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 2gbl_1_F DATA FIRST_RESID 14 DATA SEQUENCE EHQAIAKMRT MIEGFDDISH GGLPIGRSTL VSGTSGTGKT LFSIQFLYNG DATA SEQUENCE IIEFDEPGVF VTFEETPQDI IKNARSFGWD LAKLVDEGKL FILDASPDPE DATA SEQUENCE GQEVVGGFDL SALIERINYA IQKYRARRVS IDSVTSVFQQ YDASSVVRRE DATA SEQUENCE LFRLVARLKQ IGATTVMTTE RIEEYGPIAR YGVEEFVSDN VVILRNVLEG DATA SEQUENCE ERRRRTLEIL KLRGTSHMKG EYPFTITDHG INIFPLGAMR LTQRSSNVRV DATA SEQUENCE SSGVVRLDEM CGGGFFKDSI ILATGATGTG KTLLVSRFVE NACANKERAI DATA SEQUENCE LFAYEESRAQ LLRNAYSWGM DFEEMERQNL LKIVCAYPES AGLEDHLQII DATA SEQUENCE KSEINDFKPA RIAIDSLSAL ARGVSNNAFR QFVIGVTGYA KQEEITGLFT DATA SEQUENCE NTSDQFMGAH SITDSHIXXI TDTIILLQYV EIRGEMSRAI NVFKMRGSWH DATA SEQUENCE DKAIREFMIS DKGPDIKDSF RNFERIISGS PTRITVDEKS ELSRIVRGVQ DATA SEQUENCE EKGPES 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 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.669 176.600 0.115 0.000 1.382 14 E CA 0.000 56.431 56.400 0.052 0.000 0.976 14 E CB 0.000 29.720 29.700 0.034 0.000 0.812 15 H N 4.240 123.306 119.070 -0.006 0.000 3.092 15 H HA 0.394 4.950 4.556 -0.000 0.000 0.263 15 H C -0.812 174.523 175.328 0.011 0.000 1.611 15 H CA 0.644 56.692 56.048 0.001 0.000 1.457 15 H CB 0.103 29.864 29.762 -0.003 0.000 1.731 15 H HN 0.284 nan 8.280 nan 0.000 0.532 16 Q N 2.114 121.914 119.800 0.000 0.000 2.284 16 Q HA 0.375 4.715 4.340 -0.000 0.000 0.269 16 Q C 0.064 176.040 176.000 -0.039 0.000 1.026 16 Q CA -0.508 55.285 55.803 -0.016 0.000 0.831 16 Q CB 2.200 30.959 28.738 0.035 0.000 1.322 16 Q HN 0.561 nan 8.270 nan 0.000 0.419 17 A N 2.467 125.254 122.820 -0.054 0.000 2.209 17 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 17 A C 0.610 178.188 177.584 -0.009 0.000 1.158 17 A CA 0.801 52.813 52.037 -0.041 0.000 0.742 17 A CB 0.217 19.189 19.000 -0.048 0.000 0.790 17 A HN 0.489 nan 8.150 nan 0.000 0.472 18 I N 0.054 120.627 120.570 0.005 0.000 2.406 18 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 18 I C 0.474 176.601 176.117 0.017 0.000 0.999 18 I CA -1.210 60.097 61.300 0.013 0.000 1.124 18 I CB 0.786 38.798 38.000 0.019 0.000 1.289 18 I HN 0.129 nan 8.210 nan 0.000 0.441 19 A N 7.419 130.246 122.820 0.012 0.000 2.454 19 A HA 0.376 4.696 4.320 -0.000 0.000 0.260 19 A C 0.267 177.859 177.584 0.013 0.000 1.106 19 A CA -0.076 51.966 52.037 0.009 0.000 0.780 19 A CB 0.101 19.101 19.000 -0.000 0.000 1.044 19 A HN 0.736 nan 8.150 nan 0.000 0.498 20 K N 1.339 121.748 120.400 0.015 0.000 2.238 20 K HA 0.652 4.972 4.320 -0.000 0.000 0.239 20 K C -0.581 176.020 176.600 0.002 0.000 0.987 20 K CA -0.562 55.741 56.287 0.027 0.000 0.857 20 K CB 2.086 34.615 32.500 0.050 0.000 1.154 20 K HN 0.806 nan 8.250 nan 0.000 0.439 21 M N 1.550 121.164 119.600 0.023 0.000 2.311 21 M HA 0.365 4.845 4.480 -0.000 0.000 0.325 21 M C -1.070 175.257 176.300 0.044 0.000 1.061 21 M CA -0.523 54.763 55.300 -0.023 0.000 0.957 21 M CB 1.363 33.982 32.600 0.032 0.000 1.646 21 M HN 0.427 nan 8.290 nan 0.000 0.434 22 R N 1.853 122.342 120.500 -0.019 0.000 2.438 22 R HA 0.213 4.553 4.340 -0.000 0.000 0.287 22 R C 1.114 177.552 176.300 0.230 0.000 1.077 22 R CA 0.378 56.560 56.100 0.136 0.000 1.034 22 R CB 0.599 31.014 30.300 0.192 0.000 0.993 22 R HN 0.842 nan 8.270 nan 0.000 0.459 23 T N -0.579 114.117 114.554 0.237 0.000 3.044 23 T HA 0.017 4.367 4.350 -0.000 0.000 0.255 23 T C 1.102 175.864 174.700 0.104 0.000 1.073 23 T CA -0.023 62.191 62.100 0.190 0.000 1.125 23 T CB 0.285 69.181 68.868 0.046 0.000 0.908 23 T HN 0.541 nan 8.240 nan 0.000 0.480 24 M N -0.546 119.131 119.600 0.128 0.000 2.939 24 M HA -0.119 4.361 4.480 -0.000 0.000 0.194 24 M C -0.204 176.106 176.300 0.017 0.000 0.617 24 M CA 0.304 55.645 55.300 0.069 0.000 0.734 24 M CB -2.608 30.002 32.600 0.017 0.000 2.637 24 M HN 0.450 nan 8.290 nan 0.000 0.316 25 I N 1.313 121.882 120.570 -0.001 0.000 2.471 25 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 25 I C 1.364 177.502 176.117 0.035 0.000 1.079 25 I CA 0.023 61.297 61.300 -0.043 0.000 1.398 25 I CB 0.518 38.408 38.000 -0.183 0.000 1.403 25 I HN 0.060 nan 8.210 nan 0.000 0.530 26 E N 5.538 125.742 120.200 0.006 0.000 2.614 26 E HA -0.045 4.305 4.350 -0.000 0.000 0.245 26 E C 1.081 177.666 176.600 -0.024 0.000 1.039 26 E CA 1.127 57.521 56.400 -0.010 0.000 0.948 26 E CB 0.281 29.956 29.700 -0.041 0.000 0.937 26 E HN 0.969 nan 8.360 nan 0.000 0.498 27 G N 4.655 113.454 108.800 -0.001 0.000 2.299 27 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.237 27 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.237 27 G C 0.655 175.560 174.900 0.009 0.000 1.027 27 G CA 0.264 45.352 45.100 -0.022 0.000 0.619 27 G HN 0.603 nan 8.290 nan 0.000 0.513 28 F N 2.362 122.291 119.950 -0.036 0.000 2.134 28 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 28 F C 2.287 178.096 175.800 0.015 0.000 1.097 28 F CA 2.362 60.362 58.000 0.001 0.000 1.264 28 F CB -0.021 39.012 39.000 0.055 0.000 1.001 28 F HN 0.204 nan 8.300 nan 0.000 0.479 29 D N 0.032 120.499 120.400 0.112 0.000 2.263 29 D HA -0.174 4.466 4.640 -0.000 0.000 0.208 29 D C 1.685 177.965 176.300 -0.032 0.000 0.971 29 D CA 1.298 55.327 54.000 0.049 0.000 0.867 29 D CB -0.378 40.493 40.800 0.118 0.000 0.929 29 D HN 0.496 nan 8.370 nan 0.000 0.492 30 D N 0.692 121.059 120.400 -0.053 0.000 2.120 30 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 30 D C 2.412 178.681 176.300 -0.052 0.000 0.972 30 D CA 0.328 54.306 54.000 -0.037 0.000 0.837 30 D CB 0.180 40.950 40.800 -0.050 0.000 0.989 30 D HN 0.239 nan 8.370 nan 0.000 0.469 31 I N 1.692 122.120 120.570 -0.237 0.000 2.163 31 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 31 I C 2.290 178.204 176.117 -0.337 0.000 1.085 31 I CA 1.208 62.296 61.300 -0.353 0.000 1.347 31 I CB -0.232 37.474 38.000 -0.490 0.000 1.044 31 I HN -0.024 nan 8.210 nan 0.000 0.408 32 S N -1.116 114.307 115.700 -0.462 0.000 2.671 32 S HA -0.043 4.427 4.470 -0.000 0.000 0.220 32 S C 0.513 175.084 174.600 -0.048 0.000 0.951 32 S CA -0.217 57.775 58.200 -0.347 0.000 0.932 32 S CB -0.527 62.374 63.200 -0.498 0.000 0.777 32 S HN 0.471 nan 8.310 nan 0.000 0.508 33 H N 0.707 119.720 119.070 -0.096 0.000 2.626 33 H HA -0.142 4.414 4.556 -0.000 0.000 0.317 33 H C 1.334 176.650 175.328 -0.019 0.000 1.140 33 H CA 0.891 56.915 56.048 -0.041 0.000 1.134 33 H CB -1.749 28.008 29.762 -0.010 0.000 1.486 33 H HN 0.856 nan 8.280 nan 0.000 0.417 34 G N -2.947 105.905 108.800 0.087 0.000 2.421 34 G HA2 0.317 4.277 3.960 -0.000 0.000 0.188 34 G HA3 0.317 4.277 3.960 -0.000 0.000 0.188 34 G C 0.808 175.760 174.900 0.087 0.000 1.001 34 G CA 0.662 45.804 45.100 0.070 0.000 0.693 34 G HN 1.645 nan 8.290 nan 0.000 0.479 35 G N -0.866 107.998 108.800 0.107 0.000 2.331 35 G HA2 0.324 4.284 3.960 -0.000 0.000 0.402 35 G HA3 0.324 4.284 3.960 -0.000 0.000 0.402 35 G C -0.547 174.467 174.900 0.191 0.000 1.275 35 G CA -0.421 44.800 45.100 0.202 0.000 1.003 35 G HN 1.027 nan 8.290 nan 0.000 0.500 36 L N 1.370 122.719 121.223 0.211 0.000 2.367 36 L HA 0.331 4.671 4.340 -0.000 0.000 0.275 36 L C -1.902 175.016 176.870 0.080 0.000 1.129 36 L CA -1.479 53.440 54.840 0.133 0.000 0.839 36 L CB 0.908 42.995 42.059 0.048 0.000 1.133 36 L HN 0.229 nan 8.230 nan 0.000 0.453 37 P HA 0.010 nan 4.420 nan 0.000 0.262 37 P C -0.399 176.923 177.300 0.037 0.000 1.182 37 P CA 0.153 63.275 63.100 0.037 0.000 0.761 37 P CB 0.416 32.130 31.700 0.025 0.000 0.795 38 I N 2.243 122.832 120.570 0.032 0.000 2.696 38 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 38 I C 1.731 177.864 176.117 0.026 0.000 1.129 38 I CA 1.139 62.458 61.300 0.032 0.000 1.410 38 I CB -0.301 37.706 38.000 0.013 0.000 1.399 38 I HN 0.684 nan 8.210 nan 0.000 0.579 39 G N 3.796 112.614 108.800 0.031 0.000 2.184 39 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 39 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 39 G C 0.478 175.390 174.900 0.019 0.000 0.975 39 G CA 0.019 45.132 45.100 0.022 0.000 0.642 39 G HN 0.586 nan 8.290 nan 0.000 0.536 40 R N -0.378 120.134 120.500 0.021 0.000 2.960 40 R HA 0.757 5.097 4.340 -0.000 0.000 0.249 40 R C -0.158 176.145 176.300 0.006 0.000 1.192 40 R CA -0.093 56.014 56.100 0.012 0.000 1.035 40 R CB 1.495 31.803 30.300 0.012 0.000 1.234 40 R HN 0.466 nan 8.270 nan 0.000 0.493 41 S N -0.523 115.175 115.700 -0.004 0.000 2.536 41 S HA 0.523 4.993 4.470 -0.000 0.000 0.298 41 S C -0.699 173.881 174.600 -0.033 0.000 1.083 41 S CA -0.745 57.445 58.200 -0.017 0.000 0.995 41 S CB 2.095 65.290 63.200 -0.008 0.000 1.058 41 S HN 0.438 nan 8.310 nan 0.000 0.488 42 T N 3.083 117.598 114.554 -0.064 0.000 2.786 42 T HA 0.438 4.788 4.350 -0.000 0.000 0.283 42 T C -0.538 174.107 174.700 -0.092 0.000 0.992 42 T CA -0.474 61.577 62.100 -0.082 0.000 0.954 42 T CB 0.955 69.756 68.868 -0.111 0.000 0.934 42 T HN 0.630 nan 8.240 nan 0.000 0.440 43 L N 4.978 126.153 121.223 -0.079 0.000 2.367 43 L HA 0.535 4.875 4.340 -0.000 0.000 0.275 43 L C -0.771 176.026 176.870 -0.122 0.000 1.129 43 L CA 0.075 54.871 54.840 -0.073 0.000 0.839 43 L CB 0.588 42.615 42.059 -0.054 0.000 1.133 43 L HN 0.438 nan 8.230 nan 0.000 0.453 44 V N 5.177 125.012 119.914 -0.130 0.000 2.349 44 V HA 0.534 4.654 4.120 -0.000 0.000 0.284 44 V C -0.172 175.849 176.094 -0.122 0.000 1.014 44 V CA -0.240 61.936 62.300 -0.207 0.000 0.826 44 V CB 1.236 32.861 31.823 -0.331 0.000 1.009 44 V HN 0.906 nan 8.190 nan 0.000 0.431 45 S N 4.000 119.640 115.700 -0.101 0.000 2.600 45 S HA 1.010 5.480 4.470 -0.000 0.000 0.300 45 S C -0.261 174.313 174.600 -0.044 0.000 1.087 45 S CA 0.172 58.340 58.200 -0.053 0.000 0.965 45 S CB 2.345 65.525 63.200 -0.033 0.000 1.089 45 S HN 1.318 nan 8.310 nan 0.000 0.496 46 G N 0.957 109.745 108.800 -0.021 0.000 2.441 46 G HA2 0.519 4.479 3.960 -0.000 0.000 0.294 46 G HA3 0.519 4.479 3.960 -0.000 0.000 0.294 46 G C -0.371 174.523 174.900 -0.009 0.000 1.393 46 G CA -0.052 45.037 45.100 -0.018 0.000 0.796 46 G HN 1.206 nan 8.290 nan 0.000 0.494 47 T N -1.698 112.845 114.554 -0.018 0.000 2.698 47 T HA 0.529 4.879 4.350 -0.000 0.000 0.295 47 T C 1.093 175.798 174.700 0.008 0.000 1.007 47 T CA 0.525 62.617 62.100 -0.013 0.000 0.980 47 T CB 1.041 69.892 68.868 -0.029 0.000 1.036 47 T HN 1.378 nan 8.240 nan 0.000 0.526 48 S N -0.433 115.272 115.700 0.009 0.000 2.537 48 S HA 0.408 4.878 4.470 -0.000 0.000 0.286 48 S C 1.597 176.214 174.600 0.027 0.000 1.299 48 S CA 0.503 58.716 58.200 0.022 0.000 1.067 48 S CB -1.038 62.172 63.200 0.017 0.000 0.864 48 S HN 2.080 nan 8.310 nan 0.000 0.494 49 G N 3.344 112.171 108.800 0.045 0.000 2.148 49 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 49 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 49 G C 0.684 175.623 174.900 0.065 0.000 0.981 49 G CA 0.901 46.033 45.100 0.053 0.000 0.670 49 G HN 1.271 nan 8.290 nan 0.000 0.528 50 T N -2.362 112.237 114.554 0.074 0.000 3.088 50 T HA 0.411 4.761 4.350 -0.000 0.000 0.259 50 T C 2.213 177.036 174.700 0.204 0.000 1.122 50 T CA 1.509 63.673 62.100 0.106 0.000 1.095 50 T CB 0.351 69.269 68.868 0.084 0.000 0.930 50 T HN 2.140 nan 8.240 nan 0.000 0.508 51 G N 1.210 110.119 108.800 0.181 0.000 2.154 51 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.186 51 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.186 51 G C 0.701 175.713 174.900 0.185 0.000 1.000 51 G CA 0.175 45.408 45.100 0.221 0.000 0.664 51 G HN 0.482 nan 8.290 nan 0.000 0.513 52 K N 0.060 120.543 120.400 0.139 0.000 1.991 52 K HA -0.084 4.236 4.320 -0.000 0.000 0.212 52 K C 2.664 179.375 176.600 0.185 0.000 1.049 52 K CA 2.213 58.570 56.287 0.117 0.000 0.932 52 K CB -0.452 32.097 32.500 0.081 0.000 0.717 52 K HN 0.344 nan 8.250 nan 0.000 0.441 53 T N 2.091 116.756 114.554 0.186 0.000 2.684 53 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 53 T C 1.746 176.583 174.700 0.229 0.000 1.036 53 T CA 1.355 63.596 62.100 0.235 0.000 1.148 53 T CB -0.333 68.662 68.868 0.213 0.000 0.863 53 T HN 0.090 nan 8.240 nan 0.000 0.436 54 L N 0.681 122.019 121.223 0.192 0.000 2.042 54 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 54 L C 2.050 178.990 176.870 0.117 0.000 1.076 54 L CA 1.564 56.487 54.840 0.138 0.000 0.749 54 L CB -1.091 41.004 42.059 0.060 0.000 0.893 54 L HN 0.245 nan 8.230 nan 0.000 0.432 55 F N 0.278 120.227 119.950 -0.002 0.000 2.069 55 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 55 F C 2.802 178.605 175.800 0.005 0.000 1.113 55 F CA 2.213 60.171 58.000 -0.070 0.000 1.214 55 F CB -0.536 38.377 39.000 -0.145 0.000 0.978 55 F HN 0.347 nan 8.300 nan 0.000 0.474 56 S N 0.269 116.146 115.700 0.296 0.000 2.402 56 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 56 S C 2.043 176.828 174.600 0.309 0.000 1.021 56 S CA 1.200 59.592 58.200 0.321 0.000 0.974 56 S CB -0.839 62.568 63.200 0.346 0.000 0.800 56 S HN 0.342 nan 8.310 nan 0.000 0.484 57 I N 2.037 122.735 120.570 0.213 0.000 2.233 57 I HA -0.100 4.070 4.170 -0.000 0.000 0.243 57 I C 2.904 178.973 176.117 -0.081 0.000 1.093 57 I CA 1.385 62.729 61.300 0.072 0.000 1.380 57 I CB -1.548 36.476 38.000 0.041 0.000 1.067 57 I HN 0.452 nan 8.210 nan 0.000 0.413 58 Q N -0.026 119.673 119.800 -0.169 0.000 2.197 58 Q HA -0.269 4.071 4.340 -0.000 0.000 0.207 58 Q C 2.242 178.099 176.000 -0.238 0.000 0.984 58 Q CA 1.751 57.334 55.803 -0.365 0.000 0.869 58 Q CB -0.230 28.311 28.738 -0.328 0.000 0.906 58 Q HN 0.412 nan 8.270 nan 0.000 0.426 59 F N 0.309 120.063 119.950 -0.326 0.000 2.146 59 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 59 F C 1.468 177.193 175.800 -0.125 0.000 1.096 59 F CA 1.313 59.154 58.000 -0.265 0.000 1.275 59 F CB -0.192 38.653 39.000 -0.259 0.000 1.008 59 F HN 0.028 nan 8.300 nan 0.000 0.480 60 L N -1.359 119.690 121.223 -0.290 0.000 2.068 60 L HA -0.183 4.157 4.340 -0.000 0.000 0.204 60 L C 2.382 179.103 176.870 -0.248 0.000 1.076 60 L CA 1.411 56.057 54.840 -0.323 0.000 0.753 60 L CB -1.135 40.881 42.059 -0.072 0.000 0.910 60 L HN 0.192 nan 8.230 nan 0.000 0.439 61 Y N 1.753 121.839 120.300 -0.357 0.000 2.049 61 Y HA -0.307 4.243 4.550 -0.000 0.000 0.277 61 Y C 2.507 178.172 175.900 -0.392 0.000 1.143 61 Y CA 2.044 59.889 58.100 -0.424 0.000 1.115 61 Y CB -0.272 37.764 38.460 -0.707 0.000 0.975 61 Y HN 0.184 nan 8.280 nan 0.000 0.487 62 N N 0.179 118.725 118.700 -0.256 0.000 2.137 62 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 62 N C 1.981 177.327 175.510 -0.273 0.000 1.017 62 N CA 1.436 54.322 53.050 -0.274 0.000 0.859 62 N CB -1.112 37.281 38.487 -0.157 0.000 1.002 62 N HN 0.587 nan 8.380 nan 0.000 0.428 63 G N 0.586 109.240 108.800 -0.244 0.000 2.442 63 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 63 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 63 G C 1.593 176.409 174.900 -0.140 0.000 1.141 63 G CA 0.519 45.540 45.100 -0.132 0.000 0.763 63 G HN 0.294 nan 8.290 nan 0.000 0.554 64 I N 0.498 120.910 120.570 -0.264 0.000 2.235 64 I HA -0.044 4.126 4.170 -0.000 0.000 0.241 64 I C 2.247 178.177 176.117 -0.312 0.000 1.085 64 I CA 0.404 61.553 61.300 -0.252 0.000 1.378 64 I CB -0.036 37.800 38.000 -0.274 0.000 1.076 64 I HN 0.029 nan 8.210 nan 0.000 0.415 65 I N 0.458 120.733 120.570 -0.492 0.000 2.756 65 I HA -0.158 4.012 4.170 -0.000 0.000 0.262 65 I C 1.969 177.850 176.117 -0.393 0.000 1.225 65 I CA 1.463 62.484 61.300 -0.465 0.000 1.472 65 I CB -1.014 36.600 38.000 -0.643 0.000 1.094 65 I HN 0.333 nan 8.210 nan 0.000 0.454 66 E N -1.444 118.469 120.200 -0.478 0.000 2.514 66 E HA 0.166 4.516 4.350 -0.000 0.000 0.215 66 E C 0.943 177.044 176.600 -0.832 0.000 0.946 66 E CA 0.282 56.252 56.400 -0.717 0.000 1.038 66 E CB 0.638 29.683 29.700 -1.091 0.000 1.069 66 E HN 0.413 nan 8.360 nan 0.000 0.503 67 F N -0.078 119.797 119.950 -0.126 0.000 2.915 67 F HA 0.136 4.663 4.527 -0.000 0.000 0.347 67 F C 0.015 175.760 175.800 -0.092 0.000 1.104 67 F CA -0.456 57.487 58.000 -0.095 0.000 1.126 67 F CB 0.909 39.854 39.000 -0.091 0.000 1.145 67 F HN -0.191 nan 8.300 nan 0.000 0.541 68 D N 2.511 122.910 120.400 -0.001 0.000 2.708 68 D HA -0.229 4.411 4.640 -0.000 0.000 0.236 68 D C -0.384 175.919 176.300 0.004 0.000 1.146 68 D CA 0.672 54.657 54.000 -0.023 0.000 0.662 68 D CB -0.700 40.090 40.800 -0.017 0.000 1.059 68 D HN 0.469 nan 8.370 nan 0.000 0.428 69 E N 0.608 120.812 120.200 0.008 0.000 2.055 69 E HA 0.345 4.695 4.350 -0.000 0.000 0.274 69 E C -2.250 174.322 176.600 -0.046 0.000 0.949 69 E CA -1.950 54.444 56.400 -0.009 0.000 0.775 69 E CB 1.085 30.784 29.700 -0.002 0.000 1.097 69 E HN 0.241 nan 8.360 nan 0.000 0.404 70 P HA 0.059 nan 4.420 nan 0.000 0.269 70 P C -0.281 177.002 177.300 -0.027 0.000 1.215 70 P CA -0.195 62.902 63.100 -0.006 0.000 0.780 70 P CB 0.782 32.516 31.700 0.056 0.000 0.898 71 G N 0.217 108.998 108.800 -0.031 0.000 2.571 71 G HA2 0.542 4.502 3.960 -0.000 0.000 0.304 71 G HA3 0.542 4.502 3.960 -0.000 0.000 0.304 71 G C -1.620 173.285 174.900 0.008 0.000 1.314 71 G CA -0.531 44.549 45.100 -0.032 0.000 0.975 71 G HN 0.342 nan 8.290 nan 0.000 0.485 72 V N 1.957 121.899 119.914 0.047 0.000 2.357 72 V HA 0.427 4.547 4.120 -0.000 0.000 0.284 72 V C -1.046 175.110 176.094 0.103 0.000 1.018 72 V CA -0.627 61.726 62.300 0.088 0.000 0.841 72 V CB 1.201 33.093 31.823 0.115 0.000 0.991 72 V HN 0.639 nan 8.190 nan 0.000 0.437 73 F N 5.881 125.785 119.950 -0.076 0.000 2.361 73 F HA 0.593 5.120 4.527 -0.000 0.000 0.364 73 F C -0.065 175.649 175.800 -0.144 0.000 1.120 73 F CA -0.470 57.480 58.000 -0.083 0.000 1.102 73 F CB 1.318 40.265 39.000 -0.088 0.000 1.183 73 F HN 0.266 nan 8.300 nan 0.000 0.476 74 V N 5.518 125.074 119.914 -0.596 0.000 2.348 74 V HA 0.235 4.355 4.120 -0.000 0.000 0.270 74 V C 0.198 175.886 176.094 -0.677 0.000 1.037 74 V CA -0.414 61.575 62.300 -0.519 0.000 0.872 74 V CB 1.002 32.572 31.823 -0.422 0.000 1.002 74 V HN 0.784 nan 8.190 nan 0.000 0.464 75 T N 4.596 118.889 114.554 -0.434 0.000 2.771 75 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 75 T C 0.369 174.848 174.700 -0.369 0.000 0.982 75 T CA -0.198 61.760 62.100 -0.237 0.000 0.978 75 T CB 0.386 69.333 68.868 0.131 0.000 0.930 75 T HN 0.402 nan 8.240 nan 0.000 0.447 76 F N 2.395 122.322 119.950 -0.038 0.000 2.717 76 F HA 0.373 4.899 4.527 -0.000 0.000 0.295 76 F C 2.174 177.961 175.800 -0.021 0.000 1.117 76 F CA -0.138 57.835 58.000 -0.046 0.000 1.361 76 F CB 0.581 39.532 39.000 -0.083 0.000 1.112 76 F HN 0.562 nan 8.300 nan 0.000 0.594 77 E N -0.417 119.881 120.200 0.163 0.000 2.629 77 E HA 0.077 4.427 4.350 -0.000 0.000 0.197 77 E C 0.393 177.039 176.600 0.075 0.000 0.955 77 E CA -0.119 56.345 56.400 0.107 0.000 1.191 77 E CB 0.317 30.076 29.700 0.098 0.000 1.175 77 E HN 0.146 nan 8.360 nan 0.000 0.501 78 E N 0.866 121.118 120.200 0.087 0.000 2.442 78 E HA 0.026 4.376 4.350 -0.000 0.000 0.260 78 E C -0.582 176.045 176.600 0.044 0.000 1.148 78 E CA 0.364 56.804 56.400 0.067 0.000 0.976 78 E CB 0.838 30.588 29.700 0.082 0.000 0.967 78 E HN -0.059 nan 8.360 nan 0.000 0.454 79 T N 1.513 116.080 114.554 0.021 0.000 2.907 79 T HA 0.166 4.516 4.350 -0.000 0.000 0.284 79 T C -1.884 172.805 174.700 -0.017 0.000 1.004 79 T CA -2.024 60.076 62.100 0.000 0.000 1.063 79 T CB 1.151 70.017 68.868 -0.003 0.000 0.992 79 T HN 0.213 nan 8.240 nan 0.000 0.483 80 P HA -0.154 nan 4.420 nan 0.000 0.217 80 P C 1.484 178.749 177.300 -0.059 0.000 1.148 80 P CA 0.994 64.056 63.100 -0.063 0.000 0.828 80 P CB 0.244 31.896 31.700 -0.081 0.000 0.783 81 Q N -0.515 119.261 119.800 -0.039 0.000 2.049 81 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 81 Q C 1.688 177.665 176.000 -0.037 0.000 0.971 81 Q CA 1.411 57.194 55.803 -0.034 0.000 0.833 81 Q CB -1.580 27.144 28.738 -0.023 0.000 0.896 81 Q HN 0.313 nan 8.270 nan 0.000 0.434 82 D N 0.919 121.301 120.400 -0.030 0.000 2.104 82 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 82 D C 2.166 178.442 176.300 -0.039 0.000 0.994 82 D CA 0.831 54.815 54.000 -0.027 0.000 0.830 82 D CB -0.210 40.584 40.800 -0.011 0.000 0.959 82 D HN 0.202 nan 8.370 nan 0.000 0.452 83 I N 0.829 121.365 120.570 -0.056 0.000 2.208 83 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 83 I C 2.413 178.472 176.117 -0.097 0.000 1.097 83 I CA 0.868 62.104 61.300 -0.106 0.000 1.363 83 I CB -0.139 37.728 38.000 -0.220 0.000 1.051 83 I HN -0.017 nan 8.210 nan 0.000 0.413 84 I N -0.033 120.489 120.570 -0.081 0.000 2.252 84 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 84 I C 2.500 178.591 176.117 -0.044 0.000 1.102 84 I CA 0.976 62.244 61.300 -0.052 0.000 1.385 84 I CB -0.305 37.671 38.000 -0.041 0.000 1.064 84 I HN 0.113 nan 8.210 nan 0.000 0.414 85 K N 1.494 121.864 120.400 -0.050 0.000 2.063 85 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 85 K C 1.765 178.310 176.600 -0.091 0.000 1.048 85 K CA 1.710 57.960 56.287 -0.061 0.000 0.928 85 K CB -0.281 32.188 32.500 -0.051 0.000 0.713 85 K HN 0.201 nan 8.250 nan 0.000 0.442 86 N N 0.161 118.815 118.700 -0.077 0.000 2.270 86 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 86 N C 1.403 176.832 175.510 -0.135 0.000 1.016 86 N CA 1.266 54.258 53.050 -0.096 0.000 0.870 86 N CB -0.339 38.130 38.487 -0.030 0.000 0.979 86 N HN 0.312 nan 8.380 nan 0.000 0.431 87 A N 1.121 123.912 122.820 -0.048 0.000 2.172 87 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 87 A C 2.075 179.531 177.584 -0.213 0.000 1.154 87 A CA 0.583 52.632 52.037 0.019 0.000 0.701 87 A CB -0.267 18.849 19.000 0.193 0.000 0.789 87 A HN 0.197 nan 8.150 nan 0.000 0.465 88 R N -0.658 119.709 120.500 -0.220 0.000 2.148 88 R HA -0.075 4.265 4.340 -0.000 0.000 0.227 88 R C 2.344 178.378 176.300 -0.444 0.000 1.103 88 R CA 1.068 57.012 56.100 -0.260 0.000 0.983 88 R CB -0.357 29.842 30.300 -0.169 0.000 0.874 88 R HN 0.518 nan 8.270 nan 0.000 0.451 89 S N 0.463 115.792 115.700 -0.619 0.000 2.387 89 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 89 S C 1.121 175.032 174.600 -1.148 0.000 1.035 89 S CA 1.314 58.987 58.200 -0.879 0.000 1.014 89 S CB -0.073 62.447 63.200 -1.133 0.000 0.836 89 S HN 0.326 nan 8.310 nan 0.000 0.466 90 F N 0.702 120.218 119.950 -0.723 0.000 2.641 90 F HA 0.398 4.925 4.527 -0.000 0.000 0.302 90 F C 1.557 176.752 175.800 -1.009 0.000 1.098 90 F CA 0.045 57.411 58.000 -1.056 0.000 1.318 90 F CB 0.015 37.786 39.000 -2.048 0.000 1.035 90 F HN 0.255 nan 8.300 nan 0.000 0.551 91 G N -0.101 108.347 108.800 -0.587 0.000 2.272 91 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.280 91 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.280 91 G C -0.535 174.274 174.900 -0.153 0.000 1.067 91 G CA -0.468 44.464 45.100 -0.280 0.000 0.902 91 G HN 0.253 nan 8.290 nan 0.000 0.500 92 W N -0.146 121.089 121.300 -0.107 0.000 2.587 92 W HA 0.592 5.252 4.660 -0.000 0.000 0.324 92 W C -0.404 176.079 176.519 -0.060 0.000 1.040 92 W CA -1.768 55.462 57.345 -0.192 0.000 1.222 92 W CB 1.582 30.696 29.460 -0.577 0.000 1.381 92 W HN 0.176 nan 8.180 nan 0.000 0.483 93 D N 3.342 123.915 120.400 0.288 0.000 2.499 93 D HA 0.235 4.875 4.640 -0.000 0.000 0.225 93 D C 1.021 177.432 176.300 0.184 0.000 1.124 93 D CA -0.034 54.072 54.000 0.176 0.000 0.938 93 D CB 0.369 41.248 40.800 0.132 0.000 1.014 93 D HN 0.257 nan 8.370 nan 0.000 0.517 94 L N 2.126 123.438 121.223 0.149 0.000 2.093 94 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 94 L C 2.495 179.403 176.870 0.062 0.000 1.085 94 L CA 1.008 55.913 54.840 0.109 0.000 0.755 94 L CB -0.530 41.555 42.059 0.043 0.000 0.904 94 L HN 0.361 nan 8.230 nan 0.000 0.435 95 A N 0.801 123.648 122.820 0.045 0.000 1.903 95 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 95 A C 2.438 180.050 177.584 0.045 0.000 1.191 95 A CA 2.442 54.498 52.037 0.032 0.000 0.638 95 A CB -0.582 18.432 19.000 0.024 0.000 0.823 95 A HN 0.401 nan 8.150 nan 0.000 0.451 96 K N -0.314 120.121 120.400 0.057 0.000 2.026 96 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 96 K C 1.857 178.489 176.600 0.053 0.000 1.048 96 K CA 1.604 57.924 56.287 0.055 0.000 0.929 96 K CB -0.340 32.198 32.500 0.062 0.000 0.713 96 K HN 0.509 nan 8.250 nan 0.000 0.439 97 L N 0.544 121.801 121.223 0.057 0.000 2.141 97 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 97 L C 2.324 179.226 176.870 0.053 0.000 1.094 97 L CA 0.459 55.323 54.840 0.040 0.000 0.763 97 L CB -0.293 41.782 42.059 0.027 0.000 0.908 97 L HN 0.030 nan 8.230 nan 0.000 0.437 98 V N -0.133 119.813 119.914 0.053 0.000 2.515 98 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 98 V C 2.032 178.195 176.094 0.115 0.000 1.058 98 V CA 1.829 64.172 62.300 0.072 0.000 1.064 98 V CB -0.330 31.519 31.823 0.043 0.000 0.675 98 V HN 0.388 nan 8.190 nan 0.000 0.461 99 D N 0.246 120.696 120.400 0.084 0.000 2.097 99 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 99 D C 2.143 178.490 176.300 0.078 0.000 0.984 99 D CA 1.165 55.212 54.000 0.078 0.000 0.826 99 D CB -0.076 40.757 40.800 0.055 0.000 0.973 99 D HN 0.536 nan 8.370 nan 0.000 0.460 100 E N -0.682 119.557 120.200 0.066 0.000 2.516 100 E HA 0.119 4.469 4.350 -0.000 0.000 0.199 100 E C 1.132 177.781 176.600 0.083 0.000 1.069 100 E CA 0.473 56.906 56.400 0.055 0.000 0.876 100 E CB 0.112 29.831 29.700 0.032 0.000 0.843 100 E HN 0.335 nan 8.360 nan 0.000 0.530 101 G N 1.869 110.755 108.800 0.143 0.000 2.160 101 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 101 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 101 G C 0.925 175.976 174.900 0.251 0.000 1.008 101 G CA 0.511 45.765 45.100 0.256 0.000 0.724 101 G HN 0.084 nan 8.290 nan 0.000 0.514 102 K N -1.300 119.177 120.400 0.130 0.000 2.242 102 K HA 0.329 4.649 4.320 -0.000 0.000 0.200 102 K C 0.944 177.567 176.600 0.038 0.000 1.050 102 K CA 0.418 56.747 56.287 0.070 0.000 0.981 102 K CB 0.258 32.759 32.500 0.001 0.000 0.795 102 K HN 0.610 nan 8.250 nan 0.000 0.477 103 L N 0.059 121.296 121.223 0.024 0.000 2.365 103 L HA 0.520 4.860 4.340 -0.000 0.000 0.273 103 L C -1.518 175.310 176.870 -0.069 0.000 1.000 103 L CA -0.850 53.974 54.840 -0.027 0.000 0.819 103 L CB 1.526 43.573 42.059 -0.020 0.000 1.284 103 L HN -0.064 nan 8.230 nan 0.000 0.418 104 F N 6.022 125.764 119.950 -0.346 0.000 2.553 104 F HA 0.620 5.147 4.527 -0.000 0.000 0.335 104 F C -1.058 174.636 175.800 -0.178 0.000 1.148 104 F CA -0.782 56.947 58.000 -0.452 0.000 0.963 104 F CB 1.018 39.378 39.000 -1.067 0.000 1.217 104 F HN 0.370 nan 8.300 nan 0.000 0.441 105 I N 7.290 127.414 120.570 -0.743 0.000 2.325 105 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 105 I C -0.804 174.742 176.117 -0.953 0.000 1.019 105 I CA -0.865 60.127 61.300 -0.513 0.000 1.302 105 I CB 1.262 39.098 38.000 -0.273 0.000 1.401 105 I HN 0.460 nan 8.210 nan 0.000 0.485 106 L N 6.963 127.819 121.223 -0.611 0.000 2.272 106 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 106 L C -0.213 176.503 176.870 -0.257 0.000 1.045 106 L CA -0.232 54.337 54.840 -0.452 0.000 0.842 106 L CB 0.608 42.642 42.059 -0.041 0.000 1.224 106 L HN 0.401 nan 8.230 nan 0.000 0.430 107 D N 4.369 124.643 120.400 -0.211 0.000 2.389 107 D HA 0.243 4.883 4.640 -0.000 0.000 0.263 107 D C 0.487 176.705 176.300 -0.137 0.000 1.255 107 D CA 0.752 54.665 54.000 -0.145 0.000 0.914 107 D CB 1.346 42.092 40.800 -0.090 0.000 1.116 107 D HN 0.782 nan 8.370 nan 0.000 0.502 108 A N 3.061 125.751 122.820 -0.216 0.000 2.545 108 A HA 0.156 4.476 4.320 -0.000 0.000 0.263 108 A C 0.894 178.447 177.584 -0.050 0.000 1.202 108 A CA -0.097 51.821 52.037 -0.198 0.000 0.959 108 A CB -0.033 18.645 19.000 -0.536 0.000 1.124 108 A HN 0.505 nan 8.150 nan 0.000 0.543 109 S N 0.829 116.504 115.700 -0.042 0.000 2.584 109 S HA 0.491 4.961 4.470 -0.000 0.000 0.270 109 S C -2.335 172.290 174.600 0.042 0.000 1.346 109 S CA -0.635 57.589 58.200 0.040 0.000 1.018 109 S CB 0.286 63.500 63.200 0.023 0.000 0.899 109 S HN 0.178 nan 8.310 nan 0.000 0.542 110 P HA 0.498 nan 4.420 nan 0.000 0.284 110 P C -1.302 176.011 177.300 0.022 0.000 1.292 110 P CA -0.638 62.482 63.100 0.034 0.000 0.800 110 P CB 0.355 32.072 31.700 0.028 0.000 1.188 111 D N -0.698 119.713 120.400 0.018 0.000 2.198 111 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 111 D C -1.574 174.734 176.300 0.012 0.000 1.079 111 D CA -1.877 52.131 54.000 0.014 0.000 0.854 111 D CB 0.503 41.311 40.800 0.014 0.000 1.148 111 D HN 0.108 nan 8.370 nan 0.000 0.456 112 P HA -0.076 nan 4.420 nan 0.000 0.229 112 P C 0.125 177.431 177.300 0.009 0.000 1.150 112 P CA 0.943 64.049 63.100 0.010 0.000 0.765 112 P CB 0.291 31.996 31.700 0.009 0.000 0.783 113 E N -1.551 118.655 120.200 0.010 0.000 2.485 113 E HA 0.140 4.490 4.350 -0.000 0.000 0.213 113 E C 1.431 178.038 176.600 0.012 0.000 0.923 113 E CA -0.145 56.262 56.400 0.011 0.000 1.054 113 E CB 0.133 29.839 29.700 0.010 0.000 1.077 113 E HN 0.150 nan 8.360 nan 0.000 0.509 114 G N 2.136 110.944 108.800 0.013 0.000 2.492 114 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.308 114 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.308 114 G C 0.518 175.427 174.900 0.016 0.000 1.323 114 G CA 0.205 45.314 45.100 0.014 0.000 1.132 114 G HN 0.175 nan 8.290 nan 0.000 0.630 115 Q N -2.160 117.651 119.800 0.019 0.000 3.028 115 Q HA 0.703 5.043 4.340 -0.000 0.000 0.204 115 Q C -0.490 175.523 176.000 0.022 0.000 1.155 115 Q CA -0.526 55.291 55.803 0.024 0.000 0.447 115 Q CB 0.714 29.470 28.738 0.031 0.000 5.412 115 Q HN 0.372 nan 8.270 nan 0.000 0.322 116 E N -0.603 119.618 120.200 0.035 0.000 2.388 116 E HA 0.386 4.736 4.350 -0.000 0.000 0.289 116 E C -1.901 174.753 176.600 0.089 0.000 0.944 116 E CA -0.467 55.959 56.400 0.043 0.000 0.792 116 E CB 2.265 32.003 29.700 0.063 0.000 1.239 116 E HN 0.565 nan 8.360 nan 0.000 0.412 117 V N 2.072 122.043 119.914 0.095 0.000 3.101 117 V HA -0.093 4.027 4.120 -0.000 0.000 0.448 117 V C -0.754 175.418 176.094 0.130 0.000 0.682 117 V CA 0.353 62.775 62.300 0.204 0.000 1.983 117 V CB -0.828 31.133 31.823 0.228 0.000 2.462 117 V HN 0.691 nan 8.190 nan 0.000 0.492 118 V N 4.113 124.106 119.914 0.132 0.000 5.567 118 V HA 0.546 4.666 4.120 -0.000 0.000 0.246 118 V C 0.437 176.578 176.094 0.078 0.000 0.992 118 V CA 1.037 63.401 62.300 0.107 0.000 1.514 118 V CB 0.576 32.449 31.823 0.083 0.000 0.191 118 V HN 2.034 nan 8.190 nan 0.000 0.436 119 G N 1.949 110.818 108.800 0.116 0.000 3.581 119 G HA2 0.521 4.481 3.960 -0.000 0.000 0.248 119 G HA3 0.521 4.481 3.960 -0.000 0.000 0.248 119 G C 0.827 175.797 174.900 0.115 0.000 1.037 119 G CA 0.680 45.829 45.100 0.081 0.000 0.902 119 G HN 1.358 nan 8.290 nan 0.000 0.512 120 G N -0.219 108.670 108.800 0.148 0.000 2.775 120 G HA2 0.158 4.118 3.960 -0.000 0.000 0.198 120 G HA3 0.158 4.118 3.960 -0.000 0.000 0.198 120 G C 1.049 176.101 174.900 0.254 0.000 1.121 120 G CA 0.027 45.226 45.100 0.165 0.000 0.686 120 G HN 0.227 nan 8.290 nan 0.000 0.782 121 F N 2.097 122.081 119.950 0.057 0.000 2.456 121 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 121 F C 2.498 178.326 175.800 0.047 0.000 1.104 121 F CA 0.901 58.929 58.000 0.047 0.000 1.435 121 F CB 0.533 39.558 39.000 0.042 0.000 1.078 121 F HN 0.204 nan 8.300 nan 0.000 0.546 122 D N 0.206 120.745 120.400 0.231 0.000 2.194 122 D HA -0.165 4.475 4.640 -0.000 0.000 0.204 122 D C 2.006 178.379 176.300 0.122 0.000 0.964 122 D CA 0.659 54.743 54.000 0.140 0.000 0.846 122 D CB -0.812 40.061 40.800 0.123 0.000 0.962 122 D HN 0.195 nan 8.370 nan 0.000 0.490 123 L N 0.308 121.614 121.223 0.137 0.000 2.465 123 L HA 0.064 4.404 4.340 -0.000 0.000 0.224 123 L C 1.350 178.283 176.870 0.104 0.000 1.145 123 L CA 0.852 55.762 54.840 0.116 0.000 0.834 123 L CB -0.356 41.778 42.059 0.126 0.000 0.944 123 L HN 0.035 nan 8.230 nan 0.000 0.451 124 S N -0.904 114.857 115.700 0.102 0.000 2.506 124 S HA 0.154 4.624 4.470 -0.000 0.000 0.230 124 S C 1.991 176.588 174.600 -0.005 0.000 1.066 124 S CA 0.549 58.773 58.200 0.040 0.000 0.940 124 S CB 0.453 63.657 63.200 0.006 0.000 0.818 124 S HN 0.487 nan 8.310 nan 0.000 0.518 125 A N 1.605 124.423 122.820 -0.003 0.000 1.933 125 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 125 A C 2.045 179.641 177.584 0.021 0.000 1.175 125 A CA 1.268 53.296 52.037 -0.015 0.000 0.628 125 A CB -0.627 18.378 19.000 0.008 0.000 0.814 125 A HN 0.394 nan 8.150 nan 0.000 0.444 126 L N -0.237 121.020 121.223 0.056 0.000 2.027 126 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 126 L C 2.164 179.071 176.870 0.062 0.000 1.074 126 L CA 1.453 56.336 54.840 0.072 0.000 0.745 126 L CB -0.580 41.552 42.059 0.122 0.000 0.898 126 L HN 0.296 nan 8.230 nan 0.000 0.433 127 I N 0.167 120.770 120.570 0.056 0.000 2.069 127 I HA -0.331 3.839 4.170 -0.000 0.000 0.237 127 I C 2.548 178.691 176.117 0.043 0.000 1.053 127 I CA 1.600 62.926 61.300 0.045 0.000 1.311 127 I CB -1.322 36.698 38.000 0.033 0.000 1.030 127 I HN 0.409 nan 8.210 nan 0.000 0.398 128 E N -0.189 120.027 120.200 0.027 0.000 2.171 128 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 128 E C 2.365 179.003 176.600 0.064 0.000 0.997 128 E CA 0.952 57.371 56.400 0.031 0.000 0.810 128 E CB -0.045 29.653 29.700 -0.004 0.000 0.738 128 E HN 0.384 nan 8.360 nan 0.000 0.467 129 R N 0.288 120.822 120.500 0.056 0.000 2.061 129 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 129 R C 2.455 178.845 176.300 0.150 0.000 1.140 129 R CA 1.196 57.345 56.100 0.080 0.000 0.940 129 R CB -0.343 29.992 30.300 0.059 0.000 0.839 129 R HN 0.182 nan 8.270 nan 0.000 0.429 130 I N 1.321 121.961 120.570 0.117 0.000 2.335 130 I HA -0.309 3.861 4.170 -0.000 0.000 0.251 130 I C 2.125 178.309 176.117 0.111 0.000 1.129 130 I CA 1.131 62.502 61.300 0.117 0.000 1.402 130 I CB -0.402 37.642 38.000 0.073 0.000 1.069 130 I HN 0.227 nan 8.210 nan 0.000 0.424 131 N N 0.425 119.184 118.700 0.099 0.000 2.244 131 N HA -0.246 4.494 4.740 -0.000 0.000 0.183 131 N C 1.837 177.397 175.510 0.083 0.000 1.016 131 N CA 1.257 54.352 53.050 0.075 0.000 0.866 131 N CB -0.255 38.268 38.487 0.059 0.000 0.980 131 N HN 0.405 nan 8.380 nan 0.000 0.430 132 Y N 0.632 120.933 120.300 0.002 0.000 2.133 132 Y HA -0.037 4.513 4.550 -0.000 0.000 0.287 132 Y C 2.267 178.154 175.900 -0.022 0.000 1.134 132 Y CA 2.016 60.105 58.100 -0.019 0.000 1.133 132 Y CB -0.682 37.765 38.460 -0.021 0.000 0.987 132 Y HN 0.127 nan 8.280 nan 0.000 0.502 133 A N 0.461 123.376 122.820 0.158 0.000 1.883 133 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 133 A C 2.291 179.934 177.584 0.097 0.000 1.186 133 A CA 2.064 54.143 52.037 0.070 0.000 0.624 133 A CB -1.201 17.873 19.000 0.123 0.000 0.822 133 A HN 0.591 nan 8.150 nan 0.000 0.444 134 I N -0.824 119.789 120.570 0.071 0.000 2.163 134 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 134 I C 2.888 179.007 176.117 0.003 0.000 1.085 134 I CA 1.712 63.045 61.300 0.055 0.000 1.347 134 I CB -0.425 37.599 38.000 0.040 0.000 1.044 134 I HN 0.454 nan 8.210 nan 0.000 0.408 135 Q N 0.475 120.238 119.800 -0.061 0.000 2.084 135 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 135 Q C 2.287 178.165 176.000 -0.204 0.000 0.978 135 Q CA 1.677 57.404 55.803 -0.126 0.000 0.844 135 Q CB -0.079 28.567 28.738 -0.154 0.000 0.898 135 Q HN 0.381 nan 8.270 nan 0.000 0.426 136 K N -0.308 119.901 120.400 -0.318 0.000 2.097 136 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 136 K C 1.100 177.448 176.600 -0.421 0.000 1.050 136 K CA 1.198 57.210 56.287 -0.458 0.000 0.938 136 K CB 0.057 32.141 32.500 -0.693 0.000 0.718 136 K HN 0.184 nan 8.250 nan 0.000 0.442 137 Y N 0.291 120.477 120.300 -0.190 0.000 2.466 137 Y HA 0.262 4.812 4.550 -0.000 0.000 0.272 137 Y C -0.038 175.815 175.900 -0.080 0.000 1.169 137 Y CA -0.027 58.003 58.100 -0.116 0.000 1.285 137 Y CB 0.423 38.837 38.460 -0.076 0.000 1.078 137 Y HN -0.006 nan 8.280 nan 0.000 0.523 138 R N -0.058 120.452 120.500 0.017 0.000 3.336 138 R HA -0.168 4.172 4.340 -0.000 0.000 0.260 138 R C -0.056 176.262 176.300 0.030 0.000 1.032 138 R CA 0.250 56.350 56.100 0.000 0.000 0.693 138 R CB -1.598 28.690 30.300 -0.019 0.000 1.134 138 R HN 0.282 nan 8.270 nan 0.000 0.433 139 A N 0.519 123.371 122.820 0.053 0.000 2.351 139 A HA 0.438 4.758 4.320 -0.000 0.000 0.257 139 A C 1.056 178.650 177.584 0.017 0.000 1.087 139 A CA -0.225 51.838 52.037 0.043 0.000 0.798 139 A CB 0.482 19.518 19.000 0.060 0.000 1.033 139 A HN 0.351 nan 8.150 nan 0.000 0.488 140 R N 0.258 120.757 120.500 -0.001 0.000 2.435 140 R HA 0.170 4.510 4.340 -0.000 0.000 0.221 140 R C -0.044 176.258 176.300 0.004 0.000 0.885 140 R CA 0.475 56.572 56.100 -0.005 0.000 1.018 140 R CB 0.238 30.522 30.300 -0.027 0.000 1.259 140 R HN 0.759 nan 8.270 nan 0.000 0.597 141 R N 0.581 121.064 120.500 -0.028 0.000 2.670 141 R HA 0.647 4.986 4.340 -0.000 0.000 0.289 141 R C -0.968 175.366 176.300 0.058 0.000 0.965 141 R CA -0.675 55.414 56.100 -0.019 0.000 0.899 141 R CB 2.887 32.961 30.300 -0.377 0.000 1.173 141 R HN -0.248 nan 8.270 nan 0.000 0.456 142 V N 1.360 121.389 119.914 0.191 0.000 2.638 142 V HA 0.378 4.498 4.120 -0.000 0.000 0.306 142 V C -0.668 175.537 176.094 0.186 0.000 1.052 142 V CA -0.687 61.699 62.300 0.143 0.000 0.885 142 V CB 2.314 34.188 31.823 0.086 0.000 0.999 142 V HN 0.757 nan 8.190 nan 0.000 0.424 143 S N 4.888 120.636 115.700 0.081 0.000 2.552 143 S HA 0.676 5.146 4.470 -0.000 0.000 0.314 143 S C -0.572 173.860 174.600 -0.281 0.000 1.099 143 S CA -0.363 57.837 58.200 -0.001 0.000 1.070 143 S CB 1.194 64.463 63.200 0.114 0.000 0.998 143 S HN 0.548 nan 8.310 nan 0.000 0.474 144 I N 2.771 123.236 120.570 -0.176 0.000 2.328 144 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 144 I C -0.487 175.544 176.117 -0.143 0.000 1.012 144 I CA -0.512 60.675 61.300 -0.187 0.000 1.195 144 I CB 1.065 39.063 38.000 -0.004 0.000 1.350 144 I HN 0.419 nan 8.210 nan 0.000 0.464 145 D N 5.975 126.215 120.400 -0.266 0.000 2.347 145 D HA 0.202 4.842 4.640 -0.000 0.000 0.235 145 D C 0.064 176.443 176.300 0.133 0.000 1.149 145 D CA 0.380 54.350 54.000 -0.050 0.000 0.850 145 D CB 0.641 41.450 40.800 0.014 0.000 1.061 145 D HN 0.643 nan 8.370 nan 0.000 0.487 146 S N 1.313 117.080 115.700 0.112 0.000 3.634 146 S HA -0.192 4.277 4.470 -0.000 0.000 0.501 146 S C 1.048 175.649 174.600 0.003 0.000 0.789 146 S CA 0.403 58.655 58.200 0.086 0.000 1.378 146 S CB -2.427 60.828 63.200 0.091 0.000 0.896 146 S HN 0.666 nan 8.310 nan 0.000 0.703 147 V N -0.050 119.818 119.914 -0.078 0.000 2.427 147 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 147 V C 2.415 178.169 176.094 -0.567 0.000 1.051 147 V CA 2.088 64.154 62.300 -0.390 0.000 1.048 147 V CB -1.846 29.870 31.823 -0.177 0.000 0.666 147 V HN 0.851 nan 8.190 nan 0.000 0.456 148 T N 2.541 117.004 114.554 -0.152 0.000 2.594 148 T HA -0.309 4.041 4.350 -0.000 0.000 0.266 148 T C 2.082 176.731 174.700 -0.086 0.000 1.070 148 T CA 3.181 65.325 62.100 0.074 0.000 1.166 148 T CB -1.000 67.960 68.868 0.153 0.000 0.862 148 T HN 0.947 nan 8.240 nan 0.000 0.436 149 S N 0.933 116.550 115.700 -0.138 0.000 2.462 149 S HA -0.094 4.376 4.470 -0.000 0.000 0.243 149 S C 2.044 176.470 174.600 -0.291 0.000 1.003 149 S CA 1.064 59.183 58.200 -0.135 0.000 0.970 149 S CB -0.854 62.302 63.200 -0.073 0.000 0.762 149 S HN 0.327 nan 8.310 nan 0.000 0.510 150 V N 1.289 120.816 119.914 -0.644 0.000 2.323 150 V HA 0.015 4.135 4.120 -0.000 0.000 0.244 150 V C 1.733 177.549 176.094 -0.464 0.000 1.041 150 V CA 1.510 63.386 62.300 -0.706 0.000 1.025 150 V CB -0.657 30.492 31.823 -1.123 0.000 0.656 150 V HN 0.641 nan 8.190 nan 0.000 0.451 151 F N -0.728 119.101 119.950 -0.201 0.000 2.811 151 F HA 0.300 4.827 4.527 -0.000 0.000 0.301 151 F C 1.673 177.422 175.800 -0.084 0.000 1.151 151 F CA -0.136 57.770 58.000 -0.158 0.000 1.412 151 F CB -0.824 38.032 39.000 -0.239 0.000 1.113 151 F HN 0.090 nan 8.300 nan 0.000 0.579 152 Q N 1.639 121.508 119.800 0.116 0.000 2.600 152 Q HA 0.035 4.375 4.340 -0.000 0.000 0.276 152 Q C 0.937 176.924 176.000 -0.022 0.000 1.006 152 Q CA 0.325 56.206 55.803 0.129 0.000 0.942 152 Q CB -0.061 28.738 28.738 0.102 0.000 1.383 152 Q HN 0.660 nan 8.270 nan 0.000 0.414 153 Q N -0.466 119.266 119.800 -0.114 0.000 2.431 153 Q HA 0.016 4.356 4.340 -0.000 0.000 0.244 153 Q C -0.577 175.119 176.000 -0.506 0.000 0.880 153 Q CA 0.377 55.912 55.803 -0.446 0.000 0.954 153 Q CB 1.044 29.332 28.738 -0.751 0.000 1.105 153 Q HN 0.500 nan 8.270 nan 0.000 0.558 154 Y N -1.883 118.461 120.300 0.074 0.000 3.379 154 Y HA 0.280 4.830 4.550 -0.000 0.000 0.202 154 Y C -1.717 174.213 175.900 0.050 0.000 0.591 154 Y CA -1.569 56.567 58.100 0.060 0.000 1.126 154 Y CB -1.778 36.705 38.460 0.038 0.000 1.086 154 Y HN -0.144 nan 8.280 nan 0.000 0.525 155 D N 1.470 122.048 120.400 0.298 0.000 2.374 155 D HA 0.892 5.532 4.640 -0.000 0.000 0.239 155 D C -0.514 175.835 176.300 0.083 0.000 0.991 155 D CA -0.446 53.639 54.000 0.141 0.000 0.960 155 D CB 2.011 42.841 40.800 0.051 0.000 1.284 155 D HN 0.564 nan 8.370 nan 0.000 0.512 156 A N 0.102 122.924 122.820 0.004 0.000 2.350 156 A HA 0.521 4.841 4.320 -0.000 0.000 0.324 156 A C 1.250 178.803 177.584 -0.050 0.000 1.118 156 A CA -0.181 51.871 52.037 0.025 0.000 0.783 156 A CB 1.172 20.181 19.000 0.015 0.000 1.236 156 A HN 0.666 nan 8.150 nan 0.000 0.457 157 S N 1.764 117.482 115.700 0.030 0.000 2.461 157 S HA -0.356 4.114 4.470 -0.000 0.000 0.266 157 S C 1.901 176.447 174.600 -0.091 0.000 1.138 157 S CA 2.851 61.050 58.200 -0.002 0.000 1.146 157 S CB -1.378 61.852 63.200 0.051 0.000 1.042 157 S HN 1.876 nan 8.310 nan 0.000 0.448 158 S N 1.473 117.129 115.700 -0.074 0.000 2.402 158 S HA 0.009 4.479 4.470 -0.000 0.000 0.229 158 S C 1.852 176.390 174.600 -0.104 0.000 1.021 158 S CA 0.975 59.128 58.200 -0.078 0.000 0.974 158 S CB -0.922 62.244 63.200 -0.057 0.000 0.800 158 S HN 0.550 nan 8.310 nan 0.000 0.484 159 V N 1.622 121.457 119.914 -0.132 0.000 2.453 159 V HA -0.061 4.058 4.120 -0.000 0.000 0.247 159 V C 2.572 178.526 176.094 -0.234 0.000 1.048 159 V CA 1.194 63.413 62.300 -0.135 0.000 1.049 159 V CB -0.939 30.817 31.823 -0.111 0.000 0.672 159 V HN 0.427 nan 8.190 nan 0.000 0.457 160 V N 0.362 120.008 119.914 -0.447 0.000 2.270 160 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 160 V C 2.603 178.458 176.094 -0.397 0.000 1.043 160 V CA 2.350 64.152 62.300 -0.831 0.000 1.014 160 V CB -0.787 30.321 31.823 -1.192 0.000 0.645 160 V HN 0.476 nan 8.190 nan 0.000 0.447 161 R N -0.045 120.329 120.500 -0.210 0.000 2.103 161 R HA -0.204 4.135 4.340 -0.000 0.000 0.242 161 R C 2.517 178.834 176.300 0.028 0.000 1.142 161 R CA 1.855 57.923 56.100 -0.054 0.000 0.960 161 R CB -0.219 30.061 30.300 -0.034 0.000 0.858 161 R HN 0.399 nan 8.270 nan 0.000 0.439 162 R N -0.156 120.347 120.500 0.005 0.000 2.066 162 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 162 R C 2.232 178.623 176.300 0.151 0.000 1.131 162 R CA 1.500 57.654 56.100 0.089 0.000 0.955 162 R CB -0.070 30.256 30.300 0.043 0.000 0.851 162 R HN 0.274 nan 8.270 nan 0.000 0.432 163 E N 0.854 121.110 120.200 0.094 0.000 2.051 163 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 163 E C 2.144 178.853 176.600 0.180 0.000 0.991 163 E CA 0.904 57.396 56.400 0.153 0.000 0.799 163 E CB -0.293 29.536 29.700 0.215 0.000 0.748 163 E HN 0.334 nan 8.360 nan 0.000 0.449 164 L N 0.054 121.388 121.223 0.186 0.000 1.955 164 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 164 L C 2.552 179.503 176.870 0.135 0.000 1.072 164 L CA 1.645 56.595 54.840 0.183 0.000 0.755 164 L CB -0.570 41.587 42.059 0.164 0.000 0.888 164 L HN 0.088 nan 8.230 nan 0.000 0.432 165 F N 0.891 120.873 119.950 0.053 0.000 2.063 165 F HA -0.347 4.180 4.527 -0.000 0.000 0.298 165 F C 2.867 178.698 175.800 0.050 0.000 1.105 165 F CA 2.227 60.255 58.000 0.046 0.000 1.215 165 F CB -0.478 38.542 39.000 0.032 0.000 0.972 165 F HN -0.004 nan 8.300 nan 0.000 0.483 166 R N 0.119 120.622 120.500 0.005 0.000 2.094 166 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 166 R C 2.293 178.518 176.300 -0.124 0.000 1.137 166 R CA 2.179 58.234 56.100 -0.075 0.000 0.943 166 R CB -0.939 29.400 30.300 0.066 0.000 0.850 166 R HN 0.460 nan 8.270 nan 0.000 0.433 167 L N 0.797 121.999 121.223 -0.036 0.000 1.955 167 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 167 L C 2.343 179.173 176.870 -0.065 0.000 1.072 167 L CA 1.713 56.541 54.840 -0.020 0.000 0.755 167 L CB -0.813 41.268 42.059 0.036 0.000 0.888 167 L HN 0.086 nan 8.230 nan 0.000 0.432 168 V N 0.391 120.257 119.914 -0.079 0.000 2.250 168 V HA -0.425 3.695 4.120 -0.000 0.000 0.253 168 V C 2.823 178.824 176.094 -0.155 0.000 1.065 168 V CA 2.145 64.390 62.300 -0.092 0.000 1.039 168 V CB -1.519 30.257 31.823 -0.079 0.000 0.647 168 V HN 0.702 nan 8.190 nan 0.000 0.446 169 A N -0.449 122.183 122.820 -0.315 0.000 1.873 169 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 169 A C 2.333 179.820 177.584 -0.163 0.000 1.193 169 A CA 1.984 53.821 52.037 -0.333 0.000 0.629 169 A CB -0.554 18.073 19.000 -0.621 0.000 0.826 169 A HN 0.433 nan 8.150 nan 0.000 0.447 170 R N -0.626 119.798 120.500 -0.127 0.000 2.081 170 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 170 R C 2.143 178.421 176.300 -0.037 0.000 1.131 170 R CA 1.263 57.327 56.100 -0.060 0.000 0.960 170 R CB -1.034 29.246 30.300 -0.034 0.000 0.856 170 R HN 0.610 nan 8.270 nan 0.000 0.436 171 L N 0.639 121.840 121.223 -0.037 0.000 2.046 171 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 171 L C 2.679 179.541 176.870 -0.013 0.000 1.077 171 L CA 1.444 56.276 54.840 -0.013 0.000 0.747 171 L CB -0.345 41.710 42.059 -0.007 0.000 0.896 171 L HN 0.151 nan 8.230 nan 0.000 0.432 172 K N -0.387 119.995 120.400 -0.029 0.000 2.057 172 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 172 K C 2.129 178.721 176.600 -0.014 0.000 1.049 172 K CA 1.337 57.612 56.287 -0.019 0.000 0.931 172 K CB 0.054 32.535 32.500 -0.031 0.000 0.714 172 K HN 0.362 nan 8.250 nan 0.000 0.440 173 Q N 0.399 120.186 119.800 -0.021 0.000 2.002 173 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 173 Q C 1.977 177.974 176.000 -0.005 0.000 0.988 173 Q CA 1.467 57.263 55.803 -0.012 0.000 0.843 173 Q CB -0.197 28.532 28.738 -0.014 0.000 0.908 173 Q HN 0.286 nan 8.270 nan 0.000 0.420 174 I N -0.147 120.421 120.570 -0.004 0.000 2.479 174 I HA -0.209 3.961 4.170 -0.000 0.000 0.258 174 I C 1.626 177.745 176.117 0.003 0.000 1.165 174 I CA 1.905 63.206 61.300 0.002 0.000 1.422 174 I CB -1.702 36.303 38.000 0.008 0.000 1.087 174 I HN 0.610 nan 8.210 nan 0.000 0.441 175 G N 0.198 109.000 108.800 0.004 0.000 2.157 175 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.239 175 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.239 175 G C 0.504 175.413 174.900 0.014 0.000 0.982 175 G CA 0.211 45.315 45.100 0.006 0.000 0.650 175 G HN 0.782 nan 8.290 nan 0.000 0.527 176 A N 0.211 123.044 122.820 0.021 0.000 2.388 176 A HA 0.694 5.013 4.320 -0.000 0.000 0.257 176 A C 0.631 178.248 177.584 0.055 0.000 1.095 176 A CA 0.927 52.987 52.037 0.038 0.000 0.791 176 A CB 0.475 19.500 19.000 0.042 0.000 1.029 176 A HN 0.773 nan 8.150 nan 0.000 0.489 177 T N 2.824 117.432 114.554 0.090 0.000 2.733 177 T HA 0.502 4.852 4.350 -0.000 0.000 0.294 177 T C 0.033 174.843 174.700 0.184 0.000 0.956 177 T CA -0.010 62.166 62.100 0.126 0.000 0.987 177 T CB 0.628 69.598 68.868 0.170 0.000 0.920 177 T HN 0.651 nan 8.240 nan 0.000 0.470 178 T N 2.474 117.085 114.554 0.096 0.000 2.918 178 T HA 0.589 4.939 4.350 -0.000 0.000 0.286 178 T C -0.357 174.323 174.700 -0.033 0.000 1.026 178 T CA -0.636 61.511 62.100 0.079 0.000 1.031 178 T CB 1.659 70.551 68.868 0.041 0.000 1.046 178 T HN 0.300 nan 8.240 nan 0.000 0.479 179 V N 3.331 123.225 119.914 -0.033 0.000 2.407 179 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 179 V C -0.540 175.533 176.094 -0.036 0.000 1.018 179 V CA -0.591 61.637 62.300 -0.119 0.000 0.842 179 V CB 1.346 33.051 31.823 -0.197 0.000 0.996 179 V HN 0.832 nan 8.190 nan 0.000 0.426 180 M N 3.364 122.940 119.600 -0.039 0.000 2.311 180 M HA 0.439 4.919 4.480 -0.000 0.000 0.325 180 M C -0.162 176.131 176.300 -0.011 0.000 1.061 180 M CA -0.164 55.130 55.300 -0.010 0.000 0.957 180 M CB 2.271 34.876 32.600 0.009 0.000 1.646 180 M HN 0.519 nan 8.290 nan 0.000 0.434 181 T N 2.007 116.567 114.554 0.010 0.000 2.875 181 T HA 0.673 5.022 4.350 -0.000 0.000 0.284 181 T C -0.568 174.151 174.700 0.032 0.000 0.995 181 T CA -0.168 61.942 62.100 0.017 0.000 1.060 181 T CB 0.993 69.887 68.868 0.044 0.000 0.967 181 T HN 0.703 nan 8.240 nan 0.000 0.476 182 T N 2.974 117.543 114.554 0.026 0.000 2.900 182 T HA 0.444 4.794 4.350 -0.000 0.000 0.303 182 T C -1.004 173.719 174.700 0.037 0.000 1.142 182 T CA -1.102 61.027 62.100 0.049 0.000 1.007 182 T CB 1.660 70.564 68.868 0.060 0.000 1.156 182 T HN 0.646 nan 8.240 nan 0.000 0.490 183 E N 1.431 121.660 120.200 0.049 0.000 2.222 183 E HA 0.741 5.091 4.350 -0.000 0.000 0.272 183 E C -0.774 175.829 176.600 0.006 0.000 0.982 183 E CA -1.153 55.263 56.400 0.027 0.000 0.842 183 E CB 1.773 31.491 29.700 0.031 0.000 1.144 183 E HN 0.459 nan 8.360 nan 0.000 0.397 184 R N 0.925 121.417 120.500 -0.012 0.000 2.771 184 R HA 0.408 4.748 4.340 -0.000 0.000 0.274 184 R C 0.485 176.765 176.300 -0.033 0.000 0.987 184 R CA -0.772 55.311 56.100 -0.030 0.000 0.908 184 R CB 1.222 31.500 30.300 -0.037 0.000 1.213 184 R HN 0.489 nan 8.270 nan 0.000 0.468 185 I N -1.262 119.285 120.570 -0.039 0.000 3.708 185 I HA 0.170 4.340 4.170 -0.000 0.000 0.302 185 I C 0.352 176.450 176.117 -0.031 0.000 1.255 185 I CA 0.522 61.802 61.300 -0.033 0.000 1.362 185 I CB -0.219 37.761 38.000 -0.033 0.000 1.100 185 I HN 0.541 nan 8.210 nan 0.000 0.434 186 E N 1.982 122.161 120.200 -0.034 0.000 2.171 186 E HA 0.178 4.528 4.350 -0.000 0.000 0.271 186 E C 0.315 176.871 176.600 -0.072 0.000 0.916 186 E CA -0.116 56.266 56.400 -0.029 0.000 0.774 186 E CB 2.497 32.196 29.700 -0.002 0.000 1.128 186 E HN -0.031 nan 8.360 nan 0.000 0.403 187 E N 2.366 122.496 120.200 -0.117 0.000 2.153 187 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 187 E C 0.322 176.597 176.600 -0.542 0.000 0.988 187 E CA 1.398 57.613 56.400 -0.308 0.000 0.811 187 E CB 0.015 29.506 29.700 -0.349 0.000 0.746 187 E HN 0.517 nan 8.360 nan 0.000 0.466 188 Y N -1.969 118.333 120.300 0.003 0.000 2.641 188 Y HA 0.377 4.927 4.550 -0.000 0.000 0.248 188 Y C 1.134 177.036 175.900 0.003 0.000 1.170 188 Y CA -0.333 57.769 58.100 0.003 0.000 1.201 188 Y CB 0.994 39.456 38.460 0.003 0.000 1.232 188 Y HN 0.024 nan 8.280 nan 0.000 0.537 189 G N 1.340 110.191 108.800 0.086 0.000 3.086 189 G HA2 0.163 4.123 3.960 -0.000 0.000 0.159 189 G HA3 0.163 4.123 3.960 -0.000 0.000 0.159 189 G C -1.915 173.013 174.900 0.046 0.000 1.654 189 G CA -0.579 44.559 45.100 0.064 0.000 1.078 189 G HN -0.077 nan 8.290 nan 0.000 0.558 190 P HA 0.147 nan 4.420 nan 0.000 0.270 190 P C 0.475 177.779 177.300 0.007 0.000 1.223 190 P CA -0.449 62.669 63.100 0.029 0.000 0.785 190 P CB 1.151 32.865 31.700 0.023 0.000 0.923 191 I N 0.529 121.097 120.570 -0.003 0.000 2.179 191 I HA -0.081 4.089 4.170 -0.000 0.000 0.242 191 I C 1.475 177.577 176.117 -0.025 0.000 1.088 191 I CA 1.253 62.533 61.300 -0.033 0.000 1.357 191 I CB -1.445 36.501 38.000 -0.090 0.000 1.051 191 I HN 0.505 nan 8.210 nan 0.000 0.409 192 A N -1.494 121.322 122.820 -0.005 0.000 2.530 192 A HA 0.541 4.861 4.320 -0.000 0.000 0.288 192 A C 1.190 178.771 177.584 -0.006 0.000 1.172 192 A CA -0.601 51.441 52.037 0.010 0.000 0.733 192 A CB 0.793 19.821 19.000 0.046 0.000 1.320 192 A HN 0.030 nan 8.150 nan 0.000 0.419 193 R N -0.861 119.615 120.500 -0.040 0.000 2.143 193 R HA -0.226 4.114 4.340 -0.000 0.000 0.239 193 R C 0.901 176.985 176.300 -0.360 0.000 1.126 193 R CA 2.694 58.650 56.100 -0.240 0.000 0.927 193 R CB -0.556 29.490 30.300 -0.422 0.000 0.860 193 R HN 0.769 nan 8.270 nan 0.000 0.433 194 Y N -0.173 120.138 120.300 0.018 0.000 2.502 194 Y HA 0.176 4.726 4.550 -0.000 0.000 0.295 194 Y C 1.440 177.352 175.900 0.019 0.000 1.193 194 Y CA 0.386 58.483 58.100 -0.006 0.000 1.295 194 Y CB 0.001 38.419 38.460 -0.070 0.000 1.059 194 Y HN 0.368 nan 8.280 nan 0.000 0.514 195 G N 0.190 109.056 108.800 0.111 0.000 2.361 195 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.294 195 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.294 195 G C 0.645 175.686 174.900 0.235 0.000 1.004 195 G CA 0.928 46.117 45.100 0.149 0.000 0.870 195 G HN 0.384 nan 8.290 nan 0.000 0.510 196 V N -1.468 118.581 119.914 0.226 0.000 3.431 196 V HA 0.102 4.222 4.120 -0.000 0.000 0.255 196 V C 2.166 178.390 176.094 0.217 0.000 1.403 196 V CA 1.473 63.913 62.300 0.234 0.000 1.101 196 V CB 0.536 32.431 31.823 0.120 0.000 0.891 196 V HN 0.348 nan 8.190 nan 0.000 0.446 197 E N 0.912 121.203 120.200 0.152 0.000 2.110 197 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 197 E C 1.848 178.468 176.600 0.033 0.000 0.988 197 E CA 1.297 57.761 56.400 0.106 0.000 0.804 197 E CB -0.198 29.566 29.700 0.106 0.000 0.745 197 E HN 0.592 nan 8.360 nan 0.000 0.458 198 E N -0.267 119.886 120.200 -0.079 0.000 2.114 198 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 198 E C 1.294 177.622 176.600 -0.455 0.000 1.008 198 E CA 1.510 57.669 56.400 -0.401 0.000 0.810 198 E CB -0.227 28.890 29.700 -0.971 0.000 0.739 198 E HN 0.368 nan 8.360 nan 0.000 0.456 199 F N -1.644 118.327 119.950 0.034 0.000 2.714 199 F HA 0.090 4.617 4.527 -0.000 0.000 0.294 199 F C 1.808 177.639 175.800 0.051 0.000 1.120 199 F CA -0.002 58.017 58.000 0.032 0.000 1.398 199 F CB 0.207 39.218 39.000 0.019 0.000 1.120 199 F HN -0.140 nan 8.300 nan 0.000 0.589 200 V N -1.010 119.023 119.914 0.198 0.000 3.041 200 V HA -0.039 4.081 4.120 -0.000 0.000 0.260 200 V C 0.871 177.055 176.094 0.150 0.000 1.105 200 V CA 0.647 63.066 62.300 0.198 0.000 1.125 200 V CB -0.661 31.286 31.823 0.206 0.000 0.730 200 V HN 0.106 nan 8.190 nan 0.000 0.479 201 S N -0.059 115.689 115.700 0.080 0.000 2.654 201 S HA 0.251 4.721 4.470 -0.000 0.000 0.283 201 S C 0.766 175.384 174.600 0.030 0.000 1.180 201 S CA -0.626 57.599 58.200 0.041 0.000 1.021 201 S CB 1.413 64.614 63.200 0.002 0.000 1.018 201 S HN 0.345 nan 8.310 nan 0.000 0.532 202 D N 0.992 121.404 120.400 0.019 0.000 2.162 202 D HA 0.021 4.661 4.640 -0.000 0.000 0.203 202 D C -0.099 176.193 176.300 -0.013 0.000 0.967 202 D CA 1.034 55.043 54.000 0.015 0.000 0.840 202 D CB 0.133 40.942 40.800 0.015 0.000 0.972 202 D HN 0.451 nan 8.370 nan 0.000 0.482 203 N N 0.195 118.874 118.700 -0.034 0.000 2.229 203 N HA 0.365 5.104 4.740 -0.000 0.000 0.298 203 N C -1.000 174.459 175.510 -0.084 0.000 1.114 203 N CA -0.447 52.563 53.050 -0.066 0.000 0.776 203 N CB 3.222 41.672 38.487 -0.061 0.000 1.501 203 N HN -0.252 nan 8.380 nan 0.000 0.474 204 V N 1.076 120.923 119.914 -0.112 0.000 2.638 204 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 204 V C -0.456 175.563 176.094 -0.126 0.000 1.052 204 V CA -0.748 61.481 62.300 -0.118 0.000 0.885 204 V CB 2.174 33.920 31.823 -0.128 0.000 0.999 204 V HN 0.399 nan 8.190 nan 0.000 0.424 205 V N 5.915 125.750 119.914 -0.133 0.000 2.487 205 V HA 0.555 4.675 4.120 -0.000 0.000 0.298 205 V C -0.432 175.583 176.094 -0.132 0.000 1.028 205 V CA -0.434 61.784 62.300 -0.137 0.000 0.860 205 V CB 1.964 33.654 31.823 -0.220 0.000 0.991 205 V HN 0.716 nan 8.190 nan 0.000 0.427 206 I N 5.607 126.130 120.570 -0.079 0.000 2.339 206 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 206 I C -0.462 175.643 176.117 -0.019 0.000 0.994 206 I CA -0.359 60.907 61.300 -0.057 0.000 1.191 206 I CB 1.430 39.411 38.000 -0.032 0.000 1.343 206 I HN 0.327 nan 8.210 nan 0.000 0.458 207 L N 7.109 128.320 121.223 -0.020 0.000 2.276 207 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 207 L C 0.142 177.052 176.870 0.067 0.000 1.061 207 L CA -0.396 54.495 54.840 0.086 0.000 0.807 207 L CB 0.747 42.860 42.059 0.090 0.000 1.177 207 L HN 0.583 nan 8.230 nan 0.000 0.429 208 R N 2.307 122.860 120.500 0.089 0.000 2.832 208 R HA 0.375 4.715 4.340 -0.000 0.000 0.271 208 R C -0.528 175.754 176.300 -0.030 0.000 0.996 208 R CA -0.696 55.386 56.100 -0.030 0.000 0.977 208 R CB 2.118 32.349 30.300 -0.114 0.000 1.168 208 R HN 0.565 nan 8.270 nan 0.000 0.482 209 N N 1.557 120.213 118.700 -0.072 0.000 2.750 209 N HA 0.141 4.881 4.740 -0.000 0.000 0.253 209 N C -1.249 174.220 175.510 -0.069 0.000 1.408 209 N CA -0.183 52.823 53.050 -0.074 0.000 0.780 209 N CB 1.110 39.565 38.487 -0.053 0.000 1.191 209 N HN 0.146 nan 8.380 nan 0.000 0.511 210 V N 3.316 123.194 119.914 -0.059 0.000 2.637 210 V HA 0.035 4.155 4.120 -0.000 0.000 0.296 210 V C 1.316 177.408 176.094 -0.003 0.000 1.046 210 V CA -0.248 62.037 62.300 -0.025 0.000 1.066 210 V CB 1.197 33.042 31.823 0.037 0.000 0.968 210 V HN 0.554 nan 8.190 nan 0.000 0.483 211 L N 3.491 124.719 121.223 0.007 0.000 1.883 211 L HA 0.176 4.516 4.340 -0.000 0.000 0.221 211 L C 1.315 178.198 176.870 0.021 0.000 1.122 211 L CA 1.621 56.467 54.840 0.009 0.000 1.006 211 L CB -0.733 41.332 42.059 0.010 0.000 0.960 211 L HN 1.064 nan 8.230 nan 0.000 0.533 212 E N -0.173 120.044 120.200 0.028 0.000 4.675 212 E HA -0.182 4.168 4.350 -0.000 0.000 0.163 212 E C 0.443 177.050 176.600 0.012 0.000 1.720 212 E CA 0.726 57.141 56.400 0.026 0.000 1.052 212 E CB -1.627 28.096 29.700 0.038 0.000 1.047 212 E HN 1.161 nan 8.360 nan 0.000 0.344 213 G N 4.213 113.017 108.800 0.007 0.000 2.198 213 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 213 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 213 G C 0.484 175.382 174.900 -0.003 0.000 1.042 213 G CA 0.999 46.099 45.100 -0.000 0.000 0.791 213 G HN 0.853 nan 8.290 nan 0.000 0.502 214 E N -2.930 117.268 120.200 -0.003 0.000 3.916 214 E HA -0.232 4.118 4.350 -0.000 0.000 0.331 214 E C 0.987 177.582 176.600 -0.008 0.000 0.729 214 E CA 1.541 57.937 56.400 -0.006 0.000 1.222 214 E CB -0.625 29.069 29.700 -0.010 0.000 1.633 214 E HN 0.617 nan 8.360 nan 0.000 0.437 215 R N 0.639 121.135 120.500 -0.007 0.000 2.758 215 R HA 0.515 4.855 4.340 -0.000 0.000 0.265 215 R C 0.247 176.540 176.300 -0.012 0.000 1.016 215 R CA -0.634 55.460 56.100 -0.010 0.000 1.040 215 R CB 0.931 31.227 30.300 -0.007 0.000 1.152 215 R HN -0.034 nan 8.270 nan 0.000 0.503 216 R N 1.264 121.751 120.500 -0.021 0.000 2.599 216 R HA 0.406 4.746 4.340 -0.000 0.000 0.295 216 R C -0.373 175.903 176.300 -0.041 0.000 0.963 216 R CA -0.762 55.321 56.100 -0.029 0.000 0.883 216 R CB 2.532 32.810 30.300 -0.036 0.000 1.171 216 R HN 0.502 nan 8.270 nan 0.000 0.450 217 R N 2.961 123.436 120.500 -0.042 0.000 2.439 217 R HA 0.349 4.689 4.340 -0.000 0.000 0.310 217 R C -0.689 175.551 176.300 -0.099 0.000 0.955 217 R CA -0.672 55.397 56.100 -0.052 0.000 0.853 217 R CB 1.199 31.495 30.300 -0.007 0.000 1.171 217 R HN 0.585 nan 8.270 nan 0.000 0.449 218 R N 2.359 122.730 120.500 -0.216 0.000 2.368 218 R HA 0.394 4.734 4.340 -0.000 0.000 0.302 218 R C -0.648 175.512 176.300 -0.233 0.000 1.002 218 R CA -0.748 55.120 56.100 -0.386 0.000 0.929 218 R CB 1.565 31.286 30.300 -0.965 0.000 1.073 218 R HN 0.693 nan 8.270 nan 0.000 0.464 219 T N -0.223 114.358 114.554 0.046 0.000 2.903 219 T HA 0.538 4.888 4.350 -0.000 0.000 0.299 219 T C -0.651 174.344 174.700 0.491 0.000 1.093 219 T CA -1.027 61.251 62.100 0.297 0.000 1.002 219 T CB 1.689 70.656 68.868 0.166 0.000 1.127 219 T HN 0.568 nan 8.240 nan 0.000 0.488 220 L N 0.909 122.422 121.223 0.483 0.000 2.362 220 L HA 0.836 5.176 4.340 -0.000 0.000 0.271 220 L C -0.713 176.298 176.870 0.235 0.000 1.002 220 L CA -0.557 54.453 54.840 0.285 0.000 0.818 220 L CB 1.817 43.946 42.059 0.116 0.000 1.298 220 L HN 1.027 nan 8.230 nan 0.000 0.420 221 E N 4.568 124.852 120.200 0.141 0.000 2.292 221 E HA 0.425 4.775 4.350 -0.000 0.000 0.272 221 E C -1.607 175.027 176.600 0.058 0.000 0.881 221 E CA -0.718 55.764 56.400 0.137 0.000 0.754 221 E CB 1.965 31.726 29.700 0.102 0.000 1.201 221 E HN 0.687 nan 8.360 nan 0.000 0.425 222 I N 6.356 126.948 120.570 0.037 0.000 2.297 222 I HA 0.096 4.266 4.170 -0.000 0.000 0.291 222 I C 1.029 177.068 176.117 -0.131 0.000 1.033 222 I CA -0.322 60.902 61.300 -0.127 0.000 1.253 222 I CB 1.078 38.892 38.000 -0.312 0.000 1.396 222 I HN 0.697 nan 8.210 nan 0.000 0.476 223 L N 6.592 127.747 121.223 -0.114 0.000 2.127 223 L HA 0.084 4.424 4.340 -0.000 0.000 0.203 223 L C 0.832 177.659 176.870 -0.072 0.000 1.080 223 L CA 1.292 56.102 54.840 -0.049 0.000 0.768 223 L CB 0.106 42.132 42.059 -0.055 0.000 0.924 223 L HN 0.645 nan 8.230 nan 0.000 0.444 224 K N -0.790 119.501 120.400 -0.182 0.000 2.556 224 K HA 0.493 4.813 4.320 -0.000 0.000 0.274 224 K C -1.653 174.811 176.600 -0.227 0.000 0.966 224 K CA -0.773 55.426 56.287 -0.145 0.000 0.865 224 K CB 1.983 34.457 32.500 -0.043 0.000 1.444 224 K HN -0.019 nan 8.250 nan 0.000 0.433 225 L N 2.726 123.876 121.223 -0.122 0.000 2.617 225 L HA 0.385 4.725 4.340 -0.000 0.000 0.259 225 L C -0.664 176.216 176.870 0.017 0.000 0.995 225 L CA -0.745 54.054 54.840 -0.068 0.000 0.899 225 L CB 1.882 43.899 42.059 -0.070 0.000 1.181 225 L HN 0.664 nan 8.230 nan 0.000 0.437 226 R N 1.746 122.253 120.500 0.013 0.000 2.473 226 R HA 0.259 4.599 4.340 -0.000 0.000 0.315 226 R C 1.135 177.454 176.300 0.031 0.000 0.972 226 R CA 1.275 57.393 56.100 0.030 0.000 1.047 226 R CB 0.323 30.642 30.300 0.031 0.000 0.932 226 R HN 0.944 nan 8.270 nan 0.000 0.411 227 G N 1.771 110.592 108.800 0.035 0.000 2.307 227 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.210 227 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.210 227 G C 0.152 175.068 174.900 0.028 0.000 1.005 227 G CA 0.011 45.127 45.100 0.027 0.000 0.634 227 G HN 0.689 nan 8.290 nan 0.000 0.496 228 T N -0.899 113.685 114.554 0.049 0.000 2.831 228 T HA 0.799 5.149 4.350 -0.000 0.000 0.287 228 T C 0.340 175.090 174.700 0.084 0.000 1.070 228 T CA 0.484 62.620 62.100 0.060 0.000 1.010 228 T CB 1.730 70.641 68.868 0.071 0.000 1.264 228 T HN 1.353 nan 8.240 nan 0.000 0.532 229 S N -0.227 115.519 115.700 0.076 0.000 2.690 229 S HA 0.883 5.353 4.470 -0.000 0.000 0.285 229 S C -0.414 174.094 174.600 -0.154 0.000 1.135 229 S CA -0.440 57.744 58.200 -0.026 0.000 1.020 229 S CB 0.230 63.450 63.200 0.033 0.000 1.159 229 S HN 1.510 nan 8.310 nan 0.000 0.534 230 H N -3.272 115.454 119.070 -0.574 0.000 2.883 230 H HA 0.380 4.936 4.556 -0.000 0.000 0.266 230 H C -1.462 173.468 175.328 -0.663 0.000 1.446 230 H CA -1.099 54.337 56.048 -1.020 0.000 1.179 230 H CB -0.022 29.468 29.762 -0.454 0.000 1.806 230 H HN 0.606 nan 8.280 nan 0.000 0.467 231 M N 1.352 120.751 119.600 -0.336 0.000 2.211 231 M HA 0.330 4.810 4.480 -0.000 0.000 0.356 231 M C -0.592 175.816 176.300 0.180 0.000 1.216 231 M CA -0.173 55.095 55.300 -0.054 0.000 1.134 231 M CB 0.945 33.481 32.600 -0.107 0.000 1.564 231 M HN 0.442 nan 8.290 nan 0.000 0.463 232 K N 1.224 121.720 120.400 0.161 0.000 2.118 232 K HA 0.797 5.117 4.320 -0.000 0.000 0.254 232 K C 0.125 176.857 176.600 0.221 0.000 0.961 232 K CA 0.227 56.620 56.287 0.177 0.000 0.876 232 K CB 1.695 34.221 32.500 0.044 0.000 1.077 232 K HN 0.859 nan 8.250 nan 0.000 0.440 233 G N 0.976 109.860 108.800 0.140 0.000 2.660 233 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.247 233 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.247 233 G C -1.169 173.697 174.900 -0.057 0.000 1.328 233 G CA -0.845 44.261 45.100 0.009 0.000 0.884 233 G HN 0.516 nan 8.290 nan 0.000 0.531 234 E N -0.512 119.567 120.200 -0.201 0.000 2.301 234 E HA 0.554 4.904 4.350 -0.000 0.000 0.275 234 E C -1.107 175.172 176.600 -0.536 0.000 1.030 234 E CA -0.128 56.174 56.400 -0.163 0.000 0.852 234 E CB 1.089 30.772 29.700 -0.028 0.000 1.060 234 E HN 0.405 nan 8.360 nan 0.000 0.401 235 Y N 1.931 122.331 120.300 0.166 0.000 2.406 235 Y HA 0.258 4.808 4.550 -0.000 0.000 0.340 235 Y C -2.191 173.883 175.900 0.290 0.000 0.975 235 Y CA -2.721 55.499 58.100 0.201 0.000 1.056 235 Y CB 1.743 40.306 38.460 0.173 0.000 1.210 235 Y HN 0.385 nan 8.280 nan 0.000 0.448 236 P HA 0.188 nan 4.420 nan 0.000 0.276 236 P C -1.040 176.618 177.300 0.596 0.000 1.230 236 P CA 0.218 63.545 63.100 0.378 0.000 0.776 236 P CB 0.795 32.664 31.700 0.282 0.000 0.888 237 F N -0.386 119.748 119.950 0.307 0.000 2.715 237 F HA 0.814 5.341 4.527 -0.000 0.000 0.318 237 F C -1.360 174.600 175.800 0.266 0.000 1.141 237 F CA -0.879 57.290 58.000 0.282 0.000 0.950 237 F CB 1.245 40.348 39.000 0.171 0.000 1.374 237 F HN 0.139 nan 8.300 nan 0.000 0.477 238 T N 2.069 116.939 114.554 0.527 0.000 2.912 238 T HA 0.572 4.922 4.350 -0.000 0.000 0.299 238 T C -0.871 174.039 174.700 0.351 0.000 1.052 238 T CA -0.514 61.762 62.100 0.294 0.000 0.996 238 T CB 1.820 70.880 68.868 0.320 0.000 1.070 238 T HN 0.612 nan 8.240 nan 0.000 0.465 239 I N 3.318 124.028 120.570 0.234 0.000 2.321 239 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 239 I C 1.032 177.260 176.117 0.185 0.000 0.998 239 I CA -0.440 60.999 61.300 0.231 0.000 1.227 239 I CB 1.307 39.439 38.000 0.221 0.000 1.368 239 I HN 0.796 nan 8.210 nan 0.000 0.466 240 T N 0.108 114.770 114.554 0.181 0.000 2.644 240 T HA 0.268 4.618 4.350 -0.000 0.000 0.253 240 T C 0.592 175.380 174.700 0.146 0.000 0.910 240 T CA -0.548 61.635 62.100 0.139 0.000 1.066 240 T CB 1.306 70.253 68.868 0.132 0.000 1.484 240 T HN 0.418 nan 8.240 nan 0.000 0.560 241 D N 0.022 120.390 120.400 -0.053 0.000 2.363 241 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 241 D C 0.812 176.972 176.300 -0.234 0.000 0.994 241 D CA 0.703 54.585 54.000 -0.197 0.000 0.890 241 D CB -0.036 40.522 40.800 -0.403 0.000 0.906 241 D HN 0.486 nan 8.370 nan 0.000 0.530 242 H N -0.599 118.575 119.070 0.172 0.000 2.592 242 H HA 0.348 4.904 4.556 -0.000 0.000 0.279 242 H C 1.523 176.929 175.328 0.130 0.000 1.089 242 H CA 0.527 56.670 56.048 0.160 0.000 1.150 242 H CB 0.919 30.767 29.762 0.144 0.000 1.575 242 H HN 0.101 nan 8.280 nan 0.000 0.547 243 G N 1.081 109.901 108.800 0.034 0.000 2.508 243 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 243 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 243 G C -0.297 174.593 174.900 -0.017 0.000 1.287 243 G CA -0.413 44.542 45.100 -0.241 0.000 0.916 243 G HN 0.181 nan 8.290 nan 0.000 0.574 244 I N 1.462 122.024 120.570 -0.013 0.000 2.529 244 I HA 0.387 4.557 4.170 -0.000 0.000 0.284 244 I C 0.370 176.515 176.117 0.048 0.000 1.082 244 I CA 0.017 61.350 61.300 0.055 0.000 1.406 244 I CB 1.208 39.168 38.000 -0.067 0.000 1.405 244 I HN 0.550 nan 8.210 nan 0.000 0.548 245 N N 6.353 125.113 118.700 0.100 0.000 2.480 245 N HA 0.557 5.297 4.740 -0.000 0.000 0.289 245 N C -1.365 174.021 175.510 -0.207 0.000 1.073 245 N CA -0.416 52.592 53.050 -0.070 0.000 0.885 245 N CB 1.131 39.585 38.487 -0.055 0.000 1.421 245 N HN 0.361 nan 8.380 nan 0.000 0.503 246 I N 2.611 122.996 120.570 -0.308 0.000 2.441 246 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 246 I C -0.890 174.952 176.117 -0.458 0.000 0.994 246 I CA -0.817 60.351 61.300 -0.220 0.000 1.144 246 I CB 1.307 39.305 38.000 -0.003 0.000 1.314 246 I HN 0.380 nan 8.210 nan 0.000 0.445 247 F N 5.592 125.661 119.950 0.198 0.000 2.325 247 F HA 0.406 4.933 4.527 -0.000 0.000 0.369 247 F C -2.256 173.650 175.800 0.177 0.000 1.095 247 F CA -2.426 55.666 58.000 0.153 0.000 1.082 247 F CB 0.809 39.896 39.000 0.145 0.000 1.289 247 F HN 0.195 nan 8.300 nan 0.000 0.462 248 P HA 0.206 nan 4.420 nan 0.000 0.238 248 P C 0.820 178.241 177.300 0.202 0.000 1.794 248 P CA 0.053 63.191 63.100 0.064 0.000 1.088 248 P CB 0.190 31.808 31.700 -0.138 0.000 1.923 249 L N 0.066 121.484 121.223 0.324 0.000 2.349 249 L HA -0.083 4.257 4.340 -0.000 0.000 0.220 249 L C 2.026 179.002 176.870 0.176 0.000 1.130 249 L CA 1.481 56.452 54.840 0.219 0.000 0.791 249 L CB -0.645 41.522 42.059 0.179 0.000 0.918 249 L HN 0.348 nan 8.230 nan 0.000 0.444 250 G N -1.213 107.735 108.800 0.246 0.000 3.126 250 G HA2 0.271 4.230 3.960 -0.000 0.000 0.224 250 G HA3 0.271 4.230 3.960 -0.000 0.000 0.224 250 G C 1.268 176.244 174.900 0.127 0.000 1.142 250 G CA 0.527 45.740 45.100 0.189 0.000 0.759 250 G HN 0.358 nan 8.290 nan 0.000 0.550 251 A N -0.013 122.864 122.820 0.095 0.000 2.348 251 A HA 0.506 4.826 4.320 -0.000 0.000 0.224 251 A C 1.038 178.650 177.584 0.047 0.000 1.227 251 A CA -0.266 51.798 52.037 0.045 0.000 0.885 251 A CB -0.122 18.875 19.000 -0.005 0.000 0.933 251 A HN 0.361 nan 8.150 nan 0.000 0.506 252 M N 1.711 121.350 119.600 0.065 0.000 2.184 252 M HA 0.221 4.701 4.480 -0.000 0.000 0.351 252 M C -0.204 176.119 176.300 0.038 0.000 1.395 252 M CA -0.087 55.248 55.300 0.058 0.000 1.117 252 M CB 0.319 32.961 32.600 0.070 0.000 1.708 252 M HN 0.263 nan 8.290 nan 0.000 0.468 253 R N 3.285 123.802 120.500 0.028 0.000 2.500 253 R HA 0.286 4.626 4.340 -0.000 0.000 0.275 253 R C -0.371 175.935 176.300 0.009 0.000 1.051 253 R CA -0.779 55.330 56.100 0.015 0.000 1.088 253 R CB 0.749 31.053 30.300 0.008 0.000 1.063 253 R HN 0.612 nan 8.270 nan 0.000 0.511 254 L N 2.423 123.648 121.223 0.003 0.000 2.796 254 L HA 0.154 4.494 4.340 -0.000 0.000 0.235 254 L C -0.305 176.561 176.870 -0.008 0.000 1.344 254 L CA 0.858 55.695 54.840 -0.004 0.000 1.245 254 L CB -0.162 41.893 42.059 -0.006 0.000 1.556 254 L HN 0.593 nan 8.230 nan 0.000 0.423 255 T N -0.209 114.341 114.554 -0.007 0.000 3.448 255 T HA 0.217 4.567 4.350 -0.000 0.000 0.271 255 T C 0.068 174.760 174.700 -0.012 0.000 1.002 255 T CA -0.467 61.627 62.100 -0.010 0.000 0.995 255 T CB -0.034 68.830 68.868 -0.007 0.000 1.153 255 T HN 0.330 nan 8.240 nan 0.000 0.510 256 Q N 1.282 121.072 119.800 -0.015 0.000 2.314 256 Q HA 0.372 4.712 4.340 -0.000 0.000 0.258 256 Q C -0.028 175.958 176.000 -0.023 0.000 0.954 256 Q CA -0.318 55.474 55.803 -0.019 0.000 0.890 256 Q CB 1.503 30.229 28.738 -0.019 0.000 1.210 256 Q HN 0.354 nan 8.270 nan 0.000 0.410 257 R N 0.951 121.438 120.500 -0.022 0.000 2.623 257 R HA 0.164 4.504 4.340 -0.000 0.000 0.271 257 R C -0.063 176.220 176.300 -0.029 0.000 1.043 257 R CA 0.194 56.281 56.100 -0.022 0.000 1.083 257 R CB 0.547 30.838 30.300 -0.016 0.000 0.974 257 R HN 0.541 nan 8.270 nan 0.000 0.436 258 S N 1.525 117.201 115.700 -0.040 0.000 2.707 258 S HA 0.282 4.752 4.470 -0.000 0.000 0.312 258 S C -0.491 174.065 174.600 -0.073 0.000 1.116 258 S CA -0.650 57.509 58.200 -0.068 0.000 1.078 258 S CB 0.931 64.073 63.200 -0.096 0.000 0.997 258 S HN 0.638 nan 8.310 nan 0.000 0.477 259 S N 3.749 119.412 115.700 -0.061 0.000 2.745 259 S HA 0.515 4.985 4.470 -0.000 0.000 0.292 259 S C 0.384 174.946 174.600 -0.063 0.000 1.133 259 S CA -0.623 57.562 58.200 -0.026 0.000 0.998 259 S CB 1.238 64.459 63.200 0.036 0.000 1.087 259 S HN 0.686 nan 8.310 nan 0.000 0.551 260 N N -0.191 118.540 118.700 0.051 0.000 2.184 260 N HA 0.194 4.934 4.740 -0.000 0.000 0.206 260 N C -0.315 175.440 175.510 0.408 0.000 1.151 260 N CA 0.051 53.219 53.050 0.197 0.000 0.878 260 N CB 0.503 39.083 38.487 0.154 0.000 1.014 260 N HN 0.435 nan 8.380 nan 0.000 0.512 261 V N 2.565 122.641 119.914 0.271 0.000 2.788 261 V HA 0.015 4.135 4.120 -0.000 0.000 0.307 261 V C 0.858 177.110 176.094 0.263 0.000 1.069 261 V CA 0.277 62.707 62.300 0.215 0.000 1.173 261 V CB 0.537 32.444 31.823 0.140 0.000 0.925 261 V HN 0.109 nan 8.190 nan 0.000 0.492 262 R N 2.656 123.234 120.500 0.130 0.000 2.828 262 R HA 0.866 5.206 4.340 -0.000 0.000 0.264 262 R C -1.143 175.189 176.300 0.053 0.000 1.022 262 R CA -0.592 55.537 56.100 0.049 0.000 1.021 262 R CB 2.016 32.290 30.300 -0.043 0.000 1.163 262 R HN 0.518 nan 8.270 nan 0.000 0.494 263 V N -0.831 119.111 119.914 0.047 0.000 3.147 263 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 263 V C -0.015 176.056 176.094 -0.039 0.000 1.209 263 V CA -1.037 61.282 62.300 0.031 0.000 1.023 263 V CB 1.956 33.832 31.823 0.088 0.000 1.059 263 V HN 0.788 nan 8.190 nan 0.000 0.435 264 S N 0.655 116.308 115.700 -0.078 0.000 2.617 264 S HA 0.335 4.805 4.470 -0.000 0.000 0.269 264 S C 1.238 175.727 174.600 -0.185 0.000 1.292 264 S CA 0.215 58.322 58.200 -0.155 0.000 1.010 264 S CB 1.357 64.489 63.200 -0.113 0.000 0.944 264 S HN 1.253 nan 8.310 nan 0.000 0.536 265 S N 2.031 117.529 115.700 -0.336 0.000 2.524 265 S HA 0.319 4.789 4.470 -0.000 0.000 0.216 265 S C 1.409 176.004 174.600 -0.008 0.000 0.987 265 S CA 0.491 58.536 58.200 -0.260 0.000 0.909 265 S CB 0.015 62.794 63.200 -0.701 0.000 0.781 265 S HN 1.820 nan 8.310 nan 0.000 0.521 266 G N 0.144 108.900 108.800 -0.073 0.000 2.175 266 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 266 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 266 G C -0.087 174.781 174.900 -0.052 0.000 0.982 266 G CA -0.060 45.021 45.100 -0.032 0.000 0.641 266 G HN 0.908 nan 8.290 nan 0.000 0.527 267 V N 1.211 121.069 119.914 -0.092 0.000 2.524 267 V HA 0.407 4.527 4.120 -0.000 0.000 0.297 267 V C 1.463 177.493 176.094 -0.107 0.000 1.035 267 V CA -0.228 62.016 62.300 -0.094 0.000 0.867 267 V CB 1.523 33.282 31.823 -0.107 0.000 1.004 267 V HN 0.138 nan 8.190 nan 0.000 0.426 268 V N 3.834 123.701 119.914 -0.077 0.000 2.261 268 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 268 V C 2.478 178.535 176.094 -0.062 0.000 1.047 268 V CA 2.081 64.340 62.300 -0.069 0.000 1.015 268 V CB -0.747 31.049 31.823 -0.046 0.000 0.642 268 V HN 0.896 nan 8.190 nan 0.000 0.446 269 R N 0.159 120.629 120.500 -0.049 0.000 2.117 269 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 269 R C 2.150 178.425 176.300 -0.042 0.000 1.143 269 R CA 1.670 57.750 56.100 -0.034 0.000 0.968 269 R CB -0.853 29.431 30.300 -0.027 0.000 0.863 269 R HN 0.537 nan 8.270 nan 0.000 0.444 270 L N -0.051 121.124 121.223 -0.080 0.000 1.994 270 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 270 L C 1.592 178.405 176.870 -0.095 0.000 1.071 270 L CA 1.949 56.733 54.840 -0.092 0.000 0.745 270 L CB -0.517 41.462 42.059 -0.133 0.000 0.892 270 L HN 0.347 nan 8.230 nan 0.000 0.431 271 D N -0.229 120.080 120.400 -0.152 0.000 2.157 271 D HA -0.273 4.367 4.640 -0.000 0.000 0.191 271 D C 1.926 178.203 176.300 -0.038 0.000 1.004 271 D CA 1.797 55.704 54.000 -0.154 0.000 0.854 271 D CB -0.070 40.640 40.800 -0.150 0.000 0.936 271 D HN 0.512 nan 8.370 nan 0.000 0.446 272 E N 0.156 120.356 120.200 -0.000 0.000 2.038 272 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 272 E C 2.358 179.055 176.600 0.160 0.000 1.000 272 E CA 0.834 57.280 56.400 0.078 0.000 0.803 272 E CB -0.127 29.613 29.700 0.067 0.000 0.750 272 E HN 0.254 nan 8.360 nan 0.000 0.448 273 M N 0.108 119.761 119.600 0.088 0.000 2.143 273 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 273 M C 1.894 178.200 176.300 0.011 0.000 1.071 273 M CA 0.987 56.317 55.300 0.050 0.000 1.088 273 M CB -0.245 32.361 32.600 0.010 0.000 1.360 273 M HN 0.198 nan 8.290 nan 0.000 0.404 274 C N 0.952 120.279 119.300 0.046 0.000 2.449 274 C HA 0.277 4.737 4.460 -0.000 0.000 0.322 274 C C 1.558 176.617 174.990 0.114 0.000 1.309 274 C CA -0.016 59.041 59.018 0.065 0.000 1.657 274 C CB -2.111 25.684 27.740 0.093 0.000 1.718 274 C HN 0.850 nan 8.230 nan 0.000 0.596 275 G N 0.805 109.775 108.800 0.284 0.000 2.341 275 G HA2 0.078 4.038 3.960 -0.000 0.000 0.292 275 G HA3 0.078 4.038 3.960 -0.000 0.000 0.292 275 G C 0.761 175.760 174.900 0.166 0.000 1.021 275 G CA 0.429 45.809 45.100 0.466 0.000 0.905 275 G HN 1.601 nan 8.290 nan 0.000 0.508 276 G N -2.339 106.502 108.800 0.070 0.000 2.157 276 G HA2 0.549 4.509 3.960 -0.000 0.000 0.118 276 G HA3 0.549 4.509 3.960 -0.000 0.000 0.118 276 G C 1.499 176.350 174.900 -0.083 0.000 1.032 276 G CA 0.617 45.709 45.100 -0.014 0.000 0.697 276 G HN 2.873 nan 8.290 nan 0.000 0.495 277 G N -1.340 107.393 108.800 -0.112 0.000 2.746 277 G HA2 0.142 4.102 3.960 -0.000 0.000 0.685 277 G HA3 0.142 4.102 3.960 -0.000 0.000 0.685 277 G C 0.079 174.909 174.900 -0.116 0.000 1.350 277 G CA -0.337 44.644 45.100 -0.198 0.000 0.837 277 G HN 1.104 nan 8.290 nan 0.000 0.564 278 F N -0.865 119.044 119.950 -0.069 0.000 2.440 278 F HA 0.525 5.052 4.527 -0.000 0.000 0.323 278 F C 1.282 177.015 175.800 -0.111 0.000 1.192 278 F CA -0.521 57.441 58.000 -0.063 0.000 1.252 278 F CB 0.467 39.521 39.000 0.090 0.000 1.214 278 F HN 0.308 nan 8.300 nan 0.000 0.578 279 F N 1.233 121.348 119.950 0.275 0.000 2.384 279 F HA 0.155 4.682 4.527 -0.000 0.000 0.338 279 F C 1.382 177.282 175.800 0.166 0.000 1.103 279 F CA -0.347 57.754 58.000 0.169 0.000 1.157 279 F CB 1.212 40.278 39.000 0.111 0.000 1.167 279 F HN 0.477 nan 8.300 nan 0.000 0.529 280 K N 0.929 121.540 120.400 0.351 0.000 2.009 280 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 280 K C -0.054 176.671 176.600 0.208 0.000 1.049 280 K CA 1.471 57.898 56.287 0.233 0.000 0.929 280 K CB -0.044 32.553 32.500 0.163 0.000 0.714 280 K HN 0.525 nan 8.250 nan 0.000 0.440 281 D N 1.512 122.023 120.400 0.186 0.000 2.508 281 D HA 0.077 4.717 4.640 -0.000 0.000 0.224 281 D C -0.830 175.543 176.300 0.122 0.000 1.171 281 D CA 0.252 54.318 54.000 0.110 0.000 1.006 281 D CB 0.662 41.483 40.800 0.036 0.000 1.073 281 D HN 0.281 nan 8.370 nan 0.000 0.513 282 S N 0.835 116.620 115.700 0.141 0.000 2.565 282 S HA 0.444 4.914 4.470 -0.000 0.000 0.274 282 S C -1.295 173.361 174.600 0.094 0.000 1.144 282 S CA -1.041 57.229 58.200 0.118 0.000 0.849 282 S CB 1.201 64.512 63.200 0.185 0.000 1.103 282 S HN 0.043 nan 8.310 nan 0.000 0.455 283 I N 3.187 123.798 120.570 0.068 0.000 2.330 283 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 283 I C -0.493 175.629 176.117 0.008 0.000 1.001 283 I CA -0.765 60.603 61.300 0.114 0.000 1.193 283 I CB 1.091 39.143 38.000 0.086 0.000 1.345 283 I HN 0.639 nan 8.210 nan 0.000 0.461 284 I N 6.963 127.494 120.570 -0.064 0.000 2.460 284 I HA 0.442 4.612 4.170 -0.000 0.000 0.298 284 I C -0.300 175.760 176.117 -0.094 0.000 0.989 284 I CA -1.020 60.127 61.300 -0.254 0.000 1.173 284 I CB 1.912 39.497 38.000 -0.692 0.000 1.338 284 I HN 0.310 nan 8.210 nan 0.000 0.456 285 L N 4.991 126.151 121.223 -0.106 0.000 2.381 285 L HA 0.802 5.142 4.340 -0.000 0.000 0.274 285 L C -0.564 176.268 176.870 -0.064 0.000 0.988 285 L CA -0.202 54.619 54.840 -0.032 0.000 0.824 285 L CB 1.579 43.624 42.059 -0.023 0.000 1.263 285 L HN 0.742 nan 8.230 nan 0.000 0.410 286 A N 3.203 125.998 122.820 -0.042 0.000 2.304 286 A HA 0.850 5.170 4.320 -0.000 0.000 0.314 286 A C -0.654 176.916 177.584 -0.023 0.000 1.187 286 A CA -0.335 51.674 52.037 -0.047 0.000 0.810 286 A CB 0.806 19.772 19.000 -0.056 0.000 1.183 286 A HN 0.690 nan 8.150 nan 0.000 0.487 287 T N 0.265 114.796 114.554 -0.038 0.000 2.893 287 T HA 0.916 5.266 4.350 -0.000 0.000 0.291 287 T C 0.034 174.709 174.700 -0.042 0.000 1.028 287 T CA -0.239 61.840 62.100 -0.035 0.000 0.995 287 T CB 2.080 70.910 68.868 -0.062 0.000 1.051 287 T HN 1.795 nan 8.240 nan 0.000 0.470 288 G N -0.077 108.707 108.800 -0.028 0.000 2.338 288 G HA2 0.637 4.597 3.960 -0.000 0.000 0.295 288 G HA3 0.637 4.597 3.960 -0.000 0.000 0.295 288 G C -0.983 173.916 174.900 -0.002 0.000 1.461 288 G CA -0.367 44.710 45.100 -0.037 0.000 0.817 288 G HN 0.930 nan 8.290 nan 0.000 0.556 289 A N -0.159 122.671 122.820 0.017 0.000 2.366 289 A HA 0.665 4.985 4.320 -0.000 0.000 0.250 289 A C 1.173 178.837 177.584 0.133 0.000 1.099 289 A CA 0.978 53.096 52.037 0.136 0.000 0.794 289 A CB 0.057 19.267 19.000 0.349 0.000 1.056 289 A HN 1.881 nan 8.150 nan 0.000 0.499 290 T N -0.565 114.094 114.554 0.173 0.000 2.946 290 T HA 0.386 4.736 4.350 -0.000 0.000 0.312 290 T C 1.514 176.347 174.700 0.223 0.000 1.066 290 T CA 1.878 64.067 62.100 0.148 0.000 1.138 290 T CB -0.226 68.706 68.868 0.106 0.000 1.014 290 T HN 2.353 nan 8.240 nan 0.000 0.544 291 G N 2.915 111.825 108.800 0.183 0.000 2.225 291 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.254 291 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.254 291 G C 1.136 176.142 174.900 0.177 0.000 0.988 291 G CA 1.168 46.412 45.100 0.241 0.000 0.625 291 G HN 1.304 nan 8.290 nan 0.000 0.527 292 T N -1.640 112.904 114.554 -0.017 0.000 2.962 292 T HA 0.358 4.708 4.350 -0.000 0.000 0.270 292 T C 2.384 177.124 174.700 0.067 0.000 1.088 292 T CA 1.876 63.873 62.100 -0.170 0.000 1.127 292 T CB -0.024 68.689 68.868 -0.259 0.000 0.883 292 T HN 2.310 nan 8.240 nan 0.000 0.493 293 G N 0.823 109.680 108.800 0.094 0.000 2.143 293 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.175 293 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.175 293 G C 0.603 175.514 174.900 0.018 0.000 1.004 293 G CA 0.166 45.319 45.100 0.089 0.000 0.671 293 G HN 0.467 nan 8.290 nan 0.000 0.512 294 K N 0.279 120.700 120.400 0.035 0.000 2.063 294 K HA -0.005 4.315 4.320 -0.000 0.000 0.208 294 K C 2.619 179.236 176.600 0.028 0.000 1.048 294 K CA 2.168 58.464 56.287 0.016 0.000 0.928 294 K CB -0.433 32.088 32.500 0.035 0.000 0.713 294 K HN 0.380 nan 8.250 nan 0.000 0.442 295 T N 1.439 116.043 114.554 0.085 0.000 2.833 295 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 295 T C 1.594 176.330 174.700 0.060 0.000 1.054 295 T CA 1.071 63.259 62.100 0.146 0.000 1.135 295 T CB -0.227 68.795 68.868 0.257 0.000 0.869 295 T HN 0.067 nan 8.240 nan 0.000 0.466 296 L N 1.308 122.404 121.223 -0.212 0.000 1.994 296 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 296 L C 2.183 178.873 176.870 -0.300 0.000 1.071 296 L CA 1.611 56.020 54.840 -0.719 0.000 0.745 296 L CB -0.961 40.462 42.059 -1.060 0.000 0.892 296 L HN 0.230 nan 8.230 nan 0.000 0.431 297 L N -1.494 119.626 121.223 -0.171 0.000 2.081 297 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 297 L C 2.518 179.426 176.870 0.063 0.000 1.080 297 L CA 1.231 56.034 54.840 -0.063 0.000 0.754 297 L CB -0.757 41.267 42.059 -0.057 0.000 0.893 297 L HN 0.186 nan 8.230 nan 0.000 0.433 298 V N -0.796 119.164 119.914 0.077 0.000 2.261 298 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 298 V C 2.598 178.863 176.094 0.285 0.000 1.047 298 V CA 2.105 64.507 62.300 0.169 0.000 1.015 298 V CB -0.194 31.718 31.823 0.150 0.000 0.642 298 V HN 0.402 nan 8.190 nan 0.000 0.446 299 S N -0.506 115.358 115.700 0.274 0.000 2.359 299 S HA -0.304 4.166 4.470 -0.000 0.000 0.223 299 S C 2.107 176.898 174.600 0.318 0.000 1.039 299 S CA 2.144 60.593 58.200 0.416 0.000 1.042 299 S CB -0.435 62.935 63.200 0.283 0.000 0.915 299 S HN 0.455 nan 8.310 nan 0.000 0.439 300 R N 0.318 120.913 120.500 0.158 0.000 2.193 300 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 300 R C 1.777 178.180 176.300 0.171 0.000 1.110 300 R CA 0.999 57.166 56.100 0.112 0.000 0.988 300 R CB -0.510 29.797 30.300 0.012 0.000 0.871 300 R HN 0.499 nan 8.270 nan 0.000 0.458 301 F N -1.235 118.760 119.950 0.075 0.000 2.416 301 F HA 0.054 4.581 4.527 -0.000 0.000 0.296 301 F C 1.594 177.450 175.800 0.094 0.000 1.099 301 F CA 0.625 58.678 58.000 0.089 0.000 1.427 301 F CB 0.015 39.093 39.000 0.130 0.000 1.079 301 F HN -0.166 nan 8.300 nan 0.000 0.536 302 V N 0.528 120.545 119.914 0.171 0.000 2.379 302 V HA -0.177 3.943 4.120 -0.000 0.000 0.243 302 V C 2.434 178.552 176.094 0.039 0.000 1.035 302 V CA 2.012 64.345 62.300 0.055 0.000 1.035 302 V CB -0.284 31.615 31.823 0.127 0.000 0.673 302 V HN 0.402 nan 8.190 nan 0.000 0.457 303 E N 0.465 120.764 120.200 0.164 0.000 2.058 303 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 303 E C 2.095 178.722 176.600 0.044 0.000 0.997 303 E CA 1.619 58.114 56.400 0.159 0.000 0.801 303 E CB -0.386 29.437 29.700 0.205 0.000 0.746 303 E HN 0.608 nan 8.360 nan 0.000 0.450 304 N N 0.541 119.239 118.700 -0.002 0.000 2.258 304 N HA -0.172 4.568 4.740 -0.000 0.000 0.187 304 N C 1.517 176.975 175.510 -0.086 0.000 1.012 304 N CA 1.328 54.346 53.050 -0.052 0.000 0.870 304 N CB -0.106 38.333 38.487 -0.079 0.000 0.977 304 N HN 0.231 nan 8.380 nan 0.000 0.434 305 A N -0.567 122.176 122.820 -0.128 0.000 2.169 305 A HA 0.028 4.348 4.320 -0.000 0.000 0.212 305 A C 2.500 180.052 177.584 -0.054 0.000 1.153 305 A CA 0.424 52.389 52.037 -0.120 0.000 0.756 305 A CB -0.349 18.548 19.000 -0.171 0.000 0.813 305 A HN 0.530 nan 8.150 nan 0.000 0.471 306 C N -1.517 117.769 119.300 -0.023 0.000 2.538 306 C HA 0.281 4.741 4.460 -0.000 0.000 0.281 306 C C 3.088 178.081 174.990 0.005 0.000 1.320 306 C CA 0.407 59.428 59.018 0.006 0.000 1.714 306 C CB -0.980 26.782 27.740 0.036 0.000 2.095 306 C HN 0.690 nan 8.230 nan 0.000 0.497 307 A N 0.951 123.775 122.820 0.006 0.000 2.186 307 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 307 A C 1.450 179.028 177.584 -0.009 0.000 1.159 307 A CA 1.504 53.543 52.037 0.003 0.000 0.680 307 A CB -0.459 18.542 19.000 0.002 0.000 0.787 307 A HN 0.718 nan 8.150 nan 0.000 0.467 308 N N -0.373 118.315 118.700 -0.019 0.000 2.234 308 N HA 0.093 4.833 4.740 -0.000 0.000 0.227 308 N C -0.719 174.778 175.510 -0.022 0.000 1.151 308 N CA 0.009 53.045 53.050 -0.023 0.000 0.865 308 N CB 0.311 38.778 38.487 -0.034 0.000 1.066 308 N HN 0.400 nan 8.380 nan 0.000 0.515 309 K N 0.962 121.352 120.400 -0.016 0.000 3.156 309 K HA -0.208 4.112 4.320 -0.000 0.000 0.266 309 K C -0.732 175.849 176.600 -0.031 0.000 0.966 309 K CA 0.865 57.141 56.287 -0.017 0.000 0.719 309 K CB -1.159 31.332 32.500 -0.015 0.000 1.333 309 K HN 0.453 nan 8.250 nan 0.000 0.468 310 E N 0.184 120.363 120.200 -0.035 0.000 2.299 310 E HA 0.388 4.738 4.350 -0.000 0.000 0.265 310 E C -0.383 176.192 176.600 -0.042 0.000 0.911 310 E CA -1.135 55.236 56.400 -0.048 0.000 0.789 310 E CB 1.651 31.322 29.700 -0.049 0.000 1.246 310 E HN 0.102 nan 8.360 nan 0.000 0.427 311 R N 0.641 121.101 120.500 -0.068 0.000 2.349 311 R HA 0.656 4.996 4.340 -0.000 0.000 0.299 311 R C -0.824 175.537 176.300 0.101 0.000 1.027 311 R CA -0.359 55.721 56.100 -0.033 0.000 0.958 311 R CB 1.379 31.460 30.300 -0.365 0.000 1.047 311 R HN 0.482 nan 8.270 nan 0.000 0.468 312 A N 3.708 126.668 122.820 0.233 0.000 2.539 312 A HA 0.639 4.959 4.320 -0.000 0.000 0.296 312 A C -0.866 176.786 177.584 0.112 0.000 1.073 312 A CA -0.754 51.371 52.037 0.147 0.000 0.700 312 A CB 1.328 20.338 19.000 0.017 0.000 1.296 312 A HN 0.644 nan 8.150 nan 0.000 0.405 313 I N 1.652 122.254 120.570 0.054 0.000 2.433 313 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 313 I C -1.089 174.944 176.117 -0.139 0.000 1.001 313 I CA -0.832 60.360 61.300 -0.180 0.000 1.119 313 I CB 1.914 39.720 38.000 -0.324 0.000 1.289 313 I HN 0.524 nan 8.210 nan 0.000 0.438 314 L N 7.426 128.492 121.223 -0.263 0.000 2.295 314 L HA 0.522 4.862 4.340 -0.000 0.000 0.281 314 L C -1.461 175.297 176.870 -0.186 0.000 1.018 314 L CA -0.054 54.719 54.840 -0.112 0.000 0.841 314 L CB 0.361 42.343 42.059 -0.130 0.000 1.218 314 L HN 0.247 nan 8.230 nan 0.000 0.424 315 F N 4.823 124.766 119.950 -0.012 0.000 2.390 315 F HA 0.664 5.191 4.527 -0.000 0.000 0.361 315 F C 0.808 176.537 175.800 -0.117 0.000 1.124 315 F CA -0.208 57.754 58.000 -0.062 0.000 1.149 315 F CB 1.192 40.278 39.000 0.143 0.000 1.160 315 F HN 0.677 nan 8.300 nan 0.000 0.501 316 A N 3.819 126.548 122.820 -0.153 0.000 2.288 316 A HA 0.570 4.890 4.320 -0.000 0.000 0.320 316 A C -0.970 176.381 177.584 -0.387 0.000 1.217 316 A CA -0.425 51.535 52.037 -0.128 0.000 0.840 316 A CB 0.236 19.193 19.000 -0.071 0.000 1.179 316 A HN 0.787 nan 8.150 nan 0.000 0.504 317 Y N 0.435 120.762 120.300 0.047 0.000 2.557 317 Y HA 0.223 4.773 4.550 -0.000 0.000 0.247 317 Y C 1.321 177.208 175.900 -0.022 0.000 1.164 317 Y CA 0.056 58.156 58.100 0.000 0.000 1.218 317 Y CB 0.700 39.159 38.460 -0.001 0.000 1.210 317 Y HN 0.802 nan 8.280 nan 0.000 0.529 318 E N -0.278 119.969 120.200 0.079 0.000 2.441 318 E HA 0.132 4.482 4.350 -0.000 0.000 0.212 318 E C -0.078 176.522 176.600 0.000 0.000 0.840 318 E CA 0.159 56.593 56.400 0.057 0.000 1.143 318 E CB 0.860 30.619 29.700 0.098 0.000 1.153 318 E HN 0.343 nan 8.360 nan 0.000 0.539 319 E N 1.280 121.471 120.200 -0.015 0.000 2.227 319 E HA 0.292 4.642 4.350 -0.000 0.000 0.268 319 E C -0.611 175.944 176.600 -0.075 0.000 0.907 319 E CA -0.535 55.851 56.400 -0.023 0.000 0.786 319 E CB 2.035 31.756 29.700 0.034 0.000 1.191 319 E HN -0.019 nan 8.360 nan 0.000 0.411 320 S N 1.318 116.977 115.700 -0.069 0.000 2.596 320 S HA 0.055 4.525 4.470 -0.000 0.000 0.260 320 S C 1.032 175.606 174.600 -0.044 0.000 1.336 320 S CA -0.351 57.801 58.200 -0.079 0.000 0.993 320 S CB 0.786 63.956 63.200 -0.049 0.000 0.923 320 S HN 0.609 nan 8.310 nan 0.000 0.567 321 R N 1.146 121.617 120.500 -0.049 0.000 2.148 321 R HA 0.028 4.368 4.340 -0.000 0.000 0.223 321 R C 2.339 178.645 176.300 0.010 0.000 1.088 321 R CA 1.108 57.192 56.100 -0.027 0.000 0.985 321 R CB -1.039 29.231 30.300 -0.050 0.000 0.880 321 R HN 0.700 nan 8.270 nan 0.000 0.451 322 A N 1.773 124.590 122.820 -0.004 0.000 1.840 322 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 322 A C 2.229 179.817 177.584 0.006 0.000 1.198 322 A CA 1.092 53.129 52.037 -0.000 0.000 0.608 322 A CB -0.557 18.435 19.000 -0.013 0.000 0.839 322 A HN 0.331 nan 8.150 nan 0.000 0.443 323 Q N -0.493 119.306 119.800 -0.003 0.000 2.077 323 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 323 Q C 2.084 178.089 176.000 0.009 0.000 0.989 323 Q CA 1.675 57.472 55.803 -0.009 0.000 0.853 323 Q CB -0.286 28.446 28.738 -0.010 0.000 0.907 323 Q HN 0.662 nan 8.270 nan 0.000 0.418 324 L N 0.249 121.508 121.223 0.059 0.000 2.089 324 L HA -0.275 4.065 4.340 -0.000 0.000 0.213 324 L C 2.382 179.361 176.870 0.183 0.000 1.079 324 L CA 1.063 55.995 54.840 0.153 0.000 0.758 324 L CB -0.241 41.939 42.059 0.202 0.000 0.891 324 L HN 0.341 nan 8.230 nan 0.000 0.433 325 L N -1.015 120.301 121.223 0.154 0.000 2.068 325 L HA -0.177 4.163 4.340 -0.000 0.000 0.204 325 L C 2.801 179.686 176.870 0.025 0.000 1.076 325 L CA 1.046 55.970 54.840 0.140 0.000 0.753 325 L CB -0.392 41.743 42.059 0.128 0.000 0.910 325 L HN 0.190 nan 8.230 nan 0.000 0.439 326 R N 0.171 120.661 120.500 -0.017 0.000 2.094 326 R HA -0.219 4.121 4.340 -0.000 0.000 0.239 326 R C 2.027 178.255 176.300 -0.119 0.000 1.137 326 R CA 2.203 58.270 56.100 -0.055 0.000 0.943 326 R CB -0.287 29.970 30.300 -0.071 0.000 0.850 326 R HN 0.363 nan 8.270 nan 0.000 0.433 327 N N 0.583 119.157 118.700 -0.209 0.000 2.120 327 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 327 N C 1.611 176.770 175.510 -0.585 0.000 1.024 327 N CA 1.672 54.430 53.050 -0.486 0.000 0.852 327 N CB -0.495 37.710 38.487 -0.470 0.000 1.003 327 N HN 0.390 nan 8.380 nan 0.000 0.424 328 A N 0.026 122.677 122.820 -0.281 0.000 1.873 328 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 328 A C 2.172 179.646 177.584 -0.183 0.000 1.186 328 A CA 1.066 52.941 52.037 -0.269 0.000 0.616 328 A CB -1.062 17.378 19.000 -0.933 0.000 0.823 328 A HN 0.367 nan 8.150 nan 0.000 0.442 329 Y N 1.498 121.660 120.300 -0.231 0.000 2.165 329 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 329 Y C 2.631 178.461 175.900 -0.116 0.000 1.155 329 Y CA 1.888 59.906 58.100 -0.136 0.000 1.164 329 Y CB -0.276 38.124 38.460 -0.100 0.000 0.978 329 Y HN 0.309 nan 8.280 nan 0.000 0.513 330 S N -1.050 114.589 115.700 -0.101 0.000 2.500 330 S HA -0.167 4.303 4.470 -0.000 0.000 0.239 330 S C 0.731 175.236 174.600 -0.158 0.000 0.989 330 S CA 0.766 58.859 58.200 -0.179 0.000 0.951 330 S CB -0.369 62.661 63.200 -0.284 0.000 0.759 330 S HN 0.541 nan 8.310 nan 0.000 0.523 331 W N 1.598 122.819 121.300 -0.132 0.000 3.102 331 W HA 0.471 5.131 4.660 -0.000 0.000 0.401 331 W C 1.261 177.681 176.519 -0.165 0.000 1.070 331 W CA -0.009 57.264 57.345 -0.120 0.000 1.921 331 W CB -0.856 28.544 29.460 -0.101 0.000 1.118 331 W HN 0.383 nan 8.180 nan 0.000 0.647 332 G N 1.793 110.551 108.800 -0.071 0.000 2.545 332 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.240 332 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.240 332 G C 0.293 175.069 174.900 -0.208 0.000 1.172 332 G CA -0.077 44.921 45.100 -0.169 0.000 0.949 332 G HN 0.351 nan 8.290 nan 0.000 0.574 333 M N -0.498 119.032 119.600 -0.116 0.000 4.021 333 M HA -0.111 4.369 4.480 -0.000 0.000 0.169 333 M C -0.798 175.446 176.300 -0.094 0.000 1.530 333 M CA 1.563 56.814 55.300 -0.081 0.000 1.089 333 M CB -0.662 31.897 32.600 -0.069 0.000 1.356 333 M HN 0.751 nan 8.290 nan 0.000 0.206 334 D N 4.431 124.860 120.400 0.049 0.000 2.428 334 D HA 0.336 4.976 4.640 -0.000 0.000 0.221 334 D C 0.123 176.599 176.300 0.292 0.000 1.123 334 D CA -0.282 53.840 54.000 0.203 0.000 0.869 334 D CB 0.229 41.159 40.800 0.215 0.000 1.032 334 D HN 0.702 nan 8.370 nan 0.000 0.506 335 F N 1.577 121.608 119.950 0.136 0.000 2.325 335 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 335 F C 2.235 178.070 175.800 0.058 0.000 1.090 335 F CA -0.060 57.991 58.000 0.084 0.000 1.392 335 F CB 0.525 39.571 39.000 0.075 0.000 1.053 335 F HN 0.361 nan 8.300 nan 0.000 0.521 336 E N 0.738 121.088 120.200 0.250 0.000 2.048 336 E HA -0.293 4.057 4.350 -0.000 0.000 0.202 336 E C 1.852 178.515 176.600 0.105 0.000 1.021 336 E CA 1.643 58.122 56.400 0.132 0.000 0.825 336 E CB -0.436 29.320 29.700 0.093 0.000 0.756 336 E HN 0.339 nan 8.360 nan 0.000 0.454 337 E N 0.341 120.614 120.200 0.122 0.000 2.051 337 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 337 E C 2.126 178.777 176.600 0.085 0.000 0.991 337 E CA 1.267 57.723 56.400 0.094 0.000 0.799 337 E CB -0.197 29.562 29.700 0.099 0.000 0.748 337 E HN 0.163 nan 8.360 nan 0.000 0.449 338 M N 0.461 120.126 119.600 0.109 0.000 2.108 338 M HA -0.209 4.271 4.480 -0.000 0.000 0.257 338 M C 1.982 178.307 176.300 0.041 0.000 1.071 338 M CA 1.710 57.056 55.300 0.077 0.000 1.093 338 M CB -1.073 31.575 32.600 0.080 0.000 1.345 338 M HN 0.201 nan 8.290 nan 0.000 0.403 339 E N 0.434 120.649 120.200 0.024 0.000 2.017 339 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 339 E C 2.187 178.800 176.600 0.022 0.000 0.997 339 E CA 1.277 57.673 56.400 -0.005 0.000 0.804 339 E CB -0.236 29.456 29.700 -0.015 0.000 0.757 339 E HN 0.560 nan 8.360 nan 0.000 0.448 340 R N 1.071 121.590 120.500 0.032 0.000 2.096 340 R HA -0.162 4.178 4.340 -0.000 0.000 0.229 340 R C 2.413 178.739 176.300 0.043 0.000 1.134 340 R CA 1.523 57.643 56.100 0.033 0.000 0.917 340 R CB -0.476 29.843 30.300 0.033 0.000 0.832 340 R HN 0.224 nan 8.270 nan 0.000 0.430 341 Q N 0.552 120.380 119.800 0.046 0.000 2.534 341 Q HA -0.205 4.135 4.340 -0.000 0.000 0.218 341 Q C -0.097 175.937 176.000 0.056 0.000 0.989 341 Q CA 0.842 56.672 55.803 0.045 0.000 0.903 341 Q CB -0.402 28.363 28.738 0.045 0.000 0.942 341 Q HN 0.337 nan 8.270 nan 0.000 0.501 342 N N -1.429 117.319 118.700 0.080 0.000 2.735 342 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 342 N C -0.080 175.538 175.510 0.180 0.000 1.083 342 N CA 0.506 53.641 53.050 0.141 0.000 0.703 342 N CB -0.974 37.580 38.487 0.111 0.000 1.005 342 N HN 0.284 nan 8.380 nan 0.000 0.550 343 L N -1.793 119.526 121.223 0.160 0.000 2.500 343 L HA 0.260 4.600 4.340 -0.000 0.000 0.219 343 L C 0.583 177.593 176.870 0.233 0.000 1.057 343 L CA 0.184 55.109 54.840 0.142 0.000 0.854 343 L CB 0.207 42.303 42.059 0.062 0.000 1.078 343 L HN 0.233 nan 8.230 nan 0.000 0.480 344 L N 1.316 122.625 121.223 0.143 0.000 2.341 344 L HA 0.447 4.787 4.340 -0.000 0.000 0.278 344 L C -0.993 175.761 176.870 -0.194 0.000 1.005 344 L CA -0.177 54.659 54.840 -0.007 0.000 0.818 344 L CB 1.758 43.748 42.059 -0.115 0.000 1.259 344 L HN 0.025 nan 8.230 nan 0.000 0.418 345 K N 5.848 126.001 120.400 -0.412 0.000 2.413 345 K HA 0.577 4.897 4.320 -0.000 0.000 0.257 345 K C -1.245 175.052 176.600 -0.504 0.000 0.946 345 K CA -0.576 55.333 56.287 -0.630 0.000 0.823 345 K CB 1.640 33.393 32.500 -1.246 0.000 1.109 345 K HN 0.659 nan 8.250 nan 0.000 0.427 346 I N 4.788 125.112 120.570 -0.409 0.000 2.392 346 I HA 0.157 4.327 4.170 -0.000 0.000 0.295 346 I C 0.702 176.616 176.117 -0.339 0.000 0.985 346 I CA -0.658 60.429 61.300 -0.355 0.000 1.221 346 I CB 1.807 39.644 38.000 -0.271 0.000 1.366 346 I HN 0.490 nan 8.210 nan 0.000 0.467 347 V N 3.367 123.069 119.914 -0.354 0.000 2.785 347 V HA 0.119 4.239 4.120 -0.000 0.000 0.226 347 V C 0.064 176.038 176.094 -0.200 0.000 1.127 347 V CA 0.213 62.343 62.300 -0.284 0.000 1.193 347 V CB 0.197 31.827 31.823 -0.321 0.000 0.926 347 V HN 0.973 nan 8.190 nan 0.000 0.507 348 C N 0.703 119.860 119.300 -0.237 0.000 1.623 348 C HA 0.336 4.796 4.460 -0.000 0.000 0.238 348 C C -0.045 174.813 174.990 -0.220 0.000 0.556 348 C CA -0.725 58.142 59.018 -0.252 0.000 2.809 348 C CB -2.245 25.385 27.740 -0.183 0.000 2.108 348 C HN 1.280 nan 8.230 nan 0.000 0.553 349 A N 3.751 126.400 122.820 -0.286 0.000 2.583 349 A HA 0.669 4.989 4.320 -0.000 0.000 0.298 349 A C -1.108 176.503 177.584 0.044 0.000 1.055 349 A CA -0.626 51.368 52.037 -0.072 0.000 0.714 349 A CB 0.634 19.691 19.000 0.096 0.000 1.277 349 A HN 1.044 nan 8.150 nan 0.000 0.406 350 Y N 1.836 122.222 120.300 0.144 0.000 2.425 350 Y HA 0.241 4.791 4.550 -0.000 0.000 0.331 350 Y C -1.385 174.672 175.900 0.263 0.000 1.157 350 Y CA -0.768 57.432 58.100 0.166 0.000 1.372 350 Y CB 0.806 39.328 38.460 0.104 0.000 1.253 350 Y HN 0.552 nan 8.280 nan 0.000 0.536 351 P HA -0.173 nan 4.420 nan 0.000 0.219 351 P C 0.676 178.159 177.300 0.304 0.000 1.146 351 P CA 1.429 64.640 63.100 0.185 0.000 0.808 351 P CB 0.333 32.029 31.700 -0.007 0.000 0.779 352 E N -0.745 119.587 120.200 0.220 0.000 2.274 352 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 352 E C 1.449 178.118 176.600 0.115 0.000 0.996 352 E CA 0.855 57.328 56.400 0.121 0.000 0.840 352 E CB -0.961 28.755 29.700 0.027 0.000 0.772 352 E HN 0.283 nan 8.360 nan 0.000 0.491 353 S N -0.525 115.285 115.700 0.183 0.000 2.954 353 S HA 0.505 4.975 4.470 -0.000 0.000 0.234 353 S C 0.486 175.092 174.600 0.010 0.000 0.978 353 S CA 0.071 58.337 58.200 0.111 0.000 1.045 353 S CB -0.422 62.884 63.200 0.177 0.000 0.807 353 S HN 0.215 nan 8.310 nan 0.000 0.508 354 A N -0.651 122.160 122.820 -0.014 0.000 2.395 354 A HA 0.657 4.977 4.320 -0.000 0.000 0.296 354 A C -0.214 177.323 177.584 -0.079 0.000 0.983 354 A CA -0.546 51.387 52.037 -0.173 0.000 0.581 354 A CB -0.317 18.338 19.000 -0.575 0.000 1.426 354 A HN 0.893 nan 8.150 nan 0.000 0.503 355 G N -1.119 107.623 108.800 -0.097 0.000 2.471 355 G HA2 0.573 4.533 3.960 -0.000 0.000 0.332 355 G HA3 0.573 4.533 3.960 -0.000 0.000 0.332 355 G C 0.527 175.439 174.900 0.020 0.000 1.176 355 G CA -0.490 44.603 45.100 -0.011 0.000 0.949 355 G HN 0.824 nan 8.290 nan 0.000 0.488 356 L N 0.479 121.715 121.223 0.022 0.000 2.021 356 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 356 L C 3.022 179.910 176.870 0.030 0.000 1.074 356 L CA 2.523 57.327 54.840 -0.059 0.000 0.760 356 L CB -0.825 41.175 42.059 -0.097 0.000 0.889 356 L HN 0.907 nan 8.230 nan 0.000 0.433 357 E N -1.111 119.099 120.200 0.018 0.000 2.065 357 E HA -0.278 4.072 4.350 -0.000 0.000 0.201 357 E C 1.633 178.201 176.600 -0.054 0.000 1.016 357 E CA 1.673 58.052 56.400 -0.035 0.000 0.818 357 E CB -0.725 28.999 29.700 0.041 0.000 0.749 357 E HN 0.519 nan 8.360 nan 0.000 0.453 358 D N 0.634 121.021 120.400 -0.022 0.000 2.092 358 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 358 D C 2.055 178.347 176.300 -0.013 0.000 0.994 358 D CA 1.456 55.438 54.000 -0.030 0.000 0.828 358 D CB -0.516 40.215 40.800 -0.116 0.000 0.963 358 D HN 0.335 nan 8.370 nan 0.000 0.450 359 H N 0.923 120.012 119.070 0.031 0.000 2.289 359 H HA -0.106 4.450 4.556 -0.000 0.000 0.296 359 H C 2.407 177.817 175.328 0.136 0.000 1.091 359 H CA 0.603 56.695 56.048 0.074 0.000 1.274 359 H CB -0.677 29.035 29.762 -0.083 0.000 1.364 359 H HN 0.143 nan 8.280 nan 0.000 0.490 360 L N 0.754 122.157 121.223 0.300 0.000 2.042 360 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 360 L C 2.513 179.336 176.870 -0.078 0.000 1.076 360 L CA 1.670 56.597 54.840 0.145 0.000 0.749 360 L CB -0.370 41.650 42.059 -0.066 0.000 0.893 360 L HN 0.361 nan 8.230 nan 0.000 0.432 361 Q N -0.348 119.400 119.800 -0.087 0.000 2.083 361 Q HA -0.194 4.146 4.340 -0.000 0.000 0.198 361 Q C 2.255 178.338 176.000 0.139 0.000 0.969 361 Q CA 1.229 57.077 55.803 0.074 0.000 0.838 361 Q CB 0.119 29.020 28.738 0.272 0.000 0.900 361 Q HN 0.500 nan 8.270 nan 0.000 0.436 362 I N 1.135 121.798 120.570 0.156 0.000 2.264 362 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 362 I C 2.300 178.581 176.117 0.273 0.000 1.111 362 I CA 1.328 62.752 61.300 0.207 0.000 1.382 362 I CB -0.939 37.200 38.000 0.232 0.000 1.060 362 I HN 0.335 nan 8.210 nan 0.000 0.418 363 I N 0.640 121.333 120.570 0.205 0.000 2.163 363 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 363 I C 2.619 178.847 176.117 0.184 0.000 1.081 363 I CA 1.327 62.701 61.300 0.123 0.000 1.353 363 I CB -0.426 37.407 38.000 -0.280 0.000 1.054 363 I HN 0.185 nan 8.210 nan 0.000 0.407 364 K N 0.558 120.966 120.400 0.013 0.000 1.991 364 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 364 K C 2.357 179.025 176.600 0.113 0.000 1.049 364 K CA 2.019 58.239 56.287 -0.112 0.000 0.932 364 K CB -0.389 31.940 32.500 -0.286 0.000 0.717 364 K HN 0.186 nan 8.250 nan 0.000 0.441 365 S N 1.165 116.955 115.700 0.149 0.000 2.380 365 S HA -0.283 4.186 4.470 -0.000 0.000 0.229 365 S C 1.934 176.663 174.600 0.214 0.000 1.050 365 S CA 2.095 60.406 58.200 0.185 0.000 1.100 365 S CB -0.274 63.039 63.200 0.188 0.000 0.984 365 S HN 0.328 nan 8.310 nan 0.000 0.434 366 E N -0.126 120.227 120.200 0.255 0.000 2.338 366 E HA 0.037 4.387 4.350 -0.000 0.000 0.197 366 E C 1.814 178.590 176.600 0.294 0.000 1.007 366 E CA 0.903 57.449 56.400 0.244 0.000 0.849 366 E CB -0.126 29.700 29.700 0.210 0.000 0.774 366 E HN 0.673 nan 8.360 nan 0.000 0.506 367 I N 0.774 121.558 120.570 0.357 0.000 2.617 367 I HA -0.178 3.992 4.170 -0.000 0.000 0.256 367 I C 1.606 177.910 176.117 0.311 0.000 1.167 367 I CA 0.346 61.874 61.300 0.380 0.000 1.469 367 I CB -0.135 38.152 38.000 0.478 0.000 1.098 367 I HN 0.121 nan 8.210 nan 0.000 0.436 368 N N 0.989 119.855 118.700 0.277 0.000 2.171 368 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 368 N C 1.192 176.810 175.510 0.180 0.000 1.021 368 N CA 1.193 54.374 53.050 0.219 0.000 0.854 368 N CB -0.304 38.302 38.487 0.199 0.000 0.994 368 N HN 0.325 nan 8.380 nan 0.000 0.426 369 D N -0.617 119.902 120.400 0.198 0.000 2.348 369 D HA -0.053 4.587 4.640 -0.000 0.000 0.216 369 D C 0.848 177.298 176.300 0.251 0.000 0.970 369 D CA 0.425 54.538 54.000 0.188 0.000 0.889 369 D CB -0.055 40.850 40.800 0.175 0.000 0.912 369 D HN 0.219 nan 8.370 nan 0.000 0.524 370 F N 0.910 120.900 119.950 0.066 0.000 2.767 370 F HA 0.087 4.614 4.527 -0.000 0.000 0.323 370 F C -0.100 175.726 175.800 0.044 0.000 1.091 370 F CA -0.365 57.659 58.000 0.040 0.000 1.192 370 F CB 0.409 39.420 39.000 0.017 0.000 1.056 370 F HN -0.244 nan 8.300 nan 0.000 0.571 371 K N 0.394 120.839 120.400 0.075 0.000 3.213 371 K HA -0.212 4.108 4.320 -0.000 0.000 0.266 371 K C -2.738 173.848 176.600 -0.024 0.000 0.911 371 K CA 0.599 56.895 56.287 0.015 0.000 0.684 371 K CB -3.117 29.357 32.500 -0.043 0.000 1.402 371 K HN 0.191 nan 8.250 nan 0.000 0.465 372 P HA 0.102 nan 4.420 nan 0.000 0.270 372 P C 0.553 177.889 177.300 0.060 0.000 1.227 372 P CA 0.339 63.502 63.100 0.105 0.000 0.788 372 P CB 0.935 32.784 31.700 0.250 0.000 0.926 373 A N 1.387 124.229 122.820 0.036 0.000 2.167 373 A HA 0.180 4.500 4.320 -0.000 0.000 0.208 373 A C 0.804 178.416 177.584 0.047 0.000 1.198 373 A CA 0.603 52.654 52.037 0.024 0.000 0.863 373 A CB 0.063 19.057 19.000 -0.009 0.000 0.904 373 A HN 0.445 nan 8.150 nan 0.000 0.484 374 R N -0.963 119.567 120.500 0.049 0.000 2.686 374 R HA 0.760 5.100 4.340 -0.000 0.000 0.283 374 R C -1.769 174.627 176.300 0.160 0.000 0.978 374 R CA -0.357 55.782 56.100 0.065 0.000 0.897 374 R CB 2.118 32.311 30.300 -0.177 0.000 1.192 374 R HN 0.273 nan 8.270 nan 0.000 0.457 375 I N 0.918 121.642 120.570 0.256 0.000 2.686 375 I HA 0.583 4.753 4.170 -0.000 0.000 0.295 375 I C -1.276 174.968 176.117 0.212 0.000 1.114 375 I CA -0.622 60.831 61.300 0.255 0.000 1.038 375 I CB 2.276 40.440 38.000 0.272 0.000 1.238 375 I HN 0.757 nan 8.210 nan 0.000 0.420 376 A N 7.666 130.610 122.820 0.206 0.000 2.375 376 A HA 0.682 5.002 4.320 -0.000 0.000 0.295 376 A C -1.031 176.634 177.584 0.135 0.000 1.066 376 A CA -0.372 51.708 52.037 0.071 0.000 0.722 376 A CB 0.821 19.933 19.000 0.186 0.000 1.206 376 A HN 0.587 nan 8.150 nan 0.000 0.435 377 I N 2.588 123.151 120.570 -0.011 0.000 2.307 377 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 377 I C -0.539 175.726 176.117 0.248 0.000 1.054 377 I CA -0.410 61.030 61.300 0.233 0.000 1.218 377 I CB 1.137 39.306 38.000 0.282 0.000 1.398 377 I HN 0.558 nan 8.210 nan 0.000 0.475 378 D N 5.718 126.293 120.400 0.290 0.000 2.352 378 D HA 0.109 4.749 4.640 -0.000 0.000 0.245 378 D C 0.064 176.531 176.300 0.279 0.000 1.224 378 D CA 0.722 54.863 54.000 0.235 0.000 0.879 378 D CB 0.542 41.458 40.800 0.193 0.000 1.057 378 D HN 0.510 nan 8.370 nan 0.000 0.491 379 S N 2.974 118.799 115.700 0.208 0.000 3.781 379 S HA -0.144 4.326 4.470 -0.000 0.000 0.657 379 S C 1.129 175.799 174.600 0.116 0.000 0.579 379 S CA -0.212 58.080 58.200 0.153 0.000 1.435 379 S CB -1.207 62.071 63.200 0.129 0.000 0.862 379 S HN 0.576 nan 8.310 nan 0.000 0.955 380 L N 3.360 124.679 121.223 0.160 0.000 2.027 380 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 380 L C 2.651 179.591 176.870 0.117 0.000 1.074 380 L CA 1.826 56.797 54.840 0.219 0.000 0.745 380 L CB -0.723 41.535 42.059 0.333 0.000 0.898 380 L HN 0.935 nan 8.230 nan 0.000 0.433 381 S N 0.182 115.911 115.700 0.048 0.000 2.461 381 S HA -0.229 4.241 4.470 -0.000 0.000 0.246 381 S C 1.869 176.377 174.600 -0.154 0.000 1.007 381 S CA 1.193 59.329 58.200 -0.106 0.000 0.976 381 S CB -0.235 62.937 63.200 -0.047 0.000 0.763 381 S HN 0.402 nan 8.310 nan 0.000 0.508 382 A N 0.970 123.738 122.820 -0.087 0.000 2.030 382 A HA 0.439 4.759 4.320 -0.000 0.000 0.215 382 A C 2.143 179.624 177.584 -0.172 0.000 1.164 382 A CA 0.491 52.481 52.037 -0.078 0.000 0.697 382 A CB -0.436 18.580 19.000 0.026 0.000 0.827 382 A HN 0.546 nan 8.150 nan 0.000 0.457 383 L N -0.721 120.346 121.223 -0.259 0.000 2.478 383 L HA -0.036 4.304 4.340 -0.000 0.000 0.223 383 L C 2.576 179.252 176.870 -0.324 0.000 1.140 383 L CA 0.680 55.295 54.840 -0.375 0.000 0.842 383 L CB -0.196 41.561 42.059 -0.504 0.000 0.953 383 L HN 0.431 nan 8.230 nan 0.000 0.452 384 A N -0.372 122.143 122.820 -0.508 0.000 2.218 384 A HA 0.027 4.347 4.320 -0.000 0.000 0.209 384 A C 1.032 178.369 177.584 -0.413 0.000 1.168 384 A CA -0.147 51.397 52.037 -0.823 0.000 0.804 384 A CB -0.193 17.945 19.000 -1.436 0.000 0.834 384 A HN 0.228 nan 8.150 nan 0.000 0.482 385 R N -0.173 120.165 120.500 -0.269 0.000 2.473 385 R HA 0.286 4.626 4.340 -0.000 0.000 0.315 385 R C 1.404 177.629 176.300 -0.124 0.000 0.972 385 R CA 0.784 56.787 56.100 -0.161 0.000 1.047 385 R CB -0.101 30.142 30.300 -0.095 0.000 0.932 385 R HN 0.604 nan 8.270 nan 0.000 0.411 386 G N 1.913 110.650 108.800 -0.105 0.000 3.757 386 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.215 386 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.215 386 G C 0.309 175.173 174.900 -0.060 0.000 1.411 386 G CA -0.103 44.955 45.100 -0.069 0.000 0.896 386 G HN 0.474 nan 8.290 nan 0.000 0.581 387 V N 2.974 122.849 119.914 -0.065 0.000 3.230 387 V HA 0.343 4.463 4.120 -0.000 0.000 0.302 387 V C 1.514 177.596 176.094 -0.020 0.000 1.158 387 V CA 0.770 63.052 62.300 -0.030 0.000 1.279 387 V CB 1.075 32.890 31.823 -0.013 0.000 0.983 387 V HN 1.529 nan 8.190 nan 0.000 0.506 388 S N 2.640 118.350 115.700 0.017 0.000 2.584 388 S HA 0.125 4.595 4.470 -0.000 0.000 0.273 388 S C 1.046 175.687 174.600 0.069 0.000 1.311 388 S CA -0.209 58.006 58.200 0.025 0.000 1.034 388 S CB 0.785 64.001 63.200 0.028 0.000 0.939 388 S HN 0.757 nan 8.310 nan 0.000 0.513 389 N N 2.212 120.949 118.700 0.062 0.000 2.094 389 N HA -0.183 4.556 4.740 -0.000 0.000 0.191 389 N C 0.969 176.566 175.510 0.146 0.000 1.023 389 N CA 1.530 54.653 53.050 0.121 0.000 0.857 389 N CB -0.528 38.010 38.487 0.085 0.000 1.013 389 N HN 0.669 nan 8.380 nan 0.000 0.426 390 N N 0.799 119.552 118.700 0.089 0.000 2.244 390 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 390 N C 1.610 177.161 175.510 0.069 0.000 1.016 390 N CA 0.970 54.059 53.050 0.066 0.000 0.866 390 N CB -0.450 38.059 38.487 0.038 0.000 0.980 390 N HN 0.293 nan 8.380 nan 0.000 0.430 391 A N 0.418 123.290 122.820 0.087 0.000 1.929 391 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 391 A C 2.043 179.712 177.584 0.142 0.000 1.176 391 A CA 0.657 52.750 52.037 0.092 0.000 0.628 391 A CB -0.751 18.296 19.000 0.079 0.000 0.816 391 A HN 0.241 nan 8.150 nan 0.000 0.444 392 F N 0.558 120.521 119.950 0.022 0.000 2.084 392 F HA -0.093 4.434 4.527 -0.000 0.000 0.296 392 F C 2.316 178.161 175.800 0.074 0.000 1.111 392 F CA 1.790 59.815 58.000 0.041 0.000 1.224 392 F CB -0.434 38.557 39.000 -0.014 0.000 0.991 392 F HN 0.103 nan 8.300 nan 0.000 0.471 393 R N -0.031 120.416 120.500 -0.089 0.000 2.117 393 R HA -0.243 4.097 4.340 -0.000 0.000 0.243 393 R C 2.452 178.634 176.300 -0.197 0.000 1.143 393 R CA 1.920 57.899 56.100 -0.202 0.000 0.968 393 R CB -0.548 29.727 30.300 -0.042 0.000 0.863 393 R HN 0.473 nan 8.270 nan 0.000 0.444 394 Q N -0.671 119.080 119.800 -0.082 0.000 2.124 394 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 394 Q C 1.782 177.726 176.000 -0.094 0.000 0.977 394 Q CA 1.471 57.242 55.803 -0.054 0.000 0.850 394 Q CB -0.040 28.706 28.738 0.013 0.000 0.901 394 Q HN 0.307 nan 8.270 nan 0.000 0.429 395 F N -0.107 119.708 119.950 -0.225 0.000 2.163 395 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 395 F C 1.868 177.469 175.800 -0.330 0.000 1.094 395 F CA 0.970 58.820 58.000 -0.249 0.000 1.290 395 F CB -0.326 38.537 39.000 -0.228 0.000 1.017 395 F HN -0.166 nan 8.300 nan 0.000 0.483 396 V N 1.130 120.683 119.914 -0.601 0.000 2.295 396 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 396 V C 2.488 178.268 176.094 -0.523 0.000 1.049 396 V CA 1.694 63.587 62.300 -0.678 0.000 1.024 396 V CB -0.685 30.735 31.823 -0.671 0.000 0.648 396 V HN 0.337 nan 8.190 nan 0.000 0.447 397 I N 0.971 121.326 120.570 -0.359 0.000 2.361 397 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 397 I C 2.551 178.539 176.117 -0.216 0.000 1.133 397 I CA 1.862 63.021 61.300 -0.236 0.000 1.413 397 I CB -2.003 35.912 38.000 -0.142 0.000 1.073 397 I HN 0.384 nan 8.210 nan 0.000 0.424 398 G N 0.942 109.573 108.800 -0.281 0.000 2.414 398 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.215 398 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.215 398 G C 1.802 176.554 174.900 -0.247 0.000 1.188 398 G CA 0.862 45.821 45.100 -0.235 0.000 0.783 398 G HN 0.270 nan 8.290 nan 0.000 0.537 399 V N 0.593 120.224 119.914 -0.472 0.000 2.453 399 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 399 V C 3.062 179.104 176.094 -0.087 0.000 1.048 399 V CA 2.161 64.281 62.300 -0.299 0.000 1.049 399 V CB -0.679 30.859 31.823 -0.475 0.000 0.672 399 V HN 0.353 nan 8.190 nan 0.000 0.457 400 T N 0.428 114.843 114.554 -0.232 0.000 2.708 400 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 400 T C 1.876 176.561 174.700 -0.026 0.000 1.037 400 T CA 1.735 63.742 62.100 -0.155 0.000 1.146 400 T CB -0.527 68.155 68.868 -0.309 0.000 0.865 400 T HN 0.613 nan 8.240 nan 0.000 0.435 401 G N -0.679 108.097 108.800 -0.039 0.000 2.422 401 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 401 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 401 G C 1.356 176.296 174.900 0.066 0.000 1.140 401 G CA 0.505 45.610 45.100 0.009 0.000 0.775 401 G HN 0.500 nan 8.290 nan 0.000 0.545 402 Y N 2.032 122.323 120.300 -0.015 0.000 2.089 402 Y HA -0.000 4.550 4.550 -0.000 0.000 0.282 402 Y C 2.950 178.879 175.900 0.048 0.000 1.139 402 Y CA 1.327 59.441 58.100 0.024 0.000 1.123 402 Y CB -0.687 37.786 38.460 0.022 0.000 0.980 402 Y HN 0.237 nan 8.280 nan 0.000 0.493 403 A N 0.472 123.339 122.820 0.079 0.000 1.884 403 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 403 A C 2.313 179.891 177.584 -0.010 0.000 1.197 403 A CA 2.417 54.483 52.037 0.047 0.000 0.637 403 A CB -0.841 18.271 19.000 0.186 0.000 0.827 403 A HN 0.544 nan 8.150 nan 0.000 0.450 404 K N -0.579 119.829 120.400 0.012 0.000 2.032 404 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 404 K C 2.405 178.984 176.600 -0.036 0.000 1.048 404 K CA 1.863 58.150 56.287 -0.000 0.000 0.927 404 K CB -0.224 32.277 32.500 0.002 0.000 0.712 404 K HN 0.876 nan 8.250 nan 0.000 0.441 405 Q N 0.036 119.797 119.800 -0.065 0.000 2.369 405 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 405 Q C 0.986 176.918 176.000 -0.114 0.000 0.963 405 Q CA 1.174 56.933 55.803 -0.073 0.000 0.894 405 Q CB 0.206 28.907 28.738 -0.060 0.000 0.965 405 Q HN 0.053 nan 8.270 nan 0.000 0.475 406 E N 0.999 121.092 120.200 -0.178 0.000 2.444 406 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 406 E C -0.473 176.078 176.600 -0.082 0.000 1.041 406 E CA 0.026 56.313 56.400 -0.188 0.000 0.883 406 E CB 0.167 29.644 29.700 -0.372 0.000 1.024 406 E HN 0.258 nan 8.360 nan 0.000 0.470 407 E N -0.352 119.823 120.200 -0.041 0.000 2.883 407 E HA -0.255 4.095 4.350 -0.000 0.000 0.271 407 E C -0.372 176.244 176.600 0.026 0.000 1.049 407 E CA 0.703 57.104 56.400 0.001 0.000 0.817 407 E CB -1.899 27.801 29.700 0.001 0.000 1.407 407 E HN 0.426 nan 8.360 nan 0.000 0.434 408 I N 1.860 122.446 120.570 0.027 0.000 2.304 408 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 408 I C 0.871 177.057 176.117 0.116 0.000 1.018 408 I CA -0.268 61.074 61.300 0.070 0.000 1.260 408 I CB 1.092 39.139 38.000 0.078 0.000 1.390 408 I HN -0.212 nan 8.210 nan 0.000 0.475 409 T N 4.873 119.519 114.554 0.153 0.000 2.901 409 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 409 T C 0.430 175.289 174.700 0.264 0.000 1.012 409 T CA -0.453 61.783 62.100 0.227 0.000 1.135 409 T CB 0.981 70.037 68.868 0.313 0.000 0.936 409 T HN 0.831 nan 8.240 nan 0.000 0.539 410 G N 1.953 110.852 108.800 0.164 0.000 2.609 410 G HA2 0.565 4.525 3.960 -0.000 0.000 0.308 410 G HA3 0.565 4.525 3.960 -0.000 0.000 0.308 410 G C -1.430 173.273 174.900 -0.329 0.000 1.369 410 G CA -0.647 44.414 45.100 -0.066 0.000 0.958 410 G HN 0.679 nan 8.290 nan 0.000 0.499 411 L N 2.610 123.459 121.223 -0.624 0.000 2.294 411 L HA 0.792 5.132 4.340 -0.000 0.000 0.283 411 L C -1.482 175.018 176.870 -0.618 0.000 1.015 411 L CA -0.926 53.483 54.840 -0.718 0.000 0.831 411 L CB 0.368 41.697 42.059 -1.217 0.000 1.217 411 L HN 0.336 nan 8.230 nan 0.000 0.420 412 F N 2.403 122.267 119.950 -0.144 0.000 2.480 412 F HA 0.641 5.168 4.527 -0.000 0.000 0.329 412 F C 0.754 176.525 175.800 -0.048 0.000 1.091 412 F CA -0.583 57.387 58.000 -0.050 0.000 0.972 412 F CB 2.101 41.078 39.000 -0.038 0.000 1.150 412 F HN 0.312 nan 8.300 nan 0.000 0.467 413 T N 1.592 116.258 114.554 0.188 0.000 2.929 413 T HA 0.423 4.773 4.350 -0.000 0.000 0.284 413 T C -1.140 173.630 174.700 0.118 0.000 1.014 413 T CA -0.683 61.485 62.100 0.113 0.000 1.051 413 T CB 1.135 70.065 68.868 0.105 0.000 1.028 413 T HN 0.568 nan 8.240 nan 0.000 0.485 414 N N 0.550 119.291 118.700 0.069 0.000 2.478 414 N HA 0.315 5.055 4.740 -0.000 0.000 0.291 414 N C -1.426 174.101 175.510 0.028 0.000 1.090 414 N CA -0.377 52.702 53.050 0.049 0.000 0.911 414 N CB 1.592 40.097 38.487 0.031 0.000 1.546 414 N HN 0.363 nan 8.380 nan 0.000 0.500 415 T N 1.632 116.202 114.554 0.026 0.000 2.767 415 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 415 T C -0.025 174.682 174.700 0.011 0.000 0.963 415 T CA -0.440 61.678 62.100 0.029 0.000 1.019 415 T CB 0.352 69.246 68.868 0.043 0.000 0.923 415 T HN 0.567 nan 8.240 nan 0.000 0.468 416 S N 2.811 118.521 115.700 0.016 0.000 2.545 416 S HA 0.158 4.628 4.470 -0.000 0.000 0.275 416 S C 0.809 175.430 174.600 0.035 0.000 1.299 416 S CA -0.676 57.528 58.200 0.007 0.000 1.048 416 S CB 0.833 64.030 63.200 -0.004 0.000 0.938 416 S HN 0.546 nan 8.310 nan 0.000 0.496 417 D N 1.651 122.060 120.400 0.014 0.000 2.351 417 D HA -0.049 4.591 4.640 -0.000 0.000 0.216 417 D C 0.737 177.078 176.300 0.068 0.000 0.968 417 D CA 1.090 55.109 54.000 0.031 0.000 0.899 417 D CB 0.063 40.863 40.800 0.001 0.000 0.907 417 D HN 0.904 nan 8.370 nan 0.000 0.514 418 Q N 0.179 120.016 119.800 0.061 0.000 2.274 418 Q HA 0.292 4.632 4.340 -0.000 0.000 0.268 418 Q C -0.745 175.297 176.000 0.070 0.000 1.015 418 Q CA -1.036 54.800 55.803 0.054 0.000 0.775 418 Q CB 0.913 29.612 28.738 -0.064 0.000 1.256 418 Q HN 0.013 nan 8.270 nan 0.000 0.442 419 F N 1.847 121.823 119.950 0.042 0.000 2.443 419 F HA 0.561 5.088 4.527 -0.000 0.000 0.353 419 F C 0.054 175.889 175.800 0.059 0.000 1.101 419 F CA -0.996 57.065 58.000 0.100 0.000 1.226 419 F CB 0.590 39.682 39.000 0.154 0.000 1.140 419 F HN 0.648 nan 8.300 nan 0.000 0.557 420 M N 3.364 122.972 119.600 0.014 0.000 4.047 420 M HA -0.109 4.371 4.480 -0.000 0.000 0.157 420 M C 0.738 176.877 176.300 -0.269 0.000 1.532 420 M CA 1.043 56.258 55.300 -0.142 0.000 1.097 420 M CB -1.584 30.905 32.600 -0.185 0.000 1.346 420 M HN 1.634 nan 8.290 nan 0.000 0.191 421 G N 0.742 109.406 108.800 -0.227 0.000 2.176 421 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.253 421 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.253 421 G C 0.231 174.900 174.900 -0.385 0.000 0.979 421 G CA 0.286 45.196 45.100 -0.317 0.000 0.641 421 G HN 1.963 nan 8.290 nan 0.000 0.530 422 A N 0.279 122.951 122.820 -0.247 0.000 2.545 422 A HA 0.468 4.788 4.320 -0.000 0.000 0.253 422 A C 1.051 178.521 177.584 -0.190 0.000 1.074 422 A CA 0.804 52.741 52.037 -0.167 0.000 0.760 422 A CB -0.022 18.921 19.000 -0.096 0.000 1.005 422 A HN 0.462 nan 8.150 nan 0.000 0.506 423 H N 1.206 120.254 119.070 -0.036 0.000 2.553 423 H HA 0.129 4.685 4.556 -0.000 0.000 0.265 423 H C 0.366 175.681 175.328 -0.020 0.000 0.964 423 H CA 1.071 57.104 56.048 -0.024 0.000 1.156 423 H CB 0.356 30.110 29.762 -0.013 0.000 1.411 423 H HN 0.750 nan 8.280 nan 0.000 0.558 424 S N -0.941 114.809 115.700 0.083 0.000 2.548 424 S HA 0.271 4.741 4.470 -0.000 0.000 0.286 424 S C 0.973 175.549 174.600 -0.041 0.000 1.098 424 S CA -0.733 57.495 58.200 0.046 0.000 0.930 424 S CB 1.847 65.118 63.200 0.119 0.000 1.070 424 S HN -0.147 nan 8.310 nan 0.000 0.480 425 I N 1.953 122.460 120.570 -0.105 0.000 2.127 425 I HA -0.078 4.092 4.170 -0.000 0.000 0.241 425 I C 1.224 177.287 176.117 -0.089 0.000 1.075 425 I CA 1.777 62.969 61.300 -0.180 0.000 1.334 425 I CB -0.337 37.520 38.000 -0.239 0.000 1.040 425 I HN 0.763 nan 8.210 nan 0.000 0.405 426 T N -0.323 114.211 114.554 -0.034 0.000 2.908 426 T HA 0.207 4.557 4.350 -0.000 0.000 0.290 426 T C 0.298 174.938 174.700 -0.101 0.000 1.034 426 T CA -0.616 61.455 62.100 -0.048 0.000 1.010 426 T CB 1.875 70.727 68.868 -0.027 0.000 1.068 426 T HN 0.026 nan 8.240 nan 0.000 0.481 427 D N 0.937 121.238 120.400 -0.166 0.000 2.289 427 D HA -0.028 4.612 4.640 -0.000 0.000 0.207 427 D C 1.817 177.772 176.300 -0.576 0.000 0.966 427 D CA 0.792 54.631 54.000 -0.267 0.000 0.868 427 D CB 0.226 40.928 40.800 -0.162 0.000 0.943 427 D HN 0.544 nan 8.370 nan 0.000 0.514 428 S N -0.281 115.173 115.700 -0.410 0.000 2.535 428 S HA -0.038 4.432 4.470 -0.000 0.000 0.214 428 S C 0.265 174.726 174.600 -0.231 0.000 0.980 428 S CA -0.274 57.751 58.200 -0.291 0.000 0.907 428 S CB -0.128 63.105 63.200 0.055 0.000 0.790 428 S HN 0.172 nan 8.310 nan 0.000 0.510 429 H N 1.194 120.293 119.070 0.047 0.000 2.750 429 H HA -0.088 4.468 4.556 -0.000 0.000 0.327 429 H C -0.173 175.162 175.328 0.011 0.000 1.199 429 H CA 0.499 56.560 56.048 0.022 0.000 1.149 429 H CB -2.448 27.325 29.762 0.018 0.000 1.543 429 H HN 0.348 nan 8.280 nan 0.000 0.427 434 T N 0.269 114.779 114.554 -0.074 0.000 2.859 434 T HA 0.302 4.652 4.350 -0.000 0.000 0.281 434 T C 0.583 175.264 174.700 -0.031 0.000 1.005 434 T CA -0.290 61.772 62.100 -0.064 0.000 1.025 434 T CB 1.302 70.129 68.868 -0.070 0.000 0.977 434 T HN 0.020 nan 8.240 nan 0.000 0.458 435 D N 2.199 122.585 120.400 -0.024 0.000 2.149 435 D HA 0.076 4.716 4.640 -0.000 0.000 0.206 435 D C 0.392 176.687 176.300 -0.009 0.000 0.967 435 D CA 1.071 55.070 54.000 -0.003 0.000 0.848 435 D CB 0.343 41.155 40.800 0.021 0.000 0.998 435 D HN 0.444 nan 8.370 nan 0.000 0.474 436 T N 0.653 115.176 114.554 -0.052 0.000 2.861 436 T HA 0.589 4.939 4.350 -0.000 0.000 0.287 436 T C -0.171 174.465 174.700 -0.106 0.000 1.003 436 T CA -0.471 61.572 62.100 -0.096 0.000 0.977 436 T CB 2.148 70.921 68.868 -0.159 0.000 0.996 436 T HN -0.152 nan 8.240 nan 0.000 0.448 437 I N 3.884 124.411 120.570 -0.071 0.000 2.439 437 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 437 I C -0.806 175.304 176.117 -0.011 0.000 1.021 437 I CA -0.840 60.445 61.300 -0.024 0.000 1.091 437 I CB 1.463 39.506 38.000 0.071 0.000 1.242 437 I HN 0.349 nan 8.210 nan 0.000 0.439 438 I N 7.009 127.554 120.570 -0.042 0.000 2.321 438 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 438 I C -0.485 175.616 176.117 -0.026 0.000 0.998 438 I CA -0.713 60.573 61.300 -0.023 0.000 1.227 438 I CB 1.521 39.501 38.000 -0.034 0.000 1.368 438 I HN 0.312 nan 8.210 nan 0.000 0.466 439 L N 8.597 129.821 121.223 0.001 0.000 2.305 439 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 439 L C -1.115 175.748 176.870 -0.011 0.000 1.013 439 L CA -0.211 54.616 54.840 -0.021 0.000 0.819 439 L CB 1.078 43.126 42.059 -0.018 0.000 1.227 439 L HN 0.360 nan 8.230 nan 0.000 0.417 440 L N 5.791 126.999 121.223 -0.026 0.000 2.317 440 L HA 0.685 5.025 4.340 -0.000 0.000 0.281 440 L C -0.550 176.297 176.870 -0.038 0.000 1.024 440 L CA -0.583 54.261 54.840 0.006 0.000 0.810 440 L CB 1.802 43.864 42.059 0.006 0.000 1.240 440 L HN 0.792 nan 8.230 nan 0.000 0.427 441 Q N 1.593 121.375 119.800 -0.030 0.000 2.435 441 Q HA 0.451 4.791 4.340 -0.000 0.000 0.282 441 Q C -1.801 174.119 176.000 -0.133 0.000 1.020 441 Q CA -0.945 54.797 55.803 -0.101 0.000 0.820 441 Q CB 1.557 30.281 28.738 -0.023 0.000 1.436 441 Q HN 0.375 nan 8.270 nan 0.000 0.395 442 Y N 0.489 120.820 120.300 0.051 0.000 2.319 442 Y HA 0.520 5.070 4.550 -0.000 0.000 0.328 442 Y C -0.233 175.644 175.900 -0.039 0.000 1.133 442 Y CA -0.603 57.511 58.100 0.023 0.000 1.265 442 Y CB 1.606 40.110 38.460 0.074 0.000 1.218 442 Y HN 0.378 nan 8.280 nan 0.000 0.508 443 V N 3.300 123.267 119.914 0.088 0.000 2.483 443 V HA 0.155 4.275 4.120 -0.000 0.000 0.297 443 V C -0.358 175.686 176.094 -0.083 0.000 1.027 443 V CA -1.242 60.983 62.300 -0.126 0.000 0.855 443 V CB 1.613 33.177 31.823 -0.433 0.000 0.995 443 V HN 0.728 nan 8.190 nan 0.000 0.424 444 E N 5.627 125.774 120.200 -0.088 0.000 2.003 444 E HA 0.266 4.616 4.350 -0.000 0.000 0.279 444 E C -1.124 175.424 176.600 -0.088 0.000 1.132 444 E CA -0.367 56.001 56.400 -0.053 0.000 0.888 444 E CB 0.499 30.184 29.700 -0.025 0.000 1.056 444 E HN 0.478 nan 8.360 nan 0.000 0.399 445 I N 5.295 125.829 120.570 -0.060 0.000 2.382 445 I HA 0.226 4.396 4.170 -0.000 0.000 0.285 445 I C 0.163 176.305 176.117 0.041 0.000 1.007 445 I CA -0.549 60.730 61.300 -0.035 0.000 1.142 445 I CB 0.994 38.974 38.000 -0.034 0.000 1.289 445 I HN 0.745 nan 8.210 nan 0.000 0.453 446 R N 4.013 124.554 120.500 0.069 0.000 3.152 446 R HA -0.198 4.142 4.340 -0.000 0.000 0.252 446 R C 1.050 177.375 176.300 0.041 0.000 0.930 446 R CA 0.616 56.758 56.100 0.069 0.000 0.642 446 R CB -1.611 28.740 30.300 0.085 0.000 1.205 446 R HN 1.125 nan 8.270 nan 0.000 0.452 447 G N -0.437 108.380 108.800 0.029 0.000 2.180 447 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.263 447 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.263 447 G C -0.040 174.863 174.900 0.005 0.000 0.989 447 G CA 1.056 46.165 45.100 0.015 0.000 0.692 447 G HN 0.566 nan 8.290 nan 0.000 0.526 448 E N -0.660 119.544 120.200 0.008 0.000 2.317 448 E HA 0.500 4.850 4.350 -0.000 0.000 0.270 448 E C 0.105 176.704 176.600 -0.002 0.000 0.885 448 E CA -1.032 55.369 56.400 0.001 0.000 0.760 448 E CB 0.977 30.685 29.700 0.014 0.000 1.227 448 E HN 0.110 nan 8.360 nan 0.000 0.434 449 M N 2.792 122.383 119.600 -0.014 0.000 2.435 449 M HA 0.184 4.664 4.480 -0.000 0.000 0.344 449 M C -0.056 176.284 176.300 0.068 0.000 1.329 449 M CA -0.161 55.139 55.300 -0.001 0.000 1.320 449 M CB -0.289 32.243 32.600 -0.113 0.000 1.309 449 M HN 0.450 nan 8.290 nan 0.000 0.451 450 S N 3.414 119.164 115.700 0.084 0.000 2.730 450 S HA 0.830 5.300 4.470 -0.000 0.000 0.284 450 S C -0.132 174.524 174.600 0.093 0.000 1.153 450 S CA -0.914 57.333 58.200 0.079 0.000 0.995 450 S CB 1.865 65.131 63.200 0.110 0.000 1.058 450 S HN 0.650 nan 8.310 nan 0.000 0.552 451 R N -0.365 120.097 120.500 -0.062 0.000 2.873 451 R HA 0.889 5.229 4.340 -0.000 0.000 0.264 451 R C -0.752 175.587 176.300 0.064 0.000 1.026 451 R CA -0.345 55.657 56.100 -0.162 0.000 1.002 451 R CB 1.802 31.661 30.300 -0.736 0.000 1.174 451 R HN 0.963 nan 8.270 nan 0.000 0.488 452 A N 1.333 124.318 122.820 0.274 0.000 2.515 452 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 452 A C -1.400 176.444 177.584 0.434 0.000 1.059 452 A CA -0.663 51.641 52.037 0.444 0.000 0.698 452 A CB 1.222 20.433 19.000 0.352 0.000 1.289 452 A HN 0.705 nan 8.150 nan 0.000 0.404 453 I N 1.158 121.906 120.570 0.298 0.000 2.646 453 I HA 0.724 4.894 4.170 -0.000 0.000 0.299 453 I C -1.100 175.052 176.117 0.058 0.000 1.036 453 I CA -0.765 60.549 61.300 0.023 0.000 1.074 453 I CB 2.156 39.929 38.000 -0.378 0.000 1.258 453 I HN 0.815 nan 8.210 nan 0.000 0.430 454 N N 4.633 123.358 118.700 0.042 0.000 2.406 454 N HA 0.299 5.039 4.740 -0.000 0.000 0.283 454 N C -1.933 173.625 175.510 0.080 0.000 1.074 454 N CA -0.504 52.598 53.050 0.087 0.000 0.916 454 N CB 2.144 40.722 38.487 0.152 0.000 1.639 454 N HN 0.265 nan 8.380 nan 0.000 0.485 455 V N 5.303 125.254 119.914 0.062 0.000 2.338 455 V HA 0.183 4.303 4.120 -0.000 0.000 0.255 455 V C 0.871 176.946 176.094 -0.032 0.000 1.082 455 V CA -0.217 62.081 62.300 -0.003 0.000 0.951 455 V CB -0.536 31.276 31.823 -0.018 0.000 1.102 455 V HN 0.741 nan 8.190 nan 0.000 0.489 456 F N 5.148 125.018 119.950 -0.132 0.000 2.146 456 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 456 F C 1.245 176.936 175.800 -0.182 0.000 1.096 456 F CA 1.328 59.273 58.000 -0.091 0.000 1.275 456 F CB 0.336 39.298 39.000 -0.063 0.000 1.008 456 F HN 0.501 nan 8.300 nan 0.000 0.480 457 K N -0.767 119.462 120.400 -0.286 0.000 2.556 457 K HA 0.527 4.847 4.320 -0.000 0.000 0.274 457 K C -1.489 174.859 176.600 -0.419 0.000 0.966 457 K CA -0.862 55.177 56.287 -0.414 0.000 0.865 457 K CB 1.975 34.404 32.500 -0.118 0.000 1.444 457 K HN 0.048 nan 8.250 nan 0.000 0.433 458 M N 2.318 121.727 119.600 -0.318 0.000 2.284 458 M HA 0.292 4.771 4.480 -0.000 0.000 0.281 458 M C -0.029 176.311 176.300 0.066 0.000 1.083 458 M CA -0.615 54.629 55.300 -0.093 0.000 0.965 458 M CB 2.277 34.831 32.600 -0.075 0.000 1.717 458 M HN 0.836 nan 8.290 nan 0.000 0.479 459 R N 1.211 121.776 120.500 0.108 0.000 2.066 459 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 459 R C 1.569 177.958 176.300 0.147 0.000 1.131 459 R CA 2.012 58.173 56.100 0.102 0.000 0.955 459 R CB 0.045 30.373 30.300 0.048 0.000 0.851 459 R HN 0.837 nan 8.270 nan 0.000 0.432 460 G N -1.005 107.963 108.800 0.280 0.000 3.159 460 G HA2 0.043 4.003 3.960 -0.000 0.000 0.232 460 G HA3 0.043 4.003 3.960 -0.000 0.000 0.232 460 G C 0.080 175.254 174.900 0.456 0.000 1.116 460 G CA -0.141 45.121 45.100 0.270 0.000 0.767 460 G HN 0.235 nan 8.290 nan 0.000 0.547 461 S N -1.307 114.660 115.700 0.444 0.000 2.776 461 S HA 0.482 4.952 4.470 -0.000 0.000 0.306 461 S C 0.398 175.197 174.600 0.332 0.000 1.114 461 S CA -0.512 57.899 58.200 0.352 0.000 0.973 461 S CB 1.045 64.375 63.200 0.217 0.000 1.250 461 S HN 0.331 nan 8.310 nan 0.000 0.549 462 W N 1.473 122.850 121.300 0.128 0.000 2.735 462 W HA 0.233 4.893 4.660 -0.000 0.000 0.264 462 W C 0.366 176.881 176.519 -0.006 0.000 1.233 462 W CA 1.338 58.718 57.345 0.057 0.000 1.408 462 W CB -0.660 28.803 29.460 0.005 0.000 1.038 462 W HN 1.115 nan 8.180 nan 0.000 0.603 463 H N 0.784 119.425 119.070 -0.715 0.000 2.991 463 H HA -0.282 4.274 4.556 -0.000 0.000 0.255 463 H C -0.485 173.722 175.328 -1.869 0.000 0.700 463 H CA 0.500 55.866 56.048 -1.137 0.000 0.964 463 H CB -1.010 28.464 29.762 -0.480 0.000 1.230 463 H HN 0.243 nan 8.280 nan 0.000 0.450 464 D N 2.018 121.723 120.400 -1.158 0.000 2.382 464 D HA 0.089 4.729 4.640 -0.000 0.000 0.245 464 D C 0.457 176.532 176.300 -0.376 0.000 1.120 464 D CA -0.487 53.140 54.000 -0.622 0.000 0.890 464 D CB 0.830 41.560 40.800 -0.116 0.000 1.201 464 D HN 0.547 nan 8.370 nan 0.000 0.433 465 K N 1.895 122.145 120.400 -0.250 0.000 2.397 465 K HA 0.330 4.650 4.320 -0.000 0.000 0.202 465 K C 0.097 176.689 176.600 -0.014 0.000 1.022 465 K CA -0.381 55.822 56.287 -0.140 0.000 1.141 465 K CB 0.126 32.544 32.500 -0.137 0.000 0.857 465 K HN 0.371 nan 8.250 nan 0.000 0.514 466 A N 1.138 123.967 122.820 0.015 0.000 2.302 466 A HA 0.548 4.868 4.320 -0.000 0.000 0.285 466 A C 0.009 177.650 177.584 0.096 0.000 1.105 466 A CA -0.513 51.563 52.037 0.065 0.000 0.816 466 A CB 0.166 19.207 19.000 0.068 0.000 1.067 466 A HN 0.257 nan 8.150 nan 0.000 0.489 467 I N 2.424 123.082 120.570 0.146 0.000 2.395 467 I HA 0.189 4.359 4.170 -0.000 0.000 0.282 467 I C 0.376 176.639 176.117 0.244 0.000 1.107 467 I CA -0.028 61.390 61.300 0.196 0.000 1.210 467 I CB 0.091 38.224 38.000 0.223 0.000 1.456 467 I HN 0.594 nan 8.210 nan 0.000 0.504 468 R N 3.732 124.326 120.500 0.156 0.000 2.594 468 R HA 0.226 4.566 4.340 -0.000 0.000 0.272 468 R C 0.291 176.692 176.300 0.169 0.000 1.074 468 R CA -0.421 55.737 56.100 0.095 0.000 1.105 468 R CB 0.841 31.176 30.300 0.058 0.000 1.008 468 R HN 0.548 nan 8.270 nan 0.000 0.472 469 E N 2.849 123.035 120.200 -0.023 0.000 2.283 469 E HA 0.361 4.711 4.350 -0.000 0.000 0.271 469 E C -1.079 175.630 176.600 0.181 0.000 1.031 469 E CA -0.719 55.714 56.400 0.054 0.000 0.868 469 E CB 0.832 30.322 29.700 -0.350 0.000 1.094 469 E HN 0.477 nan 8.360 nan 0.000 0.401 470 F N 0.612 120.567 119.950 0.009 0.000 2.654 470 F HA 0.520 5.047 4.527 -0.000 0.000 0.308 470 F C -1.341 174.467 175.800 0.014 0.000 1.108 470 F CA -1.366 56.631 58.000 -0.005 0.000 0.957 470 F CB 1.144 40.137 39.000 -0.012 0.000 1.309 470 F HN 0.525 nan 8.300 nan 0.000 0.446 471 M N 2.722 122.290 119.600 -0.055 0.000 2.644 471 M HA 0.773 5.253 4.480 -0.000 0.000 0.316 471 M C -1.741 174.559 176.300 -0.001 0.000 1.200 471 M CA -0.646 54.587 55.300 -0.111 0.000 0.944 471 M CB 2.294 34.879 32.600 -0.025 0.000 1.691 471 M HN 0.600 nan 8.290 nan 0.000 0.471 472 I N 1.851 122.417 120.570 -0.006 0.000 2.433 472 I HA 0.623 4.793 4.170 -0.000 0.000 0.292 472 I C -0.286 175.896 176.117 0.109 0.000 1.001 472 I CA -0.279 61.068 61.300 0.079 0.000 1.119 472 I CB 2.102 40.173 38.000 0.119 0.000 1.289 472 I HN 1.092 nan 8.210 nan 0.000 0.438 473 S N 2.704 118.481 115.700 0.128 0.000 2.900 473 S HA 0.424 4.894 4.470 -0.000 0.000 0.320 473 S C 0.239 174.956 174.600 0.195 0.000 1.130 473 S CA -0.732 57.543 58.200 0.125 0.000 0.863 473 S CB 1.503 64.748 63.200 0.073 0.000 1.295 473 S HN 0.563 nan 8.310 nan 0.000 0.596 474 D N 0.641 121.119 120.400 0.128 0.000 2.194 474 D HA 0.015 4.655 4.640 -0.000 0.000 0.204 474 D C 1.305 177.672 176.300 0.112 0.000 0.964 474 D CA 0.769 54.843 54.000 0.123 0.000 0.846 474 D CB -0.135 40.690 40.800 0.041 0.000 0.962 474 D HN 0.504 nan 8.370 nan 0.000 0.490 475 K N 0.705 121.148 120.400 0.071 0.000 2.362 475 K HA 0.122 4.442 4.320 -0.000 0.000 0.200 475 K C 1.323 177.944 176.600 0.036 0.000 1.046 475 K CA 0.589 56.898 56.287 0.038 0.000 0.952 475 K CB 0.370 32.884 32.500 0.022 0.000 0.753 475 K HN 0.189 nan 8.250 nan 0.000 0.466 476 G N 1.350 110.188 108.800 0.062 0.000 2.408 476 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.204 476 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.204 476 G C -2.974 171.899 174.900 -0.045 0.000 1.186 476 G CA -0.737 44.332 45.100 -0.051 0.000 1.139 476 G HN -0.007 nan 8.290 nan 0.000 0.563 477 P HA 0.448 nan 4.420 nan 0.000 0.293 477 P C -1.565 175.769 177.300 0.056 0.000 1.300 477 P CA 0.230 63.351 63.100 0.034 0.000 0.792 477 P CB 1.740 33.407 31.700 -0.055 0.000 0.925 478 D N 3.593 124.069 120.400 0.127 0.000 2.440 478 D HA 0.335 4.974 4.640 -0.000 0.000 0.239 478 D C -0.430 175.952 176.300 0.136 0.000 1.084 478 D CA -0.545 53.507 54.000 0.087 0.000 0.843 478 D CB 0.374 41.210 40.800 0.060 0.000 1.097 478 D HN 0.208 nan 8.370 nan 0.000 0.531 479 I N 4.556 125.172 120.570 0.078 0.000 2.291 479 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 479 I C 1.115 177.262 176.117 0.049 0.000 1.064 479 I CA -0.461 60.889 61.300 0.082 0.000 1.269 479 I CB 0.846 38.848 38.000 0.004 0.000 1.418 479 I HN 0.247 nan 8.210 nan 0.000 0.485 480 K N 4.219 124.649 120.400 0.050 0.000 2.958 480 K HA 0.306 4.626 4.320 -0.000 0.000 0.304 480 K C -0.197 176.386 176.600 -0.029 0.000 0.995 480 K CA -0.595 55.691 56.287 -0.002 0.000 1.492 480 K CB 0.359 32.841 32.500 -0.029 0.000 1.842 480 K HN 0.452 nan 8.250 nan 0.000 0.725 481 D N 0.384 120.733 120.400 -0.085 0.000 2.385 481 D HA 0.135 4.775 4.640 -0.000 0.000 0.254 481 D C -0.383 175.805 176.300 -0.186 0.000 1.053 481 D CA -0.238 53.705 54.000 -0.095 0.000 0.992 481 D CB 1.578 42.334 40.800 -0.073 0.000 1.145 481 D HN 0.443 nan 8.370 nan 0.000 0.523 482 S N -0.554 115.092 115.700 -0.091 0.000 2.614 482 S HA 0.260 4.730 4.470 -0.000 0.000 0.265 482 S C -0.031 174.521 174.600 -0.079 0.000 1.303 482 S CA -0.541 57.633 58.200 -0.043 0.000 1.000 482 S CB 0.195 63.445 63.200 0.083 0.000 0.935 482 S HN 0.288 nan 8.310 nan 0.000 0.551 483 F N 1.061 121.084 119.950 0.121 0.000 2.606 483 F HA 0.437 4.964 4.527 -0.000 0.000 0.347 483 F C 1.781 177.751 175.800 0.284 0.000 1.207 483 F CA -0.779 57.354 58.000 0.222 0.000 1.306 483 F CB -0.299 38.766 39.000 0.108 0.000 1.657 483 F HN 0.689 nan 8.300 nan 0.000 0.606 484 R N 1.831 122.513 120.500 0.304 0.000 2.103 484 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 484 R C 1.314 177.720 176.300 0.176 0.000 1.142 484 R CA 1.803 58.026 56.100 0.204 0.000 0.960 484 R CB -0.083 30.287 30.300 0.116 0.000 0.858 484 R HN 0.476 nan 8.270 nan 0.000 0.439 485 N N -0.111 118.674 118.700 0.143 0.000 2.410 485 N HA -0.008 4.732 4.740 -0.000 0.000 0.231 485 N C -1.065 174.269 175.510 -0.293 0.000 1.172 485 N CA 0.291 53.300 53.050 -0.069 0.000 0.849 485 N CB -0.190 38.204 38.487 -0.155 0.000 1.116 485 N HN 0.031 nan 8.380 nan 0.000 0.485 486 F N 0.011 120.024 119.950 0.105 0.000 2.576 486 F HA 0.441 4.968 4.527 -0.000 0.000 0.313 486 F C 0.318 176.148 175.800 0.049 0.000 1.078 486 F CA -0.911 57.134 58.000 0.075 0.000 0.921 486 F CB 2.156 41.202 39.000 0.077 0.000 1.232 486 F HN -0.131 nan 8.300 nan 0.000 0.459 487 E N 0.842 121.182 120.200 0.233 0.000 2.299 487 E HA 0.611 4.961 4.350 -0.000 0.000 0.265 487 E C -0.686 175.985 176.600 0.120 0.000 0.911 487 E CA -1.031 55.450 56.400 0.135 0.000 0.789 487 E CB 1.857 31.606 29.700 0.082 0.000 1.246 487 E HN 0.524 nan 8.360 nan 0.000 0.427 488 R N 1.042 121.585 120.500 0.073 0.000 3.656 488 R HA -0.182 4.158 4.340 -0.000 0.000 0.297 488 R C 0.880 177.178 176.300 -0.004 0.000 1.166 488 R CA -0.084 56.040 56.100 0.039 0.000 0.799 488 R CB -1.522 28.802 30.300 0.040 0.000 1.285 488 R HN 0.578 nan 8.270 nan 0.000 0.477 489 I N 0.588 121.150 120.570 -0.013 0.000 2.127 489 I HA -0.285 3.885 4.170 -0.000 0.000 0.241 489 I C 2.525 178.583 176.117 -0.099 0.000 1.075 489 I CA 1.632 62.866 61.300 -0.110 0.000 1.334 489 I CB -0.687 37.261 38.000 -0.087 0.000 1.040 489 I HN 0.287 nan 8.210 nan 0.000 0.405 490 I N 0.998 121.546 120.570 -0.037 0.000 2.361 490 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 490 I C 2.751 178.822 176.117 -0.077 0.000 1.133 490 I CA 1.546 62.823 61.300 -0.038 0.000 1.413 490 I CB -1.550 36.454 38.000 0.006 0.000 1.073 490 I HN 0.302 nan 8.210 nan 0.000 0.424 491 S N 1.082 116.742 115.700 -0.066 0.000 2.440 491 S HA -0.130 4.340 4.470 -0.000 0.000 0.240 491 S C 1.901 176.441 174.600 -0.100 0.000 1.014 491 S CA 1.600 59.749 58.200 -0.085 0.000 0.980 491 S CB -0.481 62.692 63.200 -0.046 0.000 0.775 491 S HN 0.675 nan 8.310 nan 0.000 0.499 492 G N 0.149 108.893 108.800 -0.093 0.000 2.258 492 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.233 492 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.233 492 G C 0.212 175.066 174.900 -0.078 0.000 1.006 492 G CA 0.271 45.325 45.100 -0.077 0.000 0.620 492 G HN 1.784 nan 8.290 nan 0.000 0.511 493 S N 0.801 116.457 115.700 -0.073 0.000 2.652 493 S HA 0.697 5.167 4.470 -0.000 0.000 0.252 493 S C -2.602 171.977 174.600 -0.036 0.000 1.219 493 S CA -1.070 57.097 58.200 -0.055 0.000 1.151 493 S CB 3.159 66.344 63.200 -0.026 0.000 1.080 493 S HN 0.228 nan 8.310 nan 0.000 0.481 494 P HA 0.546 nan 4.420 nan 0.000 0.282 494 P C -0.485 176.907 177.300 0.154 0.000 1.287 494 P CA -0.442 62.684 63.100 0.044 0.000 0.792 494 P CB 0.634 32.333 31.700 -0.001 0.000 1.163 495 T N 1.513 116.198 114.554 0.218 0.000 2.807 495 T HA 0.396 4.746 4.350 -0.000 0.000 0.279 495 T C -0.537 174.268 174.700 0.175 0.000 0.993 495 T CA -0.760 61.440 62.100 0.165 0.000 0.970 495 T CB 0.497 69.414 68.868 0.082 0.000 0.950 495 T HN 0.227 nan 8.240 nan 0.000 0.441 496 R N 3.056 123.572 120.500 0.027 0.000 2.265 496 R HA 0.653 4.993 4.340 -0.000 0.000 0.319 496 R C -0.550 175.615 176.300 -0.226 0.000 1.006 496 R CA -0.867 54.999 56.100 -0.391 0.000 0.880 496 R CB 0.135 30.177 30.300 -0.430 0.000 1.077 496 R HN 0.672 nan 8.270 nan 0.000 0.454 497 I N -1.473 118.942 120.570 -0.257 0.000 2.582 497 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 497 I C -0.557 175.477 176.117 -0.138 0.000 1.066 497 I CA -0.464 60.755 61.300 -0.135 0.000 1.053 497 I CB 2.722 40.678 38.000 -0.074 0.000 1.241 497 I HN 0.634 nan 8.210 nan 0.000 0.421 498 T N 2.882 117.382 114.554 -0.089 0.000 2.934 498 T HA 0.322 4.671 4.350 -0.000 0.000 0.328 498 T C 0.524 175.200 174.700 -0.039 0.000 1.068 498 T CA -0.197 61.860 62.100 -0.071 0.000 1.018 498 T CB 1.133 69.959 68.868 -0.069 0.000 1.009 498 T HN 0.927 nan 8.240 nan 0.000 0.471 499 V N 1.520 121.416 119.914 -0.030 0.000 2.809 499 V HA 0.130 4.250 4.120 -0.000 0.000 0.256 499 V C 0.642 176.728 176.094 -0.014 0.000 1.080 499 V CA 2.241 64.531 62.300 -0.016 0.000 1.102 499 V CB -0.715 31.103 31.823 -0.008 0.000 0.705 499 V HN 1.054 nan 8.190 nan 0.000 0.475 500 D N -1.351 119.039 120.400 -0.018 0.000 4.512 500 D HA 0.202 4.842 4.640 -0.000 0.000 0.329 500 D C 0.654 176.943 176.300 -0.019 0.000 1.683 500 D CA 0.645 54.638 54.000 -0.013 0.000 0.980 500 D CB 0.761 41.558 40.800 -0.005 0.000 1.476 500 D HN 0.276 nan 8.370 nan 0.000 0.668 501 E N -0.817 119.378 120.200 -0.009 0.000 3.083 501 E HA -0.207 4.143 4.350 -0.000 0.000 0.142 501 E C 0.992 177.595 176.600 0.004 0.000 0.646 501 E CA 1.251 57.649 56.400 -0.003 0.000 2.888 501 E CB -1.457 28.237 29.700 -0.011 0.000 2.063 501 E HN 0.248 nan 8.360 nan 0.000 0.772 502 K N 2.779 123.180 120.400 0.002 0.000 2.360 502 K HA 0.106 4.426 4.320 -0.000 0.000 0.201 502 K C 0.066 176.669 176.600 0.004 0.000 1.046 502 K CA 1.132 57.422 56.287 0.004 0.000 0.945 502 K CB -0.414 32.088 32.500 0.002 0.000 0.750 502 K HN 0.510 nan 8.250 nan 0.000 0.464 503 S N 1.531 117.233 115.700 0.003 0.000 2.642 503 S HA -0.078 4.392 4.470 -0.000 0.000 0.308 503 S C 0.159 174.762 174.600 0.005 0.000 1.255 503 S CA 0.012 58.214 58.200 0.004 0.000 1.057 503 S CB 0.016 63.219 63.200 0.004 0.000 0.785 503 S HN 0.492 nan 8.310 nan 0.000 0.500 504 E N 2.549 122.752 120.200 0.005 0.000 3.791 504 E HA -0.299 4.051 4.350 -0.000 0.000 0.388 504 E C 0.776 177.380 176.600 0.006 0.000 1.636 504 E CA 1.191 57.594 56.400 0.005 0.000 2.031 504 E CB -0.833 28.870 29.700 0.005 0.000 1.715 504 E HN 1.090 nan 8.360 nan 0.000 0.386 505 L N -1.839 119.388 121.223 0.006 0.000 4.110 505 L HA -0.231 4.109 4.340 -0.000 0.000 0.404 505 L C 0.747 177.620 176.870 0.005 0.000 0.763 505 L CA 2.511 57.354 54.840 0.006 0.000 2.413 505 L CB -1.840 40.224 42.059 0.008 0.000 1.244 505 L HN 1.439 nan 8.230 nan 0.000 0.614 506 S N -3.195 112.508 115.700 0.005 0.000 4.706 506 S HA 0.009 4.479 4.470 -0.000 0.000 0.040 506 S C 0.902 175.505 174.600 0.005 0.000 0.868 506 S CA 0.511 58.713 58.200 0.004 0.000 0.894 506 S CB -0.952 62.250 63.200 0.004 0.000 0.322 506 S HN 0.489 nan 8.310 nan 0.000 0.806 507 R N 1.270 121.772 120.500 0.005 0.000 2.326 507 R HA 0.099 4.439 4.340 -0.000 0.000 0.216 507 R C 0.719 177.022 176.300 0.005 0.000 1.064 507 R CA 1.438 57.541 56.100 0.005 0.000 0.827 507 R CB -1.317 28.985 30.300 0.004 0.000 0.809 507 R HN 0.755 nan 8.270 nan 0.000 0.430 508 I N 1.129 121.701 120.570 0.004 0.000 2.831 508 I HA -0.238 3.932 4.170 -0.000 0.000 0.126 508 I C 0.463 176.582 176.117 0.004 0.000 0.894 508 I CA 0.150 61.452 61.300 0.003 0.000 2.782 508 I CB -1.467 36.535 38.000 0.003 0.000 0.649 508 I HN 0.206 nan 8.210 nan 0.000 0.351 509 V N 5.758 125.675 119.914 0.004 0.000 4.184 509 V HA -0.241 3.879 4.120 -0.000 0.000 0.282 509 V C 2.165 178.262 176.094 0.004 0.000 0.867 509 V CA 0.702 63.005 62.300 0.004 0.000 0.934 509 V CB -0.322 31.503 31.823 0.004 0.000 1.139 509 V HN 0.838 nan 8.190 nan 0.000 0.428 510 R N 0.591 121.093 120.500 0.004 0.000 3.561 510 R HA -0.273 4.066 4.340 -0.000 0.000 0.540 510 R C 1.071 177.373 176.300 0.004 0.000 0.262 510 R CA 2.271 58.373 56.100 0.004 0.000 0.863 510 R CB -1.927 28.375 30.300 0.003 0.000 0.654 510 R HN 1.044 nan 8.270 nan 0.000 0.372 511 G N 0.032 108.834 108.800 0.004 0.000 3.288 511 G HA2 0.448 4.408 3.960 -0.000 0.000 0.337 511 G HA3 0.448 4.408 3.960 -0.000 0.000 0.337 511 G C 0.661 175.564 174.900 0.004 0.000 1.142 511 G CA -0.397 44.705 45.100 0.004 0.000 1.304 511 G HN 0.197 nan 8.290 nan 0.000 0.475 512 V N 0.910 120.826 119.914 0.004 0.000 3.354 512 V HA 0.101 4.221 4.120 -0.000 0.000 0.258 512 V C 1.017 177.114 176.094 0.004 0.000 1.159 512 V CA 0.839 63.141 62.300 0.004 0.000 1.125 512 V CB 0.047 31.873 31.823 0.005 0.000 0.774 512 V HN 0.395 nan 8.190 nan 0.000 0.464 513 Q N 0.038 119.840 119.800 0.004 0.000 2.240 513 Q HA 0.338 4.678 4.340 -0.000 0.000 0.260 513 Q C 0.866 176.869 176.000 0.004 0.000 1.018 513 Q CA -0.227 55.578 55.803 0.004 0.000 0.898 513 Q CB 2.070 30.811 28.738 0.005 0.000 1.301 513 Q HN 0.515 nan 8.270 nan 0.000 0.469 514 E N 0.481 120.683 120.200 0.004 0.000 2.110 514 E HA 0.184 4.534 4.350 -0.000 0.000 0.193 514 E C -0.380 176.222 176.600 0.004 0.000 0.950 514 E CA 0.270 56.672 56.400 0.003 0.000 0.840 514 E CB 0.104 29.806 29.700 0.003 0.000 0.809 514 E HN 0.520 nan 8.360 nan 0.000 0.465 515 K N -1.442 118.961 120.400 0.004 0.000 4.594 515 K HA -0.146 4.174 4.320 -0.000 0.000 0.887 515 K C 0.810 177.412 176.600 0.004 0.000 2.502 515 K CA 0.764 57.054 56.287 0.004 0.000 1.440 515 K CB -1.294 31.208 32.500 0.004 0.000 2.620 515 K HN 0.243 nan 8.250 nan 0.000 0.217 516 G N 1.122 109.925 108.800 0.004 0.000 2.505 516 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 516 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 516 G C -0.410 174.492 174.900 0.003 0.000 1.145 516 G CA 1.199 46.301 45.100 0.004 0.000 0.761 516 G HN 0.746 nan 8.290 nan 0.000 0.571 517 P HA -0.095 nan 4.420 nan 0.000 0.209 517 P C 0.548 177.850 177.300 0.003 0.000 1.167 517 P CA 1.370 64.471 63.100 0.003 0.000 0.941 517 P CB 0.153 31.855 31.700 0.003 0.000 0.787 518 E N -2.124 118.078 120.200 0.003 0.000 2.412 518 E HA 0.480 4.830 4.350 -0.000 0.000 0.279 518 E C -1.202 175.399 176.600 0.002 0.000 0.984 518 E CA -0.649 55.753 56.400 0.002 0.000 0.788 518 E CB 2.119 31.820 29.700 0.002 0.000 1.277 518 E HN 0.230 nan 8.360 nan 0.000 0.455 519 S N 0.000 115.701 115.700 0.002 0.000 2.498 519 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 519 S CA 0.000 58.201 58.200 0.002 0.000 1.107 519 S CB 0.000 63.201 63.200 0.002 0.000 0.593 519 S HN 0.000 nan 8.310 nan 0.000 0.517