Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590989 | 2n0k RC | 25527 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n0k
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 1351
_Distance_constraint_stats_list.Viol_count 5857
_Distance_constraint_stats_list.Viol_total 28710.119
_Distance_constraint_stats_list.Viol_max 4.280
_Distance_constraint_stats_list.Viol_rms 0.4664
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2624
_Distance_constraint_stats_list.Viol_average_violations_only 0.5446
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 SER 3.594 0.564 3 3 "[-*+ . ]"
1 4 GLU 7.496 1.174 6 5 "[*** .+ - ]"
1 5 MET 30.126 1.967 4 8 "[***+** -*]"
1 6 ARG 7.156 1.617 6 6 "[****.+ -]"
1 7 LEU 24.501 2.092 3 9 [**+****-*]
1 8 GLU 18.772 1.617 6 9 [*****+*-*]
1 9 LYS 5.700 0.585 3 1 "[ + . ]"
1 10 ASP 11.183 1.821 7 7 "[***** +- ]"
1 11 ARG 26.413 2.092 3 9 [**+****-*]
1 12 PHE 44.120 1.841 2 9 [-+*******]
1 13 SER 19.235 1.449 3 7 "[ +*****-]"
1 14 VAL 106.383 2.150 9 9 [********+]
1 15 ASN 13.297 0.902 9 3 "[-* . +]"
1 16 LEU 31.472 0.970 9 9 [-*******+]
1 17 ASP 38.042 3.353 9 9 [-*******+]
1 18 VAL 43.817 1.610 2 9 [*+-******]
1 19 LYS 13.535 1.423 7 7 "[ -****+* ]"
1 20 HIS 42.877 1.633 3 9 [**+****-*]
1 21 PHE 67.259 2.949 9 9 [*****-**+]
1 22 SER 21.630 1.206 9 6 "[* * **- +]"
1 23 PRO 25.437 2.949 9 9 [****-***+]
1 24 GLU 23.505 1.340 5 9 [****+****]
1 25 GLU 27.685 1.340 5 9 [***-+****]
1 26 LEU 62.650 2.061 2 9 [*+*-*****]
1 27 LYS 12.772 0.696 7 7 "[* *-.*+**]"
1 28 VAL 21.563 2.061 2 8 "[*+****- *]"
1 29 LYS 23.307 1.160 4 9 [***+**-**]
1 30 VAL 33.997 3.851 8 9 [*-*****+*]
1 31 LEU 42.023 2.797 5 9 [***-+****]
1 32 GLY 16.001 1.123 1 9 [+*******-]
1 33 ASP 22.157 2.513 3 9 [**+******]
1 34 VAL 57.850 3.851 8 9 [***-***+*]
1 35 ILE 49.674 1.795 4 9 [*-*+*****]
1 36 GLU 29.528 1.162 4 9 [***+*-***]
1 37 VAL 59.338 3.353 9 9 [*******-+]
1 38 HIS 33.344 1.010 2 9 [*+****-**]
1 39 GLY 41.764 1.675 3 9 [-*+******]
1 40 LYS 36.695 1.899 7 9 [******+*-]
1 41 HIS 56.525 3.899 3 9 [**+***-**]
1 42 GLU 19.128 1.416 9 7 "[** *** -+]"
1 43 GLU 22.852 2.295 5 9 [****+***-]
1 44 ARG 81.253 2.690 7 9 [*-****+**]
1 45 GLN 26.774 1.615 2 9 [*+*******]
1 46 ASP 75.424 2.339 7 9 [-*****+**]
1 47 GLU 13.676 1.149 8 9 [****-**+*]
1 48 HIS 47.883 2.324 3 9 [**+****-*]
1 49 GLY 22.058 2.183 4 8 [***+.-***]
1 50 PHE 48.696 1.699 8 9 [*******+-]
1 51 ILE 96.881 2.852 5 9 [****+**-*]
1 52 SER 38.669 3.899 3 9 [**+*****-]
1 53 ARG 28.307 1.724 9 9 [*****-**+]
1 54 GLU 21.842 1.280 3 9 [**+*-****]
1 55 PHE 88.907 4.280 4 9 [***+*****]
1 56 HIS 37.235 1.750 7 9 [***-**+**]
1 57 ARG 30.424 3.978 5 9 [****+-***]
1 58 LYS 22.504 0.903 2 8 "[*+***-* *]"
1 59 TYR 108.291 2.742 6 9 [*****+**-]
1 60 ARG 43.990 2.736 6 9 [***-*+***]
1 61 ILE 127.226 4.210 2 9 [*+**-****]
1 62 PRO 25.370 1.536 6 9 [*-***+***]
1 63 ALA 3.405 0.633 8 1 "[ . + ]"
1 64 ASP 6.731 0.587 6 5 "[** *+ -]"
1 65 VAL 36.831 2.469 8 9 [*******+-]
1 66 ASP 6.553 0.934 8 1 "[ . + ]"
1 67 PRO 7.767 0.855 9 8 "[*- *****+]"
1 68 LEU 0.699 0.279 2 0 "[ . ]"
1 69 THR 45.094 2.830 3 9 [**+****-*]
1 70 ILE 78.316 2.830 3 9 [*-+******]
1 71 THR 17.836 1.184 2 9 [*+-******]
1 72 SER 30.818 1.639 7 9 [**-***+**]
1 73 SER 5.756 0.530 2 2 "[ +- . ]"
1 74 LEU 6.645 0.691 2 1 "[ + . ]"
1 75 SER 8.916 0.998 8 9 [**-****+*]
1 76 SER 0.000 0.000 . 0 "[ . ]"
1 77 ASP 2.458 0.382 3 0 "[ . ]"
1 78 GLY 15.591 1.001 3 9 [**+******]
1 79 VAL 7.374 0.649 4 2 "[ +- ]"
1 80 LEU 11.340 0.559 4 4 "[ *-+. * ]"
1 81 THR 23.511 0.747 5 9 [-***+****]
1 82 VAL 59.995 2.150 9 9 [******-*+]
1 83 ASP 32.772 0.997 6 9 [**-**+***]
1 84 GLY 39.137 1.842 6 9 [**-**+***]
1 85 PRO 42.622 4.210 2 9 [*+*****-*]
1 86 ARG 21.430 1.842 6 9 [*****+***]
1 87 LYS 28.470 2.469 8 9 [**-****+*]
1 88 GLN 15.811 1.036 8 9 [*-*****+*]
1 89 VAL 2.233 0.813 7 1 "[ . + ]"
2 3 SER 3.591 0.560 3 3 "[-*+ . ]"
2 4 GLU 7.496 1.173 6 5 "[*** .+ - ]"
2 5 MET 30.169 1.965 4 8 "[***+** -*]"
2 6 ARG 7.160 1.617 6 6 "[****.+ -]"
2 7 LEU 24.515 2.094 3 9 [**+****-*]
2 8 GLU 18.768 1.617 6 9 [*****+*-*]
2 9 LYS 5.698 0.582 3 1 "[ + . ]"
2 10 ASP 11.187 1.822 7 7 "[***** +- ]"
2 11 ARG 26.423 2.094 3 9 [**+****-*]
2 12 PHE 44.483 1.842 2 9 [-+*******]
2 13 SER 19.241 1.449 3 7 "[ +*****-]"
2 14 VAL 106.803 2.147 9 9 [********+]
2 15 ASN 13.257 0.891 9 3 "[-* . +]"
2 16 LEU 31.476 0.971 9 9 [-*******+]
2 17 ASP 38.036 3.353 9 9 [-*******+]
2 18 VAL 43.806 1.609 2 9 [*+-******]
2 19 LYS 13.541 1.422 7 7 "[ -****+* ]"
2 20 HIS 42.908 1.633 3 9 [**+****-*]
2 21 PHE 67.293 2.950 9 9 [*****-**+]
2 22 SER 21.622 1.208 9 6 "[* * **- +]"
2 23 PRO 25.431 2.950 9 9 [****-***+]
2 24 GLU 23.502 1.341 5 9 [****+****]
2 25 GLU 27.689 1.341 5 9 [***-+****]
2 26 LEU 62.654 2.063 2 9 [*+*-*****]
2 27 LYS 12.769 0.697 7 7 "[* *-.*+**]"
2 28 VAL 21.570 2.063 2 8 "[*+****- *]"
2 29 LYS 23.301 1.159 4 9 [***+**-**]
2 30 VAL 33.971 3.849 8 9 [*-*****+*]
2 31 LEU 42.016 2.799 5 9 [***-+****]
2 32 GLY 16.002 1.123 1 9 [+*******-]
2 33 ASP 22.145 2.513 3 9 [**+******]
2 34 VAL 57.992 3.849 8 9 [***-***+*]
2 35 ILE 49.812 1.798 4 9 [*-*+*****]
2 36 GLU 29.500 1.161 4 9 [***+*-***]
2 37 VAL 59.345 3.353 9 9 [*******-+]
2 38 HIS 33.413 1.012 2 9 [*+*-*****]
2 39 GLY 41.795 1.677 3 9 [-*+******]
2 40 LYS 36.674 1.899 7 9 [******+*-]
2 41 HIS 56.573 3.900 3 9 [**+***-**]
2 42 GLU 19.141 1.416 9 7 "[** *** -+]"
2 43 GLU 22.836 2.299 5 9 [****+***-]
2 44 ARG 81.260 2.691 7 9 [*-****+**]
2 45 GLN 26.779 1.616 2 9 [*+*******]
2 46 ASP 75.432 2.340 7 9 [-*****+**]
2 47 GLU 13.675 1.149 8 9 [****-**+*]
2 48 HIS 73.940 3.978 5 9 [****+**-*]
2 49 GLY 32.020 2.183 4 9 [***+*-***]
2 50 PHE 52.075 2.736 6 9 [*****+**-]
2 51 ILE 92.785 2.858 5 9 [****+**-*]
2 52 SER 38.140 3.900 3 9 [**+*****-]
2 53 ARG 54.535 4.280 4 9 [***+*-***]
2 54 GLU 23.927 1.280 3 9 [**+*-****]
2 55 PHE 64.250 1.899 7 9 [******+-*]
2 56 HIS 27.680 1.011 2 9 [*+*****-*]
2 57 ARG 10.133 0.904 2 8 "[ +***-***]"
2 58 LYS 36.109 1.611 2 9 [*+**-****]
2 59 TYR 93.436 2.741 6 9 [*****+**-]
2 60 ARG 37.105 2.513 3 9 [**+-*****]
2 61 ILE 127.305 4.211 2 9 [*+**-****]
2 62 PRO 25.372 1.536 6 9 [*-***+***]
2 63 ALA 3.381 0.635 8 1 "[ . + ]"
2 64 ASP 6.733 0.591 6 5 "[** *+ -]"
2 65 VAL 36.811 2.469 8 9 [*******+-]
2 66 ASP 5.921 0.610 8 1 "[ . + ]"
2 67 PRO 7.682 0.856 9 8 "[*- *****+]"
2 68 LEU 0.699 0.278 2 0 "[ . ]"
2 69 THR 43.516 2.830 3 9 [**+****-*]
2 70 ILE 78.102 2.830 3 9 [*-+******]
2 71 THR 17.786 1.184 2 9 [*+-******]
2 72 SER 30.860 1.639 7 9 [***-**+**]
2 73 SER 5.743 0.528 2 2 "[ +- . ]"
2 74 LEU 6.643 0.692 2 1 "[ + . ]"
2 75 SER 8.919 0.998 8 9 [**-****+*]
2 76 SER 0.000 0.000 . 0 "[ . ]"
2 77 ASP 2.471 0.385 3 0 "[ . ]"
2 78 GLY 15.595 1.001 3 9 [**+******]
2 79 VAL 7.440 0.652 4 2 "[ +- ]"
2 80 LEU 11.327 0.561 4 4 "[ *-+. * ]"
2 81 THR 23.516 0.746 5 9 [-***+****]
2 82 VAL 59.840 2.147 9 9 [******-*+]
2 83 ASP 32.612 0.996 6 9 [**-**+***]
2 84 GLY 39.138 1.842 1 9 [+*-******]
2 85 PRO 42.622 4.211 2 9 [*+*****-*]
2 86 ARG 21.431 1.842 1 9 [+****-***]
2 87 LYS 28.467 2.469 8 9 [**-****+*]
2 88 GLN 15.827 1.039 8 9 [*-*****+*]
2 89 VAL 2.245 0.815 7 1 "[ . + ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER H 1 3 SER HB3 3.760 3.010 4.510 2.908 2.446 3.609 0.564 3 2 "[ -+ . ]" 1
2 1 3 SER HA 1 3 SER HB2 2.585 2.070 3.100 2.491 2.396 3.007 . 0 0 "[ . ]" 1
3 1 3 SER HA 1 3 SER HB3 2.575 2.060 3.090 2.588 2.417 3.011 . 0 0 "[ . ]" 1
4 1 3 SER HA 1 16 LEU QD 4.655 3.720 5.590 4.997 3.180 5.998 0.540 1 1 "[+ . ]" 1
5 1 4 GLU H 1 4 GLU HA 2.240 . 2.680 2.937 2.849 3.014 0.334 4 0 "[ . ]" 1
6 1 4 GLU H 1 4 GLU QG 2.500 . 3.000 3.517 2.628 4.174 1.174 6 5 "[*** .+ - ]" 1
7 1 5 MET H 1 5 MET HA 3.355 2.680 4.030 2.918 2.739 2.998 . 0 0 "[ . ]" 1
8 1 5 MET H 1 5 MET ME 3.990 3.190 4.790 3.986 2.610 5.081 0.580 8 1 "[ . + ]" 1
9 1 5 MET H 1 5 MET QG 3.450 2.760 4.140 3.417 2.280 4.010 0.480 9 0 "[ . ]" 1
10 1 5 MET HA 1 5 MET QG 3.200 2.560 3.840 2.666 2.408 3.481 0.152 4 0 "[ . ]" 1
11 1 5 MET HA 1 14 VAL HA 3.140 2.510 3.770 2.681 2.232 3.088 0.278 4 0 "[ . ]" 1
12 1 5 MET HA 1 14 VAL QG 4.250 3.730 5.100 2.748 2.137 4.051 1.593 2 6 "[*+ **- *]" 1
13 1 5 MET ME 1 7 LEU QD 4.150 3.320 4.980 5.025 2.857 6.554 1.574 5 2 "[- + ]" 1
14 1 5 MET ME 1 14 VAL QG 4.900 4.010 5.220 3.354 2.043 4.170 1.967 4 4 "[ **+. - ]" 1
15 1 5 MET ME 1 59 TYR QD 4.015 3.210 4.820 3.524 2.574 4.904 0.636 9 1 "[ . +]" 1
16 1 5 MET ME 1 59 TYR QE 4.650 3.720 5.580 3.686 2.077 5.907 1.643 8 4 "[ *-*. + ]" 1
17 1 5 MET QG 1 6 ARG H 3.740 2.990 4.490 3.274 2.668 4.196 0.322 1 0 "[ . ]" 1
18 1 6 ARG HA 1 7 LEU H 2.385 . 2.860 2.186 2.115 2.300 . 0 0 "[ . ]" 1
19 1 6 ARG QG 1 8 GLU H 2.575 2.060 3.090 3.833 3.285 4.707 1.617 6 6 "[****.+ -]" 1
20 1 7 LEU H 1 7 LEU QB . 2.480 2.980 2.366 2.256 2.573 0.224 2 0 "[ . ]" 1
21 1 7 LEU H 1 7 LEU QD 4.300 3.820 4.780 3.515 2.146 3.906 1.674 2 3 "[ + .* - ]" 1
22 1 7 LEU QB 1 8 GLU H 2.580 2.060 3.100 3.729 2.909 3.998 0.898 7 7 "[* *** +-*]" 1
23 1 7 LEU QB 1 11 ARG H 3.175 2.540 3.700 4.789 3.462 5.792 2.092 3 6 "[* +*- * *]" 1
24 1 7 LEU QD 1 8 GLU H 3.425 2.740 4.110 3.149 2.422 4.238 0.318 5 0 "[ . ]" 1
25 1 8 GLU H 1 8 GLU QG 3.475 2.780 4.170 2.463 2.158 2.736 0.622 1 2 "[+ .- ]" 1
26 1 8 GLU H 1 13 SER H 3.400 2.720 4.080 4.281 3.430 5.529 1.449 3 2 "[ + . -]" 1
27 1 8 GLU HA 1 9 LYS H 3.185 2.550 3.820 2.631 2.402 2.954 0.148 7 0 "[ . ]" 1
28 1 9 LYS H 1 9 LYS HA 3.550 2.840 4.260 2.684 2.561 2.906 0.279 2 0 "[ . ]" 1
29 1 9 LYS H 1 9 LYS QB 3.050 2.440 3.660 2.300 2.254 2.371 0.186 6 0 "[ . ]" 1
30 1 9 LYS H 1 9 LYS QG 3.625 2.900 4.350 3.847 2.511 4.036 0.389 3 0 "[ . ]" 1
31 1 9 LYS H 1 10 ASP H 3.760 3.010 4.510 3.210 2.425 3.616 0.585 3 1 "[ + . ]" 1
32 1 9 LYS QB 1 10 ASP H 3.015 2.410 3.620 2.253 1.976 2.852 0.434 2 0 "[ . ]" 1
33 1 10 ASP H 1 10 ASP HA 3.040 2.430 3.650 2.957 2.896 2.998 . 0 0 "[ . ]" 1
34 1 10 ASP H 1 10 ASP QB 2.960 2.370 3.550 3.183 3.089 3.310 . 0 0 "[ . ]" 1
35 1 10 ASP H 1 11 ARG H 3.075 2.480 3.670 2.505 2.194 2.999 0.286 6 0 "[ . ]" 1
36 1 10 ASP H 1 11 ARG HB2 3.775 3.020 4.530 4.161 3.525 5.306 0.776 4 2 "[ +. - ]" 1
37 1 10 ASP H 1 11 ARG QG 3.330 2.660 4.000 4.048 2.729 5.821 1.821 7 4 "[** - + ]" 1
38 1 10 ASP HA 1 11 ARG H 2.750 2.200 3.300 2.771 2.597 2.966 . 0 0 "[ . ]" 1
39 1 10 ASP QB 1 11 ARG H 3.295 2.640 3.950 4.050 4.029 4.061 0.111 2 0 "[ . ]" 1
40 1 11 ARG H 1 11 ARG HB3 3.825 3.060 4.590 3.386 2.948 3.883 0.112 5 0 "[ . ]" 1
41 1 11 ARG H 1 11 ARG QG 2.925 2.340 3.510 3.498 2.362 4.269 0.759 5 4 "[-* + * ]" 1
42 1 11 ARG H 1 12 PHE H 3.885 2.930 4.400 4.261 3.876 4.476 0.076 9 0 "[ . ]" 1
43 1 11 ARG QG 1 12 PHE HA 3.640 2.910 4.370 4.643 3.816 5.845 1.475 6 3 "[ * .+ -]" 1
44 1 12 PHE H 1 12 PHE HA 3.535 2.830 4.240 2.959 2.844 3.004 . 0 0 "[ . ]" 1
45 1 12 PHE H 1 12 PHE QD 4.190 3.380 5.000 3.701 2.583 4.422 0.797 8 3 "[ * -. + ]" 1
46 1 12 PHE H 1 86 ARG H 4.190 3.380 5.000 4.336 3.268 5.420 0.420 8 0 "[ . ]" 1
47 1 12 PHE HA 1 12 PHE HB2 3.390 2.710 4.070 2.372 2.322 2.485 0.388 8 0 "[ . ]" 1
48 1 12 PHE HA 1 12 PHE HB3 3.435 2.750 4.120 2.834 2.398 3.029 0.352 2 0 "[ . ]" 1
49 1 12 PHE HA 1 12 PHE QD 3.675 2.940 4.410 3.133 2.754 3.731 0.186 5 0 "[ . ]" 1
50 1 12 PHE HA 1 13 SER H 3.015 2.410 3.620 2.186 2.109 2.319 0.301 1 0 "[ . ]" 1
51 1 12 PHE QD 1 13 SER HB2 4.785 3.830 5.740 5.651 4.742 6.399 0.659 9 1 "[ . +]" 1
52 1 12 PHE QD 1 13 SER HB3 4.905 3.920 5.890 5.469 5.024 5.830 . 0 0 "[ . ]" 1
53 1 12 PHE QD 1 14 VAL HB 4.755 3.800 5.710 5.362 4.586 5.917 0.207 7 0 "[ . ]" 1
54 1 12 PHE QD 1 14 VAL QG 4.225 3.380 5.070 3.572 2.160 5.364 1.220 8 2 "[ -. + ]" 1
55 1 12 PHE QD 1 83 ASP QB 4.725 3.810 5.670 4.513 3.892 5.103 . 0 0 "[ . ]" 1
56 1 12 PHE QD 1 85 PRO HA 4.440 3.550 5.330 5.407 4.592 5.979 0.649 5 2 "[- + ]" 1
57 1 12 PHE QE 1 35 ILE MD 4.595 3.680 5.510 2.869 2.207 4.403 1.473 5 8 "[* **+*-**]" 1
58 1 12 PHE QE 1 70 ILE MD 4.285 3.430 5.140 3.171 1.985 3.947 1.445 9 4 "[- ** +]" 1
59 1 12 PHE QE 1 70 ILE MG 4.825 3.860 5.790 3.180 2.019 4.848 1.841 2 6 "[*+* -* *]" 1
60 1 12 PHE HZ 1 14 VAL QG 4.260 3.410 5.110 3.643 2.461 5.914 0.949 3 5 "[**+ * - ]" 1
61 1 13 SER H 1 13 SER HB2 4.000 3.200 4.800 3.636 3.184 3.963 0.016 7 0 "[ . ]" 1
62 1 13 SER HA 1 13 SER HB2 2.925 2.340 3.510 2.411 2.380 2.432 . 0 0 "[ . ]" 1
63 1 13 SER HA 1 13 SER HB3 3.000 2.400 3.600 2.714 2.444 3.022 . 0 0 "[ . ]" 1
64 1 13 SER HA 1 14 VAL QG 3.400 . 5.000 3.518 3.282 3.927 . 0 0 "[ . ]" 1
65 1 13 SER HA 1 81 THR MG 4.390 3.510 5.270 3.848 3.628 4.138 . 0 0 "[ . ]" 1
66 1 13 SER HA 1 83 ASP HA 2.935 2.390 3.480 2.201 2.043 2.373 0.347 1 0 "[ . ]" 1
67 1 13 SER HA 1 83 ASP QB 3.200 2.640 3.760 2.145 2.016 2.352 0.624 7 5 "[ *-* +* ]" 1
68 1 13 SER HB2 1 14 VAL H 3.615 2.890 4.340 3.234 2.230 4.245 0.660 9 1 "[ . +]" 1
69 1 13 SER HB2 1 81 THR MG 4.125 3.300 4.950 3.342 2.630 4.062 0.670 5 2 "[ +- ]" 1
70 1 13 SER HB2 1 83 ASP HA 3.490 2.770 4.160 4.187 4.128 4.251 0.091 2 0 "[ . ]" 1
71 1 13 SER HB2 1 83 ASP QB 3.545 2.800 4.170 2.491 2.354 2.680 0.446 7 0 "[ . ]" 1
72 1 13 SER HB3 1 14 VAL H 3.790 3.030 4.550 4.004 3.706 4.337 . 0 0 "[ . ]" 1
73 1 13 SER HB3 1 81 THR MG 4.325 3.460 5.190 4.127 3.815 4.576 . 0 0 "[ . ]" 1
74 1 13 SER HB3 1 83 ASP QB 3.615 2.840 4.170 3.200 2.515 3.697 0.325 5 0 "[ . ]" 1
75 1 14 VAL H 1 14 VAL QG 4.140 3.810 4.970 2.644 2.319 2.955 1.491 4 9 [-**+*****] 1
76 1 14 VAL H 1 15 ASN H 3.500 2.800 4.200 4.259 3.862 4.467 0.267 2 0 "[ . ]" 1
77 1 14 VAL H 1 81 THR HA 3.710 2.970 4.450 4.119 3.534 4.551 0.101 4 0 "[ . ]" 1
78 1 14 VAL H 1 82 VAL H 3.755 3.000 4.510 3.098 2.871 3.419 0.129 9 0 "[ . ]" 1
79 1 14 VAL HA 1 14 VAL HB 3.395 2.670 4.000 2.920 2.549 3.038 0.121 6 0 "[ . ]" 1
80 1 14 VAL HA 1 14 VAL QG 3.875 3.090 4.460 2.140 2.088 2.228 1.002 5 9 [****+***-] 1
81 1 14 VAL HA 1 15 ASN HB2 3.975 3.180 4.770 4.555 4.320 4.794 0.024 5 0 "[ . ]" 1
82 1 14 VAL HB 1 82 VAL HB 3.505 2.800 4.210 2.946 2.155 4.459 0.645 5 3 "[*- + ]" 1
83 1 14 VAL HB 1 82 VAL QG 3.970 3.180 4.760 3.392 1.921 4.524 1.259 3 1 "[ + . ]" 1
84 1 14 VAL HB 1 83 ASP QB 3.915 3.190 4.700 5.042 4.647 5.697 0.997 6 2 "[ .+ -]" 1
85 1 14 VAL QG 1 15 ASN H 3.685 2.950 4.420 2.693 2.048 3.208 0.902 9 3 "[-* . +]" 1
86 1 14 VAL QG 1 15 ASN HB2 4.125 3.580 4.950 4.574 4.179 5.020 0.070 5 0 "[ . ]" 1
87 1 14 VAL QG 1 16 LEU H 4.500 4.000 5.000 3.685 3.225 4.225 0.775 2 3 "[ + *. -]" 1
88 1 14 VAL QG 1 16 LEU QB 3.740 3.250 4.490 3.592 2.496 3.940 0.754 5 1 "[ + ]" 1
89 1 14 VAL QG 1 16 LEU HG 3.540 2.830 4.030 2.620 1.926 4.399 0.904 2 7 "[*+**.-** ]" 1
90 1 14 VAL QG 1 35 ILE MD 5.020 4.020 6.020 3.080 2.225 4.093 1.795 4 7 "[- *+**** ]" 1
91 1 14 VAL QG 1 59 TYR QD 4.500 3.600 5.400 3.074 2.665 4.282 0.935 5 7 "[ **+***-]" 1
92 1 14 VAL QG 1 59 TYR QE 4.565 3.650 5.480 2.850 2.254 4.137 1.396 9 7 "[* **- **+]" 1
93 1 14 VAL QG 1 82 VAL H 4.420 3.840 5.000 2.987 1.690 3.555 2.150 9 5 "[-* ** +]" 1
94 1 14 VAL QG 1 82 VAL QG 5.095 4.080 6.110 2.891 2.332 3.287 1.748 3 9 [**+-*****] 1
95 1 15 ASN H 1 15 ASN HA 3.545 2.840 4.250 2.981 2.947 3.006 . 0 0 "[ . ]" 1
96 1 15 ASN H 1 15 ASN HB2 3.135 2.510 3.760 2.732 2.428 3.229 0.082 6 0 "[ . ]" 1
97 1 15 ASN H 1 15 ASN HB3 3.300 2.640 3.960 3.088 2.496 3.740 0.144 3 0 "[ . ]" 1
98 1 15 ASN H 1 15 ASN HD21 4.180 3.360 5.000 4.357 3.059 5.316 0.316 9 0 "[ . ]" 1
99 1 15 ASN H 1 16 LEU H 3.955 3.090 4.630 4.295 4.039 4.536 . 0 0 "[ . ]" 1
100 1 15 ASN H 1 16 LEU QD 4.325 3.650 5.000 4.213 3.668 4.677 . 0 0 "[ . ]" 1
101 1 15 ASN HA 1 15 ASN HB2 3.325 2.660 3.990 2.712 2.461 3.025 0.199 9 0 "[ . ]" 1
102 1 15 ASN HA 1 15 ASN HB3 3.380 2.700 4.060 2.765 2.451 3.018 0.249 7 0 "[ . ]" 1
103 1 15 ASN HA 1 16 LEU H 3.085 2.470 3.700 2.154 2.107 2.277 0.363 6 0 "[ . ]" 1
104 1 15 ASN HA 1 16 LEU QD 4.075 3.260 4.890 4.027 3.001 4.593 0.259 9 0 "[ . ]" 1
105 1 15 ASN HA 1 81 THR HA 3.150 2.490 3.730 2.807 2.520 3.130 . 0 0 "[ . ]" 1
106 1 15 ASN HA 1 81 THR MG 4.135 3.310 4.960 3.504 3.113 3.850 0.197 4 0 "[ . ]" 1
107 1 15 ASN HA 1 82 VAL H 3.735 2.990 4.480 4.109 3.712 4.430 . 0 0 "[ . ]" 1
108 1 15 ASN HB2 1 16 LEU H 3.560 2.850 4.270 4.357 4.013 4.586 0.316 4 0 "[ . ]" 1
109 1 15 ASN HB3 1 16 LEU H 3.505 2.800 4.210 3.905 2.809 4.470 0.260 4 0 "[ . ]" 1
110 1 16 LEU H 1 16 LEU HA 3.540 2.830 4.250 2.984 2.895 3.010 . 0 0 "[ . ]" 1
111 1 16 LEU H 1 16 LEU QD 3.700 2.890 4.340 3.069 1.920 3.655 0.970 9 2 "[ - +]" 1
112 1 16 LEU H 1 17 ASP H 3.960 3.170 4.750 4.535 4.443 4.635 . 0 0 "[ . ]" 1
113 1 16 LEU H 1 80 LEU H 4.195 3.390 5.000 3.639 2.918 4.617 0.472 6 0 "[ . ]" 1
114 1 16 LEU HA 1 16 LEU QD 3.060 2.450 3.670 2.465 2.147 3.440 0.303 8 0 "[ . ]" 1
115 1 16 LEU HA 1 16 LEU HG 2.750 2.200 3.300 3.194 2.965 3.672 0.372 5 0 "[ . ]" 1
116 1 16 LEU QB 1 18 VAL QG 3.585 2.870 4.300 3.024 2.176 3.696 0.694 8 1 "[ . + ]" 1
117 1 16 LEU QD 1 17 ASP H 4.035 3.070 4.610 3.452 3.248 3.903 . 0 0 "[ . ]" 1
118 1 16 LEU QD 1 81 THR HA 4.400 3.520 5.280 4.004 2.931 4.976 0.589 5 1 "[ + ]" 1
119 1 16 LEU HG 1 17 ASP H 3.560 2.850 4.270 4.747 3.839 5.050 0.780 8 7 "[-***.**+ ]" 1
120 1 16 LEU HG 1 18 VAL QG 4.065 3.250 4.880 4.629 2.536 5.705 0.825 4 3 "[ +* - ]" 1
121 1 16 LEU HG 1 81 THR HA 4.450 3.560 5.340 4.460 3.695 5.435 0.095 9 0 "[ . ]" 1
122 1 17 ASP H 1 17 ASP HA 2.990 2.390 3.590 2.963 2.938 2.994 . 0 0 "[ . ]" 1
123 1 17 ASP H 1 17 ASP HB2 3.340 2.670 4.010 2.736 2.648 2.889 0.022 5 0 "[ . ]" 1
124 1 17 ASP H 1 17 ASP HB3 3.250 2.600 3.900 2.493 2.434 2.511 0.166 1 0 "[ . ]" 1
125 1 17 ASP HA 1 18 VAL H 3.525 2.820 4.230 2.126 2.110 2.158 0.710 9 9 [*******-+] 1
126 1 17 ASP HA 1 18 VAL QG 3.640 3.290 4.370 3.526 3.331 3.897 . 0 0 "[ . ]" 1
127 1 17 ASP HA 1 37 VAL QG 3.205 2.560 3.850 6.730 6.114 7.203 3.353 9 9 [**-*****+] 1
128 1 18 VAL H 1 18 VAL HB 2.825 2.260 3.390 3.462 2.518 3.949 0.559 5 2 "[ - + ]" 1
129 1 18 VAL H 1 18 VAL QG 3.675 2.940 4.250 2.379 2.021 2.912 0.919 9 6 "[ ** -* *+]" 1
130 1 18 VAL H 1 19 LYS H 3.315 2.790 3.840 2.503 1.851 4.309 0.939 7 5 "[ * *-+* ]" 1
131 1 18 VAL H 1 19 LYS HA 3.910 3.130 4.690 4.215 3.825 4.892 0.202 4 0 "[ . ]" 1
132 1 18 VAL H 1 78 GLY QA 3.260 2.610 3.910 3.859 3.267 4.911 1.001 3 1 "[ + . ]" 1
133 1 18 VAL HA 1 18 VAL QG 3.550 2.890 4.260 2.200 2.091 2.307 0.799 1 9 [+-*******] 1
134 1 18 VAL HB 1 20 HIS H 3.700 2.960 4.440 5.190 4.142 6.050 1.610 2 6 "[*+ -.*** ]" 1
135 1 18 VAL HB 1 21 PHE H 4.090 3.270 4.910 4.416 3.440 5.330 0.420 1 0 "[ . ]" 1
136 1 18 VAL QG 1 19 LYS H 3.735 2.990 4.480 3.386 2.903 3.699 0.087 4 0 "[ . ]" 1
137 1 18 VAL QG 1 20 HIS H 4.230 3.460 5.000 4.326 3.392 5.133 0.133 2 0 "[ . ]" 1
138 1 18 VAL QG 1 21 PHE H 4.100 3.280 4.920 3.754 2.375 4.617 0.905 4 1 "[ +. ]" 1
139 1 18 VAL QG 1 55 PHE QD 4.175 3.480 5.010 5.154 3.998 6.129 1.119 8 2 "[ .- + ]" 1
140 1 18 VAL QG 1 80 LEU HA 4.505 3.600 5.410 3.749 3.308 4.131 0.292 2 0 "[ . ]" 1
141 1 19 LYS H 1 19 LYS HA 3.355 2.680 4.030 2.858 2.704 2.995 . 0 0 "[ . ]" 1
142 1 19 LYS H 1 21 PHE QD 4.290 3.580 5.000 4.380 2.235 5.673 1.345 4 2 "[ +- ]" 1
143 1 19 LYS H 1 21 PHE QE 4.260 3.520 5.000 4.698 2.187 6.423 1.423 7 4 "[ *.-+* ]" 1
144 1 19 LYS QG 1 20 HIS H 3.900 3.120 4.680 3.590 2.554 4.558 0.566 2 1 "[ + . ]" 1
145 1 20 HIS H 1 20 HIS HA 3.465 2.770 4.160 2.803 2.304 2.986 0.466 4 0 "[ . ]" 1
146 1 20 HIS H 1 20 HIS QB 3.610 3.070 4.330 2.742 2.375 3.508 0.695 7 4 "[- * . + *]" 1
147 1 20 HIS H 1 21 PHE H 3.540 2.920 4.160 2.393 1.612 2.849 1.308 5 3 "[* + -]" 1
148 1 20 HIS H 1 21 PHE QD 4.460 3.920 5.000 3.763 2.287 4.930 1.633 3 4 "[* + - *]" 1
149 1 20 HIS H 1 78 GLY QA 3.875 3.100 4.650 4.652 3.864 4.908 0.258 3 0 "[ . ]" 1
150 1 20 HIS HA 1 20 HIS HD2 3.540 2.830 4.250 4.314 2.722 4.925 0.675 6 4 "[ * -.+ * ]" 1
151 1 20 HIS HA 1 21 PHE H 3.715 2.970 4.460 3.238 2.669 3.525 0.301 4 0 "[ . ]" 1
152 1 20 HIS HA 1 21 PHE QD 4.100 3.280 4.920 4.867 4.272 5.461 0.541 6 2 "[ .+ - ]" 1
153 1 20 HIS QB 1 20 HIS HD2 4.125 3.300 4.950 2.713 2.641 3.000 0.659 6 7 "[ * **+**-]" 1
154 1 20 HIS QB 1 21 PHE QB 4.195 3.360 5.030 4.663 3.682 5.375 0.345 6 0 "[ . ]" 1
155 1 20 HIS QB 1 21 PHE QD 4.290 3.430 5.150 3.503 2.010 4.675 1.420 5 2 "[- + ]" 1
156 1 20 HIS QB 1 41 HIS QB 3.840 3.460 4.610 3.628 2.814 5.388 0.778 3 2 "[ + . - ]" 1
157 1 20 HIS QB 1 41 HIS HD2 4.535 3.630 5.440 4.088 2.041 5.134 1.589 5 2 "[ + - ]" 1
158 1 21 PHE H 1 21 PHE QB 3.645 2.990 4.300 2.645 2.379 3.275 0.611 8 4 "[ * .*-+ ]" 1
159 1 21 PHE H 1 21 PHE QD 4.180 3.360 5.000 2.862 1.967 3.307 1.393 3 3 "[- + . *]" 1
160 1 21 PHE H 1 21 PHE QE 4.190 3.380 5.000 4.559 4.202 5.040 0.040 2 0 "[ . ]" 1
161 1 21 PHE H 1 22 SER H 4.120 3.280 4.920 4.542 4.389 4.674 . 0 0 "[ . ]" 1
162 1 21 PHE QB 1 22 SER H 3.785 3.030 4.540 2.442 2.019 2.808 1.011 5 4 "[* - + *]" 1
163 1 21 PHE QD 1 22 SER H 4.350 3.700 5.000 3.644 2.933 3.877 0.767 1 1 "[+ . ]" 1
164 1 21 PHE QD 1 23 PRO QB 4.510 3.610 5.410 7.711 6.367 8.359 2.949 9 9 [****-***+] 1
165 1 21 PHE QD 1 26 LEU HA 4.840 3.870 5.810 4.598 3.569 5.659 0.301 1 0 "[ . ]" 1
166 1 21 PHE QD 1 41 HIS HA 4.100 3.280 4.920 3.692 3.301 4.087 . 0 0 "[ . ]" 1
167 1 21 PHE QE 1 41 HIS HA 4.235 3.390 5.080 4.725 3.897 5.218 0.138 1 0 "[ . ]" 1
168 1 21 PHE QE 1 53 ARG H 4.450 3.900 5.000 5.301 3.982 6.635 1.635 5 3 "[* +- ]" 1
169 1 21 PHE HZ 1 39 GLY QA 4.005 3.200 4.810 4.644 2.990 6.377 1.567 4 1 "[ +. ]" 1
170 1 22 SER H 1 22 SER QB 3.365 2.690 4.040 2.410 2.261 2.543 0.429 5 0 "[ . ]" 1
171 1 22 SER H 1 25 GLU H 3.850 3.100 4.600 3.594 3.247 4.169 . 0 0 "[ . ]" 1
172 1 22 SER H 1 26 LEU H 3.880 3.100 4.660 4.317 3.864 4.870 0.210 4 0 "[ . ]" 1
173 1 22 SER H 1 26 LEU QD 4.470 3.940 5.000 3.972 2.734 5.231 1.206 9 2 "[ - . +]" 1
174 1 22 SER HA 1 22 SER QB 2.875 2.300 3.360 2.384 2.357 2.413 . 0 0 "[ . ]" 1
175 1 22 SER HA 1 23 PRO QB 3.585 2.870 4.300 4.683 4.558 4.788 0.488 1 0 "[ . ]" 1
176 1 22 SER QB 1 24 GLU H 3.350 2.680 4.020 2.388 2.080 2.537 0.600 5 1 "[ + ]" 1
177 1 22 SER QB 1 24 GLU QB 3.140 2.510 3.770 2.952 2.768 3.110 . 0 0 "[ . ]" 1
178 1 22 SER QB 1 24 GLU QG 3.455 2.760 4.150 3.764 3.358 4.081 . 0 0 "[ . ]" 1
179 1 22 SER QB 1 25 GLU H 3.735 2.990 4.480 2.599 2.248 3.100 0.742 9 4 "[ **- +]" 1
180 1 22 SER QB 1 26 LEU H 4.005 3.200 4.290 4.165 3.917 4.487 0.197 1 0 "[ . ]" 1
181 1 22 SER QB 1 26 LEU QD 4.350 3.480 5.220 4.713 4.059 5.259 0.039 1 0 "[ . ]" 1
182 1 23 PRO QB 1 26 LEU QD 3.550 2.840 4.260 3.992 3.001 4.721 0.461 2 0 "[ . ]" 1
183 1 23 PRO QD 1 25 GLU H 3.965 3.170 4.760 4.264 4.124 4.641 . 0 0 "[ . ]" 1
184 1 24 GLU H 1 24 GLU HA 3.060 2.450 3.670 2.929 2.858 2.982 . 0 0 "[ . ]" 1
185 1 24 GLU H 1 24 GLU QB 2.765 2.210 3.320 2.374 2.362 2.405 . 0 0 "[ . ]" 1
186 1 24 GLU H 1 24 GLU QG 2.815 2.250 3.380 2.478 2.299 2.648 . 0 0 "[ . ]" 1
187 1 24 GLU H 1 25 GLU H 3.285 2.590 3.890 2.388 2.139 2.660 0.451 5 0 "[ . ]" 1
188 1 24 GLU H 1 25 GLU QB 2.940 2.350 3.530 4.406 3.961 4.814 1.284 1 8 [+***.***-] 1
189 1 24 GLU H 1 25 GLU QG 3.790 3.030 4.550 4.418 4.027 5.890 1.340 5 1 "[ + ]" 1
190 1 24 GLU H 1 26 LEU H 3.645 2.750 4.120 3.720 3.631 3.829 . 0 0 "[ . ]" 1
191 1 24 GLU HA 1 25 GLU H 3.600 2.880 4.320 3.466 3.416 3.537 . 0 0 "[ . ]" 1
192 1 24 GLU HA 1 26 LEU H 3.075 2.460 3.690 4.072 3.842 4.368 0.678 2 1 "[ + . ]" 1
193 1 24 GLU QB 1 25 GLU H 3.480 2.780 4.180 2.973 2.709 3.110 0.071 1 0 "[ . ]" 1
194 1 24 GLU QB 1 26 LEU H 3.510 2.810 4.210 4.592 4.357 4.782 0.572 5 1 "[ + ]" 1
195 1 24 GLU QG 1 25 GLU H 3.290 2.630 3.950 4.257 4.196 4.300 0.350 7 0 "[ . ]" 1
196 1 25 GLU H 1 25 GLU HA 3.240 2.590 3.890 2.988 2.929 3.015 . 0 0 "[ . ]" 1
197 1 25 GLU H 1 26 LEU H 2.905 2.180 3.270 2.119 1.884 2.369 0.296 2 0 "[ . ]" 1
198 1 25 GLU H 1 26 LEU QB 3.840 3.070 4.610 4.003 3.588 4.763 0.153 5 0 "[ . ]" 1
199 1 25 GLU H 1 26 LEU QD 4.500 4.000 5.000 4.479 3.622 5.086 0.378 3 0 "[ . ]" 1
200 1 25 GLU QG 1 26 LEU H 3.210 2.570 3.850 4.294 3.841 4.377 0.527 9 4 "[ * -. * +]" 1
201 1 25 GLU QG 1 40 LYS H 4.000 3.200 4.800 5.132 3.373 5.684 0.884 1 4 "[+ .*- *]" 1
202 1 26 LEU H 1 26 LEU HA 3.260 2.610 3.910 2.953 2.887 2.979 . 0 0 "[ . ]" 1
203 1 26 LEU H 1 26 LEU QB 2.760 2.210 3.310 2.416 2.150 2.992 0.060 3 0 "[ . ]" 1
204 1 26 LEU H 1 26 LEU QD 3.770 3.020 4.130 3.419 2.680 3.854 0.340 3 0 "[ . ]" 1
205 1 26 LEU H 1 26 LEU HG 2.950 2.360 3.540 3.541 1.849 4.556 1.016 3 6 "[**+ -* * ]" 1
206 1 26 LEU H 1 27 LYS H 3.475 2.780 4.170 4.437 4.167 4.615 0.445 5 0 "[ . ]" 1
207 1 26 LEU HA 1 26 LEU QD 3.115 2.490 3.740 2.389 1.867 3.394 0.623 3 1 "[ + . ]" 1
208 1 26 LEU HA 1 27 LYS H 3.090 2.470 3.710 2.173 2.096 2.256 0.374 3 0 "[ . ]" 1
209 1 26 LEU HA 1 39 GLY QA 3.350 2.810 3.890 2.074 1.968 2.230 0.842 4 9 [**-+*****] 1
210 1 26 LEU QD 1 28 VAL HB 2.910 2.330 3.490 4.392 3.636 5.551 2.061 2 6 "[*+**. - *]" 1
211 1 26 LEU QD 1 39 GLY QA 4.335 3.630 5.040 2.375 1.955 3.575 1.675 3 7 "[*-+*.*** ]" 1
212 1 26 LEU QD 1 40 LYS H 4.185 3.640 5.000 3.285 2.530 4.395 1.110 4 3 "[ -+. * ]" 1
213 1 26 LEU HG 1 27 LYS H 3.625 2.900 4.350 4.276 3.449 5.046 0.696 7 2 "[ -. + ]" 1
214 1 27 LYS H 1 27 LYS QD 3.680 2.940 4.420 4.333 3.977 5.037 0.617 9 1 "[ . +]" 1
215 1 27 LYS H 1 27 LYS QG 3.550 2.840 4.260 3.049 2.526 4.222 0.314 1 0 "[ . ]" 1
216 1 27 LYS HA 1 27 LYS QB 2.665 2.130 3.200 2.372 2.359 2.390 . 0 0 "[ . ]" 1
217 1 27 LYS HA 1 28 VAL H 2.765 2.210 3.320 2.354 2.111 2.754 0.099 9 0 "[ . ]" 1
218 1 27 LYS QB 1 27 LYS QG 2.650 2.120 3.180 2.094 2.088 2.101 0.032 3 0 "[ . ]" 1
219 1 27 LYS QB 1 38 HIS QB 3.350 2.680 3.530 2.375 2.035 3.799 0.645 3 6 "[* +-.*** ]" 1
220 1 28 VAL H 1 28 VAL HB 3.025 2.420 3.630 2.597 2.433 3.331 . 0 0 "[ . ]" 1
221 1 28 VAL H 1 28 VAL QG 3.700 2.960 4.280 2.224 1.970 2.779 0.990 7 7 "[* ****+ -]" 1
222 1 28 VAL HA 1 29 LYS H 2.980 2.380 3.580 2.148 2.121 2.195 0.259 7 0 "[ . ]" 1
223 1 28 VAL HB 1 29 LYS H 3.190 2.550 3.830 4.345 4.195 4.458 0.628 1 7 "[+** **- *]" 1
224 1 29 LYS H 1 29 LYS QD 3.750 2.500 3.750 4.505 4.261 4.910 1.160 4 9 [**-+*****] 1
225 1 29 LYS H 1 29 LYS QG 3.245 2.600 3.890 3.412 2.961 4.157 0.267 4 0 "[ . ]" 1
226 1 29 LYS H 1 30 VAL H 3.680 2.820 4.230 4.466 4.279 4.530 0.300 3 0 "[ . ]" 1
227 1 29 LYS H 1 36 GLU H 3.675 2.940 4.410 4.471 4.152 4.797 0.387 9 0 "[ . ]" 1
228 1 29 LYS H 1 37 VAL HA 3.360 2.690 4.030 2.579 2.216 3.287 0.474 5 0 "[ . ]" 1
229 1 29 LYS H 1 37 VAL QG 3.445 2.810 4.130 3.535 3.102 3.959 . 0 0 "[ . ]" 1
230 1 29 LYS H 1 38 HIS H 3.925 3.140 4.710 3.017 2.614 3.657 0.526 7 1 "[ . + ]" 1
231 1 29 LYS HA 1 30 VAL H 2.670 2.140 3.200 2.348 2.128 2.498 0.012 8 0 "[ . ]" 1
232 1 29 LYS QB 1 38 HIS QB 3.350 2.750 4.020 3.915 3.416 4.804 0.784 2 1 "[ + . ]" 1
233 1 29 LYS QG 1 30 VAL H 3.060 2.450 3.670 3.258 2.037 3.831 0.413 4 0 "[ . ]" 1
234 1 30 VAL H 1 30 VAL HA 3.615 2.890 4.340 2.969 2.900 2.988 . 0 0 "[ . ]" 1
235 1 30 VAL H 1 30 VAL QG 3.050 2.440 3.660 2.164 1.975 2.737 0.465 5 0 "[ . ]" 1
236 1 30 VAL HA 1 31 LEU H 2.775 2.220 3.330 2.291 2.122 2.382 0.098 2 0 "[ . ]" 1
237 1 30 VAL HA 1 35 ILE HA 3.075 2.460 3.690 2.074 1.879 2.393 0.581 5 2 "[ - + ]" 1
238 1 30 VAL HA 1 36 GLU H 3.890 3.110 4.670 2.239 1.948 3.001 1.162 4 8 "[***+*** -]" 1
239 1 30 VAL HB 1 31 LEU H 3.400 2.720 4.080 2.932 2.372 4.455 0.375 8 0 "[ . ]" 1
240 1 30 VAL HB 1 34 VAL H 2.740 2.190 3.290 4.913 3.715 7.141 3.851 8 8 "[-* ****+*]" 1
241 1 30 VAL QG 1 36 GLU H 3.435 2.750 4.120 3.606 3.376 4.120 . 0 0 "[ . ]" 1
242 1 31 LEU H 1 31 LEU HA 2.900 2.320 3.480 2.967 2.916 3.007 . 0 0 "[ . ]" 1
243 1 31 LEU H 1 31 LEU QD 2.925 2.340 3.510 3.880 3.592 4.048 0.538 9 5 "[ *-** +]" 1
244 1 31 LEU H 1 32 GLY H 4.075 3.260 4.890 3.382 3.050 3.989 0.210 9 0 "[ . ]" 1
245 1 31 LEU H 1 34 VAL H 3.520 2.730 4.100 3.309 2.826 4.208 0.108 8 0 "[ . ]" 1
246 1 31 LEU H 1 36 GLU H 3.665 2.930 4.400 3.010 1.853 3.784 1.077 8 2 "[ - . + ]" 1
247 1 31 LEU H 1 61 ILE MD 4.195 3.390 5.000 4.672 4.192 5.051 0.051 3 0 "[ . ]" 1
248 1 31 LEU HA 1 34 VAL HB 3.485 2.790 4.180 6.266 4.073 6.977 2.797 5 7 "[ ***+ **-]" 1
249 1 31 LEU QB 1 32 GLY QA 3.270 2.880 3.920 4.427 4.107 4.602 0.682 2 7 "[ + *****-]" 1
250 1 31 LEU QB 1 34 VAL HB 3.195 2.560 3.830 3.765 1.922 4.341 0.638 1 4 "[+ *-.* ]" 1
251 1 31 LEU QD 1 32 GLY H 3.250 2.600 3.900 3.797 3.481 4.173 0.273 3 0 "[ . ]" 1
252 1 31 LEU QD 1 32 GLY QA 3.790 3.320 4.550 4.193 3.834 4.809 0.259 3 0 "[ . ]" 1
253 1 31 LEU HG 1 32 GLY H 3.330 2.660 4.000 4.542 4.206 5.123 1.123 1 2 "[+ - . ]" 1
254 1 32 GLY H 1 32 GLY QA 2.775 2.220 3.330 2.250 2.224 2.278 . 0 0 "[ . ]" 1
255 1 32 GLY H 1 33 ASP H 3.145 2.510 3.770 4.331 4.147 4.406 0.636 8 8 "[** -***+*]" 1
256 1 32 GLY H 1 34 VAL H 3.810 3.050 4.570 4.073 3.720 4.280 . 0 0 "[ . ]" 1
257 1 32 GLY QA 1 33 ASP H 2.540 2.120 3.050 2.158 2.139 2.223 . 0 0 "[ . ]" 1
258 1 32 GLY QA 1 34 VAL H 3.410 2.730 3.850 3.501 3.279 3.637 . 0 0 "[ . ]" 1
259 1 33 ASP H 1 33 ASP HA 2.825 2.260 3.390 2.976 2.914 3.013 . 0 0 "[ . ]" 1
260 1 33 ASP H 1 33 ASP QB 3.235 2.660 3.680 2.627 2.345 2.964 0.315 5 0 "[ . ]" 1
261 1 33 ASP H 1 34 VAL H 2.585 2.090 3.080 2.498 2.080 2.710 0.010 6 0 "[ . ]" 1
262 1 33 ASP H 1 60 ARG QG 3.355 2.680 4.030 5.619 4.109 6.543 2.513 3 8 "[-*+** ***]" 1
263 1 33 ASP H 1 61 ILE MD 4.175 3.350 5.000 4.924 4.485 5.253 0.253 4 0 "[ . ]" 1
264 1 33 ASP HA 1 33 ASP QB 2.640 2.110 3.170 2.273 2.173 2.402 . 0 0 "[ . ]" 1
265 1 33 ASP HA 1 34 VAL H 2.925 2.340 3.510 3.179 2.955 3.414 . 0 0 "[ . ]" 1
266 1 33 ASP HA 1 61 ILE H 3.275 2.620 3.930 4.007 3.688 4.443 0.513 3 1 "[ + . ]" 1
267 1 33 ASP QB 1 34 VAL H 3.545 2.840 4.250 3.686 3.116 4.051 . 0 0 "[ . ]" 1
268 1 34 VAL H 1 35 ILE H 3.740 3.120 4.360 4.502 4.453 4.648 0.288 6 0 "[ . ]" 1
269 1 34 VAL H 1 61 ILE MD 3.750 3.000 4.500 3.786 3.099 4.675 0.175 6 0 "[ . ]" 1
270 1 34 VAL HA 1 34 VAL HB 3.185 2.570 3.800 2.558 2.422 2.984 0.148 3 0 "[ . ]" 1
271 1 34 VAL HA 1 34 VAL QG 3.160 2.530 3.790 2.280 2.112 2.366 0.418 1 0 "[ . ]" 1
272 1 34 VAL HA 1 35 ILE MD 4.415 3.530 5.300 4.742 4.460 5.016 . 0 0 "[ . ]" 1
273 1 34 VAL HA 1 60 ARG HA 3.025 2.440 3.610 2.002 1.825 2.260 0.615 5 4 "[ -+* * ]" 1
274 1 34 VAL HA 1 60 ARG QD 4.040 3.230 4.850 4.013 2.935 4.888 0.295 1 0 "[ . ]" 1
275 1 34 VAL HA 1 61 ILE HB 3.375 2.700 4.050 4.420 3.820 5.205 1.155 6 3 "[*- .+ ]" 1
276 1 34 VAL HA 1 61 ILE MD 4.130 3.220 4.840 3.847 3.459 4.673 . 0 0 "[ . ]" 1
277 1 34 VAL HA 1 61 ILE QG 3.615 2.890 4.340 2.968 2.456 3.954 0.434 8 0 "[ . ]" 1
278 1 34 VAL QG 1 58 LYS HA 3.740 2.990 4.490 3.383 2.240 4.457 0.750 6 1 "[ .+ ]" 1
279 1 34 VAL QG 1 60 ARG QB 4.240 3.390 5.090 2.856 2.224 3.692 1.166 5 6 "[ **+* *-]" 1
280 1 35 ILE H 1 35 ILE HB 3.570 2.860 4.280 2.666 2.592 2.709 0.268 2 0 "[ . ]" 1
281 1 35 ILE H 1 35 ILE MD 3.300 2.640 3.960 3.944 3.838 3.980 0.020 7 0 "[ . ]" 1
282 1 35 ILE H 1 59 TYR H 3.915 3.280 4.550 2.942 2.473 3.492 0.807 2 3 "[ + . *-]" 1
283 1 35 ILE H 1 59 TYR HA 3.160 2.530 3.790 4.202 3.969 4.493 0.703 1 3 "[+ *.- ]" 1
284 1 35 ILE H 1 60 ARG QD 3.935 3.150 4.720 5.137 3.461 6.153 1.433 5 5 "[ **+- * ]" 1
285 1 35 ILE H 1 61 ILE H 4.000 3.200 4.800 4.313 4.041 4.776 . 0 0 "[ . ]" 1
286 1 35 ILE H 1 61 ILE MD 4.220 3.440 5.000 4.466 4.153 4.907 . 0 0 "[ . ]" 1
287 1 35 ILE HB 1 35 ILE MD 3.415 2.730 4.100 2.367 2.267 2.431 0.463 8 0 "[ . ]" 1
288 1 35 ILE HB 1 36 GLU H 3.615 2.890 4.340 4.473 4.442 4.504 0.164 6 0 "[ . ]" 1
289 1 35 ILE HB 1 59 TYR H 3.675 2.940 4.410 3.073 2.852 3.228 0.088 7 0 "[ . ]" 1
290 1 35 ILE MD 1 59 TYR QB 3.755 3.000 4.510 3.204 2.705 4.681 0.295 7 0 "[ . ]" 1
291 1 35 ILE MD 1 59 TYR QD 4.775 3.820 5.730 3.396 2.418 4.836 1.402 2 5 "[-+**. * ]" 1
292 1 35 ILE MD 1 61 ILE H 4.215 3.430 5.000 4.636 4.115 4.955 . 0 0 "[ . ]" 1
293 1 35 ILE MG 1 36 GLU HA 3.625 2.900 4.350 4.293 3.977 4.537 0.187 9 0 "[ . ]" 1
294 1 35 ILE MG 1 59 TYR QD 4.115 3.290 4.940 3.974 3.285 4.530 0.005 5 0 "[ . ]" 1
295 1 35 ILE MG 1 59 TYR QE 4.610 3.690 5.530 5.116 2.679 5.999 1.011 1 1 "[+ . ]" 1
296 1 36 GLU H 1 37 VAL H 3.930 3.140 4.720 4.192 4.015 4.607 . 0 0 "[ . ]" 1
297 1 36 GLU HA 1 37 VAL H 3.400 2.720 4.080 2.239 2.130 2.364 0.590 8 4 "[ * .- +*]" 1
298 1 36 GLU HA 1 58 LYS HA 3.370 2.700 4.040 2.127 1.952 2.472 0.748 1 7 "[+ **-** *]" 1
299 1 36 GLU QB 1 37 VAL QG 3.550 2.840 4.260 4.689 4.480 4.809 0.549 5 1 "[ + ]" 1
300 1 36 GLU QB 1 58 LYS HA 3.385 2.710 4.060 3.504 2.958 4.120 0.060 4 0 "[ . ]" 1
301 1 36 GLU QB 1 58 LYS QG 3.535 2.830 4.240 2.626 2.006 3.959 0.824 9 5 "[** -* +]" 1
302 1 37 VAL H 1 37 VAL HB 3.190 2.550 3.830 2.528 2.401 2.800 0.149 5 0 "[ . ]" 1
303 1 37 VAL H 1 37 VAL QG 3.985 3.190 4.780 2.257 2.027 2.686 1.163 4 9 [***+***-*] 1
304 1 37 VAL H 1 38 HIS H 3.820 3.060 4.580 4.094 3.747 4.420 . 0 0 "[ . ]" 1
305 1 37 VAL H 1 57 ARG H 4.075 3.260 4.890 3.547 2.694 4.098 0.566 8 1 "[ . + ]" 1
306 1 37 VAL HA 1 38 HIS H 3.075 2.460 3.690 2.261 2.117 2.399 0.343 2 0 "[ . ]" 1
307 1 37 VAL HB 1 38 HIS H 3.760 3.010 4.510 4.444 4.285 4.503 . 0 0 "[ . ]" 1
308 1 37 VAL QG 1 38 HIS H 4.170 3.340 4.400 3.288 2.781 3.515 0.559 2 1 "[ + . ]" 1
309 1 37 VAL QG 1 39 GLY H 4.445 3.890 5.000 3.526 2.704 4.888 1.186 5 5 "[- * +* * ]" 1
310 1 37 VAL QG 1 55 PHE QB 3.310 2.650 3.970 4.460 3.351 5.453 1.483 9 4 "[ ** - +]" 1
311 1 37 VAL QG 1 57 ARG H 4.245 3.490 5.000 3.790 3.410 4.431 0.080 8 0 "[ . ]" 1
312 1 38 HIS H 1 38 HIS QB 3.490 2.860 4.190 2.383 2.239 3.137 0.621 1 8 "[+ *****-*]" 1
313 1 38 HIS HA 1 38 HIS HD2 3.225 2.580 3.870 3.169 2.352 3.991 0.228 9 0 "[ . ]" 1
314 1 38 HIS HA 1 39 GLY H 3.930 3.140 4.720 2.352 2.130 2.509 1.010 2 9 [*+*****-*] 1
315 1 38 HIS HA 1 56 HIS HA 3.135 2.510 3.760 2.249 1.967 2.722 0.543 9 2 "[ - +]" 1
316 1 38 HIS HA 1 56 HIS QB 3.250 2.600 3.900 3.875 2.691 4.681 0.781 3 2 "[- + . ]" 1
317 1 38 HIS HA 1 56 HIS HD2 3.890 3.110 4.670 4.559 3.583 5.476 0.806 9 1 "[ . +]" 1
318 1 38 HIS HA 1 57 ARG H 3.450 2.760 4.140 3.462 2.769 3.890 . 0 0 "[ . ]" 1
319 1 38 HIS QB 1 38 HIS HD2 3.970 3.180 4.760 3.004 2.623 3.322 0.557 1 3 "[+ *. - ]" 1
320 1 38 HIS QB 1 39 GLY H 3.850 3.240 4.620 3.836 3.132 4.072 0.108 2 0 "[ . ]" 1
321 1 38 HIS QB 1 56 HIS HA 3.775 3.210 4.530 3.152 2.200 3.645 1.010 2 1 "[ + . ]" 1
322 1 38 HIS HD2 1 56 HIS HA 3.385 2.710 4.060 3.895 3.197 4.979 0.919 2 1 "[ + . ]" 1
323 1 39 GLY H 1 55 PHE H 3.860 3.090 4.630 3.509 2.734 4.226 0.356 2 0 "[ . ]" 1
324 1 39 GLY H 1 55 PHE QE 4.210 3.420 5.000 4.805 2.520 6.270 1.270 6 5 "[-* *+ * ]" 1
325 1 39 GLY QA 1 40 LYS H 3.185 2.550 3.820 2.253 2.193 2.280 0.357 3 0 "[ . ]" 1
326 1 39 GLY QA 1 40 LYS QB 4.125 3.300 4.950 3.845 3.586 3.953 . 0 0 "[ . ]" 1
327 1 39 GLY QA 1 55 PHE H 3.785 3.030 4.540 3.982 3.635 4.237 . 0 0 "[ . ]" 1
328 1 40 LYS H 1 40 LYS HA 3.450 2.760 4.140 2.848 2.790 2.953 . 0 0 "[ . ]" 1
329 1 40 LYS H 1 40 LYS QG 3.900 3.120 4.680 3.307 2.647 4.282 0.473 4 0 "[ . ]" 1
330 1 40 LYS H 1 41 HIS H 3.850 3.080 4.620 4.169 3.898 4.377 . 0 0 "[ . ]" 1
331 1 40 LYS H 1 55 PHE QD 4.215 3.430 5.000 4.448 3.295 5.509 0.509 9 1 "[ . +]" 1
332 1 40 LYS H 1 55 PHE QE 4.220 3.440 5.000 4.909 3.949 6.899 1.899 7 1 "[ . + ]" 1
333 1 40 LYS HA 1 40 LYS QD 2.985 2.390 3.580 4.163 3.950 4.269 0.689 5 6 "[ *+-***]" 1
334 1 40 LYS HA 1 54 GLU HA 3.390 2.720 4.060 2.443 1.895 3.668 0.825 3 3 "[* + - ]" 1
335 1 40 LYS HA 1 55 PHE H 3.880 3.100 4.660 3.225 2.817 3.589 0.283 5 0 "[ . ]" 1
336 1 40 LYS HA 1 55 PHE QD 4.270 3.420 5.120 3.439 2.213 5.200 1.207 6 3 "[ - .+ * ]" 1
337 1 40 LYS QD 1 54 GLU HA 3.155 2.520 3.790 3.678 2.993 3.944 0.154 9 0 "[ . ]" 1
338 1 40 LYS QD 1 55 PHE H 4.150 3.320 4.980 4.828 4.430 5.185 0.205 4 0 "[ . ]" 1
339 1 40 LYS QG 1 53 ARG H 3.900 3.120 4.680 5.274 4.193 6.404 1.724 9 6 "[ ****-+]" 1
340 1 40 LYS QG 1 54 GLU HA 3.375 2.700 4.050 3.591 2.566 4.139 0.134 2 0 "[ . ]" 1
341 1 41 HIS H 1 53 ARG H 3.895 3.110 4.670 3.041 2.720 3.374 0.390 1 0 "[ . ]" 1
342 1 41 HIS H 1 53 ARG QB 3.700 2.960 4.440 3.344 2.238 4.389 0.722 9 1 "[ . +]" 1
343 1 41 HIS HA 1 41 HIS HD2 4.135 3.310 4.960 3.267 2.384 4.534 0.926 1 5 "[+*- .* *]" 1
344 1 41 HIS HA 1 42 GLU H 3.225 2.580 3.870 2.172 2.109 2.332 0.471 2 0 "[ . ]" 1
345 1 41 HIS QB 1 42 GLU H 3.690 2.950 4.430 3.628 2.582 3.968 0.368 3 0 "[ . ]" 1
346 1 41 HIS QB 1 51 ILE MD 4.090 3.270 4.910 4.572 2.916 6.024 1.114 4 1 "[ +. ]" 1
347 1 41 HIS HE1 1 51 ILE MD 3.610 2.890 4.330 5.732 2.787 7.182 2.852 5 7 "[** *+* -*]" 1
348 1 41 HIS HE1 1 52 SER HA 3.510 2.810 4.210 6.898 5.509 8.109 3.899 3 9 [**+***-**] 1
349 1 42 GLU H 1 42 GLU HA 3.525 2.820 4.230 2.937 2.863 3.002 . 0 0 "[ . ]" 1
350 1 42 GLU H 1 42 GLU QB 3.265 2.610 3.920 2.478 2.281 2.857 0.329 8 0 "[ . ]" 1
351 1 42 GLU H 1 42 GLU QG 3.370 2.580 3.880 2.883 2.304 4.186 0.306 3 0 "[ . ]" 1
352 1 42 GLU H 1 44 ARG QD 3.850 3.080 4.620 5.506 4.132 6.036 1.416 9 7 "[** -** *+]" 1
353 1 42 GLU HA 1 42 GLU QG 2.450 . 2.940 2.416 2.367 2.468 . 0 0 "[ . ]" 1
354 1 42 GLU HA 1 43 GLU H 3.050 2.440 3.660 2.460 2.127 3.578 0.313 3 0 "[ . ]" 1
355 1 42 GLU HA 1 53 ARG H 3.285 2.630 3.940 3.819 3.234 4.221 0.281 3 0 "[ . ]" 1
356 1 42 GLU QB 1 52 SER QB 3.140 2.590 3.770 3.547 2.997 3.817 0.047 1 0 "[ . ]" 1
357 1 42 GLU QG 1 43 GLU H 3.455 2.570 3.860 3.574 2.378 4.023 0.192 8 0 "[ . ]" 1
358 1 42 GLU QG 1 52 SER QB 3.625 2.900 4.350 3.325 2.068 4.177 0.832 8 1 "[ . + ]" 1
359 1 43 GLU H 1 43 GLU QB 3.275 2.620 3.930 3.174 2.395 3.414 0.225 2 0 "[ . ]" 1
360 1 43 GLU H 1 52 SER QB 3.675 3.120 4.410 2.814 2.072 4.936 1.048 7 7 "[ ***.*+*-]" 1
361 1 43 GLU QB 1 51 ILE MD 4.575 3.660 5.490 7.247 5.875 7.785 2.295 5 7 "[**- +** *]" 1
362 1 44 ARG H 1 44 ARG QB 3.265 2.610 3.920 2.328 2.245 2.441 0.365 5 0 "[ . ]" 1
363 1 44 ARG H 1 44 ARG QD 3.850 3.080 4.620 4.477 4.310 4.831 0.211 4 0 "[ . ]" 1
364 1 44 ARG H 1 44 ARG QG 3.490 2.900 4.080 4.043 3.985 4.090 0.010 3 0 "[ . ]" 1
365 1 44 ARG H 1 45 GLN H 3.235 2.590 3.880 4.036 3.658 4.336 0.456 9 0 "[ . ]" 1
366 1 44 ARG H 1 52 SER QB 3.175 2.540 3.810 4.094 3.562 4.480 0.670 3 2 "[ -+ . ]" 1
367 1 44 ARG HA 1 44 ARG QB 2.670 2.200 3.140 2.339 2.298 2.370 . 0 0 "[ . ]" 1
368 1 44 ARG HA 1 44 ARG QG 3.190 2.550 3.830 2.478 2.393 2.570 0.157 5 0 "[ . ]" 1
369 1 44 ARG HA 1 50 PHE QD 3.935 3.150 4.720 4.320 3.391 4.988 0.268 8 0 "[ . ]" 1
370 1 44 ARG HA 1 50 PHE QE 4.350 3.480 5.220 5.851 4.518 6.919 1.699 8 5 "[ * -**+ ]" 1
371 1 44 ARG QB 1 45 GLN H 2.990 2.390 3.590 3.992 3.908 4.039 0.449 4 0 "[ . ]" 1
372 1 44 ARG QB 1 46 ASP H 3.305 2.640 3.890 5.424 5.044 5.910 2.020 1 9 [+**-*****] 1
373 1 44 ARG QB 1 50 PHE HA 3.715 2.970 4.460 4.333 3.812 4.637 0.177 5 0 "[ . ]" 1
374 1 44 ARG QB 1 50 PHE QD 3.875 3.390 4.650 4.323 3.930 4.689 0.039 3 0 "[ . ]" 1
375 1 44 ARG QB 1 51 ILE MG 3.735 2.990 4.480 3.991 3.455 4.209 . 0 0 "[ . ]" 1
376 1 44 ARG QD 1 46 ASP H 3.815 3.050 4.580 6.288 4.820 6.919 2.339 7 8 "[** ***+-*]" 1
377 1 44 ARG QD 1 51 ILE HB 3.035 2.430 3.640 4.645 3.646 6.330 2.690 7 8 "[-** **+**]" 1
378 1 44 ARG QD 1 51 ILE MD 4.265 3.410 4.910 2.568 2.065 4.199 1.345 9 7 "[-** ** *+]" 1
379 1 44 ARG QD 1 51 ILE MG 3.805 3.040 4.570 4.475 3.834 6.043 1.473 7 1 "[ . + ]" 1
380 1 44 ARG QG 1 45 GLN H 3.100 2.140 3.210 3.610 3.218 3.916 0.706 4 4 "[ - +* * ]" 1
381 1 44 ARG QG 1 51 ILE MD 3.310 2.650 3.970 3.138 2.522 3.759 0.128 7 0 "[ . ]" 1
382 1 45 GLN H 1 46 ASP H 4.035 3.230 4.840 4.532 4.409 4.643 . 0 0 "[ . ]" 1
383 1 45 GLN HA 1 45 GLN QB 3.075 2.460 3.690 2.336 2.306 2.381 0.154 2 0 "[ . ]" 1
384 1 45 GLN HA 1 45 GLN QG 2.510 2.010 3.010 2.837 2.370 2.996 . 0 0 "[ . ]" 1
385 1 45 GLN HA 1 46 ASP H 3.410 2.730 4.090 2.136 2.099 2.174 0.631 8 9 [-******+*] 1
386 1 45 GLN HA 1 50 PHE H 3.315 2.650 3.980 4.390 4.063 4.865 0.885 9 2 "[ .- +]" 1
387 1 45 GLN HA 1 50 PHE HA 2.985 2.390 3.580 2.401 2.058 2.612 0.332 2 0 "[ . ]" 1
388 1 45 GLN HA 1 50 PHE QD 3.625 2.900 4.350 3.908 3.251 4.416 0.066 2 0 "[ . ]" 1
389 1 45 GLN HA 1 50 PHE QE 4.050 3.240 4.860 5.356 3.800 6.475 1.615 2 5 "[ + -*** ]" 1
390 1 46 ASP H 1 46 ASP HA 2.915 2.330 3.500 2.970 2.926 3.013 . 0 0 "[ . ]" 1
391 1 46 ASP H 1 46 ASP QB 3.810 3.050 4.570 2.932 2.490 3.242 0.560 6 1 "[ .+ ]" 1
392 1 46 ASP H 1 48 HIS H 4.090 3.270 4.910 4.151 3.588 4.734 . 0 0 "[ . ]" 1
393 1 46 ASP H 1 49 GLY H 3.420 2.530 3.800 3.788 2.799 4.499 0.699 2 4 "[-+ . ** ]" 1
394 1 46 ASP H 1 51 ILE H 4.185 3.370 5.000 4.187 3.721 4.792 . 0 0 "[ . ]" 1
395 1 46 ASP H 1 51 ILE QG 3.590 2.870 4.310 4.560 4.154 4.771 0.461 5 0 "[ . ]" 1
396 1 46 ASP H 1 51 ILE MG 4.350 3.700 5.000 4.398 3.237 6.270 1.270 4 1 "[ +. ]" 1
397 1 46 ASP HA 1 48 HIS H 3.865 3.090 4.640 4.617 4.224 5.412 0.772 8 2 "[ -. + ]" 1
398 1 46 ASP HA 1 48 HIS HA 4.015 3.210 4.820 6.978 6.757 7.144 2.324 3 9 [**+*-****] 1
399 1 46 ASP QB 1 47 GLU H 3.600 2.880 4.320 2.023 1.731 2.892 1.149 8 7 "[*-**. *+*]" 1
400 1 46 ASP QB 1 48 HIS H 4.220 3.440 5.000 3.121 2.095 4.297 1.345 6 3 "[ * -+ ]" 1
401 1 47 GLU H 1 48 HIS H 3.800 3.390 4.210 2.729 2.327 3.249 1.063 6 7 "[*** -+* *]" 1
402 1 47 GLU HA 1 48 HIS H 3.605 2.880 4.330 3.500 3.424 3.585 . 0 0 "[ . ]" 1
403 1 48 HIS H 1 48 HIS HA 3.465 2.770 4.160 2.978 2.944 3.008 . 0 0 "[ . ]" 1
404 1 48 HIS H 1 48 HIS HB2 3.575 2.860 4.290 2.676 2.382 3.877 0.478 3 0 "[ . ]" 1
405 1 48 HIS H 1 48 HIS HB3 3.610 2.890 4.330 3.688 3.428 3.840 . 0 0 "[ . ]" 1
406 1 48 HIS H 1 48 HIS HD2 4.190 3.380 5.000 4.069 3.183 5.472 0.472 2 0 "[ . ]" 1
407 1 48 HIS H 1 49 GLY H 2.985 2.540 3.430 3.212 2.033 3.901 0.507 6 1 "[ .+ ]" 1
408 1 48 HIS H 1 51 ILE MG 4.500 4.000 5.000 4.209 3.495 4.854 0.505 8 1 "[ . + ]" 1
409 1 48 HIS HA 1 48 HIS HB2 3.250 2.250 3.380 2.956 2.517 3.029 . 0 0 "[ . ]" 1
410 1 48 HIS HA 1 48 HIS HB3 3.100 2.480 3.720 2.468 2.368 2.541 0.112 5 0 "[ . ]" 1
411 1 48 HIS HA 1 49 GLY H 3.390 2.710 4.070 2.736 2.182 3.576 0.528 1 1 "[+ . ]" 1
412 1 48 HIS HA 2 59 TYR QD 2.945 . 4.090 3.132 1.965 4.740 0.650 6 1 "[ .+ ]" 1
413 1 48 HIS HA 2 59 TYR QE 3.270 . 4.740 3.653 2.641 5.540 0.800 1 1 "[+ . ]" 1
414 1 48 HIS HB2 1 49 GLY H 3.695 2.960 4.430 3.822 2.329 4.515 0.631 3 1 "[ + . ]" 1
415 1 48 HIS HB2 1 51 ILE MG 3.400 . 5.000 3.868 2.640 4.678 . 0 0 "[ . ]" 1
416 1 48 HIS HB2 2 59 TYR QE 3.400 . 5.000 4.376 2.671 5.984 0.984 2 2 "[ + . - ]" 1
417 1 48 HIS HB3 1 49 GLY H 3.530 2.820 4.240 4.071 3.312 4.457 0.217 1 0 "[ . ]" 1
418 1 48 HIS HB3 1 51 ILE MG 3.400 . 5.000 4.843 3.624 5.724 0.724 4 1 "[ +. ]" 1
419 1 48 HIS HB3 2 59 TYR QD 3.580 . 5.360 2.999 2.087 4.317 . 0 0 "[ . ]" 1
420 1 48 HIS HB3 2 59 TYR QE 3.315 . 4.830 3.701 2.087 4.911 0.081 2 0 "[ . ]" 1
421 1 49 GLY H 1 50 PHE H 3.870 2.890 4.340 4.356 3.732 4.653 0.313 1 0 "[ . ]" 1
422 1 49 GLY H 1 51 ILE MG 4.360 3.720 5.000 5.014 3.019 7.183 2.183 4 5 "[-**+. * ]" 1
423 1 49 GLY QA 1 50 PHE H 3.390 2.990 4.070 2.274 2.088 3.320 0.902 8 8 [**-*.**+*] 1
424 1 50 PHE H 1 50 PHE HA 3.725 2.980 4.470 2.943 2.866 2.985 0.114 6 0 "[ . ]" 1
425 1 50 PHE H 1 50 PHE QB 3.875 3.100 4.630 2.720 2.279 3.271 0.821 1 5 "[+ *** -]" 1
426 1 50 PHE H 1 50 PHE QD 4.320 3.640 5.000 2.888 2.152 3.451 1.488 5 7 "[****+ *- ]" 1
427 1 50 PHE H 1 51 ILE H 4.060 3.250 4.870 4.416 4.191 4.661 . 0 0 "[ . ]" 1
428 1 50 PHE HA 1 50 PHE QD 3.810 3.050 4.570 3.266 2.659 3.717 0.391 3 0 "[ . ]" 1
429 1 50 PHE HA 1 50 PHE QE 4.240 3.390 5.090 5.126 4.473 5.645 0.555 8 4 "[ - ** + ]" 1
430 1 50 PHE HA 1 51 ILE MD 4.200 3.360 5.040 4.909 2.677 5.562 0.683 4 2 "[- +. ]" 1
431 1 50 PHE QB 1 50 PHE QE 4.660 3.950 5.590 3.929 3.920 3.936 0.030 8 0 "[ . ]" 1
432 1 50 PHE QD 2 58 LYS H 3.085 . 4.370 4.722 4.142 5.532 1.162 9 4 "[* *-. +]" 1
433 1 51 ILE H 1 51 ILE HB 3.855 3.080 4.630 3.664 2.665 4.004 0.415 4 0 "[ . ]" 1
434 1 51 ILE H 1 51 ILE QG 4.150 3.320 4.460 2.252 1.867 3.328 1.453 8 8 "[-** ***+*]" 1
435 1 51 ILE H 1 51 ILE MG 3.900 3.120 4.680 2.866 2.202 3.872 0.918 3 1 "[ + . ]" 1
436 1 51 ILE H 2 58 LYS H 2.710 . 3.620 4.730 4.284 5.231 1.611 2 9 [*+-******] 1
437 1 51 ILE HA 1 51 ILE MD 3.605 2.880 4.320 4.012 3.381 4.180 . 0 0 "[ . ]" 1
438 1 51 ILE HA 2 57 ARG QB 2.890 . 3.980 3.948 3.391 4.201 0.221 6 0 "[ . ]" 1
439 1 51 ILE MD 1 52 SER HA 4.160 3.430 4.890 4.519 2.376 6.002 1.112 4 2 "[ +. - ]" 1
440 1 51 ILE MG 2 55 PHE QE 3.400 . 5.000 5.194 3.146 6.115 1.115 5 4 "[ *- + * ]" 1
441 1 51 ILE MG 2 56 HIS H 3.090 . 4.380 4.214 2.959 5.122 0.742 5 1 "[ + ]" 1
442 1 52 SER H 1 53 ARG H 3.935 3.150 4.720 3.859 3.460 4.232 . 0 0 "[ . ]" 1
443 1 52 SER HA 1 52 SER QB 3.060 2.610 3.490 2.339 2.298 2.398 0.312 6 0 "[ . ]" 1
444 1 52 SER QB 1 53 ARG H 3.635 2.950 4.360 3.919 3.560 4.046 . 0 0 "[ . ]" 1
445 1 52 SER QB 2 56 HIS QB 2.965 . 4.130 2.236 1.869 3.983 . 0 0 "[ . ]" 1
446 1 52 SER QB 2 56 HIS HE1 3.150 . 4.500 4.115 3.121 5.027 0.527 4 1 "[ +. ]" 1
447 1 53 ARG H 1 53 ARG QB 3.910 3.130 4.690 2.409 2.308 2.597 0.822 4 9 [**-+*****] 1
448 1 53 ARG H 1 53 ARG QG 4.035 3.230 4.840 3.097 2.114 4.078 1.116 3 2 "[ + . -]" 1
449 1 53 ARG HA 1 53 ARG QD 3.505 2.800 4.210 4.013 3.807 4.217 0.007 3 0 "[ . ]" 1
450 1 53 ARG HA 1 54 GLU H 3.475 2.780 4.170 2.199 2.122 2.373 0.658 2 7 "[ + *-****]" 1
451 1 53 ARG QB 1 54 GLU H 3.565 2.850 4.280 3.595 2.909 4.025 . 0 0 "[ . ]" 1
452 1 54 GLU H 1 54 GLU QG 3.850 3.080 4.620 3.701 2.395 4.156 0.685 3 1 "[ + . ]" 1
453 1 54 GLU H 1 55 PHE H 4.145 3.290 4.930 4.431 4.246 4.666 . 0 0 "[ . ]" 1
454 1 54 GLU H 1 55 PHE QB 4.210 3.420 5.000 5.518 4.218 6.280 1.280 3 5 "[*-+ .* * ]" 1
455 1 54 GLU HA 1 55 PHE H 3.485 2.790 4.180 2.159 2.092 2.380 0.698 4 8 "[**-+** **]" 1
456 1 55 PHE H 1 55 PHE QB 4.260 3.520 5.000 2.669 2.364 3.319 1.156 8 8 "[****-**+ ]" 1
457 1 55 PHE H 1 55 PHE QD 4.250 3.500 5.000 2.872 2.064 4.447 1.436 8 6 "[-* *** + ]" 1
458 1 55 PHE HA 1 55 PHE QB . 2.500 3.550 2.286 2.166 2.383 0.334 5 0 "[ . ]" 1
459 1 55 PHE HA 1 55 PHE QD 3.900 3.120 4.680 3.045 2.257 3.717 0.863 7 3 "[- * . + ]" 1
460 1 55 PHE HA 1 56 HIS H 3.600 2.880 4.320 2.320 2.151 2.443 0.729 2 6 "[*+ -*** ]" 1
461 1 55 PHE HA 2 53 ARG HA 2.795 . 3.610 2.866 1.899 3.962 0.352 1 0 "[ . ]" 1
462 1 55 PHE HA 2 54 GLU H 2.815 . 3.830 3.832 2.555 4.695 0.865 7 1 "[ . + ]" 1
463 1 55 PHE QB 1 56 HIS H 3.700 2.960 4.440 2.550 2.182 3.590 0.778 3 6 "[- +** **]" 1
464 1 55 PHE QD 2 51 ILE MG 3.210 . 4.620 4.287 3.429 5.020 0.400 5 0 "[ . ]" 1
465 1 55 PHE QD 2 53 ARG HA 3.265 . 4.730 4.193 2.718 4.885 0.155 4 0 "[ . ]" 1
466 1 55 PHE HZ 2 53 ARG HA 3.130 . 4.460 7.317 5.806 8.740 4.280 4 9 [-**+*****] 1
467 1 56 HIS H 1 56 HIS QB 3.650 2.920 4.380 2.890 2.705 3.180 0.215 4 0 "[ . ]" 1
468 1 56 HIS H 1 57 ARG H 4.225 3.450 5.000 3.177 2.678 4.332 0.772 3 3 "[ + . -* ]" 1
469 1 56 HIS H 2 51 ILE QG 2.835 . 3.870 5.095 4.507 5.620 1.750 7 9 [-*****+**] 1
470 1 56 HIS H 2 52 SER H 2.805 . 3.810 2.519 2.037 3.103 . 0 0 "[ . ]" 1
471 1 56 HIS HA 1 56 HIS HD2 3.735 2.990 4.480 3.374 2.573 4.749 0.417 4 0 "[ . ]" 1
472 1 56 HIS QB 1 56 HIS HD2 3.925 3.140 4.710 2.887 2.640 3.307 0.500 5 0 "[ . ]" 1
473 1 57 ARG H 1 58 LYS H 4.200 3.400 5.000 4.106 3.662 4.349 . 0 0 "[ . ]" 1
474 1 57 ARG QB 1 58 LYS HA 3.315 2.650 3.980 4.570 4.394 4.883 0.903 2 7 "[ +***-* *]" 1
475 1 57 ARG QB 2 48 HIS H 2.860 . 3.290 5.601 4.181 7.268 3.978 5 9 [*-**+****] 1
476 1 58 LYS HA 1 58 LYS QG 3.445 2.760 4.130 2.381 2.339 2.447 0.421 9 0 "[ . ]" 1
477 1 58 LYS HA 1 59 TYR H 3.425 2.740 4.110 2.281 2.129 2.369 0.611 7 2 "[- . + ]" 1
478 1 58 LYS QG 1 59 TYR H 3.960 3.170 4.750 4.055 3.283 4.446 . 0 0 "[ . ]" 1
479 1 59 TYR H 1 59 TYR HA 3.750 3.000 4.500 2.922 2.849 3.003 0.151 9 0 "[ . ]" 1
480 1 59 TYR H 1 59 TYR QB 4.080 3.220 4.830 2.401 2.199 3.097 1.021 9 8 "[ ****-**+]" 1
481 1 59 TYR H 1 59 TYR QD 4.325 3.650 5.000 3.310 2.061 4.235 1.589 7 4 "[- * + *]" 1
482 1 59 TYR H 1 60 ARG H 4.135 3.310 4.960 4.408 4.238 4.627 . 0 0 "[ . ]" 1
483 1 59 TYR HA 1 59 TYR QB 3.470 2.550 3.830 2.347 2.179 2.470 0.371 1 0 "[ . ]" 1
484 1 59 TYR HA 1 59 TYR QD 3.485 2.790 4.180 2.974 2.094 3.731 0.696 6 1 "[ .+ ]" 1
485 1 59 TYR HA 1 60 ARG H 2.735 2.190 3.280 2.142 2.080 2.365 0.110 6 0 "[ . ]" 1
486 1 59 TYR HA 1 60 ARG QB 3.775 3.120 4.530 4.066 3.917 4.415 . 0 0 "[ . ]" 1
487 1 59 TYR HA 1 61 ILE MD 4.820 3.860 5.780 7.241 6.757 7.867 2.087 1 9 [+**-*****] 1
488 1 59 TYR HA 2 49 GLY H 2.875 . 3.950 4.064 3.266 4.755 0.805 6 3 "[* .+ -]" 1
489 1 59 TYR HA 2 49 GLY QA 2.775 . 3.750 2.226 1.968 2.578 . 0 0 "[ . ]" 1
490 1 59 TYR QB 1 59 TYR QE 4.425 3.540 5.310 3.940 3.925 3.970 . 0 0 "[ . ]" 1
491 1 59 TYR QB 2 48 HIS H 3.400 . 5.000 6.052 4.957 7.602 2.602 7 6 "[ ***-+ *]" 1
492 1 59 TYR QB 2 49 GLY QA 2.375 . 2.950 3.656 1.972 4.539 1.589 9 7 "[ -*** **+]" 1
493 1 59 TYR QD 1 61 ILE HA 4.175 3.340 5.010 5.371 3.894 7.582 2.572 6 4 "[ *+- *]" 1
494 1 59 TYR QD 1 61 ILE MG 4.635 3.710 5.560 6.352 5.111 8.302 2.742 6 4 "[ *+- *]" 1
495 1 59 TYR QD 1 62 PRO QD 4.625 4.050 5.550 5.351 4.296 7.086 1.536 6 2 "[ -+ ]" 1
496 1 60 ARG H 1 60 ARG HA 3.100 2.480 3.720 2.868 2.793 2.990 . 0 0 "[ . ]" 1
497 1 60 ARG H 1 61 ILE H 4.195 3.390 5.000 4.576 4.326 4.642 . 0 0 "[ . ]" 1
498 1 60 ARG HA 1 60 ARG QD 3.145 2.290 3.440 3.162 2.186 3.807 0.367 3 0 "[ . ]" 1
499 1 60 ARG HA 1 61 ILE MD 3.995 2.930 4.390 4.766 4.455 4.964 0.574 9 2 "[ . - +]" 1
500 1 60 ARG QB 1 60 ARG QD 3.020 2.440 3.620 2.223 2.114 2.504 0.326 4 0 "[ . ]" 1
501 1 60 ARG QB 1 61 ILE H 3.640 2.910 4.370 3.357 2.571 3.879 0.339 1 0 "[ . ]" 1
502 1 60 ARG QD 1 61 ILE H 4.060 3.250 4.870 4.383 3.167 4.807 0.083 9 0 "[ . ]" 1
503 1 60 ARG QD 2 50 PHE H 2.980 . 4.160 4.884 3.787 6.896 2.736 6 4 "[ *.+ *-]" 1
504 1 61 ILE H 1 61 ILE MD 4.425 3.970 4.880 3.516 3.377 3.665 0.593 6 3 "[ -+ *]" 1
505 1 61 ILE HA 1 61 ILE HB 3.240 2.680 3.800 3.001 2.993 3.006 . 0 0 "[ . ]" 1
506 1 61 ILE HA 1 61 ILE MD 4.045 2.840 4.260 3.830 3.790 3.911 . 0 0 "[ . ]" 1
507 1 61 ILE HA 1 61 ILE MG 4.170 3.070 4.610 2.360 2.253 2.403 0.817 4 9 [**-+*****] 1
508 1 61 ILE HA 1 62 PRO HA 4.025 3.220 4.830 4.496 4.465 4.532 . 0 0 "[ . ]" 1
509 1 61 ILE HA 1 62 PRO QD 4.085 3.270 4.790 1.964 1.954 1.975 1.316 8 9 [-******+*] 1
510 1 61 ILE HB 1 61 ILE MD 3.780 3.020 4.540 2.309 2.250 2.393 0.770 6 9 [-****+***] 1
511 1 61 ILE HB 1 62 PRO QD 3.840 3.070 4.530 4.124 3.882 4.259 . 0 0 "[ . ]" 1
512 1 61 ILE MD 1 61 ILE MG 3.550 2.840 4.260 2.104 1.989 2.175 0.851 1 9 [+******-*] 1
513 1 61 ILE MD 1 62 PRO QD 4.275 3.550 5.130 4.592 4.469 4.713 . 0 0 "[ . ]" 1
514 1 61 ILE MD 1 65 VAL H 3.300 2.640 3.960 5.917 5.173 6.094 2.134 9 9 [***-****+] 1
515 1 61 ILE QG 1 61 ILE MG 3.340 2.670 4.010 2.248 2.211 2.275 0.459 4 0 "[ . ]" 1
516 1 61 ILE QG 1 62 PRO QD 3.860 3.090 4.630 3.533 3.462 3.651 . 0 0 "[ . ]" 1
517 1 61 ILE MG 1 62 PRO QD 3.925 3.350 4.710 2.261 1.970 2.650 1.380 4 9 [*-*+*****] 1
518 1 61 ILE MG 1 63 ALA HA 4.135 3.310 4.960 4.254 4.010 4.578 . 0 0 "[ . ]" 1
519 1 61 ILE MG 1 64 ASP H 4.365 3.730 5.000 4.557 3.996 4.754 . 0 0 "[ . ]" 1
520 1 61 ILE MG 1 65 VAL H 3.240 2.590 3.890 3.219 3.125 3.284 . 0 0 "[ . ]" 1
521 1 61 ILE MG 1 85 PRO HA 4.550 3.640 5.460 7.881 6.852 9.670 4.210 2 9 [*+*-*****] 1
522 1 62 PRO HA 1 62 PRO QD 3.700 2.960 4.440 3.348 3.332 3.378 . 0 0 "[ . ]" 1
523 1 62 PRO HA 1 63 ALA H 2.690 2.150 3.230 2.242 2.203 2.317 . 0 0 "[ . ]" 1
524 1 62 PRO HA 1 64 ASP H 3.125 2.500 3.750 3.817 3.698 3.975 0.225 4 0 "[ . ]" 1
525 1 62 PRO QB 1 63 ALA H 3.075 2.460 3.690 3.095 2.923 3.185 . 0 0 "[ . ]" 1
526 1 62 PRO QB 1 64 ASP H 3.060 2.450 3.670 2.628 2.332 2.852 0.118 2 0 "[ . ]" 1
527 1 63 ALA H 1 63 ALA HA 2.890 2.310 3.470 2.836 2.790 2.870 . 0 0 "[ . ]" 1
528 1 63 ALA H 1 63 ALA MB 2.890 2.310 3.470 2.228 2.205 2.241 0.105 1 0 "[ . ]" 1
529 1 63 ALA H 1 64 ASP H 3.030 2.400 3.600 2.726 2.626 2.857 . 0 0 "[ . ]" 1
530 1 63 ALA H 1 65 VAL H 3.775 3.150 4.400 4.373 4.216 4.627 0.227 4 0 "[ . ]" 1
531 1 63 ALA HA 1 65 VAL H 2.895 2.320 3.470 3.594 3.317 4.103 0.633 8 1 "[ . + ]" 1
532 1 63 ALA MB 1 64 ASP H 3.135 2.510 3.760 3.082 2.914 3.420 . 0 0 "[ . ]" 1
533 1 63 ALA MB 1 64 ASP HA 3.825 3.060 4.590 4.015 3.966 4.091 . 0 0 "[ . ]" 1
534 1 63 ALA MB 1 65 VAL H 3.560 2.850 4.270 4.382 4.325 4.578 0.308 8 0 "[ . ]" 1
535 1 64 ASP H 1 64 ASP HA 2.735 2.190 3.280 2.977 2.942 2.998 . 0 0 "[ . ]" 1
536 1 64 ASP H 1 64 ASP HB2 2.900 2.320 3.480 2.409 2.326 2.446 . 0 0 "[ . ]" 1
537 1 64 ASP H 1 64 ASP HB3 3.000 2.400 3.600 3.659 3.606 3.687 0.087 2 0 "[ . ]" 1
538 1 64 ASP H 1 65 VAL H 2.725 2.200 3.250 2.493 2.196 2.785 0.004 8 0 "[ . ]" 1
539 1 64 ASP H 1 65 VAL QG 4.465 3.930 5.000 3.485 3.343 3.818 0.587 6 5 "[** *+ -]" 1
540 1 64 ASP HA 1 64 ASP HB2 2.625 2.100 3.150 3.020 3.004 3.028 . 0 0 "[ . ]" 1
541 1 64 ASP HA 1 64 ASP HB3 2.650 2.120 3.180 2.509 2.480 2.555 . 0 0 "[ . ]" 1
542 1 64 ASP HA 1 65 VAL H 2.925 2.340 3.510 3.196 3.007 3.440 . 0 0 "[ . ]" 1
543 1 64 ASP HB2 1 65 VAL H 3.325 2.660 3.990 3.720 3.194 4.055 0.065 6 0 "[ . ]" 1
544 1 64 ASP HB3 1 65 VAL H 3.485 2.790 4.180 4.310 4.052 4.437 0.257 6 0 "[ . ]" 1
545 1 65 VAL H 1 66 ASP H 3.870 2.840 4.270 4.467 4.333 4.657 0.387 4 0 "[ . ]" 1
546 1 65 VAL H 1 87 LYS QD 2.750 2.200 3.300 4.040 3.420 5.769 2.469 8 3 "[ *. -+ ]" 1
547 1 65 VAL HA 1 66 ASP H 3.060 2.450 3.670 2.152 2.120 2.229 0.330 1 0 "[ . ]" 1
548 1 66 ASP H 1 66 ASP HA 3.170 2.540 3.800 2.935 2.893 2.986 . 0 0 "[ . ]" 1
549 1 66 ASP H 1 66 ASP HB2 3.135 2.510 3.760 2.722 2.491 3.088 0.019 8 0 "[ . ]" 1
550 1 66 ASP H 1 66 ASP HB3 3.055 2.440 3.670 2.700 2.520 3.719 0.049 8 0 "[ . ]" 1
551 1 66 ASP H 1 69 THR HG1 3.835 3.070 4.600 3.495 2.136 4.092 0.934 8 1 "[ . + ]" 1
552 1 66 ASP H 1 69 THR MG 4.180 3.360 5.000 4.119 2.747 4.788 0.613 8 1 "[ . + ]" 1
553 1 66 ASP HA 1 68 LEU H 3.615 2.890 4.340 3.738 3.502 4.105 . 0 0 "[ . ]" 1
554 1 67 PRO HA 1 70 ILE MD 3.640 2.910 4.370 2.248 2.055 2.490 0.855 9 8 "[*- *****+]" 1
555 1 67 PRO QB 1 70 ILE MD 4.165 3.330 5.000 3.461 2.657 3.985 0.673 2 1 "[ + . ]" 1
556 1 67 PRO QD 1 70 ILE MD 4.320 3.460 5.180 4.378 4.063 5.177 . 0 0 "[ . ]" 1
557 1 67 PRO QG 1 68 LEU H 3.675 2.940 4.410 3.607 2.747 3.945 0.193 9 0 "[ . ]" 1
558 1 67 PRO QG 1 70 ILE MD 3.660 2.930 4.390 4.103 3.646 4.861 0.471 3 0 "[ . ]" 1
559 1 68 LEU H 1 68 LEU HA 2.925 2.340 3.510 2.921 2.863 2.999 . 0 0 "[ . ]" 1
560 1 68 LEU H 1 68 LEU QB 2.935 2.350 3.520 2.411 2.379 2.477 . 0 0 "[ . ]" 1
561 1 68 LEU H 1 68 LEU MD1 3.535 2.830 4.240 3.679 3.586 3.909 . 0 0 "[ . ]" 1
562 1 68 LEU H 1 68 LEU MD2 3.550 2.840 4.260 3.501 3.418 3.682 . 0 0 "[ . ]" 1
563 1 68 LEU H 1 69 THR H 3.245 2.500 3.750 2.521 2.221 2.724 0.279 2 0 "[ . ]" 1
564 1 68 LEU H 1 69 THR MG 4.060 3.250 4.870 3.724 3.345 3.925 . 0 0 "[ . ]" 1
565 1 68 LEU H 1 70 ILE H 3.715 2.970 4.460 4.137 3.884 4.342 . 0 0 "[ . ]" 1
566 1 68 LEU HA 1 69 THR H 3.750 3.000 4.500 3.365 3.232 3.520 . 0 0 "[ . ]" 1
567 1 68 LEU HA 1 70 ILE H 3.785 3.030 4.540 3.692 3.620 3.924 . 0 0 "[ . ]" 1
568 1 69 THR H 1 69 THR HA 3.225 2.580 3.870 2.982 2.904 3.011 . 0 0 "[ . ]" 1
569 1 69 THR H 1 69 THR HG1 3.430 2.740 4.120 2.964 1.998 3.554 0.742 6 2 "[ -+ ]" 1
570 1 69 THR H 1 69 THR MG 3.535 2.830 4.240 2.543 2.195 2.849 0.635 8 2 "[ - + ]" 1
571 1 69 THR H 1 70 ILE H 3.115 2.460 3.680 2.292 2.068 2.473 0.392 6 0 "[ . ]" 1
572 1 69 THR H 1 70 ILE MG 4.225 3.450 5.000 4.921 2.845 5.771 0.771 8 5 "[** - *+ ]" 1
573 1 69 THR HA 1 70 ILE H 3.265 2.610 3.920 3.263 3.145 3.466 . 0 0 "[ . ]" 1
574 1 69 THR HA 1 70 ILE HA 3.240 2.590 3.890 4.668 4.605 4.750 0.860 8 9 [**-****+*] 1
575 1 69 THR HA 1 84 GLY QA 3.600 2.880 4.320 4.578 4.272 5.102 0.782 8 2 "[ -. + ]" 1
576 1 69 THR HB 1 70 ILE QG 2.560 2.050 3.070 4.913 4.456 5.900 2.830 3 9 [**+*-****] 1
577 1 69 THR HB 1 84 GLY QA 3.335 2.670 4.000 3.647 3.367 4.013 0.013 8 0 "[ . ]" 1
578 1 69 THR HB 1 85 PRO QD 3.555 2.840 4.270 2.169 1.970 2.923 0.870 3 8 "[**+*** -*]" 1
579 1 69 THR HG1 1 70 ILE H 3.725 2.980 4.470 3.697 2.752 4.649 0.228 5 0 "[ . ]" 1
580 1 69 THR MG 1 70 ILE H 3.540 2.830 4.250 4.163 3.989 4.263 0.013 3 0 "[ . ]" 1
581 1 70 ILE H 1 70 ILE HA 3.260 2.610 3.910 2.954 2.905 2.971 . 0 0 "[ . ]" 1
582 1 70 ILE H 1 70 ILE MD 3.330 2.660 4.000 3.654 3.516 3.718 . 0 0 "[ . ]" 1
583 1 70 ILE H 1 70 ILE MG 4.040 3.230 4.850 3.491 2.456 3.788 0.774 2 2 "[ +- . ]" 1
584 1 70 ILE H 1 71 THR H 3.790 3.050 4.530 4.541 4.486 4.623 0.093 2 0 "[ . ]" 1
585 1 70 ILE HA 1 70 ILE MD 3.660 2.930 4.390 3.918 3.818 4.168 . 0 0 "[ . ]" 1
586 1 70 ILE HA 1 70 ILE MG 3.350 2.680 4.020 2.359 2.300 2.405 0.380 2 0 "[ . ]" 1
587 1 70 ILE HB 1 84 GLY QA 3.970 3.090 4.430 4.061 3.719 4.396 . 0 0 "[ . ]" 1
588 1 70 ILE MD 1 71 THR H 3.385 2.710 4.060 5.051 4.472 5.235 1.175 5 8 "[* -*+****]" 1
589 1 70 ILE MD 1 84 GLY QA 4.685 3.750 5.620 3.877 3.435 5.001 0.315 7 0 "[ . ]" 1
590 1 70 ILE QG 1 70 ILE MG 3.665 2.930 4.400 2.292 2.258 2.362 0.672 2 9 [*+-******] 1
591 1 70 ILE QG 1 84 GLY QA 3.890 3.110 4.670 2.555 1.914 4.503 1.196 9 7 "[* ****-+]" 1
592 1 70 ILE MG 1 82 VAL HB 3.750 3.000 4.500 4.347 3.829 5.849 1.349 3 1 "[ + . ]" 1
593 1 71 THR H 1 71 THR HA 2.815 2.250 3.380 3.002 2.981 3.010 . 0 0 "[ . ]" 1
594 1 71 THR H 1 71 THR MG 3.635 2.910 4.360 3.619 2.583 3.963 0.327 9 0 "[ . ]" 1
595 1 71 THR H 1 72 SER H 3.865 3.110 4.620 4.294 3.682 4.540 . 0 0 "[ . ]" 1
596 1 71 THR H 1 83 ASP H 3.440 2.860 4.020 2.936 2.257 3.216 0.603 3 1 "[ + . ]" 1
597 1 71 THR HB 1 72 SER H 2.760 2.210 3.310 3.816 2.221 4.494 1.184 2 7 "[*+**-* * ]" 1
598 1 71 THR MG 1 72 SER H 3.275 2.620 3.930 2.970 2.409 3.713 0.211 5 0 "[ . ]" 1
599 1 72 SER H 1 72 SER HA 3.375 2.700 4.050 2.939 2.868 2.998 . 0 0 "[ . ]" 1
600 1 72 SER H 1 73 SER H 3.675 2.970 4.380 4.560 4.346 4.679 0.299 2 0 "[ . ]" 1
601 1 72 SER H 1 82 VAL HA 2.625 2.100 3.150 4.349 3.726 4.789 1.639 7 9 [**-***+**] 1
602 1 72 SER H 1 82 VAL QG 4.015 3.210 4.820 3.716 2.686 4.334 0.524 3 1 "[ + . ]" 1
603 1 72 SER HA 1 72 SER QB 2.800 2.240 3.360 2.219 2.164 2.326 0.076 1 0 "[ . ]" 1
604 1 72 SER HA 1 73 SER H 2.850 2.280 3.420 2.265 2.134 2.365 0.146 8 0 "[ . ]" 1
605 1 72 SER HA 1 82 VAL HA 2.955 2.280 3.420 2.147 1.950 2.405 0.330 3 0 "[ . ]" 1
606 1 72 SER HA 1 82 VAL HB 3.925 3.140 4.710 4.612 2.695 5.059 0.445 3 0 "[ . ]" 1
607 1 72 SER HA 1 82 VAL QG . 3.200 3.990 2.669 2.417 2.967 0.783 8 5 "[* *- +*]" 1
608 1 72 SER QB 1 82 VAL HA 3.150 2.520 3.780 3.181 3.048 3.338 . 0 0 "[ . ]" 1
609 1 72 SER QB 1 83 ASP H 3.615 2.890 4.340 4.568 4.399 4.750 0.410 1 0 "[ . ]" 1
610 1 73 SER H 1 73 SER HA 3.235 2.590 3.880 2.944 2.893 2.992 . 0 0 "[ . ]" 1
611 1 73 SER H 1 73 SER QB 2.760 2.210 3.310 2.923 2.625 3.267 . 0 0 "[ . ]" 1
612 1 73 SER H 1 80 LEU HA 3.900 3.120 4.680 4.128 3.723 4.522 . 0 0 "[ . ]" 1
613 1 73 SER H 1 80 LEU QD 3.445 2.760 4.130 2.633 2.230 3.217 0.530 2 2 "[ +- . ]" 1
614 1 73 SER H 1 80 LEU HG 4.050 3.240 4.860 4.242 3.456 4.823 . 0 0 "[ . ]" 1
615 1 73 SER H 1 82 VAL QG 4.150 3.320 4.980 3.588 3.301 4.543 0.019 4 0 "[ . ]" 1
616 1 73 SER HA 1 74 LEU H 2.990 2.390 3.590 2.198 2.120 2.329 0.270 4 0 "[ . ]" 1
617 1 74 LEU H 1 74 LEU QB 3.440 2.750 4.130 2.392 2.287 2.538 0.463 4 0 "[ . ]" 1
618 1 74 LEU H 1 74 LEU QD 4.085 3.270 4.900 3.677 2.579 3.979 0.691 2 1 "[ + . ]" 1
619 1 74 LEU H 1 74 LEU HG 3.870 3.100 4.640 4.228 2.895 4.631 0.205 3 0 "[ . ]" 1
620 1 74 LEU H 1 75 SER H 3.645 2.920 4.370 4.444 4.243 4.566 0.196 3 0 "[ . ]" 1
621 1 75 SER H 1 78 GLY H 3.800 3.060 4.540 3.840 3.136 4.289 . 0 0 "[ . ]" 1
622 1 75 SER H 1 79 VAL H 3.280 2.640 3.920 2.821 2.341 3.692 0.299 2 0 "[ . ]" 1
623 1 75 SER H 1 79 VAL HB 3.500 2.800 4.200 3.483 3.085 3.877 . 0 0 "[ . ]" 1
624 1 75 SER HA 1 75 SER QB 2.410 . 2.890 2.191 2.169 2.339 . 0 0 "[ . ]" 1
625 1 75 SER HA 1 78 GLY H 3.175 2.540 3.810 4.581 4.405 4.808 0.998 8 9 [**-****+*] 1
626 1 75 SER QB 1 79 VAL H 3.340 2.670 4.010 3.169 2.021 3.417 0.649 4 1 "[ +. ]" 1
627 1 76 SER QB 1 77 ASP H 3.410 2.730 4.090 3.724 3.681 3.773 . 0 0 "[ . ]" 1
628 1 77 ASP H 1 77 ASP HA 2.880 2.300 3.460 2.963 2.944 2.992 . 0 0 "[ . ]" 1
629 1 77 ASP H 1 77 ASP QB 2.950 2.360 3.540 2.367 2.353 2.401 0.007 9 0 "[ . ]" 1
630 1 77 ASP H 1 78 GLY H 3.180 2.590 3.770 2.329 2.208 2.385 0.382 3 0 "[ . ]" 1
631 1 77 ASP H 1 79 VAL H 3.825 3.060 4.590 3.457 3.236 3.770 . 0 0 "[ . ]" 1
632 1 77 ASP H 1 79 VAL QG 4.340 3.680 5.000 3.984 3.615 4.284 0.065 3 0 "[ . ]" 1
633 1 77 ASP HA 1 78 GLY H 3.210 2.570 3.850 3.359 3.303 3.441 . 0 0 "[ . ]" 1
634 1 77 ASP QB 1 78 GLY H 3.285 2.630 3.940 3.255 3.055 3.375 . 0 0 "[ . ]" 1
635 1 77 ASP QB 1 79 VAL H 3.785 3.030 4.540 3.349 3.066 3.700 . 0 0 "[ . ]" 1
636 1 78 GLY H 1 78 GLY QA 3.280 2.620 3.350 2.273 2.243 2.334 0.377 1 0 "[ . ]" 1
637 1 78 GLY H 1 79 VAL H 2.850 2.280 3.420 2.265 1.968 2.443 0.312 4 0 "[ . ]" 1
638 1 78 GLY H 1 79 VAL QG 3.650 2.920 4.380 3.738 3.517 3.897 . 0 0 "[ . ]" 1
639 1 79 VAL H 1 79 VAL HA 3.425 2.740 4.110 2.981 2.927 3.014 . 0 0 "[ . ]" 1
640 1 79 VAL H 1 79 VAL HB 2.915 2.330 3.500 2.550 2.462 2.682 . 0 0 "[ . ]" 1
641 1 79 VAL H 1 79 VAL QG 3.180 2.670 3.690 2.451 2.150 2.737 0.520 5 1 "[ + ]" 1
642 1 79 VAL H 1 80 LEU H 3.575 2.860 4.290 4.217 3.878 4.398 0.108 2 0 "[ . ]" 1
643 1 79 VAL HA 1 79 VAL QG 3.020 2.420 3.620 2.110 2.089 2.131 0.331 4 0 "[ . ]" 1
644 1 79 VAL HB 1 80 LEU H 3.875 3.100 4.650 4.415 4.296 4.500 . 0 0 "[ . ]" 1
645 1 79 VAL QG 1 80 LEU H 3.770 3.020 4.520 3.090 2.755 3.487 0.265 6 0 "[ . ]" 1
646 1 80 LEU H 1 80 LEU QD 3.800 3.040 4.560 3.801 3.766 3.835 . 0 0 "[ . ]" 1
647 1 80 LEU H 1 80 LEU HG 3.885 3.110 4.660 4.412 4.359 4.456 . 0 0 "[ . ]" 1
648 1 80 LEU HA 1 81 THR H 3.200 2.560 3.840 2.127 2.116 2.138 0.444 1 0 "[ . ]" 1
649 1 80 LEU QD 1 81 THR H 3.540 2.830 4.250 2.479 2.271 2.763 0.559 4 2 "[ +. - ]" 1
650 1 80 LEU HG 1 81 THR H 3.455 2.760 4.150 3.338 3.201 3.633 . 0 0 "[ . ]" 1
651 1 81 THR H 1 81 THR HB 3.325 2.660 3.990 2.642 2.480 2.785 0.180 8 0 "[ . ]" 1
652 1 81 THR H 1 81 THR MG 4.080 3.260 4.900 3.867 3.796 3.921 . 0 0 "[ . ]" 1
653 1 81 THR H 1 82 VAL H 3.485 2.790 4.180 4.272 4.043 4.436 0.256 8 0 "[ . ]" 1
654 1 81 THR HA 1 81 THR HB 3.300 2.640 3.960 3.031 3.025 3.039 . 0 0 "[ . ]" 1
655 1 81 THR HA 1 81 THR MG 3.580 2.860 4.300 2.320 2.292 2.340 0.568 5 9 [-***+****] 1
656 1 81 THR HA 1 82 VAL H 3.095 2.480 3.710 2.129 2.106 2.183 0.374 3 0 "[ . ]" 1
657 1 81 THR HB 1 82 VAL H 3.935 3.150 4.720 4.355 4.240 4.485 . 0 0 "[ . ]" 1
658 1 81 THR MG 1 82 VAL H 3.640 2.910 4.370 2.921 2.621 3.344 0.289 9 0 "[ . ]" 1
659 1 81 THR MG 1 83 ASP QB 3.575 2.880 4.290 2.502 2.133 2.736 0.747 5 2 "[ +- ]" 1
660 1 82 VAL H 1 82 VAL HB 3.545 2.840 4.250 2.669 2.515 3.048 0.325 2 0 "[ . ]" 1
661 1 82 VAL H 1 82 VAL QG 3.900 3.170 4.680 2.491 1.889 2.747 1.281 3 7 "[**+ **-* ]" 1
662 1 82 VAL HA 1 83 ASP H 2.890 2.310 3.470 2.108 2.089 2.140 0.221 8 0 "[ . ]" 1
663 1 82 VAL HA 1 83 ASP QB 4.035 3.270 4.840 4.047 3.822 4.256 . 0 0 "[ . ]" 1
664 1 82 VAL QG 1 83 ASP H 3.205 3.060 3.850 2.887 2.433 3.201 0.627 3 1 "[ + . ]" 1
665 1 82 VAL QG 1 83 ASP QB 4.700 3.760 5.640 4.314 3.971 4.468 . 0 0 "[ . ]" 1
666 1 83 ASP H 1 83 ASP HA 3.575 2.860 4.290 2.972 2.954 3.002 . 0 0 "[ . ]" 1
667 1 83 ASP H 1 83 ASP QB 3.425 2.740 4.090 2.796 2.322 3.124 0.418 6 0 "[ . ]" 1
668 1 83 ASP HA 1 83 ASP QB 3.105 2.620 3.610 2.238 2.188 2.360 0.432 8 0 "[ . ]" 1
669 1 83 ASP HA 1 84 GLY H 3.410 2.730 4.090 2.164 2.096 2.335 0.634 6 8 "[**- *+***]" 1
670 1 83 ASP QB 1 84 GLY H 3.695 2.960 4.430 3.211 2.509 3.846 0.451 4 0 "[ . ]" 1
671 1 84 GLY QA 1 85 PRO QD 3.775 3.020 4.530 1.919 1.873 1.993 1.147 1 9 [+****-***] 1
672 1 84 GLY QA 1 86 ARG H 3.225 2.580 3.870 5.196 3.406 5.712 1.842 6 7 "[*****+ -]" 1
673 1 85 PRO HA 1 85 PRO QB 2.725 2.180 3.270 2.240 2.185 2.261 . 0 0 "[ . ]" 1
674 1 85 PRO HA 1 85 PRO QD 3.985 3.190 4.780 3.348 3.302 3.375 . 0 0 "[ . ]" 1
675 1 85 PRO HA 1 85 PRO QG 2.800 2.240 3.360 2.972 2.798 3.497 0.137 8 0 "[ . ]" 1
676 1 85 PRO QB 1 86 ARG H 4.010 3.210 4.810 2.937 2.701 3.067 0.509 6 1 "[ .+ ]" 1
677 1 86 ARG H 1 86 ARG QB 3.690 2.950 4.430 2.412 2.212 3.174 0.738 5 7 "[*-* +*** ]" 1
678 1 86 ARG H 1 87 LYS H 3.755 3.000 4.510 4.359 3.181 4.685 0.175 5 0 "[ . ]" 1
679 1 87 LYS H 1 87 LYS HA 3.020 2.420 3.620 2.896 2.717 2.988 . 0 0 "[ . ]" 1
680 1 87 LYS H 1 87 LYS QD 2.765 2.210 3.320 3.940 3.653 4.389 1.069 2 5 "[ +- .*** ]" 1
681 1 87 LYS H 1 87 LYS QG 2.635 2.110 3.160 3.029 2.281 4.102 0.942 7 3 "[ - . +* ]" 1
682 1 87 LYS H 1 88 GLN H 3.355 2.420 3.630 2.648 2.107 4.427 0.797 7 1 "[ . + ]" 1
683 1 87 LYS HA 1 88 GLN H 2.175 . 2.550 3.302 2.145 3.586 1.036 8 8 "[***-** +*]" 1
684 1 87 LYS QG 1 88 GLN H 2.850 2.280 3.420 3.725 2.698 4.374 0.954 4 5 "[*-*+.* ]" 1
685 1 88 GLN H 1 88 GLN QB 2.415 . 2.900 2.407 2.241 2.494 . 0 0 "[ . ]" 1
686 1 88 GLN H 1 88 GLN QG 2.615 2.090 3.140 2.690 2.337 4.064 0.924 4 1 "[ +. ]" 1
687 1 88 GLN H 1 89 VAL H 3.160 2.530 3.790 2.661 2.070 4.603 0.813 7 1 "[ . + ]" 1
688 1 89 VAL H 1 89 VAL QG 2.615 2.090 3.140 2.196 1.959 2.415 0.131 8 0 "[ . ]" 1
689 2 3 SER H 2 3 SER HB3 3.760 3.010 4.510 2.909 2.450 3.610 0.560 3 2 "[ -+ . ]" 1
690 2 3 SER HA 2 3 SER HB2 2.585 2.070 3.100 2.492 2.399 3.009 . 0 0 "[ . ]" 1
691 2 3 SER HA 2 3 SER HB3 2.575 2.060 3.090 2.588 2.419 3.010 . 0 0 "[ . ]" 1
692 2 3 SER HA 2 16 LEU QD 4.655 3.720 5.590 4.997 3.182 5.999 0.538 1 1 "[+ . ]" 1
693 2 4 GLU H 2 4 GLU HA 2.240 . 2.680 2.937 2.846 3.015 0.335 4 0 "[ . ]" 1
694 2 4 GLU H 2 4 GLU QG 2.500 . 3.000 3.518 2.627 4.173 1.173 6 5 "[*** .+ - ]" 1
695 2 5 MET H 2 5 MET HA 3.355 2.680 4.030 2.918 2.740 2.996 . 0 0 "[ . ]" 1
696 2 5 MET H 2 5 MET ME 3.990 3.190 4.790 3.986 2.610 5.079 0.580 8 1 "[ . + ]" 1
697 2 5 MET H 2 5 MET QG 3.450 2.760 4.140 3.417 2.280 4.011 0.480 9 0 "[ . ]" 1
698 2 5 MET HA 2 5 MET QG 3.200 2.560 3.840 2.667 2.410 3.478 0.150 4 0 "[ . ]" 1
699 2 5 MET HA 2 14 VAL HA 3.140 2.510 3.770 2.681 2.232 3.091 0.278 4 0 "[ . ]" 1
700 2 5 MET HA 2 14 VAL QG 4.250 3.730 5.100 2.746 2.136 4.051 1.594 2 6 "[*+ **- *]" 1
701 2 5 MET ME 2 7 LEU QD 4.150 3.320 4.980 5.026 2.856 6.555 1.575 5 2 "[- + ]" 1
702 2 5 MET ME 2 14 VAL QG 4.900 4.010 5.220 3.351 2.045 4.168 1.965 4 4 "[ **+. - ]" 1
703 2 5 MET ME 2 59 TYR QD 4.015 3.210 4.820 3.522 2.570 4.904 0.640 9 1 "[ . +]" 1
704 2 5 MET ME 2 59 TYR QE 4.650 3.720 5.580 3.685 2.080 5.908 1.640 8 4 "[ *-*. + ]" 1
705 2 5 MET QG 2 6 ARG H 3.740 2.990 4.490 3.274 2.668 4.196 0.322 1 0 "[ . ]" 1
706 2 6 ARG HA 2 7 LEU H 2.385 . 2.860 2.187 2.116 2.302 . 0 0 "[ . ]" 1
707 2 6 ARG QG 2 8 GLU H 2.575 2.060 3.090 3.833 3.284 4.707 1.617 6 6 "[****.+ -]" 1
708 2 7 LEU H 2 7 LEU QB . 2.480 2.980 2.366 2.257 2.575 0.223 2 0 "[ . ]" 1
709 2 7 LEU H 2 7 LEU QD 4.300 3.820 4.780 3.514 2.147 3.906 1.673 2 3 "[ + .* - ]" 1
710 2 7 LEU QB 2 8 GLU H 2.580 2.060 3.100 3.729 2.907 3.999 0.899 7 7 "[* *** +-*]" 1
711 2 7 LEU QB 2 11 ARG H 3.175 2.540 3.700 4.789 3.465 5.794 2.094 3 6 "[* +*- * *]" 1
712 2 7 LEU QD 2 8 GLU H 3.425 2.740 4.110 3.149 2.419 4.236 0.321 5 0 "[ . ]" 1
713 2 8 GLU H 2 8 GLU QG 3.475 2.780 4.170 2.464 2.156 2.738 0.624 1 2 "[+ .- ]" 1
714 2 8 GLU H 2 13 SER H 3.400 2.720 4.080 4.282 3.432 5.529 1.449 3 2 "[ + . -]" 1
715 2 8 GLU HA 2 9 LYS H 3.185 2.550 3.820 2.631 2.399 2.952 0.151 7 0 "[ . ]" 1
716 2 9 LYS H 2 9 LYS HA 3.550 2.840 4.260 2.684 2.560 2.905 0.280 2 0 "[ . ]" 1
717 2 9 LYS H 2 9 LYS QB 3.050 2.440 3.660 2.300 2.254 2.369 0.186 6 0 "[ . ]" 1
718 2 9 LYS H 2 9 LYS QG 3.625 2.900 4.350 3.847 2.510 4.036 0.390 3 0 "[ . ]" 1
719 2 9 LYS H 2 10 ASP H 3.760 3.010 4.510 3.210 2.428 3.614 0.582 3 1 "[ + . ]" 1
720 2 9 LYS QB 2 10 ASP H 3.015 2.410 3.620 2.254 1.975 2.855 0.435 2 0 "[ . ]" 1
721 2 10 ASP H 2 10 ASP HA 3.040 2.430 3.650 2.957 2.897 2.999 . 0 0 "[ . ]" 1
722 2 10 ASP H 2 10 ASP QB 2.960 2.370 3.550 3.183 3.090 3.310 . 0 0 "[ . ]" 1
723 2 10 ASP H 2 11 ARG H 3.075 2.480 3.670 2.504 2.190 2.999 0.290 6 0 "[ . ]" 1
724 2 10 ASP H 2 11 ARG HB2 3.775 3.020 4.530 4.161 3.526 5.307 0.777 4 2 "[ +. - ]" 1
725 2 10 ASP H 2 11 ARG QG 3.330 2.660 4.000 4.047 2.731 5.822 1.822 7 4 "[** - + ]" 1
726 2 10 ASP HA 2 11 ARG H 2.750 2.200 3.300 2.771 2.599 2.965 . 0 0 "[ . ]" 1
727 2 10 ASP QB 2 11 ARG H 3.295 2.640 3.950 4.050 4.028 4.061 0.111 2 0 "[ . ]" 1
728 2 11 ARG H 2 11 ARG HB3 3.825 3.060 4.590 3.386 2.946 3.885 0.114 5 0 "[ . ]" 1
729 2 11 ARG H 2 11 ARG QG 2.925 2.340 3.510 3.498 2.363 4.267 0.757 5 4 "[-* + * ]" 1
730 2 11 ARG H 2 12 PHE H 3.885 2.930 4.400 4.261 3.875 4.475 0.075 9 0 "[ . ]" 1
731 2 11 ARG QG 2 12 PHE HA 3.640 2.910 4.370 4.643 3.813 5.845 1.475 6 3 "[ * .+ -]" 1
732 2 12 PHE H 2 12 PHE HA 3.535 2.830 4.240 2.959 2.844 3.004 . 0 0 "[ . ]" 1
733 2 12 PHE H 2 12 PHE QD 4.190 3.380 5.000 3.701 2.582 4.423 0.798 8 3 "[ * -. + ]" 1
734 2 12 PHE H 2 86 ARG H 4.190 3.380 5.000 4.336 3.268 5.422 0.422 8 0 "[ . ]" 1
735 2 12 PHE HA 2 12 PHE HB2 3.390 2.710 4.070 2.372 2.323 2.483 0.387 8 0 "[ . ]" 1
736 2 12 PHE HA 2 12 PHE HB3 3.435 2.750 4.120 2.835 2.398 3.028 0.352 2 0 "[ . ]" 1
737 2 12 PHE HA 2 12 PHE QD 3.675 2.940 4.410 3.134 2.753 3.732 0.187 5 0 "[ . ]" 1
738 2 12 PHE HA 2 13 SER H 3.015 2.410 3.620 2.185 2.108 2.319 0.302 1 0 "[ . ]" 1
739 2 12 PHE QD 2 13 SER HB2 4.785 3.830 5.740 5.651 4.744 6.398 0.658 9 1 "[ . +]" 1
740 2 12 PHE QD 2 13 SER HB3 4.905 3.920 5.890 5.469 5.025 5.831 . 0 0 "[ . ]" 1
741 2 12 PHE QD 2 14 VAL HB 4.755 3.800 5.710 5.361 4.587 5.918 0.208 7 0 "[ . ]" 1
742 2 12 PHE QD 2 14 VAL QG 4.225 3.380 5.070 3.571 2.158 5.363 1.222 8 2 "[ -. + ]" 1
743 2 12 PHE QD 2 83 ASP QB 4.725 3.810 5.670 4.512 3.891 5.102 . 0 0 "[ . ]" 1
744 2 12 PHE QD 2 85 PRO HA 4.440 3.550 5.330 5.408 4.595 5.978 0.648 5 2 "[- + ]" 1
745 2 12 PHE QE 2 35 ILE MD 4.595 3.680 5.510 2.877 2.206 4.404 1.474 5 8 "[* -*+****]" 1
746 2 12 PHE QE 2 70 ILE MD 4.285 3.430 5.140 3.176 1.985 3.995 1.445 9 4 "[- ** +]" 1
747 2 12 PHE QE 2 70 ILE MG 4.825 3.860 5.790 3.180 2.018 4.847 1.842 2 6 "[*+* -* *]" 1
748 2 12 PHE HZ 2 14 VAL QG 4.260 3.410 5.110 3.606 2.126 5.933 1.284 1 5 "[+** * - ]" 1
749 2 13 SER H 2 13 SER HB2 4.000 3.200 4.800 3.637 3.189 3.964 0.011 7 0 "[ . ]" 1
750 2 13 SER HA 2 13 SER HB2 2.925 2.340 3.510 2.411 2.378 2.433 . 0 0 "[ . ]" 1
751 2 13 SER HA 2 13 SER HB3 3.000 2.400 3.600 2.714 2.442 3.023 . 0 0 "[ . ]" 1
752 2 13 SER HA 2 14 VAL QG 3.400 . 5.000 3.522 3.285 3.929 . 0 0 "[ . ]" 1
753 2 13 SER HA 2 81 THR MG 4.390 3.510 5.270 3.847 3.628 4.137 . 0 0 "[ . ]" 1
754 2 13 SER HA 2 83 ASP HA 2.935 2.390 3.480 2.201 2.044 2.369 0.346 1 0 "[ . ]" 1
755 2 13 SER HA 2 83 ASP QB 3.200 2.640 3.760 2.145 2.016 2.350 0.624 8 5 "[ *-* *+ ]" 1
756 2 13 SER HB2 2 14 VAL H 3.615 2.890 4.340 3.234 2.230 4.245 0.660 9 1 "[ . +]" 1
757 2 13 SER HB2 2 81 THR MG 4.125 3.300 4.950 3.342 2.631 4.062 0.669 5 2 "[ +- ]" 1
758 2 13 SER HB2 2 83 ASP HA 3.490 2.770 4.160 4.188 4.128 4.252 0.092 2 0 "[ . ]" 1
759 2 13 SER HB2 2 83 ASP QB 3.545 2.800 4.170 2.491 2.354 2.680 0.446 7 0 "[ . ]" 1
760 2 13 SER HB3 2 14 VAL H 3.790 3.030 4.550 4.003 3.706 4.336 . 0 0 "[ . ]" 1
761 2 13 SER HB3 2 81 THR MG 4.325 3.460 5.190 4.127 3.816 4.577 . 0 0 "[ . ]" 1
762 2 13 SER HB3 2 83 ASP QB 3.615 2.840 4.170 3.200 2.515 3.696 0.325 5 0 "[ . ]" 1
763 2 14 VAL H 2 14 VAL QG 4.140 3.810 4.970 2.646 2.316 2.957 1.494 4 9 [-**+*****] 1
764 2 14 VAL H 2 15 ASN H 3.500 2.800 4.200 4.258 3.862 4.465 0.265 2 0 "[ . ]" 1
765 2 14 VAL H 2 81 THR HA 3.710 2.970 4.450 4.119 3.535 4.554 0.104 4 0 "[ . ]" 1
766 2 14 VAL H 2 82 VAL H 3.755 3.000 4.510 3.099 2.871 3.419 0.129 9 0 "[ . ]" 1
767 2 14 VAL HA 2 14 VAL HB 3.395 2.670 4.000 2.920 2.548 3.036 0.122 6 0 "[ . ]" 1
768 2 14 VAL HA 2 14 VAL QG 3.875 3.090 4.460 2.137 2.089 2.226 1.001 5 9 [****+***-] 1
769 2 14 VAL HA 2 15 ASN HB2 3.975 3.180 4.770 4.555 4.317 4.792 0.022 5 0 "[ . ]" 1
770 2 14 VAL HB 2 82 VAL HB 3.505 2.800 4.210 2.946 2.155 4.459 0.645 5 3 "[*- + ]" 1
771 2 14 VAL HB 2 82 VAL QG 3.970 3.180 4.760 3.392 1.921 4.524 1.259 3 1 "[ + . ]" 1
772 2 14 VAL HB 2 83 ASP QB 3.915 3.190 4.700 5.042 4.648 5.696 0.996 6 2 "[ .+ -]" 1
773 2 14 VAL QG 2 15 ASN H 3.685 2.950 4.420 2.695 2.059 3.206 0.891 9 3 "[-* . +]" 1
774 2 14 VAL QG 2 15 ASN HB2 4.125 3.580 4.950 4.574 4.179 5.017 0.067 5 0 "[ . ]" 1
775 2 14 VAL QG 2 16 LEU H 4.500 4.000 5.000 3.684 3.226 4.225 0.774 2 3 "[ + *. -]" 1
776 2 14 VAL QG 2 16 LEU QB 3.740 3.250 4.490 3.592 2.495 3.940 0.755 5 1 "[ + ]" 1
777 2 14 VAL QG 2 16 LEU HG 3.540 2.830 4.030 2.619 1.924 4.400 0.906 2 7 "[*+**.-** ]" 1
778 2 14 VAL QG 2 35 ILE MD 5.020 4.020 6.020 3.083 2.222 4.095 1.798 4 7 "[- *+**** ]" 1
779 2 14 VAL QG 2 59 TYR QD 4.500 3.600 5.400 3.072 2.663 4.282 0.937 5 7 "[ **+***-]" 1
780 2 14 VAL QG 2 59 TYR QE 4.565 3.650 5.480 2.849 2.252 4.137 1.398 9 7 "[* **- **+]" 1
781 2 14 VAL QG 2 82 VAL H 4.420 3.840 5.000 2.987 1.693 3.553 2.147 9 5 "[-* ** +]" 1
782 2 14 VAL QG 2 82 VAL QG 5.095 4.080 6.110 2.892 2.343 3.295 1.737 3 9 [**+-*****] 1
783 2 15 ASN H 2 15 ASN HA 3.545 2.840 4.250 2.980 2.945 3.004 . 0 0 "[ . ]" 1
784 2 15 ASN H 2 15 ASN HB2 3.135 2.510 3.760 2.732 2.430 3.226 0.080 6 0 "[ . ]" 1
785 2 15 ASN H 2 15 ASN HB3 3.300 2.640 3.960 3.089 2.495 3.742 0.145 3 0 "[ . ]" 1
786 2 15 ASN H 2 15 ASN HD21 4.180 3.360 5.000 4.358 3.061 5.316 0.316 9 0 "[ . ]" 1
787 2 15 ASN H 2 16 LEU H 3.955 3.090 4.630 4.295 4.040 4.537 . 0 0 "[ . ]" 1
788 2 15 ASN H 2 16 LEU QD 4.325 3.650 5.000 4.214 3.671 4.677 . 0 0 "[ . ]" 1
789 2 15 ASN HA 2 15 ASN HB2 3.325 2.660 3.990 2.712 2.458 3.027 0.202 9 0 "[ . ]" 1
790 2 15 ASN HA 2 15 ASN HB3 3.380 2.700 4.060 2.765 2.452 3.019 0.248 7 0 "[ . ]" 1
791 2 15 ASN HA 2 16 LEU H 3.085 2.470 3.700 2.154 2.108 2.279 0.362 6 0 "[ . ]" 1
792 2 15 ASN HA 2 16 LEU QD 4.075 3.260 4.890 4.026 3.000 4.593 0.260 9 0 "[ . ]" 1
793 2 15 ASN HA 2 81 THR HA 3.150 2.490 3.730 2.807 2.523 3.127 . 0 0 "[ . ]" 1
794 2 15 ASN HA 2 81 THR MG 4.135 3.310 4.960 3.507 3.119 3.856 0.191 4 0 "[ . ]" 1
795 2 15 ASN HA 2 82 VAL H 3.735 2.990 4.480 4.108 3.712 4.429 . 0 0 "[ . ]" 1
796 2 15 ASN HB2 2 16 LEU H 3.560 2.850 4.270 4.357 4.011 4.586 0.316 4 0 "[ . ]" 1
797 2 15 ASN HB3 2 16 LEU H 3.505 2.800 4.210 3.904 2.808 4.470 0.260 4 0 "[ . ]" 1
798 2 16 LEU H 2 16 LEU HA 3.540 2.830 4.250 2.983 2.894 3.007 . 0 0 "[ . ]" 1
799 2 16 LEU H 2 16 LEU QD 3.700 2.890 4.340 3.069 1.919 3.654 0.971 9 2 "[ - +]" 1
800 2 16 LEU H 2 17 ASP H 3.960 3.170 4.750 4.535 4.445 4.631 . 0 0 "[ . ]" 1
801 2 16 LEU H 2 80 LEU H 4.195 3.390 5.000 3.640 2.916 4.618 0.474 6 0 "[ . ]" 1
802 2 16 LEU HA 2 16 LEU QD 3.060 2.450 3.670 2.466 2.150 3.441 0.300 8 0 "[ . ]" 1
803 2 16 LEU HA 2 16 LEU HG 2.750 2.200 3.300 3.193 2.963 3.672 0.372 5 0 "[ . ]" 1
804 2 16 LEU QB 2 18 VAL QG 3.585 2.870 4.300 3.023 2.175 3.697 0.695 8 1 "[ . + ]" 1
805 2 16 LEU QD 2 17 ASP H 4.035 3.070 4.610 3.453 3.250 3.904 . 0 0 "[ . ]" 1
806 2 16 LEU QD 2 81 THR HA 4.400 3.520 5.280 4.003 2.930 4.975 0.590 5 1 "[ + ]" 1
807 2 16 LEU HG 2 17 ASP H 3.560 2.850 4.270 4.747 3.842 5.052 0.782 8 7 "[-***.**+ ]" 1
808 2 16 LEU HG 2 18 VAL QG 4.065 3.250 4.880 4.628 2.538 5.701 0.821 4 3 "[ +* - ]" 1
809 2 16 LEU HG 2 81 THR HA 4.450 3.560 5.340 4.461 3.696 5.437 0.097 9 0 "[ . ]" 1
810 2 17 ASP H 2 17 ASP HA 2.990 2.390 3.590 2.962 2.937 2.994 . 0 0 "[ . ]" 1
811 2 17 ASP H 2 17 ASP HB2 3.340 2.670 4.010 2.736 2.646 2.887 0.024 5 0 "[ . ]" 1
812 2 17 ASP H 2 17 ASP HB3 3.250 2.600 3.900 2.493 2.432 2.508 0.168 1 0 "[ . ]" 1
813 2 17 ASP HA 2 18 VAL H 3.525 2.820 4.230 2.127 2.111 2.157 0.709 9 9 [*******-+] 1
814 2 17 ASP HA 2 18 VAL QG 3.640 3.290 4.370 3.525 3.331 3.898 . 0 0 "[ . ]" 1
815 2 17 ASP HA 2 37 VAL QG 3.205 2.560 3.850 6.730 6.115 7.203 3.353 9 9 [**-*****+] 1
816 2 18 VAL H 2 18 VAL HB 2.825 2.260 3.390 3.461 2.518 3.949 0.559 5 2 "[ - + ]" 1
817 2 18 VAL H 2 18 VAL QG 3.675 2.940 4.250 2.378 2.019 2.911 0.921 9 6 "[ ** -* *+]" 1
818 2 18 VAL H 2 19 LYS H 3.315 2.790 3.840 2.502 1.853 4.309 0.937 7 5 "[ * *-+* ]" 1
819 2 18 VAL H 2 19 LYS HA 3.910 3.130 4.690 4.215 3.826 4.891 0.201 4 0 "[ . ]" 1
820 2 18 VAL H 2 78 GLY QA 3.260 2.610 3.910 3.859 3.268 4.911 1.001 3 1 "[ + . ]" 1
821 2 18 VAL HA 2 18 VAL QG 3.550 2.890 4.260 2.201 2.091 2.309 0.799 1 9 [+-*******] 1
822 2 18 VAL HB 2 20 HIS H 3.700 2.960 4.440 5.190 4.143 6.049 1.609 2 6 "[*+ -.*** ]" 1
823 2 18 VAL HB 2 21 PHE H 4.090 3.270 4.910 4.416 3.442 5.329 0.419 1 0 "[ . ]" 1
824 2 18 VAL QG 2 19 LYS H 3.735 2.990 4.480 3.386 2.904 3.699 0.086 4 0 "[ . ]" 1
825 2 18 VAL QG 2 20 HIS H 4.230 3.460 5.000 4.326 3.393 5.132 0.132 2 0 "[ . ]" 1
826 2 18 VAL QG 2 21 PHE H 4.100 3.280 4.920 3.754 2.375 4.617 0.905 4 1 "[ +. ]" 1
827 2 18 VAL QG 2 55 PHE QD 4.175 3.480 5.010 5.153 3.997 6.129 1.119 8 2 "[ .- + ]" 1
828 2 18 VAL QG 2 80 LEU HA 4.505 3.600 5.410 3.749 3.307 4.129 0.293 2 0 "[ . ]" 1
829 2 19 LYS H 2 19 LYS HA 3.355 2.680 4.030 2.858 2.704 2.994 . 0 0 "[ . ]" 1
830 2 19 LYS H 2 21 PHE QD 4.290 3.580 5.000 4.381 2.234 5.673 1.346 4 2 "[ +- ]" 1
831 2 19 LYS H 2 21 PHE QE 4.260 3.520 5.000 4.698 2.186 6.422 1.422 7 4 "[ *.-+* ]" 1
832 2 19 LYS QG 2 20 HIS H 3.900 3.120 4.680 3.591 2.554 4.558 0.566 2 1 "[ + . ]" 1
833 2 20 HIS H 2 20 HIS HA 3.465 2.770 4.160 2.802 2.305 2.985 0.465 4 0 "[ . ]" 1
834 2 20 HIS H 2 20 HIS QB 3.610 3.070 4.330 2.742 2.376 3.509 0.694 3 4 "[- + . * *]" 1
835 2 20 HIS H 2 21 PHE H 3.540 2.920 4.160 2.392 1.612 2.851 1.308 5 3 "[* + -]" 1
836 2 20 HIS H 2 21 PHE QD 4.460 3.920 5.000 3.762 2.287 4.929 1.633 3 4 "[* + - *]" 1
837 2 20 HIS H 2 78 GLY QA 3.875 3.100 4.650 4.652 3.864 4.911 0.261 3 0 "[ . ]" 1
838 2 20 HIS HA 2 20 HIS HD2 3.540 2.830 4.250 4.339 2.723 4.926 0.676 6 4 "[ * -.+ * ]" 1
839 2 20 HIS HA 2 21 PHE H 3.715 2.970 4.460 3.237 2.670 3.524 0.300 4 0 "[ . ]" 1
840 2 20 HIS HA 2 21 PHE QD 4.100 3.280 4.920 4.866 4.273 5.459 0.539 6 2 "[ .+ - ]" 1
841 2 20 HIS QB 2 20 HIS HD2 4.125 3.300 4.950 2.708 2.640 3.000 0.660 6 8 "[ *-**+***]" 1
842 2 20 HIS QB 2 21 PHE QB 4.195 3.360 5.030 4.663 3.680 5.376 0.346 6 0 "[ . ]" 1
843 2 20 HIS QB 2 21 PHE QD 4.290 3.430 5.150 3.503 2.009 4.673 1.421 5 2 "[- + ]" 1
844 2 20 HIS QB 2 41 HIS QB 3.840 3.460 4.610 3.627 2.812 5.388 0.778 3 2 "[ + . - ]" 1
845 2 20 HIS QB 2 41 HIS HD2 4.535 3.630 5.440 4.074 2.041 5.073 1.589 5 2 "[ + - ]" 1
846 2 21 PHE H 2 21 PHE QB 3.645 2.990 4.300 2.645 2.379 3.275 0.611 8 4 "[ * .*-+ ]" 1
847 2 21 PHE H 2 21 PHE QD 4.180 3.360 5.000 2.862 1.968 3.307 1.392 3 3 "[- + . *]" 1
848 2 21 PHE H 2 21 PHE QE 4.190 3.380 5.000 4.558 4.204 5.040 0.040 2 0 "[ . ]" 1
849 2 21 PHE H 2 22 SER H 4.120 3.280 4.920 4.541 4.389 4.672 . 0 0 "[ . ]" 1
850 2 21 PHE QB 2 22 SER H 3.785 3.030 4.540 2.442 2.021 2.810 1.009 5 4 "[* - + *]" 1
851 2 21 PHE QD 2 22 SER H 4.350 3.700 5.000 3.644 2.934 3.879 0.766 1 1 "[+ . ]" 1
852 2 21 PHE QD 2 23 PRO QB 4.510 3.610 5.410 7.712 6.368 8.360 2.950 9 9 [****-***+] 1
853 2 21 PHE QD 2 26 LEU HA 4.840 3.870 5.810 4.598 3.568 5.660 0.302 1 0 "[ . ]" 1
854 2 21 PHE QD 2 41 HIS HA 4.100 3.280 4.920 3.691 3.300 4.088 . 0 0 "[ . ]" 1
855 2 21 PHE QE 2 41 HIS HA 4.235 3.390 5.080 4.724 3.894 5.217 0.137 1 0 "[ . ]" 1
856 2 21 PHE QE 2 53 ARG H 4.450 3.900 5.000 5.301 3.981 6.633 1.633 5 3 "[* +- ]" 1
857 2 21 PHE HZ 2 39 GLY QA 4.005 3.200 4.810 4.636 2.931 6.376 1.566 4 1 "[ +. ]" 1
858 2 22 SER H 2 22 SER QB 3.365 2.690 4.040 2.410 2.262 2.546 0.428 5 0 "[ . ]" 1
859 2 22 SER H 2 25 GLU H 3.850 3.100 4.600 3.594 3.249 4.171 . 0 0 "[ . ]" 1
860 2 22 SER H 2 26 LEU H 3.880 3.100 4.660 4.318 3.865 4.874 0.214 4 0 "[ . ]" 1
861 2 22 SER H 2 26 LEU QD 4.470 3.940 5.000 3.972 2.732 5.231 1.208 9 2 "[ - . +]" 1
862 2 22 SER HA 2 22 SER QB 2.875 2.300 3.360 2.385 2.357 2.413 . 0 0 "[ . ]" 1
863 2 22 SER HA 2 23 PRO QB 3.585 2.870 4.300 4.683 4.556 4.789 0.489 1 0 "[ . ]" 1
864 2 22 SER QB 2 24 GLU H 3.350 2.680 4.020 2.387 2.081 2.536 0.599 5 1 "[ + ]" 1
865 2 22 SER QB 2 24 GLU QB 3.140 2.510 3.770 2.952 2.771 3.108 . 0 0 "[ . ]" 1
866 2 22 SER QB 2 24 GLU QG 3.455 2.760 4.150 3.764 3.356 4.080 . 0 0 "[ . ]" 1
867 2 22 SER QB 2 25 GLU H 3.735 2.990 4.480 2.599 2.249 3.101 0.741 9 4 "[ **- +]" 1
868 2 22 SER QB 2 26 LEU H 4.005 3.200 4.290 4.165 3.919 4.488 0.198 1 0 "[ . ]" 1
869 2 22 SER QB 2 26 LEU QD 4.350 3.480 5.220 4.713 4.059 5.259 0.039 1 0 "[ . ]" 1
870 2 23 PRO QB 2 26 LEU QD 3.550 2.840 4.260 3.992 3.001 4.720 0.460 2 0 "[ . ]" 1
871 2 23 PRO QD 2 25 GLU H 3.965 3.170 4.760 4.265 4.126 4.640 . 0 0 "[ . ]" 1
872 2 24 GLU H 2 24 GLU HA 3.060 2.450 3.670 2.929 2.857 2.980 . 0 0 "[ . ]" 1
873 2 24 GLU H 2 24 GLU QB 2.765 2.210 3.320 2.373 2.359 2.404 . 0 0 "[ . ]" 1
874 2 24 GLU H 2 24 GLU QG 2.815 2.250 3.380 2.478 2.297 2.647 . 0 0 "[ . ]" 1
875 2 24 GLU H 2 25 GLU H 3.285 2.590 3.890 2.389 2.140 2.661 0.450 5 0 "[ . ]" 1
876 2 24 GLU H 2 25 GLU QB 2.940 2.350 3.530 4.407 3.961 4.817 1.287 1 8 [+***.***-] 1
877 2 24 GLU H 2 25 GLU QG 3.790 3.030 4.550 4.417 4.025 5.891 1.341 5 1 "[ + ]" 1
878 2 24 GLU H 2 26 LEU H 3.645 2.750 4.120 3.720 3.632 3.827 . 0 0 "[ . ]" 1
879 2 24 GLU HA 2 25 GLU H 3.600 2.880 4.320 3.466 3.418 3.539 . 0 0 "[ . ]" 1
880 2 24 GLU HA 2 26 LEU H 3.075 2.460 3.690 4.071 3.841 4.365 0.675 2 1 "[ + . ]" 1
881 2 24 GLU QB 2 25 GLU H 3.480 2.780 4.180 2.973 2.708 3.112 0.072 1 0 "[ . ]" 1
882 2 24 GLU QB 2 26 LEU H 3.510 2.810 4.210 4.592 4.357 4.782 0.572 5 1 "[ + ]" 1
883 2 24 GLU QG 2 25 GLU H 3.290 2.630 3.950 4.257 4.196 4.300 0.350 7 0 "[ . ]" 1
884 2 25 GLU H 2 25 GLU HA 3.240 2.590 3.890 2.988 2.930 3.014 . 0 0 "[ . ]" 1
885 2 25 GLU H 2 26 LEU H 2.905 2.180 3.270 2.120 1.882 2.370 0.298 2 0 "[ . ]" 1
886 2 25 GLU H 2 26 LEU QB 3.840 3.070 4.610 4.003 3.590 4.764 0.154 5 0 "[ . ]" 1
887 2 25 GLU H 2 26 LEU QD 4.500 4.000 5.000 4.479 3.622 5.086 0.378 3 0 "[ . ]" 1
888 2 25 GLU QG 2 26 LEU H 3.210 2.570 3.850 4.294 3.842 4.378 0.528 9 4 "[ * -. * +]" 1
889 2 25 GLU QG 2 40 LYS H 4.000 3.200 4.800 5.132 3.373 5.683 0.883 1 4 "[+ .*- *]" 1
890 2 26 LEU H 2 26 LEU HA 3.260 2.610 3.910 2.953 2.888 2.980 . 0 0 "[ . ]" 1
891 2 26 LEU H 2 26 LEU QB 2.760 2.210 3.310 2.416 2.150 2.992 0.060 3 0 "[ . ]" 1
892 2 26 LEU H 2 26 LEU QD 3.770 3.020 4.130 3.420 2.684 3.857 0.336 3 0 "[ . ]" 1
893 2 26 LEU H 2 26 LEU HG 2.950 2.360 3.540 3.542 1.848 4.557 1.017 3 6 "[**+ -* * ]" 1
894 2 26 LEU H 2 27 LYS H 3.475 2.780 4.170 4.437 4.167 4.615 0.445 5 0 "[ . ]" 1
895 2 26 LEU HA 2 26 LEU QD 3.115 2.490 3.740 2.389 1.864 3.393 0.626 3 1 "[ + . ]" 1
896 2 26 LEU HA 2 27 LYS H 3.090 2.470 3.710 2.173 2.096 2.255 0.374 3 0 "[ . ]" 1
897 2 26 LEU HA 2 39 GLY QA 3.350 2.810 3.890 2.074 1.967 2.228 0.843 4 9 [**-+*****] 1
898 2 26 LEU QD 2 28 VAL HB 2.910 2.330 3.490 4.392 3.637 5.553 2.063 2 6 "[*+**. - *]" 1
899 2 26 LEU QD 2 39 GLY QA 4.335 3.630 5.040 2.375 1.953 3.577 1.677 3 7 "[*-+*.*** ]" 1
900 2 26 LEU QD 2 40 LYS H 4.185 3.640 5.000 3.285 2.532 4.395 1.108 4 3 "[ -+. * ]" 1
901 2 26 LEU HG 2 27 LYS H 3.625 2.900 4.350 4.276 3.448 5.047 0.697 7 2 "[ -. + ]" 1
902 2 27 LYS H 2 27 LYS QD 3.680 2.940 4.420 4.332 3.974 5.036 0.616 9 1 "[ . +]" 1
903 2 27 LYS H 2 27 LYS QG 3.550 2.840 4.260 3.050 2.523 4.222 0.317 1 0 "[ . ]" 1
904 2 27 LYS HA 2 27 LYS QB 2.665 2.130 3.200 2.372 2.359 2.389 . 0 0 "[ . ]" 1
905 2 27 LYS HA 2 28 VAL H 2.765 2.210 3.320 2.354 2.112 2.753 0.098 9 0 "[ . ]" 1
906 2 27 LYS QB 2 27 LYS QG 2.650 2.120 3.180 2.094 2.088 2.102 0.032 3 0 "[ . ]" 1
907 2 27 LYS QB 2 38 HIS QB 3.350 2.680 3.530 2.375 2.033 3.798 0.647 3 6 "[* +-.*** ]" 1
908 2 28 VAL H 2 28 VAL HB 3.025 2.420 3.630 2.598 2.435 3.330 . 0 0 "[ . ]" 1
909 2 28 VAL H 2 28 VAL QG 3.700 2.960 4.280 2.224 1.970 2.777 0.990 7 7 "[* ****+ -]" 1
910 2 28 VAL HA 2 29 LYS H 2.980 2.380 3.580 2.148 2.119 2.195 0.261 7 0 "[ . ]" 1
911 2 28 VAL HB 2 29 LYS H 3.190 2.550 3.830 4.346 4.195 4.459 0.629 1 7 "[+** **- *]" 1
912 2 29 LYS H 2 29 LYS QD 3.750 2.500 3.750 4.505 4.264 4.909 1.159 4 9 [**-+*****] 1
913 2 29 LYS H 2 29 LYS QG 3.245 2.600 3.890 3.413 2.963 4.157 0.267 4 0 "[ . ]" 1
914 2 29 LYS H 2 30 VAL H 3.680 2.820 4.230 4.465 4.280 4.529 0.299 1 0 "[ . ]" 1
915 2 29 LYS H 2 36 GLU H 3.675 2.940 4.410 4.469 4.149 4.797 0.387 9 0 "[ . ]" 1
916 2 29 LYS H 2 37 VAL HA 3.360 2.690 4.030 2.579 2.216 3.286 0.474 5 0 "[ . ]" 1
917 2 29 LYS H 2 37 VAL QG 3.445 2.810 4.130 3.534 3.103 3.959 . 0 0 "[ . ]" 1
918 2 29 LYS H 2 38 HIS H 3.925 3.140 4.710 3.017 2.615 3.657 0.525 7 1 "[ . + ]" 1
919 2 29 LYS HA 2 30 VAL H 2.670 2.140 3.200 2.349 2.127 2.502 0.013 8 0 "[ . ]" 1
920 2 29 LYS QB 2 38 HIS QB 3.350 2.750 4.020 3.915 3.413 4.805 0.785 2 1 "[ + . ]" 1
921 2 29 LYS QG 2 30 VAL H 3.060 2.450 3.670 3.257 2.040 3.832 0.410 4 0 "[ . ]" 1
922 2 30 VAL H 2 30 VAL HA 3.615 2.890 4.340 2.970 2.904 2.988 . 0 0 "[ . ]" 1
923 2 30 VAL H 2 30 VAL QG 3.050 2.440 3.660 2.167 1.988 2.737 0.452 5 0 "[ . ]" 1
924 2 30 VAL HA 2 31 LEU H 2.775 2.220 3.330 2.290 2.124 2.382 0.096 2 0 "[ . ]" 1
925 2 30 VAL HA 2 35 ILE HA 3.075 2.460 3.690 2.074 1.878 2.393 0.582 5 2 "[ - + ]" 1
926 2 30 VAL HA 2 36 GLU H 3.890 3.110 4.670 2.239 1.949 3.000 1.161 4 8 "[***+*** -]" 1
927 2 30 VAL HB 2 31 LEU H 3.400 2.720 4.080 2.932 2.373 4.453 0.373 8 0 "[ . ]" 1
928 2 30 VAL HB 2 34 VAL H 2.740 2.190 3.290 4.913 3.714 7.139 3.849 8 8 "[-* ****+*]" 1
929 2 30 VAL QG 2 36 GLU H 3.435 2.750 4.120 3.620 3.384 4.122 0.002 8 0 "[ . ]" 1
930 2 31 LEU H 2 31 LEU HA 2.900 2.320 3.480 2.967 2.915 3.006 . 0 0 "[ . ]" 1
931 2 31 LEU H 2 31 LEU QD 2.925 2.340 3.510 3.880 3.591 4.049 0.539 9 5 "[ *-** +]" 1
932 2 31 LEU H 2 32 GLY H 4.075 3.260 4.890 3.382 3.050 3.989 0.210 9 0 "[ . ]" 1
933 2 31 LEU H 2 34 VAL H 3.520 2.730 4.100 3.308 2.825 4.206 0.106 8 0 "[ . ]" 1
934 2 31 LEU H 2 36 GLU H 3.665 2.930 4.400 3.010 1.853 3.783 1.077 8 2 "[ - . + ]" 1
935 2 31 LEU H 2 61 ILE MD 4.195 3.390 5.000 4.673 4.197 5.049 0.049 6 0 "[ . ]" 1
936 2 31 LEU HA 2 34 VAL HB 3.485 2.790 4.180 6.267 4.073 6.979 2.799 5 7 "[ ***+ **-]" 1
937 2 31 LEU QB 2 32 GLY QA 3.270 2.880 3.920 4.427 4.107 4.601 0.681 2 7 "[ + *****-]" 1
938 2 31 LEU QB 2 34 VAL HB 3.195 2.560 3.830 3.764 1.924 4.340 0.636 1 4 "[+ *-.* ]" 1
939 2 31 LEU QD 2 32 GLY H 3.250 2.600 3.900 3.797 3.480 4.171 0.271 3 0 "[ . ]" 1
940 2 31 LEU QD 2 32 GLY QA 3.790 3.320 4.550 4.193 3.835 4.809 0.259 3 0 "[ . ]" 1
941 2 31 LEU HG 2 32 GLY H 3.330 2.660 4.000 4.542 4.204 5.123 1.123 1 2 "[+ - . ]" 1
942 2 32 GLY H 2 32 GLY QA 2.775 2.220 3.330 2.251 2.225 2.279 . 0 0 "[ . ]" 1
943 2 32 GLY H 2 33 ASP H 3.145 2.510 3.770 4.331 4.147 4.408 0.638 8 8 "[** -***+*]" 1
944 2 32 GLY H 2 34 VAL H 3.810 3.050 4.570 4.073 3.722 4.280 . 0 0 "[ . ]" 1
945 2 32 GLY QA 2 33 ASP H 2.540 2.120 3.050 2.157 2.138 2.224 . 0 0 "[ . ]" 1
946 2 32 GLY QA 2 34 VAL H 3.410 2.730 3.850 3.502 3.279 3.640 . 0 0 "[ . ]" 1
947 2 33 ASP H 2 33 ASP HA 2.825 2.260 3.390 2.977 2.916 3.015 . 0 0 "[ . ]" 1
948 2 33 ASP H 2 33 ASP QB 3.235 2.660 3.680 2.628 2.346 2.963 0.314 5 0 "[ . ]" 1
949 2 33 ASP H 2 34 VAL H 2.585 2.090 3.080 2.498 2.079 2.711 0.011 6 0 "[ . ]" 1
950 2 33 ASP H 2 60 ARG QG 3.355 2.680 4.030 5.620 4.111 6.543 2.513 3 8 "[-*+** ***]" 1
951 2 33 ASP H 2 61 ILE MD 4.175 3.350 5.000 4.922 4.483 5.244 0.244 4 0 "[ . ]" 1
952 2 33 ASP HA 2 33 ASP QB 2.640 2.110 3.170 2.273 2.174 2.403 . 0 0 "[ . ]" 1
953 2 33 ASP HA 2 34 VAL H 2.925 2.340 3.510 3.181 2.957 3.417 . 0 0 "[ . ]" 1
954 2 33 ASP HA 2 61 ILE H 3.275 2.620 3.930 4.007 3.688 4.442 0.512 3 1 "[ + . ]" 1
955 2 33 ASP QB 2 34 VAL H 3.545 2.840 4.250 3.686 3.116 4.052 . 0 0 "[ . ]" 1
956 2 34 VAL H 2 35 ILE H 3.740 3.120 4.360 4.502 4.454 4.650 0.290 6 0 "[ . ]" 1
957 2 34 VAL H 2 61 ILE MD 3.750 3.000 4.500 3.784 3.093 4.677 0.177 6 0 "[ . ]" 1
958 2 34 VAL HA 2 34 VAL HB 3.185 2.570 3.800 2.558 2.422 2.981 0.148 3 0 "[ . ]" 1
959 2 34 VAL HA 2 34 VAL QG 3.160 2.530 3.790 2.279 2.112 2.366 0.418 1 0 "[ . ]" 1
960 2 34 VAL HA 2 35 ILE MD 4.415 3.530 5.300 4.745 4.460 5.015 . 0 0 "[ . ]" 1
961 2 34 VAL HA 2 60 ARG HA 3.025 2.440 3.610 2.002 1.824 2.259 0.616 5 4 "[ -+* * ]" 1
962 2 34 VAL HA 2 60 ARG QD 4.040 3.230 4.850 4.014 2.934 4.891 0.296 1 0 "[ . ]" 1
963 2 34 VAL HA 2 61 ILE HB 3.375 2.700 4.050 4.420 3.820 5.206 1.156 6 3 "[*- .+ ]" 1
964 2 34 VAL HA 2 61 ILE MD 4.130 3.220 4.840 3.845 3.440 4.674 . 0 0 "[ . ]" 1
965 2 34 VAL HA 2 61 ILE QG 3.615 2.890 4.340 2.968 2.455 3.953 0.435 8 0 "[ . ]" 1
966 2 34 VAL QG 2 58 LYS HA 3.740 2.990 4.490 3.365 2.240 4.456 0.750 6 1 "[ .+ ]" 1
967 2 34 VAL QG 2 60 ARG QB 4.240 3.390 5.090 2.856 2.224 3.692 1.166 5 6 "[ **+* *-]" 1
968 2 35 ILE H 2 35 ILE HB 3.570 2.860 4.280 2.667 2.593 2.710 0.267 2 0 "[ . ]" 1
969 2 35 ILE H 2 35 ILE MD 3.300 2.640 3.960 3.944 3.834 3.982 0.022 7 0 "[ . ]" 1
970 2 35 ILE H 2 59 TYR H 3.915 3.280 4.550 2.942 2.473 3.492 0.807 2 3 "[ + . *-]" 1
971 2 35 ILE H 2 59 TYR HA 3.160 2.530 3.790 4.202 3.970 4.493 0.703 1 3 "[+ *.- ]" 1
972 2 35 ILE H 2 60 ARG QD 3.935 3.150 4.720 5.137 3.461 6.154 1.434 5 5 "[ **+- * ]" 1
973 2 35 ILE H 2 61 ILE H 4.000 3.200 4.800 4.312 4.042 4.777 . 0 0 "[ . ]" 1
974 2 35 ILE H 2 61 ILE MD 4.220 3.440 5.000 4.468 4.156 4.909 . 0 0 "[ . ]" 1
975 2 35 ILE HB 2 35 ILE MD 3.415 2.730 4.100 2.354 2.271 2.427 0.459 8 0 "[ . ]" 1
976 2 35 ILE HB 2 36 GLU H 3.615 2.890 4.340 4.473 4.443 4.504 0.164 6 0 "[ . ]" 1
977 2 35 ILE HB 2 59 TYR H 3.675 2.940 4.410 3.073 2.851 3.235 0.089 7 0 "[ . ]" 1
978 2 35 ILE MD 2 59 TYR QB 3.755 3.000 4.510 3.180 2.556 4.680 0.444 4 0 "[ . ]" 1
979 2 35 ILE MD 2 59 TYR QD 4.775 3.820 5.730 3.406 2.417 4.837 1.403 2 5 "[-+**. * ]" 1
980 2 35 ILE MD 2 61 ILE H 4.215 3.430 5.000 4.641 4.114 4.985 . 0 0 "[ . ]" 1
981 2 35 ILE MG 2 36 GLU HA 3.625 2.900 4.350 4.285 3.976 4.538 0.188 9 0 "[ . ]" 1
982 2 35 ILE MG 2 59 TYR QD 4.115 3.290 4.940 3.989 3.285 4.560 0.005 5 0 "[ . ]" 1
983 2 35 ILE MG 2 59 TYR QE 4.610 3.690 5.530 5.127 2.678 6.016 1.012 1 1 "[+ . ]" 1
984 2 36 GLU H 2 37 VAL H 3.930 3.140 4.720 4.192 4.017 4.606 . 0 0 "[ . ]" 1
985 2 36 GLU HA 2 37 VAL H 3.400 2.720 4.080 2.240 2.131 2.367 0.589 8 4 "[ * .- +*]" 1
986 2 36 GLU HA 2 58 LYS HA 3.370 2.700 4.040 2.127 1.952 2.472 0.748 1 7 "[+ **-** *]" 1
987 2 36 GLU QB 2 37 VAL QG 3.550 2.840 4.260 4.690 4.479 4.809 0.549 5 1 "[ + ]" 1
988 2 36 GLU QB 2 58 LYS HA 3.385 2.710 4.060 3.505 2.959 4.120 0.060 4 0 "[ . ]" 1
989 2 36 GLU QB 2 58 LYS QG 3.535 2.830 4.240 2.627 2.008 3.960 0.822 9 5 "[** -* +]" 1
990 2 37 VAL H 2 37 VAL HB 3.190 2.550 3.830 2.527 2.400 2.799 0.150 5 0 "[ . ]" 1
991 2 37 VAL H 2 37 VAL QG 3.985 3.190 4.780 2.257 2.035 2.685 1.155 4 9 [***+***-*] 1
992 2 37 VAL H 2 38 HIS H 3.820 3.060 4.580 4.094 3.748 4.420 . 0 0 "[ . ]" 1
993 2 37 VAL H 2 57 ARG H 4.075 3.260 4.890 3.547 2.695 4.099 0.565 8 1 "[ . + ]" 1
994 2 37 VAL HA 2 38 HIS H 3.075 2.460 3.690 2.260 2.117 2.400 0.343 2 0 "[ . ]" 1
995 2 37 VAL HB 2 38 HIS H 3.760 3.010 4.510 4.444 4.285 4.502 . 0 0 "[ . ]" 1
996 2 37 VAL QG 2 38 HIS H 4.170 3.340 4.400 3.288 2.782 3.515 0.558 2 1 "[ + . ]" 1
997 2 37 VAL QG 2 39 GLY H 4.445 3.890 5.000 3.527 2.702 4.888 1.188 5 5 "[- * +* * ]" 1
998 2 37 VAL QG 2 55 PHE QB 3.310 2.650 3.970 4.461 3.351 5.454 1.484 9 4 "[ ** - +]" 1
999 2 37 VAL QG 2 57 ARG H 4.245 3.490 5.000 3.790 3.410 4.432 0.080 8 0 "[ . ]" 1
1000 2 38 HIS H 2 38 HIS QB 3.490 2.860 4.190 2.383 2.240 3.135 0.620 1 8 "[+ *****-*]" 1
1001 2 38 HIS HA 2 38 HIS HD2 3.225 2.580 3.870 3.195 2.352 3.992 0.228 9 0 "[ . ]" 1
1002 2 38 HIS HA 2 39 GLY H 3.930 3.140 4.720 2.352 2.128 2.513 1.012 2 9 [*+*****-*] 1
1003 2 38 HIS HA 2 56 HIS HA 3.135 2.510 3.760 2.249 1.967 2.721 0.543 9 2 "[ - +]" 1
1004 2 38 HIS HA 2 56 HIS QB 3.250 2.600 3.900 3.875 2.692 4.679 0.779 3 2 "[- + . ]" 1
1005 2 38 HIS HA 2 56 HIS HD2 3.890 3.110 4.670 4.481 3.579 5.511 0.841 9 1 "[ . +]" 1
1006 2 38 HIS HA 2 57 ARG H 3.450 2.760 4.140 3.463 2.766 3.891 . 0 0 "[ . ]" 1
1007 2 38 HIS QB 2 38 HIS HD2 3.970 3.180 4.760 3.001 2.622 3.323 0.558 1 3 "[+ -. * ]" 1
1008 2 38 HIS QB 2 39 GLY H 3.850 3.240 4.620 3.836 3.132 4.072 0.108 2 0 "[ . ]" 1
1009 2 38 HIS QB 2 56 HIS HA 3.775 3.210 4.530 3.152 2.199 3.646 1.011 2 1 "[ + . ]" 1
1010 2 38 HIS HD2 2 56 HIS HA 3.385 2.710 4.060 3.933 3.197 4.981 0.921 2 1 "[ + . ]" 1
1011 2 39 GLY H 2 55 PHE H 3.860 3.090 4.630 3.509 2.734 4.228 0.356 2 0 "[ . ]" 1
1012 2 39 GLY H 2 55 PHE QE 4.210 3.420 5.000 4.805 2.519 6.269 1.269 6 5 "[-* *+ * ]" 1
1013 2 39 GLY QA 2 40 LYS H 3.185 2.550 3.820 2.253 2.195 2.281 0.355 3 0 "[ . ]" 1
1014 2 39 GLY QA 2 40 LYS QB 4.125 3.300 4.950 3.845 3.587 3.955 . 0 0 "[ . ]" 1
1015 2 39 GLY QA 2 55 PHE H 3.785 3.030 4.540 3.982 3.635 4.238 . 0 0 "[ . ]" 1
1016 2 40 LYS H 2 40 LYS HA 3.450 2.760 4.140 2.848 2.790 2.953 . 0 0 "[ . ]" 1
1017 2 40 LYS H 2 40 LYS QG 3.900 3.120 4.680 3.308 2.643 4.282 0.477 4 0 "[ . ]" 1
1018 2 40 LYS H 2 41 HIS H 3.850 3.080 4.620 4.169 3.897 4.374 . 0 0 "[ . ]" 1
1019 2 40 LYS H 2 55 PHE QD 4.215 3.430 5.000 4.448 3.296 5.507 0.507 9 1 "[ . +]" 1
1020 2 40 LYS H 2 55 PHE QE 4.220 3.440 5.000 4.909 3.948 6.899 1.899 7 1 "[ . + ]" 1
1021 2 40 LYS HA 2 40 LYS QD 2.985 2.390 3.580 4.163 3.949 4.269 0.689 5 6 "[ *+-***]" 1
1022 2 40 LYS HA 2 54 GLU HA 3.390 2.720 4.060 2.444 1.893 3.670 0.827 3 3 "[* + - ]" 1
1023 2 40 LYS HA 2 55 PHE H 3.880 3.100 4.660 3.226 2.819 3.589 0.281 5 0 "[ . ]" 1
1024 2 40 LYS HA 2 55 PHE QD 4.270 3.420 5.120 3.439 2.214 5.200 1.206 6 3 "[ - .+ * ]" 1
1025 2 40 LYS QD 2 54 GLU HA 3.155 2.520 3.790 3.677 2.992 3.944 0.154 9 0 "[ . ]" 1
1026 2 40 LYS QD 2 55 PHE H 4.150 3.320 4.980 4.829 4.430 5.187 0.207 4 0 "[ . ]" 1
1027 2 40 LYS QG 2 53 ARG H 3.900 3.120 4.680 5.273 4.191 6.406 1.726 9 6 "[ ****-+]" 1
1028 2 40 LYS QG 2 54 GLU HA 3.375 2.700 4.050 3.591 2.566 4.141 0.134 2 0 "[ . ]" 1
1029 2 41 HIS H 2 53 ARG H 3.895 3.110 4.670 3.041 2.719 3.376 0.391 1 0 "[ . ]" 1
1030 2 41 HIS H 2 53 ARG QB 3.700 2.960 4.440 3.345 2.241 4.389 0.719 9 1 "[ . +]" 1
1031 2 41 HIS HA 2 41 HIS HD2 4.135 3.310 4.960 3.258 2.389 4.533 0.921 6 5 "[**- .+ *]" 1
1032 2 41 HIS HA 2 42 GLU H 3.225 2.580 3.870 2.173 2.110 2.334 0.470 2 0 "[ . ]" 1
1033 2 41 HIS QB 2 42 GLU H 3.690 2.950 4.430 3.629 2.581 3.970 0.369 3 0 "[ . ]" 1
1034 2 41 HIS QB 2 51 ILE MD 4.090 3.270 4.910 4.571 2.916 6.022 1.112 4 1 "[ +. ]" 1
1035 2 41 HIS HE1 2 51 ILE MD 3.610 2.890 4.330 5.729 2.787 7.188 2.858 5 7 "[** *+* -*]" 1
1036 2 41 HIS HE1 2 52 SER HA 3.510 2.810 4.210 6.899 5.510 8.110 3.900 3 9 [**+***-**] 1
1037 2 42 GLU H 2 42 GLU HA 3.525 2.820 4.230 2.937 2.862 3.003 . 0 0 "[ . ]" 1
1038 2 42 GLU H 2 42 GLU QB 3.265 2.610 3.920 2.478 2.280 2.856 0.330 8 0 "[ . ]" 1
1039 2 42 GLU H 2 42 GLU QG 3.370 2.580 3.880 2.882 2.302 4.185 0.305 3 0 "[ . ]" 1
1040 2 42 GLU H 2 44 ARG QD 3.850 3.080 4.620 5.506 4.132 6.036 1.416 9 7 "[** -** *+]" 1
1041 2 42 GLU HA 2 42 GLU QG 2.450 . 2.940 2.416 2.368 2.468 . 0 0 "[ . ]" 1
1042 2 42 GLU HA 2 43 GLU H 3.050 2.440 3.660 2.460 2.125 3.577 0.315 3 0 "[ . ]" 1
1043 2 42 GLU HA 2 53 ARG H 3.285 2.630 3.940 3.820 3.235 4.223 0.283 3 0 "[ . ]" 1
1044 2 42 GLU QB 2 52 SER QB 3.140 2.590 3.770 3.546 2.997 3.815 0.045 1 0 "[ . ]" 1
1045 2 42 GLU QG 2 43 GLU H 3.455 2.570 3.860 3.574 2.379 4.022 0.191 8 0 "[ . ]" 1
1046 2 42 GLU QG 2 52 SER QB 3.625 2.900 4.350 3.325 2.068 4.176 0.832 8 1 "[ . + ]" 1
1047 2 43 GLU H 2 43 GLU QB 3.275 2.620 3.930 3.174 2.394 3.414 0.226 2 0 "[ . ]" 1
1048 2 43 GLU H 2 52 SER QB 3.675 3.120 4.410 2.814 2.070 4.934 1.050 7 7 "[ ***.*+*-]" 1
1049 2 43 GLU QB 2 51 ILE MD 4.575 3.660 5.490 7.245 5.864 7.789 2.299 5 7 "[**- +** *]" 1
1050 2 44 ARG H 2 44 ARG QB 3.265 2.610 3.920 2.328 2.244 2.442 0.366 5 0 "[ . ]" 1
1051 2 44 ARG H 2 44 ARG QD 3.850 3.080 4.620 4.476 4.307 4.831 0.211 4 0 "[ . ]" 1
1052 2 44 ARG H 2 44 ARG QG 3.490 2.900 4.080 4.043 3.984 4.091 0.011 3 0 "[ . ]" 1
1053 2 44 ARG H 2 45 GLN H 3.235 2.590 3.880 4.035 3.657 4.336 0.456 9 0 "[ . ]" 1
1054 2 44 ARG H 2 52 SER QB 3.175 2.540 3.810 4.094 3.563 4.480 0.670 3 2 "[ -+ . ]" 1
1055 2 44 ARG HA 2 44 ARG QB 2.670 2.200 3.140 2.338 2.300 2.371 . 0 0 "[ . ]" 1
1056 2 44 ARG HA 2 44 ARG QG 3.190 2.550 3.830 2.477 2.395 2.569 0.155 5 0 "[ . ]" 1
1057 2 44 ARG HA 2 50 PHE QD 3.935 3.150 4.720 4.320 3.393 4.991 0.271 8 0 "[ . ]" 1
1058 2 44 ARG HA 2 50 PHE QE 4.350 3.480 5.220 5.851 4.518 6.920 1.700 8 5 "[ * -**+ ]" 1
1059 2 44 ARG QB 2 45 GLN H 2.990 2.390 3.590 3.992 3.909 4.037 0.447 4 0 "[ . ]" 1
1060 2 44 ARG QB 2 46 ASP H 3.305 2.640 3.890 5.424 5.044 5.909 2.019 1 9 [+**-*****] 1
1061 2 44 ARG QB 2 50 PHE HA 3.715 2.970 4.460 4.333 3.811 4.638 0.178 5 0 "[ . ]" 1
1062 2 44 ARG QB 2 50 PHE QD 3.875 3.390 4.650 4.323 3.931 4.690 0.040 3 0 "[ . ]" 1
1063 2 44 ARG QB 2 51 ILE MG 3.735 2.990 4.480 3.991 3.454 4.210 . 0 0 "[ . ]" 1
1064 2 44 ARG QD 2 46 ASP H 3.815 3.050 4.580 6.287 4.818 6.920 2.340 7 8 "[** ***+-*]" 1
1065 2 44 ARG QD 2 51 ILE HB 3.035 2.430 3.640 4.644 3.645 6.331 2.691 7 8 "[-** **+**]" 1
1066 2 44 ARG QD 2 51 ILE MD 4.265 3.410 4.910 2.567 2.064 4.198 1.346 9 7 "[*** ** -+]" 1
1067 2 44 ARG QD 2 51 ILE MG 3.805 3.040 4.570 4.474 3.832 6.044 1.474 7 1 "[ . + ]" 1
1068 2 44 ARG QG 2 45 GLN H 3.100 2.140 3.210 3.610 3.218 3.915 0.705 4 4 "[ - +* * ]" 1
1069 2 44 ARG QG 2 51 ILE MD 3.310 2.650 3.970 3.137 2.523 3.760 0.127 7 0 "[ . ]" 1
1070 2 45 GLN H 2 46 ASP H 4.035 3.230 4.840 4.531 4.408 4.642 . 0 0 "[ . ]" 1
1071 2 45 GLN HA 2 45 GLN QB 3.075 2.460 3.690 2.336 2.309 2.382 0.151 2 0 "[ . ]" 1
1072 2 45 GLN HA 2 45 GLN QG 2.510 2.010 3.010 2.836 2.371 2.996 . 0 0 "[ . ]" 1
1073 2 45 GLN HA 2 46 ASP H 3.410 2.730 4.090 2.135 2.095 2.175 0.635 8 9 [-******+*] 1
1074 2 45 GLN HA 2 50 PHE H 3.315 2.650 3.980 4.390 4.065 4.863 0.883 9 2 "[ .- +]" 1
1075 2 45 GLN HA 2 50 PHE HA 2.985 2.390 3.580 2.402 2.057 2.614 0.333 2 0 "[ . ]" 1
1076 2 45 GLN HA 2 50 PHE QD 3.625 2.900 4.350 3.908 3.251 4.417 0.067 2 0 "[ . ]" 1
1077 2 45 GLN HA 2 50 PHE QE 4.050 3.240 4.860 5.357 3.800 6.476 1.616 2 5 "[ + -*** ]" 1
1078 2 46 ASP H 2 46 ASP HA 2.915 2.330 3.500 2.970 2.927 3.013 . 0 0 "[ . ]" 1
1079 2 46 ASP H 2 46 ASP QB 3.810 3.050 4.570 2.932 2.489 3.241 0.561 6 1 "[ .+ ]" 1
1080 2 46 ASP H 2 48 HIS H 4.090 3.270 4.910 4.152 3.588 4.733 . 0 0 "[ . ]" 1
1081 2 46 ASP H 2 49 GLY H 3.420 2.530 3.800 3.788 2.801 4.497 0.697 2 4 "[-+ . ** ]" 1
1082 2 46 ASP H 2 51 ILE H 4.185 3.370 5.000 4.187 3.719 4.794 . 0 0 "[ . ]" 1
1083 2 46 ASP H 2 51 ILE QG 3.590 2.870 4.310 4.561 4.155 4.770 0.460 5 0 "[ . ]" 1
1084 2 46 ASP H 2 51 ILE MG 4.350 3.700 5.000 4.398 3.239 6.268 1.268 4 1 "[ +. ]" 1
1085 2 46 ASP HA 2 48 HIS H 3.865 3.090 4.640 4.617 4.226 5.411 0.771 8 2 "[ -. + ]" 1
1086 2 46 ASP HA 2 48 HIS HA 4.015 3.210 4.820 6.978 6.757 7.143 2.323 3 9 [**+*-****] 1
1087 2 46 ASP QB 2 47 GLU H 3.600 2.880 4.320 2.022 1.731 2.888 1.149 8 7 "[*-**. *+*]" 1
1088 2 46 ASP QB 2 48 HIS H 4.220 3.440 5.000 3.120 2.095 4.297 1.345 6 3 "[ * -+ ]" 1
1089 2 47 GLU H 2 48 HIS H 3.800 3.390 4.210 2.729 2.329 3.251 1.061 6 7 "[*** -+* *]" 1
1090 2 47 GLU HA 2 48 HIS H 3.605 2.880 4.330 3.500 3.425 3.585 . 0 0 "[ . ]" 1
1091 2 48 HIS H 2 48 HIS HA 3.465 2.770 4.160 2.978 2.945 3.010 . 0 0 "[ . ]" 1
1092 2 48 HIS H 2 48 HIS HB2 3.575 2.860 4.290 2.675 2.381 3.877 0.479 3 0 "[ . ]" 1
1093 2 48 HIS H 2 48 HIS HB3 3.610 2.890 4.330 3.689 3.429 3.842 . 0 0 "[ . ]" 1
1094 2 48 HIS H 2 48 HIS HD2 4.190 3.380 5.000 4.071 3.178 5.469 0.469 2 0 "[ . ]" 1
1095 2 48 HIS H 2 49 GLY H 2.985 2.540 3.430 3.213 2.033 3.902 0.507 6 1 "[ .+ ]" 1
1096 2 48 HIS H 2 51 ILE MG 4.500 4.000 5.000 4.208 3.494 4.853 0.506 8 1 "[ . + ]" 1
1097 2 48 HIS HA 2 48 HIS HB2 3.250 2.250 3.380 2.956 2.520 3.031 . 0 0 "[ . ]" 1
1098 2 48 HIS HA 2 48 HIS HB3 3.100 2.480 3.720 2.468 2.368 2.539 0.112 5 0 "[ . ]" 1
1099 2 48 HIS HA 2 49 GLY H 3.390 2.710 4.070 2.737 2.183 3.573 0.527 1 1 "[+ . ]" 1
1100 2 48 HIS HB2 2 49 GLY H 3.695 2.960 4.430 3.823 2.331 4.516 0.629 3 1 "[ + . ]" 1
1101 2 48 HIS HB2 2 51 ILE MG 3.400 . 5.000 3.868 2.638 4.677 . 0 0 "[ . ]" 1
1102 2 48 HIS HB3 2 49 GLY H 3.530 2.820 4.240 4.072 3.311 4.458 0.218 1 0 "[ . ]" 1
1103 2 48 HIS HB3 2 51 ILE MG 3.400 . 5.000 4.843 3.626 5.723 0.723 4 1 "[ +. ]" 1
1104 2 49 GLY H 2 50 PHE H 3.870 2.890 4.340 4.356 3.732 4.654 0.314 1 0 "[ . ]" 1
1105 2 49 GLY H 2 51 ILE MG 4.360 3.720 5.000 5.014 3.020 7.183 2.183 4 5 "[-**+. * ]" 1
1106 2 49 GLY QA 2 50 PHE H 3.390 2.990 4.070 2.274 2.088 3.320 0.902 8 8 [**-*.**+*] 1
1107 2 50 PHE H 2 50 PHE HA 3.725 2.980 4.470 2.942 2.865 2.988 0.115 6 0 "[ . ]" 1
1108 2 50 PHE H 2 50 PHE QB 3.875 3.100 4.630 2.720 2.275 3.271 0.825 1 5 "[+ *** -]" 1
1109 2 50 PHE H 2 50 PHE QD 4.320 3.640 5.000 2.888 2.152 3.450 1.488 5 7 "[****+ *- ]" 1
1110 2 50 PHE H 2 51 ILE H 4.060 3.250 4.870 4.416 4.191 4.662 . 0 0 "[ . ]" 1
1111 2 50 PHE HA 2 50 PHE QD 3.810 3.050 4.570 3.267 2.660 3.716 0.390 3 0 "[ . ]" 1
1112 2 50 PHE HA 2 50 PHE QE 4.240 3.390 5.090 5.126 4.473 5.643 0.553 8 4 "[ - ** + ]" 1
1113 2 50 PHE HA 2 51 ILE MD 4.200 3.360 5.040 4.908 2.677 5.558 0.683 4 2 "[- +. ]" 1
1114 2 50 PHE QB 2 50 PHE QE 4.660 3.950 5.590 3.929 3.919 3.935 0.031 8 0 "[ . ]" 1
1115 2 51 ILE H 2 51 ILE HB 3.855 3.080 4.630 3.664 2.665 4.003 0.415 4 0 "[ . ]" 1
1116 2 51 ILE H 2 51 ILE QG 4.150 3.320 4.460 2.252 1.868 3.324 1.452 8 8 "[-** ***+*]" 1
1117 2 51 ILE H 2 51 ILE MG 3.900 3.120 4.680 2.866 2.204 3.872 0.916 3 1 "[ + . ]" 1
1118 2 51 ILE HA 2 51 ILE MD 3.605 2.880 4.320 4.012 3.380 4.184 . 0 0 "[ . ]" 1
1119 2 51 ILE MD 2 52 SER HA 4.160 3.430 4.890 4.519 2.375 6.001 1.111 4 2 "[ +. - ]" 1
1120 2 52 SER H 2 53 ARG H 3.935 3.150 4.720 3.859 3.460 4.233 . 0 0 "[ . ]" 1
1121 2 52 SER HA 2 52 SER QB 3.060 2.610 3.490 2.338 2.297 2.398 0.313 6 0 "[ . ]" 1
1122 2 52 SER QB 2 53 ARG H 3.635 2.950 4.360 3.919 3.560 4.045 . 0 0 "[ . ]" 1
1123 2 53 ARG H 2 53 ARG QB 3.910 3.130 4.690 2.409 2.308 2.598 0.822 4 9 [**-+*****] 1
1124 2 53 ARG H 2 53 ARG QG 4.035 3.230 4.840 3.097 2.114 4.077 1.116 3 2 "[ + . -]" 1
1125 2 53 ARG HA 2 53 ARG QD 3.505 2.800 4.210 4.012 3.806 4.217 0.007 3 0 "[ . ]" 1
1126 2 53 ARG HA 2 54 GLU H 3.475 2.780 4.170 2.199 2.121 2.375 0.659 2 7 "[ + *-****]" 1
1127 2 53 ARG QB 2 54 GLU H 3.565 2.850 4.280 3.596 2.911 4.026 . 0 0 "[ . ]" 1
1128 2 54 GLU H 2 54 GLU QG 3.850 3.080 4.620 3.702 2.395 4.156 0.685 3 1 "[ + . ]" 1
1129 2 54 GLU H 2 55 PHE H 4.145 3.290 4.930 4.432 4.246 4.667 . 0 0 "[ . ]" 1
1130 2 54 GLU H 2 55 PHE QB 4.210 3.420 5.000 5.518 4.218 6.280 1.280 3 5 "[*-+ .* * ]" 1
1131 2 54 GLU HA 2 55 PHE H 3.485 2.790 4.180 2.160 2.093 2.380 0.697 4 8 "[**-+** **]" 1
1132 2 55 PHE H 2 55 PHE QB 4.260 3.520 5.000 2.669 2.365 3.317 1.155 8 8 "[****-**+ ]" 1
1133 2 55 PHE H 2 55 PHE QD 4.250 3.500 5.000 2.873 2.067 4.448 1.433 8 6 "[-* *** + ]" 1
1134 2 55 PHE HA 2 55 PHE QB . 2.500 3.550 2.286 2.166 2.383 0.334 5 0 "[ . ]" 1
1135 2 55 PHE HA 2 55 PHE QD 3.900 3.120 4.680 3.046 2.259 3.717 0.861 7 3 "[- * . + ]" 1
1136 2 55 PHE HA 2 56 HIS H 3.600 2.880 4.320 2.320 2.152 2.440 0.728 2 6 "[*+ ***- ]" 1
1137 2 55 PHE QB 2 56 HIS H 3.700 2.960 4.440 2.550 2.179 3.591 0.781 3 6 "[- +** **]" 1
1138 2 56 HIS H 2 56 HIS QB 3.650 2.920 4.380 2.890 2.706 3.181 0.214 4 0 "[ . ]" 1
1139 2 56 HIS H 2 57 ARG H 4.225 3.450 5.000 3.177 2.678 4.331 0.772 3 3 "[ + . -* ]" 1
1140 2 56 HIS HA 2 56 HIS HD2 3.735 2.990 4.480 3.332 2.571 4.853 0.419 4 0 "[ . ]" 1
1141 2 56 HIS QB 2 56 HIS HD2 3.925 3.140 4.710 2.897 2.626 3.308 0.514 9 1 "[ . +]" 1
1142 2 57 ARG H 2 58 LYS H 4.200 3.400 5.000 4.107 3.662 4.350 . 0 0 "[ . ]" 1
1143 2 57 ARG QB 2 58 LYS HA 3.315 2.650 3.980 4.569 4.392 4.884 0.904 2 7 "[ +***-* *]" 1
1144 2 58 LYS HA 2 58 LYS QG 3.445 2.760 4.130 2.381 2.339 2.447 0.421 9 0 "[ . ]" 1
1145 2 58 LYS HA 2 59 TYR H 3.425 2.740 4.110 2.280 2.125 2.369 0.615 7 2 "[- . + ]" 1
1146 2 58 LYS QG 2 59 TYR H 3.960 3.170 4.750 4.055 3.283 4.447 . 0 0 "[ . ]" 1
1147 2 59 TYR H 2 59 TYR HA 3.750 3.000 4.500 2.922 2.850 3.004 0.150 9 0 "[ . ]" 1
1148 2 59 TYR H 2 59 TYR QB 4.080 3.220 4.830 2.400 2.199 3.098 1.021 9 8 "[ ****-**+]" 1
1149 2 59 TYR H 2 59 TYR QD 4.325 3.650 5.000 3.310 2.063 4.236 1.587 7 4 "[- * + *]" 1
1150 2 59 TYR H 2 60 ARG H 4.135 3.310 4.960 4.409 4.235 4.626 . 0 0 "[ . ]" 1
1151 2 59 TYR HA 2 59 TYR QB 3.470 2.550 3.830 2.347 2.181 2.469 0.369 1 0 "[ . ]" 1
1152 2 59 TYR HA 2 59 TYR QD 3.485 2.790 4.180 2.974 2.092 3.732 0.698 6 1 "[ .+ ]" 1
1153 2 59 TYR HA 2 60 ARG H 2.735 2.190 3.280 2.142 2.078 2.363 0.112 6 0 "[ . ]" 1
1154 2 59 TYR HA 2 60 ARG QB 3.775 3.120 4.530 4.067 3.919 4.415 . 0 0 "[ . ]" 1
1155 2 59 TYR HA 2 61 ILE MD 4.820 3.860 5.780 7.242 6.763 7.860 2.080 1 9 [+**-*****] 1
1156 2 59 TYR QB 2 59 TYR QE 4.425 3.540 5.310 3.940 3.926 3.969 . 0 0 "[ . ]" 1
1157 2 59 TYR QD 2 61 ILE HA 4.175 3.340 5.010 5.371 3.894 7.581 2.571 6 4 "[ *+- *]" 1
1158 2 59 TYR QD 2 61 ILE MG 4.635 3.710 5.560 6.352 5.114 8.301 2.741 6 4 "[ *+- *]" 1
1159 2 59 TYR QD 2 62 PRO QD 4.625 4.050 5.550 5.350 4.294 7.086 1.536 6 2 "[ -+ ]" 1
1160 2 60 ARG H 2 60 ARG HA 3.100 2.480 3.720 2.868 2.792 2.991 . 0 0 "[ . ]" 1
1161 2 60 ARG H 2 61 ILE H 4.195 3.390 5.000 4.577 4.326 4.644 . 0 0 "[ . ]" 1
1162 2 60 ARG HA 2 60 ARG QD 3.145 2.290 3.440 3.162 2.185 3.808 0.368 3 0 "[ . ]" 1
1163 2 60 ARG HA 2 61 ILE MD 3.995 2.930 4.390 4.764 4.453 4.959 0.569 9 2 "[ . - +]" 1
1164 2 60 ARG QB 2 60 ARG QD 3.020 2.440 3.620 2.223 2.114 2.503 0.326 4 0 "[ . ]" 1
1165 2 60 ARG QB 2 61 ILE H 3.640 2.910 4.370 3.357 2.570 3.878 0.340 1 0 "[ . ]" 1
1166 2 60 ARG QD 2 61 ILE H 4.060 3.250 4.870 4.383 3.168 4.807 0.082 9 0 "[ . ]" 1
1167 2 61 ILE H 2 61 ILE MD 4.425 3.970 4.880 3.511 3.377 3.665 0.593 6 3 "[ -+ *]" 1
1168 2 61 ILE HA 2 61 ILE HB 3.240 2.680 3.800 3.002 2.995 3.008 . 0 0 "[ . ]" 1
1169 2 61 ILE HA 2 61 ILE MD 4.045 2.840 4.260 3.828 3.788 3.909 . 0 0 "[ . ]" 1
1170 2 61 ILE HA 2 61 ILE MG 4.170 3.070 4.610 2.361 2.258 2.405 0.812 4 9 [***+**-**] 1
1171 2 61 ILE HA 2 62 PRO HA 4.025 3.220 4.830 4.496 4.469 4.533 . 0 0 "[ . ]" 1
1172 2 61 ILE HA 2 62 PRO QD 4.085 3.270 4.790 1.963 1.952 1.976 1.318 8 9 [***-***+*] 1
1173 2 61 ILE HB 2 61 ILE MD 3.780 3.020 4.540 2.304 2.248 2.393 0.772 6 9 [-****+***] 1
1174 2 61 ILE HB 2 62 PRO QD 3.840 3.070 4.530 4.124 3.885 4.259 . 0 0 "[ . ]" 1
1175 2 61 ILE MD 2 61 ILE MG 3.550 2.840 4.260 2.098 2.013 2.160 0.827 1 9 [+******-*] 1
1176 2 61 ILE MD 2 62 PRO QD 4.275 3.550 5.130 4.591 4.458 4.710 . 0 0 "[ . ]" 1
1177 2 61 ILE MD 2 65 VAL H 3.300 2.640 3.960 5.914 5.163 6.095 2.135 9 9 [***-****+] 1
1178 2 61 ILE QG 2 61 ILE MG 3.340 2.670 4.010 2.249 2.213 2.276 0.457 4 0 "[ . ]" 1
1179 2 61 ILE QG 2 62 PRO QD 3.860 3.090 4.630 3.533 3.461 3.652 . 0 0 "[ . ]" 1
1180 2 61 ILE MG 2 62 PRO QD 3.925 3.350 4.710 2.262 1.971 2.651 1.379 4 9 [*-*+*****] 1
1181 2 61 ILE MG 2 63 ALA HA 4.135 3.310 4.960 4.254 4.009 4.578 . 0 0 "[ . ]" 1
1182 2 61 ILE MG 2 64 ASP H 4.365 3.730 5.000 4.557 3.994 4.753 . 0 0 "[ . ]" 1
1183 2 61 ILE MG 2 65 VAL H 3.240 2.590 3.890 3.220 3.127 3.283 . 0 0 "[ . ]" 1
1184 2 61 ILE MG 2 85 PRO HA 4.550 3.640 5.460 7.881 6.850 9.671 4.211 2 9 [*+*-*****] 1
1185 2 62 PRO HA 2 62 PRO QD 3.700 2.960 4.440 3.349 3.333 3.380 . 0 0 "[ . ]" 1
1186 2 62 PRO HA 2 63 ALA H 2.690 2.150 3.230 2.242 2.206 2.318 . 0 0 "[ . ]" 1
1187 2 62 PRO HA 2 64 ASP H 3.125 2.500 3.750 3.817 3.696 3.975 0.225 4 0 "[ . ]" 1
1188 2 62 PRO QB 2 63 ALA H 3.075 2.460 3.690 3.095 2.924 3.184 . 0 0 "[ . ]" 1
1189 2 62 PRO QB 2 64 ASP H 3.060 2.450 3.670 2.628 2.331 2.851 0.119 2 0 "[ . ]" 1
1190 2 63 ALA H 2 63 ALA HA 2.890 2.310 3.470 2.836 2.788 2.867 . 0 0 "[ . ]" 1
1191 2 63 ALA H 2 63 ALA MB 2.890 2.310 3.470 2.232 2.218 2.240 0.092 4 0 "[ . ]" 1
1192 2 63 ALA H 2 64 ASP H 3.030 2.400 3.600 2.726 2.624 2.857 . 0 0 "[ . ]" 1
1193 2 63 ALA H 2 65 VAL H 3.775 3.150 4.400 4.373 4.218 4.628 0.228 4 0 "[ . ]" 1
1194 2 63 ALA HA 2 65 VAL H 2.895 2.320 3.470 3.594 3.318 4.105 0.635 8 1 "[ . + ]" 1
1195 2 63 ALA MB 2 64 ASP H 3.135 2.510 3.760 3.084 2.919 3.421 . 0 0 "[ . ]" 1
1196 2 63 ALA MB 2 64 ASP HA 3.825 3.060 4.590 4.019 3.979 4.094 . 0 0 "[ . ]" 1
1197 2 63 ALA MB 2 65 VAL H 3.560 2.850 4.270 4.383 4.327 4.579 0.309 8 0 "[ . ]" 1
1198 2 64 ASP H 2 64 ASP HA 2.735 2.190 3.280 2.977 2.943 2.997 . 0 0 "[ . ]" 1
1199 2 64 ASP H 2 64 ASP HB2 2.900 2.320 3.480 2.407 2.326 2.447 . 0 0 "[ . ]" 1
1200 2 64 ASP H 2 64 ASP HB3 3.000 2.400 3.600 3.657 3.605 3.687 0.087 2 0 "[ . ]" 1
1201 2 64 ASP H 2 65 VAL H 2.725 2.200 3.250 2.493 2.196 2.783 0.004 8 0 "[ . ]" 1
1202 2 64 ASP H 2 65 VAL QG 4.465 3.930 5.000 3.483 3.339 3.817 0.591 6 5 "[** *+ -]" 1
1203 2 64 ASP HA 2 64 ASP HB2 2.625 2.100 3.150 3.020 3.001 3.029 . 0 0 "[ . ]" 1
1204 2 64 ASP HA 2 64 ASP HB3 2.650 2.120 3.180 2.510 2.477 2.554 . 0 0 "[ . ]" 1
1205 2 64 ASP HA 2 65 VAL H 2.925 2.340 3.510 3.196 3.006 3.439 . 0 0 "[ . ]" 1
1206 2 64 ASP HB2 2 65 VAL H 3.325 2.660 3.990 3.719 3.190 4.053 0.063 6 0 "[ . ]" 1
1207 2 64 ASP HB3 2 65 VAL H 3.485 2.790 4.180 4.309 4.047 4.435 0.255 6 0 "[ . ]" 1
1208 2 65 VAL H 2 66 ASP H 3.870 2.840 4.270 4.466 4.334 4.655 0.385 4 0 "[ . ]" 1
1209 2 65 VAL H 2 87 LYS QD 2.750 2.200 3.300 4.040 3.421 5.769 2.469 8 3 "[ *. -+ ]" 1
1210 2 65 VAL HA 2 66 ASP H 3.060 2.450 3.670 2.152 2.121 2.225 0.329 1 0 "[ . ]" 1
1211 2 66 ASP H 2 66 ASP HA 3.170 2.540 3.800 2.935 2.895 2.987 . 0 0 "[ . ]" 1
1212 2 66 ASP H 2 66 ASP HB2 3.135 2.510 3.760 2.722 2.493 3.089 0.017 8 0 "[ . ]" 1
1213 2 66 ASP H 2 66 ASP HB3 3.055 2.440 3.670 2.700 2.520 3.720 0.050 8 0 "[ . ]" 1
1214 2 66 ASP H 2 69 THR HG1 3.835 3.070 4.600 3.414 2.537 4.121 0.533 8 1 "[ . + ]" 1
1215 2 66 ASP H 2 69 THR MG 4.180 3.360 5.000 4.122 2.750 4.798 0.610 8 1 "[ . + ]" 1
1216 2 66 ASP HA 2 68 LEU H 3.615 2.890 4.340 3.738 3.503 4.105 . 0 0 "[ . ]" 1
1217 2 67 PRO HA 2 70 ILE MD 3.640 2.910 4.370 2.248 2.054 2.489 0.856 9 8 "[*- *****+]" 1
1218 2 67 PRO QB 2 70 ILE MD 4.165 3.330 5.000 3.478 2.827 3.984 0.503 2 1 "[ + . ]" 1
1219 2 67 PRO QD 2 70 ILE MD 4.320 3.460 5.180 4.381 4.059 5.176 . 0 0 "[ . ]" 1
1220 2 67 PRO QG 2 68 LEU H 3.675 2.940 4.410 3.607 2.742 3.945 0.198 9 0 "[ . ]" 1
1221 2 67 PRO QG 2 70 ILE MD 3.660 2.930 4.390 4.115 3.646 4.862 0.472 3 0 "[ . ]" 1
1222 2 68 LEU H 2 68 LEU HA 2.925 2.340 3.510 2.921 2.863 2.999 . 0 0 "[ . ]" 1
1223 2 68 LEU H 2 68 LEU QB 2.935 2.350 3.520 2.412 2.380 2.480 . 0 0 "[ . ]" 1
1224 2 68 LEU H 2 68 LEU MD1 3.535 2.830 4.240 3.678 3.586 3.909 . 0 0 "[ . ]" 1
1225 2 68 LEU H 2 68 LEU MD2 3.550 2.840 4.260 3.502 3.419 3.682 . 0 0 "[ . ]" 1
1226 2 68 LEU H 2 69 THR H 3.245 2.500 3.750 2.522 2.222 2.725 0.278 2 0 "[ . ]" 1
1227 2 68 LEU H 2 69 THR MG 4.060 3.250 4.870 3.723 3.341 3.923 . 0 0 "[ . ]" 1
1228 2 68 LEU H 2 70 ILE H 3.715 2.970 4.460 4.138 3.884 4.345 . 0 0 "[ . ]" 1
1229 2 68 LEU HA 2 69 THR H 3.750 3.000 4.500 3.366 3.233 3.521 . 0 0 "[ . ]" 1
1230 2 68 LEU HA 2 70 ILE H 3.785 3.030 4.540 3.692 3.619 3.922 . 0 0 "[ . ]" 1
1231 2 69 THR H 2 69 THR HA 3.225 2.580 3.870 2.981 2.906 3.010 . 0 0 "[ . ]" 1
1232 2 69 THR H 2 69 THR HG1 3.430 2.740 4.120 3.227 2.247 3.553 0.493 4 0 "[ . ]" 1
1233 2 69 THR H 2 69 THR MG 3.535 2.830 4.240 2.544 2.195 2.830 0.635 8 2 "[ - + ]" 1
1234 2 69 THR H 2 70 ILE H 3.115 2.460 3.680 2.292 2.067 2.471 0.393 6 0 "[ . ]" 1
1235 2 69 THR H 2 70 ILE MG 4.225 3.450 5.000 4.922 2.857 5.770 0.770 8 5 "[** - *+ ]" 1
1236 2 69 THR HA 2 70 ILE H 3.265 2.610 3.920 3.263 3.144 3.466 . 0 0 "[ . ]" 1
1237 2 69 THR HA 2 70 ILE HA 3.240 2.590 3.890 4.668 4.603 4.751 0.861 8 9 [**-****+*] 1
1238 2 69 THR HA 2 84 GLY QA 3.600 2.880 4.320 4.578 4.274 5.102 0.782 8 2 "[ -. + ]" 1
1239 2 69 THR HB 2 70 ILE QG 2.560 2.050 3.070 4.914 4.455 5.900 2.830 3 9 [**+*-****] 1
1240 2 69 THR HB 2 84 GLY QA 3.335 2.670 4.000 3.647 3.369 4.015 0.015 8 0 "[ . ]" 1
1241 2 69 THR HB 2 85 PRO QD 3.555 2.840 4.270 2.170 1.970 2.920 0.870 3 8 "[**+*** -*]" 1
1242 2 69 THR HG1 2 70 ILE H 3.725 2.980 4.470 3.987 2.868 4.678 0.208 9 0 "[ . ]" 1
1243 2 69 THR MG 2 70 ILE H 3.540 2.830 4.250 4.164 3.989 4.255 0.005 3 0 "[ . ]" 1
1244 2 70 ILE H 2 70 ILE HA 3.260 2.610 3.910 2.953 2.904 2.969 . 0 0 "[ . ]" 1
1245 2 70 ILE H 2 70 ILE MD 3.330 2.660 4.000 3.654 3.514 3.717 . 0 0 "[ . ]" 1
1246 2 70 ILE H 2 70 ILE MG 4.040 3.230 4.850 3.492 2.473 3.788 0.757 2 2 "[ +- . ]" 1
1247 2 70 ILE H 2 71 THR H 3.790 3.050 4.530 4.540 4.487 4.624 0.094 2 0 "[ . ]" 1
1248 2 70 ILE HA 2 70 ILE MD 3.660 2.930 4.390 3.921 3.817 4.180 . 0 0 "[ . ]" 1
1249 2 70 ILE HA 2 70 ILE MG 3.350 2.680 4.020 2.358 2.293 2.405 0.387 2 0 "[ . ]" 1
1250 2 70 ILE HB 2 84 GLY QA 3.970 3.090 4.430 4.061 3.720 4.393 . 0 0 "[ . ]" 1
1251 2 70 ILE MD 2 71 THR H 3.385 2.710 4.060 5.049 4.446 5.236 1.176 5 8 "[* -*+****]" 1
1252 2 70 ILE MD 2 84 GLY QA 4.685 3.750 5.620 3.880 3.432 5.020 0.318 7 0 "[ . ]" 1
1253 2 70 ILE QG 2 70 ILE MG 3.665 2.930 4.400 2.292 2.251 2.363 0.679 2 9 [*+-******] 1
1254 2 70 ILE QG 2 84 GLY QA 3.890 3.110 4.670 2.555 1.914 4.510 1.196 9 7 "[* ****-+]" 1
1255 2 70 ILE MG 2 82 VAL HB 3.750 3.000 4.500 4.344 3.829 5.848 1.348 3 1 "[ + . ]" 1
1256 2 71 THR H 2 71 THR HA 2.815 2.250 3.380 3.003 2.982 3.013 . 0 0 "[ . ]" 1
1257 2 71 THR H 2 71 THR MG 3.635 2.910 4.360 3.622 2.608 3.962 0.302 9 0 "[ . ]" 1
1258 2 71 THR H 2 72 SER H 3.865 3.110 4.620 4.294 3.681 4.543 . 0 0 "[ . ]" 1
1259 2 71 THR H 2 83 ASP H 3.440 2.860 4.020 2.937 2.260 3.216 0.600 3 1 "[ + . ]" 1
1260 2 71 THR HB 2 72 SER H 2.760 2.210 3.310 3.815 2.218 4.494 1.184 2 7 "[*+**-* * ]" 1
1261 2 71 THR MG 2 72 SER H 3.275 2.620 3.930 2.972 2.408 3.713 0.212 5 0 "[ . ]" 1
1262 2 72 SER H 2 72 SER HA 3.375 2.700 4.050 2.940 2.870 2.998 . 0 0 "[ . ]" 1
1263 2 72 SER H 2 73 SER H 3.675 2.970 4.380 4.560 4.347 4.678 0.298 2 0 "[ . ]" 1
1264 2 72 SER H 2 82 VAL HA 2.625 2.100 3.150 4.349 3.731 4.789 1.639 7 9 [**-***+**] 1
1265 2 72 SER H 2 82 VAL QG 4.015 3.210 4.820 3.709 2.686 4.334 0.524 3 1 "[ + . ]" 1
1266 2 72 SER HA 2 72 SER QB 2.800 2.240 3.360 2.219 2.161 2.326 0.079 1 0 "[ . ]" 1
1267 2 72 SER HA 2 73 SER H 2.850 2.280 3.420 2.265 2.133 2.367 0.147 8 0 "[ . ]" 1
1268 2 72 SER HA 2 82 VAL HA 2.955 2.280 3.420 2.147 1.949 2.405 0.331 3 0 "[ . ]" 1
1269 2 72 SER HA 2 82 VAL HB 3.925 3.140 4.710 4.612 2.696 5.059 0.444 3 0 "[ . ]" 1
1270 2 72 SER HA 2 82 VAL QG . 3.200 3.990 2.665 2.417 2.966 0.783 8 6 "[* -** +*]" 1
1271 2 72 SER QB 2 82 VAL HA 3.150 2.520 3.780 3.181 3.048 3.339 . 0 0 "[ . ]" 1
1272 2 72 SER QB 2 83 ASP H 3.615 2.890 4.340 4.568 4.398 4.749 0.409 1 0 "[ . ]" 1
1273 2 73 SER H 2 73 SER HA 3.235 2.590 3.880 2.944 2.894 2.991 . 0 0 "[ . ]" 1
1274 2 73 SER H 2 73 SER QB 2.760 2.210 3.310 2.923 2.624 3.267 . 0 0 "[ . ]" 1
1275 2 73 SER H 2 80 LEU HA 3.900 3.120 4.680 4.129 3.724 4.521 . 0 0 "[ . ]" 1
1276 2 73 SER H 2 80 LEU QD 3.445 2.760 4.130 2.635 2.232 3.219 0.528 2 2 "[ +- . ]" 1
1277 2 73 SER H 2 80 LEU HG 4.050 3.240 4.860 4.243 3.456 4.822 . 0 0 "[ . ]" 1
1278 2 73 SER H 2 82 VAL QG 4.150 3.320 4.980 3.588 3.295 4.541 0.025 4 0 "[ . ]" 1
1279 2 73 SER HA 2 74 LEU H 2.990 2.390 3.590 2.198 2.122 2.329 0.268 8 0 "[ . ]" 1
1280 2 74 LEU H 2 74 LEU QB 3.440 2.750 4.130 2.392 2.287 2.538 0.463 4 0 "[ . ]" 1
1281 2 74 LEU H 2 74 LEU QD 4.085 3.270 4.900 3.676 2.578 3.981 0.692 2 1 "[ + . ]" 1
1282 2 74 LEU H 2 74 LEU HG 3.870 3.100 4.640 4.228 2.895 4.631 0.205 3 0 "[ . ]" 1
1283 2 74 LEU H 2 75 SER H 3.645 2.920 4.370 4.444 4.245 4.566 0.196 3 0 "[ . ]" 1
1284 2 75 SER H 2 78 GLY H 3.800 3.060 4.540 3.840 3.136 4.291 . 0 0 "[ . ]" 1
1285 2 75 SER H 2 79 VAL H 3.280 2.640 3.920 2.820 2.340 3.691 0.300 2 0 "[ . ]" 1
1286 2 75 SER H 2 79 VAL HB 3.500 2.800 4.200 3.484 3.088 3.879 . 0 0 "[ . ]" 1
1287 2 75 SER HA 2 75 SER QB 2.410 . 2.890 2.191 2.169 2.336 . 0 0 "[ . ]" 1
1288 2 75 SER HA 2 78 GLY H 3.175 2.540 3.810 4.581 4.404 4.808 0.998 8 9 [**-****+*] 1
1289 2 75 SER QB 2 79 VAL H 3.340 2.670 4.010 3.169 2.018 3.418 0.652 4 1 "[ +. ]" 1
1290 2 76 SER QB 2 77 ASP H 3.410 2.730 4.090 3.724 3.680 3.776 . 0 0 "[ . ]" 1
1291 2 77 ASP H 2 77 ASP HA 2.880 2.300 3.460 2.964 2.945 2.988 . 0 0 "[ . ]" 1
1292 2 77 ASP H 2 77 ASP QB 2.950 2.360 3.540 2.366 2.352 2.400 0.008 1 0 "[ . ]" 1
1293 2 77 ASP H 2 78 GLY H 3.180 2.590 3.770 2.328 2.205 2.383 0.385 3 0 "[ . ]" 1
1294 2 77 ASP H 2 79 VAL H 3.825 3.060 4.590 3.457 3.236 3.770 . 0 0 "[ . ]" 1
1295 2 77 ASP H 2 79 VAL QG 4.340 3.680 5.000 3.961 3.616 4.290 0.064 3 0 "[ . ]" 1
1296 2 77 ASP HA 2 78 GLY H 3.210 2.570 3.850 3.359 3.303 3.440 . 0 0 "[ . ]" 1
1297 2 77 ASP QB 2 78 GLY H 3.285 2.630 3.940 3.254 3.054 3.374 . 0 0 "[ . ]" 1
1298 2 77 ASP QB 2 79 VAL H 3.785 3.030 4.540 3.349 3.067 3.701 . 0 0 "[ . ]" 1
1299 2 78 GLY H 2 78 GLY QA 3.280 2.620 3.350 2.274 2.243 2.333 0.377 1 0 "[ . ]" 1
1300 2 78 GLY H 2 79 VAL H 2.850 2.280 3.420 2.265 1.969 2.444 0.311 4 0 "[ . ]" 1
1301 2 78 GLY H 2 79 VAL QG 3.650 2.920 4.380 3.731 3.517 3.899 . 0 0 "[ . ]" 1
1302 2 79 VAL H 2 79 VAL HA 3.425 2.740 4.110 2.982 2.927 3.014 . 0 0 "[ . ]" 1
1303 2 79 VAL H 2 79 VAL HB 2.915 2.330 3.500 2.551 2.458 2.682 . 0 0 "[ . ]" 1
1304 2 79 VAL H 2 79 VAL QG 3.180 2.670 3.690 2.450 2.148 2.734 0.522 5 1 "[ + ]" 1
1305 2 79 VAL H 2 80 LEU H 3.575 2.860 4.290 4.217 3.878 4.398 0.108 2 0 "[ . ]" 1
1306 2 79 VAL HA 2 79 VAL QG 3.020 2.420 3.620 2.102 2.062 2.135 0.358 7 0 "[ . ]" 1
1307 2 79 VAL HB 2 80 LEU H 3.875 3.100 4.650 4.416 4.297 4.501 . 0 0 "[ . ]" 1
1308 2 79 VAL QG 2 80 LEU H 3.770 3.020 4.520 3.090 2.756 3.486 0.264 6 0 "[ . ]" 1
1309 2 80 LEU H 2 80 LEU QD 3.800 3.040 4.560 3.801 3.765 3.835 . 0 0 "[ . ]" 1
1310 2 80 LEU H 2 80 LEU HG 3.885 3.110 4.660 4.411 4.359 4.456 . 0 0 "[ . ]" 1
1311 2 80 LEU HA 2 81 THR H 3.200 2.560 3.840 2.128 2.115 2.141 0.445 1 0 "[ . ]" 1
1312 2 80 LEU QD 2 81 THR H 3.540 2.830 4.250 2.479 2.269 2.762 0.561 4 2 "[ +. - ]" 1
1313 2 80 LEU HG 2 81 THR H 3.455 2.760 4.150 3.338 3.203 3.633 . 0 0 "[ . ]" 1
1314 2 81 THR H 2 81 THR HB 3.325 2.660 3.990 2.642 2.481 2.786 0.179 8 0 "[ . ]" 1
1315 2 81 THR H 2 81 THR MG 4.080 3.260 4.900 3.867 3.796 3.920 . 0 0 "[ . ]" 1
1316 2 81 THR H 2 82 VAL H 3.485 2.790 4.180 4.270 4.039 4.434 0.254 8 0 "[ . ]" 1
1317 2 81 THR HA 2 81 THR HB 3.300 2.640 3.960 3.031 3.025 3.038 . 0 0 "[ . ]" 1
1318 2 81 THR HA 2 81 THR MG 3.580 2.860 4.300 2.317 2.292 2.340 0.568 5 9 [-***+****] 1
1319 2 81 THR HA 2 82 VAL H 3.095 2.480 3.710 2.129 2.106 2.185 0.374 3 0 "[ . ]" 1
1320 2 81 THR HB 2 82 VAL H 3.935 3.150 4.720 4.355 4.237 4.484 . 0 0 "[ . ]" 1
1321 2 81 THR MG 2 82 VAL H 3.640 2.910 4.370 2.917 2.622 3.338 0.288 9 0 "[ . ]" 1
1322 2 81 THR MG 2 83 ASP QB 3.575 2.880 4.290 2.504 2.134 2.739 0.746 5 2 "[ +- ]" 1
1323 2 82 VAL H 2 82 VAL HB 3.545 2.840 4.250 2.671 2.511 3.049 0.329 2 0 "[ . ]" 1
1324 2 82 VAL H 2 82 VAL QG 3.900 3.170 4.680 2.491 1.887 2.748 1.283 3 7 "[**+ **-* ]" 1
1325 2 82 VAL HA 2 83 ASP H 2.890 2.310 3.470 2.108 2.088 2.139 0.222 8 0 "[ . ]" 1
1326 2 82 VAL HA 2 83 ASP QB 4.035 3.270 4.840 4.046 3.821 4.256 . 0 0 "[ . ]" 1
1327 2 82 VAL QG 2 83 ASP H 3.205 3.060 3.850 2.904 2.431 3.199 0.629 3 1 "[ + . ]" 1
1328 2 82 VAL QG 2 83 ASP QB 4.700 3.760 5.640 4.315 3.969 4.467 . 0 0 "[ . ]" 1
1329 2 83 ASP H 2 83 ASP HA 3.575 2.860 4.290 2.971 2.952 3.002 . 0 0 "[ . ]" 1
1330 2 83 ASP H 2 83 ASP QB 3.425 2.740 4.090 2.795 2.323 3.123 0.417 6 0 "[ . ]" 1
1331 2 83 ASP HA 2 83 ASP QB 3.105 2.620 3.610 2.238 2.188 2.361 0.432 8 0 "[ . ]" 1
1332 2 83 ASP HA 2 84 GLY H 3.410 2.730 4.090 2.163 2.096 2.334 0.634 6 8 "[**- *+***]" 1
1333 2 83 ASP QB 2 84 GLY H 3.695 2.960 4.430 3.211 2.506 3.846 0.454 4 0 "[ . ]" 1
1334 2 84 GLY QA 2 85 PRO QD 3.775 3.020 4.530 1.919 1.873 1.993 1.147 1 9 [+****-***] 1
1335 2 84 GLY QA 2 86 ARG H 3.225 2.580 3.870 5.197 3.407 5.712 1.842 1 7 "[+***** -]" 1
1336 2 85 PRO HA 2 85 PRO QB 2.725 2.180 3.270 2.240 2.183 2.261 . 0 0 "[ . ]" 1
1337 2 85 PRO HA 2 85 PRO QD 3.985 3.190 4.780 3.347 3.302 3.373 . 0 0 "[ . ]" 1
1338 2 85 PRO HA 2 85 PRO QG 2.800 2.240 3.360 2.972 2.798 3.497 0.137 8 0 "[ . ]" 1
1339 2 85 PRO QB 2 86 ARG H 4.010 3.210 4.810 2.936 2.700 3.067 0.510 6 1 "[ .+ ]" 1
1340 2 86 ARG H 2 86 ARG QB 3.690 2.950 4.430 2.412 2.213 3.174 0.737 5 7 "[*-* +*** ]" 1
1341 2 86 ARG H 2 87 LYS H 3.755 3.000 4.510 4.359 3.182 4.685 0.175 5 0 "[ . ]" 1
1342 2 87 LYS H 2 87 LYS HA 3.020 2.420 3.620 2.897 2.715 2.988 . 0 0 "[ . ]" 1
1343 2 87 LYS H 2 87 LYS QD 2.765 2.210 3.320 3.940 3.654 4.390 1.070 2 5 "[ +- .*** ]" 1
1344 2 87 LYS H 2 87 LYS QG 2.635 2.110 3.160 3.030 2.281 4.102 0.942 7 3 "[ - . +* ]" 1
1345 2 87 LYS H 2 88 GLN H 3.355 2.420 3.630 2.648 2.108 4.424 0.794 7 1 "[ . + ]" 1
1346 2 87 LYS HA 2 88 GLN H 2.175 . 2.550 3.302 2.142 3.589 1.039 8 8 "[***-** +*]" 1
1347 2 87 LYS QG 2 88 GLN H 2.850 2.280 3.420 3.725 2.698 4.372 0.952 4 5 "[*-*+.* ]" 1
1348 2 88 GLN H 2 88 GLN QB 2.415 . 2.900 2.407 2.242 2.494 . 0 0 "[ . ]" 1
1349 2 88 GLN H 2 88 GLN QG 2.615 2.090 3.140 2.692 2.338 4.066 0.926 4 1 "[ +. ]" 1
1350 2 88 GLN H 2 89 VAL H 3.160 2.530 3.790 2.660 2.067 4.605 0.815 7 1 "[ . + ]" 1
1351 2 89 VAL H 2 89 VAL QG 2.615 2.090 3.140 2.197 1.957 2.412 0.133 8 0 "[ . ]" 1
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save_