 0.081 9 0 "[ . 1 . 2]" 1
1072 1 116 LEU H 1 117 LEU H . . 3.000 2.611 2.423 2.703 . 0 0 "[ . 1 . 2]" 1
1073 1 117 LEU H 1 118 GLN H . . 3.000 2.674 2.542 2.826 . 0 0 "[ . 1 . 2]" 1
1074 1 100 LYS HA 1 103 ASN QB . . 4.500 3.545 3.095 4.030 . 0 0 "[ . 1 . 2]" 1
1075 1 102 VAL HA 1 105 LYS QB . . 3.570 2.956 2.284 3.341 . 0 0 "[ . 1 . 2]" 1
1076 1 107 SER HA 1 110 TRP QB . . 4.360 2.736 2.232 3.161 . 0 0 "[ . 1 . 2]" 1
1077 1 108 ASP HA 1 111 LYS QB . . 4.500 3.288 2.534 4.451 . 0 0 "[ . 1 . 2]" 1
1078 1 110 TRP HA 1 113 LEU QB . . 4.500 2.268 1.887 2.633 . 0 0 "[ . 1 . 2]" 1
1079 1 53 SER HB3 1 54 VAL QG . . 4.500 4.425 3.006 5.212 0.712 16 2 "[- . 1 .+ 2]" 1
1080 1 53 SER HB2 1 54 VAL QG . . 4.500 4.541 2.911 5.224 0.724 12 9 "[ **-** 1 +* . * *]" 1
1081 1 46 LEU MD2 1 123 MET ME . . 3.550 2.904 1.813 4.069 0.519 20 2 "[ . 1 - +]" 1
1082 1 46 LEU MD1 1 123 MET ME . . 3.550 2.491 1.827 4.029 0.479 17 0 "[ . 1 . 2]" 1
1083 1 46 LEU HB2 1 123 MET ME . . 4.050 4.072 3.279 4.616 0.566 8 2 "[ . +-1 . 2]" 1
1084 1 46 LEU HB3 1 123 MET ME . . 4.050 3.991 2.685 4.583 0.533 13 1 "[ . 1 + . 2]" 1
1085 1 2 MET QG 1 5 LEU H . . 4.310 4.221 2.408 4.842 0.532 20 2 "[ . 1 - +]" 1
1086 1 2 MET QG 1 5 LEU QD . . 4.100 3.186 2.031 4.759 0.659 5 1 "[ + 1 . 2]" 1
1087 1 3 GLU H 1 3 GLU QG . . 4.870 3.643 2.158 4.499 . 0 0 "[ . 1 . 2]" 1
1088 1 3 GLU QG 1 4 ASN H . . 4.400 3.913 2.596 4.685 0.285 3 0 "[ . 1 . 2]" 1
1089 1 5 LEU H 1 5 LEU QB . . 3.060 2.261 2.133 2.394 . 0 0 "[ . 1 . 2]" 1
1090 1 5 LEU H 1 5 LEU QD . . 3.820 3.134 1.984 3.846 0.026 20 0 "[ . 1 . 2]" 1
1091 1 5 LEU HA 1 5 LEU QD . . 3.220 2.125 1.923 3.035 . 0 0 "[ . 1 . 2]" 1
1092 1 5 LEU QD 1 9 ILE MG . . 4.060 5.023 4.294 5.248 1.188 16 19 "[ ************-*+****]" 1
1093 1 5 LEU QD 1 47 GLN H . . 4.960 4.473 3.487 5.227 0.267 20 0 "[ . 1 . 2]" 1
1094 1 5 LEU QD 1 47 GLN QE . . 4.760 4.417 2.025 5.147 0.387 11 0 "[ . 1 . 2]" 1
1095 1 6 LYS H 1 6 LYS QB . . 3.040 2.246 2.156 2.495 . 0 0 "[ . 1 . 2]" 1
1096 1 6 LYS HA 1 9 ILE QG . . 4.460 3.764 2.393 4.965 0.505 19 1 "[ . 1 . +2]" 1
1097 1 6 LYS HA 1 47 GLN QE . . 3.770 3.071 1.909 4.106 0.336 20 0 "[ . 1 . 2]" 1
1098 1 6 LYS QG 1 47 GLN QE . . 4.480 3.816 2.220 4.697 0.217 3 0 "[ . 1 . 2]" 1
1099 1 6 LYS QE 1 47 GLN QE . . 4.870 3.914 2.574 4.931 0.061 17 0 "[ . 1 . 2]" 1
1100 1 7 HIS HA 1 11 LEU QD . . 5.150 3.958 3.040 4.367 . 0 0 "[ . 1 . 2]" 1
1101 1 8 ILE H 1 8 ILE QG . . 3.630 2.208 1.878 2.396 . 0 0 "[ . 1 . 2]" 1
1102 1 8 ILE HA 1 8 ILE QG . . 3.600 2.429 2.379 2.609 . 0 0 "[ . 1 . 2]" 1
1103 1 8 ILE HA 1 11 LEU QB . . 4.170 2.988 2.617 3.852 . 0 0 "[ . 1 . 2]" 1
1104 1 8 ILE HA 1 70 LEU QD . . 4.170 2.886 1.951 4.037 . 0 0 "[ . 1 . 2]" 1
1105 1 8 ILE MG 1 70 LEU QD . . 3.490 2.177 1.871 2.870 . 0 0 "[ . 1 . 2]" 1
1106 1 8 ILE QG 1 66 PHE QD . . 5.200 3.493 2.628 4.622 . 0 0 "[ . 1 . 2]" 1
1107 1 8 ILE MD 1 70 LEU QD . . 4.690 3.916 3.594 4.455 . 0 0 "[ . 1 . 2]" 1
1108 1 9 ILE HA 1 9 ILE QG . . 3.590 2.811 2.352 3.107 . 0 0 "[ . 1 . 2]" 1
1109 1 9 ILE MG 1 13 GLN QE . . 3.480 2.588 1.862 3.472 . 0 0 "[ . 1 . 2]" 1
1110 1 9 ILE QG 1 44 GLU QG . . 4.620 2.838 1.922 4.410 . 0 0 "[ . 1 . 2]" 1
1111 1 10 THR H 1 13 GLN QB . . 4.990 5.022 4.687 5.515 0.525 1 1 "[+ . 1 . 2]" 1
1112 1 10 THR HA 1 13 GLN QB . . 3.630 3.020 2.710 3.363 . 0 0 "[ . 1 . 2]" 1
1113 1 11 LEU H 1 11 LEU QD . . 3.750 3.157 3.018 3.235 . 0 0 "[ . 1 . 2]" 1
1114 1 11 LEU H 1 70 LEU QD . . 5.440 4.587 4.115 5.432 . 0 0 "[ . 1 . 2]" 1
1115 1 11 LEU HA 1 14 VAL QG . . 4.200 3.359 2.774 3.789 . 0 0 "[ . 1 . 2]" 1
1116 1 11 LEU QB 1 12 GLY H . . 3.570 2.429 2.236 2.814 . 0 0 "[ . 1 . 2]" 1
1117 1 11 LEU HG 1 70 LEU QD . . 5.040 4.897 4.180 5.640 0.600 5 2 "[ + 1 . - 2]" 1
1118 1 11 LEU QD 1 70 LEU H . . 4.400 4.093 3.611 5.102 0.702 5 1 "[ + 1 . 2]" 1
1119 1 11 LEU QD 1 70 LEU QB . . 4.150 2.389 1.951 3.546 . 0 0 "[ . 1 . 2]" 1
1120 1 11 LEU QD 1 71 GLU H . . 4.170 3.013 2.612 3.858 . 0 0 "[ . 1 . 2]" 1
1121 1 11 LEU QD 1 71 GLU QG . . 3.410 2.082 1.794 3.221 . 0 0 "[ . 1 . 2]" 1
1122 1 12 GLY H 1 13 GLN QB . . 4.680 4.617 4.369 4.871 0.191 11 0 "[ . 1 . 2]" 1
1123 1 12 GLY H 1 70 LEU QD . . 4.210 2.969 2.555 3.762 . 0 0 "[ . 1 . 2]" 1
1124 1 12 GLY QA 1 14 VAL H . . 4.350 4.247 4.052 4.397 0.047 3 0 "[ . 1 . 2]" 1
1125 1 12 GLY QA 1 15 ILE MD . . 3.650 2.127 1.832 2.598 . 0 0 "[ . 1 . 2]" 1
1126 1 12 GLY QA 1 36 VAL QG . . 3.100 2.193 2.007 2.561 . 0 0 "[ . 1 . 2]" 1
1127 1 12 GLY QA 1 70 LEU QD . . 4.560 2.440 2.062 2.866 . 0 0 "[ . 1 . 2]" 1
1128 1 13 GLN H 1 13 GLN QB . . 3.630 2.275 2.126 2.511 . 0 0 "[ . 1 . 2]" 1
1129 1 13 GLN H 1 13 GLN QG . . 3.610 3.193 2.252 4.100 0.490 7 0 "[ . 1 . 2]" 1
1130 1 13 GLN H 1 13 GLN QE . . 4.510 4.279 3.698 4.811 0.301 4 0 "[ . 1 . 2]" 1
1131 1 13 GLN H 1 36 VAL QG . . 3.860 4.177 3.899 4.400 0.540 7 1 "[ . + 1 . 2]" 1
1132 1 13 GLN HA 1 13 GLN QG . . 3.540 2.629 2.318 3.040 . 0 0 "[ . 1 . 2]" 1
1133 1 13 GLN HA 1 13 GLN QE . . 4.670 4.109 3.352 4.826 0.156 11 0 "[ . 1 . 2]" 1
1134 1 13 GLN QG 1 14 VAL H . . 4.690 4.148 3.560 4.536 . 0 0 "[ . 1 . 2]" 1
1135 1 13 GLN QG 1 40 ILE MD . . 4.710 2.915 1.839 3.944 . 0 0 "[ . 1 . 2]" 1
1136 1 13 GLN QE 1 40 ILE HB . . 3.710 4.023 3.288 4.236 0.526 18 4 "[ . 1 - ** + 2]" 1
1137 1 13 GLN QE 1 40 ILE MG . . 4.740 4.505 3.968 4.909 0.169 4 0 "[ . 1 . 2]" 1
1138 1 13 GLN QE 1 40 ILE QG . . 4.510 3.706 2.809 4.556 0.046 15 0 "[ . 1 . 2]" 1
1139 1 13 GLN QE 1 40 ILE MD . . 4.270 2.721 2.213 3.207 . 0 0 "[ . 1 . 2]" 1
1140 1 14 VAL H 1 14 VAL QG . . 3.170 2.202 2.104 2.464 . 0 0 "[ . 1 . 2]" 1
1141 1 14 VAL HA 1 14 VAL QG . . 2.950 2.190 2.176 2.216 . 0 0 "[ . 1 . 2]" 1
1142 1 14 VAL QG 1 15 ILE H . . 4.470 3.349 3.198 3.488 . 0 0 "[ . 1 . 2]" 1
1143 1 14 VAL QG 1 18 ARG H . . 5.080 3.775 3.446 3.977 . 0 0 "[ . 1 . 2]" 1
1144 1 14 VAL QG 1 18 ARG QG . . 4.140 3.158 2.716 3.513 . 0 0 "[ . 1 . 2]" 1
1145 1 15 ILE H 1 15 ILE QG . . 3.210 2.588 2.314 2.799 . 0 0 "[ . 1 . 2]" 1
1146 1 15 ILE HA 1 15 ILE QG . . 3.600 2.358 2.287 2.417 . 0 0 "[ . 1 . 2]" 1
1147 1 15 ILE HA 1 19 CYS QB . . 4.810 4.122 3.746 4.478 . 0 0 "[ . 1 . 2]" 1
1148 1 15 ILE MG 1 19 CYS QB . . 3.510 3.007 2.704 3.218 . 0 0 "[ . 1 . 2]" 1
1149 1 15 ILE QG 1 74 ASN H . . 4.260 3.263 3.031 3.812 . 0 0 "[ . 1 . 2]" 1
1150 1 15 ILE QG 1 74 ASN HA . . 3.330 2.298 2.076 2.679 . 0 0 "[ . 1 . 2]" 1
1151 1 15 ILE QG 1 74 ASN QB . . 3.210 2.464 2.226 2.703 . 0 0 "[ . 1 . 2]" 1
1152 1 15 ILE MD 1 74 ASN QB . . 3.470 2.698 2.344 3.048 . 0 0 "[ . 1 . 2]" 1
1153 1 16 HIS HA 1 19 CYS QB . . 4.050 2.736 2.097 3.239 . 0 0 "[ . 1 . 2]" 1
1154 1 16 HIS HA 1 33 GLY QA . . 4.100 3.487 2.723 4.105 0.005 12 0 "[ . 1 . 2]" 1
1155 1 16 HIS HA 1 37 LEU QD . . 4.610 4.384 3.516 4.782 0.172 13 0 "[ . 1 . 2]" 1
1156 1 16 HIS QB 1 36 VAL QG . . 4.780 2.939 1.847 3.524 . 0 0 "[ . 1 . 2]" 1
1157 1 17 LYS H 1 17 LYS QG . . 4.050 3.536 2.324 4.060 0.010 1 0 "[ . 1 . 2]" 1
1158 1 17 LYS HA 1 20 GLU QG . . 4.500 3.581 1.972 4.731 0.231 6 0 "[ . 1 . 2]" 1
1159 1 17 LYS QE 1 17 LYS QG . . 3.090 2.357 2.160 2.901 . 0 0 "[ . 1 . 2]" 1
1160 1 18 ARG H 1 18 ARG QB . . 3.660 2.598 2.388 2.761 . 0 0 "[ . 1 . 2]" 1
1161 1 18 ARG H 1 19 CYS QB . . 4.350 4.293 4.084 4.506 0.156 2 0 "[ . 1 . 2]" 1
1162 1 18 ARG QB 1 18 ARG QD . . 3.420 2.408 2.240 2.513 . 0 0 "[ . 1 . 2]" 1
1163 1 18 ARG QG 1 20 GLU H . . 4.600 4.741 4.605 5.004 0.404 5 0 "[ . 1 . 2]" 1
1164 1 19 CYS H 1 19 CYS QB . . 2.950 2.287 2.243 2.316 . 0 0 "[ . 1 . 2]" 1
1165 1 19 CYS QB 1 32 LEU HG . . 4.310 4.234 3.532 4.812 0.502 20 1 "[ . 1 . +]" 1
1166 1 19 CYS QB 1 77 ILE MG . . 3.690 2.683 2.190 3.077 . 0 0 "[ . 1 . 2]" 1
1167 1 19 CYS QB 1 77 ILE QG . . 3.820 4.287 4.215 4.411 0.591 10 6 "[ *- .* + * . *2]" 1
1168 1 19 CYS QB 1 77 ILE MD . . 3.690 2.343 2.200 2.540 . 0 0 "[ . 1 . 2]" 1
1169 1 20 GLU H 1 20 GLU QB . . 3.090 2.479 2.366 2.722 . 0 0 "[ . 1 . 2]" 1
1170 1 20 GLU HA 1 20 GLU QG . . 3.500 2.962 2.414 3.547 0.047 7 0 "[ . 1 . 2]" 1
1171 1 20 GLU QB 1 21 GLU H . . 4.320 3.443 2.734 3.907 . 0 0 "[ . 1 . 2]" 1
1172 1 21 GLU H 1 21 GLU QB . . 3.100 2.393 2.117 2.631 . 0 0 "[ . 1 . 2]" 1
1173 1 21 GLU H 1 21 GLU QG . . 3.460 2.596 2.114 4.021 0.561 5 1 "[ + 1 . 2]" 1
1174 1 21 GLU HA 1 21 GLU QG . . 3.210 2.973 2.597 3.394 0.184 1 0 "[ . 1 . 2]" 1
1175 1 21 GLU QB 1 22 MET H . . 4.370 3.151 2.528 3.896 . 0 0 "[ . 1 . 2]" 1
1176 1 21 GLU QB 1 83 ARG QD . . 4.710 4.538 3.126 5.316 0.606 5 2 "[ + 1 .- 2]" 1
1177 1 21 GLU QB 1 83 ARG HE . . 4.660 3.675 2.643 5.144 0.484 1 0 "[ . 1 . 2]" 1
1178 1 21 GLU QG 1 22 MET H . . 5.040 4.187 2.733 4.831 . 0 0 "[ . 1 . 2]" 1
1179 1 21 GLU QG 1 81 SER H . . 4.800 5.094 4.822 5.392 0.592 1 4 "[+ * . 1- .* 2]" 1
1180 1 21 GLU QG 1 81 SER HA . . 4.800 3.285 2.723 3.691 . 0 0 "[ . 1 . 2]" 1
1181 1 21 GLU QG 1 81 SER QB . . 3.820 2.917 2.204 4.323 0.503 1 1 "[+ . 1 . 2]" 1
1182 1 22 MET H 1 22 MET QG . . 3.270 2.395 2.182 3.464 0.194 5 0 "[ . 1 . 2]" 1
1183 1 22 MET ME 1 98 LEU QD . . 4.570 4.318 3.737 5.058 0.488 8 0 "[ . 1 . 2]" 1
1184 1 23 LYS H 1 23 LYS QB . . 3.660 2.248 2.143 2.558 . 0 0 "[ . 1 . 2]" 1
1185 1 23 LYS HA 1 23 LYS QG . . 3.570 2.577 2.312 3.181 . 0 0 "[ . 1 . 2]" 1
1186 1 23 LYS QB 1 23 LYS QE . . 4.570 2.626 1.938 3.690 . 0 0 "[ . 1 . 2]" 1
1187 1 23 LYS QB 1 24 TYR H . . 3.760 2.619 2.257 3.064 . 0 0 "[ . 1 . 2]" 1
1188 1 23 LYS QB 1 83 ARG QG . . 3.110 2.869 1.697 3.484 0.374 6 0 "[ . 1 . 2]" 1
1189 1 24 TYR H 1 24 TYR QB . . 3.340 2.389 2.271 2.537 . 0 0 "[ . 1 . 2]" 1
1190 1 24 TYR QB 1 25 CYS H . . 4.120 2.317 1.979 2.765 . 0 0 "[ . 1 . 2]" 1
1191 1 24 TYR QD 1 152 LEU QD . . 3.460 3.021 2.366 3.711 0.251 20 0 "[ . 1 . 2]" 1
1192 1 24 TYR QE 1 152 LEU QD . . 3.470 2.111 1.731 2.846 . 0 0 "[ . 1 . 2]" 1
1193 1 25 CYS H 1 25 CYS QB . . 3.520 3.260 2.893 3.363 . 0 0 "[ . 1 . 2]" 1
1194 1 25 CYS HA 1 26 LYS QG . . 4.450 4.198 3.797 4.920 0.470 12 0 "[ . 1 . 2]" 1
1195 1 25 CYS QB 1 86 ILE MD . . 4.830 2.876 2.246 3.551 . 0 0 "[ . 1 . 2]" 1
1196 1 25 CYS QB 1 98 LEU QD . . 3.290 2.462 2.143 2.932 . 0 0 "[ . 1 . 2]" 1
1197 1 25 CYS QB 1 149 PHE QE . . 3.860 3.762 3.201 4.286 0.426 15 0 "[ . 1 . 2]" 1
1198 1 26 LYS H 1 26 LYS QG . . 3.280 2.216 1.869 3.173 . 0 0 "[ . 1 . 2]" 1
1199 1 26 LYS HA 1 26 LYS QG . . 3.590 2.829 2.393 3.396 . 0 0 "[ . 1 . 2]" 1
1200 1 26 LYS QE 1 26 LYS QG . . 3.310 2.341 2.133 2.854 . 0 0 "[ . 1 . 2]" 1
1201 1 26 LYS QG 1 27 LYS H . . 4.830 3.516 1.874 4.359 . 0 0 "[ . 1 . 2]" 1
1202 1 27 LYS H 1 27 LYS QB . . 3.410 2.382 2.150 2.617 . 0 0 "[ . 1 . 2]" 1
1203 1 27 LYS HA 1 30 ARG QD . . 4.850 3.115 2.224 4.473 . 0 0 "[ . 1 . 2]" 1
1204 1 27 LYS QB 1 28 GLN H . . 3.990 2.706 2.390 3.158 . 0 0 "[ . 1 . 2]" 1
1205 1 28 GLN QE 1 98 LEU QD . . 4.070 3.304 1.911 4.631 0.561 14 2 "[ . - +. 2]" 1
1206 1 29 CYS HA 1 32 LEU QD . . 5.370 3.662 2.930 4.536 . 0 0 "[ . 1 . 2]" 1
1207 1 29 CYS QB 1 30 ARG H . . 3.980 2.603 2.380 3.012 . 0 0 "[ . 1 . 2]" 1
1208 1 30 ARG HA 1 30 ARG QD . . 4.030 3.739 2.079 4.332 0.302 19 0 "[ . 1 . 2]" 1
1209 1 31 ARG H 1 31 ARG QB . . 3.450 2.299 2.126 2.706 . 0 0 "[ . 1 . 2]" 1
1210 1 31 ARG HA 1 35 ARG QG . . 4.390 4.099 3.654 4.684 0.294 17 0 "[ . 1 . 2]" 1
1211 1 31 ARG HA 1 35 ARG QD . . 4.820 4.784 3.848 5.452 0.632 13 2 "[ . - 1 + . 2]" 1
1212 1 31 ARG QB 1 31 ARG QD . . 3.330 2.395 2.118 2.831 . 0 0 "[ . 1 . 2]" 1
1213 1 32 LEU H 1 32 LEU QB . . 3.280 2.250 2.133 2.318 . 0 0 "[ . 1 . 2]" 1
1214 1 32 LEU HA 1 32 LEU QD . . 3.380 2.215 1.974 2.335 . 0 0 "[ . 1 . 2]" 1
1215 1 32 LEU QB 1 33 GLY H . . 3.920 2.441 2.258 2.618 . 0 0 "[ . 1 . 2]" 1
1216 1 32 LEU QB 1 99 PHE QD . . 5.230 4.004 3.109 5.376 0.146 11 0 "[ . 1 . 2]" 1
1217 1 32 LEU QD 1 33 GLY H . . 4.440 3.744 3.255 4.008 . 0 0 "[ . 1 . 2]" 1
1218 1 32 LEU QD 1 33 GLY QA . . 5.010 3.855 2.801 4.196 . 0 0 "[ . 1 . 2]" 1
1219 1 32 LEU QD 1 35 ARG QD . . 3.850 3.562 2.389 4.081 0.231 10 0 "[ . 1 . 2]" 1
1220 1 32 LEU QD 1 36 VAL H . . 5.060 3.899 3.572 4.097 . 0 0 "[ . 1 . 2]" 1
1221 1 32 LEU QD 1 36 VAL HB . . 5.440 4.093 3.331 4.484 . 0 0 "[ . 1 . 2]" 1
1222 1 32 LEU QD 1 73 ALA H . . 5.440 5.343 4.719 5.977 0.537 11 1 "[ . 1+ . 2]" 1
1223 1 32 LEU QD 1 73 ALA HA . . 4.530 4.033 3.373 4.550 0.020 11 0 "[ . 1 . 2]" 1
1224 1 32 LEU QD 1 77 ILE H . . 5.370 4.522 4.129 4.983 . 0 0 "[ . 1 . 2]" 1
1225 1 32 LEU QD 1 77 ILE QG . . 3.950 3.758 3.290 4.077 0.127 15 0 "[ . 1 . 2]" 1
1226 1 32 LEU MD1 1 77 ILE HG13 . . 6.350 6.290 4.605 6.766 0.416 3 0 "[ . 1 . 2]" 1
1227 1 32 LEU MD2 1 77 ILE HG12 . . 6.350 4.238 3.462 5.346 . 0 0 "[ . 1 . 2]" 1
1228 1 32 LEU QD 1 99 PHE QD . . 3.490 2.989 2.689 3.437 . 0 0 "[ . 1 . 2]" 1
1229 1 32 LEU QD 1 99 PHE HZ . . 3.620 2.893 2.247 3.951 0.331 7 0 "[ . 1 . 2]" 1
1230 1 33 GLY QA 1 36 VAL HB . . 3.690 3.021 2.537 3.702 0.012 2 0 "[ . 1 . 2]" 1
1231 1 33 GLY QA 1 36 VAL QG . . 4.360 3.448 2.914 3.982 . 0 0 "[ . 1 . 2]" 1
1232 1 34 HIS H 1 34 HIS QB . . 2.950 2.269 2.209 2.431 . 0 0 "[ . 1 . 2]" 1
1233 1 34 HIS QB 1 35 ARG H . . 3.570 2.557 2.337 2.844 . 0 0 "[ . 1 . 2]" 1
1234 1 35 ARG H 1 35 ARG QG . . 4.110 2.591 2.231 3.349 . 0 0 "[ . 1 . 2]" 1
1235 1 35 ARG H 1 35 ARG QD . . 4.350 3.857 3.454 4.463 0.113 10 0 "[ . 1 . 2]" 1
1236 1 35 ARG QB 1 36 VAL H . . 4.100 2.321 2.054 2.534 . 0 0 "[ . 1 . 2]" 1
1237 1 35 ARG QB 1 134 TRP HZ2 . . 3.880 3.511 2.800 4.197 0.317 3 0 "[ . 1 . 2]" 1
1238 1 35 ARG HE 1 103 ASN QB . . 5.340 5.470 4.469 5.979 0.639 14 3 "[ . 1 - +* 2]" 1
1239 1 36 VAL H 1 36 VAL QG . . 3.460 2.187 2.090 2.266 . 0 0 "[ . 1 . 2]" 1
1240 1 36 VAL HA 1 36 VAL QG . . 3.060 2.177 2.164 2.190 . 0 0 "[ . 1 . 2]" 1
1241 1 36 VAL HA 1 39 LEU QB . . 4.030 2.619 2.289 3.051 . 0 0 "[ . 1 . 2]" 1
1242 1 36 VAL HA 1 39 LEU QD . . 3.660 2.824 2.171 3.755 0.095 11 0 "[ . 1 . 2]" 1
1243 1 36 VAL QG 1 37 LEU H . . 3.350 3.097 2.801 3.261 . 0 0 "[ . 1 . 2]" 1
1244 1 36 VAL QG 1 37 LEU HA . . 4.500 3.287 2.830 3.555 . 0 0 "[ . 1 . 2]" 1
1245 1 36 VAL QG 1 38 GLY H . . 5.090 4.696 4.587 4.815 . 0 0 "[ . 1 . 2]" 1
1246 1 36 VAL QG 1 39 LEU H . . 4.650 4.306 4.151 4.506 . 0 0 "[ . 1 . 2]" 1
1247 1 37 LEU H 1 37 LEU QD . . 3.740 3.073 2.298 3.738 . 0 0 "[ . 1 . 2]" 1
1248 1 37 LEU HA 1 37 LEU QD . . 3.260 2.087 1.944 2.499 . 0 0 "[ . 1 . 2]" 1
1249 1 37 LEU QB 1 38 GLY H . . 3.520 2.582 2.406 2.744 . 0 0 "[ . 1 . 2]" 1
1250 1 37 LEU QD 1 40 ILE MG . . 4.540 4.336 4.044 4.531 . 0 0 "[ . 1 . 2]" 1
1251 1 37 LEU QD 1 40 ILE MD . . 4.240 2.085 1.789 2.821 . 0 0 "[ . 1 . 2]" 1
1252 1 39 LEU H 1 39 LEU QB . . 3.040 2.383 2.185 2.517 . 0 0 "[ . 1 . 2]" 1
1253 1 39 LEU HA 1 39 LEU QD . . 3.210 2.082 1.910 2.359 . 0 0 "[ . 1 . 2]" 1
1254 1 39 LEU QD 1 40 ILE H . . 5.100 4.076 3.684 4.241 . 0 0 "[ . 1 . 2]" 1
1255 1 39 LEU QD 1 110 TRP QB . . 4.130 2.433 2.152 2.737 . 0 0 "[ . 1 . 2]" 1
1256 1 39 LEU QD 1 110 TRP HE1 . . 4.040 3.420 2.859 4.169 0.129 17 0 "[ . 1 . 2]" 1
1257 1 39 LEU QD 1 110 TRP HZ2 . . 4.040 3.879 3.504 4.270 0.230 11 0 "[ . 1 . 2]" 1
1258 1 40 ILE QG 1 41 LYS H . . 3.510 2.356 2.174 2.602 . 0 0 "[ . 1 . 2]" 1
1259 1 41 LYS HA 1 44 GLU QB . . 3.990 2.544 2.098 3.727 . 0 0 "[ . 1 . 2]" 1
1260 1 41 LYS QG 1 45 MET QG . . 4.680 3.958 2.730 5.297 0.617 2 1 "[ + . 1 . 2]" 1
1261 1 41 LYS QD 1 45 MET QG . . 4.560 4.393 3.118 5.226 0.666 16 8 "[* * . * 1*- .+* *2]" 1
1262 1 42 PRO QB 1 43 LEU H . . 3.880 2.836 2.297 3.263 . 0 0 "[ . 1 . 2]" 1
1263 1 42 PRO QB 1 43 LEU QB . . 4.800 4.473 4.037 4.885 0.085 20 0 "[ . 1 . 2]" 1
1264 1 42 PRO QB 1 43 LEU QD . . 4.700 2.481 1.997 3.072 . 0 0 "[ . 1 . 2]" 1
1265 1 42 PRO QG 1 43 LEU H . . 4.530 3.006 2.204 3.943 . 0 0 "[ . 1 . 2]" 1
1266 1 42 PRO QD 1 43 LEU H . . 3.660 2.820 2.405 3.132 . 0 0 "[ . 1 . 2]" 1
1267 1 43 LEU H 1 43 LEU QB . . 3.150 2.307 2.178 2.396 . 0 0 "[ . 1 . 2]" 1
1268 1 43 LEU H 1 43 LEU QD . . 3.480 2.257 2.123 2.512 . 0 0 "[ . 1 . 2]" 1
1269 1 43 LEU HA 1 43 LEU QD . . 3.180 2.002 1.919 2.074 . 0 0 "[ . 1 . 2]" 1
1270 1 43 LEU QB 1 44 GLU H . . 4.040 2.909 2.677 3.122 . 0 0 "[ . 1 . 2]" 1
1271 1 43 LEU QD 1 110 TRP HZ3 . . 4.380 2.274 1.713 3.038 . 0 0 "[ . 1 . 2]" 1
1272 1 43 LEU QD 1 123 MET QB . . 4.000 4.698 4.175 5.146 1.146 1 14 "[+ * * *******-.*** 2]" 1
1273 1 44 GLU H 1 44 GLU QB . . 3.080 2.419 2.229 2.604 . 0 0 "[ . 1 . 2]" 1
1274 1 44 GLU H 1 44 GLU QG . . 3.220 2.502 2.239 2.971 . 0 0 "[ . 1 . 2]" 1
1275 1 44 GLU HA 1 44 GLU QG . . 3.060 2.478 2.340 3.391 0.331 8 0 "[ . 1 . 2]" 1
1276 1 44 GLU HA 1 47 GLN QB . . 3.140 2.335 1.793 2.907 . 0 0 "[ . 1 . 2]" 1
1277 1 44 GLU HA 1 47 GLN QE . . 4.550 3.809 1.992 4.883 0.333 19 0 "[ . 1 . 2]" 1
1278 1 44 GLU QB 1 45 MET H . . 3.950 2.683 2.283 3.723 . 0 0 "[ . 1 . 2]" 1
1279 1 44 GLU QG 1 47 GLN QE . . 3.860 4.145 3.532 4.476 0.616 9 5 "[ - . * +* * 2]" 1
1280 1 45 MET H 1 45 MET QG . . 3.310 2.276 2.075 2.432 . 0 0 "[ . 1 . 2]" 1
1281 1 45 MET QG 1 46 LEU H . . 5.180 4.010 2.271 4.297 . 0 0 "[ . 1 . 2]" 1
1282 1 46 LEU H 1 46 LEU QB . . 3.140 2.516 2.350 2.773 . 0 0 "[ . 1 . 2]" 1
1283 1 46 LEU H 1 46 LEU QD . . 3.450 3.043 2.730 3.206 . 0 0 "[ . 1 . 2]" 1
1284 1 46 LEU QB 1 47 GLN H . . 3.900 3.108 2.211 3.746 . 0 0 "[ . 1 . 2]" 1
1285 1 46 LEU QD 1 47 GLN H . . 4.700 3.558 2.403 4.393 . 0 0 "[ . 1 . 2]" 1
1286 1 47 GLN H 1 47 GLN QB . . 2.900 2.243 2.179 2.313 . 0 0 "[ . 1 . 2]" 1
1287 1 48 ASP H 1 48 ASP QB . . 3.200 2.300 2.219 2.523 . 0 0 "[ . 1 . 2]" 1
1288 1 48 ASP H 1 49 GLN QE . . 5.340 5.204 4.400 6.103 0.763 12 3 "[ .- 1 + . *2]" 1
1289 1 48 ASP QB 1 49 GLN H . . 3.720 2.593 2.324 3.099 . 0 0 "[ . 1 . 2]" 1
1290 1 48 ASP QB 1 49 GLN QE . . 4.720 4.096 2.945 5.233 0.513 6 1 "[ .+ 1 . 2]" 1
1291 1 49 GLN H 1 49 GLN QE . . 5.340 3.689 2.964 4.879 . 0 0 "[ . 1 . 2]" 1
1292 1 49 GLN HA 1 49 GLN QE . . 4.710 4.190 2.490 4.922 0.212 10 0 "[ . 1 . 2]" 1
1293 1 51 LYS QB 1 51 LYS QE . . 4.270 3.206 2.059 3.949 . 0 0 "[ . 1 . 2]" 1
1294 1 53 SER QB 1 54 VAL HA . . 4.400 4.283 3.929 4.606 0.206 12 0 "[ . 1 . 2]" 1
1295 1 53 SER QB 1 55 PRO QD . . 4.220 3.807 2.141 4.668 0.448 11 0 "[ . 1 . 2]" 1
1296 1 54 VAL H 1 55 PRO QG . . 4.930 5.025 4.239 5.595 0.665 7 4 "[ - . + *1 * . 2]" 1
1297 1 54 VAL QG 1 55 PRO QD . . 3.770 3.177 2.753 3.608 . 0 0 "[ . 1 . 2]" 1
1298 1 55 PRO HA 1 59 LEU QB . . 4.890 3.178 2.036 4.117 . 0 0 "[ . 1 . 2]" 1
1299 1 55 PRO HA 1 59 LEU QD . . 3.550 2.691 1.732 4.015 0.465 11 0 "[ . 1 . 2]" 1
1300 1 55 PRO QB 1 56 SER H . . 3.470 3.200 1.873 3.923 0.453 6 0 "[ . 1 . 2]" 1
1301 1 55 PRO QB 1 59 LEU QB . . 3.660 3.084 1.799 4.176 0.516 12 1 "[ . 1 + . 2]" 1
1302 1 55 PRO QB 1 59 LEU QD . . 3.080 2.919 1.974 3.489 0.409 1 0 "[ . 1 . 2]" 1
1303 1 56 SER H 1 59 LEU QB . . 4.150 2.324 1.795 2.778 . 0 0 "[ . 1 . 2]" 1
1304 1 56 SER H 1 59 LEU QD . . 3.980 2.751 1.718 3.818 . 0 0 "[ . 1 . 2]" 1
1305 1 56 SER HA 1 59 LEU QD . . 5.280 4.839 4.027 5.535 0.255 9 0 "[ . 1 . 2]" 1
1306 1 56 SER QB 1 58 LYS H . . 4.850 3.229 2.632 3.824 . 0 0 "[ . 1 . 2]" 1
1307 1 56 SER QB 1 58 LYS QG . . 3.760 2.925 1.927 4.016 0.256 4 0 "[ . 1 . 2]" 1
1308 1 56 SER QB 1 59 LEU QD . . 5.280 3.419 1.881 4.608 . 0 0 "[ . 1 . 2]" 1
1309 1 58 LYS HA 1 58 LYS QG . . 3.680 3.270 2.425 3.547 . 0 0 "[ . 1 . 2]" 1
1310 1 58 LYS QB 1 58 LYS QE . . 4.540 3.444 1.937 3.906 . 0 0 "[ . 1 . 2]" 1
1311 1 58 LYS QB 1 116 LEU QD . . 3.930 2.772 1.766 3.803 . 0 0 "[ . 1 . 2]" 1
1312 1 58 LYS QG 1 59 LEU H . . 4.260 2.668 1.920 4.099 . 0 0 "[ . 1 . 2]" 1
1313 1 58 LYS QD 1 116 LEU QD . . 3.930 2.896 1.858 4.086 0.156 4 0 "[ . 1 . 2]" 1
1314 1 58 LYS QE 1 59 LEU QB . . 4.860 4.176 2.968 5.577 0.717 4 1 "[ +. 1 . 2]" 1
1315 1 58 LYS QE 1 59 LEU QD . . 3.590 3.676 2.305 4.258 0.668 10 6 "[ * -+ . * **]" 1
1316 1 58 LYS QE 1 116 LEU QD . . 3.790 3.224 2.136 4.076 0.286 11 0 "[ . 1 . 2]" 1
1317 1 59 LEU H 1 59 LEU QB . . 3.020 2.217 2.061 2.450 . 0 0 "[ . 1 . 2]" 1
1318 1 59 LEU HA 1 59 LEU QD . . 3.810 2.116 1.954 2.334 . 0 0 "[ . 1 . 2]" 1
1319 1 59 LEU HA 1 116 LEU QD . . 3.430 2.516 1.908 3.075 . 0 0 "[ . 1 . 2]" 1
1320 1 59 LEU HA 1 117 LEU QD . . 4.600 4.624 3.752 5.094 0.494 17 0 "[ . 1 . 2]" 1
1321 1 59 LEU QB 1 60 THR H . . 3.260 2.466 2.219 2.875 . 0 0 "[ . 1 . 2]" 1
1322 1 59 LEU QD 1 60 THR H . . 4.600 3.752 3.053 4.179 . 0 0 "[ . 1 . 2]" 1
1323 1 59 LEU QD 1 62 ALA H . . 4.780 4.612 4.006 5.051 0.271 10 0 "[ . 1 . 2]" 1
1324 1 59 LEU QD 1 63 MET H . . 4.380 4.151 3.149 4.980 0.600 15 3 "[- . * + 2]" 1
1325 1 59 LEU QD 1 63 MET QG . . 4.030 2.809 1.992 3.995 . 0 0 "[ . 1 . 2]" 1
1326 1 59 LEU QD 1 117 LEU H . . 4.210 4.489 3.667 4.782 0.572 19 3 "[- . 1 . * +2]" 1
1327 1 59 LEU QD 1 117 LEU QD . . 3.240 2.177 1.776 2.748 . 0 0 "[ . 1 . 2]" 1
1328 1 59 LEU QD 1 121 GLN H . . 5.440 4.500 2.776 5.986 0.546 12 1 "[ . 1 + . 2]" 1
1329 1 59 LEU QD 1 121 GLN QB . . 4.950 3.862 2.140 4.859 . 0 0 "[ . 1 . 2]" 1
1330 1 59 LEU QD 1 121 GLN QG . . 3.940 2.894 1.924 3.937 . 0 0 "[ . 1 . 2]" 1
1331 1 59 LEU QD 1 121 GLN QE . . 4.120 2.928 1.714 4.378 0.258 16 0 "[ . 1 . 2]" 1
1332 1 60 THR HA 1 63 MET QB . . 3.600 2.655 2.255 3.266 . 0 0 "[ . 1 . 2]" 1
1333 1 60 THR MG 1 64 ASN QB . . 5.010 4.125 3.951 4.382 . 0 0 "[ . 1 . 2]" 1
1334 1 61 THR HA 1 64 ASN QB . . 3.460 2.560 2.255 2.906 . 0 0 "[ . 1 . 2]" 1
1335 1 61 THR HA 1 64 ASN QD . . 4.410 2.331 1.909 2.582 . 0 0 "[ . 1 . 2]" 1
1336 1 61 THR HB 1 64 ASN QD . . 4.790 5.085 4.625 5.334 0.544 12 4 "[* . 1 + *. - 2]" 1
1337 1 61 THR MG 1 64 ASN QB . . 4.800 3.662 3.316 4.011 . 0 0 "[ . 1 . 2]" 1
1338 1 62 ALA H 1 116 LEU QD . . 4.320 3.860 3.406 4.402 0.082 20 0 "[ . 1 . 2]" 1
1339 1 62 ALA MB 1 113 LEU QD . . 3.970 2.110 1.767 2.523 . 0 0 "[ . 1 . 2]" 1
1340 1 62 ALA MB 1 116 LEU QD . . 3.250 2.038 1.708 2.559 . 0 0 "[ . 1 . 2]" 1
1341 1 63 MET H 1 63 MET QB . . 3.030 2.394 2.245 2.491 . 0 0 "[ . 1 . 2]" 1
1342 1 63 MET H 1 113 LEU QD . . 4.120 3.628 3.334 3.910 . 0 0 "[ . 1 . 2]" 1
1343 1 63 MET ME 1 63 MET QG . . 3.090 2.273 2.230 2.409 . 0 0 "[ . 1 . 2]" 1
1344 1 63 MET QG 1 64 ASN H . . 4.860 4.375 4.145 4.631 . 0 0 "[ . 1 . 2]" 1
1345 1 63 MET QG 1 113 LEU QD . . 3.150 3.239 2.872 3.605 0.455 1 0 "[ . 1 . 2]" 1
1346 1 64 ASN H 1 64 ASN QB . . 2.960 2.393 2.310 2.481 . 0 0 "[ . 1 . 2]" 1
1347 1 64 ASN H 1 64 ASN QD . . 4.180 3.563 2.647 3.720 . 0 0 "[ . 1 . 2]" 1
1348 1 64 ASN QB 1 64 ASN QD . . 3.070 2.145 2.117 2.169 . 0 0 "[ . 1 . 2]" 1
1349 1 64 ASN QB 1 65 ARG H . . 3.420 2.618 2.495 2.825 . 0 0 "[ . 1 . 2]" 1
1350 1 65 ARG H 1 65 ARG QB . . 3.290 2.429 2.116 2.588 . 0 0 "[ . 1 . 2]" 1
1351 1 65 ARG H 1 65 ARG QG . . 4.260 2.460 2.122 3.945 . 0 0 "[ . 1 . 2]" 1
1352 1 65 ARG H 1 109 VAL QG . . 5.000 3.831 3.597 4.268 . 0 0 "[ . 1 . 2]" 1
1353 1 65 ARG HA 1 65 ARG QG . . 3.260 2.534 2.424 2.670 . 0 0 "[ . 1 . 2]" 1
1354 1 65 ARG QD 1 109 VAL QG . . 5.440 2.839 1.929 3.278 . 0 0 "[ . 1 . 2]" 1
1355 1 66 PHE H 1 66 PHE QB . . 3.080 2.156 2.114 2.203 . 0 0 "[ . 1 . 2]" 1
1356 1 66 PHE H 1 109 VAL QG . . 3.700 2.570 2.385 2.916 . 0 0 "[ . 1 . 2]" 1
1357 1 66 PHE HA 1 70 LEU QD . . 5.290 3.965 3.108 4.562 . 0 0 "[ . 1 . 2]" 1
1358 1 66 PHE HA 1 109 VAL QG . . 3.250 2.400 1.996 2.741 . 0 0 "[ . 1 . 2]" 1
1359 1 66 PHE QB 1 67 LYS H . . 4.040 2.339 2.079 2.579 . 0 0 "[ . 1 . 2]" 1
1360 1 66 PHE QB 1 67 LYS HA . . 4.290 4.012 3.849 4.176 . 0 0 "[ . 1 . 2]" 1
1361 1 66 PHE QB 1 109 VAL QG . . 3.600 2.268 2.060 2.483 . 0 0 "[ . 1 . 2]" 1
1362 1 66 PHE QD 1 109 VAL QG . . 3.380 2.690 2.284 3.128 . 0 0 "[ . 1 . 2]" 1
1363 1 66 PHE QE 1 70 LEU QD . . 3.710 3.275 2.577 3.943 0.233 9 0 "[ . 1 . 2]" 1
1364 1 66 PHE HZ 1 70 LEU QD . . 4.220 3.950 3.511 4.588 0.368 9 0 "[ . 1 . 2]" 1
1365 1 67 LYS H 1 67 LYS QB . . 3.120 2.199 2.147 2.276 . 0 0 "[ . 1 . 2]" 1
1366 1 67 LYS H 1 67 LYS QG . . 4.680 3.997 3.933 4.044 . 0 0 "[ . 1 . 2]" 1
1367 1 67 LYS HA 1 67 LYS QG . . 3.370 2.584 2.482 2.778 . 0 0 "[ . 1 . 2]" 1
1368 1 67 LYS HA 1 71 GLU QG . . 4.720 4.074 3.817 4.366 . 0 0 "[ . 1 . 2]" 1
1369 1 67 LYS QB 1 68 ALA H . . 4.440 2.462 2.309 2.639 . 0 0 "[ . 1 . 2]" 1
1370 1 67 LYS QG 1 71 GLU QG . . 4.160 2.989 2.337 3.893 . 0 0 "[ . 1 . 2]" 1
1371 1 67 LYS QE 1 71 GLU QG . . 3.940 3.879 2.554 4.647 0.707 8 6 "[* . + 1** *. - 2]" 1
1372 1 69 ALA H 1 70 LEU QB . . 4.700 4.569 4.407 4.769 0.069 14 0 "[ . 1 . 2]" 1
1373 1 69 ALA H 1 109 VAL QG . . 4.900 4.317 3.953 4.693 . 0 0 "[ . 1 . 2]" 1
1374 1 69 ALA MB 1 70 LEU QD . . 5.070 3.231 2.469 3.802 . 0 0 "[ . 1 . 2]" 1
1375 1 69 ALA MB 1 106 LEU QD . . 3.380 1.827 1.746 2.094 . 0 0 "[ . 1 . 2]" 1
1376 1 69 ALA MB 1 109 VAL QG . . 4.200 3.035 2.566 3.345 . 0 0 "[ . 1 . 2]" 1
1377 1 70 LEU H 1 70 LEU QB . . 3.130 2.336 2.176 2.430 . 0 0 "[ . 1 . 2]" 1
1378 1 70 LEU H 1 106 LEU QD . . 4.350 3.586 3.038 3.856 . 0 0 "[ . 1 . 2]" 1
1379 1 70 LEU HA 1 70 LEU QD . . 3.770 2.072 2.001 2.542 . 0 0 "[ . 1 . 2]" 1
1380 1 70 LEU HA 1 106 LEU QD . . 3.190 2.823 2.594 3.127 . 0 0 "[ . 1 . 2]" 1
1381 1 70 LEU QB 1 71 GLU H . . 3.160 2.848 2.585 2.977 . 0 0 "[ . 1 . 2]" 1
1382 1 70 LEU QD 1 71 GLU H . . 5.410 4.202 3.954 4.356 . 0 0 "[ . 1 . 2]" 1
1383 1 70 LEU QD 1 106 LEU QD . . 3.550 2.043 1.864 2.287 . 0 0 "[ . 1 . 2]" 1
1384 1 71 GLU H 1 71 GLU QG . . 3.350 2.364 2.202 2.578 . 0 0 "[ . 1 . 2]" 1
1385 1 71 GLU HA 1 71 GLU QG . . 3.190 2.559 2.390 3.044 . 0 0 "[ . 1 . 2]" 1
1386 1 71 GLU HA 1 74 ASN QB . . 3.670 2.611 2.226 2.941 . 0 0 "[ . 1 . 2]" 1
1387 1 71 GLU HA 1 74 ASN QD . . 5.120 4.004 2.976 5.159 0.039 14 0 "[ . 1 . 2]" 1
1388 1 72 GLU H 1 72 GLU QG . . 3.420 2.263 2.003 2.475 . 0 0 "[ . 1 . 2]" 1
1389 1 73 ALA H 1 102 VAL QG . . 3.840 2.611 2.402 3.153 . 0 0 "[ . 1 . 2]" 1
1390 1 73 ALA HA 1 102 VAL QG . . 3.060 2.192 1.916 2.486 . 0 0 "[ . 1 . 2]" 1
1391 1 73 ALA MB 1 102 VAL QG . . 3.340 2.174 1.799 2.652 . 0 0 "[ . 1 . 2]" 1
1392 1 74 ASN H 1 74 ASN QD . . 4.230 4.451 4.138 4.609 0.379 15 0 "[ . 1 . 2]" 1
1393 1 74 ASN QB 1 75 GLY H . . 3.560 2.504 2.307 2.658 . 0 0 "[ . 1 . 2]" 1
1394 1 74 ASN QD 1 75 GLY H . . 5.340 3.889 3.025 5.095 . 0 0 "[ . 1 . 2]" 1
1395 1 75 GLY QA 1 78 GLU H . . 4.880 3.445 3.316 3.643 . 0 0 "[ . 1 . 2]" 1
1396 1 75 GLY QA 1 78 GLU QB . . 3.670 2.348 2.142 2.645 . 0 0 "[ . 1 . 2]" 1
1397 1 76 GLU HA 1 79 LYS QB . . 3.970 3.069 2.442 4.382 0.412 12 0 "[ . 1 . 2]" 1
1398 1 76 GLU HA 1 79 LYS QD . . 4.940 3.591 2.167 5.466 0.526 4 1 "[ +. 1 . 2]" 1
1399 1 77 ILE H 1 77 ILE QG . . 3.680 1.792 1.744 1.887 . 0 0 "[ . 1 . 2]" 1
1400 1 79 LYS H 1 79 LYS QB . . 3.320 2.378 2.153 2.621 . 0 0 "[ . 1 . 2]" 1
1401 1 79 LYS H 1 79 LYS QG . . 4.590 2.970 2.096 4.028 . 0 0 "[ . 1 . 2]" 1
1402 1 79 LYS HA 1 79 LYS QD . . 5.140 4.070 2.116 4.628 . 0 0 "[ . 1 . 2]" 1
1403 1 79 LYS QB 1 79 LYS QD . . 3.230 2.321 2.147 2.495 . 0 0 "[ . 1 . 2]" 1
1404 1 79 LYS QB 1 79 LYS QE . . 4.330 2.831 1.855 3.962 . 0 0 "[ . 1 . 2]" 1
1405 1 80 PHE H 1 80 PHE QB . . 3.290 2.366 2.295 2.444 . 0 0 "[ . 1 . 2]" 1
1406 1 80 PHE QB 1 86 ILE MD . . 4.450 2.233 1.961 2.522 . 0 0 "[ . 1 . 2]" 1
1407 1 80 PHE QD 1 86 ILE QG . . 4.070 2.280 1.936 2.656 . 0 0 "[ . 1 . 2]" 1
1408 1 80 PHE QE 1 89 PHE QB . . 4.120 4.023 3.453 4.238 0.118 7 0 "[ . 1 . 2]" 1
1409 1 80 PHE QE 1 98 LEU QB . . 4.030 3.503 2.153 4.481 0.451 18 0 "[ . 1 . 2]" 1
1410 1 80 PHE HZ 1 89 PHE QB . . 5.090 5.418 4.513 5.709 0.619 7 10 "[* *. + ** *- * * *]" 1
1411 1 81 SER H 1 81 SER QB . . 3.510 2.461 2.241 2.529 . 0 0 "[ . 1 . 2]" 1
1412 1 81 SER H 1 82 ASN QB . . 5.190 4.764 4.643 5.063 . 0 0 "[ . 1 . 2]" 1
1413 1 81 SER QB 1 82 ASN H . . 4.270 3.463 2.892 3.691 . 0 0 "[ . 1 . 2]" 1
1414 1 82 ASN H 1 82 ASN QB . . 3.150 2.452 2.314 2.586 . 0 0 "[ . 1 . 2]" 1
1415 1 82 ASN QB 1 83 ARG H . . 4.390 3.494 3.297 3.684 . 0 0 "[ . 1 . 2]" 1
1416 1 82 ASN QB 1 85 ASN QD . . 3.930 3.644 2.019 4.302 0.372 19 0 "[ . 1 . 2]" 1
1417 1 85 ASN QB 1 86 ILE H . . 3.770 2.587 2.459 2.730 . 0 0 "[ . 1 . 2]" 1
1418 1 86 ILE H 1 86 ILE QG . . 3.600 2.095 2.010 2.194 . 0 0 "[ . 1 . 2]" 1
1419 1 86 ILE HA 1 86 ILE QG . . 3.720 2.544 2.461 2.608 . 0 0 "[ . 1 . 2]" 1
1420 1 86 ILE MG 1 90 LEU QB . . 5.010 2.540 2.329 2.907 . 0 0 "[ . 1 . 2]" 1
1421 1 87 CYS HA 1 90 LEU QD . . 3.860 3.032 2.766 3.222 . 0 0 "[ . 1 . 2]" 1
1422 1 87 CYS HA 1 150 GLN QE . . 4.700 3.346 2.302 5.097 0.397 8 0 "[ . 1 . 2]" 1
1423 1 88 ARG H 1 88 ARG QG . . 4.220 4.039 3.977 4.103 . 0 0 "[ . 1 . 2]" 1
1424 1 88 ARG H 1 88 ARG QD . . 5.320 4.410 4.100 4.821 . 0 0 "[ . 1 . 2]" 1
1425 1 88 ARG HA 1 88 ARG QG . . 3.740 2.968 2.506 3.171 . 0 0 "[ . 1 . 2]" 1
1426 1 88 ARG QG 1 89 PHE HA . . 4.510 3.643 3.227 3.957 . 0 0 "[ . 1 . 2]" 1
1427 1 88 ARG QG 1 89 PHE QB . . 4.370 3.986 3.510 4.379 0.009 18 0 "[ . 1 . 2]" 1
1428 1 89 PHE H 1 89 PHE QB . . 2.910 2.282 2.203 2.375 . 0 0 "[ . 1 . 2]" 1
1429 1 89 PHE QB 1 90 LEU H . . 3.970 3.626 3.537 3.694 . 0 0 "[ . 1 . 2]" 1
1430 1 89 PHE QD 1 90 LEU QD . . 3.660 3.962 3.578 4.119 0.459 7 0 "[ . 1 . 2]" 1
1431 1 90 LEU H 1 90 LEU QB . . 3.360 2.243 2.152 2.301 . 0 0 "[ . 1 . 2]" 1
1432 1 90 LEU H 1 90 LEU QD . . 4.900 3.698 3.527 3.777 . 0 0 "[ . 1 . 2]" 1
1433 1 90 LEU QB 1 91 THR H . . 3.680 2.604 2.398 2.927 . 0 0 "[ . 1 . 2]" 1
1434 1 90 LEU QD 1 146 ARG HA . . 5.060 2.310 1.870 2.782 . 0 0 "[ . 1 . 2]" 1
1435 1 90 LEU QD 1 149 PHE QB . . 3.900 2.159 1.980 2.267 . 0 0 "[ . 1 . 2]" 1
1436 1 97 ILE H 1 97 ILE QG . . 4.140 2.736 1.874 3.252 . 0 0 "[ . 1 . 2]" 1
1437 1 97 ILE HA 1 98 LEU QB . . 4.930 4.221 3.926 4.777 . 0 0 "[ . 1 . 2]" 1
1438 1 97 ILE QG 1 100 LYS HA . . 4.140 3.748 3.153 4.778 0.638 19 1 "[ . 1 . +2]" 1
1439 1 98 LEU H 1 98 LEU QB . . 3.580 2.236 2.044 2.654 . 0 0 "[ . 1 . 2]" 1
1440 1 98 LEU QB 1 99 PHE H . . 3.890 2.626 2.225 2.891 . 0 0 "[ . 1 . 2]" 1
1441 1 98 LEU QB 1 99 PHE QD . . 3.850 2.075 1.800 2.490 . 0 0 "[ . 1 . 2]" 1
1442 1 99 PHE H 1 100 LYS QB . . 5.200 4.364 4.042 4.650 . 0 0 "[ . 1 . 2]" 1
1443 1 99 PHE QB 1 102 VAL H . . 4.930 4.127 3.645 4.411 . 0 0 "[ . 1 . 2]" 1
1444 1 99 PHE QB 1 102 VAL QG . . 3.560 3.227 2.743 3.547 . 0 0 "[ . 1 . 2]" 1
1445 1 99 PHE QD 1 102 VAL QG . . 3.640 2.759 1.772 3.582 . 0 0 "[ . 1 . 2]" 1
1446 1 100 LYS H 1 100 LYS QB . . 3.070 2.287 2.163 2.647 . 0 0 "[ . 1 . 2]" 1
1447 1 100 LYS H 1 100 LYS QG . . 3.920 3.747 2.092 4.075 0.155 19 0 "[ . 1 . 2]" 1
1448 1 100 LYS H 1 101 ASP QB . . 5.150 4.928 4.565 5.329 0.179 17 0 "[ . 1 . 2]" 1
1449 1 100 LYS HA 1 100 LYS QG . . 3.720 2.652 2.416 3.538 . 0 0 "[ . 1 . 2]" 1
1450 1 100 LYS QG 1 101 ASP H . . 4.380 3.484 1.794 4.228 . 0 0 "[ . 1 . 2]" 1
1451 1 101 ASP H 1 101 ASP QB . . 3.090 2.339 2.208 2.508 . 0 0 "[ . 1 . 2]" 1
1452 1 101 ASP H 1 102 VAL QG . . 5.440 3.894 3.622 4.178 . 0 0 "[ . 1 . 2]" 1
1453 1 101 ASP HA 1 104 ARG QB . . 3.800 2.613 2.097 3.142 . 0 0 "[ . 1 . 2]" 1
1454 1 101 ASP QB 1 102 VAL H . . 3.420 2.481 2.161 2.711 . 0 0 "[ . 1 . 2]" 1
1455 1 102 VAL H 1 102 VAL QG . . 3.120 2.027 1.955 2.109 . 0 0 "[ . 1 . 2]" 1
1456 1 102 VAL HA 1 105 LYS QG . . 4.640 3.370 2.412 4.102 . 0 0 "[ . 1 . 2]" 1
1457 1 102 VAL QG 1 106 LEU QB . . 4.940 4.242 3.884 4.652 . 0 0 "[ . 1 . 2]" 1
1458 1 102 VAL QG 1 106 LEU QD . . 3.260 2.224 1.940 2.649 . 0 0 "[ . 1 . 2]" 1
1459 1 103 ASN H 1 103 ASN QB . . 3.260 2.251 2.184 2.352 . 0 0 "[ . 1 . 2]" 1
1460 1 103 ASN QB 1 104 ARG H . . 3.710 2.864 2.637 3.043 . 0 0 "[ . 1 . 2]" 1
1461 1 103 ASN QD 1 104 ARG QB . . 5.180 5.178 4.375 5.804 0.624 1 2 "[+ . - . 2]" 1
1462 1 103 ASN QD 1 107 SER QB . . 4.640 4.457 3.190 5.269 0.629 4 3 "[ +. 1* . - 2]" 1
1463 1 104 ARG H 1 104 ARG QB . . 2.840 2.264 2.197 2.307 . 0 0 "[ . 1 . 2]" 1
1464 1 104 ARG H 1 104 ARG QD . . 4.550 4.442 3.917 4.801 0.251 2 0 "[ . 1 . 2]" 1
1465 1 104 ARG HA 1 104 ARG QD . . 4.030 3.303 1.961 4.133 0.103 20 0 "[ . 1 . 2]" 1
1466 1 104 ARG QB 1 104 ARG QD . . 3.260 2.425 2.177 2.818 . 0 0 "[ . 1 . 2]" 1
1467 1 104 ARG QD 1 105 LYS H . . 4.340 3.960 2.697 4.740 0.400 11 0 "[ . 1 . 2]" 1
1468 1 105 LYS H 1 105 LYS QG . . 4.110 2.584 2.025 3.795 . 0 0 "[ . 1 . 2]" 1
1469 1 105 LYS HA 1 105 LYS QG . . 3.590 2.490 2.398 2.611 . 0 0 "[ . 1 . 2]" 1
1470 1 105 LYS HA 1 108 ASP QB . . 3.330 2.741 2.214 3.367 0.037 19 0 "[ . 1 . 2]" 1
1471 1 105 LYS QB 1 105 LYS QD . . 2.960 2.265 2.133 2.446 . 0 0 "[ . 1 . 2]" 1
1472 1 105 LYS QB 1 105 LYS QE . . 4.150 3.313 2.041 3.919 . 0 0 "[ . 1 . 2]" 1
1473 1 105 LYS QB 1 106 LEU H . . 3.030 2.561 2.235 2.833 . 0 0 "[ . 1 . 2]" 1
1474 1 105 LYS QG 1 106 LEU H . . 5.070 4.206 3.879 4.703 . 0 0 "[ . 1 . 2]" 1
1475 1 106 LEU H 1 106 LEU QB . . 3.200 2.373 2.272 2.472 . 0 0 "[ . 1 . 2]" 1
1476 1 106 LEU H 1 106 LEU QD . . 3.630 2.391 2.087 3.363 . 0 0 "[ . 1 . 2]" 1
1477 1 106 LEU QB 1 108 ASP H . . 5.270 4.848 4.551 5.097 . 0 0 "[ . 1 . 2]" 1
1478 1 106 LEU QD 1 107 SER H . . 4.270 4.028 3.896 4.327 0.057 19 0 "[ . 1 . 2]" 1
1479 1 106 LEU QD 1 109 VAL HB . . 4.580 4.805 3.839 5.122 0.542 2 5 "[*+ *. -1 .* 2]" 1
1480 1 107 SER H 1 107 SER QB . . 3.200 2.320 2.246 2.570 . 0 0 "[ . 1 . 2]" 1
1481 1 107 SER H 1 108 ASP QB . . 4.720 4.415 4.232 4.638 . 0 0 "[ . 1 . 2]" 1
1482 1 107 SER QB 1 108 ASP H . . 3.570 2.534 2.296 2.823 . 0 0 "[ . 1 . 2]" 1
1483 1 107 SER QB 1 134 TRP HZ3 . . 4.400 3.312 2.339 4.492 0.092 11 0 "[ . 1 . 2]" 1
1484 1 108 ASP H 1 108 ASP QB . . 2.890 2.283 2.228 2.414 . 0 0 "[ . 1 . 2]" 1
1485 1 108 ASP QB 1 109 VAL H . . 3.430 2.425 2.174 2.881 . 0 0 "[ . 1 . 2]" 1
1486 1 108 ASP QB 1 109 VAL HA . . 4.480 4.141 3.790 4.298 . 0 0 "[ . 1 . 2]" 1
1487 1 108 ASP QB 1 109 VAL QG . . 4.690 3.012 2.748 3.424 . 0 0 "[ . 1 . 2]" 1
1488 1 109 VAL H 1 109 VAL QG . . 3.050 2.149 2.002 2.466 . 0 0 "[ . 1 . 2]" 1
1489 1 109 VAL HA 1 113 LEU QB . . 4.350 4.326 3.905 4.951 0.601 2 1 "[ + . 1 . 2]" 1
1490 1 109 VAL QG 1 110 TRP H . . 3.600 3.356 3.135 3.563 . 0 0 "[ . 1 . 2]" 1
1491 1 109 VAL QG 1 113 LEU HA . . 5.200 4.552 4.347 4.802 . 0 0 "[ . 1 . 2]" 1
1492 1 109 VAL QG 1 113 LEU QB . . 3.790 2.881 2.499 3.697 . 0 0 "[ . 1 . 2]" 1
1493 1 110 TRP QB 1 111 LYS H . . 3.500 2.775 2.631 2.992 . 0 0 "[ . 1 . 2]" 1
1494 1 110 TRP HE1 1 114 SER QB . . 4.750 4.213 3.663 4.786 0.036 20 0 "[ . 1 . 2]" 1
1495 1 110 TRP HZ2 1 125 VAL QG . . 3.770 2.924 1.955 4.267 0.497 15 0 "[ . 1 . 2]" 1
1496 1 111 LYS H 1 111 LYS QB . . 2.920 2.480 2.329 2.845 . 0 0 "[ . 1 . 2]" 1
1497 1 111 LYS H 1 111 LYS QG . . 3.470 2.380 1.991 2.796 . 0 0 "[ . 1 . 2]" 1
1498 1 111 LYS HA 1 111 LYS QG . . 3.700 2.782 2.417 3.399 . 0 0 "[ . 1 . 2]" 1
1499 1 111 LYS HA 1 114 SER QB . . 4.780 3.558 2.566 4.526 . 0 0 "[ . 1 . 2]" 1
1500 1 111 LYS HA 1 115 LEU QD . . 4.520 4.059 3.751 4.540 0.020 9 0 "[ . 1 . 2]" 1
1501 1 111 LYS QB 1 111 LYS QE . . 3.450 2.396 1.956 3.703 0.253 4 0 "[ . 1 . 2]" 1
1502 1 111 LYS QB 1 112 GLU H . . 3.480 2.690 2.147 3.572 0.092 12 0 "[ . 1 . 2]" 1
1503 1 111 LYS QG 1 112 GLU H . . 4.450 3.410 2.008 4.162 . 0 0 "[ . 1 . 2]" 1
1504 1 111 LYS QE 1 112 GLU QG . . 4.130 4.020 2.582 4.669 0.539 2 1 "[ + . 1 . 2]" 1
1505 1 112 GLU H 1 112 GLU QG . . 3.500 2.158 1.921 2.463 . 0 0 "[ . 1 . 2]" 1
1506 1 112 GLU HA 1 112 GLU QG . . 2.890 2.601 2.370 3.186 0.296 2 0 "[ . 1 . 2]" 1
1507 1 112 GLU QB 1 116 LEU QD . . 4.080 3.115 2.583 3.453 . 0 0 "[ . 1 . 2]" 1
1508 1 112 GLU QG 1 113 LEU H . . 5.150 4.026 3.735 4.276 . 0 0 "[ . 1 . 2]" 1
1509 1 113 LEU H 1 113 LEU QB . . 3.230 2.168 2.064 2.241 . 0 0 "[ . 1 . 2]" 1
1510 1 113 LEU HA 1 116 LEU QB . . 4.130 4.492 4.146 4.734 0.604 7 4 "[ . + *1 * - 2]" 1
1511 1 113 LEU HA 1 116 LEU QD . . 3.470 2.322 2.027 2.520 . 0 0 "[ . 1 . 2]" 1
1512 1 113 LEU QB 1 114 SER H . . 3.580 2.303 2.060 2.533 . 0 0 "[ . 1 . 2]" 1
1513 1 113 LEU QB 1 117 LEU QD . . 4.210 3.456 2.403 4.092 . 0 0 "[ . 1 . 2]" 1
1514 1 113 LEU HG 1 117 LEU QD . . 4.140 2.869 1.924 3.604 . 0 0 "[ . 1 . 2]" 1
1515 1 114 SER H 1 114 SER QB . . 3.230 2.357 2.180 2.545 . 0 0 "[ . 1 . 2]" 1
1516 1 114 SER H 1 115 LEU QD . . 5.280 4.947 4.766 5.178 . 0 0 "[ . 1 . 2]" 1
1517 1 114 SER HA 1 117 LEU QB . . 4.160 2.479 2.143 2.799 . 0 0 "[ . 1 . 2]" 1
1518 1 114 SER HA 1 117 LEU QD . . 4.020 2.359 1.981 3.025 . 0 0 "[ . 1 . 2]" 1
1519 1 115 LEU H 1 115 LEU QD . . 3.840 3.191 3.101 3.354 . 0 0 "[ . 1 . 2]" 1
1520 1 115 LEU H 1 116 LEU QD . . 5.440 4.651 4.484 4.806 . 0 0 "[ . 1 . 2]" 1
1521 1 115 LEU H 1 117 LEU QB . . 5.190 4.770 4.319 4.981 . 0 0 "[ . 1 . 2]" 1
1522 1 115 LEU QD 1 116 LEU H . . 3.880 4.034 2.585 4.334 0.454 3 0 "[ . 1 . 2]" 1
1523 1 116 LEU H 1 116 LEU QB . . 3.500 2.707 2.522 2.850 . 0 0 "[ . 1 . 2]" 1
1524 1 116 LEU H 1 116 LEU QD . . 4.110 3.040 2.884 3.196 . 0 0 "[ . 1 . 2]" 1
1525 1 116 LEU QB 1 117 LEU H . . 4.400 3.687 3.546 3.771 . 0 0 "[ . 1 . 2]" 1
1526 1 116 LEU QD 1 117 LEU H . . 3.590 2.466 2.174 2.727 . 0 0 "[ . 1 . 2]" 1
1527 1 116 LEU QD 1 117 LEU HA . . 4.340 3.039 2.741 3.467 . 0 0 "[ . 1 . 2]" 1
1528 1 117 LEU H 1 117 LEU QB . . 3.240 2.407 2.151 2.550 . 0 0 "[ . 1 . 2]" 1
1529 1 117 LEU H 1 117 LEU QD . . 3.740 3.179 2.730 3.317 . 0 0 "[ . 1 . 2]" 1
1530 1 117 LEU HA 1 117 LEU QD . . 4.130 2.048 1.977 2.117 . 0 0 "[ . 1 . 2]" 1
1531 1 117 LEU HA 1 121 GLN QG . . 4.420 3.245 2.454 4.775 0.355 7 0 "[ . 1 . 2]" 1
1532 1 117 LEU QB 1 118 GLN H . . 3.900 2.581 2.375 2.857 . 0 0 "[ . 1 . 2]" 1
1533 1 117 LEU QB 1 123 MET QG . . 4.710 3.593 1.997 4.025 . 0 0 "[ . 1 . 2]" 1
1534 1 117 LEU QD 1 118 GLN QG . . 5.280 5.046 4.144 6.006 0.726 15 2 "[ . - 1 + 2]" 1
1535 1 117 LEU QD 1 121 GLN H . . 5.440 4.164 3.679 4.607 . 0 0 "[ . 1 . 2]" 1
1536 1 117 LEU QD 1 121 GLN QE . . 4.520 3.606 2.071 4.676 0.156 7 0 "[ . 1 . 2]" 1
1537 1 118 GLN H 1 118 GLN QG . . 3.790 2.514 2.103 4.013 0.223 15 0 "[ . 1 . 2]" 1
1538 1 118 GLN H 1 118 GLN QE . . 4.820 4.168 2.584 5.171 0.351 11 0 "[ . 1 . 2]" 1
1539 1 118 GLN HA 1 118 GLN QG . . 3.330 2.998 2.396 3.407 0.077 19 0 "[ . 1 . 2]" 1
1540 1 118 GLN QG 1 119 VAL H . . 4.230 3.467 2.473 4.355 0.125 3 0 "[ . 1 . 2]" 1
1541 1 118 GLN QE 1 124 PRO HA . . 4.510 3.750 1.981 4.890 0.380 20 0 "[ . 1 . 2]" 1
1542 1 119 VAL H 1 119 VAL QG . . 3.220 2.321 2.073 2.456 . 0 0 "[ . 1 . 2]" 1
1543 1 119 VAL HA 1 119 VAL QG . . 2.870 2.188 2.177 2.199 . 0 0 "[ . 1 . 2]" 1
1544 1 119 VAL QG 1 120 GLU HA . . 4.130 3.230 2.811 3.540 . 0 0 "[ . 1 . 2]" 1
1545 1 119 VAL QG 1 120 GLU QG . . 3.860 3.175 2.041 4.417 0.557 7 2 "[ . + - . 2]" 1
1546 1 120 GLU H 1 120 GLU QB . . 3.020 2.456 2.242 2.612 . 0 0 "[ . 1 . 2]" 1
1547 1 120 GLU H 1 120 GLU QG . . 3.660 2.802 2.158 4.081 0.421 10 0 "[ . 1 . 2]" 1
1548 1 120 GLU HA 1 120 GLU QG . . 3.500 2.727 2.380 3.184 . 0 0 "[ . 1 . 2]" 1
1549 1 120 GLU QB 1 121 GLN H . . 3.470 2.310 2.202 2.583 . 0 0 "[ . 1 . 2]" 1
1550 1 120 GLU QB 1 121 GLN HA . . 4.550 3.932 3.701 4.349 . 0 0 "[ . 1 . 2]" 1
1551 1 121 GLN H 1 121 GLN QB . . 3.650 2.409 2.141 2.565 . 0 0 "[ . 1 . 2]" 1
1552 1 121 GLN H 1 121 GLN QG . . 4.500 2.834 2.136 4.098 . 0 0 "[ . 1 . 2]" 1
1553 1 121 GLN HA 1 121 GLN QG . . 3.680 2.790 2.400 3.164 . 0 0 "[ . 1 . 2]" 1
1554 1 121 GLN HA 1 121 GLN QE . . 4.300 4.004 2.465 4.879 0.579 2 2 "[ + . 1 . - 2]" 1
1555 1 123 MET H 1 123 MET QB . . 3.040 2.373 2.220 2.722 . 0 0 "[ . 1 . 2]" 1
1556 1 123 MET H 1 124 PRO QD . . 4.690 4.322 4.143 4.531 . 0 0 "[ . 1 . 2]" 1
1557 1 123 MET QB 1 123 MET ME . . 2.940 2.017 1.895 2.133 . 0 0 "[ . 1 . 2]" 1
1558 1 123 MET QB 1 124 PRO QD . . 3.730 3.216 2.346 3.694 . 0 0 "[ . 1 . 2]" 1
1559 1 123 MET QG 1 124 PRO QD . . 3.570 3.191 2.370 3.807 0.237 17 0 "[ . 1 . 2]" 1
1560 1 123 MET ME 1 124 PRO QD . . 3.960 4.396 3.446 4.678 0.718 1 12 "[+* ******* * -*]" 1
1561 1 124 PRO HA 1 125 VAL QG . . 4.570 4.128 3.543 4.573 0.003 5 0 "[ . 1 . 2]" 1
1562 1 124 PRO QB 1 125 VAL H . . 3.450 3.891 2.215 4.068 0.618 12 13 "[* * .** -* +**** * *]" 1
1563 1 125 VAL HA 1 125 VAL QG . . 2.920 2.237 2.170 2.347 . 0 0 "[ . 1 . 2]" 1
1564 1 125 VAL HA 1 127 PRO QD . . 3.680 3.198 2.681 3.531 . 0 0 "[ . 1 . 2]" 1
1565 1 125 VAL QG 1 126 SER QB . . 4.540 4.335 3.846 5.090 0.550 11 2 "[ . 1+ . - 2]" 1
1566 1 126 SER HA 1 127 PRO QD . . 3.510 2.573 2.089 3.728 0.218 19 0 "[ . 1 . 2]" 1
1567 1 128 ILE QG 1 134 TRP HD1 . . 4.830 4.588 3.536 5.378 0.548 13 3 "[ . - + . *]" 1
1568 1 128 ILE QG 1 134 TRP HZ2 . . 4.830 4.560 3.510 5.409 0.579 12 2 "[ . 1 + . - 2]" 1
1569 1 130 GLN QE 1 131 GLY QA . . 4.830 4.601 3.576 5.606 0.776 7 5 "[ *-. +* 1 . *]" 1
1570 1 131 GLY QA 1 134 TRP HE1 . . 5.250 5.241 3.959 6.055 0.805 15 6 "[ -*. *1 * *+ 2]" 1
1571 1 134 TRP HA 1 137 GLU QB . . 4.690 2.708 1.914 3.880 . 0 0 "[ . 1 . 2]" 1
1572 1 135 ALA HA 1 138 ASP QB . . 3.350 3.573 2.394 3.857 0.507 11 2 "[ . 1+ .- 2]" 1
1573 1 135 ALA MB 1 138 ASP QB . . 4.390 4.738 3.545 4.986 0.596 11 6 "[ * - **+ . *]" 1
1574 1 136 GLN H 1 136 GLN QB . . 3.020 2.470 2.248 2.637 . 0 0 "[ . 1 . 2]" 1
1575 1 136 GLN HA 1 136 GLN QE . . 4.980 4.393 1.732 4.986 0.006 12 0 "[ . 1 . 2]" 1
1576 1 136 GLN QB 1 137 GLU H . . 3.010 2.638 2.200 3.049 0.039 16 0 "[ . 1 . 2]" 1
1577 1 137 GLU H 1 137 GLU QB . . 3.200 2.434 2.210 2.631 . 0 0 "[ . 1 . 2]" 1
1578 1 137 GLU H 1 137 GLU QG . . 3.360 2.407 2.068 3.942 0.582 1 1 "[+ . 1 . 2]" 1
1579 1 137 GLU HA 1 137 GLU QG . . 3.550 2.690 2.392 3.388 . 0 0 "[ . 1 . 2]" 1
1580 1 137 GLU QB 1 138 ASP H . . 3.670 2.448 2.078 3.473 . 0 0 "[ . 1 . 2]" 1
1581 1 138 ASP H 1 138 ASP QB . . 3.520 2.326 2.095 2.542 . 0 0 "[ . 1 . 2]" 1
1582 1 138 ASP QB 1 139 GLN H . . 3.690 2.686 2.044 2.928 . 0 0 "[ . 1 . 2]" 1
1583 1 138 ASP QB 1 139 GLN HA . . 4.260 3.911 3.753 4.009 . 0 0 "[ . 1 . 2]" 1
1584 1 139 GLN HA 1 139 GLN QG . . 3.260 3.008 2.463 3.462 0.202 14 0 "[ . 1 . 2]" 1
1585 1 139 GLN HA 1 139 GLN QE . . 4.080 4.052 2.538 4.329 0.249 15 0 "[ . 1 . 2]" 1
1586 1 139 GLN QG 1 141 ASP H . . 4.520 4.879 4.271 5.299 0.779 5 11 "[* * +* *** - * **]" 1
1587 1 141 ASP H 1 141 ASP QB . . 3.550 2.296 2.063 2.625 . 0 0 "[ . 1 . 2]" 1
1588 1 141 ASP QB 1 142 ALA H . . 3.750 2.589 2.056 3.673 . 0 0 "[ . 1 . 2]" 1
1589 1 142 ALA HA 1 145 ASP QB . . 4.370 2.474 2.067 3.620 . 0 0 "[ . 1 . 2]" 1
1590 1 142 ALA MB 1 143 ASP QB . . 5.340 4.119 3.533 4.652 . 0 0 "[ . 1 . 2]" 1
1591 1 143 ASP H 1 143 ASP QB . . 3.360 2.279 2.214 2.383 . 0 0 "[ . 1 . 2]" 1
1592 1 143 ASP QB 1 144 GLU H . . 2.980 2.379 2.139 2.760 . 0 0 "[ . 1 . 2]" 1
1593 1 143 ASP QB 1 144 GLU QG . . 4.370 3.464 2.873 5.030 0.660 8 2 "[ . -+ 1 . 2]" 1
1594 1 144 GLU H 1 144 GLU QG . . 3.680 2.502 2.017 3.971 0.291 7 0 "[ . 1 . 2]" 1
1595 1 144 GLU HA 1 144 GLU QG . . 3.570 2.603 2.341 3.093 . 0 0 "[ . 1 . 2]" 1
1596 1 144 GLU QB 1 145 ASP H . . 3.490 2.686 2.360 3.106 . 0 0 "[ . 1 . 2]" 1
1597 1 145 ASP H 1 145 ASP QB . . 3.110 2.277 2.179 2.469 . 0 0 "[ . 1 . 2]" 1
1598 1 145 ASP QB 1 146 ARG H . . 3.620 2.514 2.311 2.777 . 0 0 "[ . 1 . 2]" 1
1599 1 145 ASP QB 1 148 ALA MB . . 4.760 4.187 3.810 4.518 . 0 0 "[ . 1 . 2]" 1
1600 1 147 ARG H 1 147 ARG QG . . 4.100 3.542 2.111 4.067 . 0 0 "[ . 1 . 2]" 1
1601 1 147 ARG HA 1 147 ARG QG . . 3.650 2.629 2.425 3.240 . 0 0 "[ . 1 . 2]" 1
1602 1 148 ALA MB 1 152 LEU QD . . 3.250 3.573 3.007 3.821 0.571 4 3 "[ +. - 1 . * 2]" 1
1603 1 149 PHE HA 1 152 LEU QB . . 4.740 3.563 2.753 5.228 0.488 13 0 "[ . 1 . 2]" 1
1604 1 149 PHE QB 1 150 GLN QE . . 4.580 2.475 1.718 4.717 0.137 7 0 "[ . 1 . 2]" 1
1605 1 149 PHE QD 1 150 GLN QG . . 4.730 4.478 3.899 5.004 0.274 8 0 "[ . 1 . 2]" 1
1606 1 150 GLN H 1 150 GLN QG . . 3.590 2.563 2.115 3.687 0.097 13 0 "[ . 1 . 2]" 1
1607 1 150 GLN H 1 150 GLN QE . . 4.340 3.263 2.648 4.814 0.474 7 0 "[ . 1 . 2]" 1
1608 1 150 GLN HA 1 150 GLN QG . . 3.630 2.903 2.384 3.136 . 0 0 "[ . 1 . 2]" 1
1609 1 150 GLN HA 1 150 GLN QE . . 3.810 2.714 2.448 3.632 . 0 0 "[ . 1 . 2]" 1
1610 1 150 GLN QG 1 151 MET H . . 4.580 4.197 3.716 4.877 0.297 13 0 "[ . 1 . 2]" 1
1611 1 151 MET QB 1 151 MET ME . . 3.120 2.280 1.951 3.602 0.482 14 0 "[ . 1 . 2]" 1
1612 1 152 LEU H 1 152 LEU QB . . 3.560 2.527 2.188 3.334 . 0 0 "[ . 1 . 2]" 1
1613 1 152 LEU H 1 152 LEU QD . . 4.020 3.698 2.769 3.891 . 0 0 "[ . 1 . 2]" 1
1614 1 152 LEU HA 1 152 LEU QD . . 3.900 2.203 2.034 2.963 . 0 0 "[ . 1 . 2]" 1
1615 1 152 LEU QB 1 153 ARG H . . 3.560 3.675 1.995 4.046 0.486 16 0 "[ . 1 . 2]" 1
1616 1 152 LEU QD 1 153 ARG H . . 4.530 3.096 1.916 3.977 . 0 0 "[ . 1 . 2]" 1
1617 1 152 LEU QD 1 154 ARG H . . 5.320 3.413 2.437 4.940 . 0 0 "[ . 1 . 2]" 1
1618 1 152 LEU QD 1 156 ASN HA . . 4.200 3.274 1.771 4.750 0.550 1 2 "[+ . 1 . - 2]" 1
1619 1 152 LEU QD 1 156 ASN QB . . 4.280 3.224 1.791 4.545 0.265 18 0 "[ . 1 . 2]" 1
1620 1 153 ARG H 1 154 ARG QB . . 3.370 3.647 3.106 4.029 0.659 20 4 "[ .* 1 * . - +]" 1
1621 1 153 ARG QB 1 153 ARG QD . . 3.310 2.363 2.118 2.858 . 0 0 "[ . 1 . 2]" 1
1622 1 154 ARG QB 1 154 ARG QG . . 2.390 2.061 1.998 2.119 . 0 0 "[ . 1 . 2]" 1
1623 1 154 ARG QB 1 154 ARG QD . . 2.980 2.327 2.179 2.811 . 0 0 "[ . 1 . 2]" 1
1624 1 155 ASP H 1 155 ASP QB . . 3.530 2.742 2.302 3.379 . 0 0 "[ . 1 . 2]" 1
1625 1 156 ASN H 1 156 ASN QB . . 3.540 2.923 2.304 3.408 . 0 0 "[ . 1 . 2]" 1
1626 1 156 ASN QB 1 157 GLU H . . 4.040 3.310 1.866 4.060 0.020 17 0 "[ . 1 . 2]" 1
1627 1 156 ASN QB 1 157 GLU QB . . 4.750 4.691 3.570 5.444 0.694 20 2 "[ .- 1 . +]" 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 11
_Distance_constraint_stats_list.Viol_count 78
_Distance_constraint_stats_list.Viol_total 1524.320
_Distance_constraint_stats_list.Viol_max 2.892
_Distance_constraint_stats_list.Viol_rms 0.6459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3464
_Distance_constraint_stats_list.Viol_average_violations_only 0.9771
_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 9 ILE 0.740 0.740 12 1 "[ . 1 + . 2]"
1 13 GLN 0.740 0.740 12 1 "[ . 1 + . 2]"
1 32 LEU 0.217 0.119 7 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 8.801 0.868 5 9 "[ **+-* 1 ** . * *2]"
1 54 VAL 8.801 0.868 5 9 "[ **+-* 1 ** . * *2]"
1 70 LEU 20.394 1.412 10 19 "[*** ****-+**********]"
1 72 GLU 20.394 1.412 10 19 "[*** ****-+**********]"
1 77 ILE 0.217 0.119 7 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ALA 39.508 2.892 15 20 [**********-***+*****]
1 134 TRP 46.064 2.892 15 20 [*******-******+*****]
1 135 ALA 6.556 0.909 15 3 "[ * . - 1 + 2]"
1 146 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLN 0.000 0.000 . 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 1 134 TRP HD1 1 135 ALA H . . 4.890 5.214 4.819 5.799 0.909 15 3 "[ * . - 1 + 2]" 2
2 1 41 LYS QB 1 42 PRO HD3 . . 3.440 2.145 1.800 2.693 . 0 0 "[ . 1 . 2]" 2
3 1 32 LEU MD2 1 77 ILE HG13 . . 6.350 4.998 4.424 6.469 0.119 7 0 "[ . 1 . 2]" 2
4 1 132 ALA MB 1 134 TRP HD1 . . 4.900 6.875 5.539 7.792 2.892 15 20 [**********-***+*****] 2
5 1 9 ILE MD 1 13 GLN QE . . 5.340 4.596 3.774 6.080 0.740 12 1 "[ . 1 + . 2]" 2
6 1 9 ILE MD 1 44 GLU QG . . 3.510 2.333 1.797 3.503 . 0 0 "[ . 1 . 2]" 2
7 1 41 LYS QB 1 42 PRO QD . . 2.920 2.073 1.793 2.473 . 0 0 "[ . 1 . 2]" 2
8 1 53 SER QB 1 54 VAL HB . . 4.400 4.795 3.782 5.268 0.868 5 9 "[ **+-* 1 ** . * *2]" 2
9 1 70 LEU H 1 72 GLU QG . . 4.230 5.250 4.621 5.642 1.412 10 19 "[*** ****-+**********]" 2
10 1 90 LEU QD 1 146 ARG QG . . 5.230 2.548 1.745 3.852 . 0 0 "[ . 1 . 2]" 2
11 1 90 LEU QD 1 150 GLN QE . . 5.270 2.211 1.634 3.694 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 178
_Distance_constraint_stats_list.Viol_count 3560
_Distance_constraint_stats_list.Viol_total 25085.957
_Distance_constraint_stats_list.Viol_max 3.000
_Distance_constraint_stats_list.Viol_rms 0.3549
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3523
_Distance_constraint_stats_list.Viol_average_violations_only 0.3523
_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 3 GLU 11.892 0.429 6 0 "[ . 1 . 2]"
1 4 ASN 11.171 0.454 1 0 "[ . 1 . 2]"
1 5 LEU 12.602 0.449 9 0 "[ . 1 . 2]"
1 6 LYS 11.305 0.421 9 0 "[ . 1 . 2]"
1 7 HIS 19.597 0.429 6 0 "[ . 1 . 2]"
1 8 ILE 23.201 0.454 1 0 "[ . 1 . 2]"
1 9 ILE 25.914 0.449 9 0 "[ . 1 . 2]"
1 10 THR 21.278 0.421 9 0 "[ . 1 . 2]"
1 11 LEU 12.505 0.320 18 0 "[ . 1 . 2]"
1 12 GLY 26.152 0.455 5 0 "[ . 1 . 2]"
1 13 GLN 27.327 0.489 15 0 "[ . 1 . 2]"
1 14 VAL 19.593 0.402 3 0 "[ . 1 . 2]"
1 15 ILE 13.384 0.341 19 0 "[ . 1 . 2]"
1 16 HIS 66.447 2.166 15 20 [***-**********+*****]
1 17 LYS 14.015 0.489 15 0 "[ . 1 . 2]"
1 18 ARG 9.621 0.395 6 0 "[ . 1 . 2]"
1 19 CYS 8.584 0.341 19 0 "[ . 1 . 2]"
1 20 GLU 52.325 2.166 15 20 [***-**********+*****]
1 26 LYS 12.751 0.455 19 0 "[ . 1 . 2]"
1 27 LYS 22.141 0.438 14 0 "[ . 1 . 2]"
1 28 GLN 47.354 0.415 5 0 "[ . 1 . 2]"
1 29 CYS 11.068 0.367 7 0 "[ . 1 . 2]"
1 30 ARG 22.779 0.455 19 0 "[ . 1 . 2]"
1 31 ARG 19.597 0.438 5 0 "[ . 1 . 2]"
1 32 LEU 19.015 0.406 20 0 "[ . 1 . 2]"
1 33 GLY 23.610 0.413 10 0 "[ . 1 . 2]"
1 34 HIS 23.330 0.467 8 0 "[ . 1 . 2]"
1 35 ARG 200.516 3.000 9 20 [********+********-**]
1 36 VAL 15.968 0.391 7 0 "[ . 1 . 2]"
1 37 LEU 26.076 0.446 17 0 "[ . 1 . 2]"
1 38 GLY 13.302 0.467 8 0 "[ . 1 . 2]"
1 39 LEU 70.584 1.848 13 20 [******-*****+*******]
1 40 ILE 13.054 0.348 4 0 "[ . 1 . 2]"
1 41 LYS 27.335 0.530 9 2 "[ -. +1 . 2]"
1 43 LEU 71.381 1.848 13 20 [******-*****+*******]
1 44 GLU 17.086 0.393 4 0 "[ . 1 . 2]"
1 45 MET 13.802 0.530 9 2 "[ -. +1 . 2]"
1 47 GLN 10.617 0.396 13 0 "[ . 1 . 2]"
1 48 ASP 11.093 0.393 4 0 "[ . 1 . 2]"
1 56 SER 9.144 0.407 11 0 "[ . 1 . 2]"
1 57 GLU 11.569 0.397 1 0 "[ . 1 . 2]"
1 58 LYS 10.911 0.411 13 0 "[ . 1 . 2]"
1 59 LEU 10.583 0.392 3 0 "[ . 1 . 2]"
1 60 THR 18.450 0.407 11 0 "[ . 1 . 2]"
1 61 THR 21.813 0.451 19 0 "[ . 1 . 2]"
1 62 ALA 21.731 0.411 13 0 "[ . 1 . 2]"
1 63 MET 10.583 0.392 3 0 "[ . 1 . 2]"
1 64 ASN 20.363 0.346 10 0 "[ . 1 . 2]"
1 65 ARG 21.831 0.451 19 0 "[ . 1 . 2]"
1 66 PHE 22.171 0.379 19 0 "[ . 1 . 2]"
1 67 LYS 8.915 0.331 9 0 "[ . 1 . 2]"
1 68 ALA 24.964 0.412 12 0 "[ . 1 . 2]"
1 69 ALA 24.951 0.434 18 0 "[ . 1 . 2]"
1 70 LEU 22.056 0.394 17 0 "[ . 1 . 2]"
1 71 GLU 21.517 0.459 11 0 "[ . 1 . 2]"
1 72 GLU 13.907 0.412 12 0 "[ . 1 . 2]"
1 73 ALA 29.124 0.462 15 0 "[ . 1 . 2]"
1 74 ASN 24.261 0.455 16 0 "[ . 1 . 2]"
1 75 GLY 27.285 0.459 11 0 "[ . 1 . 2]"
1 76 GLU 6.380 0.304 11 0 "[ . 1 . 2]"
1 77 ILE 15.760 0.462 15 0 "[ . 1 . 2]"
1 78 GLU 13.555 0.455 16 0 "[ . 1 . 2]"
1 79 LYS 14.683 0.448 12 0 "[ . 1 . 2]"
1 80 PHE 6.380 0.304 11 0 "[ . 1 . 2]"
1 84 SER 11.913 0.379 19 0 "[ . 1 . 2]"
1 85 ASN 17.130 0.509 17 1 "[ . 1 . + 2]"
1 86 ILE 6.128 0.290 3 0 "[ . 1 . 2]"
1 87 CYS 14.215 0.465 2 0 "[ . 1 . 2]"
1 88 ARG 11.913 0.379 19 0 "[ . 1 . 2]"
1 89 PHE 17.130 0.509 17 1 "[ . 1 . + 2]"
1 90 LEU 6.128 0.290 3 0 "[ . 1 . 2]"
1 91 THR 14.215 0.465 2 0 "[ . 1 . 2]"
1 98 LEU 11.760 0.415 5 0 "[ . 1 . 2]"
1 100 LYS 13.051 0.454 1 0 "[ . 1 . 2]"
1 101 ASP 13.366 0.453 9 0 "[ . 1 . 2]"
1 102 VAL 11.381 0.467 1 0 "[ . 1 . 2]"
1 103 ASN 100.580 3.000 9 20 [********+******-****]
1 104 ARG 21.810 0.454 1 0 "[ . 1 . 2]"
1 105 LYS 22.802 0.453 9 0 "[ . 1 . 2]"
1 106 LEU 23.201 0.467 1 0 "[ . 1 . 2]"
1 107 SER 20.763 0.462 12 0 "[ . 1 . 2]"
1 108 ASP 24.803 0.537 13 4 "[ . - + . **]"
1 109 VAL 14.737 0.380 20 0 "[ . 1 . 2]"
1 110 TRP 18.872 0.386 1 0 "[ . 1 . 2]"
1 111 LYS 26.894 0.464 11 0 "[ . 1 . 2]"
1 112 GLU 30.043 0.537 13 4 "[ . - + . **]"
1 113 LEU 14.334 0.403 12 0 "[ . 1 . 2]"
1 114 SER 18.948 0.387 1 0 "[ . 1 . 2]"
1 115 LEU 25.967 0.464 11 0 "[ . 1 . 2]"
1 116 LEU 26.411 0.492 17 0 "[ . 1 . 2]"
1 117 LEU 9.033 0.403 12 0 "[ . 1 . 2]"
1 118 GLN 11.895 0.387 1 0 "[ . 1 . 2]"
1 119 VAL 11.045 0.450 17 0 "[ . 1 . 2]"
1 120 GLU 12.412 0.480 6 0 "[ . 1 . 2]"
1 136 GLN 15.711 0.501 6 1 "[ .+ 1 . 2]"
1 137 GLU 9.433 0.425 10 0 "[ . 1 . 2]"
1 138 ASP 99.871 2.965 14 20 [*************+***-**]
1 139 GLN 13.772 0.487 11 0 "[ . 1 . 2]"
1 140 GLN 31.101 0.512 6 2 "[ .+* 1 . 2]"
1 141 ASP 20.160 0.425 10 0 "[ . 1 . 2]"
1 142 ALA 22.235 0.446 11 0 "[ . 1 . 2]"
1 143 ASP 27.917 0.487 11 0 "[ . 1 . 2]"
1 144 GLU 25.128 0.512 6 2 "[ .+- 1 . 2]"
1 145 ASP 60.503 0.438 14 0 "[ . 1 . 2]"
1 146 ARG 22.008 0.482 1 0 "[ . 1 . 2]"
1 147 ARG 23.770 0.479 18 0 "[ . 1 . 2]"
1 148 ALA 9.738 0.382 10 0 "[ . 1 . 2]"
1 149 PHE 10.679 0.399 3 0 "[ . 1 . 2]"
1 150 GLN 11.804 0.482 1 0 "[ . 1 . 2]"
1 151 MET 9.625 0.363 20 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 16 HIS O 1 20 GLU H . . 1.800 3.213 2.620 3.966 2.166 15 20 [***-**********+*****] 3
2 1 16 HIS O 1 20 GLU N . . 2.700 3.903 3.236 4.694 1.994 7 20 [***-**+*************] 3
3 1 15 ILE O 1 19 CYS H . . 1.800 2.055 1.953 2.141 0.341 19 0 "[ . 1 . 2]" 3
4 1 15 ILE O 1 19 CYS N . . 2.700 2.874 2.781 2.978 0.278 13 0 "[ . 1 . 2]" 3
5 1 14 VAL O 1 18 ARG H . . 1.800 2.015 1.911 2.125 0.325 6 0 "[ . 1 . 2]" 3
6 1 14 VAL O 1 18 ARG N . . 2.700 2.966 2.850 3.095 0.395 6 0 "[ . 1 . 2]" 3
7 1 13 GLN O 1 17 LYS H . . 1.800 2.155 2.032 2.233 0.433 15 0 "[ . 1 . 2]" 3
8 1 13 GLN O 1 17 LYS N . . 2.700 3.046 2.928 3.189 0.489 15 0 "[ . 1 . 2]" 3
9 1 12 GLY O 1 16 HIS H . . 1.800 2.129 2.037 2.197 0.397 5 0 "[ . 1 . 2]" 3
10 1 12 GLY O 1 16 HIS N . . 2.700 3.078 2.983 3.155 0.455 5 0 "[ . 1 . 2]" 3
11 1 11 LEU O 1 15 ILE H . . 1.800 1.948 1.896 2.034 0.234 13 0 "[ . 1 . 2]" 3
12 1 11 LEU O 1 15 ILE N . . 2.700 2.792 2.743 2.930 0.230 13 0 "[ . 1 . 2]" 3
13 1 10 THR O 1 14 VAL H . . 1.800 2.024 1.947 2.142 0.342 3 0 "[ . 1 . 2]" 3
14 1 10 THR O 1 14 VAL N . . 2.700 2.975 2.867 3.102 0.402 3 0 "[ . 1 . 2]" 3
15 1 9 ILE O 1 13 GLN H . . 1.800 2.118 1.932 2.168 0.368 6 0 "[ . 1 . 2]" 3
16 1 9 ILE O 1 13 GLN N . . 2.700 3.047 2.844 3.143 0.443 19 0 "[ . 1 . 2]" 3
17 1 8 ILE O 1 12 GLY H . . 1.800 2.087 1.999 2.162 0.362 5 0 "[ . 1 . 2]" 3
18 1 8 ILE O 1 12 GLY N . . 2.700 3.014 2.871 3.070 0.370 4 0 "[ . 1 . 2]" 3
19 1 7 HIS O 1 11 LEU H . . 1.800 1.975 1.845 2.118 0.318 5 0 "[ . 1 . 2]" 3
20 1 7 HIS O 1 11 LEU N . . 2.700 2.910 2.795 3.020 0.320 18 0 "[ . 1 . 2]" 3
21 1 6 LYS O 1 10 THR H . . 1.800 2.073 1.936 2.180 0.380 9 0 "[ . 1 . 2]" 3
22 1 6 LYS O 1 10 THR N . . 2.700 2.992 2.822 3.121 0.421 9 0 "[ . 1 . 2]" 3
23 1 5 LEU O 1 9 ILE H . . 1.800 2.091 1.969 2.181 0.381 20 0 "[ . 1 . 2]" 3
24 1 5 LEU O 1 9 ILE N . . 2.700 3.040 2.942 3.149 0.449 9 0 "[ . 1 . 2]" 3
25 1 4 ASN O 1 8 ILE H . . 1.800 2.064 1.925 2.233 0.433 1 0 "[ . 1 . 2]" 3
26 1 4 ASN O 1 8 ILE N . . 2.700 2.995 2.844 3.154 0.454 1 0 "[ . 1 . 2]" 3
27 1 3 GLU O 1 7 HIS H . . 1.800 2.093 1.996 2.183 0.383 6 0 "[ . 1 . 2]" 3
28 1 3 GLU O 1 7 HIS N . . 2.700 3.002 2.844 3.129 0.429 6 0 "[ . 1 . 2]" 3
29 1 44 GLU O 1 48 ASP H . . 1.800 2.091 2.001 2.139 0.339 4 0 "[ . 1 . 2]" 3
30 1 44 GLU O 1 48 ASP N . . 2.700 2.963 2.784 3.093 0.393 4 0 "[ . 1 . 2]" 3
31 1 43 LEU O 1 47 GLN H . . 1.800 2.108 2.033 2.171 0.371 10 0 "[ . 1 . 2]" 3
32 1 43 LEU O 1 47 GLN N . . 2.700 2.923 2.760 3.096 0.396 13 0 "[ . 1 . 2]" 3
33 1 41 LYS O 1 45 MET H . . 1.800 2.142 2.039 2.263 0.463 9 0 "[ . 1 . 2]" 3
34 1 41 LYS O 1 45 MET N . . 2.700 3.048 2.905 3.230 0.530 9 2 "[ -. +1 . 2]" 3
35 1 40 ILE O 1 44 GLU H . . 1.800 1.991 1.933 2.082 0.282 4 0 "[ . 1 . 2]" 3
36 1 40 ILE O 1 44 GLU N . . 2.700 2.808 2.702 2.976 0.276 11 0 "[ . 1 . 2]" 3
37 1 39 LEU O 1 43 LEU H . . 1.800 3.304 2.932 3.624 1.824 13 20 [******-*****+*******] 3
38 1 39 LEU O 1 43 LEU N . . 2.700 4.234 3.851 4.548 1.848 13 20 [*-**********+*******] 3
39 1 37 LEU O 1 41 LYS H . . 1.800 2.131 2.044 2.208 0.408 8 0 "[ . 1 . 2]" 3
40 1 37 LEU O 1 41 LYS N . . 2.700 3.046 2.942 3.146 0.446 17 0 "[ . 1 . 2]" 3
41 1 36 VAL O 1 40 ILE H . . 1.800 1.971 1.903 2.137 0.337 4 0 "[ . 1 . 2]" 3
42 1 36 VAL O 1 40 ILE N . . 2.700 2.882 2.772 3.048 0.348 4 0 "[ . 1 . 2]" 3
43 1 35 ARG O 1 39 LEU H . . 1.800 2.135 2.067 2.187 0.387 7 0 "[ . 1 . 2]" 3
44 1 35 ARG O 1 39 LEU N . . 2.700 2.856 2.762 2.974 0.274 7 0 "[ . 1 . 2]" 3
45 1 34 HIS O 1 38 GLY H . . 1.800 2.131 2.002 2.202 0.402 8 0 "[ . 1 . 2]" 3
46 1 34 HIS O 1 38 GLY N . . 2.700 3.034 2.915 3.167 0.467 8 0 "[ . 1 . 2]" 3
47 1 33 GLY O 1 37 LEU H . . 1.800 2.090 1.989 2.169 0.369 12 0 "[ . 1 . 2]" 3
48 1 33 GLY O 1 37 LEU N . . 2.700 3.037 2.940 3.113 0.413 10 0 "[ . 1 . 2]" 3
49 1 32 LEU O 1 36 VAL H . . 1.800 1.993 1.910 2.127 0.327 7 0 "[ . 1 . 2]" 3
50 1 32 LEU O 1 36 VAL N . . 2.700 2.952 2.871 3.091 0.391 7 0 "[ . 1 . 2]" 3
51 1 31 ARG O 1 35 ARG H . . 1.800 2.059 1.921 2.185 0.385 17 0 "[ . 1 . 2]" 3
52 1 31 ARG O 1 35 ARG N . . 2.700 2.994 2.799 3.138 0.438 5 0 "[ . 1 . 2]" 3
53 1 30 ARG O 1 34 HIS H . . 1.800 2.056 1.969 2.123 0.323 17 0 "[ . 1 . 2]" 3
54 1 30 ARG O 1 34 HIS N . . 2.700 2.945 2.797 3.049 0.349 17 0 "[ . 1 . 2]" 3
55 1 29 CYS O 1 33 GLY H . . 1.800 2.081 1.983 2.167 0.367 7 0 "[ . 1 . 2]" 3
56 1 29 CYS O 1 33 GLY N . . 2.700 2.972 2.869 3.048 0.348 11 0 "[ . 1 . 2]" 3
57 1 28 GLN O 1 32 LEU H . . 1.800 2.042 1.887 2.142 0.342 8 0 "[ . 1 . 2]" 3
58 1 28 GLN O 1 32 LEU N . . 2.700 2.963 2.785 3.106 0.406 20 0 "[ . 1 . 2]" 3
59 1 27 LYS O 1 31 ARG H . . 1.800 2.048 1.954 2.167 0.367 20 0 "[ . 1 . 2]" 3
60 1 27 LYS O 1 31 ARG N . . 2.700 2.878 2.744 3.102 0.402 20 0 "[ . 1 . 2]" 3
61 1 26 LYS O 1 30 ARG H . . 1.800 2.119 1.985 2.224 0.424 17 0 "[ . 1 . 2]" 3
62 1 26 LYS O 1 30 ARG N . . 2.700 3.019 2.822 3.155 0.455 19 0 "[ . 1 . 2]" 3
63 1 87 CYS O 1 91 THR H . . 1.800 2.143 2.093 2.203 0.403 2 0 "[ . 1 . 2]" 3
64 1 87 CYS O 1 91 THR N . . 2.700 3.068 2.927 3.165 0.465 2 0 "[ . 1 . 2]" 3
65 1 86 ILE O 1 90 LEU H . . 1.800 2.016 1.974 2.090 0.290 3 0 "[ . 1 . 2]" 3
66 1 86 ILE O 1 90 LEU N . . 2.700 2.790 2.726 2.939 0.239 3 0 "[ . 1 . 2]" 3
67 1 85 ASN O 1 89 PHE H . . 1.800 2.199 2.167 2.258 0.458 4 0 "[ . 1 . 2]" 3
68 1 85 ASN O 1 89 PHE N . . 2.700 3.158 3.106 3.209 0.509 17 1 "[ . 1 . + 2]" 3
69 1 84 SER O 1 88 ARG H . . 1.800 2.112 2.040 2.163 0.363 5 0 "[ . 1 . 2]" 3
70 1 84 SER O 1 88 ARG N . . 2.700 2.984 2.894 3.079 0.379 19 0 "[ . 1 . 2]" 3
71 1 76 GLU O 1 80 PHE H . . 1.800 2.006 1.937 2.104 0.304 11 0 "[ . 1 . 2]" 3
72 1 76 GLU O 1 80 PHE N . . 2.700 2.813 2.729 2.954 0.254 11 0 "[ . 1 . 2]" 3
73 1 75 GLY O 1 79 LYS H . . 1.800 2.176 2.136 2.215 0.415 4 0 "[ . 1 . 2]" 3
74 1 75 GLY O 1 79 LYS N . . 2.700 3.058 2.981 3.148 0.448 12 0 "[ . 1 . 2]" 3
75 1 74 ASN O 1 78 GLU H . . 1.800 2.167 2.132 2.226 0.426 16 0 "[ . 1 . 2]" 3
76 1 74 ASN O 1 78 GLU N . . 2.700 3.011 2.918 3.155 0.455 16 0 "[ . 1 . 2]" 3
77 1 73 ALA O 1 77 ILE H . . 1.800 2.155 2.130 2.181 0.381 15 0 "[ . 1 . 2]" 3
78 1 73 ALA O 1 77 ILE N . . 2.700 3.133 3.095 3.162 0.462 15 0 "[ . 1 . 2]" 3
79 1 71 GLU O 1 75 GLY H . . 1.800 2.113 2.026 2.195 0.395 12 0 "[ . 1 . 2]" 3
80 1 71 GLU O 1 75 GLY N . . 2.700 3.017 2.881 3.159 0.459 11 0 "[ . 1 . 2]" 3
81 1 70 LEU O 1 74 ASN H . . 1.800 2.060 1.963 2.146 0.346 17 0 "[ . 1 . 2]" 3
82 1 70 LEU O 1 74 ASN N . . 2.700 2.975 2.784 3.094 0.394 17 0 "[ . 1 . 2]" 3
83 1 69 ALA O 1 73 ALA H . . 1.800 2.122 2.071 2.190 0.390 18 0 "[ . 1 . 2]" 3
84 1 69 ALA O 1 73 ALA N . . 2.700 3.046 2.956 3.134 0.434 18 0 "[ . 1 . 2]" 3
85 1 68 ALA O 1 72 GLU H . . 1.800 2.144 2.091 2.171 0.371 12 0 "[ . 1 . 2]" 3
86 1 68 ALA O 1 72 GLU N . . 2.700 3.051 2.958 3.112 0.412 12 0 "[ . 1 . 2]" 3
87 1 67 LYS O 1 71 GLU H . . 1.800 2.050 1.945 2.131 0.331 9 0 "[ . 1 . 2]" 3
88 1 67 LYS O 1 71 GLU N . . 2.700 2.896 2.746 3.022 0.322 13 0 "[ . 1 . 2]" 3
89 1 66 PHE O 1 70 LEU H . . 1.800 2.081 1.937 2.179 0.379 19 0 "[ . 1 . 2]" 3
90 1 66 PHE O 1 70 LEU N . . 2.700 2.987 2.867 3.076 0.376 19 0 "[ . 1 . 2]" 3
91 1 65 ARG O 1 69 ALA H . . 1.800 2.099 2.014 2.159 0.359 11 0 "[ . 1 . 2]" 3
92 1 65 ARG O 1 69 ALA N . . 2.700 2.980 2.833 3.066 0.366 15 0 "[ . 1 . 2]" 3
93 1 64 ASN O 1 68 ALA H . . 1.800 2.070 2.006 2.117 0.317 17 0 "[ . 1 . 2]" 3
94 1 64 ASN O 1 68 ALA N . . 2.700 2.983 2.902 3.046 0.346 10 0 "[ . 1 . 2]" 3
95 1 62 ALA O 1 66 PHE H . . 1.800 2.082 2.028 2.141 0.341 3 0 "[ . 1 . 2]" 3
96 1 62 ALA O 1 66 PHE N . . 2.700 2.959 2.853 3.066 0.366 3 0 "[ . 1 . 2]" 3
97 1 61 THR O 1 65 ARG H . . 1.800 2.048 1.941 2.191 0.391 19 0 "[ . 1 . 2]" 3
98 1 61 THR O 1 65 ARG N . . 2.700 2.964 2.788 3.151 0.451 19 0 "[ . 1 . 2]" 3
99 1 60 THR O 1 64 ASN H . . 1.800 2.085 2.004 2.137 0.337 14 0 "[ . 1 . 2]" 3
100 1 60 THR O 1 64 ASN N . . 2.700 2.880 2.763 3.041 0.341 14 0 "[ . 1 . 2]" 3
101 1 59 LEU O 1 63 MET H . . 1.800 2.050 1.954 2.145 0.345 3 0 "[ . 1 . 2]" 3
102 1 59 LEU O 1 63 MET N . . 2.700 2.979 2.850 3.092 0.392 3 0 "[ . 1 . 2]" 3
103 1 58 LYS O 1 62 ALA H . . 1.800 2.075 1.995 2.156 0.356 11 0 "[ . 1 . 2]" 3
104 1 58 LYS O 1 62 ALA N . . 2.700 2.971 2.826 3.111 0.411 13 0 "[ . 1 . 2]" 3
105 1 57 GLU O 1 61 THR H . . 1.800 2.077 1.954 2.152 0.352 18 0 "[ . 1 . 2]" 3
106 1 57 GLU O 1 61 THR N . . 2.700 3.002 2.848 3.097 0.397 1 0 "[ . 1 . 2]" 3
107 1 56 SER O 1 60 THR H . . 1.800 2.007 1.917 2.149 0.349 15 0 "[ . 1 . 2]" 3
108 1 56 SER O 1 60 THR N . . 2.700 2.950 2.838 3.107 0.407 11 0 "[ . 1 . 2]" 3
109 1 116 LEU O 1 120 GLU H . . 1.800 2.105 1.958 2.205 0.405 15 0 "[ . 1 . 2]" 3
110 1 116 LEU O 1 120 GLU N . . 2.700 3.016 2.875 3.180 0.480 6 0 "[ . 1 . 2]" 3
111 1 115 LEU O 1 119 VAL H . . 1.800 2.086 1.957 2.226 0.426 17 0 "[ . 1 . 2]" 3
112 1 115 LEU O 1 119 VAL N . . 2.700 2.967 2.814 3.150 0.450 17 0 "[ . 1 . 2]" 3
113 1 114 SER O 1 118 GLN H . . 1.800 2.104 2.017 2.151 0.351 10 0 "[ . 1 . 2]" 3
114 1 114 SER O 1 118 GLN N . . 2.700 2.991 2.802 3.087 0.387 1 0 "[ . 1 . 2]" 3
115 1 113 LEU O 1 117 LEU H . . 1.800 2.032 1.922 2.183 0.383 12 0 "[ . 1 . 2]" 3
116 1 113 LEU O 1 117 LEU N . . 2.700 2.919 2.776 3.103 0.403 12 0 "[ . 1 . 2]" 3
117 1 112 GLU O 1 116 LEU H . . 1.800 2.120 1.970 2.204 0.404 17 0 "[ . 1 . 2]" 3
118 1 112 GLU O 1 116 LEU N . . 2.700 3.080 2.929 3.192 0.492 17 0 "[ . 1 . 2]" 3
119 1 111 LYS O 1 115 LEU H . . 1.800 2.157 2.042 2.214 0.414 15 0 "[ . 1 . 2]" 3
120 1 111 LYS O 1 115 LEU N . . 2.700 3.089 2.950 3.164 0.464 11 0 "[ . 1 . 2]" 3
121 1 110 TRP O 1 114 SER H . . 1.800 1.950 1.891 2.050 0.250 7 0 "[ . 1 . 2]" 3
122 1 110 TRP O 1 114 SER N . . 2.700 2.903 2.806 3.019 0.319 7 0 "[ . 1 . 2]" 3
123 1 109 VAL O 1 113 LEU H . . 1.800 1.963 1.887 2.054 0.254 1 0 "[ . 1 . 2]" 3
124 1 109 VAL O 1 113 LEU N . . 2.700 2.802 2.735 2.922 0.222 2 0 "[ . 1 . 2]" 3
125 1 108 ASP O 1 112 GLU H . . 1.800 2.164 2.051 2.247 0.447 13 0 "[ . 1 . 2]" 3
126 1 108 ASP O 1 112 GLU N . . 2.700 3.138 3.006 3.237 0.537 13 4 "[ . - + . **]" 3
127 1 107 SER O 1 111 LYS H . . 1.800 2.102 1.914 2.200 0.400 12 0 "[ . 1 . 2]" 3
128 1 107 SER O 1 111 LYS N . . 2.700 2.997 2.789 3.162 0.462 12 0 "[ . 1 . 2]" 3
129 1 106 LEU O 1 110 TRP H . . 1.800 2.120 2.046 2.186 0.386 1 0 "[ . 1 . 2]" 3
130 1 106 LEU O 1 110 TRP N . . 2.700 2.971 2.853 3.075 0.375 1 0 "[ . 1 . 2]" 3
131 1 105 LYS O 1 109 VAL H . . 1.800 2.013 1.901 2.110 0.310 20 0 "[ . 1 . 2]" 3
132 1 105 LYS O 1 109 VAL N . . 2.700 2.958 2.817 3.080 0.380 20 0 "[ . 1 . 2]" 3
133 1 104 ARG O 1 108 ASP H . . 1.800 2.023 1.935 2.135 0.335 19 0 "[ . 1 . 2]" 3
134 1 104 ARG O 1 108 ASP N . . 2.700 2.915 2.789 3.088 0.388 19 0 "[ . 1 . 2]" 3
135 1 103 ASN O 1 107 SER H . . 1.800 2.037 1.926 2.135 0.335 9 0 "[ . 1 . 2]" 3
136 1 103 ASN O 1 107 SER N . . 2.700 2.902 2.762 3.082 0.382 9 0 "[ . 1 . 2]" 3
137 1 102 VAL O 1 106 LEU H . . 1.800 2.075 1.943 2.225 0.425 1 0 "[ . 1 . 2]" 3
138 1 102 VAL O 1 106 LEU N . . 2.700 2.994 2.850 3.167 0.467 1 0 "[ . 1 . 2]" 3
139 1 101 ASP O 1 105 LYS H . . 1.800 2.138 2.043 2.225 0.425 9 0 "[ . 1 . 2]" 3
140 1 101 ASP O 1 105 LYS N . . 2.700 3.030 2.846 3.153 0.453 9 0 "[ . 1 . 2]" 3
141 1 100 LYS O 1 104 ARG H . . 1.800 2.156 2.022 2.254 0.454 1 0 "[ . 1 . 2]" 3
142 1 100 LYS O 1 104 ARG N . . 2.700 2.996 2.766 3.116 0.416 4 0 "[ . 1 . 2]" 3
143 1 147 ARG O 1 151 MET H . . 1.800 2.083 1.945 2.163 0.363 20 0 "[ . 1 . 2]" 3
144 1 147 ARG O 1 151 MET N . . 2.700 2.899 2.790 3.040 0.340 20 0 "[ . 1 . 2]" 3
145 1 146 ARG O 1 150 GLN H . . 1.800 2.068 1.904 2.208 0.408 1 0 "[ . 1 . 2]" 3
146 1 146 ARG O 1 150 GLN N . . 2.700 3.023 2.876 3.182 0.482 1 0 "[ . 1 . 2]" 3
147 1 145 ASP O 1 149 PHE H . . 1.800 2.134 2.036 2.199 0.399 3 0 "[ . 1 . 2]" 3
148 1 145 ASP O 1 149 PHE N . . 2.700 2.900 2.792 3.041 0.341 6 0 "[ . 1 . 2]" 3
149 1 144 GLU O 1 148 ALA H . . 1.800 2.085 1.999 2.168 0.368 10 0 "[ . 1 . 2]" 3
150 1 144 GLU O 1 148 ALA N . . 2.700 2.902 2.764 3.082 0.382 10 0 "[ . 1 . 2]" 3
151 1 143 ASP O 1 147 ARG H . . 1.800 2.147 2.065 2.268 0.468 18 0 "[ . 1 . 2]" 3
152 1 143 ASP O 1 147 ARG N . . 2.700 3.061 2.945 3.179 0.479 18 0 "[ . 1 . 2]" 3
153 1 142 ALA O 1 146 ARG H . . 1.800 2.049 1.936 2.144 0.344 20 0 "[ . 1 . 2]" 3
154 1 142 ALA O 1 146 ARG N . . 2.700 2.961 2.863 3.086 0.386 20 0 "[ . 1 . 2]" 3
155 1 141 ASP O 1 145 ASP H . . 1.800 2.100 1.942 2.168 0.368 17 0 "[ . 1 . 2]" 3
156 1 141 ASP O 1 145 ASP N . . 2.700 2.936 2.805 3.092 0.392 17 0 "[ . 1 . 2]" 3
157 1 140 GLN O 1 144 GLU H . . 1.800 2.158 2.055 2.229 0.429 7 0 "[ . 1 . 2]" 3
158 1 140 GLN O 1 144 GLU N . . 2.700 3.112 2.961 3.212 0.512 6 2 "[ .+- 1 . 2]" 3
159 1 139 GLN O 1 143 ASP H . . 1.800 2.166 2.025 2.285 0.485 11 0 "[ . 1 . 2]" 3
160 1 139 GLN O 1 143 ASP N . . 2.700 3.023 2.806 3.187 0.487 11 0 "[ . 1 . 2]" 3
161 1 138 ASP O 1 142 ALA H . . 1.800 2.108 1.918 2.246 0.446 11 0 "[ . 1 . 2]" 3
162 1 138 ASP O 1 142 ALA N . . 2.700 2.993 2.789 3.107 0.407 17 0 "[ . 1 . 2]" 3
163 1 137 GLU O 1 141 ASP H . . 1.800 2.030 1.894 2.161 0.361 11 0 "[ . 1 . 2]" 3
164 1 137 GLU O 1 141 ASP N . . 2.700 2.941 2.784 3.125 0.425 10 0 "[ . 1 . 2]" 3
165 1 136 GLN O 1 140 GLN H . . 1.800 2.166 2.107 2.219 0.419 18 0 "[ . 1 . 2]" 3
166 1 136 GLN O 1 140 GLN N . . 2.700 3.120 3.049 3.201 0.501 6 1 "[ .+ 1 . 2]" 3
167 1 35 ARG QH1 1 138 ASP OD1 . . 1.800 4.427 4.122 4.765 2.965 14 20 [*************+*-****] 3
168 1 35 ARG NH1 1 138 ASP OD1 . . 2.700 4.465 4.193 4.843 2.143 14 20 [*************+***-**] 3
169 1 35 ARG QH2 1 103 ASN OD1 . . 1.800 4.509 4.199 4.800 3.000 9 20 [********+******-****] 3
170 1 35 ARG NH2 1 103 ASN OD1 . . 2.700 4.581 4.271 4.875 2.175 9 20 [********+******-****] 3
171 1 28 GLN HE21 1 145 ASP OD1 . . 1.800 2.128 2.100 2.183 0.383 2 0 "[ . 1 . 2]" 3
172 1 28 GLN NE2 1 145 ASP OD1 . . 2.700 3.023 2.839 3.092 0.392 19 0 "[ . 1 . 2]" 3
173 1 28 GLN OE1 1 98 LEU H . . 1.800 2.086 1.954 2.195 0.395 8 0 "[ . 1 . 2]" 3
174 1 28 GLN OE1 1 98 LEU N . . 2.700 3.002 2.733 3.115 0.415 5 0 "[ . 1 . 2]" 3
175 1 28 GLN H 1 145 ASP OD1 . . 1.800 2.131 2.104 2.168 0.368 15 0 "[ . 1 . 2]" 3
176 1 28 GLN N 1 145 ASP OD1 . . 2.700 2.993 2.786 3.097 0.397 20 0 "[ . 1 . 2]" 3
177 1 27 LYS H 1 145 ASP OD2 . . 1.800 2.126 2.079 2.153 0.353 9 0 "[ . 1 . 2]" 3
178 1 27 LYS N 1 145 ASP OD2 . . 2.700 3.055 2.894 3.138 0.438 14 0 "[ . 1 . 2]" 3
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