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 1yyd_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVcPDGTRVS HAAccAFIPL AQDLQETIFQ NEcGEDAHEV IRLTFHDAIA DATA SEQUENCE ISRSQGPKAG GGADGSMLLF PTVEPNFSAN NGIDDSVNNL IPFMQKHNTI DATA SEQUENCE SAADLVQFAG AVALSNcPGA PRLEFLAGRP NKTIAAVDGL IPEPQDSVTK DATA SEQUENCE ILQRFEDAGG FTPFEVVSLL ASHSVARADK VDQTIDAAPF DSTPFTFDTQ DATA SEQUENCE VFLEVLLKGV GFPGSANNTG EVASPLPLGS GSDTGEMRLQ SDFALAHDPR DATA SEQUENCE TAcIWQGFVN EQAFMAASFR AAMSKLAVLG HNRNSLIDcS DVVPVPKPAT DATA SEQUENCE GQPAMFPAST GPQDLELScP SERFPTLTTQ PGASQSLIAH cPDGSMScPG DATA SEQUENCE VQFNGPA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.009 0.000 1.274 1 A CA 0.000 52.039 52.037 0.004 0.000 0.836 1 A CB 0.000 19.015 19.000 0.025 0.000 0.831 2 V N 1.103 121.025 119.914 0.014 0.000 2.384 2 V HA 0.406 4.526 4.120 0.001 0.000 0.287 2 V C 0.197 176.304 176.094 0.022 0.000 1.020 2 V CA -0.580 61.730 62.300 0.016 0.000 0.850 2 V CB 0.944 32.774 31.823 0.012 0.000 0.987 2 V HN 1.080 nan 8.190 nan 0.000 0.436 3 c N 6.513 125.129 118.600 0.028 0.000 2.520 3 c HA 0.292 4.862 4.570 0.001 0.000 0.376 3 c C -0.491 173.614 174.090 0.025 0.000 1.268 3 c CA -0.943 55.404 56.329 0.031 0.000 2.414 3 c CB 0.829 43.364 42.510 0.042 0.000 2.521 3 c HN 0.685 nan 8.230 nan 0.000 0.618 4 P HA -0.171 nan 4.420 nan 0.000 0.217 4 P C 1.057 178.368 177.300 0.019 0.000 1.148 4 P CA 1.647 64.757 63.100 0.017 0.000 0.834 4 P CB -0.102 31.607 31.700 0.014 0.000 0.783 5 D N -1.569 118.845 120.400 0.025 0.000 2.363 5 D HA -0.017 4.623 4.640 0.001 0.000 0.226 5 D C 1.437 177.751 176.300 0.024 0.000 1.020 5 D CA 1.048 55.063 54.000 0.026 0.000 0.892 5 D CB -0.787 40.034 40.800 0.035 0.000 0.900 5 D HN 0.267 nan 8.370 nan 0.000 0.531 6 G N -0.422 108.392 108.800 0.022 0.000 2.175 6 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 6 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 6 G C 0.367 175.280 174.900 0.023 0.000 0.982 6 G CA 0.298 45.410 45.100 0.020 0.000 0.641 6 G HN 0.465 nan 8.290 nan 0.000 0.527 7 T N 1.133 115.705 114.554 0.029 0.000 2.851 7 T HA 0.467 4.817 4.350 0.001 0.000 0.298 7 T C 0.537 175.254 174.700 0.028 0.000 0.977 7 T CA -0.064 62.055 62.100 0.032 0.000 1.126 7 T CB 1.547 70.441 68.868 0.044 0.000 0.916 7 T HN 0.512 nan 8.240 nan 0.000 0.529 8 R N 2.633 123.146 120.500 0.022 0.000 2.265 8 R HA 0.516 4.856 4.340 0.001 0.000 0.314 8 R C -0.398 175.911 176.300 0.015 0.000 1.053 8 R CA -0.455 55.653 56.100 0.014 0.000 0.931 8 R CB 0.225 30.529 30.300 0.007 0.000 1.024 8 R HN 0.569 nan 8.270 nan 0.000 0.457 9 V N 1.061 120.981 119.914 0.010 0.000 3.141 9 V HA 0.404 4.524 4.120 0.001 0.000 0.312 9 V C 1.103 177.171 176.094 -0.045 0.000 1.157 9 V CA -0.188 62.118 62.300 0.011 0.000 1.041 9 V CB 1.663 33.516 31.823 0.050 0.000 1.071 9 V HN 0.919 nan 8.190 nan 0.000 0.441 10 S N 0.009 115.662 115.700 -0.078 0.000 2.359 10 S HA -0.112 4.358 4.470 0.001 0.000 0.223 10 S C 0.699 174.961 174.600 -0.563 0.000 1.039 10 S CA 1.461 59.494 58.200 -0.279 0.000 1.042 10 S CB -0.829 62.275 63.200 -0.160 0.000 0.915 10 S HN 0.961 nan 8.310 nan 0.000 0.439 11 H N -1.355 117.733 119.070 0.030 0.000 2.930 11 H HA 0.613 5.169 4.556 0.001 0.000 0.371 11 H C 0.936 176.289 175.328 0.042 0.000 1.169 11 H CA -0.338 55.728 56.048 0.030 0.000 1.157 11 H CB 1.716 31.492 29.762 0.024 0.000 1.789 11 H HN 0.283 nan 8.280 nan 0.000 0.547 12 A N 1.673 124.585 122.820 0.153 0.000 1.972 12 A HA -0.104 4.217 4.320 0.001 0.000 0.219 12 A C 2.203 179.857 177.584 0.116 0.000 1.169 12 A CA 1.828 53.927 52.037 0.103 0.000 0.635 12 A CB -0.654 18.388 19.000 0.071 0.000 0.810 12 A HN 0.755 nan 8.150 nan 0.000 0.446 13 A N -1.273 121.629 122.820 0.136 0.000 2.125 13 A HA -0.113 4.207 4.320 0.001 0.000 0.219 13 A C 2.018 179.733 177.584 0.218 0.000 1.156 13 A CA 1.500 53.615 52.037 0.130 0.000 0.671 13 A CB -1.062 17.994 19.000 0.093 0.000 0.794 13 A HN 0.624 nan 8.150 nan 0.000 0.459 14 c N -2.044 116.698 118.600 0.236 0.000 2.514 14 c HA -0.016 4.554 4.570 0.001 0.000 0.271 14 c C 2.615 176.875 174.090 0.284 0.000 1.399 14 c CA 0.017 56.538 56.329 0.321 0.000 1.765 14 c CB -1.904 40.737 42.510 0.218 0.000 1.893 14 c HN 0.760 nan 8.230 nan 0.000 0.531 15 c N 1.311 120.006 118.600 0.158 0.000 2.413 15 c HA -0.133 4.437 4.570 0.001 0.000 0.277 15 c C 3.071 177.195 174.090 0.055 0.000 1.265 15 c CA 1.564 57.952 56.329 0.098 0.000 1.752 15 c CB -1.384 41.162 42.510 0.061 0.000 1.998 15 c HN 0.717 nan 8.230 nan 0.000 0.489 16 A N -0.652 122.154 122.820 -0.024 0.000 2.067 16 A HA -0.049 4.271 4.320 0.001 0.000 0.219 16 A C 1.675 179.111 177.584 -0.246 0.000 1.158 16 A CA 1.129 53.079 52.037 -0.146 0.000 0.661 16 A CB -0.697 18.154 19.000 -0.249 0.000 0.801 16 A HN 0.585 nan 8.150 nan 0.000 0.452 17 F N -0.143 119.717 119.950 -0.150 0.000 2.502 17 F HA 0.027 4.555 4.527 0.001 0.000 0.298 17 F C 1.904 177.617 175.800 -0.145 0.000 1.111 17 F CA 0.583 58.352 58.000 -0.384 0.000 1.445 17 F CB -0.308 38.176 39.000 -0.859 0.000 1.081 17 F HN 0.164 nan 8.300 nan 0.000 0.558 18 I N 1.178 121.815 120.570 0.112 0.000 2.163 18 I HA -0.182 3.988 4.170 0.001 0.000 0.240 18 I C -0.274 175.917 176.117 0.124 0.000 1.081 18 I CA 1.139 62.522 61.300 0.138 0.000 1.353 18 I CB -1.799 36.266 38.000 0.109 0.000 1.054 18 I HN -0.032 nan 8.210 nan 0.000 0.407 19 P HA -0.151 nan 4.420 nan 0.000 0.223 19 P C 1.861 179.239 177.300 0.131 0.000 1.151 19 P CA 1.131 64.314 63.100 0.139 0.000 0.787 19 P CB 0.016 31.812 31.700 0.160 0.000 0.788 20 L N 0.485 121.700 121.223 -0.013 0.000 2.027 20 L HA -0.008 4.333 4.340 0.001 0.000 0.206 20 L C 2.514 179.386 176.870 0.003 0.000 1.074 20 L CA 2.014 56.678 54.840 -0.295 0.000 0.745 20 L CB -1.554 40.294 42.059 -0.352 0.000 0.898 20 L HN -0.097 nan 8.230 nan 0.000 0.433 21 A N -0.769 122.191 122.820 0.233 0.000 1.883 21 A HA -0.282 4.039 4.320 0.001 0.000 0.217 21 A C 2.155 179.787 177.584 0.079 0.000 1.186 21 A CA 1.983 54.129 52.037 0.181 0.000 0.624 21 A CB -0.690 18.453 19.000 0.237 0.000 0.822 21 A HN 0.694 nan 8.150 nan 0.000 0.444 22 Q N -0.952 118.907 119.800 0.098 0.000 2.135 22 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 22 Q C 1.762 177.813 176.000 0.085 0.000 0.981 22 Q CA 1.456 57.308 55.803 0.083 0.000 0.856 22 Q CB -0.267 28.525 28.738 0.091 0.000 0.902 22 Q HN 0.676 nan 8.270 nan 0.000 0.425 23 D N 0.660 121.131 120.400 0.119 0.000 2.123 23 D HA -0.076 4.565 4.640 0.001 0.000 0.200 23 D C 1.837 178.231 176.300 0.156 0.000 0.976 23 D CA 0.733 54.861 54.000 0.214 0.000 0.831 23 D CB 0.002 41.036 40.800 0.391 0.000 0.974 23 D HN 0.148 nan 8.370 nan 0.000 0.469 24 L N 0.267 121.435 121.223 -0.093 0.000 2.046 24 L HA -0.175 4.165 4.340 0.001 0.000 0.208 24 L C 2.666 179.321 176.870 -0.357 0.000 1.077 24 L CA 0.959 55.516 54.840 -0.472 0.000 0.747 24 L CB -0.377 41.360 42.059 -0.536 0.000 0.896 24 L HN 0.056 nan 8.230 nan 0.000 0.432 25 Q N 0.036 119.787 119.800 -0.081 0.000 2.046 25 Q HA -0.210 4.130 4.340 0.001 0.000 0.200 25 Q C 2.111 178.115 176.000 0.007 0.000 0.975 25 Q CA 1.555 57.376 55.803 0.030 0.000 0.836 25 Q CB -0.176 28.602 28.738 0.066 0.000 0.896 25 Q HN 0.597 nan 8.270 nan 0.000 0.428 26 E N -0.393 119.821 120.200 0.024 0.000 2.106 26 E HA -0.095 4.255 4.350 0.001 0.000 0.192 26 E C 1.795 178.416 176.600 0.035 0.000 0.984 26 E CA 1.444 57.866 56.400 0.037 0.000 0.806 26 E CB 0.154 29.889 29.700 0.059 0.000 0.750 26 E HN 0.287 nan 8.360 nan 0.000 0.458 27 T N 0.556 115.145 114.554 0.059 0.000 2.983 27 T HA 0.060 4.411 4.350 0.001 0.000 0.250 27 T C 2.002 176.708 174.700 0.010 0.000 1.037 27 T CA 0.868 63.033 62.100 0.108 0.000 1.142 27 T CB 0.156 69.227 68.868 0.339 0.000 0.876 27 T HN 0.253 nan 8.240 nan 0.000 0.455 28 I N -3.370 117.106 120.570 -0.156 0.000 4.456 28 I HA 0.425 4.595 4.170 0.001 0.000 0.329 28 I C 1.395 177.394 176.117 -0.197 0.000 1.313 28 I CA 0.053 61.211 61.300 -0.237 0.000 1.205 28 I CB 0.040 37.850 38.000 -0.317 0.000 1.179 28 I HN 0.069 nan 8.210 nan 0.000 0.419 29 F N 1.210 121.128 119.950 -0.052 0.000 2.559 29 F HA 0.219 4.746 4.527 0.001 0.000 0.286 29 F C 0.694 176.447 175.800 -0.077 0.000 1.108 29 F CA -0.370 57.582 58.000 -0.081 0.000 1.436 29 F CB 0.173 39.115 39.000 -0.097 0.000 1.130 29 F HN -0.031 nan 8.300 nan 0.000 0.584 30 Q N 1.001 120.857 119.800 0.093 0.000 2.457 30 Q HA -0.301 4.040 4.340 0.001 0.000 0.283 30 Q C -0.267 175.752 176.000 0.033 0.000 1.234 30 Q CA 0.885 56.711 55.803 0.039 0.000 0.877 30 Q CB -2.399 26.339 28.738 0.000 0.000 1.250 30 Q HN 0.490 nan 8.270 nan 0.000 0.481 31 N N -1.492 117.246 118.700 0.065 0.000 2.708 31 N HA -0.186 4.555 4.740 0.001 0.000 0.251 31 N C -0.933 174.566 175.510 -0.018 0.000 1.123 31 N CA 1.692 54.755 53.050 0.023 0.000 0.739 31 N CB -0.149 38.342 38.487 0.006 0.000 1.113 31 N HN 0.521 nan 8.380 nan 0.000 0.561 32 E N -0.633 119.552 120.200 -0.024 0.000 2.212 32 E HA 0.315 4.665 4.350 0.001 0.000 0.270 32 E C -0.147 176.389 176.600 -0.107 0.000 0.956 32 E CA -0.572 55.781 56.400 -0.077 0.000 0.825 32 E CB 1.694 31.323 29.700 -0.118 0.000 1.167 32 E HN 0.201 nan 8.360 nan 0.000 0.400 33 c N 3.386 121.936 118.600 -0.084 0.000 2.874 33 c HA 0.466 5.036 4.570 0.001 0.000 0.523 33 c C 0.719 174.725 174.090 -0.140 0.000 1.234 33 c CA -0.291 56.007 56.329 -0.053 0.000 1.485 33 c CB -1.963 40.612 42.510 0.108 0.000 1.916 33 c HN 0.640 nan 8.230 nan 0.000 0.630 34 G N 0.866 109.481 108.800 -0.308 0.000 2.671 34 G HA2 0.328 4.289 3.960 0.001 0.000 0.275 34 G HA3 0.328 4.289 3.960 0.001 0.000 0.275 34 G C 0.599 175.173 174.900 -0.543 0.000 1.368 34 G CA 0.033 44.919 45.100 -0.358 0.000 1.044 34 G HN 0.428 nan 8.290 nan 0.000 0.543 35 E N -0.367 119.675 120.200 -0.263 0.000 2.065 35 E HA -0.174 4.176 4.350 0.001 0.000 0.201 35 E C 1.740 178.307 176.600 -0.056 0.000 1.016 35 E CA 2.252 58.576 56.400 -0.127 0.000 0.818 35 E CB -0.170 29.499 29.700 -0.051 0.000 0.749 35 E HN 0.393 nan 8.360 nan 0.000 0.453 36 D N -0.673 119.725 120.400 -0.002 0.000 2.183 36 D HA 0.001 4.641 4.640 0.001 0.000 0.203 36 D C 1.712 178.144 176.300 0.221 0.000 0.969 36 D CA 1.315 55.389 54.000 0.123 0.000 0.842 36 D CB -0.434 40.454 40.800 0.147 0.000 0.957 36 D HN 0.318 nan 8.370 nan 0.000 0.484 37 A N 0.369 123.226 122.820 0.062 0.000 1.877 37 A HA -0.224 4.096 4.320 0.001 0.000 0.216 37 A C 1.846 179.397 177.584 -0.054 0.000 1.186 37 A CA 1.563 53.426 52.037 -0.289 0.000 0.620 37 A CB -1.070 17.651 19.000 -0.465 0.000 0.822 37 A HN 0.394 nan 8.150 nan 0.000 0.443 38 H N -0.794 118.252 119.070 -0.039 0.000 2.319 38 H HA -0.118 4.438 4.556 0.001 0.000 0.299 38 H C 2.082 177.419 175.328 0.014 0.000 1.092 38 H CA 1.032 57.068 56.048 -0.021 0.000 1.302 38 H CB 0.103 29.843 29.762 -0.035 0.000 1.373 38 H HN 0.422 nan 8.280 nan 0.000 0.497 39 E N 0.537 120.835 120.200 0.164 0.000 2.110 39 E HA -0.106 4.245 4.350 0.001 0.000 0.193 39 E C 2.485 179.155 176.600 0.117 0.000 0.988 39 E CA 0.509 56.977 56.400 0.114 0.000 0.804 39 E CB -0.140 29.617 29.700 0.095 0.000 0.745 39 E HN 0.278 nan 8.360 nan 0.000 0.458 40 V N 1.287 121.286 119.914 0.142 0.000 2.453 40 V HA -0.190 3.930 4.120 0.001 0.000 0.247 40 V C 2.321 178.486 176.094 0.119 0.000 1.048 40 V CA 1.044 63.431 62.300 0.146 0.000 1.049 40 V CB -0.345 31.617 31.823 0.232 0.000 0.672 40 V HN 0.181 nan 8.190 nan 0.000 0.457 41 I N -0.089 120.539 120.570 0.098 0.000 2.226 41 I HA -0.250 3.920 4.170 0.001 0.000 0.245 41 I C 2.703 178.945 176.117 0.208 0.000 1.100 41 I CA 1.725 63.106 61.300 0.135 0.000 1.374 41 I CB -0.489 37.587 38.000 0.127 0.000 1.057 41 I HN 0.223 nan 8.210 nan 0.000 0.413 42 R N 1.201 121.819 120.500 0.196 0.000 2.091 42 R HA -0.223 4.117 4.340 0.001 0.000 0.238 42 R C 2.380 178.825 176.300 0.241 0.000 1.136 42 R CA 1.655 57.908 56.100 0.256 0.000 0.959 42 R CB -0.360 30.026 30.300 0.144 0.000 0.856 42 R HN 0.270 nan 8.270 nan 0.000 0.437 43 L N 1.484 122.788 121.223 0.135 0.000 2.131 43 L HA -0.146 4.195 4.340 0.001 0.000 0.210 43 L C 2.403 179.388 176.870 0.191 0.000 1.092 43 L CA 2.528 57.443 54.840 0.125 0.000 0.759 43 L CB -0.801 41.317 42.059 0.098 0.000 0.903 43 L HN 0.434 nan 8.230 nan 0.000 0.435 44 T N -2.811 111.869 114.554 0.210 0.000 2.720 44 T HA -0.318 4.032 4.350 0.001 0.000 0.268 44 T C 1.885 176.748 174.700 0.272 0.000 1.037 44 T CA 1.873 64.103 62.100 0.217 0.000 1.144 44 T CB -1.212 67.772 68.868 0.194 0.000 0.864 44 T HN 0.465 nan 8.240 nan 0.000 0.444 45 F N 1.390 121.452 119.950 0.187 0.000 2.128 45 F HA -0.005 4.523 4.527 0.001 0.000 0.295 45 F C 2.687 178.600 175.800 0.188 0.000 1.100 45 F CA 1.378 59.485 58.000 0.179 0.000 1.260 45 F CB -0.193 38.938 39.000 0.219 0.000 1.009 45 F HN 0.210 nan 8.300 nan 0.000 0.476 46 H N -1.077 117.854 119.070 -0.232 0.000 2.457 46 H HA -0.156 4.400 4.556 0.001 0.000 0.294 46 H C 1.463 176.696 175.328 -0.158 0.000 1.064 46 H CA 1.207 57.059 56.048 -0.326 0.000 1.330 46 H CB -0.129 29.568 29.762 -0.109 0.000 1.395 46 H HN 0.363 nan 8.280 nan 0.000 0.541 47 D N 0.730 121.181 120.400 0.085 0.000 2.103 47 D HA -0.070 4.570 4.640 0.001 0.000 0.199 47 D C 2.321 178.649 176.300 0.047 0.000 0.978 47 D CA 1.196 55.244 54.000 0.079 0.000 0.829 47 D CB -0.071 40.802 40.800 0.122 0.000 0.981 47 D HN 0.288 nan 8.370 nan 0.000 0.464 48 A N 0.049 122.904 122.820 0.059 0.000 1.897 48 A HA -0.053 4.267 4.320 0.001 0.000 0.215 48 A C 2.228 179.824 177.584 0.019 0.000 1.181 48 A CA 0.854 52.943 52.037 0.086 0.000 0.620 48 A CB -0.641 18.457 19.000 0.163 0.000 0.821 48 A HN 0.322 nan 8.150 nan 0.000 0.443 49 I N -0.159 120.337 120.570 -0.123 0.000 3.001 49 I HA 0.066 4.236 4.170 0.001 0.000 0.268 49 I C 1.468 177.484 176.117 -0.167 0.000 1.267 49 I CA 0.386 61.571 61.300 -0.192 0.000 1.472 49 I CB -0.197 37.501 38.000 -0.504 0.000 1.089 49 I HN 0.216 nan 8.210 nan 0.000 0.468 50 A N 1.818 124.562 122.820 -0.127 0.000 2.990 50 A HA 0.473 4.793 4.320 0.001 0.000 0.282 50 A C 0.066 177.630 177.584 -0.034 0.000 1.688 50 A CA -0.018 51.974 52.037 -0.075 0.000 1.391 50 A CB -0.860 18.122 19.000 -0.029 0.000 1.112 50 A HN 0.355 nan 8.150 nan 0.000 0.588 51 I N 0.484 121.032 120.570 -0.037 0.000 2.787 51 I HA 0.516 4.686 4.170 0.001 0.000 0.294 51 I C -1.031 175.074 176.117 -0.020 0.000 1.365 51 I CA -0.197 61.090 61.300 -0.022 0.000 1.029 51 I CB 2.160 40.154 38.000 -0.009 0.000 1.313 51 I HN 0.258 nan 8.210 nan 0.000 0.431 52 S N 5.655 121.344 115.700 -0.018 0.000 2.672 52 S HA 0.511 4.982 4.470 0.001 0.000 0.291 52 S C 0.525 175.119 174.600 -0.010 0.000 1.145 52 S CA -0.661 57.531 58.200 -0.012 0.000 1.013 52 S CB 1.733 64.921 63.200 -0.019 0.000 1.017 52 S HN 0.821 nan 8.310 nan 0.000 0.487 53 R N 1.911 122.409 120.500 -0.002 0.000 2.096 53 R HA -0.062 4.279 4.340 0.001 0.000 0.235 53 R C 2.353 178.650 176.300 -0.006 0.000 1.127 53 R CA 1.960 58.057 56.100 -0.006 0.000 0.968 53 R CB -0.231 30.068 30.300 -0.001 0.000 0.861 53 R HN 0.786 nan 8.270 nan 0.000 0.440 54 S N 0.267 115.966 115.700 -0.002 0.000 2.395 54 S HA -0.110 4.360 4.470 0.001 0.000 0.225 54 S C 1.835 176.430 174.600 -0.008 0.000 1.027 54 S CA 0.548 58.746 58.200 -0.003 0.000 0.965 54 S CB -0.025 63.176 63.200 0.002 0.000 0.812 54 S HN 0.315 nan 8.310 nan 0.000 0.482 55 Q N 1.142 120.935 119.800 -0.012 0.000 2.311 55 Q HA 0.358 4.698 4.340 0.001 0.000 0.203 55 Q C 1.071 177.062 176.000 -0.016 0.000 0.954 55 Q CA 0.364 56.158 55.803 -0.016 0.000 0.885 55 Q CB -0.130 28.595 28.738 -0.021 0.000 0.963 55 Q HN 0.754 nan 8.270 nan 0.000 0.471 56 G N 0.487 109.277 108.800 -0.016 0.000 2.661 56 G HA2 -0.169 3.791 3.960 0.001 0.000 0.685 56 G HA3 -0.169 3.791 3.960 0.001 0.000 0.685 56 G C -2.453 172.434 174.900 -0.022 0.000 1.298 56 G CA -0.651 44.438 45.100 -0.018 0.000 0.855 56 G HN -0.062 nan 8.290 nan 0.000 0.560 57 P HA 0.004 nan 4.420 nan 0.000 0.221 57 P C 1.703 178.986 177.300 -0.028 0.000 1.145 57 P CA 1.254 64.337 63.100 -0.028 0.000 0.795 57 P CB 0.057 31.742 31.700 -0.026 0.000 0.775 58 K N -0.291 120.093 120.400 -0.026 0.000 2.362 58 K HA 0.022 4.342 4.320 0.001 0.000 0.200 58 K C 1.896 178.476 176.600 -0.034 0.000 1.046 58 K CA 1.049 57.318 56.287 -0.029 0.000 0.952 58 K CB -0.980 31.505 32.500 -0.025 0.000 0.753 58 K HN 0.035 nan 8.250 nan 0.000 0.466 59 A N -0.426 122.376 122.820 -0.030 0.000 2.072 59 A HA 0.339 4.659 4.320 0.001 0.000 0.216 59 A C 0.813 178.382 177.584 -0.026 0.000 1.156 59 A CA 1.015 53.034 52.037 -0.029 0.000 0.701 59 A CB 0.066 19.049 19.000 -0.029 0.000 0.816 59 A HN 0.276 nan 8.150 nan 0.000 0.458 60 G N -3.582 105.201 108.800 -0.029 0.000 2.376 60 G HA2 0.432 4.392 3.960 0.001 0.000 0.302 60 G HA3 0.432 4.392 3.960 0.001 0.000 0.302 60 G C 0.149 175.033 174.900 -0.026 0.000 1.586 60 G CA -0.008 45.077 45.100 -0.024 0.000 0.907 60 G HN 0.783 nan 8.290 nan 0.000 0.655 61 G N -0.658 108.131 108.800 -0.018 0.000 3.337 61 G HA2 0.626 4.586 3.960 0.001 0.000 0.246 61 G HA3 0.626 4.586 3.960 0.001 0.000 0.246 61 G C 1.265 176.141 174.900 -0.041 0.000 1.131 61 G CA 1.428 46.506 45.100 -0.036 0.000 0.773 61 G HN 2.359 nan 8.290 nan 0.000 0.544 62 G N 0.221 109.019 108.800 -0.004 0.000 2.509 62 G HA2 0.153 4.113 3.960 0.001 0.000 0.259 62 G HA3 0.153 4.113 3.960 0.001 0.000 0.259 62 G C 0.709 175.660 174.900 0.085 0.000 1.169 62 G CA 0.040 45.155 45.100 0.024 0.000 0.953 62 G HN 1.390 nan 8.290 nan 0.000 0.563 63 A N 1.261 124.170 122.820 0.148 0.000 2.981 63 A HA 0.501 4.821 4.320 0.001 0.000 0.280 63 A C 0.962 178.721 177.584 0.293 0.000 1.797 63 A CA 1.369 53.535 52.037 0.216 0.000 1.456 63 A CB -0.651 18.494 19.000 0.242 0.000 1.057 63 A HN 1.281 nan 8.150 nan 0.000 0.602 64 D N -0.114 120.416 120.400 0.215 0.000 2.539 64 D HA 0.211 4.852 4.640 0.001 0.000 0.232 64 D C 0.959 177.370 176.300 0.185 0.000 1.256 64 D CA 0.541 54.675 54.000 0.223 0.000 0.810 64 D CB -0.538 40.356 40.800 0.156 0.000 1.090 64 D HN 0.927 nan 8.370 nan 0.000 0.519 65 G N 1.094 109.995 108.800 0.168 0.000 2.168 65 G HA2 -0.392 3.568 3.960 0.001 0.000 0.263 65 G HA3 -0.392 3.568 3.960 0.001 0.000 0.263 65 G C 1.270 176.263 174.900 0.156 0.000 0.977 65 G CA 1.133 46.322 45.100 0.150 0.000 0.659 65 G HN 0.753 nan 8.290 nan 0.000 0.533 66 S N -0.597 115.213 115.700 0.183 0.000 2.400 66 S HA -0.094 4.376 4.470 0.001 0.000 0.232 66 S C 2.310 177.046 174.600 0.226 0.000 1.025 66 S CA 1.756 60.114 58.200 0.263 0.000 0.993 66 S CB -0.278 63.035 63.200 0.187 0.000 0.808 66 S HN 0.376 nan 8.310 nan 0.000 0.478 67 M N 1.046 120.728 119.600 0.138 0.000 2.229 67 M HA 0.102 4.582 4.480 0.001 0.000 0.264 67 M C 2.131 178.482 176.300 0.085 0.000 1.063 67 M CA 1.126 56.483 55.300 0.096 0.000 1.114 67 M CB -1.059 31.590 32.600 0.082 0.000 1.387 67 M HN 0.413 nan 8.290 nan 0.000 0.420 68 L N -0.931 120.343 121.223 0.084 0.000 2.162 68 L HA -0.070 4.270 4.340 0.001 0.000 0.205 68 L C 2.183 179.049 176.870 -0.007 0.000 1.086 68 L CA 0.583 55.453 54.840 0.050 0.000 0.778 68 L CB -0.533 41.562 42.059 0.060 0.000 0.928 68 L HN 0.232 nan 8.230 nan 0.000 0.446 69 L N -1.214 119.993 121.223 -0.027 0.000 2.341 69 L HA -0.008 4.332 4.340 0.001 0.000 0.214 69 L C 0.182 176.713 176.870 -0.565 0.000 1.115 69 L CA 0.730 55.412 54.840 -0.264 0.000 0.820 69 L CB 0.102 41.988 42.059 -0.288 0.000 0.944 69 L HN 0.114 nan 8.230 nan 0.000 0.452 70 F N -0.228 119.722 119.950 0.001 0.000 2.523 70 F HA 0.304 4.832 4.527 0.001 0.000 0.322 70 F C -1.618 174.160 175.800 -0.037 0.000 1.361 70 F CA -1.651 56.340 58.000 -0.015 0.000 1.151 70 F CB 0.452 39.441 39.000 -0.018 0.000 1.391 70 F HN -0.160 nan 8.300 nan 0.000 0.566 71 P HA -0.097 nan 4.420 nan 0.000 0.226 71 P C 1.285 178.592 177.300 0.012 0.000 1.153 71 P CA 1.182 64.299 63.100 0.029 0.000 0.777 71 P CB -0.054 31.653 31.700 0.011 0.000 0.794 72 T N -4.243 110.327 114.554 0.026 0.000 3.144 72 T HA 0.195 4.545 4.350 0.001 0.000 0.249 72 T C 1.304 175.985 174.700 -0.032 0.000 1.089 72 T CA -0.069 62.034 62.100 0.005 0.000 0.989 72 T CB -0.553 68.330 68.868 0.024 0.000 0.992 72 T HN -0.156 nan 8.240 nan 0.000 0.540 73 V N 1.159 121.032 119.914 -0.067 0.000 3.064 73 V HA 0.169 4.289 4.120 0.001 0.000 0.215 73 V C 2.455 178.184 176.094 -0.609 0.000 1.167 73 V CA 0.481 62.664 62.300 -0.195 0.000 1.286 73 V CB -0.391 31.375 31.823 -0.096 0.000 1.103 73 V HN 0.310 nan 8.190 nan 0.000 0.510 74 E N 0.864 120.652 120.200 -0.688 0.000 2.110 74 E HA -0.172 4.179 4.350 0.001 0.000 0.193 74 E C -0.719 175.501 176.600 -0.632 0.000 0.988 74 E CA 1.716 57.443 56.400 -1.122 0.000 0.804 74 E CB -1.081 28.373 29.700 -0.409 0.000 0.745 74 E HN 0.519 nan 8.360 nan 0.000 0.458 75 P HA -0.114 nan 4.420 nan 0.000 0.226 75 P C 0.051 177.299 177.300 -0.086 0.000 1.146 75 P CA 1.211 64.241 63.100 -0.116 0.000 0.773 75 P CB 0.027 31.695 31.700 -0.053 0.000 0.772 76 N N -2.231 116.380 118.700 -0.148 0.000 2.280 76 N HA 0.074 4.814 4.740 0.001 0.000 0.192 76 N C -0.267 175.311 175.510 0.113 0.000 1.109 76 N CA -0.286 52.754 53.050 -0.018 0.000 0.855 76 N CB -0.058 38.425 38.487 -0.007 0.000 0.974 76 N HN -0.023 nan 8.380 nan 0.000 0.482 77 F N 1.164 121.141 119.950 0.046 0.000 2.459 77 F HA 0.052 4.580 4.527 0.001 0.000 0.346 77 F C 2.035 177.865 175.800 0.050 0.000 1.128 77 F CA -1.352 56.672 58.000 0.040 0.000 1.268 77 F CB 0.542 39.562 39.000 0.034 0.000 1.161 77 F HN 0.033 nan 8.300 nan 0.000 0.583 78 S N 1.476 117.316 115.700 0.232 0.000 2.383 78 S HA -0.205 4.265 4.470 0.001 0.000 0.229 78 S C 1.934 176.629 174.600 0.157 0.000 1.030 78 S CA 0.851 59.140 58.200 0.150 0.000 1.002 78 S CB -0.778 62.480 63.200 0.097 0.000 0.829 78 S HN 0.673 nan 8.310 nan 0.000 0.467 79 A N 1.953 124.875 122.820 0.171 0.000 2.168 79 A HA 0.095 4.415 4.320 0.001 0.000 0.215 79 A C 1.674 179.405 177.584 0.246 0.000 1.152 79 A CA 0.858 52.998 52.037 0.172 0.000 0.716 79 A CB -0.407 18.665 19.000 0.119 0.000 0.794 79 A HN 0.527 nan 8.150 nan 0.000 0.465 80 N N 0.598 119.451 118.700 0.256 0.000 2.251 80 N HA 0.010 4.750 4.740 0.001 0.000 0.217 80 N C -0.175 175.420 175.510 0.142 0.000 1.124 80 N CA -0.138 53.063 53.050 0.252 0.000 0.843 80 N CB -0.216 38.394 38.487 0.206 0.000 1.024 80 N HN 0.367 nan 8.380 nan 0.000 0.501 81 N N 0.920 119.703 118.700 0.138 0.000 2.359 81 N HA 0.038 4.778 4.740 0.001 0.000 0.261 81 N C 1.345 176.897 175.510 0.070 0.000 1.267 81 N CA 1.625 54.732 53.050 0.095 0.000 0.864 81 N CB 0.204 38.749 38.487 0.096 0.000 1.063 81 N HN 0.424 nan 8.380 nan 0.000 0.474 82 G N 3.503 112.332 108.800 0.047 0.000 2.234 82 G HA2 -0.230 3.730 3.960 0.001 0.000 0.235 82 G HA3 -0.230 3.730 3.960 0.001 0.000 0.235 82 G C 0.885 175.790 174.900 0.008 0.000 0.997 82 G CA 0.167 45.286 45.100 0.031 0.000 0.623 82 G HN 0.542 nan 8.290 nan 0.000 0.514 83 I N 2.869 123.432 120.570 -0.012 0.000 3.001 83 I HA -0.007 4.163 4.170 0.001 0.000 0.268 83 I C 2.495 178.614 176.117 0.003 0.000 1.267 83 I CA 1.980 63.255 61.300 -0.041 0.000 1.472 83 I CB -0.817 37.139 38.000 -0.074 0.000 1.089 83 I HN 0.494 nan 8.210 nan 0.000 0.468 84 D N 0.857 121.267 120.400 0.017 0.000 2.158 84 D HA -0.255 4.385 4.640 0.001 0.000 0.197 84 D C 1.445 177.772 176.300 0.044 0.000 0.995 84 D CA 1.302 55.319 54.000 0.029 0.000 0.846 84 D CB -0.574 40.243 40.800 0.029 0.000 0.941 84 D HN 0.209 nan 8.370 nan 0.000 0.456 85 D N 0.424 120.850 120.400 0.044 0.000 2.104 85 D HA -0.145 4.495 4.640 0.001 0.000 0.194 85 D C 2.346 178.693 176.300 0.078 0.000 0.994 85 D CA 2.337 56.371 54.000 0.057 0.000 0.830 85 D CB -0.442 40.386 40.800 0.047 0.000 0.959 85 D HN 0.424 nan 8.370 nan 0.000 0.452 86 S N 0.035 115.779 115.700 0.072 0.000 2.383 86 S HA -0.106 4.364 4.470 0.001 0.000 0.227 86 S C 2.290 176.954 174.600 0.105 0.000 1.026 86 S CA 0.866 59.123 58.200 0.095 0.000 0.981 86 S CB -0.719 62.533 63.200 0.086 0.000 0.818 86 S HN 0.088 nan 8.310 nan 0.000 0.472 87 V N 3.395 123.359 119.914 0.083 0.000 2.295 87 V HA -0.165 3.955 4.120 0.001 0.000 0.246 87 V C 2.482 178.638 176.094 0.103 0.000 1.049 87 V CA 2.055 64.406 62.300 0.085 0.000 1.024 87 V CB -1.003 30.855 31.823 0.058 0.000 0.648 87 V HN 0.494 nan 8.190 nan 0.000 0.447 88 N N 0.522 119.285 118.700 0.105 0.000 2.309 88 N HA -0.111 4.629 4.740 0.001 0.000 0.182 88 N C 1.618 177.256 175.510 0.214 0.000 1.018 88 N CA 0.970 54.096 53.050 0.127 0.000 0.876 88 N CB -0.487 38.069 38.487 0.116 0.000 0.972 88 N HN 0.442 nan 8.380 nan 0.000 0.434 89 N N 0.519 119.363 118.700 0.240 0.000 2.270 89 N HA 0.054 4.794 4.740 0.001 0.000 0.181 89 N C 1.609 177.370 175.510 0.418 0.000 1.016 89 N CA 0.395 53.674 53.050 0.381 0.000 0.870 89 N CB 0.017 38.653 38.487 0.248 0.000 0.979 89 N HN 0.283 nan 8.380 nan 0.000 0.431 90 L N -0.109 121.279 121.223 0.275 0.000 2.354 90 L HA 0.182 4.522 4.340 0.001 0.000 0.212 90 L C 1.869 178.899 176.870 0.267 0.000 1.091 90 L CA 0.144 55.163 54.840 0.297 0.000 0.828 90 L CB -0.050 42.105 42.059 0.160 0.000 0.973 90 L HN 0.049 nan 8.230 nan 0.000 0.461 91 I N 0.957 121.616 120.570 0.147 0.000 2.194 91 I HA -0.245 3.925 4.170 0.001 0.000 0.246 91 I C -0.405 175.710 176.117 -0.004 0.000 1.093 91 I CA 1.672 63.009 61.300 0.062 0.000 1.355 91 I CB -1.203 36.809 38.000 0.021 0.000 1.046 91 I HN 0.208 nan 8.210 nan 0.000 0.413 92 P HA -0.144 nan 4.420 nan 0.000 0.218 92 P C 1.441 178.557 177.300 -0.305 0.000 1.149 92 P CA 1.489 64.386 63.100 -0.338 0.000 0.817 92 P CB -0.051 31.204 31.700 -0.742 0.000 0.785 93 F N -1.658 118.273 119.950 -0.031 0.000 2.206 93 F HA 0.007 4.534 4.527 0.001 0.000 0.298 93 F C 2.549 178.405 175.800 0.093 0.000 1.090 93 F CA 0.981 59.033 58.000 0.087 0.000 1.323 93 F CB -1.017 38.018 39.000 0.058 0.000 1.028 93 F HN -0.160 nan 8.300 nan 0.000 0.492 94 M N 0.111 119.830 119.600 0.199 0.000 2.117 94 M HA -0.278 4.202 4.480 0.001 0.000 0.262 94 M C 2.049 178.375 176.300 0.043 0.000 1.065 94 M CA 1.898 57.266 55.300 0.113 0.000 1.114 94 M CB -0.228 32.418 32.600 0.075 0.000 1.361 94 M HN 0.200 nan 8.290 nan 0.000 0.408 95 Q N -0.207 119.584 119.800 -0.014 0.000 2.119 95 Q HA -0.199 4.141 4.340 0.001 0.000 0.201 95 Q C 2.051 178.000 176.000 -0.085 0.000 0.972 95 Q CA 1.672 57.438 55.803 -0.062 0.000 0.847 95 Q CB -0.096 28.581 28.738 -0.102 0.000 0.903 95 Q HN 0.558 nan 8.270 nan 0.000 0.433 96 K N -0.024 120.312 120.400 -0.107 0.000 2.098 96 K HA -0.049 4.272 4.320 0.001 0.000 0.203 96 K C 0.504 176.946 176.600 -0.263 0.000 1.051 96 K CA 0.555 56.719 56.287 -0.204 0.000 0.957 96 K CB 0.334 32.669 32.500 -0.276 0.000 0.738 96 K HN 0.196 nan 8.250 nan 0.000 0.447 97 H N 2.126 121.175 119.070 -0.036 0.000 2.680 97 H HA 0.038 4.594 4.556 0.001 0.000 0.224 97 H C -0.109 175.183 175.328 -0.061 0.000 1.866 97 H CA -0.072 55.952 56.048 -0.041 0.000 1.302 97 H CB -0.011 29.746 29.762 -0.008 0.000 1.709 97 H HN 0.387 nan 8.280 nan 0.000 0.537 98 N N 0.206 118.889 118.700 -0.028 0.000 2.362 98 N HA -0.083 4.657 4.740 0.001 0.000 0.204 98 N C 1.052 176.542 175.510 -0.033 0.000 1.166 98 N CA 0.009 53.043 53.050 -0.026 0.000 0.831 98 N CB -0.110 38.349 38.487 -0.046 0.000 1.008 98 N HN 0.277 nan 8.380 nan 0.000 0.472 99 T N -2.986 111.541 114.554 -0.046 0.000 3.069 99 T HA 0.362 4.712 4.350 0.001 0.000 0.252 99 T C 0.479 175.131 174.700 -0.079 0.000 1.053 99 T CA -0.343 61.724 62.100 -0.056 0.000 0.964 99 T CB -0.119 68.708 68.868 -0.068 0.000 1.005 99 T HN 0.102 nan 8.240 nan 0.000 0.532 100 I N 3.180 123.698 120.570 -0.086 0.000 2.378 100 I HA 0.351 4.522 4.170 0.001 0.000 0.291 100 I C 0.485 176.612 176.117 0.018 0.000 0.992 100 I CA -1.017 60.222 61.300 -0.102 0.000 1.154 100 I CB 1.939 39.776 38.000 -0.272 0.000 1.315 100 I HN 0.248 nan 8.210 nan 0.000 0.448 101 S N 4.577 120.318 115.700 0.069 0.000 2.576 101 S HA 0.195 4.666 4.470 0.001 0.000 0.272 101 S C 1.325 175.991 174.600 0.111 0.000 1.352 101 S CA -0.079 58.170 58.200 0.083 0.000 1.021 101 S CB 1.403 64.657 63.200 0.091 0.000 0.887 101 S HN 0.754 nan 8.310 nan 0.000 0.542 102 A N 2.418 125.295 122.820 0.096 0.000 1.917 102 A HA 0.040 4.361 4.320 0.001 0.000 0.219 102 A C 2.436 180.107 177.584 0.146 0.000 1.182 102 A CA 2.053 54.156 52.037 0.110 0.000 0.633 102 A CB -1.713 17.337 19.000 0.083 0.000 0.819 102 A HN 1.387 nan 8.150 nan 0.000 0.448 103 A N -0.136 122.775 122.820 0.150 0.000 1.877 103 A HA -0.180 4.140 4.320 0.001 0.000 0.216 103 A C 1.791 179.499 177.584 0.206 0.000 1.186 103 A CA 1.969 54.109 52.037 0.171 0.000 0.620 103 A CB -0.608 18.492 19.000 0.166 0.000 0.822 103 A HN 0.460 nan 8.150 nan 0.000 0.443 104 D N -0.498 120.043 120.400 0.235 0.000 2.117 104 D HA -0.111 4.529 4.640 0.001 0.000 0.198 104 D C 1.862 178.439 176.300 0.462 0.000 0.982 104 D CA 1.235 55.474 54.000 0.399 0.000 0.828 104 D CB -0.447 40.651 40.800 0.498 0.000 0.967 104 D HN 0.351 nan 8.370 nan 0.000 0.464 105 L N 0.589 122.007 121.223 0.325 0.000 2.012 105 L HA -0.163 4.177 4.340 0.001 0.000 0.210 105 L C 2.121 179.135 176.870 0.240 0.000 1.073 105 L CA 1.504 56.505 54.840 0.268 0.000 0.748 105 L CB -0.628 41.538 42.059 0.178 0.000 0.891 105 L HN -0.099 nan 8.230 nan 0.000 0.431 106 V N -0.249 119.792 119.914 0.212 0.000 2.295 106 V HA -0.281 3.840 4.120 0.001 0.000 0.246 106 V C 2.745 178.955 176.094 0.194 0.000 1.049 106 V CA 1.886 64.295 62.300 0.181 0.000 1.024 106 V CB -0.702 31.223 31.823 0.170 0.000 0.648 106 V HN 0.543 nan 8.190 nan 0.000 0.447 107 Q N -1.066 118.886 119.800 0.254 0.000 2.079 107 Q HA -0.166 4.174 4.340 0.001 0.000 0.200 107 Q C 2.063 178.189 176.000 0.211 0.000 0.974 107 Q CA 1.867 57.832 55.803 0.270 0.000 0.840 107 Q CB -0.607 28.343 28.738 0.354 0.000 0.898 107 Q HN 0.693 nan 8.270 nan 0.000 0.430 108 F N 1.071 121.005 119.950 -0.027 0.000 2.146 108 F HA -0.151 4.377 4.527 0.001 0.000 0.298 108 F C 2.131 177.815 175.800 -0.194 0.000 1.096 108 F CA 1.198 58.911 58.000 -0.478 0.000 1.275 108 F CB -0.028 38.571 39.000 -0.669 0.000 1.008 108 F HN 0.073 nan 8.300 nan 0.000 0.480 109 A N 0.277 123.084 122.820 -0.022 0.000 1.972 109 A HA -0.082 4.239 4.320 0.001 0.000 0.219 109 A C 2.405 179.952 177.584 -0.063 0.000 1.169 109 A CA 1.629 53.647 52.037 -0.032 0.000 0.635 109 A CB -1.765 17.281 19.000 0.077 0.000 0.810 109 A HN 0.509 nan 8.150 nan 0.000 0.446 110 G N -0.510 108.269 108.800 -0.036 0.000 2.418 110 G HA2 0.011 3.972 3.960 0.001 0.000 0.217 110 G HA3 0.011 3.972 3.960 0.001 0.000 0.217 110 G C 1.737 176.556 174.900 -0.136 0.000 1.158 110 G CA 1.361 46.436 45.100 -0.042 0.000 0.771 110 G HN 0.784 nan 8.290 nan 0.000 0.545 111 A N 0.030 122.735 122.820 -0.191 0.000 1.933 111 A HA 0.113 4.434 4.320 0.001 0.000 0.218 111 A C 2.591 179.971 177.584 -0.341 0.000 1.175 111 A CA 1.767 53.661 52.037 -0.239 0.000 0.628 111 A CB -0.522 18.328 19.000 -0.249 0.000 0.814 111 A HN 0.250 nan 8.150 nan 0.000 0.444 112 V N -0.220 119.406 119.914 -0.480 0.000 2.358 112 V HA -0.202 3.918 4.120 0.001 0.000 0.246 112 V C 3.055 178.919 176.094 -0.384 0.000 1.047 112 V CA 1.788 63.839 62.300 -0.415 0.000 1.035 112 V CB -1.213 30.380 31.823 -0.385 0.000 0.658 112 V HN 0.606 nan 8.190 nan 0.000 0.452 113 A N -0.221 122.269 122.820 -0.551 0.000 1.883 113 A HA -0.204 4.116 4.320 0.001 0.000 0.217 113 A C 2.215 179.540 177.584 -0.431 0.000 1.186 113 A CA 1.968 53.498 52.037 -0.846 0.000 0.624 113 A CB -0.650 17.801 19.000 -0.915 0.000 0.822 113 A HN 0.482 nan 8.150 nan 0.000 0.444 114 L N 0.582 121.633 121.223 -0.287 0.000 2.191 114 L HA -0.171 4.169 4.340 0.001 0.000 0.212 114 L C 2.897 179.626 176.870 -0.236 0.000 1.103 114 L CA 1.431 56.136 54.840 -0.226 0.000 0.769 114 L CB -0.288 41.658 42.059 -0.189 0.000 0.908 114 L HN 0.633 nan 8.230 nan 0.000 0.438 115 S N -0.850 114.716 115.700 -0.223 0.000 2.474 115 S HA -0.122 4.348 4.470 0.001 0.000 0.235 115 S C 1.563 176.079 174.600 -0.141 0.000 0.997 115 S CA 0.975 59.071 58.200 -0.174 0.000 0.949 115 S CB -0.409 62.697 63.200 -0.156 0.000 0.766 115 S HN 0.440 nan 8.310 nan 0.000 0.517 116 N N 0.680 119.284 118.700 -0.159 0.000 2.521 116 N HA 0.120 4.860 4.740 0.001 0.000 0.188 116 N C -0.517 174.952 175.510 -0.068 0.000 1.146 116 N CA 0.213 53.195 53.050 -0.113 0.000 0.893 116 N CB -0.376 38.026 38.487 -0.141 0.000 0.975 116 N HN 0.428 nan 8.380 nan 0.000 0.451 117 c N 2.835 121.394 118.600 -0.068 0.000 2.223 117 c HA 0.353 4.924 4.570 0.001 0.000 0.324 117 c C -2.173 171.925 174.090 0.013 0.000 1.196 117 c CA -1.855 54.480 56.329 0.009 0.000 1.628 117 c CB 0.720 43.262 42.510 0.054 0.000 2.229 117 c HN 0.140 nan 8.230 nan 0.000 0.486 118 P HA 0.197 nan 4.420 nan 0.000 0.262 118 P C 1.012 178.348 177.300 0.061 0.000 1.182 118 P CA 1.827 64.944 63.100 0.029 0.000 0.761 118 P CB 0.299 32.021 31.700 0.036 0.000 0.795 119 G N 1.736 110.557 108.800 0.034 0.000 2.217 119 G HA2 -0.179 3.782 3.960 0.001 0.000 0.246 119 G HA3 -0.179 3.782 3.960 0.001 0.000 0.246 119 G C 0.465 175.383 174.900 0.030 0.000 0.990 119 G CA -0.006 45.132 45.100 0.063 0.000 0.627 119 G HN 0.843 nan 8.290 nan 0.000 0.522 120 A N 1.516 124.249 122.820 -0.145 0.000 2.366 120 A HA 0.689 5.010 4.320 0.001 0.000 0.249 120 A C -0.991 176.424 177.584 -0.282 0.000 1.084 120 A CA -0.204 51.502 52.037 -0.551 0.000 0.794 120 A CB 0.329 18.907 19.000 -0.702 0.000 1.034 120 A HN 0.328 nan 8.150 nan 0.000 0.491 121 P HA 0.240 nan 4.420 nan 0.000 0.276 121 P C -0.792 176.449 177.300 -0.099 0.000 1.252 121 P CA -0.612 62.430 63.100 -0.098 0.000 0.802 121 P CB 0.652 32.343 31.700 -0.015 0.000 1.035 122 R N 1.785 122.254 120.500 -0.052 0.000 2.235 122 R HA 0.312 4.652 4.340 0.001 0.000 0.338 122 R C 0.078 176.368 176.300 -0.017 0.000 1.087 122 R CA -0.492 55.583 56.100 -0.042 0.000 0.948 122 R CB -0.516 29.771 30.300 -0.021 0.000 1.099 122 R HN 0.475 nan 8.270 nan 0.000 0.483 123 L N 2.780 123.989 121.223 -0.023 0.000 2.467 123 L HA 0.078 4.418 4.340 0.001 0.000 0.270 123 L C 0.958 177.855 176.870 0.045 0.000 1.205 123 L CA 0.264 55.105 54.840 0.001 0.000 0.828 123 L CB 0.536 42.594 42.059 -0.001 0.000 1.101 123 L HN 0.632 nan 8.230 nan 0.000 0.479 124 E N 1.515 121.741 120.200 0.043 0.000 2.415 124 E HA 0.016 4.366 4.350 0.001 0.000 0.262 124 E C -1.430 175.255 176.600 0.141 0.000 1.038 124 E CA -0.167 56.272 56.400 0.064 0.000 0.921 124 E CB 0.648 30.363 29.700 0.024 0.000 0.950 124 E HN 0.334 nan 8.360 nan 0.000 0.438 125 F N 5.773 125.709 119.950 -0.022 0.000 2.659 125 F HA 0.343 4.870 4.527 0.001 0.000 0.342 125 F C -1.659 174.086 175.800 -0.092 0.000 1.168 125 F CA -0.726 57.250 58.000 -0.039 0.000 1.003 125 F CB 0.601 39.603 39.000 0.003 0.000 1.267 125 F HN 0.308 nan 8.300 nan 0.000 0.463 126 L N 5.521 126.292 121.223 -0.754 0.000 2.343 126 L HA 0.917 5.258 4.340 0.001 0.000 0.275 126 L C 0.020 176.240 176.870 -1.082 0.000 1.056 126 L CA -0.909 53.517 54.840 -0.690 0.000 0.804 126 L CB 1.489 43.332 42.059 -0.360 0.000 1.203 126 L HN 0.732 nan 8.230 nan 0.000 0.440 127 A N 0.456 122.832 122.820 -0.740 0.000 2.435 127 A HA 0.834 5.155 4.320 0.001 0.000 0.296 127 A C 0.410 177.852 177.584 -0.237 0.000 1.147 127 A CA 0.112 51.830 52.037 -0.531 0.000 0.775 127 A CB 1.691 20.465 19.000 -0.377 0.000 1.340 127 A HN 0.960 nan 8.150 nan 0.000 0.427 128 G N -0.420 108.326 108.800 -0.090 0.000 2.175 128 G HA2 -0.144 3.817 3.960 0.001 0.000 0.182 128 G HA3 -0.144 3.817 3.960 0.001 0.000 0.182 128 G C 0.144 174.990 174.900 -0.091 0.000 1.003 128 G CA -0.011 45.049 45.100 -0.067 0.000 0.666 128 G HN 0.832 nan 8.290 nan 0.000 0.506 129 R N 1.005 121.414 120.500 -0.151 0.000 2.537 129 R HA 0.399 4.740 4.340 0.001 0.000 0.280 129 R C -2.159 174.150 176.300 0.014 0.000 1.058 129 R CA -1.133 54.850 56.100 -0.195 0.000 1.057 129 R CB 0.226 30.345 30.300 -0.302 0.000 0.973 129 R HN 0.149 nan 8.270 nan 0.000 0.438 130 P HA -0.021 nan 4.420 nan 0.000 0.271 130 P C -0.214 177.146 177.300 0.100 0.000 1.233 130 P CA -0.025 63.132 63.100 0.094 0.000 0.789 130 P CB 0.530 32.297 31.700 0.111 0.000 0.951 131 N N 0.073 118.818 118.700 0.075 0.000 2.251 131 N HA 0.051 4.792 4.740 0.001 0.000 0.217 131 N C -0.705 174.842 175.510 0.063 0.000 1.124 131 N CA 0.078 53.167 53.050 0.066 0.000 0.843 131 N CB -0.130 38.382 38.487 0.041 0.000 1.024 131 N HN 0.238 nan 8.380 nan 0.000 0.501 132 K N -0.950 119.500 120.400 0.084 0.000 2.378 132 K HA 0.517 4.837 4.320 0.001 0.000 0.252 132 K C -0.687 175.994 176.600 0.135 0.000 0.931 132 K CA -0.793 55.550 56.287 0.095 0.000 0.794 132 K CB 2.348 34.895 32.500 0.078 0.000 1.181 132 K HN -0.122 nan 8.250 nan 0.000 0.425 133 T N 0.868 115.542 114.554 0.201 0.000 2.630 133 T HA 0.597 4.948 4.350 0.001 0.000 0.300 133 T C -1.601 173.258 174.700 0.266 0.000 1.261 133 T CA -0.710 61.513 62.100 0.206 0.000 1.060 133 T CB 0.736 69.718 68.868 0.190 0.000 1.670 133 T HN 0.633 nan 8.240 nan 0.000 0.473 134 I N -0.167 120.456 120.570 0.088 0.000 3.108 134 I HA 0.955 5.126 4.170 0.001 0.000 0.312 134 I C -0.145 175.647 176.117 -0.542 0.000 1.095 134 I CA -1.605 59.549 61.300 -0.244 0.000 1.000 134 I CB 1.759 39.664 38.000 -0.158 0.000 1.229 134 I HN 0.683 nan 8.210 nan 0.000 0.454 135 A N 2.127 124.358 122.820 -0.983 0.000 2.354 135 A HA 0.781 5.101 4.320 0.001 0.000 0.269 135 A C 0.301 177.756 177.584 -0.216 0.000 1.109 135 A CA -0.123 51.546 52.037 -0.613 0.000 0.800 135 A CB 0.309 18.926 19.000 -0.638 0.000 1.045 135 A HN 1.084 nan 8.150 nan 0.000 0.489 136 A N 1.383 124.170 122.820 -0.056 0.000 2.287 136 A HA 0.573 4.894 4.320 0.001 0.000 0.273 136 A C 0.646 178.318 177.584 0.146 0.000 1.091 136 A CA 0.175 52.232 52.037 0.033 0.000 0.817 136 A CB -0.035 19.003 19.000 0.064 0.000 1.069 136 A HN 2.084 nan 8.150 nan 0.000 0.492 137 V N -0.823 119.141 119.914 0.083 0.000 3.036 137 V HA 0.430 4.551 4.120 0.001 0.000 0.308 137 V C 0.267 176.302 176.094 -0.099 0.000 1.070 137 V CA -0.753 61.567 62.300 0.032 0.000 1.056 137 V CB 0.865 32.659 31.823 -0.048 0.000 1.084 137 V HN 0.843 nan 8.190 nan 0.000 0.471 138 D N 0.697 120.789 120.400 -0.513 0.000 2.358 138 D HA 0.485 5.125 4.640 0.001 0.000 0.244 138 D C 1.160 177.233 176.300 -0.378 0.000 1.163 138 D CA 1.186 54.634 54.000 -0.919 0.000 0.945 138 D CB 1.123 41.163 40.800 -1.267 0.000 1.152 138 D HN 1.459 nan 8.370 nan 0.000 0.451 139 G N 0.815 109.449 108.800 -0.276 0.000 2.175 139 G HA2 -0.221 3.739 3.960 0.001 0.000 0.244 139 G HA3 -0.221 3.739 3.960 0.001 0.000 0.244 139 G C 1.055 175.892 174.900 -0.104 0.000 0.982 139 G CA 0.471 45.481 45.100 -0.149 0.000 0.641 139 G HN 0.458 nan 8.290 nan 0.000 0.527 140 L N 0.528 121.691 121.223 -0.100 0.000 2.585 140 L HA 0.374 4.715 4.340 0.001 0.000 0.226 140 L C 0.607 177.384 176.870 -0.155 0.000 1.113 140 L CA -0.069 54.709 54.840 -0.103 0.000 0.876 140 L CB 0.063 42.072 42.059 -0.084 0.000 1.072 140 L HN 0.118 nan 8.230 nan 0.000 0.468 141 I N 1.166 121.648 120.570 -0.146 0.000 2.321 141 I HA 0.336 4.506 4.170 0.001 0.000 0.291 141 I C -2.087 173.965 176.117 -0.109 0.000 0.998 141 I CA -2.524 58.636 61.300 -0.235 0.000 1.227 141 I CB 0.747 38.613 38.000 -0.224 0.000 1.368 141 I HN -0.254 nan 8.210 nan 0.000 0.466 142 P HA 0.168 nan 4.420 nan 0.000 0.269 142 P C -0.554 176.810 177.300 0.107 0.000 1.209 142 P CA 0.011 63.155 63.100 0.074 0.000 0.776 142 P CB 0.788 32.616 31.700 0.213 0.000 0.876 143 E N 3.153 123.418 120.200 0.108 0.000 2.312 143 E HA 0.208 4.559 4.350 0.001 0.000 0.267 143 E C -1.769 174.898 176.600 0.112 0.000 0.894 143 E CA -1.903 54.565 56.400 0.115 0.000 0.773 143 E CB 1.590 31.340 29.700 0.083 0.000 1.241 143 E HN 0.309 nan 8.360 nan 0.000 0.432 144 P HA -0.182 nan 4.420 nan 0.000 0.226 144 P C 0.906 178.246 177.300 0.065 0.000 1.153 144 P CA 1.078 64.229 63.100 0.085 0.000 0.777 144 P CB 0.354 32.098 31.700 0.074 0.000 0.794 145 Q N -0.655 119.184 119.800 0.064 0.000 2.403 145 Q HA 0.036 4.376 4.340 0.001 0.000 0.203 145 Q C -0.257 175.776 176.000 0.054 0.000 0.932 145 Q CA 0.465 56.299 55.803 0.053 0.000 0.945 145 Q CB -0.613 28.152 28.738 0.045 0.000 1.045 145 Q HN 0.169 nan 8.270 nan 0.000 0.511 146 D N 2.770 123.207 120.400 0.062 0.000 2.372 146 D HA 0.074 4.715 4.640 0.001 0.000 0.243 146 D C 0.195 176.530 176.300 0.060 0.000 1.121 146 D CA 0.169 54.205 54.000 0.061 0.000 0.898 146 D CB 1.176 42.020 40.800 0.073 0.000 1.202 146 D HN 0.292 nan 8.370 nan 0.000 0.428 147 S N -0.018 115.714 115.700 0.053 0.000 2.608 147 S HA 0.096 4.566 4.470 0.001 0.000 0.261 147 S C 1.393 176.024 174.600 0.052 0.000 1.314 147 S CA -0.843 57.386 58.200 0.048 0.000 0.992 147 S CB 0.845 64.070 63.200 0.041 0.000 0.935 147 S HN 0.210 nan 8.310 nan 0.000 0.564 148 V N 1.608 121.545 119.914 0.038 0.000 2.343 148 V HA -0.163 3.958 4.120 0.001 0.000 0.247 148 V C 2.823 178.948 176.094 0.051 0.000 1.051 148 V CA 2.460 64.782 62.300 0.036 0.000 1.036 148 V CB -1.664 30.166 31.823 0.011 0.000 0.654 148 V HN 1.043 nan 8.190 nan 0.000 0.451 149 T N -0.494 114.087 114.554 0.046 0.000 2.720 149 T HA -0.271 4.079 4.350 0.001 0.000 0.268 149 T C 1.962 176.702 174.700 0.067 0.000 1.037 149 T CA 2.037 64.168 62.100 0.052 0.000 1.144 149 T CB -0.191 68.701 68.868 0.040 0.000 0.864 149 T HN 0.498 nan 8.240 nan 0.000 0.444 150 K N 0.540 120.979 120.400 0.066 0.000 2.025 150 K HA 0.018 4.338 4.320 0.001 0.000 0.207 150 K C 2.249 178.914 176.600 0.109 0.000 1.049 150 K CA 1.056 57.387 56.287 0.073 0.000 0.933 150 K CB -0.242 32.294 32.500 0.059 0.000 0.714 150 K HN 0.292 nan 8.250 nan 0.000 0.438 151 I N 1.326 121.975 120.570 0.131 0.000 2.142 151 I HA -0.314 3.857 4.170 0.001 0.000 0.240 151 I C 2.238 178.529 176.117 0.289 0.000 1.078 151 I CA 1.226 62.657 61.300 0.219 0.000 1.343 151 I CB -0.257 37.854 38.000 0.185 0.000 1.046 151 I HN 0.190 nan 8.210 nan 0.000 0.405 152 L N 0.030 121.363 121.223 0.184 0.000 2.083 152 L HA -0.229 4.111 4.340 0.001 0.000 0.209 152 L C 2.705 179.703 176.870 0.212 0.000 1.083 152 L CA 1.131 56.079 54.840 0.180 0.000 0.752 152 L CB -0.674 41.447 42.059 0.103 0.000 0.899 152 L HN 0.390 nan 8.230 nan 0.000 0.433 153 Q N 0.648 120.543 119.800 0.159 0.000 2.079 153 Q HA -0.239 4.101 4.340 0.001 0.000 0.200 153 Q C 2.289 178.377 176.000 0.146 0.000 0.974 153 Q CA 1.574 57.456 55.803 0.131 0.000 0.840 153 Q CB 0.011 28.800 28.738 0.086 0.000 0.898 153 Q HN 0.274 nan 8.270 nan 0.000 0.430 154 R N -0.444 120.146 120.500 0.151 0.000 2.081 154 R HA -0.095 4.245 4.340 0.001 0.000 0.235 154 R C 2.127 178.492 176.300 0.108 0.000 1.131 154 R CA 1.587 57.736 56.100 0.081 0.000 0.960 154 R CB -0.759 29.557 30.300 0.025 0.000 0.856 154 R HN 0.231 nan 8.270 nan 0.000 0.436 155 F N 0.579 120.613 119.950 0.140 0.000 2.259 155 F HA -0.022 4.505 4.527 0.001 0.000 0.298 155 F C 2.379 178.364 175.800 0.308 0.000 1.088 155 F CA 1.666 59.807 58.000 0.236 0.000 1.358 155 F CB -0.228 38.874 39.000 0.169 0.000 1.040 155 F HN 0.253 nan 8.300 nan 0.000 0.505 156 E N 0.393 120.811 120.200 0.363 0.000 2.077 156 E HA -0.286 4.065 4.350 0.001 0.000 0.193 156 E C 1.721 178.411 176.600 0.150 0.000 0.989 156 E CA 1.700 58.237 56.400 0.228 0.000 0.800 156 E CB -0.183 29.612 29.700 0.159 0.000 0.746 156 E HN 0.370 nan 8.360 nan 0.000 0.452 157 D N -0.405 120.069 120.400 0.124 0.000 2.178 157 D HA -0.073 4.567 4.640 0.001 0.000 0.202 157 D C 1.762 178.100 176.300 0.063 0.000 0.974 157 D CA 1.357 55.398 54.000 0.069 0.000 0.841 157 D CB -0.030 40.798 40.800 0.047 0.000 0.953 157 D HN 0.280 nan 8.370 nan 0.000 0.478 158 A N -0.607 122.274 122.820 0.100 0.000 1.897 158 A HA 0.287 4.608 4.320 0.001 0.000 0.215 158 A C 1.942 179.588 177.584 0.103 0.000 1.181 158 A CA 1.456 53.550 52.037 0.094 0.000 0.620 158 A CB -0.193 18.866 19.000 0.099 0.000 0.821 158 A HN 0.356 nan 8.150 nan 0.000 0.443 159 G N -3.273 105.586 108.800 0.098 0.000 5.364 159 G HA2 0.458 4.419 3.960 0.001 0.000 0.220 159 G HA3 0.458 4.419 3.960 0.001 0.000 0.220 159 G C 0.850 175.546 174.900 -0.339 0.000 0.838 159 G CA 0.684 45.689 45.100 -0.158 0.000 0.727 159 G HN 1.573 nan 8.290 nan 0.000 0.303 160 G N 0.063 108.799 108.800 -0.107 0.000 2.179 160 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 160 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 160 G C 0.293 175.152 174.900 -0.068 0.000 1.010 160 G CA 0.097 45.149 45.100 -0.080 0.000 0.736 160 G HN 0.520 nan 8.290 nan 0.000 0.513 161 F N 1.725 121.761 119.950 0.143 0.000 2.518 161 F HA 0.430 4.957 4.527 0.001 0.000 0.359 161 F C 1.711 177.578 175.800 0.111 0.000 1.118 161 F CA 0.615 58.700 58.000 0.143 0.000 1.287 161 F CB 0.724 39.851 39.000 0.213 0.000 1.132 161 F HN 0.206 nan 8.300 nan 0.000 0.587 162 T N 0.476 115.200 114.554 0.284 0.000 2.874 162 T HA 0.251 4.601 4.350 0.001 0.000 0.281 162 T C -1.962 172.839 174.700 0.168 0.000 0.994 162 T CA -1.854 60.367 62.100 0.201 0.000 1.015 162 T CB 1.452 70.435 68.868 0.191 0.000 1.028 162 T HN 0.255 nan 8.240 nan 0.000 0.523 163 P HA -0.079 nan 4.420 nan 0.000 0.216 163 P C 1.198 178.549 177.300 0.084 0.000 1.150 163 P CA 0.789 63.933 63.100 0.073 0.000 0.843 163 P CB -0.141 31.608 31.700 0.082 0.000 0.787 164 F N 1.029 120.997 119.950 0.030 0.000 2.095 164 F HA -0.190 4.337 4.527 0.000 0.000 0.298 164 F C 2.005 177.835 175.800 0.051 0.000 1.104 164 F CA 1.681 59.704 58.000 0.038 0.000 1.232 164 F CB -0.576 38.452 39.000 0.045 0.000 0.987 164 F HN -0.084 nan 8.300 nan 0.000 0.475 165 E N -0.321 119.953 120.200 0.123 0.000 2.110 165 E HA -0.178 4.172 4.350 0.001 0.000 0.193 165 E C 2.308 178.791 176.600 -0.194 0.000 0.988 165 E CA 1.456 57.872 56.400 0.027 0.000 0.804 165 E CB -0.304 29.581 29.700 0.309 0.000 0.745 165 E HN 0.310 nan 8.360 nan 0.000 0.458 166 V N 0.798 120.551 119.914 -0.268 0.000 2.295 166 V HA -0.238 3.882 4.120 0.001 0.000 0.246 166 V C 2.310 178.154 176.094 -0.415 0.000 1.049 166 V CA 1.435 63.378 62.300 -0.595 0.000 1.024 166 V CB -0.375 31.041 31.823 -0.679 0.000 0.648 166 V HN 0.144 nan 8.190 nan 0.000 0.447 167 V N -0.313 119.466 119.914 -0.225 0.000 2.427 167 V HA -0.221 3.900 4.120 0.001 0.000 0.248 167 V C 2.557 178.569 176.094 -0.136 0.000 1.051 167 V CA 2.087 64.341 62.300 -0.077 0.000 1.048 167 V CB -0.674 31.184 31.823 0.059 0.000 0.666 167 V HN 0.533 nan 8.190 nan 0.000 0.456 168 S N 0.192 115.718 115.700 -0.290 0.000 2.370 168 S HA -0.163 4.307 4.470 0.001 0.000 0.226 168 S C 1.890 176.397 174.600 -0.154 0.000 1.033 168 S CA 1.595 59.551 58.200 -0.406 0.000 1.011 168 S CB -0.390 62.540 63.200 -0.451 0.000 0.852 168 S HN 0.490 nan 8.310 nan 0.000 0.457 169 L N 0.797 121.924 121.223 -0.159 0.000 2.201 169 L HA -0.009 4.332 4.340 0.001 0.000 0.212 169 L C 1.759 178.601 176.870 -0.046 0.000 1.105 169 L CA 0.757 55.569 54.840 -0.046 0.000 0.775 169 L CB -0.383 41.512 42.059 -0.275 0.000 0.913 169 L HN 0.286 nan 8.230 nan 0.000 0.440 170 L N -0.511 120.583 121.223 -0.215 0.000 2.610 170 L HA -0.025 4.315 4.340 0.001 0.000 0.232 170 L C 2.516 179.167 176.870 -0.364 0.000 1.149 170 L CA 0.086 54.716 54.840 -0.349 0.000 0.872 170 L CB -0.431 41.437 42.059 -0.320 0.000 0.992 170 L HN 0.193 nan 8.230 nan 0.000 0.447 171 A N 0.073 122.737 122.820 -0.261 0.000 2.070 171 A HA -0.195 4.125 4.320 0.001 0.000 0.220 171 A C 2.474 179.641 177.584 -0.695 0.000 1.159 171 A CA 1.644 53.378 52.037 -0.506 0.000 0.656 171 A CB -0.439 18.205 19.000 -0.594 0.000 0.800 171 A HN 0.535 nan 8.150 nan 0.000 0.453 172 S N -0.655 114.816 115.700 -0.382 0.000 2.442 172 S HA -0.223 4.247 4.470 0.001 0.000 0.236 172 S C 1.442 176.002 174.600 -0.068 0.000 1.007 172 S CA 1.294 59.398 58.200 -0.158 0.000 0.965 172 S CB -1.053 62.218 63.200 0.119 0.000 0.773 172 S HN 0.798 nan 8.310 nan 0.000 0.504 173 H N 0.561 119.480 119.070 -0.253 0.000 2.563 173 H HA 0.163 4.719 4.556 0.001 0.000 0.272 173 H C 2.003 177.172 175.328 -0.265 0.000 1.005 173 H CA 0.505 56.474 56.048 -0.132 0.000 1.171 173 H CB 0.064 29.792 29.762 -0.056 0.000 1.351 173 H HN 0.510 nan 8.280 nan 0.000 0.602 174 S N 0.873 116.354 115.700 -0.366 0.000 2.515 174 S HA -0.058 4.413 4.470 0.001 0.000 0.231 174 S C 1.100 175.481 174.600 -0.366 0.000 0.987 174 S CA 0.646 58.581 58.200 -0.441 0.000 0.936 174 S CB 0.003 62.789 63.200 -0.690 0.000 0.766 174 S HN 0.313 nan 8.310 nan 0.000 0.528 175 V N -0.982 118.722 119.914 -0.350 0.000 2.575 175 V HA 0.891 5.011 4.120 0.001 0.000 0.281 175 V C -0.485 175.118 176.094 -0.819 0.000 1.087 175 V CA -0.307 61.736 62.300 -0.429 0.000 1.193 175 V CB -0.090 31.653 31.823 -0.134 0.000 1.426 175 V HN 0.307 nan 8.190 nan 0.000 0.623 176 A N 2.121 124.517 122.820 -0.707 0.000 2.547 176 A HA 0.973 5.293 4.320 0.001 0.000 0.297 176 A C -0.549 176.478 177.584 -0.927 0.000 1.056 176 A CA -0.876 50.729 52.037 -0.720 0.000 0.688 176 A CB 2.127 20.871 19.000 -0.427 0.000 1.282 176 A HN 0.615 nan 8.150 nan 0.000 0.400 177 R N 0.129 120.125 120.500 -0.840 0.000 2.855 177 R HA 0.827 5.167 4.340 0.001 0.000 0.266 177 R C -0.756 175.140 176.300 -0.673 0.000 1.034 177 R CA -0.775 54.833 56.100 -0.820 0.000 0.944 177 R CB 2.465 32.547 30.300 -0.362 0.000 1.219 177 R HN 0.992 nan 8.270 nan 0.000 0.474 178 A N 0.661 123.217 122.820 -0.440 0.000 2.304 178 A HA 0.382 4.703 4.320 0.001 0.000 0.314 178 A C -0.607 176.961 177.584 -0.027 0.000 1.187 178 A CA -0.652 51.308 52.037 -0.128 0.000 0.810 178 A CB 0.731 19.786 19.000 0.092 0.000 1.183 178 A HN 0.759 nan 8.150 nan 0.000 0.487 179 D N 1.152 121.557 120.400 0.009 0.000 2.388 179 D HA 0.042 4.683 4.640 0.001 0.000 0.208 179 D C 0.872 177.200 176.300 0.046 0.000 1.035 179 D CA 0.663 54.681 54.000 0.031 0.000 0.875 179 D CB 0.547 41.366 40.800 0.032 0.000 0.984 179 D HN 0.453 nan 8.370 nan 0.000 0.508 180 K N 0.351 120.789 120.400 0.062 0.000 2.391 180 K HA 0.186 4.507 4.320 0.001 0.000 0.197 180 K C 1.938 178.582 176.600 0.073 0.000 1.087 180 K CA 0.072 56.398 56.287 0.066 0.000 1.012 180 K CB 0.667 33.211 32.500 0.073 0.000 0.925 180 K HN -0.024 nan 8.250 nan 0.000 0.547 181 V N 1.690 121.658 119.914 0.090 0.000 2.427 181 V HA -0.128 3.992 4.120 0.001 0.000 0.248 181 V C 0.865 177.001 176.094 0.070 0.000 1.051 181 V CA 1.432 63.788 62.300 0.094 0.000 1.048 181 V CB -0.173 31.726 31.823 0.127 0.000 0.666 181 V HN 0.272 nan 8.190 nan 0.000 0.456 182 D N -0.809 119.631 120.400 0.066 0.000 2.391 182 D HA 0.177 4.817 4.640 0.001 0.000 0.245 182 D C 0.436 176.758 176.300 0.036 0.000 1.069 182 D CA -0.451 53.577 54.000 0.047 0.000 0.831 182 D CB 1.915 42.748 40.800 0.054 0.000 1.204 182 D HN -0.028 nan 8.370 nan 0.000 0.503 183 Q N 1.490 121.304 119.800 0.025 0.000 2.444 183 Q HA 0.000 4.341 4.340 0.001 0.000 0.206 183 Q C 1.562 177.573 176.000 0.017 0.000 0.948 183 Q CA 0.632 56.448 55.803 0.023 0.000 0.946 183 Q CB 0.187 28.936 28.738 0.019 0.000 1.027 183 Q HN 0.670 nan 8.270 nan 0.000 0.513 184 T N -2.820 111.743 114.554 0.016 0.000 3.037 184 T HA 0.239 4.589 4.350 0.001 0.000 0.251 184 T C 1.116 175.824 174.700 0.013 0.000 1.079 184 T CA -0.092 62.015 62.100 0.011 0.000 1.067 184 T CB -0.049 68.823 68.868 0.007 0.000 0.948 184 T HN 0.226 nan 8.240 nan 0.000 0.496 185 I N -1.806 118.776 120.570 0.021 0.000 2.934 185 I HA 0.779 4.949 4.170 0.001 0.000 0.306 185 I C -1.740 174.391 176.117 0.025 0.000 1.110 185 I CA -1.327 59.984 61.300 0.019 0.000 1.019 185 I CB 2.229 40.245 38.000 0.027 0.000 1.227 185 I HN -0.274 nan 8.210 nan 0.000 0.434 186 D N 2.701 123.114 120.400 0.022 0.000 2.299 186 D HA 0.581 5.221 4.640 0.001 0.000 0.243 186 D C 0.273 176.605 176.300 0.055 0.000 0.982 186 D CA 0.414 54.437 54.000 0.038 0.000 0.924 186 D CB 1.971 42.797 40.800 0.044 0.000 1.238 186 D HN 1.024 nan 8.370 nan 0.000 0.484 187 A N 0.543 123.395 122.820 0.054 0.000 2.687 187 A HA -0.039 4.281 4.320 0.001 0.000 0.299 187 A C 0.440 178.029 177.584 0.007 0.000 1.497 187 A CA 0.793 52.861 52.037 0.053 0.000 0.751 187 A CB -1.930 17.200 19.000 0.217 0.000 1.048 187 A HN 0.681 nan 8.150 nan 0.000 0.464 188 A N 1.160 123.957 122.820 -0.039 0.000 2.395 188 A HA 0.600 4.921 4.320 0.001 0.000 0.286 188 A C -1.386 176.100 177.584 -0.163 0.000 1.193 188 A CA -0.907 51.106 52.037 -0.041 0.000 0.852 188 A CB 0.074 19.088 19.000 0.024 0.000 1.118 188 A HN 0.530 nan 8.150 nan 0.000 0.524 189 P HA 0.186 nan 4.420 nan 0.000 0.277 189 P C -0.090 177.132 177.300 -0.131 0.000 1.240 189 P CA -0.226 62.702 63.100 -0.286 0.000 0.798 189 P CB 0.537 32.103 31.700 -0.223 0.000 0.979 190 F N 0.311 120.146 119.950 -0.192 0.000 2.743 190 F HA 0.084 4.611 4.527 0.000 0.000 0.297 190 F C 1.256 176.967 175.800 -0.149 0.000 1.131 190 F CA 0.324 58.223 58.000 -0.168 0.000 1.426 190 F CB -0.477 38.389 39.000 -0.225 0.000 1.116 190 F HN 0.301 nan 8.300 nan 0.000 0.583 191 D N -2.450 117.930 120.400 -0.033 0.000 2.610 191 D HA 0.145 4.786 4.640 0.001 0.000 0.271 191 D C 0.457 176.699 176.300 -0.097 0.000 1.174 191 D CA -0.292 53.669 54.000 -0.065 0.000 0.949 191 D CB 0.765 41.500 40.800 -0.109 0.000 1.430 191 D HN -0.152 nan 8.370 nan 0.000 0.467 192 S N -1.593 114.064 115.700 -0.071 0.000 2.650 192 S HA 0.103 4.573 4.470 0.001 0.000 0.219 192 S C 0.634 175.183 174.600 -0.085 0.000 0.960 192 S CA 0.507 58.670 58.200 -0.062 0.000 0.925 192 S CB -1.051 62.138 63.200 -0.019 0.000 0.775 192 S HN 0.718 nan 8.310 nan 0.000 0.525 193 T N -1.120 113.355 114.554 -0.131 0.000 3.585 193 T HA 0.414 4.764 4.350 0.001 0.000 0.252 193 T C -2.231 172.320 174.700 -0.248 0.000 1.382 193 T CA -1.262 60.760 62.100 -0.130 0.000 1.584 193 T CB 1.257 70.084 68.868 -0.067 0.000 0.892 193 T HN 0.043 nan 8.240 nan 0.000 0.671 194 P HA 0.097 nan 4.420 nan 0.000 0.242 194 P C 0.148 177.118 177.300 -0.550 0.000 1.197 194 P CA 0.212 62.946 63.100 -0.610 0.000 0.765 194 P CB -0.284 30.952 31.700 -0.773 0.000 0.936 195 F N -0.554 119.421 119.950 0.042 0.000 2.639 195 F HA 0.273 4.800 4.527 0.000 0.000 0.302 195 F C 0.614 176.438 175.800 0.040 0.000 1.097 195 F CA -0.065 57.976 58.000 0.069 0.000 1.294 195 F CB -0.309 38.699 39.000 0.012 0.000 1.027 195 F HN -0.269 nan 8.300 nan 0.000 0.550 196 T N 0.167 114.779 114.554 0.097 0.000 2.881 196 T HA 0.236 4.587 4.350 0.001 0.000 0.291 196 T C -0.909 173.809 174.700 0.030 0.000 0.990 196 T CA -0.380 61.765 62.100 0.074 0.000 0.976 196 T CB 1.192 70.085 68.868 0.041 0.000 0.970 196 T HN -0.033 nan 8.240 nan 0.000 0.438 197 F N 5.615 125.510 119.950 -0.090 0.000 2.661 197 F HA 0.248 4.776 4.527 0.001 0.000 0.356 197 F C 0.351 176.067 175.800 -0.141 0.000 1.244 197 F CA -0.622 57.285 58.000 -0.155 0.000 1.290 197 F CB -0.422 38.469 39.000 -0.181 0.000 1.677 197 F HN 0.584 nan 8.300 nan 0.000 0.649 198 D N -0.674 119.601 120.400 -0.209 0.000 2.650 198 D HA 0.215 4.856 4.640 0.001 0.000 0.255 198 D C 0.767 176.937 176.300 -0.217 0.000 1.135 198 D CA -0.389 53.521 54.000 -0.151 0.000 1.099 198 D CB 0.402 41.153 40.800 -0.081 0.000 1.273 198 D HN 0.069 nan 8.370 nan 0.000 0.628 199 T N -3.058 111.428 114.554 -0.114 0.000 3.188 199 T HA -0.001 4.350 4.350 0.001 0.000 0.250 199 T C 1.054 175.739 174.700 -0.026 0.000 1.077 199 T CA -0.110 61.974 62.100 -0.027 0.000 0.967 199 T CB -0.063 68.794 68.868 -0.018 0.000 1.006 199 T HN 0.186 nan 8.240 nan 0.000 0.552 200 Q N 0.935 120.676 119.800 -0.098 0.000 2.096 200 Q HA -0.068 4.272 4.340 0.001 0.000 0.204 200 Q C 2.409 178.350 176.000 -0.098 0.000 0.982 200 Q CA 1.225 56.976 55.803 -0.087 0.000 0.850 200 Q CB -1.010 27.675 28.738 -0.088 0.000 0.901 200 Q HN 0.531 nan 8.270 nan 0.000 0.422 201 V N 0.380 120.166 119.914 -0.215 0.000 2.392 201 V HA -0.254 3.866 4.120 0.001 0.000 0.249 201 V C 1.891 177.839 176.094 -0.244 0.000 1.059 201 V CA 1.536 63.679 62.300 -0.261 0.000 1.051 201 V CB -0.496 31.066 31.823 -0.435 0.000 0.658 201 V HN 0.214 nan 8.190 nan 0.000 0.455 202 F N -0.701 119.140 119.950 -0.182 0.000 2.134 202 F HA -0.118 4.409 4.527 0.000 0.000 0.299 202 F C 2.111 178.013 175.800 0.169 0.000 1.097 202 F CA 1.889 59.758 58.000 -0.220 0.000 1.264 202 F CB -0.661 38.032 39.000 -0.511 0.000 1.001 202 F HN 0.235 nan 8.300 nan 0.000 0.479 203 L N 0.540 121.885 121.223 0.204 0.000 2.017 203 L HA -0.179 4.161 4.340 0.001 0.000 0.208 203 L C 2.016 178.995 176.870 0.182 0.000 1.073 203 L CA 1.959 56.907 54.840 0.181 0.000 0.745 203 L CB -0.774 41.283 42.059 -0.003 0.000 0.894 203 L HN 0.127 nan 8.230 nan 0.000 0.432 204 E N -1.258 119.014 120.200 0.121 0.000 2.216 204 E HA -0.096 4.254 4.350 0.001 0.000 0.192 204 E C 2.082 178.764 176.600 0.137 0.000 0.988 204 E CA 0.899 57.362 56.400 0.105 0.000 0.834 204 E CB 0.036 29.767 29.700 0.052 0.000 0.772 204 E HN 0.376 nan 8.360 nan 0.000 0.479 205 V N 1.260 121.289 119.914 0.191 0.000 2.759 205 V HA -0.160 3.960 4.120 0.001 0.000 0.256 205 V C 1.844 178.018 176.094 0.134 0.000 1.080 205 V CA 1.145 63.541 62.300 0.160 0.000 1.101 205 V CB -0.235 31.693 31.823 0.175 0.000 0.698 205 V HN 0.299 nan 8.190 nan 0.000 0.477 206 L N -0.456 120.876 121.223 0.181 0.000 2.591 206 L HA 0.185 4.525 4.340 0.001 0.000 0.228 206 L C 0.585 177.556 176.870 0.169 0.000 1.133 206 L CA 0.207 55.137 54.840 0.150 0.000 0.880 206 L CB -0.132 42.048 42.059 0.202 0.000 1.033 206 L HN 0.262 nan 8.230 nan 0.000 0.450 207 L N 0.123 121.445 121.223 0.165 0.000 2.399 207 L HA 0.203 4.543 4.340 0.001 0.000 0.266 207 L C 0.715 177.654 176.870 0.115 0.000 1.114 207 L CA -0.334 54.589 54.840 0.139 0.000 0.804 207 L CB 0.645 42.788 42.059 0.139 0.000 1.146 207 L HN -0.005 nan 8.230 nan 0.000 0.451 208 K N 1.204 121.648 120.400 0.073 0.000 2.412 208 K HA 0.141 4.461 4.320 0.001 0.000 0.281 208 K C 0.083 176.682 176.600 -0.002 0.000 1.027 208 K CA -0.237 56.075 56.287 0.041 0.000 0.989 208 K CB 0.780 33.287 32.500 0.011 0.000 0.935 208 K HN 0.781 nan 8.250 nan 0.000 0.475 209 G N 1.796 110.567 108.800 -0.049 0.000 2.406 209 G HA2 0.276 4.237 3.960 0.001 0.000 0.251 209 G HA3 0.276 4.237 3.960 0.001 0.000 0.251 209 G C 0.573 175.390 174.900 -0.138 0.000 1.271 209 G CA -0.434 44.584 45.100 -0.138 0.000 0.859 209 G HN 0.581 nan 8.290 nan 0.000 0.540 210 V N -0.092 119.734 119.914 -0.146 0.000 3.432 210 V HA 0.721 4.841 4.120 0.001 0.000 0.298 210 V C 0.836 176.862 176.094 -0.113 0.000 1.464 210 V CA 0.668 62.907 62.300 -0.102 0.000 1.046 210 V CB -0.189 31.603 31.823 -0.053 0.000 0.887 210 V HN 1.336 nan 8.190 nan 0.000 0.441 211 G N -0.254 108.415 108.800 -0.220 0.000 2.341 211 G HA2 0.542 4.502 3.960 0.001 0.000 0.299 211 G HA3 0.542 4.502 3.960 0.001 0.000 0.299 211 G C -2.076 172.613 174.900 -0.352 0.000 1.274 211 G CA -0.650 44.366 45.100 -0.141 0.000 0.853 211 G HN 0.063 nan 8.290 nan 0.000 0.493 212 F N 0.436 120.379 119.950 -0.012 0.000 2.563 212 F HA 0.567 5.095 4.527 0.001 0.000 0.316 212 F C -1.263 174.538 175.800 0.001 0.000 1.076 212 F CA -1.792 56.203 58.000 -0.009 0.000 0.921 212 F CB 2.816 41.808 39.000 -0.013 0.000 1.209 212 F HN 0.250 nan 8.300 nan 0.000 0.462 213 P HA 0.114 nan 4.420 nan 0.000 0.229 213 P C 0.442 177.801 177.300 0.098 0.000 1.160 213 P CA 0.966 64.127 63.100 0.102 0.000 0.777 213 P CB 0.743 32.492 31.700 0.081 0.000 0.814 214 G N -0.226 108.649 108.800 0.124 0.000 3.418 214 G HA2 0.336 4.296 3.960 0.001 0.000 0.179 214 G HA3 0.336 4.296 3.960 0.001 0.000 0.179 214 G C -0.689 174.239 174.900 0.045 0.000 1.212 214 G CA -0.031 45.112 45.100 0.071 0.000 0.935 214 G HN 0.172 nan 8.290 nan 0.000 0.716 215 S N 0.068 115.764 115.700 -0.007 0.000 2.632 215 S HA 0.550 5.021 4.470 0.001 0.000 0.267 215 S C 0.892 175.335 174.600 -0.261 0.000 1.276 215 S CA 0.198 58.343 58.200 -0.092 0.000 0.998 215 S CB 1.725 64.873 63.200 -0.086 0.000 0.953 215 S HN 1.231 nan 8.310 nan 0.000 0.547 216 A N 0.620 123.173 122.820 -0.445 0.000 2.275 216 A HA 0.182 4.503 4.320 0.001 0.000 0.212 216 A C 0.733 177.911 177.584 -0.677 0.000 1.201 216 A CA -0.118 51.321 52.037 -0.997 0.000 0.843 216 A CB -0.757 17.805 19.000 -0.729 0.000 0.873 216 A HN 0.814 nan 8.150 nan 0.000 0.492 217 N N -0.250 118.239 118.700 -0.350 0.000 2.480 217 N HA 0.132 4.872 4.740 0.001 0.000 0.281 217 N C -1.087 174.349 175.510 -0.123 0.000 1.381 217 N CA -0.509 52.415 53.050 -0.210 0.000 0.903 217 N CB -0.934 37.470 38.487 -0.139 0.000 1.274 217 N HN 0.335 nan 8.380 nan 0.000 0.505 218 N N -0.499 118.141 118.700 -0.101 0.000 2.473 218 N HA 0.294 5.034 4.740 0.001 0.000 0.291 218 N C -0.677 174.831 175.510 -0.003 0.000 1.083 218 N CA -0.544 52.489 53.050 -0.028 0.000 0.951 218 N CB 0.963 39.455 38.487 0.007 0.000 1.164 218 N HN -0.007 nan 8.380 nan 0.000 0.480 219 T N 1.036 115.595 114.554 0.009 0.000 2.934 219 T HA 0.241 4.591 4.350 0.001 0.000 0.306 219 T C 1.442 176.166 174.700 0.038 0.000 1.042 219 T CA 1.057 63.170 62.100 0.022 0.000 1.145 219 T CB 0.321 69.205 68.868 0.026 0.000 0.982 219 T HN 0.848 nan 8.240 nan 0.000 0.544 220 G N 2.327 111.151 108.800 0.039 0.000 2.159 220 G HA2 -0.223 3.737 3.960 0.001 0.000 0.256 220 G HA3 -0.223 3.737 3.960 0.001 0.000 0.256 220 G C -0.082 174.843 174.900 0.041 0.000 0.977 220 G CA 0.370 45.497 45.100 0.045 0.000 0.652 220 G HN 0.795 nan 8.290 nan 0.000 0.531 221 E N -0.244 119.988 120.200 0.053 0.000 2.212 221 E HA 0.659 5.009 4.350 0.001 0.000 0.268 221 E C 0.247 176.907 176.600 0.101 0.000 0.902 221 E CA -0.426 56.022 56.400 0.080 0.000 0.779 221 E CB 2.354 32.138 29.700 0.139 0.000 1.172 221 E HN 0.698 nan 8.360 nan 0.000 0.409 222 V N -0.200 119.734 119.914 0.032 0.000 3.155 222 V HA 0.864 4.985 4.120 0.001 0.000 0.313 222 V C -0.072 175.864 176.094 -0.264 0.000 1.162 222 V CA -0.912 61.350 62.300 -0.063 0.000 1.048 222 V CB 1.066 32.668 31.823 -0.368 0.000 1.092 222 V HN 0.824 nan 8.190 nan 0.000 0.447 223 A N 1.079 123.560 122.820 -0.564 0.000 2.483 223 A HA 0.574 4.895 4.320 0.001 0.000 0.238 223 A C 0.495 177.743 177.584 -0.559 0.000 1.070 223 A CA 0.726 52.138 52.037 -1.042 0.000 0.770 223 A CB 0.127 18.668 19.000 -0.766 0.000 1.008 223 A HN 1.611 nan 8.150 nan 0.000 0.497 224 S N 1.899 117.299 115.700 -0.499 0.000 2.565 224 S HA 0.624 5.094 4.470 0.001 0.000 0.290 224 S C -1.637 172.869 174.600 -0.156 0.000 1.150 224 S CA -1.456 56.605 58.200 -0.232 0.000 1.058 224 S CB 1.348 64.452 63.200 -0.159 0.000 1.032 224 S HN 0.525 nan 8.310 nan 0.000 0.510 225 P HA 0.164 nan 4.420 nan 0.000 0.231 225 P C -0.015 177.277 177.300 -0.014 0.000 1.168 225 P CA 0.536 63.619 63.100 -0.028 0.000 0.779 225 P CB 0.049 31.763 31.700 0.023 0.000 0.844 226 L N 1.260 122.474 121.223 -0.016 0.000 2.625 226 L HA 0.316 4.656 4.340 0.001 0.000 0.255 226 L C -1.806 175.062 176.870 -0.003 0.000 1.493 226 L CA -1.253 53.588 54.840 0.001 0.000 0.796 226 L CB 1.840 43.908 42.059 0.016 0.000 1.064 226 L HN -0.194 nan 8.230 nan 0.000 0.516 227 P HA -0.067 nan 4.420 nan 0.000 0.245 227 P C 0.555 177.866 177.300 0.019 0.000 1.206 227 P CA 0.076 63.175 63.100 -0.002 0.000 0.781 227 P CB 0.560 32.250 31.700 -0.018 0.000 0.994 228 L N 1.078 122.311 121.223 0.016 0.000 2.455 228 L HA 0.487 4.827 4.340 0.001 0.000 0.272 228 L C 0.289 177.173 176.870 0.023 0.000 1.174 228 L CA 0.521 55.374 54.840 0.021 0.000 0.869 228 L CB -0.000 42.070 42.059 0.018 0.000 1.130 228 L HN -0.026 nan 8.230 nan 0.000 0.474 229 G N 2.401 111.215 108.800 0.023 0.000 2.680 229 G HA2 0.652 4.613 3.960 0.001 0.000 0.290 229 G HA3 0.652 4.613 3.960 0.001 0.000 0.290 229 G C -1.704 173.205 174.900 0.015 0.000 1.355 229 G CA -0.455 44.657 45.100 0.021 0.000 0.903 229 G HN 0.693 nan 8.290 nan 0.000 0.474 230 S N -1.104 114.602 115.700 0.011 0.000 2.562 230 S HA 0.638 5.108 4.470 0.001 0.000 0.274 230 S C 0.649 175.244 174.600 -0.008 0.000 1.160 230 S CA 1.057 59.260 58.200 0.004 0.000 0.933 230 S CB 0.793 63.999 63.200 0.009 0.000 1.100 230 S HN 2.607 nan 8.310 nan 0.000 0.468 231 G N 3.684 112.474 108.800 -0.017 0.000 2.622 231 G HA2 -0.336 3.625 3.960 0.001 0.000 0.307 231 G HA3 -0.336 3.625 3.960 0.001 0.000 0.307 231 G C 1.133 175.990 174.900 -0.070 0.000 1.226 231 G CA 1.252 46.330 45.100 -0.036 0.000 0.997 231 G HN 1.964 nan 8.290 nan 0.000 0.551 232 S N 0.078 115.708 115.700 -0.117 0.000 2.558 232 S HA 0.198 4.669 4.470 0.001 0.000 0.217 232 S C 0.579 175.066 174.600 -0.188 0.000 0.975 232 S CA 1.228 59.269 58.200 -0.265 0.000 0.912 232 S CB 0.270 63.183 63.200 -0.477 0.000 0.776 232 S HN 0.482 nan 8.310 nan 0.000 0.526 233 D N 3.539 123.918 120.400 -0.034 0.000 2.551 233 D HA 0.223 4.864 4.640 0.001 0.000 0.223 233 D C -0.210 176.115 176.300 0.042 0.000 1.144 233 D CA 0.312 54.346 54.000 0.057 0.000 1.025 233 D CB 0.209 41.046 40.800 0.063 0.000 1.085 233 D HN 0.259 nan 8.370 nan 0.000 0.506 234 T N 0.192 114.775 114.554 0.048 0.000 2.900 234 T HA 0.378 4.728 4.350 0.001 0.000 0.307 234 T C 1.140 175.860 174.700 0.034 0.000 1.065 234 T CA -0.453 61.666 62.100 0.033 0.000 1.105 234 T CB 1.215 70.106 68.868 0.038 0.000 0.979 234 T HN 0.294 nan 8.240 nan 0.000 0.544 235 G N 0.650 109.468 108.800 0.030 0.000 2.651 235 G HA2 0.315 4.275 3.960 0.001 0.000 0.260 235 G HA3 0.315 4.275 3.960 0.001 0.000 0.260 235 G C -0.262 174.653 174.900 0.025 0.000 1.216 235 G CA -0.585 44.531 45.100 0.027 0.000 0.913 235 G HN 0.796 nan 8.290 nan 0.000 0.535 236 E N -0.556 119.656 120.200 0.019 0.000 2.360 236 E HA 0.272 4.622 4.350 0.001 0.000 0.269 236 E C 0.048 176.680 176.600 0.053 0.000 1.022 236 E CA -0.244 56.174 56.400 0.030 0.000 0.887 236 E CB 0.535 30.247 29.700 0.020 0.000 0.990 236 E HN 0.399 nan 8.360 nan 0.000 0.426 237 M N 4.425 124.097 119.600 0.119 0.000 2.472 237 M HA 0.359 4.839 4.480 0.001 0.000 0.331 237 M C -0.901 175.477 176.300 0.130 0.000 1.170 237 M CA -0.709 54.681 55.300 0.150 0.000 1.009 237 M CB 1.339 34.085 32.600 0.243 0.000 1.672 237 M HN 0.461 nan 8.290 nan 0.000 0.453 238 R N 4.763 125.270 120.500 0.012 0.000 2.393 238 R HA 0.567 4.908 4.340 0.001 0.000 0.315 238 R C -1.691 174.540 176.300 -0.116 0.000 0.952 238 R CA -0.574 55.479 56.100 -0.078 0.000 0.842 238 R CB 1.130 31.376 30.300 -0.089 0.000 1.163 238 R HN 0.824 nan 8.270 nan 0.000 0.450 239 L N 3.713 124.795 121.223 -0.235 0.000 2.395 239 L HA 0.113 4.454 4.340 0.001 0.000 0.269 239 L C 1.747 178.581 176.870 -0.060 0.000 1.133 239 L CA -0.331 54.410 54.840 -0.166 0.000 0.812 239 L CB 1.417 43.313 42.059 -0.272 0.000 1.125 239 L HN 0.700 nan 8.230 nan 0.000 0.452 240 Q N 1.630 121.423 119.800 -0.012 0.000 2.135 240 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 240 Q C 1.933 177.981 176.000 0.079 0.000 0.981 240 Q CA 2.378 58.208 55.803 0.046 0.000 0.856 240 Q CB 0.102 28.866 28.738 0.043 0.000 0.902 240 Q HN 0.920 nan 8.270 nan 0.000 0.425 241 S N 0.328 116.047 115.700 0.033 0.000 2.368 241 S HA -0.126 4.345 4.470 0.001 0.000 0.224 241 S C 1.493 176.069 174.600 -0.040 0.000 1.029 241 S CA 1.205 59.418 58.200 0.022 0.000 0.988 241 S CB -0.286 62.942 63.200 0.046 0.000 0.838 241 S HN 0.288 nan 8.310 nan 0.000 0.462 242 D N 1.072 121.431 120.400 -0.067 0.000 2.117 242 D HA -0.017 4.623 4.640 0.001 0.000 0.197 242 D C 1.540 177.589 176.300 -0.420 0.000 0.987 242 D CA 0.907 54.794 54.000 -0.187 0.000 0.829 242 D CB -0.549 40.216 40.800 -0.059 0.000 0.961 242 D HN 0.473 nan 8.370 nan 0.000 0.460 243 F N 1.666 121.421 119.950 -0.325 0.000 2.095 243 F HA -0.222 4.305 4.527 0.000 0.000 0.298 243 F C 2.210 177.867 175.800 -0.238 0.000 1.104 243 F CA 1.885 59.720 58.000 -0.275 0.000 1.232 243 F CB -0.086 38.850 39.000 -0.106 0.000 0.987 243 F HN -0.055 nan 8.300 nan 0.000 0.475 244 A N 0.581 123.355 122.820 -0.078 0.000 1.902 244 A HA -0.124 4.196 4.320 0.001 0.000 0.217 244 A C 2.206 179.636 177.584 -0.257 0.000 1.181 244 A CA 1.738 53.694 52.037 -0.135 0.000 0.623 244 A CB -1.191 17.816 19.000 0.010 0.000 0.818 244 A HN 0.513 nan 8.150 nan 0.000 0.443 245 L N -0.770 120.276 121.223 -0.294 0.000 2.083 245 L HA -0.176 4.164 4.340 0.001 0.000 0.209 245 L C 2.954 179.537 176.870 -0.478 0.000 1.083 245 L CA 1.025 55.696 54.840 -0.280 0.000 0.752 245 L CB -0.397 41.576 42.059 -0.144 0.000 0.899 245 L HN 0.420 nan 8.230 nan 0.000 0.433 246 A N -1.436 120.781 122.820 -1.005 0.000 2.066 246 A HA -0.147 4.174 4.320 0.001 0.000 0.218 246 A C 1.832 178.844 177.584 -0.953 0.000 1.157 246 A CA 1.122 52.365 52.037 -1.325 0.000 0.670 246 A CB -0.455 17.386 19.000 -1.932 0.000 0.804 246 A HN 0.464 nan 8.150 nan 0.000 0.453 247 H N -1.196 117.569 119.070 -0.509 0.000 2.827 247 H HA 0.113 4.669 4.556 0.000 0.000 0.269 247 H C -0.273 174.917 175.328 -0.230 0.000 1.031 247 H CA -0.278 55.544 56.048 -0.378 0.000 1.202 247 H CB 0.261 29.706 29.762 -0.529 0.000 1.511 247 H HN 0.477 nan 8.280 nan 0.000 0.517 248 D N 1.918 122.247 120.400 -0.119 0.000 2.345 248 D HA 0.024 4.665 4.640 0.001 0.000 0.247 248 D C -1.719 174.562 176.300 -0.031 0.000 1.108 248 D CA -1.695 52.271 54.000 -0.057 0.000 0.894 248 D CB 2.513 43.282 40.800 -0.052 0.000 1.203 248 D HN -0.009 nan 8.370 nan 0.000 0.430 249 P HA -0.048 nan 4.420 nan 0.000 0.219 249 P C 1.049 178.355 177.300 0.010 0.000 1.146 249 P CA 0.983 64.084 63.100 0.001 0.000 0.808 249 P CB 0.265 31.968 31.700 0.004 0.000 0.779 250 R N -1.078 119.429 120.500 0.011 0.000 2.148 250 R HA -0.011 4.329 4.340 0.001 0.000 0.223 250 R C 1.488 177.809 176.300 0.035 0.000 1.088 250 R CA 1.893 58.007 56.100 0.024 0.000 0.985 250 R CB -0.571 29.745 30.300 0.026 0.000 0.880 250 R HN 0.326 nan 8.270 nan 0.000 0.451 251 T N -4.529 110.041 114.554 0.026 0.000 3.058 251 T HA 0.347 4.697 4.350 0.001 0.000 0.278 251 T C 1.595 176.337 174.700 0.069 0.000 0.974 251 T CA 0.175 62.307 62.100 0.054 0.000 0.893 251 T CB 0.775 69.674 68.868 0.053 0.000 1.138 251 T HN 0.092 nan 8.240 nan 0.000 0.529 252 A N 1.116 123.949 122.820 0.022 0.000 1.902 252 A HA -0.025 4.296 4.320 0.001 0.000 0.217 252 A C 2.458 180.090 177.584 0.081 0.000 1.181 252 A CA 1.574 53.621 52.037 0.018 0.000 0.623 252 A CB -1.385 17.604 19.000 -0.019 0.000 0.818 252 A HN 0.670 nan 8.150 nan 0.000 0.443 253 c N -0.822 117.810 118.600 0.054 0.000 2.440 253 c HA -0.002 4.568 4.570 0.001 0.000 0.278 253 c C 2.551 176.642 174.090 0.002 0.000 1.295 253 c CA 0.775 57.127 56.329 0.039 0.000 1.738 253 c CB -1.350 41.174 42.510 0.023 0.000 1.987 253 c HN 0.623 nan 8.230 nan 0.000 0.492 254 I N -0.309 120.264 120.570 0.004 0.000 2.226 254 I HA -0.236 3.934 4.170 0.001 0.000 0.245 254 I C 2.635 178.597 176.117 -0.258 0.000 1.100 254 I CA 1.514 62.740 61.300 -0.122 0.000 1.374 254 I CB -0.496 37.498 38.000 -0.010 0.000 1.057 254 I HN 0.581 nan 8.210 nan 0.000 0.413 255 W N 1.970 123.176 121.300 -0.157 0.000 2.333 255 W HA -0.295 4.365 4.660 0.000 0.000 0.316 255 W C 2.499 178.975 176.519 -0.072 0.000 1.215 255 W CA 2.095 59.426 57.345 -0.024 0.000 1.278 255 W CB -0.484 29.002 29.460 0.043 0.000 1.154 255 W HN 0.258 nan 8.180 nan 0.000 0.486 256 Q N -0.193 119.741 119.800 0.222 0.000 2.170 256 Q HA -0.110 4.230 4.340 0.001 0.000 0.203 256 Q C 2.246 178.188 176.000 -0.096 0.000 0.976 256 Q CA 1.884 57.769 55.803 0.138 0.000 0.858 256 Q CB -0.735 28.113 28.738 0.182 0.000 0.907 256 Q HN 0.266 nan 8.270 nan 0.000 0.433 257 G N -0.750 107.918 108.800 -0.219 0.000 2.509 257 G HA2 -0.178 3.782 3.960 0.001 0.000 0.218 257 G HA3 -0.178 3.782 3.960 0.001 0.000 0.218 257 G C 0.848 175.570 174.900 -0.296 0.000 1.124 257 G CA 0.102 45.056 45.100 -0.242 0.000 0.776 257 G HN 0.381 nan 8.290 nan 0.000 0.547 258 F N 0.328 120.031 119.950 -0.412 0.000 2.789 258 F HA 0.207 4.735 4.527 0.001 0.000 0.300 258 F C 0.998 176.540 175.800 -0.429 0.000 1.132 258 F CA -0.657 56.977 58.000 -0.610 0.000 1.404 258 F CB 0.471 38.573 39.000 -1.496 0.000 1.114 258 F HN -0.221 nan 8.300 nan 0.000 0.584 259 V N 1.823 121.634 119.914 -0.171 0.000 2.540 259 V HA -0.113 4.007 4.120 0.001 0.000 0.297 259 V C 0.665 176.665 176.094 -0.157 0.000 1.024 259 V CA 0.315 62.534 62.300 -0.134 0.000 1.105 259 V CB 0.055 31.752 31.823 -0.209 0.000 0.938 259 V HN 0.571 nan 8.190 nan 0.000 0.482 260 N N 3.146 121.778 118.700 -0.113 0.000 2.741 260 N HA -0.178 4.562 4.740 0.001 0.000 0.250 260 N C -0.002 175.482 175.510 -0.045 0.000 1.115 260 N CA 1.208 54.203 53.050 -0.092 0.000 0.724 260 N CB -0.433 37.975 38.487 -0.132 0.000 1.090 260 N HN 0.810 nan 8.380 nan 0.000 0.558 261 E N 0.110 120.309 120.200 -0.002 0.000 3.303 261 E HA 0.093 4.443 4.350 0.001 0.000 0.215 261 E C 0.737 177.398 176.600 0.102 0.000 1.181 261 E CA -0.319 56.133 56.400 0.088 0.000 0.998 261 E CB 1.061 30.890 29.700 0.215 0.000 1.312 261 E HN 0.454 nan 8.360 nan 0.000 0.412 262 Q N 1.950 121.778 119.800 0.046 0.000 2.020 262 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 262 Q C 1.791 177.828 176.000 0.062 0.000 0.982 262 Q CA 2.426 58.244 55.803 0.025 0.000 0.838 262 Q CB -0.055 28.695 28.738 0.019 0.000 0.899 262 Q HN 0.407 nan 8.270 nan 0.000 0.423 263 A N -0.383 122.494 122.820 0.095 0.000 1.930 263 A HA -0.096 4.224 4.320 0.001 0.000 0.217 263 A C 1.975 179.674 177.584 0.191 0.000 1.175 263 A CA 1.239 53.344 52.037 0.113 0.000 0.627 263 A CB -0.936 18.121 19.000 0.095 0.000 0.815 263 A HN 0.578 nan 8.150 nan 0.000 0.443 264 F N 0.238 120.223 119.950 0.059 0.000 2.102 264 F HA -0.152 4.375 4.527 0.001 0.000 0.298 264 F C 2.219 178.094 175.800 0.125 0.000 1.105 264 F CA 1.770 59.846 58.000 0.127 0.000 1.239 264 F CB -0.518 38.573 39.000 0.152 0.000 0.991 264 F HN 0.280 nan 8.300 nan 0.000 0.474 265 M N -0.009 119.521 119.600 -0.117 0.000 2.080 265 M HA -0.196 4.284 4.480 0.001 0.000 0.260 265 M C 2.255 178.371 176.300 -0.307 0.000 1.068 265 M CA 2.276 57.199 55.300 -0.628 0.000 1.109 265 M CB -0.495 31.746 32.600 -0.598 0.000 1.342 265 M HN 0.222 nan 8.290 nan 0.000 0.405 266 A N -0.068 122.728 122.820 -0.040 0.000 1.930 266 A HA -0.005 4.316 4.320 0.001 0.000 0.217 266 A C 2.244 179.886 177.584 0.096 0.000 1.175 266 A CA 1.773 53.870 52.037 0.101 0.000 0.627 266 A CB -1.010 18.047 19.000 0.096 0.000 0.815 266 A HN 0.672 nan 8.150 nan 0.000 0.443 267 A N -0.661 122.209 122.820 0.085 0.000 1.968 267 A HA 0.013 4.333 4.320 0.001 0.000 0.217 267 A C 2.387 180.032 177.584 0.101 0.000 1.169 267 A CA 1.806 53.908 52.037 0.108 0.000 0.638 267 A CB -0.653 18.441 19.000 0.158 0.000 0.812 267 A HN 0.434 nan 8.150 nan 0.000 0.446 268 S N -0.978 114.749 115.700 0.045 0.000 2.383 268 S HA -0.100 4.371 4.470 0.001 0.000 0.227 268 S C 1.636 176.223 174.600 -0.023 0.000 1.026 268 S CA 1.304 59.519 58.200 0.026 0.000 0.981 268 S CB -0.489 62.613 63.200 -0.164 0.000 0.818 268 S HN 0.628 nan 8.310 nan 0.000 0.472 269 F N 2.716 122.545 119.950 -0.203 0.000 2.102 269 F HA -0.077 4.451 4.527 0.001 0.000 0.298 269 F C 2.440 178.209 175.800 -0.053 0.000 1.105 269 F CA 1.520 59.441 58.000 -0.131 0.000 1.239 269 F CB -0.268 38.706 39.000 -0.044 0.000 0.991 269 F HN -0.003 nan 8.300 nan 0.000 0.474 270 R N 0.297 120.813 120.500 0.028 0.000 2.083 270 R HA -0.189 4.151 4.340 0.001 0.000 0.237 270 R C 2.368 178.624 176.300 -0.073 0.000 1.137 270 R CA 1.484 57.550 56.100 -0.057 0.000 0.951 270 R CB -0.724 29.588 30.300 0.020 0.000 0.851 270 R HN 0.395 nan 8.270 nan 0.000 0.434 271 A N 0.497 123.316 122.820 -0.002 0.000 1.902 271 A HA -0.107 4.214 4.320 0.001 0.000 0.217 271 A C 2.315 179.916 177.584 0.028 0.000 1.181 271 A CA 1.758 53.818 52.037 0.038 0.000 0.623 271 A CB -0.719 18.343 19.000 0.105 0.000 0.818 271 A HN 0.546 nan 8.150 nan 0.000 0.443 272 A N -1.293 121.522 122.820 -0.009 0.000 1.968 272 A HA -0.001 4.319 4.320 0.001 0.000 0.217 272 A C 2.108 179.686 177.584 -0.009 0.000 1.169 272 A CA 1.636 53.703 52.037 0.048 0.000 0.638 272 A CB -0.406 18.572 19.000 -0.038 0.000 0.812 272 A HN 0.409 nan 8.150 nan 0.000 0.446 273 M N -0.290 119.167 119.600 -0.238 0.000 2.296 273 M HA -0.068 4.412 4.480 0.001 0.000 0.265 273 M C 2.344 178.615 176.300 -0.048 0.000 1.064 273 M CA 1.525 56.687 55.300 -0.230 0.000 1.109 273 M CB -1.312 31.010 32.600 -0.462 0.000 1.396 273 M HN 0.529 nan 8.290 nan 0.000 0.430 274 S N 0.500 116.184 115.700 -0.026 0.000 2.383 274 S HA -0.197 4.273 4.470 0.001 0.000 0.229 274 S C 1.993 176.626 174.600 0.055 0.000 1.030 274 S CA 1.707 59.916 58.200 0.016 0.000 1.002 274 S CB -0.011 63.199 63.200 0.017 0.000 0.829 274 S HN 0.522 nan 8.310 nan 0.000 0.467 275 K N -0.080 120.382 120.400 0.103 0.000 2.076 275 K HA 0.034 4.354 4.320 0.001 0.000 0.204 275 K C 2.165 178.905 176.600 0.234 0.000 1.051 275 K CA 1.117 57.482 56.287 0.129 0.000 0.949 275 K CB -0.363 32.210 32.500 0.121 0.000 0.726 275 K HN 0.361 nan 8.250 nan 0.000 0.443 276 L N 1.104 122.541 121.223 0.356 0.000 2.046 276 L HA -0.009 4.331 4.340 0.001 0.000 0.208 276 L C 2.084 179.098 176.870 0.240 0.000 1.077 276 L CA 1.983 57.061 54.840 0.396 0.000 0.747 276 L CB -0.558 41.654 42.059 0.254 0.000 0.896 276 L HN 0.231 nan 8.230 nan 0.000 0.432 277 A N -1.132 121.785 122.820 0.162 0.000 2.209 277 A HA 0.011 4.331 4.320 0.001 0.000 0.212 277 A C 1.696 179.363 177.584 0.137 0.000 1.158 277 A CA 1.255 53.378 52.037 0.144 0.000 0.742 277 A CB -0.794 18.274 19.000 0.113 0.000 0.790 277 A HN 0.520 nan 8.150 nan 0.000 0.472 278 V N -3.328 116.670 119.914 0.141 0.000 3.276 278 V HA 0.401 4.521 4.120 0.001 0.000 0.319 278 V C 0.299 176.520 176.094 0.212 0.000 1.427 278 V CA -0.578 61.822 62.300 0.166 0.000 1.102 278 V CB -0.900 30.972 31.823 0.083 0.000 1.020 278 V HN 0.257 nan 8.190 nan 0.000 0.456 279 L N 2.533 123.864 121.223 0.180 0.000 2.559 279 L HA 0.391 4.731 4.340 0.001 0.000 0.282 279 L C 1.604 178.498 176.870 0.040 0.000 1.232 279 L CA 1.664 56.572 54.840 0.113 0.000 0.885 279 L CB 0.074 42.219 42.059 0.143 0.000 1.131 279 L HN 0.626 nan 8.230 nan 0.000 0.498 280 G N 1.735 110.482 108.800 -0.088 0.000 2.176 280 G HA2 -0.236 3.725 3.960 0.001 0.000 0.253 280 G HA3 -0.236 3.725 3.960 0.001 0.000 0.253 280 G C -0.043 174.519 174.900 -0.563 0.000 0.979 280 G CA 0.001 44.920 45.100 -0.302 0.000 0.641 280 G HN 0.754 nan 8.290 nan 0.000 0.530 281 H N -0.837 118.239 119.070 0.011 0.000 2.928 281 H HA 0.613 5.169 4.556 0.001 0.000 0.371 281 H C -0.370 174.953 175.328 -0.010 0.000 1.186 281 H CA -0.751 55.298 56.048 0.001 0.000 1.134 281 H CB 1.201 30.962 29.762 -0.002 0.000 1.824 281 H HN 0.088 nan 8.280 nan 0.000 0.554 282 N N 1.500 120.268 118.700 0.113 0.000 2.414 282 N HA 0.022 4.762 4.740 0.001 0.000 0.256 282 N C 0.851 176.385 175.510 0.039 0.000 1.029 282 N CA -0.370 52.710 53.050 0.050 0.000 0.948 282 N CB 0.815 39.319 38.487 0.028 0.000 1.102 282 N HN 0.779 nan 8.380 nan 0.000 0.496 283 R N 3.042 123.553 120.500 0.018 0.000 2.241 283 R HA -0.033 4.307 4.340 0.001 0.000 0.224 283 R C 0.337 176.621 176.300 -0.027 0.000 1.101 283 R CA 1.320 57.414 56.100 -0.009 0.000 0.995 283 R CB -0.340 29.952 30.300 -0.014 0.000 0.870 283 R HN 0.461 nan 8.270 nan 0.000 0.463 284 N N 0.216 118.906 118.700 -0.016 0.000 2.550 284 N HA -0.016 4.724 4.740 0.001 0.000 0.186 284 N C 0.380 175.873 175.510 -0.028 0.000 1.110 284 N CA 0.890 53.927 53.050 -0.022 0.000 0.912 284 N CB 0.399 38.878 38.487 -0.012 0.000 0.968 284 N HN 0.149 nan 8.380 nan 0.000 0.448 285 S N -0.079 115.607 115.700 -0.024 0.000 2.554 285 S HA 0.271 4.742 4.470 0.001 0.000 0.226 285 S C 0.046 174.611 174.600 -0.059 0.000 0.980 285 S CA -0.190 57.993 58.200 -0.028 0.000 0.939 285 S CB 0.369 63.569 63.200 0.001 0.000 0.832 285 S HN 0.151 nan 8.310 nan 0.000 0.486 286 L N 1.411 122.580 121.223 -0.090 0.000 2.334 286 L HA 0.613 4.953 4.340 0.001 0.000 0.276 286 L C -0.298 176.466 176.870 -0.177 0.000 1.014 286 L CA -0.699 54.051 54.840 -0.150 0.000 0.815 286 L CB 1.604 43.547 42.059 -0.193 0.000 1.268 286 L HN 0.152 nan 8.230 nan 0.000 0.428 287 I N 1.411 121.849 120.570 -0.219 0.000 2.532 287 I HA 0.138 4.308 4.170 0.001 0.000 0.292 287 I C -0.133 175.823 176.117 -0.268 0.000 1.014 287 I CA -0.164 60.972 61.300 -0.274 0.000 1.340 287 I CB 1.268 39.065 38.000 -0.338 0.000 1.422 287 I HN 0.600 nan 8.210 nan 0.000 0.528 288 D N 6.485 126.763 120.400 -0.203 0.000 2.339 288 D HA 0.168 4.809 4.640 0.001 0.000 0.241 288 D C -0.616 175.688 176.300 0.007 0.000 1.183 288 D CA -0.135 53.814 54.000 -0.085 0.000 0.859 288 D CB 0.533 41.342 40.800 0.015 0.000 1.067 288 D HN 0.504 nan 8.370 nan 0.000 0.484 289 c N 3.080 121.638 118.600 -0.070 0.000 2.557 289 c HA 0.181 4.751 4.570 0.001 0.000 0.281 289 c C 2.002 176.182 174.090 0.150 0.000 1.490 289 c CA -0.419 55.939 56.329 0.049 0.000 1.771 289 c CB -1.213 41.267 42.510 -0.050 0.000 2.887 289 c HN 0.571 nan 8.230 nan 0.000 0.527 290 S N 2.001 117.769 115.700 0.113 0.000 2.447 290 S HA -0.149 4.322 4.470 0.001 0.000 0.233 290 S C 1.840 176.516 174.600 0.127 0.000 1.006 290 S CA 1.627 59.911 58.200 0.140 0.000 0.957 290 S CB -0.206 63.044 63.200 0.083 0.000 0.773 290 S HN 0.861 nan 8.310 nan 0.000 0.507 291 D N 1.491 121.955 120.400 0.107 0.000 2.348 291 D HA -0.064 4.577 4.640 0.001 0.000 0.216 291 D C 1.522 177.885 176.300 0.105 0.000 0.970 291 D CA 0.785 54.836 54.000 0.085 0.000 0.889 291 D CB -0.319 40.517 40.800 0.060 0.000 0.912 291 D HN 0.507 nan 8.370 nan 0.000 0.524 292 V N -1.954 118.048 119.914 0.147 0.000 3.621 292 V HA 0.225 4.345 4.120 0.001 0.000 0.285 292 V C 0.658 176.907 176.094 0.259 0.000 1.346 292 V CA -0.609 61.799 62.300 0.180 0.000 1.104 292 V CB -0.175 31.750 31.823 0.171 0.000 0.913 292 V HN -0.131 nan 8.190 nan 0.000 0.432 293 V N 3.246 123.285 119.914 0.208 0.000 2.521 293 V HA 0.264 4.384 4.120 0.001 0.000 0.286 293 V C -1.779 174.329 176.094 0.022 0.000 1.034 293 V CA -1.029 61.322 62.300 0.085 0.000 1.045 293 V CB 0.546 32.392 31.823 0.037 0.000 0.974 293 V HN 0.408 nan 8.190 nan 0.000 0.480 294 P HA 0.045 nan 4.420 nan 0.000 0.268 294 P C -0.381 176.900 177.300 -0.031 0.000 1.208 294 P CA -0.083 63.004 63.100 -0.023 0.000 0.777 294 P CB 0.333 31.999 31.700 -0.056 0.000 0.875 295 V N 5.036 124.940 119.914 -0.016 0.000 2.572 295 V HA 0.142 4.263 4.120 0.001 0.000 0.291 295 V C -1.460 174.612 176.094 -0.037 0.000 1.039 295 V CA -1.015 61.273 62.300 -0.020 0.000 1.055 295 V CB 0.088 31.907 31.823 -0.007 0.000 0.969 295 V HN 0.640 nan 8.190 nan 0.000 0.482 296 P HA 0.212 nan 4.420 nan 0.000 0.274 296 P C -0.632 176.641 177.300 -0.046 0.000 1.231 296 P CA -0.646 62.414 63.100 -0.067 0.000 0.790 296 P CB 0.733 32.380 31.700 -0.089 0.000 0.951 297 K N 2.555 122.927 120.400 -0.047 0.000 2.451 297 K HA 0.160 4.480 4.320 0.001 0.000 0.280 297 K C -1.811 174.777 176.600 -0.019 0.000 1.020 297 K CA -1.067 55.203 56.287 -0.028 0.000 1.008 297 K CB -0.392 32.094 32.500 -0.023 0.000 0.917 297 K HN 0.439 nan 8.250 nan 0.000 0.478 298 P HA 0.101 nan 4.420 nan 0.000 0.276 298 P C -0.913 176.391 177.300 0.007 0.000 1.244 298 P CA -0.461 62.638 63.100 -0.001 0.000 0.801 298 P CB 0.985 32.686 31.700 0.001 0.000 1.006 299 A N 1.144 123.973 122.820 0.014 0.000 2.272 299 A HA 0.373 4.693 4.320 0.001 0.000 0.275 299 A C 1.569 179.162 177.584 0.015 0.000 1.096 299 A CA 0.317 52.366 52.037 0.020 0.000 0.822 299 A CB -0.631 18.384 19.000 0.025 0.000 1.088 299 A HN 0.642 nan 8.150 nan 0.000 0.495 300 T N -2.780 111.784 114.554 0.016 0.000 3.023 300 T HA 0.333 4.684 4.350 0.001 0.000 0.266 300 T C 1.385 176.093 174.700 0.012 0.000 1.093 300 T CA 1.344 63.452 62.100 0.013 0.000 1.129 300 T CB -0.187 68.689 68.868 0.014 0.000 0.899 300 T HN 2.450 nan 8.240 nan 0.000 0.491 301 G N 0.689 109.496 108.800 0.013 0.000 2.176 301 G HA2 -0.223 3.737 3.960 0.001 0.000 0.232 301 G HA3 -0.223 3.737 3.960 0.001 0.000 0.232 301 G C -0.074 174.831 174.900 0.009 0.000 0.986 301 G CA -0.052 45.055 45.100 0.011 0.000 0.643 301 G HN 0.670 nan 8.290 nan 0.000 0.522 302 Q N 0.915 120.721 119.800 0.009 0.000 2.364 302 Q HA 0.379 4.719 4.340 0.001 0.000 0.267 302 Q C -1.905 174.096 176.000 0.002 0.000 0.999 302 Q CA -1.070 54.738 55.803 0.008 0.000 0.886 302 Q CB 0.423 29.168 28.738 0.011 0.000 1.243 302 Q HN 0.267 nan 8.270 nan 0.000 0.415 303 P HA 0.021 nan 4.420 nan 0.000 0.270 303 P C -1.119 176.170 177.300 -0.017 0.000 1.223 303 P CA -0.124 62.970 63.100 -0.009 0.000 0.785 303 P CB 0.436 32.134 31.700 -0.002 0.000 0.923 304 A N 2.271 125.067 122.820 -0.040 0.000 2.483 304 A HA 0.447 4.768 4.320 0.001 0.000 0.238 304 A C 0.008 177.556 177.584 -0.060 0.000 1.070 304 A CA 0.361 52.361 52.037 -0.062 0.000 0.770 304 A CB -0.404 18.538 19.000 -0.097 0.000 1.008 304 A HN 0.504 nan 8.150 nan 0.000 0.497 305 M N 0.618 120.181 119.600 -0.060 0.000 2.550 305 M HA 0.417 4.897 4.480 0.001 0.000 0.292 305 M C -1.331 174.943 176.300 -0.044 0.000 1.221 305 M CA -0.191 55.103 55.300 -0.011 0.000 0.873 305 M CB 1.948 34.582 32.600 0.056 0.000 1.727 305 M HN 0.585 nan 8.290 nan 0.000 0.459 306 F N 2.006 121.999 119.950 0.072 0.000 2.504 306 F HA 0.284 4.811 4.527 0.001 0.000 0.369 306 F C -1.922 173.906 175.800 0.046 0.000 1.082 306 F CA -1.131 56.909 58.000 0.068 0.000 1.216 306 F CB -0.017 39.022 39.000 0.065 0.000 1.108 306 F HN 0.171 nan 8.300 nan 0.000 0.554 307 P HA 0.115 nan 4.420 nan 0.000 0.272 307 P C -0.846 176.527 177.300 0.122 0.000 1.223 307 P CA -0.376 62.798 63.100 0.123 0.000 0.784 307 P CB 0.577 32.328 31.700 0.085 0.000 0.923 308 A N 2.620 125.491 122.820 0.083 0.000 2.565 308 A HA 0.318 4.639 4.320 0.001 0.000 0.237 308 A C 1.139 178.755 177.584 0.052 0.000 1.053 308 A CA 1.316 53.390 52.037 0.062 0.000 0.755 308 A CB -1.082 17.945 19.000 0.046 0.000 0.980 308 A HN 0.930 nan 8.150 nan 0.000 0.506 309 S N -0.579 115.143 115.700 0.038 0.000 2.541 309 S HA -0.192 4.279 4.470 0.001 0.000 0.262 309 S C 0.326 174.943 174.600 0.028 0.000 1.321 309 S CA 1.598 59.814 58.200 0.026 0.000 1.243 309 S CB -2.911 60.303 63.200 0.024 0.000 1.531 309 S HN 2.689 nan 8.310 nan 0.000 0.656 310 T N -1.375 113.211 114.554 0.053 0.000 2.916 310 T HA 0.880 5.230 4.350 0.001 0.000 0.292 310 T C 0.214 174.892 174.700 -0.037 0.000 1.064 310 T CA -0.157 61.978 62.100 0.060 0.000 1.011 310 T CB 1.578 70.551 68.868 0.174 0.000 1.152 310 T HN 1.860 nan 8.240 nan 0.000 0.510 311 G N 0.146 108.818 108.800 -0.213 0.000 2.608 311 G HA2 0.573 4.533 3.960 0.001 0.000 0.291 311 G HA3 0.573 4.533 3.960 0.001 0.000 0.291 311 G C -2.677 171.700 174.900 -0.871 0.000 1.425 311 G CA -1.175 43.520 45.100 -0.675 0.000 0.787 311 G HN 0.432 nan 8.290 nan 0.000 0.484 312 P HA -0.131 nan 4.420 nan 0.000 0.218 312 P C 1.863 179.020 177.300 -0.239 0.000 1.148 312 P CA 1.430 64.235 63.100 -0.493 0.000 0.822 312 P CB 0.203 31.722 31.700 -0.302 0.000 0.784 313 Q N -0.591 119.084 119.800 -0.209 0.000 2.364 313 Q HA -0.145 4.195 4.340 0.001 0.000 0.207 313 Q C 0.544 176.491 176.000 -0.088 0.000 0.970 313 Q CA 1.417 57.147 55.803 -0.122 0.000 0.888 313 Q CB -0.919 27.758 28.738 -0.101 0.000 0.951 313 Q HN 0.276 nan 8.270 nan 0.000 0.469 314 D N 0.785 121.134 120.400 -0.085 0.000 2.339 314 D HA 0.180 4.820 4.640 0.001 0.000 0.217 314 D C 0.317 176.621 176.300 0.007 0.000 1.050 314 D CA -0.015 53.970 54.000 -0.024 0.000 0.856 314 D CB 0.310 41.113 40.800 0.005 0.000 0.922 314 D HN 0.231 nan 8.370 nan 0.000 0.518 315 L N 1.218 122.428 121.223 -0.022 0.000 2.426 315 L HA 0.089 4.430 4.340 0.001 0.000 0.271 315 L C 0.664 177.525 176.870 -0.015 0.000 1.169 315 L CA 0.366 55.189 54.840 -0.028 0.000 0.836 315 L CB 0.655 42.602 42.059 -0.186 0.000 1.112 315 L HN -0.236 nan 8.230 nan 0.000 0.465 316 E N 4.652 124.878 120.200 0.043 0.000 2.376 316 E HA 0.340 4.690 4.350 0.001 0.000 0.236 316 E C -0.993 175.678 176.600 0.119 0.000 0.962 316 E CA -0.248 56.189 56.400 0.061 0.000 0.768 316 E CB 0.927 30.674 29.700 0.080 0.000 1.236 316 E HN 0.430 nan 8.360 nan 0.000 0.431 317 L N 0.886 122.134 121.223 0.042 0.000 2.375 317 L HA 0.330 4.670 4.340 0.001 0.000 0.271 317 L C 0.799 177.719 176.870 0.084 0.000 1.107 317 L CA -0.211 54.667 54.840 0.063 0.000 0.806 317 L CB 1.336 43.404 42.059 0.016 0.000 1.146 317 L HN 0.377 nan 8.230 nan 0.000 0.447 318 S N 0.064 115.822 115.700 0.097 0.000 3.009 318 S HA 0.083 4.553 4.470 0.001 0.000 0.254 318 S C -0.497 174.136 174.600 0.055 0.000 1.004 318 S CA -0.387 57.860 58.200 0.078 0.000 1.119 318 S CB 0.511 63.781 63.200 0.117 0.000 1.075 318 S HN 0.661 nan 8.310 nan 0.000 0.618 319 c N 3.557 122.198 118.600 0.069 0.000 2.362 319 c HA 0.537 5.107 4.570 0.001 0.000 0.309 319 c C -1.822 172.300 174.090 0.054 0.000 1.110 319 c CA -1.881 54.484 56.329 0.060 0.000 1.485 319 c CB 0.028 42.583 42.510 0.075 0.000 1.949 319 c HN 0.271 nan 8.230 nan 0.000 0.419 320 P HA -0.089 nan 4.420 nan 0.000 0.220 320 P C 1.338 178.656 177.300 0.030 0.000 1.148 320 P CA 1.394 64.512 63.100 0.031 0.000 0.803 320 P CB 0.158 31.870 31.700 0.020 0.000 0.782 321 S N -2.450 113.265 115.700 0.026 0.000 2.556 321 S HA 0.165 4.635 4.470 0.001 0.000 0.216 321 S C 0.413 175.022 174.600 0.015 0.000 0.970 321 S CA -0.289 57.921 58.200 0.016 0.000 0.912 321 S CB -0.273 62.931 63.200 0.007 0.000 0.790 321 S HN 0.110 nan 8.310 nan 0.000 0.504 322 E N 1.195 121.412 120.200 0.029 0.000 2.292 322 E HA 0.329 4.680 4.350 0.001 0.000 0.272 322 E C -1.118 175.514 176.600 0.052 0.000 0.881 322 E CA -0.710 55.703 56.400 0.023 0.000 0.754 322 E CB 2.058 31.763 29.700 0.008 0.000 1.201 322 E HN 0.161 nan 8.360 nan 0.000 0.425 323 R N 2.865 123.388 120.500 0.039 0.000 2.401 323 R HA 0.129 4.470 4.340 0.001 0.000 0.299 323 R C -0.670 175.688 176.300 0.097 0.000 1.064 323 R CA -0.227 55.917 56.100 0.074 0.000 1.000 323 R CB 0.326 30.654 30.300 0.046 0.000 0.973 323 R HN 0.448 nan 8.270 nan 0.000 0.438 324 F N 7.256 127.228 119.950 0.036 0.000 2.529 324 F HA 0.197 4.724 4.527 0.000 0.000 0.365 324 F C -1.392 174.439 175.800 0.052 0.000 1.102 324 F CA -1.317 56.713 58.000 0.051 0.000 1.271 324 F CB 0.528 39.574 39.000 0.078 0.000 1.120 324 F HN 0.521 nan 8.300 nan 0.000 0.579 325 P HA 0.056 nan 4.420 nan 0.000 0.272 325 P C -0.906 176.433 177.300 0.065 0.000 1.230 325 P CA -0.396 62.606 63.100 -0.164 0.000 0.788 325 P CB 0.590 32.116 31.700 -0.291 0.000 0.949 326 T N 2.571 117.177 114.554 0.086 0.000 2.738 326 T HA 0.350 4.700 4.350 0.001 0.000 0.294 326 T C 0.192 174.976 174.700 0.140 0.000 0.914 326 T CA 0.060 62.246 62.100 0.143 0.000 1.052 326 T CB -0.640 68.282 68.868 0.090 0.000 0.897 326 T HN 0.177 nan 8.240 nan 0.000 0.522 327 L N 3.163 124.535 121.223 0.247 0.000 2.341 327 L HA 0.588 4.928 4.340 0.001 0.000 0.267 327 L C 1.050 178.090 176.870 0.283 0.000 1.009 327 L CA -1.233 53.739 54.840 0.219 0.000 0.819 327 L CB 2.127 44.285 42.059 0.165 0.000 1.323 327 L HN 0.540 nan 8.230 nan 0.000 0.425 328 T N -2.117 112.557 114.554 0.199 0.000 2.847 328 T HA 0.437 4.788 4.350 0.001 0.000 0.279 328 T C -0.001 174.866 174.700 0.278 0.000 0.984 328 T CA -0.515 61.699 62.100 0.190 0.000 0.988 328 T CB 1.387 70.324 68.868 0.114 0.000 1.040 328 T HN 0.514 nan 8.240 nan 0.000 0.528 329 T N 1.982 116.654 114.554 0.197 0.000 2.807 329 T HA 0.345 4.696 4.350 0.001 0.000 0.279 329 T C -0.165 174.607 174.700 0.121 0.000 0.993 329 T CA -0.666 61.553 62.100 0.198 0.000 0.970 329 T CB 1.411 70.329 68.868 0.084 0.000 0.950 329 T HN 0.594 nan 8.240 nan 0.000 0.441 330 Q N 3.482 123.353 119.800 0.120 0.000 2.337 330 Q HA 0.209 4.549 4.340 0.001 0.000 0.270 330 Q C -2.043 173.992 176.000 0.058 0.000 1.002 330 Q CA -1.530 54.320 55.803 0.078 0.000 0.888 330 Q CB 0.345 29.128 28.738 0.073 0.000 1.222 330 Q HN 0.377 nan 8.270 nan 0.000 0.400 331 P HA 0.199 nan 4.420 nan 0.000 0.272 331 P C -0.198 177.119 177.300 0.029 0.000 1.230 331 P CA 0.128 63.247 63.100 0.032 0.000 0.788 331 P CB 0.669 32.385 31.700 0.027 0.000 0.949 332 G N -0.267 108.546 108.800 0.022 0.000 2.697 332 G HA2 0.215 4.176 3.960 0.001 0.000 0.684 332 G HA3 0.215 4.176 3.960 0.001 0.000 0.684 332 G C 0.250 175.160 174.900 0.016 0.000 1.274 332 G CA -0.186 44.925 45.100 0.019 0.000 0.806 332 G HN 0.503 nan 8.290 nan 0.000 0.644 333 A N 0.422 123.249 122.820 0.011 0.000 2.147 333 A HA 0.664 4.985 4.320 0.001 0.000 0.211 333 A C 1.699 179.290 177.584 0.011 0.000 1.160 333 A CA 1.934 53.976 52.037 0.008 0.000 0.781 333 A CB -0.156 18.846 19.000 0.004 0.000 0.842 333 A HN 2.414 nan 8.150 nan 0.000 0.475 334 S N -0.932 114.777 115.700 0.014 0.000 2.621 334 S HA 0.475 4.946 4.470 0.001 0.000 0.302 334 S C -0.233 174.379 174.600 0.020 0.000 1.093 334 S CA -0.618 57.590 58.200 0.015 0.000 1.017 334 S CB 0.912 64.120 63.200 0.013 0.000 1.077 334 S HN 0.405 nan 8.310 nan 0.000 0.517 335 Q N 1.210 121.022 119.800 0.020 0.000 2.330 335 Q HA 0.205 4.546 4.340 0.001 0.000 0.279 335 Q C -0.637 175.378 176.000 0.026 0.000 1.024 335 Q CA 0.072 55.889 55.803 0.025 0.000 0.900 335 Q CB 0.442 29.193 28.738 0.022 0.000 1.221 335 Q HN 0.763 nan 8.270 nan 0.000 0.396 336 S N 3.437 119.154 115.700 0.030 0.000 2.565 336 S HA 0.301 4.771 4.470 0.001 0.000 0.274 336 S C 0.029 174.648 174.600 0.031 0.000 1.309 336 S CA -0.655 57.564 58.200 0.031 0.000 1.043 336 S CB 0.544 63.764 63.200 0.034 0.000 0.939 336 S HN 0.516 nan 8.310 nan 0.000 0.504 337 L N 2.619 123.862 121.223 0.033 0.000 2.483 337 L HA 0.229 4.569 4.340 0.001 0.000 0.276 337 L C -0.080 176.817 176.870 0.045 0.000 1.213 337 L CA 0.051 54.914 54.840 0.037 0.000 0.843 337 L CB 0.030 42.114 42.059 0.040 0.000 1.107 337 L HN 0.533 nan 8.230 nan 0.000 0.487 338 I N 2.552 123.149 120.570 0.045 0.000 2.312 338 I HA 0.232 4.402 4.170 0.001 0.000 0.291 338 I C 0.675 176.849 176.117 0.095 0.000 1.031 338 I CA -0.281 61.048 61.300 0.048 0.000 1.293 338 I CB 1.256 39.261 38.000 0.008 0.000 1.403 338 I HN 0.663 nan 8.210 nan 0.000 0.484 339 A N 4.392 127.296 122.820 0.140 0.000 2.531 339 A HA -0.054 4.266 4.320 0.001 0.000 0.236 339 A C 1.089 178.854 177.584 0.302 0.000 1.062 339 A CA 0.147 52.303 52.037 0.199 0.000 0.760 339 A CB -0.039 19.083 19.000 0.203 0.000 0.995 339 A HN 0.854 nan 8.150 nan 0.000 0.501 340 H N 0.365 119.531 119.070 0.160 0.000 2.462 340 H HA 0.017 4.573 4.556 0.001 0.000 0.292 340 H C 0.124 175.610 175.328 0.263 0.000 1.049 340 H CA 1.517 57.677 56.048 0.187 0.000 1.334 340 H CB 0.034 29.849 29.762 0.088 0.000 1.404 340 H HN 0.601 nan 8.280 nan 0.000 0.544 341 c N 0.564 119.213 118.600 0.081 0.000 2.456 341 c HA 0.251 4.821 4.570 0.001 0.000 0.325 341 c C -1.048 172.722 174.090 -0.533 0.000 1.217 341 c CA -1.271 54.911 56.329 -0.246 0.000 1.687 341 c CB 2.170 44.605 42.510 -0.124 0.000 2.270 341 c HN 0.323 nan 8.230 nan 0.000 0.499 342 P HA -0.146 nan 4.420 nan 0.000 0.216 342 P C 0.840 177.933 177.300 -0.345 0.000 1.150 342 P CA 1.553 64.085 63.100 -0.948 0.000 0.843 342 P CB 0.029 31.259 31.700 -0.782 0.000 0.787 343 D N -2.155 118.099 120.400 -0.242 0.000 2.328 343 D HA 0.096 4.737 4.640 0.001 0.000 0.226 343 D C 1.394 177.655 176.300 -0.064 0.000 1.066 343 D CA 0.558 54.486 54.000 -0.120 0.000 0.861 343 D CB -0.625 40.118 40.800 -0.094 0.000 0.912 343 D HN 0.267 nan 8.370 nan 0.000 0.521 344 G N 0.002 108.771 108.800 -0.052 0.000 2.259 344 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 344 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 344 G C 0.619 175.535 174.900 0.026 0.000 1.001 344 G CA 0.295 45.401 45.100 0.010 0.000 0.627 344 G HN 0.743 nan 8.290 nan 0.000 0.501 345 S N -0.295 115.409 115.700 0.007 0.000 2.618 345 S HA 0.656 5.126 4.470 0.001 0.000 0.254 345 S C 1.357 176.000 174.600 0.072 0.000 1.284 345 S CA 0.620 58.836 58.200 0.026 0.000 0.975 345 S CB 0.782 63.987 63.200 0.009 0.000 1.022 345 S HN 0.248 nan 8.310 nan 0.000 0.571 346 M N 0.242 119.886 119.600 0.074 0.000 2.292 346 M HA 0.190 4.670 4.480 0.001 0.000 0.286 346 M C -0.592 175.791 176.300 0.137 0.000 1.002 346 M CA 0.015 55.381 55.300 0.110 0.000 1.029 346 M CB 0.578 33.203 32.600 0.042 0.000 1.537 346 M HN 0.703 nan 8.290 nan 0.000 0.543 347 S N 0.907 116.667 115.700 0.100 0.000 2.774 347 S HA 0.465 4.935 4.470 0.001 0.000 0.297 347 S C -0.334 174.295 174.600 0.050 0.000 1.143 347 S CA -0.906 57.341 58.200 0.078 0.000 1.090 347 S CB 0.704 63.923 63.200 0.031 0.000 1.019 347 S HN 0.414 nan 8.310 nan 0.000 0.482 348 c N 0.427 119.062 118.600 0.058 0.000 2.890 348 c HA 0.363 4.934 4.570 0.001 0.000 0.264 348 c C -2.575 171.507 174.090 -0.012 0.000 0.934 348 c CA -1.427 54.896 56.329 -0.009 0.000 1.016 348 c CB -1.583 40.886 42.510 -0.068 0.000 1.704 348 c HN 0.650 nan 8.230 nan 0.000 0.671 349 P HA 0.426 nan 4.420 nan 0.000 0.271 349 P C 0.601 177.883 177.300 -0.031 0.000 1.220 349 P CA 1.100 64.201 63.100 0.001 0.000 0.768 349 P CB 0.966 32.665 31.700 -0.001 0.000 0.848 350 G N 1.577 110.355 108.800 -0.036 0.000 2.502 350 G HA2 0.411 4.372 3.960 0.001 0.000 0.305 350 G HA3 0.411 4.372 3.960 0.001 0.000 0.305 350 G C -0.486 174.362 174.900 -0.086 0.000 1.190 350 G CA -0.671 44.394 45.100 -0.057 0.000 0.933 350 G HN 0.405 nan 8.290 nan 0.000 0.503 351 V N 0.503 120.343 119.914 -0.123 0.000 2.637 351 V HA 0.310 4.430 4.120 0.001 0.000 0.296 351 V C 0.181 176.119 176.094 -0.260 0.000 1.046 351 V CA 0.232 62.397 62.300 -0.226 0.000 1.066 351 V CB 1.205 32.859 31.823 -0.282 0.000 0.968 351 V HN 0.766 nan 8.190 nan 0.000 0.483 352 Q N 4.042 123.657 119.800 -0.309 0.000 2.269 352 Q HA 0.488 4.828 4.340 0.001 0.000 0.263 352 Q C -1.463 174.381 176.000 -0.259 0.000 0.983 352 Q CA -0.344 55.328 55.803 -0.218 0.000 0.777 352 Q CB 1.283 29.974 28.738 -0.078 0.000 1.273 352 Q HN 0.490 nan 8.270 nan 0.000 0.440 353 F N 1.848 121.813 119.950 0.025 0.000 2.375 353 F HA 0.426 4.954 4.527 0.001 0.000 0.333 353 F C 0.881 176.688 175.800 0.012 0.000 1.104 353 F CA -0.246 57.761 58.000 0.012 0.000 1.149 353 F CB 0.938 39.944 39.000 0.011 0.000 1.190 353 F HN 0.552 nan 8.300 nan 0.000 0.533 354 N N 0.030 118.857 118.700 0.210 0.000 2.424 354 N HA 0.647 5.387 4.740 0.001 0.000 0.257 354 N C 0.064 175.637 175.510 0.104 0.000 1.250 354 N CA -0.031 53.089 53.050 0.117 0.000 0.946 354 N CB 0.894 39.429 38.487 0.079 0.000 1.175 354 N HN 0.779 nan 8.380 nan 0.000 0.477 355 G N -0.495 108.345 108.800 0.066 0.000 2.489 355 G HA2 0.220 4.180 3.960 0.001 0.000 0.305 355 G HA3 0.220 4.180 3.960 0.001 0.000 0.305 355 G C -2.336 172.582 174.900 0.029 0.000 1.311 355 G CA -0.595 44.530 45.100 0.043 0.000 0.813 355 G HN 0.382 nan 8.290 nan 0.000 0.480 356 P HA 0.242 nan 4.420 nan 0.000 0.236 356 P C 0.888 178.197 177.300 0.016 0.000 1.177 356 P CA 1.084 64.191 63.100 0.012 0.000 0.773 356 P CB 0.384 32.084 31.700 0.000 0.000 0.878 357 A N 0.000 122.833 122.820 0.022 0.000 2.254 357 A HA 0.000 4.320 4.320 0.001 0.000 0.244 357 A CA 0.000 52.047 52.037 0.018 0.000 0.836 357 A CB 0.000 19.013 19.000 0.021 0.000 0.831 357 A HN 0.000 nan 8.150 nan 0.000 0.486