NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
484091 | 2fhm | 6884 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fhm 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 825 _Distance_constraint_stats_list.Viol_count 2107 _Distance_constraint_stats_list.Viol_total 12755.868 _Distance_constraint_stats_list.Viol_max 3.819 _Distance_constraint_stats_list.Viol_rms 0.2096 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0387 _Distance_constraint_stats_list.Viol_average_violations_only 0.3027 _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 1 MET 63.006 2.551 13 20 [************+******-] 1 2 LEU 20.644 1.497 1 13 "[+**** - ** * *** *2]" 1 3 GLN 90.287 3.819 8 20 [*******+*-**********] 1 4 TYR 60.362 3.819 8 20 [*******+***-********] 1 5 ARG 0.783 0.117 19 0 "[ . 1 . 2]" 1 6 ILE 33.610 1.670 19 20 [********-*********+*] 1 7 ILE 6.227 0.387 11 0 "[ . 1 . 2]" 1 8 VAL 52.548 3.592 6 20 [*****+-*************] 1 9 ASP 9.465 0.582 4 7 "[ **+- **1* . 2]" 1 10 GLY 0.017 0.011 6 0 "[ . 1 . 2]" 1 11 ARG 22.607 1.713 18 13 "[*- *.****1 * ***+ *]" 1 12 VAL 25.377 1.307 7 17 "[ ***.*+************2]" 1 13 GLN 69.142 2.251 12 20 [***********+**-*****] 1 18 ARG 51.961 3.592 6 20 [*****+********-*****] 1 19 TYR 13.853 0.786 8 18 "[***-***+***** *** **]" 1 20 PHE 27.124 0.896 9 18 "[********+**** -** **]" 1 21 VAL 34.689 2.682 17 20 [**********-*****+***] 1 22 GLN 1.684 0.265 16 0 "[ . 1 . 2]" 1 23 MET 1.486 0.077 15 0 "[ . 1 . 2]" 1 24 GLU 19.553 1.019 5 15 "[****+** *** -.****2]" 1 25 ALA 6.152 1.032 18 1 "[ . 1 . + 2]" 1 26 ASP 0.725 0.113 19 0 "[ . 1 . 2]" 1 27 LYS 15.296 1.278 5 12 "[* *+****- .** **]" 1 28 ARG 1.136 0.110 18 0 "[ . 1 . 2]" 1 29 LYS 0.364 0.110 18 0 "[ . 1 . 2]" 1 30 LEU 8.960 0.445 12 0 "[ . 1 . 2]" 1 31 ALA 0.812 0.474 5 0 "[ . 1 . 2]" 1 32 GLY 6.883 0.584 13 2 "[ . 1 + . -2]" 1 33 TRP 19.236 1.627 11 18 "[-** **** *+*********]" 1 34 VAL 86.544 2.251 12 20 [-**********+********] 1 35 LYS 25.811 2.293 6 10 "[ * .+* ** ***- *]" 1 36 ASN 1.087 0.104 15 0 "[ . 1 . 2]" 1 37 ARG 11.961 3.141 9 8 "[*- . +*** *.* 2]" 1 39 ASP 10.239 3.141 9 8 "[*- . +*** *.* 2]" 1 40 GLY 0.171 0.123 9 0 "[ . 1 . 2]" 1 41 ARG 0.420 0.069 15 0 "[ . 1 . 2]" 1 42 VAL 34.304 2.365 6 6 "[ .+* * * *- 2]" 1 43 GLU 12.237 0.963 10 4 "[ . -+ ** 2]" 1 44 ILE 34.886 1.670 19 20 [********-*********+*] 1 45 LEU 10.937 0.584 13 2 "[ . 1 + . -2]" 1 46 ALA 2.747 0.297 5 0 "[ . 1 . 2]" 1 47 GLU 0.424 0.116 9 0 "[ . 1 . 2]" 1 48 GLY 0.194 0.034 3 0 "[ . 1 . 2]" 1 49 PRO 1.622 0.084 1 0 "[ . 1 . 2]" 1 50 GLU 0.091 0.022 8 0 "[ . 1 . 2]" 1 51 ASN 0.224 0.054 4 0 "[ . 1 . 2]" 1 52 ALA 1.738 0.084 1 0 "[ . 1 . 2]" 1 53 LEU 7.862 0.685 18 2 "[ . 1 - . + 2]" 1 54 GLN 3.481 0.091 18 0 "[ . 1 . 2]" 1 55 SER 2.787 0.091 18 0 "[ . 1 . 2]" 1 56 PHE 6.342 0.292 18 0 "[ . 1 . 2]" 1 57 VAL 21.377 1.340 4 19 "[***+-************* *]" 1 58 GLU 2.296 0.080 8 0 "[ . 1 . 2]" 1 59 ALA 20.230 1.278 5 12 "[* *+****- .** **]" 1 60 VAL 26.287 1.019 5 15 "[****+** *** -.****2]" 1 61 LYS 30.385 1.340 4 20 [***+**********-*****] 1 62 ASN 0.746 0.074 2 0 "[ . 1 . 2]" 1 63 GLY 10.375 0.922 19 12 "[ **** **1* * - * +*]" 1 64 SER 0.213 0.078 1 0 "[ . 1 . 2]" 1 65 PRO 1.017 0.074 2 0 "[ . 1 . 2]" 1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 SER 26.471 2.682 17 19 "[******-*********+ **]" 1 68 LYS 19.556 1.713 18 13 "[*- *.****1 * ***+ *]" 1 69 VAL 16.272 1.151 13 17 "[ -**.*******+**** **]" 1 70 THR 0.021 0.015 18 0 "[ . 1 . 2]" 1 71 ASP 32.255 1.307 7 18 "[ -**.*+*************]" 1 72 ILE 0.041 0.023 9 0 "[ . 1 . 2]" 1 73 SER 0.020 0.012 5 0 "[ . 1 . 2]" 1 74 VAL 0.333 0.086 6 0 "[ . 1 . 2]" 1 75 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 GLU 0.702 0.117 19 0 "[ . 1 . 2]" 1 77 SER 0.338 0.175 14 0 "[ . 1 . 2]" 1 78 ARG 24.836 1.497 1 18 "[+************-*** *2]" 1 79 SER 2.074 0.324 11 0 "[ . 1 . 2]" 1 80 LEU 42.858 2.329 13 20 [************+******-] 1 81 GLU 9.984 1.897 13 7 "[* -.* 1* +*. *2]" 1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 HIS 1.297 0.267 2 0 "[ . 1 . 2]" 1 85 ARG 0.285 0.077 13 0 "[ . 1 . 2]" 1 86 PHE 2.801 1.032 18 1 "[ . 1 . + 2]" 1 87 SER 0.095 0.051 20 0 "[ . 1 . 2]" 1 88 ILE 6.173 0.536 18 3 "[ . 1- * . + 2]" 1 89 VAL 26.424 2.293 6 17 "[ ***.+***1*********-]" 1 90 TYR 0.503 0.080 18 0 "[ . 1 . 2]" 1 91 SER 14.295 1.298 7 15 "[ * *.*+**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 1 MET HA 1 1 MET QG . . 3.500 2.203 2.093 2.312 . 0 0 "[ . 1 . 2]" 1 2 1 1 MET HA 1 2 LEU H . . 2.800 2.717 2.290 2.859 0.059 5 0 "[ . 1 . 2]" 1 3 1 1 MET HA 1 49 PRO HA . . 3.500 3.327 2.200 3.536 0.036 10 0 "[ . 1 . 2]" 1 4 1 1 MET QB 1 1 MET ME . . 2.800 2.153 2.044 2.216 . 0 0 "[ . 1 . 2]" 1 5 1 1 MET QB 1 2 LEU H . . 3.500 2.671 1.956 3.097 . 0 0 "[ . 1 . 2]" 1 6 1 1 MET QB 1 2 LEU HG . . 7.000 6.212 5.275 6.629 . 0 0 "[ . 1 . 2]" 1 7 1 1 MET QB 1 48 GLY H . . 4.500 4.338 3.809 4.534 0.034 3 0 "[ . 1 . 2]" 1 8 1 1 MET QB 1 80 LEU QD . . 3.500 2.107 1.923 2.391 . 0 0 "[ . 1 . 2]" 1 9 1 1 MET ME 1 1 MET QG . . 2.800 2.386 2.328 2.468 . 0 0 "[ . 1 . 2]" 1 10 1 1 MET ME 1 2 LEU QB . . 4.500 4.546 4.513 4.642 0.142 6 0 "[ . 1 . 2]" 1 11 1 1 MET ME 1 3 GLN QE . . 5.500 6.648 5.792 8.051 2.551 13 17 "[****** * -**+******2]" 1 12 1 1 MET ME 1 3 GLN QG . . 7.000 6.002 5.359 7.631 0.631 13 1 "[ . 1 + . 2]" 1 13 1 1 MET ME 1 30 LEU HG . . 7.000 7.229 6.763 7.445 0.445 12 0 "[ . 1 . 2]" 1 14 1 1 MET ME 1 48 GLY QA . . 3.500 2.410 2.237 2.517 . 0 0 "[ . 1 . 2]" 1 15 1 1 MET ME 1 49 PRO QD . . 4.500 3.440 2.120 3.833 . 0 0 "[ . 1 . 2]" 1 16 1 1 MET ME 1 80 LEU HA . . 3.500 4.612 3.992 5.829 2.329 13 19 "[************+*** **-]" 1 17 1 1 MET ME 1 80 LEU QD . . 3.500 2.213 1.960 2.841 . 0 0 "[ . 1 . 2]" 1 18 1 1 MET ME 1 81 GLU QG . . 5.500 5.862 4.978 7.397 1.897 13 7 "[* -.* 1* +*. *2]" 1 19 1 1 MET ME 1 83 HIS QB . . 7.000 6.218 4.847 7.267 0.267 2 0 "[ . 1 . 2]" 1 20 1 1 MET QG 1 2 LEU H . . 7.000 2.245 1.785 3.673 . 0 0 "[ . 1 . 2]" 1 21 1 1 MET QG 1 2 LEU QB . . 5.500 3.904 3.492 4.814 . 0 0 "[ . 1 . 2]" 1 22 1 1 MET QG 1 48 GLY H . . 7.000 3.863 3.428 5.392 . 0 0 "[ . 1 . 2]" 1 23 1 1 MET QG 1 52 ALA H . . 7.000 6.588 6.243 7.056 0.056 1 0 "[ . 1 . 2]" 1 24 1 1 MET QG 1 80 LEU QD . . 4.500 3.587 3.309 3.794 . 0 0 "[ . 1 . 2]" 1 25 1 2 LEU H 1 2 LEU QB . . 3.500 2.460 2.235 2.661 . 0 0 "[ . 1 . 2]" 1 26 1 2 LEU H 1 2 LEU HG . . 4.500 4.484 3.891 4.611 0.111 8 0 "[ . 1 . 2]" 1 27 1 2 LEU H 1 49 PRO HA . . 5.500 3.360 3.146 3.614 . 0 0 "[ . 1 . 2]" 1 28 1 2 LEU H 1 49 PRO QD . . 5.500 4.981 4.802 5.137 . 0 0 "[ . 1 . 2]" 1 29 1 2 LEU H 1 53 LEU QD . . 3.500 3.375 2.809 3.525 0.025 14 0 "[ . 1 . 2]" 1 30 1 2 LEU H 1 80 LEU QD . . 3.500 3.203 2.621 3.526 0.026 5 0 "[ . 1 . 2]" 1 31 1 2 LEU HA 1 2 LEU QD . . 3.500 2.472 2.190 3.135 . 0 0 "[ . 1 . 2]" 1 32 1 2 LEU HA 1 3 GLN H . . 2.800 2.533 2.445 2.621 . 0 0 "[ . 1 . 2]" 1 33 1 2 LEU HA 1 80 LEU QD . . 3.500 3.312 2.977 3.544 0.044 5 0 "[ . 1 . 2]" 1 34 1 2 LEU QB 1 3 GLN H . . 2.800 2.456 1.966 2.851 0.051 12 0 "[ . 1 . 2]" 1 35 1 2 LEU QB 1 48 GLY H . . 5.500 3.917 3.782 4.134 . 0 0 "[ . 1 . 2]" 1 36 1 2 LEU QB 1 51 ASN H . . 7.000 5.814 5.397 6.190 . 0 0 "[ . 1 . 2]" 1 37 1 2 LEU QB 1 53 LEU QD . . 2.800 1.987 1.909 2.094 . 0 0 "[ . 1 . 2]" 1 38 1 2 LEU QB 1 77 SER H . . 5.500 4.519 3.727 5.301 . 0 0 "[ . 1 . 2]" 1 39 1 2 LEU QB 1 80 LEU H . . 7.000 6.942 6.232 7.131 0.131 17 0 "[ . 1 . 2]" 1 40 1 2 LEU QD 1 78 ARG HA . . 3.500 3.098 2.179 3.558 0.058 7 0 "[ . 1 . 2]" 1 41 1 2 LEU QD 1 78 ARG QB . . 2.800 3.627 2.213 4.297 1.497 1 13 "[+**** - ** * *** *2]" 1 42 1 3 GLN H 1 4 TYR H . . 5.500 4.351 4.252 4.380 . 0 0 "[ . 1 . 2]" 1 43 1 3 GLN H 1 53 LEU QD . . 4.500 3.004 2.826 3.318 . 0 0 "[ . 1 . 2]" 1 44 1 3 GLN H 1 77 SER H . . 3.500 2.823 2.687 3.054 . 0 0 "[ . 1 . 2]" 1 45 1 3 GLN H 1 80 LEU QD . . 4.500 4.388 3.887 5.058 0.558 5 1 "[ + 1 . 2]" 1 46 1 3 GLN HA 1 4 TYR H . . 2.800 2.355 2.274 2.408 . 0 0 "[ . 1 . 2]" 1 47 1 3 GLN HA 1 48 GLY H . . 4.500 3.277 2.940 3.626 . 0 0 "[ . 1 . 2]" 1 48 1 3 GLN HA 1 53 LEU QD . . 4.500 2.485 2.319 2.784 . 0 0 "[ . 1 . 2]" 1 49 1 3 GLN QB 1 4 TYR H . . 4.500 3.555 3.450 3.684 . 0 0 "[ . 1 . 2]" 1 50 1 3 GLN QB 1 77 SER QB . . 3.500 2.573 2.203 3.397 . 0 0 "[ . 1 . 2]" 1 51 1 3 GLN QB 1 80 LEU QD . . 2.800 3.108 2.305 4.146 1.346 17 9 "[ -** * 1* **. + *]" 1 52 1 3 GLN QB 1 80 LEU HG . . 5.500 4.702 3.960 5.501 0.001 14 0 "[ . 1 . 2]" 1 53 1 3 GLN QE 1 4 TYR QE . . 4.500 7.266 6.435 8.319 3.819 8 20 [*******+******-*****] 1 54 1 3 GLN QE 1 45 LEU QD . . 3.500 2.619 1.997 3.521 0.021 6 0 "[ . 1 . 2]" 1 55 1 3 GLN QE 1 79 SER H . . 5.500 4.813 3.884 5.804 0.304 5 0 "[ . 1 . 2]" 1 56 1 3 GLN QE 1 80 LEU HA . . 4.500 3.644 2.870 4.520 0.020 4 0 "[ . 1 . 2]" 1 57 1 3 GLN QE 1 81 GLU H . . 4.500 4.212 3.590 4.551 0.051 3 0 "[ . 1 . 2]" 1 58 1 3 GLN QE 1 81 GLU QG . . 3.500 2.652 1.972 3.276 . 0 0 "[ . 1 . 2]" 1 59 1 3 GLN QG 1 4 TYR H . . 3.500 2.319 2.173 2.472 . 0 0 "[ . 1 . 2]" 1 60 1 3 GLN QG 1 45 LEU QD . . 3.500 2.991 2.228 3.400 . 0 0 "[ . 1 . 2]" 1 61 1 3 GLN QG 1 46 ALA H . . 5.500 3.156 2.867 3.541 . 0 0 "[ . 1 . 2]" 1 62 1 4 TYR H 1 4 TYR QB . . 3.500 3.133 3.036 3.236 . 0 0 "[ . 1 . 2]" 1 63 1 4 TYR H 1 4 TYR QD . . 4.500 3.446 3.305 3.546 . 0 0 "[ . 1 . 2]" 1 64 1 4 TYR H 1 45 LEU QD . . 5.500 4.401 3.829 4.819 . 0 0 "[ . 1 . 2]" 1 65 1 4 TYR H 1 46 ALA H . . 4.500 2.821 2.732 2.934 . 0 0 "[ . 1 . 2]" 1 66 1 4 TYR H 1 48 GLY H . . 5.500 5.287 5.007 5.525 0.025 6 0 "[ . 1 . 2]" 1 67 1 4 TYR H 1 53 LEU QD . . 4.500 2.732 2.405 3.110 . 0 0 "[ . 1 . 2]" 1 68 1 4 TYR H 1 53 LEU HG . . 5.500 5.692 5.274 6.185 0.685 18 2 "[ . 1 - . + 2]" 1 69 1 4 TYR HA 1 4 TYR QD . . 4.500 3.795 3.782 3.814 . 0 0 "[ . 1 . 2]" 1 70 1 4 TYR HA 1 5 ARG H . . 2.800 2.317 2.251 2.361 . 0 0 "[ . 1 . 2]" 1 71 1 4 TYR HA 1 76 GLU HA . . 3.500 2.122 2.047 2.309 . 0 0 "[ . 1 . 2]" 1 72 1 4 TYR HA 1 77 SER H . . 5.500 3.430 2.985 3.727 . 0 0 "[ . 1 . 2]" 1 73 1 4 TYR QB 1 5 ARG H . . 4.500 2.381 2.314 2.456 . 0 0 "[ . 1 . 2]" 1 74 1 4 TYR QB 1 6 ILE MD . . 3.500 2.986 2.701 3.485 . 0 0 "[ . 1 . 2]" 1 75 1 4 TYR QB 1 46 ALA H . . 5.500 4.562 4.485 4.661 . 0 0 "[ . 1 . 2]" 1 76 1 4 TYR QB 1 46 ALA MB . . 5.500 4.854 4.673 5.116 . 0 0 "[ . 1 . 2]" 1 77 1 4 TYR QB 1 56 PHE QB . . 7.000 5.753 5.366 6.234 . 0 0 "[ . 1 . 2]" 1 78 1 4 TYR QB 1 57 VAL QG . . 3.500 3.369 3.121 3.508 0.008 5 0 "[ . 1 . 2]" 1 79 1 4 TYR QD 1 5 ARG H . . 4.500 3.416 3.309 3.587 . 0 0 "[ . 1 . 2]" 1 80 1 4 TYR QD 1 6 ILE MD . . 4.500 2.809 2.695 3.193 . 0 0 "[ . 1 . 2]" 1 81 1 4 TYR QD 1 44 ILE MD . . 5.500 5.132 4.903 5.419 . 0 0 "[ . 1 . 2]" 1 82 1 4 TYR QD 1 44 ILE MG . . 4.500 4.207 4.094 4.327 . 0 0 "[ . 1 . 2]" 1 83 1 4 TYR QD 1 46 ALA MB . . 4.500 3.745 3.608 3.965 . 0 0 "[ . 1 . 2]" 1 84 1 4 TYR QD 1 53 LEU QD . . 3.500 2.316 2.217 2.814 . 0 0 "[ . 1 . 2]" 1 85 1 4 TYR QD 1 57 VAL H . . 5.500 4.611 4.381 5.002 . 0 0 "[ . 1 . 2]" 1 86 1 4 TYR QD 1 57 VAL QG . . 3.500 2.944 2.407 3.158 . 0 0 "[ . 1 . 2]" 1 87 1 4 TYR QD 1 60 VAL QG . . 5.500 5.530 5.501 5.557 0.057 10 0 "[ . 1 . 2]" 1 88 1 4 TYR QD 1 74 VAL QG . . 5.500 4.048 3.822 4.265 . 0 0 "[ . 1 . 2]" 1 89 1 4 TYR QD 1 76 GLU HA . . 5.500 5.416 5.117 5.548 0.048 19 0 "[ . 1 . 2]" 1 90 1 4 TYR QD 1 77 SER H . . 7.000 6.413 6.019 6.737 . 0 0 "[ . 1 . 2]" 1 91 1 4 TYR QE 1 56 PHE H . . 7.000 4.900 4.376 5.257 . 0 0 "[ . 1 . 2]" 1 92 1 5 ARG H 1 5 ARG QB . . 3.500 2.734 2.633 2.848 . 0 0 "[ . 1 . 2]" 1 93 1 5 ARG H 1 6 ILE H . . 4.500 4.201 4.107 4.326 . 0 0 "[ . 1 . 2]" 1 94 1 5 ARG H 1 76 GLU HA . . 3.500 3.496 3.320 3.617 0.117 19 0 "[ . 1 . 2]" 1 95 1 5 ARG HA 1 5 ARG QG . . 3.500 2.440 2.251 2.694 . 0 0 "[ . 1 . 2]" 1 96 1 5 ARG HA 1 6 ILE H . . 2.800 2.272 2.219 2.324 . 0 0 "[ . 1 . 2]" 1 97 1 5 ARG HA 1 45 LEU HA . . 4.500 2.450 2.278 2.749 . 0 0 "[ . 1 . 2]" 1 98 1 5 ARG HA 1 45 LEU QD . . 4.500 3.463 2.684 4.007 . 0 0 "[ . 1 . 2]" 1 99 1 5 ARG HA 1 45 LEU HG . . 5.500 3.575 2.784 5.024 . 0 0 "[ . 1 . 2]" 1 100 1 5 ARG HA 1 46 ALA H . . 5.500 4.033 3.879 4.291 . 0 0 "[ . 1 . 2]" 1 101 1 5 ARG QB 1 5 ARG QD . . 3.500 2.233 2.111 2.398 . 0 0 "[ . 1 . 2]" 1 102 1 5 ARG QB 1 75 THR HB . . 4.500 2.409 2.113 2.870 . 0 0 "[ . 1 . 2]" 1 103 1 5 ARG QD 1 7 ILE MD . . 4.500 3.732 2.586 4.595 0.095 7 0 "[ . 1 . 2]" 1 104 1 5 ARG QG 1 6 ILE H . . 4.500 3.090 2.455 4.499 . 0 0 "[ . 1 . 2]" 1 105 1 5 ARG QG 1 45 LEU QD . . 2.800 2.500 1.973 2.805 0.005 11 0 "[ . 1 . 2]" 1 106 1 5 ARG QG 1 45 LEU HG . . 4.500 3.558 2.261 4.513 0.013 13 0 "[ . 1 . 2]" 1 107 1 6 ILE H 1 6 ILE HB . . 3.500 2.657 2.575 3.073 . 0 0 "[ . 1 . 2]" 1 108 1 6 ILE H 1 6 ILE MD . . 4.500 4.105 4.028 4.243 . 0 0 "[ . 1 . 2]" 1 109 1 6 ILE H 1 6 ILE QG . . 3.500 3.019 2.590 3.127 . 0 0 "[ . 1 . 2]" 1 110 1 6 ILE H 1 6 ILE MG . . 4.500 3.857 3.818 4.017 . 0 0 "[ . 1 . 2]" 1 111 1 6 ILE H 1 44 ILE H . . 3.500 2.759 2.684 2.951 . 0 0 "[ . 1 . 2]" 1 112 1 6 ILE H 1 45 LEU HA . . 5.500 3.714 3.513 3.909 . 0 0 "[ . 1 . 2]" 1 113 1 6 ILE HA 1 6 ILE MD . . 4.500 3.927 3.894 3.983 . 0 0 "[ . 1 . 2]" 1 114 1 6 ILE HA 1 6 ILE MG . . 2.800 2.490 2.262 2.543 . 0 0 "[ . 1 . 2]" 1 115 1 6 ILE HA 1 7 ILE H . . 2.800 2.259 2.223 2.289 . 0 0 "[ . 1 . 2]" 1 116 1 6 ILE HA 1 73 SER H . . 5.500 4.484 4.397 4.581 . 0 0 "[ . 1 . 2]" 1 117 1 6 ILE HA 1 74 VAL QG . . 4.500 3.085 2.820 3.487 . 0 0 "[ . 1 . 2]" 1 118 1 6 ILE HB 1 6 ILE MD . . 3.500 2.369 2.327 2.520 . 0 0 "[ . 1 . 2]" 1 119 1 6 ILE HB 1 6 ILE QG . . 2.800 2.399 2.300 2.421 . 0 0 "[ . 1 . 2]" 1 120 1 6 ILE HB 1 44 ILE H . . 4.500 3.240 3.102 3.396 . 0 0 "[ . 1 . 2]" 1 121 1 6 ILE HB 1 44 ILE MD . . 2.800 2.772 2.384 3.217 0.417 19 0 "[ . 1 . 2]" 1 122 1 6 ILE MD 1 44 ILE MG . . 3.500 3.392 3.009 3.511 0.011 19 0 "[ . 1 . 2]" 1 123 1 6 ILE MD 1 56 PHE QD . . 3.500 2.701 2.457 3.016 . 0 0 "[ . 1 . 2]" 1 124 1 6 ILE MD 1 57 VAL QG . . 2.800 1.991 1.953 2.044 . 0 0 "[ . 1 . 2]" 1 125 1 6 ILE MD 1 59 ALA MB . . 7.000 6.054 5.733 6.334 . 0 0 "[ . 1 . 2]" 1 126 1 6 ILE MD 1 60 VAL QG . . 2.800 2.985 2.691 3.229 0.429 15 0 "[ . 1 . 2]" 1 127 1 6 ILE QG 1 6 ILE MG . . 2.800 2.359 2.331 2.481 . 0 0 "[ . 1 . 2]" 1 128 1 6 ILE QG 1 44 ILE MD . . 2.800 4.084 3.682 4.470 1.670 19 20 [********-*********+*] 1 129 1 6 ILE QG 1 46 ALA MB . . 5.500 5.601 5.096 5.797 0.297 5 0 "[ . 1 . 2]" 1 130 1 6 ILE MG 1 7 ILE H . . 4.500 2.455 2.265 2.576 . 0 0 "[ . 1 . 2]" 1 131 1 6 ILE MG 1 44 ILE H . . 4.500 3.993 3.706 4.640 0.140 9 0 "[ . 1 . 2]" 1 132 1 6 ILE MG 1 57 VAL QG . . 3.500 3.399 3.141 3.520 0.020 10 0 "[ . 1 . 2]" 1 133 1 6 ILE MG 1 72 ILE QG . . 4.500 2.510 2.259 2.733 . 0 0 "[ . 1 . 2]" 1 134 1 6 ILE MG 1 74 VAL QG . . 2.800 2.425 2.253 2.672 . 0 0 "[ . 1 . 2]" 1 135 1 7 ILE H 1 7 ILE HB . . 3.500 3.441 3.323 3.553 0.053 4 0 "[ . 1 . 2]" 1 136 1 7 ILE H 1 7 ILE MD . . 4.500 3.182 3.000 3.344 . 0 0 "[ . 1 . 2]" 1 137 1 7 ILE H 1 8 VAL H . . 4.500 4.278 4.234 4.330 . 0 0 "[ . 1 . 2]" 1 138 1 7 ILE H 1 73 SER H . . 3.500 2.873 2.816 2.936 . 0 0 "[ . 1 . 2]" 1 139 1 7 ILE H 1 74 VAL HA . . 4.500 3.765 3.633 3.857 . 0 0 "[ . 1 . 2]" 1 140 1 7 ILE HA 1 7 ILE MD . . 3.500 3.233 3.012 3.445 . 0 0 "[ . 1 . 2]" 1 141 1 7 ILE HA 1 7 ILE MG . . 2.800 2.159 2.143 2.181 . 0 0 "[ . 1 . 2]" 1 142 1 7 ILE HA 1 8 VAL H . . 2.800 2.234 2.179 2.276 . 0 0 "[ . 1 . 2]" 1 143 1 7 ILE HA 1 8 VAL QG . . 3.500 3.103 2.857 3.285 . 0 0 "[ . 1 . 2]" 1 144 1 7 ILE HA 1 42 VAL H . . 5.500 4.620 4.283 4.932 . 0 0 "[ . 1 . 2]" 1 145 1 7 ILE HA 1 43 GLU HA . . 3.500 2.302 2.238 2.391 . 0 0 "[ . 1 . 2]" 1 146 1 7 ILE HA 1 44 ILE H . . 3.500 3.672 3.594 3.723 0.223 1 0 "[ . 1 . 2]" 1 147 1 7 ILE HB 1 7 ILE MD . . 3.500 3.268 3.208 3.308 . 0 0 "[ . 1 . 2]" 1 148 1 7 ILE HB 1 37 ARG QD . . 4.500 4.371 4.003 4.553 0.053 9 0 "[ . 1 . 2]" 1 149 1 7 ILE HB 1 73 SER H . . 4.500 4.248 3.931 4.512 0.012 5 0 "[ . 1 . 2]" 1 150 1 7 ILE MD 1 8 VAL H . . 5.500 4.981 4.791 5.128 . 0 0 "[ . 1 . 2]" 1 151 1 7 ILE MD 1 8 VAL QG . . 5.500 4.921 4.724 5.100 . 0 0 "[ . 1 . 2]" 1 152 1 7 ILE MD 1 37 ARG QD . . 3.500 3.558 3.297 3.887 0.387 11 0 "[ . 1 . 2]" 1 153 1 7 ILE MD 1 43 GLU HA . . 4.500 3.789 3.317 4.075 . 0 0 "[ . 1 . 2]" 1 154 1 7 ILE MD 1 43 GLU QB . . 4.500 3.796 3.340 4.133 . 0 0 "[ . 1 . 2]" 1 155 1 7 ILE MD 1 43 GLU QG . . 2.800 2.594 2.250 2.860 0.060 4 0 "[ . 1 . 2]" 1 156 1 7 ILE MG 1 8 VAL H . . 3.500 2.847 2.576 3.123 . 0 0 "[ . 1 . 2]" 1 157 1 7 ILE MG 1 12 VAL QG . . 5.500 5.409 5.113 5.529 0.029 4 0 "[ . 1 . 2]" 1 158 1 7 ILE MG 1 37 ARG QD . . 2.800 2.096 1.962 2.289 . 0 0 "[ . 1 . 2]" 1 159 1 7 ILE MG 1 42 VAL H . . 5.500 3.856 3.143 4.380 . 0 0 "[ . 1 . 2]" 1 160 1 7 ILE MG 1 42 VAL QG . . 4.500 4.492 4.305 4.638 0.138 6 0 "[ . 1 . 2]" 1 161 1 8 VAL H 1 8 VAL QG . . 2.800 2.246 2.159 2.367 . 0 0 "[ . 1 . 2]" 1 162 1 8 VAL H 1 9 ASP H . . 5.500 4.425 4.367 4.474 . 0 0 "[ . 1 . 2]" 1 163 1 8 VAL H 1 12 VAL HB . . 5.500 5.771 5.348 6.068 0.568 9 3 "[ . -*+1 . 2]" 1 164 1 8 VAL H 1 18 ARG QB . . 7.000 8.463 7.702 10.592 3.592 6 20 [*****+*****-********] 1 165 1 8 VAL H 1 42 VAL H . . 4.500 2.900 2.604 3.128 . 0 0 "[ . 1 . 2]" 1 166 1 8 VAL H 1 42 VAL QG . . 3.500 3.909 3.843 4.063 0.563 7 1 "[ . + 1 . 2]" 1 167 1 8 VAL H 1 43 GLU HA . . 5.500 3.680 3.511 3.768 . 0 0 "[ . 1 . 2]" 1 168 1 8 VAL HB 1 9 ASP H . . 4.500 2.781 2.605 3.127 . 0 0 "[ . 1 . 2]" 1 169 1 8 VAL HB 1 10 GLY QA . . 5.500 5.242 5.061 5.511 0.011 6 0 "[ . 1 . 2]" 1 170 1 8 VAL HB 1 12 VAL QG . . 4.500 2.360 2.115 2.739 . 0 0 "[ . 1 . 2]" 1 171 1 8 VAL QG 1 9 ASP H . . 2.800 3.273 3.167 3.382 0.582 4 7 "[ **+- **1* . 2]" 1 172 1 8 VAL QG 1 10 GLY QA . . 7.000 5.174 4.949 5.352 . 0 0 "[ . 1 . 2]" 1 173 1 8 VAL QG 1 42 VAL HB . . 2.800 2.124 2.021 2.366 . 0 0 "[ . 1 . 2]" 1 174 1 8 VAL QG 1 72 ILE HA . . 4.500 2.394 2.186 2.624 . 0 0 "[ . 1 . 2]" 1 175 1 8 VAL QG 1 72 ILE HB . . 2.800 2.253 2.202 2.516 . 0 0 "[ . 1 . 2]" 1 176 1 8 VAL QG 1 72 ILE QG . . 3.500 2.122 2.080 2.161 . 0 0 "[ . 1 . 2]" 1 177 1 9 ASP H 1 9 ASP QB . . 2.800 2.680 2.567 2.786 . 0 0 "[ . 1 . 2]" 1 178 1 9 ASP H 1 10 GLY QA . . 5.500 4.397 4.330 4.499 . 0 0 "[ . 1 . 2]" 1 179 1 9 ASP H 1 71 ASP H . . 4.500 2.995 2.921 3.069 . 0 0 "[ . 1 . 2]" 1 180 1 9 ASP H 1 72 ILE HB . . 5.500 4.476 4.314 4.705 . 0 0 "[ . 1 . 2]" 1 181 1 9 ASP HA 1 10 GLY H . . 2.800 2.355 2.309 2.410 . 0 0 "[ . 1 . 2]" 1 182 1 9 ASP HA 1 12 VAL QG . . 3.500 2.178 2.010 2.550 . 0 0 "[ . 1 . 2]" 1 183 1 9 ASP QB 1 10 GLY H . . 4.500 3.484 3.346 3.638 . 0 0 "[ . 1 . 2]" 1 184 1 9 ASP QB 1 41 ARG QD . . 4.500 2.764 2.080 4.197 . 0 0 "[ . 1 . 2]" 1 185 1 10 GLY H 1 10 GLY QA . . 2.800 2.467 2.448 2.479 . 0 0 "[ . 1 . 2]" 1 186 1 10 GLY H 1 42 VAL HB . . 7.000 6.388 6.126 6.611 . 0 0 "[ . 1 . 2]" 1 187 1 10 GLY H 1 68 LYS H . . 7.000 6.717 6.473 6.929 . 0 0 "[ . 1 . 2]" 1 188 1 10 GLY H 1 70 THR H . . 5.500 4.351 4.246 4.474 . 0 0 "[ . 1 . 2]" 1 189 1 10 GLY H 1 70 THR MG . . 5.500 5.083 4.830 5.338 . 0 0 "[ . 1 . 2]" 1 190 1 10 GLY QA 1 11 ARG H . . 2.800 2.245 2.199 2.285 . 0 0 "[ . 1 . 2]" 1 191 1 10 GLY QA 1 70 THR H . . 3.500 2.448 2.328 2.666 . 0 0 "[ . 1 . 2]" 1 192 1 10 GLY QA 1 70 THR MG . . 2.800 2.648 2.439 2.803 0.003 18 0 "[ . 1 . 2]" 1 193 1 10 GLY QA 1 71 ASP H . . 5.500 3.869 3.745 4.212 . 0 0 "[ . 1 . 2]" 1 194 1 11 ARG H 1 12 VAL H . . 5.500 3.735 3.360 4.062 . 0 0 "[ . 1 . 2]" 1 195 1 11 ARG H 1 12 VAL QG . . 4.500 3.329 3.128 3.727 . 0 0 "[ . 1 . 2]" 1 196 1 11 ARG H 1 68 LYS H . . 5.500 3.239 2.985 4.079 . 0 0 "[ . 1 . 2]" 1 197 1 11 ARG H 1 70 THR H . . 5.500 4.634 4.464 4.910 . 0 0 "[ . 1 . 2]" 1 198 1 11 ARG H 1 70 THR MG . . 4.500 3.608 3.327 4.025 . 0 0 "[ . 1 . 2]" 1 199 1 11 ARG HA 1 12 VAL H . . 2.800 2.359 2.173 2.606 . 0 0 "[ . 1 . 2]" 1 200 1 11 ARG HA 1 12 VAL QG . . 3.500 3.630 3.474 3.798 0.298 13 0 "[ . 1 . 2]" 1 201 1 11 ARG HA 1 13 GLN H . . 4.500 3.291 2.983 3.474 . 0 0 "[ . 1 . 2]" 1 202 1 11 ARG QB 1 13 GLN H . . 5.500 4.636 4.269 4.904 . 0 0 "[ . 1 . 2]" 1 203 1 11 ARG QB 1 68 LYS H . . 5.500 2.501 2.280 3.188 . 0 0 "[ . 1 . 2]" 1 204 1 11 ARG QB 1 68 LYS QG . . 2.800 3.385 2.130 4.264 1.464 18 11 "[*- *.****1 * *+ *]" 1 205 1 11 ARG QG 1 12 VAL H . . 7.000 3.994 3.352 4.787 . 0 0 "[ . 1 . 2]" 1 206 1 11 ARG QG 1 13 GLN HA . . 5.500 5.360 4.837 5.628 0.128 15 0 "[ . 1 . 2]" 1 207 1 11 ARG QG 1 68 LYS QE . . 4.500 4.541 3.573 6.213 1.713 18 3 "[ . 1 * .- + 2]" 1 208 1 12 VAL H 1 13 GLN H . . 3.500 2.445 2.160 3.004 . 0 0 "[ . 1 . 2]" 1 209 1 12 VAL H 1 36 ASN QD . . 7.000 6.784 6.244 7.072 0.072 3 0 "[ . 1 . 2]" 1 210 1 12 VAL HA 1 12 VAL HB . . 2.800 2.486 2.452 2.548 . 0 0 "[ . 1 . 2]" 1 211 1 12 VAL HA 1 12 VAL QG . . 2.800 2.261 2.182 2.328 . 0 0 "[ . 1 . 2]" 1 212 1 12 VAL HA 1 13 GLN H . . 5.500 3.224 2.944 3.411 . 0 0 "[ . 1 . 2]" 1 213 1 12 VAL HB 1 13 GLN H . . 7.000 4.432 4.163 4.543 . 0 0 "[ . 1 . 2]" 1 214 1 12 VAL HB 1 42 VAL QG . . 2.800 2.612 2.285 2.950 0.150 20 0 "[ . 1 . 2]" 1 215 1 12 VAL HB 1 71 ASP H . . 7.000 7.799 7.463 8.307 1.307 7 17 "[ ***.-+************2]" 1 216 1 12 VAL QG 1 13 GLN H . . 7.000 3.276 2.831 3.603 . 0 0 "[ . 1 . 2]" 1 217 1 12 VAL QG 1 41 ARG HA . . 3.500 3.415 2.793 3.569 0.069 15 0 "[ . 1 . 2]" 1 218 1 12 VAL QG 1 42 VAL H . . 3.500 2.878 2.411 3.434 . 0 0 "[ . 1 . 2]" 1 219 1 12 VAL QG 1 42 VAL HB . . 3.500 2.591 2.379 2.935 . 0 0 "[ . 1 . 2]" 1 220 1 12 VAL QG 1 42 VAL QG . . 2.800 2.186 1.920 2.322 . 0 0 "[ . 1 . 2]" 1 221 1 12 VAL QG 1 69 VAL HA . . 4.500 2.647 2.282 2.960 . 0 0 "[ . 1 . 2]" 1 222 1 12 VAL QG 1 70 THR H . . 5.500 3.869 3.532 4.228 . 0 0 "[ . 1 . 2]" 1 223 1 13 GLN QB 1 18 ARG H . . 5.500 5.362 4.991 5.588 0.088 7 0 "[ . 1 . 2]" 1 224 1 13 GLN QB 1 34 VAL QG . . 4.500 6.378 5.401 6.751 2.251 12 20 [***********+*******-] 1 225 1 13 GLN QE 1 34 VAL HA . . 5.500 7.028 6.139 7.158 1.658 18 20 [**************-**+**] 1 226 1 13 GLN QE 1 35 LYS H . . 7.000 5.841 4.919 6.393 . 0 0 "[ . 1 . 2]" 1 227 1 18 ARG HA 1 18 ARG QB . . 2.800 2.157 2.094 2.492 . 0 0 "[ . 1 . 2]" 1 228 1 18 ARG HA 1 21 VAL QG . . 3.500 2.536 1.987 3.504 0.004 18 0 "[ . 1 . 2]" 1 229 1 18 ARG HA 1 34 VAL QG . . 4.500 3.080 2.251 3.903 . 0 0 "[ . 1 . 2]" 1 230 1 18 ARG QB 1 20 PHE H . . 4.500 5.101 4.737 5.396 0.896 9 13 "[*** * **+1 ** -** *2]" 1 231 1 18 ARG QB 1 34 VAL QG . . 2.800 2.164 1.853 3.456 0.656 10 1 "[ . + . 2]" 1 232 1 18 ARG QB 1 42 VAL H . . 7.000 7.323 6.328 9.365 2.365 6 4 "[ .+ * - * 2]" 1 233 1 18 ARG QB 1 42 VAL QG . . 3.500 2.957 2.325 4.582 1.082 6 1 "[ .+ 1 . 2]" 1 234 1 18 ARG QD 1 34 VAL HA . . 5.500 5.221 4.296 5.644 0.144 9 0 "[ . 1 . 2]" 1 235 1 18 ARG QD 1 88 ILE MG . . 3.500 2.389 2.039 3.025 . 0 0 "[ . 1 . 2]" 1 236 1 19 TYR HA 1 88 ILE MD . . 3.500 2.509 2.169 2.895 . 0 0 "[ . 1 . 2]" 1 237 1 19 TYR QD 1 20 PHE HA . . 2.800 3.483 3.175 3.586 0.786 8 18 "[***-***+***** *** **]" 1 238 1 19 TYR QD 1 88 ILE MD . . 3.500 2.681 2.231 3.569 0.069 14 0 "[ . 1 . 2]" 1 239 1 20 PHE H 1 20 PHE QB . . 3.500 2.205 2.125 2.321 . 0 0 "[ . 1 . 2]" 1 240 1 20 PHE H 1 21 VAL H . . 5.500 3.064 2.802 3.255 . 0 0 "[ . 1 . 2]" 1 241 1 20 PHE HA 1 20 PHE QB . . 2.800 2.190 2.121 2.277 . 0 0 "[ . 1 . 2]" 1 242 1 20 PHE HA 1 22 GLN H . . 4.500 4.329 4.152 4.538 0.038 5 0 "[ . 1 . 2]" 1 243 1 20 PHE HA 1 22 GLN QB . . 5.500 5.394 5.160 5.534 0.034 10 0 "[ . 1 . 2]" 1 244 1 20 PHE HA 1 23 MET H . . 3.500 3.235 3.114 3.364 . 0 0 "[ . 1 . 2]" 1 245 1 20 PHE HA 1 23 MET QG . . 2.800 2.523 2.097 2.868 0.068 18 0 "[ . 1 . 2]" 1 246 1 20 PHE HA 1 88 ILE MD . . 7.000 6.502 6.234 6.928 . 0 0 "[ . 1 . 2]" 1 247 1 20 PHE QB 1 21 VAL H . . 4.500 3.136 2.736 3.584 . 0 0 "[ . 1 . 2]" 1 248 1 20 PHE QB 1 22 GLN H . . 5.500 5.030 4.798 5.271 . 0 0 "[ . 1 . 2]" 1 249 1 20 PHE QB 1 23 MET QB . . 4.500 4.304 3.786 4.539 0.039 15 0 "[ . 1 . 2]" 1 250 1 20 PHE QD 1 21 VAL HA . . 4.500 3.618 3.241 4.056 . 0 0 "[ . 1 . 2]" 1 251 1 20 PHE QD 1 21 VAL QG . . 4.500 2.614 2.176 3.137 . 0 0 "[ . 1 . 2]" 1 252 1 20 PHE QD 1 24 GLU H . . 5.500 4.561 3.886 5.248 . 0 0 "[ . 1 . 2]" 1 253 1 20 PHE QD 1 25 ALA H . . 7.000 6.582 6.095 7.005 0.005 8 0 "[ . 1 . 2]" 1 254 1 20 PHE QE 1 21 VAL QG . . 2.800 2.659 2.471 2.834 0.034 5 0 "[ . 1 . 2]" 1 255 1 20 PHE QE 1 60 VAL HA . . 2.800 2.843 2.803 2.900 0.100 18 0 "[ . 1 . 2]" 1 256 1 20 PHE QE 1 62 ASN H . . 7.000 6.599 6.128 7.017 0.017 15 0 "[ . 1 . 2]" 1 257 1 21 VAL H 1 21 VAL QG . . 3.500 2.009 1.860 2.494 . 0 0 "[ . 1 . 2]" 1 258 1 21 VAL HA 1 21 VAL QG . . 2.800 2.210 2.116 2.335 . 0 0 "[ . 1 . 2]" 1 259 1 21 VAL HA 1 24 GLU H . . 5.500 3.294 3.062 3.719 . 0 0 "[ . 1 . 2]" 1 260 1 21 VAL HA 1 25 ALA H . . 4.500 4.031 3.768 4.339 . 0 0 "[ . 1 . 2]" 1 261 1 21 VAL HA 1 60 VAL QG . . 4.500 3.690 3.486 4.130 . 0 0 "[ . 1 . 2]" 1 262 1 21 VAL HB 1 22 GLN H . . 4.500 3.628 2.606 4.072 . 0 0 "[ . 1 . 2]" 1 263 1 21 VAL QG 1 22 GLN H . . 3.500 2.643 2.393 3.319 . 0 0 "[ . 1 . 2]" 1 264 1 21 VAL QG 1 23 MET H . . 4.500 4.396 4.288 4.577 0.077 15 0 "[ . 1 . 2]" 1 265 1 21 VAL QG 1 25 ALA MB . . 4.500 3.972 3.265 4.354 . 0 0 "[ . 1 . 2]" 1 266 1 21 VAL QG 1 34 VAL HB . . 2.800 2.675 2.417 2.820 0.020 1 0 "[ . 1 . 2]" 1 267 1 21 VAL QG 1 34 VAL QG . . 2.800 2.022 1.893 2.126 . 0 0 "[ . 1 . 2]" 1 268 1 21 VAL QG 1 44 ILE HB . . 4.500 4.365 3.969 4.546 0.046 9 0 "[ . 1 . 2]" 1 269 1 21 VAL QG 1 44 ILE MD . . 2.800 2.065 1.950 2.142 . 0 0 "[ . 1 . 2]" 1 270 1 21 VAL QG 1 45 LEU H . . 5.500 5.500 4.925 5.794 0.294 7 0 "[ . 1 . 2]" 1 271 1 21 VAL QG 1 56 PHE QD . . 5.500 4.609 4.069 4.948 . 0 0 "[ . 1 . 2]" 1 272 1 21 VAL QG 1 60 VAL QG . . 2.800 2.234 1.972 2.828 0.028 15 0 "[ . 1 . 2]" 1 273 1 21 VAL QG 1 67 SER H . . 5.500 6.818 5.390 8.182 2.682 17 19 "[******-*********+ **]" 1 274 1 21 VAL QG 1 88 ILE QG . . 4.500 4.742 4.262 5.036 0.536 18 3 "[ . 1- * . + 2]" 1 275 1 22 GLN H 1 22 GLN QB . . 2.800 2.465 2.201 2.537 . 0 0 "[ . 1 . 2]" 1 276 1 22 GLN H 1 24 GLU QB . . 5.500 5.160 4.969 5.398 . 0 0 "[ . 1 . 2]" 1 277 1 22 GLN H 1 88 ILE MD . . 5.500 4.432 4.029 4.807 . 0 0 "[ . 1 . 2]" 1 278 1 22 GLN HA 1 22 GLN QB . . 2.800 2.349 2.303 2.486 . 0 0 "[ . 1 . 2]" 1 279 1 22 GLN HA 1 22 GLN QE . . 4.500 3.899 3.203 4.155 . 0 0 "[ . 1 . 2]" 1 280 1 22 GLN HA 1 23 MET H . . 4.500 3.510 3.454 3.553 . 0 0 "[ . 1 . 2]" 1 281 1 22 GLN HA 1 25 ALA H . . 3.500 2.916 2.616 3.284 . 0 0 "[ . 1 . 2]" 1 282 1 22 GLN HA 1 25 ALA MB . . 2.800 2.099 2.009 2.236 . 0 0 "[ . 1 . 2]" 1 283 1 22 GLN HA 1 26 ASP H . . 5.500 3.698 3.570 3.886 . 0 0 "[ . 1 . 2]" 1 284 1 22 GLN HA 1 86 PHE QD . . 4.500 4.183 3.086 4.531 0.031 17 0 "[ . 1 . 2]" 1 285 1 22 GLN HA 1 87 SER H . . 7.000 6.000 5.511 6.344 . 0 0 "[ . 1 . 2]" 1 286 1 22 GLN QB 1 23 MET H . . 3.500 3.087 2.951 3.256 . 0 0 "[ . 1 . 2]" 1 287 1 22 GLN QB 1 87 SER H . . 5.500 4.846 4.632 5.221 . 0 0 "[ . 1 . 2]" 1 288 1 22 GLN QB 1 88 ILE MD . . 3.500 2.927 2.694 3.156 . 0 0 "[ . 1 . 2]" 1 289 1 22 GLN QE 1 33 TRP H . . 4.500 3.744 3.406 4.131 . 0 0 "[ . 1 . 2]" 1 290 1 22 GLN QE 1 34 VAL HB . . 4.500 2.787 1.938 3.143 . 0 0 "[ . 1 . 2]" 1 291 1 22 GLN QE 1 34 VAL QG . . 3.500 2.181 1.855 2.335 . 0 0 "[ . 1 . 2]" 1 292 1 22 GLN QE 1 45 LEU H . . 4.500 4.535 4.435 4.600 0.100 5 0 "[ . 1 . 2]" 1 293 1 22 GLN QE 1 87 SER H . . 5.500 2.655 2.298 3.819 . 0 0 "[ . 1 . 2]" 1 294 1 22 GLN QE 1 88 ILE H . . 5.500 4.797 4.522 5.765 0.265 16 0 "[ . 1 . 2]" 1 295 1 22 GLN QE 1 88 ILE MD . . 4.500 4.307 4.123 4.518 0.018 4 0 "[ . 1 . 2]" 1 296 1 23 MET H 1 23 MET QB . . 3.500 2.534 2.166 2.733 . 0 0 "[ . 1 . 2]" 1 297 1 23 MET H 1 23 MET QG . . 3.500 2.567 2.274 3.373 . 0 0 "[ . 1 . 2]" 1 298 1 23 MET H 1 24 GLU QG . . 5.500 4.339 4.151 4.686 . 0 0 "[ . 1 . 2]" 1 299 1 23 MET H 1 25 ALA MB . . 4.500 4.537 4.512 4.561 0.061 16 0 "[ . 1 . 2]" 1 300 1 23 MET HA 1 23 MET QB . . 2.800 2.295 2.094 2.375 . 0 0 "[ . 1 . 2]" 1 301 1 23 MET HA 1 23 MET QG . . 3.500 2.627 2.427 3.335 . 0 0 "[ . 1 . 2]" 1 302 1 23 MET HA 1 24 GLU H . . 4.500 3.620 3.601 3.644 . 0 0 "[ . 1 . 2]" 1 303 1 23 MET HA 1 26 ASP QB . . 2.800 2.741 2.487 2.832 0.032 8 0 "[ . 1 . 2]" 1 304 1 23 MET ME 1 24 GLU H . . 4.500 4.085 3.908 4.349 . 0 0 "[ . 1 . 2]" 1 305 1 23 MET QG 1 24 GLU H . . 4.500 3.678 2.442 4.084 . 0 0 "[ . 1 . 2]" 1 306 1 24 GLU H 1 24 GLU HA . . 2.800 2.852 2.833 2.872 0.072 15 0 "[ . 1 . 2]" 1 307 1 24 GLU H 1 24 GLU QB . . 3.500 2.394 2.259 2.484 . 0 0 "[ . 1 . 2]" 1 308 1 24 GLU H 1 24 GLU QG . . 2.800 2.264 2.161 2.394 . 0 0 "[ . 1 . 2]" 1 309 1 24 GLU H 1 25 ALA H . . 2.800 2.685 2.614 2.751 . 0 0 "[ . 1 . 2]" 1 310 1 24 GLU H 1 30 LEU QD . . 7.000 6.484 6.207 6.670 . 0 0 "[ . 1 . 2]" 1 311 1 24 GLU H 1 60 VAL QG . . 5.500 5.792 5.491 6.214 0.714 16 4 "[ - *1 .+ *2]" 1 312 1 24 GLU HA 1 24 GLU QB . . 2.800 2.404 2.358 2.477 . 0 0 "[ . 1 . 2]" 1 313 1 24 GLU HA 1 25 ALA H . . 5.500 3.552 3.524 3.591 . 0 0 "[ . 1 . 2]" 1 314 1 24 GLU HA 1 27 LYS H . . 4.500 3.339 3.158 3.583 . 0 0 "[ . 1 . 2]" 1 315 1 24 GLU HA 1 27 LYS QE . . 4.500 2.617 2.068 4.094 . 0 0 "[ . 1 . 2]" 1 316 1 24 GLU QB 1 25 ALA H . . 4.500 2.809 2.606 3.010 . 0 0 "[ . 1 . 2]" 1 317 1 24 GLU QB 1 27 LYS HA . . 7.000 6.718 6.472 6.891 . 0 0 "[ . 1 . 2]" 1 318 1 24 GLU QB 1 27 LYS QE . . 3.500 3.122 2.739 3.510 0.010 15 0 "[ . 1 . 2]" 1 319 1 24 GLU QB 1 59 ALA H . . 5.500 5.425 5.154 5.581 0.081 8 0 "[ . 1 . 2]" 1 320 1 24 GLU QB 1 59 ALA MB . . 3.500 2.829 2.491 3.170 . 0 0 "[ . 1 . 2]" 1 321 1 24 GLU QG 1 25 ALA H . . 4.500 4.251 4.192 4.372 . 0 0 "[ . 1 . 2]" 1 322 1 24 GLU QG 1 59 ALA MB . . 3.500 2.787 2.427 3.298 . 0 0 "[ . 1 . 2]" 1 323 1 24 GLU QG 1 60 VAL H . . 5.500 5.152 4.679 5.481 . 0 0 "[ . 1 . 2]" 1 324 1 24 GLU QG 1 60 VAL QG . . 3.500 4.119 3.645 4.519 1.019 5 15 "[****+** *** -.****2]" 1 325 1 25 ALA H 1 26 ASP H . . 3.500 2.769 2.650 2.872 . 0 0 "[ . 1 . 2]" 1 326 1 25 ALA H 1 46 ALA MB . . 7.000 6.443 6.201 6.680 . 0 0 "[ . 1 . 2]" 1 327 1 25 ALA H 1 56 PHE QD . . 4.500 3.488 3.283 3.687 . 0 0 "[ . 1 . 2]" 1 328 1 25 ALA HA 1 26 ASP H . . 4.500 3.610 3.585 3.628 . 0 0 "[ . 1 . 2]" 1 329 1 25 ALA HA 1 28 ARG H . . 4.500 3.616 3.437 3.928 . 0 0 "[ . 1 . 2]" 1 330 1 25 ALA HA 1 30 LEU H . . 5.500 3.565 3.403 3.706 . 0 0 "[ . 1 . 2]" 1 331 1 25 ALA HA 1 30 LEU QB . . 3.500 2.509 2.178 2.772 . 0 0 "[ . 1 . 2]" 1 332 1 25 ALA HA 1 30 LEU QD . . 3.500 2.325 2.193 2.488 . 0 0 "[ . 1 . 2]" 1 333 1 25 ALA MB 1 26 ASP H . . 2.800 2.327 2.214 2.416 . 0 0 "[ . 1 . 2]" 1 334 1 25 ALA MB 1 27 LYS H . . 4.500 4.491 4.391 4.537 0.037 15 0 "[ . 1 . 2]" 1 335 1 25 ALA MB 1 30 LEU H . . 3.500 3.645 3.498 3.759 0.259 20 0 "[ . 1 . 2]" 1 336 1 25 ALA MB 1 56 PHE QD . . 3.500 3.483 3.211 3.545 0.045 9 0 "[ . 1 . 2]" 1 337 1 25 ALA MB 1 86 PHE QB . . 3.500 2.877 2.477 4.532 1.032 18 1 "[ . 1 . + 2]" 1 338 1 25 ALA MB 1 86 PHE QD . . 3.500 3.509 3.046 3.564 0.064 8 0 "[ . 1 . 2]" 1 339 1 26 ASP H 1 26 ASP QB . . 2.800 2.240 2.212 2.267 . 0 0 "[ . 1 . 2]" 1 340 1 26 ASP H 1 27 LYS H . . 3.500 2.773 2.710 2.848 . 0 0 "[ . 1 . 2]" 1 341 1 26 ASP H 1 28 ARG H . . 5.500 4.128 3.994 4.548 . 0 0 "[ . 1 . 2]" 1 342 1 26 ASP H 1 56 PHE QD . . 5.500 5.514 5.387 5.613 0.113 19 0 "[ . 1 . 2]" 1 343 1 26 ASP HA 1 26 ASP QB . . 2.800 2.336 2.314 2.349 . 0 0 "[ . 1 . 2]" 1 344 1 26 ASP HA 1 27 LYS H . . 4.500 3.581 3.543 3.618 . 0 0 "[ . 1 . 2]" 1 345 1 26 ASP HA 1 28 ARG H . . 4.500 3.930 3.723 4.289 . 0 0 "[ . 1 . 2]" 1 346 1 26 ASP HA 1 29 LYS H . . 3.500 3.266 3.076 3.500 0.000 20 0 "[ . 1 . 2]" 1 347 1 26 ASP HA 1 30 LEU H . . 5.500 3.629 3.380 3.849 . 0 0 "[ . 1 . 2]" 1 348 1 26 ASP QB 1 27 LYS H . . 3.500 2.584 2.392 2.768 . 0 0 "[ . 1 . 2]" 1 349 1 27 LYS H 1 27 LYS HA . . 2.800 2.811 2.746 2.828 0.028 11 0 "[ . 1 . 2]" 1 350 1 27 LYS H 1 28 ARG H . . 3.500 2.834 2.762 2.923 . 0 0 "[ . 1 . 2]" 1 351 1 27 LYS HA 1 28 ARG H . . 3.500 3.494 3.410 3.542 0.042 1 0 "[ . 1 . 2]" 1 352 1 27 LYS QE 1 30 LEU QB . . 7.000 7.039 6.947 7.078 0.078 20 0 "[ . 1 . 2]" 1 353 1 27 LYS QE 1 59 ALA H . . 7.000 5.819 5.048 6.716 . 0 0 "[ . 1 . 2]" 1 354 1 27 LYS QE 1 59 ALA MB . . 2.800 3.473 2.581 4.078 1.278 5 12 "[* *+****- .** **]" 1 355 1 28 ARG H 1 28 ARG QB . . 3.500 2.467 2.346 2.645 . 0 0 "[ . 1 . 2]" 1 356 1 28 ARG H 1 28 ARG QD . . 5.500 4.375 3.633 4.733 . 0 0 "[ . 1 . 2]" 1 357 1 28 ARG H 1 29 LYS H . . 2.800 2.403 2.240 2.644 . 0 0 "[ . 1 . 2]" 1 358 1 28 ARG H 1 29 LYS HA . . 4.500 4.326 4.115 4.610 0.110 18 0 "[ . 1 . 2]" 1 359 1 28 ARG H 1 30 LEU H . . 4.500 3.438 3.268 3.730 . 0 0 "[ . 1 . 2]" 1 360 1 28 ARG H 1 30 LEU QD . . 4.500 4.395 3.971 4.531 0.031 1 0 "[ . 1 . 2]" 1 361 1 28 ARG H 1 30 LEU HG . . 4.500 4.104 3.784 4.352 . 0 0 "[ . 1 . 2]" 1 362 1 28 ARG HA 1 29 LYS H . . 3.500 3.122 2.988 3.249 . 0 0 "[ . 1 . 2]" 1 363 1 28 ARG QB 1 28 ARG QD . . 3.500 2.427 2.107 3.015 . 0 0 "[ . 1 . 2]" 1 364 1 28 ARG QB 1 29 LYS H . . 4.500 3.701 3.528 3.820 . 0 0 "[ . 1 . 2]" 1 365 1 28 ARG QB 1 30 LEU H . . 4.500 3.382 3.065 3.911 . 0 0 "[ . 1 . 2]" 1 366 1 28 ARG QB 1 30 LEU QD . . 3.500 2.746 2.516 3.261 . 0 0 "[ . 1 . 2]" 1 367 1 28 ARG QB 1 30 LEU HG . . 3.500 2.296 2.123 3.065 . 0 0 "[ . 1 . 2]" 1 368 1 28 ARG QB 1 52 ALA MB . . 2.800 2.223 2.080 2.789 . 0 0 "[ . 1 . 2]" 1 369 1 28 ARG QD 1 56 PHE H . . 5.500 3.738 2.659 4.231 . 0 0 "[ . 1 . 2]" 1 370 1 28 ARG QD 1 56 PHE HA . . 5.500 4.290 2.688 4.893 . 0 0 "[ . 1 . 2]" 1 371 1 28 ARG QD 1 56 PHE QD . . 7.000 5.007 2.585 5.983 . 0 0 "[ . 1 . 2]" 1 372 1 28 ARG QD 1 58 GLU H . . 7.000 6.815 6.005 7.040 0.040 18 0 "[ . 1 . 2]" 1 373 1 28 ARG QG 1 52 ALA HA . . 3.500 3.344 2.164 3.573 0.073 8 0 "[ . 1 . 2]" 1 374 1 29 LYS H 1 29 LYS HA . . 2.800 2.226 2.179 2.257 . 0 0 "[ . 1 . 2]" 1 375 1 29 LYS H 1 30 LEU H . . 3.500 2.901 2.770 2.995 . 0 0 "[ . 1 . 2]" 1 376 1 29 LYS HA 1 30 LEU H . . 2.800 2.773 2.648 2.835 0.035 5 0 "[ . 1 . 2]" 1 377 1 30 LEU H 1 30 LEU QB . . 3.500 2.366 2.290 2.459 . 0 0 "[ . 1 . 2]" 1 378 1 30 LEU H 1 30 LEU HG . . 3.500 2.578 2.485 2.674 . 0 0 "[ . 1 . 2]" 1 379 1 30 LEU HA 1 30 LEU QD . . 2.800 2.144 2.094 2.187 . 0 0 "[ . 1 . 2]" 1 380 1 30 LEU HA 1 30 LEU HG . . 3.500 3.219 3.113 3.344 . 0 0 "[ . 1 . 2]" 1 381 1 30 LEU HA 1 31 ALA H . . 2.800 2.421 2.377 2.552 . 0 0 "[ . 1 . 2]" 1 382 1 30 LEU QB 1 31 ALA H . . 3.500 2.505 2.430 2.651 . 0 0 "[ . 1 . 2]" 1 383 1 30 LEU QB 1 47 GLU H . . 4.500 4.211 3.891 4.506 0.006 15 0 "[ . 1 . 2]" 1 384 1 30 LEU QD 1 31 ALA H . . 3.500 3.367 3.199 3.505 0.005 5 0 "[ . 1 . 2]" 1 385 1 30 LEU QD 1 46 ALA MB . . 3.500 2.608 2.392 3.064 . 0 0 "[ . 1 . 2]" 1 386 1 30 LEU QD 1 47 GLU H . . 5.500 4.243 3.983 4.575 . 0 0 "[ . 1 . 2]" 1 387 1 30 LEU QD 1 48 GLY QA . . 2.800 1.983 1.919 2.059 . 0 0 "[ . 1 . 2]" 1 388 1 30 LEU QD 1 52 ALA H . . 4.500 4.239 4.115 4.370 . 0 0 "[ . 1 . 2]" 1 389 1 30 LEU QD 1 52 ALA MB . . 2.800 2.080 2.018 2.154 . 0 0 "[ . 1 . 2]" 1 390 1 30 LEU QD 1 53 LEU HA . . 2.800 2.293 2.159 2.421 . 0 0 "[ . 1 . 2]" 1 391 1 30 LEU QD 1 54 GLN H . . 5.500 4.679 4.570 4.844 . 0 0 "[ . 1 . 2]" 1 392 1 30 LEU QD 1 56 PHE H . . 5.500 3.662 3.440 3.861 . 0 0 "[ . 1 . 2]" 1 393 1 30 LEU QD 1 56 PHE QB . . 3.500 2.117 2.031 2.248 . 0 0 "[ . 1 . 2]" 1 394 1 30 LEU QD 1 56 PHE QD . . 3.500 2.643 2.307 3.071 . 0 0 "[ . 1 . 2]" 1 395 1 30 LEU HG 1 31 ALA H . . 5.500 5.011 4.898 5.131 . 0 0 "[ . 1 . 2]" 1 396 1 31 ALA H 1 31 ALA MB . . 2.800 2.605 2.511 2.684 . 0 0 "[ . 1 . 2]" 1 397 1 31 ALA H 1 46 ALA HA . . 4.500 4.335 4.014 4.502 0.002 13 0 "[ . 1 . 2]" 1 398 1 31 ALA H 1 47 GLU H . . 3.500 2.976 2.755 3.250 . 0 0 "[ . 1 . 2]" 1 399 1 31 ALA HA 1 32 GLY H . . 2.800 2.273 2.208 2.339 . 0 0 "[ . 1 . 2]" 1 400 1 31 ALA HA 1 86 PHE HA . . 3.500 3.355 2.956 3.974 0.474 5 0 "[ . 1 . 2]" 1 401 1 31 ALA HA 1 86 PHE QB . . 4.500 3.423 2.134 4.546 0.046 18 0 "[ . 1 . 2]" 1 402 1 31 ALA HA 1 87 SER H . . 5.500 5.420 5.143 5.551 0.051 20 0 "[ . 1 . 2]" 1 403 1 31 ALA MB 1 32 GLY H . . 3.500 3.067 2.882 3.268 . 0 0 "[ . 1 . 2]" 1 404 1 31 ALA MB 1 83 HIS H . . 5.500 4.095 3.559 4.623 . 0 0 "[ . 1 . 2]" 1 405 1 31 ALA MB 1 83 HIS HA . . 7.000 4.181 3.868 4.526 . 0 0 "[ . 1 . 2]" 1 406 1 31 ALA MB 1 83 HIS QB . . 4.500 2.389 2.132 3.517 . 0 0 "[ . 1 . 2]" 1 407 1 31 ALA MB 1 85 ARG H . . 4.500 2.380 2.096 3.633 . 0 0 "[ . 1 . 2]" 1 408 1 31 ALA MB 1 85 ARG HA . . 4.500 3.761 3.185 4.515 0.015 5 0 "[ . 1 . 2]" 1 409 1 32 GLY H 1 45 LEU QD . . 5.500 5.844 5.610 6.084 0.584 13 2 "[ . 1 + . -2]" 1 410 1 32 GLY H 1 85 ARG H . . 5.500 4.085 3.813 5.505 0.005 5 0 "[ . 1 . 2]" 1 411 1 32 GLY H 1 86 PHE HA . . 2.800 2.243 1.904 2.515 . 0 0 "[ . 1 . 2]" 1 412 1 32 GLY H 1 87 SER H . . 4.500 3.686 3.512 3.805 . 0 0 "[ . 1 . 2]" 1 413 1 32 GLY H 1 87 SER QB . . 5.500 4.997 4.691 5.501 0.001 5 0 "[ . 1 . 2]" 1 414 1 32 GLY QA 1 33 TRP H . . 2.800 2.294 2.258 2.331 . 0 0 "[ . 1 . 2]" 1 415 1 32 GLY QA 1 45 LEU H . . 5.500 4.195 3.973 4.445 . 0 0 "[ . 1 . 2]" 1 416 1 32 GLY QA 1 46 ALA HA . . 3.500 2.062 1.973 2.103 . 0 0 "[ . 1 . 2]" 1 417 1 32 GLY QA 1 47 GLU H . . 5.500 3.455 3.355 3.591 . 0 0 "[ . 1 . 2]" 1 418 1 33 TRP H 1 33 TRP HE3 . . 5.500 4.034 3.332 4.813 . 0 0 "[ . 1 . 2]" 1 419 1 33 TRP H 1 44 ILE MG . . 5.500 4.203 3.954 4.766 . 0 0 "[ . 1 . 2]" 1 420 1 33 TRP H 1 45 LEU H . . 3.500 2.938 2.766 3.195 . 0 0 "[ . 1 . 2]" 1 421 1 33 TRP H 1 45 LEU QB . . 4.500 3.285 2.681 3.665 . 0 0 "[ . 1 . 2]" 1 422 1 33 TRP H 1 45 LEU QD . . 3.500 3.503 3.382 3.563 0.063 3 0 "[ . 1 . 2]" 1 423 1 33 TRP H 1 46 ALA H . . 5.500 5.002 4.854 5.173 . 0 0 "[ . 1 . 2]" 1 424 1 33 TRP H 1 46 ALA HA . . 4.500 3.744 3.681 3.901 . 0 0 "[ . 1 . 2]" 1 425 1 33 TRP H 1 46 ALA MB . . 4.500 3.747 3.575 4.023 . 0 0 "[ . 1 . 2]" 1 426 1 33 TRP HA 1 34 VAL H . . 3.500 2.336 2.291 2.371 . 0 0 "[ . 1 . 2]" 1 427 1 33 TRP HA 1 34 VAL QG . . 4.500 3.773 3.635 3.922 . 0 0 "[ . 1 . 2]" 1 428 1 33 TRP HA 1 87 SER H . . 3.500 2.372 2.224 2.555 . 0 0 "[ . 1 . 2]" 1 429 1 33 TRP HA 1 87 SER QB . . 3.500 2.744 2.273 3.055 . 0 0 "[ . 1 . 2]" 1 430 1 33 TRP QB 1 33 TRP HE3 . . 3.500 2.560 2.425 3.148 . 0 0 "[ . 1 . 2]" 1 431 1 33 TRP QB 1 34 VAL H . . 2.800 2.481 2.246 2.587 . 0 0 "[ . 1 . 2]" 1 432 1 33 TRP QB 1 87 SER QB . . 5.500 2.354 2.136 2.804 . 0 0 "[ . 1 . 2]" 1 433 1 33 TRP QB 1 89 VAL QG . . 2.800 2.463 2.005 2.803 0.003 6 0 "[ . 1 . 2]" 1 434 1 33 TRP HD1 1 45 LEU QD . . 4.500 4.404 3.802 4.545 0.045 7 0 "[ . 1 . 2]" 1 435 1 33 TRP HE1 1 34 VAL H . . 5.500 6.297 5.958 7.127 1.627 11 18 "[-** **** *+*********]" 1 436 1 33 TRP HE1 1 35 LYS QD . . 5.500 3.945 2.788 5.535 0.035 11 0 "[ . 1 . 2]" 1 437 1 33 TRP HE1 1 45 LEU QB . . 5.500 3.055 2.642 4.045 . 0 0 "[ . 1 . 2]" 1 438 1 33 TRP HE1 1 45 LEU QD . . 3.500 3.256 2.843 3.510 0.010 10 0 "[ . 1 . 2]" 1 439 1 33 TRP HZ2 1 45 LEU H . . 7.000 6.561 5.863 6.986 . 0 0 "[ . 1 . 2]" 1 440 1 33 TRP HZ2 1 89 VAL QG . . 5.500 5.508 4.752 6.094 0.594 20 1 "[ . 1 . +]" 1 441 1 34 VAL H 1 34 VAL QG . . 2.800 2.283 2.183 2.379 . 0 0 "[ . 1 . 2]" 1 442 1 34 VAL H 1 87 SER QB . . 5.500 4.001 3.780 4.200 . 0 0 "[ . 1 . 2]" 1 443 1 34 VAL H 1 88 ILE HA . . 4.500 2.647 2.547 2.812 . 0 0 "[ . 1 . 2]" 1 444 1 34 VAL H 1 88 ILE MG . . 5.500 4.224 4.061 4.430 . 0 0 "[ . 1 . 2]" 1 445 1 34 VAL H 1 89 VAL H . . 4.500 3.455 3.224 3.815 . 0 0 "[ . 1 . 2]" 1 446 1 34 VAL H 1 89 VAL QG . . 3.500 3.397 3.015 3.544 0.044 6 0 "[ . 1 . 2]" 1 447 1 34 VAL HA 1 34 VAL QG . . 2.800 2.278 2.217 2.346 . 0 0 "[ . 1 . 2]" 1 448 1 34 VAL HA 1 35 LYS H . . 2.800 2.237 2.188 2.269 . 0 0 "[ . 1 . 2]" 1 449 1 34 VAL HA 1 44 ILE HA . . 3.500 2.344 2.289 2.415 . 0 0 "[ . 1 . 2]" 1 450 1 34 VAL HA 1 44 ILE HB . . 7.000 5.135 5.055 5.283 . 0 0 "[ . 1 . 2]" 1 451 1 34 VAL HA 1 45 LEU H . . 4.500 3.772 3.654 3.858 . 0 0 "[ . 1 . 2]" 1 452 1 34 VAL HB 1 44 ILE MG . . 2.800 2.437 2.234 2.708 . 0 0 "[ . 1 . 2]" 1 453 1 34 VAL QG 1 35 LYS H . . 2.800 2.325 2.224 2.476 . 0 0 "[ . 1 . 2]" 1 454 1 34 VAL QG 1 44 ILE HA . . 3.500 3.098 2.877 3.279 . 0 0 "[ . 1 . 2]" 1 455 1 34 VAL QG 1 44 ILE HB . . 4.500 4.477 4.247 4.638 0.138 18 0 "[ . 1 . 2]" 1 456 1 34 VAL QG 1 44 ILE MD . . 3.500 3.342 3.150 3.514 0.014 18 0 "[ . 1 . 2]" 1 457 1 34 VAL QG 1 88 ILE H . . 5.500 4.492 4.340 4.651 . 0 0 "[ . 1 . 2]" 1 458 1 34 VAL QG 1 88 ILE HA . . 2.800 2.369 2.188 2.566 . 0 0 "[ . 1 . 2]" 1 459 1 34 VAL QG 1 88 ILE MD . . 3.500 3.111 2.931 3.261 . 0 0 "[ . 1 . 2]" 1 460 1 34 VAL QG 1 88 ILE MG . . 3.500 2.151 2.083 2.303 . 0 0 "[ . 1 . 2]" 1 461 1 34 VAL QG 1 89 VAL H . . 3.500 3.387 3.075 3.626 0.126 11 0 "[ . 1 . 2]" 1 462 1 35 LYS H 1 35 LYS HA . . 2.800 2.967 2.921 2.993 0.193 14 0 "[ . 1 . 2]" 1 463 1 35 LYS H 1 35 LYS QB . . 3.500 2.677 2.406 3.252 . 0 0 "[ . 1 . 2]" 1 464 1 35 LYS H 1 35 LYS QG . . 4.500 3.626 2.458 4.193 . 0 0 "[ . 1 . 2]" 1 465 1 35 LYS H 1 42 VAL QG . . 3.500 3.080 2.876 3.353 . 0 0 "[ . 1 . 2]" 1 466 1 35 LYS H 1 43 GLU H . . 3.500 2.836 2.737 2.925 . 0 0 "[ . 1 . 2]" 1 467 1 35 LYS H 1 89 VAL QG . . 5.500 4.461 4.156 5.148 . 0 0 "[ . 1 . 2]" 1 468 1 35 LYS HA 1 36 ASN H . . 2.800 2.385 2.217 2.572 . 0 0 "[ . 1 . 2]" 1 469 1 35 LYS HA 1 89 VAL H . . 4.500 3.242 2.722 3.600 . 0 0 "[ . 1 . 2]" 1 470 1 35 LYS HA 1 89 VAL QG . . 4.500 3.234 2.151 3.966 . 0 0 "[ . 1 . 2]" 1 471 1 35 LYS QB 1 35 LYS QD . . 3.500 2.333 2.069 2.431 . 0 0 "[ . 1 . 2]" 1 472 1 35 LYS QB 1 36 ASN H . . 3.500 3.210 2.410 3.604 0.104 15 0 "[ . 1 . 2]" 1 473 1 35 LYS QB 1 42 VAL QG . . 4.500 4.437 4.237 4.880 0.380 10 0 "[ . 1 . 2]" 1 474 1 35 LYS QB 1 89 VAL HB . . 2.800 3.123 2.088 5.093 2.293 6 5 "[ * .+ 1 .*- *]" 1 475 1 35 LYS QB 1 89 VAL QG . . 3.500 2.482 2.102 3.511 0.011 18 0 "[ . 1 . 2]" 1 476 1 35 LYS QD 1 89 VAL QG . . 2.800 2.608 2.264 2.844 0.044 20 0 "[ . 1 . 2]" 1 477 1 35 LYS QE 1 43 GLU QB . . 2.800 2.560 2.025 3.763 0.963 10 3 "[ . -+ .* 2]" 1 478 1 35 LYS QG 1 42 VAL QG . . 4.500 4.798 4.094 5.290 0.790 17 4 "[ . * 1 * +- 2]" 1 479 1 35 LYS QG 1 43 GLU H . . 4.500 4.310 3.051 4.945 0.445 7 0 "[ . 1 . 2]" 1 480 1 35 LYS QG 1 89 VAL QG . . 4.500 2.592 2.086 3.638 . 0 0 "[ . 1 . 2]" 1 481 1 36 ASN H 1 42 VAL QG . . 4.500 4.287 4.043 4.511 0.011 2 0 "[ . 1 . 2]" 1 482 1 36 ASN HA 1 37 ARG H . . 2.800 2.238 2.124 2.467 . 0 0 "[ . 1 . 2]" 1 483 1 36 ASN HA 1 42 VAL QG . . 2.800 2.653 2.258 2.844 0.044 2 0 "[ . 1 . 2]" 1 484 1 36 ASN HA 1 43 GLU H . . 5.500 3.504 3.252 4.001 . 0 0 "[ . 1 . 2]" 1 485 1 37 ARG H 1 37 ARG QB . . 3.500 2.448 2.220 3.233 . 0 0 "[ . 1 . 2]" 1 486 1 37 ARG H 1 37 ARG QG . . 4.500 2.865 2.214 4.076 . 0 0 "[ . 1 . 2]" 1 487 1 37 ARG H 1 41 ARG H . . 5.500 4.093 2.857 4.765 . 0 0 "[ . 1 . 2]" 1 488 1 37 ARG H 1 42 VAL HA . . 4.500 3.003 2.414 3.251 . 0 0 "[ . 1 . 2]" 1 489 1 37 ARG H 1 42 VAL HB . . 7.000 5.795 5.278 6.033 . 0 0 "[ . 1 . 2]" 1 490 1 37 ARG H 1 43 GLU H . . 5.500 4.278 3.657 4.722 . 0 0 "[ . 1 . 2]" 1 491 1 37 ARG QB 1 39 ASP H . . 4.500 2.884 2.216 4.428 . 0 0 "[ . 1 . 2]" 1 492 1 37 ARG QB 1 41 ARG H . . 5.500 3.218 2.380 5.273 . 0 0 "[ . 1 . 2]" 1 493 1 37 ARG QD 1 40 GLY H . . 5.500 5.214 4.788 5.623 0.123 9 0 "[ . 1 . 2]" 1 494 1 37 ARG QD 1 41 ARG H . . 5.500 4.314 3.609 4.996 . 0 0 "[ . 1 . 2]" 1 495 1 37 ARG QD 1 43 GLU H . . 5.500 4.652 4.109 5.339 . 0 0 "[ . 1 . 2]" 1 496 1 37 ARG QG 1 39 ASP QB . . 4.500 4.603 2.356 7.641 3.141 9 8 "[*- . +*** *.* 2]" 1 497 1 39 ASP H 1 39 ASP QB . . 3.500 2.269 2.003 2.500 . 0 0 "[ . 1 . 2]" 1 498 1 39 ASP H 1 41 ARG H . . 5.500 4.267 3.260 4.861 . 0 0 "[ . 1 . 2]" 1 499 1 39 ASP HA 1 39 ASP QB . . 2.800 2.271 2.120 2.381 . 0 0 "[ . 1 . 2]" 1 500 1 39 ASP HA 1 40 GLY H . . 4.500 3.454 2.933 3.553 . 0 0 "[ . 1 . 2]" 1 501 1 40 GLY H 1 41 ARG H . . 3.500 2.506 1.975 3.026 . 0 0 "[ . 1 . 2]" 1 502 1 40 GLY H 1 42 VAL HA . . 7.000 6.372 5.890 6.779 . 0 0 "[ . 1 . 2]" 1 503 1 40 GLY QA 1 41 ARG H . . 5.500 2.867 2.628 2.979 . 0 0 "[ . 1 . 2]" 1 504 1 41 ARG H 1 41 ARG QD . . 4.500 3.143 1.884 4.537 0.037 4 0 "[ . 1 . 2]" 1 505 1 41 ARG H 1 42 VAL H . . 5.500 4.603 4.338 4.691 . 0 0 "[ . 1 . 2]" 1 506 1 41 ARG HA 1 42 VAL H . . 2.800 2.361 2.227 2.543 . 0 0 "[ . 1 . 2]" 1 507 1 41 ARG HA 1 42 VAL QG . . 4.500 3.838 3.211 4.192 . 0 0 "[ . 1 . 2]" 1 508 1 41 ARG QD 1 42 VAL H . . 5.500 4.507 3.315 5.301 . 0 0 "[ . 1 . 2]" 1 509 1 42 VAL H 1 42 VAL QG . . 3.500 2.849 2.660 2.991 . 0 0 "[ . 1 . 2]" 1 510 1 42 VAL H 1 43 GLU H . . 4.500 4.460 4.335 4.541 0.041 2 0 "[ . 1 . 2]" 1 511 1 42 VAL HA 1 42 VAL QG . . 2.800 2.136 2.093 2.179 . 0 0 "[ . 1 . 2]" 1 512 1 42 VAL HB 1 43 GLU H . . 4.500 4.091 3.889 4.205 . 0 0 "[ . 1 . 2]" 1 513 1 42 VAL QG 1 43 GLU H . . 2.800 2.324 2.186 2.493 . 0 0 "[ . 1 . 2]" 1 514 1 42 VAL QG 1 43 GLU QG . . 4.500 4.880 4.755 5.051 0.551 15 1 "[ . 1 + 2]" 1 515 1 43 GLU H 1 43 GLU QB . . 3.500 2.514 2.309 2.652 . 0 0 "[ . 1 . 2]" 1 516 1 43 GLU HA 1 43 GLU QG . . 3.500 2.448 2.332 2.651 . 0 0 "[ . 1 . 2]" 1 517 1 43 GLU HA 1 44 ILE H . . 2.800 2.255 2.222 2.294 . 0 0 "[ . 1 . 2]" 1 518 1 43 GLU QG 1 44 ILE H . . 2.800 2.462 2.257 2.626 . 0 0 "[ . 1 . 2]" 1 519 1 44 ILE H 1 44 ILE HB . . 2.800 2.901 2.881 2.927 0.127 7 0 "[ . 1 . 2]" 1 520 1 44 ILE H 1 44 ILE MG . . 4.500 3.938 3.925 3.952 . 0 0 "[ . 1 . 2]" 1 521 1 44 ILE H 1 45 LEU H . . 4.500 4.337 4.256 4.373 . 0 0 "[ . 1 . 2]" 1 522 1 44 ILE HA 1 44 ILE MG . . 2.800 2.262 2.237 2.290 . 0 0 "[ . 1 . 2]" 1 523 1 44 ILE HA 1 45 LEU H . . 2.800 2.304 2.225 2.339 . 0 0 "[ . 1 . 2]" 1 524 1 44 ILE HB 1 45 LEU H . . 4.500 3.769 3.632 3.919 . 0 0 "[ . 1 . 2]" 1 525 1 44 ILE MD 1 44 ILE MG . . 2.800 2.110 2.076 2.138 . 0 0 "[ . 1 . 2]" 1 526 1 44 ILE MD 1 56 PHE QD . . 5.500 4.455 4.130 4.796 . 0 0 "[ . 1 . 2]" 1 527 1 44 ILE MD 1 60 VAL QG . . 2.800 2.245 2.002 2.448 . 0 0 "[ . 1 . 2]" 1 528 1 44 ILE MG 1 45 LEU H . . 2.800 2.404 2.269 2.589 . 0 0 "[ . 1 . 2]" 1 529 1 44 ILE MG 1 46 ALA H . . 5.500 4.695 4.553 4.858 . 0 0 "[ . 1 . 2]" 1 530 1 44 ILE MG 1 47 GLU H . . 7.000 6.898 6.705 7.116 0.116 9 0 "[ . 1 . 2]" 1 531 1 44 ILE MG 1 56 PHE QD . . 5.500 4.570 4.343 4.835 . 0 0 "[ . 1 . 2]" 1 532 1 44 ILE MG 1 59 ALA MB . . 7.000 6.953 6.679 7.321 0.321 12 0 "[ . 1 . 2]" 1 533 1 44 ILE MG 1 60 VAL QG . . 4.500 3.762 3.428 4.024 . 0 0 "[ . 1 . 2]" 1 534 1 45 LEU H 1 45 LEU QB . . 3.500 2.657 2.519 2.722 . 0 0 "[ . 1 . 2]" 1 535 1 45 LEU H 1 46 ALA H . . 5.500 4.199 4.120 4.305 . 0 0 "[ . 1 . 2]" 1 536 1 45 LEU HA 1 45 LEU QD . . 3.500 2.967 2.338 3.143 . 0 0 "[ . 1 . 2]" 1 537 1 45 LEU HA 1 45 LEU HG . . 3.500 2.575 2.467 2.885 . 0 0 "[ . 1 . 2]" 1 538 1 45 LEU HA 1 46 ALA H . . 2.800 2.266 2.229 2.390 . 0 0 "[ . 1 . 2]" 1 539 1 45 LEU QB 1 45 LEU QD . . 2.800 1.917 1.900 1.955 . 0 0 "[ . 1 . 2]" 1 540 1 45 LEU QB 1 46 ALA H . . 5.500 3.885 3.811 3.960 . 0 0 "[ . 1 . 2]" 1 541 1 45 LEU QD 1 46 ALA H . . 3.500 3.019 2.527 3.456 . 0 0 "[ . 1 . 2]" 1 542 1 45 LEU QD 1 46 ALA HA . . 4.500 3.111 2.776 3.964 . 0 0 "[ . 1 . 2]" 1 543 1 45 LEU QD 1 46 ALA MB . . 4.500 4.068 3.878 4.503 0.003 10 0 "[ . 1 . 2]" 1 544 1 45 LEU HG 1 46 ALA H . . 3.500 3.080 2.577 3.554 0.054 5 0 "[ . 1 . 2]" 1 545 1 45 LEU HG 1 47 GLU HA . . 7.000 6.494 5.923 7.015 0.015 6 0 "[ . 1 . 2]" 1 546 1 46 ALA H 1 46 ALA MB . . 2.800 2.750 2.672 2.834 0.034 18 0 "[ . 1 . 2]" 1 547 1 46 ALA H 1 53 LEU QD . . 5.500 4.003 3.825 4.290 . 0 0 "[ . 1 . 2]" 1 548 1 46 ALA HA 1 47 GLU H . . 2.800 2.310 2.232 2.411 . 0 0 "[ . 1 . 2]" 1 549 1 46 ALA MB 1 47 GLU H . . 3.500 2.502 2.297 2.714 . 0 0 "[ . 1 . 2]" 1 550 1 46 ALA MB 1 53 LEU QD . . 3.500 2.801 2.454 3.085 . 0 0 "[ . 1 . 2]" 1 551 1 46 ALA MB 1 56 PHE QD . . 5.500 4.960 4.824 5.144 . 0 0 "[ . 1 . 2]" 1 552 1 47 GLU H 1 48 GLY H . . 5.500 4.526 4.462 4.595 . 0 0 "[ . 1 . 2]" 1 553 1 47 GLU H 1 53 LEU QD . . 5.500 3.982 3.580 4.208 . 0 0 "[ . 1 . 2]" 1 554 1 47 GLU H 1 81 GLU QG . . 4.500 4.024 3.130 4.522 0.022 6 0 "[ . 1 . 2]" 1 555 1 48 GLY H 1 49 PRO QD . . 4.500 4.340 4.309 4.384 . 0 0 "[ . 1 . 2]" 1 556 1 48 GLY H 1 53 LEU QD . . 2.800 2.453 2.217 2.601 . 0 0 "[ . 1 . 2]" 1 557 1 48 GLY H 1 53 LEU HG . . 4.500 3.928 3.781 4.080 . 0 0 "[ . 1 . 2]" 1 558 1 48 GLY H 1 80 LEU QD . . 5.500 3.762 3.074 4.571 . 0 0 "[ . 1 . 2]" 1 559 1 48 GLY H 1 81 GLU QG . . 7.000 6.315 5.961 6.677 . 0 0 "[ . 1 . 2]" 1 560 1 48 GLY QA 1 49 PRO QD . . 2.800 2.124 2.103 2.162 . 0 0 "[ . 1 . 2]" 1 561 1 48 GLY QA 1 53 LEU H . . 5.500 4.327 4.126 4.463 . 0 0 "[ . 1 . 2]" 1 562 1 49 PRO HA 1 50 GLU H . . 2.800 2.333 2.224 2.388 . 0 0 "[ . 1 . 2]" 1 563 1 49 PRO HA 1 52 ALA MB . . 4.500 4.555 4.527 4.584 0.084 1 0 "[ . 1 . 2]" 1 564 1 49 PRO QB 1 50 GLU H . . 4.500 2.837 2.708 2.962 . 0 0 "[ . 1 . 2]" 1 565 1 49 PRO QB 1 52 ALA MB . . 4.500 3.622 3.415 3.703 . 0 0 "[ . 1 . 2]" 1 566 1 49 PRO QD 1 52 ALA H . . 5.500 4.042 3.843 4.209 . 0 0 "[ . 1 . 2]" 1 567 1 49 PRO QD 1 52 ALA MB . . 2.800 2.217 2.087 2.335 . 0 0 "[ . 1 . 2]" 1 568 1 49 PRO QD 1 53 LEU H . . 5.500 4.244 4.040 4.329 . 0 0 "[ . 1 . 2]" 1 569 1 49 PRO QD 1 53 LEU QB . . 5.500 5.484 5.121 5.535 0.035 5 0 "[ . 1 . 2]" 1 570 1 49 PRO QG 1 52 ALA H . . 3.500 2.677 2.401 2.951 . 0 0 "[ . 1 . 2]" 1 571 1 49 PRO QG 1 52 ALA MB . . 3.500 2.067 2.005 2.099 . 0 0 "[ . 1 . 2]" 1 572 1 49 PRO QG 1 53 LEU H . . 4.500 4.143 4.050 4.200 . 0 0 "[ . 1 . 2]" 1 573 1 50 GLU H 1 53 LEU QD . . 7.000 3.926 3.787 4.072 . 0 0 "[ . 1 . 2]" 1 574 1 50 GLU HA 1 50 GLU QG . . 2.800 2.419 2.378 2.510 . 0 0 "[ . 1 . 2]" 1 575 1 50 GLU HA 1 51 ASN H . . 5.500 3.609 3.598 3.624 . 0 0 "[ . 1 . 2]" 1 576 1 50 GLU HA 1 53 LEU QB . . 2.800 2.704 2.518 2.821 0.021 20 0 "[ . 1 . 2]" 1 577 1 50 GLU HA 1 53 LEU QD . . 2.800 2.475 2.295 2.782 . 0 0 "[ . 1 . 2]" 1 578 1 50 GLU QG 1 54 GLN QE . . 4.500 3.479 2.433 4.522 0.022 8 0 "[ . 1 . 2]" 1 579 1 51 ASN H 1 52 ALA H . . 4.500 2.766 2.730 2.825 . 0 0 "[ . 1 . 2]" 1 580 1 51 ASN HA 1 52 ALA H . . 4.500 3.575 3.555 3.594 . 0 0 "[ . 1 . 2]" 1 581 1 51 ASN HA 1 53 LEU H . . 7.000 4.590 4.497 4.646 . 0 0 "[ . 1 . 2]" 1 582 1 51 ASN HA 1 54 GLN H . . 4.500 3.583 3.336 3.701 . 0 0 "[ . 1 . 2]" 1 583 1 51 ASN HA 1 54 GLN QB . . 2.800 2.803 2.709 2.854 0.054 4 0 "[ . 1 . 2]" 1 584 1 51 ASN HA 1 55 SER H . . 4.500 3.798 3.658 3.956 . 0 0 "[ . 1 . 2]" 1 585 1 52 ALA H 1 52 ALA MB . . 2.800 2.223 2.203 2.255 . 0 0 "[ . 1 . 2]" 1 586 1 52 ALA H 1 53 LEU H . . 3.500 2.574 2.482 2.648 . 0 0 "[ . 1 . 2]" 1 587 1 52 ALA H 1 54 GLN H . . 4.500 4.154 4.089 4.225 . 0 0 "[ . 1 . 2]" 1 588 1 52 ALA HA 1 53 LEU H . . 4.500 3.584 3.564 3.604 . 0 0 "[ . 1 . 2]" 1 589 1 52 ALA HA 1 56 PHE HA . . 7.000 6.227 6.044 6.475 . 0 0 "[ . 1 . 2]" 1 590 1 52 ALA MB 1 53 LEU HG . . 4.500 3.221 3.090 3.312 . 0 0 "[ . 1 . 2]" 1 591 1 53 LEU H 1 53 LEU QB . . 2.800 2.362 2.282 2.406 . 0 0 "[ . 1 . 2]" 1 592 1 53 LEU H 1 53 LEU QD . . 4.500 3.127 3.082 3.161 . 0 0 "[ . 1 . 2]" 1 593 1 53 LEU H 1 53 LEU HG . . 3.500 2.337 2.268 2.490 . 0 0 "[ . 1 . 2]" 1 594 1 53 LEU H 1 54 GLN H . . 3.500 2.789 2.766 2.831 . 0 0 "[ . 1 . 2]" 1 595 1 53 LEU H 1 54 GLN QG . . 7.000 4.667 4.479 4.836 . 0 0 "[ . 1 . 2]" 1 596 1 53 LEU H 1 55 SER H . . 5.500 4.267 4.205 4.345 . 0 0 "[ . 1 . 2]" 1 597 1 53 LEU H 1 56 PHE QD . . 7.000 6.572 6.283 6.696 . 0 0 "[ . 1 . 2]" 1 598 1 53 LEU HA 1 53 LEU QD . . 2.800 2.198 2.170 2.238 . 0 0 "[ . 1 . 2]" 1 599 1 53 LEU HA 1 56 PHE H . . 3.500 3.657 3.471 3.792 0.292 18 0 "[ . 1 . 2]" 1 600 1 53 LEU HA 1 56 PHE QB . . 3.500 2.645 2.527 2.788 . 0 0 "[ . 1 . 2]" 1 601 1 53 LEU HA 1 57 VAL H . . 5.500 4.176 4.106 4.251 . 0 0 "[ . 1 . 2]" 1 602 1 53 LEU QB 1 54 GLN H . . 3.500 2.480 2.392 2.579 . 0 0 "[ . 1 . 2]" 1 603 1 53 LEU QB 1 55 SER H . . 5.500 4.755 4.662 4.852 . 0 0 "[ . 1 . 2]" 1 604 1 53 LEU QD 1 54 GLN H . . 5.500 4.059 3.994 4.134 . 0 0 "[ . 1 . 2]" 1 605 1 53 LEU QD 1 56 PHE QD . . 5.500 4.460 4.227 4.652 . 0 0 "[ . 1 . 2]" 1 606 1 53 LEU QD 1 74 VAL QG . . 5.500 4.874 4.583 5.267 . 0 0 "[ . 1 . 2]" 1 607 1 53 LEU HG 1 54 GLN H . . 5.500 4.478 4.395 4.616 . 0 0 "[ . 1 . 2]" 1 608 1 54 GLN H 1 54 GLN HA . . 2.800 2.849 2.831 2.861 0.061 1 0 "[ . 1 . 2]" 1 609 1 54 GLN H 1 54 GLN QB . . 2.800 2.378 2.296 2.653 . 0 0 "[ . 1 . 2]" 1 610 1 54 GLN H 1 54 GLN QG . . 3.500 2.453 2.295 2.641 . 0 0 "[ . 1 . 2]" 1 611 1 54 GLN H 1 55 SER HA . . 7.000 5.385 5.337 5.435 . 0 0 "[ . 1 . 2]" 1 612 1 54 GLN H 1 56 PHE QD . . 7.000 6.351 6.063 6.539 . 0 0 "[ . 1 . 2]" 1 613 1 54 GLN H 1 57 VAL QG . . 4.500 4.513 4.406 4.551 0.051 8 0 "[ . 1 . 2]" 1 614 1 54 GLN HA 1 55 SER H . . 3.500 3.578 3.562 3.591 0.091 18 0 "[ . 1 . 2]" 1 615 1 54 GLN HA 1 56 PHE QD . . 5.500 5.467 5.273 5.546 0.046 4 0 "[ . 1 . 2]" 1 616 1 54 GLN HA 1 57 VAL HB . . 2.800 2.457 2.293 2.621 . 0 0 "[ . 1 . 2]" 1 617 1 54 GLN HA 1 58 GLU H . . 5.500 4.074 3.904 4.159 . 0 0 "[ . 1 . 2]" 1 618 1 54 GLN QB 1 55 SER H . . 3.500 2.714 2.538 2.897 . 0 0 "[ . 1 . 2]" 1 619 1 54 GLN QG 1 55 SER H . . 5.500 4.299 4.116 4.438 . 0 0 "[ . 1 . 2]" 1 620 1 54 GLN QG 1 56 PHE H . . 7.000 5.927 5.612 6.153 . 0 0 "[ . 1 . 2]" 1 621 1 55 SER H 1 55 SER HA . . 2.800 2.862 2.839 2.888 0.089 20 0 "[ . 1 . 2]" 1 622 1 55 SER H 1 55 SER QB . . 2.800 2.527 2.505 2.555 . 0 0 "[ . 1 . 2]" 1 623 1 55 SER H 1 56 PHE H . . 2.800 2.729 2.648 2.769 . 0 0 "[ . 1 . 2]" 1 624 1 55 SER HA 1 55 SER QB . . 2.800 2.350 2.320 2.363 . 0 0 "[ . 1 . 2]" 1 625 1 55 SER HA 1 56 PHE H . . 4.500 3.602 3.589 3.619 . 0 0 "[ . 1 . 2]" 1 626 1 55 SER HA 1 57 VAL H . . 7.000 4.563 4.429 4.630 . 0 0 "[ . 1 . 2]" 1 627 1 55 SER HA 1 58 GLU H . . 4.500 3.394 3.125 3.517 . 0 0 "[ . 1 . 2]" 1 628 1 55 SER QB 1 56 PHE H . . 3.500 2.607 2.530 2.795 . 0 0 "[ . 1 . 2]" 1 629 1 55 SER QB 1 57 VAL H . . 5.500 4.912 4.867 5.003 . 0 0 "[ . 1 . 2]" 1 630 1 56 PHE H 1 56 PHE QB . . 2.800 2.185 2.158 2.219 . 0 0 "[ . 1 . 2]" 1 631 1 56 PHE H 1 56 PHE QD . . 4.500 4.139 4.083 4.184 . 0 0 "[ . 1 . 2]" 1 632 1 56 PHE H 1 58 GLU H . . 5.500 4.315 4.259 4.375 . 0 0 "[ . 1 . 2]" 1 633 1 56 PHE H 1 59 ALA H . . 5.500 4.686 4.629 4.731 . 0 0 "[ . 1 . 2]" 1 634 1 56 PHE H 1 59 ALA MB . . 4.500 4.596 4.545 4.683 0.183 16 0 "[ . 1 . 2]" 1 635 1 56 PHE HA 1 56 PHE QB . . 2.800 2.314 2.293 2.355 . 0 0 "[ . 1 . 2]" 1 636 1 56 PHE HA 1 56 PHE QD . . 3.500 3.106 2.925 3.310 . 0 0 "[ . 1 . 2]" 1 637 1 56 PHE HA 1 59 ALA MB . . 2.800 2.429 2.360 2.507 . 0 0 "[ . 1 . 2]" 1 638 1 56 PHE QB 1 56 PHE QD . . 2.800 2.165 2.150 2.176 . 0 0 "[ . 1 . 2]" 1 639 1 56 PHE QB 1 57 VAL H . . 4.500 2.628 2.529 2.708 . 0 0 "[ . 1 . 2]" 1 640 1 56 PHE QD 1 57 VAL H . . 4.500 2.895 2.795 2.981 . 0 0 "[ . 1 . 2]" 1 641 1 56 PHE QD 1 57 VAL QG . . 2.800 2.620 2.382 2.811 0.011 1 0 "[ . 1 . 2]" 1 642 1 56 PHE QD 1 60 VAL QG . . 3.500 3.038 2.758 3.299 . 0 0 "[ . 1 . 2]" 1 643 1 56 PHE QD 1 74 VAL QG . . 5.500 5.068 4.886 5.342 . 0 0 "[ . 1 . 2]" 1 644 1 57 VAL H 1 57 VAL HA . . 2.800 2.812 2.806 2.819 0.019 19 0 "[ . 1 . 2]" 1 645 1 57 VAL H 1 57 VAL HB . . 2.800 2.411 2.361 2.461 . 0 0 "[ . 1 . 2]" 1 646 1 57 VAL H 1 57 VAL QG . . 2.800 2.261 2.217 2.299 . 0 0 "[ . 1 . 2]" 1 647 1 57 VAL H 1 58 GLU H . . 3.500 2.906 2.868 2.938 . 0 0 "[ . 1 . 2]" 1 648 1 57 VAL H 1 59 ALA H . . 4.500 4.234 4.175 4.285 . 0 0 "[ . 1 . 2]" 1 649 1 57 VAL HA 1 57 VAL QG . . 2.800 2.197 2.179 2.211 . 0 0 "[ . 1 . 2]" 1 650 1 57 VAL HA 1 58 GLU H . . 4.500 3.627 3.617 3.638 . 0 0 "[ . 1 . 2]" 1 651 1 57 VAL HA 1 59 ALA H . . 5.500 4.405 4.365 4.462 . 0 0 "[ . 1 . 2]" 1 652 1 57 VAL HA 1 60 VAL H . . 3.500 3.406 3.288 3.506 0.006 14 0 "[ . 1 . 2]" 1 653 1 57 VAL HA 1 60 VAL HB . . 3.500 3.097 2.658 3.378 . 0 0 "[ . 1 . 2]" 1 654 1 57 VAL HA 1 60 VAL QG . . 2.800 2.832 2.805 2.866 0.066 15 0 "[ . 1 . 2]" 1 655 1 57 VAL HA 1 61 LYS H . . 7.000 3.911 3.795 4.026 . 0 0 "[ . 1 . 2]" 1 656 1 57 VAL HB 1 58 GLU H . . 2.800 2.759 2.665 2.827 0.027 18 0 "[ . 1 . 2]" 1 657 1 57 VAL HB 1 74 VAL QG . . 4.500 4.025 3.852 4.479 . 0 0 "[ . 1 . 2]" 1 658 1 57 VAL QG 1 58 GLU H . . 3.500 3.175 3.093 3.254 . 0 0 "[ . 1 . 2]" 1 659 1 57 VAL QG 1 58 GLU HA . . 3.500 3.430 3.351 3.508 0.008 9 0 "[ . 1 . 2]" 1 660 1 57 VAL QG 1 59 ALA H . . 5.500 4.684 4.626 4.719 . 0 0 "[ . 1 . 2]" 1 661 1 57 VAL QG 1 60 VAL H . . 5.500 4.427 4.321 4.515 . 0 0 "[ . 1 . 2]" 1 662 1 57 VAL QG 1 61 LYS QG . . 3.500 4.452 2.656 4.840 1.340 4 19 "[***+-************* *]" 1 663 1 57 VAL QG 1 72 ILE MD . . 4.500 2.595 2.260 2.955 . 0 0 "[ . 1 . 2]" 1 664 1 57 VAL QG 1 72 ILE MG . . 5.500 4.270 3.731 4.674 . 0 0 "[ . 1 . 2]" 1 665 1 57 VAL QG 1 74 VAL QG . . 2.800 1.998 1.871 2.341 . 0 0 "[ . 1 . 2]" 1 666 1 58 GLU H 1 58 GLU HA . . 2.800 2.836 2.827 2.850 0.050 18 0 "[ . 1 . 2]" 1 667 1 58 GLU H 1 59 ALA H . . 2.800 2.751 2.713 2.802 0.002 20 0 "[ . 1 . 2]" 1 668 1 58 GLU H 1 60 VAL H . . 4.500 4.348 4.253 4.463 . 0 0 "[ . 1 . 2]" 1 669 1 58 GLU H 1 60 VAL QG . . 5.500 4.991 4.966 5.016 . 0 0 "[ . 1 . 2]" 1 670 1 58 GLU H 1 61 LYS H . . 5.500 4.787 4.741 4.907 . 0 0 "[ . 1 . 2]" 1 671 1 58 GLU H 1 61 LYS QB . . 5.500 4.662 4.527 4.931 . 0 0 "[ . 1 . 2]" 1 672 1 58 GLU HA 1 59 ALA H . . 3.500 3.562 3.553 3.580 0.080 8 0 "[ . 1 . 2]" 1 673 1 58 GLU HA 1 61 LYS H . . 4.500 3.466 3.364 3.630 . 0 0 "[ . 1 . 2]" 1 674 1 58 GLU HA 1 61 LYS QG . . 4.500 4.447 3.767 4.522 0.022 18 0 "[ . 1 . 2]" 1 675 1 59 ALA H 1 59 ALA HA . . 2.800 2.852 2.846 2.862 0.062 1 0 "[ . 1 . 2]" 1 676 1 59 ALA H 1 59 ALA MB . . 2.800 2.238 2.205 2.261 . 0 0 "[ . 1 . 2]" 1 677 1 59 ALA H 1 60 VAL H . . 2.800 2.811 2.764 2.826 0.026 14 0 "[ . 1 . 2]" 1 678 1 59 ALA H 1 60 VAL QG . . 5.500 4.201 4.131 4.244 . 0 0 "[ . 1 . 2]" 1 679 1 59 ALA HA 1 60 VAL H . . 4.500 3.619 3.601 3.639 . 0 0 "[ . 1 . 2]" 1 680 1 59 ALA HA 1 62 ASN H . . 4.500 3.746 3.492 4.059 . 0 0 "[ . 1 . 2]" 1 681 1 59 ALA HA 1 64 SER QB . . 4.500 4.367 3.607 4.578 0.078 1 0 "[ . 1 . 2]" 1 682 1 59 ALA HA 1 65 PRO QD . . 5.500 5.319 4.532 5.549 0.049 20 0 "[ . 1 . 2]" 1 683 1 59 ALA MB 1 60 VAL H . . 2.800 2.607 2.538 2.708 . 0 0 "[ . 1 . 2]" 1 684 1 59 ALA MB 1 60 VAL QG . . 3.500 3.245 3.115 3.320 . 0 0 "[ . 1 . 2]" 1 685 1 60 VAL H 1 60 VAL HA . . 2.800 2.887 2.870 2.914 0.114 20 0 "[ . 1 . 2]" 1 686 1 60 VAL H 1 60 VAL HB . . 2.800 2.680 2.484 2.808 0.008 1 0 "[ . 1 . 2]" 1 687 1 60 VAL H 1 60 VAL QG . . 2.800 2.165 2.119 2.196 . 0 0 "[ . 1 . 2]" 1 688 1 60 VAL HA 1 60 VAL QG . . 2.800 2.148 2.131 2.190 . 0 0 "[ . 1 . 2]" 1 689 1 60 VAL QG 1 61 LYS H . . 4.500 3.212 3.048 3.291 . 0 0 "[ . 1 . 2]" 1 690 1 60 VAL QG 1 72 ILE MD . . 3.500 2.535 2.173 3.018 . 0 0 "[ . 1 . 2]" 1 691 1 61 LYS H 1 61 LYS QG . . 4.500 3.870 2.268 3.968 . 0 0 "[ . 1 . 2]" 1 692 1 61 LYS H 1 62 ASN H . . 3.500 2.854 2.829 2.882 . 0 0 "[ . 1 . 2]" 1 693 1 61 LYS HA 1 62 ASN H . . 4.500 3.584 3.569 3.599 . 0 0 "[ . 1 . 2]" 1 694 1 61 LYS HA 1 69 VAL QG . . 2.800 2.281 2.057 2.668 . 0 0 "[ . 1 . 2]" 1 695 1 61 LYS HA 1 72 ILE MD . . 3.500 2.890 2.415 3.510 0.010 19 0 "[ . 1 . 2]" 1 696 1 61 LYS QG 1 62 ASN H . . 5.500 3.840 3.623 4.371 . 0 0 "[ . 1 . 2]" 1 697 1 61 LYS QG 1 63 GLY QA . . 5.500 6.019 5.776 6.422 0.922 19 12 "[ **** **1* * - * +*]" 1 698 1 61 LYS QG 1 72 ILE MG . . 3.500 2.444 2.163 2.783 . 0 0 "[ . 1 . 2]" 1 699 1 62 ASN H 1 63 GLY H . . 3.500 2.733 2.663 2.827 . 0 0 "[ . 1 . 2]" 1 700 1 62 ASN H 1 72 ILE MD . . 7.000 5.262 5.018 5.758 . 0 0 "[ . 1 . 2]" 1 701 1 62 ASN QD 1 65 PRO QD . . 4.500 4.535 4.493 4.574 0.074 2 0 "[ . 1 . 2]" 1 702 1 63 GLY H 1 63 GLY QA . . 2.800 2.182 2.151 2.228 . 0 0 "[ . 1 . 2]" 1 703 1 64 SER QB 1 65 PRO QD . . 2.800 2.036 1.965 2.125 . 0 0 "[ . 1 . 2]" 1 704 1 66 PHE QB 1 67 SER H . . 4.500 3.208 2.237 4.062 . 0 0 "[ . 1 . 2]" 1 705 1 66 PHE QD 1 67 SER H . . 5.500 2.999 2.128 4.840 . 0 0 "[ . 1 . 2]" 1 706 1 67 SER HA 1 68 LYS H . . 4.500 2.490 2.292 4.100 . 0 0 "[ . 1 . 2]" 1 707 1 68 LYS HA 1 68 LYS QG . . 3.500 3.443 2.349 3.524 0.024 17 0 "[ . 1 . 2]" 1 708 1 68 LYS HA 1 69 VAL H . . 2.800 2.344 2.236 2.456 . 0 0 "[ . 1 . 2]" 1 709 1 68 LYS QE 1 68 LYS QG . . 3.500 2.385 2.117 2.891 . 0 0 "[ . 1 . 2]" 1 710 1 68 LYS QE 1 70 THR MG . . 3.500 2.875 2.064 3.515 0.015 18 0 "[ . 1 . 2]" 1 711 1 69 VAL HA 1 70 THR H . . 2.800 2.268 2.187 2.308 . 0 0 "[ . 1 . 2]" 1 712 1 69 VAL HB 1 71 ASP H . . 4.500 2.923 2.370 4.565 0.065 18 0 "[ . 1 . 2]" 1 713 1 69 VAL QG 1 71 ASP HA . . 3.500 4.306 3.561 4.651 1.151 13 17 "[ -**.*******+**** **]" 1 714 1 70 THR H 1 71 ASP H . . 2.800 1.811 1.789 1.954 . 0 0 "[ . 1 . 2]" 1 715 1 70 THR HA 1 70 THR HB . . 2.800 2.518 2.494 2.541 . 0 0 "[ . 1 . 2]" 1 716 1 70 THR HA 1 70 THR MG . . 2.800 2.328 2.311 2.348 . 0 0 "[ . 1 . 2]" 1 717 1 70 THR HA 1 71 ASP H . . 4.500 3.447 3.368 3.493 . 0 0 "[ . 1 . 2]" 1 718 1 70 THR MG 1 71 ASP H . . 4.500 4.285 4.239 4.350 . 0 0 "[ . 1 . 2]" 1 719 1 71 ASP H 1 71 ASP QB . . 3.500 2.705 2.571 2.789 . 0 0 "[ . 1 . 2]" 1 720 1 71 ASP H 1 72 ILE H . . 4.500 4.243 4.137 4.304 . 0 0 "[ . 1 . 2]" 1 721 1 71 ASP H 1 72 ILE HA . . 5.500 4.749 4.697 4.800 . 0 0 "[ . 1 . 2]" 1 722 1 71 ASP QB 1 72 ILE H . . 4.500 3.649 3.571 3.747 . 0 0 "[ . 1 . 2]" 1 723 1 72 ILE H 1 72 ILE HB . . 3.500 3.458 3.327 3.523 0.023 9 0 "[ . 1 . 2]" 1 724 1 72 ILE H 1 72 ILE MG . . 2.800 2.453 2.340 2.518 . 0 0 "[ . 1 . 2]" 1 725 1 72 ILE H 1 73 SER H . . 4.500 4.229 4.139 4.334 . 0 0 "[ . 1 . 2]" 1 726 1 72 ILE HA 1 72 ILE HB . . 2.800 2.392 2.341 2.431 . 0 0 "[ . 1 . 2]" 1 727 1 72 ILE HA 1 72 ILE QG . . 3.500 2.410 2.364 2.490 . 0 0 "[ . 1 . 2]" 1 728 1 72 ILE HA 1 73 SER H . . 2.800 2.210 2.178 2.247 . 0 0 "[ . 1 . 2]" 1 729 1 72 ILE HB 1 72 ILE MD . . 2.800 2.349 2.331 2.362 . 0 0 "[ . 1 . 2]" 1 730 1 72 ILE HB 1 72 ILE QG . . 2.800 2.437 2.422 2.455 . 0 0 "[ . 1 . 2]" 1 731 1 72 ILE HB 1 73 SER H . . 4.500 4.070 4.010 4.121 . 0 0 "[ . 1 . 2]" 1 732 1 72 ILE QG 1 72 ILE MG . . 2.800 2.320 2.306 2.337 . 0 0 "[ . 1 . 2]" 1 733 1 72 ILE QG 1 73 SER H . . 3.500 2.410 2.249 2.595 . 0 0 "[ . 1 . 2]" 1 734 1 72 ILE MG 1 73 SER H . . 4.500 4.086 3.902 4.262 . 0 0 "[ . 1 . 2]" 1 735 1 73 SER H 1 74 VAL HA . . 5.500 4.709 4.631 4.759 . 0 0 "[ . 1 . 2]" 1 736 1 73 SER HA 1 74 VAL QG . . 3.500 3.253 3.127 3.490 . 0 0 "[ . 1 . 2]" 1 737 1 74 VAL H 1 74 VAL HB . . 2.800 2.757 2.660 2.886 0.086 6 0 "[ . 1 . 2]" 1 738 1 74 VAL H 1 74 VAL QG . . 2.800 2.737 2.046 2.825 0.025 20 0 "[ . 1 . 2]" 1 739 1 74 VAL HA 1 74 VAL QG . . 2.800 2.192 2.170 2.291 . 0 0 "[ . 1 . 2]" 1 740 1 74 VAL HA 1 75 THR H . . 2.800 2.202 2.158 2.236 . 0 0 "[ . 1 . 2]" 1 741 1 74 VAL HA 1 76 GLU HA . . 7.000 6.595 6.400 6.770 . 0 0 "[ . 1 . 2]" 1 742 1 74 VAL QG 1 75 THR H . . 2.800 2.447 2.334 2.594 . 0 0 "[ . 1 . 2]" 1 743 1 74 VAL QG 1 76 GLU H . . 5.500 4.318 3.889 4.531 . 0 0 "[ . 1 . 2]" 1 744 1 75 THR H 1 75 THR HB . . 3.500 2.825 2.747 2.981 . 0 0 "[ . 1 . 2]" 1 745 1 75 THR H 1 75 THR HG1 . . 3.500 2.732 2.377 2.871 . 0 0 "[ . 1 . 2]" 1 746 1 75 THR HA 1 75 THR MG . . 2.800 2.359 2.289 2.387 . 0 0 "[ . 1 . 2]" 1 747 1 75 THR HA 1 76 GLU H . . 2.800 2.408 2.336 2.475 . 0 0 "[ . 1 . 2]" 1 748 1 75 THR HB 1 75 THR HG1 . . 2.800 2.300 2.237 2.459 . 0 0 "[ . 1 . 2]" 1 749 1 75 THR HB 1 76 GLU H . . 4.500 3.770 3.465 4.038 . 0 0 "[ . 1 . 2]" 1 750 1 75 THR MG 1 76 GLU H . . 3.500 2.374 2.236 2.589 . 0 0 "[ . 1 . 2]" 1 751 1 76 GLU HA 1 77 SER H . . 2.800 2.266 2.185 2.370 . 0 0 "[ . 1 . 2]" 1 752 1 77 SER H 1 77 SER QB . . 3.500 2.753 2.602 3.127 . 0 0 "[ . 1 . 2]" 1 753 1 77 SER HA 1 79 SER QB . . 7.000 5.574 4.844 6.019 . 0 0 "[ . 1 . 2]" 1 754 1 77 SER QB 1 78 ARG H . . 5.500 2.504 2.198 2.898 . 0 0 "[ . 1 . 2]" 1 755 1 77 SER QB 1 79 SER H . . 2.800 2.536 2.182 2.975 0.175 14 0 "[ . 1 . 2]" 1 756 1 78 ARG H 1 78 ARG QB . . 3.500 2.562 2.255 3.293 . 0 0 "[ . 1 . 2]" 1 757 1 78 ARG H 1 79 SER H . . 4.500 2.300 1.930 3.159 . 0 0 "[ . 1 . 2]" 1 758 1 78 ARG H 1 80 LEU H . . 7.000 5.519 4.346 6.952 . 0 0 "[ . 1 . 2]" 1 759 1 78 ARG HA 1 78 ARG QB . . 2.800 2.382 2.136 2.526 . 0 0 "[ . 1 . 2]" 1 760 1 78 ARG HA 1 78 ARG QG . . 3.500 2.778 2.345 3.491 . 0 0 "[ . 1 . 2]" 1 761 1 78 ARG HA 1 80 LEU QD . . 3.500 3.767 2.983 4.544 1.044 13 7 "[ ** * 1* +-. * 2]" 1 762 1 78 ARG QB 1 79 SER H . . 4.500 3.479 2.880 4.091 . 0 0 "[ . 1 . 2]" 1 763 1 79 SER H 1 80 LEU HA . . 5.500 5.228 4.671 5.824 0.324 11 0 "[ . 1 . 2]" 1 764 1 79 SER HA 1 79 SER QB . . 2.800 2.309 2.263 2.336 . 0 0 "[ . 1 . 2]" 1 765 1 79 SER HA 1 80 LEU H . . 3.500 2.832 2.149 3.561 0.061 15 0 "[ . 1 . 2]" 1 766 1 79 SER QB 1 80 LEU H . . 4.500 3.182 2.519 3.950 . 0 0 "[ . 1 . 2]" 1 767 1 80 LEU H 1 80 LEU QD . . 3.500 2.566 2.018 2.970 . 0 0 "[ . 1 . 2]" 1 768 1 80 LEU HA 1 80 LEU QD . . 3.500 2.353 2.114 3.433 . 0 0 "[ . 1 . 2]" 1 769 1 80 LEU HA 1 80 LEU HG . . 4.500 2.982 2.396 3.744 . 0 0 "[ . 1 . 2]" 1 770 1 80 LEU HA 1 81 GLU H . . 2.800 2.471 2.216 2.666 . 0 0 "[ . 1 . 2]" 1 771 1 80 LEU HA 1 81 GLU QG . . 4.500 3.510 2.922 3.800 . 0 0 "[ . 1 . 2]" 1 772 1 80 LEU HA 1 82 GLY H . . 4.500 4.173 3.844 4.446 . 0 0 "[ . 1 . 2]" 1 773 1 80 LEU QD 1 82 GLY H . . 5.500 3.932 2.798 4.591 . 0 0 "[ . 1 . 2]" 1 774 1 81 GLU H 1 81 GLU QG . . 4.500 2.553 2.165 3.226 . 0 0 "[ . 1 . 2]" 1 775 1 81 GLU H 1 82 GLY H . . 3.500 1.971 1.780 2.446 . 0 0 "[ . 1 . 2]" 1 776 1 81 GLU HA 1 81 GLU QG . . 3.500 3.160 2.518 3.517 0.017 2 0 "[ . 1 . 2]" 1 777 1 81 GLU HA 1 82 GLY H . . 4.500 3.492 3.286 3.588 . 0 0 "[ . 1 . 2]" 1 778 1 82 GLY H 1 82 GLY QA . . 2.800 2.233 2.178 2.334 . 0 0 "[ . 1 . 2]" 1 779 1 82 GLY H 1 83 HIS H . . 3.500 2.443 2.146 2.867 . 0 0 "[ . 1 . 2]" 1 780 1 82 GLY QA 1 83 HIS H . . 4.500 2.871 2.585 3.059 . 0 0 "[ . 1 . 2]" 1 781 1 83 HIS H 1 83 HIS QB . . 3.500 2.355 2.157 3.171 . 0 0 "[ . 1 . 2]" 1 782 1 83 HIS H 1 85 ARG QG . . 7.000 6.727 5.766 7.077 0.077 13 0 "[ . 1 . 2]" 1 783 1 83 HIS HA 1 85 ARG QG . . 7.000 4.549 4.042 4.938 . 0 0 "[ . 1 . 2]" 1 784 1 85 ARG H 1 85 ARG QG . . 4.500 2.698 2.413 3.288 . 0 0 "[ . 1 . 2]" 1 785 1 85 ARG H 1 86 PHE H . . 5.500 4.350 4.299 4.411 . 0 0 "[ . 1 . 2]" 1 786 1 85 ARG HA 1 86 PHE H . . 2.800 2.496 2.317 2.643 . 0 0 "[ . 1 . 2]" 1 787 1 85 ARG QG 1 86 PHE H . . 4.500 3.869 3.260 4.423 . 0 0 "[ . 1 . 2]" 1 788 1 86 PHE H 1 86 PHE QB . . 3.500 2.938 2.602 3.234 . 0 0 "[ . 1 . 2]" 1 789 1 86 PHE H 1 86 PHE QD . . 5.500 2.839 2.416 3.263 . 0 0 "[ . 1 . 2]" 1 790 1 86 PHE H 1 87 SER H . . 7.000 4.438 4.040 4.613 . 0 0 "[ . 1 . 2]" 1 791 1 86 PHE HA 1 87 SER H . . 2.800 2.269 2.161 2.377 . 0 0 "[ . 1 . 2]" 1 792 1 86 PHE QB 1 87 SER H . . 4.500 2.929 2.488 3.420 . 0 0 "[ . 1 . 2]" 1 793 1 86 PHE QD 1 87 SER H . . 4.500 3.985 3.358 4.483 . 0 0 "[ . 1 . 2]" 1 794 1 87 SER H 1 87 SER QB . . 3.500 2.635 2.514 2.807 . 0 0 "[ . 1 . 2]" 1 795 1 87 SER HA 1 87 SER QB . . 2.800 2.348 2.261 2.385 . 0 0 "[ . 1 . 2]" 1 796 1 87 SER HA 1 88 ILE H . . 2.800 2.357 2.229 2.441 . 0 0 "[ . 1 . 2]" 1 797 1 87 SER QB 1 88 ILE H . . 3.500 2.580 2.389 2.811 . 0 0 "[ . 1 . 2]" 1 798 1 88 ILE H 1 88 ILE HB . . 2.800 2.771 2.689 2.831 0.031 18 0 "[ . 1 . 2]" 1 799 1 88 ILE H 1 88 ILE MD . . 4.500 4.277 4.161 4.395 . 0 0 "[ . 1 . 2]" 1 800 1 88 ILE H 1 88 ILE QG . . 3.500 2.868 2.808 2.980 . 0 0 "[ . 1 . 2]" 1 801 1 88 ILE H 1 88 ILE MG . . 4.500 3.907 3.868 3.925 . 0 0 "[ . 1 . 2]" 1 802 1 88 ILE H 1 90 TYR H . . 7.000 6.510 5.985 7.056 0.056 20 0 "[ . 1 . 2]" 1 803 1 88 ILE HA 1 88 ILE MG . . 2.800 2.349 2.282 2.418 . 0 0 "[ . 1 . 2]" 1 804 1 88 ILE HA 1 89 VAL H . . 2.800 2.177 2.138 2.241 . 0 0 "[ . 1 . 2]" 1 805 1 88 ILE HB 1 88 ILE MD . . 2.800 2.536 2.444 2.621 . 0 0 "[ . 1 . 2]" 1 806 1 88 ILE MD 1 88 ILE MG . . 2.800 2.079 2.064 2.087 . 0 0 "[ . 1 . 2]" 1 807 1 88 ILE QG 1 89 VAL H . . 4.500 4.379 4.324 4.495 . 0 0 "[ . 1 . 2]" 1 808 1 88 ILE MG 1 89 VAL H . . 3.500 2.915 2.579 3.133 . 0 0 "[ . 1 . 2]" 1 809 1 89 VAL H 1 89 VAL HB . . 3.500 2.688 2.403 3.652 0.152 16 0 "[ . 1 . 2]" 1 810 1 89 VAL H 1 89 VAL QG . . 2.800 2.254 2.051 2.662 . 0 0 "[ . 1 . 2]" 1 811 1 89 VAL H 1 90 TYR H . . 5.500 4.546 4.309 4.675 . 0 0 "[ . 1 . 2]" 1 812 1 89 VAL HA 1 89 VAL QG . . 2.800 2.203 2.158 2.392 . 0 0 "[ . 1 . 2]" 1 813 1 89 VAL HA 1 90 TYR H . . 2.800 2.302 2.204 2.470 . 0 0 "[ . 1 . 2]" 1 814 1 89 VAL HA 1 91 SER HA . . 7.000 6.471 6.049 6.979 . 0 0 "[ . 1 . 2]" 1 815 1 89 VAL QG 1 90 TYR H . . 3.500 2.473 2.032 3.120 . 0 0 "[ . 1 . 2]" 1 816 1 89 VAL QG 1 91 SER H . . 3.500 2.360 1.837 3.032 . 0 0 "[ . 1 . 2]" 1 817 1 89 VAL QG 1 91 SER HA . . 3.500 4.183 3.350 4.798 1.298 7 15 "[ * *.*+**1****** *-*]" 1 818 1 90 TYR H 1 90 TYR QB . . 3.500 2.633 2.206 3.216 . 0 0 "[ . 1 . 2]" 1 819 1 90 TYR H 1 90 TYR QD . . 4.500 3.412 2.301 4.499 . 0 0 "[ . 1 . 2]" 1 820 1 90 TYR H 1 91 SER H . . 4.500 2.406 1.791 3.236 . 0 0 "[ . 1 . 2]" 1 821 1 90 TYR HA 1 90 TYR QB . . 2.800 2.337 2.165 2.428 . 0 0 "[ . 1 . 2]" 1 822 1 90 TYR HA 1 90 TYR QD . . 4.500 2.967 2.478 3.783 . 0 0 "[ . 1 . 2]" 1 823 1 90 TYR HA 1 91 SER H . . 3.500 3.253 2.638 3.580 0.080 18 0 "[ . 1 . 2]" 1 824 1 90 TYR QB 1 90 TYR QD . . 2.800 2.175 2.160 2.186 . 0 0 "[ . 1 . 2]" 1 825 1 90 TYR QB 1 91 SER H . . 4.500 3.453 2.295 4.046 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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