REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2bvj_1_A DATA FIRST_RESID 14 DATA SEQUENCE VLDLGALGQD FAADPYPTYA RLRAEGPAHR VRTPEGDEVW LVVGYDRARA DATA SEQUENCE VLADPRFSKD WRNSTTPLTE AEAALNHNML ESDPPRHTRL RKLVAREFTM DATA SEQUENCE RRVELLRPRV QEIVDGLVDA MLAAPDGRAD LMESLAWPLP ITVISELLGV DATA SEQUENCE PEPDRAAFRV WTDAFVFPDD PAQAQTAMAE MSGYLSRLID SKRGQDGEDL DATA SEQUENCE LSALVRTSDE DGSRLTSEEL LGMAHILLVA GHETTVNLIA NGMYALLSHP DATA SEQUENCE DQLAALRADM TLLDGAVEEM LRYEGPVESA TYRFPVEPVD LDGTVIPAGD DATA SEQUENCE TVLVVLADAH RTPERFPDPH RFDIRRDTAG HLAFGHGIHF CIGAPLARLE DATA SEQUENCE ARIAVRALLE RCPDLALDVS PGELVWYPNP MIRGLKALPI RWRRG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 V HA 0.000 nan 4.120 nan 0.000 0.244 14 V C 0.000 176.032 176.094 -0.103 0.000 1.182 14 V CA 0.000 62.230 62.300 -0.116 0.000 1.235 14 V CB 0.000 31.746 31.823 -0.129 0.000 1.184 15 L N 4.122 125.278 121.223 -0.113 0.000 2.313 15 L HA 0.529 4.870 4.340 0.001 0.000 0.282 15 L C 0.243 177.028 176.870 -0.142 0.000 1.092 15 L CA 0.689 55.454 54.840 -0.124 0.000 0.831 15 L CB 0.879 42.856 42.059 -0.137 0.000 1.159 15 L HN 0.777 nan 8.230 nan 0.000 0.442 16 D N 5.215 125.533 120.400 -0.136 0.000 2.411 16 D HA 0.085 4.726 4.640 0.001 0.000 0.225 16 D C 1.071 177.255 176.300 -0.194 0.000 1.156 16 D CA -0.124 53.796 54.000 -0.134 0.000 0.874 16 D CB 0.742 41.485 40.800 -0.094 0.000 1.034 16 D HN 0.711 nan 8.370 nan 0.000 0.502 17 L N 2.975 124.041 121.223 -0.262 0.000 2.201 17 L HA -0.033 4.308 4.340 0.001 0.000 0.212 17 L C 2.497 179.207 176.870 -0.267 0.000 1.105 17 L CA 1.028 55.590 54.840 -0.464 0.000 0.775 17 L CB -0.149 41.556 42.059 -0.590 0.000 0.913 17 L HN 0.444 nan 8.230 nan 0.000 0.440 18 G N -0.225 108.501 108.800 -0.124 0.000 2.448 18 G HA2 -0.199 3.762 3.960 0.001 0.000 0.219 18 G HA3 -0.199 3.762 3.960 0.001 0.000 0.219 18 G C 1.728 176.605 174.900 -0.038 0.000 1.127 18 G CA 0.702 45.778 45.100 -0.039 0.000 0.766 18 G HN 0.460 nan 8.290 nan 0.000 0.552 19 A N 0.354 123.131 122.820 -0.071 0.000 2.119 19 A HA 0.242 4.562 4.320 0.001 0.000 0.217 19 A C 2.177 179.732 177.584 -0.049 0.000 1.153 19 A CA 0.604 52.609 52.037 -0.054 0.000 0.692 19 A CB -0.200 18.762 19.000 -0.065 0.000 0.799 19 A HN 0.368 nan 8.150 nan 0.000 0.458 20 L N -0.995 120.184 121.223 -0.073 0.000 2.554 20 L HA 0.196 4.537 4.340 0.001 0.000 0.226 20 L C 1.666 178.563 176.870 0.044 0.000 1.137 20 L CA 0.165 54.986 54.840 -0.032 0.000 0.863 20 L CB -1.151 40.857 42.059 -0.085 0.000 0.985 20 L HN 0.559 nan 8.230 nan 0.000 0.451 21 G N 0.856 109.684 108.800 0.047 0.000 2.591 21 G HA2 -0.466 3.494 3.960 0.001 0.000 0.278 21 G HA3 -0.466 3.494 3.960 0.001 0.000 0.278 21 G C 0.524 175.489 174.900 0.107 0.000 1.293 21 G CA 0.745 45.886 45.100 0.069 0.000 0.930 21 G HN 0.314 nan 8.290 nan 0.000 0.562 22 Q N -0.210 119.637 119.800 0.078 0.000 2.364 22 Q HA -0.036 4.304 4.340 0.001 0.000 0.209 22 Q C 2.039 178.064 176.000 0.042 0.000 0.977 22 Q CA 2.518 58.364 55.803 0.072 0.000 0.885 22 Q CB -0.292 28.483 28.738 0.062 0.000 0.941 22 Q HN 0.626 nan 8.270 nan 0.000 0.464 23 D N -0.824 119.601 120.400 0.042 0.000 2.144 23 D HA -0.147 4.494 4.640 0.001 0.000 0.200 23 D C 1.379 177.671 176.300 -0.013 0.000 0.978 23 D CA 0.915 54.921 54.000 0.009 0.000 0.833 23 D CB -0.184 40.627 40.800 0.018 0.000 0.961 23 D HN 0.348 nan 8.370 nan 0.000 0.470 24 F N 1.931 121.815 119.950 -0.111 0.000 2.128 24 F HA 0.023 4.551 4.527 0.001 0.000 0.295 24 F C 2.262 177.941 175.800 -0.200 0.000 1.100 24 F CA 1.217 59.114 58.000 -0.172 0.000 1.260 24 F CB -0.374 38.537 39.000 -0.148 0.000 1.009 24 F HN -0.104 nan 8.300 nan 0.000 0.476 25 A N 0.714 123.386 122.820 -0.246 0.000 1.908 25 A HA -0.092 4.229 4.320 0.001 0.000 0.218 25 A C 2.419 179.761 177.584 -0.404 0.000 1.181 25 A CA 2.031 53.890 52.037 -0.297 0.000 0.627 25 A CB -1.620 17.392 19.000 0.020 0.000 0.818 25 A HN 0.529 nan 8.150 nan 0.000 0.445 26 A N -1.328 121.297 122.820 -0.325 0.000 1.930 26 A HA 0.044 4.365 4.320 0.001 0.000 0.217 26 A C 0.997 178.152 177.584 -0.715 0.000 1.175 26 A CA 1.779 53.473 52.037 -0.572 0.000 0.627 26 A CB -0.135 18.758 19.000 -0.178 0.000 0.815 26 A HN 0.448 nan 8.150 nan 0.000 0.443 27 D N -2.372 117.728 120.400 -0.500 0.000 2.472 27 D HA 0.233 4.873 4.640 0.001 0.000 0.248 27 D C -2.171 173.844 176.300 -0.474 0.000 1.271 27 D CA -1.205 52.553 54.000 -0.404 0.000 0.888 27 D CB 1.239 41.912 40.800 -0.212 0.000 1.337 27 D HN 0.056 nan 8.370 nan 0.000 0.526 28 P HA -0.084 nan 4.420 nan 0.000 0.231 28 P C 1.081 177.883 177.300 -0.831 0.000 1.168 28 P CA 0.380 62.788 63.100 -1.153 0.000 0.779 28 P CB 0.205 30.845 31.700 -1.766 0.000 0.844 29 Y N 1.294 121.384 120.300 -0.350 0.000 2.139 29 Y HA -0.162 4.389 4.550 0.002 0.000 0.282 29 Y C -0.109 175.769 175.900 -0.037 0.000 1.179 29 Y CA 1.858 59.904 58.100 -0.091 0.000 1.161 29 Y CB -2.699 35.742 38.460 -0.031 0.000 0.970 29 Y HN 0.177 nan 8.280 nan 0.000 0.511 30 P HA -0.146 nan 4.420 nan 0.000 0.215 30 P C 1.572 178.892 177.300 0.033 0.000 1.157 30 P CA 2.381 65.504 63.100 0.038 0.000 0.868 30 P CB -0.117 31.576 31.700 -0.012 0.000 0.788 31 T N -1.422 113.117 114.554 -0.026 0.000 2.652 31 T HA -0.211 4.139 4.350 0.001 0.000 0.267 31 T C 1.643 176.384 174.700 0.069 0.000 1.039 31 T CA 1.491 63.580 62.100 -0.017 0.000 1.153 31 T CB -1.306 67.552 68.868 -0.016 0.000 0.863 31 T HN 0.202 nan 8.240 nan 0.000 0.428 32 Y N 1.150 121.511 120.300 0.102 0.000 2.207 32 Y HA -0.135 4.416 4.550 0.002 0.000 0.287 32 Y C 2.877 178.825 175.900 0.080 0.000 1.156 32 Y CA 0.306 58.455 58.100 0.082 0.000 1.182 32 Y CB -0.321 38.187 38.460 0.080 0.000 0.979 32 Y HN 0.228 nan 8.280 nan 0.000 0.521 33 A N 0.919 123.891 122.820 0.254 0.000 1.898 33 A HA -0.197 4.124 4.320 0.001 0.000 0.216 33 A C 2.370 180.027 177.584 0.121 0.000 1.181 33 A CA 2.011 54.163 52.037 0.191 0.000 0.620 33 A CB -1.164 17.954 19.000 0.196 0.000 0.819 33 A HN 0.428 nan 8.150 nan 0.000 0.442 34 R N 0.020 120.568 120.500 0.079 0.000 2.091 34 R HA 0.013 4.354 4.340 0.001 0.000 0.238 34 R C 2.121 178.416 176.300 -0.008 0.000 1.136 34 R CA 1.750 57.868 56.100 0.031 0.000 0.959 34 R CB -1.579 28.721 30.300 0.001 0.000 0.856 34 R HN 0.588 nan 8.270 nan 0.000 0.437 35 L N -0.389 120.801 121.223 -0.055 0.000 2.056 35 L HA -0.081 4.260 4.340 0.001 0.000 0.207 35 L C 3.032 179.930 176.870 0.048 0.000 1.078 35 L CA 1.613 56.295 54.840 -0.263 0.000 0.749 35 L CB -0.419 41.406 42.059 -0.389 0.000 0.901 35 L HN 0.383 nan 8.230 nan 0.000 0.433 36 R N 0.384 120.968 120.500 0.140 0.000 2.127 36 R HA -0.187 4.154 4.340 0.001 0.000 0.238 36 R C 2.258 178.651 176.300 0.155 0.000 1.134 36 R CA 1.411 57.622 56.100 0.185 0.000 0.975 36 R CB -0.186 30.206 30.300 0.155 0.000 0.865 36 R HN 0.372 nan 8.270 nan 0.000 0.447 37 A N 0.931 123.820 122.820 0.116 0.000 1.969 37 A HA -0.161 4.160 4.320 0.001 0.000 0.218 37 A C 1.727 179.372 177.584 0.102 0.000 1.169 37 A CA 1.455 53.548 52.037 0.094 0.000 0.635 37 A CB -0.184 18.860 19.000 0.072 0.000 0.810 37 A HN 0.517 nan 8.150 nan 0.000 0.445 38 E N -1.243 119.033 120.200 0.127 0.000 2.140 38 E HA 0.341 4.692 4.350 0.001 0.000 0.191 38 E C 0.969 177.695 176.600 0.210 0.000 0.973 38 E CA 0.378 56.871 56.400 0.155 0.000 0.829 38 E CB 0.102 29.891 29.700 0.148 0.000 0.781 38 E HN 0.526 nan 8.360 nan 0.000 0.466 39 G N 0.486 109.468 108.800 0.303 0.000 2.451 39 G HA2 0.151 4.112 3.960 0.001 0.000 0.292 39 G HA3 0.151 4.112 3.960 0.001 0.000 0.292 39 G C -2.639 172.330 174.900 0.115 0.000 1.427 39 G CA -0.823 44.366 45.100 0.149 0.000 0.792 39 G HN -0.266 nan 8.290 nan 0.000 0.498 40 P HA 0.260 nan 4.420 nan 0.000 0.230 40 P C 0.514 177.751 177.300 -0.106 0.000 1.168 40 P CA 1.051 64.136 63.100 -0.026 0.000 0.793 40 P CB 0.830 32.512 31.700 -0.030 0.000 0.851 41 A N 0.296 122.934 122.820 -0.303 0.000 2.393 41 A HA 0.701 5.022 4.320 0.001 0.000 0.306 41 A C -0.958 176.388 177.584 -0.398 0.000 1.050 41 A CA -0.511 51.425 52.037 -0.169 0.000 0.724 41 A CB 1.083 20.070 19.000 -0.023 0.000 1.248 41 A HN 0.078 nan 8.150 nan 0.000 0.424 42 H N 1.251 120.514 119.070 0.323 0.000 2.865 42 H HA 0.328 4.885 4.556 0.002 0.000 0.362 42 H C -0.770 174.495 175.328 -0.105 0.000 1.114 42 H CA -0.660 55.468 56.048 0.134 0.000 1.208 42 H CB 1.625 31.422 29.762 0.060 0.000 1.727 42 H HN 0.716 nan 8.280 nan 0.000 0.534 43 R N 1.567 121.849 120.500 -0.364 0.000 2.298 43 R HA 0.385 4.725 4.340 0.001 0.000 0.310 43 R C 0.125 176.245 176.300 -0.299 0.000 1.068 43 R CA -0.434 55.253 56.100 -0.687 0.000 0.957 43 R CB 0.899 30.714 30.300 -0.808 0.000 1.003 43 R HN 0.413 nan 8.270 nan 0.000 0.454 44 V N 0.176 119.940 119.914 -0.249 0.000 3.160 44 V HA 0.698 4.819 4.120 0.001 0.000 0.310 44 V C -1.099 174.912 176.094 -0.139 0.000 1.181 44 V CA -1.278 60.932 62.300 -0.151 0.000 1.047 44 V CB 2.216 33.989 31.823 -0.083 0.000 1.068 44 V HN 0.638 nan 8.190 nan 0.000 0.441 45 R N 1.976 122.406 120.500 -0.115 0.000 2.360 45 R HA 0.633 4.973 4.340 0.001 0.000 0.318 45 R C 0.035 176.295 176.300 -0.066 0.000 0.950 45 R CA 0.470 56.519 56.100 -0.085 0.000 0.837 45 R CB 0.737 30.987 30.300 -0.083 0.000 1.165 45 R HN 1.268 nan 8.270 nan 0.000 0.458 46 T N 1.937 116.479 114.554 -0.019 0.000 2.860 46 T HA 0.273 4.624 4.350 0.001 0.000 0.299 46 T C -1.683 173.030 174.700 0.023 0.000 1.045 46 T CA -1.397 60.715 62.100 0.021 0.000 1.071 46 T CB 1.101 70.015 68.868 0.077 0.000 0.985 46 T HN 0.417 nan 8.240 nan 0.000 0.537 47 P HA -0.035 nan 4.420 nan 0.000 0.219 47 P C 0.965 178.300 177.300 0.058 0.000 1.146 47 P CA 0.849 63.982 63.100 0.054 0.000 0.808 47 P CB 0.025 31.786 31.700 0.103 0.000 0.779 48 E N -1.629 118.615 120.200 0.073 0.000 2.427 48 E HA 0.145 4.495 4.350 0.001 0.000 0.196 48 E C 1.538 178.173 176.600 0.058 0.000 1.028 48 E CA 0.905 57.348 56.400 0.073 0.000 0.864 48 E CB -0.789 28.967 29.700 0.094 0.000 0.813 48 E HN 0.188 nan 8.360 nan 0.000 0.514 49 G N 0.558 109.385 108.800 0.044 0.000 2.159 49 G HA2 -0.194 3.767 3.960 0.001 0.000 0.227 49 G HA3 -0.194 3.767 3.960 0.001 0.000 0.227 49 G C -0.626 174.294 174.900 0.033 0.000 0.986 49 G CA -0.079 45.038 45.100 0.029 0.000 0.651 49 G HN 0.207 nan 8.290 nan 0.000 0.523 50 D N 1.512 121.943 120.400 0.051 0.000 2.264 50 D HA 0.530 5.171 4.640 0.001 0.000 0.250 50 D C 0.548 176.852 176.300 0.006 0.000 1.113 50 D CA 0.727 54.760 54.000 0.057 0.000 0.871 50 D CB 1.204 42.074 40.800 0.117 0.000 1.167 50 D HN 0.683 nan 8.370 nan 0.000 0.447 51 E N 1.050 121.240 120.200 -0.017 0.000 2.130 51 E HA 0.527 4.878 4.350 0.001 0.000 0.284 51 E C 0.051 176.592 176.600 -0.098 0.000 1.018 51 E CA -0.767 55.587 56.400 -0.078 0.000 0.817 51 E CB 0.996 30.646 29.700 -0.083 0.000 1.078 51 E HN 0.424 nan 8.360 nan 0.000 0.396 52 V N -1.809 118.018 119.914 -0.144 0.000 3.103 52 V HA 0.882 5.003 4.120 0.001 0.000 0.311 52 V C -1.280 174.704 176.094 -0.185 0.000 1.322 52 V CA -1.509 60.718 62.300 -0.122 0.000 1.063 52 V CB 1.273 33.034 31.823 -0.102 0.000 1.090 52 V HN 0.738 nan 8.190 nan 0.000 0.462 53 W N 0.301 121.558 121.300 -0.071 0.000 2.570 53 W HA 0.847 5.507 4.660 0.001 0.000 0.337 53 W C -0.634 175.857 176.519 -0.046 0.000 1.067 53 W CA -0.545 56.777 57.345 -0.039 0.000 1.229 53 W CB 1.647 31.087 29.460 -0.032 0.000 1.355 53 W HN 0.521 nan 8.180 nan 0.000 0.555 54 L N 3.278 124.645 121.223 0.240 0.000 2.341 54 L HA 0.602 4.943 4.340 0.001 0.000 0.278 54 L C -0.648 176.298 176.870 0.127 0.000 1.005 54 L CA -1.231 53.685 54.840 0.126 0.000 0.818 54 L CB 1.390 43.517 42.059 0.114 0.000 1.259 54 L HN 0.025 nan 8.230 nan 0.000 0.418 55 V N 4.168 124.091 119.914 0.014 0.000 2.384 55 V HA 0.469 4.590 4.120 0.001 0.000 0.287 55 V C 0.023 176.087 176.094 -0.049 0.000 1.020 55 V CA -0.562 61.719 62.300 -0.032 0.000 0.850 55 V CB 2.056 33.797 31.823 -0.136 0.000 0.987 55 V HN 0.537 nan 8.190 nan 0.000 0.436 56 V N 1.768 121.688 119.914 0.010 0.000 3.046 56 V HA 1.116 5.236 4.120 0.001 0.000 0.316 56 V C 0.112 176.225 176.094 0.031 0.000 1.104 56 V CA -0.404 61.905 62.300 0.014 0.000 1.006 56 V CB 1.368 33.245 31.823 0.091 0.000 1.058 56 V HN 1.657 nan 8.190 nan 0.000 0.440 57 G N 0.502 109.334 108.800 0.052 0.000 3.367 57 G HA2 -0.158 3.803 3.960 0.001 0.000 0.686 57 G HA3 -0.158 3.803 3.960 0.001 0.000 0.686 57 G C -0.664 174.287 174.900 0.084 0.000 1.146 57 G CA 0.123 45.276 45.100 0.087 0.000 0.913 57 G HN 1.807 nan 8.290 nan 0.000 0.554 58 Y N 1.562 121.891 120.300 0.048 0.000 2.040 58 Y HA -0.238 4.313 4.550 0.002 0.000 0.275 58 Y C 2.448 178.352 175.900 0.006 0.000 1.171 58 Y CA 2.811 60.945 58.100 0.057 0.000 1.123 58 Y CB 0.065 38.591 38.460 0.111 0.000 0.963 58 Y HN 0.644 nan 8.280 nan 0.000 0.493 59 D N -0.327 120.153 120.400 0.134 0.000 2.104 59 D HA -0.213 4.428 4.640 0.001 0.000 0.194 59 D C 2.237 178.480 176.300 -0.095 0.000 0.994 59 D CA 1.739 55.748 54.000 0.015 0.000 0.830 59 D CB -0.401 40.449 40.800 0.083 0.000 0.959 59 D HN 0.229 nan 8.370 nan 0.000 0.452 60 R N 1.223 121.685 120.500 -0.064 0.000 2.073 60 R HA -0.046 4.295 4.340 0.001 0.000 0.234 60 R C 2.141 178.343 176.300 -0.164 0.000 1.134 60 R CA 1.747 57.790 56.100 -0.096 0.000 0.952 60 R CB -0.879 29.381 30.300 -0.066 0.000 0.850 60 R HN 0.094 nan 8.270 nan 0.000 0.433 61 A N 0.684 123.397 122.820 -0.178 0.000 1.873 61 A HA -0.265 4.055 4.320 0.001 0.000 0.218 61 A C 2.282 179.721 177.584 -0.242 0.000 1.193 61 A CA 2.010 53.917 52.037 -0.217 0.000 0.629 61 A CB -0.757 18.116 19.000 -0.211 0.000 0.826 61 A HN 0.442 nan 8.150 nan 0.000 0.447 62 R N -0.578 119.716 120.500 -0.342 0.000 2.091 62 R HA -0.143 4.198 4.340 0.001 0.000 0.238 62 R C 2.333 178.563 176.300 -0.116 0.000 1.136 62 R CA 1.667 57.558 56.100 -0.348 0.000 0.959 62 R CB -0.452 29.476 30.300 -0.619 0.000 0.856 62 R HN 0.480 nan 8.270 nan 0.000 0.437 63 A N 0.047 122.792 122.820 -0.125 0.000 1.877 63 A HA -0.114 4.207 4.320 0.001 0.000 0.216 63 A C 2.279 179.811 177.584 -0.086 0.000 1.186 63 A CA 1.700 53.703 52.037 -0.058 0.000 0.620 63 A CB -0.660 18.302 19.000 -0.063 0.000 0.822 63 A HN 0.228 nan 8.150 nan 0.000 0.443 64 V N 0.319 120.105 119.914 -0.214 0.000 2.332 64 V HA -0.279 3.841 4.120 0.001 0.000 0.248 64 V C 2.554 178.485 176.094 -0.273 0.000 1.055 64 V CA 1.955 64.001 62.300 -0.424 0.000 1.038 64 V CB -0.894 30.501 31.823 -0.714 0.000 0.651 64 V HN 0.571 nan 8.190 nan 0.000 0.450 65 L N 0.106 121.239 121.223 -0.150 0.000 2.129 65 L HA -0.202 4.138 4.340 0.001 0.000 0.212 65 L C 2.237 179.113 176.870 0.010 0.000 1.087 65 L CA 1.757 56.572 54.840 -0.041 0.000 0.757 65 L CB -0.526 41.568 42.059 0.059 0.000 0.896 65 L HN 0.415 nan 8.230 nan 0.000 0.434 66 A N -2.182 120.655 122.820 0.028 0.000 2.390 66 A HA 0.030 4.351 4.320 0.001 0.000 0.232 66 A C 0.403 177.996 177.584 0.015 0.000 1.233 66 A CA -0.284 51.745 52.037 -0.012 0.000 0.907 66 A CB -0.071 18.893 19.000 -0.060 0.000 0.967 66 A HN 0.177 nan 8.150 nan 0.000 0.512 67 D N 0.775 121.198 120.400 0.039 0.000 2.338 67 D HA 0.246 4.887 4.640 0.001 0.000 0.255 67 D C -1.796 174.592 176.300 0.147 0.000 1.237 67 D CA -1.882 52.180 54.000 0.105 0.000 0.883 67 D CB 1.332 42.236 40.800 0.172 0.000 1.087 67 D HN 0.004 nan 8.370 nan 0.000 0.485 68 P HA -0.066 nan 4.420 nan 0.000 0.221 68 P C 0.998 178.333 177.300 0.059 0.000 1.145 68 P CA 0.816 63.954 63.100 0.064 0.000 0.795 68 P CB 0.237 31.956 31.700 0.031 0.000 0.775 69 R N -1.788 118.749 120.500 0.063 0.000 2.237 69 R HA -0.007 4.334 4.340 0.001 0.000 0.219 69 R C 0.096 176.259 176.300 -0.227 0.000 1.080 69 R CA 0.601 56.651 56.100 -0.083 0.000 0.995 69 R CB -0.389 29.831 30.300 -0.134 0.000 0.875 69 R HN 0.232 nan 8.270 nan 0.000 0.462 70 F N 0.602 120.520 119.950 -0.054 0.000 2.293 70 F HA 0.214 4.742 4.527 0.002 0.000 0.370 70 F C 0.543 176.306 175.800 -0.062 0.000 1.090 70 F CA -0.600 57.353 58.000 -0.078 0.000 1.133 70 F CB 1.203 40.136 39.000 -0.111 0.000 1.360 70 F HN -0.185 nan 8.300 nan 0.000 0.489 71 S N 2.290 118.030 115.700 0.067 0.000 2.614 71 S HA 0.316 4.787 4.470 0.001 0.000 0.265 71 S C 0.918 175.545 174.600 0.044 0.000 1.303 71 S CA -0.423 57.828 58.200 0.086 0.000 1.000 71 S CB 0.855 64.120 63.200 0.108 0.000 0.935 71 S HN 0.715 nan 8.310 nan 0.000 0.551 72 K N 0.751 121.194 120.400 0.071 0.000 2.402 72 K HA 0.166 4.487 4.320 0.001 0.000 0.204 72 K C -0.533 176.199 176.600 0.220 0.000 1.056 72 K CA -0.247 56.039 56.287 -0.002 0.000 1.069 72 K CB 0.356 32.783 32.500 -0.121 0.000 0.888 72 K HN 0.567 nan 8.250 nan 0.000 0.546 73 D N -0.213 120.345 120.400 0.262 0.000 2.295 73 D HA -0.001 4.640 4.640 0.001 0.000 0.248 73 D C 0.268 176.724 176.300 0.260 0.000 1.154 73 D CA -0.378 53.790 54.000 0.280 0.000 0.857 73 D CB 0.548 41.464 40.800 0.194 0.000 1.117 73 D HN 0.036 nan 8.370 nan 0.000 0.468 74 W N 3.384 124.744 121.300 0.100 0.000 2.538 74 W HA -0.018 4.643 4.660 0.001 0.000 0.254 74 W C 2.165 178.579 176.519 -0.174 0.000 1.249 74 W CA 0.019 57.285 57.345 -0.132 0.000 1.253 74 W CB -0.161 29.235 29.460 -0.107 0.000 1.130 74 W HN 0.417 nan 8.180 nan 0.000 0.618 75 R N 0.034 120.600 120.500 0.110 0.000 2.237 75 R HA -0.084 4.256 4.340 0.001 0.000 0.219 75 R C 1.017 177.304 176.300 -0.022 0.000 1.080 75 R CA 0.890 57.019 56.100 0.048 0.000 0.995 75 R CB -0.290 30.049 30.300 0.065 0.000 0.875 75 R HN 0.173 nan 8.270 nan 0.000 0.462 76 N N -0.152 118.511 118.700 -0.061 0.000 2.230 76 N HA -0.002 4.739 4.740 0.001 0.000 0.202 76 N C -0.332 175.024 175.510 -0.257 0.000 1.119 76 N CA 0.186 53.182 53.050 -0.089 0.000 0.851 76 N CB 1.055 39.547 38.487 0.007 0.000 0.990 76 N HN -0.055 nan 8.380 nan 0.000 0.497 77 S N 0.005 115.393 115.700 -0.520 0.000 2.509 77 S HA 0.270 4.741 4.470 0.001 0.000 0.297 77 S C 1.202 175.594 174.600 -0.347 0.000 1.118 77 S CA -0.560 57.141 58.200 -0.833 0.000 1.074 77 S CB 1.046 63.118 63.200 -1.881 0.000 1.038 77 S HN 0.289 nan 8.310 nan 0.000 0.498 78 T N 0.736 115.153 114.554 -0.229 0.000 3.129 78 T HA 0.174 4.525 4.350 0.001 0.000 0.251 78 T C 0.452 175.130 174.700 -0.036 0.000 1.117 78 T CA -0.039 62.007 62.100 -0.090 0.000 1.034 78 T CB -0.397 68.443 68.868 -0.047 0.000 0.968 78 T HN 0.497 nan 8.240 nan 0.000 0.526 79 T N 4.593 119.122 114.554 -0.041 0.000 2.743 79 T HA 0.450 4.801 4.350 0.001 0.000 0.293 79 T C -2.593 172.232 174.700 0.210 0.000 0.945 79 T CA -1.122 61.042 62.100 0.107 0.000 1.030 79 T CB 1.225 70.211 68.868 0.197 0.000 0.912 79 T HN 0.139 nan 8.240 nan 0.000 0.483 80 P HA 0.245 nan 4.420 nan 0.000 0.271 80 P C -0.622 176.706 177.300 0.046 0.000 1.216 80 P CA -0.414 62.736 63.100 0.083 0.000 0.776 80 P CB 0.522 32.245 31.700 0.038 0.000 0.881 81 L N 2.322 123.505 121.223 -0.067 0.000 2.292 81 L HA 0.333 4.674 4.340 0.001 0.000 0.284 81 L C 1.303 178.072 176.870 -0.167 0.000 1.065 81 L CA -0.503 54.190 54.840 -0.246 0.000 0.806 81 L CB 1.069 42.888 42.059 -0.400 0.000 1.175 81 L HN 0.452 nan 8.230 nan 0.000 0.431 82 T N -1.053 113.399 114.554 -0.171 0.000 2.726 82 T HA 0.201 4.552 4.350 0.001 0.000 0.294 82 T C 1.301 175.919 174.700 -0.136 0.000 1.013 82 T CA 0.151 62.179 62.100 -0.120 0.000 0.996 82 T CB 1.011 69.817 68.868 -0.104 0.000 1.016 82 T HN 0.714 nan 8.240 nan 0.000 0.529 83 E N 0.411 120.551 120.200 -0.100 0.000 2.051 83 E HA -0.001 4.350 4.350 0.001 0.000 0.192 83 E C 2.517 179.045 176.600 -0.120 0.000 0.991 83 E CA 1.897 58.241 56.400 -0.094 0.000 0.799 83 E CB -1.352 28.309 29.700 -0.065 0.000 0.748 83 E HN 0.966 nan 8.360 nan 0.000 0.449 84 A N 0.919 123.663 122.820 -0.127 0.000 1.898 84 A HA -0.178 4.142 4.320 0.001 0.000 0.216 84 A C 2.214 179.666 177.584 -0.220 0.000 1.181 84 A CA 1.792 53.737 52.037 -0.152 0.000 0.620 84 A CB -0.314 18.608 19.000 -0.131 0.000 0.819 84 A HN 0.588 nan 8.150 nan 0.000 0.442 85 E N -0.086 119.961 120.200 -0.254 0.000 2.072 85 E HA -0.077 4.274 4.350 0.001 0.000 0.191 85 E C 2.275 178.649 176.600 -0.376 0.000 0.985 85 E CA 0.912 57.099 56.400 -0.354 0.000 0.801 85 E CB -0.325 29.133 29.700 -0.404 0.000 0.750 85 E HN 0.602 nan 8.360 nan 0.000 0.452 86 A N 1.578 124.210 122.820 -0.312 0.000 1.978 86 A HA -0.138 4.183 4.320 0.001 0.000 0.220 86 A C 2.392 179.858 177.584 -0.196 0.000 1.170 86 A CA 1.642 53.512 52.037 -0.278 0.000 0.636 86 A CB -0.620 18.271 19.000 -0.181 0.000 0.810 86 A HN 0.293 nan 8.150 nan 0.000 0.448 87 A N -0.653 122.073 122.820 -0.158 0.000 2.015 87 A HA 0.101 4.422 4.320 0.001 0.000 0.219 87 A C 1.833 179.354 177.584 -0.105 0.000 1.163 87 A CA 1.371 53.353 52.037 -0.092 0.000 0.646 87 A CB -0.382 18.557 19.000 -0.102 0.000 0.806 87 A HN 0.495 nan 8.150 nan 0.000 0.448 88 L N -0.841 120.243 121.223 -0.232 0.000 2.693 88 L HA 0.160 4.501 4.340 0.001 0.000 0.235 88 L C 1.810 178.540 176.870 -0.234 0.000 1.127 88 L CA 0.011 54.675 54.840 -0.293 0.000 0.914 88 L CB -0.245 41.418 42.059 -0.659 0.000 1.193 88 L HN 0.409 nan 8.230 nan 0.000 0.502 89 N N 0.303 118.824 118.700 -0.298 0.000 2.512 89 N HA -0.120 4.621 4.740 0.001 0.000 0.183 89 N C 0.394 175.730 175.510 -0.291 0.000 1.073 89 N CA 0.466 53.304 53.050 -0.354 0.000 0.911 89 N CB 0.227 38.385 38.487 -0.549 0.000 0.964 89 N HN 0.437 nan 8.380 nan 0.000 0.447 90 H N 0.905 119.970 119.070 -0.008 0.000 2.799 90 H HA 0.109 4.666 4.556 0.001 0.000 0.225 90 H C -0.455 174.916 175.328 0.071 0.000 1.904 90 H CA -0.112 55.960 56.048 0.040 0.000 1.344 90 H CB -0.598 29.177 29.762 0.022 0.000 1.744 90 H HN 0.444 nan 8.280 nan 0.000 0.542 91 N N -0.456 118.335 118.700 0.152 0.000 2.509 91 N HA 0.127 4.868 4.740 0.001 0.000 0.280 91 N C 1.287 176.907 175.510 0.183 0.000 1.306 91 N CA -0.929 52.217 53.050 0.160 0.000 0.782 91 N CB 1.048 39.631 38.487 0.161 0.000 1.493 91 N HN 0.110 nan 8.380 nan 0.000 0.498 92 M N -0.764 118.944 119.600 0.180 0.000 2.149 92 M HA -0.056 4.425 4.480 0.001 0.000 0.261 92 M C 1.172 177.726 176.300 0.422 0.000 1.064 92 M CA 1.499 56.956 55.300 0.262 0.000 1.102 92 M CB -0.447 32.246 32.600 0.156 0.000 1.369 92 M HN 0.506 nan 8.290 nan 0.000 0.408 93 L N 1.433 122.819 121.223 0.272 0.000 2.083 93 L HA -0.032 4.309 4.340 0.001 0.000 0.209 93 L C 1.077 177.966 176.870 0.032 0.000 1.083 93 L CA 1.835 56.763 54.840 0.146 0.000 0.752 93 L CB -0.623 41.476 42.059 0.067 0.000 0.899 93 L HN 0.423 nan 8.230 nan 0.000 0.433 94 E N -0.130 120.162 120.200 0.153 0.000 2.354 94 E HA 0.217 4.568 4.350 0.001 0.000 0.252 94 E C -0.256 176.497 176.600 0.254 0.000 1.330 94 E CA 0.031 56.561 56.400 0.217 0.000 1.658 94 E CB -0.077 29.810 29.700 0.312 0.000 1.460 94 E HN 0.484 nan 8.360 nan 0.000 0.435 95 S N -0.530 115.329 115.700 0.264 0.000 2.570 95 S HA 0.465 4.936 4.470 0.001 0.000 0.270 95 S C -1.173 173.616 174.600 0.315 0.000 1.149 95 S CA -1.157 57.214 58.200 0.285 0.000 0.837 95 S CB 2.314 65.685 63.200 0.285 0.000 1.124 95 S HN -0.085 nan 8.310 nan 0.000 0.465 96 D N 1.212 121.754 120.400 0.237 0.000 2.414 96 D HA 0.648 5.289 4.640 0.001 0.000 0.241 96 D C -2.652 173.752 176.300 0.173 0.000 1.008 96 D CA -1.413 52.692 54.000 0.175 0.000 1.001 96 D CB 1.246 42.123 40.800 0.127 0.000 1.277 96 D HN 0.385 nan 8.370 nan 0.000 0.538 97 P HA 0.142 nan 4.420 nan 0.000 0.272 97 P C -1.773 175.583 177.300 0.094 0.000 1.240 97 P CA -0.840 62.335 63.100 0.126 0.000 0.791 97 P CB 0.293 32.048 31.700 0.091 0.000 0.978 98 P HA 0.044 nan 4.420 nan 0.000 0.236 98 P C 1.550 178.899 177.300 0.082 0.000 1.177 98 P CA 0.599 63.743 63.100 0.073 0.000 0.773 98 P CB 0.290 32.020 31.700 0.051 0.000 0.878 99 R N 0.157 120.721 120.500 0.106 0.000 2.070 99 R HA -0.190 4.150 4.340 0.001 0.000 0.233 99 R C 2.625 178.994 176.300 0.114 0.000 1.137 99 R CA 1.384 57.550 56.100 0.110 0.000 0.945 99 R CB -0.987 29.396 30.300 0.138 0.000 0.845 99 R HN 0.220 nan 8.270 nan 0.000 0.430 100 H N 0.029 119.147 119.070 0.081 0.000 2.353 100 H HA -0.111 4.446 4.556 0.001 0.000 0.298 100 H C 1.341 176.690 175.328 0.035 0.000 1.103 100 H CA 2.238 58.330 56.048 0.074 0.000 1.293 100 H CB -0.099 29.697 29.762 0.056 0.000 1.372 100 H HN 0.254 nan 8.280 nan 0.000 0.501 101 T N 0.937 115.472 114.554 -0.032 0.000 2.720 101 T HA -0.171 4.179 4.350 0.001 0.000 0.268 101 T C 2.168 176.810 174.700 -0.097 0.000 1.037 101 T CA 1.693 63.747 62.100 -0.076 0.000 1.144 101 T CB -0.202 68.682 68.868 0.026 0.000 0.864 101 T HN 0.396 nan 8.240 nan 0.000 0.444 102 R N 0.670 121.144 120.500 -0.043 0.000 2.062 102 R HA 0.063 4.404 4.340 0.001 0.000 0.229 102 R C 2.420 178.698 176.300 -0.037 0.000 1.128 102 R CA 0.955 57.040 56.100 -0.025 0.000 0.960 102 R CB -0.412 29.891 30.300 0.005 0.000 0.855 102 R HN 0.342 nan 8.270 nan 0.000 0.432 103 L N 0.287 121.484 121.223 -0.045 0.000 2.046 103 L HA -0.168 4.173 4.340 0.001 0.000 0.208 103 L C 2.898 179.734 176.870 -0.057 0.000 1.077 103 L CA 1.737 56.562 54.840 -0.026 0.000 0.747 103 L CB -0.472 41.593 42.059 0.010 0.000 0.896 103 L HN 0.272 nan 8.230 nan 0.000 0.432 104 R N 0.868 121.267 120.500 -0.167 0.000 2.075 104 R HA -0.158 4.183 4.340 0.001 0.000 0.232 104 R C 2.627 178.895 176.300 -0.054 0.000 1.126 104 R CA 1.845 57.858 56.100 -0.144 0.000 0.963 104 R CB -0.239 29.872 30.300 -0.315 0.000 0.858 104 R HN 0.180 nan 8.270 nan 0.000 0.435 105 K N 0.664 121.027 120.400 -0.062 0.000 2.211 105 K HA -0.109 4.212 4.320 0.001 0.000 0.204 105 K C 1.887 178.493 176.600 0.010 0.000 1.047 105 K CA 1.558 57.834 56.287 -0.017 0.000 0.935 105 K CB -0.936 31.552 32.500 -0.021 0.000 0.728 105 K HN 0.200 nan 8.250 nan 0.000 0.452 106 L N 0.458 121.687 121.223 0.011 0.000 2.127 106 L HA -0.076 4.264 4.340 0.001 0.000 0.211 106 L C 2.172 179.075 176.870 0.055 0.000 1.089 106 L CA 2.205 57.062 54.840 0.029 0.000 0.757 106 L CB 0.256 42.333 42.059 0.030 0.000 0.899 106 L HN 0.448 nan 8.230 nan 0.000 0.434 107 V N -5.788 114.179 119.914 0.087 0.000 3.398 107 V HA 0.476 4.597 4.120 0.001 0.000 0.298 107 V C 1.964 178.193 176.094 0.224 0.000 1.496 107 V CA 0.297 62.693 62.300 0.160 0.000 1.044 107 V CB -0.609 31.369 31.823 0.259 0.000 0.880 107 V HN 0.149 nan 8.190 nan 0.000 0.443 108 A N 1.583 124.489 122.820 0.144 0.000 1.917 108 A HA -0.200 4.121 4.320 0.001 0.000 0.219 108 A C 2.517 180.184 177.584 0.137 0.000 1.182 108 A CA 3.209 55.335 52.037 0.149 0.000 0.633 108 A CB -0.793 18.251 19.000 0.073 0.000 0.819 108 A HN 0.903 nan 8.150 nan 0.000 0.448 109 R N -0.086 120.457 120.500 0.072 0.000 2.152 109 R HA -0.093 4.248 4.340 0.001 0.000 0.232 109 R C 1.684 177.969 176.300 -0.025 0.000 1.117 109 R CA 1.736 57.851 56.100 0.024 0.000 0.981 109 R CB -1.031 29.272 30.300 0.004 0.000 0.870 109 R HN 0.708 nan 8.270 nan 0.000 0.451 110 E N -0.709 119.453 120.200 -0.063 0.000 2.285 110 E HA -0.007 4.344 4.350 0.001 0.000 0.194 110 E C 0.443 176.711 176.600 -0.553 0.000 0.997 110 E CA 0.766 56.971 56.400 -0.325 0.000 0.845 110 E CB 0.044 29.467 29.700 -0.462 0.000 0.782 110 E HN 0.724 nan 8.360 nan 0.000 0.491 111 F N 0.671 120.625 119.950 0.007 0.000 2.683 111 F HA 0.079 4.607 4.527 0.001 0.000 0.306 111 F C 1.052 176.855 175.800 0.005 0.000 1.102 111 F CA -0.421 57.583 58.000 0.007 0.000 1.244 111 F CB 0.222 39.230 39.000 0.013 0.000 1.029 111 F HN -0.233 nan 8.300 nan 0.000 0.545 112 T N -2.170 112.449 114.554 0.109 0.000 2.802 112 T HA -0.002 4.348 4.350 0.001 0.000 0.305 112 T C 1.500 176.230 174.700 0.050 0.000 1.053 112 T CA -0.554 61.590 62.100 0.073 0.000 1.058 112 T CB 1.066 69.956 68.868 0.037 0.000 0.988 112 T HN 0.324 nan 8.240 nan 0.000 0.539 113 M N 0.666 120.290 119.600 0.040 0.000 2.108 113 M HA -0.137 4.344 4.480 0.001 0.000 0.261 113 M C 2.569 178.878 176.300 0.016 0.000 1.066 113 M CA 1.602 56.920 55.300 0.030 0.000 1.107 113 M CB -0.257 32.357 32.600 0.024 0.000 1.356 113 M HN 0.685 nan 8.290 nan 0.000 0.406 114 R N -0.497 120.008 120.500 0.009 0.000 2.096 114 R HA -0.222 4.119 4.340 0.001 0.000 0.240 114 R C 2.323 178.617 176.300 -0.011 0.000 1.139 114 R CA 1.983 58.082 56.100 -0.001 0.000 0.952 114 R CB -0.528 29.770 30.300 -0.003 0.000 0.854 114 R HN 0.300 nan 8.270 nan 0.000 0.436 115 R N 0.819 121.307 120.500 -0.019 0.000 2.057 115 R HA -0.060 4.281 4.340 0.001 0.000 0.229 115 R C 2.079 178.351 176.300 -0.046 0.000 1.136 115 R CA 1.333 57.406 56.100 -0.045 0.000 0.952 115 R CB -0.783 29.471 30.300 -0.077 0.000 0.848 115 R HN 0.021 nan 8.270 nan 0.000 0.430 116 V N 1.267 121.163 119.914 -0.029 0.000 2.324 116 V HA -0.251 3.870 4.120 0.001 0.000 0.250 116 V C 2.242 178.333 176.094 -0.005 0.000 1.060 116 V CA 2.263 64.556 62.300 -0.011 0.000 1.042 116 V CB -0.645 31.198 31.823 0.034 0.000 0.650 116 V HN 0.423 nan 8.190 nan 0.000 0.450 117 E N 0.386 120.585 120.200 -0.000 0.000 2.160 117 E HA -0.211 4.139 4.350 0.001 0.000 0.195 117 E C 1.891 178.487 176.600 -0.006 0.000 0.991 117 E CA 1.378 57.779 56.400 0.002 0.000 0.810 117 E CB -0.439 29.264 29.700 0.004 0.000 0.742 117 E HN 0.627 nan 8.360 nan 0.000 0.466 118 L N -0.055 121.158 121.223 -0.016 0.000 2.456 118 L HA -0.079 4.262 4.340 0.001 0.000 0.224 118 L C 1.852 178.709 176.870 -0.022 0.000 1.148 118 L CA 0.429 55.257 54.840 -0.020 0.000 0.825 118 L CB -0.256 41.786 42.059 -0.028 0.000 0.937 118 L HN 0.208 nan 8.230 nan 0.000 0.450 119 L N -0.926 120.284 121.223 -0.022 0.000 2.558 119 L HA -0.008 4.333 4.340 0.001 0.000 0.225 119 L C 2.558 179.422 176.870 -0.011 0.000 1.128 119 L CA 0.127 54.954 54.840 -0.021 0.000 0.868 119 L CB -0.374 41.671 42.059 -0.023 0.000 1.006 119 L HN 0.228 nan 8.230 nan 0.000 0.454 120 R N 1.292 121.789 120.500 -0.005 0.000 2.096 120 R HA -0.196 4.145 4.340 0.001 0.000 0.240 120 R C -0.439 175.859 176.300 -0.004 0.000 1.139 120 R CA 2.008 58.108 56.100 -0.000 0.000 0.952 120 R CB -1.041 29.261 30.300 0.003 0.000 0.854 120 R HN 0.199 nan 8.270 nan 0.000 0.436 121 P HA -0.171 nan 4.420 nan 0.000 0.215 121 P C 0.747 178.041 177.300 -0.011 0.000 1.157 121 P CA 1.351 64.446 63.100 -0.008 0.000 0.868 121 P CB -0.072 31.622 31.700 -0.010 0.000 0.788 122 R N 0.002 120.494 120.500 -0.013 0.000 2.075 122 R HA -0.067 4.274 4.340 0.001 0.000 0.232 122 R C 1.915 178.205 176.300 -0.016 0.000 1.126 122 R CA 1.552 57.642 56.100 -0.017 0.000 0.963 122 R CB -1.558 28.730 30.300 -0.021 0.000 0.858 122 R HN -0.017 nan 8.270 nan 0.000 0.435 123 V N 0.875 120.781 119.914 -0.013 0.000 2.407 123 V HA -0.232 3.888 4.120 0.001 0.000 0.248 123 V C 2.353 178.441 176.094 -0.009 0.000 1.055 123 V CA 2.105 64.399 62.300 -0.010 0.000 1.049 123 V CB -0.644 31.179 31.823 -0.000 0.000 0.662 123 V HN 0.368 nan 8.190 nan 0.000 0.455 124 Q N 0.543 120.339 119.800 -0.007 0.000 2.050 124 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 124 Q C 2.118 178.111 176.000 -0.012 0.000 0.980 124 Q CA 2.127 57.925 55.803 -0.008 0.000 0.840 124 Q CB -0.307 28.428 28.738 -0.006 0.000 0.898 124 Q HN 0.712 nan 8.270 nan 0.000 0.424 125 E N -0.221 119.971 120.200 -0.013 0.000 2.049 125 E HA -0.213 4.138 4.350 0.001 0.000 0.198 125 E C 2.053 178.643 176.600 -0.018 0.000 1.007 125 E CA 1.574 57.965 56.400 -0.015 0.000 0.809 125 E CB -0.302 29.389 29.700 -0.015 0.000 0.749 125 E HN 0.424 nan 8.360 nan 0.000 0.450 126 I N 0.643 121.200 120.570 -0.021 0.000 2.163 126 I HA -0.292 3.879 4.170 0.001 0.000 0.243 126 I C 2.408 178.511 176.117 -0.024 0.000 1.085 126 I CA 0.929 62.213 61.300 -0.026 0.000 1.347 126 I CB -0.289 37.691 38.000 -0.035 0.000 1.044 126 I HN 0.010 nan 8.210 nan 0.000 0.408 127 V N 0.703 120.605 119.914 -0.020 0.000 2.307 127 V HA -0.285 3.836 4.120 0.001 0.000 0.245 127 V C 2.086 178.166 176.094 -0.024 0.000 1.045 127 V CA 2.026 64.314 62.300 -0.019 0.000 1.024 127 V CB -0.668 31.147 31.823 -0.013 0.000 0.651 127 V HN 0.391 nan 8.190 nan 0.000 0.449 128 D N 0.727 121.113 120.400 -0.023 0.000 2.104 128 D HA -0.141 4.499 4.640 0.001 0.000 0.194 128 D C 2.192 178.475 176.300 -0.029 0.000 0.994 128 D CA 1.756 55.739 54.000 -0.028 0.000 0.830 128 D CB -0.735 40.052 40.800 -0.022 0.000 0.959 128 D HN 0.461 nan 8.370 nan 0.000 0.452 129 G N 0.591 109.378 108.800 -0.022 0.000 2.421 129 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 129 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 129 G C 1.792 176.681 174.900 -0.017 0.000 1.171 129 G CA 0.319 45.409 45.100 -0.018 0.000 0.775 129 G HN 0.250 nan 8.290 nan 0.000 0.543 130 L N 0.202 121.415 121.223 -0.017 0.000 2.046 130 L HA -0.082 4.259 4.340 0.001 0.000 0.208 130 L C 2.981 179.835 176.870 -0.026 0.000 1.077 130 L CA 0.484 55.318 54.840 -0.010 0.000 0.747 130 L CB -0.410 41.646 42.059 -0.006 0.000 0.896 130 L HN 0.100 nan 8.230 nan 0.000 0.432 131 V N -0.451 119.435 119.914 -0.047 0.000 2.427 131 V HA -0.251 3.870 4.120 0.001 0.000 0.248 131 V C 2.069 178.103 176.094 -0.100 0.000 1.051 131 V CA 1.650 63.896 62.300 -0.089 0.000 1.048 131 V CB -0.491 31.274 31.823 -0.096 0.000 0.666 131 V HN 0.406 nan 8.190 nan 0.000 0.456 132 D N 0.728 121.090 120.400 -0.064 0.000 2.123 132 D HA -0.154 4.487 4.640 0.001 0.000 0.196 132 D C 2.227 178.507 176.300 -0.033 0.000 0.992 132 D CA 1.770 55.740 54.000 -0.051 0.000 0.833 132 D CB -0.323 40.459 40.800 -0.029 0.000 0.954 132 D HN 0.445 nan 8.370 nan 0.000 0.455 133 A N 0.691 123.502 122.820 -0.016 0.000 1.898 133 A HA -0.124 4.196 4.320 0.001 0.000 0.216 133 A C 2.192 179.792 177.584 0.026 0.000 1.181 133 A CA 1.510 53.554 52.037 0.011 0.000 0.620 133 A CB -0.586 18.426 19.000 0.020 0.000 0.819 133 A HN 0.237 nan 8.150 nan 0.000 0.442 134 M N -0.420 119.180 119.600 -0.000 0.000 2.132 134 M HA -0.033 4.448 4.480 0.001 0.000 0.263 134 M C 1.447 177.751 176.300 0.006 0.000 1.065 134 M CA 1.552 56.867 55.300 0.024 0.000 1.122 134 M CB -0.225 32.352 32.600 -0.038 0.000 1.365 134 M HN 0.358 nan 8.290 nan 0.000 0.411 135 L N 0.181 121.293 121.223 -0.184 0.000 2.622 135 L HA -0.011 4.330 4.340 0.001 0.000 0.233 135 L C 2.105 179.038 176.870 0.105 0.000 1.156 135 L CA 0.292 54.986 54.840 -0.244 0.000 0.866 135 L CB -0.688 41.148 42.059 -0.373 0.000 0.980 135 L HN 0.380 nan 8.230 nan 0.000 0.448 136 A N 0.116 123.005 122.820 0.115 0.000 2.275 136 A HA 0.382 4.703 4.320 0.001 0.000 0.212 136 A C 1.322 179.006 177.584 0.167 0.000 1.201 136 A CA 0.160 52.271 52.037 0.123 0.000 0.843 136 A CB -0.223 18.818 19.000 0.068 0.000 0.873 136 A HN 0.246 nan 8.150 nan 0.000 0.492 137 A N 1.073 124.052 122.820 0.265 0.000 2.566 137 A HA 0.381 4.702 4.320 0.001 0.000 0.245 137 A C -0.809 176.855 177.584 0.134 0.000 1.056 137 A CA -0.534 51.629 52.037 0.209 0.000 0.757 137 A CB -0.096 19.073 19.000 0.281 0.000 0.979 137 A HN 0.244 nan 8.150 nan 0.000 0.508 138 P HA -0.167 nan 4.420 nan 0.000 0.216 138 P C 0.579 177.871 177.300 -0.012 0.000 1.150 138 P CA 1.776 64.893 63.100 0.029 0.000 0.843 138 P CB 0.129 31.837 31.700 0.014 0.000 0.787 139 D N -2.346 118.018 120.400 -0.060 0.000 2.427 139 D HA 0.130 4.771 4.640 0.001 0.000 0.224 139 D C 1.007 177.143 176.300 -0.275 0.000 1.157 139 D CA 0.051 53.975 54.000 -0.127 0.000 0.828 139 D CB -0.888 39.843 40.800 -0.116 0.000 0.974 139 D HN 0.149 nan 8.370 nan 0.000 0.498 140 G N 1.164 109.771 108.800 -0.322 0.000 2.283 140 G HA2 -0.340 3.621 3.960 0.001 0.000 0.280 140 G HA3 -0.340 3.621 3.960 0.001 0.000 0.280 140 G C 0.040 174.008 174.900 -1.554 0.000 1.029 140 G CA 0.251 44.799 45.100 -0.920 0.000 0.840 140 G HN 0.481 nan 8.290 nan 0.000 0.505 141 R N -0.918 119.052 120.500 -0.882 0.000 2.795 141 R HA 0.878 5.219 4.340 0.001 0.000 0.275 141 R C -0.116 176.056 176.300 -0.214 0.000 0.981 141 R CA -0.108 55.623 56.100 -0.614 0.000 0.917 141 R CB 2.193 32.302 30.300 -0.318 0.000 1.202 141 R HN 1.023 nan 8.270 nan 0.000 0.469 142 A N 0.782 123.588 122.820 -0.023 0.000 2.515 142 A HA 0.324 4.645 4.320 0.001 0.000 0.292 142 A C -2.057 175.593 177.584 0.110 0.000 1.065 142 A CA -0.751 51.361 52.037 0.126 0.000 0.641 142 A CB 1.599 20.789 19.000 0.317 0.000 1.306 142 A HN 0.622 nan 8.150 nan 0.000 0.441 143 D N 0.369 120.822 120.400 0.090 0.000 2.373 143 D HA 0.418 5.059 4.640 0.001 0.000 0.227 143 D C 0.808 177.160 176.300 0.087 0.000 1.091 143 D CA -0.486 53.550 54.000 0.060 0.000 0.840 143 D CB 1.275 42.089 40.800 0.022 0.000 1.060 143 D HN 0.386 nan 8.370 nan 0.000 0.502 144 L N 4.646 125.924 121.223 0.091 0.000 2.127 144 L HA -0.090 4.251 4.340 0.001 0.000 0.211 144 L C 1.919 178.842 176.870 0.088 0.000 1.089 144 L CA 1.619 56.515 54.840 0.094 0.000 0.757 144 L CB -0.624 41.488 42.059 0.088 0.000 0.899 144 L HN 0.619 nan 8.230 nan 0.000 0.434 145 M N -0.422 119.219 119.600 0.069 0.000 2.067 145 M HA -0.225 4.256 4.480 0.001 0.000 0.260 145 M C 2.232 178.619 176.300 0.145 0.000 1.069 145 M CA 2.076 57.431 55.300 0.091 0.000 1.117 145 M CB -0.613 32.008 32.600 0.035 0.000 1.334 145 M HN 0.410 nan 8.290 nan 0.000 0.407 146 E N -1.231 119.028 120.200 0.099 0.000 2.107 146 E HA -0.119 4.232 4.350 0.001 0.000 0.191 146 E C 1.665 178.356 176.600 0.153 0.000 0.982 146 E CA 1.385 57.852 56.400 0.111 0.000 0.809 146 E CB 0.012 29.737 29.700 0.042 0.000 0.756 146 E HN 0.565 nan 8.360 nan 0.000 0.459 147 S N -0.030 115.743 115.700 0.122 0.000 2.461 147 S HA -0.016 4.455 4.470 0.001 0.000 0.228 147 S C 1.429 176.086 174.600 0.095 0.000 1.005 147 S CA 0.703 58.968 58.200 0.108 0.000 0.942 147 S CB 0.270 63.530 63.200 0.100 0.000 0.776 147 S HN 0.273 nan 8.310 nan 0.000 0.514 148 L N -0.486 120.799 121.223 0.103 0.000 2.186 148 L HA 0.530 4.871 4.340 0.001 0.000 0.182 148 L C 1.890 178.810 176.870 0.084 0.000 1.190 148 L CA 0.948 55.831 54.840 0.072 0.000 1.051 148 L CB -1.109 40.977 42.059 0.044 0.000 2.162 148 L HN 0.027 nan 8.230 nan 0.000 0.494 149 A N -0.170 122.715 122.820 0.108 0.000 1.903 149 A HA -0.313 4.008 4.320 0.001 0.000 0.219 149 A C 2.041 179.718 177.584 0.155 0.000 1.191 149 A CA 2.632 54.741 52.037 0.120 0.000 0.638 149 A CB -1.457 17.619 19.000 0.127 0.000 0.823 149 A HN 0.743 nan 8.150 nan 0.000 0.451 150 W N 0.660 121.993 121.300 0.055 0.000 2.444 150 W HA 0.052 4.713 4.660 0.001 0.000 0.308 150 W C -1.106 175.447 176.519 0.056 0.000 1.183 150 W CA 1.628 59.017 57.345 0.074 0.000 1.340 150 W CB -0.985 28.513 29.460 0.064 0.000 1.138 150 W HN 0.245 nan 8.180 nan 0.000 0.510 151 P HA -0.239 nan 4.420 nan 0.000 0.216 151 P C 1.809 178.921 177.300 -0.313 0.000 1.153 151 P CA 2.015 64.952 63.100 -0.271 0.000 0.858 151 P CB -0.384 31.336 31.700 0.035 0.000 0.789 152 L N 0.203 121.328 121.223 -0.163 0.000 1.955 152 L HA -0.072 4.269 4.340 0.001 0.000 0.213 152 L C -0.860 175.915 176.870 -0.159 0.000 1.072 152 L CA 2.844 57.609 54.840 -0.124 0.000 0.755 152 L CB -2.313 39.717 42.059 -0.049 0.000 0.888 152 L HN -0.006 nan 8.230 nan 0.000 0.432 153 P HA -0.179 nan 4.420 nan 0.000 0.215 153 P C 1.995 179.179 177.300 -0.194 0.000 1.153 153 P CA 1.538 64.581 63.100 -0.095 0.000 0.853 153 P CB -0.159 31.536 31.700 -0.007 0.000 0.788 154 I N -1.016 119.292 120.570 -0.437 0.000 2.315 154 I HA -0.189 3.982 4.170 0.001 0.000 0.248 154 I C 1.731 177.576 176.117 -0.453 0.000 1.117 154 I CA 1.969 62.886 61.300 -0.639 0.000 1.404 154 I CB -1.091 36.243 38.000 -1.110 0.000 1.071 154 I HN -0.100 nan 8.210 nan 0.000 0.419 155 T N -0.282 114.052 114.554 -0.368 0.000 2.777 155 T HA -0.115 4.236 4.350 0.001 0.000 0.266 155 T C 2.021 176.627 174.700 -0.157 0.000 1.040 155 T CA 1.722 63.682 62.100 -0.234 0.000 1.141 155 T CB -0.386 68.375 68.868 -0.178 0.000 0.868 155 T HN 0.183 nan 8.240 nan 0.000 0.444 156 V N 1.228 121.065 119.914 -0.128 0.000 2.261 156 V HA -0.112 4.009 4.120 0.001 0.000 0.246 156 V C 2.355 178.416 176.094 -0.055 0.000 1.047 156 V CA 1.386 63.644 62.300 -0.069 0.000 1.015 156 V CB -0.530 31.273 31.823 -0.033 0.000 0.642 156 V HN 0.352 nan 8.190 nan 0.000 0.446 157 I N -0.171 120.363 120.570 -0.061 0.000 2.394 157 I HA -0.161 4.010 4.170 0.001 0.000 0.251 157 I C 2.441 178.513 176.117 -0.074 0.000 1.136 157 I CA 1.427 62.712 61.300 -0.024 0.000 1.425 157 I CB -0.254 37.742 38.000 -0.006 0.000 1.079 157 I HN 0.188 nan 8.210 nan 0.000 0.425 158 S N 0.119 115.725 115.700 -0.157 0.000 2.383 158 S HA -0.153 4.318 4.470 0.001 0.000 0.227 158 S C 1.832 176.390 174.600 -0.069 0.000 1.026 158 S CA 1.280 59.389 58.200 -0.153 0.000 0.981 158 S CB -0.283 62.787 63.200 -0.216 0.000 0.818 158 S HN 0.550 nan 8.310 nan 0.000 0.472 159 E N 0.886 121.047 120.200 -0.064 0.000 2.106 159 E HA -0.036 4.314 4.350 0.001 0.000 0.192 159 E C 1.967 178.551 176.600 -0.026 0.000 0.984 159 E CA 0.682 57.059 56.400 -0.038 0.000 0.806 159 E CB -0.214 29.461 29.700 -0.042 0.000 0.750 159 E HN 0.417 nan 8.360 nan 0.000 0.458 160 L N 0.385 121.594 121.223 -0.024 0.000 2.056 160 L HA -0.139 4.202 4.340 0.001 0.000 0.207 160 L C 2.088 178.961 176.870 0.005 0.000 1.078 160 L CA 0.912 55.741 54.840 -0.019 0.000 0.749 160 L CB -0.096 41.957 42.059 -0.010 0.000 0.901 160 L HN 0.144 nan 8.230 nan 0.000 0.433 161 L N -0.343 120.894 121.223 0.023 0.000 2.653 161 L HA 0.202 4.543 4.340 0.001 0.000 0.231 161 L C 1.031 177.928 176.870 0.046 0.000 1.153 161 L CA 0.079 54.947 54.840 0.046 0.000 0.933 161 L CB -0.148 41.953 42.059 0.070 0.000 1.175 161 L HN 0.419 nan 8.230 nan 0.000 0.473 162 G N 0.833 109.650 108.800 0.028 0.000 2.295 162 G HA2 -0.243 3.718 3.960 0.001 0.000 0.287 162 G HA3 -0.243 3.718 3.960 0.001 0.000 0.287 162 G C 0.001 174.943 174.900 0.070 0.000 1.055 162 G CA 0.068 45.191 45.100 0.038 0.000 0.922 162 G HN 0.132 nan 8.290 nan 0.000 0.503 163 V N 1.316 121.273 119.914 0.072 0.000 2.385 163 V HA 0.314 4.435 4.120 0.001 0.000 0.269 163 V C -1.313 174.850 176.094 0.116 0.000 1.043 163 V CA -1.535 60.855 62.300 0.149 0.000 0.906 163 V CB 1.417 33.306 31.823 0.109 0.000 0.995 163 V HN 0.184 nan 8.190 nan 0.000 0.467 164 P HA -0.030 nan 4.420 nan 0.000 0.264 164 P C 1.004 178.361 177.300 0.095 0.000 1.183 164 P CA 0.245 63.413 63.100 0.113 0.000 0.763 164 P CB 0.625 32.407 31.700 0.137 0.000 0.807 165 E N 5.429 125.660 120.200 0.052 0.000 2.097 165 E HA -0.202 4.148 4.350 0.001 0.000 0.196 165 E C -0.893 175.738 176.600 0.051 0.000 1.000 165 E CA 2.226 58.646 56.400 0.033 0.000 0.804 165 E CB -1.642 28.069 29.700 0.018 0.000 0.740 165 E HN 0.373 nan 8.360 nan 0.000 0.454 166 P HA -0.039 nan 4.420 nan 0.000 0.230 166 P C 0.255 177.585 177.300 0.051 0.000 1.158 166 P CA 0.987 64.118 63.100 0.051 0.000 0.769 166 P CB 0.012 31.740 31.700 0.047 0.000 0.807 167 D N -1.595 118.856 120.400 0.085 0.000 2.350 167 D HA 0.072 4.713 4.640 0.001 0.000 0.213 167 D C 1.796 178.143 176.300 0.079 0.000 1.031 167 D CA 0.258 54.290 54.000 0.054 0.000 0.861 167 D CB -0.084 40.823 40.800 0.177 0.000 0.926 167 D HN 0.144 nan 8.370 nan 0.000 0.520 168 R N 0.952 121.529 120.500 0.128 0.000 2.096 168 R HA 0.003 4.343 4.340 0.001 0.000 0.235 168 R C 2.163 178.661 176.300 0.330 0.000 1.127 168 R CA 1.174 57.386 56.100 0.188 0.000 0.968 168 R CB -0.193 30.122 30.300 0.024 0.000 0.861 168 R HN 0.037 nan 8.270 nan 0.000 0.440 169 A N 1.229 124.183 122.820 0.224 0.000 2.076 169 A HA -0.137 4.184 4.320 0.001 0.000 0.220 169 A C 2.287 179.791 177.584 -0.133 0.000 1.160 169 A CA 1.630 53.734 52.037 0.112 0.000 0.653 169 A CB -0.533 18.449 19.000 -0.031 0.000 0.801 169 A HN 0.412 nan 8.150 nan 0.000 0.455 170 A N -1.122 121.527 122.820 -0.284 0.000 1.969 170 A HA 0.063 4.383 4.320 0.001 0.000 0.218 170 A C 1.784 178.744 177.584 -1.040 0.000 1.169 170 A CA 1.264 52.788 52.037 -0.855 0.000 0.635 170 A CB -0.666 17.575 19.000 -1.266 0.000 0.810 170 A HN 0.470 nan 8.150 nan 0.000 0.445 171 F N -0.319 119.373 119.950 -0.430 0.000 2.293 171 F HA -0.024 4.504 4.527 0.001 0.000 0.300 171 F C 2.333 178.191 175.800 0.097 0.000 1.086 171 F CA 1.369 59.380 58.000 0.019 0.000 1.375 171 F CB -0.284 38.827 39.000 0.185 0.000 1.045 171 F HN 0.184 nan 8.300 nan 0.000 0.516 172 R N 0.327 120.934 120.500 0.179 0.000 2.075 172 R HA -0.103 4.238 4.340 0.001 0.000 0.232 172 R C 2.076 178.257 176.300 -0.198 0.000 1.126 172 R CA 1.252 57.309 56.100 -0.070 0.000 0.963 172 R CB -0.394 29.454 30.300 -0.753 0.000 0.858 172 R HN 0.151 nan 8.270 nan 0.000 0.435 173 V N -0.056 119.665 119.914 -0.322 0.000 2.295 173 V HA -0.256 3.864 4.120 0.001 0.000 0.246 173 V C 2.099 178.046 176.094 -0.245 0.000 1.049 173 V CA 1.617 63.722 62.300 -0.325 0.000 1.024 173 V CB -0.628 30.929 31.823 -0.443 0.000 0.648 173 V HN 0.465 nan 8.190 nan 0.000 0.447 174 W N 0.433 121.533 121.300 -0.333 0.000 2.363 174 W HA -0.112 4.548 4.660 0.001 0.000 0.296 174 W C 2.626 178.543 176.519 -1.002 0.000 1.212 174 W CA 1.628 58.590 57.345 -0.639 0.000 1.260 174 W CB -1.789 27.331 29.460 -0.566 0.000 1.131 174 W HN 0.265 nan 8.180 nan 0.000 0.530 175 T N 0.198 114.607 114.554 -0.241 0.000 2.777 175 T HA -0.152 4.199 4.350 0.001 0.000 0.266 175 T C 1.220 175.839 174.700 -0.134 0.000 1.040 175 T CA 1.700 63.731 62.100 -0.115 0.000 1.141 175 T CB -0.319 68.651 68.868 0.170 0.000 0.868 175 T HN -0.015 nan 8.240 nan 0.000 0.444 176 D N 1.339 121.654 120.400 -0.141 0.000 2.178 176 D HA 0.015 4.656 4.640 0.001 0.000 0.202 176 D C 2.246 178.485 176.300 -0.100 0.000 0.974 176 D CA 0.973 54.900 54.000 -0.121 0.000 0.841 176 D CB -0.276 40.460 40.800 -0.107 0.000 0.953 176 D HN 0.411 nan 8.370 nan 0.000 0.478 177 A N -0.201 122.534 122.820 -0.143 0.000 2.014 177 A HA -0.051 4.270 4.320 0.001 0.000 0.218 177 A C 2.020 179.675 177.584 0.118 0.000 1.163 177 A CA 0.635 52.641 52.037 -0.051 0.000 0.652 177 A CB -0.662 18.293 19.000 -0.075 0.000 0.808 177 A HN 0.200 nan 8.150 nan 0.000 0.449 178 F N -0.816 119.150 119.950 0.026 0.000 2.123 178 F HA -0.082 4.445 4.527 0.001 0.000 0.289 178 F C 2.406 178.182 175.800 -0.040 0.000 1.099 178 F CA 0.582 58.586 58.000 0.007 0.000 1.234 178 F CB -0.397 38.623 39.000 0.033 0.000 1.034 178 F HN -0.009 nan 8.300 nan 0.000 0.479 179 V N 0.971 120.944 119.914 0.099 0.000 2.215 179 V HA -0.310 3.811 4.120 0.001 0.000 0.246 179 V C 1.242 177.264 176.094 -0.120 0.000 1.047 179 V CA 2.250 64.476 62.300 -0.124 0.000 0.999 179 V CB -1.259 30.285 31.823 -0.465 0.000 0.635 179 V HN 0.288 nan 8.190 nan 0.000 0.450 180 F N 2.779 122.642 119.950 -0.145 0.000 2.366 180 F HA 0.626 5.154 4.527 0.001 0.000 0.328 180 F C -2.159 173.651 175.800 0.017 0.000 1.180 180 F CA -2.437 55.547 58.000 -0.027 0.000 1.232 180 F CB -0.894 38.122 39.000 0.026 0.000 1.513 180 F HN 0.239 nan 8.300 nan 0.000 0.540 181 P HA 0.309 nan 4.420 nan 0.000 0.271 181 P C 0.390 177.718 177.300 0.045 0.000 1.226 181 P CA 1.026 64.157 63.100 0.052 0.000 0.765 181 P CB 0.828 32.576 31.700 0.079 0.000 0.835 182 D N 1.557 121.979 120.400 0.035 0.000 2.363 182 D HA -0.025 4.616 4.640 0.001 0.000 0.226 182 D C 0.385 176.704 176.300 0.032 0.000 1.020 182 D CA 0.505 54.524 54.000 0.031 0.000 0.892 182 D CB -0.058 40.754 40.800 0.021 0.000 0.900 182 D HN 0.611 nan 8.370 nan 0.000 0.531 183 D N -3.345 117.077 120.400 0.037 0.000 2.747 183 D HA 0.214 4.855 4.640 0.001 0.000 0.218 183 D C -2.408 173.918 176.300 0.043 0.000 1.230 183 D CA -0.919 53.103 54.000 0.036 0.000 0.774 183 D CB 1.693 42.510 40.800 0.028 0.000 1.667 183 D HN -0.208 nan 8.370 nan 0.000 0.499 184 P HA -0.146 nan 4.420 nan 0.000 0.216 184 P C 1.108 178.433 177.300 0.041 0.000 1.157 184 P CA 2.283 65.409 63.100 0.043 0.000 0.880 184 P CB 0.131 31.853 31.700 0.036 0.000 0.791 185 A N -0.613 122.227 122.820 0.033 0.000 1.972 185 A HA -0.258 4.063 4.320 0.001 0.000 0.219 185 A C 2.220 179.829 177.584 0.042 0.000 1.169 185 A CA 1.439 53.493 52.037 0.030 0.000 0.635 185 A CB -1.133 17.880 19.000 0.022 0.000 0.810 185 A HN 0.140 nan 8.150 nan 0.000 0.446 186 Q N -0.282 119.548 119.800 0.049 0.000 2.077 186 Q HA -0.220 4.121 4.340 0.001 0.000 0.206 186 Q C 2.485 178.546 176.000 0.101 0.000 0.989 186 Q CA 1.815 57.654 55.803 0.061 0.000 0.853 186 Q CB -0.891 27.878 28.738 0.052 0.000 0.907 186 Q HN 0.668 nan 8.270 nan 0.000 0.418 187 A N 1.360 124.256 122.820 0.126 0.000 1.883 187 A HA -0.234 4.087 4.320 0.001 0.000 0.217 187 A C 2.138 179.829 177.584 0.178 0.000 1.186 187 A CA 1.554 53.724 52.037 0.221 0.000 0.624 187 A CB -0.456 18.638 19.000 0.158 0.000 0.822 187 A HN 0.277 nan 8.150 nan 0.000 0.444 188 Q N -0.530 119.313 119.800 0.072 0.000 2.050 188 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 188 Q C 2.244 178.259 176.000 0.024 0.000 0.980 188 Q CA 2.098 57.912 55.803 0.018 0.000 0.840 188 Q CB -1.242 27.493 28.738 -0.006 0.000 0.898 188 Q HN 0.680 nan 8.270 nan 0.000 0.424 189 T N 1.536 116.114 114.554 0.041 0.000 2.746 189 T HA -0.121 4.230 4.350 0.001 0.000 0.267 189 T C 1.875 176.594 174.700 0.031 0.000 1.039 189 T CA 1.478 63.596 62.100 0.031 0.000 1.142 189 T CB -0.273 68.621 68.868 0.043 0.000 0.866 189 T HN 0.433 nan 8.240 nan 0.000 0.444 190 A N 1.354 124.226 122.820 0.087 0.000 1.902 190 A HA -0.060 4.260 4.320 0.001 0.000 0.217 190 A C 2.350 179.890 177.584 -0.074 0.000 1.181 190 A CA 1.523 53.587 52.037 0.046 0.000 0.623 190 A CB -0.670 18.387 19.000 0.095 0.000 0.818 190 A HN 0.448 nan 8.150 nan 0.000 0.443 191 M N -0.735 118.943 119.600 0.131 0.000 2.117 191 M HA -0.152 4.329 4.480 0.001 0.000 0.262 191 M C 2.547 178.742 176.300 -0.176 0.000 1.065 191 M CA 1.415 56.693 55.300 -0.037 0.000 1.114 191 M CB -0.412 32.104 32.600 -0.141 0.000 1.361 191 M HN 0.509 nan 8.290 nan 0.000 0.408 192 A N 0.244 122.986 122.820 -0.130 0.000 1.898 192 A HA -0.168 4.153 4.320 0.001 0.000 0.216 192 A C 1.886 179.379 177.584 -0.152 0.000 1.181 192 A CA 1.641 53.605 52.037 -0.121 0.000 0.620 192 A CB -0.651 18.308 19.000 -0.068 0.000 0.819 192 A HN 0.504 nan 8.150 nan 0.000 0.442 193 E N -0.923 119.170 120.200 -0.179 0.000 2.038 193 E HA -0.243 4.108 4.350 0.001 0.000 0.195 193 E C 2.101 178.455 176.600 -0.409 0.000 1.000 193 E CA 1.533 57.837 56.400 -0.160 0.000 0.803 193 E CB -0.279 29.425 29.700 0.008 0.000 0.750 193 E HN 0.666 nan 8.360 nan 0.000 0.448 194 M N 0.519 119.510 119.600 -1.015 0.000 2.080 194 M HA -0.225 4.256 4.480 0.001 0.000 0.260 194 M C 2.534 178.608 176.300 -0.377 0.000 1.068 194 M CA 1.469 56.033 55.300 -1.227 0.000 1.109 194 M CB -0.103 31.799 32.600 -1.165 0.000 1.342 194 M HN 0.051 nan 8.290 nan 0.000 0.405 195 S N -0.186 115.359 115.700 -0.259 0.000 2.370 195 S HA -0.128 4.343 4.470 0.001 0.000 0.226 195 S C 1.842 176.403 174.600 -0.065 0.000 1.033 195 S CA 1.729 59.852 58.200 -0.127 0.000 1.011 195 S CB -0.745 62.371 63.200 -0.140 0.000 0.852 195 S HN 0.706 nan 8.310 nan 0.000 0.457 196 G N -0.609 108.155 108.800 -0.060 0.000 2.402 196 G HA2 -0.194 3.766 3.960 0.001 0.000 0.216 196 G HA3 -0.194 3.766 3.960 0.001 0.000 0.216 196 G C 1.299 176.222 174.900 0.039 0.000 1.162 196 G CA 0.938 46.035 45.100 -0.006 0.000 0.777 196 G HN 0.636 nan 8.290 nan 0.000 0.539 197 Y N 1.221 121.504 120.300 -0.028 0.000 2.145 197 Y HA -0.052 4.499 4.550 0.001 0.000 0.286 197 Y C 2.547 178.494 175.900 0.078 0.000 1.145 197 Y CA 1.408 59.548 58.100 0.066 0.000 1.148 197 Y CB -0.285 38.278 38.460 0.171 0.000 0.981 197 Y HN 0.104 nan 8.280 nan 0.000 0.507 198 L N -0.908 120.333 121.223 0.031 0.000 2.046 198 L HA -0.241 4.100 4.340 0.001 0.000 0.208 198 L C 2.511 179.346 176.870 -0.058 0.000 1.077 198 L CA 1.570 56.414 54.840 0.008 0.000 0.747 198 L CB -0.743 41.396 42.059 0.133 0.000 0.896 198 L HN 0.158 nan 8.230 nan 0.000 0.432 199 S N -0.486 115.188 115.700 -0.043 0.000 2.368 199 S HA -0.150 4.321 4.470 0.001 0.000 0.225 199 S C 2.054 176.615 174.600 -0.065 0.000 1.030 199 S CA 1.122 59.298 58.200 -0.039 0.000 0.999 199 S CB -0.190 62.994 63.200 -0.027 0.000 0.844 199 S HN 0.352 nan 8.310 nan 0.000 0.459 200 R N 0.278 120.718 120.500 -0.100 0.000 2.075 200 R HA 0.016 4.356 4.340 0.001 0.000 0.232 200 R C 2.310 178.521 176.300 -0.148 0.000 1.126 200 R CA 0.944 56.980 56.100 -0.106 0.000 0.963 200 R CB -0.462 29.780 30.300 -0.097 0.000 0.858 200 R HN 0.267 nan 8.270 nan 0.000 0.435 201 L N 1.169 122.233 121.223 -0.264 0.000 2.017 201 L HA -0.122 4.219 4.340 0.001 0.000 0.208 201 L C 1.943 178.758 176.870 -0.091 0.000 1.073 201 L CA 1.621 56.324 54.840 -0.227 0.000 0.745 201 L CB -0.344 41.518 42.059 -0.328 0.000 0.894 201 L HN 0.127 nan 8.230 nan 0.000 0.432 202 I N -0.357 120.174 120.570 -0.065 0.000 2.151 202 I HA -0.339 3.832 4.170 0.001 0.000 0.243 202 I C 2.223 178.327 176.117 -0.022 0.000 1.080 202 I CA 1.644 62.931 61.300 -0.021 0.000 1.339 202 I CB -0.507 37.489 38.000 -0.007 0.000 1.039 202 I HN 0.367 nan 8.210 nan 0.000 0.409 203 D N 0.402 120.783 120.400 -0.032 0.000 2.097 203 D HA -0.165 4.476 4.640 0.001 0.000 0.195 203 D C 2.337 178.626 176.300 -0.018 0.000 0.989 203 D CA 1.995 55.982 54.000 -0.023 0.000 0.827 203 D CB -0.066 40.720 40.800 -0.025 0.000 0.966 203 D HN 0.366 nan 8.370 nan 0.000 0.456 204 S N 0.215 115.899 115.700 -0.026 0.000 2.442 204 S HA -0.112 4.358 4.470 0.001 0.000 0.236 204 S C 1.657 176.253 174.600 -0.006 0.000 1.007 204 S CA 0.743 58.934 58.200 -0.015 0.000 0.965 204 S CB -0.003 63.186 63.200 -0.019 0.000 0.773 204 S HN 0.064 nan 8.310 nan 0.000 0.504 205 K N 1.214 121.610 120.400 -0.006 0.000 2.186 205 K HA 0.147 4.468 4.320 0.001 0.000 0.202 205 K C 1.110 177.712 176.600 0.002 0.000 1.052 205 K CA 0.179 56.467 56.287 0.002 0.000 0.965 205 K CB -0.446 32.057 32.500 0.006 0.000 0.746 205 K HN 0.462 nan 8.250 nan 0.000 0.457 206 R N 0.357 120.857 120.500 -0.000 0.000 2.538 206 R HA 0.011 4.352 4.340 0.001 0.000 0.282 206 R C 0.840 177.141 176.300 0.001 0.000 1.009 206 R CA 1.203 57.303 56.100 0.000 0.000 1.063 206 R CB -0.054 30.245 30.300 -0.002 0.000 0.945 206 R HN 0.478 nan 8.270 nan 0.000 0.414 207 G N 2.330 111.131 108.800 0.001 0.000 2.320 207 G HA2 -0.261 3.700 3.960 0.001 0.000 0.242 207 G HA3 -0.261 3.700 3.960 0.001 0.000 0.242 207 G C -0.094 174.807 174.900 0.002 0.000 1.033 207 G CA 0.035 45.136 45.100 0.002 0.000 0.620 207 G HN 0.565 nan 8.290 nan 0.000 0.517 208 Q N 0.976 120.778 119.800 0.003 0.000 2.317 208 Q HA 0.427 4.768 4.340 0.001 0.000 0.229 208 Q C -0.334 175.669 176.000 0.004 0.000 0.984 208 Q CA -0.110 55.695 55.803 0.004 0.000 0.911 208 Q CB 0.612 29.353 28.738 0.005 0.000 1.217 208 Q HN 0.408 nan 8.270 nan 0.000 0.501 209 D N 0.885 121.287 120.400 0.003 0.000 3.163 209 D HA 0.195 4.835 4.640 0.001 0.000 0.284 209 D C 0.327 176.629 176.300 0.003 0.000 1.368 209 D CA -0.049 53.952 54.000 0.003 0.000 0.895 209 D CB 0.103 40.904 40.800 0.001 0.000 1.061 209 D HN 0.533 nan 8.370 nan 0.000 0.496 210 G N 0.454 109.257 108.800 0.004 0.000 2.554 210 G HA2 -0.006 3.955 3.960 0.001 0.000 0.238 210 G HA3 -0.006 3.955 3.960 0.001 0.000 0.238 210 G C 0.688 175.589 174.900 0.002 0.000 1.259 210 G CA -0.229 44.874 45.100 0.005 0.000 0.843 210 G HN 0.178 nan 8.290 nan 0.000 0.582 211 E N -0.163 120.036 120.200 -0.001 0.000 2.498 211 E HA 0.065 4.416 4.350 0.001 0.000 0.203 211 E C 0.004 176.598 176.600 -0.009 0.000 1.013 211 E CA -0.071 56.326 56.400 -0.006 0.000 0.927 211 E CB 0.346 30.041 29.700 -0.009 0.000 1.012 211 E HN 0.815 nan 8.360 nan 0.000 0.482 212 D N -0.122 120.276 120.400 -0.003 0.000 2.377 212 D HA -0.004 4.637 4.640 0.001 0.000 0.245 212 D C 1.039 177.339 176.300 0.001 0.000 1.196 212 D CA -0.624 53.373 54.000 -0.004 0.000 0.962 212 D CB 1.016 41.820 40.800 0.006 0.000 1.127 212 D HN -0.155 nan 8.370 nan 0.000 0.471 213 L N 0.758 121.982 121.223 0.001 0.000 2.083 213 L HA -0.030 4.311 4.340 0.001 0.000 0.209 213 L C 1.754 178.646 176.870 0.036 0.000 1.083 213 L CA 1.370 56.218 54.840 0.013 0.000 0.752 213 L CB -0.967 41.102 42.059 0.018 0.000 0.899 213 L HN 0.674 nan 8.230 nan 0.000 0.433 214 L N -1.089 120.160 121.223 0.044 0.000 2.017 214 L HA -0.156 4.185 4.340 0.001 0.000 0.208 214 L C 2.506 179.397 176.870 0.035 0.000 1.073 214 L CA 2.026 56.896 54.840 0.051 0.000 0.745 214 L CB -0.951 41.143 42.059 0.058 0.000 0.894 214 L HN 0.286 nan 8.230 nan 0.000 0.432 215 S N -0.113 115.602 115.700 0.025 0.000 2.370 215 S HA -0.182 4.289 4.470 0.001 0.000 0.226 215 S C 2.101 176.710 174.600 0.015 0.000 1.033 215 S CA 1.143 59.353 58.200 0.017 0.000 1.011 215 S CB -0.670 62.537 63.200 0.012 0.000 0.852 215 S HN 0.665 nan 8.310 nan 0.000 0.457 216 A N 1.386 124.215 122.820 0.014 0.000 1.902 216 A HA -0.018 4.303 4.320 0.001 0.000 0.217 216 A C 2.134 179.729 177.584 0.019 0.000 1.181 216 A CA 1.186 53.230 52.037 0.012 0.000 0.623 216 A CB -0.720 18.284 19.000 0.008 0.000 0.818 216 A HN 0.450 nan 8.150 nan 0.000 0.443 217 L N -0.654 120.586 121.223 0.028 0.000 2.056 217 L HA -0.151 4.190 4.340 0.001 0.000 0.207 217 L C 2.539 179.425 176.870 0.027 0.000 1.078 217 L CA 0.952 55.812 54.840 0.034 0.000 0.749 217 L CB -0.490 41.599 42.059 0.050 0.000 0.901 217 L HN 0.249 nan 8.230 nan 0.000 0.433 218 V N -0.289 119.640 119.914 0.024 0.000 2.295 218 V HA -0.312 3.809 4.120 0.001 0.000 0.246 218 V C 2.654 178.755 176.094 0.012 0.000 1.049 218 V CA 1.786 64.096 62.300 0.017 0.000 1.024 218 V CB -0.539 31.292 31.823 0.014 0.000 0.648 218 V HN 0.358 nan 8.190 nan 0.000 0.447 219 R N -0.096 120.411 120.500 0.011 0.000 2.083 219 R HA -0.157 4.184 4.340 0.001 0.000 0.237 219 R C 2.477 178.782 176.300 0.008 0.000 1.137 219 R CA 2.252 58.356 56.100 0.008 0.000 0.951 219 R CB -0.945 29.359 30.300 0.007 0.000 0.851 219 R HN 0.531 nan 8.270 nan 0.000 0.434 220 T N -0.592 113.969 114.554 0.011 0.000 2.720 220 T HA -0.195 4.156 4.350 0.001 0.000 0.268 220 T C 1.867 176.573 174.700 0.010 0.000 1.037 220 T CA 1.742 63.848 62.100 0.011 0.000 1.144 220 T CB -0.374 68.503 68.868 0.015 0.000 0.864 220 T HN 0.268 nan 8.240 nan 0.000 0.444 221 S N 0.640 116.347 115.700 0.011 0.000 2.355 221 S HA -0.145 4.326 4.470 0.001 0.000 0.222 221 S C 1.767 176.368 174.600 0.003 0.000 1.031 221 S CA 1.292 59.496 58.200 0.008 0.000 0.993 221 S CB -0.486 62.720 63.200 0.010 0.000 0.859 221 S HN 0.373 nan 8.310 nan 0.000 0.453 222 D N 1.057 121.458 120.400 0.003 0.000 2.144 222 D HA -0.046 4.595 4.640 0.001 0.000 0.200 222 D C 2.076 178.376 176.300 0.000 0.000 0.978 222 D CA 1.052 55.052 54.000 0.001 0.000 0.833 222 D CB -0.341 40.460 40.800 0.001 0.000 0.961 222 D HN 0.609 nan 8.370 nan 0.000 0.470 223 E N -0.186 120.015 120.200 0.002 0.000 2.072 223 E HA -0.077 4.274 4.350 0.001 0.000 0.190 223 E C 0.282 176.883 176.600 0.001 0.000 0.982 223 E CA 0.688 57.089 56.400 0.001 0.000 0.803 223 E CB 0.330 30.031 29.700 0.002 0.000 0.755 223 E HN 0.040 nan 8.360 nan 0.000 0.453 224 D N -1.034 119.367 120.400 0.002 0.000 2.330 224 D HA 0.114 4.755 4.640 0.001 0.000 0.249 224 D C 0.386 176.687 176.300 0.001 0.000 1.306 224 D CA -0.193 53.807 54.000 0.001 0.000 0.956 224 D CB 1.079 41.880 40.800 0.003 0.000 1.261 224 D HN 0.088 nan 8.370 nan 0.000 0.544 225 G N 1.412 110.211 108.800 -0.002 0.000 2.653 225 G HA2 -0.194 3.767 3.960 0.001 0.000 0.212 225 G HA3 -0.194 3.767 3.960 0.001 0.000 0.212 225 G C 1.278 176.174 174.900 -0.005 0.000 1.138 225 G CA 0.804 45.901 45.100 -0.006 0.000 0.782 225 G HN 0.433 nan 8.290 nan 0.000 0.535 226 S N -0.170 115.529 115.700 -0.002 0.000 2.425 226 S HA 0.041 4.512 4.470 0.001 0.000 0.225 226 S C 2.396 176.998 174.600 0.004 0.000 1.024 226 S CA 0.441 58.641 58.200 0.000 0.000 0.951 226 S CB -0.094 63.107 63.200 0.002 0.000 0.796 226 S HN 0.474 nan 8.310 nan 0.000 0.498 227 R N -0.512 119.991 120.500 0.005 0.000 2.161 227 R HA 0.287 4.628 4.340 0.001 0.000 0.213 227 R C -0.538 175.769 176.300 0.012 0.000 1.055 227 R CA 0.503 56.609 56.100 0.009 0.000 0.996 227 R CB 0.056 30.361 30.300 0.009 0.000 0.901 227 R HN 0.312 nan 8.270 nan 0.000 0.456 228 L N 1.006 122.235 121.223 0.009 0.000 2.753 228 L HA 0.130 4.470 4.340 0.001 0.000 0.259 228 L C -0.365 176.505 176.870 0.000 0.000 0.958 228 L CA -0.325 54.522 54.840 0.011 0.000 0.955 228 L CB 1.671 43.742 42.059 0.020 0.000 1.317 228 L HN 0.058 nan 8.230 nan 0.000 0.436 229 T N -0.034 114.512 114.554 -0.013 0.000 2.788 229 T HA 0.278 4.629 4.350 0.001 0.000 0.287 229 T C 1.405 176.087 174.700 -0.030 0.000 1.007 229 T CA 0.133 62.214 62.100 -0.032 0.000 1.005 229 T CB 1.051 69.880 68.868 -0.065 0.000 1.012 229 T HN 0.794 nan 8.240 nan 0.000 0.530 230 S N 0.195 115.873 115.700 -0.035 0.000 2.383 230 S HA -0.191 4.280 4.470 0.001 0.000 0.229 230 S C 1.693 176.276 174.600 -0.029 0.000 1.030 230 S CA 1.365 59.550 58.200 -0.026 0.000 1.002 230 S CB -0.762 62.421 63.200 -0.028 0.000 0.829 230 S HN 0.834 nan 8.310 nan 0.000 0.467 231 E N 1.101 121.259 120.200 -0.071 0.000 2.107 231 E HA -0.051 4.300 4.350 0.001 0.000 0.191 231 E C 2.197 178.795 176.600 -0.003 0.000 0.982 231 E CA 1.083 57.437 56.400 -0.077 0.000 0.809 231 E CB -0.089 29.449 29.700 -0.270 0.000 0.756 231 E HN 0.709 nan 8.360 nan 0.000 0.459 232 E N 0.425 120.616 120.200 -0.015 0.000 2.208 232 E HA -0.154 4.197 4.350 0.001 0.000 0.193 232 E C 1.965 178.606 176.600 0.067 0.000 0.988 232 E CA 0.264 56.700 56.400 0.060 0.000 0.828 232 E CB 0.080 29.804 29.700 0.040 0.000 0.763 232 E HN 0.100 nan 8.360 nan 0.000 0.478 233 L N 0.951 122.199 121.223 0.042 0.000 2.027 233 L HA -0.133 4.208 4.340 0.001 0.000 0.206 233 L C 2.110 179.021 176.870 0.069 0.000 1.074 233 L CA 1.387 56.257 54.840 0.050 0.000 0.745 233 L CB -0.498 41.579 42.059 0.030 0.000 0.898 233 L HN 0.132 nan 8.230 nan 0.000 0.433 234 L N 0.035 121.295 121.223 0.062 0.000 2.046 234 L HA 0.027 4.367 4.340 0.001 0.000 0.208 234 L C 2.335 179.275 176.870 0.117 0.000 1.077 234 L CA 2.059 56.944 54.840 0.075 0.000 0.747 234 L CB -1.501 40.583 42.059 0.042 0.000 0.896 234 L HN 0.326 nan 8.230 nan 0.000 0.432 235 G N -0.709 108.163 108.800 0.120 0.000 2.440 235 G HA2 -0.356 3.605 3.960 0.001 0.000 0.218 235 G HA3 -0.356 3.605 3.960 0.001 0.000 0.218 235 G C 1.565 176.573 174.900 0.179 0.000 1.154 235 G CA 1.124 46.316 45.100 0.154 0.000 0.767 235 G HN 0.424 nan 8.290 nan 0.000 0.552 236 M N 1.362 121.046 119.600 0.140 0.000 2.132 236 M HA 0.275 4.755 4.480 0.001 0.000 0.263 236 M C 2.695 179.075 176.300 0.133 0.000 1.065 236 M CA 1.625 56.999 55.300 0.123 0.000 1.122 236 M CB -0.411 32.249 32.600 0.101 0.000 1.365 236 M HN 0.206 nan 8.290 nan 0.000 0.411 237 A N -0.702 122.205 122.820 0.146 0.000 1.908 237 A HA -0.254 4.067 4.320 0.001 0.000 0.218 237 A C 2.333 180.041 177.584 0.206 0.000 1.181 237 A CA 2.120 54.255 52.037 0.164 0.000 0.627 237 A CB -1.439 17.656 19.000 0.159 0.000 0.818 237 A HN 0.794 nan 8.150 nan 0.000 0.445 238 H N -0.876 118.276 119.070 0.137 0.000 2.299 238 H HA -0.108 4.448 4.556 0.001 0.000 0.302 238 H C 2.085 177.503 175.328 0.150 0.000 1.078 238 H CA 1.927 58.068 56.048 0.154 0.000 1.323 238 H CB -0.231 29.584 29.762 0.089 0.000 1.381 238 H HN 0.358 nan 8.280 nan 0.000 0.498 239 I N 1.254 121.777 120.570 -0.077 0.000 2.179 239 I HA -0.244 3.927 4.170 0.001 0.000 0.242 239 I C 2.594 178.663 176.117 -0.080 0.000 1.088 239 I CA 1.000 62.219 61.300 -0.134 0.000 1.357 239 I CB -0.534 37.488 38.000 0.037 0.000 1.051 239 I HN 0.265 nan 8.210 nan 0.000 0.409 240 L N -0.671 120.549 121.223 -0.006 0.000 2.046 240 L HA -0.228 4.113 4.340 0.001 0.000 0.208 240 L C 2.508 179.404 176.870 0.043 0.000 1.077 240 L CA 1.340 56.182 54.840 0.003 0.000 0.747 240 L CB -0.666 41.435 42.059 0.070 0.000 0.896 240 L HN 0.292 nan 8.230 nan 0.000 0.432 241 L N -1.223 120.046 121.223 0.076 0.000 2.072 241 L HA -0.154 4.187 4.340 0.001 0.000 0.205 241 L C 2.416 179.422 176.870 0.227 0.000 1.079 241 L CA 0.751 55.655 54.840 0.107 0.000 0.752 241 L CB -0.315 41.847 42.059 0.172 0.000 0.906 241 L HN 0.035 nan 8.230 nan 0.000 0.436 242 V N -0.185 119.826 119.914 0.162 0.000 2.255 242 V HA -0.173 3.948 4.120 0.001 0.000 0.243 242 V C 2.609 178.727 176.094 0.040 0.000 1.038 242 V CA 1.702 64.120 62.300 0.196 0.000 1.008 242 V CB -0.847 30.977 31.823 0.001 0.000 0.645 242 V HN 0.430 nan 8.190 nan 0.000 0.449 243 A N 0.583 123.385 122.820 -0.030 0.000 2.125 243 A HA -0.033 4.288 4.320 0.001 0.000 0.219 243 A C 2.173 179.750 177.584 -0.012 0.000 1.156 243 A CA 1.504 53.519 52.037 -0.037 0.000 0.671 243 A CB -0.969 18.005 19.000 -0.044 0.000 0.794 243 A HN 0.583 nan 8.150 nan 0.000 0.459 244 G N -1.405 107.419 108.800 0.040 0.000 2.776 244 G HA2 0.042 4.002 3.960 0.001 0.000 0.209 244 G HA3 0.042 4.002 3.960 0.001 0.000 0.209 244 G C 1.016 176.004 174.900 0.147 0.000 1.145 244 G CA 1.281 46.425 45.100 0.073 0.000 0.791 244 G HN 0.896 nan 8.290 nan 0.000 0.530 245 H N -1.760 117.314 119.070 0.007 0.000 3.337 245 H HA 0.005 4.562 4.556 0.001 0.000 0.222 245 H C 1.760 177.120 175.328 0.054 0.000 0.942 245 H CA 0.706 56.752 56.048 -0.003 0.000 1.006 245 H CB -0.505 29.208 29.762 -0.081 0.000 1.252 245 H HN 0.473 nan 8.280 nan 0.000 0.624 246 E N 2.479 122.244 120.200 -0.725 0.000 2.070 246 E HA -0.195 4.156 4.350 0.001 0.000 0.197 246 E C 1.820 178.381 176.600 -0.065 0.000 1.004 246 E CA 2.802 58.983 56.400 -0.365 0.000 0.805 246 E CB -0.449 29.095 29.700 -0.260 0.000 0.744 246 E HN 0.491 nan 8.360 nan 0.000 0.451 247 T N -1.574 112.960 114.554 -0.034 0.000 2.821 247 T HA -0.093 4.258 4.350 0.001 0.000 0.267 247 T C 2.088 176.822 174.700 0.057 0.000 1.046 247 T CA 1.589 63.707 62.100 0.030 0.000 1.139 247 T CB -0.839 68.049 68.868 0.034 0.000 0.871 247 T HN 0.158 nan 8.240 nan 0.000 0.454 248 T N 2.000 116.592 114.554 0.063 0.000 2.746 248 T HA -0.047 4.304 4.350 0.001 0.000 0.267 248 T C 2.141 176.893 174.700 0.086 0.000 1.039 248 T CA 1.158 63.309 62.100 0.086 0.000 1.142 248 T CB -0.666 68.256 68.868 0.089 0.000 0.866 248 T HN 0.240 nan 8.240 nan 0.000 0.444 249 V N 2.646 122.615 119.914 0.093 0.000 2.287 249 V HA -0.218 3.902 4.120 0.001 0.000 0.248 249 V C 2.458 178.626 176.094 0.125 0.000 1.053 249 V CA 1.646 64.024 62.300 0.129 0.000 1.027 249 V CB -0.556 31.394 31.823 0.211 0.000 0.646 249 V HN 0.487 nan 8.190 nan 0.000 0.447 250 N N -0.198 118.575 118.700 0.122 0.000 2.188 250 N HA -0.102 4.638 4.740 0.001 0.000 0.184 250 N C 1.705 177.276 175.510 0.102 0.000 1.018 250 N CA 1.177 54.298 53.050 0.119 0.000 0.858 250 N CB -0.391 38.183 38.487 0.146 0.000 0.989 250 N HN 0.396 nan 8.380 nan 0.000 0.426 251 L N 1.599 122.875 121.223 0.088 0.000 2.012 251 L HA -0.045 4.296 4.340 0.001 0.000 0.210 251 L C 1.987 178.911 176.870 0.090 0.000 1.073 251 L CA 1.330 56.216 54.840 0.077 0.000 0.748 251 L CB -0.586 41.509 42.059 0.060 0.000 0.891 251 L HN 0.070 nan 8.230 nan 0.000 0.431 252 I N -0.487 120.137 120.570 0.089 0.000 2.179 252 I HA -0.315 3.856 4.170 0.001 0.000 0.242 252 I C 2.567 178.737 176.117 0.089 0.000 1.088 252 I CA 1.285 62.637 61.300 0.087 0.000 1.357 252 I CB -0.686 37.362 38.000 0.080 0.000 1.051 252 I HN 0.399 nan 8.210 nan 0.000 0.409 253 A N 1.048 123.919 122.820 0.085 0.000 1.854 253 A HA -0.180 4.141 4.320 0.001 0.000 0.214 253 A C 2.058 179.701 177.584 0.098 0.000 1.192 253 A CA 1.780 53.858 52.037 0.068 0.000 0.611 253 A CB -0.701 18.311 19.000 0.020 0.000 0.832 253 A HN 0.381 nan 8.150 nan 0.000 0.442 254 N N 0.493 119.262 118.700 0.114 0.000 2.069 254 N HA -0.132 4.608 4.740 0.001 0.000 0.191 254 N C 1.808 177.447 175.510 0.215 0.000 1.031 254 N CA 1.689 54.867 53.050 0.212 0.000 0.852 254 N CB -1.017 37.606 38.487 0.226 0.000 1.018 254 N HN 0.474 nan 8.380 nan 0.000 0.423 255 G N 0.895 109.780 108.800 0.141 0.000 2.418 255 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 255 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 255 G C 1.426 176.368 174.900 0.071 0.000 1.158 255 G CA 0.638 45.801 45.100 0.104 0.000 0.771 255 G HN 0.130 nan 8.290 nan 0.000 0.545 256 M N -0.556 119.103 119.600 0.097 0.000 2.296 256 M HA 0.078 4.559 4.480 0.001 0.000 0.265 256 M C 2.198 178.548 176.300 0.083 0.000 1.064 256 M CA 0.384 55.734 55.300 0.084 0.000 1.109 256 M CB -0.941 31.714 32.600 0.091 0.000 1.396 256 M HN 0.446 nan 8.290 nan 0.000 0.430 257 Y N 1.011 121.322 120.300 0.019 0.000 2.220 257 Y HA -0.017 4.534 4.550 0.001 0.000 0.291 257 Y C 2.283 178.197 175.900 0.023 0.000 1.129 257 Y CA 1.652 59.770 58.100 0.031 0.000 1.161 257 Y CB -0.445 38.045 38.460 0.051 0.000 0.997 257 Y HN 0.156 nan 8.280 nan 0.000 0.522 258 A N 0.401 123.080 122.820 -0.235 0.000 1.902 258 A HA -0.182 4.139 4.320 0.001 0.000 0.217 258 A C 2.200 179.434 177.584 -0.584 0.000 1.181 258 A CA 1.823 53.532 52.037 -0.548 0.000 0.623 258 A CB -1.274 17.225 19.000 -0.834 0.000 0.818 258 A HN 0.539 nan 8.150 nan 0.000 0.443 259 L N -0.152 120.863 121.223 -0.346 0.000 1.994 259 L HA -0.087 4.254 4.340 0.001 0.000 0.208 259 L C 2.267 179.141 176.870 0.006 0.000 1.071 259 L CA 1.771 56.598 54.840 -0.022 0.000 0.745 259 L CB -0.503 41.610 42.059 0.090 0.000 0.892 259 L HN 0.406 nan 8.230 nan 0.000 0.431 260 L N -0.699 120.497 121.223 -0.046 0.000 2.275 260 L HA -0.094 4.247 4.340 0.001 0.000 0.215 260 L C 2.121 178.934 176.870 -0.095 0.000 1.119 260 L CA 1.114 55.935 54.840 -0.032 0.000 0.790 260 L CB -0.667 41.393 42.059 0.003 0.000 0.919 260 L HN 0.494 nan 8.230 nan 0.000 0.443 261 S N -2.722 112.843 115.700 -0.226 0.000 2.605 261 S HA 0.020 4.491 4.470 0.001 0.000 0.217 261 S C 0.264 174.637 174.600 -0.377 0.000 0.958 261 S CA -0.282 57.725 58.200 -0.322 0.000 0.919 261 S CB -0.285 62.538 63.200 -0.627 0.000 0.780 261 S HN 0.406 nan 8.310 nan 0.000 0.507 262 H N 1.176 120.166 119.070 -0.133 0.000 2.569 262 H HA 0.399 4.957 4.556 0.002 0.000 0.247 262 H C -2.280 173.051 175.328 0.005 0.000 1.346 262 H CA -1.590 54.436 56.048 -0.036 0.000 1.502 262 H CB 1.115 30.909 29.762 0.054 0.000 1.512 262 H HN 0.095 nan 8.280 nan 0.000 0.502 263 P HA -0.249 nan 4.420 nan 0.000 0.217 263 P C 1.011 178.341 177.300 0.049 0.000 1.162 263 P CA 1.500 64.618 63.100 0.030 0.000 0.901 263 P CB 0.465 32.166 31.700 0.001 0.000 0.793 264 D N -1.621 118.811 120.400 0.054 0.000 2.178 264 D HA -0.129 4.511 4.640 0.001 0.000 0.202 264 D C 2.064 178.390 176.300 0.044 0.000 0.974 264 D CA 0.931 54.956 54.000 0.041 0.000 0.841 264 D CB -0.439 40.380 40.800 0.032 0.000 0.953 264 D HN 0.217 nan 8.370 nan 0.000 0.478 265 Q N 0.217 120.068 119.800 0.085 0.000 2.083 265 Q HA -0.042 4.299 4.340 0.001 0.000 0.198 265 Q C 2.332 178.372 176.000 0.067 0.000 0.969 265 Q CA 0.290 56.127 55.803 0.056 0.000 0.838 265 Q CB -0.581 28.227 28.738 0.118 0.000 0.900 265 Q HN 0.275 nan 8.270 nan 0.000 0.436 266 L N 0.881 122.164 121.223 0.099 0.000 2.046 266 L HA -0.082 4.259 4.340 0.001 0.000 0.208 266 L C 2.079 178.976 176.870 0.045 0.000 1.077 266 L CA 2.226 57.112 54.840 0.076 0.000 0.747 266 L CB -0.943 41.159 42.059 0.071 0.000 0.896 266 L HN 0.124 nan 8.230 nan 0.000 0.432 267 A N -0.553 122.289 122.820 0.037 0.000 1.933 267 A HA -0.046 4.275 4.320 0.001 0.000 0.218 267 A C 2.448 180.041 177.584 0.014 0.000 1.175 267 A CA 1.723 53.774 52.037 0.023 0.000 0.628 267 A CB -1.125 17.887 19.000 0.019 0.000 0.814 267 A HN 0.597 nan 8.150 nan 0.000 0.444 268 A N -0.419 122.406 122.820 0.009 0.000 1.877 268 A HA -0.033 4.288 4.320 0.001 0.000 0.216 268 A C 2.123 179.705 177.584 -0.004 0.000 1.186 268 A CA 1.752 53.786 52.037 -0.005 0.000 0.620 268 A CB -0.652 18.335 19.000 -0.022 0.000 0.822 268 A HN 0.663 nan 8.150 nan 0.000 0.443 269 L N -0.075 121.149 121.223 0.002 0.000 2.046 269 L HA -0.104 4.237 4.340 0.001 0.000 0.208 269 L C 2.403 179.280 176.870 0.011 0.000 1.077 269 L CA 1.892 56.735 54.840 0.006 0.000 0.747 269 L CB -0.677 41.393 42.059 0.019 0.000 0.896 269 L HN 0.346 nan 8.230 nan 0.000 0.432 270 R N -0.736 119.774 120.500 0.017 0.000 2.120 270 R HA -0.090 4.251 4.340 0.001 0.000 0.234 270 R C 2.137 178.443 176.300 0.010 0.000 1.123 270 R CA 1.165 57.275 56.100 0.016 0.000 0.975 270 R CB -0.496 29.816 30.300 0.020 0.000 0.866 270 R HN 0.525 nan 8.270 nan 0.000 0.446 271 A N 0.458 123.283 122.820 0.007 0.000 2.014 271 A HA -0.100 4.221 4.320 0.001 0.000 0.218 271 A C 0.511 178.096 177.584 0.002 0.000 1.163 271 A CA 1.002 53.041 52.037 0.004 0.000 0.652 271 A CB 0.250 19.252 19.000 0.002 0.000 0.808 271 A HN 0.189 nan 8.150 nan 0.000 0.449 272 D N -1.149 119.251 120.400 0.000 0.000 2.472 272 D HA 0.254 4.895 4.640 0.001 0.000 0.248 272 D C 0.557 176.857 176.300 0.000 0.000 1.271 272 D CA -0.399 53.600 54.000 -0.001 0.000 0.888 272 D CB 0.092 40.888 40.800 -0.006 0.000 1.337 272 D HN -0.016 nan 8.370 nan 0.000 0.526 273 M N 0.994 120.597 119.600 0.004 0.000 2.706 273 M HA -0.048 4.433 4.480 0.001 0.000 0.251 273 M C 1.657 177.961 176.300 0.007 0.000 1.070 273 M CA 0.820 56.124 55.300 0.007 0.000 1.073 273 M CB -1.257 31.348 32.600 0.009 0.000 1.449 273 M HN 0.455 nan 8.290 nan 0.000 0.531 274 T N -3.029 111.527 114.554 0.004 0.000 3.118 274 T HA 0.044 4.395 4.350 0.001 0.000 0.260 274 T C 1.557 176.259 174.700 0.003 0.000 1.139 274 T CA 0.410 62.513 62.100 0.005 0.000 1.085 274 T CB -0.320 68.550 68.868 0.002 0.000 0.934 274 T HN 0.409 nan 8.240 nan 0.000 0.518 275 L N 0.454 121.676 121.223 -0.001 0.000 2.591 275 L HA 0.281 4.621 4.340 0.001 0.000 0.228 275 L C 2.347 179.215 176.870 -0.002 0.000 1.133 275 L CA -0.163 54.672 54.840 -0.009 0.000 0.880 275 L CB -0.395 41.651 42.059 -0.022 0.000 1.033 275 L HN 0.230 nan 8.230 nan 0.000 0.450 276 L N 0.683 121.913 121.223 0.011 0.000 1.971 276 L HA -0.257 4.084 4.340 0.001 0.000 0.215 276 L C 1.965 178.855 176.870 0.033 0.000 1.072 276 L CA 2.189 57.043 54.840 0.024 0.000 0.758 276 L CB -0.552 41.523 42.059 0.027 0.000 0.889 276 L HN 0.343 nan 8.230 nan 0.000 0.433 277 D N -0.160 120.262 120.400 0.036 0.000 2.123 277 D HA -0.158 4.483 4.640 0.001 0.000 0.196 277 D C 2.047 178.378 176.300 0.052 0.000 0.992 277 D CA 1.499 55.531 54.000 0.053 0.000 0.833 277 D CB -0.439 40.392 40.800 0.053 0.000 0.954 277 D HN 0.532 nan 8.370 nan 0.000 0.455 278 G N 0.484 109.300 108.800 0.027 0.000 2.422 278 G HA2 -0.090 3.871 3.960 0.001 0.000 0.218 278 G HA3 -0.090 3.871 3.960 0.001 0.000 0.218 278 G C 1.687 176.576 174.900 -0.019 0.000 1.140 278 G CA 0.954 46.060 45.100 0.010 0.000 0.775 278 G HN 0.400 nan 8.290 nan 0.000 0.545 279 A N 0.220 123.028 122.820 -0.020 0.000 1.930 279 A HA 0.133 4.454 4.320 0.001 0.000 0.217 279 A C 2.547 180.155 177.584 0.040 0.000 1.175 279 A CA 1.570 53.586 52.037 -0.035 0.000 0.627 279 A CB -0.496 18.505 19.000 0.002 0.000 0.815 279 A HN 0.218 nan 8.150 nan 0.000 0.443 280 V N 0.377 120.330 119.914 0.066 0.000 2.427 280 V HA -0.191 3.929 4.120 0.001 0.000 0.248 280 V C 2.523 178.663 176.094 0.076 0.000 1.051 280 V CA 2.020 64.375 62.300 0.092 0.000 1.048 280 V CB -0.658 31.227 31.823 0.102 0.000 0.666 280 V HN 0.499 nan 8.190 nan 0.000 0.456 281 E N 0.071 120.316 120.200 0.074 0.000 2.077 281 E HA -0.240 4.111 4.350 0.001 0.000 0.193 281 E C 2.207 178.782 176.600 -0.041 0.000 0.989 281 E CA 1.412 57.856 56.400 0.073 0.000 0.800 281 E CB -0.190 29.597 29.700 0.146 0.000 0.746 281 E HN 0.688 nan 8.360 nan 0.000 0.452 282 E N 0.603 120.780 120.200 -0.038 0.000 2.150 282 E HA -0.090 4.261 4.350 0.001 0.000 0.193 282 E C 2.023 178.688 176.600 0.108 0.000 0.985 282 E CA 0.905 57.259 56.400 -0.076 0.000 0.814 282 E CB -0.139 29.389 29.700 -0.286 0.000 0.752 282 E HN 0.192 nan 8.360 nan 0.000 0.466 283 M N -0.351 119.368 119.600 0.198 0.000 2.117 283 M HA -0.125 4.356 4.480 0.001 0.000 0.262 283 M C 2.139 178.479 176.300 0.065 0.000 1.065 283 M CA 1.234 56.688 55.300 0.257 0.000 1.114 283 M CB -0.251 32.464 32.600 0.191 0.000 1.361 283 M HN 0.164 nan 8.290 nan 0.000 0.408 284 L N -0.605 120.562 121.223 -0.094 0.000 2.017 284 L HA -0.205 4.136 4.340 0.001 0.000 0.208 284 L C 2.859 179.477 176.870 -0.419 0.000 1.073 284 L CA 1.212 55.874 54.840 -0.297 0.000 0.745 284 L CB -0.650 41.110 42.059 -0.498 0.000 0.894 284 L HN 0.317 nan 8.230 nan 0.000 0.432 285 R N -0.538 119.651 120.500 -0.518 0.000 2.062 285 R HA -0.227 4.114 4.340 0.001 0.000 0.231 285 R C 2.432 178.560 176.300 -0.286 0.000 1.136 285 R CA 1.894 57.584 56.100 -0.682 0.000 0.948 285 R CB -0.606 29.331 30.300 -0.605 0.000 0.845 285 R HN 0.269 nan 8.270 nan 0.000 0.430 286 Y N 0.896 121.086 120.300 -0.185 0.000 2.163 286 Y HA -0.049 4.502 4.550 0.001 0.000 0.288 286 Y C 0.633 176.524 175.900 -0.015 0.000 1.136 286 Y CA 1.405 59.464 58.100 -0.068 0.000 1.147 286 Y CB 0.432 38.969 38.460 0.129 0.000 0.987 286 Y HN 0.038 nan 8.280 nan 0.000 0.509 287 E N 0.559 120.761 120.200 0.004 0.000 4.170 287 E HA 0.238 4.588 4.350 0.001 0.000 0.215 287 E C -0.148 176.490 176.600 0.063 0.000 1.119 287 E CA 0.024 56.420 56.400 -0.007 0.000 1.396 287 E CB 0.235 29.973 29.700 0.064 0.000 1.182 287 E HN 0.394 nan 8.360 nan 0.000 0.438 288 G N 2.442 111.263 108.800 0.035 0.000 2.484 288 G HA2 0.070 4.030 3.960 0.001 0.000 0.235 288 G HA3 0.070 4.030 3.960 0.001 0.000 0.235 288 G C -1.042 173.885 174.900 0.044 0.000 1.282 288 G CA -0.672 44.430 45.100 0.002 0.000 0.857 288 G HN 0.026 nan 8.290 nan 0.000 0.571 289 P HA -0.071 nan 4.420 nan 0.000 0.221 289 P C 0.547 177.883 177.300 0.061 0.000 1.150 289 P CA 0.577 63.718 63.100 0.070 0.000 0.800 289 P CB 0.236 31.970 31.700 0.058 0.000 0.787 290 V N 2.044 121.971 119.914 0.023 0.000 2.304 290 V HA 0.118 4.239 4.120 0.001 0.000 0.262 290 V C 1.915 178.011 176.094 0.003 0.000 1.061 290 V CA 0.044 62.353 62.300 0.016 0.000 0.872 290 V CB 0.177 31.996 31.823 -0.005 0.000 1.077 290 V HN 0.051 nan 8.190 nan 0.000 0.480 291 E N 2.846 123.055 120.200 0.015 0.000 2.072 291 E HA -0.074 4.277 4.350 0.001 0.000 0.191 291 E C 0.448 177.005 176.600 -0.072 0.000 0.985 291 E CA 0.905 57.295 56.400 -0.017 0.000 0.801 291 E CB 0.325 30.034 29.700 0.015 0.000 0.750 291 E HN 0.669 nan 8.360 nan 0.000 0.452 292 S N -0.617 115.060 115.700 -0.038 0.000 2.547 292 S HA 0.598 5.069 4.470 0.001 0.000 0.281 292 S C -0.687 173.898 174.600 -0.026 0.000 1.118 292 S CA -0.610 57.552 58.200 -0.063 0.000 0.947 292 S CB 1.872 65.048 63.200 -0.041 0.000 1.053 292 S HN 0.409 nan 8.310 nan 0.000 0.482 293 A N 2.193 124.983 122.820 -0.050 0.000 2.387 293 A HA 0.544 4.864 4.320 0.001 0.000 0.251 293 A C 0.948 178.531 177.584 -0.002 0.000 1.113 293 A CA -0.075 51.940 52.037 -0.036 0.000 0.794 293 A CB -0.462 18.499 19.000 -0.064 0.000 1.069 293 A HN 0.900 nan 8.150 nan 0.000 0.506 294 T N -1.870 112.676 114.554 -0.013 0.000 2.813 294 T HA 0.371 4.721 4.350 0.001 0.000 0.297 294 T C -0.111 174.611 174.700 0.037 0.000 1.036 294 T CA -0.293 61.822 62.100 0.025 0.000 1.044 294 T CB -0.040 68.810 68.868 -0.029 0.000 0.993 294 T HN 0.317 nan 8.240 nan 0.000 0.535 295 Y N 1.419 121.598 120.300 -0.201 0.000 2.944 295 Y HA 0.141 4.692 4.550 0.001 0.000 0.340 295 Y C 1.346 176.740 175.900 -0.843 0.000 1.275 295 Y CA 0.035 57.860 58.100 -0.459 0.000 1.590 295 Y CB -0.325 37.881 38.460 -0.424 0.000 1.218 295 Y HN 0.525 nan 8.280 nan 0.000 0.576 296 R N 3.368 123.414 120.500 -0.757 0.000 2.686 296 R HA 0.598 4.939 4.340 0.001 0.000 0.286 296 R C -1.676 174.142 176.300 -0.802 0.000 0.969 296 R CA -0.867 54.810 56.100 -0.704 0.000 0.898 296 R CB 1.560 31.726 30.300 -0.223 0.000 1.183 296 R HN 0.446 nan 8.270 nan 0.000 0.456 297 F N 2.865 122.774 119.950 -0.068 0.000 2.499 297 F HA 0.359 4.887 4.527 0.002 0.000 0.333 297 F C -1.991 173.686 175.800 -0.204 0.000 1.138 297 F CA -2.555 55.357 58.000 -0.146 0.000 0.945 297 F CB 1.793 40.666 39.000 -0.213 0.000 1.181 297 F HN 0.224 nan 8.300 nan 0.000 0.435 298 P HA 0.024 nan 4.420 nan 0.000 0.267 298 P C 0.779 177.923 177.300 -0.259 0.000 1.209 298 P CA 0.106 62.895 63.100 -0.518 0.000 0.763 298 P CB 1.826 33.095 31.700 -0.718 0.000 0.816 299 V N 2.038 121.818 119.914 -0.223 0.000 2.295 299 V HA -0.170 3.951 4.120 0.001 0.000 0.246 299 V C 1.513 177.526 176.094 -0.134 0.000 1.049 299 V CA 2.684 64.908 62.300 -0.126 0.000 1.024 299 V CB -1.325 30.442 31.823 -0.093 0.000 0.648 299 V HN 0.733 nan 8.190 nan 0.000 0.447 300 E N -0.514 119.581 120.200 -0.175 0.000 2.320 300 E HA 0.612 4.963 4.350 0.001 0.000 0.264 300 E C -2.874 173.608 176.600 -0.196 0.000 0.923 300 E CA -2.483 53.829 56.400 -0.148 0.000 0.796 300 E CB 0.777 30.408 29.700 -0.115 0.000 1.262 300 E HN 0.212 nan 8.360 nan 0.000 0.428 301 P HA 0.167 nan 4.420 nan 0.000 0.263 301 P C -0.775 176.403 177.300 -0.203 0.000 1.175 301 P CA -0.019 62.976 63.100 -0.175 0.000 0.761 301 P CB 0.676 32.307 31.700 -0.115 0.000 0.794 302 V N 3.733 123.491 119.914 -0.259 0.000 2.555 302 V HA 0.275 4.395 4.120 0.001 0.000 0.302 302 V C -0.035 175.966 176.094 -0.155 0.000 1.038 302 V CA -0.353 61.816 62.300 -0.220 0.000 0.887 302 V CB 2.014 33.646 31.823 -0.318 0.000 0.991 302 V HN 0.475 nan 8.190 nan 0.000 0.434 303 D N 4.822 125.168 120.400 -0.091 0.000 2.373 303 D HA 0.366 5.007 4.640 0.001 0.000 0.227 303 D C -0.844 175.431 176.300 -0.041 0.000 1.091 303 D CA -0.188 53.770 54.000 -0.070 0.000 0.840 303 D CB 1.181 41.952 40.800 -0.049 0.000 1.060 303 D HN 0.381 nan 8.370 nan 0.000 0.502 304 L N 3.832 125.024 121.223 -0.053 0.000 2.277 304 L HA 0.184 4.525 4.340 0.001 0.000 0.284 304 L C 0.443 177.293 176.870 -0.033 0.000 1.028 304 L CA -0.707 54.112 54.840 -0.036 0.000 0.835 304 L CB 1.072 43.100 42.059 -0.051 0.000 1.215 304 L HN 0.448 nan 8.230 nan 0.000 0.425 305 D N 3.356 123.745 120.400 -0.018 0.000 2.692 305 D HA -0.220 4.421 4.640 0.001 0.000 0.233 305 D C 1.096 177.392 176.300 -0.007 0.000 1.172 305 D CA 1.497 55.492 54.000 -0.009 0.000 0.636 305 D CB -0.492 40.306 40.800 -0.004 0.000 1.028 305 D HN 1.024 nan 8.370 nan 0.000 0.419 306 G N -1.614 107.180 108.800 -0.011 0.000 2.254 306 G HA2 -0.242 3.718 3.960 0.001 0.000 0.225 306 G HA3 -0.242 3.718 3.960 0.001 0.000 0.225 306 G C 0.504 175.400 174.900 -0.007 0.000 1.003 306 G CA 0.211 45.308 45.100 -0.005 0.000 0.622 306 G HN 0.674 nan 8.290 nan 0.000 0.507 307 T N 1.497 116.038 114.554 -0.021 0.000 2.767 307 T HA 0.558 4.908 4.350 0.001 0.000 0.288 307 T C 0.051 174.700 174.700 -0.085 0.000 0.963 307 T CA -0.180 61.908 62.100 -0.020 0.000 1.019 307 T CB 2.404 71.266 68.868 -0.010 0.000 0.923 307 T HN 0.509 nan 8.240 nan 0.000 0.468 308 V N 5.498 125.364 119.914 -0.079 0.000 2.328 308 V HA 0.373 4.494 4.120 0.001 0.000 0.278 308 V C 0.170 176.096 176.094 -0.280 0.000 1.021 308 V CA -0.757 61.455 62.300 -0.146 0.000 0.838 308 V CB 0.706 32.484 31.823 -0.074 0.000 0.999 308 V HN 0.797 nan 8.190 nan 0.000 0.447 309 I N 8.498 128.767 120.570 -0.502 0.000 2.312 309 I HA 0.288 4.458 4.170 0.001 0.000 0.291 309 I C -1.841 174.039 176.117 -0.395 0.000 1.031 309 I CA -1.815 58.992 61.300 -0.821 0.000 1.293 309 I CB 1.489 38.827 38.000 -1.104 0.000 1.403 309 I HN 0.397 nan 8.210 nan 0.000 0.484 310 P HA 0.028 nan 4.420 nan 0.000 0.269 310 P C -0.391 176.835 177.300 -0.124 0.000 1.215 310 P CA -0.320 62.725 63.100 -0.092 0.000 0.780 310 P CB 0.700 32.412 31.700 0.021 0.000 0.898 311 A N 1.878 124.628 122.820 -0.115 0.000 2.520 311 A HA 0.421 4.742 4.320 0.001 0.000 0.245 311 A C 1.505 179.045 177.584 -0.073 0.000 1.072 311 A CA 0.802 52.767 52.037 -0.121 0.000 0.761 311 A CB -1.369 17.567 19.000 -0.106 0.000 1.004 311 A HN 0.886 nan 8.150 nan 0.000 0.499 312 G N 2.146 110.908 108.800 -0.064 0.000 2.213 312 G HA2 -0.193 3.767 3.960 0.001 0.000 0.236 312 G HA3 -0.193 3.767 3.960 0.001 0.000 0.236 312 G C 0.019 174.923 174.900 0.006 0.000 0.991 312 G CA 0.350 45.417 45.100 -0.055 0.000 0.629 312 G HN 0.827 nan 8.290 nan 0.000 0.517 313 D N 1.200 121.633 120.400 0.055 0.000 2.357 313 D HA 0.515 5.155 4.640 0.001 0.000 0.242 313 D C 0.712 177.135 176.300 0.205 0.000 1.153 313 D CA 0.692 54.789 54.000 0.161 0.000 0.918 313 D CB 0.664 41.633 40.800 0.281 0.000 1.181 313 D HN 0.083 nan 8.370 nan 0.000 0.435 314 T N 0.740 115.406 114.554 0.188 0.000 2.817 314 T HA 0.436 4.787 4.350 0.001 0.000 0.293 314 T C -0.302 174.402 174.700 0.005 0.000 0.964 314 T CA -0.533 61.562 62.100 -0.010 0.000 1.085 314 T CB 0.711 69.390 68.868 -0.315 0.000 0.921 314 T HN -0.024 nan 8.240 nan 0.000 0.502 315 V N 5.292 125.128 119.914 -0.130 0.000 2.487 315 V HA 0.449 4.570 4.120 0.001 0.000 0.298 315 V C -0.388 175.629 176.094 -0.128 0.000 1.028 315 V CA -0.853 61.427 62.300 -0.033 0.000 0.860 315 V CB 1.582 33.426 31.823 0.034 0.000 0.991 315 V HN 0.726 nan 8.190 nan 0.000 0.427 316 L N 5.101 126.283 121.223 -0.068 0.000 2.298 316 L HA 0.551 4.892 4.340 0.001 0.000 0.284 316 L C -0.429 176.384 176.870 -0.095 0.000 1.013 316 L CA -0.818 53.979 54.840 -0.072 0.000 0.824 316 L CB 1.925 43.969 42.059 -0.026 0.000 1.221 316 L HN 0.355 nan 8.230 nan 0.000 0.418 317 V N 4.567 124.402 119.914 -0.131 0.000 2.389 317 V HA 0.059 4.180 4.120 0.001 0.000 0.264 317 V C 0.551 176.545 176.094 -0.167 0.000 1.049 317 V CA -0.467 61.736 62.300 -0.161 0.000 0.932 317 V CB 1.433 33.146 31.823 -0.183 0.000 1.011 317 V HN 0.449 nan 8.190 nan 0.000 0.475 318 V N 7.684 127.473 119.914 -0.210 0.000 2.242 318 V HA 0.043 4.164 4.120 0.001 0.000 0.242 318 V C 1.535 177.468 176.094 -0.268 0.000 1.240 318 V CA 0.191 62.304 62.300 -0.311 0.000 1.211 318 V CB -0.552 30.942 31.823 -0.548 0.000 1.338 318 V HN 0.771 nan 8.190 nan 0.000 0.499 319 L N 2.988 124.069 121.223 -0.236 0.000 2.043 319 L HA -0.228 4.113 4.340 0.001 0.000 0.212 319 L C 2.715 179.365 176.870 -0.366 0.000 1.075 319 L CA 1.827 56.475 54.840 -0.319 0.000 0.752 319 L CB -0.663 41.244 42.059 -0.254 0.000 0.891 319 L HN 0.660 nan 8.230 nan 0.000 0.432 320 A N 0.153 122.863 122.820 -0.182 0.000 1.948 320 A HA -0.332 3.989 4.320 0.001 0.000 0.220 320 A C 1.986 179.660 177.584 0.150 0.000 1.177 320 A CA 2.448 54.502 52.037 0.028 0.000 0.636 320 A CB -0.711 18.296 19.000 0.011 0.000 0.815 320 A HN 0.518 nan 8.150 nan 0.000 0.449 321 D N -1.034 119.373 120.400 0.011 0.000 2.194 321 D HA 0.135 4.776 4.640 0.001 0.000 0.204 321 D C 1.992 178.371 176.300 0.133 0.000 0.964 321 D CA 1.092 55.170 54.000 0.131 0.000 0.846 321 D CB -0.154 40.667 40.800 0.035 0.000 0.962 321 D HN 0.337 nan 8.370 nan 0.000 0.490 322 A N -0.424 122.418 122.820 0.036 0.000 1.933 322 A HA -0.190 4.131 4.320 0.001 0.000 0.218 322 A C 1.721 179.549 177.584 0.406 0.000 1.175 322 A CA 1.432 53.581 52.037 0.187 0.000 0.628 322 A CB -1.011 18.007 19.000 0.030 0.000 0.814 322 A HN 0.499 nan 8.150 nan 0.000 0.444 323 H N -1.773 117.400 119.070 0.171 0.000 2.555 323 H HA 0.107 4.663 4.556 0.001 0.000 0.269 323 H C 1.002 176.250 175.328 -0.132 0.000 0.988 323 H CA 0.041 56.001 56.048 -0.146 0.000 1.178 323 H CB 0.354 29.971 29.762 -0.240 0.000 1.373 323 H HN 0.168 nan 8.280 nan 0.000 0.588 324 R N 0.471 121.083 120.500 0.187 0.000 2.546 324 R HA 0.132 4.472 4.340 0.001 0.000 0.320 324 R C -0.158 176.229 176.300 0.146 0.000 1.021 324 R CA -0.014 56.148 56.100 0.104 0.000 1.088 324 R CB 0.125 30.505 30.300 0.133 0.000 1.278 324 R HN 0.025 nan 8.270 nan 0.000 0.557 325 T N 3.023 117.739 114.554 0.269 0.000 2.738 325 T HA 0.141 4.492 4.350 0.001 0.000 0.294 325 T C -1.715 173.068 174.700 0.139 0.000 0.914 325 T CA -1.273 60.950 62.100 0.204 0.000 1.052 325 T CB 1.587 70.603 68.868 0.246 0.000 0.897 325 T HN -0.063 nan 8.240 nan 0.000 0.522 326 P HA -0.158 nan 4.420 nan 0.000 0.216 326 P C 1.321 178.600 177.300 -0.035 0.000 1.154 326 P CA 1.034 64.140 63.100 0.010 0.000 0.865 326 P CB 0.238 31.939 31.700 0.001 0.000 0.789 327 E N -1.190 118.983 120.200 -0.045 0.000 2.130 327 E HA -0.185 4.166 4.350 0.001 0.000 0.196 327 E C 2.022 178.487 176.600 -0.226 0.000 0.998 327 E CA 1.191 57.533 56.400 -0.096 0.000 0.806 327 E CB -0.364 29.300 29.700 -0.059 0.000 0.738 327 E HN 0.128 nan 8.360 nan 0.000 0.459 328 R N -1.106 119.175 120.500 -0.365 0.000 2.225 328 R HA 0.194 4.535 4.340 0.001 0.000 0.194 328 R C -0.118 175.563 176.300 -1.032 0.000 0.957 328 R CA 0.302 55.902 56.100 -0.834 0.000 1.042 328 R CB 0.413 29.870 30.300 -1.405 0.000 1.004 328 R HN 0.154 nan 8.270 nan 0.000 0.509 329 F N 1.579 121.447 119.950 -0.137 0.000 2.676 329 F HA 0.399 4.927 4.527 0.001 0.000 0.371 329 F C -2.276 173.472 175.800 -0.087 0.000 1.141 329 F CA -2.658 55.283 58.000 -0.098 0.000 1.133 329 F CB 1.686 40.646 39.000 -0.067 0.000 1.376 329 F HN -0.274 nan 8.300 nan 0.000 0.491 330 P HA -0.011 nan 4.420 nan 0.000 0.265 330 P C 0.056 177.359 177.300 0.005 0.000 1.193 330 P CA 0.547 63.645 63.100 -0.003 0.000 0.765 330 P CB 0.483 32.169 31.700 -0.024 0.000 0.823 331 D N 3.607 123.997 120.400 -0.017 0.000 2.737 331 D HA -0.138 4.503 4.640 0.001 0.000 0.238 331 D C -1.490 174.785 176.300 -0.042 0.000 1.157 331 D CA 0.150 54.136 54.000 -0.023 0.000 0.694 331 D CB -0.841 39.959 40.800 -0.001 0.000 1.021 331 D HN 0.221 nan 8.370 nan 0.000 0.420 332 P HA -0.161 nan 4.420 nan 0.000 0.217 332 P C 1.085 178.317 177.300 -0.114 0.000 1.148 332 P CA 1.162 64.177 63.100 -0.140 0.000 0.828 332 P CB -0.015 31.534 31.700 -0.252 0.000 0.783 333 H N -1.816 117.294 119.070 0.067 0.000 2.556 333 H HA 0.108 4.665 4.556 0.001 0.000 0.268 333 H C 0.912 176.339 175.328 0.165 0.000 0.996 333 H CA 0.474 56.582 56.048 0.100 0.000 1.157 333 H CB -0.258 29.537 29.762 0.056 0.000 1.355 333 H HN 0.008 nan 8.280 nan 0.000 0.597 334 R N 0.841 121.427 120.500 0.143 0.000 2.265 334 R HA 0.118 4.458 4.340 0.001 0.000 0.319 334 R C -1.274 174.939 176.300 -0.145 0.000 1.006 334 R CA -0.771 55.350 56.100 0.035 0.000 0.880 334 R CB -0.328 29.978 30.300 0.011 0.000 1.077 334 R HN -0.090 nan 8.270 nan 0.000 0.454 335 F N 4.758 124.334 119.950 -0.623 0.000 2.434 335 F HA 0.276 4.803 4.527 -0.000 0.000 0.358 335 F C -0.651 174.850 175.800 -0.498 0.000 1.136 335 F CA -0.550 56.868 58.000 -0.971 0.000 1.157 335 F CB 0.465 38.397 39.000 -1.780 0.000 1.167 335 F HN 0.467 nan 8.300 nan 0.000 0.539 336 D N 7.265 127.238 120.400 -0.711 0.000 2.440 336 D HA 0.121 4.762 4.640 0.001 0.000 0.252 336 D C 1.231 177.185 176.300 -0.575 0.000 1.180 336 D CA -0.373 53.312 54.000 -0.525 0.000 0.894 336 D CB 0.657 41.301 40.800 -0.261 0.000 1.111 336 D HN 0.652 nan 8.370 nan 0.000 0.544 337 I N 0.607 120.788 120.570 -0.648 0.000 2.800 337 I HA -0.086 4.085 4.170 0.001 0.000 0.266 337 I C 1.260 177.236 176.117 -0.235 0.000 1.249 337 I CA 0.744 61.772 61.300 -0.455 0.000 1.458 337 I CB 0.071 37.867 38.000 -0.339 0.000 1.093 337 I HN 0.034 nan 8.210 nan 0.000 0.466 338 R N 1.044 121.428 120.500 -0.194 0.000 2.362 338 R HA 0.240 4.581 4.340 0.001 0.000 0.227 338 R C 0.890 177.137 176.300 -0.088 0.000 0.905 338 R CA -0.407 55.625 56.100 -0.112 0.000 1.067 338 R CB 0.113 30.360 30.300 -0.089 0.000 1.078 338 R HN 0.376 nan 8.270 nan 0.000 0.516 339 R N 1.694 122.127 120.500 -0.111 0.000 2.734 339 R HA -0.064 4.276 4.340 0.001 0.000 0.266 339 R C -0.544 175.750 176.300 -0.011 0.000 1.044 339 R CA 0.139 56.203 56.100 -0.060 0.000 1.128 339 R CB 0.447 30.705 30.300 -0.069 0.000 1.010 339 R HN -0.175 nan 8.270 nan 0.000 0.461 340 D N 1.752 122.162 120.400 0.017 0.000 2.339 340 D HA 0.027 4.668 4.640 0.001 0.000 0.241 340 D C 0.237 176.606 176.300 0.115 0.000 1.183 340 D CA -0.077 53.945 54.000 0.037 0.000 0.859 340 D CB 1.236 42.038 40.800 0.003 0.000 1.067 340 D HN 0.619 nan 8.370 nan 0.000 0.484 341 T N 0.646 115.292 114.554 0.153 0.000 3.085 341 T HA 0.414 4.765 4.350 0.001 0.000 0.264 341 T C 0.856 175.729 174.700 0.289 0.000 1.019 341 T CA -0.190 62.088 62.100 0.298 0.000 0.910 341 T CB 0.081 69.104 68.868 0.258 0.000 1.059 341 T HN 0.409 nan 8.240 nan 0.000 0.542 342 A N 0.980 123.888 122.820 0.146 0.000 2.580 342 A HA 0.459 4.780 4.320 0.001 0.000 0.244 342 A C 1.731 179.371 177.584 0.094 0.000 1.045 342 A CA 0.557 52.645 52.037 0.084 0.000 0.761 342 A CB -1.233 17.789 19.000 0.038 0.000 0.962 342 A HN 1.664 nan 8.150 nan 0.000 0.512 343 G N 2.071 110.908 108.800 0.061 0.000 2.143 343 G HA2 -0.252 3.708 3.960 0.001 0.000 0.249 343 G HA3 -0.252 3.708 3.960 0.001 0.000 0.249 343 G C 0.277 175.358 174.900 0.301 0.000 0.981 343 G CA 0.504 45.683 45.100 0.132 0.000 0.665 343 G HN 1.883 nan 8.290 nan 0.000 0.528 344 H N -0.833 118.479 119.070 0.404 0.000 2.801 344 H HA 0.410 4.967 4.556 0.001 0.000 0.377 344 H C 0.939 176.567 175.328 0.500 0.000 1.304 344 H CA 0.220 56.552 56.048 0.474 0.000 1.451 344 H CB 0.655 30.422 29.762 0.008 0.000 1.474 344 H HN 0.184 nan 8.280 nan 0.000 0.620 345 L N 1.028 122.852 121.223 1.002 0.000 2.965 345 L HA 0.250 4.591 4.340 0.001 0.000 0.254 345 L C 2.147 179.302 176.870 0.475 0.000 1.220 345 L CA 0.109 55.294 54.840 0.575 0.000 1.023 345 L CB 0.171 42.367 42.059 0.229 0.000 1.355 345 L HN 0.742 nan 8.230 nan 0.000 0.545 346 A N 0.328 123.513 122.820 0.607 0.000 1.978 346 A HA -0.112 4.209 4.320 0.001 0.000 0.220 346 A C 1.690 179.182 177.584 -0.152 0.000 1.170 346 A CA 1.577 53.682 52.037 0.114 0.000 0.636 346 A CB -0.491 18.296 19.000 -0.355 0.000 0.810 346 A HN 0.471 nan 8.150 nan 0.000 0.448 347 F N -0.905 119.110 119.950 0.109 0.000 2.664 347 F HA 0.415 4.943 4.527 0.002 0.000 0.303 347 F C 1.516 177.110 175.800 -0.342 0.000 1.092 347 F CA 0.429 58.274 58.000 -0.259 0.000 1.305 347 F CB 0.290 38.892 39.000 -0.664 0.000 1.054 347 F HN 0.498 nan 8.300 nan 0.000 0.565 348 G N 0.464 109.325 108.800 0.102 0.000 2.587 348 G HA2 -0.129 3.832 3.960 0.001 0.000 0.212 348 G HA3 -0.129 3.832 3.960 0.001 0.000 0.212 348 G C -1.525 173.605 174.900 0.384 0.000 1.327 348 G CA -0.610 44.583 45.100 0.155 0.000 0.898 348 G HN 0.490 nan 8.290 nan 0.000 0.551 349 H N -0.779 118.433 119.070 0.237 0.000 3.123 349 H HA 0.681 5.238 4.556 0.002 0.000 0.346 349 H C 0.447 175.877 175.328 0.172 0.000 1.138 349 H CA 1.917 58.116 56.048 0.252 0.000 1.273 349 H CB 1.127 30.959 29.762 0.116 0.000 1.926 349 H HN 2.682 nan 8.280 nan 0.000 0.524 350 G N 2.616 111.181 108.800 -0.390 0.000 2.512 350 G HA2 -0.217 3.744 3.960 0.001 0.000 0.210 350 G HA3 -0.217 3.744 3.960 0.001 0.000 0.210 350 G C 1.235 176.074 174.900 -0.103 0.000 1.295 350 G CA 0.031 44.945 45.100 -0.310 0.000 0.934 350 G HN 1.285 nan 8.290 nan 0.000 0.554 351 I N -2.367 118.106 120.570 -0.161 0.000 2.454 351 I HA -0.018 4.153 4.170 0.001 0.000 0.254 351 I C 1.768 177.745 176.117 -0.233 0.000 1.156 351 I CA 2.087 63.263 61.300 -0.207 0.000 1.433 351 I CB -0.313 37.451 38.000 -0.393 0.000 1.082 351 I HN 0.481 nan 8.210 nan 0.000 0.432 352 H N 0.793 119.843 119.070 -0.033 0.000 2.539 352 H HA 0.149 4.705 4.556 0.001 0.000 0.267 352 H C 0.132 175.539 175.328 0.131 0.000 0.982 352 H CA -0.405 55.666 56.048 0.039 0.000 1.146 352 H CB -0.349 29.391 29.762 -0.036 0.000 1.382 352 H HN 0.384 nan 8.280 nan 0.000 0.577 353 F N 2.282 122.294 119.950 0.103 0.000 2.548 353 F HA -0.134 4.394 4.527 0.001 0.000 0.403 353 F C 0.933 176.800 175.800 0.111 0.000 1.004 353 F CA -0.392 57.680 58.000 0.119 0.000 1.177 353 F CB 0.192 39.235 39.000 0.072 0.000 0.974 353 F HN 0.149 nan 8.300 nan 0.000 0.541 354 C N 9.120 128.215 119.300 -0.343 0.000 1.912 354 C HA -0.150 4.311 4.460 0.001 0.000 0.414 354 C C 1.985 176.906 174.990 -0.113 0.000 1.545 354 C CA 0.219 59.111 59.018 -0.209 0.000 1.468 354 C CB -1.942 25.690 27.740 -0.180 0.000 2.697 354 C HN 0.994 nan 8.230 nan 0.000 0.597 355 I N 4.730 125.274 120.570 -0.043 0.000 2.830 355 I HA 0.067 4.238 4.170 0.001 0.000 0.263 355 I C 1.944 177.986 176.117 -0.125 0.000 1.230 355 I CA 1.641 62.914 61.300 -0.044 0.000 1.480 355 I CB -0.112 37.818 38.000 -0.115 0.000 1.095 355 I HN 0.902 nan 8.210 nan 0.000 0.455 356 G N -0.425 108.264 108.800 -0.184 0.000 3.284 356 G HA2 0.188 4.149 3.960 0.001 0.000 0.236 356 G HA3 0.188 4.149 3.960 0.001 0.000 0.236 356 G C 1.475 176.297 174.900 -0.131 0.000 1.158 356 G CA 0.454 45.477 45.100 -0.128 0.000 0.774 356 G HN 0.455 nan 8.290 nan 0.000 0.545 357 A N 2.060 124.669 122.820 -0.352 0.000 1.883 357 A HA 0.010 4.331 4.320 0.001 0.000 0.217 357 A C 0.623 178.011 177.584 -0.327 0.000 1.186 357 A CA 1.691 53.224 52.037 -0.839 0.000 0.624 357 A CB -1.006 17.278 19.000 -1.194 0.000 0.822 357 A HN 0.340 nan 8.150 nan 0.000 0.444 358 P HA -0.137 nan 4.420 nan 0.000 0.215 358 P C 1.662 178.987 177.300 0.041 0.000 1.153 358 P CA 0.934 64.032 63.100 -0.003 0.000 0.853 358 P CB -0.059 31.666 31.700 0.041 0.000 0.788 359 L N -0.422 120.846 121.223 0.074 0.000 2.056 359 L HA -0.042 4.299 4.340 0.001 0.000 0.207 359 L C 2.191 179.121 176.870 0.099 0.000 1.078 359 L CA 1.935 56.838 54.840 0.106 0.000 0.749 359 L CB -1.569 40.598 42.059 0.180 0.000 0.901 359 L HN -0.134 nan 8.230 nan 0.000 0.433 360 A N -0.285 122.599 122.820 0.107 0.000 1.877 360 A HA -0.238 4.083 4.320 0.001 0.000 0.216 360 A C 2.439 180.135 177.584 0.186 0.000 1.186 360 A CA 1.920 54.061 52.037 0.173 0.000 0.620 360 A CB -0.572 18.612 19.000 0.306 0.000 0.822 360 A HN 0.492 nan 8.150 nan 0.000 0.443 361 R N -1.220 119.395 120.500 0.191 0.000 2.096 361 R HA -0.107 4.234 4.340 0.001 0.000 0.235 361 R C 2.130 178.503 176.300 0.121 0.000 1.127 361 R CA 1.402 57.613 56.100 0.186 0.000 0.968 361 R CB -0.519 29.888 30.300 0.178 0.000 0.861 361 R HN 0.512 nan 8.270 nan 0.000 0.440 362 L N 1.477 122.756 121.223 0.093 0.000 2.017 362 L HA -0.170 4.171 4.340 0.001 0.000 0.208 362 L C 1.770 178.678 176.870 0.063 0.000 1.073 362 L CA 1.864 56.744 54.840 0.068 0.000 0.745 362 L CB -0.297 41.794 42.059 0.054 0.000 0.894 362 L HN 0.127 nan 8.230 nan 0.000 0.432 363 E N -0.407 119.835 120.200 0.070 0.000 2.031 363 E HA -0.219 4.132 4.350 0.001 0.000 0.193 363 E C 2.178 178.816 176.600 0.063 0.000 0.994 363 E CA 1.176 57.610 56.400 0.057 0.000 0.800 363 E CB -0.375 29.360 29.700 0.059 0.000 0.752 363 E HN 0.658 nan 8.360 nan 0.000 0.447 364 A N 1.534 124.405 122.820 0.086 0.000 1.883 364 A HA -0.220 4.101 4.320 0.001 0.000 0.217 364 A C 2.086 179.715 177.584 0.076 0.000 1.186 364 A CA 1.507 53.596 52.037 0.087 0.000 0.624 364 A CB -0.456 18.612 19.000 0.113 0.000 0.822 364 A HN 0.084 nan 8.150 nan 0.000 0.444 365 R N -0.648 119.899 120.500 0.077 0.000 2.081 365 R HA -0.023 4.318 4.340 0.001 0.000 0.235 365 R C 2.002 178.330 176.300 0.046 0.000 1.131 365 R CA 1.591 57.729 56.100 0.064 0.000 0.960 365 R CB -0.453 29.886 30.300 0.064 0.000 0.856 365 R HN 0.578 nan 8.270 nan 0.000 0.436 366 I N 0.375 120.970 120.570 0.040 0.000 2.252 366 I HA -0.220 3.951 4.170 0.001 0.000 0.245 366 I C 2.568 178.698 176.117 0.021 0.000 1.102 366 I CA 1.038 62.354 61.300 0.026 0.000 1.385 366 I CB -0.364 37.648 38.000 0.020 0.000 1.064 366 I HN 0.198 nan 8.210 nan 0.000 0.414 367 A N 0.577 123.413 122.820 0.028 0.000 1.855 367 A HA -0.143 4.178 4.320 0.001 0.000 0.215 367 A C 2.419 180.018 177.584 0.025 0.000 1.191 367 A CA 1.677 53.728 52.037 0.024 0.000 0.613 367 A CB -0.996 18.024 19.000 0.033 0.000 0.829 367 A HN 0.204 nan 8.150 nan 0.000 0.442 368 V N 0.180 120.118 119.914 0.040 0.000 2.343 368 V HA -0.265 3.856 4.120 0.001 0.000 0.247 368 V C 2.676 178.788 176.094 0.030 0.000 1.051 368 V CA 2.355 64.681 62.300 0.043 0.000 1.036 368 V CB -0.845 31.014 31.823 0.060 0.000 0.654 368 V HN 0.671 nan 8.190 nan 0.000 0.451 369 R N 0.218 120.734 120.500 0.026 0.000 2.081 369 R HA -0.143 4.198 4.340 0.001 0.000 0.235 369 R C 2.274 178.577 176.300 0.004 0.000 1.131 369 R CA 1.604 57.715 56.100 0.017 0.000 0.960 369 R CB -0.418 29.893 30.300 0.017 0.000 0.856 369 R HN 0.482 nan 8.270 nan 0.000 0.436 370 A N 0.955 123.774 122.820 -0.002 0.000 1.933 370 A HA -0.102 4.218 4.320 0.001 0.000 0.218 370 A C 2.158 179.722 177.584 -0.033 0.000 1.175 370 A CA 1.099 53.124 52.037 -0.019 0.000 0.628 370 A CB -0.433 18.553 19.000 -0.022 0.000 0.814 370 A HN 0.340 nan 8.150 nan 0.000 0.444 371 L N -0.651 120.557 121.223 -0.024 0.000 2.056 371 L HA -0.147 4.194 4.340 0.001 0.000 0.207 371 L C 2.542 179.396 176.870 -0.025 0.000 1.078 371 L CA 0.948 55.766 54.840 -0.036 0.000 0.749 371 L CB -0.517 41.537 42.059 -0.009 0.000 0.901 371 L HN 0.370 nan 8.230 nan 0.000 0.433 372 L N -0.583 120.638 121.223 -0.003 0.000 2.027 372 L HA -0.162 4.179 4.340 0.001 0.000 0.206 372 L C 2.460 179.328 176.870 -0.004 0.000 1.074 372 L CA 1.325 56.168 54.840 0.006 0.000 0.745 372 L CB -0.551 41.519 42.059 0.019 0.000 0.898 372 L HN 0.304 nan 8.230 nan 0.000 0.433 373 E N 0.047 120.241 120.200 -0.010 0.000 2.208 373 E HA -0.134 4.217 4.350 0.001 0.000 0.193 373 E C 2.081 178.665 176.600 -0.026 0.000 0.988 373 E CA 0.667 57.060 56.400 -0.013 0.000 0.828 373 E CB 0.102 29.796 29.700 -0.011 0.000 0.763 373 E HN 0.465 nan 8.360 nan 0.000 0.478 374 R N -0.545 119.927 120.500 -0.047 0.000 2.308 374 R HA 0.182 4.522 4.340 0.001 0.000 0.202 374 R C 0.266 176.507 176.300 -0.099 0.000 0.898 374 R CA 0.083 56.139 56.100 -0.073 0.000 1.046 374 R CB 0.689 30.930 30.300 -0.097 0.000 1.026 374 R HN 0.002 nan 8.270 nan 0.000 0.512 375 C N 2.310 121.561 119.300 -0.082 0.000 3.003 375 C HA 0.269 4.730 4.460 0.001 0.000 0.241 375 C C -1.324 173.669 174.990 0.005 0.000 1.224 375 C CA -1.366 57.609 59.018 -0.072 0.000 1.560 375 C CB 1.195 28.865 27.740 -0.117 0.000 1.768 375 C HN 0.249 nan 8.230 nan 0.000 0.440 376 P HA -0.111 nan 4.420 nan 0.000 0.220 376 P C 0.504 177.838 177.300 0.057 0.000 1.148 376 P CA 1.609 64.729 63.100 0.033 0.000 0.803 376 P CB 0.353 32.069 31.700 0.027 0.000 0.782 377 D N -0.389 120.064 120.400 0.088 0.000 2.358 377 D HA 0.096 4.736 4.640 0.001 0.000 0.224 377 D C 0.711 177.104 176.300 0.155 0.000 1.123 377 D CA -0.399 53.669 54.000 0.113 0.000 0.833 377 D CB -0.124 40.752 40.800 0.127 0.000 0.946 377 D HN 0.128 nan 8.370 nan 0.000 0.505 378 L N 1.456 122.768 121.223 0.149 0.000 2.525 378 L HA 0.249 4.590 4.340 0.001 0.000 0.278 378 L C -0.161 176.790 176.870 0.134 0.000 1.218 378 L CA 0.313 55.261 54.840 0.179 0.000 0.878 378 L CB 0.327 42.456 42.059 0.117 0.000 1.127 378 L HN 0.030 nan 8.230 nan 0.000 0.492 379 A N 4.884 127.789 122.820 0.143 0.000 2.610 379 A HA 0.596 4.917 4.320 0.001 0.000 0.291 379 A C -1.232 176.404 177.584 0.087 0.000 1.086 379 A CA -0.844 51.247 52.037 0.090 0.000 0.677 379 A CB 0.624 19.662 19.000 0.062 0.000 1.278 379 A HN 0.662 nan 8.150 nan 0.000 0.414 380 L N 0.524 121.787 121.223 0.065 0.000 2.439 380 L HA 0.300 4.640 4.340 0.001 0.000 0.269 380 L C 0.053 176.949 176.870 0.044 0.000 1.179 380 L CA 0.124 55.007 54.840 0.072 0.000 0.828 380 L CB 0.757 42.867 42.059 0.086 0.000 1.106 380 L HN 0.873 nan 8.230 nan 0.000 0.467 381 D N 1.759 122.179 120.400 0.033 0.000 2.804 381 D HA 0.356 4.996 4.640 0.001 0.000 0.308 381 D C -0.976 175.322 176.300 -0.004 0.000 1.371 381 D CA 0.100 54.099 54.000 -0.001 0.000 0.823 381 D CB 0.685 41.467 40.800 -0.030 0.000 1.126 381 D HN 0.139 nan 8.370 nan 0.000 0.467 382 V N -0.107 119.816 119.914 0.015 0.000 3.225 382 V HA 0.601 4.722 4.120 0.001 0.000 0.293 382 V C -1.328 174.786 176.094 0.033 0.000 1.405 382 V CA -0.455 61.849 62.300 0.006 0.000 1.038 382 V CB 2.037 33.850 31.823 -0.016 0.000 1.123 382 V HN 0.208 nan 8.190 nan 0.000 0.447 383 S N 4.125 119.838 115.700 0.023 0.000 2.565 383 S HA 0.653 5.124 4.470 0.001 0.000 0.290 383 S C -2.075 172.559 174.600 0.058 0.000 1.150 383 S CA -1.087 57.139 58.200 0.044 0.000 1.058 383 S CB 1.573 64.789 63.200 0.026 0.000 1.032 383 S HN 0.614 nan 8.310 nan 0.000 0.510 384 P HA -0.106 nan 4.420 nan 0.000 0.217 384 P C 1.677 179.028 177.300 0.084 0.000 1.158 384 P CA 1.982 65.165 63.100 0.138 0.000 0.887 384 P CB -0.388 31.415 31.700 0.172 0.000 0.792 385 G N -0.553 108.282 108.800 0.058 0.000 2.470 385 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 385 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 385 G C 1.298 176.206 174.900 0.013 0.000 1.121 385 G CA 0.505 45.629 45.100 0.039 0.000 0.766 385 G HN 0.337 nan 8.290 nan 0.000 0.553 386 E N -0.446 119.750 120.200 -0.007 0.000 2.371 386 E HA 0.153 4.504 4.350 0.001 0.000 0.194 386 E C 0.567 177.114 176.600 -0.088 0.000 1.012 386 E CA -0.385 55.993 56.400 -0.038 0.000 0.860 386 E CB 0.099 29.777 29.700 -0.036 0.000 0.811 386 E HN 0.343 nan 8.360 nan 0.000 0.502 387 L N 1.541 122.693 121.223 -0.117 0.000 2.426 387 L HA 0.121 4.462 4.340 0.001 0.000 0.271 387 L C -0.158 176.547 176.870 -0.276 0.000 1.169 387 L CA -0.338 54.331 54.840 -0.285 0.000 0.836 387 L CB 0.888 42.691 42.059 -0.427 0.000 1.112 387 L HN -0.139 nan 8.230 nan 0.000 0.465 388 V N 1.774 121.435 119.914 -0.421 0.000 2.350 388 V HA 0.276 4.397 4.120 0.001 0.000 0.285 388 V C -0.655 175.141 176.094 -0.496 0.000 1.014 388 V CA -0.567 61.554 62.300 -0.298 0.000 0.831 388 V CB 1.013 32.718 31.823 -0.196 0.000 1.000 388 V HN 0.571 nan 8.190 nan 0.000 0.433 389 W N 3.006 124.150 121.300 -0.261 0.000 2.448 389 W HA 0.583 5.243 4.660 0.000 0.000 0.339 389 W C -0.046 176.339 176.519 -0.224 0.000 1.124 389 W CA -0.734 56.413 57.345 -0.330 0.000 1.262 389 W CB 0.616 29.931 29.460 -0.242 0.000 1.251 389 W HN 0.489 nan 8.180 nan 0.000 0.597 390 Y N 2.653 123.068 120.300 0.191 0.000 2.402 390 Y HA 0.081 4.632 4.550 0.002 0.000 0.333 390 Y C -1.204 174.761 175.900 0.109 0.000 1.076 390 Y CA -1.784 56.387 58.100 0.118 0.000 1.299 390 Y CB 0.364 38.885 38.460 0.101 0.000 1.197 390 Y HN 0.240 nan 8.280 nan 0.000 0.517 391 P HA -0.141 nan 4.420 nan 0.000 0.223 391 P C 0.045 177.492 177.300 0.245 0.000 1.151 391 P CA 0.798 64.032 63.100 0.222 0.000 0.787 391 P CB 0.179 32.004 31.700 0.208 0.000 0.788 392 N N 1.413 120.246 118.700 0.221 0.000 2.374 392 N HA -0.055 4.686 4.740 0.001 0.000 0.269 392 N C -1.274 174.362 175.510 0.209 0.000 1.310 392 N CA -0.659 52.508 53.050 0.196 0.000 0.877 392 N CB 0.486 39.059 38.487 0.145 0.000 1.096 392 N HN 0.093 nan 8.380 nan 0.000 0.484 393 P HA -0.111 nan 4.420 nan 0.000 0.231 393 P C 0.893 178.297 177.300 0.172 0.000 1.158 393 P CA 1.080 64.351 63.100 0.285 0.000 0.763 393 P CB 0.274 32.187 31.700 0.355 0.000 0.805 394 M N -1.535 118.152 119.600 0.144 0.000 2.534 394 M HA 0.121 4.602 4.480 0.001 0.000 0.263 394 M C 0.281 176.636 176.300 0.091 0.000 1.152 394 M CA 0.582 55.943 55.300 0.102 0.000 1.145 394 M CB 0.197 32.864 32.600 0.111 0.000 1.333 394 M HN -0.186 nan 8.290 nan 0.000 0.477 395 I N 0.253 120.897 120.570 0.123 0.000 2.389 395 I HA 0.277 4.448 4.170 0.001 0.000 0.288 395 I C -0.096 176.149 176.117 0.212 0.000 0.999 395 I CA -0.436 60.957 61.300 0.155 0.000 1.129 395 I CB 1.420 39.514 38.000 0.156 0.000 1.288 395 I HN -0.092 nan 8.210 nan 0.000 0.444 396 R N 4.711 125.323 120.500 0.186 0.000 2.215 396 R HA 0.822 5.163 4.340 0.001 0.000 0.337 396 R C -0.526 175.955 176.300 0.301 0.000 1.010 396 R CA -0.324 55.899 56.100 0.205 0.000 0.871 396 R CB 0.624 30.991 30.300 0.113 0.000 1.134 396 R HN 0.847 nan 8.270 nan 0.000 0.477 397 G N 2.615 111.620 108.800 0.341 0.000 2.623 397 G HA2 0.440 4.401 3.960 0.001 0.000 0.290 397 G HA3 0.440 4.401 3.960 0.001 0.000 0.290 397 G C -1.799 172.792 174.900 -0.515 0.000 1.437 397 G CA -0.798 44.357 45.100 0.091 0.000 0.798 397 G HN 0.403 nan 8.290 nan 0.000 0.488 398 L N 0.283 121.110 121.223 -0.659 0.000 2.334 398 L HA 0.510 4.850 4.340 0.001 0.000 0.272 398 L C 1.581 178.058 176.870 -0.655 0.000 1.020 398 L CA -0.867 53.424 54.840 -0.915 0.000 0.812 398 L CB 2.388 43.914 42.059 -0.888 0.000 1.264 398 L HN 0.749 nan 8.230 nan 0.000 0.439 399 K N 1.212 121.263 120.400 -0.582 0.000 2.167 399 K HA 0.213 4.534 4.320 0.001 0.000 0.203 399 K C 0.195 176.688 176.600 -0.178 0.000 1.052 399 K CA 0.875 57.005 56.287 -0.261 0.000 0.956 399 K CB 0.361 32.747 32.500 -0.189 0.000 0.735 399 K HN 0.722 nan 8.250 nan 0.000 0.451 400 A N 0.256 122.931 122.820 -0.242 0.000 2.610 400 A HA 0.549 4.870 4.320 0.001 0.000 0.291 400 A C -2.075 175.390 177.584 -0.198 0.000 1.086 400 A CA -0.743 51.196 52.037 -0.163 0.000 0.677 400 A CB 1.488 20.416 19.000 -0.119 0.000 1.278 400 A HN 0.090 nan 8.150 nan 0.000 0.414 401 L N 1.365 122.520 121.223 -0.113 0.000 2.489 401 L HA 0.518 4.859 4.340 0.001 0.000 0.257 401 L C -2.869 173.993 176.870 -0.014 0.000 1.215 401 L CA -1.565 53.223 54.840 -0.086 0.000 0.915 401 L CB 1.325 43.350 42.059 -0.057 0.000 1.146 401 L HN 0.323 nan 8.230 nan 0.000 0.494 402 P HA 0.326 nan 4.420 nan 0.000 0.267 402 P C -0.593 176.730 177.300 0.038 0.000 1.205 402 P CA 0.259 63.362 63.100 0.004 0.000 0.765 402 P CB 0.596 32.282 31.700 -0.022 0.000 0.828 403 I N 0.519 121.131 120.570 0.070 0.000 3.145 403 I HA 0.851 5.021 4.170 0.001 0.000 0.313 403 I C -0.601 175.551 176.117 0.057 0.000 1.122 403 I CA -1.667 59.699 61.300 0.111 0.000 0.987 403 I CB 2.807 40.929 38.000 0.205 0.000 1.236 403 I HN 0.305 nan 8.210 nan 0.000 0.453 404 R N 1.445 121.985 120.500 0.066 0.000 2.781 404 R HA 0.631 4.972 4.340 0.001 0.000 0.269 404 R C -2.048 174.312 176.300 0.100 0.000 1.025 404 R CA -0.808 55.189 56.100 -0.172 0.000 0.914 404 R CB 1.238 31.413 30.300 -0.208 0.000 1.236 404 R HN 0.975 nan 8.270 nan 0.000 0.465 405 W N -0.352 120.954 121.300 0.010 0.000 0.996 405 W HA 0.517 5.178 4.660 0.001 0.000 0.266 405 W C -1.097 175.427 176.519 0.008 0.000 0.852 405 W CA -0.840 56.511 57.345 0.010 0.000 1.915 405 W CB 0.587 30.054 29.460 0.012 0.000 1.130 405 W HN 0.325 nan 8.180 nan 0.000 0.457 406 R N 2.680 123.158 120.500 -0.037 0.000 2.575 406 R HA 0.352 4.693 4.340 0.001 0.000 0.292 406 R C 0.203 176.489 176.300 -0.023 0.000 1.246 406 R CA -0.715 55.374 56.100 -0.018 0.000 0.973 406 R CB 1.837 32.076 30.300 -0.102 0.000 1.187 406 R HN 0.358 nan 8.270 nan 0.000 0.478 407 R N 0.581 121.090 120.500 0.015 0.000 2.517 407 R HA 0.808 5.149 4.340 0.001 0.000 0.250 407 R C 0.068 176.369 176.300 0.001 0.000 1.213 407 R CA -0.536 55.568 56.100 0.006 0.000 1.146 407 R CB 0.646 30.958 30.300 0.020 0.000 1.279 407 R HN 0.513 nan 8.270 nan 0.000 0.597 408 G N 0.000 108.800 108.800 -0.000 0.000 5.446 408 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 408 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 408 G CA 0.000 nan 45.100 nan 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925