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 1zj9_1_A DATA FIRST_RESID 10 DATA SEQUENCE RNEGQWALGH REPLNANEEL KKAGNPLDVR ERIENIYAKQ GFDSIDKTDL DATA SEQUENCE RGRFRWWGLY TQREQGYDGT WTGDDNIDKL EAKYFMMRVR CDGGALSAAA DATA SEQUENCE LRTLGQISTE FARDTADISD RQNVQYHWIE VENVPEIWRR LDDVGLQTTE DATA SEQUENCE ACGDCPRVVL GSPLAGESLD EVLDPTWAIE EIVRRYIGKP DFADLPRKYK DATA SEQUENCE TAISGLQDVA HEINDVAFIG VNHPEHGPGL DLWVGGGLST NPMLAQRVGA DATA SEQUENCE WVPLGEVPEV WAAVTSVFRD YGYRRLRAKA RLKFLIKDWG IAKFREVLET DATA SEQUENCE EYLKRPLIDG PAPEPVKHPI DHVGVQRLKN GLNAVGVAPI AGRVSGTILT DATA SEQUENCE AVADLMARAG SDRIRFTPYQ KLVILDIPDA LLDDLIAGLD ALGLQSRPSH DATA SEQUENCE WRRNLMACSG IEFCKLSFAE TRVRAQHLVP ELERRLEDIN SQLDVPITVN DATA SEQUENCE INGCPNSCAR IQIADIGFKG QMIDDGHGGS VEGFQVHLGG HLGLDAGFGR DATA SEQUENCE KLRQHKVTSD ELGDYIDRVV RNFVKHRSEG ERFAQWVIRA EEDDLR 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.245 176.300 -0.092 0.000 0.893 10 R CA 0.000 56.089 56.100 -0.018 0.000 0.921 10 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 11 N N 2.496 121.068 118.700 -0.212 0.000 2.497 11 N HA 0.025 2.322 4.740 -4.072 0.000 0.271 11 N C -0.378 175.004 175.510 -0.214 0.000 1.142 11 N CA 0.558 53.358 53.050 -0.416 0.000 0.965 11 N CB 1.117 39.328 38.487 -0.460 0.000 1.077 11 N HN 0.559 nan 8.380 nan 0.000 0.462 12 E N 1.888 122.005 120.200 -0.138 0.000 2.676 12 E HA 0.190 2.097 4.350 -4.072 0.000 0.222 12 E C 0.617 177.251 176.600 0.056 0.000 0.968 12 E CA 0.123 56.486 56.400 -0.063 0.000 1.090 12 E CB 0.238 29.871 29.700 -0.111 0.000 1.066 12 E HN 0.872 nan 8.360 nan 0.000 0.496 13 G N 1.915 110.760 108.800 0.073 0.000 2.141 13 G HA2 -0.283 1.234 3.960 -4.072 0.000 0.231 13 G HA3 -0.283 1.234 3.960 -4.072 0.000 0.231 13 G C 0.105 175.155 174.900 0.251 0.000 0.984 13 G CA -0.151 45.042 45.100 0.156 0.000 0.660 13 G HN 0.244 nan 8.290 nan 0.000 0.525 14 Q N -0.460 119.524 119.800 0.306 0.000 2.295 14 Q HA 0.349 2.246 4.340 -4.072 0.000 0.259 14 Q C 1.056 177.262 176.000 0.344 0.000 0.976 14 Q CA -0.900 55.069 55.803 0.276 0.000 0.923 14 Q CB 0.683 29.609 28.738 0.313 0.000 1.185 14 Q HN 0.362 nan 8.270 nan 0.000 0.410 15 W N 1.958 123.255 121.300 -0.005 0.000 2.302 15 W HA -0.285 1.933 4.660 -4.071 0.000 0.320 15 W C 2.173 178.623 176.519 -0.115 0.000 1.241 15 W CA 1.523 58.832 57.345 -0.060 0.000 1.264 15 W CB -0.993 28.415 29.460 -0.086 0.000 1.154 15 W HN 0.816 nan 8.180 nan 0.000 0.483 16 A N -0.565 122.278 122.820 0.038 0.000 2.019 16 A HA -0.109 1.767 4.320 -4.072 0.000 0.219 16 A C 1.970 179.507 177.584 -0.079 0.000 1.164 16 A CA 1.363 53.279 52.037 -0.202 0.000 0.644 16 A CB -0.860 17.588 19.000 -0.920 0.000 0.805 16 A HN 0.277 nan 8.150 nan 0.000 0.449 17 L N -1.568 119.677 121.223 0.037 0.000 2.612 17 L HA 0.209 2.106 4.340 -4.072 0.000 0.230 17 L C 1.642 178.330 176.870 -0.304 0.000 1.140 17 L CA 0.595 55.453 54.840 0.030 0.000 0.896 17 L CB -0.242 41.989 42.059 0.287 0.000 1.065 17 L HN 0.601 nan 8.230 nan 0.000 0.447 18 G N -0.567 108.090 108.800 -0.239 0.000 2.195 18 G HA2 -0.234 1.283 3.960 -4.072 0.000 0.224 18 G HA3 -0.234 1.283 3.960 -4.072 0.000 0.224 18 G C 0.322 175.058 174.900 -0.274 0.000 0.990 18 G CA -0.391 44.534 45.100 -0.292 0.000 0.639 18 G HN 0.478 nan 8.290 nan 0.000 0.514 19 H N 0.454 119.573 119.070 0.082 0.000 2.640 19 H HA 0.361 2.474 4.556 -4.072 0.000 0.220 19 H C 1.572 176.981 175.328 0.135 0.000 1.852 19 H CA 0.080 56.184 56.048 0.093 0.000 1.275 19 H CB 0.230 30.057 29.762 0.109 0.000 1.675 19 H HN 0.383 nan 8.280 nan 0.000 0.523 20 R N 0.694 121.255 120.500 0.103 0.000 2.313 20 R HA -0.018 1.879 4.340 -4.072 0.000 0.199 20 R C 0.179 176.515 176.300 0.059 0.000 0.958 20 R CA 0.086 56.188 56.100 0.004 0.000 1.047 20 R CB 0.358 30.496 30.300 -0.269 0.000 0.955 20 R HN 0.297 nan 8.270 nan 0.000 0.481 21 E N 2.293 122.552 120.200 0.098 0.000 2.290 21 E HA 0.087 1.994 4.350 -4.072 0.000 0.277 21 E C -2.218 174.445 176.600 0.105 0.000 1.035 21 E CA -2.010 54.437 56.400 0.079 0.000 0.873 21 E CB 0.952 30.697 29.700 0.075 0.000 1.029 21 E HN 0.187 nan 8.360 nan 0.000 0.419 22 P HA 0.057 nan 4.420 nan 0.000 0.268 22 P C 0.166 177.508 177.300 0.069 0.000 1.205 22 P CA 0.164 63.318 63.100 0.091 0.000 0.771 22 P CB 0.766 32.508 31.700 0.070 0.000 0.858 23 L N 0.605 121.868 121.223 0.067 0.000 3.039 23 L HA 0.259 2.156 4.340 -4.072 0.000 0.269 23 L C 0.562 177.453 176.870 0.036 0.000 1.169 23 L CA 0.065 54.931 54.840 0.044 0.000 0.986 23 L CB 0.022 42.102 42.059 0.036 0.000 1.377 23 L HN 0.295 nan 8.230 nan 0.000 0.575 24 N N -0.309 118.418 118.700 0.045 0.000 2.381 24 N HA 0.429 2.725 4.740 -4.072 0.000 0.294 24 N C 0.737 176.274 175.510 0.045 0.000 1.216 24 N CA 0.144 53.219 53.050 0.042 0.000 0.803 24 N CB 1.901 40.417 38.487 0.049 0.000 1.372 24 N HN -0.132 nan 8.380 nan 0.000 0.500 25 A N 1.107 123.952 122.820 0.041 0.000 1.930 25 A HA -0.143 1.734 4.320 -4.072 0.000 0.217 25 A C 1.615 179.232 177.584 0.054 0.000 1.175 25 A CA 1.598 53.660 52.037 0.041 0.000 0.627 25 A CB -0.679 18.343 19.000 0.036 0.000 0.815 25 A HN 0.759 nan 8.150 nan 0.000 0.443 26 N N -0.134 118.606 118.700 0.067 0.000 2.120 26 N HA -0.119 2.178 4.740 -4.072 0.000 0.188 26 N C 1.635 177.207 175.510 0.104 0.000 1.024 26 N CA 1.360 54.467 53.050 0.095 0.000 0.852 26 N CB -0.105 38.444 38.487 0.104 0.000 1.003 26 N HN 0.368 nan 8.380 nan 0.000 0.424 27 E N 0.776 121.030 120.200 0.090 0.000 2.152 27 E HA -0.142 1.764 4.350 -4.072 0.000 0.192 27 E C 1.631 178.285 176.600 0.091 0.000 0.983 27 E CA 0.592 57.054 56.400 0.103 0.000 0.818 27 E CB -0.070 29.693 29.700 0.104 0.000 0.758 27 E HN 0.479 nan 8.360 nan 0.000 0.467 28 E N 0.455 120.695 120.200 0.066 0.000 2.051 28 E HA -0.181 1.725 4.350 -4.072 0.000 0.192 28 E C 2.136 178.754 176.600 0.031 0.000 0.991 28 E CA 1.217 57.645 56.400 0.045 0.000 0.799 28 E CB -0.055 29.666 29.700 0.035 0.000 0.748 28 E HN 0.184 nan 8.360 nan 0.000 0.449 29 L N -0.609 120.632 121.223 0.029 0.000 2.362 29 L HA -0.024 1.873 4.340 -4.072 0.000 0.219 29 L C 1.791 178.637 176.870 -0.039 0.000 1.134 29 L CA 1.370 56.209 54.840 -0.001 0.000 0.807 29 L CB -0.200 41.861 42.059 0.003 0.000 0.927 29 L HN -0.133 nan 8.230 nan 0.000 0.447 30 K N 0.196 120.591 120.400 -0.008 0.000 2.305 30 K HA 0.068 1.944 4.320 -4.072 0.000 0.199 30 K C 1.478 178.076 176.600 -0.003 0.000 1.047 30 K CA 0.298 56.568 56.287 -0.029 0.000 0.976 30 K CB 0.053 32.594 32.500 0.067 0.000 0.765 30 K HN 0.201 nan 8.250 nan 0.000 0.474 31 K N 0.508 120.918 120.400 0.017 0.000 2.525 31 K HA 0.058 1.935 4.320 -4.072 0.000 0.192 31 K C 0.498 177.086 176.600 -0.021 0.000 1.029 31 K CA 0.209 56.498 56.287 0.003 0.000 1.029 31 K CB 0.478 32.985 32.500 0.012 0.000 0.814 31 K HN -0.002 nan 8.250 nan 0.000 0.503 32 A N 1.380 124.183 122.820 -0.029 0.000 3.000 32 A HA 0.544 2.421 4.320 -4.072 0.000 0.315 32 A C 0.576 178.131 177.584 -0.049 0.000 1.434 32 A CA 0.171 52.188 52.037 -0.033 0.000 1.108 32 A CB -0.449 18.536 19.000 -0.026 0.000 1.171 32 A HN 0.311 nan 8.150 nan 0.000 0.524 33 G N 1.344 110.116 108.800 -0.047 0.000 2.877 33 G HA2 -0.229 1.288 3.960 -4.072 0.000 0.279 33 G HA3 -0.229 1.288 3.960 -4.072 0.000 0.279 33 G C -0.104 174.748 174.900 -0.079 0.000 1.431 33 G CA -0.256 44.812 45.100 -0.053 0.000 0.883 33 G HN 0.947 nan 8.290 nan 0.000 0.547 34 N N 1.114 119.768 118.700 -0.077 0.000 2.442 34 N HA 0.298 2.595 4.740 -4.072 0.000 0.265 34 N C -0.684 174.715 175.510 -0.185 0.000 1.138 34 N CA -1.403 51.579 53.050 -0.112 0.000 0.956 34 N CB 1.292 39.741 38.487 -0.064 0.000 1.067 34 N HN 0.114 nan 8.380 nan 0.000 0.474 35 P HA -0.116 nan 4.420 nan 0.000 0.216 35 P C 1.566 178.673 177.300 -0.322 0.000 1.153 35 P CA 1.055 63.811 63.100 -0.573 0.000 0.858 35 P CB 0.269 31.073 31.700 -1.492 0.000 0.789 36 L N -0.592 120.457 121.223 -0.290 0.000 2.263 36 L HA -0.195 1.702 4.340 -4.072 0.000 0.216 36 L C 1.657 178.742 176.870 0.357 0.000 1.111 36 L CA 1.284 56.143 54.840 0.031 0.000 0.773 36 L CB -0.946 41.071 42.059 -0.069 0.000 0.906 36 L HN -0.036 nan 8.230 nan 0.000 0.439 37 D N -0.842 119.637 120.400 0.131 0.000 2.403 37 D HA -0.130 2.067 4.640 -4.072 0.000 0.227 37 D C 2.005 178.367 176.300 0.103 0.000 0.995 37 D CA 0.602 54.662 54.000 0.101 0.000 0.928 37 D CB 0.097 40.913 40.800 0.026 0.000 0.887 37 D HN 0.125 nan 8.370 nan 0.000 0.529 38 V N 0.355 120.381 119.914 0.186 0.000 3.444 38 V HA -0.099 1.578 4.120 -4.072 0.000 0.271 38 V C 2.243 178.353 176.094 0.026 0.000 1.188 38 V CA 0.838 63.239 62.300 0.168 0.000 1.168 38 V CB -0.358 31.634 31.823 0.282 0.000 0.810 38 V HN 0.101 nan 8.190 nan 0.000 0.500 39 R N -0.063 120.355 120.500 -0.137 0.000 2.115 39 R HA -0.091 1.806 4.340 -4.072 0.000 0.226 39 R C 2.160 178.303 176.300 -0.262 0.000 1.100 39 R CA 1.392 57.184 56.100 -0.514 0.000 0.980 39 R CB 0.061 29.714 30.300 -1.079 0.000 0.875 39 R HN 0.647 nan 8.270 nan 0.000 0.445 40 E N 0.632 120.734 120.200 -0.162 0.000 2.017 40 E HA -0.223 1.684 4.350 -4.072 0.000 0.193 40 E C 1.985 178.505 176.600 -0.133 0.000 0.997 40 E CA 1.097 57.422 56.400 -0.124 0.000 0.804 40 E CB -0.540 29.107 29.700 -0.089 0.000 0.757 40 E HN 0.288 nan 8.360 nan 0.000 0.448 41 R N 0.451 120.867 120.500 -0.139 0.000 2.139 41 R HA -0.113 1.784 4.340 -4.072 0.000 0.243 41 R C 2.535 178.623 176.300 -0.353 0.000 1.145 41 R CA 1.297 57.221 56.100 -0.293 0.000 0.976 41 R CB -0.328 29.832 30.300 -0.233 0.000 0.866 41 R HN 0.256 nan 8.270 nan 0.000 0.449 42 I N 0.386 120.916 120.570 -0.066 0.000 2.133 42 I HA -0.223 1.504 4.170 -4.072 0.000 0.238 42 I C 1.985 178.082 176.117 -0.033 0.000 1.074 42 I CA 1.583 62.905 61.300 0.037 0.000 1.342 42 I CB -0.943 37.068 38.000 0.018 0.000 1.053 42 I HN 0.244 nan 8.210 nan 0.000 0.404 43 E N 1.001 121.183 120.200 -0.030 0.000 2.028 43 E HA -0.183 1.724 4.350 -4.072 0.000 0.191 43 E C 2.069 178.629 176.600 -0.066 0.000 0.988 43 E CA 1.065 57.445 56.400 -0.032 0.000 0.799 43 E CB -0.043 29.648 29.700 -0.015 0.000 0.755 43 E HN 0.432 nan 8.360 nan 0.000 0.447 44 N N 0.443 119.083 118.700 -0.100 0.000 2.025 44 N HA -0.146 2.151 4.740 -4.072 0.000 0.194 44 N C 1.776 177.208 175.510 -0.131 0.000 1.044 44 N CA 1.245 54.230 53.050 -0.110 0.000 0.851 44 N CB -0.032 38.380 38.487 -0.127 0.000 1.036 44 N HN 0.147 nan 8.380 nan 0.000 0.422 45 I N -0.905 119.527 120.570 -0.230 0.000 3.098 45 I HA -0.028 1.699 4.170 -4.072 0.000 0.241 45 I C 1.976 178.017 176.117 -0.127 0.000 1.081 45 I CA 0.501 61.642 61.300 -0.265 0.000 1.487 45 I CB -1.542 36.134 38.000 -0.539 0.000 1.366 45 I HN -0.032 nan 8.210 nan 0.000 0.463 46 Y N 2.000 122.317 120.300 0.027 0.000 2.200 46 Y HA 0.013 2.120 4.550 -4.072 0.000 0.290 46 Y C 2.773 178.689 175.900 0.028 0.000 1.137 46 Y CA 0.905 59.033 58.100 0.048 0.000 1.163 46 Y CB -1.445 37.089 38.460 0.122 0.000 0.988 46 Y HN 0.160 nan 8.280 nan 0.000 0.518 47 A N -0.249 122.644 122.820 0.121 0.000 2.070 47 A HA -0.169 1.708 4.320 -4.072 0.000 0.220 47 A C 2.062 179.663 177.584 0.029 0.000 1.159 47 A CA 1.646 53.703 52.037 0.034 0.000 0.656 47 A CB -0.444 18.525 19.000 -0.052 0.000 0.800 47 A HN 0.295 nan 8.150 nan 0.000 0.453 48 K N -0.966 119.453 120.400 0.031 0.000 2.137 48 K HA 0.080 1.957 4.320 -4.072 0.000 0.202 48 K C 2.152 178.779 176.600 0.044 0.000 1.052 48 K CA 1.304 57.605 56.287 0.022 0.000 0.961 48 K CB -0.064 32.437 32.500 0.001 0.000 0.741 48 K HN 0.566 nan 8.250 nan 0.000 0.452 49 Q N -1.274 118.570 119.800 0.075 0.000 2.324 49 Q HA 0.238 2.134 4.340 -4.072 0.000 0.207 49 Q C 0.081 176.141 176.000 0.100 0.000 0.928 49 Q CA 0.574 56.427 55.803 0.084 0.000 0.890 49 Q CB 0.984 29.780 28.738 0.097 0.000 1.001 49 Q HN 0.324 nan 8.270 nan 0.000 0.517 50 G N -0.817 108.065 108.800 0.136 0.000 2.462 50 G HA2 -0.259 1.258 3.960 -4.072 0.000 0.685 50 G HA3 -0.259 1.258 3.960 -4.072 0.000 0.685 50 G C -0.213 174.779 174.900 0.154 0.000 1.295 50 G CA -0.365 44.821 45.100 0.142 0.000 0.941 50 G HN 0.152 nan 8.290 nan 0.000 0.554 51 F N 0.625 120.585 119.950 0.018 0.000 2.085 51 F HA -0.142 1.942 4.527 -4.072 0.000 0.299 51 F C 2.258 178.020 175.800 -0.063 0.000 1.096 51 F CA 3.068 61.054 58.000 -0.024 0.000 1.227 51 F CB -0.028 38.920 39.000 -0.086 0.000 0.983 51 F HN 0.511 nan 8.300 nan 0.000 0.482 52 D N -1.287 119.190 120.400 0.130 0.000 2.347 52 D HA -0.070 2.127 4.640 -4.072 0.000 0.215 52 D C 2.276 178.563 176.300 -0.021 0.000 0.976 52 D CA 0.992 55.023 54.000 0.052 0.000 0.884 52 D CB -0.174 40.681 40.800 0.090 0.000 0.915 52 D HN 0.337 nan 8.370 nan 0.000 0.526 53 S N 0.364 116.064 115.700 0.001 0.000 2.436 53 S HA -0.028 1.999 4.470 -4.072 0.000 0.228 53 S C 1.059 175.643 174.600 -0.028 0.000 1.014 53 S CA -0.118 58.111 58.200 0.050 0.000 0.950 53 S CB -0.540 62.758 63.200 0.163 0.000 0.784 53 S HN 0.190 nan 8.310 nan 0.000 0.504 54 I N 4.286 124.670 120.570 -0.310 0.000 2.680 54 I HA 0.017 1.744 4.170 -4.072 0.000 0.286 54 I C 0.647 176.477 176.117 -0.478 0.000 1.144 54 I CA -0.068 60.763 61.300 -0.781 0.000 1.370 54 I CB -0.330 37.047 38.000 -1.039 0.000 1.420 54 I HN 0.281 nan 8.210 nan 0.000 0.540 55 D N 6.769 127.008 120.400 -0.269 0.000 2.703 55 D HA -0.148 2.049 4.640 -4.072 0.000 0.225 55 D C 0.822 176.985 176.300 -0.229 0.000 1.119 55 D CA 0.696 54.612 54.000 -0.140 0.000 0.845 55 D CB 0.854 41.657 40.800 0.005 0.000 1.182 55 D HN 0.550 nan 8.370 nan 0.000 0.493 56 K N 1.308 121.610 120.400 -0.163 0.000 2.296 56 K HA -0.076 1.801 4.320 -4.072 0.000 0.200 56 K C 1.994 178.515 176.600 -0.132 0.000 1.048 56 K CA 1.233 57.416 56.287 -0.174 0.000 0.966 56 K CB 0.099 32.527 32.500 -0.120 0.000 0.754 56 K HN 0.606 nan 8.250 nan 0.000 0.466 57 T N -1.487 113.017 114.554 -0.082 0.000 3.067 57 T HA -0.040 1.867 4.350 -4.072 0.000 0.261 57 T C 1.290 175.971 174.700 -0.031 0.000 1.110 57 T CA 0.791 62.867 62.100 -0.042 0.000 1.113 57 T CB 0.053 68.911 68.868 -0.016 0.000 0.917 57 T HN -0.058 nan 8.240 nan 0.000 0.499 58 D N 1.110 121.475 120.400 -0.058 0.000 2.110 58 D HA 0.071 2.268 4.640 -4.072 0.000 0.202 58 D C 1.984 178.185 176.300 -0.165 0.000 0.975 58 D CA 0.589 54.593 54.000 0.008 0.000 0.839 58 D CB -0.513 40.325 40.800 0.064 0.000 0.996 58 D HN 0.274 nan 8.370 nan 0.000 0.464 59 L N 0.894 121.785 121.223 -0.554 0.000 2.043 59 L HA -0.145 1.752 4.340 -4.072 0.000 0.212 59 L C 1.983 178.637 176.870 -0.359 0.000 1.075 59 L CA 1.793 56.095 54.840 -0.897 0.000 0.752 59 L CB -0.027 41.581 42.059 -0.752 0.000 0.891 59 L HN -0.078 nan 8.230 nan 0.000 0.432 60 R N -1.698 118.703 120.500 -0.164 0.000 2.206 60 R HA 0.187 2.084 4.340 -4.072 0.000 0.198 60 R C 1.860 178.189 176.300 0.048 0.000 0.986 60 R CA 0.610 56.688 56.100 -0.038 0.000 1.029 60 R CB -0.138 30.141 30.300 -0.035 0.000 0.966 60 R HN 0.522 nan 8.270 nan 0.000 0.487 61 G N 0.749 109.598 108.800 0.081 0.000 2.765 61 G HA2 -0.075 1.441 3.960 -4.072 0.000 0.218 61 G HA3 -0.075 1.441 3.960 -4.072 0.000 0.218 61 G C 1.233 176.323 174.900 0.317 0.000 1.271 61 G CA -0.252 44.957 45.100 0.181 0.000 0.865 61 G HN 0.049 nan 8.290 nan 0.000 0.604 62 R N -0.380 120.242 120.500 0.204 0.000 2.189 62 R HA 0.082 1.979 4.340 -4.072 0.000 0.223 62 R C 2.161 178.760 176.300 0.498 0.000 1.092 62 R CA 0.455 56.672 56.100 0.194 0.000 0.989 62 R CB -0.377 29.982 30.300 0.099 0.000 0.876 62 R HN 0.282 nan 8.270 nan 0.000 0.457 63 F N 1.677 121.763 119.950 0.227 0.000 2.333 63 F HA -0.087 1.997 4.527 -4.072 0.000 0.300 63 F C 2.211 178.154 175.800 0.239 0.000 1.083 63 F CA 1.033 59.167 58.000 0.224 0.000 1.395 63 F CB -0.134 38.916 39.000 0.082 0.000 1.056 63 F HN -0.071 nan 8.300 nan 0.000 0.529 64 R N -1.097 119.640 120.500 0.395 0.000 2.075 64 R HA -0.171 1.726 4.340 -4.072 0.000 0.232 64 R C 2.102 178.444 176.300 0.071 0.000 1.126 64 R CA 1.334 57.471 56.100 0.062 0.000 0.963 64 R CB -0.785 29.416 30.300 -0.165 0.000 0.858 64 R HN 0.367 nan 8.270 nan 0.000 0.435 65 W N -0.382 120.874 121.300 -0.073 0.000 2.632 65 W HA -0.163 2.055 4.660 -4.071 0.000 0.248 65 W C 0.287 176.511 176.519 -0.491 0.000 1.259 65 W CA 0.376 57.557 57.345 -0.273 0.000 1.288 65 W CB -0.077 29.169 29.460 -0.355 0.000 1.136 65 W HN 0.277 nan 8.180 nan 0.000 0.640 66 W N -0.261 121.166 121.300 0.212 0.000 2.653 66 W HA 0.364 2.580 4.660 -4.072 0.000 0.391 66 W C 1.352 177.980 176.519 0.183 0.000 0.962 66 W CA 0.418 57.858 57.345 0.159 0.000 1.900 66 W CB 0.196 29.751 29.460 0.158 0.000 1.176 66 W HN -0.047 nan 8.180 nan 0.000 0.582 67 G N 1.334 110.302 108.800 0.281 0.000 2.147 67 G HA2 -0.304 1.213 3.960 -4.072 0.000 0.244 67 G HA3 -0.304 1.213 3.960 -4.072 0.000 0.244 67 G C -0.416 174.642 174.900 0.264 0.000 1.005 67 G CA -0.188 45.064 45.100 0.254 0.000 0.713 67 G HN 0.191 nan 8.290 nan 0.000 0.515 68 L N 0.395 121.764 121.223 0.244 0.000 2.324 68 L HA 0.577 2.474 4.340 -4.072 0.000 0.274 68 L C -0.329 176.785 176.870 0.406 0.000 1.012 68 L CA -1.144 53.834 54.840 0.229 0.000 0.859 68 L CB 0.809 42.806 42.059 -0.102 0.000 1.224 68 L HN 0.098 nan 8.230 nan 0.000 0.429 69 Y N 0.702 121.226 120.300 0.374 0.000 2.387 69 Y HA 0.366 2.473 4.550 -4.071 0.000 0.336 69 Y C 0.908 177.084 175.900 0.460 0.000 1.067 69 Y CA -0.528 57.787 58.100 0.358 0.000 1.114 69 Y CB 2.101 40.672 38.460 0.186 0.000 1.208 69 Y HN 0.385 nan 8.280 nan 0.000 0.458 70 T N 3.486 118.302 114.554 0.436 0.000 2.884 70 T HA 0.253 2.160 4.350 -4.072 0.000 0.298 70 T C -0.255 174.487 174.700 0.070 0.000 0.998 70 T CA -0.769 61.355 62.100 0.041 0.000 1.124 70 T CB 0.233 69.058 68.868 -0.071 0.000 0.931 70 T HN 0.732 nan 8.240 nan 0.000 0.531 71 Q N 3.938 123.721 119.800 -0.027 0.000 2.249 71 Q HA 0.413 2.310 4.340 -4.072 0.000 0.226 71 Q C 0.104 176.078 176.000 -0.043 0.000 0.983 71 Q CA -1.171 54.636 55.803 0.008 0.000 0.930 71 Q CB 1.027 29.755 28.738 -0.016 0.000 1.193 71 Q HN 0.675 nan 8.270 nan 0.000 0.508 72 R N 0.864 121.348 120.500 -0.026 0.000 2.490 72 R HA 0.039 1.936 4.340 -4.072 0.000 0.280 72 R C -0.557 175.693 176.300 -0.082 0.000 1.077 72 R CA -0.287 55.774 56.100 -0.066 0.000 1.065 72 R CB 0.801 31.072 30.300 -0.048 0.000 1.003 72 R HN 0.770 nan 8.270 nan 0.000 0.470 73 E N 2.480 122.603 120.200 -0.128 0.000 2.383 73 E HA -0.014 1.892 4.350 -4.072 0.000 0.264 73 E C -0.678 175.951 176.600 0.050 0.000 1.050 73 E CA -0.095 56.263 56.400 -0.070 0.000 0.896 73 E CB 0.811 30.416 29.700 -0.159 0.000 0.982 73 E HN 0.362 nan 8.360 nan 0.000 0.424 74 Q N 2.114 121.988 119.800 0.124 0.000 2.361 74 Q HA 0.237 2.134 4.340 -4.072 0.000 0.276 74 Q C 0.478 176.579 176.000 0.168 0.000 1.022 74 Q CA 1.091 56.979 55.803 0.141 0.000 0.898 74 Q CB 0.805 29.640 28.738 0.162 0.000 1.246 74 Q HN 0.916 nan 8.270 nan 0.000 0.410 75 G N 2.457 111.316 108.800 0.099 0.000 2.314 75 G HA2 -0.275 1.242 3.960 -4.072 0.000 0.292 75 G HA3 -0.275 1.242 3.960 -4.072 0.000 0.292 75 G C -0.895 173.962 174.900 -0.071 0.000 1.059 75 G CA 0.040 45.149 45.100 0.015 0.000 0.982 75 G HN 0.466 nan 8.290 nan 0.000 0.505 76 Y N 0.721 120.984 120.300 -0.062 0.000 2.326 76 Y HA 0.449 2.556 4.550 -4.072 0.000 0.331 76 Y C 0.508 176.480 175.900 0.119 0.000 0.962 76 Y CA -1.041 57.036 58.100 -0.037 0.000 1.167 76 Y CB 1.385 39.725 38.460 -0.200 0.000 1.148 76 Y HN 0.386 nan 8.280 nan 0.000 0.463 77 D N 0.554 121.159 120.400 0.342 0.000 2.478 77 D HA 0.162 2.359 4.640 -4.072 0.000 0.269 77 D C 1.575 178.033 176.300 0.262 0.000 1.232 77 D CA -0.183 53.956 54.000 0.232 0.000 1.059 77 D CB 0.434 41.323 40.800 0.148 0.000 1.104 77 D HN 0.614 nan 8.370 nan 0.000 0.566 78 G N -0.947 107.959 108.800 0.177 0.000 2.507 78 G HA2 -0.344 1.173 3.960 -4.072 0.000 0.221 78 G HA3 -0.344 1.173 3.960 -4.072 0.000 0.221 78 G C 1.381 176.405 174.900 0.207 0.000 1.119 78 G CA 1.807 47.040 45.100 0.221 0.000 0.751 78 G HN 0.618 nan 8.290 nan 0.000 0.574 79 T N -0.175 114.442 114.554 0.104 0.000 2.714 79 T HA -0.254 1.653 4.350 -4.072 0.000 0.268 79 T C 1.799 176.431 174.700 -0.114 0.000 1.036 79 T CA 1.708 63.768 62.100 -0.067 0.000 1.148 79 T CB -0.333 68.409 68.868 -0.209 0.000 0.856 79 T HN 0.654 nan 8.240 nan 0.000 0.462 80 W N 1.107 122.478 121.300 0.120 0.000 3.197 80 W HA 0.248 2.465 4.660 -4.072 0.000 0.274 80 W C 0.699 177.265 176.519 0.079 0.000 1.297 80 W CA -0.342 57.085 57.345 0.136 0.000 1.662 80 W CB -0.276 29.351 29.460 0.278 0.000 1.106 80 W HN -0.080 nan 8.180 nan 0.000 0.663 81 T N 1.502 116.197 114.554 0.235 0.000 2.769 81 T HA 0.493 2.400 4.350 -4.072 0.000 0.293 81 T C 0.403 175.164 174.700 0.102 0.000 0.931 81 T CA 0.615 62.770 62.100 0.092 0.000 1.139 81 T CB 0.227 69.024 68.868 -0.118 0.000 0.881 81 T HN 0.194 nan 8.240 nan 0.000 0.532 82 G N 2.359 111.200 108.800 0.068 0.000 2.355 82 G HA2 0.239 1.756 3.960 -4.072 0.000 0.296 82 G HA3 0.239 1.756 3.960 -4.072 0.000 0.296 82 G C -0.003 174.930 174.900 0.054 0.000 1.507 82 G CA -0.749 44.395 45.100 0.073 0.000 0.823 82 G HN 0.416 nan 8.290 nan 0.000 0.569 83 D N 0.162 120.592 120.400 0.050 0.000 2.265 83 D HA -0.104 2.093 4.640 -4.072 0.000 0.208 83 D C 1.507 177.832 176.300 0.043 0.000 0.977 83 D CA 1.593 55.618 54.000 0.041 0.000 0.871 83 D CB 0.226 41.051 40.800 0.041 0.000 0.925 83 D HN 0.647 nan 8.370 nan 0.000 0.485 84 D N -0.541 119.892 120.400 0.055 0.000 2.339 84 D HA -0.024 2.173 4.640 -4.072 0.000 0.217 84 D C 0.726 177.072 176.300 0.077 0.000 1.050 84 D CA 0.003 54.038 54.000 0.058 0.000 0.856 84 D CB -0.054 40.780 40.800 0.057 0.000 0.922 84 D HN 0.048 nan 8.370 nan 0.000 0.518 85 N N 0.772 119.522 118.700 0.084 0.000 2.200 85 N HA 0.144 2.441 4.740 -4.072 0.000 0.224 85 N C 1.902 177.417 175.510 0.009 0.000 1.179 85 N CA -0.107 53.003 53.050 0.101 0.000 0.877 85 N CB 0.936 39.549 38.487 0.209 0.000 1.072 85 N HN 0.342 nan 8.380 nan 0.000 0.519 86 I N -0.806 119.765 120.570 0.001 0.000 2.151 86 I HA -0.268 1.458 4.170 -4.072 0.000 0.243 86 I C 1.427 177.509 176.117 -0.058 0.000 1.080 86 I CA 1.620 62.902 61.300 -0.029 0.000 1.339 86 I CB -0.500 37.494 38.000 -0.010 0.000 1.039 86 I HN -0.170 nan 8.210 nan 0.000 0.409 87 D N 1.252 121.628 120.400 -0.039 0.000 2.149 87 D HA -0.149 2.048 4.640 -4.072 0.000 0.198 87 D C 2.243 178.482 176.300 -0.102 0.000 0.990 87 D CA 1.167 55.139 54.000 -0.046 0.000 0.839 87 D CB -0.019 40.769 40.800 -0.019 0.000 0.948 87 D HN 0.303 nan 8.370 nan 0.000 0.460 88 K N 0.022 120.331 120.400 -0.152 0.000 2.057 88 K HA -0.013 1.864 4.320 -4.072 0.000 0.206 88 K C 2.159 178.407 176.600 -0.586 0.000 1.050 88 K CA 0.574 56.663 56.287 -0.329 0.000 0.935 88 K CB -0.313 31.978 32.500 -0.349 0.000 0.715 88 K HN 0.285 nan 8.250 nan 0.000 0.439 89 L N 0.826 121.774 121.223 -0.460 0.000 2.341 89 L HA 0.008 1.904 4.340 -4.072 0.000 0.214 89 L C 0.883 177.594 176.870 -0.264 0.000 1.115 89 L CA 0.232 54.806 54.840 -0.444 0.000 0.820 89 L CB -0.081 41.827 42.059 -0.252 0.000 0.944 89 L HN 0.114 nan 8.230 nan 0.000 0.452 90 E N 1.366 121.458 120.200 -0.180 0.000 2.159 90 E HA 0.234 2.141 4.350 -4.072 0.000 0.272 90 E C 0.056 176.563 176.600 -0.154 0.000 1.138 90 E CA -0.476 55.861 56.400 -0.104 0.000 0.915 90 E CB 0.649 30.339 29.700 -0.017 0.000 1.028 90 E HN 0.232 nan 8.360 nan 0.000 0.423 91 A N 3.854 126.570 122.820 -0.174 0.000 2.313 91 A HA 0.089 1.966 4.320 -4.072 0.000 0.261 91 A C 0.794 178.057 177.584 -0.535 0.000 1.090 91 A CA -0.374 51.537 52.037 -0.209 0.000 0.807 91 A CB 0.447 19.411 19.000 -0.060 0.000 1.055 91 A HN 0.774 nan 8.150 nan 0.000 0.492 92 K N 0.054 119.965 120.400 -0.816 0.000 2.546 92 K HA 0.142 2.018 4.320 -4.072 0.000 0.198 92 K C -1.106 174.760 176.600 -1.224 0.000 1.028 92 K CA 0.275 55.434 56.287 -1.879 0.000 1.150 92 K CB -0.253 31.343 32.500 -1.506 0.000 0.876 92 K HN 0.577 nan 8.250 nan 0.000 0.508 93 Y N -0.346 119.653 120.300 -0.501 0.000 2.602 93 Y HA 0.486 2.593 4.550 -4.072 0.000 0.330 93 Y C -0.352 175.329 175.900 -0.364 0.000 1.114 93 Y CA -1.339 56.630 58.100 -0.218 0.000 1.182 93 Y CB 1.081 39.510 38.460 -0.053 0.000 1.305 93 Y HN -0.169 nan 8.280 nan 0.000 0.502 94 F N 1.435 121.520 119.950 0.225 0.000 2.551 94 F HA 0.410 2.494 4.527 -4.072 0.000 0.316 94 F C -0.139 175.651 175.800 -0.018 0.000 1.089 94 F CA -1.171 56.915 58.000 0.143 0.000 0.915 94 F CB 1.809 40.917 39.000 0.180 0.000 1.186 94 F HN 0.175 nan 8.300 nan 0.000 0.456 95 M N 5.545 125.231 119.600 0.144 0.000 2.077 95 M HA 0.355 2.392 4.480 -4.072 0.000 0.348 95 M C -1.408 174.912 176.300 0.034 0.000 1.252 95 M CA -0.090 55.075 55.300 -0.226 0.000 1.096 95 M CB 0.616 32.997 32.600 -0.366 0.000 1.568 95 M HN 0.766 nan 8.290 nan 0.000 0.456 96 M N 5.579 125.182 119.600 0.005 0.000 2.180 96 M HA 0.365 2.402 4.480 -4.072 0.000 0.350 96 M C -0.609 175.675 176.300 -0.028 0.000 1.125 96 M CA -0.303 55.042 55.300 0.075 0.000 1.031 96 M CB 0.975 33.654 32.600 0.132 0.000 1.623 96 M HN 0.709 nan 8.290 nan 0.000 0.451 97 R N 4.291 124.803 120.500 0.019 0.000 2.295 97 R HA 0.560 2.457 4.340 -4.072 0.000 0.324 97 R C -1.743 174.559 176.300 0.003 0.000 0.968 97 R CA -0.522 55.552 56.100 -0.043 0.000 0.837 97 R CB 1.088 31.393 30.300 0.009 0.000 1.133 97 R HN 0.593 nan 8.270 nan 0.000 0.450 98 V N 5.568 125.438 119.914 -0.073 0.000 2.383 98 V HA 0.293 1.970 4.120 -4.072 0.000 0.275 98 V C 0.463 176.576 176.094 0.032 0.000 1.036 98 V CA -0.714 61.592 62.300 0.011 0.000 0.889 98 V CB 1.080 32.890 31.823 -0.020 0.000 0.985 98 V HN 0.703 nan 8.190 nan 0.000 0.459 99 R N 4.137 124.677 120.500 0.067 0.000 2.351 99 R HA 0.260 2.157 4.340 -4.072 0.000 0.318 99 R C -0.908 175.427 176.300 0.058 0.000 1.055 99 R CA -0.173 55.958 56.100 0.051 0.000 0.968 99 R CB 0.070 30.398 30.300 0.047 0.000 0.974 99 R HN 0.777 nan 8.270 nan 0.000 0.439 100 C N 5.251 124.589 119.300 0.064 0.000 2.787 100 C HA 0.226 2.243 4.460 -4.072 0.000 0.265 100 C C -0.635 174.379 174.990 0.040 0.000 1.190 100 C CA -1.135 57.928 59.018 0.075 0.000 1.616 100 C CB -0.196 27.645 27.740 0.169 0.000 1.732 100 C HN 0.767 nan 8.230 nan 0.000 0.433 101 D N 1.925 122.328 120.400 0.004 0.000 2.376 101 D HA 0.265 2.462 4.640 -4.072 0.000 0.278 101 D C 1.257 177.541 176.300 -0.027 0.000 1.384 101 D CA 1.722 55.708 54.000 -0.024 0.000 1.033 101 D CB 0.403 41.169 40.800 -0.057 0.000 1.102 101 D HN 1.004 nan 8.370 nan 0.000 0.530 102 G N 1.711 110.504 108.800 -0.012 0.000 2.192 102 G HA2 -0.195 1.322 3.960 -4.072 0.000 0.193 102 G HA3 -0.195 1.322 3.960 -4.072 0.000 0.193 102 G C 1.063 175.961 174.900 -0.004 0.000 0.999 102 G CA 0.060 45.151 45.100 -0.016 0.000 0.659 102 G HN 0.969 nan 8.290 nan 0.000 0.503 103 G N -0.260 108.555 108.800 0.025 0.000 2.220 103 G HA2 0.118 1.635 3.960 -4.072 0.000 0.269 103 G HA3 0.118 1.635 3.960 -4.072 0.000 0.269 103 G C 1.022 175.824 174.900 -0.163 0.000 0.977 103 G CA 1.407 46.516 45.100 0.016 0.000 0.634 103 G HN 2.336 nan 8.290 nan 0.000 0.539 104 A N 0.137 122.893 122.820 -0.106 0.000 2.492 104 A HA 0.668 2.545 4.320 -4.072 0.000 0.254 104 A C 0.236 177.737 177.584 -0.139 0.000 1.091 104 A CA 0.595 52.558 52.037 -0.123 0.000 0.768 104 A CB 0.191 19.146 19.000 -0.075 0.000 1.028 104 A HN 1.090 nan 8.150 nan 0.000 0.498 105 L N 2.053 123.177 121.223 -0.165 0.000 2.506 105 L HA 0.376 2.273 4.340 -4.072 0.000 0.257 105 L C 0.410 177.221 176.870 -0.099 0.000 0.964 105 L CA -0.708 54.050 54.840 -0.137 0.000 0.836 105 L CB 2.517 44.445 42.059 -0.219 0.000 1.384 105 L HN 0.871 nan 8.230 nan 0.000 0.410 106 S N 0.615 116.282 115.700 -0.055 0.000 2.645 106 S HA 0.502 2.529 4.470 -4.072 0.000 0.266 106 S C 0.989 175.572 174.600 -0.028 0.000 1.258 106 S CA 0.071 58.250 58.200 -0.035 0.000 0.990 106 S CB 1.716 64.907 63.200 -0.015 0.000 0.967 106 S HN 0.737 nan 8.310 nan 0.000 0.556 107 A N 1.094 123.905 122.820 -0.016 0.000 1.968 107 A HA 0.268 2.145 4.320 -4.072 0.000 0.217 107 A C 2.354 179.947 177.584 0.014 0.000 1.169 107 A CA 1.399 53.435 52.037 -0.002 0.000 0.638 107 A CB -1.636 17.364 19.000 0.000 0.000 0.812 107 A HN 1.303 nan 8.150 nan 0.000 0.446 108 A N 0.194 123.023 122.820 0.014 0.000 1.883 108 A HA 0.084 1.961 4.320 -4.072 0.000 0.217 108 A C 2.513 180.120 177.584 0.037 0.000 1.186 108 A CA 2.278 54.329 52.037 0.024 0.000 0.624 108 A CB -1.069 17.944 19.000 0.020 0.000 0.822 108 A HN 1.036 nan 8.150 nan 0.000 0.444 109 A N -0.652 122.187 122.820 0.032 0.000 1.877 109 A HA -0.056 1.821 4.320 -4.072 0.000 0.216 109 A C 2.168 179.795 177.584 0.072 0.000 1.186 109 A CA 1.737 53.804 52.037 0.050 0.000 0.620 109 A CB -0.719 18.299 19.000 0.029 0.000 0.822 109 A HN 0.666 nan 8.150 nan 0.000 0.443 110 L N -0.169 121.084 121.223 0.051 0.000 2.042 110 L HA -0.174 1.723 4.340 -4.072 0.000 0.210 110 L C 2.522 179.454 176.870 0.104 0.000 1.076 110 L CA 2.388 57.280 54.840 0.086 0.000 0.749 110 L CB -0.492 41.597 42.059 0.050 0.000 0.893 110 L HN 0.500 nan 8.230 nan 0.000 0.432 111 R N -1.234 119.310 120.500 0.073 0.000 2.094 111 R HA -0.197 1.700 4.340 -4.072 0.000 0.239 111 R C 2.074 178.422 176.300 0.081 0.000 1.137 111 R CA 2.347 58.487 56.100 0.067 0.000 0.943 111 R CB -0.613 29.715 30.300 0.047 0.000 0.850 111 R HN 0.410 nan 8.270 nan 0.000 0.433 112 T N 1.800 116.406 114.554 0.087 0.000 2.665 112 T HA -0.150 1.756 4.350 -4.072 0.000 0.268 112 T C 1.698 176.485 174.700 0.145 0.000 1.035 112 T CA 1.339 63.499 62.100 0.101 0.000 1.151 112 T CB -0.208 68.723 68.868 0.105 0.000 0.862 112 T HN 0.076 nan 8.240 nan 0.000 0.438 113 L N 1.272 122.611 121.223 0.195 0.000 2.081 113 L HA -0.005 1.892 4.340 -4.072 0.000 0.212 113 L C 2.802 179.833 176.870 0.268 0.000 1.080 113 L CA 1.706 56.727 54.840 0.301 0.000 0.754 113 L CB -1.751 40.483 42.059 0.291 0.000 0.893 113 L HN 0.386 nan 8.230 nan 0.000 0.433 114 G N -1.475 107.430 108.800 0.175 0.000 2.433 114 G HA2 -0.264 1.253 3.960 -4.072 0.000 0.216 114 G HA3 -0.264 1.253 3.960 -4.072 0.000 0.216 114 G C 1.555 176.494 174.900 0.066 0.000 1.186 114 G CA 0.519 45.695 45.100 0.126 0.000 0.779 114 G HN 0.428 nan 8.290 nan 0.000 0.543 115 Q N -0.259 119.565 119.800 0.039 0.000 2.123 115 Q HA 0.133 2.030 4.340 -4.072 0.000 0.199 115 Q C 2.585 178.539 176.000 -0.077 0.000 0.966 115 Q CA 0.590 56.380 55.803 -0.022 0.000 0.845 115 Q CB -0.146 28.579 28.738 -0.021 0.000 0.907 115 Q HN 0.498 nan 8.270 nan 0.000 0.439 116 I N 0.179 120.729 120.570 -0.033 0.000 2.264 116 I HA -0.321 1.406 4.170 -4.072 0.000 0.248 116 I C 2.518 178.481 176.117 -0.256 0.000 1.111 116 I CA 1.142 62.395 61.300 -0.078 0.000 1.382 116 I CB -0.311 37.694 38.000 0.009 0.000 1.060 116 I HN 0.212 nan 8.210 nan 0.000 0.418 117 S N -0.016 115.520 115.700 -0.274 0.000 2.345 117 S HA -0.168 1.859 4.470 -4.072 0.000 0.219 117 S C 2.069 176.614 174.600 -0.092 0.000 1.031 117 S CA 2.081 60.134 58.200 -0.246 0.000 0.984 117 S CB -0.302 62.917 63.200 0.033 0.000 0.874 117 S HN 0.382 nan 8.310 nan 0.000 0.451 118 T N 1.289 115.805 114.554 -0.063 0.000 2.759 118 T HA -0.082 1.825 4.350 -4.072 0.000 0.269 118 T C 1.767 176.404 174.700 -0.106 0.000 1.042 118 T CA 1.677 63.745 62.100 -0.053 0.000 1.140 118 T CB -0.279 68.562 68.868 -0.045 0.000 0.864 118 T HN 0.598 nan 8.240 nan 0.000 0.455 119 E N -0.978 119.102 120.200 -0.201 0.000 2.127 119 E HA 0.041 1.948 4.350 -4.072 0.000 0.191 119 E C 1.035 177.420 176.600 -0.358 0.000 0.964 119 E CA 0.562 56.740 56.400 -0.369 0.000 0.832 119 E CB 0.157 29.486 29.700 -0.618 0.000 0.790 119 E HN 0.417 nan 8.360 nan 0.000 0.465 120 F N -0.858 119.037 119.950 -0.092 0.000 2.724 120 F HA 0.419 2.503 4.527 -4.072 0.000 0.306 120 F C 0.880 176.662 175.800 -0.030 0.000 1.100 120 F CA 0.122 58.080 58.000 -0.070 0.000 1.255 120 F CB 1.309 40.239 39.000 -0.117 0.000 1.072 120 F HN -0.010 nan 8.300 nan 0.000 0.589 121 A N -0.205 122.683 122.820 0.114 0.000 2.674 121 A HA 0.409 2.286 4.320 -4.072 0.000 0.286 121 A C 0.646 178.338 177.584 0.181 0.000 0.980 121 A CA -0.445 51.675 52.037 0.138 0.000 1.028 121 A CB -0.331 18.653 19.000 -0.027 0.000 1.199 121 A HN 0.217 nan 8.150 nan 0.000 0.499 122 R N 0.204 120.772 120.500 0.113 0.000 3.387 122 R HA -0.249 1.648 4.340 -4.072 0.000 0.254 122 R C -0.001 176.351 176.300 0.086 0.000 1.006 122 R CA 0.794 56.920 56.100 0.044 0.000 0.677 122 R CB -1.554 28.699 30.300 -0.077 0.000 1.063 122 R HN 0.579 nan 8.270 nan 0.000 0.453 123 D N -1.460 118.982 120.400 0.070 0.000 3.059 123 D HA -0.148 2.048 4.640 -4.072 0.000 0.213 123 D C -0.082 176.309 176.300 0.153 0.000 1.144 123 D CA 2.171 56.222 54.000 0.085 0.000 0.975 123 D CB -0.482 40.355 40.800 0.061 0.000 1.125 123 D HN 0.680 nan 8.370 nan 0.000 0.412 124 T N -1.612 113.073 114.554 0.219 0.000 2.851 124 T HA 0.640 2.546 4.350 -4.072 0.000 0.298 124 T C 0.104 174.990 174.700 0.310 0.000 0.977 124 T CA 0.050 62.317 62.100 0.277 0.000 1.126 124 T CB 1.983 71.056 68.868 0.341 0.000 0.916 124 T HN 0.527 nan 8.240 nan 0.000 0.529 125 A N 3.324 126.294 122.820 0.251 0.000 2.456 125 A HA 0.613 2.490 4.320 -4.072 0.000 0.288 125 A C -1.186 176.458 177.584 0.100 0.000 1.042 125 A CA -0.949 51.214 52.037 0.208 0.000 0.738 125 A CB 1.363 20.494 19.000 0.217 0.000 1.266 125 A HN 0.836 nan 8.150 nan 0.000 0.407 126 D N 2.470 122.889 120.400 0.030 0.000 2.757 126 D HA 0.402 2.598 4.640 -4.072 0.000 0.249 126 D C -0.562 175.658 176.300 -0.133 0.000 1.168 126 D CA -0.115 53.880 54.000 -0.009 0.000 0.870 126 D CB 2.023 42.866 40.800 0.072 0.000 1.411 126 D HN 0.484 nan 8.370 nan 0.000 0.525 127 I N 1.820 122.277 120.570 -0.188 0.000 2.452 127 I HA 0.000 1.727 4.170 -4.072 0.000 0.287 127 I C 1.450 177.465 176.117 -0.170 0.000 1.079 127 I CA -0.047 61.069 61.300 -0.308 0.000 1.387 127 I CB 0.522 38.312 38.000 -0.350 0.000 1.404 127 I HN 0.232 nan 8.210 nan 0.000 0.522 128 S N 3.438 119.035 115.700 -0.172 0.000 2.608 128 S HA 0.069 2.096 4.470 -4.072 0.000 0.261 128 S C 0.655 175.205 174.600 -0.083 0.000 1.314 128 S CA -0.499 57.638 58.200 -0.104 0.000 0.992 128 S CB 0.879 64.017 63.200 -0.104 0.000 0.935 128 S HN 0.732 nan 8.310 nan 0.000 0.564 129 D N -0.535 119.821 120.400 -0.073 0.000 2.352 129 D HA 0.084 2.281 4.640 -4.072 0.000 0.236 129 D C 0.815 177.045 176.300 -0.116 0.000 1.148 129 D CA 0.018 53.962 54.000 -0.093 0.000 0.844 129 D CB -0.291 40.449 40.800 -0.101 0.000 0.933 129 D HN 0.572 nan 8.370 nan 0.000 0.507 130 R N -0.291 120.159 120.500 -0.083 0.000 2.600 130 R HA 0.189 2.086 4.340 -4.072 0.000 0.392 130 R C -0.049 176.238 176.300 -0.022 0.000 1.032 130 R CA -0.157 55.902 56.100 -0.068 0.000 1.139 130 R CB 0.275 30.536 30.300 -0.065 0.000 1.400 130 R HN 0.009 nan 8.270 nan 0.000 0.566 131 Q N -0.774 119.028 119.800 0.003 0.000 2.385 131 Q HA -0.170 1.727 4.340 -4.072 0.000 0.215 131 Q C -0.429 175.660 176.000 0.148 0.000 0.671 131 Q CA 0.802 56.674 55.803 0.115 0.000 1.335 131 Q CB -0.924 27.895 28.738 0.134 0.000 1.425 131 Q HN 0.279 nan 8.270 nan 0.000 0.781 132 N N 0.099 118.795 118.700 -0.007 0.000 2.413 132 N HA 0.534 2.831 4.740 -4.072 0.000 0.266 132 N C -0.055 175.297 175.510 -0.263 0.000 1.238 132 N CA 0.229 53.247 53.050 -0.053 0.000 0.972 132 N CB 1.025 39.471 38.487 -0.068 0.000 1.210 132 N HN 0.121 nan 8.380 nan 0.000 0.547 133 V N -2.068 117.684 119.914 -0.271 0.000 2.715 133 V HA 0.581 2.258 4.120 -4.072 0.000 0.310 133 V C -0.610 175.260 176.094 -0.374 0.000 1.054 133 V CA -0.773 61.300 62.300 -0.378 0.000 0.928 133 V CB 1.785 33.371 31.823 -0.396 0.000 1.007 133 V HN 0.460 nan 8.190 nan 0.000 0.437 134 Q N 2.197 121.793 119.800 -0.340 0.000 2.353 134 Q HA 0.570 2.467 4.340 -4.072 0.000 0.268 134 Q C -1.867 173.945 176.000 -0.315 0.000 1.045 134 Q CA -0.589 55.012 55.803 -0.338 0.000 0.811 134 Q CB 2.830 31.445 28.738 -0.205 0.000 1.305 134 Q HN 0.835 nan 8.270 nan 0.000 0.447 135 Y N 0.182 120.358 120.300 -0.208 0.000 2.453 135 Y HA 0.454 2.561 4.550 -4.072 0.000 0.326 135 Y C -0.035 175.555 175.900 -0.517 0.000 1.186 135 Y CA -0.537 57.457 58.100 -0.178 0.000 1.200 135 Y CB 1.244 39.669 38.460 -0.058 0.000 1.247 135 Y HN 0.604 nan 8.280 nan 0.000 0.482 136 H N -2.166 116.857 119.070 -0.079 0.000 2.907 136 H HA 0.335 2.448 4.556 -4.072 0.000 0.361 136 H C -1.271 173.986 175.328 -0.119 0.000 1.194 136 H CA -1.379 54.408 56.048 -0.435 0.000 1.152 136 H CB 1.090 29.977 29.762 -1.458 0.000 1.867 136 H HN 0.723 nan 8.280 nan 0.000 0.561 137 W N -0.526 120.778 121.300 0.007 0.000 3.456 137 W HA -0.204 2.013 4.660 -4.072 0.000 0.314 137 W C -0.711 175.945 176.519 0.227 0.000 1.192 137 W CA -0.086 57.240 57.345 -0.031 0.000 0.654 137 W CB -1.679 27.685 29.460 -0.160 0.000 2.251 137 W HN 0.286 nan 8.180 nan 0.000 1.360 138 I N 1.385 122.184 120.570 0.381 0.000 2.474 138 I HA 0.104 1.831 4.170 -4.072 0.000 0.287 138 I C 0.912 177.266 176.117 0.396 0.000 1.048 138 I CA 0.268 61.757 61.300 0.315 0.000 1.383 138 I CB 0.586 38.693 38.000 0.179 0.000 1.412 138 I HN -0.087 nan 8.210 nan 0.000 0.531 139 E N 4.963 125.317 120.200 0.256 0.000 2.207 139 E HA 0.143 2.050 4.350 -4.072 0.000 0.270 139 E C 0.521 177.185 176.600 0.107 0.000 0.927 139 E CA -0.600 55.929 56.400 0.215 0.000 0.799 139 E CB 2.447 32.216 29.700 0.116 0.000 1.172 139 E HN 0.444 nan 8.360 nan 0.000 0.404 140 V N 2.782 122.818 119.914 0.205 0.000 2.380 140 V HA -0.321 1.356 4.120 -4.072 0.000 0.251 140 V C 1.433 177.480 176.094 -0.079 0.000 1.063 140 V CA 2.302 64.634 62.300 0.053 0.000 1.055 140 V CB -0.331 31.617 31.823 0.208 0.000 0.657 140 V HN 0.673 nan 8.190 nan 0.000 0.455 141 E N 1.057 121.236 120.200 -0.034 0.000 2.169 141 E HA -0.218 1.688 4.350 -4.072 0.000 0.202 141 E C 1.637 178.111 176.600 -0.210 0.000 1.016 141 E CA 1.956 58.307 56.400 -0.081 0.000 0.817 141 E CB -0.340 29.341 29.700 -0.032 0.000 0.736 141 E HN 0.703 nan 8.360 nan 0.000 0.462 142 N N -0.764 117.725 118.700 -0.351 0.000 2.230 142 N HA 0.043 2.339 4.740 -4.072 0.000 0.202 142 N C 1.119 176.234 175.510 -0.659 0.000 1.119 142 N CA 0.088 52.729 53.050 -0.681 0.000 0.851 142 N CB 0.622 38.324 38.487 -1.308 0.000 0.990 142 N HN 0.008 nan 8.380 nan 0.000 0.497 143 V N 1.930 121.507 119.914 -0.562 0.000 2.307 143 V HA -0.104 1.573 4.120 -4.072 0.000 0.245 143 V C -0.598 174.968 176.094 -0.879 0.000 1.045 143 V CA 1.700 63.509 62.300 -0.820 0.000 1.024 143 V CB -1.201 30.036 31.823 -0.977 0.000 0.651 143 V HN 0.157 nan 8.190 nan 0.000 0.449 144 P HA -0.154 nan 4.420 nan 0.000 0.216 144 P C 1.724 178.968 177.300 -0.093 0.000 1.150 144 P CA 1.238 64.230 63.100 -0.181 0.000 0.837 144 P CB 0.012 31.654 31.700 -0.097 0.000 0.786 145 E N -0.528 119.574 120.200 -0.164 0.000 2.106 145 E HA -0.127 1.780 4.350 -4.072 0.000 0.192 145 E C 1.987 178.578 176.600 -0.015 0.000 0.984 145 E CA 0.977 57.342 56.400 -0.059 0.000 0.806 145 E CB -0.476 29.188 29.700 -0.061 0.000 0.750 145 E HN 0.255 nan 8.360 nan 0.000 0.458 146 I N -0.394 120.084 120.570 -0.153 0.000 2.233 146 I HA -0.250 1.477 4.170 -4.072 0.000 0.243 146 I C 2.327 178.494 176.117 0.083 0.000 1.093 146 I CA 0.652 61.922 61.300 -0.050 0.000 1.380 146 I CB -0.363 37.537 38.000 -0.166 0.000 1.067 146 I HN 0.189 nan 8.210 nan 0.000 0.413 147 W N 1.229 122.518 121.300 -0.018 0.000 2.317 147 W HA -0.203 2.014 4.660 -4.072 0.000 0.318 147 W C 2.768 179.286 176.519 -0.001 0.000 1.227 147 W CA 0.935 58.269 57.345 -0.018 0.000 1.269 147 W CB -1.183 28.220 29.460 -0.094 0.000 1.155 147 W HN 0.142 nan 8.180 nan 0.000 0.484 148 R N 0.630 121.272 120.500 0.237 0.000 2.119 148 R HA -0.206 1.691 4.340 -4.072 0.000 0.246 148 R C 2.190 178.562 176.300 0.120 0.000 1.146 148 R CA 1.628 57.809 56.100 0.136 0.000 0.962 148 R CB -0.517 29.841 30.300 0.096 0.000 0.863 148 R HN 0.202 nan 8.270 nan 0.000 0.442 149 R N -0.117 120.462 120.500 0.133 0.000 2.075 149 R HA -0.007 1.890 4.340 -4.072 0.000 0.226 149 R C 2.493 178.871 176.300 0.130 0.000 1.114 149 R CA 0.909 57.084 56.100 0.124 0.000 0.972 149 R CB -0.331 30.052 30.300 0.139 0.000 0.869 149 R HN 0.236 nan 8.270 nan 0.000 0.437 150 L N 0.641 121.963 121.223 0.164 0.000 2.093 150 L HA -0.184 1.713 4.340 -4.072 0.000 0.208 150 L C 2.190 179.137 176.870 0.127 0.000 1.085 150 L CA 1.064 56.003 54.840 0.165 0.000 0.755 150 L CB -0.459 41.732 42.059 0.220 0.000 0.904 150 L HN 0.115 nan 8.230 nan 0.000 0.435 151 D N 0.357 120.830 120.400 0.121 0.000 2.104 151 D HA -0.231 1.966 4.640 -4.072 0.000 0.194 151 D C 1.729 178.066 176.300 0.061 0.000 0.994 151 D CA 1.244 55.292 54.000 0.081 0.000 0.830 151 D CB -0.055 40.785 40.800 0.068 0.000 0.959 151 D HN 0.167 nan 8.370 nan 0.000 0.452 152 D N -0.532 119.906 120.400 0.063 0.000 2.220 152 D HA -0.153 2.044 4.640 -4.072 0.000 0.198 152 D C 1.723 178.051 176.300 0.046 0.000 1.001 152 D CA 1.449 55.479 54.000 0.050 0.000 0.875 152 D CB 0.070 40.903 40.800 0.054 0.000 0.921 152 D HN 0.344 nan 8.370 nan 0.000 0.454 153 V N -4.410 115.538 119.914 0.056 0.000 3.427 153 V HA 0.517 2.194 4.120 -4.072 0.000 0.305 153 V C 1.092 177.211 176.094 0.041 0.000 1.412 153 V CA 0.122 62.450 62.300 0.048 0.000 1.086 153 V CB 0.137 31.995 31.823 0.059 0.000 0.964 153 V HN 0.124 nan 8.190 nan 0.000 0.439 154 G N 1.205 110.031 108.800 0.042 0.000 2.326 154 G HA2 -0.198 1.319 3.960 -4.072 0.000 0.286 154 G HA3 -0.198 1.319 3.960 -4.072 0.000 0.286 154 G C -0.545 174.380 174.900 0.041 0.000 1.096 154 G CA 0.579 45.697 45.100 0.031 0.000 1.003 154 G HN 0.580 nan 8.290 nan 0.000 0.503 155 L N -0.807 120.457 121.223 0.068 0.000 2.393 155 L HA 0.800 2.697 4.340 -4.072 0.000 0.260 155 L C 0.193 177.132 176.870 0.115 0.000 1.002 155 L CA -1.127 53.765 54.840 0.087 0.000 0.818 155 L CB 2.305 44.428 42.059 0.108 0.000 1.369 155 L HN 0.587 nan 8.230 nan 0.000 0.412 156 Q N -0.945 118.928 119.800 0.122 0.000 2.687 156 Q HA 0.568 2.465 4.340 -4.072 0.000 0.305 156 Q C -0.557 175.563 176.000 0.199 0.000 1.006 156 Q CA -0.601 55.295 55.803 0.156 0.000 0.763 156 Q CB 2.047 30.849 28.738 0.106 0.000 1.506 156 Q HN 0.586 nan 8.270 nan 0.000 0.459 157 T N -3.746 110.973 114.554 0.276 0.000 3.084 157 T HA 0.176 2.082 4.350 -4.072 0.000 0.270 157 T C 0.066 174.886 174.700 0.201 0.000 1.008 157 T CA -0.104 62.175 62.100 0.299 0.000 0.900 157 T CB -0.038 69.139 68.868 0.515 0.000 1.084 157 T HN 0.531 nan 8.240 nan 0.000 0.538 158 T N 3.815 118.429 114.554 0.099 0.000 2.871 158 T HA 0.127 2.034 4.350 -4.072 0.000 0.296 158 T C 0.351 174.948 174.700 -0.171 0.000 0.998 158 T CA 0.250 62.233 62.100 -0.194 0.000 1.162 158 T CB -0.136 68.612 68.868 -0.199 0.000 0.947 158 T HN 0.558 nan 8.240 nan 0.000 0.536 159 E N 0.116 120.151 120.200 -0.275 0.000 2.403 159 E HA -0.309 1.598 4.350 -4.072 0.000 0.241 159 E C 1.089 177.615 176.600 -0.124 0.000 1.201 159 E CA 0.324 56.591 56.400 -0.222 0.000 0.721 159 E CB -1.385 28.229 29.700 -0.143 0.000 1.245 159 E HN 0.800 nan 8.360 nan 0.000 0.392 160 A N -1.048 121.737 122.820 -0.058 0.000 2.072 160 A HA 0.098 1.975 4.320 -4.072 0.000 0.216 160 A C 1.112 178.713 177.584 0.029 0.000 1.156 160 A CA 0.852 52.894 52.037 0.008 0.000 0.701 160 A CB 0.485 19.523 19.000 0.064 0.000 0.816 160 A HN 0.427 nan 8.150 nan 0.000 0.458 161 C N -3.425 115.871 119.300 -0.007 0.000 3.119 161 C HA 0.831 2.847 4.460 -4.072 0.000 0.359 161 C C 0.779 175.537 174.990 -0.386 0.000 1.486 161 C CA 0.079 59.096 59.018 -0.001 0.000 1.556 161 C CB 0.970 28.829 27.740 0.200 0.000 2.063 161 C HN 1.410 nan 8.230 nan 0.000 0.454 162 G N 0.941 109.430 108.800 -0.519 0.000 2.661 162 G HA2 -0.033 1.484 3.960 -4.072 0.000 0.685 162 G HA3 -0.033 1.484 3.960 -4.072 0.000 0.685 162 G C -1.345 173.056 174.900 -0.832 0.000 1.298 162 G CA -0.580 43.789 45.100 -1.217 0.000 0.855 162 G HN 0.683 nan 8.290 nan 0.000 0.560 163 D N 1.034 120.932 120.400 -0.837 0.000 2.671 163 D HA 0.453 2.650 4.640 -4.072 0.000 0.228 163 D C 0.884 177.117 176.300 -0.112 0.000 1.102 163 D CA 0.991 54.877 54.000 -0.191 0.000 1.044 163 D CB -0.949 39.915 40.800 0.107 0.000 1.113 163 D HN 1.037 nan 8.370 nan 0.000 0.480 164 C N -1.604 117.599 119.300 -0.162 0.000 3.295 164 C HA 0.578 2.595 4.460 -4.072 0.000 0.341 164 C C -2.943 172.078 174.990 0.051 0.000 1.418 164 C CA -2.279 56.710 59.018 -0.049 0.000 1.240 164 C CB 1.287 28.933 27.740 -0.156 0.000 1.562 164 C HN 0.046 nan 8.230 nan 0.000 0.457 165 P HA 0.238 nan 4.420 nan 0.000 0.264 165 P C 0.003 177.390 177.300 0.144 0.000 1.229 165 P CA 0.418 63.691 63.100 0.287 0.000 0.780 165 P CB 0.293 32.261 31.700 0.445 0.000 0.808 166 R N 2.063 122.622 120.500 0.098 0.000 2.995 166 R HA 0.115 2.012 4.340 -4.072 0.000 0.287 166 R C 0.349 176.672 176.300 0.038 0.000 1.168 166 R CA -0.580 55.539 56.100 0.031 0.000 1.183 166 R CB -0.651 29.648 30.300 -0.001 0.000 1.157 166 R HN 0.301 nan 8.270 nan 0.000 0.577 167 V N -0.796 119.123 119.914 0.009 0.000 2.814 167 V HA 0.047 1.724 4.120 -4.072 0.000 0.307 167 V C 0.623 176.716 176.094 -0.002 0.000 1.089 167 V CA -0.509 61.792 62.300 0.001 0.000 1.212 167 V CB 0.111 31.932 31.823 -0.003 0.000 0.912 167 V HN 0.253 nan 8.190 nan 0.000 0.497 168 V N 5.948 125.851 119.914 -0.019 0.000 2.406 168 V HA 0.312 1.989 4.120 -4.072 0.000 0.272 168 V C 0.420 176.497 176.094 -0.029 0.000 1.043 168 V CA -0.445 61.837 62.300 -0.030 0.000 0.915 168 V CB 0.879 32.646 31.823 -0.093 0.000 0.988 168 V HN 0.738 nan 8.190 nan 0.000 0.466 169 L N 4.594 125.804 121.223 -0.022 0.000 2.439 169 L HA 0.705 2.602 4.340 -4.072 0.000 0.269 169 L C 0.837 177.702 176.870 -0.009 0.000 1.179 169 L CA 0.259 55.088 54.840 -0.018 0.000 0.828 169 L CB 0.503 42.542 42.059 -0.033 0.000 1.106 169 L HN 0.778 nan 8.230 nan 0.000 0.467 170 G N 0.305 109.105 108.800 0.000 0.000 2.690 170 G HA2 0.368 1.885 3.960 -4.072 0.000 0.291 170 G HA3 0.368 1.885 3.960 -4.072 0.000 0.291 170 G C -1.278 173.641 174.900 0.031 0.000 1.403 170 G CA -0.493 44.612 45.100 0.009 0.000 0.864 170 G HN 0.480 nan 8.290 nan 0.000 0.480 171 S N 0.170 115.896 115.700 0.043 0.000 2.537 171 S HA 0.238 2.265 4.470 -4.072 0.000 0.286 171 S C -0.958 173.656 174.600 0.023 0.000 1.299 171 S CA -0.656 57.588 58.200 0.073 0.000 1.067 171 S CB 1.045 64.294 63.200 0.082 0.000 0.864 171 S HN 0.239 nan 8.310 nan 0.000 0.494 172 P HA -0.019 nan 4.420 nan 0.000 0.221 172 P C 0.226 177.421 177.300 -0.175 0.000 1.145 172 P CA 0.855 63.927 63.100 -0.047 0.000 0.795 172 P CB 0.108 31.826 31.700 0.029 0.000 0.775 173 L N -1.401 119.665 121.223 -0.261 0.000 3.094 173 L HA 0.324 2.220 4.340 -4.072 0.000 0.254 173 L C 0.477 177.291 176.870 -0.094 0.000 1.298 173 L CA -0.645 54.055 54.840 -0.233 0.000 1.050 173 L CB -0.604 41.225 42.059 -0.383 0.000 1.420 173 L HN -0.204 nan 8.230 nan 0.000 0.548 174 A N -0.091 122.696 122.820 -0.055 0.000 2.515 174 A HA 0.456 2.333 4.320 -4.072 0.000 0.263 174 A C 1.494 179.067 177.584 -0.019 0.000 1.096 174 A CA 0.785 52.811 52.037 -0.019 0.000 0.769 174 A CB -0.479 18.515 19.000 -0.010 0.000 1.040 174 A HN 0.783 nan 8.150 nan 0.000 0.505 175 G N 1.826 110.623 108.800 -0.006 0.000 2.194 175 G HA2 -0.174 1.343 3.960 -4.072 0.000 0.236 175 G HA3 -0.174 1.343 3.960 -4.072 0.000 0.236 175 G C 0.403 175.299 174.900 -0.007 0.000 0.987 175 G CA 0.504 45.603 45.100 -0.002 0.000 0.635 175 G HN 0.685 nan 8.290 nan 0.000 0.520 176 E N -0.270 119.919 120.200 -0.017 0.000 2.535 176 E HA 0.170 2.077 4.350 -4.072 0.000 0.216 176 E C 1.039 177.631 176.600 -0.013 0.000 0.845 176 E CA 0.579 56.969 56.400 -0.018 0.000 1.306 176 E CB 0.384 30.066 29.700 -0.029 0.000 1.291 176 E HN 0.492 nan 8.360 nan 0.000 0.635 177 S N 1.397 117.088 115.700 -0.015 0.000 2.546 177 S HA 0.048 2.075 4.470 -4.072 0.000 0.290 177 S C 1.323 175.937 174.600 0.023 0.000 1.290 177 S CA -0.201 58.002 58.200 0.007 0.000 1.069 177 S CB 0.314 63.530 63.200 0.027 0.000 0.846 177 S HN 0.155 nan 8.310 nan 0.000 0.495 178 L N 3.218 124.458 121.223 0.029 0.000 2.376 178 L HA 0.050 1.947 4.340 -4.072 0.000 0.219 178 L C 1.149 178.042 176.870 0.039 0.000 1.133 178 L CA 0.618 55.475 54.840 0.030 0.000 0.816 178 L CB -0.246 41.828 42.059 0.026 0.000 0.933 178 L HN 0.599 nan 8.230 nan 0.000 0.449 179 D N -0.572 119.858 120.400 0.051 0.000 2.379 179 D HA -0.014 2.183 4.640 -4.072 0.000 0.208 179 D C 0.652 176.988 176.300 0.061 0.000 1.065 179 D CA 0.051 54.084 54.000 0.056 0.000 0.848 179 D CB 0.114 40.952 40.800 0.063 0.000 0.949 179 D HN 0.494 nan 8.370 nan 0.000 0.509 180 E N 0.930 121.166 120.200 0.060 0.000 2.360 180 E HA 0.099 2.006 4.350 -4.072 0.000 0.269 180 E C 0.866 177.503 176.600 0.063 0.000 1.022 180 E CA -0.360 56.077 56.400 0.063 0.000 0.887 180 E CB 1.774 31.507 29.700 0.055 0.000 0.990 180 E HN -0.236 nan 8.360 nan 0.000 0.426 181 V N 3.552 123.510 119.914 0.073 0.000 2.515 181 V HA -0.087 1.590 4.120 -4.072 0.000 0.250 181 V C 1.108 177.251 176.094 0.082 0.000 1.058 181 V CA 1.901 64.253 62.300 0.086 0.000 1.064 181 V CB -1.422 30.468 31.823 0.111 0.000 0.675 181 V HN 0.736 nan 8.190 nan 0.000 0.461 182 L N -3.636 117.628 121.223 0.068 0.000 3.041 182 L HA 0.668 2.565 4.340 -4.072 0.000 0.278 182 L C -1.885 175.010 176.870 0.042 0.000 1.051 182 L CA -0.964 53.908 54.840 0.053 0.000 0.957 182 L CB 1.921 44.014 42.059 0.056 0.000 1.538 182 L HN -0.134 nan 8.230 nan 0.000 0.393 183 D N 1.167 121.587 120.400 0.033 0.000 2.460 183 D HA 0.497 2.694 4.640 -4.072 0.000 0.232 183 D C -2.150 174.176 176.300 0.044 0.000 1.079 183 D CA -1.880 52.140 54.000 0.033 0.000 0.864 183 D CB 1.634 42.450 40.800 0.026 0.000 1.048 183 D HN 0.458 nan 8.370 nan 0.000 0.523 184 P HA 0.146 nan 4.420 nan 0.000 0.258 184 P C 1.072 178.415 177.300 0.072 0.000 1.416 184 P CA -0.114 63.023 63.100 0.062 0.000 0.927 184 P CB 0.556 32.274 31.700 0.030 0.000 1.444 185 T N -0.858 113.734 114.554 0.064 0.000 2.624 185 T HA -0.240 1.666 4.350 -4.072 0.000 0.268 185 T C 1.234 175.965 174.700 0.052 0.000 1.041 185 T CA 1.799 63.921 62.100 0.036 0.000 1.159 185 T CB -1.002 67.885 68.868 0.031 0.000 0.863 185 T HN 0.227 nan 8.240 nan 0.000 0.434 186 W N 1.884 123.140 121.300 -0.073 0.000 2.280 186 W HA -0.321 1.895 4.660 -4.072 0.000 0.332 186 W C 2.618 179.072 176.519 -0.108 0.000 1.300 186 W CA 2.218 59.515 57.345 -0.079 0.000 1.274 186 W CB -0.804 28.617 29.460 -0.066 0.000 1.141 186 W HN 0.286 nan 8.180 nan 0.000 0.474 187 A N 0.105 123.039 122.820 0.189 0.000 1.892 187 A HA -0.241 1.636 4.320 -4.072 0.000 0.218 187 A C 2.002 179.411 177.584 -0.292 0.000 1.188 187 A CA 2.338 54.332 52.037 -0.072 0.000 0.631 187 A CB -1.151 17.859 19.000 0.017 0.000 0.822 187 A HN 0.469 nan 8.150 nan 0.000 0.447 188 I N -0.649 119.792 120.570 -0.216 0.000 2.091 188 I HA -0.316 1.411 4.170 -4.072 0.000 0.239 188 I C 2.566 178.508 176.117 -0.293 0.000 1.061 188 I CA 2.062 63.214 61.300 -0.246 0.000 1.317 188 I CB -0.563 37.346 38.000 -0.152 0.000 1.031 188 I HN 0.416 nan 8.210 nan 0.000 0.401 189 E N 0.280 120.312 120.200 -0.280 0.000 2.110 189 E HA -0.219 1.688 4.350 -4.072 0.000 0.193 189 E C 2.149 178.507 176.600 -0.403 0.000 0.988 189 E CA 0.891 57.114 56.400 -0.294 0.000 0.804 189 E CB 0.008 29.558 29.700 -0.251 0.000 0.745 189 E HN 0.357 nan 8.360 nan 0.000 0.458 190 E N 0.534 120.374 120.200 -0.599 0.000 2.077 190 E HA -0.177 1.730 4.350 -4.072 0.000 0.193 190 E C 2.122 178.429 176.600 -0.488 0.000 0.989 190 E CA 0.857 56.855 56.400 -0.669 0.000 0.800 190 E CB -0.169 28.899 29.700 -1.053 0.000 0.746 190 E HN 0.365 nan 8.360 nan 0.000 0.452 191 I N 0.356 120.670 120.570 -0.426 0.000 2.179 191 I HA -0.241 1.485 4.170 -4.072 0.000 0.242 191 I C 2.390 178.338 176.117 -0.281 0.000 1.088 191 I CA 0.701 61.791 61.300 -0.350 0.000 1.357 191 I CB -0.219 37.371 38.000 -0.683 0.000 1.051 191 I HN -0.059 nan 8.210 nan 0.000 0.409 192 V N 0.778 120.523 119.914 -0.282 0.000 2.295 192 V HA -0.286 1.391 4.120 -4.072 0.000 0.246 192 V C 2.613 178.606 176.094 -0.168 0.000 1.049 192 V CA 1.964 64.156 62.300 -0.181 0.000 1.024 192 V CB -0.825 30.903 31.823 -0.158 0.000 0.648 192 V HN 0.420 nan 8.190 nan 0.000 0.447 193 R N -0.089 120.274 120.500 -0.227 0.000 2.081 193 R HA -0.148 1.748 4.340 -4.072 0.000 0.235 193 R C 2.561 178.706 176.300 -0.259 0.000 1.131 193 R CA 1.512 57.483 56.100 -0.216 0.000 0.960 193 R CB -0.165 29.992 30.300 -0.238 0.000 0.856 193 R HN 0.389 nan 8.270 nan 0.000 0.436 194 R N -1.101 119.138 120.500 -0.436 0.000 2.090 194 R HA -0.120 1.777 4.340 -4.072 0.000 0.228 194 R C 1.108 177.129 176.300 -0.464 0.000 1.110 194 R CA 1.389 57.080 56.100 -0.683 0.000 0.973 194 R CB 0.051 29.495 30.300 -1.428 0.000 0.869 194 R HN 0.360 nan 8.270 nan 0.000 0.440 195 Y N -1.299 119.029 120.300 0.047 0.000 2.425 195 Y HA 0.272 2.379 4.550 -4.072 0.000 0.261 195 Y C 0.343 176.345 175.900 0.170 0.000 1.084 195 Y CA -1.009 57.208 58.100 0.195 0.000 1.248 195 Y CB 0.698 39.361 38.460 0.338 0.000 1.270 195 Y HN -0.206 nan 8.280 nan 0.000 0.524 196 I N 0.970 121.649 120.570 0.181 0.000 2.352 196 I HA 0.368 2.095 4.170 -4.072 0.000 0.290 196 I C 1.357 177.511 176.117 0.062 0.000 1.036 196 I CA 0.176 61.543 61.300 0.112 0.000 1.336 196 I CB 0.328 38.347 38.000 0.033 0.000 1.407 196 I HN 0.508 nan 8.210 nan 0.000 0.497 197 G N 5.677 114.505 108.800 0.046 0.000 2.176 197 G HA2 -0.204 1.313 3.960 -4.072 0.000 0.253 197 G HA3 -0.204 1.313 3.960 -4.072 0.000 0.253 197 G C 0.338 175.266 174.900 0.046 0.000 0.979 197 G CA -0.342 44.754 45.100 -0.007 0.000 0.641 197 G HN 0.471 nan 8.290 nan 0.000 0.530 198 K N 0.546 121.008 120.400 0.103 0.000 2.143 198 K HA 0.401 2.278 4.320 -4.072 0.000 0.272 198 K C -1.234 175.418 176.600 0.086 0.000 1.001 198 K CA -1.769 54.577 56.287 0.098 0.000 0.915 198 K CB 1.885 34.471 32.500 0.143 0.000 1.047 198 K HN -0.019 nan 8.250 nan 0.000 0.458 199 P HA -0.230 nan 4.420 nan 0.000 0.217 199 P C 0.338 177.641 177.300 0.005 0.000 1.148 199 P CA 1.486 64.601 63.100 0.025 0.000 0.834 199 P CB 0.235 31.936 31.700 0.001 0.000 0.783 200 D N -0.687 119.666 120.400 -0.078 0.000 2.117 200 D HA -0.130 2.067 4.640 -4.072 0.000 0.198 200 D C 1.121 177.221 176.300 -0.333 0.000 0.982 200 D CA 1.062 54.889 54.000 -0.287 0.000 0.828 200 D CB -0.659 39.805 40.800 -0.559 0.000 0.967 200 D HN 0.255 nan 8.370 nan 0.000 0.464 201 F N 0.551 120.546 119.950 0.075 0.000 2.668 201 F HA 0.447 2.531 4.527 -4.071 0.000 0.301 201 F C 1.941 177.780 175.800 0.066 0.000 1.106 201 F CA -0.856 57.154 58.000 0.018 0.000 1.289 201 F CB 0.083 39.078 39.000 -0.009 0.000 1.006 201 F HN -0.089 nan 8.300 nan 0.000 0.535 202 A N -1.110 121.853 122.820 0.238 0.000 2.066 202 A HA -0.088 1.789 4.320 -4.072 0.000 0.218 202 A C 0.725 178.539 177.584 0.384 0.000 1.157 202 A CA 1.216 53.429 52.037 0.293 0.000 0.670 202 A CB -0.204 18.914 19.000 0.196 0.000 0.804 202 A HN 0.182 nan 8.150 nan 0.000 0.453 203 D N 0.107 120.658 120.400 0.251 0.000 2.440 203 D HA 0.529 2.726 4.640 -4.072 0.000 0.252 203 D C -1.137 175.141 176.300 -0.037 0.000 1.180 203 D CA -0.106 54.020 54.000 0.210 0.000 0.894 203 D CB 0.438 41.413 40.800 0.292 0.000 1.111 203 D HN 0.165 nan 8.370 nan 0.000 0.544 204 L N 4.173 125.341 121.223 -0.091 0.000 2.354 204 L HA 0.413 2.310 4.340 -4.072 0.000 0.264 204 L C -1.500 175.142 176.870 -0.379 0.000 1.008 204 L CA -2.371 52.260 54.840 -0.349 0.000 0.819 204 L CB 2.413 44.378 42.059 -0.157 0.000 1.339 204 L HN 0.087 nan 8.230 nan 0.000 0.420 205 P HA -0.100 nan 4.420 nan 0.000 0.217 205 P C 0.139 177.391 177.300 -0.080 0.000 1.151 205 P CA 1.546 64.387 63.100 -0.432 0.000 0.849 205 P CB 0.298 31.631 31.700 -0.612 0.000 0.787 206 R N -2.803 117.753 120.500 0.092 0.000 3.174 206 R HA 0.251 2.148 4.340 -4.072 0.000 0.261 206 R C -0.475 175.958 176.300 0.222 0.000 1.071 206 R CA -0.896 55.309 56.100 0.175 0.000 0.936 206 R CB 0.922 31.345 30.300 0.205 0.000 1.436 206 R HN -0.171 nan 8.270 nan 0.000 0.424 207 K N 0.143 120.624 120.400 0.135 0.000 2.286 207 K HA 0.100 1.977 4.320 -4.072 0.000 0.256 207 K C -1.101 175.605 176.600 0.176 0.000 0.999 207 K CA 0.090 56.435 56.287 0.097 0.000 0.908 207 K CB 0.395 32.910 32.500 0.026 0.000 0.981 207 K HN 0.451 nan 8.250 nan 0.000 0.500 208 Y N -0.065 120.215 120.300 -0.033 0.000 2.362 208 Y HA 0.324 2.431 4.550 -4.071 0.000 0.326 208 Y C -1.617 174.248 175.900 -0.059 0.000 1.083 208 Y CA -0.785 57.257 58.100 -0.096 0.000 1.073 208 Y CB 1.934 40.366 38.460 -0.046 0.000 1.211 208 Y HN 0.582 nan 8.280 nan 0.000 0.433 209 K N 4.263 124.389 120.400 -0.456 0.000 2.345 209 K HA 0.627 2.504 4.320 -4.072 0.000 0.255 209 K C -1.157 175.256 176.600 -0.313 0.000 0.934 209 K CA -0.853 55.271 56.287 -0.271 0.000 0.801 209 K CB 2.100 34.478 32.500 -0.202 0.000 1.137 209 K HN 0.567 nan 8.250 nan 0.000 0.424 210 T N 1.254 115.752 114.554 -0.093 0.000 2.807 210 T HA 0.573 2.480 4.350 -4.072 0.000 0.279 210 T C -1.007 173.708 174.700 0.024 0.000 0.993 210 T CA -0.714 61.407 62.100 0.035 0.000 0.970 210 T CB 1.594 70.650 68.868 0.313 0.000 0.950 210 T HN 0.626 nan 8.240 nan 0.000 0.441 211 A N 3.545 126.392 122.820 0.045 0.000 2.330 211 A HA 0.861 2.738 4.320 -4.072 0.000 0.313 211 A C -0.774 176.871 177.584 0.102 0.000 1.124 211 A CA -0.709 51.349 52.037 0.035 0.000 0.774 211 A CB 0.483 19.481 19.000 -0.004 0.000 1.198 211 A HN 0.851 nan 8.150 nan 0.000 0.465 212 I N 1.677 122.290 120.570 0.071 0.000 2.478 212 I HA 0.576 2.303 4.170 -4.072 0.000 0.287 212 I C -0.129 176.013 176.117 0.041 0.000 1.042 212 I CA -0.260 61.093 61.300 0.089 0.000 1.067 212 I CB 2.130 40.149 38.000 0.032 0.000 1.233 212 I HN 0.577 nan 8.210 nan 0.000 0.431 213 S N 2.733 118.457 115.700 0.041 0.000 2.565 213 S HA 0.559 2.586 4.470 -4.072 0.000 0.269 213 S C 0.623 175.246 174.600 0.039 0.000 1.153 213 S CA -0.079 58.142 58.200 0.036 0.000 0.835 213 S CB 1.703 64.927 63.200 0.041 0.000 1.122 213 S HN 0.812 nan 8.310 nan 0.000 0.462 214 G N 1.349 110.178 108.800 0.049 0.000 2.572 214 G HA2 0.234 1.750 3.960 -4.072 0.000 0.216 214 G HA3 0.234 1.750 3.960 -4.072 0.000 0.216 214 G C 0.132 175.070 174.900 0.063 0.000 1.133 214 G CA 0.509 45.643 45.100 0.057 0.000 0.791 214 G HN 0.532 nan 8.290 nan 0.000 0.538 215 L N -0.933 120.331 121.223 0.069 0.000 2.333 215 L HA 0.360 2.257 4.340 -4.072 0.000 0.263 215 L C -0.208 176.704 176.870 0.070 0.000 1.014 215 L CA -0.863 54.026 54.840 0.082 0.000 0.820 215 L CB 2.379 44.515 42.059 0.128 0.000 1.352 215 L HN -0.077 nan 8.230 nan 0.000 0.421 216 Q N 1.548 121.394 119.800 0.077 0.000 3.247 216 Q HA 0.055 1.952 4.340 -4.072 0.000 0.326 216 Q C -0.796 175.270 176.000 0.109 0.000 1.402 216 Q CA -0.114 55.758 55.803 0.114 0.000 0.994 216 Q CB -0.185 28.632 28.738 0.132 0.000 1.647 216 Q HN 0.435 nan 8.270 nan 0.000 0.523 217 D N -0.779 119.691 120.400 0.117 0.000 2.696 217 D HA 0.011 2.208 4.640 -4.072 0.000 0.269 217 D C 0.471 176.858 176.300 0.145 0.000 1.319 217 D CA -0.300 53.781 54.000 0.135 0.000 0.826 217 D CB 0.155 41.031 40.800 0.126 0.000 1.086 217 D HN 0.174 nan 8.370 nan 0.000 0.481 218 V N -3.792 116.173 119.914 0.086 0.000 3.017 218 V HA 0.718 2.395 4.120 -4.072 0.000 0.354 218 V C 0.928 176.976 176.094 -0.077 0.000 1.389 218 V CA -0.337 61.962 62.300 -0.003 0.000 1.163 218 V CB -0.177 31.654 31.823 0.014 0.000 1.178 218 V HN 0.271 nan 8.190 nan 0.000 0.547 219 A N 1.681 124.449 122.820 -0.087 0.000 2.462 219 A HA -0.284 1.593 4.320 -4.072 0.000 0.294 219 A C 1.344 178.802 177.584 -0.210 0.000 1.461 219 A CA 1.939 53.882 52.037 -0.156 0.000 0.765 219 A CB -2.468 16.397 19.000 -0.225 0.000 1.071 219 A HN 1.685 nan 8.150 nan 0.000 0.401 220 H N -1.688 117.256 119.070 -0.210 0.000 2.387 220 H HA 0.007 2.121 4.556 -4.070 0.000 0.299 220 H C 1.294 176.448 175.328 -0.289 0.000 1.090 220 H CA 1.538 57.413 56.048 -0.288 0.000 1.332 220 H CB -0.338 29.169 29.762 -0.426 0.000 1.386 220 H HN 0.612 nan 8.280 nan 0.000 0.516 221 E N 0.770 120.590 120.200 -0.633 0.000 2.455 221 E HA -0.060 1.846 4.350 -4.072 0.000 0.202 221 E C 1.054 177.593 176.600 -0.102 0.000 1.045 221 E CA 1.364 57.587 56.400 -0.295 0.000 0.872 221 E CB -0.175 29.340 29.700 -0.309 0.000 0.792 221 E HN 0.939 nan 8.360 nan 0.000 0.542 222 I N -3.160 117.333 120.570 -0.129 0.000 3.856 222 I HA 0.274 2.001 4.170 -4.072 0.000 0.330 222 I C -0.040 176.001 176.117 -0.127 0.000 1.546 222 I CA -0.498 60.746 61.300 -0.093 0.000 1.132 222 I CB 0.296 38.252 38.000 -0.072 0.000 1.157 222 I HN -0.189 nan 8.210 nan 0.000 0.440 223 N N 1.631 120.251 118.700 -0.133 0.000 2.472 223 N HA 0.169 2.466 4.740 -4.072 0.000 0.289 223 N C -0.048 175.320 175.510 -0.236 0.000 1.156 223 N CA -0.556 52.390 53.050 -0.175 0.000 0.940 223 N CB 1.569 39.969 38.487 -0.145 0.000 1.200 223 N HN 0.139 nan 8.380 nan 0.000 0.511 224 D N 0.175 120.360 120.400 -0.359 0.000 2.097 224 D HA -0.079 2.118 4.640 -4.072 0.000 0.195 224 D C 0.340 176.363 176.300 -0.462 0.000 0.989 224 D CA 1.494 55.192 54.000 -0.504 0.000 0.827 224 D CB 0.424 40.744 40.800 -0.801 0.000 0.966 224 D HN 0.105 nan 8.370 nan 0.000 0.456 225 V N -0.652 119.010 119.914 -0.420 0.000 2.760 225 V HA 0.651 2.328 4.120 -4.072 0.000 0.309 225 V C -1.712 174.325 176.094 -0.094 0.000 1.077 225 V CA -0.589 61.569 62.300 -0.238 0.000 0.910 225 V CB 1.903 33.618 31.823 -0.180 0.000 1.008 225 V HN 0.111 nan 8.190 nan 0.000 0.424 226 A N 5.726 128.481 122.820 -0.109 0.000 2.422 226 A HA 0.910 2.787 4.320 -4.072 0.000 0.302 226 A C -1.618 175.851 177.584 -0.191 0.000 1.041 226 A CA -0.392 51.606 52.037 -0.065 0.000 0.708 226 A CB 1.430 20.367 19.000 -0.104 0.000 1.257 226 A HN 0.772 nan 8.150 nan 0.000 0.414 227 F N 1.688 121.636 119.950 -0.005 0.000 2.460 227 F HA 0.654 2.738 4.527 -4.072 0.000 0.341 227 F C -0.433 175.317 175.800 -0.082 0.000 1.130 227 F CA -0.361 57.643 58.000 0.006 0.000 0.962 227 F CB 1.993 41.014 39.000 0.034 0.000 1.171 227 F HN 0.319 nan 8.300 nan 0.000 0.436 228 I N 2.366 122.959 120.570 0.039 0.000 2.499 228 I HA 0.423 2.150 4.170 -4.072 0.000 0.288 228 I C 0.364 176.505 176.117 0.039 0.000 1.048 228 I CA -0.546 60.701 61.300 -0.089 0.000 1.062 228 I CB 1.860 39.583 38.000 -0.461 0.000 1.238 228 I HN 0.628 nan 8.210 nan 0.000 0.426 229 G N 4.885 113.716 108.800 0.052 0.000 2.224 229 G HA2 0.353 1.870 3.960 -4.072 0.000 0.239 229 G HA3 0.353 1.870 3.960 -4.072 0.000 0.239 229 G C -0.634 174.356 174.900 0.149 0.000 1.240 229 G CA 0.191 45.353 45.100 0.104 0.000 0.896 229 G HN 0.547 nan 8.290 nan 0.000 0.496 230 V N 3.753 123.808 119.914 0.235 0.000 2.932 230 V HA 0.367 2.044 4.120 -4.072 0.000 0.307 230 V C -0.638 175.660 176.094 0.339 0.000 1.147 230 V CA -1.370 61.089 62.300 0.264 0.000 0.951 230 V CB 2.139 34.136 31.823 0.290 0.000 1.031 230 V HN 0.795 nan 8.190 nan 0.000 0.426 231 N N 3.101 121.933 118.700 0.221 0.000 2.475 231 N HA 0.177 2.474 4.740 -4.072 0.000 0.267 231 N C -0.723 174.857 175.510 0.118 0.000 1.169 231 N CA 0.192 53.353 53.050 0.185 0.000 0.947 231 N CB 0.606 39.147 38.487 0.090 0.000 1.061 231 N HN 0.842 nan 8.380 nan 0.000 0.466 232 H N 3.370 122.393 119.070 -0.079 0.000 2.527 232 H HA 0.213 2.326 4.556 -4.072 0.000 0.321 232 H C -1.455 173.707 175.328 -0.277 0.000 1.087 232 H CA -1.458 54.354 56.048 -0.393 0.000 1.337 232 H CB 1.305 30.351 29.762 -1.194 0.000 1.440 232 H HN 0.396 nan 8.280 nan 0.000 0.490 233 P HA -0.172 nan 4.420 nan 0.000 0.216 233 P C 0.932 178.127 177.300 -0.176 0.000 1.150 233 P CA 1.316 64.264 63.100 -0.254 0.000 0.837 233 P CB 0.360 31.886 31.700 -0.290 0.000 0.786 234 E N -1.773 118.351 120.200 -0.126 0.000 2.127 234 E HA -0.106 1.800 4.350 -4.072 0.000 0.191 234 E C 1.534 177.885 176.600 -0.415 0.000 0.964 234 E CA 0.500 56.735 56.400 -0.275 0.000 0.832 234 E CB -0.037 29.367 29.700 -0.492 0.000 0.790 234 E HN 0.297 nan 8.360 nan 0.000 0.465 235 H N -0.385 118.585 119.070 -0.166 0.000 2.575 235 H HA 0.293 2.406 4.556 -4.072 0.000 0.267 235 H C 0.941 176.118 175.328 -0.252 0.000 0.966 235 H CA 0.787 56.549 56.048 -0.477 0.000 1.165 235 H CB 1.182 30.287 29.762 -1.094 0.000 1.433 235 H HN 0.306 nan 8.280 nan 0.000 0.544 236 G N 1.369 110.135 108.800 -0.056 0.000 2.655 236 G HA2 -0.181 1.336 3.960 -4.072 0.000 0.680 236 G HA3 -0.181 1.336 3.960 -4.072 0.000 0.680 236 G C -2.775 172.335 174.900 0.348 0.000 1.302 236 G CA -1.260 43.919 45.100 0.132 0.000 0.872 236 G HN -0.049 nan 8.290 nan 0.000 0.540 237 P HA 0.362 nan 4.420 nan 0.000 0.257 237 P C 0.743 178.340 177.300 0.495 0.000 1.162 237 P CA 1.724 65.035 63.100 0.352 0.000 0.762 237 P CB 0.552 32.370 31.700 0.195 0.000 0.753 238 G N 2.352 111.492 108.800 0.567 0.000 2.846 238 G HA2 0.626 2.143 3.960 -4.072 0.000 0.299 238 G HA3 0.626 2.143 3.960 -4.072 0.000 0.299 238 G C -1.874 172.987 174.900 -0.064 0.000 1.242 238 G CA -0.702 44.401 45.100 0.003 0.000 0.800 238 G HN 0.328 nan 8.290 nan 0.000 0.538 239 L N 0.640 121.658 121.223 -0.342 0.000 2.346 239 L HA 0.484 2.381 4.340 -4.072 0.000 0.276 239 L C -0.854 176.023 176.870 0.012 0.000 1.006 239 L CA -0.669 54.152 54.840 -0.031 0.000 0.817 239 L CB 2.060 44.209 42.059 0.150 0.000 1.272 239 L HN 0.483 nan 8.230 nan 0.000 0.421 240 D N 1.873 122.379 120.400 0.176 0.000 2.256 240 D HA 0.405 2.602 4.640 -4.072 0.000 0.250 240 D C -1.046 175.376 176.300 0.203 0.000 1.093 240 D CA -0.224 53.920 54.000 0.240 0.000 0.882 240 D CB 1.433 42.443 40.800 0.349 0.000 1.185 240 D HN 0.321 nan 8.370 nan 0.000 0.437 241 L N 4.637 125.911 121.223 0.084 0.000 2.282 241 L HA 0.629 2.526 4.340 -4.072 0.000 0.288 241 L C -1.758 175.109 176.870 -0.004 0.000 1.033 241 L CA -0.355 54.407 54.840 -0.129 0.000 0.807 241 L CB 0.634 42.572 42.059 -0.203 0.000 1.209 241 L HN 0.371 nan 8.230 nan 0.000 0.423 242 W N 4.421 125.535 121.300 -0.310 0.000 2.915 242 W HA 0.773 2.989 4.660 -4.073 0.000 0.337 242 W C -1.200 175.167 176.519 -0.254 0.000 1.102 242 W CA -0.698 56.526 57.345 -0.201 0.000 1.224 242 W CB 2.169 31.560 29.460 -0.114 0.000 1.416 242 W HN 0.280 nan 8.180 nan 0.000 0.503 243 V N 1.448 121.333 119.914 -0.048 0.000 2.932 243 V HA 0.745 2.422 4.120 -4.072 0.000 0.307 243 V C 0.267 176.188 176.094 -0.289 0.000 1.147 243 V CA -0.524 61.624 62.300 -0.252 0.000 0.951 243 V CB 1.828 33.379 31.823 -0.453 0.000 1.031 243 V HN 0.898 nan 8.190 nan 0.000 0.426 244 G N 2.793 111.389 108.800 -0.340 0.000 2.203 244 G HA2 0.010 1.526 3.960 -4.072 0.000 0.231 244 G HA3 0.010 1.526 3.960 -4.072 0.000 0.231 244 G C 0.237 174.991 174.900 -0.245 0.000 1.058 244 G CA 0.031 44.930 45.100 -0.335 0.000 0.781 244 G HN 1.447 nan 8.290 nan 0.000 0.496 245 G N -1.179 107.491 108.800 -0.216 0.000 2.491 245 G HA2 1.077 2.593 3.960 -4.072 0.000 0.327 245 G HA3 1.077 2.594 3.960 -4.072 0.000 0.327 245 G C 0.311 175.091 174.900 -0.200 0.000 1.189 245 G CA -0.114 44.891 45.100 -0.157 0.000 0.956 245 G HN 1.784 nan 8.290 nan 0.000 0.491 246 G N -1.599 107.108 108.800 -0.155 0.000 2.358 246 G HA2 0.367 1.884 3.960 -4.072 0.000 0.301 246 G HA3 0.367 1.884 3.960 -4.072 0.000 0.301 246 G C -0.421 174.382 174.900 -0.162 0.000 1.539 246 G CA -0.687 44.308 45.100 -0.175 0.000 0.893 246 G HN 0.795 nan 8.290 nan 0.000 0.636 247 L N 0.533 121.659 121.223 -0.162 0.000 3.360 247 L HA 0.208 2.105 4.340 -4.072 0.000 0.303 247 L C 2.308 179.072 176.870 -0.176 0.000 1.218 247 L CA 0.559 55.280 54.840 -0.197 0.000 1.059 247 L CB 0.721 42.685 42.059 -0.158 0.000 1.468 247 L HN 0.642 nan 8.230 nan 0.000 0.614 248 S N 1.161 116.793 115.700 -0.113 0.000 2.563 248 S HA -0.214 1.813 4.470 -4.072 0.000 0.225 248 S C 1.652 176.215 174.600 -0.061 0.000 1.146 248 S CA 2.788 60.953 58.200 -0.059 0.000 1.500 248 S CB -0.045 63.155 63.200 0.000 0.000 1.099 248 S HN 0.535 nan 8.310 nan 0.000 0.393 249 T N -2.007 112.538 114.554 -0.014 0.000 3.040 249 T HA 0.373 2.279 4.350 -4.072 0.000 0.266 249 T C 0.093 174.792 174.700 -0.001 0.000 1.005 249 T CA -0.282 61.821 62.100 0.004 0.000 0.906 249 T CB 0.002 68.901 68.868 0.051 0.000 1.082 249 T HN 0.305 nan 8.240 nan 0.000 0.531 250 N N 2.652 121.336 118.700 -0.025 0.000 2.722 250 N HA 0.320 2.617 4.740 -4.072 0.000 0.242 250 N C -3.360 172.054 175.510 -0.160 0.000 1.398 250 N CA -1.404 51.629 53.050 -0.027 0.000 0.755 250 N CB 1.829 40.402 38.487 0.143 0.000 1.268 250 N HN 0.142 nan 8.380 nan 0.000 0.522 251 P HA 0.315 nan 4.420 nan 0.000 0.280 251 P C -0.679 176.519 177.300 -0.171 0.000 1.244 251 P CA -0.173 62.670 63.100 -0.428 0.000 0.784 251 P CB 1.046 32.132 31.700 -1.023 0.000 0.913 252 M N 2.852 122.435 119.600 -0.029 0.000 2.326 252 M HA 0.354 2.391 4.480 -4.072 0.000 0.292 252 M C -0.244 176.134 176.300 0.130 0.000 1.081 252 M CA -0.721 54.632 55.300 0.089 0.000 0.919 252 M CB 2.293 34.830 32.600 -0.104 0.000 1.634 252 M HN 0.114 nan 8.290 nan 0.000 0.451 253 L N 2.564 123.877 121.223 0.149 0.000 2.380 253 L HA 0.488 2.385 4.340 -4.072 0.000 0.273 253 L C 0.738 177.624 176.870 0.026 0.000 1.138 253 L CA -0.522 54.355 54.840 0.061 0.000 0.832 253 L CB 0.918 42.955 42.059 -0.037 0.000 1.124 253 L HN 0.839 nan 8.230 nan 0.000 0.454 254 A N 4.140 126.992 122.820 0.053 0.000 2.466 254 A HA 0.281 2.158 4.320 -4.072 0.000 0.238 254 A C -0.155 177.514 177.584 0.141 0.000 1.074 254 A CA 0.078 52.159 52.037 0.073 0.000 0.774 254 A CB 0.281 19.358 19.000 0.128 0.000 1.015 254 A HN 0.794 nan 8.150 nan 0.000 0.498 255 Q N 0.094 119.882 119.800 -0.021 0.000 2.399 255 Q HA 0.411 2.308 4.340 -4.072 0.000 0.276 255 Q C -0.751 175.002 176.000 -0.411 0.000 1.098 255 Q CA -0.915 54.769 55.803 -0.198 0.000 0.827 255 Q CB 1.994 30.629 28.738 -0.171 0.000 1.386 255 Q HN 0.738 nan 8.270 nan 0.000 0.443 256 R N 0.671 120.762 120.500 -0.682 0.000 2.401 256 R HA 0.053 1.950 4.340 -4.072 0.000 0.299 256 R C 0.565 176.664 176.300 -0.335 0.000 1.064 256 R CA -0.047 55.611 56.100 -0.736 0.000 1.000 256 R CB 0.537 30.397 30.300 -0.734 0.000 0.973 256 R HN 0.434 nan 8.270 nan 0.000 0.438 257 V N 2.157 121.931 119.914 -0.233 0.000 3.217 257 V HA -0.037 1.640 4.120 -4.072 0.000 0.264 257 V C 1.518 177.587 176.094 -0.041 0.000 1.135 257 V CA 1.623 63.886 62.300 -0.062 0.000 1.142 257 V CB -0.321 31.521 31.823 0.031 0.000 0.754 257 V HN 1.214 nan 8.190 nan 0.000 0.484 258 G N 0.036 108.780 108.800 -0.092 0.000 2.147 258 G HA2 -0.125 1.392 3.960 -4.072 0.000 0.244 258 G HA3 -0.125 1.392 3.960 -4.072 0.000 0.244 258 G C 0.131 175.068 174.900 0.061 0.000 1.005 258 G CA 0.372 45.455 45.100 -0.028 0.000 0.713 258 G HN 1.059 nan 8.290 nan 0.000 0.515 259 A N -1.050 121.820 122.820 0.083 0.000 2.322 259 A HA 0.830 2.707 4.320 -4.072 0.000 0.327 259 A C -0.695 177.053 177.584 0.272 0.000 1.134 259 A CA -0.322 51.817 52.037 0.170 0.000 0.831 259 A CB 1.346 20.425 19.000 0.132 0.000 1.288 259 A HN 1.441 nan 8.150 nan 0.000 0.472 260 W N 1.469 122.847 121.300 0.129 0.000 2.715 260 W HA 0.591 2.807 4.660 -4.073 0.000 0.331 260 W C -1.941 174.657 176.519 0.133 0.000 1.031 260 W CA -0.454 56.989 57.345 0.165 0.000 1.237 260 W CB 1.622 31.227 29.460 0.243 0.000 1.378 260 W HN 0.499 nan 8.180 nan 0.000 0.454 261 V N 8.695 128.322 119.914 -0.479 0.000 2.495 261 V HA 0.509 2.186 4.120 -4.072 0.000 0.298 261 V C -1.779 173.723 176.094 -0.988 0.000 1.031 261 V CA -2.076 59.933 62.300 -0.484 0.000 0.871 261 V CB 1.698 33.530 31.823 0.014 0.000 0.988 261 V HN 0.424 nan 8.190 nan 0.000 0.432 262 P HA 0.169 nan 4.420 nan 0.000 0.277 262 P C 0.794 177.914 177.300 -0.300 0.000 1.240 262 P CA -0.395 62.308 63.100 -0.661 0.000 0.798 262 P CB 1.412 32.922 31.700 -0.317 0.000 0.979 263 L N 3.645 124.741 121.223 -0.211 0.000 2.010 263 L HA -0.202 1.695 4.340 -4.072 0.000 0.219 263 L C 2.461 179.285 176.870 -0.078 0.000 1.077 263 L CA 2.982 57.742 54.840 -0.133 0.000 0.773 263 L CB -1.908 40.058 42.059 -0.153 0.000 0.892 263 L HN 0.618 nan 8.230 nan 0.000 0.436 264 G N -1.971 106.726 108.800 -0.171 0.000 2.443 264 G HA2 -0.198 1.319 3.960 -4.072 0.000 0.219 264 G HA3 -0.198 1.319 3.960 -4.072 0.000 0.219 264 G C 1.397 176.366 174.900 0.113 0.000 1.131 264 G CA 0.661 45.700 45.100 -0.102 0.000 0.775 264 G HN 0.577 nan 8.290 nan 0.000 0.547 265 E N -0.177 120.041 120.200 0.030 0.000 2.474 265 E HA 0.101 2.008 4.350 -4.072 0.000 0.194 265 E C 2.415 179.049 176.600 0.057 0.000 1.041 265 E CA -0.289 56.146 56.400 0.058 0.000 0.874 265 E CB 0.369 30.083 29.700 0.022 0.000 0.914 265 E HN 0.271 nan 8.360 nan 0.000 0.498 266 V N 1.852 121.753 119.914 -0.021 0.000 2.255 266 V HA -0.214 1.463 4.120 -4.072 0.000 0.247 266 V C -0.817 175.192 176.094 -0.142 0.000 1.051 266 V CA 2.094 64.250 62.300 -0.239 0.000 1.018 266 V CB -1.190 30.378 31.823 -0.426 0.000 0.641 266 V HN 0.216 nan 8.190 nan 0.000 0.445 267 P HA -0.153 nan 4.420 nan 0.000 0.218 267 P C 1.624 179.121 177.300 0.328 0.000 1.149 267 P CA 1.360 64.536 63.100 0.127 0.000 0.817 267 P CB 0.030 31.758 31.700 0.046 0.000 0.785 268 E N -0.072 120.284 120.200 0.259 0.000 2.077 268 E HA -0.129 1.778 4.350 -4.072 0.000 0.193 268 E C 1.640 178.392 176.600 0.253 0.000 0.989 268 E CA 1.274 57.833 56.400 0.264 0.000 0.800 268 E CB -0.228 29.593 29.700 0.200 0.000 0.746 268 E HN -0.003 nan 8.360 nan 0.000 0.452 269 V N 0.069 120.133 119.914 0.251 0.000 2.591 269 V HA -0.164 1.513 4.120 -4.072 0.000 0.249 269 V C 1.836 178.168 176.094 0.398 0.000 1.053 269 V CA 1.501 63.985 62.300 0.306 0.000 1.068 269 V CB -0.634 31.408 31.823 0.366 0.000 0.689 269 V HN 0.472 nan 8.190 nan 0.000 0.462 270 W N 1.390 122.823 121.300 0.221 0.000 2.358 270 W HA -0.178 2.039 4.660 -4.073 0.000 0.303 270 W C 2.396 178.898 176.519 -0.028 0.000 1.208 270 W CA 1.976 59.438 57.345 0.194 0.000 1.274 270 W CB -0.172 29.314 29.460 0.044 0.000 1.138 270 W HN 0.177 nan 8.180 nan 0.000 0.515 271 A N 0.483 123.413 122.820 0.183 0.000 1.969 271 A HA -0.012 1.865 4.320 -4.072 0.000 0.218 271 A C 2.048 179.597 177.584 -0.059 0.000 1.169 271 A CA 2.130 54.103 52.037 -0.106 0.000 0.635 271 A CB -1.410 17.633 19.000 0.071 0.000 0.810 271 A HN 0.382 nan 8.150 nan 0.000 0.445 272 A N -0.374 122.471 122.820 0.041 0.000 1.858 272 A HA -0.020 1.857 4.320 -4.072 0.000 0.216 272 A C 2.241 179.729 177.584 -0.161 0.000 1.190 272 A CA 1.898 53.949 52.037 0.024 0.000 0.617 272 A CB -1.007 18.058 19.000 0.108 0.000 0.827 272 A HN 0.380 nan 8.150 nan 0.000 0.443 273 V N -0.065 119.780 119.914 -0.116 0.000 2.261 273 V HA -0.242 1.435 4.120 -4.072 0.000 0.246 273 V C 2.762 178.724 176.094 -0.220 0.000 1.047 273 V CA 2.512 64.778 62.300 -0.056 0.000 1.015 273 V CB -1.536 30.330 31.823 0.072 0.000 0.642 273 V HN 0.628 nan 8.190 nan 0.000 0.446 274 T N -0.119 114.082 114.554 -0.587 0.000 2.665 274 T HA -0.255 1.652 4.350 -4.072 0.000 0.268 274 T C 2.108 176.552 174.700 -0.428 0.000 1.035 274 T CA 1.993 63.521 62.100 -0.953 0.000 1.151 274 T CB -0.460 67.217 68.868 -1.986 0.000 0.862 274 T HN 0.457 nan 8.240 nan 0.000 0.438 275 S N 0.686 116.273 115.700 -0.189 0.000 2.374 275 S HA -0.126 1.901 4.470 -4.072 0.000 0.227 275 S C 2.293 176.688 174.600 -0.342 0.000 1.037 275 S CA 1.096 59.262 58.200 -0.057 0.000 1.024 275 S CB -0.595 62.603 63.200 -0.003 0.000 0.861 275 S HN 0.326 nan 8.310 nan 0.000 0.456 276 V N 1.004 120.603 119.914 -0.525 0.000 2.427 276 V HA -0.132 1.545 4.120 -4.072 0.000 0.248 276 V C 1.876 177.993 176.094 0.039 0.000 1.051 276 V CA 1.592 63.736 62.300 -0.261 0.000 1.048 276 V CB -0.719 31.008 31.823 -0.160 0.000 0.666 276 V HN 0.476 nan 8.190 nan 0.000 0.456 277 F N 1.306 121.144 119.950 -0.186 0.000 2.102 277 F HA -0.125 1.960 4.527 -4.071 0.000 0.298 277 F C 2.569 178.226 175.800 -0.238 0.000 1.105 277 F CA 1.914 59.790 58.000 -0.208 0.000 1.239 277 F CB -0.564 38.281 39.000 -0.259 0.000 0.991 277 F HN -0.049 nan 8.300 nan 0.000 0.474 278 R N 0.132 120.418 120.500 -0.357 0.000 2.096 278 R HA -0.198 1.699 4.340 -4.072 0.000 0.240 278 R C 1.817 177.833 176.300 -0.472 0.000 1.139 278 R CA 2.301 58.111 56.100 -0.483 0.000 0.952 278 R CB -0.450 29.757 30.300 -0.156 0.000 0.854 278 R HN 0.302 nan 8.270 nan 0.000 0.436 279 D N -1.450 118.853 120.400 -0.161 0.000 2.201 279 D HA -0.090 2.107 4.640 -4.072 0.000 0.209 279 D C 1.330 177.523 176.300 -0.179 0.000 0.961 279 D CA 1.226 55.183 54.000 -0.072 0.000 0.861 279 D CB -0.155 40.657 40.800 0.021 0.000 0.997 279 D HN 0.315 nan 8.370 nan 0.000 0.486 280 Y N 0.886 121.179 120.300 -0.012 0.000 2.458 280 Y HA 0.335 2.442 4.550 -4.072 0.000 0.254 280 Y C 1.615 177.374 175.900 -0.235 0.000 1.120 280 Y CA -0.283 57.817 58.100 -0.001 0.000 1.282 280 Y CB 0.195 38.710 38.460 0.092 0.000 1.109 280 Y HN -0.175 nan 8.280 nan 0.000 0.526 281 G N -0.091 108.581 108.800 -0.213 0.000 2.414 281 G HA2 0.014 1.531 3.960 -4.072 0.000 0.236 281 G HA3 0.014 1.531 3.960 -4.072 0.000 0.236 281 G C -0.925 173.836 174.900 -0.232 0.000 1.293 281 G CA -0.314 44.580 45.100 -0.343 0.000 0.869 281 G HN 0.069 nan 8.290 nan 0.000 0.556 282 Y N 0.318 120.594 120.300 -0.041 0.000 2.425 282 Y HA 0.265 2.372 4.550 -4.072 0.000 0.331 282 Y C 1.562 177.414 175.900 -0.080 0.000 1.157 282 Y CA -0.458 57.620 58.100 -0.036 0.000 1.372 282 Y CB 0.959 39.410 38.460 -0.015 0.000 1.253 282 Y HN 0.512 nan 8.280 nan 0.000 0.536 283 R N 1.659 122.219 120.500 0.100 0.000 2.616 283 R HA 0.221 2.118 4.340 -4.072 0.000 0.427 283 R C 1.490 177.816 176.300 0.043 0.000 1.030 283 R CA -0.174 55.942 56.100 0.027 0.000 1.133 283 R CB 0.668 30.951 30.300 -0.029 0.000 1.444 283 R HN 0.591 nan 8.270 nan 0.000 0.578 284 R N 0.417 120.934 120.500 0.030 0.000 2.051 284 R HA 0.241 2.138 4.340 -4.072 0.000 0.218 284 R C 0.121 176.412 176.300 -0.015 0.000 1.188 284 R CA 0.515 56.613 56.100 -0.003 0.000 0.992 284 R CB 0.337 30.611 30.300 -0.043 0.000 0.883 284 R HN 0.030 nan 8.270 nan 0.000 0.444 285 L N 1.737 122.934 121.223 -0.043 0.000 2.292 285 L HA 0.238 2.135 4.340 -4.072 0.000 0.284 285 L C 1.086 177.936 176.870 -0.032 0.000 1.065 285 L CA -0.445 54.364 54.840 -0.053 0.000 0.806 285 L CB 1.598 43.594 42.059 -0.104 0.000 1.175 285 L HN 0.168 nan 8.230 nan 0.000 0.431 286 R N 2.759 123.253 120.500 -0.010 0.000 2.115 286 R HA -0.034 1.862 4.340 -4.072 0.000 0.230 286 R C 1.642 177.952 176.300 0.015 0.000 1.111 286 R CA 1.614 57.725 56.100 0.020 0.000 0.976 286 R CB -0.233 30.086 30.300 0.032 0.000 0.870 286 R HN 0.774 nan 8.270 nan 0.000 0.445 287 A N -0.715 122.089 122.820 -0.027 0.000 2.238 287 A HA 0.068 1.945 4.320 -4.072 0.000 0.208 287 A C 1.305 178.776 177.584 -0.190 0.000 1.177 287 A CA 0.495 52.511 52.037 -0.035 0.000 0.804 287 A CB -0.092 18.889 19.000 -0.031 0.000 0.823 287 A HN 0.189 nan 8.150 nan 0.000 0.482 288 K N -0.717 119.510 120.400 -0.288 0.000 2.706 288 K HA 0.473 2.349 4.320 -4.072 0.000 0.203 288 K C 0.760 177.243 176.600 -0.195 0.000 1.102 288 K CA 0.544 56.401 56.287 -0.717 0.000 1.058 288 K CB 0.270 32.425 32.500 -0.576 0.000 0.779 288 K HN 0.246 nan 8.250 nan 0.000 0.483 289 A N 0.555 123.423 122.820 0.080 0.000 2.169 289 A HA 0.185 2.062 4.320 -4.072 0.000 0.210 289 A C 0.611 178.435 177.584 0.401 0.000 1.168 289 A CA -0.005 52.165 52.037 0.222 0.000 0.813 289 A CB 0.175 19.259 19.000 0.141 0.000 0.861 289 A HN 0.100 nan 8.150 nan 0.000 0.481 290 R N -0.014 120.774 120.500 0.480 0.000 2.590 290 R HA 0.079 1.976 4.340 -4.072 0.000 0.274 290 R C 1.027 177.403 176.300 0.127 0.000 1.061 290 R CA -0.402 55.864 56.100 0.278 0.000 1.081 290 R CB 0.123 30.501 30.300 0.131 0.000 0.984 290 R HN 0.316 nan 8.270 nan 0.000 0.448 291 L N 4.592 125.614 121.223 -0.335 0.000 2.089 291 L HA -0.295 1.602 4.340 -4.072 0.000 0.213 291 L C 2.130 178.813 176.870 -0.312 0.000 1.079 291 L CA 2.089 56.657 54.840 -0.454 0.000 0.758 291 L CB -0.458 41.089 42.059 -0.852 0.000 0.891 291 L HN 0.697 nan 8.230 nan 0.000 0.433 292 K N -1.756 118.429 120.400 -0.358 0.000 2.113 292 K HA -0.252 1.625 4.320 -4.072 0.000 0.208 292 K C 1.938 178.343 176.600 -0.325 0.000 1.047 292 K CA 2.199 58.247 56.287 -0.398 0.000 0.928 292 K CB -0.984 31.214 32.500 -0.504 0.000 0.716 292 K HN 0.291 nan 8.250 nan 0.000 0.446 293 F N 1.170 121.073 119.950 -0.079 0.000 2.186 293 F HA -0.053 2.031 4.527 -4.071 0.000 0.299 293 F C 2.249 178.042 175.800 -0.011 0.000 1.090 293 F CA 0.626 58.641 58.000 0.025 0.000 1.307 293 F CB -0.580 38.515 39.000 0.159 0.000 1.019 293 F HN -0.031 nan 8.300 nan 0.000 0.489 294 L N 0.132 121.288 121.223 -0.112 0.000 2.017 294 L HA -0.200 1.697 4.340 -4.072 0.000 0.208 294 L C 2.221 178.907 176.870 -0.306 0.000 1.073 294 L CA 1.648 56.202 54.840 -0.478 0.000 0.745 294 L CB -0.747 40.829 42.059 -0.805 0.000 0.894 294 L HN -0.001 nan 8.230 nan 0.000 0.432 295 I N -0.067 120.347 120.570 -0.260 0.000 2.208 295 I HA -0.327 1.400 4.170 -4.072 0.000 0.245 295 I C 2.510 178.611 176.117 -0.027 0.000 1.097 295 I CA 1.481 62.679 61.300 -0.170 0.000 1.363 295 I CB -1.324 36.502 38.000 -0.290 0.000 1.051 295 I HN 0.450 nan 8.210 nan 0.000 0.413 296 K N 0.754 121.143 120.400 -0.018 0.000 2.032 296 K HA -0.233 1.644 4.320 -4.072 0.000 0.209 296 K C 1.715 178.393 176.600 0.130 0.000 1.048 296 K CA 1.967 58.285 56.287 0.052 0.000 0.927 296 K CB 0.032 32.575 32.500 0.073 0.000 0.712 296 K HN 0.222 nan 8.250 nan 0.000 0.441 297 D N -0.425 120.088 120.400 0.188 0.000 2.084 297 D HA -0.146 2.051 4.640 -4.072 0.000 0.196 297 D C 1.725 178.245 176.300 0.367 0.000 0.985 297 D CA 0.940 55.106 54.000 0.277 0.000 0.826 297 D CB -0.343 40.681 40.800 0.373 0.000 0.978 297 D HN 0.327 nan 8.370 nan 0.000 0.456 298 W N 1.107 122.466 121.300 0.098 0.000 2.402 298 W HA 0.222 2.439 4.660 -4.072 0.000 0.286 298 W C 1.230 177.782 176.519 0.055 0.000 1.221 298 W CA 1.490 58.880 57.345 0.075 0.000 1.257 298 W CB -0.686 28.820 29.460 0.077 0.000 1.120 298 W HN 0.078 nan 8.180 nan 0.000 0.551 299 G N -0.294 108.672 108.800 0.278 0.000 2.705 299 G HA2 -0.231 1.285 3.960 -4.072 0.000 0.686 299 G HA3 -0.231 1.285 3.960 -4.072 0.000 0.686 299 G C 0.284 175.290 174.900 0.176 0.000 1.285 299 G CA -0.459 44.736 45.100 0.159 0.000 0.800 299 G HN -0.016 nan 8.290 nan 0.000 0.611 300 I N 1.427 122.055 120.570 0.097 0.000 2.286 300 I HA -0.186 1.541 4.170 -4.072 0.000 0.248 300 I C 3.039 179.252 176.117 0.161 0.000 1.115 300 I CA 2.594 63.956 61.300 0.102 0.000 1.392 300 I CB -1.171 36.833 38.000 0.008 0.000 1.065 300 I HN 0.855 nan 8.210 nan 0.000 0.418 301 A N 0.293 123.174 122.820 0.101 0.000 1.898 301 A HA -0.240 1.637 4.320 -4.072 0.000 0.216 301 A C 2.427 180.048 177.584 0.061 0.000 1.181 301 A CA 1.607 53.685 52.037 0.069 0.000 0.620 301 A CB -0.515 18.503 19.000 0.030 0.000 0.819 301 A HN 0.323 nan 8.150 nan 0.000 0.442 302 K N -1.441 118.989 120.400 0.050 0.000 2.063 302 K HA -0.182 1.695 4.320 -4.072 0.000 0.208 302 K C 1.798 178.409 176.600 0.019 0.000 1.048 302 K CA 1.670 57.918 56.287 -0.065 0.000 0.928 302 K CB -0.336 32.043 32.500 -0.201 0.000 0.713 302 K HN 0.420 nan 8.250 nan 0.000 0.442 303 F N 1.828 121.864 119.950 0.143 0.000 2.069 303 F HA -0.231 1.853 4.527 -4.071 0.000 0.298 303 F C 2.505 178.381 175.800 0.126 0.000 1.113 303 F CA 1.889 60.052 58.000 0.271 0.000 1.214 303 F CB -0.328 38.807 39.000 0.225 0.000 0.978 303 F HN -0.053 nan 8.300 nan 0.000 0.474 304 R N 0.210 120.786 120.500 0.127 0.000 2.091 304 R HA -0.253 1.644 4.340 -4.072 0.000 0.238 304 R C 2.288 178.543 176.300 -0.075 0.000 1.136 304 R CA 1.965 58.065 56.100 -0.000 0.000 0.959 304 R CB -0.509 29.846 30.300 0.092 0.000 0.856 304 R HN 0.469 nan 8.270 nan 0.000 0.437 305 E N -0.197 119.969 120.200 -0.058 0.000 2.021 305 E HA -0.207 1.700 4.350 -4.072 0.000 0.200 305 E C 1.843 178.380 176.600 -0.107 0.000 1.015 305 E CA 2.358 58.710 56.400 -0.079 0.000 0.824 305 E CB -0.256 29.383 29.700 -0.101 0.000 0.762 305 E HN 0.166 nan 8.360 nan 0.000 0.454 306 V N 0.642 120.453 119.914 -0.172 0.000 2.324 306 V HA -0.275 1.402 4.120 -4.072 0.000 0.250 306 V C 2.471 178.557 176.094 -0.014 0.000 1.060 306 V CA 1.871 64.094 62.300 -0.130 0.000 1.042 306 V CB -0.625 31.054 31.823 -0.239 0.000 0.650 306 V HN 0.370 nan 8.190 nan 0.000 0.450 307 L N -0.080 121.037 121.223 -0.177 0.000 2.056 307 L HA -0.160 1.737 4.340 -4.072 0.000 0.207 307 L C 2.392 179.282 176.870 0.033 0.000 1.078 307 L CA 1.993 56.745 54.840 -0.147 0.000 0.749 307 L CB -0.471 41.321 42.059 -0.445 0.000 0.901 307 L HN 0.351 nan 8.230 nan 0.000 0.433 308 E N -1.213 118.985 120.200 -0.004 0.000 2.072 308 E HA -0.168 1.739 4.350 -4.072 0.000 0.190 308 E C 2.013 178.633 176.600 0.033 0.000 0.982 308 E CA 1.612 58.029 56.400 0.029 0.000 0.803 308 E CB -0.184 29.525 29.700 0.016 0.000 0.755 308 E HN 0.690 nan 8.360 nan 0.000 0.453 309 T N -1.331 113.230 114.554 0.013 0.000 2.985 309 T HA -0.012 1.895 4.350 -4.072 0.000 0.266 309 T C 1.536 176.226 174.700 -0.016 0.000 1.076 309 T CA 0.808 62.906 62.100 -0.003 0.000 1.135 309 T CB 0.027 68.881 68.868 -0.023 0.000 0.890 309 T HN 0.088 nan 8.240 nan 0.000 0.480 310 E N -0.994 119.203 120.200 -0.003 0.000 2.399 310 E HA 0.173 2.080 4.350 -4.072 0.000 0.205 310 E C 0.898 177.276 176.600 -0.370 0.000 0.906 310 E CA 0.198 56.491 56.400 -0.177 0.000 0.998 310 E CB 0.352 29.934 29.700 -0.197 0.000 1.002 310 E HN 0.581 nan 8.360 nan 0.000 0.501 311 Y N -0.335 119.991 120.300 0.043 0.000 2.652 311 Y HA 0.219 2.326 4.550 -4.071 0.000 0.275 311 Y C 1.898 177.832 175.900 0.056 0.000 1.133 311 Y CA 0.032 58.165 58.100 0.056 0.000 1.246 311 Y CB 0.435 38.933 38.460 0.063 0.000 1.334 311 Y HN -0.131 nan 8.280 nan 0.000 0.493 312 L N -0.293 121.047 121.223 0.195 0.000 2.307 312 L HA 0.031 1.928 4.340 -4.072 0.000 0.211 312 L C 0.380 177.303 176.870 0.089 0.000 1.099 312 L CA 0.463 55.385 54.840 0.136 0.000 0.816 312 L CB -0.002 42.129 42.059 0.120 0.000 0.952 312 L HN -0.058 nan 8.230 nan 0.000 0.455 313 K N 1.288 121.726 120.400 0.063 0.000 3.167 313 K HA -0.174 1.703 4.320 -4.072 0.000 0.272 313 K C -0.461 176.161 176.600 0.036 0.000 1.137 313 K CA 0.778 57.086 56.287 0.035 0.000 0.800 313 K CB -1.880 30.636 32.500 0.025 0.000 1.253 313 K HN 0.696 nan 8.250 nan 0.000 0.497 314 R N -2.529 117.996 120.500 0.042 0.000 2.753 314 R HA 0.444 2.341 4.340 -4.072 0.000 0.272 314 R C -3.179 173.147 176.300 0.043 0.000 1.034 314 R CA -1.709 54.415 56.100 0.040 0.000 0.869 314 R CB 1.200 31.527 30.300 0.045 0.000 1.264 314 R HN -0.203 nan 8.270 nan 0.000 0.481 315 P HA 0.178 nan 4.420 nan 0.000 0.278 315 P C -0.528 176.808 177.300 0.060 0.000 1.238 315 P CA -0.438 62.690 63.100 0.045 0.000 0.794 315 P CB 0.869 32.593 31.700 0.041 0.000 0.955 316 L N 3.372 124.638 121.223 0.073 0.000 2.319 316 L HA 0.212 2.109 4.340 -4.072 0.000 0.280 316 L C 0.764 177.702 176.870 0.113 0.000 1.099 316 L CA -0.855 54.043 54.840 0.098 0.000 0.828 316 L CB 0.045 42.169 42.059 0.109 0.000 1.150 316 L HN 0.290 nan 8.230 nan 0.000 0.442 317 I N 3.527 124.173 120.570 0.126 0.000 2.821 317 I HA -0.129 1.598 4.170 -4.072 0.000 0.294 317 I C 0.590 176.837 176.117 0.216 0.000 1.210 317 I CA 0.405 61.787 61.300 0.137 0.000 1.430 317 I CB -0.237 37.806 38.000 0.073 0.000 1.356 317 I HN 0.482 nan 8.210 nan 0.000 0.563 318 D N 4.579 125.094 120.400 0.192 0.000 2.400 318 D HA 0.469 2.666 4.640 -4.072 0.000 0.238 318 D C 0.360 176.859 176.300 0.332 0.000 1.157 318 D CA 0.548 54.674 54.000 0.209 0.000 0.889 318 D CB 1.016 41.903 40.800 0.145 0.000 1.199 318 D HN 0.761 nan 8.370 nan 0.000 0.436 319 G N 0.222 109.190 108.800 0.281 0.000 2.601 319 G HA2 0.491 2.008 3.960 -4.072 0.000 0.291 319 G HA3 0.491 2.008 3.960 -4.072 0.000 0.291 319 G C -2.990 171.998 174.900 0.146 0.000 1.456 319 G CA -0.963 44.314 45.100 0.295 0.000 0.804 319 G HN 0.278 nan 8.290 nan 0.000 0.499 320 P HA 0.490 nan 4.420 nan 0.000 0.274 320 P C -0.008 177.355 177.300 0.104 0.000 1.246 320 P CA -0.061 63.062 63.100 0.039 0.000 0.795 320 P CB 1.243 32.930 31.700 -0.023 0.000 1.006 321 A N 2.421 125.288 122.820 0.078 0.000 2.340 321 A HA 0.521 2.398 4.320 -4.072 0.000 0.268 321 A C -1.977 175.707 177.584 0.167 0.000 1.100 321 A CA -1.442 50.673 52.037 0.129 0.000 0.803 321 A CB -0.955 18.097 19.000 0.087 0.000 1.043 321 A HN 0.451 nan 8.150 nan 0.000 0.488 322 P HA 0.069 nan 4.420 nan 0.000 0.271 322 P C -0.412 176.988 177.300 0.167 0.000 1.218 322 P CA -0.215 62.995 63.100 0.183 0.000 0.780 322 P CB 0.522 32.328 31.700 0.177 0.000 0.901 323 E N 3.013 123.286 120.200 0.121 0.000 2.328 323 E HA 0.114 2.021 4.350 -4.072 0.000 0.265 323 E C -1.908 174.762 176.600 0.115 0.000 1.057 323 E CA -1.786 54.676 56.400 0.103 0.000 0.916 323 E CB -0.050 29.694 29.700 0.075 0.000 0.993 323 E HN 0.262 nan 8.360 nan 0.000 0.446 324 P HA -0.050 nan 4.420 nan 0.000 0.267 324 P C -0.710 176.640 177.300 0.082 0.000 1.209 324 P CA -0.154 63.020 63.100 0.125 0.000 0.763 324 P CB 0.511 32.288 31.700 0.130 0.000 0.816 325 V N 1.538 121.497 119.914 0.074 0.000 2.775 325 V HA 0.219 1.896 4.120 -4.072 0.000 0.299 325 V C 1.224 177.329 176.094 0.018 0.000 1.062 325 V CA -0.113 62.222 62.300 0.057 0.000 1.063 325 V CB 0.870 32.729 31.823 0.061 0.000 0.994 325 V HN 0.288 nan 8.190 nan 0.000 0.483 326 K N 0.392 120.792 120.400 0.000 0.000 2.305 326 K HA 0.190 2.067 4.320 -4.072 0.000 0.199 326 K C 0.475 176.820 176.600 -0.425 0.000 1.047 326 K CA 0.906 57.087 56.287 -0.176 0.000 0.976 326 K CB -0.046 32.352 32.500 -0.169 0.000 0.765 326 K HN 0.855 nan 8.250 nan 0.000 0.474 327 H N -0.277 118.772 119.070 -0.035 0.000 2.679 327 H HA 0.288 2.400 4.556 -4.074 0.000 0.360 327 H C -2.453 172.825 175.328 -0.082 0.000 1.105 327 H CA -2.523 53.484 56.048 -0.067 0.000 1.196 327 H CB 1.460 31.176 29.762 -0.077 0.000 1.636 327 H HN -0.152 nan 8.280 nan 0.000 0.531 328 P HA 0.108 nan 4.420 nan 0.000 0.269 328 P C -0.062 177.146 177.300 -0.153 0.000 1.209 328 P CA -0.014 63.021 63.100 -0.109 0.000 0.776 328 P CB 0.797 32.355 31.700 -0.236 0.000 0.876 329 I N 2.310 122.783 120.570 -0.160 0.000 2.337 329 I HA 0.167 1.894 4.170 -4.072 0.000 0.285 329 I C 0.541 176.446 176.117 -0.354 0.000 1.041 329 I CA -0.273 60.878 61.300 -0.249 0.000 1.199 329 I CB 1.104 38.973 38.000 -0.218 0.000 1.370 329 I HN 0.364 nan 8.210 nan 0.000 0.470 330 D N 3.516 123.709 120.400 -0.345 0.000 2.389 330 D HA -0.077 2.120 4.640 -4.072 0.000 0.206 330 D C 0.962 177.228 176.300 -0.056 0.000 1.055 330 D CA 0.185 54.059 54.000 -0.211 0.000 0.856 330 D CB 0.074 40.727 40.800 -0.244 0.000 0.957 330 D HN 0.554 nan 8.370 nan 0.000 0.509 331 H N -1.541 117.538 119.070 0.015 0.000 3.641 331 H HA -0.134 1.980 4.556 -4.070 0.000 0.193 331 H C -0.183 175.157 175.328 0.021 0.000 1.013 331 H CA 0.710 56.773 56.048 0.025 0.000 1.212 331 H CB -2.076 27.713 29.762 0.046 0.000 1.089 331 H HN 0.168 nan 8.280 nan 0.000 0.339 332 V N 0.859 120.827 119.914 0.091 0.000 2.673 332 V HA 0.382 2.059 4.120 -4.072 0.000 0.303 332 V C 1.466 177.588 176.094 0.047 0.000 1.046 332 V CA 1.513 63.849 62.300 0.061 0.000 1.126 332 V CB 1.067 32.904 31.823 0.023 0.000 0.934 332 V HN 0.925 nan 8.190 nan 0.000 0.487 333 G N 3.378 112.205 108.800 0.045 0.000 2.603 333 G HA2 -0.029 1.487 3.960 -4.072 0.000 0.686 333 G HA3 -0.029 1.487 3.960 -4.072 0.000 0.686 333 G C -0.953 173.970 174.900 0.038 0.000 1.286 333 G CA -0.587 44.533 45.100 0.033 0.000 0.871 333 G HN 0.938 nan 8.290 nan 0.000 0.568 334 V N 1.287 121.217 119.914 0.028 0.000 2.607 334 V HA 0.677 2.354 4.120 -4.072 0.000 0.289 334 V C 0.593 176.702 176.094 0.025 0.000 1.053 334 V CA 0.632 62.946 62.300 0.024 0.000 0.996 334 V CB 1.070 32.904 31.823 0.018 0.000 0.995 334 V HN 1.150 nan 8.190 nan 0.000 0.476 335 Q N 2.499 122.313 119.800 0.023 0.000 2.377 335 Q HA 0.704 2.601 4.340 -4.072 0.000 0.279 335 Q C -0.919 175.089 176.000 0.014 0.000 1.049 335 Q CA -1.209 54.608 55.803 0.023 0.000 0.825 335 Q CB 2.124 30.887 28.738 0.041 0.000 1.401 335 Q HN 0.493 nan 8.270 nan 0.000 0.404 336 R N 1.358 121.865 120.500 0.013 0.000 2.594 336 R HA 0.459 2.356 4.340 -4.072 0.000 0.272 336 R C -1.016 175.287 176.300 0.006 0.000 1.074 336 R CA 0.135 56.240 56.100 0.008 0.000 1.105 336 R CB 0.334 30.640 30.300 0.009 0.000 1.008 336 R HN 0.741 nan 8.270 nan 0.000 0.472 337 L N 3.296 124.519 121.223 0.001 0.000 2.298 337 L HA 0.415 2.312 4.340 -4.072 0.000 0.268 337 L C 1.320 178.190 176.870 0.001 0.000 1.010 337 L CA -1.003 53.835 54.840 -0.003 0.000 0.812 337 L CB 1.326 43.378 42.059 -0.011 0.000 1.331 337 L HN 0.654 nan 8.230 nan 0.000 0.450 338 K N 0.196 120.596 120.400 0.000 0.000 2.103 338 K HA -0.159 1.718 4.320 -4.072 0.000 0.207 338 K C 1.587 178.188 176.600 0.001 0.000 1.048 338 K CA 1.292 57.580 56.287 0.003 0.000 0.930 338 K CB -0.080 32.423 32.500 0.004 0.000 0.716 338 K HN 0.435 nan 8.250 nan 0.000 0.444 339 N N -0.085 118.614 118.700 -0.002 0.000 2.144 339 N HA -0.207 2.090 4.740 -4.072 0.000 0.195 339 N C 1.313 176.823 175.510 -0.000 0.000 1.006 339 N CA 1.815 54.863 53.050 -0.002 0.000 0.880 339 N CB -0.349 38.135 38.487 -0.005 0.000 1.018 339 N HN 0.474 nan 8.380 nan 0.000 0.443 340 G N -1.805 106.996 108.800 0.001 0.000 2.217 340 G HA2 -0.273 1.244 3.960 -4.072 0.000 0.246 340 G HA3 -0.273 1.244 3.960 -4.072 0.000 0.246 340 G C 0.109 175.010 174.900 0.001 0.000 0.990 340 G CA 0.500 45.602 45.100 0.002 0.000 0.627 340 G HN 0.309 nan 8.290 nan 0.000 0.522 341 L N 0.330 121.553 121.223 -0.001 0.000 2.472 341 L HA 0.524 2.420 4.340 -4.072 0.000 0.256 341 L C 0.530 177.399 176.870 -0.002 0.000 1.111 341 L CA -1.219 53.620 54.840 -0.002 0.000 0.800 341 L CB 0.387 42.444 42.059 -0.004 0.000 1.286 341 L HN 0.053 nan 8.230 nan 0.000 0.479 342 N N -0.066 118.634 118.700 -0.001 0.000 2.472 342 N HA 0.618 2.915 4.740 -4.072 0.000 0.289 342 N C -0.846 174.661 175.510 -0.004 0.000 1.156 342 N CA -0.400 52.650 53.050 0.000 0.000 0.940 342 N CB 1.956 40.446 38.487 0.004 0.000 1.200 342 N HN 0.617 nan 8.380 nan 0.000 0.511 343 A N 0.497 123.314 122.820 -0.005 0.000 2.356 343 A HA 0.673 2.550 4.320 -4.072 0.000 0.323 343 A C -0.738 176.849 177.584 0.005 0.000 1.119 343 A CA -0.609 51.422 52.037 -0.010 0.000 0.790 343 A CB 1.067 20.049 19.000 -0.032 0.000 1.273 343 A HN 0.356 nan 8.150 nan 0.000 0.452 344 V N 1.246 121.165 119.914 0.009 0.000 2.407 344 V HA 0.609 2.286 4.120 -4.072 0.000 0.291 344 V C 0.651 176.768 176.094 0.037 0.000 1.018 344 V CA -0.243 62.071 62.300 0.024 0.000 0.842 344 V CB 1.435 33.272 31.823 0.023 0.000 0.996 344 V HN 1.157 nan 8.190 nan 0.000 0.426 345 G N 3.798 112.630 108.800 0.054 0.000 2.319 345 G HA2 0.600 2.117 3.960 -4.072 0.000 0.308 345 G HA3 0.600 2.117 3.960 -4.072 0.000 0.308 345 G C -0.423 174.518 174.900 0.068 0.000 1.117 345 G CA -0.387 44.758 45.100 0.075 0.000 0.903 345 G HN 0.887 nan 8.290 nan 0.000 0.436 346 V N 0.317 120.277 119.914 0.076 0.000 2.667 346 V HA 0.897 2.574 4.120 -4.072 0.000 0.308 346 V C 0.234 176.374 176.094 0.078 0.000 1.048 346 V CA -1.246 61.096 62.300 0.070 0.000 0.928 346 V CB 1.638 33.502 31.823 0.067 0.000 1.004 346 V HN 1.070 nan 8.190 nan 0.000 0.444 347 A N 5.007 127.867 122.820 0.067 0.000 2.256 347 A HA 0.898 2.775 4.320 -4.072 0.000 0.317 347 A C -2.457 175.167 177.584 0.067 0.000 1.318 347 A CA -1.711 50.367 52.037 0.068 0.000 0.894 347 A CB 0.406 19.441 19.000 0.058 0.000 1.165 347 A HN 0.781 nan 8.150 nan 0.000 0.525 348 P HA 0.434 nan 4.420 nan 0.000 0.289 348 P C -0.564 176.770 177.300 0.056 0.000 1.299 348 P CA -0.430 62.706 63.100 0.059 0.000 0.766 348 P CB 0.525 32.257 31.700 0.054 0.000 1.226 349 I N -0.413 120.185 120.570 0.047 0.000 2.321 349 I HA 0.418 2.145 4.170 -4.072 0.000 0.291 349 I C 0.428 176.564 176.117 0.032 0.000 0.998 349 I CA -0.621 60.704 61.300 0.042 0.000 1.227 349 I CB 0.477 38.497 38.000 0.033 0.000 1.368 349 I HN 0.452 nan 8.210 nan 0.000 0.466 350 A N 5.068 127.911 122.820 0.039 0.000 2.640 350 A HA -0.125 1.752 4.320 -4.072 0.000 0.300 350 A C 1.548 179.148 177.584 0.026 0.000 1.499 350 A CA 0.857 52.914 52.037 0.033 0.000 0.759 350 A CB -1.928 17.084 19.000 0.019 0.000 1.048 350 A HN 1.795 nan 8.150 nan 0.000 0.450 351 G N -1.430 107.386 108.800 0.028 0.000 2.196 351 G HA2 -0.351 1.166 3.960 -4.072 0.000 0.268 351 G HA3 -0.351 1.166 3.960 -4.072 0.000 0.268 351 G C 0.274 175.178 174.900 0.007 0.000 0.975 351 G CA 1.428 46.532 45.100 0.006 0.000 0.648 351 G HN 1.911 nan 8.290 nan 0.000 0.538 352 R N 0.479 120.994 120.500 0.025 0.000 2.272 352 R HA 0.517 2.414 4.340 -4.072 0.000 0.334 352 R C 0.838 177.165 176.300 0.045 0.000 1.117 352 R CA 0.205 56.328 56.100 0.038 0.000 0.966 352 R CB 0.243 30.563 30.300 0.032 0.000 1.049 352 R HN 0.668 nan 8.270 nan 0.000 0.477 353 V N 0.764 120.708 119.914 0.050 0.000 3.240 353 V HA 0.787 2.464 4.120 -4.072 0.000 0.306 353 V C -0.309 175.836 176.094 0.086 0.000 1.227 353 V CA -0.515 61.823 62.300 0.064 0.000 1.047 353 V CB 1.793 33.654 31.823 0.063 0.000 1.203 353 V HN 0.750 nan 8.190 nan 0.000 0.471 354 S N -1.342 114.414 115.700 0.093 0.000 2.671 354 S HA 0.686 2.713 4.470 -4.072 0.000 0.299 354 S C 1.008 175.677 174.600 0.116 0.000 1.116 354 S CA -0.072 58.193 58.200 0.108 0.000 0.912 354 S CB 1.040 64.293 63.200 0.088 0.000 1.130 354 S HN 1.733 nan 8.310 nan 0.000 0.501 355 G N 1.057 109.930 108.800 0.121 0.000 2.529 355 G HA2 -0.199 1.318 3.960 -4.072 0.000 0.219 355 G HA3 -0.199 1.318 3.960 -4.072 0.000 0.219 355 G C 1.177 176.125 174.900 0.081 0.000 1.177 355 G CA 1.732 46.896 45.100 0.107 0.000 0.773 355 G HN 0.768 nan 8.290 nan 0.000 0.573 356 T N 1.260 115.851 114.554 0.062 0.000 2.665 356 T HA -0.127 1.779 4.350 -4.072 0.000 0.268 356 T C 2.394 177.129 174.700 0.059 0.000 1.035 356 T CA 1.315 63.444 62.100 0.049 0.000 1.151 356 T CB -0.226 68.665 68.868 0.039 0.000 0.862 356 T HN 0.276 nan 8.240 nan 0.000 0.438 357 I N 0.673 121.284 120.570 0.069 0.000 2.163 357 I HA -0.179 1.548 4.170 -4.072 0.000 0.243 357 I C 2.332 178.500 176.117 0.085 0.000 1.085 357 I CA 1.257 62.600 61.300 0.073 0.000 1.347 357 I CB -0.458 37.587 38.000 0.075 0.000 1.044 357 I HN 0.214 nan 8.210 nan 0.000 0.408 358 L N -0.054 121.232 121.223 0.105 0.000 2.013 358 L HA -0.251 1.646 4.340 -4.072 0.000 0.212 358 L C 2.675 179.606 176.870 0.101 0.000 1.073 358 L CA 1.906 56.823 54.840 0.128 0.000 0.753 358 L CB -1.274 40.884 42.059 0.166 0.000 0.890 358 L HN 0.306 nan 8.230 nan 0.000 0.432 359 T N 0.074 114.678 114.554 0.083 0.000 2.652 359 T HA -0.196 1.711 4.350 -4.072 0.000 0.267 359 T C 2.019 176.749 174.700 0.050 0.000 1.039 359 T CA 1.409 63.545 62.100 0.061 0.000 1.153 359 T CB -0.374 68.522 68.868 0.046 0.000 0.863 359 T HN 0.458 nan 8.240 nan 0.000 0.428 360 A N 0.862 123.711 122.820 0.049 0.000 1.978 360 A HA -0.068 1.809 4.320 -4.072 0.000 0.220 360 A C 2.560 180.170 177.584 0.043 0.000 1.170 360 A CA 1.421 53.483 52.037 0.041 0.000 0.636 360 A CB -0.938 18.086 19.000 0.041 0.000 0.810 360 A HN 0.387 nan 8.150 nan 0.000 0.448 361 V N -0.557 119.390 119.914 0.055 0.000 2.407 361 V HA -0.138 1.539 4.120 -4.072 0.000 0.245 361 V C 3.013 179.134 176.094 0.045 0.000 1.041 361 V CA 1.590 63.922 62.300 0.055 0.000 1.040 361 V CB -1.175 30.693 31.823 0.075 0.000 0.671 361 V HN 0.590 nan 8.190 nan 0.000 0.455 362 A N 0.083 122.932 122.820 0.048 0.000 1.940 362 A HA -0.270 1.607 4.320 -4.072 0.000 0.219 362 A C 1.957 179.557 177.584 0.027 0.000 1.176 362 A CA 2.142 54.201 52.037 0.037 0.000 0.631 362 A CB -0.580 18.446 19.000 0.043 0.000 0.814 362 A HN 0.547 nan 8.150 nan 0.000 0.446 363 D N 0.016 120.433 120.400 0.028 0.000 2.117 363 D HA -0.078 2.119 4.640 -4.072 0.000 0.198 363 D C 1.933 178.245 176.300 0.020 0.000 0.982 363 D CA 0.899 54.912 54.000 0.022 0.000 0.828 363 D CB -0.361 40.452 40.800 0.022 0.000 0.967 363 D HN 0.457 nan 8.370 nan 0.000 0.464 364 L N 0.118 121.355 121.223 0.023 0.000 2.131 364 L HA -0.140 1.757 4.340 -4.072 0.000 0.210 364 L C 2.544 179.424 176.870 0.016 0.000 1.092 364 L CA 0.719 55.571 54.840 0.020 0.000 0.759 364 L CB -0.290 41.784 42.059 0.024 0.000 0.903 364 L HN 0.046 nan 8.230 nan 0.000 0.435 365 M N -0.776 118.833 119.600 0.015 0.000 2.099 365 M HA -0.188 1.849 4.480 -4.072 0.000 0.262 365 M C 2.598 178.902 176.300 0.007 0.000 1.067 365 M CA 1.848 57.153 55.300 0.009 0.000 1.124 365 M CB -0.461 32.142 32.600 0.006 0.000 1.353 365 M HN 0.323 nan 8.290 nan 0.000 0.410 366 A N 0.519 123.344 122.820 0.009 0.000 1.884 366 A HA -0.236 1.641 4.320 -4.072 0.000 0.219 366 A C 2.134 179.722 177.584 0.007 0.000 1.197 366 A CA 1.951 53.993 52.037 0.008 0.000 0.637 366 A CB -0.860 18.146 19.000 0.010 0.000 0.827 366 A HN 0.435 nan 8.150 nan 0.000 0.450 367 R N -0.999 119.507 120.500 0.009 0.000 2.117 367 R HA -0.162 1.735 4.340 -4.072 0.000 0.243 367 R C 2.170 178.475 176.300 0.007 0.000 1.143 367 R CA 1.347 57.453 56.100 0.009 0.000 0.968 367 R CB -0.365 29.942 30.300 0.011 0.000 0.863 367 R HN 0.550 nan 8.270 nan 0.000 0.444 368 A N -0.799 122.025 122.820 0.007 0.000 2.178 368 A HA 0.219 2.096 4.320 -4.072 0.000 0.211 368 A C 1.382 178.968 177.584 0.003 0.000 1.157 368 A CA 0.814 52.854 52.037 0.005 0.000 0.780 368 A CB 0.250 19.254 19.000 0.006 0.000 0.828 368 A HN 0.450 nan 8.150 nan 0.000 0.476 369 G N -0.698 108.103 108.800 0.003 0.000 2.143 369 G HA2 -0.218 1.298 3.960 -4.072 0.000 0.249 369 G HA3 -0.218 1.298 3.960 -4.072 0.000 0.249 369 G C 0.402 175.301 174.900 -0.002 0.000 0.981 369 G CA 0.588 45.689 45.100 0.001 0.000 0.665 369 G HN 1.306 nan 8.290 nan 0.000 0.528 370 S N -0.309 115.390 115.700 -0.003 0.000 2.489 370 S HA 0.538 2.565 4.470 -4.072 0.000 0.277 370 S C 0.541 175.135 174.600 -0.010 0.000 1.230 370 S CA 0.424 58.619 58.200 -0.007 0.000 1.053 370 S CB 1.472 64.668 63.200 -0.007 0.000 0.955 370 S HN 0.253 nan 8.310 nan 0.000 0.488 371 D N 3.169 123.560 120.400 -0.015 0.000 2.469 371 D HA 0.242 2.439 4.640 -4.072 0.000 0.213 371 D C -0.112 176.170 176.300 -0.031 0.000 1.135 371 D CA 0.024 54.013 54.000 -0.018 0.000 0.834 371 D CB 0.416 41.209 40.800 -0.013 0.000 1.009 371 D HN 0.488 nan 8.370 nan 0.000 0.507 372 R N 0.654 121.131 120.500 -0.038 0.000 2.439 372 R HA 0.591 2.488 4.340 -4.072 0.000 0.310 372 R C -0.979 175.277 176.300 -0.073 0.000 0.955 372 R CA -0.576 55.491 56.100 -0.056 0.000 0.853 372 R CB 2.501 32.771 30.300 -0.049 0.000 1.171 372 R HN 0.100 nan 8.270 nan 0.000 0.449 373 I N 1.778 122.280 120.570 -0.113 0.000 2.647 373 I HA 0.571 2.298 4.170 -4.072 0.000 0.295 373 I C -1.284 174.692 176.117 -0.236 0.000 1.078 373 I CA -1.058 60.150 61.300 -0.153 0.000 1.048 373 I CB 1.827 39.724 38.000 -0.171 0.000 1.239 373 I HN 0.510 nan 8.210 nan 0.000 0.421 374 R N 5.418 125.791 120.500 -0.212 0.000 2.621 374 R HA 0.555 2.452 4.340 -4.072 0.000 0.292 374 R C -1.400 174.805 176.300 -0.159 0.000 0.969 374 R CA -0.362 55.606 56.100 -0.221 0.000 0.887 374 R CB 1.494 31.734 30.300 -0.100 0.000 1.180 374 R HN 0.341 nan 8.270 nan 0.000 0.450 375 F N 0.092 120.051 119.950 0.015 0.000 2.378 375 F HA 0.415 2.499 4.527 -4.072 0.000 0.319 375 F C 1.006 176.824 175.800 0.030 0.000 1.155 375 F CA -0.265 57.748 58.000 0.022 0.000 1.157 375 F CB 1.003 40.009 39.000 0.009 0.000 1.252 375 F HN 0.238 nan 8.300 nan 0.000 0.550 376 T N 2.934 117.648 114.554 0.267 0.000 2.829 376 T HA 0.283 2.190 4.350 -4.072 0.000 0.280 376 T C -2.014 172.741 174.700 0.090 0.000 0.999 376 T CA -1.266 60.943 62.100 0.182 0.000 0.983 376 T CB 2.036 71.036 68.868 0.221 0.000 0.968 376 T HN 0.204 nan 8.240 nan 0.000 0.446 377 P HA -0.026 nan 4.420 nan 0.000 0.226 377 P C -0.047 177.010 177.300 -0.406 0.000 1.146 377 P CA 0.956 63.927 63.100 -0.216 0.000 0.773 377 P CB -0.049 31.459 31.700 -0.320 0.000 0.772 378 Y N -0.829 119.489 120.300 0.029 0.000 2.751 378 Y HA 0.242 2.350 4.550 -4.070 0.000 0.289 378 Y C 0.753 176.666 175.900 0.022 0.000 1.110 378 Y CA -0.380 57.729 58.100 0.015 0.000 1.251 378 Y CB -0.748 37.715 38.460 0.006 0.000 1.178 378 Y HN -0.088 nan 8.280 nan 0.000 0.540 379 Q N -1.181 118.674 119.800 0.090 0.000 2.481 379 Q HA -0.269 1.628 4.340 -4.072 0.000 0.258 379 Q C -0.247 175.802 176.000 0.082 0.000 0.961 379 Q CA 0.901 56.735 55.803 0.051 0.000 1.121 379 Q CB -1.326 27.433 28.738 0.034 0.000 1.503 379 Q HN 0.417 nan 8.270 nan 0.000 0.544 380 K N 0.612 121.095 120.400 0.137 0.000 2.210 380 K HA 0.817 2.694 4.320 -4.072 0.000 0.236 380 K C -0.155 176.567 176.600 0.205 0.000 1.016 380 K CA -0.661 55.715 56.287 0.150 0.000 0.913 380 K CB 0.995 33.587 32.500 0.153 0.000 1.141 380 K HN 0.235 nan 8.250 nan 0.000 0.462 381 L N -1.974 119.369 121.223 0.200 0.000 2.431 381 L HA 0.784 2.681 4.340 -4.072 0.000 0.266 381 L C -1.044 175.905 176.870 0.131 0.000 0.978 381 L CA -1.199 53.780 54.840 0.231 0.000 0.822 381 L CB 1.868 44.142 42.059 0.359 0.000 1.310 381 L HN 0.382 nan 8.230 nan 0.000 0.409 382 V N 3.777 123.739 119.914 0.080 0.000 2.555 382 V HA 0.607 2.284 4.120 -4.072 0.000 0.302 382 V C -0.419 175.671 176.094 -0.006 0.000 1.038 382 V CA -0.452 61.870 62.300 0.037 0.000 0.887 382 V CB 1.826 33.665 31.823 0.027 0.000 0.991 382 V HN 0.657 nan 8.190 nan 0.000 0.434 383 I N 6.732 127.302 120.570 -0.001 0.000 2.396 383 I HA 0.442 2.169 4.170 -4.072 0.000 0.292 383 I C 0.283 176.387 176.117 -0.023 0.000 0.999 383 I CA -0.396 60.895 61.300 -0.016 0.000 1.310 383 I CB 1.026 39.026 38.000 -0.001 0.000 1.404 383 I HN 0.572 nan 8.210 nan 0.000 0.496 384 L N 4.031 125.234 121.223 -0.034 0.000 2.331 384 L HA 0.430 2.327 4.340 -4.072 0.000 0.268 384 L C 0.047 176.904 176.870 -0.022 0.000 1.015 384 L CA -0.856 53.964 54.840 -0.033 0.000 0.807 384 L CB 0.759 42.792 42.059 -0.045 0.000 1.293 384 L HN 0.584 nan 8.230 nan 0.000 0.451 385 D N 0.609 120.998 120.400 -0.019 0.000 2.701 385 D HA -0.170 2.027 4.640 -4.072 0.000 0.235 385 D C -0.351 175.945 176.300 -0.007 0.000 1.155 385 D CA 0.668 54.661 54.000 -0.012 0.000 0.649 385 D CB -1.233 39.559 40.800 -0.013 0.000 1.050 385 D HN 0.127 nan 8.370 nan 0.000 0.425 386 I N 0.684 121.251 120.570 -0.005 0.000 2.352 386 I HA 0.207 1.934 4.170 -4.072 0.000 0.290 386 I C -1.712 174.405 176.117 0.000 0.000 1.036 386 I CA -2.171 59.129 61.300 -0.001 0.000 1.336 386 I CB 0.169 38.170 38.000 0.002 0.000 1.407 386 I HN -0.181 nan 8.210 nan 0.000 0.497 387 P HA 0.172 nan 4.420 nan 0.000 0.279 387 P C 0.131 177.433 177.300 0.003 0.000 1.239 387 P CA -0.221 62.880 63.100 0.002 0.000 0.789 387 P CB 1.291 32.992 31.700 0.002 0.000 0.933 388 D N 2.919 123.321 120.400 0.004 0.000 2.268 388 D HA -0.274 1.923 4.640 -4.072 0.000 0.189 388 D C 2.082 178.385 176.300 0.005 0.000 1.010 388 D CA 2.689 56.692 54.000 0.005 0.000 0.862 388 D CB -1.015 39.788 40.800 0.004 0.000 0.943 388 D HN 0.482 nan 8.370 nan 0.000 0.451 389 A N 0.056 122.879 122.820 0.005 0.000 1.958 389 A HA -0.173 1.704 4.320 -4.072 0.000 0.221 389 A C 1.989 179.576 177.584 0.006 0.000 1.178 389 A CA 1.426 53.466 52.037 0.005 0.000 0.642 389 A CB -0.562 18.440 19.000 0.004 0.000 0.816 389 A HN 0.380 nan 8.150 nan 0.000 0.453 390 L N -1.200 120.026 121.223 0.006 0.000 2.965 390 L HA 0.259 2.156 4.340 -4.072 0.000 0.254 390 L C 1.544 178.419 176.870 0.008 0.000 1.220 390 L CA -0.292 54.552 54.840 0.007 0.000 1.023 390 L CB 0.227 42.289 42.059 0.006 0.000 1.355 390 L HN 0.325 nan 8.230 nan 0.000 0.545 391 L N 0.176 121.404 121.223 0.008 0.000 2.084 391 L HA 0.028 1.924 4.340 -4.072 0.000 0.202 391 L C 1.731 178.608 176.870 0.011 0.000 1.074 391 L CA 1.939 56.784 54.840 0.010 0.000 0.757 391 L CB -0.161 41.903 42.059 0.009 0.000 0.918 391 L HN 0.140 nan 8.230 nan 0.000 0.444 392 D N 0.089 120.496 120.400 0.011 0.000 2.149 392 D HA -0.204 1.993 4.640 -4.072 0.000 0.198 392 D C 1.644 177.952 176.300 0.013 0.000 0.990 392 D CA 1.671 55.678 54.000 0.012 0.000 0.839 392 D CB -0.491 40.315 40.800 0.010 0.000 0.948 392 D HN 0.497 nan 8.370 nan 0.000 0.460 393 D N 0.042 120.449 120.400 0.012 0.000 2.264 393 D HA -0.100 2.097 4.640 -4.072 0.000 0.208 393 D C 2.054 178.362 176.300 0.015 0.000 0.966 393 D CA 0.359 54.366 54.000 0.013 0.000 0.864 393 D CB 0.058 40.864 40.800 0.011 0.000 0.933 393 D HN 0.200 nan 8.370 nan 0.000 0.499 394 L N 1.091 122.323 121.223 0.015 0.000 2.022 394 L HA -0.072 1.825 4.340 -4.072 0.000 0.204 394 L C 2.217 179.099 176.870 0.021 0.000 1.076 394 L CA 1.021 55.872 54.840 0.017 0.000 0.749 394 L CB -0.530 41.539 42.059 0.016 0.000 0.903 394 L HN -0.161 nan 8.230 nan 0.000 0.439 395 I N 0.763 121.345 120.570 0.021 0.000 2.147 395 I HA -0.408 1.319 4.170 -4.072 0.000 0.245 395 I C 2.664 178.795 176.117 0.024 0.000 1.059 395 I CA 1.907 63.221 61.300 0.023 0.000 1.320 395 I CB -1.767 36.246 38.000 0.021 0.000 1.021 395 I HN 0.476 nan 8.210 nan 0.000 0.415 396 A N 0.945 123.777 122.820 0.021 0.000 1.933 396 A HA -0.087 1.790 4.320 -4.072 0.000 0.218 396 A C 2.521 180.119 177.584 0.023 0.000 1.175 396 A CA 1.861 53.910 52.037 0.021 0.000 0.628 396 A CB -1.303 17.708 19.000 0.018 0.000 0.814 396 A HN 0.476 nan 8.150 nan 0.000 0.444 397 G N -0.064 108.749 108.800 0.023 0.000 2.440 397 G HA2 -0.159 1.358 3.960 -4.072 0.000 0.218 397 G HA3 -0.159 1.358 3.960 -4.072 0.000 0.218 397 G C 1.521 176.439 174.900 0.030 0.000 1.154 397 G CA 1.157 46.272 45.100 0.024 0.000 0.767 397 G HN 0.463 nan 8.290 nan 0.000 0.552 398 L N -0.059 121.184 121.223 0.032 0.000 2.131 398 L HA 0.056 1.953 4.340 -4.072 0.000 0.206 398 L C 2.444 179.338 176.870 0.039 0.000 1.087 398 L CA 0.853 55.717 54.840 0.039 0.000 0.767 398 L CB -0.367 41.717 42.059 0.041 0.000 0.917 398 L HN 0.048 nan 8.230 nan 0.000 0.441 399 D N 0.662 121.083 120.400 0.035 0.000 2.123 399 D HA -0.188 2.009 4.640 -4.072 0.000 0.196 399 D C 2.221 178.542 176.300 0.034 0.000 0.992 399 D CA 1.571 55.591 54.000 0.035 0.000 0.833 399 D CB 0.201 41.019 40.800 0.031 0.000 0.954 399 D HN 0.303 nan 8.370 nan 0.000 0.455 400 A N 0.824 123.662 122.820 0.031 0.000 1.986 400 A HA -0.162 1.715 4.320 -4.072 0.000 0.220 400 A C 2.254 179.858 177.584 0.033 0.000 1.171 400 A CA 1.026 53.081 52.037 0.029 0.000 0.640 400 A CB -0.637 18.379 19.000 0.026 0.000 0.811 400 A HN 0.302 nan 8.150 nan 0.000 0.451 401 L N -1.235 120.010 121.223 0.037 0.000 2.591 401 L HA 0.220 2.117 4.340 -4.072 0.000 0.228 401 L C 1.347 178.244 176.870 0.045 0.000 1.133 401 L CA 0.365 55.230 54.840 0.042 0.000 0.880 401 L CB -0.652 41.435 42.059 0.047 0.000 1.033 401 L HN 0.573 nan 8.230 nan 0.000 0.450 402 G N 1.656 110.482 108.800 0.044 0.000 2.326 402 G HA2 -0.258 1.259 3.960 -4.072 0.000 0.286 402 G HA3 -0.258 1.259 3.960 -4.072 0.000 0.286 402 G C -0.205 174.726 174.900 0.051 0.000 1.096 402 G CA -0.219 44.908 45.100 0.046 0.000 1.003 402 G HN 0.268 nan 8.290 nan 0.000 0.503 403 L N 0.461 121.715 121.223 0.051 0.000 2.433 403 L HA 0.335 2.232 4.340 -4.072 0.000 0.256 403 L C 0.450 177.352 176.870 0.053 0.000 1.063 403 L CA -0.539 54.335 54.840 0.057 0.000 0.922 403 L CB 1.272 43.368 42.059 0.062 0.000 1.238 403 L HN 0.303 nan 8.230 nan 0.000 0.466 404 Q N 0.465 120.297 119.800 0.052 0.000 2.288 404 Q HA 0.116 2.013 4.340 -4.072 0.000 0.258 404 Q C 1.078 177.106 176.000 0.046 0.000 0.957 404 Q CA -0.162 55.669 55.803 0.048 0.000 0.919 404 Q CB 1.697 30.465 28.738 0.050 0.000 1.185 404 Q HN 0.649 nan 8.270 nan 0.000 0.408 405 S N 2.671 118.395 115.700 0.040 0.000 2.503 405 S HA 0.106 2.133 4.470 -4.072 0.000 0.217 405 S C 0.797 175.415 174.600 0.031 0.000 0.999 405 S CA -0.042 58.180 58.200 0.037 0.000 0.914 405 S CB 0.499 63.719 63.200 0.034 0.000 0.782 405 S HN 0.457 nan 8.310 nan 0.000 0.520 406 R N 2.310 122.828 120.500 0.031 0.000 3.220 406 R HA 0.399 2.296 4.340 -4.072 0.000 0.324 406 R C -2.810 173.510 176.300 0.033 0.000 1.283 406 R CA -1.478 54.639 56.100 0.027 0.000 1.387 406 R CB 0.534 30.848 30.300 0.024 0.000 1.413 406 R HN 0.421 nan 8.270 nan 0.000 0.610 407 P HA 0.050 nan 4.420 nan 0.000 0.274 407 P C 0.068 177.401 177.300 0.054 0.000 1.256 407 P CA -0.216 62.913 63.100 0.049 0.000 0.795 407 P CB 0.582 32.310 31.700 0.047 0.000 1.038 408 S N -1.298 114.451 115.700 0.082 0.000 2.603 408 S HA 0.091 2.118 4.470 -4.072 0.000 0.268 408 S C 1.244 175.876 174.600 0.052 0.000 1.317 408 S CA -0.219 58.037 58.200 0.093 0.000 1.012 408 S CB -0.138 63.171 63.200 0.181 0.000 0.926 408 S HN 0.450 nan 8.310 nan 0.000 0.539 409 H N 0.865 119.794 119.070 -0.234 0.000 2.294 409 H HA -0.270 1.838 4.556 -4.079 0.000 0.282 409 H C 1.439 176.522 175.328 -0.408 0.000 1.128 409 H CA 2.936 58.707 56.048 -0.462 0.000 1.161 409 H CB -0.157 29.085 29.762 -0.868 0.000 1.354 409 H HN 0.802 nan 8.280 nan 0.000 0.474 410 W N 0.239 121.609 121.300 0.117 0.000 2.413 410 W HA -0.032 2.174 4.660 -4.091 0.000 0.315 410 W C 2.888 179.424 176.519 0.027 0.000 1.186 410 W CA 0.389 57.765 57.345 0.051 0.000 1.326 410 W CB -0.489 29.001 29.460 0.050 0.000 1.153 410 W HN 0.051 nan 8.180 nan 0.000 0.489 411 R N 1.262 121.927 120.500 0.275 0.000 2.139 411 R HA -0.213 1.684 4.340 -4.072 0.000 0.243 411 R C 2.313 178.670 176.300 0.094 0.000 1.145 411 R CA 1.898 58.094 56.100 0.160 0.000 0.976 411 R CB -0.354 30.026 30.300 0.133 0.000 0.866 411 R HN 0.181 nan 8.270 nan 0.000 0.449 412 R N -0.109 120.421 120.500 0.051 0.000 2.093 412 R HA -0.003 1.893 4.340 -4.072 0.000 0.224 412 R C 0.054 176.333 176.300 -0.036 0.000 1.101 412 R CA 1.252 57.349 56.100 -0.006 0.000 0.979 412 R CB 0.214 30.481 30.300 -0.055 0.000 0.877 412 R HN 0.224 nan 8.270 nan 0.000 0.441 413 N N 0.977 119.648 118.700 -0.049 0.000 2.635 413 N HA 0.124 2.421 4.740 -4.072 0.000 0.307 413 N C -1.130 174.391 175.510 0.018 0.000 1.433 413 N CA -0.071 52.936 53.050 -0.072 0.000 0.973 413 N CB 1.100 39.487 38.487 -0.167 0.000 1.304 413 N HN 0.166 nan 8.380 nan 0.000 0.507 414 L N 0.150 121.412 121.223 0.065 0.000 2.385 414 L HA 0.588 2.484 4.340 -4.072 0.000 0.273 414 L C -1.074 175.849 176.870 0.088 0.000 0.990 414 L CA -0.473 54.425 54.840 0.097 0.000 0.821 414 L CB 1.635 43.773 42.059 0.131 0.000 1.279 414 L HN -0.082 nan 8.230 nan 0.000 0.412 415 M N 4.520 124.175 119.600 0.093 0.000 2.528 415 M HA 0.820 2.857 4.480 -4.072 0.000 0.321 415 M C -0.653 175.690 176.300 0.071 0.000 1.153 415 M CA -0.678 54.673 55.300 0.085 0.000 0.951 415 M CB 2.103 34.762 32.600 0.099 0.000 1.705 415 M HN 0.708 nan 8.290 nan 0.000 0.451 416 A N 0.999 123.850 122.820 0.052 0.000 2.498 416 A HA 0.767 2.644 4.320 -4.072 0.000 0.298 416 A C -0.277 177.329 177.584 0.037 0.000 1.075 416 A CA -0.825 51.240 52.037 0.047 0.000 0.714 416 A CB 0.855 19.872 19.000 0.029 0.000 1.299 416 A HN 1.133 nan 8.150 nan 0.000 0.407 417 C N -0.251 119.074 119.300 0.041 0.000 2.749 417 C HA 0.606 2.623 4.460 -4.072 0.000 0.296 417 C C 1.843 176.849 174.990 0.026 0.000 2.037 417 C CA 0.488 59.523 59.018 0.027 0.000 1.942 417 C CB -0.163 27.593 27.740 0.026 0.000 1.929 417 C HN 0.787 nan 8.230 nan 0.000 0.552 418 S N -0.032 115.684 115.700 0.026 0.000 2.388 418 S HA 0.387 2.414 4.470 -4.072 0.000 0.223 418 S C 1.330 175.921 174.600 -0.014 0.000 1.034 418 S CA 1.128 59.348 58.200 0.033 0.000 0.963 418 S CB -1.111 62.139 63.200 0.084 0.000 0.827 418 S HN 1.895 nan 8.310 nan 0.000 0.481 419 G N 1.352 110.149 108.800 -0.006 0.000 2.692 419 G HA2 -0.294 1.223 3.960 -4.072 0.000 0.248 419 G HA3 -0.294 1.223 3.960 -4.072 0.000 0.248 419 G C 0.485 175.347 174.900 -0.063 0.000 1.340 419 G CA -0.007 45.082 45.100 -0.017 0.000 0.896 419 G HN 0.410 nan 8.290 nan 0.000 0.570 420 I N 0.669 121.201 120.570 -0.063 0.000 3.010 420 I HA -0.078 1.649 4.170 -4.072 0.000 0.271 420 I C 2.385 178.421 176.117 -0.136 0.000 1.293 420 I CA 1.999 63.254 61.300 -0.075 0.000 1.452 420 I CB -0.176 37.802 38.000 -0.036 0.000 1.082 420 I HN 0.725 nan 8.210 nan 0.000 0.484 421 E N 0.405 120.464 120.200 -0.236 0.000 2.051 421 E HA -0.222 1.685 4.350 -4.072 0.000 0.192 421 E C 1.189 177.417 176.600 -0.619 0.000 0.991 421 E CA 1.586 57.696 56.400 -0.484 0.000 0.799 421 E CB 0.118 29.415 29.700 -0.672 0.000 0.748 421 E HN 0.510 nan 8.360 nan 0.000 0.449 422 F N -1.283 118.526 119.950 -0.235 0.000 2.876 422 F HA 0.208 2.292 4.527 -4.072 0.000 0.344 422 F C 0.605 176.308 175.800 -0.161 0.000 1.029 422 F CA -0.689 57.123 58.000 -0.313 0.000 1.154 422 F CB 0.201 38.804 39.000 -0.661 0.000 1.040 422 F HN -0.032 nan 8.300 nan 0.000 0.576 423 C N 3.078 122.403 119.300 0.042 0.000 2.347 423 C HA 0.276 2.292 4.460 -4.072 0.000 0.353 423 C C 1.513 176.485 174.990 -0.030 0.000 1.273 423 C CA -0.450 58.575 59.018 0.012 0.000 1.861 423 C CB -0.180 27.549 27.740 -0.018 0.000 2.420 423 C HN 0.453 nan 8.230 nan 0.000 0.542 424 K N 4.336 124.723 120.400 -0.022 0.000 2.525 424 K HA 0.057 1.934 4.320 -4.072 0.000 0.192 424 K C 0.873 177.420 176.600 -0.088 0.000 1.029 424 K CA 0.833 57.092 56.287 -0.046 0.000 1.029 424 K CB 0.166 32.654 32.500 -0.021 0.000 0.814 424 K HN 0.712 nan 8.250 nan 0.000 0.503 425 L N 0.890 122.041 121.223 -0.120 0.000 2.693 425 L HA 0.082 1.979 4.340 -4.072 0.000 0.235 425 L C 0.777 177.397 176.870 -0.417 0.000 1.127 425 L CA -0.263 54.456 54.840 -0.201 0.000 0.914 425 L CB 0.567 42.557 42.059 -0.114 0.000 1.193 425 L HN 0.049 nan 8.230 nan 0.000 0.502 426 S N -1.303 114.191 115.700 -0.344 0.000 2.617 426 S HA 0.378 2.405 4.470 -4.072 0.000 0.283 426 S C 0.257 174.595 174.600 -0.437 0.000 1.189 426 S CA -0.471 57.504 58.200 -0.376 0.000 1.036 426 S CB 1.101 64.219 63.200 -0.137 0.000 1.014 426 S HN 0.104 nan 8.310 nan 0.000 0.522 427 F N 1.058 120.991 119.950 -0.028 0.000 2.731 427 F HA 0.579 2.663 4.527 -4.072 0.000 0.298 427 F C 1.175 176.912 175.800 -0.105 0.000 1.106 427 F CA 0.277 58.242 58.000 -0.058 0.000 1.329 427 F CB 0.064 39.013 39.000 -0.084 0.000 1.100 427 F HN 0.840 nan 8.300 nan 0.000 0.592 428 A N -0.266 122.570 122.820 0.026 0.000 2.569 428 A HA 0.634 2.511 4.320 -4.072 0.000 0.290 428 A C -1.167 176.430 177.584 0.023 0.000 1.136 428 A CA -0.679 51.329 52.037 -0.048 0.000 0.710 428 A CB 0.984 19.797 19.000 -0.312 0.000 1.303 428 A HN -0.011 nan 8.150 nan 0.000 0.413 429 E N -0.014 120.217 120.200 0.052 0.000 2.259 429 E HA 0.506 2.413 4.350 -4.072 0.000 0.281 429 E C 0.710 177.379 176.600 0.115 0.000 1.027 429 E CA 0.514 56.941 56.400 0.045 0.000 0.838 429 E CB 0.963 30.673 29.700 0.016 0.000 1.066 429 E HN 0.707 nan 8.360 nan 0.000 0.401 430 T N 1.680 116.268 114.554 0.056 0.000 3.174 430 T HA 0.113 2.020 4.350 -4.072 0.000 0.252 430 T C 1.724 176.419 174.700 -0.009 0.000 0.984 430 T CA 0.254 62.391 62.100 0.062 0.000 1.113 430 T CB -0.308 68.609 68.868 0.083 0.000 1.088 430 T HN 0.360 nan 8.240 nan 0.000 0.442 431 R N 1.230 121.709 120.500 -0.036 0.000 2.057 431 R HA 0.103 2.000 4.340 -4.072 0.000 0.229 431 R C 2.285 178.528 176.300 -0.096 0.000 1.136 431 R CA 1.526 57.595 56.100 -0.051 0.000 0.952 431 R CB -0.886 29.390 30.300 -0.040 0.000 0.848 431 R HN 0.292 nan 8.270 nan 0.000 0.430 432 V N 1.241 121.077 119.914 -0.130 0.000 2.295 432 V HA -0.218 1.459 4.120 -4.072 0.000 0.246 432 V C 2.435 178.372 176.094 -0.262 0.000 1.049 432 V CA 2.036 64.217 62.300 -0.198 0.000 1.024 432 V CB -0.730 30.996 31.823 -0.163 0.000 0.648 432 V HN 0.293 nan 8.190 nan 0.000 0.447 433 R N 1.156 121.573 120.500 -0.138 0.000 2.140 433 R HA -0.229 1.668 4.340 -4.072 0.000 0.250 433 R C 2.134 178.363 176.300 -0.118 0.000 1.150 433 R CA 2.127 58.175 56.100 -0.088 0.000 0.966 433 R CB -1.188 29.094 30.300 -0.029 0.000 0.869 433 R HN 0.527 nan 8.270 nan 0.000 0.445 434 A N -0.230 122.522 122.820 -0.113 0.000 2.015 434 A HA -0.112 1.765 4.320 -4.072 0.000 0.219 434 A C 1.800 179.330 177.584 -0.089 0.000 1.163 434 A CA 1.177 53.166 52.037 -0.080 0.000 0.646 434 A CB -0.295 18.680 19.000 -0.043 0.000 0.806 434 A HN 0.332 nan 8.150 nan 0.000 0.448 435 Q N -0.385 119.304 119.800 -0.185 0.000 2.291 435 Q HA -0.134 1.763 4.340 -4.072 0.000 0.205 435 Q C 1.309 177.258 176.000 -0.085 0.000 0.970 435 Q CA 1.809 57.508 55.803 -0.174 0.000 0.876 435 Q CB -0.532 28.047 28.738 -0.265 0.000 0.935 435 Q HN 0.946 nan 8.270 nan 0.000 0.455 436 H N -1.174 117.886 119.070 -0.018 0.000 2.506 436 H HA 0.099 2.211 4.556 -4.073 0.000 0.289 436 H C 1.814 177.114 175.328 -0.046 0.000 1.009 436 H CA -0.123 55.908 56.048 -0.027 0.000 1.303 436 H CB 0.363 30.108 29.762 -0.029 0.000 1.453 436 H HN 0.031 nan 8.280 nan 0.000 0.526 437 L N 1.069 122.317 121.223 0.042 0.000 2.079 437 L HA -0.143 1.754 4.340 -4.072 0.000 0.210 437 L C 1.973 178.807 176.870 -0.060 0.000 1.081 437 L CA 1.117 55.935 54.840 -0.037 0.000 0.752 437 L CB -0.413 41.594 42.059 -0.087 0.000 0.896 437 L HN 0.064 nan 8.230 nan 0.000 0.433 438 V N 0.516 120.420 119.914 -0.017 0.000 2.233 438 V HA -0.223 1.454 4.120 -4.072 0.000 0.247 438 V C -0.011 176.080 176.094 -0.006 0.000 1.050 438 V CA 2.486 64.789 62.300 0.005 0.000 1.010 438 V CB -1.720 30.142 31.823 0.066 0.000 0.637 438 V HN 0.382 nan 8.190 nan 0.000 0.444 439 P HA -0.190 nan 4.420 nan 0.000 0.215 439 P C 1.657 178.939 177.300 -0.030 0.000 1.153 439 P CA 1.702 64.812 63.100 0.015 0.000 0.853 439 P CB -0.015 31.706 31.700 0.035 0.000 0.788 440 E N -0.028 120.142 120.200 -0.050 0.000 2.070 440 E HA -0.202 1.705 4.350 -4.072 0.000 0.197 440 E C 1.843 178.348 176.600 -0.159 0.000 1.004 440 E CA 1.234 57.582 56.400 -0.086 0.000 0.805 440 E CB -0.668 28.984 29.700 -0.079 0.000 0.744 440 E HN 0.148 nan 8.360 nan 0.000 0.451 441 L N 0.423 121.485 121.223 -0.269 0.000 2.109 441 L HA -0.126 1.771 4.340 -4.072 0.000 0.207 441 L C 2.552 179.160 176.870 -0.437 0.000 1.086 441 L CA 1.248 55.761 54.840 -0.545 0.000 0.760 441 L CB -0.338 41.123 42.059 -0.996 0.000 0.910 441 L HN 0.174 nan 8.230 nan 0.000 0.437 442 E N 0.334 120.424 120.200 -0.183 0.000 2.058 442 E HA -0.261 1.645 4.350 -4.072 0.000 0.194 442 E C 2.188 178.816 176.600 0.047 0.000 0.997 442 E CA 1.591 58.032 56.400 0.069 0.000 0.801 442 E CB -0.053 29.718 29.700 0.119 0.000 0.746 442 E HN 0.497 nan 8.360 nan 0.000 0.450 443 R N 0.220 120.716 120.500 -0.007 0.000 2.246 443 R HA 0.104 2.001 4.340 -4.072 0.000 0.199 443 R C 2.063 178.354 176.300 -0.016 0.000 0.984 443 R CA 0.438 56.537 56.100 -0.001 0.000 1.015 443 R CB 0.094 30.390 30.300 -0.006 0.000 0.930 443 R HN -0.077 nan 8.270 nan 0.000 0.475 444 R N 0.440 120.909 120.500 -0.052 0.000 2.246 444 R HA 0.186 2.083 4.340 -4.072 0.000 0.199 444 R C 0.760 177.042 176.300 -0.029 0.000 0.984 444 R CA 0.624 56.690 56.100 -0.057 0.000 1.015 444 R CB 0.320 30.558 30.300 -0.104 0.000 0.930 444 R HN 0.309 nan 8.270 nan 0.000 0.475 445 L N -0.494 120.731 121.223 0.004 0.000 3.360 445 L HA 0.127 2.024 4.340 -4.072 0.000 0.303 445 L C 1.632 178.595 176.870 0.155 0.000 1.218 445 L CA -0.070 54.824 54.840 0.090 0.000 1.059 445 L CB 0.574 42.709 42.059 0.126 0.000 1.468 445 L HN 0.020 nan 8.230 nan 0.000 0.614 446 E N 1.529 121.799 120.200 0.117 0.000 2.267 446 E HA -0.314 1.593 4.350 -4.072 0.000 0.197 446 E C 1.303 177.931 176.600 0.046 0.000 0.998 446 E CA 1.664 58.116 56.400 0.087 0.000 0.830 446 E CB 0.075 29.813 29.700 0.064 0.000 0.751 446 E HN 0.590 nan 8.360 nan 0.000 0.491 447 D N 0.671 121.096 120.400 0.041 0.000 2.149 447 D HA -0.222 1.975 4.640 -4.072 0.000 0.194 447 D C 1.715 178.026 176.300 0.018 0.000 1.001 447 D CA 1.347 55.361 54.000 0.023 0.000 0.849 447 D CB -0.087 40.725 40.800 0.020 0.000 0.939 447 D HN 0.373 nan 8.370 nan 0.000 0.449 448 I N 0.286 120.877 120.570 0.036 0.000 4.082 448 I HA 0.035 1.762 4.170 -4.072 0.000 0.337 448 I C 1.373 177.488 176.117 -0.003 0.000 1.352 448 I CA -0.117 61.196 61.300 0.021 0.000 1.097 448 I CB 0.042 38.074 38.000 0.052 0.000 1.048 448 I HN -0.133 nan 8.210 nan 0.000 0.393 449 N N 0.742 119.435 118.700 -0.013 0.000 2.104 449 N HA -0.227 2.070 4.740 -4.072 0.000 0.190 449 N C 2.101 177.514 175.510 -0.162 0.000 1.024 449 N CA 2.093 55.083 53.050 -0.101 0.000 0.853 449 N CB -0.074 38.368 38.487 -0.075 0.000 1.008 449 N HN 0.455 nan 8.380 nan 0.000 0.424 450 S N -0.455 115.187 115.700 -0.096 0.000 2.382 450 S HA -0.142 1.884 4.470 -4.072 0.000 0.228 450 S C 1.875 176.430 174.600 -0.076 0.000 1.027 450 S CA 0.898 59.047 58.200 -0.085 0.000 0.991 450 S CB -0.537 62.630 63.200 -0.054 0.000 0.823 450 S HN 0.410 nan 8.310 nan 0.000 0.469 451 Q N 0.389 120.149 119.800 -0.067 0.000 2.291 451 Q HA 0.189 2.086 4.340 -4.072 0.000 0.205 451 Q C 0.103 176.071 176.000 -0.053 0.000 0.970 451 Q CA 0.526 56.291 55.803 -0.064 0.000 0.876 451 Q CB -0.300 28.396 28.738 -0.070 0.000 0.935 451 Q HN 0.559 nan 8.270 nan 0.000 0.455 452 L N 2.440 123.632 121.223 -0.050 0.000 2.401 452 L HA 0.028 1.924 4.340 -4.072 0.000 0.283 452 L C 0.065 176.956 176.870 0.036 0.000 1.151 452 L CA -0.530 54.322 54.840 0.020 0.000 0.942 452 L CB 0.406 42.462 42.059 -0.005 0.000 1.283 452 L HN 0.216 nan 8.230 nan 0.000 0.442 453 D N 1.028 121.469 120.400 0.068 0.000 2.349 453 D HA 0.007 2.204 4.640 -4.072 0.000 0.224 453 D C 0.351 176.719 176.300 0.114 0.000 1.029 453 D CA 0.214 54.256 54.000 0.070 0.000 0.879 453 D CB 0.442 41.264 40.800 0.037 0.000 0.906 453 D HN 0.170 nan 8.370 nan 0.000 0.528 454 V N 0.441 120.462 119.914 0.177 0.000 2.841 454 V HA 0.436 2.112 4.120 -4.072 0.000 0.310 454 V C -2.604 173.515 176.094 0.042 0.000 1.090 454 V CA -2.405 59.967 62.300 0.119 0.000 0.930 454 V CB 2.529 34.451 31.823 0.165 0.000 1.014 454 V HN -0.098 nan 8.190 nan 0.000 0.425 455 P HA 0.358 nan 4.420 nan 0.000 0.274 455 P C -1.062 176.050 177.300 -0.314 0.000 1.231 455 P CA -0.145 62.645 63.100 -0.518 0.000 0.790 455 P CB 1.207 32.626 31.700 -0.469 0.000 0.951 456 I N 1.731 122.066 120.570 -0.390 0.000 2.406 456 I HA 0.240 1.967 4.170 -4.072 0.000 0.290 456 I C 0.491 176.459 176.117 -0.249 0.000 0.999 456 I CA -0.045 61.039 61.300 -0.361 0.000 1.124 456 I CB 1.586 39.355 38.000 -0.385 0.000 1.289 456 I HN 0.317 nan 8.210 nan 0.000 0.441 457 T N 4.042 118.481 114.554 -0.192 0.000 2.799 457 T HA 0.747 2.654 4.350 -4.072 0.000 0.286 457 T C -0.448 174.239 174.700 -0.022 0.000 0.973 457 T CA -0.681 61.365 62.100 -0.090 0.000 1.035 457 T CB 1.174 69.998 68.868 -0.075 0.000 0.932 457 T HN 0.192 nan 8.240 nan 0.000 0.469 458 V N 3.880 123.831 119.914 0.062 0.000 2.443 458 V HA 0.469 2.145 4.120 -4.072 0.000 0.293 458 V C -0.860 175.316 176.094 0.137 0.000 1.021 458 V CA -0.989 61.389 62.300 0.129 0.000 0.848 458 V CB 1.499 33.464 31.823 0.236 0.000 0.998 458 V HN 0.883 nan 8.190 nan 0.000 0.424 459 N N 4.850 123.630 118.700 0.133 0.000 2.443 459 N HA 0.571 2.867 4.740 -4.072 0.000 0.269 459 N C -0.792 174.832 175.510 0.189 0.000 0.985 459 N CA -0.307 52.820 53.050 0.128 0.000 0.921 459 N CB 2.293 40.829 38.487 0.083 0.000 1.195 459 N HN 0.565 nan 8.380 nan 0.000 0.492 460 I N 2.080 122.742 120.570 0.154 0.000 2.307 460 I HA 0.224 1.951 4.170 -4.072 0.000 0.289 460 I C 0.018 176.227 176.117 0.153 0.000 1.021 460 I CA -0.377 61.001 61.300 0.130 0.000 1.224 460 I CB 0.468 38.455 38.000 -0.021 0.000 1.376 460 I HN 0.184 nan 8.210 nan 0.000 0.470 461 N N 4.239 123.079 118.700 0.234 0.000 2.362 461 N HA 0.243 2.540 4.740 -4.072 0.000 0.298 461 N C 0.885 176.558 175.510 0.271 0.000 1.048 461 N CA -0.252 52.919 53.050 0.201 0.000 0.858 461 N CB 2.514 41.086 38.487 0.143 0.000 1.218 461 N HN 0.721 nan 8.380 nan 0.000 0.488 462 G N 0.725 109.627 108.800 0.171 0.000 2.402 462 G HA2 -0.101 1.416 3.960 -4.072 0.000 0.216 462 G HA3 -0.101 1.416 3.960 -4.072 0.000 0.216 462 G C 0.726 175.718 174.900 0.153 0.000 1.162 462 G CA 0.889 46.072 45.100 0.139 0.000 0.777 462 G HN 0.716 nan 8.290 nan 0.000 0.539 463 C N -3.577 115.813 119.300 0.150 0.000 3.321 463 C HA 0.707 2.724 4.460 -4.072 0.000 0.363 463 C C -1.743 173.361 174.990 0.189 0.000 1.705 463 C CA -0.897 58.276 59.018 0.258 0.000 1.298 463 C CB 1.477 29.289 27.740 0.120 0.000 2.086 463 C HN 0.101 nan 8.230 nan 0.000 0.438 464 P HA -0.085 nan 4.420 nan 0.000 0.225 464 P C 0.916 178.246 177.300 0.050 0.000 1.148 464 P CA 1.441 64.608 63.100 0.112 0.000 0.779 464 P CB -0.197 31.579 31.700 0.126 0.000 0.780 465 N N 0.247 118.978 118.700 0.052 0.000 2.272 465 N HA -0.118 2.179 4.740 -4.072 0.000 0.185 465 N C 0.817 176.317 175.510 -0.017 0.000 1.014 465 N CA 1.163 54.223 53.050 0.016 0.000 0.870 465 N CB -0.736 37.758 38.487 0.011 0.000 0.975 465 N HN 0.070 nan 8.380 nan 0.000 0.433 466 S N -1.638 114.052 115.700 -0.016 0.000 3.787 466 S HA -0.171 1.855 4.470 -4.072 0.000 0.321 466 S C 1.237 175.813 174.600 -0.040 0.000 1.119 466 S CA 0.275 58.448 58.200 -0.045 0.000 0.918 466 S CB -1.852 61.290 63.200 -0.098 0.000 0.913 466 S HN 0.504 nan 8.310 nan 0.000 0.506 467 C N 0.429 119.715 119.300 -0.023 0.000 2.422 467 C HA 0.149 2.166 4.460 -4.072 0.000 0.279 467 C C 2.361 177.334 174.990 -0.027 0.000 1.305 467 C CA 1.061 60.060 59.018 -0.032 0.000 1.757 467 C CB -1.310 26.412 27.740 -0.030 0.000 1.962 467 C HN 0.968 nan 8.230 nan 0.000 0.499 468 A N -0.774 122.043 122.820 -0.004 0.000 2.610 468 A HA 0.524 2.401 4.320 -4.072 0.000 0.286 468 A C 0.542 178.133 177.584 0.013 0.000 1.306 468 A CA -0.290 51.754 52.037 0.012 0.000 0.942 468 A CB -0.271 18.752 19.000 0.039 0.000 1.112 468 A HN 0.518 nan 8.150 nan 0.000 0.527 469 R N -0.793 119.697 120.500 -0.018 0.000 3.076 469 R HA -0.165 1.732 4.340 -4.072 0.000 0.261 469 R C 0.545 176.827 176.300 -0.030 0.000 0.930 469 R CA 0.578 56.662 56.100 -0.027 0.000 0.649 469 R CB -2.529 27.772 30.300 0.003 0.000 1.350 469 R HN 0.655 nan 8.270 nan 0.000 0.453 470 I N 0.207 120.728 120.570 -0.081 0.000 2.208 470 I HA -0.362 1.365 4.170 -4.072 0.000 0.245 470 I C 1.995 178.004 176.117 -0.180 0.000 1.097 470 I CA 1.665 62.880 61.300 -0.142 0.000 1.363 470 I CB -0.113 37.734 38.000 -0.254 0.000 1.051 470 I HN 0.460 nan 8.210 nan 0.000 0.413 471 Q N 0.371 120.060 119.800 -0.186 0.000 2.389 471 Q HA 0.058 1.955 4.340 -4.072 0.000 0.204 471 Q C 1.173 177.246 176.000 0.121 0.000 0.944 471 Q CA 0.732 56.478 55.803 -0.095 0.000 0.908 471 Q CB 0.102 28.686 28.738 -0.257 0.000 1.002 471 Q HN 0.736 nan 8.270 nan 0.000 0.493 472 I N -3.628 116.999 120.570 0.095 0.000 3.531 472 I HA 0.638 2.364 4.170 -4.072 0.000 0.341 472 I C -0.239 175.934 176.117 0.094 0.000 1.550 472 I CA -0.880 60.494 61.300 0.124 0.000 1.087 472 I CB 0.619 38.688 38.000 0.116 0.000 1.408 472 I HN -0.190 nan 8.210 nan 0.000 0.484 473 A N 0.295 123.163 122.820 0.081 0.000 2.374 473 A HA 0.490 2.367 4.320 -4.072 0.000 0.317 473 A C 0.503 178.133 177.584 0.077 0.000 1.094 473 A CA -0.507 51.565 52.037 0.059 0.000 0.765 473 A CB 1.116 20.135 19.000 0.032 0.000 1.268 473 A HN 0.263 nan 8.150 nan 0.000 0.438 474 D N 0.534 120.964 120.400 0.049 0.000 2.127 474 D HA -0.154 2.043 4.640 -4.072 0.000 0.190 474 D C 0.263 176.601 176.300 0.063 0.000 1.000 474 D CA 2.091 56.133 54.000 0.070 0.000 0.839 474 D CB -0.024 40.609 40.800 -0.278 0.000 0.955 474 D HN 0.562 nan 8.370 nan 0.000 0.446 475 I N 0.372 120.895 120.570 -0.078 0.000 2.382 475 I HA 0.364 2.091 4.170 -4.072 0.000 0.285 475 I C 0.453 176.452 176.117 -0.196 0.000 1.007 475 I CA -0.565 60.670 61.300 -0.109 0.000 1.142 475 I CB 2.147 40.094 38.000 -0.090 0.000 1.289 475 I HN -0.196 nan 8.210 nan 0.000 0.453 476 G N 5.659 114.321 108.800 -0.230 0.000 2.416 476 G HA2 0.692 2.209 3.960 -4.072 0.000 0.324 476 G HA3 0.692 2.209 3.960 -4.072 0.000 0.324 476 G C -1.173 173.530 174.900 -0.329 0.000 1.194 476 G CA -0.298 44.697 45.100 -0.177 0.000 0.922 476 G HN 0.299 nan 8.290 nan 0.000 0.467 477 F N 1.271 121.262 119.950 0.070 0.000 2.402 477 F HA 0.427 2.512 4.527 -4.070 0.000 0.355 477 F C 0.610 176.539 175.800 0.216 0.000 1.123 477 F CA -0.839 57.224 58.000 0.106 0.000 1.021 477 F CB 2.470 41.386 39.000 -0.140 0.000 1.160 477 F HN 0.229 nan 8.300 nan 0.000 0.451 478 K N 2.960 123.621 120.400 0.435 0.000 2.299 478 K HA 0.406 2.283 4.320 -4.072 0.000 0.268 478 K C 0.283 177.091 176.600 0.346 0.000 1.075 478 K CA -0.427 56.051 56.287 0.318 0.000 0.936 478 K CB 0.794 33.425 32.500 0.218 0.000 1.228 478 K HN 0.854 nan 8.250 nan 0.000 0.454 479 G N 4.942 113.937 108.800 0.326 0.000 2.305 479 G HA2 -0.095 1.422 3.960 -4.072 0.000 0.281 479 G HA3 -0.095 1.422 3.960 -4.072 0.000 0.281 479 G C -0.160 174.755 174.900 0.025 0.000 1.085 479 G CA -0.024 45.089 45.100 0.022 0.000 1.211 479 G HN 0.748 nan 8.290 nan 0.000 0.421 480 Q N 2.556 122.251 119.800 -0.175 0.000 2.351 480 Q HA 0.573 2.470 4.340 -4.072 0.000 0.273 480 Q C -0.233 175.552 176.000 -0.358 0.000 1.077 480 Q CA -1.303 54.288 55.803 -0.353 0.000 0.843 480 Q CB 1.492 30.085 28.738 -0.241 0.000 1.367 480 Q HN 0.240 nan 8.270 nan 0.000 0.449 481 M N 2.799 122.118 119.600 -0.469 0.000 2.228 481 M HA 0.323 2.360 4.480 -4.072 0.000 0.351 481 M C -0.064 176.124 176.300 -0.186 0.000 1.233 481 M CA -0.021 55.117 55.300 -0.271 0.000 1.129 481 M CB -0.015 32.434 32.600 -0.252 0.000 1.604 481 M HN 0.750 nan 8.290 nan 0.000 0.457 482 I N -0.877 119.616 120.570 -0.129 0.000 2.892 482 I HA 0.627 2.354 4.170 -4.072 0.000 0.306 482 I C -0.903 175.178 176.117 -0.059 0.000 1.078 482 I CA -1.002 60.245 61.300 -0.089 0.000 1.032 482 I CB 2.367 40.319 38.000 -0.079 0.000 1.229 482 I HN 0.340 nan 8.210 nan 0.000 0.435 483 D N 1.877 122.256 120.400 -0.035 0.000 2.168 483 D HA 0.351 2.548 4.640 -4.072 0.000 0.246 483 D C -1.005 175.295 176.300 0.001 0.000 1.050 483 D CA 0.123 54.119 54.000 -0.007 0.000 0.857 483 D CB 1.716 42.540 40.800 0.039 0.000 1.169 483 D HN 0.572 nan 8.370 nan 0.000 0.453 484 D N 1.538 121.940 120.400 0.004 0.000 3.008 484 D HA 0.399 2.596 4.640 -4.072 0.000 0.312 484 D C 0.330 176.640 176.300 0.017 0.000 1.361 484 D CA -0.077 53.925 54.000 0.004 0.000 0.858 484 D CB 0.165 40.961 40.800 -0.007 0.000 1.098 484 D HN 0.577 nan 8.370 nan 0.000 0.482 485 G N 1.367 110.190 108.800 0.039 0.000 2.215 485 G HA2 -0.259 1.258 3.960 -4.072 0.000 0.198 485 G HA3 -0.259 1.258 3.960 -4.072 0.000 0.198 485 G C 0.437 175.402 174.900 0.109 0.000 1.047 485 G CA -0.184 44.947 45.100 0.052 0.000 0.747 485 G HN 0.588 nan 8.290 nan 0.000 0.495 486 H N -1.802 117.254 119.070 -0.023 0.000 2.684 486 H HA -0.262 1.851 4.556 -4.072 0.000 0.309 486 H C 1.682 176.995 175.328 -0.024 0.000 1.102 486 H CA 1.297 57.330 56.048 -0.024 0.000 1.147 486 H CB -0.901 28.848 29.762 -0.021 0.000 1.391 486 H HN 0.995 nan 8.280 nan 0.000 0.398 487 G N -0.925 107.861 108.800 -0.023 0.000 2.763 487 G HA2 0.420 1.937 3.960 -4.072 0.000 0.205 487 G HA3 0.420 1.937 3.960 -4.072 0.000 0.205 487 G C 0.564 175.411 174.900 -0.088 0.000 1.137 487 G CA 0.622 45.689 45.100 -0.056 0.000 0.839 487 G HN 0.574 nan 8.290 nan 0.000 0.596 488 G N -0.559 108.200 108.800 -0.069 0.000 2.755 488 G HA2 0.425 1.942 3.960 -4.072 0.000 0.297 488 G HA3 0.425 1.942 3.960 -4.072 0.000 0.297 488 G C -1.424 173.441 174.900 -0.058 0.000 1.441 488 G CA -0.164 44.893 45.100 -0.072 0.000 0.964 488 G HN 0.198 nan 8.290 nan 0.000 0.540 489 S N -0.221 115.438 115.700 -0.069 0.000 2.489 489 S HA 0.634 2.661 4.470 -4.072 0.000 0.277 489 S C 0.462 175.030 174.600 -0.052 0.000 1.230 489 S CA -0.410 57.752 58.200 -0.063 0.000 1.053 489 S CB 0.598 63.753 63.200 -0.076 0.000 0.955 489 S HN 0.642 nan 8.310 nan 0.000 0.488 490 V N 3.870 123.754 119.914 -0.051 0.000 3.182 490 V HA 0.547 2.224 4.120 -4.072 0.000 0.311 490 V C 0.030 176.083 176.094 -0.069 0.000 1.221 490 V CA -1.235 61.038 62.300 -0.045 0.000 1.060 490 V CB 1.643 33.445 31.823 -0.034 0.000 1.164 490 V HN 0.882 nan 8.190 nan 0.000 0.466 491 E N 0.502 120.661 120.200 -0.069 0.000 2.373 491 E HA 0.643 2.550 4.350 -4.072 0.000 0.263 491 E C -0.109 176.376 176.600 -0.193 0.000 1.073 491 E CA -0.045 56.275 56.400 -0.133 0.000 0.894 491 E CB 1.460 31.087 29.700 -0.121 0.000 1.008 491 E HN 1.070 nan 8.360 nan 0.000 0.420 492 G N 0.998 109.582 108.800 -0.360 0.000 2.451 492 G HA2 0.437 1.954 3.960 -4.072 0.000 0.292 492 G HA3 0.437 1.954 3.960 -4.072 0.000 0.292 492 G C -1.810 172.784 174.900 -0.511 0.000 1.427 492 G CA -1.051 43.855 45.100 -0.322 0.000 0.792 492 G HN 0.374 nan 8.290 nan 0.000 0.498 493 F N -0.069 119.897 119.950 0.026 0.000 2.563 493 F HA 0.664 2.750 4.527 -4.069 0.000 0.316 493 F C 0.315 176.183 175.800 0.113 0.000 1.076 493 F CA -0.776 57.289 58.000 0.108 0.000 0.921 493 F CB 2.582 41.702 39.000 0.200 0.000 1.209 493 F HN 0.492 nan 8.300 nan 0.000 0.462 494 Q N 1.637 121.628 119.800 0.318 0.000 2.214 494 Q HA 0.688 2.585 4.340 -4.072 0.000 0.251 494 Q C -1.403 174.757 176.000 0.265 0.000 0.936 494 Q CA -0.799 55.140 55.803 0.226 0.000 0.894 494 Q CB 2.029 30.855 28.738 0.147 0.000 1.252 494 Q HN 0.609 nan 8.270 nan 0.000 0.448 495 V N 2.276 122.260 119.914 0.117 0.000 2.472 495 V HA 0.425 2.102 4.120 -4.072 0.000 0.290 495 V C -0.412 175.649 176.094 -0.055 0.000 1.037 495 V CA -0.721 61.555 62.300 -0.040 0.000 0.908 495 V CB 1.414 33.108 31.823 -0.215 0.000 0.985 495 V HN 0.749 nan 8.190 nan 0.000 0.454 496 H N 4.512 123.515 119.070 -0.112 0.000 2.547 496 H HA 0.630 2.742 4.556 -4.073 0.000 0.342 496 H C -1.171 174.140 175.328 -0.030 0.000 1.048 496 H CA -0.528 55.491 56.048 -0.048 0.000 1.204 496 H CB 2.310 32.057 29.762 -0.026 0.000 1.493 496 H HN 0.469 nan 8.280 nan 0.000 0.511 497 L N 1.098 122.381 121.223 0.101 0.000 2.362 497 L HA 0.390 2.287 4.340 -4.072 0.000 0.275 497 L C 0.871 177.829 176.870 0.146 0.000 0.998 497 L CA -0.534 54.392 54.840 0.144 0.000 0.820 497 L CB 2.063 44.191 42.059 0.115 0.000 1.270 497 L HN 1.008 nan 8.230 nan 0.000 0.415 498 G N 1.875 110.816 108.800 0.235 0.000 2.149 498 G HA2 -0.178 1.339 3.960 -4.072 0.000 0.235 498 G HA3 -0.178 1.339 3.960 -4.072 0.000 0.235 498 G C 0.312 175.351 174.900 0.232 0.000 1.018 498 G CA -0.122 45.106 45.100 0.213 0.000 0.728 498 G HN 1.008 nan 8.290 nan 0.000 0.508 499 G N 0.516 109.439 108.800 0.206 0.000 2.353 499 G HA2 0.675 2.192 3.960 -4.072 0.000 0.284 499 G HA3 0.675 2.192 3.960 -4.072 0.000 0.284 499 G C -0.089 174.917 174.900 0.177 0.000 1.172 499 G CA 0.200 45.397 45.100 0.163 0.000 0.854 499 G HN 1.125 nan 8.290 nan 0.000 0.485 500 H N 0.712 119.790 119.070 0.012 0.000 2.985 500 H HA 0.583 2.697 4.556 -4.070 0.000 0.360 500 H C -1.244 174.054 175.328 -0.049 0.000 1.221 500 H CA -0.970 55.068 56.048 -0.017 0.000 1.121 500 H CB 1.230 30.971 29.762 -0.036 0.000 1.854 500 H HN 0.320 nan 8.280 nan 0.000 0.551 501 L N 0.113 121.343 121.223 0.013 0.000 2.492 501 L HA 0.551 2.448 4.340 -4.072 0.000 0.263 501 L C 1.194 178.072 176.870 0.013 0.000 1.062 501 L CA -0.007 54.789 54.840 -0.073 0.000 0.817 501 L CB 1.007 43.003 42.059 -0.105 0.000 1.441 501 L HN 1.113 nan 8.230 nan 0.000 0.493 502 G N 0.057 108.833 108.800 -0.040 0.000 2.562 502 G HA2 -0.294 1.222 3.960 -4.072 0.000 0.250 502 G HA3 -0.294 1.222 3.960 -4.072 0.000 0.250 502 G C -0.649 174.299 174.900 0.080 0.000 1.269 502 G CA -0.182 44.935 45.100 0.027 0.000 0.919 502 G HN 0.578 nan 8.290 nan 0.000 0.574 503 L N 1.922 123.193 121.223 0.080 0.000 2.678 503 L HA 0.221 2.117 4.340 -4.072 0.000 0.285 503 L C 0.896 177.847 176.870 0.135 0.000 1.233 503 L CA 1.663 56.551 54.840 0.081 0.000 0.920 503 L CB -0.594 41.486 42.059 0.034 0.000 1.176 503 L HN 0.805 nan 8.230 nan 0.000 0.495 504 D N 3.058 123.513 120.400 0.091 0.000 2.697 504 D HA -0.234 1.962 4.640 -4.072 0.000 0.235 504 D C 0.533 176.825 176.300 -0.013 0.000 1.167 504 D CA 0.861 54.905 54.000 0.073 0.000 0.656 504 D CB -1.039 39.832 40.800 0.118 0.000 1.025 504 D HN 0.887 nan 8.370 nan 0.000 0.419 505 A N 0.084 122.819 122.820 -0.142 0.000 2.521 505 A HA 0.526 2.403 4.320 -4.072 0.000 0.237 505 A C 1.222 178.468 177.584 -0.562 0.000 1.087 505 A CA 1.035 52.819 52.037 -0.421 0.000 0.777 505 A CB 0.560 19.403 19.000 -0.262 0.000 1.035 505 A HN 1.017 nan 8.150 nan 0.000 0.510 506 G N -1.285 107.069 108.800 -0.743 0.000 2.316 506 G HA2 0.495 2.012 3.960 -4.072 0.000 0.296 506 G HA3 0.495 2.012 3.960 -4.072 0.000 0.296 506 G C -1.162 173.380 174.900 -0.597 0.000 1.399 506 G CA -0.941 43.711 45.100 -0.748 0.000 0.833 506 G HN 0.600 nan 8.290 nan 0.000 0.565 507 F N 0.449 120.341 119.950 -0.096 0.000 2.440 507 F HA 0.702 2.784 4.527 -4.075 0.000 0.328 507 F C 1.234 177.039 175.800 0.009 0.000 1.070 507 F CA -0.354 57.624 58.000 -0.036 0.000 1.011 507 F CB 1.348 40.345 39.000 -0.005 0.000 1.226 507 F HN 0.671 nan 8.300 nan 0.000 0.491 508 G N 0.675 109.642 108.800 0.279 0.000 2.483 508 G HA2 0.398 1.915 3.960 -4.072 0.000 0.248 508 G HA3 0.398 1.915 3.960 -4.072 0.000 0.248 508 G C -0.318 174.664 174.900 0.137 0.000 1.248 508 G CA -0.898 44.315 45.100 0.189 0.000 0.838 508 G HN 0.759 nan 8.290 nan 0.000 0.566 509 R N 1.012 121.534 120.500 0.037 0.000 2.531 509 R HA 0.452 2.349 4.340 -4.072 0.000 0.273 509 R C -0.470 175.752 176.300 -0.129 0.000 1.070 509 R CA -0.545 55.531 56.100 -0.039 0.000 1.112 509 R CB 1.215 31.476 30.300 -0.065 0.000 1.049 509 R HN 0.319 nan 8.270 nan 0.000 0.508 510 K N 1.911 122.198 120.400 -0.187 0.000 2.095 510 K HA 0.408 2.284 4.320 -4.072 0.000 0.252 510 K C -0.517 175.982 176.600 -0.169 0.000 0.977 510 K CA -0.691 55.435 56.287 -0.269 0.000 0.900 510 K CB 1.362 33.675 32.500 -0.312 0.000 1.060 510 K HN 0.376 nan 8.250 nan 0.000 0.449 511 L N 2.091 123.221 121.223 -0.156 0.000 2.334 511 L HA 0.413 2.310 4.340 -4.072 0.000 0.273 511 L C 1.594 178.432 176.870 -0.053 0.000 1.013 511 L CA -0.655 54.108 54.840 -0.128 0.000 0.816 511 L CB 1.613 43.528 42.059 -0.240 0.000 1.278 511 L HN 0.700 nan 8.230 nan 0.000 0.431 512 R N 1.359 121.837 120.500 -0.037 0.000 2.147 512 R HA -0.143 1.754 4.340 -4.072 0.000 0.225 512 R C 0.599 176.911 176.300 0.020 0.000 1.120 512 R CA 1.758 57.851 56.100 -0.012 0.000 0.891 512 R CB 0.059 30.351 30.300 -0.013 0.000 0.822 512 R HN 0.661 nan 8.270 nan 0.000 0.433 513 Q N 0.145 119.976 119.800 0.052 0.000 2.849 513 Q HA 0.136 2.033 4.340 -4.072 0.000 0.289 513 Q C -1.745 174.317 176.000 0.103 0.000 1.012 513 Q CA -0.232 55.602 55.803 0.052 0.000 0.899 513 Q CB 0.799 29.555 28.738 0.030 0.000 1.235 513 Q HN 0.380 nan 8.270 nan 0.000 0.457 514 H N 0.769 119.826 119.070 -0.022 0.000 2.877 514 H HA 0.468 2.585 4.556 -4.065 0.000 0.347 514 H C -1.577 173.736 175.328 -0.025 0.000 1.042 514 H CA -0.393 55.643 56.048 -0.021 0.000 1.276 514 H CB 1.037 30.779 29.762 -0.033 0.000 1.681 514 H HN 0.181 nan 8.280 nan 0.000 0.521 515 K N 3.427 123.597 120.400 -0.382 0.000 2.477 515 K HA 0.606 2.483 4.320 -4.072 0.000 0.255 515 K C -1.492 174.937 176.600 -0.285 0.000 0.952 515 K CA -1.075 55.082 56.287 -0.217 0.000 0.826 515 K CB 3.010 35.450 32.500 -0.100 0.000 1.331 515 K HN 0.231 nan 8.250 nan 0.000 0.437 516 V N 1.685 121.558 119.914 -0.068 0.000 2.380 516 V HA 0.232 1.909 4.120 -4.072 0.000 0.286 516 V C 0.144 176.326 176.094 0.146 0.000 1.015 516 V CA -0.979 61.329 62.300 0.013 0.000 0.834 516 V CB 1.093 32.960 31.823 0.073 0.000 1.009 516 V HN 0.994 nan 8.190 nan 0.000 0.428 517 T N 0.998 115.599 114.554 0.077 0.000 2.802 517 T HA 0.083 1.990 4.350 -4.072 0.000 0.305 517 T C 1.526 176.326 174.700 0.167 0.000 1.053 517 T CA 0.639 62.794 62.100 0.092 0.000 1.058 517 T CB 1.283 70.172 68.868 0.035 0.000 0.988 517 T HN 0.564 nan 8.240 nan 0.000 0.539 518 S N 0.867 116.680 115.700 0.189 0.000 2.387 518 S HA -0.171 1.855 4.470 -4.072 0.000 0.230 518 S C 1.550 176.199 174.600 0.082 0.000 1.035 518 S CA 1.864 60.207 58.200 0.239 0.000 1.014 518 S CB -0.906 62.404 63.200 0.182 0.000 0.836 518 S HN 0.848 nan 8.310 nan 0.000 0.466 519 D N 0.997 121.427 120.400 0.051 0.000 2.117 519 D HA -0.114 2.083 4.640 -4.072 0.000 0.198 519 D C 1.545 177.849 176.300 0.008 0.000 0.982 519 D CA 0.991 55.003 54.000 0.021 0.000 0.828 519 D CB -0.729 40.082 40.800 0.019 0.000 0.967 519 D HN 0.586 nan 8.370 nan 0.000 0.464 520 E N 0.339 120.552 120.200 0.023 0.000 2.511 520 E HA 0.047 1.954 4.350 -4.072 0.000 0.196 520 E C 2.125 178.744 176.600 0.031 0.000 1.066 520 E CA -0.254 56.168 56.400 0.037 0.000 0.871 520 E CB -0.030 29.707 29.700 0.061 0.000 0.863 520 E HN 0.262 nan 8.360 nan 0.000 0.520 521 L N 0.321 121.501 121.223 -0.071 0.000 1.971 521 L HA -0.229 1.668 4.340 -4.072 0.000 0.215 521 L C 2.550 179.385 176.870 -0.060 0.000 1.072 521 L CA 1.641 56.358 54.840 -0.204 0.000 0.758 521 L CB -0.828 40.963 42.059 -0.448 0.000 0.889 521 L HN 0.312 nan 8.230 nan 0.000 0.433 522 G N -0.802 107.952 108.800 -0.076 0.000 2.442 522 G HA2 -0.277 1.240 3.960 -4.072 0.000 0.219 522 G HA3 -0.277 1.240 3.960 -4.072 0.000 0.219 522 G C 1.095 175.983 174.900 -0.020 0.000 1.141 522 G CA 1.034 46.089 45.100 -0.074 0.000 0.763 522 G HN 0.333 nan 8.290 nan 0.000 0.554 523 D N -0.689 119.729 120.400 0.030 0.000 2.097 523 D HA -0.119 2.077 4.640 -4.072 0.000 0.195 523 D C 1.933 178.300 176.300 0.113 0.000 0.989 523 D CA 0.868 54.905 54.000 0.063 0.000 0.827 523 D CB -0.426 40.422 40.800 0.080 0.000 0.966 523 D HN 0.376 nan 8.370 nan 0.000 0.456 524 Y N 1.649 122.008 120.300 0.097 0.000 2.089 524 Y HA -0.196 1.923 4.550 -4.051 0.000 0.282 524 Y C 2.173 178.191 175.900 0.196 0.000 1.139 524 Y CA 1.321 59.532 58.100 0.186 0.000 1.123 524 Y CB -0.359 38.269 38.460 0.280 0.000 0.980 524 Y HN -0.132 nan 8.280 nan 0.000 0.493 525 I N 0.628 121.271 120.570 0.122 0.000 2.068 525 I HA -0.409 1.318 4.170 -4.072 0.000 0.238 525 I C 2.284 178.370 176.117 -0.052 0.000 1.046 525 I CA 2.441 63.761 61.300 0.033 0.000 1.306 525 I CB -1.443 36.578 38.000 0.035 0.000 1.023 525 I HN 0.335 nan 8.210 nan 0.000 0.399 526 D N 0.509 120.872 120.400 -0.061 0.000 2.154 526 D HA -0.283 1.914 4.640 -4.072 0.000 0.190 526 D C 2.371 178.671 176.300 -0.001 0.000 1.003 526 D CA 2.104 56.081 54.000 -0.039 0.000 0.849 526 D CB -0.071 40.702 40.800 -0.044 0.000 0.942 526 D HN 0.193 nan 8.370 nan 0.000 0.446 527 R N -0.406 120.077 120.500 -0.029 0.000 2.062 527 R HA -0.083 1.814 4.340 -4.072 0.000 0.231 527 R C 2.383 178.692 176.300 0.015 0.000 1.136 527 R CA 1.399 57.497 56.100 -0.003 0.000 0.948 527 R CB -0.681 29.622 30.300 0.006 0.000 0.845 527 R HN 0.218 nan 8.270 nan 0.000 0.430 528 V N 0.324 120.179 119.914 -0.099 0.000 2.515 528 V HA -0.144 1.533 4.120 -4.072 0.000 0.250 528 V C 2.043 178.303 176.094 0.277 0.000 1.058 528 V CA 1.565 63.898 62.300 0.056 0.000 1.064 528 V CB 0.146 31.858 31.823 -0.185 0.000 0.675 528 V HN 0.276 nan 8.190 nan 0.000 0.461 529 V N 0.251 120.291 119.914 0.210 0.000 2.307 529 V HA -0.238 1.439 4.120 -4.072 0.000 0.245 529 V C 2.614 178.867 176.094 0.264 0.000 1.045 529 V CA 2.500 64.993 62.300 0.321 0.000 1.024 529 V CB -0.822 31.183 31.823 0.303 0.000 0.651 529 V HN 0.490 nan 8.190 nan 0.000 0.449 530 R N 0.129 120.719 120.500 0.149 0.000 2.081 530 R HA -0.176 1.721 4.340 -4.072 0.000 0.235 530 R C 2.170 178.498 176.300 0.047 0.000 1.131 530 R CA 1.933 58.081 56.100 0.079 0.000 0.960 530 R CB -0.433 29.903 30.300 0.059 0.000 0.856 530 R HN 0.532 nan 8.270 nan 0.000 0.436 531 N N -0.020 118.743 118.700 0.105 0.000 2.244 531 N HA -0.156 2.141 4.740 -4.072 0.000 0.183 531 N C 1.289 176.718 175.510 -0.135 0.000 1.016 531 N CA 0.877 54.019 53.050 0.154 0.000 0.866 531 N CB -0.170 38.496 38.487 0.299 0.000 0.980 531 N HN 0.112 nan 8.380 nan 0.000 0.430 532 F N 1.263 120.892 119.950 -0.534 0.000 2.031 532 F HA -0.159 1.760 4.527 -4.346 0.000 0.295 532 F C 1.907 177.314 175.800 -0.655 0.000 1.133 532 F CA 1.157 58.474 58.000 -1.137 0.000 1.188 532 F CB -0.795 37.984 39.000 -0.368 0.000 0.974 532 F HN -0.175 nan 8.300 nan 0.000 0.473 533 V N 0.635 120.177 119.914 -0.619 0.000 2.469 533 V HA -0.318 1.359 4.120 -4.072 0.000 0.251 533 V C 2.451 178.291 176.094 -0.424 0.000 1.064 533 V CA 2.290 64.236 62.300 -0.590 0.000 1.066 533 V CB -1.019 30.640 31.823 -0.273 0.000 0.667 533 V HN 0.317 nan 8.190 nan 0.000 0.461 534 K N -0.254 119.966 120.400 -0.300 0.000 2.026 534 K HA -0.155 1.722 4.320 -4.072 0.000 0.208 534 K C 1.961 178.343 176.600 -0.365 0.000 1.048 534 K CA 1.751 57.876 56.287 -0.270 0.000 0.929 534 K CB -0.165 32.238 32.500 -0.162 0.000 0.713 534 K HN 0.631 nan 8.250 nan 0.000 0.439 535 H N -0.815 118.075 119.070 -0.301 0.000 2.586 535 H HA 0.144 2.203 4.556 -4.161 0.000 0.273 535 H C -0.004 175.181 175.328 -0.239 0.000 0.997 535 H CA -0.191 55.766 56.048 -0.153 0.000 1.177 535 H CB 0.264 30.111 29.762 0.142 0.000 1.471 535 H HN 0.114 nan 8.280 nan 0.000 0.538 536 R N 0.776 121.020 120.500 -0.427 0.000 2.707 536 R HA 0.260 2.157 4.340 -4.072 0.000 0.270 536 R C 0.113 176.302 176.300 -0.185 0.000 1.083 536 R CA -0.078 55.786 56.100 -0.394 0.000 1.182 536 R CB 0.805 30.621 30.300 -0.807 0.000 1.084 536 R HN 0.110 nan 8.270 nan 0.000 0.528 537 S N 0.369 116.020 115.700 -0.081 0.000 2.690 537 S HA 0.161 2.188 4.470 -4.072 0.000 0.291 537 S C -0.714 173.855 174.600 -0.051 0.000 1.138 537 S CA -0.752 57.423 58.200 -0.042 0.000 1.013 537 S CB 1.293 64.503 63.200 0.017 0.000 1.053 537 S HN 0.672 nan 8.310 nan 0.000 0.539 538 E N 0.635 120.813 120.200 -0.037 0.000 2.415 538 E HA 0.409 2.315 4.350 -4.072 0.000 0.263 538 E C 1.268 177.869 176.600 0.002 0.000 0.995 538 E CA 1.687 58.070 56.400 -0.028 0.000 0.915 538 E CB 0.151 29.838 29.700 -0.022 0.000 0.951 538 E HN 1.013 nan 8.360 nan 0.000 0.449 539 G N 3.279 112.087 108.800 0.013 0.000 2.212 539 G HA2 -0.407 1.110 3.960 -4.072 0.000 0.266 539 G HA3 -0.407 1.110 3.960 -4.072 0.000 0.266 539 G C 0.335 175.282 174.900 0.078 0.000 0.978 539 G CA 0.470 45.597 45.100 0.045 0.000 0.632 539 G HN 0.578 nan 8.290 nan 0.000 0.537 540 E N 1.114 121.365 120.200 0.084 0.000 2.351 540 E HA 0.365 2.272 4.350 -4.072 0.000 0.266 540 E C 0.920 177.668 176.600 0.248 0.000 1.031 540 E CA -0.577 55.905 56.400 0.137 0.000 0.911 540 E CB 0.283 30.068 29.700 0.141 0.000 0.986 540 E HN 0.444 nan 8.360 nan 0.000 0.446 541 R N 3.136 123.746 120.500 0.183 0.000 2.679 541 R HA 0.021 1.918 4.340 -4.072 0.000 0.269 541 R C 0.996 177.418 176.300 0.203 0.000 1.076 541 R CA -0.247 55.958 56.100 0.174 0.000 1.160 541 R CB 0.341 30.648 30.300 0.013 0.000 1.054 541 R HN 0.661 nan 8.270 nan 0.000 0.507 542 F N 2.177 122.030 119.950 -0.162 0.000 2.043 542 F HA -0.294 1.813 4.527 -4.034 0.000 0.297 542 F C 2.119 177.870 175.800 -0.082 0.000 1.121 542 F CA 2.294 59.990 58.000 -0.507 0.000 1.199 542 F CB -0.419 38.194 39.000 -0.645 0.000 0.968 542 F HN 0.678 nan 8.300 nan 0.000 0.478 543 A N -0.124 122.733 122.820 0.062 0.000 1.958 543 A HA -0.310 1.567 4.320 -4.072 0.000 0.221 543 A C 2.094 179.646 177.584 -0.054 0.000 1.178 543 A CA 2.173 54.210 52.037 -0.001 0.000 0.642 543 A CB -0.965 18.017 19.000 -0.029 0.000 0.816 543 A HN 0.689 nan 8.150 nan 0.000 0.453 544 Q N -2.257 117.531 119.800 -0.021 0.000 2.079 544 Q HA -0.224 1.673 4.340 -4.072 0.000 0.200 544 Q C 1.956 177.991 176.000 0.058 0.000 0.974 544 Q CA 1.586 57.398 55.803 0.014 0.000 0.840 544 Q CB -0.317 28.447 28.738 0.044 0.000 0.898 544 Q HN 0.900 nan 8.270 nan 0.000 0.430 545 W N 1.403 122.656 121.300 -0.078 0.000 2.333 545 W HA -0.243 4.609 4.660 0.319 0.000 0.316 545 W C 1.901 178.327 176.519 -0.156 0.000 1.215 545 W CA 1.575 58.880 57.345 -0.067 0.000 1.278 545 W CB -0.623 28.860 29.460 0.039 0.000 1.154 545 W HN -0.142 nan 8.180 nan 0.000 0.486 546 V N 2.371 122.030 119.914 -0.426 0.000 2.317 546 V HA -0.385 1.292 4.120 -4.072 0.000 0.251 546 V C 2.415 178.251 176.094 -0.431 0.000 1.065 546 V CA 2.468 64.398 62.300 -0.617 0.000 1.049 546 V CB -1.455 30.116 31.823 -0.421 0.000 0.651 546 V HN 0.511 nan 8.190 nan 0.000 0.450 547 I N 0.866 121.289 120.570 -0.244 0.000 2.361 547 I HA -0.259 1.468 4.170 -4.072 0.000 0.251 547 I C 2.526 178.534 176.117 -0.181 0.000 1.133 547 I CA 2.267 63.469 61.300 -0.164 0.000 1.413 547 I CB -0.338 37.615 38.000 -0.078 0.000 1.073 547 I HN 0.390 nan 8.210 nan 0.000 0.424 548 R N 1.879 122.252 120.500 -0.213 0.000 2.206 548 R HA 0.360 2.256 4.340 -4.072 0.000 0.198 548 R C 1.212 177.350 176.300 -0.270 0.000 0.986 548 R CA 0.410 56.405 56.100 -0.175 0.000 1.029 548 R CB -0.530 29.725 30.300 -0.075 0.000 0.966 548 R HN 0.294 nan 8.270 nan 0.000 0.487 549 A N 2.378 124.875 122.820 -0.538 0.000 2.613 549 A HA -0.054 1.823 4.320 -4.072 0.000 0.230 549 A C -0.515 176.826 177.584 -0.406 0.000 1.051 549 A CA 0.191 51.810 52.037 -0.697 0.000 0.754 549 A CB 0.028 18.149 19.000 -1.465 0.000 0.979 549 A HN 0.529 nan 8.150 nan 0.000 0.510 550 E N 0.999 121.021 120.200 -0.295 0.000 2.331 550 E HA 0.163 2.070 4.350 -4.072 0.000 0.272 550 E C 0.688 177.173 176.600 -0.193 0.000 1.036 550 E CA -0.114 56.172 56.400 -0.189 0.000 0.864 550 E CB 0.784 30.413 29.700 -0.118 0.000 1.035 550 E HN 0.794 nan 8.360 nan 0.000 0.408 551 E N 2.253 122.367 120.200 -0.144 0.000 2.164 551 E HA -0.308 1.598 4.350 -4.072 0.000 0.206 551 E C 0.716 177.265 176.600 -0.084 0.000 1.032 551 E CA 2.295 58.624 56.400 -0.118 0.000 0.832 551 E CB 0.045 29.699 29.700 -0.077 0.000 0.742 551 E HN 0.539 nan 8.360 nan 0.000 0.460 552 D N -0.221 120.147 120.400 -0.055 0.000 2.144 552 D HA -0.106 2.091 4.640 -4.072 0.000 0.200 552 D C 1.145 177.455 176.300 0.016 0.000 0.978 552 D CA 1.273 55.270 54.000 -0.004 0.000 0.833 552 D CB -0.135 40.669 40.800 0.007 0.000 0.961 552 D HN 0.266 nan 8.370 nan 0.000 0.470 553 D N -0.220 120.164 120.400 -0.027 0.000 2.348 553 D HA -0.015 2.182 4.640 -4.072 0.000 0.216 553 D C 1.712 178.083 176.300 0.119 0.000 0.970 553 D CA 0.353 54.377 54.000 0.040 0.000 0.889 553 D CB 0.185 40.959 40.800 -0.042 0.000 0.912 553 D HN 0.296 nan 8.370 nan 0.000 0.524 554 L N -0.066 121.164 121.223 0.012 0.000 2.554 554 L HA 0.127 2.024 4.340 -4.072 0.000 0.225 554 L C 1.295 178.254 176.870 0.148 0.000 1.104 554 L CA 0.051 54.910 54.840 0.032 0.000 0.866 554 L CB 0.290 42.273 42.059 -0.126 0.000 1.047 554 L HN -0.185 nan 8.230 nan 0.000 0.468 555 R N 0.000 120.583 120.500 0.138 0.000 2.786 555 R HA 0.000 1.897 4.340 -4.072 0.000 0.208 555 R CA 0.000 56.257 56.100 0.262 0.000 0.921 555 R CB 0.000 30.435 30.300 0.225 0.000 0.687 555 R HN 0.000 nan 8.270 nan 0.000 0.535