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 1xs2_1_D DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.484 176.300 0.306 0.000 0.893 6 R CA 0.000 56.219 56.100 0.199 0.000 0.921 6 R CB 0.000 30.370 30.300 0.117 0.000 0.687 7 M N 1.290 121.008 119.600 0.198 0.000 2.232 7 M HA 0.298 4.778 4.480 -0.000 0.000 0.321 7 M C -0.441 176.001 176.300 0.236 0.000 1.101 7 M CA 0.322 55.712 55.300 0.148 0.000 1.181 7 M CB -0.001 32.585 32.600 -0.023 0.000 1.432 7 M HN 0.534 nan 8.290 nan 0.000 0.457 8 F N -0.422 119.613 119.950 0.142 0.000 2.551 8 F HA 0.694 5.221 4.527 -0.000 0.000 0.316 8 F C -0.829 175.048 175.800 0.127 0.000 1.089 8 F CA -1.199 56.894 58.000 0.155 0.000 0.915 8 F CB 1.080 40.217 39.000 0.227 0.000 1.186 8 F HN 0.404 nan 8.300 nan 0.000 0.456 9 K N 4.648 125.194 120.400 0.244 0.000 2.274 9 K HA 0.551 4.871 4.320 -0.000 0.000 0.262 9 K C -1.122 175.634 176.600 0.261 0.000 0.961 9 K CA -0.645 55.725 56.287 0.138 0.000 0.833 9 K CB 1.178 33.716 32.500 0.064 0.000 1.102 9 K HN 0.878 nan 8.250 nan 0.000 0.436 10 I N 4.863 125.607 120.570 0.290 0.000 2.308 10 I HA 0.054 4.223 4.170 -0.000 0.000 0.293 10 I C 0.709 176.946 176.117 0.199 0.000 1.078 10 I CA 0.028 61.502 61.300 0.290 0.000 1.292 10 I CB 1.078 39.281 38.000 0.339 0.000 1.423 10 I HN 0.776 nan 8.210 nan 0.000 0.493 11 E N 4.370 124.680 120.200 0.183 0.000 2.216 11 E HA 0.257 4.607 4.350 -0.000 0.000 0.192 11 E C 0.424 177.110 176.600 0.142 0.000 0.973 11 E CA 0.185 56.668 56.400 0.137 0.000 0.851 11 E CB 0.565 30.332 29.700 0.111 0.000 0.804 11 E HN 0.761 nan 8.360 nan 0.000 0.477 12 A N 0.304 123.242 122.820 0.196 0.000 2.609 12 A HA 0.817 5.136 4.320 -0.000 0.000 0.291 12 A C -1.654 176.094 177.584 0.274 0.000 1.096 12 A CA -0.338 51.824 52.037 0.207 0.000 0.684 12 A CB 1.718 20.805 19.000 0.146 0.000 1.282 12 A HN 0.067 nan 8.150 nan 0.000 0.412 13 A N 0.545 123.513 122.820 0.247 0.000 2.422 13 A HA 0.732 5.051 4.320 -0.000 0.000 0.302 13 A C -0.947 176.767 177.584 0.218 0.000 1.041 13 A CA -0.422 51.744 52.037 0.215 0.000 0.708 13 A CB 1.025 20.127 19.000 0.170 0.000 1.257 13 A HN 0.725 nan 8.150 nan 0.000 0.414 14 E N 1.703 122.008 120.200 0.174 0.000 2.183 14 E HA 0.527 4.877 4.350 -0.000 0.000 0.271 14 E C -1.142 175.522 176.600 0.107 0.000 0.919 14 E CA -0.446 56.036 56.400 0.137 0.000 0.781 14 E CB 2.299 32.079 29.700 0.134 0.000 1.140 14 E HN 0.576 nan 8.360 nan 0.000 0.402 15 I N 3.066 123.701 120.570 0.108 0.000 2.330 15 I HA 0.248 4.417 4.170 -0.000 0.000 0.289 15 I C -0.809 175.331 176.117 0.040 0.000 1.001 15 I CA -0.845 60.501 61.300 0.076 0.000 1.193 15 I CB 1.278 39.339 38.000 0.101 0.000 1.345 15 I HN 0.193 nan 8.210 nan 0.000 0.461 16 V N 7.495 127.421 119.914 0.020 0.000 2.483 16 V HA 0.354 4.473 4.120 -0.000 0.000 0.297 16 V C -0.112 175.973 176.094 -0.015 0.000 1.027 16 V CA -0.684 61.615 62.300 -0.001 0.000 0.855 16 V CB 2.098 33.919 31.823 -0.003 0.000 0.995 16 V HN 0.359 nan 8.190 nan 0.000 0.424 17 V N 4.131 124.031 119.914 -0.023 0.000 2.394 17 V HA 0.861 4.980 4.120 -0.000 0.000 0.282 17 V C 0.438 176.503 176.094 -0.048 0.000 1.031 17 V CA -0.286 61.995 62.300 -0.031 0.000 0.881 17 V CB 1.475 33.284 31.823 -0.023 0.000 0.982 17 V HN 0.991 nan 8.190 nan 0.000 0.451 18 A N 4.835 127.619 122.820 -0.059 0.000 2.384 18 A HA 0.913 5.233 4.320 -0.000 0.000 0.312 18 A C -0.351 177.197 177.584 -0.059 0.000 1.113 18 A CA -0.933 51.055 52.037 -0.082 0.000 0.779 18 A CB 1.471 20.400 19.000 -0.118 0.000 1.307 18 A HN 0.810 nan 8.150 nan 0.000 0.436 19 R N 1.500 121.973 120.500 -0.045 0.000 2.358 19 R HA 0.545 4.885 4.340 -0.000 0.000 0.309 19 R C -1.956 174.388 176.300 0.074 0.000 1.026 19 R CA -0.448 55.670 56.100 0.030 0.000 0.909 19 R CB 0.605 30.920 30.300 0.025 0.000 1.153 19 R HN 0.563 nan 8.270 nan 0.000 0.515 20 L N 6.831 128.083 121.223 0.048 0.000 2.282 20 L HA 0.556 4.895 4.340 -0.000 0.000 0.288 20 L C -2.189 174.757 176.870 0.126 0.000 1.033 20 L CA -2.281 52.559 54.840 -0.000 0.000 0.807 20 L CB 1.479 43.335 42.059 -0.338 0.000 1.209 20 L HN 0.558 nan 8.230 nan 0.000 0.423 21 P HA 0.167 nan 4.420 nan 0.000 0.276 21 P C -0.430 176.955 177.300 0.142 0.000 1.230 21 P CA -0.288 62.703 63.100 -0.183 0.000 0.776 21 P CB 0.836 32.450 31.700 -0.144 0.000 0.888 22 L N 2.154 123.410 121.223 0.054 0.000 2.479 22 L HA 0.328 4.668 4.340 -0.000 0.000 0.248 22 L C 1.364 178.261 176.870 0.046 0.000 1.205 22 L CA -0.039 54.869 54.840 0.113 0.000 0.817 22 L CB 0.135 42.218 42.059 0.041 0.000 1.162 22 L HN 0.365 nan 8.230 nan 0.000 0.486 35 H N 0.189 119.318 119.070 0.098 0.000 2.908 35 H HA 0.674 5.230 4.556 -0.000 0.000 0.350 35 H C -1.209 174.203 175.328 0.140 0.000 1.217 35 H CA -0.915 55.209 56.048 0.128 0.000 1.168 35 H CB 2.118 31.931 29.762 0.084 0.000 1.891 35 H HN 0.005 nan 8.280 nan 0.000 0.566 36 K N 1.699 122.272 120.400 0.289 0.000 2.507 36 K HA 0.260 4.579 4.320 -0.000 0.000 0.251 36 K C -1.338 175.332 176.600 0.117 0.000 0.943 36 K CA -0.551 55.862 56.287 0.209 0.000 0.794 36 K CB 2.390 35.085 32.500 0.325 0.000 1.188 36 K HN 0.298 nan 8.250 nan 0.000 0.428 37 V N 3.709 123.666 119.914 0.071 0.000 2.530 37 V HA 0.252 4.372 4.120 -0.000 0.000 0.282 37 V C -0.046 176.047 176.094 -0.002 0.000 1.048 37 V CA -0.651 61.662 62.300 0.023 0.000 0.997 37 V CB 1.395 33.226 31.823 0.013 0.000 0.987 37 V HN 0.407 nan 8.190 nan 0.000 0.477 38 V N 7.540 127.432 119.914 -0.036 0.000 2.325 38 V HA 0.345 4.464 4.120 -0.000 0.000 0.280 38 V C -2.439 173.628 176.094 -0.045 0.000 1.016 38 V CA -1.684 60.584 62.300 -0.053 0.000 0.818 38 V CB 1.673 33.431 31.823 -0.108 0.000 1.019 38 V HN 0.767 nan 8.190 nan 0.000 0.434 39 P HA 0.451 nan 4.420 nan 0.000 0.287 39 P C -0.861 176.425 177.300 -0.023 0.000 1.281 39 P CA -0.160 62.927 63.100 -0.023 0.000 0.781 39 P CB 1.048 32.739 31.700 -0.016 0.000 0.903 40 L N 3.494 124.707 121.223 -0.017 0.000 2.346 40 L HA 0.589 4.929 4.340 -0.000 0.000 0.274 40 L C -0.178 176.694 176.870 0.003 0.000 1.007 40 L CA -1.163 53.671 54.840 -0.011 0.000 0.818 40 L CB 1.857 43.910 42.059 -0.011 0.000 1.284 40 L HN 0.218 nan 8.230 nan 0.000 0.424 41 L N 3.879 125.104 121.223 0.003 0.000 2.333 41 L HA 0.616 4.956 4.340 -0.000 0.000 0.280 41 L C -0.903 175.966 176.870 -0.001 0.000 1.004 41 L CA 0.006 54.854 54.840 0.014 0.000 0.820 41 L CB 1.515 43.584 42.059 0.017 0.000 1.247 41 L HN 0.378 nan 8.230 nan 0.000 0.416 42 I N 6.193 126.755 120.570 -0.013 0.000 2.389 42 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 42 I C -0.788 175.239 176.117 -0.150 0.000 0.999 42 I CA -0.504 60.738 61.300 -0.097 0.000 1.129 42 I CB 1.484 39.418 38.000 -0.109 0.000 1.288 42 I HN 0.446 nan 8.210 nan 0.000 0.444 43 L N 5.881 127.003 121.223 -0.168 0.000 2.317 43 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 43 L C -0.390 176.336 176.870 -0.241 0.000 1.024 43 L CA -0.708 54.065 54.840 -0.112 0.000 0.810 43 L CB 1.123 43.181 42.059 -0.002 0.000 1.240 43 L HN 0.509 nan 8.230 nan 0.000 0.427 44 H N 1.746 120.867 119.070 0.084 0.000 2.495 44 H HA 0.725 5.281 4.556 -0.000 0.000 0.348 44 H C -0.221 175.169 175.328 0.103 0.000 1.113 44 H CA -0.614 55.480 56.048 0.077 0.000 1.195 44 H CB 2.314 32.115 29.762 0.065 0.000 1.521 44 H HN 0.769 nan 8.280 nan 0.000 0.509 45 G N 1.308 110.232 108.800 0.208 0.000 2.633 45 G HA2 0.206 4.166 3.960 -0.000 0.000 0.299 45 G HA3 0.206 4.166 3.960 -0.000 0.000 0.299 45 G C -0.801 174.192 174.900 0.156 0.000 1.501 45 G CA -0.872 44.346 45.100 0.197 0.000 0.887 45 G HN 0.480 nan 8.290 nan 0.000 0.561 46 E N -0.289 119.997 120.200 0.142 0.000 2.476 46 E HA -0.268 4.082 4.350 -0.000 0.000 0.251 46 E C 1.441 178.090 176.600 0.082 0.000 1.130 46 E CA 1.840 58.308 56.400 0.113 0.000 0.736 46 E CB -1.607 28.176 29.700 0.138 0.000 1.298 46 E HN 2.587 nan 8.360 nan 0.000 0.400 47 G N -1.796 107.054 108.800 0.083 0.000 2.168 47 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.263 47 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.263 47 G C 0.527 175.467 174.900 0.067 0.000 0.977 47 G CA 1.203 46.343 45.100 0.067 0.000 0.659 47 G HN 0.997 nan 8.290 nan 0.000 0.533 48 V N -3.363 116.595 119.914 0.072 0.000 3.145 48 V HA 0.988 5.108 4.120 -0.000 0.000 0.311 48 V C -0.322 175.809 176.094 0.063 0.000 1.238 48 V CA -0.293 62.036 62.300 0.049 0.000 1.066 48 V CB 1.745 33.570 31.823 0.003 0.000 1.144 48 V HN 1.055 nan 8.190 nan 0.000 0.465 49 Q N 0.073 119.879 119.800 0.010 0.000 2.340 49 Q HA 0.746 5.085 4.340 -0.000 0.000 0.276 49 Q C -0.620 175.340 176.000 -0.067 0.000 1.048 49 Q CA -0.597 55.168 55.803 -0.064 0.000 0.832 49 Q CB 2.155 30.813 28.738 -0.134 0.000 1.373 49 Q HN 1.235 nan 8.270 nan 0.000 0.409 50 G N 0.952 109.706 108.800 -0.077 0.000 2.356 50 G HA2 0.576 4.536 3.960 -0.000 0.000 0.322 50 G HA3 0.576 4.536 3.960 -0.000 0.000 0.322 50 G C -0.956 173.936 174.900 -0.013 0.000 1.125 50 G CA -0.648 44.438 45.100 -0.022 0.000 0.885 50 G HN 0.405 nan 8.290 nan 0.000 0.467 51 V N 0.872 120.820 119.914 0.057 0.000 2.588 51 V HA 0.819 4.939 4.120 -0.000 0.000 0.304 51 V C 0.237 176.432 176.094 0.168 0.000 1.042 51 V CA -0.680 61.662 62.300 0.070 0.000 0.877 51 V CB 1.112 32.966 31.823 0.052 0.000 0.996 51 V HN 1.171 nan 8.190 nan 0.000 0.425 52 A N 3.356 126.210 122.820 0.057 0.000 2.479 52 A HA 0.889 5.209 4.320 -0.000 0.000 0.296 52 A C -0.832 176.718 177.584 -0.057 0.000 1.121 52 A CA -0.680 51.324 52.037 -0.054 0.000 0.743 52 A CB 1.887 20.790 19.000 -0.162 0.000 1.323 52 A HN 0.850 nan 8.150 nan 0.000 0.415 53 E N 0.893 121.031 120.200 -0.102 0.000 2.176 53 E HA 0.520 4.870 4.350 -0.000 0.000 0.267 53 E C 0.203 176.757 176.600 -0.076 0.000 0.893 53 E CA -0.618 55.744 56.400 -0.064 0.000 0.761 53 E CB 1.399 31.075 29.700 -0.040 0.000 1.133 53 E HN 0.916 nan 8.360 nan 0.000 0.409 54 G N 1.773 110.544 108.800 -0.049 0.000 2.442 54 G HA2 0.153 4.113 3.960 -0.000 0.000 0.249 54 G HA3 0.153 4.113 3.960 -0.000 0.000 0.249 54 G C 0.667 175.542 174.900 -0.041 0.000 1.263 54 G CA 0.078 45.154 45.100 -0.040 0.000 0.846 54 G HN 0.636 nan 8.290 nan 0.000 0.555 55 T N 0.007 114.536 114.554 -0.043 0.000 3.044 55 T HA 0.188 4.538 4.350 -0.000 0.000 0.260 55 T C 1.182 175.859 174.700 -0.037 0.000 1.019 55 T CA -0.361 61.706 62.100 -0.054 0.000 0.921 55 T CB -0.044 68.774 68.868 -0.084 0.000 1.053 55 T HN 0.528 nan 8.240 nan 0.000 0.533 56 M N 1.853 121.444 119.600 -0.015 0.000 2.226 56 M HA 0.518 4.998 4.480 -0.000 0.000 0.324 56 M C -0.511 175.787 176.300 -0.004 0.000 1.112 56 M CA -0.048 55.252 55.300 0.000 0.000 1.176 56 M CB 0.115 32.717 32.600 0.004 0.000 1.430 56 M HN 0.205 nan 8.290 nan 0.000 0.462 57 E N 1.138 121.340 120.200 0.002 0.000 2.334 57 E HA 0.715 5.065 4.350 -0.000 0.000 0.256 57 E C 0.683 177.283 176.600 0.000 0.000 0.958 57 E CA -0.677 55.725 56.400 0.004 0.000 0.821 57 E CB 1.002 30.708 29.700 0.011 0.000 1.269 57 E HN 0.703 nan 8.360 nan 0.000 0.413 58 A N 0.491 123.312 122.820 0.002 0.000 1.930 58 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 58 A C 0.811 178.391 177.584 -0.007 0.000 1.175 58 A CA 1.208 53.243 52.037 -0.003 0.000 0.627 58 A CB -0.187 18.813 19.000 -0.000 0.000 0.815 58 A HN 0.399 nan 8.150 nan 0.000 0.443 59 R N -0.858 119.638 120.500 -0.005 0.000 2.750 59 R HA 0.401 4.741 4.340 -0.000 0.000 0.281 59 R C -2.967 173.321 176.300 -0.019 0.000 0.972 59 R CA -2.147 53.945 56.100 -0.012 0.000 0.912 59 R CB 1.614 31.908 30.300 -0.009 0.000 1.187 59 R HN 0.001 nan 8.270 nan 0.000 0.464 60 P HA 0.127 nan 4.420 nan 0.000 0.247 60 P C -0.365 176.877 177.300 -0.096 0.000 1.756 60 P CA 0.177 63.237 63.100 -0.066 0.000 1.117 60 P CB 0.428 32.080 31.700 -0.080 0.000 1.869 61 M N 0.786 120.350 119.600 -0.060 0.000 2.691 61 M HA 0.045 4.525 4.480 -0.000 0.000 0.261 61 M C 1.794 178.045 176.300 -0.082 0.000 1.227 61 M CA 0.927 56.191 55.300 -0.059 0.000 1.197 61 M CB -0.159 32.438 32.600 -0.004 0.000 1.294 61 M HN 0.105 nan 8.290 nan 0.000 0.508 62 Y N 0.589 120.795 120.300 -0.157 0.000 2.301 62 Y HA 0.253 4.802 4.550 -0.000 0.000 0.295 62 Y C 1.309 177.033 175.900 -0.294 0.000 1.119 62 Y CA 0.847 58.845 58.100 -0.169 0.000 1.162 62 Y CB 0.561 38.966 38.460 -0.091 0.000 1.046 62 Y HN -0.076 nan 8.280 nan 0.000 0.538 63 R N -0.595 119.753 120.500 -0.252 0.000 3.145 63 R HA 0.119 4.459 4.340 -0.000 0.000 0.253 63 R C 1.117 177.233 176.300 -0.307 0.000 1.289 63 R CA 0.137 55.948 56.100 -0.482 0.000 1.030 63 R CB 0.641 30.768 30.300 -0.290 0.000 1.387 63 R HN 0.132 nan 8.270 nan 0.000 0.466 64 E N 0.843 120.902 120.200 -0.235 0.000 2.371 64 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 64 E C -0.600 175.969 176.600 -0.051 0.000 1.012 64 E CA 0.929 57.253 56.400 -0.127 0.000 0.860 64 E CB 0.291 29.977 29.700 -0.024 0.000 0.811 64 E HN 0.412 nan 8.360 nan 0.000 0.502 65 E N 1.318 121.502 120.200 -0.027 0.000 2.313 65 E HA 0.260 4.610 4.350 -0.000 0.000 0.272 65 E C -0.415 176.178 176.600 -0.011 0.000 1.038 65 E CA -0.163 56.233 56.400 -0.006 0.000 0.863 65 E CB 1.312 31.021 29.700 0.016 0.000 1.060 65 E HN 0.235 nan 8.360 nan 0.000 0.402 66 T N -1.010 113.535 114.554 -0.015 0.000 2.887 66 T HA 0.371 4.721 4.350 -0.000 0.000 0.288 66 T C 1.119 175.808 174.700 -0.018 0.000 1.021 66 T CA -0.747 61.344 62.100 -0.016 0.000 1.000 66 T CB 0.893 69.749 68.868 -0.020 0.000 1.034 66 T HN 0.393 nan 8.240 nan 0.000 0.467 67 I N 1.499 122.060 120.570 -0.015 0.000 2.151 67 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 67 I C 2.965 179.068 176.117 -0.025 0.000 1.080 67 I CA 2.062 63.351 61.300 -0.017 0.000 1.339 67 I CB -0.626 37.366 38.000 -0.013 0.000 1.039 67 I HN 0.930 nan 8.210 nan 0.000 0.409 68 A N 0.630 123.435 122.820 -0.025 0.000 1.883 68 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 68 A C 2.436 179.994 177.584 -0.045 0.000 1.186 68 A CA 2.090 54.108 52.037 -0.031 0.000 0.624 68 A CB -1.558 17.426 19.000 -0.027 0.000 0.822 68 A HN 0.489 nan 8.150 nan 0.000 0.444 69 G N -0.756 108.017 108.800 -0.045 0.000 2.418 69 G HA2 0.005 3.965 3.960 -0.000 0.000 0.217 69 G HA3 0.005 3.965 3.960 -0.000 0.000 0.217 69 G C 1.723 176.571 174.900 -0.087 0.000 1.158 69 G CA 1.514 46.577 45.100 -0.063 0.000 0.771 69 G HN 0.845 nan 8.290 nan 0.000 0.545 70 A N 0.263 123.044 122.820 -0.065 0.000 1.929 70 A HA 0.245 4.565 4.320 -0.000 0.000 0.216 70 A C 2.396 179.926 177.584 -0.090 0.000 1.176 70 A CA 0.892 52.886 52.037 -0.071 0.000 0.628 70 A CB -0.262 18.724 19.000 -0.024 0.000 0.816 70 A HN 0.339 nan 8.150 nan 0.000 0.444 71 L N -0.671 120.513 121.223 -0.066 0.000 2.156 71 L HA -0.137 4.202 4.340 -0.000 0.000 0.208 71 L C 2.284 179.100 176.870 -0.090 0.000 1.095 71 L CA 1.699 56.504 54.840 -0.058 0.000 0.770 71 L CB -0.557 41.486 42.059 -0.027 0.000 0.914 71 L HN 0.493 nan 8.230 nan 0.000 0.439 72 D N 0.370 120.708 120.400 -0.103 0.000 2.144 72 D HA -0.215 4.424 4.640 -0.000 0.000 0.200 72 D C 2.101 178.277 176.300 -0.207 0.000 0.978 72 D CA 0.723 54.649 54.000 -0.124 0.000 0.833 72 D CB 0.169 40.906 40.800 -0.105 0.000 0.961 72 D HN 0.098 nan 8.370 nan 0.000 0.470 73 L N 0.067 121.126 121.223 -0.274 0.000 2.093 73 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 73 L C 1.981 178.513 176.870 -0.563 0.000 1.085 73 L CA 1.347 55.897 54.840 -0.485 0.000 0.755 73 L CB -0.486 41.246 42.059 -0.545 0.000 0.904 73 L HN 0.195 nan 8.230 nan 0.000 0.435 74 L N -0.294 120.729 121.223 -0.334 0.000 2.005 74 L HA -0.192 4.147 4.340 -0.000 0.000 0.207 74 L C 2.850 179.598 176.870 -0.202 0.000 1.072 74 L CA 1.843 56.574 54.840 -0.183 0.000 0.744 74 L CB -0.530 41.492 42.059 -0.061 0.000 0.895 74 L HN 0.368 nan 8.230 nan 0.000 0.433 75 R N -0.214 120.148 120.500 -0.230 0.000 2.148 75 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 75 R C 1.937 178.096 176.300 -0.235 0.000 1.088 75 R CA 1.270 57.167 56.100 -0.337 0.000 0.985 75 R CB -0.693 29.469 30.300 -0.230 0.000 0.880 75 R HN 0.272 nan 8.270 nan 0.000 0.451 76 G N -0.700 107.979 108.800 -0.202 0.000 2.744 76 G HA2 0.025 3.985 3.960 -0.000 0.000 0.211 76 G HA3 0.025 3.985 3.960 -0.000 0.000 0.211 76 G C 0.664 175.465 174.900 -0.166 0.000 1.146 76 G CA 0.756 45.758 45.100 -0.164 0.000 0.787 76 G HN 0.366 nan 8.290 nan 0.000 0.534 77 T N -0.729 113.699 114.554 -0.210 0.000 3.601 77 T HA 0.154 4.504 4.350 -0.000 0.000 0.242 77 T C 1.577 176.301 174.700 0.040 0.000 0.958 77 T CA -0.276 61.720 62.100 -0.174 0.000 1.120 77 T CB -0.133 68.452 68.868 -0.471 0.000 1.154 77 T HN -0.053 nan 8.240 nan 0.000 0.375 78 F N 2.266 122.158 119.950 -0.097 0.000 2.102 78 F HA 0.196 4.722 4.527 -0.001 0.000 0.298 78 F C 2.230 178.007 175.800 -0.038 0.000 1.105 78 F CA 0.497 58.470 58.000 -0.046 0.000 1.239 78 F CB -1.232 37.736 39.000 -0.052 0.000 0.991 78 F HN 0.091 nan 8.300 nan 0.000 0.474 79 L N -0.451 120.837 121.223 0.107 0.000 2.027 79 L HA -0.133 4.206 4.340 -0.000 0.000 0.206 79 L C -0.241 176.654 176.870 0.042 0.000 1.074 79 L CA 1.248 56.108 54.840 0.033 0.000 0.745 79 L CB -2.086 39.913 42.059 -0.101 0.000 0.898 79 L HN 0.047 nan 8.230 nan 0.000 0.433 80 P HA -0.206 nan 4.420 nan 0.000 0.216 80 P C 1.316 178.667 177.300 0.084 0.000 1.150 80 P CA 1.819 64.945 63.100 0.043 0.000 0.843 80 P CB 0.002 31.715 31.700 0.022 0.000 0.787 81 A N -0.981 121.908 122.820 0.115 0.000 2.119 81 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 81 A C 1.936 179.623 177.584 0.172 0.000 1.153 81 A CA 1.149 53.270 52.037 0.140 0.000 0.692 81 A CB -1.187 17.918 19.000 0.174 0.000 0.799 81 A HN 0.379 nan 8.150 nan 0.000 0.458 82 I N -4.612 116.065 120.570 0.178 0.000 4.139 82 I HA 0.341 4.511 4.170 -0.000 0.000 0.320 82 I C 0.136 176.410 176.117 0.262 0.000 1.290 82 I CA -0.332 61.142 61.300 0.291 0.000 1.253 82 I CB 0.004 38.103 38.000 0.164 0.000 1.122 82 I HN -0.098 nan 8.210 nan 0.000 0.421 83 L N 3.755 125.076 121.223 0.164 0.000 2.513 83 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 83 L C 1.373 178.303 176.870 0.100 0.000 1.187 83 L CA 1.144 56.067 54.840 0.138 0.000 0.895 83 L CB 0.428 42.556 42.059 0.115 0.000 1.147 83 L HN 0.642 nan 8.230 nan 0.000 0.483 84 G N 1.867 110.721 108.800 0.091 0.000 2.162 84 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 84 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 84 G C 0.274 175.156 174.900 -0.032 0.000 0.976 84 G CA -0.236 44.886 45.100 0.037 0.000 0.655 84 G HN 0.550 nan 8.290 nan 0.000 0.533 85 Q N -0.017 119.748 119.800 -0.060 0.000 2.193 85 Q HA 0.659 4.998 4.340 -0.000 0.000 0.246 85 Q C -0.268 175.364 176.000 -0.613 0.000 0.959 85 Q CA -0.053 55.544 55.803 -0.343 0.000 0.904 85 Q CB 1.507 29.979 28.738 -0.444 0.000 1.238 85 Q HN 0.203 nan 8.270 nan 0.000 0.469 86 T N 1.422 115.462 114.554 -0.857 0.000 2.807 86 T HA 0.675 5.025 4.350 -0.000 0.000 0.279 86 T C -0.888 173.173 174.700 -1.065 0.000 0.993 86 T CA -0.321 61.332 62.100 -0.745 0.000 0.970 86 T CB 0.322 68.973 68.868 -0.361 0.000 0.950 86 T HN 0.255 nan 8.240 nan 0.000 0.441 87 F N 0.387 119.987 119.950 -0.583 0.000 2.576 87 F HA 0.601 5.128 4.527 -0.001 0.000 0.313 87 F C 0.998 176.313 175.800 -0.808 0.000 1.078 87 F CA -1.241 56.320 58.000 -0.732 0.000 0.921 87 F CB 1.684 40.106 39.000 -0.965 0.000 1.232 87 F HN 0.648 nan 8.300 nan 0.000 0.459 88 A N 2.188 124.804 122.820 -0.339 0.000 2.021 88 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 88 A C 0.237 177.528 177.584 -0.488 0.000 1.163 88 A CA 0.945 52.809 52.037 -0.287 0.000 0.676 88 A CB -0.520 18.376 19.000 -0.174 0.000 0.818 88 A HN 0.871 nan 8.150 nan 0.000 0.453 89 N N -3.533 114.848 118.700 -0.532 0.000 3.185 89 N HA 0.193 4.932 4.740 -0.000 0.000 0.238 89 N C -3.056 172.114 175.510 -0.566 0.000 1.451 89 N CA -1.371 51.192 53.050 -0.811 0.000 0.888 89 N CB 0.731 38.735 38.487 -0.805 0.000 1.413 89 N HN -0.308 nan 8.380 nan 0.000 0.511 90 P HA -0.088 nan 4.420 nan 0.000 0.218 90 P C 0.658 177.648 177.300 -0.516 0.000 1.148 90 P CA 1.400 64.041 63.100 -0.765 0.000 0.822 90 P CB 0.170 30.885 31.700 -1.641 0.000 0.784 91 E N -0.148 119.797 120.200 -0.426 0.000 2.085 91 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 91 E C 2.145 178.623 176.600 -0.202 0.000 0.994 91 E CA 1.628 57.902 56.400 -0.210 0.000 0.801 91 E CB -1.069 28.560 29.700 -0.119 0.000 0.743 91 E HN 0.150 nan 8.360 nan 0.000 0.453 92 A N 0.348 123.033 122.820 -0.226 0.000 1.972 92 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 92 A C 2.398 179.853 177.584 -0.215 0.000 1.169 92 A CA 1.177 53.134 52.037 -0.133 0.000 0.635 92 A CB -0.476 18.490 19.000 -0.058 0.000 0.810 92 A HN 0.148 nan 8.150 nan 0.000 0.446 93 V N -0.061 119.560 119.914 -0.489 0.000 2.307 93 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 93 V C 2.763 178.599 176.094 -0.430 0.000 1.045 93 V CA 2.254 64.082 62.300 -0.786 0.000 1.024 93 V CB -0.943 30.417 31.823 -0.772 0.000 0.651 93 V HN 0.567 nan 8.190 nan 0.000 0.449 94 S N 0.281 115.799 115.700 -0.304 0.000 2.359 94 S HA -0.304 4.166 4.470 -0.000 0.000 0.224 94 S C 1.821 176.316 174.600 -0.174 0.000 1.035 94 S CA 1.970 60.036 58.200 -0.223 0.000 1.018 94 S CB -0.560 62.555 63.200 -0.141 0.000 0.876 94 S HN 0.786 nan 8.310 nan 0.000 0.448 95 D N 1.571 121.891 120.400 -0.133 0.000 2.182 95 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 95 D C 1.704 177.969 176.300 -0.058 0.000 0.986 95 D CA 1.132 55.084 54.000 -0.080 0.000 0.847 95 D CB -0.244 40.522 40.800 -0.057 0.000 0.942 95 D HN 0.387 nan 8.370 nan 0.000 0.467 96 A N -0.467 122.320 122.820 -0.056 0.000 2.206 96 A HA 0.116 4.436 4.320 -0.000 0.000 0.211 96 A C 2.050 179.639 177.584 0.008 0.000 1.158 96 A CA 0.205 52.253 52.037 0.019 0.000 0.761 96 A CB -0.427 18.660 19.000 0.145 0.000 0.801 96 A HN 0.366 nan 8.150 nan 0.000 0.473 97 L N -1.197 119.981 121.223 -0.074 0.000 2.395 97 L HA 0.244 4.584 4.340 -0.000 0.000 0.218 97 L C 1.382 178.327 176.870 0.126 0.000 1.130 97 L CA 0.549 55.354 54.840 -0.058 0.000 0.826 97 L CB -0.653 41.131 42.059 -0.459 0.000 0.941 97 L HN 0.586 nan 8.230 nan 0.000 0.451 98 G N -0.161 108.643 108.800 0.007 0.000 2.566 98 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.599 98 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.599 98 G C 0.245 175.053 174.900 -0.153 0.000 1.292 98 G CA -0.172 44.868 45.100 -0.101 0.000 0.922 98 G HN 0.177 nan 8.290 nan 0.000 0.514 99 S N -0.962 114.552 115.700 -0.310 0.000 2.614 99 S HA 0.407 4.877 4.470 -0.000 0.000 0.230 99 S C 0.750 175.265 174.600 -0.142 0.000 0.952 99 S CA 0.037 58.130 58.200 -0.178 0.000 0.949 99 S CB -0.273 62.840 63.200 -0.146 0.000 0.786 99 S HN 0.787 nan 8.310 nan 0.000 0.478 100 Y N 2.441 122.794 120.300 0.089 0.000 2.960 100 Y HA 0.014 4.564 4.550 -0.000 0.000 0.345 100 Y C 1.349 177.304 175.900 0.091 0.000 1.277 100 Y CA -0.071 58.091 58.100 0.104 0.000 1.508 100 Y CB 0.355 38.918 38.460 0.173 0.000 1.317 100 Y HN 0.139 nan 8.280 nan 0.000 0.639 101 R N 1.180 121.822 120.500 0.236 0.000 2.428 101 R HA 0.443 4.783 4.340 -0.000 0.000 0.294 101 R C 0.765 177.151 176.300 0.143 0.000 1.000 101 R CA 0.134 56.321 56.100 0.145 0.000 0.960 101 R CB 1.209 31.569 30.300 0.100 0.000 1.076 101 R HN 0.964 nan 8.270 nan 0.000 0.475 102 G N 2.292 111.162 108.800 0.117 0.000 2.574 102 G HA2 -0.436 3.523 3.960 -0.000 0.000 0.282 102 G HA3 -0.436 3.523 3.960 -0.000 0.000 0.282 102 G C -0.345 174.634 174.900 0.132 0.000 1.257 102 G CA 0.366 45.531 45.100 0.109 0.000 0.956 102 G HN 0.906 nan 8.290 nan 0.000 0.560 103 N N -0.848 117.919 118.700 0.110 0.000 2.725 103 N HA -0.188 4.552 4.740 -0.000 0.000 0.251 103 N C 1.280 176.878 175.510 0.147 0.000 1.031 103 N CA 1.173 54.293 53.050 0.117 0.000 0.720 103 N CB -0.366 38.192 38.487 0.117 0.000 0.930 103 N HN 0.685 nan 8.380 nan 0.000 0.543 104 R N -0.062 120.502 120.500 0.107 0.000 2.115 104 R HA 0.053 4.393 4.340 -0.000 0.000 0.226 104 R C 1.793 178.134 176.300 0.068 0.000 1.100 104 R CA 1.380 57.531 56.100 0.085 0.000 0.980 104 R CB -0.082 30.259 30.300 0.067 0.000 0.875 104 R HN 0.476 nan 8.270 nan 0.000 0.445 105 M N 0.022 119.660 119.600 0.064 0.000 2.159 105 M HA -0.096 4.383 4.480 -0.000 0.000 0.263 105 M C 2.508 178.840 176.300 0.053 0.000 1.063 105 M CA 1.620 56.944 55.300 0.040 0.000 1.110 105 M CB -0.315 32.305 32.600 0.034 0.000 1.374 105 M HN 0.191 nan 8.290 nan 0.000 0.411 106 A N 0.826 123.705 122.820 0.099 0.000 1.877 106 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 106 A C 2.168 179.896 177.584 0.240 0.000 1.186 106 A CA 1.643 53.776 52.037 0.160 0.000 0.620 106 A CB -0.652 18.446 19.000 0.162 0.000 0.822 106 A HN 0.422 nan 8.150 nan 0.000 0.443 107 R N -0.555 120.085 120.500 0.234 0.000 2.105 107 R HA -0.097 4.242 4.340 -0.000 0.000 0.239 107 R C 2.387 178.663 176.300 -0.041 0.000 1.135 107 R CA 1.168 57.262 56.100 -0.010 0.000 0.967 107 R CB -0.455 29.796 30.300 -0.082 0.000 0.861 107 R HN 0.528 nan 8.270 nan 0.000 0.442 108 A N 0.836 123.653 122.820 -0.005 0.000 1.969 108 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 108 A C 2.117 179.668 177.584 -0.054 0.000 1.169 108 A CA 1.175 53.188 52.037 -0.039 0.000 0.635 108 A CB -0.361 18.606 19.000 -0.054 0.000 0.810 108 A HN 0.194 nan 8.150 nan 0.000 0.445 109 M N -0.714 118.871 119.600 -0.025 0.000 2.080 109 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 109 M C 2.098 178.387 176.300 -0.018 0.000 1.068 109 M CA 1.643 56.925 55.300 -0.029 0.000 1.109 109 M CB -0.492 32.112 32.600 0.007 0.000 1.342 109 M HN 0.276 nan 8.290 nan 0.000 0.405 110 V N -0.129 119.781 119.914 -0.007 0.000 2.307 110 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 110 V C 2.398 178.463 176.094 -0.049 0.000 1.045 110 V CA 1.829 64.110 62.300 -0.032 0.000 1.024 110 V CB -0.803 30.974 31.823 -0.077 0.000 0.651 110 V HN 0.479 nan 8.190 nan 0.000 0.449 111 E N -0.077 120.094 120.200 -0.050 0.000 2.072 111 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 111 E C 2.182 178.880 176.600 0.163 0.000 0.985 111 E CA 1.579 57.979 56.400 0.001 0.000 0.801 111 E CB -0.079 29.637 29.700 0.027 0.000 0.750 111 E HN 0.573 nan 8.360 nan 0.000 0.452 112 M N -0.328 119.347 119.600 0.125 0.000 2.236 112 M HA -0.034 4.445 4.480 -0.000 0.000 0.266 112 M C 2.402 178.874 176.300 0.287 0.000 1.070 112 M CA 1.189 56.621 55.300 0.221 0.000 1.137 112 M CB -0.101 32.379 32.600 -0.200 0.000 1.378 112 M HN 0.066 nan 8.290 nan 0.000 0.426 113 A N 0.607 123.499 122.820 0.119 0.000 1.933 113 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 113 A C 2.369 180.010 177.584 0.096 0.000 1.175 113 A CA 1.861 53.967 52.037 0.115 0.000 0.628 113 A CB -0.889 18.134 19.000 0.039 0.000 0.814 113 A HN 0.475 nan 8.150 nan 0.000 0.444 114 A N -1.443 121.406 122.820 0.048 0.000 1.902 114 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 114 A C 1.980 179.537 177.584 -0.045 0.000 1.181 114 A CA 1.345 53.356 52.037 -0.044 0.000 0.623 114 A CB -0.892 18.032 19.000 -0.126 0.000 0.818 114 A HN 0.748 nan 8.150 nan 0.000 0.443 115 W N -0.096 121.260 121.300 0.093 0.000 2.358 115 W HA -0.154 4.506 4.660 -0.001 0.000 0.303 115 W C 2.056 178.625 176.519 0.083 0.000 1.208 115 W CA 1.320 58.754 57.345 0.149 0.000 1.274 115 W CB -0.151 29.439 29.460 0.216 0.000 1.138 115 W HN 0.451 nan 8.180 nan 0.000 0.515 116 D N 0.014 120.597 120.400 0.305 0.000 2.117 116 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 116 D C 2.005 178.315 176.300 0.017 0.000 0.987 116 D CA 1.285 55.352 54.000 0.112 0.000 0.829 116 D CB -0.358 40.514 40.800 0.121 0.000 0.961 116 D HN 0.049 nan 8.370 nan 0.000 0.460 117 L N 0.240 121.453 121.223 -0.016 0.000 2.027 117 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 117 L C 2.195 178.952 176.870 -0.187 0.000 1.074 117 L CA 1.632 56.403 54.840 -0.114 0.000 0.745 117 L CB -0.914 41.054 42.059 -0.152 0.000 0.898 117 L HN 0.349 nan 8.230 nan 0.000 0.433 118 W N 0.514 121.510 121.300 -0.506 0.000 2.335 118 W HA -0.274 4.386 4.660 -0.000 0.000 0.311 118 W C 2.051 178.441 176.519 -0.215 0.000 1.213 118 W CA 1.661 58.673 57.345 -0.555 0.000 1.274 118 W CB -0.207 28.925 29.460 -0.546 0.000 1.148 118 W HN 0.351 nan 8.180 nan 0.000 0.498 119 A N 1.182 123.877 122.820 -0.208 0.000 1.972 119 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 119 A C 1.985 179.411 177.584 -0.264 0.000 1.169 119 A CA 1.702 53.562 52.037 -0.295 0.000 0.635 119 A CB -0.784 18.153 19.000 -0.106 0.000 0.810 119 A HN 0.422 nan 8.150 nan 0.000 0.446 120 R N -0.655 119.734 120.500 -0.185 0.000 2.193 120 R HA -0.042 4.297 4.340 -0.000 0.000 0.213 120 R C 2.309 178.522 176.300 -0.145 0.000 1.055 120 R CA 1.437 57.452 56.100 -0.141 0.000 0.995 120 R CB -0.379 29.866 30.300 -0.092 0.000 0.893 120 R HN 0.746 nan 8.270 nan 0.000 0.459 121 T N -1.251 113.193 114.554 -0.184 0.000 2.951 121 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 121 T C 1.709 176.290 174.700 -0.198 0.000 1.073 121 T CA 0.814 62.827 62.100 -0.144 0.000 1.134 121 T CB -0.034 68.781 68.868 -0.089 0.000 0.884 121 T HN 0.134 nan 8.240 nan 0.000 0.479 122 L N 0.312 121.335 121.223 -0.333 0.000 2.529 122 L HA 0.382 4.722 4.340 -0.000 0.000 0.223 122 L C 1.992 178.744 176.870 -0.198 0.000 1.113 122 L CA 0.380 55.030 54.840 -0.315 0.000 0.861 122 L CB -0.642 41.115 42.059 -0.502 0.000 1.012 122 L HN 0.560 nan 8.230 nan 0.000 0.461 123 G N 1.224 109.922 108.800 -0.169 0.000 2.198 123 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.257 123 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.257 123 G C -0.109 174.725 174.900 -0.111 0.000 1.042 123 G CA 0.163 45.194 45.100 -0.115 0.000 0.791 123 G HN 0.141 nan 8.290 nan 0.000 0.502 124 V N 0.341 120.169 119.914 -0.143 0.000 2.604 124 V HA 0.545 4.664 4.120 -0.000 0.000 0.305 124 V C -1.892 174.137 176.094 -0.109 0.000 1.043 124 V CA -2.035 60.197 62.300 -0.114 0.000 0.888 124 V CB 2.241 33.989 31.823 -0.126 0.000 0.995 124 V HN 0.075 nan 8.190 nan 0.000 0.429 125 P HA 0.006 nan 4.420 nan 0.000 0.265 125 P C 0.630 177.856 177.300 -0.124 0.000 1.187 125 P CA 0.000 63.068 63.100 -0.054 0.000 0.766 125 P CB 0.605 32.345 31.700 0.066 0.000 0.820 126 L N 4.536 125.552 121.223 -0.346 0.000 2.017 126 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 126 L C 2.221 178.943 176.870 -0.248 0.000 1.073 126 L CA 2.649 57.266 54.840 -0.371 0.000 0.745 126 L CB -1.653 40.013 42.059 -0.656 0.000 0.894 126 L HN 0.495 nan 8.230 nan 0.000 0.432 127 G N -1.841 106.955 108.800 -0.006 0.000 2.442 127 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 127 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 127 G C 1.444 176.324 174.900 -0.034 0.000 1.141 127 G CA 1.200 46.303 45.100 0.004 0.000 0.763 127 G HN 0.453 nan 8.290 nan 0.000 0.554 128 T N 1.207 115.765 114.554 0.007 0.000 2.746 128 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 128 T C 2.374 177.078 174.700 0.006 0.000 1.039 128 T CA 0.798 62.906 62.100 0.013 0.000 1.142 128 T CB -0.181 68.696 68.868 0.016 0.000 0.866 128 T HN 0.164 nan 8.240 nan 0.000 0.444 129 L N 0.368 121.589 121.223 -0.004 0.000 2.201 129 L HA 0.053 4.392 4.340 -0.000 0.000 0.212 129 L C 2.079 178.962 176.870 0.023 0.000 1.105 129 L CA 0.824 55.705 54.840 0.069 0.000 0.775 129 L CB -0.383 41.788 42.059 0.187 0.000 0.913 129 L HN 0.269 nan 8.230 nan 0.000 0.440 130 L N -0.960 120.182 121.223 -0.134 0.000 2.492 130 L HA 0.131 4.471 4.340 -0.000 0.000 0.223 130 L C 1.478 178.300 176.870 -0.081 0.000 1.132 130 L CA 0.699 55.415 54.840 -0.208 0.000 0.850 130 L CB -0.172 41.657 42.059 -0.382 0.000 0.966 130 L HN 0.456 nan 8.230 nan 0.000 0.454 131 G N -0.479 108.309 108.800 -0.020 0.000 2.184 131 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.206 131 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.206 131 G C 0.495 175.447 174.900 0.087 0.000 0.995 131 G CA -0.369 44.758 45.100 0.045 0.000 0.651 131 G HN 0.462 nan 8.290 nan 0.000 0.511 132 G N -0.422 108.392 108.800 0.022 0.000 2.467 132 G HA2 0.597 4.557 3.960 -0.000 0.000 0.257 132 G HA3 0.597 4.557 3.960 -0.000 0.000 0.257 132 G C 0.168 175.124 174.900 0.093 0.000 1.227 132 G CA 0.262 45.361 45.100 -0.000 0.000 0.835 132 G HN 1.291 nan 8.290 nan 0.000 0.556 133 H N -1.636 117.427 119.070 -0.011 0.000 3.007 133 H HA 0.357 4.913 4.556 -0.000 0.000 0.251 133 H C 0.327 175.647 175.328 -0.013 0.000 1.188 133 H CA -0.667 55.375 56.048 -0.010 0.000 1.017 133 H CB 0.064 29.827 29.762 0.002 0.000 1.805 133 H HN 0.302 nan 8.280 nan 0.000 0.659 134 K N 1.201 121.500 120.400 -0.168 0.000 2.295 134 K HA 0.088 4.408 4.320 -0.000 0.000 0.270 134 K C 0.173 176.729 176.600 -0.074 0.000 1.011 134 K CA 0.052 56.272 56.287 -0.111 0.000 0.953 134 K CB 1.137 33.565 32.500 -0.120 0.000 0.956 134 K HN 0.465 nan 8.250 nan 0.000 0.477 135 E N 1.123 121.291 120.200 -0.054 0.000 2.489 135 E HA -0.038 4.311 4.350 -0.000 0.000 0.204 135 E C -0.164 176.395 176.600 -0.068 0.000 1.006 135 E CA 0.037 56.404 56.400 -0.056 0.000 0.936 135 E CB 0.670 30.353 29.700 -0.028 0.000 1.002 135 E HN 0.502 nan 8.360 nan 0.000 0.488 136 Q N 0.186 119.948 119.800 -0.063 0.000 2.482 136 Q HA 0.500 4.839 4.340 -0.000 0.000 0.286 136 Q C -1.013 174.956 176.000 -0.051 0.000 1.007 136 Q CA -0.956 54.811 55.803 -0.059 0.000 0.801 136 Q CB 2.096 30.810 28.738 -0.039 0.000 1.455 136 Q HN -0.025 nan 8.270 nan 0.000 0.398 137 V N -1.989 117.900 119.914 -0.041 0.000 2.823 137 V HA 0.607 4.727 4.120 -0.000 0.000 0.312 137 V C -0.587 175.518 176.094 0.019 0.000 1.072 137 V CA -0.869 61.420 62.300 -0.018 0.000 0.937 137 V CB 1.896 33.692 31.823 -0.045 0.000 1.013 137 V HN 0.894 nan 8.190 nan 0.000 0.430 138 E N 1.878 122.107 120.200 0.047 0.000 2.331 138 E HA 0.593 4.942 4.350 -0.000 0.000 0.272 138 E C -0.596 176.060 176.600 0.093 0.000 1.036 138 E CA -0.471 55.965 56.400 0.060 0.000 0.864 138 E CB 2.020 31.756 29.700 0.059 0.000 1.035 138 E HN 0.937 nan 8.360 nan 0.000 0.408 139 V N -1.106 118.876 119.914 0.114 0.000 2.925 139 V HA 0.883 5.002 4.120 -0.000 0.000 0.311 139 V C 0.027 176.240 176.094 0.200 0.000 1.104 139 V CA -0.702 61.695 62.300 0.161 0.000 0.954 139 V CB 1.697 33.645 31.823 0.210 0.000 1.022 139 V HN 0.745 nan 8.190 nan 0.000 0.427 140 G N 0.369 109.220 108.800 0.084 0.000 3.251 140 G HA2 0.794 4.753 3.960 -0.000 0.000 0.248 140 G HA3 0.794 4.753 3.960 -0.000 0.000 0.248 140 G C -1.327 173.415 174.900 -0.263 0.000 1.320 140 G CA -0.737 44.343 45.100 -0.034 0.000 0.982 140 G HN 1.406 nan 8.290 nan 0.000 0.575 141 V N -0.848 118.847 119.914 -0.365 0.000 2.969 141 V HA 0.652 4.772 4.120 -0.000 0.000 0.304 141 V C -0.947 174.939 176.094 -0.346 0.000 1.192 141 V CA -0.635 61.365 62.300 -0.499 0.000 0.962 141 V CB 2.390 33.648 31.823 -0.942 0.000 1.045 141 V HN 0.763 nan 8.190 nan 0.000 0.428 142 S N 6.212 121.758 115.700 -0.256 0.000 2.456 142 S HA 0.708 5.177 4.470 -0.000 0.000 0.316 142 S C -0.724 173.769 174.600 -0.178 0.000 1.089 142 S CA -0.434 57.671 58.200 -0.159 0.000 1.101 142 S CB 0.954 64.133 63.200 -0.035 0.000 0.995 142 S HN 0.536 nan 8.310 nan 0.000 0.468 143 L N 2.694 123.820 121.223 -0.160 0.000 2.317 143 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 143 L C 1.164 178.018 176.870 -0.027 0.000 1.024 143 L CA -0.859 53.909 54.840 -0.121 0.000 0.810 143 L CB 1.139 43.120 42.059 -0.130 0.000 1.240 143 L HN 0.735 nan 8.230 nan 0.000 0.427 144 G N 2.382 111.182 108.800 0.000 0.000 2.583 144 G HA2 0.360 4.320 3.960 -0.000 0.000 0.275 144 G HA3 0.360 4.320 3.960 -0.000 0.000 0.275 144 G C -0.089 174.857 174.900 0.078 0.000 1.342 144 G CA -0.671 44.453 45.100 0.041 0.000 1.030 144 G HN 0.476 nan 8.290 nan 0.000 0.520 145 I N 0.867 121.496 120.570 0.099 0.000 2.471 145 I HA 0.109 4.279 4.170 -0.000 0.000 0.286 145 I C 0.333 176.512 176.117 0.103 0.000 1.079 145 I CA -0.278 61.115 61.300 0.156 0.000 1.398 145 I CB 1.173 39.258 38.000 0.141 0.000 1.403 145 I HN 0.223 nan 8.210 nan 0.000 0.530 146 Q N 4.039 123.945 119.800 0.176 0.000 2.185 146 Q HA 0.447 4.787 4.340 -0.000 0.000 0.225 146 Q C 0.882 176.871 176.000 -0.018 0.000 0.983 146 Q CA -0.367 55.499 55.803 0.105 0.000 0.950 146 Q CB 1.007 29.840 28.738 0.158 0.000 1.176 146 Q HN 0.737 nan 8.270 nan 0.000 0.510 147 A N 0.184 122.970 122.820 -0.058 0.000 1.970 147 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 147 A C -0.044 177.375 177.584 -0.276 0.000 1.170 147 A CA 1.737 53.661 52.037 -0.188 0.000 0.645 147 A CB -0.082 18.855 19.000 -0.106 0.000 0.816 147 A HN 0.753 nan 8.150 nan 0.000 0.447 148 D N -3.715 116.679 120.400 -0.010 0.000 2.692 148 D HA 0.170 4.809 4.640 -0.000 0.000 0.290 148 D C -0.064 176.508 176.300 0.454 0.000 1.281 148 D CA -0.445 53.659 54.000 0.174 0.000 0.804 148 D CB -0.218 40.622 40.800 0.067 0.000 1.331 148 D HN -0.001 nan 8.370 nan 0.000 0.432 149 E N -1.041 119.444 120.200 0.474 0.000 2.331 149 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 149 E C 1.025 177.708 176.600 0.139 0.000 1.008 149 E CA 1.214 57.758 56.400 0.240 0.000 0.843 149 E CB 0.142 29.916 29.700 0.124 0.000 0.761 149 E HN 0.357 nan 8.360 nan 0.000 0.507 150 Q N 0.167 120.045 119.800 0.129 0.000 2.304 150 Q HA 0.114 4.454 4.340 -0.000 0.000 0.204 150 Q C 1.927 177.980 176.000 0.089 0.000 0.936 150 Q CA 1.147 56.999 55.803 0.083 0.000 0.878 150 Q CB -0.103 28.669 28.738 0.057 0.000 0.983 150 Q HN 0.178 nan 8.270 nan 0.000 0.516 151 A N -0.341 122.536 122.820 0.095 0.000 1.933 151 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 151 A C 2.227 179.874 177.584 0.105 0.000 1.175 151 A CA 2.030 54.117 52.037 0.083 0.000 0.628 151 A CB -1.140 17.899 19.000 0.065 0.000 0.814 151 A HN 0.457 nan 8.150 nan 0.000 0.444 152 T N -0.243 114.398 114.554 0.145 0.000 2.607 152 T HA -0.167 4.182 4.350 -0.000 0.000 0.267 152 T C 1.876 176.647 174.700 0.118 0.000 1.049 152 T CA 1.902 64.087 62.100 0.141 0.000 1.162 152 T CB -0.519 68.451 68.868 0.170 0.000 0.863 152 T HN 0.162 nan 8.240 nan 0.000 0.424 153 V N 1.989 121.977 119.914 0.124 0.000 2.407 153 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 153 V C 2.312 178.517 176.094 0.186 0.000 1.055 153 V CA 1.724 64.126 62.300 0.170 0.000 1.049 153 V CB -0.602 31.292 31.823 0.119 0.000 0.662 153 V HN 0.456 nan 8.190 nan 0.000 0.455 154 D N -0.175 120.299 120.400 0.124 0.000 2.097 154 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 154 D C 1.985 178.345 176.300 0.100 0.000 0.989 154 D CA 1.029 55.090 54.000 0.103 0.000 0.827 154 D CB -0.290 40.550 40.800 0.066 0.000 0.966 154 D HN 0.320 nan 8.370 nan 0.000 0.456 155 L N 0.744 122.027 121.223 0.100 0.000 2.083 155 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 155 L C 2.265 179.235 176.870 0.167 0.000 1.083 155 L CA 1.153 56.066 54.840 0.120 0.000 0.752 155 L CB -0.391 41.739 42.059 0.119 0.000 0.899 155 L HN -0.130 nan 8.230 nan 0.000 0.433 156 V N -0.432 119.543 119.914 0.102 0.000 2.343 156 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 156 V C 2.749 178.793 176.094 -0.085 0.000 1.051 156 V CA 1.942 64.234 62.300 -0.014 0.000 1.036 156 V CB -0.622 31.145 31.823 -0.092 0.000 0.654 156 V HN 0.502 nan 8.190 nan 0.000 0.451 157 R N -0.125 120.420 120.500 0.075 0.000 2.083 157 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 157 R C 2.471 178.789 176.300 0.030 0.000 1.137 157 R CA 1.863 58.051 56.100 0.147 0.000 0.951 157 R CB -0.236 30.224 30.300 0.267 0.000 0.851 157 R HN 0.294 nan 8.270 nan 0.000 0.434 158 R N -0.662 119.834 120.500 -0.007 0.000 2.133 158 R HA -0.194 4.145 4.340 -0.000 0.000 0.245 158 R C 2.152 178.344 176.300 -0.181 0.000 1.137 158 R CA 2.483 58.504 56.100 -0.132 0.000 0.947 158 R CB -0.625 29.518 30.300 -0.262 0.000 0.865 158 R HN 0.510 nan 8.270 nan 0.000 0.437 159 H N -1.521 117.546 119.070 -0.005 0.000 2.403 159 H HA 0.041 4.597 4.556 -0.000 0.000 0.298 159 H C 1.835 177.193 175.328 0.050 0.000 1.059 159 H CA 1.220 57.309 56.048 0.068 0.000 1.363 159 H CB 0.126 29.889 29.762 0.002 0.000 1.410 159 H HN -0.045 nan 8.280 nan 0.000 0.528 160 V N 0.787 120.705 119.914 0.007 0.000 2.515 160 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 160 V C 1.705 177.782 176.094 -0.029 0.000 1.058 160 V CA 1.737 63.990 62.300 -0.080 0.000 1.064 160 V CB -0.263 31.372 31.823 -0.313 0.000 0.675 160 V HN 0.502 nan 8.190 nan 0.000 0.461 161 E N -0.575 119.615 120.200 -0.016 0.000 2.427 161 E HA -0.120 4.229 4.350 -0.000 0.000 0.196 161 E C 1.915 178.486 176.600 -0.049 0.000 1.028 161 E CA 0.251 56.641 56.400 -0.017 0.000 0.864 161 E CB 0.044 29.740 29.700 -0.007 0.000 0.813 161 E HN 0.488 nan 8.360 nan 0.000 0.514 162 Q N -0.686 119.080 119.800 -0.058 0.000 2.403 162 Q HA 0.057 4.396 4.340 -0.000 0.000 0.203 162 Q C 1.146 177.007 176.000 -0.232 0.000 0.932 162 Q CA 0.649 56.371 55.803 -0.136 0.000 0.945 162 Q CB 1.002 29.670 28.738 -0.117 0.000 1.045 162 Q HN 0.407 nan 8.270 nan 0.000 0.511 163 G N 0.370 109.089 108.800 -0.135 0.000 2.148 163 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.254 163 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.254 163 G C -0.121 174.697 174.900 -0.137 0.000 0.981 163 G CA -0.033 44.989 45.100 -0.130 0.000 0.670 163 G HN 0.374 nan 8.290 nan 0.000 0.528 164 Y N -0.194 120.089 120.300 -0.028 0.000 2.702 164 Y HA 0.219 4.769 4.550 -0.000 0.000 0.336 164 Y C 2.028 177.894 175.900 -0.057 0.000 1.235 164 Y CA 0.615 58.695 58.100 -0.032 0.000 1.492 164 Y CB 0.420 38.866 38.460 -0.023 0.000 1.308 164 Y HN 0.114 nan 8.280 nan 0.000 0.589 165 R N 1.267 121.843 120.500 0.127 0.000 2.362 165 R HA 0.141 4.480 4.340 -0.000 0.000 0.227 165 R C 0.120 176.408 176.300 -0.020 0.000 0.905 165 R CA 0.056 56.174 56.100 0.031 0.000 1.067 165 R CB 0.486 30.802 30.300 0.026 0.000 1.078 165 R HN 0.398 nan 8.270 nan 0.000 0.516 166 R N 1.130 121.605 120.500 -0.042 0.000 2.626 166 R HA 0.281 4.620 4.340 -0.000 0.000 0.274 166 R C -1.702 174.500 176.300 -0.163 0.000 1.031 166 R CA -0.488 55.532 56.100 -0.132 0.000 0.898 166 R CB 1.399 31.581 30.300 -0.196 0.000 1.222 166 R HN -0.067 nan 8.270 nan 0.000 0.455 167 I N 3.333 123.786 120.570 -0.196 0.000 2.378 167 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 167 I C -0.065 175.917 176.117 -0.225 0.000 0.992 167 I CA -0.737 60.434 61.300 -0.214 0.000 1.154 167 I CB 1.680 39.557 38.000 -0.205 0.000 1.315 167 I HN 0.464 nan 8.210 nan 0.000 0.448 168 K N 7.223 127.495 120.400 -0.214 0.000 2.339 168 K HA 0.594 4.914 4.320 -0.000 0.000 0.264 168 K C -1.307 175.226 176.600 -0.112 0.000 0.986 168 K CA -0.526 55.660 56.287 -0.167 0.000 0.866 168 K CB 1.237 33.656 32.500 -0.137 0.000 1.103 168 K HN 0.539 nan 8.250 nan 0.000 0.441 169 L N 4.194 125.367 121.223 -0.083 0.000 2.289 169 L HA 0.391 4.731 4.340 -0.000 0.000 0.285 169 L C 0.297 177.178 176.870 0.017 0.000 1.049 169 L CA -0.757 54.061 54.840 -0.036 0.000 0.804 169 L CB 1.297 43.328 42.059 -0.046 0.000 1.195 169 L HN 0.557 nan 8.230 nan 0.000 0.428 170 K N 4.399 124.832 120.400 0.055 0.000 2.295 170 K HA 0.501 4.820 4.320 -0.000 0.000 0.270 170 K C -0.563 176.117 176.600 0.134 0.000 1.011 170 K CA -0.266 56.083 56.287 0.103 0.000 0.953 170 K CB 0.838 33.404 32.500 0.110 0.000 0.956 170 K HN 0.628 nan 8.250 nan 0.000 0.477 171 I N -0.529 120.143 120.570 0.169 0.000 3.264 171 I HA 0.600 4.770 4.170 -0.000 0.000 0.315 171 I C -1.402 174.871 176.117 0.259 0.000 1.154 171 I CA -1.089 60.337 61.300 0.210 0.000 0.962 171 I CB 2.246 40.352 38.000 0.176 0.000 1.265 171 I HN 0.662 nan 8.210 nan 0.000 0.463 172 K N 1.024 121.582 120.400 0.263 0.000 2.579 172 K HA 0.587 4.906 4.320 -0.000 0.000 0.284 172 K C -3.298 173.339 176.600 0.061 0.000 0.990 172 K CA -1.700 54.651 56.287 0.108 0.000 0.880 172 K CB 1.685 34.236 32.500 0.085 0.000 1.488 172 K HN 0.263 nan 8.250 nan 0.000 0.425 173 P HA 0.007 nan 4.420 nan 0.000 0.261 173 P C 0.580 177.916 177.300 0.059 0.000 1.183 173 P CA 1.844 64.875 63.100 -0.115 0.000 0.761 173 P CB 0.480 32.042 31.700 -0.230 0.000 0.785 174 G N 2.553 111.433 108.800 0.134 0.000 2.527 174 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.218 174 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.218 174 G C -0.408 174.688 174.900 0.327 0.000 1.177 174 G CA -0.336 44.875 45.100 0.185 0.000 0.695 174 G HN 0.569 nan 8.290 nan 0.000 0.517 175 W N 2.991 124.323 121.300 0.054 0.000 2.351 175 W HA 0.500 5.160 4.660 -0.000 0.000 0.320 175 W C 0.249 176.824 176.519 0.093 0.000 0.947 175 W CA 0.345 57.725 57.345 0.059 0.000 1.565 175 W CB 0.603 30.086 29.460 0.039 0.000 1.409 175 W HN 0.527 nan 8.180 nan 0.000 0.399 176 D N -0.143 120.186 120.400 -0.118 0.000 2.548 176 D HA -0.068 4.572 4.640 -0.000 0.000 0.223 176 D C 1.429 177.615 176.300 -0.190 0.000 1.346 176 D CA 0.093 54.028 54.000 -0.108 0.000 1.318 176 D CB 0.102 40.969 40.800 0.112 0.000 1.669 176 D HN -0.010 nan 8.370 nan 0.000 0.416 177 V N 0.838 120.686 119.914 -0.110 0.000 2.490 177 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 177 V C 2.214 178.172 176.094 -0.226 0.000 1.061 177 V CA 2.173 64.434 62.300 -0.065 0.000 1.064 177 V CB -0.769 31.074 31.823 0.033 0.000 0.670 177 V HN 0.154 nan 8.190 nan 0.000 0.461 178 Q N 0.217 119.782 119.800 -0.393 0.000 1.994 178 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 178 Q C 0.033 175.695 176.000 -0.564 0.000 0.976 178 Q CA 1.789 57.300 55.803 -0.486 0.000 0.828 178 Q CB -1.644 26.731 28.738 -0.605 0.000 0.894 178 Q HN 0.504 nan 8.270 nan 0.000 0.432 179 P HA -0.151 nan 4.420 nan 0.000 0.218 179 P C 1.195 178.301 177.300 -0.323 0.000 1.148 179 P CA 1.204 64.011 63.100 -0.488 0.000 0.822 179 P CB 0.053 31.441 31.700 -0.521 0.000 0.784 180 V N 0.589 120.293 119.914 -0.350 0.000 2.323 180 V HA -0.163 3.956 4.120 -0.000 0.000 0.244 180 V C 3.007 178.779 176.094 -0.537 0.000 1.041 180 V CA 1.690 63.800 62.300 -0.317 0.000 1.025 180 V CB -1.042 30.661 31.823 -0.200 0.000 0.656 180 V HN 0.066 nan 8.190 nan 0.000 0.451 181 R N 0.249 120.328 120.500 -0.701 0.000 2.073 181 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 181 R C 2.261 178.282 176.300 -0.466 0.000 1.134 181 R CA 1.846 57.394 56.100 -0.921 0.000 0.952 181 R CB -0.418 29.558 30.300 -0.541 0.000 0.850 181 R HN 0.478 nan 8.270 nan 0.000 0.433 182 A N 0.049 122.693 122.820 -0.294 0.000 1.855 182 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 182 A C 2.231 179.749 177.584 -0.111 0.000 1.191 182 A CA 1.920 53.860 52.037 -0.162 0.000 0.613 182 A CB -1.013 17.927 19.000 -0.101 0.000 0.829 182 A HN 0.446 nan 8.150 nan 0.000 0.442 183 T N -0.416 114.087 114.554 -0.086 0.000 2.665 183 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 183 T C 2.151 176.893 174.700 0.070 0.000 1.035 183 T CA 2.027 64.157 62.100 0.049 0.000 1.151 183 T CB -0.262 68.609 68.868 0.004 0.000 0.862 183 T HN 0.500 nan 8.240 nan 0.000 0.438 184 R N 1.260 121.710 120.500 -0.083 0.000 2.081 184 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 184 R C 2.190 178.466 176.300 -0.039 0.000 1.131 184 R CA 1.716 57.786 56.100 -0.050 0.000 0.960 184 R CB -0.602 29.617 30.300 -0.135 0.000 0.856 184 R HN 0.501 nan 8.270 nan 0.000 0.436 185 E N -0.325 119.815 120.200 -0.101 0.000 2.033 185 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 185 E C 1.917 178.435 176.600 -0.137 0.000 1.011 185 E CA 1.732 58.077 56.400 -0.092 0.000 0.815 185 E CB -0.318 29.322 29.700 -0.100 0.000 0.755 185 E HN 0.474 nan 8.360 nan 0.000 0.451 186 A N 0.818 123.508 122.820 -0.217 0.000 1.873 186 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 186 A C 0.785 177.963 177.584 -0.676 0.000 1.193 186 A CA 1.370 53.103 52.037 -0.507 0.000 0.629 186 A CB -0.465 18.122 19.000 -0.689 0.000 0.826 186 A HN 0.224 nan 8.150 nan 0.000 0.447 187 F N -0.659 119.270 119.950 -0.035 0.000 2.359 187 F HA 0.371 4.898 4.527 -0.000 0.000 0.370 187 F C -1.897 173.886 175.800 -0.028 0.000 1.077 187 F CA -2.225 55.758 58.000 -0.027 0.000 1.136 187 F CB 1.421 40.406 39.000 -0.026 0.000 1.387 187 F HN 0.068 nan 8.300 nan 0.000 0.468 188 P HA 0.009 nan 4.420 nan 0.000 0.249 188 P C 0.239 177.576 177.300 0.062 0.000 1.229 188 P CA 0.885 64.022 63.100 0.062 0.000 0.788 188 P CB 0.630 32.346 31.700 0.027 0.000 1.072 189 D N -0.415 120.033 120.400 0.079 0.000 2.498 189 D HA 0.125 4.764 4.640 -0.000 0.000 0.223 189 D C 1.248 177.571 176.300 0.038 0.000 1.125 189 D CA -0.075 53.956 54.000 0.051 0.000 0.835 189 D CB 0.956 41.784 40.800 0.047 0.000 1.086 189 D HN 0.271 nan 8.370 nan 0.000 0.510 190 I N -0.281 120.319 120.570 0.050 0.000 3.060 190 I HA 0.192 4.362 4.170 -0.000 0.000 0.285 190 I C 0.509 176.604 176.117 -0.037 0.000 1.190 190 I CA -0.709 60.586 61.300 -0.008 0.000 1.363 190 I CB 0.694 38.655 38.000 -0.065 0.000 1.396 190 I HN -0.301 nan 8.210 nan 0.000 0.607 191 R N 4.452 124.911 120.500 -0.068 0.000 2.210 191 R HA 0.504 4.843 4.340 -0.000 0.000 0.338 191 R C -1.456 174.753 176.300 -0.151 0.000 1.062 191 R CA -0.489 55.551 56.100 -0.100 0.000 0.902 191 R CB 0.685 30.926 30.300 -0.098 0.000 1.050 191 R HN 0.727 nan 8.270 nan 0.000 0.461 192 L N 4.501 125.628 121.223 -0.160 0.000 2.341 192 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 192 L C -0.732 175.974 176.870 -0.273 0.000 1.005 192 L CA 0.042 54.771 54.840 -0.184 0.000 0.818 192 L CB 2.142 44.132 42.059 -0.114 0.000 1.259 192 L HN 0.936 nan 8.230 nan 0.000 0.418 193 T N 2.022 116.378 114.554 -0.331 0.000 2.901 193 T HA 0.833 5.183 4.350 -0.000 0.000 0.293 193 T C -0.593 173.971 174.700 -0.227 0.000 1.084 193 T CA -0.337 61.503 62.100 -0.433 0.000 1.008 193 T CB 1.589 69.956 68.868 -0.837 0.000 1.170 193 T HN 0.779 nan 8.240 nan 0.000 0.509 194 V N -0.996 118.835 119.914 -0.139 0.000 2.864 194 V HA 0.781 4.901 4.120 -0.000 0.000 0.314 194 V C -1.239 174.906 176.094 0.085 0.000 1.073 194 V CA -0.921 61.365 62.300 -0.022 0.000 0.956 194 V CB 1.840 33.657 31.823 -0.011 0.000 1.023 194 V HN 0.994 nan 8.190 nan 0.000 0.435 195 D N 2.687 123.157 120.400 0.116 0.000 2.454 195 D HA 0.633 5.273 4.640 -0.000 0.000 0.225 195 D C 0.810 177.223 176.300 0.187 0.000 1.081 195 D CA 0.127 54.236 54.000 0.182 0.000 0.864 195 D CB 1.557 42.468 40.800 0.185 0.000 1.040 195 D HN 0.893 nan 8.370 nan 0.000 0.517 196 A N 4.167 127.106 122.820 0.199 0.000 2.209 196 A HA -0.071 4.249 4.320 -0.000 0.000 0.212 196 A C 1.387 179.174 177.584 0.338 0.000 1.158 196 A CA 0.501 52.709 52.037 0.285 0.000 0.742 196 A CB -0.482 18.613 19.000 0.158 0.000 0.790 196 A HN 0.706 nan 8.150 nan 0.000 0.472 197 N N -1.480 117.371 118.700 0.252 0.000 2.741 197 N HA -0.208 4.532 4.740 -0.000 0.000 0.251 197 N C 0.137 175.771 175.510 0.208 0.000 1.112 197 N CA 1.187 54.365 53.050 0.213 0.000 0.750 197 N CB -1.924 36.672 38.487 0.181 0.000 1.119 197 N HN 0.494 nan 8.380 nan 0.000 0.561 198 S N -3.261 112.590 115.700 0.251 0.000 3.641 198 S HA -0.207 4.263 4.470 -0.000 0.000 0.346 198 S C 0.698 175.404 174.600 0.176 0.000 1.074 198 S CA 1.083 59.422 58.200 0.232 0.000 1.026 198 S CB -1.750 61.590 63.200 0.233 0.000 0.908 198 S HN 0.980 nan 8.310 nan 0.000 0.479 199 A N -1.051 121.880 122.820 0.184 0.000 2.535 199 A HA 0.620 4.940 4.320 -0.000 0.000 0.273 199 A C 0.006 177.447 177.584 -0.238 0.000 1.267 199 A CA -0.008 52.010 52.037 -0.031 0.000 0.940 199 A CB 0.376 19.310 19.000 -0.109 0.000 1.101 199 A HN 0.503 nan 8.150 nan 0.000 0.521 200 Y N -0.943 119.390 120.300 0.056 0.000 2.662 200 Y HA 0.650 5.200 4.550 -0.000 0.000 0.335 200 Y C 0.689 176.595 175.900 0.010 0.000 1.066 200 Y CA -0.320 57.803 58.100 0.039 0.000 1.116 200 Y CB 1.723 40.212 38.460 0.048 0.000 1.308 200 Y HN 0.143 nan 8.280 nan 0.000 0.502 201 T N -2.788 111.874 114.554 0.179 0.000 2.838 201 T HA 0.394 4.744 4.350 -0.000 0.000 0.292 201 T C 0.370 175.109 174.700 0.065 0.000 1.113 201 T CA -0.921 61.224 62.100 0.073 0.000 1.008 201 T CB 0.837 69.728 68.868 0.038 0.000 1.259 201 T HN 0.562 nan 8.240 nan 0.000 0.520 202 L N 0.637 121.870 121.223 0.016 0.000 2.187 202 L HA -0.025 4.315 4.340 -0.000 0.000 0.213 202 L C 3.097 179.982 176.870 0.026 0.000 1.100 202 L CA 1.495 56.341 54.840 0.010 0.000 0.765 202 L CB -0.861 41.192 42.059 -0.010 0.000 0.904 202 L HN 0.961 nan 8.230 nan 0.000 0.437 203 A N -0.285 122.555 122.820 0.034 0.000 1.948 203 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 203 A C 1.737 179.357 177.584 0.059 0.000 1.177 203 A CA 1.918 53.978 52.037 0.039 0.000 0.636 203 A CB -0.414 18.607 19.000 0.036 0.000 0.815 203 A HN 0.414 nan 8.150 nan 0.000 0.449 204 D N -0.106 120.351 120.400 0.095 0.000 2.319 204 D HA 0.273 4.913 4.640 -0.000 0.000 0.230 204 D C 1.829 178.175 176.300 0.078 0.000 1.094 204 D CA 0.726 54.807 54.000 0.135 0.000 0.856 204 D CB 0.038 41.024 40.800 0.309 0.000 0.915 204 D HN 0.468 nan 8.370 nan 0.000 0.517 205 A N 1.184 124.029 122.820 0.042 0.000 1.917 205 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 205 A C 2.367 179.955 177.584 0.006 0.000 1.182 205 A CA 2.075 54.120 52.037 0.013 0.000 0.633 205 A CB -1.003 18.002 19.000 0.008 0.000 0.819 205 A HN 0.339 nan 8.150 nan 0.000 0.448 206 G N -0.459 108.352 108.800 0.018 0.000 2.402 206 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 206 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 206 G C 1.676 176.586 174.900 0.017 0.000 1.162 206 G CA 0.785 45.892 45.100 0.013 0.000 0.777 206 G HN 0.610 nan 8.290 nan 0.000 0.539 207 R N 0.140 120.664 120.500 0.040 0.000 2.092 207 R HA 0.116 4.455 4.340 -0.000 0.000 0.231 207 R C 2.494 178.805 176.300 0.017 0.000 1.119 207 R CA 0.613 56.746 56.100 0.055 0.000 0.970 207 R CB -0.733 29.638 30.300 0.119 0.000 0.864 207 R HN 0.346 nan 8.270 nan 0.000 0.440 208 L N 0.640 121.847 121.223 -0.027 0.000 2.109 208 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 208 L C 2.871 179.703 176.870 -0.062 0.000 1.086 208 L CA 0.990 55.771 54.840 -0.099 0.000 0.760 208 L CB -0.368 41.590 42.059 -0.169 0.000 0.910 208 L HN 0.139 nan 8.230 nan 0.000 0.437 209 R N 0.206 120.681 120.500 -0.042 0.000 2.193 209 R HA -0.183 4.156 4.340 -0.000 0.000 0.229 209 R C 2.132 178.394 176.300 -0.062 0.000 1.110 209 R CA 1.116 57.189 56.100 -0.045 0.000 0.988 209 R CB -0.012 30.267 30.300 -0.034 0.000 0.871 209 R HN 0.434 nan 8.270 nan 0.000 0.458 210 Q N 0.107 119.879 119.800 -0.047 0.000 2.291 210 Q HA -0.105 4.234 4.340 -0.000 0.000 0.206 210 Q C 1.901 177.844 176.000 -0.094 0.000 0.976 210 Q CA 1.094 56.860 55.803 -0.062 0.000 0.875 210 Q CB 0.041 28.777 28.738 -0.004 0.000 0.927 210 Q HN 0.413 nan 8.270 nan 0.000 0.450 211 L N 0.302 121.502 121.223 -0.038 0.000 2.275 211 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 211 L C 1.408 178.219 176.870 -0.098 0.000 1.119 211 L CA 0.471 55.319 54.840 0.012 0.000 0.790 211 L CB -0.344 41.729 42.059 0.023 0.000 0.919 211 L HN 0.137 nan 8.230 nan 0.000 0.443 212 D N 0.753 121.074 120.400 -0.132 0.000 2.158 212 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 212 D C 2.068 178.255 176.300 -0.188 0.000 0.995 212 D CA 1.553 55.480 54.000 -0.122 0.000 0.846 212 D CB -0.060 40.679 40.800 -0.100 0.000 0.941 212 D HN 0.580 nan 8.370 nan 0.000 0.456 213 E N -0.321 119.656 120.200 -0.371 0.000 2.204 213 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 213 E C 1.019 177.390 176.600 -0.381 0.000 0.989 213 E CA 0.781 56.920 56.400 -0.434 0.000 0.824 213 E CB -0.486 28.864 29.700 -0.584 0.000 0.756 213 E HN 0.369 nan 8.360 nan 0.000 0.477 214 Y N 1.300 121.577 120.300 -0.038 0.000 2.471 214 Y HA 0.108 4.658 4.550 -0.000 0.000 0.286 214 Y C -0.114 175.760 175.900 -0.044 0.000 1.188 214 Y CA -0.240 57.836 58.100 -0.041 0.000 1.286 214 Y CB -0.178 38.252 38.460 -0.051 0.000 1.072 214 Y HN -0.073 nan 8.280 nan 0.000 0.517 215 D N 0.138 120.564 120.400 0.042 0.000 2.723 215 D HA -0.194 4.446 4.640 -0.000 0.000 0.236 215 D C -0.471 175.825 176.300 -0.006 0.000 1.138 215 D CA 0.497 54.505 54.000 0.012 0.000 0.676 215 D CB -1.392 39.418 40.800 0.017 0.000 1.069 215 D HN 0.301 nan 8.370 nan 0.000 0.430 216 L N -0.248 120.964 121.223 -0.018 0.000 2.461 216 L HA 0.106 4.445 4.340 -0.000 0.000 0.272 216 L C 2.170 178.980 176.870 -0.100 0.000 1.197 216 L CA -0.092 54.697 54.840 -0.085 0.000 0.836 216 L CB 0.329 42.333 42.059 -0.092 0.000 1.105 216 L HN -0.075 nan 8.230 nan 0.000 0.477 217 T N 0.347 114.785 114.554 -0.194 0.000 2.821 217 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 217 T C -0.318 174.379 174.700 -0.005 0.000 1.046 217 T CA 1.384 63.407 62.100 -0.128 0.000 1.139 217 T CB -0.152 68.589 68.868 -0.211 0.000 0.871 217 T HN 0.633 nan 8.240 nan 0.000 0.454 218 Y N -1.854 118.435 120.300 -0.019 0.000 2.741 218 Y HA 0.637 5.187 4.550 -0.000 0.000 0.339 218 Y C -1.924 173.979 175.900 0.005 0.000 1.226 218 Y CA -2.299 55.804 58.100 0.005 0.000 1.072 218 Y CB 0.520 39.007 38.460 0.044 0.000 1.331 218 Y HN -0.153 nan 8.280 nan 0.000 0.453 219 I N 1.981 122.712 120.570 0.268 0.000 2.362 219 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 219 I C -0.470 175.802 176.117 0.258 0.000 0.994 219 I CA -0.550 60.860 61.300 0.183 0.000 1.158 219 I CB 1.733 39.767 38.000 0.056 0.000 1.315 219 I HN 0.675 nan 8.210 nan 0.000 0.451 220 E N 5.844 126.223 120.200 0.299 0.000 2.194 220 E HA 0.132 4.482 4.350 -0.000 0.000 0.284 220 E C -0.255 176.445 176.600 0.165 0.000 1.035 220 E CA -0.537 56.012 56.400 0.247 0.000 0.836 220 E CB 0.624 30.534 29.700 0.351 0.000 1.070 220 E HN 0.454 nan 8.360 nan 0.000 0.401 221 Q N 3.714 123.560 119.800 0.076 0.000 2.437 221 Q HA -0.166 4.173 4.340 -0.000 0.000 0.354 221 Q C -2.001 174.174 176.000 0.290 0.000 1.402 221 Q CA 0.630 56.507 55.803 0.124 0.000 1.020 221 Q CB -0.250 28.567 28.738 0.133 0.000 1.220 221 Q HN 0.525 nan 8.270 nan 0.000 0.368 222 P HA -0.112 nan 4.420 nan 0.000 0.219 222 P C 0.219 177.700 177.300 0.303 0.000 1.150 222 P CA 1.213 64.474 63.100 0.268 0.000 0.814 222 P CB 0.244 32.004 31.700 0.099 0.000 0.787 223 L N -1.745 119.627 121.223 0.248 0.000 2.464 223 L HA 0.678 5.018 4.340 -0.000 0.000 0.264 223 L C 0.641 177.521 176.870 0.017 0.000 1.062 223 L CA -1.825 52.988 54.840 -0.045 0.000 0.935 223 L CB -0.476 41.332 42.059 -0.420 0.000 1.603 223 L HN -0.282 nan 8.230 nan 0.000 0.528 224 A N 0.696 123.472 122.820 -0.073 0.000 2.603 224 A HA -0.111 4.209 4.320 -0.000 0.000 0.235 224 A C 0.954 178.540 177.584 0.002 0.000 1.035 224 A CA 0.293 52.305 52.037 -0.043 0.000 0.755 224 A CB -0.278 18.611 19.000 -0.184 0.000 0.954 224 A HN 0.908 nan 8.150 nan 0.000 0.511 225 W N 2.413 123.727 121.300 0.022 0.000 2.392 225 W HA -0.126 4.534 4.660 -0.000 0.000 0.279 225 W C 0.037 176.549 176.519 -0.012 0.000 1.225 225 W CA 1.239 58.580 57.345 -0.007 0.000 1.233 225 W CB -0.600 28.805 29.460 -0.091 0.000 1.122 225 W HN 0.769 nan 8.180 nan 0.000 0.561 226 D N -0.333 119.523 120.400 -0.906 0.000 2.402 226 D HA 0.019 4.658 4.640 -0.000 0.000 0.216 226 D C -0.164 175.895 176.300 -0.401 0.000 1.128 226 D CA -0.150 53.336 54.000 -0.856 0.000 0.833 226 D CB -0.611 39.266 40.800 -1.540 0.000 0.971 226 D HN 0.099 nan 8.370 nan 0.000 0.503 227 D N 0.526 120.797 120.400 -0.216 0.000 2.181 227 D HA 0.238 4.877 4.640 -0.000 0.000 0.248 227 D C 0.551 176.889 176.300 0.064 0.000 1.020 227 D CA -0.539 53.398 54.000 -0.105 0.000 0.891 227 D CB 2.047 42.752 40.800 -0.157 0.000 1.187 227 D HN 0.001 nan 8.370 nan 0.000 0.443 228 L N 2.362 123.594 121.223 0.015 0.000 2.694 228 L HA 0.062 4.402 4.340 -0.000 0.000 0.228 228 L C 2.248 179.139 176.870 0.035 0.000 1.048 228 L CA -0.102 54.765 54.840 0.046 0.000 0.887 228 L CB 0.011 42.059 42.059 -0.019 0.000 1.265 228 L HN 0.275 nan 8.230 nan 0.000 0.492 229 V N 0.380 120.285 119.914 -0.015 0.000 2.358 229 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 229 V C 1.941 178.019 176.094 -0.026 0.000 1.047 229 V CA 2.004 64.290 62.300 -0.023 0.000 1.035 229 V CB -0.353 31.447 31.823 -0.038 0.000 0.658 229 V HN 0.364 nan 8.190 nan 0.000 0.452 230 D N -1.046 119.314 120.400 -0.066 0.000 2.149 230 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 230 D C 2.077 178.328 176.300 -0.082 0.000 0.972 230 D CA 1.236 55.177 54.000 -0.098 0.000 0.835 230 D CB -0.292 40.404 40.800 -0.173 0.000 0.966 230 D HN 0.583 nan 8.370 nan 0.000 0.476 231 H N 0.160 119.210 119.070 -0.032 0.000 2.387 231 H HA -0.010 4.546 4.556 -0.000 0.000 0.299 231 H C 2.038 177.348 175.328 -0.030 0.000 1.090 231 H CA 1.322 57.353 56.048 -0.028 0.000 1.332 231 H CB 0.151 29.892 29.762 -0.035 0.000 1.386 231 H HN 0.099 nan 8.280 nan 0.000 0.516 232 A N 0.753 123.627 122.820 0.091 0.000 1.908 232 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 232 A C 2.192 179.788 177.584 0.020 0.000 1.181 232 A CA 1.955 54.012 52.037 0.033 0.000 0.627 232 A CB -0.334 18.672 19.000 0.009 0.000 0.818 232 A HN 0.412 nan 8.150 nan 0.000 0.445 233 E N -0.209 119.998 120.200 0.011 0.000 2.047 233 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 233 E C 1.807 178.411 176.600 0.007 0.000 0.987 233 E CA 1.316 57.717 56.400 0.002 0.000 0.799 233 E CB -0.480 29.214 29.700 -0.011 0.000 0.752 233 E HN 0.396 nan 8.360 nan 0.000 0.449 234 L N 0.402 121.633 121.223 0.014 0.000 2.079 234 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 234 L C 2.180 179.064 176.870 0.023 0.000 1.081 234 L CA 2.347 57.198 54.840 0.019 0.000 0.752 234 L CB -0.954 41.126 42.059 0.034 0.000 0.896 234 L HN 0.203 nan 8.230 nan 0.000 0.433 235 A N -0.727 122.113 122.820 0.033 0.000 2.019 235 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 235 A C 2.400 179.990 177.584 0.010 0.000 1.164 235 A CA 1.564 53.615 52.037 0.022 0.000 0.644 235 A CB -0.521 18.491 19.000 0.020 0.000 0.805 235 A HN 0.524 nan 8.150 nan 0.000 0.449 236 R N -0.746 119.759 120.500 0.008 0.000 2.148 236 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 236 R C 1.970 178.271 176.300 0.000 0.000 1.088 236 R CA 0.972 57.074 56.100 0.003 0.000 0.985 236 R CB -0.111 30.190 30.300 0.002 0.000 0.880 236 R HN 0.427 nan 8.270 nan 0.000 0.451 237 R N 0.625 121.125 120.500 0.000 0.000 2.276 237 R HA 0.137 4.477 4.340 -0.000 0.000 0.196 237 R C 1.055 177.350 176.300 -0.008 0.000 0.961 237 R CA 0.520 56.618 56.100 -0.004 0.000 1.024 237 R CB 0.033 30.332 30.300 -0.003 0.000 0.940 237 R HN 0.285 nan 8.270 nan 0.000 0.480 238 I N -3.277 117.289 120.570 -0.007 0.000 2.828 238 I HA 0.371 4.540 4.170 -0.000 0.000 0.302 238 I C 0.642 176.753 176.117 -0.010 0.000 1.101 238 I CA -1.075 60.217 61.300 -0.013 0.000 1.031 238 I CB 2.427 40.416 38.000 -0.018 0.000 1.231 238 I HN -0.285 nan 8.210 nan 0.000 0.427 239 R N 1.194 121.684 120.500 -0.017 0.000 2.189 239 R HA 0.149 4.489 4.340 -0.000 0.000 0.203 239 R C 0.213 176.510 176.300 -0.006 0.000 1.012 239 R CA 0.333 56.425 56.100 -0.013 0.000 1.015 239 R CB -0.142 30.144 30.300 -0.023 0.000 0.938 239 R HN 0.682 nan 8.270 nan 0.000 0.472 240 T N 4.479 119.028 114.554 -0.009 0.000 2.867 240 T HA 0.109 4.459 4.350 -0.000 0.000 0.297 240 T C -2.341 172.377 174.700 0.030 0.000 0.989 240 T CA -0.823 61.281 62.100 0.006 0.000 1.159 240 T CB 1.016 69.883 68.868 -0.003 0.000 0.928 240 T HN -0.024 nan 8.240 nan 0.000 0.538 241 P HA 0.140 nan 4.420 nan 0.000 0.267 241 P C -0.443 176.916 177.300 0.098 0.000 1.200 241 P CA -0.121 63.022 63.100 0.072 0.000 0.772 241 P CB 0.448 32.210 31.700 0.104 0.000 0.855 242 L N 2.216 123.470 121.223 0.053 0.000 2.343 242 L HA 0.473 4.812 4.340 -0.000 0.000 0.275 242 L C 0.157 177.015 176.870 -0.020 0.000 1.056 242 L CA -0.669 54.189 54.840 0.030 0.000 0.804 242 L CB 1.558 43.606 42.059 -0.018 0.000 1.203 242 L HN 0.429 nan 8.230 nan 0.000 0.440 243 C N 4.836 124.112 119.300 -0.040 0.000 2.319 243 C HA 0.587 5.047 4.460 -0.000 0.000 0.323 243 C C -0.044 174.840 174.990 -0.176 0.000 1.277 243 C CA -0.698 58.221 59.018 -0.166 0.000 1.517 243 C CB -0.096 27.432 27.740 -0.352 0.000 2.206 243 C HN 0.674 nan 8.230 nan 0.000 0.486 244 L N 5.450 126.538 121.223 -0.224 0.000 2.357 244 L HA 0.476 4.816 4.340 -0.000 0.000 0.273 244 L C 0.548 177.308 176.870 -0.183 0.000 1.080 244 L CA 0.069 54.774 54.840 -0.225 0.000 0.803 244 L CB 1.133 43.054 42.059 -0.230 0.000 1.174 244 L HN 0.756 nan 8.230 nan 0.000 0.443 245 D N 0.154 120.490 120.400 -0.106 0.000 3.028 245 D HA -0.009 4.630 4.640 -0.000 0.000 0.205 245 D C 1.349 177.652 176.300 0.005 0.000 1.489 245 D CA 0.190 54.158 54.000 -0.054 0.000 1.452 245 D CB 0.212 41.034 40.800 0.038 0.000 1.052 245 D HN 0.494 nan 8.370 nan 0.000 0.221 246 E N 0.224 120.451 120.200 0.043 0.000 2.265 246 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 246 E C 1.781 178.446 176.600 0.108 0.000 0.996 246 E CA 1.297 57.730 56.400 0.055 0.000 0.832 246 E CB -0.068 29.662 29.700 0.050 0.000 0.756 246 E HN 0.284 nan 8.360 nan 0.000 0.491 247 S N -0.720 115.008 115.700 0.048 0.000 2.593 247 S HA 0.082 4.552 4.470 -0.000 0.000 0.217 247 S C 0.655 175.241 174.600 -0.023 0.000 0.966 247 S CA -0.299 57.902 58.200 0.002 0.000 0.914 247 S CB 0.357 63.545 63.200 -0.021 0.000 0.776 247 S HN -0.052 nan 8.310 nan 0.000 0.523 248 V N 1.961 121.859 119.914 -0.026 0.000 2.293 248 V HA 0.707 4.827 4.120 -0.000 0.000 0.275 248 V C 0.569 176.659 176.094 -0.007 0.000 1.021 248 V CA -0.100 62.178 62.300 -0.038 0.000 0.815 248 V CB 0.533 32.308 31.823 -0.081 0.000 1.025 248 V HN 0.427 nan 8.190 nan 0.000 0.448 249 A N 3.767 126.594 122.820 0.012 0.000 2.470 249 A HA 0.665 4.985 4.320 -0.000 0.000 0.251 249 A C 0.694 178.294 177.584 0.026 0.000 1.245 249 A CA 0.517 52.574 52.037 0.033 0.000 0.932 249 A CB 0.240 19.276 19.000 0.059 0.000 1.037 249 A HN 0.926 nan 8.150 nan 0.000 0.522 250 S N -3.325 112.382 115.700 0.012 0.000 2.611 250 S HA 0.616 5.085 4.470 -0.000 0.000 0.268 250 S C 0.777 175.384 174.600 0.011 0.000 1.156 250 S CA 0.020 58.230 58.200 0.017 0.000 0.817 250 S CB 0.898 64.111 63.200 0.021 0.000 1.122 250 S HN 0.998 nan 8.310 nan 0.000 0.466 251 A N 1.628 124.462 122.820 0.023 0.000 1.933 251 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 251 A C 2.318 179.917 177.584 0.025 0.000 1.175 251 A CA 2.312 54.366 52.037 0.028 0.000 0.628 251 A CB -1.555 17.472 19.000 0.045 0.000 0.814 251 A HN 1.640 nan 8.150 nan 0.000 0.444 252 S N 0.189 115.903 115.700 0.023 0.000 2.402 252 S HA -0.173 4.296 4.470 -0.000 0.000 0.229 252 S C 1.396 175.997 174.600 0.001 0.000 1.021 252 S CA 1.351 59.563 58.200 0.020 0.000 0.974 252 S CB -0.514 62.697 63.200 0.020 0.000 0.800 252 S HN 0.488 nan 8.310 nan 0.000 0.484 253 D N 2.710 123.105 120.400 -0.009 0.000 2.104 253 D HA -0.016 4.624 4.640 -0.000 0.000 0.194 253 D C 2.308 178.574 176.300 -0.057 0.000 0.994 253 D CA 1.607 55.589 54.000 -0.030 0.000 0.830 253 D CB -0.800 39.985 40.800 -0.026 0.000 0.959 253 D HN 0.557 nan 8.370 nan 0.000 0.452 254 A N 1.140 123.926 122.820 -0.056 0.000 1.877 254 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 254 A C 2.182 179.680 177.584 -0.143 0.000 1.186 254 A CA 1.624 53.602 52.037 -0.099 0.000 0.620 254 A CB -0.463 18.496 19.000 -0.067 0.000 0.822 254 A HN 0.065 nan 8.150 nan 0.000 0.443 255 R N 0.371 120.841 120.500 -0.049 0.000 2.091 255 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 255 R C 1.877 178.128 176.300 -0.081 0.000 1.136 255 R CA 2.137 58.240 56.100 0.006 0.000 0.959 255 R CB -0.431 29.949 30.300 0.133 0.000 0.856 255 R HN 0.592 nan 8.270 nan 0.000 0.437 256 K N -0.079 120.286 120.400 -0.059 0.000 2.057 256 K HA -0.028 4.292 4.320 -0.000 0.000 0.206 256 K C 2.201 178.735 176.600 -0.109 0.000 1.050 256 K CA 1.371 57.625 56.287 -0.055 0.000 0.935 256 K CB -0.193 32.286 32.500 -0.035 0.000 0.715 256 K HN 0.220 nan 8.250 nan 0.000 0.439 257 A N 1.310 124.043 122.820 -0.144 0.000 1.877 257 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 257 A C 2.114 179.553 177.584 -0.243 0.000 1.186 257 A CA 1.405 53.343 52.037 -0.164 0.000 0.620 257 A CB -0.620 18.280 19.000 -0.166 0.000 0.822 257 A HN 0.157 nan 8.150 nan 0.000 0.443 258 L N -1.137 119.830 121.223 -0.426 0.000 2.131 258 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 258 L C 3.019 179.541 176.870 -0.581 0.000 1.087 258 L CA 0.817 55.243 54.840 -0.690 0.000 0.767 258 L CB -0.431 40.832 42.059 -1.327 0.000 0.917 258 L HN 0.402 nan 8.230 nan 0.000 0.441 259 A N -0.065 122.514 122.820 -0.402 0.000 1.969 259 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 259 A C 2.209 179.782 177.584 -0.018 0.000 1.169 259 A CA 1.275 53.310 52.037 -0.003 0.000 0.635 259 A CB -0.563 18.518 19.000 0.136 0.000 0.810 259 A HN 0.365 nan 8.150 nan 0.000 0.445 260 L N -1.421 119.762 121.223 -0.067 0.000 2.313 260 L HA 0.101 4.441 4.340 -0.000 0.000 0.214 260 L C 1.706 178.553 176.870 -0.038 0.000 1.119 260 L CA 0.706 55.523 54.840 -0.038 0.000 0.809 260 L CB -0.182 41.852 42.059 -0.042 0.000 0.933 260 L HN 0.595 nan 8.230 nan 0.000 0.449 261 G N -0.730 108.029 108.800 -0.069 0.000 2.160 261 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 261 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 261 G C 0.923 175.794 174.900 -0.048 0.000 1.022 261 G CA 0.363 45.430 45.100 -0.054 0.000 0.741 261 G HN 0.426 nan 8.290 nan 0.000 0.508 262 A N -0.935 121.845 122.820 -0.066 0.000 2.067 262 A HA 0.557 4.877 4.320 -0.000 0.000 0.219 262 A C 1.670 179.206 177.584 -0.080 0.000 1.158 262 A CA 1.928 53.941 52.037 -0.041 0.000 0.661 262 A CB 0.098 19.071 19.000 -0.046 0.000 0.801 262 A HN 2.222 nan 8.150 nan 0.000 0.452 263 G N -4.136 104.597 108.800 -0.111 0.000 2.601 263 G HA2 0.454 4.414 3.960 -0.000 0.000 0.291 263 G HA3 0.454 4.414 3.960 -0.000 0.000 0.291 263 G C 0.194 175.031 174.900 -0.105 0.000 1.456 263 G CA 0.217 45.249 45.100 -0.114 0.000 0.804 263 G HN 0.632 nan 8.290 nan 0.000 0.499 264 G N -1.362 107.396 108.800 -0.070 0.000 3.192 264 G HA2 0.468 4.428 3.960 -0.000 0.000 0.239 264 G HA3 0.468 4.428 3.960 -0.000 0.000 0.239 264 G C -0.237 174.630 174.900 -0.054 0.000 1.084 264 G CA 0.356 45.426 45.100 -0.049 0.000 0.784 264 G HN 0.936 nan 8.290 nan 0.000 0.540 265 V N 0.801 120.660 119.914 -0.091 0.000 2.888 265 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 265 V C -1.102 174.875 176.094 -0.196 0.000 1.114 265 V CA -0.784 61.449 62.300 -0.111 0.000 0.940 265 V CB 2.402 34.158 31.823 -0.112 0.000 1.021 265 V HN 0.086 nan 8.190 nan 0.000 0.426 266 I N 3.060 123.487 120.570 -0.238 0.000 2.436 266 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 266 I C -0.346 175.429 176.117 -0.570 0.000 1.010 266 I CA -0.566 60.537 61.300 -0.329 0.000 1.098 266 I CB 2.021 39.861 38.000 -0.266 0.000 1.266 266 I HN 0.629 nan 8.210 nan 0.000 0.434 267 N N 7.140 125.404 118.700 -0.726 0.000 2.402 267 N HA 0.101 4.840 4.740 -0.000 0.000 0.252 267 N C -1.151 173.991 175.510 -0.612 0.000 1.118 267 N CA -0.298 52.047 53.050 -1.173 0.000 0.945 267 N CB 0.682 38.501 38.487 -1.113 0.000 1.147 267 N HN 0.391 nan 8.380 nan 0.000 0.495 268 L N 3.780 124.705 121.223 -0.498 0.000 2.261 268 L HA 0.391 4.730 4.340 -0.000 0.000 0.289 268 L C -0.355 176.456 176.870 -0.098 0.000 1.059 268 L CA -0.056 54.657 54.840 -0.210 0.000 0.816 268 L CB 0.092 42.070 42.059 -0.135 0.000 1.191 268 L HN 0.389 nan 8.230 nan 0.000 0.431 269 K N 4.255 124.610 120.400 -0.076 0.000 2.316 269 K HA 0.208 4.528 4.320 -0.000 0.000 0.267 269 K C 0.837 177.425 176.600 -0.020 0.000 1.025 269 K CA -0.333 55.929 56.287 -0.042 0.000 0.896 269 K CB 2.019 34.490 32.500 -0.049 0.000 1.124 269 K HN 0.563 nan 8.250 nan 0.000 0.451 270 V N 3.468 123.369 119.914 -0.022 0.000 2.282 270 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 270 V C 1.829 177.868 176.094 -0.091 0.000 1.057 270 V CA 2.805 65.067 62.300 -0.064 0.000 1.032 270 V CB -0.201 31.533 31.823 -0.149 0.000 0.645 270 V HN 0.922 nan 8.190 nan 0.000 0.447 271 A N -0.085 122.680 122.820 -0.092 0.000 1.930 271 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 271 A C 2.423 179.997 177.584 -0.017 0.000 1.175 271 A CA 1.692 53.684 52.037 -0.075 0.000 0.627 271 A CB -0.692 18.260 19.000 -0.080 0.000 0.815 271 A HN 0.615 nan 8.150 nan 0.000 0.443 272 R N 0.238 120.743 120.500 0.008 0.000 2.120 272 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 272 R C 1.584 177.913 176.300 0.048 0.000 1.123 272 R CA 1.842 57.979 56.100 0.061 0.000 0.975 272 R CB -0.253 30.111 30.300 0.107 0.000 0.866 272 R HN 0.528 nan 8.270 nan 0.000 0.446 273 V N -3.195 116.733 119.914 0.023 0.000 3.647 273 V HA 0.409 4.529 4.120 -0.000 0.000 0.279 273 V C 0.792 176.899 176.094 0.023 0.000 1.314 273 V CA 0.556 62.871 62.300 0.025 0.000 1.125 273 V CB 0.305 32.139 31.823 0.019 0.000 0.907 273 V HN 0.404 nan 8.190 nan 0.000 0.434 274 G N -1.410 107.397 108.800 0.012 0.000 2.144 274 G HA2 0.307 4.267 3.960 -0.000 0.000 0.218 274 G HA3 0.307 4.267 3.960 -0.000 0.000 0.218 274 G C 0.957 175.855 174.900 -0.002 0.000 0.988 274 G CA -0.008 45.097 45.100 0.008 0.000 0.659 274 G HN 2.307 nan 8.290 nan 0.000 0.522 275 G N -1.930 106.851 108.800 -0.031 0.000 2.343 275 G HA2 0.244 4.203 3.960 -0.000 0.000 0.562 275 G HA3 0.244 4.203 3.960 -0.000 0.000 0.562 275 G C 0.185 175.059 174.900 -0.043 0.000 1.269 275 G CA 0.450 45.514 45.100 -0.061 0.000 1.011 275 G HN 0.530 nan 8.290 nan 0.000 0.498 276 H N -0.080 119.018 119.070 0.048 0.000 2.333 276 H HA 0.108 4.664 4.556 -0.000 0.000 0.302 276 H C 3.108 178.394 175.328 -0.069 0.000 1.075 276 H CA 2.362 58.326 56.048 -0.140 0.000 1.348 276 H CB -0.526 28.873 29.762 -0.606 0.000 1.393 276 H HN 0.729 nan 8.280 nan 0.000 0.509 277 A N 1.085 124.076 122.820 0.285 0.000 1.883 277 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 277 A C 2.386 180.068 177.584 0.163 0.000 1.186 277 A CA 2.074 54.279 52.037 0.281 0.000 0.624 277 A CB -0.357 18.892 19.000 0.414 0.000 0.822 277 A HN 0.368 nan 8.150 nan 0.000 0.444 278 E N 0.201 120.484 120.200 0.137 0.000 2.106 278 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 278 E C 2.167 178.819 176.600 0.085 0.000 0.984 278 E CA 1.486 57.942 56.400 0.093 0.000 0.806 278 E CB -0.233 29.508 29.700 0.067 0.000 0.750 278 E HN 0.525 nan 8.360 nan 0.000 0.458 279 S N 0.231 115.982 115.700 0.085 0.000 2.368 279 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 279 S C 1.897 176.578 174.600 0.135 0.000 1.030 279 S CA 1.082 59.343 58.200 0.102 0.000 0.999 279 S CB -0.318 62.952 63.200 0.117 0.000 0.844 279 S HN 0.256 nan 8.310 nan 0.000 0.459 280 R N 1.138 121.701 120.500 0.105 0.000 2.103 280 R HA -0.091 4.249 4.340 -0.000 0.000 0.242 280 R C 2.442 178.841 176.300 0.165 0.000 1.142 280 R CA 1.381 57.538 56.100 0.096 0.000 0.960 280 R CB -0.120 30.206 30.300 0.044 0.000 0.858 280 R HN 0.343 nan 8.270 nan 0.000 0.439 281 R N -0.558 120.019 120.500 0.127 0.000 2.075 281 R HA -0.076 4.263 4.340 -0.000 0.000 0.232 281 R C 2.325 178.686 176.300 0.101 0.000 1.126 281 R CA 1.424 57.592 56.100 0.113 0.000 0.963 281 R CB -0.342 30.011 30.300 0.088 0.000 0.858 281 R HN 0.069 nan 8.270 nan 0.000 0.435 282 V N 1.049 121.014 119.914 0.085 0.000 2.287 282 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 282 V C 2.499 178.612 176.094 0.032 0.000 1.053 282 V CA 2.128 64.453 62.300 0.041 0.000 1.027 282 V CB -0.835 30.995 31.823 0.013 0.000 0.646 282 V HN 0.492 nan 8.190 nan 0.000 0.447 283 H N 0.524 119.570 119.070 -0.040 0.000 2.352 283 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 283 H C 1.922 177.235 175.328 -0.025 0.000 1.097 283 H CA 2.183 58.182 56.048 -0.082 0.000 1.311 283 H CB -0.148 29.601 29.762 -0.023 0.000 1.377 283 H HN 0.433 nan 8.280 nan 0.000 0.504 284 D N 0.274 120.739 120.400 0.108 0.000 2.183 284 D HA -0.069 4.571 4.640 -0.000 0.000 0.203 284 D C 2.537 178.839 176.300 0.003 0.000 0.969 284 D CA 0.633 54.652 54.000 0.032 0.000 0.842 284 D CB -0.072 40.808 40.800 0.135 0.000 0.957 284 D HN 0.258 nan 8.370 nan 0.000 0.484 285 V N 1.520 121.459 119.914 0.042 0.000 2.358 285 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 285 V C 2.560 178.748 176.094 0.157 0.000 1.047 285 V CA 1.714 64.077 62.300 0.105 0.000 1.035 285 V CB -0.709 31.182 31.823 0.114 0.000 0.658 285 V HN 0.169 nan 8.190 nan 0.000 0.452 286 A N -0.751 122.086 122.820 0.028 0.000 1.877 286 A HA -0.318 4.002 4.320 -0.000 0.000 0.216 286 A C 2.246 179.833 177.584 0.005 0.000 1.186 286 A CA 2.176 54.210 52.037 -0.006 0.000 0.620 286 A CB -0.590 18.332 19.000 -0.130 0.000 0.822 286 A HN 0.587 nan 8.150 nan 0.000 0.443 287 Q N 0.300 120.034 119.800 -0.109 0.000 2.124 287 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 287 Q C 2.187 178.168 176.000 -0.030 0.000 0.977 287 Q CA 2.178 57.913 55.803 -0.112 0.000 0.850 287 Q CB -0.222 28.384 28.738 -0.220 0.000 0.901 287 Q HN 0.799 nan 8.270 nan 0.000 0.429 288 S N -0.964 114.727 115.700 -0.015 0.000 2.442 288 S HA -0.110 4.360 4.470 -0.000 0.000 0.236 288 S C 1.269 175.802 174.600 -0.111 0.000 1.007 288 S CA 0.759 58.918 58.200 -0.068 0.000 0.965 288 S CB -0.315 62.823 63.200 -0.103 0.000 0.773 288 S HN 0.434 nan 8.310 nan 0.000 0.504 289 F N 1.728 121.647 119.950 -0.052 0.000 2.727 289 F HA 0.405 4.932 4.527 -0.001 0.000 0.302 289 F C 1.810 177.586 175.800 -0.041 0.000 1.097 289 F CA 0.132 58.107 58.000 -0.042 0.000 1.330 289 F CB 0.166 39.139 39.000 -0.045 0.000 1.084 289 F HN 0.380 nan 8.300 nan 0.000 0.578 290 G N 1.185 110.050 108.800 0.109 0.000 2.198 290 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.257 290 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.257 290 G C 0.020 174.947 174.900 0.044 0.000 1.042 290 G CA 0.068 45.199 45.100 0.053 0.000 0.791 290 G HN 0.632 nan 8.290 nan 0.000 0.502 291 A N 0.596 123.437 122.820 0.036 0.000 2.288 291 A HA 0.889 5.209 4.320 -0.000 0.000 0.320 291 A C -1.589 175.962 177.584 -0.055 0.000 1.217 291 A CA -1.457 50.572 52.037 -0.013 0.000 0.840 291 A CB 1.823 20.793 19.000 -0.049 0.000 1.179 291 A HN 0.203 nan 8.150 nan 0.000 0.504 292 P HA 0.432 nan 4.420 nan 0.000 0.278 292 P C -0.189 177.044 177.300 -0.112 0.000 1.258 292 P CA -0.197 62.867 63.100 -0.060 0.000 0.811 292 P CB 1.272 32.985 31.700 0.022 0.000 1.063 293 V N -1.999 117.790 119.914 -0.209 0.000 3.096 293 V HA 0.822 4.942 4.120 -0.000 0.000 0.319 293 V C -0.651 175.368 176.094 -0.126 0.000 1.103 293 V CA -0.870 61.237 62.300 -0.321 0.000 1.016 293 V CB 2.046 33.504 31.823 -0.610 0.000 1.090 293 V HN 0.823 nan 8.190 nan 0.000 0.449 294 W N -0.094 121.101 121.300 -0.175 0.000 3.083 294 W HA 0.654 5.314 4.660 -0.000 0.000 0.333 294 W C -1.400 175.270 176.519 0.252 0.000 1.217 294 W CA -1.260 56.147 57.345 0.103 0.000 1.170 294 W CB 1.201 30.722 29.460 0.102 0.000 1.437 294 W HN 0.863 nan 8.180 nan 0.000 0.557 295 C N 3.144 122.869 119.300 0.709 0.000 2.349 295 C HA 0.680 5.140 4.460 -0.000 0.000 0.348 295 C C 1.032 176.213 174.990 0.319 0.000 1.223 295 C CA 0.524 59.813 59.018 0.452 0.000 1.746 295 C CB -0.937 26.983 27.740 0.300 0.000 2.360 295 C HN 0.779 nan 8.230 nan 0.000 0.533 296 G N 4.161 112.951 108.800 -0.017 0.000 2.504 296 G HA2 0.631 4.591 3.960 -0.000 0.000 0.288 296 G HA3 0.631 4.591 3.960 -0.000 0.000 0.288 296 G C 0.050 174.985 174.900 0.059 0.000 1.182 296 G CA 0.109 45.209 45.100 -0.000 0.000 0.894 296 G HN 1.156 nan 8.290 nan 0.000 0.521 297 G N -1.176 107.669 108.800 0.075 0.000 2.685 297 G HA2 0.576 4.536 3.960 -0.000 0.000 0.298 297 G HA3 0.576 4.536 3.960 -0.000 0.000 0.298 297 G C -0.483 174.366 174.900 -0.084 0.000 1.277 297 G CA -0.795 44.308 45.100 0.004 0.000 0.986 297 G HN 0.521 nan 8.290 nan 0.000 0.487 298 M N 1.191 120.717 119.600 -0.123 0.000 4.816 298 M HA 0.220 4.700 4.480 -0.000 0.000 0.560 298 M C -0.194 176.023 176.300 -0.139 0.000 2.256 298 M CA -0.119 55.080 55.300 -0.168 0.000 0.410 298 M CB 0.383 32.841 32.600 -0.237 0.000 1.476 298 M HN 0.456 nan 8.290 nan 0.000 0.613 299 L N 0.513 121.604 121.223 -0.219 0.000 3.660 299 L HA -0.263 4.077 4.340 -0.000 0.000 0.440 299 L C -0.273 176.596 176.870 -0.003 0.000 1.262 299 L CA 0.663 55.329 54.840 -0.291 0.000 0.837 299 L CB -1.541 40.448 42.059 -0.116 0.000 1.689 299 L HN 0.528 nan 8.230 nan 0.000 0.890 300 E N 0.030 120.212 120.200 -0.029 0.000 2.366 300 E HA 0.384 4.734 4.350 -0.000 0.000 0.266 300 E C 0.694 177.453 176.600 0.264 0.000 1.051 300 E CA 0.358 56.813 56.400 0.091 0.000 0.884 300 E CB 0.918 30.638 29.700 0.034 0.000 1.006 300 E HN 0.367 nan 8.360 nan 0.000 0.417 301 S N 1.066 116.828 115.700 0.103 0.000 2.617 301 S HA 0.123 4.593 4.470 -0.000 0.000 0.255 301 S C 1.436 176.086 174.600 0.083 0.000 1.318 301 S CA -0.209 57.964 58.200 -0.044 0.000 0.978 301 S CB 0.892 63.945 63.200 -0.245 0.000 0.961 301 S HN 0.630 nan 8.310 nan 0.000 0.582 302 G N 0.055 108.892 108.800 0.062 0.000 2.470 302 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.220 302 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.220 302 G C 1.235 176.194 174.900 0.097 0.000 1.121 302 G CA 0.586 45.747 45.100 0.103 0.000 0.766 302 G HN 0.603 nan 8.290 nan 0.000 0.553 303 I N 1.760 122.380 120.570 0.083 0.000 2.133 303 I HA -0.074 4.096 4.170 -0.000 0.000 0.238 303 I C 3.065 179.314 176.117 0.220 0.000 1.074 303 I CA 1.541 62.923 61.300 0.137 0.000 1.342 303 I CB -1.546 36.518 38.000 0.106 0.000 1.053 303 I HN 0.226 nan 8.210 nan 0.000 0.404 304 G N 0.405 109.284 108.800 0.132 0.000 2.440 304 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 304 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 304 G C 1.926 176.910 174.900 0.141 0.000 1.154 304 G CA 0.783 45.948 45.100 0.107 0.000 0.767 304 G HN 0.300 nan 8.290 nan 0.000 0.552 305 R N 0.409 120.984 120.500 0.125 0.000 2.096 305 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 305 R C 2.858 179.234 176.300 0.126 0.000 1.127 305 R CA 1.371 57.542 56.100 0.118 0.000 0.968 305 R CB -0.284 30.095 30.300 0.133 0.000 0.861 305 R HN 0.326 nan 8.270 nan 0.000 0.440 306 A N 0.136 123.040 122.820 0.140 0.000 1.897 306 A HA -0.149 4.170 4.320 -0.000 0.000 0.215 306 A C 1.833 179.524 177.584 0.178 0.000 1.181 306 A CA 1.168 53.285 52.037 0.134 0.000 0.620 306 A CB -0.762 18.296 19.000 0.098 0.000 0.821 306 A HN 0.410 nan 8.150 nan 0.000 0.443 307 H N 0.306 119.460 119.070 0.140 0.000 2.319 307 H HA -0.141 4.415 4.556 -0.000 0.000 0.297 307 H C 1.897 177.331 175.328 0.177 0.000 1.097 307 H CA 1.920 58.079 56.048 0.184 0.000 1.285 307 H CB -0.108 29.745 29.762 0.151 0.000 1.368 307 H HN 0.440 nan 8.280 nan 0.000 0.495 308 N N 0.723 119.550 118.700 0.212 0.000 2.120 308 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 308 N C 2.228 177.734 175.510 -0.006 0.000 1.024 308 N CA 0.708 53.810 53.050 0.087 0.000 0.852 308 N CB -0.479 38.047 38.487 0.064 0.000 1.003 308 N HN 0.354 nan 8.380 nan 0.000 0.424 309 I N 0.489 121.063 120.570 0.006 0.000 2.226 309 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 309 I C 2.186 178.192 176.117 -0.185 0.000 1.100 309 I CA 1.086 62.330 61.300 -0.094 0.000 1.374 309 I CB -0.281 37.665 38.000 -0.091 0.000 1.057 309 I HN 0.277 nan 8.210 nan 0.000 0.413 310 H N -0.037 118.955 119.070 -0.131 0.000 2.357 310 H HA -0.144 4.412 4.556 -0.000 0.000 0.301 310 H C 2.159 177.335 175.328 -0.254 0.000 1.082 310 H CA 1.516 57.452 56.048 -0.187 0.000 1.342 310 H CB -0.107 29.526 29.762 -0.215 0.000 1.389 310 H HN 0.199 nan 8.280 nan 0.000 0.511 311 L N 0.874 122.036 121.223 -0.102 0.000 2.079 311 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 311 L C 2.158 178.667 176.870 -0.601 0.000 1.081 311 L CA 1.437 56.143 54.840 -0.224 0.000 0.752 311 L CB -0.607 41.432 42.059 -0.033 0.000 0.896 311 L HN -0.024 nan 8.230 nan 0.000 0.433 312 S N -1.261 114.017 115.700 -0.704 0.000 2.507 312 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 312 S C 1.703 175.985 174.600 -0.529 0.000 0.988 312 S CA 1.071 58.642 58.200 -1.048 0.000 0.944 312 S CB -0.670 62.214 63.200 -0.526 0.000 0.762 312 S HN 0.786 nan 8.310 nan 0.000 0.526 313 T N -0.134 114.218 114.554 -0.337 0.000 3.072 313 T HA 0.118 4.468 4.350 -0.000 0.000 0.266 313 T C 0.569 175.192 174.700 -0.128 0.000 1.127 313 T CA 0.070 62.054 62.100 -0.194 0.000 1.107 313 T CB -0.405 68.361 68.868 -0.171 0.000 0.910 313 T HN 0.001 nan 8.240 nan 0.000 0.513 314 L N 3.035 124.194 121.223 -0.106 0.000 2.483 314 L HA 0.224 4.564 4.340 -0.000 0.000 0.275 314 L C 1.907 178.914 176.870 0.228 0.000 1.220 314 L CA 0.373 55.211 54.840 -0.004 0.000 0.833 314 L CB 0.674 42.592 42.059 -0.234 0.000 1.102 314 L HN 0.383 nan 8.230 nan 0.000 0.490 315 S N 0.436 116.291 115.700 0.257 0.000 2.461 315 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 315 S C 1.223 175.990 174.600 0.277 0.000 1.005 315 S CA 0.895 59.225 58.200 0.215 0.000 0.942 315 S CB -0.458 62.826 63.200 0.140 0.000 0.776 315 S HN 0.755 nan 8.310 nan 0.000 0.514 316 N N -0.265 118.708 118.700 0.455 0.000 2.383 316 N HA 0.115 4.854 4.740 -0.000 0.000 0.192 316 N C -0.977 174.579 175.510 0.076 0.000 1.141 316 N CA -0.195 52.894 53.050 0.065 0.000 0.851 316 N CB -0.007 38.196 38.487 -0.473 0.000 0.976 316 N HN 0.341 nan 8.380 nan 0.000 0.465 317 F N 1.254 121.332 119.950 0.213 0.000 2.652 317 F HA 0.223 4.749 4.527 -0.000 0.000 0.352 317 F C 1.450 177.327 175.800 0.129 0.000 1.259 317 F CA -0.088 58.013 58.000 0.169 0.000 1.249 317 F CB 0.315 39.398 39.000 0.138 0.000 1.628 317 F HN -0.111 nan 8.300 nan 0.000 0.654 318 R N 1.039 121.658 120.500 0.198 0.000 2.312 318 R HA 0.292 4.631 4.340 -0.000 0.000 0.205 318 R C -0.085 176.302 176.300 0.144 0.000 0.904 318 R CA 0.196 56.382 56.100 0.144 0.000 1.052 318 R CB 0.462 30.815 30.300 0.089 0.000 1.014 318 R HN 0.383 nan 8.270 nan 0.000 0.503 319 L N 0.970 122.311 121.223 0.197 0.000 2.342 319 L HA 0.473 4.813 4.340 -0.000 0.000 0.271 319 L C -2.397 174.587 176.870 0.191 0.000 1.008 319 L CA -2.622 52.316 54.840 0.164 0.000 0.818 319 L CB 1.986 44.150 42.059 0.175 0.000 1.296 319 L HN -0.255 nan 8.230 nan 0.000 0.427 320 P HA 0.104 nan 4.420 nan 0.000 0.268 320 P C -0.341 177.033 177.300 0.123 0.000 1.205 320 P CA -0.115 63.037 63.100 0.086 0.000 0.771 320 P CB 0.644 32.352 31.700 0.013 0.000 0.858 321 G N 0.983 109.921 108.800 0.230 0.000 2.461 321 G HA2 0.189 4.148 3.960 -0.000 0.000 0.329 321 G HA3 0.189 4.148 3.960 -0.000 0.000 0.329 321 G C -0.012 175.039 174.900 0.251 0.000 1.170 321 G CA -0.414 44.909 45.100 0.372 0.000 0.935 321 G HN 0.304 nan 8.290 nan 0.000 0.492 322 D N 0.250 120.848 120.400 0.331 0.000 2.323 322 D HA 0.026 4.666 4.640 -0.000 0.000 0.239 322 D C 1.646 178.045 176.300 0.164 0.000 1.129 322 D CA 0.365 54.492 54.000 0.213 0.000 0.865 322 D CB 0.089 41.054 40.800 0.275 0.000 0.913 322 D HN 0.400 nan 8.370 nan 0.000 0.517 323 T N -1.082 113.569 114.554 0.162 0.000 4.058 323 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 323 T C 0.862 175.667 174.700 0.175 0.000 1.264 323 T CA -0.694 61.493 62.100 0.145 0.000 1.094 323 T CB -0.378 68.554 68.868 0.108 0.000 1.316 323 T HN -0.078 nan 8.240 nan 0.000 0.872 324 S N 1.588 117.411 115.700 0.204 0.000 2.625 324 S HA 0.437 4.906 4.470 -0.000 0.000 0.262 324 S C 0.411 175.169 174.600 0.263 0.000 1.223 324 S CA -0.918 57.426 58.200 0.239 0.000 0.993 324 S CB 0.157 63.403 63.200 0.077 0.000 1.051 324 S HN 0.494 nan 8.310 nan 0.000 0.562 325 S N 0.538 116.373 115.700 0.226 0.000 2.564 325 S HA 0.439 4.909 4.470 -0.000 0.000 0.278 325 S C 1.497 176.211 174.600 0.190 0.000 1.333 325 S CA -0.239 58.063 58.200 0.170 0.000 1.048 325 S CB 0.857 64.127 63.200 0.117 0.000 0.900 325 S HN 0.881 nan 8.310 nan 0.000 0.505 326 A N 3.093 126.049 122.820 0.225 0.000 1.908 326 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 326 A C 2.326 180.029 177.584 0.198 0.000 1.181 326 A CA 1.898 54.125 52.037 0.318 0.000 0.627 326 A CB -1.197 17.998 19.000 0.324 0.000 0.818 326 A HN 0.950 nan 8.150 nan 0.000 0.445 327 S N -0.270 115.493 115.700 0.105 0.000 2.465 327 S HA -0.185 4.285 4.470 -0.000 0.000 0.241 327 S C 1.793 176.343 174.600 -0.083 0.000 1.000 327 S CA 1.273 59.493 58.200 0.033 0.000 0.964 327 S CB -0.525 62.688 63.200 0.020 0.000 0.763 327 S HN 0.617 nan 8.310 nan 0.000 0.512 328 R N -0.875 119.498 120.500 -0.211 0.000 2.235 328 R HA 0.073 4.413 4.340 -0.000 0.000 0.213 328 R C 1.156 177.058 176.300 -0.664 0.000 1.059 328 R CA 1.411 57.230 56.100 -0.470 0.000 0.997 328 R CB -0.158 29.692 30.300 -0.749 0.000 0.884 328 R HN 0.654 nan 8.270 nan 0.000 0.462 329 Y N -2.530 117.521 120.300 -0.415 0.000 2.664 329 Y HA 0.134 4.684 4.550 -0.000 0.000 0.278 329 Y C 0.301 175.745 175.900 -0.761 0.000 1.130 329 Y CA -0.514 57.083 58.100 -0.839 0.000 1.260 329 Y CB 0.426 37.988 38.460 -1.497 0.000 1.369 329 Y HN -0.064 nan 8.280 nan 0.000 0.499 330 W N 1.154 122.553 121.300 0.166 0.000 2.632 330 W HA 0.428 5.088 4.660 -0.000 0.000 0.328 330 W C 0.666 177.207 176.519 0.038 0.000 1.044 330 W CA -0.790 56.613 57.345 0.095 0.000 1.225 330 W CB 1.092 30.613 29.460 0.102 0.000 1.396 330 W HN -0.112 nan 8.180 nan 0.000 0.499 331 E N 1.036 121.390 120.200 0.257 0.000 2.077 331 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 331 E C 0.623 177.266 176.600 0.071 0.000 0.989 331 E CA 1.067 57.541 56.400 0.123 0.000 0.800 331 E CB 0.186 29.944 29.700 0.097 0.000 0.746 331 E HN 0.245 nan 8.360 nan 0.000 0.452 332 R N 0.821 121.365 120.500 0.072 0.000 2.510 332 R HA 0.093 4.433 4.340 -0.000 0.000 0.287 332 R C -1.506 174.746 176.300 -0.080 0.000 1.084 332 R CA -0.474 55.530 56.100 -0.160 0.000 0.934 332 R CB 1.280 31.204 30.300 -0.627 0.000 1.201 332 R HN -0.107 nan 8.270 nan 0.000 0.431 333 D N 2.671 123.056 120.400 -0.025 0.000 2.361 333 D HA 0.042 4.682 4.640 -0.000 0.000 0.239 333 D C 1.120 177.408 176.300 -0.021 0.000 1.200 333 D CA -0.030 53.938 54.000 -0.053 0.000 0.915 333 D CB 1.081 41.916 40.800 0.059 0.000 1.170 333 D HN 0.551 nan 8.370 nan 0.000 0.444 334 L N 1.357 122.578 121.223 -0.004 0.000 2.552 334 L HA 0.094 4.434 4.340 -0.000 0.000 0.227 334 L C 1.018 177.936 176.870 0.081 0.000 1.146 334 L CA 0.262 55.164 54.840 0.103 0.000 0.858 334 L CB -0.466 41.588 42.059 -0.009 0.000 0.969 334 L HN 0.328 nan 8.230 nan 0.000 0.451 335 I N -4.720 115.875 120.570 0.043 0.000 2.863 335 I HA 0.216 4.386 4.170 -0.000 0.000 0.311 335 I C 0.714 176.847 176.117 0.026 0.000 1.026 335 I CA -0.817 60.507 61.300 0.041 0.000 1.077 335 I CB 1.335 39.359 38.000 0.040 0.000 1.262 335 I HN -0.092 nan 8.210 nan 0.000 0.461 336 Q N 0.778 120.593 119.800 0.025 0.000 2.187 336 Q HA 0.015 4.354 4.340 -0.000 0.000 0.199 336 Q C -0.296 175.711 176.000 0.011 0.000 0.957 336 Q CA 1.028 56.839 55.803 0.013 0.000 0.857 336 Q CB -0.015 28.733 28.738 0.017 0.000 0.929 336 Q HN 0.642 nan 8.270 nan 0.000 0.453 337 E N 1.878 122.091 120.200 0.021 0.000 2.301 337 E HA 0.146 4.496 4.350 -0.000 0.000 0.275 337 E C -2.334 174.285 176.600 0.032 0.000 1.030 337 E CA -2.019 54.395 56.400 0.023 0.000 0.852 337 E CB 0.476 30.191 29.700 0.025 0.000 1.060 337 E HN 0.031 nan 8.360 nan 0.000 0.401 338 P HA 0.170 nan 4.420 nan 0.000 0.279 338 P C -0.827 176.503 177.300 0.049 0.000 1.239 338 P CA -0.230 62.894 63.100 0.041 0.000 0.789 338 P CB 0.720 32.436 31.700 0.026 0.000 0.933 339 L N 2.947 124.214 121.223 0.073 0.000 2.457 339 L HA 0.340 4.680 4.340 -0.000 0.000 0.252 339 L C 0.142 177.062 176.870 0.083 0.000 1.132 339 L CA -0.227 54.658 54.840 0.075 0.000 0.938 339 L CB 0.875 42.994 42.059 0.099 0.000 1.246 339 L HN 0.199 nan 8.230 nan 0.000 0.476 340 E N 2.180 122.412 120.200 0.053 0.000 2.176 340 E HA 0.586 4.936 4.350 -0.000 0.000 0.267 340 E C -0.526 176.090 176.600 0.026 0.000 0.893 340 E CA -0.482 55.946 56.400 0.046 0.000 0.761 340 E CB 2.763 32.478 29.700 0.025 0.000 1.133 340 E HN 0.431 nan 8.360 nan 0.000 0.409 341 A N 2.481 125.321 122.820 0.033 0.000 2.327 341 A HA 0.546 4.866 4.320 -0.000 0.000 0.283 341 A C -0.269 177.263 177.584 -0.087 0.000 1.127 341 A CA -0.499 51.532 52.037 -0.010 0.000 0.810 341 A CB 0.774 19.794 19.000 0.032 0.000 1.066 341 A HN 0.345 nan 8.150 nan 0.000 0.492 342 V N 2.178 122.033 119.914 -0.099 0.000 2.604 342 V HA 0.396 4.515 4.120 -0.000 0.000 0.305 342 V C 0.225 176.231 176.094 -0.148 0.000 1.043 342 V CA 0.538 62.759 62.300 -0.131 0.000 0.888 342 V CB 1.426 33.199 31.823 -0.083 0.000 0.995 342 V HN 1.197 nan 8.190 nan 0.000 0.429 343 D N 3.987 124.271 120.400 -0.194 0.000 2.837 343 D HA -0.176 4.463 4.640 -0.000 0.000 0.230 343 D C 1.057 177.263 176.300 -0.158 0.000 1.152 343 D CA 2.000 55.902 54.000 -0.162 0.000 0.736 343 D CB -1.059 39.684 40.800 -0.095 0.000 1.084 343 D HN 1.654 nan 8.370 nan 0.000 0.429 344 G N -1.193 107.459 108.800 -0.246 0.000 2.160 344 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.251 344 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.251 344 G C 0.122 175.003 174.900 -0.031 0.000 1.008 344 G CA 0.419 45.444 45.100 -0.124 0.000 0.724 344 G HN 0.627 nan 8.290 nan 0.000 0.514 345 L N -0.652 120.541 121.223 -0.050 0.000 2.381 345 L HA 0.754 5.094 4.340 -0.000 0.000 0.274 345 L C 0.028 176.888 176.870 -0.016 0.000 0.988 345 L CA -1.105 53.723 54.840 -0.020 0.000 0.824 345 L CB 1.988 44.030 42.059 -0.028 0.000 1.263 345 L HN 0.171 nan 8.230 nan 0.000 0.410 346 M N 6.992 126.593 119.600 0.000 0.000 2.149 346 M HA 0.544 5.024 4.480 -0.000 0.000 0.342 346 M C -2.576 173.708 176.300 -0.027 0.000 1.068 346 M CA -1.955 53.346 55.300 0.002 0.000 0.991 346 M CB 1.489 34.108 32.600 0.031 0.000 1.596 346 M HN 0.111 nan 8.290 nan 0.000 0.439 347 P HA 0.140 nan 4.420 nan 0.000 0.278 347 P C -0.966 176.287 177.300 -0.079 0.000 1.238 347 P CA -0.363 62.708 63.100 -0.049 0.000 0.794 347 P CB 0.711 32.390 31.700 -0.035 0.000 0.955 348 V N 4.997 124.839 119.914 -0.120 0.000 2.470 348 V HA 0.106 4.225 4.120 -0.000 0.000 0.276 348 V C -1.498 174.512 176.094 -0.141 0.000 1.040 348 V CA -1.171 61.003 62.300 -0.210 0.000 1.008 348 V CB -0.037 31.618 31.823 -0.281 0.000 0.990 348 V HN 0.596 nan 8.190 nan 0.000 0.477 349 P HA 0.135 nan 4.420 nan 0.000 0.271 349 P C -0.435 176.878 177.300 0.022 0.000 1.233 349 P CA -0.128 62.962 63.100 -0.018 0.000 0.764 349 P CB 0.575 32.289 31.700 0.025 0.000 0.825 350 Q N 1.422 121.229 119.800 0.011 0.000 2.394 350 Q HA 0.535 4.874 4.340 -0.000 0.000 0.248 350 Q C 0.780 176.795 176.000 0.025 0.000 0.992 350 Q CA 0.353 56.167 55.803 0.017 0.000 0.888 350 Q CB 0.718 29.457 28.738 0.002 0.000 1.257 350 Q HN 0.823 nan 8.270 nan 0.000 0.462 351 G N 1.398 110.209 108.800 0.019 0.000 2.371 351 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.663 351 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.663 351 G C -3.031 171.859 174.900 -0.016 0.000 1.311 351 G CA -1.183 43.917 45.100 -0.001 0.000 0.985 351 G HN 0.475 nan 8.290 nan 0.000 0.566 352 P HA 0.479 nan 4.420 nan 0.000 0.274 352 P C 1.359 178.582 177.300 -0.127 0.000 1.246 352 P CA 1.445 64.495 63.100 -0.083 0.000 0.795 352 P CB 0.710 32.360 31.700 -0.084 0.000 1.006 353 G N 1.451 110.143 108.800 -0.180 0.000 2.652 353 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.318 353 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.318 353 G C 1.177 175.791 174.900 -0.476 0.000 1.295 353 G CA 1.723 46.662 45.100 -0.267 0.000 0.999 353 G HN 0.717 nan 8.290 nan 0.000 0.548 354 T N -0.972 113.318 114.554 -0.440 0.000 2.929 354 T HA 0.293 4.643 4.350 -0.000 0.000 0.271 354 T C 2.729 177.383 174.700 -0.078 0.000 1.085 354 T CA 1.937 63.772 62.100 -0.441 0.000 1.125 354 T CB -0.511 68.149 68.868 -0.346 0.000 0.874 354 T HN 2.771 nan 8.240 nan 0.000 0.494 355 G N 0.782 109.545 108.800 -0.062 0.000 2.153 355 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.252 355 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.252 355 G C 0.184 175.099 174.900 0.024 0.000 0.994 355 G CA 0.503 45.617 45.100 0.024 0.000 0.698 355 G HN 1.566 nan 8.290 nan 0.000 0.521 356 V N -3.910 116.007 119.914 0.005 0.000 3.113 356 V HA 1.021 5.141 4.120 -0.000 0.000 0.316 356 V C -0.065 176.035 176.094 0.010 0.000 1.125 356 V CA -0.282 62.029 62.300 0.017 0.000 1.026 356 V CB 2.186 34.029 31.823 0.034 0.000 1.080 356 V HN 0.625 nan 8.190 nan 0.000 0.444 357 T N 2.365 116.931 114.554 0.020 0.000 2.991 357 T HA 0.526 4.876 4.350 -0.000 0.000 0.303 357 T C -0.549 174.169 174.700 0.031 0.000 1.015 357 T CA -0.415 61.697 62.100 0.021 0.000 1.007 357 T CB 1.332 70.211 68.868 0.018 0.000 1.034 357 T HN 0.767 nan 8.240 nan 0.000 0.446 358 L N 2.706 123.949 121.223 0.033 0.000 2.453 358 L HA 0.184 4.523 4.340 -0.000 0.000 0.272 358 L C 0.600 177.502 176.870 0.054 0.000 1.182 358 L CA -0.206 54.660 54.840 0.043 0.000 0.858 358 L CB 0.376 42.457 42.059 0.037 0.000 1.120 358 L HN 0.653 nan 8.230 nan 0.000 0.474 359 D N 3.763 124.210 120.400 0.078 0.000 2.422 359 D HA 0.053 4.693 4.640 -0.000 0.000 0.227 359 D C 1.000 177.366 176.300 0.110 0.000 1.190 359 D CA -0.212 53.849 54.000 0.102 0.000 0.905 359 D CB 0.722 41.605 40.800 0.138 0.000 1.034 359 D HN 0.333 nan 8.370 nan 0.000 0.507 360 R N 2.600 123.143 120.500 0.072 0.000 2.073 360 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 360 R C 1.647 177.971 176.300 0.041 0.000 1.120 360 R CA 0.714 56.843 56.100 0.048 0.000 0.967 360 R CB -0.073 30.250 30.300 0.039 0.000 0.862 360 R HN 0.606 nan 8.270 nan 0.000 0.436 361 E N -0.325 119.912 120.200 0.061 0.000 2.049 361 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 361 E C 1.777 178.425 176.600 0.079 0.000 1.007 361 E CA 1.556 57.994 56.400 0.063 0.000 0.809 361 E CB -0.250 29.499 29.700 0.081 0.000 0.749 361 E HN 0.219 nan 8.360 nan 0.000 0.450 362 F N 1.049 120.998 119.950 -0.003 0.000 2.146 362 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 362 F C 2.210 178.001 175.800 -0.015 0.000 1.096 362 F CA 0.840 58.836 58.000 -0.007 0.000 1.275 362 F CB -0.067 38.928 39.000 -0.009 0.000 1.008 362 F HN 0.017 nan 8.300 nan 0.000 0.480 363 L N 1.147 122.267 121.223 -0.172 0.000 2.079 363 L HA -0.110 4.229 4.340 -0.000 0.000 0.210 363 L C 2.398 179.119 176.870 -0.249 0.000 1.081 363 L CA 2.020 56.712 54.840 -0.247 0.000 0.752 363 L CB -1.291 40.725 42.059 -0.072 0.000 0.896 363 L HN 0.171 nan 8.230 nan 0.000 0.433 364 A N -0.986 121.740 122.820 -0.156 0.000 1.940 364 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 364 A C 2.363 179.860 177.584 -0.145 0.000 1.176 364 A CA 2.328 54.297 52.037 -0.113 0.000 0.631 364 A CB -1.419 17.548 19.000 -0.056 0.000 0.814 364 A HN 0.650 nan 8.150 nan 0.000 0.446 365 T N -2.354 112.076 114.554 -0.207 0.000 3.072 365 T HA 0.059 4.409 4.350 -0.000 0.000 0.266 365 T C 1.060 175.625 174.700 -0.225 0.000 1.127 365 T CA 1.366 63.356 62.100 -0.184 0.000 1.107 365 T CB -0.362 68.420 68.868 -0.144 0.000 0.910 365 T HN 0.837 nan 8.240 nan 0.000 0.513 366 V N -2.527 117.192 119.914 -0.325 0.000 3.380 366 V HA 0.392 4.512 4.120 -0.000 0.000 0.307 366 V C 0.484 176.477 176.094 -0.168 0.000 1.434 366 V CA -0.655 61.496 62.300 -0.249 0.000 1.075 366 V CB -0.561 31.052 31.823 -0.351 0.000 0.954 366 V HN 0.193 nan 8.190 nan 0.000 0.444 367 T N 3.161 117.626 114.554 -0.148 0.000 2.870 367 T HA 0.205 4.555 4.350 -0.000 0.000 0.300 367 T C 1.090 175.747 174.700 -0.072 0.000 0.989 367 T CA 0.887 62.928 62.100 -0.099 0.000 1.139 367 T CB 1.060 69.879 68.868 -0.083 0.000 0.920 367 T HN 0.858 nan 8.240 nan 0.000 0.537 368 E N 2.021 122.186 120.200 -0.058 0.000 2.473 368 E HA 0.476 4.826 4.350 -0.000 0.000 0.204 368 E C 0.235 176.813 176.600 -0.037 0.000 0.994 368 E CA -0.449 55.923 56.400 -0.046 0.000 0.945 368 E CB 0.584 30.257 29.700 -0.045 0.000 0.990 368 E HN 0.522 nan 8.360 nan 0.000 0.493 369 A N 1.318 124.117 122.820 -0.034 0.000 2.594 369 A HA 0.502 4.821 4.320 -0.000 0.000 0.296 369 A C -1.733 175.838 177.584 -0.022 0.000 1.061 369 A CA -0.905 51.117 52.037 -0.025 0.000 0.689 369 A CB 1.450 20.439 19.000 -0.019 0.000 1.280 369 A HN 0.246 nan 8.150 nan 0.000 0.406 370 Q N 0.760 120.548 119.800 -0.020 0.000 2.426 370 Q HA 0.749 5.088 4.340 -0.000 0.000 0.278 370 Q C -1.445 174.538 176.000 -0.028 0.000 1.007 370 Q CA -0.915 54.878 55.803 -0.016 0.000 0.850 370 Q CB 2.060 30.788 28.738 -0.017 0.000 1.427 370 Q HN 0.670 nan 8.270 nan 0.000 0.391 371 E N 0.677 120.858 120.200 -0.031 0.000 2.383 371 E HA 0.493 4.843 4.350 -0.000 0.000 0.275 371 E C -1.542 174.986 176.600 -0.119 0.000 0.918 371 E CA -0.925 55.412 56.400 -0.106 0.000 0.764 371 E CB 2.833 32.462 29.700 -0.117 0.000 1.252 371 E HN 0.597 nan 8.360 nan 0.000 0.449 372 E N 1.020 121.090 120.200 -0.217 0.000 2.199 372 E HA 0.295 4.645 4.350 -0.000 0.000 0.269 372 E C -1.330 175.074 176.600 -0.328 0.000 0.899 372 E CA -0.623 55.687 56.400 -0.149 0.000 0.772 372 E CB 1.023 30.680 29.700 -0.072 0.000 1.155 372 E HN 0.386 nan 8.360 nan 0.000 0.408 373 H N 3.145 122.245 119.070 0.049 0.000 2.538 373 H HA 0.518 5.074 4.556 -0.000 0.000 0.353 373 H C -0.329 175.032 175.328 0.055 0.000 1.109 373 H CA -0.677 55.398 56.048 0.046 0.000 1.192 373 H CB 1.515 31.306 29.762 0.047 0.000 1.555 373 H HN 0.407 nan 8.280 nan 0.000 0.518 374 R N 0.718 121.306 120.500 0.147 0.000 2.912 374 R HA 0.629 4.968 4.340 -0.000 0.000 0.262 374 R C 0.005 176.365 176.300 0.100 0.000 1.057 374 R CA -0.996 55.169 56.100 0.107 0.000 0.981 374 R CB 1.988 32.325 30.300 0.062 0.000 1.201 374 R HN 0.655 nan 8.270 nan 0.000 0.484 375 A N 0.000 122.868 122.820 0.080 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.077 52.037 0.067 0.000 0.836 375 A CB 0.000 19.029 19.000 0.049 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486