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 3m8m_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 0.000 177.590 177.584 0.011 0.000 1.274 1 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1 A CB 0.000 19.017 19.000 0.028 0.000 0.831 2 V N 1.034 120.957 119.914 0.015 0.000 2.370 2 V HA 0.408 4.529 4.120 0.001 0.000 0.283 2 V C 0.360 176.468 176.094 0.023 0.000 1.023 2 V CA -0.638 61.672 62.300 0.017 0.000 0.857 2 V CB 0.877 32.707 31.823 0.013 0.000 0.985 2 V HN 1.066 nan 8.190 nan 0.000 0.443 3 c N 6.203 124.820 118.600 0.028 0.000 2.500 3 c HA 0.282 4.853 4.570 0.001 0.000 0.367 3 c C -0.462 173.643 174.090 0.026 0.000 1.283 3 c CA -0.784 55.565 56.329 0.032 0.000 2.456 3 c CB 0.707 43.243 42.510 0.042 0.000 2.457 3 c HN 0.688 nan 8.230 nan 0.000 0.632 4 P HA -0.126 nan 4.420 nan 0.000 0.219 4 P C 0.982 178.294 177.300 0.020 0.000 1.146 4 P CA 1.451 64.561 63.100 0.018 0.000 0.808 4 P CB -0.098 31.611 31.700 0.015 0.000 0.779 5 D N -1.537 118.878 120.400 0.026 0.000 2.363 5 D HA 0.005 4.646 4.640 0.001 0.000 0.226 5 D C 1.443 177.758 176.300 0.024 0.000 1.020 5 D CA 0.902 54.918 54.000 0.027 0.000 0.892 5 D CB -0.808 40.013 40.800 0.035 0.000 0.900 5 D HN 0.236 nan 8.370 nan 0.000 0.531 6 G N -0.387 108.426 108.800 0.023 0.000 2.195 6 G HA2 -0.259 3.701 3.960 0.001 0.000 0.246 6 G HA3 -0.259 3.701 3.960 0.001 0.000 0.246 6 G C 0.426 175.340 174.900 0.022 0.000 0.984 6 G CA 0.332 45.444 45.100 0.020 0.000 0.633 6 G HN 0.465 nan 8.290 nan 0.000 0.525 7 T N 1.360 115.931 114.554 0.029 0.000 2.834 7 T HA 0.415 4.766 4.350 0.001 0.000 0.298 7 T C 0.602 175.319 174.700 0.028 0.000 0.966 7 T CA 0.091 62.210 62.100 0.031 0.000 1.141 7 T CB 1.252 70.146 68.868 0.043 0.000 0.905 7 T HN 0.516 nan 8.240 nan 0.000 0.535 8 R N 2.791 123.304 120.500 0.020 0.000 2.265 8 R HA 0.507 4.847 4.340 0.001 0.000 0.314 8 R C -0.327 175.980 176.300 0.011 0.000 1.053 8 R CA -0.469 55.638 56.100 0.012 0.000 0.931 8 R CB 0.275 30.578 30.300 0.005 0.000 1.024 8 R HN 0.565 nan 8.270 nan 0.000 0.457 9 V N 1.094 121.011 119.914 0.005 0.000 3.141 9 V HA 0.405 4.526 4.120 0.001 0.000 0.312 9 V C 1.051 177.110 176.094 -0.060 0.000 1.157 9 V CA -0.138 62.162 62.300 -0.000 0.000 1.041 9 V CB 1.747 33.595 31.823 0.042 0.000 1.071 9 V HN 0.922 nan 8.190 nan 0.000 0.441 10 S N 0.073 115.706 115.700 -0.111 0.000 2.365 10 S HA -0.107 4.363 4.470 0.001 0.000 0.225 10 S C 0.713 174.982 174.600 -0.550 0.000 1.039 10 S CA 1.448 59.438 58.200 -0.349 0.000 1.033 10 S CB -0.774 62.247 63.200 -0.299 0.000 0.887 10 S HN 0.965 nan 8.310 nan 0.000 0.447 11 H N -1.108 117.979 119.070 0.027 0.000 2.894 11 H HA 0.630 5.186 4.556 0.001 0.000 0.367 11 H C 0.947 176.300 175.328 0.041 0.000 1.144 11 H CA -0.350 55.714 56.048 0.027 0.000 1.180 11 H CB 1.704 31.477 29.762 0.018 0.000 1.758 11 H HN 0.269 nan 8.280 nan 0.000 0.541 12 A N 2.177 125.086 122.820 0.148 0.000 1.940 12 A HA -0.149 4.171 4.320 0.001 0.000 0.219 12 A C 2.168 179.819 177.584 0.112 0.000 1.176 12 A CA 2.015 54.112 52.037 0.100 0.000 0.631 12 A CB -0.601 18.443 19.000 0.073 0.000 0.814 12 A HN 0.743 nan 8.150 nan 0.000 0.446 13 A N -1.470 121.428 122.820 0.131 0.000 2.172 13 A HA -0.051 4.269 4.320 0.001 0.000 0.216 13 A C 1.968 179.686 177.584 0.223 0.000 1.154 13 A CA 1.384 53.499 52.037 0.130 0.000 0.701 13 A CB -1.006 18.051 19.000 0.094 0.000 0.789 13 A HN 0.628 nan 8.150 nan 0.000 0.465 14 c N -2.113 116.631 118.600 0.239 0.000 2.514 14 c HA -0.007 4.564 4.570 0.001 0.000 0.271 14 c C 2.590 176.857 174.090 0.295 0.000 1.399 14 c CA -0.026 56.500 56.329 0.328 0.000 1.765 14 c CB -1.870 40.767 42.510 0.211 0.000 1.893 14 c HN 0.762 nan 8.230 nan 0.000 0.531 15 c N 1.403 120.102 118.600 0.165 0.000 2.413 15 c HA -0.140 4.430 4.570 0.001 0.000 0.276 15 c C 3.086 177.212 174.090 0.060 0.000 1.248 15 c CA 1.625 58.015 56.329 0.101 0.000 1.742 15 c CB -1.379 41.169 42.510 0.063 0.000 2.017 15 c HN 0.712 nan 8.230 nan 0.000 0.481 16 A N -0.677 122.131 122.820 -0.021 0.000 2.121 16 A HA -0.054 4.267 4.320 0.001 0.000 0.218 16 A C 1.689 179.112 177.584 -0.269 0.000 1.154 16 A CA 1.127 53.077 52.037 -0.145 0.000 0.679 16 A CB -0.710 18.148 19.000 -0.237 0.000 0.795 16 A HN 0.592 nan 8.150 nan 0.000 0.458 17 F N -0.096 119.760 119.950 -0.158 0.000 2.407 17 F HA -0.012 4.516 4.527 0.001 0.000 0.299 17 F C 1.959 177.671 175.800 -0.147 0.000 1.097 17 F CA 0.712 58.475 58.000 -0.395 0.000 1.422 17 F CB -0.329 38.191 39.000 -0.801 0.000 1.067 17 F HN 0.163 nan 8.300 nan 0.000 0.539 18 I N 1.062 121.701 120.570 0.114 0.000 2.113 18 I HA -0.212 3.958 4.170 0.001 0.000 0.238 18 I C -0.276 175.910 176.117 0.115 0.000 1.070 18 I CA 1.304 62.685 61.300 0.136 0.000 1.332 18 I CB -1.872 36.194 38.000 0.109 0.000 1.044 18 I HN -0.005 nan 8.210 nan 0.000 0.402 19 P HA -0.151 nan 4.420 nan 0.000 0.221 19 P C 1.875 179.234 177.300 0.098 0.000 1.150 19 P CA 1.142 64.319 63.100 0.127 0.000 0.800 19 P CB -0.039 31.758 31.700 0.162 0.000 0.787 20 L N 0.538 121.723 121.223 -0.063 0.000 2.017 20 L HA -0.057 4.283 4.340 0.001 0.000 0.208 20 L C 2.486 179.342 176.870 -0.024 0.000 1.073 20 L CA 2.156 56.785 54.840 -0.350 0.000 0.745 20 L CB -1.618 40.212 42.059 -0.381 0.000 0.894 20 L HN -0.086 nan 8.230 nan 0.000 0.432 21 A N -0.960 121.996 122.820 0.227 0.000 1.883 21 A HA -0.286 4.035 4.320 0.001 0.000 0.217 21 A C 2.195 179.824 177.584 0.075 0.000 1.186 21 A CA 2.027 54.181 52.037 0.195 0.000 0.624 21 A CB -0.697 18.465 19.000 0.271 0.000 0.822 21 A HN 0.689 nan 8.150 nan 0.000 0.444 22 Q N -1.058 118.796 119.800 0.090 0.000 2.084 22 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 22 Q C 1.837 177.885 176.000 0.079 0.000 0.978 22 Q CA 1.468 57.318 55.803 0.078 0.000 0.844 22 Q CB -0.249 28.541 28.738 0.087 0.000 0.898 22 Q HN 0.674 nan 8.270 nan 0.000 0.426 23 D N 0.619 121.085 120.400 0.110 0.000 2.117 23 D HA -0.110 4.530 4.640 0.001 0.000 0.197 23 D C 1.841 178.237 176.300 0.159 0.000 0.987 23 D CA 0.878 55.003 54.000 0.209 0.000 0.829 23 D CB -0.057 40.978 40.800 0.391 0.000 0.961 23 D HN 0.143 nan 8.370 nan 0.000 0.460 24 L N 0.232 121.392 121.223 -0.105 0.000 2.046 24 L HA -0.188 4.152 4.340 0.001 0.000 0.208 24 L C 2.687 179.344 176.870 -0.355 0.000 1.077 24 L CA 0.987 55.532 54.840 -0.493 0.000 0.747 24 L CB -0.408 41.315 42.059 -0.560 0.000 0.896 24 L HN 0.072 nan 8.230 nan 0.000 0.432 25 Q N 0.084 119.837 119.800 -0.077 0.000 2.050 25 Q HA -0.220 4.120 4.340 0.001 0.000 0.202 25 Q C 2.109 178.119 176.000 0.017 0.000 0.980 25 Q CA 1.632 57.458 55.803 0.038 0.000 0.840 25 Q CB -0.224 28.556 28.738 0.071 0.000 0.898 25 Q HN 0.602 nan 8.270 nan 0.000 0.424 26 E N -0.327 119.892 120.200 0.032 0.000 2.106 26 E HA -0.104 4.246 4.350 0.001 0.000 0.192 26 E C 1.889 178.516 176.600 0.045 0.000 0.984 26 E CA 1.493 57.919 56.400 0.044 0.000 0.806 26 E CB 0.099 29.837 29.700 0.063 0.000 0.750 26 E HN 0.290 nan 8.360 nan 0.000 0.458 27 T N 0.719 115.317 114.554 0.073 0.000 2.901 27 T HA 0.037 4.387 4.350 0.001 0.000 0.252 27 T C 2.080 176.810 174.700 0.049 0.000 1.035 27 T CA 1.030 63.210 62.100 0.133 0.000 1.142 27 T CB 0.086 69.169 68.868 0.358 0.000 0.869 27 T HN 0.268 nan 8.240 nan 0.000 0.442 28 I N -3.179 117.331 120.570 -0.099 0.000 4.244 28 I HA 0.400 4.571 4.170 0.001 0.000 0.318 28 I C 1.497 177.517 176.117 -0.162 0.000 1.282 28 I CA 0.221 61.402 61.300 -0.197 0.000 1.276 28 I CB 0.004 37.851 38.000 -0.255 0.000 1.183 28 I HN 0.086 nan 8.210 nan 0.000 0.431 29 F N 1.070 121.000 119.950 -0.034 0.000 2.559 29 F HA 0.247 4.774 4.527 0.001 0.000 0.286 29 F C 0.647 176.404 175.800 -0.073 0.000 1.108 29 F CA -0.405 57.552 58.000 -0.071 0.000 1.436 29 F CB 0.106 39.052 39.000 -0.090 0.000 1.130 29 F HN -0.037 nan 8.300 nan 0.000 0.584 30 Q N 1.062 120.925 119.800 0.105 0.000 2.457 30 Q HA -0.306 4.035 4.340 0.001 0.000 0.283 30 Q C -0.124 175.896 176.000 0.034 0.000 1.234 30 Q CA 1.032 56.861 55.803 0.043 0.000 0.877 30 Q CB -2.590 26.150 28.738 0.004 0.000 1.250 30 Q HN 0.684 nan 8.270 nan 0.000 0.481 31 N N -2.059 116.681 118.700 0.066 0.000 2.753 31 N HA -0.212 4.528 4.740 0.001 0.000 0.251 31 N C -0.765 174.731 175.510 -0.024 0.000 1.097 31 N CA 1.039 54.100 53.050 0.019 0.000 0.786 31 N CB -0.208 38.281 38.487 0.003 0.000 1.137 31 N HN 0.413 nan 8.380 nan 0.000 0.566 32 E N -0.008 120.173 120.200 -0.032 0.000 2.212 32 E HA 0.270 4.621 4.350 0.001 0.000 0.270 32 E C -0.277 176.247 176.600 -0.126 0.000 0.956 32 E CA -0.613 55.732 56.400 -0.092 0.000 0.825 32 E CB 1.689 31.307 29.700 -0.136 0.000 1.167 32 E HN 0.217 nan 8.360 nan 0.000 0.400 33 c N 3.362 121.896 118.600 -0.110 0.000 2.687 33 c HA 0.469 5.039 4.570 0.001 0.000 0.465 33 c C 0.764 174.752 174.090 -0.169 0.000 1.304 33 c CA -0.237 56.044 56.329 -0.080 0.000 1.620 33 c CB -1.942 40.618 42.510 0.082 0.000 2.212 33 c HN 0.640 nan 8.230 nan 0.000 0.616 34 G N 0.580 109.185 108.800 -0.325 0.000 2.702 34 G HA2 0.320 4.280 3.960 0.001 0.000 0.254 34 G HA3 0.320 4.280 3.960 0.001 0.000 0.254 34 G C 0.619 175.184 174.900 -0.558 0.000 1.380 34 G CA 0.077 44.931 45.100 -0.410 0.000 1.042 34 G HN 0.386 nan 8.290 nan 0.000 0.557 35 E N -0.210 119.822 120.200 -0.279 0.000 2.049 35 E HA -0.170 4.180 4.350 0.001 0.000 0.198 35 E C 1.806 178.380 176.600 -0.044 0.000 1.007 35 E CA 2.271 58.596 56.400 -0.124 0.000 0.809 35 E CB -0.243 29.428 29.700 -0.049 0.000 0.749 35 E HN 0.387 nan 8.360 nan 0.000 0.450 36 D N -0.479 119.927 120.400 0.010 0.000 2.144 36 D HA -0.044 4.596 4.640 0.001 0.000 0.200 36 D C 1.746 178.188 176.300 0.238 0.000 0.978 36 D CA 1.460 55.546 54.000 0.144 0.000 0.833 36 D CB -0.523 40.380 40.800 0.173 0.000 0.961 36 D HN 0.327 nan 8.370 nan 0.000 0.470 37 A N 0.433 123.298 122.820 0.075 0.000 1.877 37 A HA -0.234 4.086 4.320 0.001 0.000 0.216 37 A C 1.854 179.409 177.584 -0.048 0.000 1.186 37 A CA 1.652 53.527 52.037 -0.270 0.000 0.620 37 A CB -1.115 17.609 19.000 -0.460 0.000 0.822 37 A HN 0.403 nan 8.150 nan 0.000 0.443 38 H N -0.580 118.472 119.070 -0.030 0.000 2.353 38 H HA -0.150 4.406 4.556 0.001 0.000 0.298 38 H C 2.182 177.523 175.328 0.021 0.000 1.103 38 H CA 1.361 57.403 56.048 -0.010 0.000 1.293 38 H CB -0.014 29.735 29.762 -0.022 0.000 1.372 38 H HN 0.625 nan 8.280 nan 0.000 0.501 39 E N 0.384 120.688 120.200 0.174 0.000 2.077 39 E HA -0.137 4.213 4.350 0.001 0.000 0.193 39 E C 2.429 179.103 176.600 0.122 0.000 0.989 39 E CA 1.173 57.646 56.400 0.123 0.000 0.800 39 E CB 0.023 29.785 29.700 0.105 0.000 0.746 39 E HN 0.223 nan 8.360 nan 0.000 0.452 40 V N 1.499 121.503 119.914 0.150 0.000 2.427 40 V HA -0.243 3.878 4.120 0.001 0.000 0.248 40 V C 2.224 178.390 176.094 0.121 0.000 1.051 40 V CA 1.416 63.807 62.300 0.151 0.000 1.048 40 V CB -0.374 31.596 31.823 0.244 0.000 0.666 40 V HN 0.247 nan 8.190 nan 0.000 0.456 41 I N -0.183 120.448 120.570 0.102 0.000 2.179 41 I HA -0.273 3.897 4.170 0.001 0.000 0.242 41 I C 2.726 178.968 176.117 0.208 0.000 1.088 41 I CA 1.887 63.269 61.300 0.135 0.000 1.357 41 I CB -0.467 37.608 38.000 0.126 0.000 1.051 41 I HN 0.224 nan 8.210 nan 0.000 0.409 42 R N 1.069 121.687 120.500 0.197 0.000 2.091 42 R HA -0.228 4.113 4.340 0.001 0.000 0.238 42 R C 2.383 178.823 176.300 0.233 0.000 1.136 42 R CA 1.643 57.893 56.100 0.250 0.000 0.959 42 R CB -0.352 30.032 30.300 0.139 0.000 0.856 42 R HN 0.244 nan 8.270 nan 0.000 0.437 43 L N 1.021 122.319 121.223 0.126 0.000 2.079 43 L HA -0.130 4.210 4.340 0.001 0.000 0.210 43 L C 1.859 178.840 176.870 0.186 0.000 1.081 43 L CA 2.086 56.995 54.840 0.115 0.000 0.752 43 L CB -0.668 41.449 42.059 0.096 0.000 0.896 43 L HN 0.181 nan 8.230 nan 0.000 0.433 44 T N -0.554 114.125 114.554 0.208 0.000 2.720 44 T HA -0.263 4.087 4.350 0.001 0.000 0.268 44 T C 1.642 176.506 174.700 0.273 0.000 1.037 44 T CA 2.086 64.316 62.100 0.216 0.000 1.144 44 T CB -0.638 68.346 68.868 0.194 0.000 0.864 44 T HN 0.507 nan 8.240 nan 0.000 0.444 45 F N 1.141 121.206 119.950 0.192 0.000 2.113 45 F HA -0.142 4.386 4.527 0.001 0.000 0.297 45 F C 2.594 178.506 175.800 0.188 0.000 1.103 45 F CA 1.361 59.472 58.000 0.185 0.000 1.248 45 F CB -0.195 38.942 39.000 0.229 0.000 0.999 45 F HN 0.276 nan 8.300 nan 0.000 0.475 46 H N -1.046 117.898 119.070 -0.209 0.000 2.423 46 H HA -0.168 4.388 4.556 0.001 0.000 0.297 46 H C 1.587 176.821 175.328 -0.157 0.000 1.075 46 H CA 1.236 57.093 56.048 -0.319 0.000 1.342 46 H CB -0.201 29.490 29.762 -0.118 0.000 1.395 46 H HN 0.357 nan 8.280 nan 0.000 0.530 47 D N 0.780 121.235 120.400 0.093 0.000 2.084 47 D HA -0.101 4.540 4.640 0.001 0.000 0.194 47 D C 2.338 178.669 176.300 0.052 0.000 0.990 47 D CA 1.348 55.398 54.000 0.083 0.000 0.826 47 D CB -0.145 40.729 40.800 0.123 0.000 0.971 47 D HN 0.301 nan 8.370 nan 0.000 0.453 48 A N -0.043 122.817 122.820 0.067 0.000 1.898 48 A HA -0.074 4.246 4.320 0.001 0.000 0.216 48 A C 2.254 179.856 177.584 0.030 0.000 1.181 48 A CA 1.002 53.097 52.037 0.096 0.000 0.620 48 A CB -0.644 18.460 19.000 0.173 0.000 0.819 48 A HN 0.343 nan 8.150 nan 0.000 0.442 49 I N -0.350 120.151 120.570 -0.116 0.000 3.111 49 I HA 0.118 4.289 4.170 0.001 0.000 0.272 49 I C 1.421 177.439 176.117 -0.165 0.000 1.268 49 I CA 0.355 61.543 61.300 -0.187 0.000 1.467 49 I CB -0.161 37.535 38.000 -0.506 0.000 1.087 49 I HN 0.208 nan 8.210 nan 0.000 0.467 50 A N 1.845 124.591 122.820 -0.123 0.000 2.990 50 A HA 0.490 4.810 4.320 0.001 0.000 0.282 50 A C 0.050 177.616 177.584 -0.030 0.000 1.688 50 A CA -0.049 51.945 52.037 -0.073 0.000 1.391 50 A CB -0.844 18.136 19.000 -0.034 0.000 1.112 50 A HN 0.360 nan 8.150 nan 0.000 0.588 51 I N 0.352 120.903 120.570 -0.032 0.000 2.842 51 I HA 0.552 4.722 4.170 0.001 0.000 0.297 51 I C -1.035 175.074 176.117 -0.013 0.000 1.380 51 I CA -0.232 61.059 61.300 -0.015 0.000 1.018 51 I CB 2.205 40.204 38.000 -0.001 0.000 1.311 51 I HN 0.256 nan 8.210 nan 0.000 0.439 52 S N 5.424 121.117 115.700 -0.011 0.000 2.677 52 S HA 0.503 4.973 4.470 0.001 0.000 0.283 52 S C 0.530 175.127 174.600 -0.004 0.000 1.159 52 S CA -0.685 57.512 58.200 -0.006 0.000 1.001 52 S CB 1.702 64.894 63.200 -0.013 0.000 1.032 52 S HN 0.814 nan 8.310 nan 0.000 0.487 53 R N 1.937 122.439 120.500 0.004 0.000 2.083 53 R HA -0.093 4.248 4.340 0.001 0.000 0.237 53 R C 2.442 178.742 176.300 -0.001 0.000 1.137 53 R CA 2.130 58.230 56.100 0.000 0.000 0.951 53 R CB -0.430 29.874 30.300 0.006 0.000 0.851 53 R HN 0.807 nan 8.270 nan 0.000 0.434 54 S N 0.573 116.275 115.700 0.002 0.000 2.371 54 S HA -0.156 4.314 4.470 0.001 0.000 0.224 54 S C 1.904 176.501 174.600 -0.005 0.000 1.029 54 S CA 0.806 59.007 58.200 0.001 0.000 0.978 54 S CB -0.135 63.068 63.200 0.005 0.000 0.833 54 S HN 0.342 nan 8.310 nan 0.000 0.466 55 Q N 1.141 120.936 119.800 -0.008 0.000 2.311 55 Q HA 0.337 4.677 4.340 0.001 0.000 0.203 55 Q C 1.179 177.171 176.000 -0.013 0.000 0.954 55 Q CA 0.337 56.133 55.803 -0.012 0.000 0.885 55 Q CB -0.249 28.479 28.738 -0.017 0.000 0.963 55 Q HN 0.770 nan 8.270 nan 0.000 0.471 56 G N 0.730 109.522 108.800 -0.013 0.000 2.757 56 G HA2 -0.194 3.767 3.960 0.001 0.000 0.638 56 G HA3 -0.194 3.767 3.960 0.001 0.000 0.638 56 G C -2.303 172.586 174.900 -0.019 0.000 1.344 56 G CA -0.447 44.645 45.100 -0.015 0.000 0.855 56 G HN -0.007 nan 8.290 nan 0.000 0.537 57 P HA -0.056 nan 4.420 nan 0.000 0.220 57 P C 1.655 178.939 177.300 -0.026 0.000 1.148 57 P CA 1.920 65.004 63.100 -0.025 0.000 0.803 57 P CB -0.108 31.577 31.700 -0.024 0.000 0.782 58 K N 0.107 120.493 120.400 -0.023 0.000 2.362 58 K HA 0.036 4.357 4.320 0.001 0.000 0.200 58 K C 1.869 178.450 176.600 -0.031 0.000 1.046 58 K CA 1.188 57.458 56.287 -0.028 0.000 0.952 58 K CB -0.653 31.833 32.500 -0.023 0.000 0.753 58 K HN -0.053 nan 8.250 nan 0.000 0.466 59 A N 1.142 123.946 122.820 -0.027 0.000 2.067 59 A HA 0.267 4.588 4.320 0.001 0.000 0.217 59 A C 0.914 178.485 177.584 -0.022 0.000 1.156 59 A CA 0.769 52.791 52.037 -0.025 0.000 0.683 59 A CB -0.255 18.730 19.000 -0.024 0.000 0.808 59 A HN 0.588 nan 8.150 nan 0.000 0.455 60 G N -3.799 104.985 108.800 -0.027 0.000 2.352 60 G HA2 0.427 4.387 3.960 0.001 0.000 0.303 60 G HA3 0.427 4.387 3.960 0.001 0.000 0.303 60 G C 0.181 175.066 174.900 -0.024 0.000 1.593 60 G CA -0.078 45.008 45.100 -0.024 0.000 0.963 60 G HN 0.825 nan 8.290 nan 0.000 0.685 61 G N -0.615 108.175 108.800 -0.017 0.000 3.337 61 G HA2 0.627 4.587 3.960 0.001 0.000 0.246 61 G HA3 0.627 4.587 3.960 0.001 0.000 0.246 61 G C 1.317 176.198 174.900 -0.031 0.000 1.131 61 G CA 1.492 46.574 45.100 -0.030 0.000 0.773 61 G HN 2.398 nan 8.290 nan 0.000 0.544 62 G N 0.230 109.032 108.800 0.003 0.000 2.509 62 G HA2 0.142 4.102 3.960 0.001 0.000 0.259 62 G HA3 0.142 4.102 3.960 0.001 0.000 0.259 62 G C 0.702 175.659 174.900 0.096 0.000 1.169 62 G CA 0.064 45.185 45.100 0.035 0.000 0.953 62 G HN 1.393 nan 8.290 nan 0.000 0.563 63 A N 1.274 124.194 122.820 0.167 0.000 2.981 63 A HA 0.512 4.833 4.320 0.001 0.000 0.280 63 A C 0.925 178.696 177.584 0.312 0.000 1.743 63 A CA 1.322 53.496 52.037 0.229 0.000 1.430 63 A CB -0.593 18.557 19.000 0.249 0.000 1.085 63 A HN 1.306 nan 8.150 nan 0.000 0.597 64 D N 0.101 120.636 120.400 0.226 0.000 2.539 64 D HA 0.194 4.835 4.640 0.001 0.000 0.232 64 D C 0.934 177.345 176.300 0.185 0.000 1.256 64 D CA 0.530 54.666 54.000 0.226 0.000 0.810 64 D CB -0.599 40.299 40.800 0.164 0.000 1.090 64 D HN 0.938 nan 8.370 nan 0.000 0.519 65 G N 1.126 110.026 108.800 0.168 0.000 2.166 65 G HA2 -0.393 3.568 3.960 0.001 0.000 0.260 65 G HA3 -0.393 3.568 3.960 0.001 0.000 0.260 65 G C 1.250 176.244 174.900 0.157 0.000 0.986 65 G CA 1.172 46.361 45.100 0.149 0.000 0.683 65 G HN 0.755 nan 8.290 nan 0.000 0.527 66 S N -0.752 115.056 115.700 0.181 0.000 2.400 66 S HA -0.087 4.384 4.470 0.001 0.000 0.232 66 S C 2.342 177.072 174.600 0.217 0.000 1.025 66 S CA 1.709 60.062 58.200 0.255 0.000 0.993 66 S CB -0.259 63.040 63.200 0.165 0.000 0.808 66 S HN 0.338 nan 8.310 nan 0.000 0.478 67 M N 1.215 120.893 119.600 0.130 0.000 2.159 67 M HA 0.077 4.557 4.480 0.001 0.000 0.263 67 M C 2.194 178.543 176.300 0.082 0.000 1.063 67 M CA 1.230 56.583 55.300 0.087 0.000 1.110 67 M CB -1.216 31.430 32.600 0.076 0.000 1.374 67 M HN 0.400 nan 8.290 nan 0.000 0.411 68 L N -1.005 120.268 121.223 0.084 0.000 2.162 68 L HA -0.082 4.259 4.340 0.001 0.000 0.205 68 L C 2.243 179.113 176.870 -0.000 0.000 1.086 68 L CA 0.590 55.461 54.840 0.052 0.000 0.778 68 L CB -0.454 41.642 42.059 0.062 0.000 0.928 68 L HN 0.248 nan 8.230 nan 0.000 0.446 69 L N -1.343 119.873 121.223 -0.011 0.000 2.341 69 L HA -0.019 4.321 4.340 0.001 0.000 0.214 69 L C 0.241 176.804 176.870 -0.512 0.000 1.115 69 L CA 0.733 55.438 54.840 -0.223 0.000 0.820 69 L CB 0.132 42.065 42.059 -0.211 0.000 0.944 69 L HN 0.117 nan 8.230 nan 0.000 0.452 70 F N -0.204 119.744 119.950 -0.003 0.000 2.542 70 F HA 0.297 4.825 4.527 0.001 0.000 0.323 70 F C -1.573 174.203 175.800 -0.040 0.000 1.411 70 F CA -1.617 56.371 58.000 -0.020 0.000 1.124 70 F CB 0.385 39.371 39.000 -0.023 0.000 1.331 70 F HN -0.148 nan 8.300 nan 0.000 0.560 71 P HA -0.108 nan 4.420 nan 0.000 0.226 71 P C 1.334 178.641 177.300 0.011 0.000 1.153 71 P CA 1.224 64.341 63.100 0.028 0.000 0.777 71 P CB -0.021 31.685 31.700 0.010 0.000 0.794 72 T N -4.317 110.252 114.554 0.026 0.000 3.107 72 T HA 0.158 4.508 4.350 0.001 0.000 0.249 72 T C 1.415 176.098 174.700 -0.028 0.000 1.096 72 T CA 0.045 62.151 62.100 0.009 0.000 1.012 72 T CB -0.562 68.323 68.868 0.029 0.000 0.977 72 T HN -0.153 nan 8.240 nan 0.000 0.527 73 V N 1.374 121.249 119.914 -0.065 0.000 3.064 73 V HA 0.158 4.279 4.120 0.001 0.000 0.215 73 V C 2.480 178.212 176.094 -0.604 0.000 1.167 73 V CA 0.615 62.800 62.300 -0.192 0.000 1.286 73 V CB -0.453 31.309 31.823 -0.100 0.000 1.103 73 V HN 0.313 nan 8.190 nan 0.000 0.510 74 E N 0.813 120.594 120.200 -0.698 0.000 2.110 74 E HA -0.174 4.176 4.350 0.001 0.000 0.193 74 E C -0.642 175.585 176.600 -0.622 0.000 0.988 74 E CA 1.709 57.436 56.400 -1.123 0.000 0.804 74 E CB -1.119 28.304 29.700 -0.462 0.000 0.745 74 E HN 0.523 nan 8.360 nan 0.000 0.458 75 P HA -0.122 nan 4.420 nan 0.000 0.221 75 P C 0.745 178.000 177.300 -0.074 0.000 1.145 75 P CA 1.106 64.141 63.100 -0.109 0.000 0.795 75 P CB 0.070 31.739 31.700 -0.051 0.000 0.775 76 N N -1.935 116.690 118.700 -0.126 0.000 2.336 76 N HA 0.032 4.772 4.740 0.001 0.000 0.189 76 N C -0.132 175.463 175.510 0.141 0.000 1.113 76 N CA -0.040 53.011 53.050 0.002 0.000 0.858 76 N CB -0.301 38.193 38.487 0.012 0.000 0.970 76 N HN -0.128 nan 8.380 nan 0.000 0.471 77 F N 0.573 120.549 119.950 0.044 0.000 2.506 77 F HA 0.100 4.627 4.527 0.001 0.000 0.351 77 F C 2.027 177.857 175.800 0.049 0.000 1.136 77 F CA -0.591 57.432 58.000 0.039 0.000 1.298 77 F CB 0.145 39.165 39.000 0.033 0.000 1.145 77 F HN -0.084 nan 8.300 nan 0.000 0.593 78 S N 1.725 117.562 115.700 0.229 0.000 2.383 78 S HA -0.183 4.288 4.470 0.001 0.000 0.229 78 S C 2.108 176.802 174.600 0.155 0.000 1.030 78 S CA 1.187 59.475 58.200 0.147 0.000 1.002 78 S CB -0.329 62.928 63.200 0.094 0.000 0.829 78 S HN 0.713 nan 8.310 nan 0.000 0.467 79 A N 1.728 124.651 122.820 0.172 0.000 2.168 79 A HA 0.024 4.344 4.320 0.001 0.000 0.215 79 A C 1.458 179.192 177.584 0.251 0.000 1.152 79 A CA 0.807 52.948 52.037 0.173 0.000 0.716 79 A CB -0.203 18.869 19.000 0.120 0.000 0.794 79 A HN 0.388 nan 8.150 nan 0.000 0.465 80 N N 0.609 119.462 118.700 0.254 0.000 2.251 80 N HA 0.013 4.753 4.740 0.001 0.000 0.217 80 N C -0.210 175.377 175.510 0.129 0.000 1.124 80 N CA -0.127 53.064 53.050 0.236 0.000 0.843 80 N CB -0.208 38.396 38.487 0.195 0.000 1.024 80 N HN 0.365 nan 8.380 nan 0.000 0.501 81 N N 0.826 119.604 118.700 0.130 0.000 2.411 81 N HA 0.087 4.827 4.740 0.001 0.000 0.261 81 N C 1.338 176.887 175.510 0.066 0.000 1.248 81 N CA 1.529 54.633 53.050 0.091 0.000 0.885 81 N CB 0.261 38.804 38.487 0.094 0.000 1.062 81 N HN 0.404 nan 8.380 nan 0.000 0.471 82 G N 3.482 112.309 108.800 0.045 0.000 2.217 82 G HA2 -0.235 3.725 3.960 0.001 0.000 0.246 82 G HA3 -0.235 3.725 3.960 0.001 0.000 0.246 82 G C 0.960 175.865 174.900 0.008 0.000 0.990 82 G CA 0.230 45.348 45.100 0.030 0.000 0.627 82 G HN 0.546 nan 8.290 nan 0.000 0.522 83 I N 2.739 123.301 120.570 -0.013 0.000 2.614 83 I HA -0.063 4.108 4.170 0.001 0.000 0.258 83 I C 2.665 178.786 176.117 0.007 0.000 1.189 83 I CA 2.127 63.404 61.300 -0.037 0.000 1.462 83 I CB -0.966 36.991 38.000 -0.072 0.000 1.092 83 I HN 0.512 nan 8.210 nan 0.000 0.442 84 D N 1.252 121.663 120.400 0.019 0.000 2.133 84 D HA -0.281 4.359 4.640 0.001 0.000 0.192 84 D C 1.466 177.794 176.300 0.047 0.000 1.001 84 D CA 1.657 55.675 54.000 0.031 0.000 0.844 84 D CB -0.693 40.125 40.800 0.030 0.000 0.944 84 D HN 0.224 nan 8.370 nan 0.000 0.447 85 D N 0.100 120.529 120.400 0.049 0.000 2.117 85 D HA -0.136 4.505 4.640 0.001 0.000 0.197 85 D C 2.358 178.710 176.300 0.088 0.000 0.987 85 D CA 2.224 56.263 54.000 0.065 0.000 0.829 85 D CB -0.426 40.407 40.800 0.055 0.000 0.961 85 D HN 0.452 nan 8.370 nan 0.000 0.460 86 S N -0.040 115.708 115.700 0.080 0.000 2.368 86 S HA -0.116 4.354 4.470 0.001 0.000 0.224 86 S C 2.266 176.931 174.600 0.109 0.000 1.029 86 S CA 0.966 59.227 58.200 0.102 0.000 0.988 86 S CB -0.727 62.526 63.200 0.089 0.000 0.838 86 S HN 0.088 nan 8.310 nan 0.000 0.462 87 V N 3.446 123.411 119.914 0.085 0.000 2.295 87 V HA -0.187 3.934 4.120 0.001 0.000 0.246 87 V C 2.557 178.709 176.094 0.097 0.000 1.049 87 V CA 2.147 64.496 62.300 0.083 0.000 1.024 87 V CB -1.080 30.777 31.823 0.056 0.000 0.648 87 V HN 0.499 nan 8.190 nan 0.000 0.447 88 N N 0.568 119.328 118.700 0.100 0.000 2.223 88 N HA -0.125 4.615 4.740 0.001 0.000 0.185 88 N C 1.636 177.262 175.510 0.194 0.000 1.016 88 N CA 1.135 54.257 53.050 0.119 0.000 0.863 88 N CB -0.539 38.016 38.487 0.112 0.000 0.983 88 N HN 0.452 nan 8.380 nan 0.000 0.429 89 N N 0.550 119.392 118.700 0.236 0.000 2.270 89 N HA 0.045 4.785 4.740 0.001 0.000 0.181 89 N C 1.662 177.400 175.510 0.380 0.000 1.016 89 N CA 0.398 53.674 53.050 0.377 0.000 0.870 89 N CB -0.066 38.597 38.487 0.293 0.000 0.979 89 N HN 0.281 nan 8.380 nan 0.000 0.431 90 L N -0.055 121.321 121.223 0.255 0.000 2.307 90 L HA 0.141 4.482 4.340 0.001 0.000 0.211 90 L C 1.903 178.915 176.870 0.238 0.000 1.099 90 L CA 0.213 55.221 54.840 0.280 0.000 0.816 90 L CB -0.132 42.019 42.059 0.153 0.000 0.952 90 L HN 0.065 nan 8.230 nan 0.000 0.455 91 I N 0.800 121.441 120.570 0.119 0.000 2.194 91 I HA -0.246 3.924 4.170 0.001 0.000 0.246 91 I C -0.378 175.718 176.117 -0.035 0.000 1.093 91 I CA 1.699 63.021 61.300 0.037 0.000 1.355 91 I CB -1.238 36.765 38.000 0.006 0.000 1.046 91 I HN 0.215 nan 8.210 nan 0.000 0.413 92 P HA -0.150 nan 4.420 nan 0.000 0.218 92 P C 1.495 178.592 177.300 -0.339 0.000 1.149 92 P CA 1.538 64.407 63.100 -0.385 0.000 0.817 92 P CB -0.082 31.134 31.700 -0.807 0.000 0.785 93 F N -1.497 118.407 119.950 -0.076 0.000 2.206 93 F HA -0.040 4.488 4.527 0.001 0.000 0.298 93 F C 2.612 178.456 175.800 0.074 0.000 1.090 93 F CA 1.061 59.095 58.000 0.056 0.000 1.323 93 F CB -1.006 38.009 39.000 0.025 0.000 1.028 93 F HN -0.164 nan 8.300 nan 0.000 0.492 94 M N 0.145 119.855 119.600 0.182 0.000 2.108 94 M HA -0.295 4.186 4.480 0.001 0.000 0.261 94 M C 2.061 178.380 176.300 0.033 0.000 1.066 94 M CA 1.933 57.292 55.300 0.099 0.000 1.107 94 M CB -0.232 32.407 32.600 0.065 0.000 1.356 94 M HN 0.215 nan 8.290 nan 0.000 0.406 95 Q N -0.332 119.454 119.800 -0.024 0.000 2.123 95 Q HA -0.183 4.158 4.340 0.001 0.000 0.199 95 Q C 2.058 178.003 176.000 -0.093 0.000 0.966 95 Q CA 1.526 57.288 55.803 -0.068 0.000 0.845 95 Q CB -0.088 28.587 28.738 -0.106 0.000 0.907 95 Q HN 0.558 nan 8.270 nan 0.000 0.439 96 K N 0.164 120.493 120.400 -0.117 0.000 2.044 96 K HA -0.052 4.269 4.320 0.001 0.000 0.204 96 K C 0.561 177.003 176.600 -0.264 0.000 1.045 96 K CA 0.597 56.751 56.287 -0.221 0.000 0.951 96 K CB 0.286 32.603 32.500 -0.306 0.000 0.738 96 K HN 0.213 nan 8.250 nan 0.000 0.443 97 H N 2.067 121.111 119.070 -0.044 0.000 2.799 97 H HA 0.032 4.588 4.556 0.001 0.000 0.225 97 H C -0.140 175.146 175.328 -0.071 0.000 1.904 97 H CA -0.043 55.974 56.048 -0.052 0.000 1.344 97 H CB -0.183 29.564 29.762 -0.025 0.000 1.744 97 H HN 0.385 nan 8.280 nan 0.000 0.542 98 N N 0.154 118.835 118.700 -0.030 0.000 2.322 98 N HA -0.082 4.658 4.740 0.001 0.000 0.216 98 N C 1.117 176.605 175.510 -0.037 0.000 1.144 98 N CA -0.003 53.029 53.050 -0.031 0.000 0.830 98 N CB -0.095 38.362 38.487 -0.050 0.000 1.034 98 N HN 0.296 nan 8.380 nan 0.000 0.484 99 T N -3.079 111.445 114.554 -0.050 0.000 3.040 99 T HA 0.340 4.691 4.350 0.001 0.000 0.250 99 T C 0.521 175.173 174.700 -0.080 0.000 1.058 99 T CA -0.242 61.821 62.100 -0.061 0.000 0.988 99 T CB -0.051 68.775 68.868 -0.071 0.000 0.993 99 T HN 0.113 nan 8.240 nan 0.000 0.519 100 I N 3.345 123.858 120.570 -0.094 0.000 2.362 100 I HA 0.351 4.521 4.170 0.001 0.000 0.289 100 I C 0.483 176.607 176.117 0.013 0.000 0.994 100 I CA -1.006 60.230 61.300 -0.106 0.000 1.158 100 I CB 1.855 39.673 38.000 -0.302 0.000 1.315 100 I HN 0.244 nan 8.210 nan 0.000 0.451 101 S N 4.690 120.430 115.700 0.066 0.000 2.573 101 S HA 0.191 4.662 4.470 0.001 0.000 0.277 101 S C 1.349 176.014 174.600 0.109 0.000 1.346 101 S CA -0.057 58.192 58.200 0.082 0.000 1.034 101 S CB 1.451 64.706 63.200 0.091 0.000 0.879 101 S HN 0.753 nan 8.310 nan 0.000 0.528 102 A N 2.771 125.647 122.820 0.094 0.000 1.917 102 A HA 0.041 4.361 4.320 0.001 0.000 0.219 102 A C 2.448 180.118 177.584 0.142 0.000 1.182 102 A CA 2.082 54.184 52.037 0.107 0.000 0.633 102 A CB -1.720 17.330 19.000 0.083 0.000 0.819 102 A HN 1.422 nan 8.150 nan 0.000 0.448 103 A N -0.130 122.779 122.820 0.148 0.000 1.877 103 A HA -0.186 4.134 4.320 0.001 0.000 0.216 103 A C 1.794 179.502 177.584 0.206 0.000 1.186 103 A CA 1.981 54.120 52.037 0.170 0.000 0.620 103 A CB -0.630 18.467 19.000 0.162 0.000 0.822 103 A HN 0.456 nan 8.150 nan 0.000 0.443 104 D N -0.538 120.003 120.400 0.234 0.000 2.144 104 D HA -0.112 4.528 4.640 0.001 0.000 0.200 104 D C 1.842 178.406 176.300 0.441 0.000 0.978 104 D CA 1.178 55.418 54.000 0.401 0.000 0.833 104 D CB -0.417 40.681 40.800 0.497 0.000 0.961 104 D HN 0.343 nan 8.370 nan 0.000 0.470 105 L N 0.569 121.976 121.223 0.306 0.000 2.012 105 L HA -0.177 4.163 4.340 0.001 0.000 0.210 105 L C 2.141 179.143 176.870 0.220 0.000 1.073 105 L CA 1.505 56.493 54.840 0.247 0.000 0.748 105 L CB -0.625 41.532 42.059 0.164 0.000 0.891 105 L HN -0.094 nan 8.230 nan 0.000 0.431 106 V N -0.249 119.784 119.914 0.197 0.000 2.255 106 V HA -0.305 3.815 4.120 0.001 0.000 0.247 106 V C 2.735 178.935 176.094 0.178 0.000 1.051 106 V CA 1.973 64.375 62.300 0.170 0.000 1.018 106 V CB -0.775 31.146 31.823 0.163 0.000 0.641 106 V HN 0.545 nan 8.190 nan 0.000 0.445 107 Q N -1.073 118.869 119.800 0.236 0.000 2.084 107 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 107 Q C 2.063 178.157 176.000 0.157 0.000 0.978 107 Q CA 1.870 57.822 55.803 0.248 0.000 0.844 107 Q CB -0.620 28.330 28.738 0.354 0.000 0.898 107 Q HN 0.695 nan 8.270 nan 0.000 0.426 108 F N 1.134 121.011 119.950 -0.122 0.000 2.134 108 F HA -0.186 4.341 4.527 0.001 0.000 0.299 108 F C 2.176 177.840 175.800 -0.225 0.000 1.097 108 F CA 1.311 58.981 58.000 -0.551 0.000 1.264 108 F CB -0.085 38.485 39.000 -0.717 0.000 1.001 108 F HN 0.078 nan 8.300 nan 0.000 0.479 109 A N 0.298 123.089 122.820 -0.048 0.000 1.908 109 A HA -0.117 4.204 4.320 0.001 0.000 0.218 109 A C 2.416 179.959 177.584 -0.068 0.000 1.181 109 A CA 1.751 53.765 52.037 -0.039 0.000 0.627 109 A CB -1.815 17.226 19.000 0.068 0.000 0.818 109 A HN 0.516 nan 8.150 nan 0.000 0.445 110 G N -0.638 108.137 108.800 -0.041 0.000 2.422 110 G HA2 0.021 3.981 3.960 0.001 0.000 0.218 110 G HA3 0.021 3.981 3.960 0.001 0.000 0.218 110 G C 1.735 176.547 174.900 -0.147 0.000 1.146 110 G CA 1.394 46.460 45.100 -0.057 0.000 0.769 110 G HN 0.798 nan 8.290 nan 0.000 0.547 111 A N 0.191 122.889 122.820 -0.202 0.000 1.902 111 A HA 0.050 4.370 4.320 0.001 0.000 0.217 111 A C 2.613 179.989 177.584 -0.348 0.000 1.181 111 A CA 1.880 53.768 52.037 -0.249 0.000 0.623 111 A CB -0.668 18.174 19.000 -0.264 0.000 0.818 111 A HN 0.256 nan 8.150 nan 0.000 0.443 112 V N -0.149 119.468 119.914 -0.495 0.000 2.295 112 V HA -0.250 3.870 4.120 0.001 0.000 0.246 112 V C 3.074 178.939 176.094 -0.382 0.000 1.049 112 V CA 1.964 64.015 62.300 -0.416 0.000 1.024 112 V CB -1.301 30.289 31.823 -0.388 0.000 0.648 112 V HN 0.627 nan 8.190 nan 0.000 0.447 113 A N -0.274 122.214 122.820 -0.554 0.000 1.883 113 A HA -0.206 4.114 4.320 0.001 0.000 0.217 113 A C 2.229 179.546 177.584 -0.445 0.000 1.186 113 A CA 2.019 53.537 52.037 -0.864 0.000 0.624 113 A CB -0.649 17.798 19.000 -0.921 0.000 0.822 113 A HN 0.492 nan 8.150 nan 0.000 0.444 114 L N 0.501 121.545 121.223 -0.297 0.000 2.079 114 L HA -0.201 4.139 4.340 0.001 0.000 0.210 114 L C 2.967 179.690 176.870 -0.245 0.000 1.081 114 L CA 1.579 56.278 54.840 -0.236 0.000 0.752 114 L CB -0.399 41.546 42.059 -0.190 0.000 0.896 114 L HN 0.639 nan 8.230 nan 0.000 0.433 115 S N -0.571 114.992 115.700 -0.229 0.000 2.469 115 S HA -0.145 4.325 4.470 0.001 0.000 0.238 115 S C 1.572 176.084 174.600 -0.146 0.000 0.998 115 S CA 1.181 59.274 58.200 -0.179 0.000 0.957 115 S CB -0.434 62.671 63.200 -0.160 0.000 0.764 115 S HN 0.448 nan 8.310 nan 0.000 0.514 116 N N 0.595 119.196 118.700 -0.165 0.000 2.461 116 N HA 0.133 4.873 4.740 0.001 0.000 0.188 116 N C -0.523 174.942 175.510 -0.074 0.000 1.134 116 N CA 0.213 53.193 53.050 -0.118 0.000 0.878 116 N CB -0.332 38.066 38.487 -0.148 0.000 0.972 116 N HN 0.426 nan 8.380 nan 0.000 0.456 117 c N 2.853 121.408 118.600 -0.076 0.000 2.223 117 c HA 0.348 4.918 4.570 0.001 0.000 0.324 117 c C -2.163 171.933 174.090 0.010 0.000 1.196 117 c CA -1.840 54.491 56.329 0.004 0.000 1.628 117 c CB 0.688 43.222 42.510 0.039 0.000 2.229 117 c HN 0.136 nan 8.230 nan 0.000 0.486 118 P HA 0.176 nan 4.420 nan 0.000 0.260 118 P C 1.025 178.364 177.300 0.065 0.000 1.172 118 P CA 1.936 65.055 63.100 0.032 0.000 0.760 118 P CB 0.251 31.974 31.700 0.038 0.000 0.773 119 G N 1.998 110.820 108.800 0.036 0.000 2.234 119 G HA2 -0.185 3.775 3.960 0.001 0.000 0.235 119 G HA3 -0.185 3.775 3.960 0.001 0.000 0.235 119 G C 0.467 175.386 174.900 0.032 0.000 0.997 119 G CA -0.022 45.120 45.100 0.070 0.000 0.623 119 G HN 0.838 nan 8.290 nan 0.000 0.514 120 A N 1.793 124.523 122.820 -0.150 0.000 2.425 120 A HA 0.669 4.990 4.320 0.001 0.000 0.242 120 A C -0.961 176.456 177.584 -0.278 0.000 1.077 120 A CA -0.166 51.523 52.037 -0.580 0.000 0.781 120 A CB 0.267 18.820 19.000 -0.746 0.000 1.020 120 A HN 0.336 nan 8.150 nan 0.000 0.494 121 P HA 0.181 nan 4.420 nan 0.000 0.274 121 P C -0.702 176.542 177.300 -0.094 0.000 1.246 121 P CA -0.513 62.535 63.100 -0.086 0.000 0.795 121 P CB 0.571 32.272 31.700 0.001 0.000 1.006 122 R N 1.814 122.285 120.500 -0.048 0.000 2.308 122 R HA 0.285 4.625 4.340 0.001 0.000 0.325 122 R C 0.124 176.415 176.300 -0.015 0.000 1.161 122 R CA -0.496 55.581 56.100 -0.039 0.000 1.022 122 R CB -0.655 29.634 30.300 -0.019 0.000 1.091 122 R HN 0.475 nan 8.270 nan 0.000 0.497 123 L N 2.810 124.020 121.223 -0.022 0.000 2.506 123 L HA 0.014 4.354 4.340 0.001 0.000 0.281 123 L C 0.969 177.867 176.870 0.048 0.000 1.228 123 L CA 0.458 55.299 54.840 0.002 0.000 0.850 123 L CB 0.338 42.395 42.059 -0.002 0.000 1.110 123 L HN 0.601 nan 8.230 nan 0.000 0.496 124 E N 1.915 122.142 120.200 0.044 0.000 2.442 124 E HA -0.025 4.325 4.350 0.001 0.000 0.262 124 E C -1.347 175.336 176.600 0.138 0.000 1.004 124 E CA -0.089 56.349 56.400 0.063 0.000 0.928 124 E CB 0.550 30.264 29.700 0.024 0.000 0.937 124 E HN 0.331 nan 8.360 nan 0.000 0.446 125 F N 6.300 126.239 119.950 -0.018 0.000 2.577 125 F HA 0.339 4.867 4.527 0.001 0.000 0.344 125 F C -1.568 174.184 175.800 -0.080 0.000 1.145 125 F CA -0.794 57.187 58.000 -0.031 0.000 0.996 125 F CB 0.556 39.566 39.000 0.016 0.000 1.248 125 F HN 0.306 nan 8.300 nan 0.000 0.447 126 L N 5.554 126.313 121.223 -0.773 0.000 2.343 126 L HA 0.888 5.228 4.340 0.001 0.000 0.275 126 L C 0.058 176.257 176.870 -1.117 0.000 1.056 126 L CA -0.927 53.475 54.840 -0.730 0.000 0.804 126 L CB 1.427 43.267 42.059 -0.365 0.000 1.203 126 L HN 0.714 nan 8.230 nan 0.000 0.440 127 A N 0.641 122.997 122.820 -0.775 0.000 2.386 127 A HA 0.825 5.145 4.320 0.001 0.000 0.308 127 A C 0.459 177.907 177.584 -0.227 0.000 1.128 127 A CA 0.109 51.838 52.037 -0.513 0.000 0.789 127 A CB 1.663 20.451 19.000 -0.354 0.000 1.325 127 A HN 0.975 nan 8.150 nan 0.000 0.437 128 G N -0.133 108.617 108.800 -0.083 0.000 2.159 128 G HA2 -0.143 3.817 3.960 0.001 0.000 0.170 128 G HA3 -0.143 3.817 3.960 0.001 0.000 0.170 128 G C 0.107 174.961 174.900 -0.076 0.000 1.007 128 G CA -0.065 45.002 45.100 -0.056 0.000 0.672 128 G HN 0.826 nan 8.290 nan 0.000 0.507 129 R N 0.945 121.368 120.500 -0.128 0.000 2.537 129 R HA 0.397 4.737 4.340 0.001 0.000 0.280 129 R C -2.130 174.183 176.300 0.022 0.000 1.058 129 R CA -1.215 54.783 56.100 -0.170 0.000 1.057 129 R CB 0.321 30.454 30.300 -0.278 0.000 0.973 129 R HN 0.136 nan 8.270 nan 0.000 0.438 130 P HA -0.023 nan 4.420 nan 0.000 0.271 130 P C -0.206 177.155 177.300 0.101 0.000 1.233 130 P CA -0.009 63.149 63.100 0.096 0.000 0.789 130 P CB 0.538 32.304 31.700 0.111 0.000 0.951 131 N N 0.033 118.779 118.700 0.077 0.000 2.276 131 N HA 0.034 4.774 4.740 0.001 0.000 0.212 131 N C -0.303 175.246 175.510 0.065 0.000 1.127 131 N CA 0.062 53.152 53.050 0.067 0.000 0.834 131 N CB -0.221 38.292 38.487 0.042 0.000 1.014 131 N HN 0.237 nan 8.380 nan 0.000 0.491 132 K N -0.770 119.682 120.400 0.087 0.000 2.427 132 K HA 0.517 4.838 4.320 0.001 0.000 0.252 132 K C -1.078 175.605 176.600 0.138 0.000 0.931 132 K CA -0.529 55.817 56.287 0.097 0.000 0.793 132 K CB 1.861 34.406 32.500 0.075 0.000 1.211 132 K HN -0.058 nan 8.250 nan 0.000 0.426 133 T N 2.274 116.951 114.554 0.205 0.000 2.630 133 T HA 0.502 4.852 4.350 0.001 0.000 0.300 133 T C -1.508 173.360 174.700 0.281 0.000 1.261 133 T CA -0.713 61.513 62.100 0.211 0.000 1.060 133 T CB 0.511 69.496 68.868 0.195 0.000 1.670 133 T HN 0.656 nan 8.240 nan 0.000 0.473 134 I N -0.111 120.511 120.570 0.087 0.000 2.957 134 I HA 0.937 5.107 4.170 0.001 0.000 0.310 134 I C -0.057 175.705 176.117 -0.592 0.000 1.063 134 I CA -1.560 59.581 61.300 -0.265 0.000 1.033 134 I CB 1.819 39.719 38.000 -0.166 0.000 1.230 134 I HN 0.694 nan 8.210 nan 0.000 0.447 135 A N 2.859 124.992 122.820 -1.145 0.000 2.440 135 A HA 0.696 5.017 4.320 0.001 0.000 0.251 135 A C 0.484 177.918 177.584 -0.251 0.000 1.089 135 A CA 0.019 51.644 52.037 -0.686 0.000 0.779 135 A CB 0.085 18.688 19.000 -0.661 0.000 1.022 135 A HN 1.102 nan 8.150 nan 0.000 0.492 136 A N 1.685 124.452 122.820 -0.087 0.000 2.346 136 A HA 0.531 4.851 4.320 0.001 0.000 0.252 136 A C 0.697 178.367 177.584 0.144 0.000 1.089 136 A CA 0.229 52.278 52.037 0.021 0.000 0.797 136 A CB -0.127 18.907 19.000 0.057 0.000 1.047 136 A HN 2.120 nan 8.150 nan 0.000 0.494 137 V N -0.798 119.178 119.914 0.103 0.000 3.036 137 V HA 0.439 4.559 4.120 0.001 0.000 0.308 137 V C 0.252 176.332 176.094 -0.024 0.000 1.070 137 V CA -0.811 61.528 62.300 0.064 0.000 1.056 137 V CB 0.964 32.769 31.823 -0.030 0.000 1.084 137 V HN 0.836 nan 8.190 nan 0.000 0.471 138 D N 0.951 121.068 120.400 -0.473 0.000 2.360 138 D HA 0.468 5.109 4.640 0.001 0.000 0.242 138 D C 1.184 177.287 176.300 -0.329 0.000 1.184 138 D CA 1.330 54.823 54.000 -0.845 0.000 0.930 138 D CB 1.116 41.182 40.800 -1.224 0.000 1.161 138 D HN 1.474 nan 8.370 nan 0.000 0.447 139 G N 0.913 109.567 108.800 -0.243 0.000 2.175 139 G HA2 -0.227 3.733 3.960 0.001 0.000 0.244 139 G HA3 -0.227 3.733 3.960 0.001 0.000 0.244 139 G C 1.076 175.921 174.900 -0.091 0.000 0.982 139 G CA 0.476 45.495 45.100 -0.134 0.000 0.641 139 G HN 0.460 nan 8.290 nan 0.000 0.527 140 L N 0.429 121.601 121.223 -0.085 0.000 2.529 140 L HA 0.357 4.697 4.340 0.001 0.000 0.223 140 L C 0.707 177.480 176.870 -0.161 0.000 1.113 140 L CA -0.024 54.756 54.840 -0.099 0.000 0.861 140 L CB 0.039 42.052 42.059 -0.077 0.000 1.012 140 L HN 0.125 nan 8.230 nan 0.000 0.461 141 I N 1.283 121.763 120.570 -0.149 0.000 2.315 141 I HA 0.306 4.476 4.170 0.001 0.000 0.291 141 I C -2.062 173.981 176.117 -0.123 0.000 1.006 141 I CA -2.641 58.511 61.300 -0.246 0.000 1.265 141 I CB 0.555 38.411 38.000 -0.240 0.000 1.387 141 I HN -0.248 nan 8.210 nan 0.000 0.475 142 P HA 0.161 nan 4.420 nan 0.000 0.267 142 P C -0.518 176.846 177.300 0.107 0.000 1.200 142 P CA 0.044 63.185 63.100 0.068 0.000 0.772 142 P CB 0.789 32.615 31.700 0.210 0.000 0.855 143 E N 3.191 123.455 120.200 0.108 0.000 2.277 143 E HA 0.214 4.565 4.350 0.001 0.000 0.266 143 E C -1.719 174.950 176.600 0.115 0.000 0.901 143 E CA -1.926 54.544 56.400 0.117 0.000 0.782 143 E CB 1.559 31.310 29.700 0.085 0.000 1.228 143 E HN 0.302 nan 8.360 nan 0.000 0.424 144 P HA -0.197 nan 4.420 nan 0.000 0.223 144 P C 0.966 178.305 177.300 0.067 0.000 1.151 144 P CA 1.146 64.299 63.100 0.089 0.000 0.787 144 P CB 0.336 32.082 31.700 0.076 0.000 0.788 145 Q N -0.553 119.285 119.800 0.064 0.000 2.451 145 Q HA 0.007 4.347 4.340 0.001 0.000 0.206 145 Q C -0.190 175.842 176.000 0.054 0.000 0.947 145 Q CA 0.597 56.431 55.803 0.052 0.000 0.937 145 Q CB -0.737 28.027 28.738 0.044 0.000 1.025 145 Q HN 0.189 nan 8.270 nan 0.000 0.511 146 D N 2.804 123.242 120.400 0.063 0.000 2.362 146 D HA 0.072 4.712 4.640 0.001 0.000 0.242 146 D C 0.122 176.459 176.300 0.062 0.000 1.132 146 D CA 0.176 54.213 54.000 0.062 0.000 0.907 146 D CB 1.112 41.957 40.800 0.075 0.000 1.195 146 D HN 0.288 nan 8.370 nan 0.000 0.429 147 S N -0.030 115.703 115.700 0.056 0.000 2.600 147 S HA 0.105 4.575 4.470 0.001 0.000 0.265 147 S C 1.350 175.985 174.600 0.057 0.000 1.325 147 S CA -0.869 57.361 58.200 0.052 0.000 1.002 147 S CB 1.005 64.232 63.200 0.044 0.000 0.921 147 S HN 0.210 nan 8.310 nan 0.000 0.554 148 V N 2.040 121.980 119.914 0.044 0.000 2.343 148 V HA -0.166 3.954 4.120 0.001 0.000 0.247 148 V C 2.782 178.910 176.094 0.057 0.000 1.051 148 V CA 2.468 64.794 62.300 0.044 0.000 1.036 148 V CB -1.629 30.205 31.823 0.019 0.000 0.654 148 V HN 1.053 nan 8.190 nan 0.000 0.451 149 T N -0.442 114.142 114.554 0.051 0.000 2.684 149 T HA -0.288 4.063 4.350 0.001 0.000 0.267 149 T C 1.966 176.708 174.700 0.070 0.000 1.036 149 T CA 2.077 64.211 62.100 0.055 0.000 1.148 149 T CB -0.212 68.682 68.868 0.043 0.000 0.863 149 T HN 0.479 nan 8.240 nan 0.000 0.436 150 K N 0.521 120.963 120.400 0.069 0.000 2.057 150 K HA -0.014 4.306 4.320 0.001 0.000 0.206 150 K C 2.265 178.932 176.600 0.111 0.000 1.050 150 K CA 1.136 57.468 56.287 0.075 0.000 0.935 150 K CB -0.281 32.255 32.500 0.060 0.000 0.715 150 K HN 0.301 nan 8.250 nan 0.000 0.439 151 I N 1.271 121.922 120.570 0.135 0.000 2.142 151 I HA -0.326 3.845 4.170 0.001 0.000 0.240 151 I C 2.242 178.538 176.117 0.298 0.000 1.078 151 I CA 1.250 62.685 61.300 0.226 0.000 1.343 151 I CB -0.257 37.861 38.000 0.198 0.000 1.046 151 I HN 0.184 nan 8.210 nan 0.000 0.405 152 L N -0.001 121.335 121.223 0.189 0.000 2.046 152 L HA -0.240 4.101 4.340 0.001 0.000 0.208 152 L C 2.711 179.708 176.870 0.212 0.000 1.077 152 L CA 1.234 56.183 54.840 0.182 0.000 0.747 152 L CB -0.728 41.395 42.059 0.108 0.000 0.896 152 L HN 0.395 nan 8.230 nan 0.000 0.432 153 Q N 0.660 120.555 119.800 0.158 0.000 2.124 153 Q HA -0.245 4.095 4.340 0.001 0.000 0.202 153 Q C 2.270 178.357 176.000 0.145 0.000 0.977 153 Q CA 1.579 57.460 55.803 0.131 0.000 0.850 153 Q CB 0.003 28.793 28.738 0.087 0.000 0.901 153 Q HN 0.274 nan 8.270 nan 0.000 0.429 154 R N -0.391 120.198 120.500 0.148 0.000 2.073 154 R HA -0.103 4.238 4.340 0.001 0.000 0.234 154 R C 2.141 178.501 176.300 0.101 0.000 1.134 154 R CA 1.717 57.865 56.100 0.080 0.000 0.952 154 R CB -0.828 29.483 30.300 0.020 0.000 0.850 154 R HN 0.245 nan 8.270 nan 0.000 0.433 155 F N 0.677 120.709 119.950 0.138 0.000 2.186 155 F HA -0.048 4.480 4.527 0.001 0.000 0.299 155 F C 2.417 178.403 175.800 0.311 0.000 1.090 155 F CA 1.750 59.888 58.000 0.230 0.000 1.307 155 F CB -0.305 38.786 39.000 0.150 0.000 1.019 155 F HN 0.262 nan 8.300 nan 0.000 0.489 156 E N 0.382 120.803 120.200 0.368 0.000 2.051 156 E HA -0.291 4.059 4.350 0.001 0.000 0.192 156 E C 1.739 178.435 176.600 0.160 0.000 0.991 156 E CA 1.710 58.250 56.400 0.234 0.000 0.799 156 E CB -0.193 29.605 29.700 0.163 0.000 0.748 156 E HN 0.359 nan 8.360 nan 0.000 0.449 157 D N -0.375 120.105 120.400 0.133 0.000 2.178 157 D HA -0.074 4.566 4.640 0.001 0.000 0.202 157 D C 1.762 178.108 176.300 0.076 0.000 0.974 157 D CA 1.353 55.400 54.000 0.079 0.000 0.841 157 D CB -0.044 40.788 40.800 0.053 0.000 0.953 157 D HN 0.280 nan 8.370 nan 0.000 0.478 158 A N -0.600 122.289 122.820 0.116 0.000 1.897 158 A HA 0.255 4.575 4.320 0.001 0.000 0.215 158 A C 2.001 179.664 177.584 0.131 0.000 1.181 158 A CA 1.586 53.692 52.037 0.115 0.000 0.620 158 A CB -0.277 18.794 19.000 0.119 0.000 0.821 158 A HN 0.364 nan 8.150 nan 0.000 0.443 159 G N -3.485 105.399 108.800 0.141 0.000 4.818 159 G HA2 0.448 4.408 3.960 0.001 0.000 0.253 159 G HA3 0.448 4.408 3.960 0.001 0.000 0.253 159 G C 0.879 175.597 174.900 -0.303 0.000 0.986 159 G CA 0.717 45.744 45.100 -0.121 0.000 0.785 159 G HN 1.597 nan 8.290 nan 0.000 0.325 160 G N 0.173 108.924 108.800 -0.080 0.000 2.179 160 G HA2 -0.302 3.658 3.960 0.001 0.000 0.257 160 G HA3 -0.302 3.658 3.960 0.001 0.000 0.257 160 G C 0.261 175.123 174.900 -0.063 0.000 1.010 160 G CA 0.027 45.089 45.100 -0.064 0.000 0.736 160 G HN 0.490 nan 8.290 nan 0.000 0.513 161 F N 1.771 121.807 119.950 0.144 0.000 2.529 161 F HA 0.411 4.938 4.527 0.001 0.000 0.365 161 F C 1.744 177.609 175.800 0.109 0.000 1.102 161 F CA 0.632 58.717 58.000 0.142 0.000 1.271 161 F CB 0.641 39.767 39.000 0.211 0.000 1.120 161 F HN 0.219 nan 8.300 nan 0.000 0.579 162 T N 0.735 115.446 114.554 0.261 0.000 2.849 162 T HA 0.227 4.578 4.350 0.001 0.000 0.284 162 T C -1.932 172.866 174.700 0.163 0.000 1.004 162 T CA -1.763 60.451 62.100 0.190 0.000 1.021 162 T CB 1.416 70.393 68.868 0.180 0.000 1.013 162 T HN 0.272 nan 8.240 nan 0.000 0.527 163 P HA -0.042 nan 4.420 nan 0.000 0.216 163 P C 1.213 178.561 177.300 0.080 0.000 1.150 163 P CA 0.673 63.816 63.100 0.073 0.000 0.837 163 P CB -0.147 31.601 31.700 0.080 0.000 0.786 164 F N 1.165 121.128 119.950 0.021 0.000 2.095 164 F HA -0.193 4.334 4.527 0.000 0.000 0.298 164 F C 1.960 177.785 175.800 0.041 0.000 1.104 164 F CA 1.691 59.704 58.000 0.023 0.000 1.232 164 F CB -0.560 38.458 39.000 0.030 0.000 0.987 164 F HN -0.077 nan 8.300 nan 0.000 0.475 165 E N -0.371 119.898 120.200 0.114 0.000 2.110 165 E HA -0.170 4.181 4.350 0.001 0.000 0.193 165 E C 2.305 178.794 176.600 -0.184 0.000 0.988 165 E CA 1.417 57.835 56.400 0.029 0.000 0.804 165 E CB -0.292 29.590 29.700 0.303 0.000 0.745 165 E HN 0.307 nan 8.360 nan 0.000 0.458 166 V N 0.862 120.615 119.914 -0.268 0.000 2.261 166 V HA -0.245 3.876 4.120 0.001 0.000 0.246 166 V C 2.320 178.166 176.094 -0.414 0.000 1.047 166 V CA 1.481 63.418 62.300 -0.605 0.000 1.015 166 V CB -0.437 30.975 31.823 -0.685 0.000 0.642 166 V HN 0.143 nan 8.190 nan 0.000 0.446 167 V N -0.109 119.667 119.914 -0.229 0.000 2.515 167 V HA -0.219 3.902 4.120 0.001 0.000 0.250 167 V C 2.550 178.569 176.094 -0.126 0.000 1.058 167 V CA 2.078 64.330 62.300 -0.080 0.000 1.064 167 V CB -0.681 31.169 31.823 0.047 0.000 0.675 167 V HN 0.546 nan 8.190 nan 0.000 0.461 168 S N 0.272 115.804 115.700 -0.281 0.000 2.370 168 S HA -0.164 4.306 4.470 0.001 0.000 0.226 168 S C 1.906 176.420 174.600 -0.144 0.000 1.033 168 S CA 1.581 59.550 58.200 -0.385 0.000 1.011 168 S CB -0.396 62.550 63.200 -0.424 0.000 0.852 168 S HN 0.488 nan 8.310 nan 0.000 0.457 169 L N 0.862 121.990 121.223 -0.158 0.000 2.191 169 L HA -0.027 4.314 4.340 0.001 0.000 0.212 169 L C 1.848 178.692 176.870 -0.043 0.000 1.103 169 L CA 0.802 55.609 54.840 -0.056 0.000 0.769 169 L CB -0.438 41.447 42.059 -0.290 0.000 0.908 169 L HN 0.285 nan 8.230 nan 0.000 0.438 170 L N -0.508 120.586 121.223 -0.214 0.000 2.622 170 L HA -0.075 4.265 4.340 0.001 0.000 0.233 170 L C 2.599 179.260 176.870 -0.348 0.000 1.156 170 L CA 0.235 54.867 54.840 -0.347 0.000 0.866 170 L CB -0.543 41.331 42.059 -0.309 0.000 0.980 170 L HN 0.209 nan 8.230 nan 0.000 0.448 171 A N 0.244 122.919 122.820 -0.242 0.000 2.024 171 A HA -0.236 4.084 4.320 0.001 0.000 0.220 171 A C 2.509 179.680 177.584 -0.688 0.000 1.164 171 A CA 1.821 53.565 52.037 -0.489 0.000 0.643 171 A CB -0.537 18.120 19.000 -0.571 0.000 0.806 171 A HN 0.551 nan 8.150 nan 0.000 0.451 172 S N -0.623 114.863 115.700 -0.356 0.000 2.440 172 S HA -0.244 4.227 4.470 0.001 0.000 0.238 172 S C 1.482 176.063 174.600 -0.032 0.000 1.010 172 S CA 1.395 59.517 58.200 -0.130 0.000 0.972 172 S CB -1.083 62.197 63.200 0.133 0.000 0.774 172 S HN 0.802 nan 8.310 nan 0.000 0.501 173 H N 0.440 119.373 119.070 -0.229 0.000 2.563 173 H HA 0.165 4.721 4.556 0.001 0.000 0.272 173 H C 2.056 177.244 175.328 -0.234 0.000 1.005 173 H CA 0.492 56.479 56.048 -0.101 0.000 1.171 173 H CB 0.045 29.799 29.762 -0.014 0.000 1.351 173 H HN 0.504 nan 8.280 nan 0.000 0.602 174 S N 0.886 116.382 115.700 -0.341 0.000 2.481 174 S HA -0.065 4.406 4.470 0.001 0.000 0.231 174 S C 1.149 175.550 174.600 -0.332 0.000 0.996 174 S CA 0.737 58.689 58.200 -0.413 0.000 0.942 174 S CB -0.002 62.794 63.200 -0.673 0.000 0.768 174 S HN 0.323 nan 8.310 nan 0.000 0.520 175 V N -1.001 118.729 119.914 -0.306 0.000 2.562 175 V HA 0.892 5.012 4.120 0.001 0.000 0.274 175 V C -0.476 175.163 176.094 -0.760 0.000 1.075 175 V CA -0.297 61.792 62.300 -0.352 0.000 1.204 175 V CB -0.085 31.714 31.823 -0.040 0.000 1.478 175 V HN 0.300 nan 8.190 nan 0.000 0.622 176 A N 2.115 124.501 122.820 -0.723 0.000 2.547 176 A HA 0.966 5.286 4.320 0.001 0.000 0.297 176 A C -0.556 176.453 177.584 -0.958 0.000 1.056 176 A CA -0.875 50.706 52.037 -0.760 0.000 0.688 176 A CB 2.085 20.813 19.000 -0.453 0.000 1.282 176 A HN 0.604 nan 8.150 nan 0.000 0.400 177 R N 0.166 120.151 120.500 -0.857 0.000 2.855 177 R HA 0.839 5.179 4.340 0.001 0.000 0.266 177 R C -0.768 175.148 176.300 -0.641 0.000 1.034 177 R CA -0.781 54.836 56.100 -0.804 0.000 0.944 177 R CB 2.483 32.574 30.300 -0.348 0.000 1.219 177 R HN 1.024 nan 8.270 nan 0.000 0.474 178 A N 0.543 123.114 122.820 -0.415 0.000 2.343 178 A HA 0.421 4.741 4.320 0.001 0.000 0.316 178 A C -0.685 176.888 177.584 -0.018 0.000 1.104 178 A CA -0.636 51.333 52.037 -0.112 0.000 0.768 178 A CB 0.965 20.029 19.000 0.105 0.000 1.213 178 A HN 0.750 nan 8.150 nan 0.000 0.456 179 D N 0.813 121.223 120.400 0.016 0.000 2.423 179 D HA 0.055 4.695 4.640 0.001 0.000 0.212 179 D C 0.979 177.308 176.300 0.049 0.000 1.060 179 D CA 0.686 54.706 54.000 0.035 0.000 0.872 179 D CB 0.537 41.359 40.800 0.036 0.000 1.012 179 D HN 0.445 nan 8.370 nan 0.000 0.503 180 K N 0.352 120.789 120.400 0.063 0.000 2.370 180 K HA 0.179 4.499 4.320 0.001 0.000 0.194 180 K C 2.017 178.661 176.600 0.073 0.000 1.070 180 K CA 0.095 56.422 56.287 0.066 0.000 0.998 180 K CB 0.332 32.875 32.500 0.073 0.000 0.911 180 K HN -0.023 nan 8.250 nan 0.000 0.533 181 V N 1.873 121.842 119.914 0.091 0.000 2.295 181 V HA -0.156 3.965 4.120 0.001 0.000 0.246 181 V C 0.987 177.121 176.094 0.067 0.000 1.049 181 V CA 1.573 63.928 62.300 0.092 0.000 1.024 181 V CB -0.174 31.724 31.823 0.125 0.000 0.648 181 V HN 0.318 nan 8.190 nan 0.000 0.447 182 D N -0.431 120.007 120.400 0.064 0.000 2.425 182 D HA 0.150 4.791 4.640 0.001 0.000 0.240 182 D C 1.103 177.425 176.300 0.036 0.000 1.080 182 D CA -0.396 53.631 54.000 0.045 0.000 0.836 182 D CB 1.754 42.585 40.800 0.051 0.000 1.125 182 D HN 0.399 nan 8.370 nan 0.000 0.525 183 Q N 1.793 121.609 119.800 0.026 0.000 2.291 183 Q HA -0.138 4.203 4.340 0.001 0.000 0.206 183 Q C 1.370 177.381 176.000 0.018 0.000 0.976 183 Q CA 1.347 57.163 55.803 0.022 0.000 0.875 183 Q CB -0.509 28.238 28.738 0.016 0.000 0.927 183 Q HN 0.497 nan 8.270 nan 0.000 0.450 184 T N -1.168 113.395 114.554 0.015 0.000 3.057 184 T HA 0.262 4.613 4.350 0.001 0.000 0.254 184 T C 1.092 175.800 174.700 0.013 0.000 1.094 184 T CA -0.008 62.098 62.100 0.011 0.000 1.088 184 T CB -0.304 68.568 68.868 0.006 0.000 0.934 184 T HN 0.423 nan 8.240 nan 0.000 0.497 185 I N -2.035 118.548 120.570 0.021 0.000 2.828 185 I HA 0.802 4.972 4.170 0.001 0.000 0.302 185 I C -1.831 174.301 176.117 0.026 0.000 1.101 185 I CA -1.313 59.999 61.300 0.020 0.000 1.031 185 I CB 2.297 40.315 38.000 0.029 0.000 1.231 185 I HN -0.279 nan 8.210 nan 0.000 0.427 186 D N 3.193 123.606 120.400 0.022 0.000 2.342 186 D HA 0.613 5.254 4.640 0.001 0.000 0.243 186 D C 0.138 176.473 176.300 0.059 0.000 1.019 186 D CA 0.466 54.489 54.000 0.039 0.000 0.864 186 D CB 2.016 42.840 40.800 0.040 0.000 1.315 186 D HN 1.059 nan 8.370 nan 0.000 0.468 187 A N 0.915 123.772 122.820 0.061 0.000 2.739 187 A HA 0.003 4.323 4.320 0.001 0.000 0.296 187 A C 0.363 177.957 177.584 0.017 0.000 1.488 187 A CA 0.665 52.742 52.037 0.066 0.000 0.746 187 A CB -1.940 17.198 19.000 0.230 0.000 1.047 187 A HN 0.716 nan 8.150 nan 0.000 0.477 188 A N 1.214 124.015 122.820 -0.032 0.000 2.350 188 A HA 0.630 4.950 4.320 0.001 0.000 0.293 188 A C -1.380 176.111 177.584 -0.155 0.000 1.231 188 A CA -0.930 51.088 52.037 -0.032 0.000 0.883 188 A CB 0.139 19.160 19.000 0.035 0.000 1.133 188 A HN 0.543 nan 8.150 nan 0.000 0.533 189 P HA 0.217 nan 4.420 nan 0.000 0.277 189 P C -0.117 177.112 177.300 -0.117 0.000 1.240 189 P CA -0.261 62.669 63.100 -0.283 0.000 0.798 189 P CB 0.586 32.150 31.700 -0.226 0.000 0.979 190 F N 0.175 120.013 119.950 -0.188 0.000 2.664 190 F HA 0.091 4.618 4.527 0.000 0.000 0.296 190 F C 1.236 176.951 175.800 -0.143 0.000 1.125 190 F CA 0.271 58.172 58.000 -0.165 0.000 1.444 190 F CB -0.520 38.346 39.000 -0.224 0.000 1.114 190 F HN 0.300 nan 8.300 nan 0.000 0.576 191 D N -2.438 117.949 120.400 -0.021 0.000 2.592 191 D HA 0.159 4.799 4.640 0.001 0.000 0.263 191 D C 0.610 176.853 176.300 -0.095 0.000 1.132 191 D CA -0.252 53.712 54.000 -0.060 0.000 0.996 191 D CB 0.724 41.465 40.800 -0.099 0.000 1.442 191 D HN -0.154 nan 8.370 nan 0.000 0.486 192 S N -1.552 114.105 115.700 -0.071 0.000 2.607 192 S HA 0.066 4.536 4.470 0.001 0.000 0.224 192 S C 0.691 175.236 174.600 -0.092 0.000 0.969 192 S CA 0.667 58.829 58.200 -0.064 0.000 0.927 192 S CB -1.019 62.168 63.200 -0.023 0.000 0.772 192 S HN 0.753 nan 8.310 nan 0.000 0.533 193 T N -1.198 113.274 114.554 -0.136 0.000 3.658 193 T HA 0.428 4.779 4.350 0.001 0.000 0.245 193 T C -2.270 172.280 174.700 -0.250 0.000 1.292 193 T CA -1.258 60.757 62.100 -0.143 0.000 1.598 193 T CB 1.385 70.207 68.868 -0.076 0.000 0.861 193 T HN 0.046 nan 8.240 nan 0.000 0.663 194 P HA 0.116 nan 4.420 nan 0.000 0.242 194 P C 0.240 177.248 177.300 -0.487 0.000 1.197 194 P CA 0.145 62.907 63.100 -0.564 0.000 0.765 194 P CB -0.275 31.005 31.700 -0.700 0.000 0.936 195 F N -0.461 119.519 119.950 0.050 0.000 2.664 195 F HA 0.256 4.783 4.527 0.001 0.000 0.303 195 F C 0.699 176.523 175.800 0.041 0.000 1.092 195 F CA -0.024 58.016 58.000 0.066 0.000 1.305 195 F CB -0.514 38.490 39.000 0.007 0.000 1.054 195 F HN -0.260 nan 8.300 nan 0.000 0.565 196 T N 0.214 114.822 114.554 0.091 0.000 2.841 196 T HA 0.250 4.600 4.350 0.001 0.000 0.285 196 T C -0.896 173.822 174.700 0.029 0.000 0.991 196 T CA -0.364 61.777 62.100 0.069 0.000 0.966 196 T CB 1.279 70.166 68.868 0.032 0.000 0.962 196 T HN -0.033 nan 8.240 nan 0.000 0.438 197 F N 5.457 125.355 119.950 -0.088 0.000 2.626 197 F HA 0.255 4.782 4.527 0.001 0.000 0.353 197 F C 0.309 176.028 175.800 -0.136 0.000 1.230 197 F CA -0.747 57.162 58.000 -0.152 0.000 1.298 197 F CB -0.426 38.464 39.000 -0.183 0.000 1.670 197 F HN 0.583 nan 8.300 nan 0.000 0.633 198 D N -0.811 119.468 120.400 -0.202 0.000 2.621 198 D HA 0.215 4.855 4.640 0.001 0.000 0.255 198 D C 0.778 176.947 176.300 -0.218 0.000 1.122 198 D CA -0.415 53.496 54.000 -0.149 0.000 1.096 198 D CB 0.486 41.238 40.800 -0.079 0.000 1.282 198 D HN 0.073 nan 8.370 nan 0.000 0.619 199 T N -3.091 111.394 114.554 -0.114 0.000 3.163 199 T HA 0.000 4.350 4.350 0.001 0.000 0.252 199 T C 1.045 175.731 174.700 -0.022 0.000 1.056 199 T CA -0.106 61.976 62.100 -0.030 0.000 0.947 199 T CB -0.059 68.802 68.868 -0.013 0.000 1.016 199 T HN 0.189 nan 8.240 nan 0.000 0.554 200 Q N 0.889 120.633 119.800 -0.093 0.000 2.135 200 Q HA -0.051 4.289 4.340 0.001 0.000 0.204 200 Q C 2.400 178.347 176.000 -0.088 0.000 0.981 200 Q CA 1.112 56.867 55.803 -0.080 0.000 0.856 200 Q CB -0.952 27.736 28.738 -0.083 0.000 0.902 200 Q HN 0.527 nan 8.270 nan 0.000 0.425 201 V N 0.346 120.142 119.914 -0.197 0.000 2.392 201 V HA -0.257 3.863 4.120 0.001 0.000 0.249 201 V C 1.891 177.868 176.094 -0.194 0.000 1.059 201 V CA 1.583 63.739 62.300 -0.240 0.000 1.051 201 V CB -0.484 31.093 31.823 -0.410 0.000 0.658 201 V HN 0.215 nan 8.190 nan 0.000 0.455 202 F N -0.808 119.060 119.950 -0.136 0.000 2.146 202 F HA -0.115 4.412 4.527 0.001 0.000 0.298 202 F C 2.114 178.039 175.800 0.208 0.000 1.096 202 F CA 1.745 59.644 58.000 -0.168 0.000 1.275 202 F CB -0.655 38.047 39.000 -0.496 0.000 1.008 202 F HN 0.241 nan 8.300 nan 0.000 0.480 203 L N 0.725 122.087 121.223 0.231 0.000 1.994 203 L HA -0.176 4.164 4.340 0.001 0.000 0.208 203 L C 2.022 179.005 176.870 0.189 0.000 1.071 203 L CA 1.930 56.889 54.840 0.198 0.000 0.745 203 L CB -1.078 40.989 42.059 0.012 0.000 0.892 203 L HN 0.154 nan 8.230 nan 0.000 0.431 204 E N -1.085 119.189 120.200 0.124 0.000 2.150 204 E HA -0.134 4.216 4.350 0.001 0.000 0.193 204 E C 2.123 178.803 176.600 0.134 0.000 0.985 204 E CA 1.088 57.551 56.400 0.104 0.000 0.814 204 E CB -0.066 29.666 29.700 0.053 0.000 0.752 204 E HN 0.384 nan 8.360 nan 0.000 0.466 205 V N 1.330 121.355 119.914 0.186 0.000 2.759 205 V HA -0.193 3.927 4.120 0.001 0.000 0.256 205 V C 1.950 178.115 176.094 0.118 0.000 1.080 205 V CA 1.221 63.605 62.300 0.139 0.000 1.101 205 V CB -0.275 31.626 31.823 0.130 0.000 0.698 205 V HN 0.300 nan 8.190 nan 0.000 0.477 206 L N -0.561 120.761 121.223 0.165 0.000 2.599 206 L HA 0.128 4.469 4.340 0.001 0.000 0.230 206 L C 0.661 177.623 176.870 0.153 0.000 1.141 206 L CA 0.267 55.191 54.840 0.139 0.000 0.877 206 L CB -0.176 41.997 42.059 0.189 0.000 1.009 206 L HN 0.265 nan 8.230 nan 0.000 0.447 207 L N 0.190 121.504 121.223 0.151 0.000 2.399 207 L HA 0.178 4.519 4.340 0.001 0.000 0.266 207 L C 0.683 177.615 176.870 0.103 0.000 1.114 207 L CA -0.319 54.597 54.840 0.127 0.000 0.804 207 L CB 0.655 42.793 42.059 0.131 0.000 1.146 207 L HN -0.014 nan 8.230 nan 0.000 0.451 208 K N 1.336 121.774 120.400 0.064 0.000 2.451 208 K HA 0.124 4.444 4.320 0.001 0.000 0.280 208 K C 0.189 176.783 176.600 -0.009 0.000 1.020 208 K CA -0.206 56.100 56.287 0.031 0.000 1.008 208 K CB 0.647 33.150 32.500 0.005 0.000 0.917 208 K HN 0.774 nan 8.250 nan 0.000 0.478 209 G N 1.924 110.691 108.800 -0.056 0.000 2.442 209 G HA2 0.262 4.222 3.960 0.001 0.000 0.249 209 G HA3 0.262 4.222 3.960 0.001 0.000 0.249 209 G C 0.547 175.361 174.900 -0.144 0.000 1.263 209 G CA -0.311 44.702 45.100 -0.145 0.000 0.846 209 G HN 0.639 nan 8.290 nan 0.000 0.555 210 V N -0.264 119.557 119.914 -0.155 0.000 3.398 210 V HA 0.725 4.845 4.120 0.001 0.000 0.298 210 V C 0.784 176.807 176.094 -0.119 0.000 1.496 210 V CA 0.837 63.073 62.300 -0.106 0.000 1.044 210 V CB -0.080 31.709 31.823 -0.057 0.000 0.880 210 V HN 1.435 nan 8.190 nan 0.000 0.443 211 G N -0.083 108.582 108.800 -0.225 0.000 2.341 211 G HA2 0.535 4.495 3.960 0.001 0.000 0.299 211 G HA3 0.535 4.495 3.960 0.001 0.000 0.299 211 G C -2.064 172.598 174.900 -0.396 0.000 1.274 211 G CA -0.606 44.397 45.100 -0.161 0.000 0.853 211 G HN 0.108 nan 8.290 nan 0.000 0.493 212 F N 0.429 120.370 119.950 -0.015 0.000 2.563 212 F HA 0.569 5.097 4.527 0.001 0.000 0.316 212 F C -1.304 174.495 175.800 -0.001 0.000 1.076 212 F CA -1.810 56.183 58.000 -0.011 0.000 0.921 212 F CB 2.744 41.734 39.000 -0.016 0.000 1.209 212 F HN 0.252 nan 8.300 nan 0.000 0.462 213 P HA 0.093 nan 4.420 nan 0.000 0.225 213 P C 0.492 177.851 177.300 0.099 0.000 1.156 213 P CA 1.020 64.181 63.100 0.102 0.000 0.787 213 P CB 0.706 32.456 31.700 0.083 0.000 0.802 214 G N -0.350 108.524 108.800 0.124 0.000 3.359 214 G HA2 0.339 4.299 3.960 0.001 0.000 0.187 214 G HA3 0.339 4.299 3.960 0.001 0.000 0.187 214 G C -0.600 174.330 174.900 0.050 0.000 1.294 214 G CA -0.053 45.090 45.100 0.071 0.000 0.769 214 G HN 0.105 nan 8.290 nan 0.000 0.733 215 S N -0.030 115.664 115.700 -0.008 0.000 2.652 215 S HA 0.528 4.999 4.470 0.001 0.000 0.270 215 S C 0.940 175.358 174.600 -0.304 0.000 1.243 215 S CA 0.137 58.274 58.200 -0.104 0.000 0.999 215 S CB 1.685 64.831 63.200 -0.090 0.000 0.973 215 S HN 0.999 nan 8.310 nan 0.000 0.544 216 A N 0.038 122.543 122.820 -0.524 0.000 2.308 216 A HA 0.364 4.685 4.320 0.001 0.000 0.217 216 A C 1.332 178.460 177.584 -0.761 0.000 1.216 216 A CA 0.322 51.657 52.037 -1.169 0.000 0.864 216 A CB -1.199 17.306 19.000 -0.825 0.000 0.902 216 A HN 0.956 nan 8.150 nan 0.000 0.499 217 N N 0.484 118.949 118.700 -0.392 0.000 2.416 217 N HA 0.261 5.002 4.740 0.001 0.000 0.267 217 N C -0.362 175.067 175.510 -0.135 0.000 1.294 217 N CA -0.431 52.484 53.050 -0.223 0.000 0.891 217 N CB -0.437 37.959 38.487 -0.152 0.000 1.238 217 N HN 0.611 nan 8.380 nan 0.000 0.508 218 N N 0.051 118.678 118.700 -0.121 0.000 2.479 218 N HA 0.289 5.029 4.740 0.001 0.000 0.285 218 N C -0.379 175.123 175.510 -0.013 0.000 1.075 218 N CA -0.307 52.717 53.050 -0.043 0.000 0.967 218 N CB 1.222 39.704 38.487 -0.008 0.000 1.137 218 N HN 0.135 nan 8.380 nan 0.000 0.472 219 T N 1.266 115.821 114.554 0.002 0.000 2.908 219 T HA 0.211 4.561 4.350 0.001 0.000 0.301 219 T C 1.461 176.181 174.700 0.034 0.000 1.019 219 T CA 1.049 63.159 62.100 0.017 0.000 1.152 219 T CB 0.286 69.168 68.868 0.022 0.000 0.966 219 T HN 0.848 nan 8.240 nan 0.000 0.540 220 G N 2.351 111.171 108.800 0.034 0.000 2.179 220 G HA2 -0.222 3.738 3.960 0.001 0.000 0.260 220 G HA3 -0.222 3.738 3.960 0.001 0.000 0.260 220 G C -0.084 174.837 174.900 0.035 0.000 0.977 220 G CA 0.374 45.499 45.100 0.041 0.000 0.641 220 G HN 0.821 nan 8.290 nan 0.000 0.533 221 E N -0.292 119.936 120.200 0.047 0.000 2.256 221 E HA 0.676 5.026 4.350 0.001 0.000 0.267 221 E C 0.169 176.828 176.600 0.098 0.000 0.892 221 E CA -0.410 56.035 56.400 0.075 0.000 0.775 221 E CB 2.496 32.273 29.700 0.129 0.000 1.207 221 E HN 0.752 nan 8.360 nan 0.000 0.420 222 V N -0.362 119.576 119.914 0.041 0.000 3.158 222 V HA 0.870 4.990 4.120 0.001 0.000 0.311 222 V C -0.128 175.819 176.094 -0.244 0.000 1.181 222 V CA -0.808 61.456 62.300 -0.059 0.000 1.054 222 V CB 1.036 32.638 31.823 -0.369 0.000 1.085 222 V HN 0.845 nan 8.190 nan 0.000 0.446 223 A N 1.160 123.643 122.820 -0.562 0.000 2.498 223 A HA 0.554 4.874 4.320 0.001 0.000 0.239 223 A C 0.507 177.764 177.584 -0.545 0.000 1.068 223 A CA 0.804 52.236 52.037 -1.009 0.000 0.766 223 A CB 0.029 18.582 19.000 -0.744 0.000 1.003 223 A HN 1.627 nan 8.150 nan 0.000 0.497 224 S N 2.115 117.516 115.700 -0.499 0.000 2.565 224 S HA 0.635 5.105 4.470 0.001 0.000 0.290 224 S C -1.647 172.855 174.600 -0.164 0.000 1.150 224 S CA -1.436 56.625 58.200 -0.232 0.000 1.058 224 S CB 1.331 64.435 63.200 -0.160 0.000 1.032 224 S HN 0.540 nan 8.310 nan 0.000 0.510 225 P HA 0.193 nan 4.420 nan 0.000 0.240 225 P C -0.041 177.248 177.300 -0.018 0.000 1.190 225 P CA 0.441 63.521 63.100 -0.034 0.000 0.781 225 P CB 0.057 31.766 31.700 0.016 0.000 0.931 226 L N 1.270 122.482 121.223 -0.020 0.000 2.725 226 L HA 0.324 4.664 4.340 0.001 0.000 0.270 226 L C -1.790 175.077 176.870 -0.006 0.000 1.422 226 L CA -1.290 53.549 54.840 -0.002 0.000 0.770 226 L CB 1.711 43.778 42.059 0.013 0.000 1.081 226 L HN -0.198 nan 8.230 nan 0.000 0.527 227 P HA -0.069 nan 4.420 nan 0.000 0.240 227 P C 0.593 177.903 177.300 0.016 0.000 1.190 227 P CA 0.100 63.197 63.100 -0.005 0.000 0.781 227 P CB 0.544 32.232 31.700 -0.021 0.000 0.931 228 L N 1.140 122.372 121.223 0.014 0.000 2.513 228 L HA 0.459 4.799 4.340 0.001 0.000 0.272 228 L C 0.309 177.191 176.870 0.021 0.000 1.187 228 L CA 0.484 55.335 54.840 0.018 0.000 0.895 228 L CB -0.174 41.895 42.059 0.016 0.000 1.147 228 L HN -0.033 nan 8.230 nan 0.000 0.483 229 G N 2.558 111.371 108.800 0.022 0.000 2.642 229 G HA2 0.662 4.623 3.960 0.001 0.000 0.293 229 G HA3 0.662 4.623 3.960 0.001 0.000 0.293 229 G C -1.666 173.243 174.900 0.014 0.000 1.341 229 G CA -0.393 44.718 45.100 0.020 0.000 0.916 229 G HN 0.724 nan 8.290 nan 0.000 0.474 230 S N -0.994 114.712 115.700 0.010 0.000 2.543 230 S HA 0.640 5.110 4.470 0.001 0.000 0.273 230 S C 0.637 175.233 174.600 -0.007 0.000 1.152 230 S CA 1.049 59.251 58.200 0.003 0.000 0.910 230 S CB 0.814 64.020 63.200 0.009 0.000 1.105 230 S HN 2.646 nan 8.310 nan 0.000 0.465 231 G N 3.733 112.523 108.800 -0.016 0.000 2.611 231 G HA2 -0.303 3.657 3.960 0.001 0.000 0.301 231 G HA3 -0.303 3.657 3.960 0.001 0.000 0.301 231 G C 1.005 175.865 174.900 -0.067 0.000 1.233 231 G CA 0.708 45.788 45.100 -0.033 0.000 0.993 231 G HN 1.600 nan 8.290 nan 0.000 0.553 232 S N 0.974 116.611 115.700 -0.105 0.000 2.522 232 S HA 0.156 4.627 4.470 0.001 0.000 0.227 232 S C 0.431 174.924 174.600 -0.178 0.000 0.986 232 S CA 1.107 59.158 58.200 -0.248 0.000 0.929 232 S CB 0.161 63.127 63.200 -0.388 0.000 0.769 232 S HN 0.559 nan 8.310 nan 0.000 0.529 233 D N 3.457 123.840 120.400 -0.029 0.000 2.517 233 D HA 0.207 4.847 4.640 0.001 0.000 0.220 233 D C -0.211 176.111 176.300 0.037 0.000 1.158 233 D CA 0.213 54.245 54.000 0.054 0.000 0.992 233 D CB 0.153 40.991 40.800 0.063 0.000 1.058 233 D HN 0.099 nan 8.370 nan 0.000 0.516 234 T N 0.403 114.983 114.554 0.043 0.000 2.926 234 T HA 0.360 4.710 4.350 0.001 0.000 0.307 234 T C 1.169 175.888 174.700 0.033 0.000 1.059 234 T CA -0.455 61.665 62.100 0.032 0.000 1.122 234 T CB 1.123 70.014 68.868 0.039 0.000 0.972 234 T HN 0.308 nan 8.240 nan 0.000 0.545 235 G N 1.073 109.891 108.800 0.030 0.000 2.636 235 G HA2 0.248 4.208 3.960 0.001 0.000 0.246 235 G HA3 0.248 4.208 3.960 0.001 0.000 0.246 235 G C -0.154 174.762 174.900 0.026 0.000 1.216 235 G CA -0.576 44.540 45.100 0.026 0.000 0.854 235 G HN 0.822 nan 8.290 nan 0.000 0.572 236 E N -0.127 120.085 120.200 0.020 0.000 2.414 236 E HA 0.205 4.556 4.350 0.001 0.000 0.263 236 E C 0.161 176.795 176.600 0.057 0.000 1.000 236 E CA -0.140 56.278 56.400 0.032 0.000 0.914 236 E CB 0.435 30.147 29.700 0.020 0.000 0.948 236 E HN 0.401 nan 8.360 nan 0.000 0.444 237 M N 4.461 124.137 119.600 0.126 0.000 2.472 237 M HA 0.345 4.825 4.480 0.001 0.000 0.331 237 M C -0.796 175.577 176.300 0.121 0.000 1.170 237 M CA -0.689 54.704 55.300 0.155 0.000 1.009 237 M CB 1.270 34.024 32.600 0.256 0.000 1.672 237 M HN 0.459 nan 8.290 nan 0.000 0.453 238 R N 4.645 125.146 120.500 0.002 0.000 2.393 238 R HA 0.558 4.898 4.340 0.001 0.000 0.315 238 R C -1.655 174.568 176.300 -0.128 0.000 0.952 238 R CA -0.582 55.463 56.100 -0.091 0.000 0.842 238 R CB 1.117 31.360 30.300 -0.096 0.000 1.163 238 R HN 0.814 nan 8.270 nan 0.000 0.450 239 L N 3.819 124.889 121.223 -0.255 0.000 2.371 239 L HA 0.090 4.430 4.340 0.001 0.000 0.272 239 L C 1.748 178.577 176.870 -0.068 0.000 1.124 239 L CA -0.268 54.460 54.840 -0.187 0.000 0.816 239 L CB 1.385 43.266 42.059 -0.297 0.000 1.129 239 L HN 0.703 nan 8.230 nan 0.000 0.448 240 Q N 1.750 121.540 119.800 -0.017 0.000 2.135 240 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 240 Q C 1.932 177.978 176.000 0.077 0.000 0.981 240 Q CA 2.377 58.206 55.803 0.044 0.000 0.856 240 Q CB 0.100 28.862 28.738 0.041 0.000 0.902 240 Q HN 0.920 nan 8.270 nan 0.000 0.425 241 S N 0.445 116.164 115.700 0.031 0.000 2.368 241 S HA -0.128 4.342 4.470 0.001 0.000 0.224 241 S C 1.521 176.097 174.600 -0.041 0.000 1.029 241 S CA 1.214 59.428 58.200 0.024 0.000 0.988 241 S CB -0.336 62.895 63.200 0.052 0.000 0.838 241 S HN 0.291 nan 8.310 nan 0.000 0.462 242 D N 1.114 121.468 120.400 -0.077 0.000 2.097 242 D HA -0.030 4.610 4.640 0.001 0.000 0.195 242 D C 1.561 177.584 176.300 -0.462 0.000 0.989 242 D CA 0.958 54.826 54.000 -0.221 0.000 0.827 242 D CB -0.588 40.152 40.800 -0.100 0.000 0.966 242 D HN 0.453 nan 8.370 nan 0.000 0.456 243 F N 1.706 121.445 119.950 -0.351 0.000 2.091 243 F HA -0.257 4.271 4.527 0.000 0.000 0.299 243 F C 2.233 177.888 175.800 -0.242 0.000 1.103 243 F CA 2.017 59.844 58.000 -0.288 0.000 1.228 243 F CB -0.141 38.790 39.000 -0.114 0.000 0.984 243 F HN -0.049 nan 8.300 nan 0.000 0.477 244 A N 0.551 123.319 122.820 -0.087 0.000 1.902 244 A HA -0.138 4.182 4.320 0.001 0.000 0.217 244 A C 2.237 179.675 177.584 -0.242 0.000 1.181 244 A CA 1.789 53.751 52.037 -0.126 0.000 0.623 244 A CB -1.207 17.804 19.000 0.019 0.000 0.818 244 A HN 0.518 nan 8.150 nan 0.000 0.443 245 L N -0.755 120.304 121.223 -0.274 0.000 2.083 245 L HA -0.196 4.144 4.340 0.001 0.000 0.209 245 L C 3.014 179.635 176.870 -0.415 0.000 1.083 245 L CA 1.050 55.746 54.840 -0.241 0.000 0.752 245 L CB -0.456 41.540 42.059 -0.104 0.000 0.899 245 L HN 0.429 nan 8.230 nan 0.000 0.433 246 A N -1.279 120.970 122.820 -0.952 0.000 2.067 246 A HA -0.182 4.138 4.320 0.001 0.000 0.219 246 A C 1.884 178.912 177.584 -0.927 0.000 1.158 246 A CA 1.339 52.609 52.037 -1.277 0.000 0.661 246 A CB -0.502 17.362 19.000 -1.894 0.000 0.801 246 A HN 0.484 nan 8.150 nan 0.000 0.452 247 H N -1.354 117.431 119.070 -0.475 0.000 2.874 247 H HA 0.105 4.661 4.556 0.000 0.000 0.264 247 H C -0.142 175.061 175.328 -0.208 0.000 1.007 247 H CA -0.241 55.595 56.048 -0.354 0.000 1.207 247 H CB 0.148 29.603 29.762 -0.512 0.000 1.487 247 H HN 0.476 nan 8.280 nan 0.000 0.505 248 D N 2.269 122.610 120.400 -0.097 0.000 2.414 248 D HA -0.005 4.635 4.640 0.001 0.000 0.242 248 D C -1.632 174.657 176.300 -0.019 0.000 1.129 248 D CA -1.589 52.386 54.000 -0.043 0.000 0.885 248 D CB 2.314 43.092 40.800 -0.038 0.000 1.198 248 D HN 0.015 nan 8.370 nan 0.000 0.437 249 P HA -0.089 nan 4.420 nan 0.000 0.219 249 P C 1.045 178.354 177.300 0.015 0.000 1.146 249 P CA 1.076 64.181 63.100 0.008 0.000 0.808 249 P CB 0.227 31.932 31.700 0.009 0.000 0.779 250 R N -1.024 119.486 120.500 0.017 0.000 2.148 250 R HA -0.012 4.328 4.340 0.001 0.000 0.223 250 R C 1.625 177.949 176.300 0.039 0.000 1.088 250 R CA 1.916 58.033 56.100 0.029 0.000 0.985 250 R CB -0.639 29.680 30.300 0.031 0.000 0.880 250 R HN 0.342 nan 8.270 nan 0.000 0.451 251 T N -4.562 110.013 114.554 0.035 0.000 3.016 251 T HA 0.342 4.692 4.350 0.001 0.000 0.271 251 T C 1.676 176.425 174.700 0.082 0.000 0.968 251 T CA 0.181 62.318 62.100 0.062 0.000 0.891 251 T CB 0.671 69.577 68.868 0.063 0.000 1.149 251 T HN 0.095 nan 8.240 nan 0.000 0.524 252 A N 1.164 124.007 122.820 0.038 0.000 1.877 252 A HA -0.018 4.302 4.320 0.001 0.000 0.216 252 A C 2.474 180.114 177.584 0.093 0.000 1.186 252 A CA 1.585 53.644 52.037 0.037 0.000 0.620 252 A CB -1.407 17.591 19.000 -0.005 0.000 0.822 252 A HN 0.668 nan 8.150 nan 0.000 0.443 253 c N -0.754 117.881 118.600 0.059 0.000 2.435 253 c HA -0.016 4.554 4.570 0.001 0.000 0.279 253 c C 2.554 176.644 174.090 -0.000 0.000 1.321 253 c CA 0.786 57.139 56.329 0.040 0.000 1.752 253 c CB -1.370 41.155 42.510 0.024 0.000 1.959 253 c HN 0.620 nan 8.230 nan 0.000 0.500 254 I N -0.342 120.229 120.570 0.001 0.000 2.179 254 I HA -0.235 3.936 4.170 0.001 0.000 0.242 254 I C 2.650 178.598 176.117 -0.280 0.000 1.088 254 I CA 1.560 62.783 61.300 -0.128 0.000 1.357 254 I CB -0.521 37.468 38.000 -0.019 0.000 1.051 254 I HN 0.575 nan 8.210 nan 0.000 0.409 255 W N 2.023 123.230 121.300 -0.156 0.000 2.333 255 W HA -0.280 4.380 4.660 0.000 0.000 0.316 255 W C 2.496 178.975 176.519 -0.067 0.000 1.215 255 W CA 2.041 59.371 57.345 -0.025 0.000 1.278 255 W CB -0.474 29.012 29.460 0.044 0.000 1.154 255 W HN 0.267 nan 8.180 nan 0.000 0.486 256 Q N -0.190 119.726 119.800 0.194 0.000 2.170 256 Q HA -0.117 4.223 4.340 0.001 0.000 0.203 256 Q C 2.284 178.226 176.000 -0.095 0.000 0.976 256 Q CA 1.975 57.856 55.803 0.131 0.000 0.858 256 Q CB -0.796 28.052 28.738 0.184 0.000 0.907 256 Q HN 0.262 nan 8.270 nan 0.000 0.433 257 G N -0.696 107.978 108.800 -0.209 0.000 2.498 257 G HA2 -0.196 3.764 3.960 0.001 0.000 0.219 257 G HA3 -0.196 3.764 3.960 0.001 0.000 0.219 257 G C 0.849 175.578 174.900 -0.285 0.000 1.119 257 G CA 0.232 45.196 45.100 -0.228 0.000 0.766 257 G HN 0.385 nan 8.290 nan 0.000 0.552 258 F N 0.187 119.884 119.950 -0.422 0.000 2.754 258 F HA 0.212 4.739 4.527 0.001 0.000 0.297 258 F C 1.058 176.601 175.800 -0.429 0.000 1.122 258 F CA -0.653 56.964 58.000 -0.638 0.000 1.400 258 F CB 0.412 38.482 39.000 -1.549 0.000 1.117 258 F HN -0.223 nan 8.300 nan 0.000 0.587 259 V N 1.937 121.761 119.914 -0.149 0.000 2.540 259 V HA -0.122 3.998 4.120 0.001 0.000 0.297 259 V C 0.676 176.689 176.094 -0.135 0.000 1.024 259 V CA 0.388 62.624 62.300 -0.106 0.000 1.105 259 V CB -0.033 31.694 31.823 -0.160 0.000 0.938 259 V HN 0.588 nan 8.190 nan 0.000 0.482 260 N N 3.079 121.721 118.700 -0.097 0.000 2.741 260 N HA -0.177 4.563 4.740 0.001 0.000 0.250 260 N C 0.013 175.500 175.510 -0.038 0.000 1.115 260 N CA 1.221 54.221 53.050 -0.084 0.000 0.724 260 N CB -0.415 37.997 38.487 -0.125 0.000 1.090 260 N HN 0.800 nan 8.380 nan 0.000 0.558 261 E N 0.111 120.315 120.200 0.008 0.000 3.568 261 E HA 0.104 4.454 4.350 0.001 0.000 0.213 261 E C 0.591 177.255 176.600 0.105 0.000 1.197 261 E CA -0.401 56.058 56.400 0.099 0.000 1.126 261 E CB 0.838 30.674 29.700 0.227 0.000 1.285 261 E HN 0.371 nan 8.360 nan 0.000 0.418 262 Q N 1.167 120.995 119.800 0.046 0.000 2.020 262 Q HA -0.138 4.202 4.340 0.001 0.000 0.202 262 Q C 1.657 177.693 176.000 0.060 0.000 0.982 262 Q CA 1.756 57.573 55.803 0.023 0.000 0.838 262 Q CB 0.179 28.923 28.738 0.010 0.000 0.899 262 Q HN 0.435 nan 8.270 nan 0.000 0.423 263 A N 0.309 123.186 122.820 0.095 0.000 1.902 263 A HA -0.182 4.138 4.320 0.001 0.000 0.217 263 A C 1.902 179.603 177.584 0.194 0.000 1.181 263 A CA 1.361 53.467 52.037 0.116 0.000 0.623 263 A CB -0.917 18.140 19.000 0.096 0.000 0.818 263 A HN 0.485 nan 8.150 nan 0.000 0.443 264 F N 0.238 120.225 119.950 0.061 0.000 2.102 264 F HA -0.167 4.360 4.527 0.001 0.000 0.298 264 F C 2.242 178.121 175.800 0.132 0.000 1.105 264 F CA 1.815 59.894 58.000 0.131 0.000 1.239 264 F CB -0.513 38.582 39.000 0.158 0.000 0.991 264 F HN 0.292 nan 8.300 nan 0.000 0.474 265 M N 0.001 119.539 119.600 -0.103 0.000 2.065 265 M HA -0.174 4.306 4.480 0.001 0.000 0.259 265 M C 2.290 178.407 176.300 -0.304 0.000 1.069 265 M CA 2.256 57.164 55.300 -0.653 0.000 1.110 265 M CB -0.533 31.681 32.600 -0.644 0.000 1.328 265 M HN 0.212 nan 8.290 nan 0.000 0.405 266 A N 0.158 122.958 122.820 -0.034 0.000 1.902 266 A HA -0.051 4.269 4.320 0.001 0.000 0.217 266 A C 2.294 179.945 177.584 0.112 0.000 1.181 266 A CA 1.959 54.063 52.037 0.112 0.000 0.623 266 A CB -1.157 17.907 19.000 0.107 0.000 0.818 266 A HN 0.685 nan 8.150 nan 0.000 0.443 267 A N -0.631 122.247 122.820 0.097 0.000 1.933 267 A HA -0.047 4.273 4.320 0.001 0.000 0.218 267 A C 2.434 180.087 177.584 0.115 0.000 1.175 267 A CA 2.029 54.137 52.037 0.120 0.000 0.628 267 A CB -0.777 18.323 19.000 0.167 0.000 0.814 267 A HN 0.451 nan 8.150 nan 0.000 0.444 268 S N -1.165 114.576 115.700 0.068 0.000 2.368 268 S HA -0.091 4.379 4.470 0.001 0.000 0.224 268 S C 1.647 176.240 174.600 -0.011 0.000 1.029 268 S CA 1.280 59.509 58.200 0.048 0.000 0.988 268 S CB -0.495 62.631 63.200 -0.123 0.000 0.838 268 S HN 0.612 nan 8.310 nan 0.000 0.462 269 F N 2.756 122.589 119.950 -0.194 0.000 2.095 269 F HA -0.103 4.424 4.527 0.001 0.000 0.298 269 F C 2.447 178.220 175.800 -0.045 0.000 1.104 269 F CA 1.606 59.533 58.000 -0.123 0.000 1.232 269 F CB -0.293 38.688 39.000 -0.033 0.000 0.987 269 F HN 0.002 nan 8.300 nan 0.000 0.475 270 R N 0.274 120.791 120.500 0.029 0.000 2.083 270 R HA -0.199 4.142 4.340 0.001 0.000 0.237 270 R C 2.352 178.606 176.300 -0.077 0.000 1.137 270 R CA 1.523 57.588 56.100 -0.058 0.000 0.951 270 R CB -0.731 29.585 30.300 0.027 0.000 0.851 270 R HN 0.402 nan 8.270 nan 0.000 0.434 271 A N 0.494 123.312 122.820 -0.003 0.000 1.902 271 A HA -0.089 4.232 4.320 0.001 0.000 0.217 271 A C 2.327 179.927 177.584 0.028 0.000 1.181 271 A CA 1.673 53.732 52.037 0.037 0.000 0.623 271 A CB -0.711 18.350 19.000 0.101 0.000 0.818 271 A HN 0.545 nan 8.150 nan 0.000 0.443 272 A N -1.122 121.693 122.820 -0.008 0.000 1.930 272 A HA -0.067 4.253 4.320 0.001 0.000 0.217 272 A C 2.136 179.718 177.584 -0.003 0.000 1.175 272 A CA 1.810 53.873 52.037 0.043 0.000 0.627 272 A CB -0.443 18.539 19.000 -0.030 0.000 0.815 272 A HN 0.408 nan 8.150 nan 0.000 0.443 273 M N 0.836 120.293 119.600 -0.238 0.000 2.213 273 M HA -0.120 4.360 4.480 0.001 0.000 0.263 273 M C 2.465 178.740 176.300 -0.042 0.000 1.062 273 M CA 1.859 57.021 55.300 -0.230 0.000 1.105 273 M CB -1.397 30.918 32.600 -0.476 0.000 1.385 273 M HN 0.692 nan 8.290 nan 0.000 0.417 274 S N 0.135 115.821 115.700 -0.022 0.000 2.383 274 S HA -0.165 4.305 4.470 0.001 0.000 0.229 274 S C 1.922 176.557 174.600 0.059 0.000 1.030 274 S CA 1.156 59.368 58.200 0.019 0.000 1.002 274 S CB -0.328 62.880 63.200 0.014 0.000 0.829 274 S HN 0.476 nan 8.310 nan 0.000 0.467 275 K N 0.818 121.279 120.400 0.102 0.000 2.044 275 K HA 0.206 4.526 4.320 0.001 0.000 0.204 275 K C 2.245 178.986 176.600 0.236 0.000 1.049 275 K CA 1.081 57.442 56.287 0.123 0.000 0.945 275 K CB -0.449 32.099 32.500 0.080 0.000 0.724 275 K HN 0.364 nan 8.250 nan 0.000 0.440 276 L N 0.892 122.336 121.223 0.369 0.000 2.042 276 L HA -0.184 4.156 4.340 0.001 0.000 0.210 276 L C 2.233 179.255 176.870 0.253 0.000 1.076 276 L CA 1.575 56.657 54.840 0.403 0.000 0.749 276 L CB -0.303 41.906 42.059 0.250 0.000 0.893 276 L HN 0.142 nan 8.230 nan 0.000 0.432 277 A N -0.840 122.084 122.820 0.173 0.000 2.121 277 A HA -0.070 4.250 4.320 0.001 0.000 0.218 277 A C 1.757 179.432 177.584 0.152 0.000 1.154 277 A CA 1.400 53.531 52.037 0.156 0.000 0.679 277 A CB -0.669 18.407 19.000 0.128 0.000 0.795 277 A HN 0.506 nan 8.150 nan 0.000 0.458 278 V N -3.115 116.890 119.914 0.152 0.000 3.319 278 V HA 0.402 4.522 4.120 0.001 0.000 0.317 278 V C 0.334 176.564 176.094 0.226 0.000 1.411 278 V CA -0.572 61.834 62.300 0.176 0.000 1.112 278 V CB -0.932 30.944 31.823 0.089 0.000 1.031 278 V HN 0.271 nan 8.190 nan 0.000 0.448 279 L N 2.525 123.867 121.223 0.197 0.000 2.525 279 L HA 0.438 4.778 4.340 0.001 0.000 0.278 279 L C 1.572 178.478 176.870 0.061 0.000 1.218 279 L CA 1.545 56.463 54.840 0.130 0.000 0.878 279 L CB 0.103 42.259 42.059 0.161 0.000 1.127 279 L HN 0.601 nan 8.230 nan 0.000 0.492 280 G N 1.705 110.455 108.800 -0.083 0.000 2.175 280 G HA2 -0.225 3.735 3.960 0.001 0.000 0.244 280 G HA3 -0.225 3.735 3.960 0.001 0.000 0.244 280 G C -0.084 174.436 174.900 -0.633 0.000 0.982 280 G CA -0.073 44.838 45.100 -0.316 0.000 0.641 280 G HN 0.761 nan 8.290 nan 0.000 0.527 281 H N -0.866 118.214 119.070 0.017 0.000 2.928 281 H HA 0.617 5.173 4.556 0.001 0.000 0.371 281 H C -0.416 174.909 175.328 -0.005 0.000 1.186 281 H CA -0.789 55.263 56.048 0.006 0.000 1.134 281 H CB 1.170 30.935 29.762 0.005 0.000 1.824 281 H HN 0.087 nan 8.280 nan 0.000 0.554 282 N N 1.514 120.277 118.700 0.105 0.000 2.408 282 N HA 0.026 4.766 4.740 0.001 0.000 0.257 282 N C 0.954 176.491 175.510 0.045 0.000 1.064 282 N CA -0.413 52.667 53.050 0.051 0.000 0.952 282 N CB 0.826 39.329 38.487 0.028 0.000 1.093 282 N HN 0.802 nan 8.380 nan 0.000 0.490 283 R N 3.092 123.606 120.500 0.023 0.000 2.193 283 R HA -0.068 4.272 4.340 0.001 0.000 0.229 283 R C 0.307 176.592 176.300 -0.025 0.000 1.110 283 R CA 1.483 57.580 56.100 -0.006 0.000 0.988 283 R CB -0.374 29.918 30.300 -0.012 0.000 0.871 283 R HN 0.472 nan 8.270 nan 0.000 0.458 284 N N 0.166 118.858 118.700 -0.015 0.000 2.550 284 N HA -0.009 4.731 4.740 0.001 0.000 0.186 284 N C 0.382 175.876 175.510 -0.027 0.000 1.110 284 N CA 0.831 53.869 53.050 -0.021 0.000 0.912 284 N CB 0.430 38.909 38.487 -0.013 0.000 0.968 284 N HN 0.159 nan 8.380 nan 0.000 0.448 285 S N -0.125 115.562 115.700 -0.022 0.000 2.539 285 S HA 0.270 4.740 4.470 0.001 0.000 0.221 285 S C 0.091 174.658 174.600 -0.056 0.000 0.987 285 S CA -0.168 58.017 58.200 -0.026 0.000 0.929 285 S CB 0.417 63.620 63.200 0.005 0.000 0.832 285 S HN 0.157 nan 8.310 nan 0.000 0.492 286 L N 2.353 123.524 121.223 -0.086 0.000 2.329 286 L HA 0.632 4.972 4.340 0.001 0.000 0.279 286 L C -0.169 176.599 176.870 -0.170 0.000 1.014 286 L CA -1.085 53.669 54.840 -0.143 0.000 0.814 286 L CB 1.521 43.471 42.059 -0.181 0.000 1.257 286 L HN 0.185 nan 8.230 nan 0.000 0.424 287 I N -1.885 118.560 120.570 -0.209 0.000 2.581 287 I HA 0.333 4.504 4.170 0.001 0.000 0.288 287 I C -0.172 175.798 176.117 -0.245 0.000 1.047 287 I CA -0.330 60.814 61.300 -0.260 0.000 1.374 287 I CB 0.900 38.708 38.000 -0.320 0.000 1.423 287 I HN 0.460 nan 8.210 nan 0.000 0.549 288 D N 5.104 125.405 120.400 -0.165 0.000 2.339 288 D HA 0.254 4.894 4.640 0.001 0.000 0.241 288 D C -0.539 175.775 176.300 0.023 0.000 1.183 288 D CA -0.392 53.565 54.000 -0.072 0.000 0.859 288 D CB 0.920 41.729 40.800 0.015 0.000 1.067 288 D HN 0.692 nan 8.370 nan 0.000 0.484 289 c N 2.968 121.517 118.600 -0.084 0.000 2.548 289 c HA 0.177 4.747 4.570 0.001 0.000 0.297 289 c C 2.072 176.248 174.090 0.142 0.000 1.422 289 c CA -0.391 55.951 56.329 0.022 0.000 1.785 289 c CB -1.242 41.210 42.510 -0.096 0.000 2.593 289 c HN 0.584 nan 8.230 nan 0.000 0.545 290 S N 2.145 117.909 115.700 0.106 0.000 2.419 290 S HA -0.175 4.295 4.470 0.001 0.000 0.233 290 S C 1.733 176.409 174.600 0.127 0.000 1.016 290 S CA 1.990 60.274 58.200 0.140 0.000 0.974 290 S CB -0.236 63.012 63.200 0.080 0.000 0.786 290 S HN 0.913 nan 8.310 nan 0.000 0.492 291 D N 1.469 121.929 120.400 0.100 0.000 2.348 291 D HA -0.075 4.565 4.640 0.001 0.000 0.216 291 D C 1.421 177.784 176.300 0.105 0.000 0.970 291 D CA 0.748 54.796 54.000 0.081 0.000 0.889 291 D CB -0.391 40.440 40.800 0.050 0.000 0.912 291 D HN 0.438 nan 8.370 nan 0.000 0.524 292 V N -2.371 117.636 119.914 0.155 0.000 3.621 292 V HA 0.287 4.407 4.120 0.001 0.000 0.285 292 V C 0.654 176.920 176.094 0.286 0.000 1.346 292 V CA -0.598 61.822 62.300 0.199 0.000 1.104 292 V CB -0.315 31.626 31.823 0.196 0.000 0.913 292 V HN -0.058 nan 8.190 nan 0.000 0.432 293 V N 3.004 123.052 119.914 0.223 0.000 2.572 293 V HA 0.265 4.385 4.120 0.001 0.000 0.291 293 V C -1.842 174.264 176.094 0.020 0.000 1.039 293 V CA -1.062 61.286 62.300 0.079 0.000 1.055 293 V CB 0.590 32.431 31.823 0.030 0.000 0.969 293 V HN 0.389 nan 8.190 nan 0.000 0.482 294 P HA 0.061 nan 4.420 nan 0.000 0.267 294 P C -0.367 176.912 177.300 -0.035 0.000 1.200 294 P CA -0.130 62.954 63.100 -0.027 0.000 0.772 294 P CB 0.333 31.999 31.700 -0.058 0.000 0.855 295 V N 5.358 125.261 119.914 -0.018 0.000 2.585 295 V HA 0.091 4.211 4.120 0.001 0.000 0.296 295 V C -1.449 174.621 176.094 -0.039 0.000 1.035 295 V CA -0.788 61.500 62.300 -0.021 0.000 1.084 295 V CB -0.142 31.677 31.823 -0.007 0.000 0.953 295 V HN 0.637 nan 8.190 nan 0.000 0.483 296 P HA 0.241 nan 4.420 nan 0.000 0.277 296 P C -0.648 176.624 177.300 -0.047 0.000 1.240 296 P CA -0.726 62.333 63.100 -0.068 0.000 0.798 296 P CB 0.770 32.416 31.700 -0.091 0.000 0.979 297 K N 2.683 123.054 120.400 -0.048 0.000 2.451 297 K HA 0.142 4.463 4.320 0.001 0.000 0.280 297 K C -1.787 174.801 176.600 -0.020 0.000 1.020 297 K CA -1.071 55.200 56.287 -0.028 0.000 1.008 297 K CB -0.369 32.117 32.500 -0.024 0.000 0.917 297 K HN 0.439 nan 8.250 nan 0.000 0.478 298 P HA 0.054 nan 4.420 nan 0.000 0.277 298 P C -0.763 176.542 177.300 0.009 0.000 1.240 298 P CA -0.388 62.712 63.100 -0.000 0.000 0.798 298 P CB 0.961 32.662 31.700 0.002 0.000 0.979 299 A N 1.980 124.810 122.820 0.016 0.000 2.429 299 A HA 0.222 4.542 4.320 0.001 0.000 0.242 299 A C 1.675 179.269 177.584 0.016 0.000 1.088 299 A CA 0.534 52.584 52.037 0.022 0.000 0.784 299 A CB -0.739 18.277 19.000 0.027 0.000 1.038 299 A HN 0.674 nan 8.150 nan 0.000 0.501 300 T N -1.956 112.608 114.554 0.017 0.000 3.055 300 T HA 0.324 4.674 4.350 0.001 0.000 0.265 300 T C 1.403 176.111 174.700 0.013 0.000 1.111 300 T CA 1.236 63.344 62.100 0.014 0.000 1.118 300 T CB -0.289 68.588 68.868 0.015 0.000 0.909 300 T HN 2.484 nan 8.240 nan 0.000 0.501 301 G N 0.717 109.525 108.800 0.013 0.000 2.176 301 G HA2 -0.275 3.685 3.960 0.001 0.000 0.253 301 G HA3 -0.275 3.685 3.960 0.001 0.000 0.253 301 G C -0.148 174.757 174.900 0.009 0.000 0.979 301 G CA 0.210 45.317 45.100 0.012 0.000 0.641 301 G HN 0.887 nan 8.290 nan 0.000 0.530 302 Q N 1.252 121.058 119.800 0.009 0.000 2.340 302 Q HA 0.497 4.837 4.340 0.001 0.000 0.249 302 Q C -1.536 174.465 176.000 0.002 0.000 0.957 302 Q CA -1.386 54.421 55.803 0.008 0.000 0.882 302 Q CB 0.926 29.671 28.738 0.011 0.000 1.235 302 Q HN 0.288 nan 8.270 nan 0.000 0.439 303 P HA 0.055 nan 4.420 nan 0.000 0.271 303 P C -1.234 176.055 177.300 -0.018 0.000 1.233 303 P CA -0.193 62.901 63.100 -0.010 0.000 0.789 303 P CB 0.352 32.050 31.700 -0.004 0.000 0.951 304 A N 2.043 124.839 122.820 -0.040 0.000 2.466 304 A HA 0.451 4.771 4.320 0.001 0.000 0.238 304 A C 0.231 177.779 177.584 -0.060 0.000 1.074 304 A CA 0.229 52.229 52.037 -0.062 0.000 0.774 304 A CB -0.394 18.549 19.000 -0.094 0.000 1.015 304 A HN 0.552 nan 8.150 nan 0.000 0.498 305 M N 0.572 120.132 119.600 -0.067 0.000 2.484 305 M HA 0.388 4.868 4.480 0.001 0.000 0.289 305 M C -1.383 174.883 176.300 -0.057 0.000 1.206 305 M CA -0.126 55.164 55.300 -0.018 0.000 0.892 305 M CB 1.979 34.608 32.600 0.048 0.000 1.712 305 M HN 0.575 nan 8.290 nan 0.000 0.462 306 F N 2.269 122.263 119.950 0.074 0.000 2.543 306 F HA 0.243 4.770 4.527 0.001 0.000 0.375 306 F C -1.881 173.946 175.800 0.045 0.000 1.075 306 F CA -1.006 57.034 58.000 0.067 0.000 1.225 306 F CB -0.149 38.890 39.000 0.064 0.000 1.099 306 F HN 0.195 nan 8.300 nan 0.000 0.561 307 P HA 0.081 nan 4.420 nan 0.000 0.269 307 P C -0.770 176.605 177.300 0.124 0.000 1.215 307 P CA -0.302 62.870 63.100 0.120 0.000 0.780 307 P CB 0.534 32.284 31.700 0.084 0.000 0.898 308 A N 2.753 125.623 122.820 0.083 0.000 2.565 308 A HA 0.324 4.645 4.320 0.001 0.000 0.237 308 A C 1.147 178.763 177.584 0.053 0.000 1.053 308 A CA 1.259 53.333 52.037 0.062 0.000 0.755 308 A CB -1.043 17.984 19.000 0.045 0.000 0.980 308 A HN 0.945 nan 8.150 nan 0.000 0.506 309 S N -0.626 115.097 115.700 0.039 0.000 2.659 309 S HA -0.191 4.280 4.470 0.001 0.000 0.264 309 S C 0.317 174.933 174.600 0.027 0.000 1.310 309 S CA 1.682 59.897 58.200 0.025 0.000 1.262 309 S CB -2.874 60.339 63.200 0.023 0.000 1.548 309 S HN 2.717 nan 8.310 nan 0.000 0.657 310 T N -1.522 113.063 114.554 0.052 0.000 2.926 310 T HA 0.890 5.241 4.350 0.001 0.000 0.289 310 T C 0.305 174.979 174.700 -0.043 0.000 1.054 310 T CA -0.057 62.078 62.100 0.059 0.000 1.015 310 T CB 1.529 70.502 68.868 0.175 0.000 1.167 310 T HN 1.906 nan 8.240 nan 0.000 0.526 311 G N 0.090 108.754 108.800 -0.227 0.000 2.488 311 G HA2 0.550 4.510 3.960 0.001 0.000 0.301 311 G HA3 0.550 4.510 3.960 0.001 0.000 0.301 311 G C -2.678 171.665 174.900 -0.927 0.000 1.339 311 G CA -0.941 43.689 45.100 -0.783 0.000 0.803 311 G HN 0.439 nan 8.290 nan 0.000 0.482 312 P HA -0.106 nan 4.420 nan 0.000 0.218 312 P C 1.880 179.033 177.300 -0.246 0.000 1.148 312 P CA 1.550 64.346 63.100 -0.505 0.000 0.822 312 P CB 0.196 31.713 31.700 -0.305 0.000 0.784 313 Q N -0.531 119.139 119.800 -0.216 0.000 2.364 313 Q HA -0.157 4.183 4.340 0.001 0.000 0.209 313 Q C 0.574 176.517 176.000 -0.094 0.000 0.977 313 Q CA 1.497 57.224 55.803 -0.126 0.000 0.885 313 Q CB -0.999 27.677 28.738 -0.104 0.000 0.941 313 Q HN 0.290 nan 8.270 nan 0.000 0.464 314 D N 0.753 121.096 120.400 -0.095 0.000 2.350 314 D HA 0.175 4.816 4.640 0.001 0.000 0.213 314 D C 0.379 176.676 176.300 -0.006 0.000 1.031 314 D CA -0.031 53.949 54.000 -0.033 0.000 0.861 314 D CB 0.336 41.133 40.800 -0.005 0.000 0.926 314 D HN 0.236 nan 8.370 nan 0.000 0.520 315 L N 1.351 122.551 121.223 -0.038 0.000 2.456 315 L HA 0.069 4.410 4.340 0.001 0.000 0.272 315 L C 0.656 177.508 176.870 -0.030 0.000 1.189 315 L CA 0.464 55.271 54.840 -0.055 0.000 0.846 315 L CB 0.547 42.471 42.059 -0.226 0.000 1.111 315 L HN -0.233 nan 8.230 nan 0.000 0.475 316 E N 4.758 124.974 120.200 0.027 0.000 2.376 316 E HA 0.342 4.692 4.350 0.001 0.000 0.236 316 E C -0.974 175.697 176.600 0.119 0.000 0.962 316 E CA -0.260 56.174 56.400 0.056 0.000 0.768 316 E CB 0.924 30.671 29.700 0.078 0.000 1.236 316 E HN 0.438 nan 8.360 nan 0.000 0.431 317 L N 0.977 122.226 121.223 0.043 0.000 2.375 317 L HA 0.305 4.646 4.340 0.001 0.000 0.271 317 L C 0.809 177.731 176.870 0.087 0.000 1.107 317 L CA -0.159 54.719 54.840 0.064 0.000 0.806 317 L CB 1.288 43.362 42.059 0.024 0.000 1.146 317 L HN 0.388 nan 8.230 nan 0.000 0.447 318 S N 0.067 115.828 115.700 0.103 0.000 2.960 318 S HA 0.073 4.543 4.470 0.001 0.000 0.256 318 S C -0.426 174.211 174.600 0.061 0.000 1.017 318 S CA -0.381 57.870 58.200 0.085 0.000 1.144 318 S CB 0.532 63.806 63.200 0.124 0.000 1.109 318 S HN 0.668 nan 8.310 nan 0.000 0.638 319 c N 4.105 122.749 118.600 0.074 0.000 2.301 319 c HA 0.542 5.112 4.570 0.001 0.000 0.313 319 c C -1.856 172.269 174.090 0.058 0.000 1.121 319 c CA -1.915 54.453 56.329 0.065 0.000 1.507 319 c CB 0.032 42.590 42.510 0.079 0.000 1.975 319 c HN 0.279 nan 8.230 nan 0.000 0.425 320 P HA -0.048 nan 4.420 nan 0.000 0.223 320 P C 1.226 178.545 177.300 0.031 0.000 1.151 320 P CA 1.165 64.285 63.100 0.034 0.000 0.787 320 P CB 0.122 31.835 31.700 0.023 0.000 0.788 321 S N -2.258 113.458 115.700 0.026 0.000 2.540 321 S HA 0.177 4.648 4.470 0.001 0.000 0.218 321 S C 0.393 175.001 174.600 0.014 0.000 0.977 321 S CA -0.347 57.862 58.200 0.016 0.000 0.918 321 S CB -0.282 62.922 63.200 0.007 0.000 0.806 321 S HN 0.112 nan 8.310 nan 0.000 0.496 322 E N 1.379 121.595 120.200 0.028 0.000 2.246 322 E HA 0.336 4.686 4.350 0.001 0.000 0.266 322 E C -1.039 175.592 176.600 0.051 0.000 0.880 322 E CA -0.694 55.719 56.400 0.021 0.000 0.762 322 E CB 1.990 31.693 29.700 0.005 0.000 1.180 322 E HN 0.193 nan 8.360 nan 0.000 0.416 323 R N 3.000 123.524 120.500 0.039 0.000 2.449 323 R HA 0.102 4.442 4.340 0.001 0.000 0.296 323 R C -0.719 175.633 176.300 0.085 0.000 1.047 323 R CA -0.247 55.897 56.100 0.072 0.000 1.018 323 R CB 0.296 30.625 30.300 0.048 0.000 0.962 323 R HN 0.455 nan 8.270 nan 0.000 0.428 324 F N 7.632 127.607 119.950 0.041 0.000 2.538 324 F HA 0.243 4.770 4.527 0.000 0.000 0.371 324 F C -1.554 174.282 175.800 0.059 0.000 1.087 324 F CA -1.667 56.368 58.000 0.058 0.000 1.250 324 F CB 0.493 39.543 39.000 0.084 0.000 1.110 324 F HN 0.544 nan 8.300 nan 0.000 0.570 325 P HA 0.083 nan 4.420 nan 0.000 0.272 325 P C -0.973 176.365 177.300 0.063 0.000 1.230 325 P CA -0.381 62.608 63.100 -0.185 0.000 0.788 325 P CB 0.448 31.970 31.700 -0.297 0.000 0.949 326 T N 2.309 116.915 114.554 0.086 0.000 2.727 326 T HA 0.387 4.738 4.350 0.001 0.000 0.295 326 T C 0.241 175.023 174.700 0.137 0.000 0.915 326 T CA -0.043 62.146 62.100 0.148 0.000 1.066 326 T CB -0.421 68.507 68.868 0.100 0.000 0.891 326 T HN 0.173 nan 8.240 nan 0.000 0.516 327 L N 2.901 124.273 121.223 0.249 0.000 2.341 327 L HA 0.588 4.928 4.340 0.001 0.000 0.267 327 L C 1.035 178.080 176.870 0.292 0.000 1.009 327 L CA -1.279 53.694 54.840 0.223 0.000 0.819 327 L CB 2.067 44.227 42.059 0.167 0.000 1.323 327 L HN 0.585 nan 8.230 nan 0.000 0.425 328 T N -2.035 112.643 114.554 0.206 0.000 2.849 328 T HA 0.392 4.742 4.350 0.001 0.000 0.284 328 T C 0.025 174.894 174.700 0.282 0.000 1.004 328 T CA -0.464 61.750 62.100 0.190 0.000 1.021 328 T CB 1.233 70.168 68.868 0.112 0.000 1.013 328 T HN 0.532 nan 8.240 nan 0.000 0.527 329 T N 1.917 116.593 114.554 0.204 0.000 2.807 329 T HA 0.383 4.733 4.350 0.001 0.000 0.279 329 T C -0.195 174.578 174.700 0.121 0.000 0.993 329 T CA -0.603 61.618 62.100 0.202 0.000 0.970 329 T CB 1.554 70.486 68.868 0.107 0.000 0.950 329 T HN 0.824 nan 8.240 nan 0.000 0.441 330 Q N 4.095 123.966 119.800 0.118 0.000 2.330 330 Q HA 0.190 4.530 4.340 0.001 0.000 0.279 330 Q C -2.304 173.732 176.000 0.060 0.000 1.024 330 Q CA -0.830 55.020 55.803 0.077 0.000 0.900 330 Q CB 0.274 29.055 28.738 0.072 0.000 1.221 330 Q HN 0.214 nan 8.270 nan 0.000 0.396 331 P HA 0.372 nan 4.420 nan 0.000 0.272 331 P C -0.649 176.669 177.300 0.030 0.000 1.230 331 P CA 0.192 63.312 63.100 0.033 0.000 0.788 331 P CB 0.840 32.556 31.700 0.028 0.000 0.949 332 G N -0.630 108.184 108.800 0.023 0.000 2.379 332 G HA2 0.280 4.240 3.960 0.001 0.000 0.609 332 G HA3 0.280 4.240 3.960 0.001 0.000 0.609 332 G C 0.204 175.114 174.900 0.017 0.000 1.484 332 G CA -0.125 44.987 45.100 0.021 0.000 0.921 332 G HN 0.446 nan 8.290 nan 0.000 0.658 333 A N 0.205 123.032 122.820 0.013 0.000 2.030 333 A HA 0.677 4.997 4.320 0.001 0.000 0.215 333 A C 1.440 179.030 177.584 0.010 0.000 1.164 333 A CA 2.130 54.172 52.037 0.009 0.000 0.697 333 A CB 0.033 19.037 19.000 0.006 0.000 0.827 333 A HN 1.495 nan 8.150 nan 0.000 0.457 334 S N -1.257 114.451 115.700 0.014 0.000 2.671 334 S HA 0.407 4.877 4.470 0.001 0.000 0.299 334 S C -0.497 174.114 174.600 0.019 0.000 1.116 334 S CA -0.598 57.610 58.200 0.014 0.000 0.912 334 S CB 1.299 64.507 63.200 0.012 0.000 1.130 334 S HN 0.501 nan 8.310 nan 0.000 0.501 335 Q N 1.119 120.931 119.800 0.019 0.000 2.337 335 Q HA 0.200 4.540 4.340 0.001 0.000 0.270 335 Q C -0.736 175.278 176.000 0.024 0.000 1.002 335 Q CA 0.168 55.985 55.803 0.023 0.000 0.888 335 Q CB 0.443 29.193 28.738 0.020 0.000 1.222 335 Q HN 0.605 nan 8.270 nan 0.000 0.400 336 S N 3.424 119.140 115.700 0.028 0.000 2.584 336 S HA 0.282 4.752 4.470 0.001 0.000 0.273 336 S C 0.040 174.656 174.600 0.028 0.000 1.311 336 S CA -0.636 57.581 58.200 0.028 0.000 1.034 336 S CB 0.508 63.727 63.200 0.032 0.000 0.939 336 S HN 0.523 nan 8.310 nan 0.000 0.513 337 L N 2.742 123.983 121.223 0.030 0.000 2.485 337 L HA 0.210 4.551 4.340 0.001 0.000 0.275 337 L C -0.114 176.780 176.870 0.040 0.000 1.207 337 L CA 0.096 54.956 54.840 0.034 0.000 0.855 337 L CB -0.027 42.054 42.059 0.036 0.000 1.114 337 L HN 0.533 nan 8.230 nan 0.000 0.485 338 I N 3.093 123.686 120.570 0.038 0.000 2.301 338 I HA 0.220 4.390 4.170 0.001 0.000 0.292 338 I C 0.730 176.895 176.117 0.079 0.000 1.046 338 I CA -0.252 61.069 61.300 0.035 0.000 1.282 338 I CB 1.229 39.227 38.000 -0.003 0.000 1.409 338 I HN 0.671 nan 8.210 nan 0.000 0.484 339 A N 4.450 127.341 122.820 0.118 0.000 2.540 339 A HA -0.065 4.256 4.320 0.001 0.000 0.239 339 A C 1.051 178.809 177.584 0.289 0.000 1.061 339 A CA 0.161 52.310 52.037 0.186 0.000 0.758 339 A CB -0.091 19.023 19.000 0.191 0.000 0.991 339 A HN 0.861 nan 8.150 nan 0.000 0.502 340 H N 0.417 119.586 119.070 0.166 0.000 2.495 340 H HA 0.062 4.618 4.556 0.001 0.000 0.287 340 H C 0.100 175.595 175.328 0.279 0.000 1.033 340 H CA 1.343 57.510 56.048 0.197 0.000 1.307 340 H CB 0.062 29.882 29.762 0.096 0.000 1.401 340 H HN 0.598 nan 8.280 nan 0.000 0.555 341 c N 0.556 119.223 118.600 0.112 0.000 2.493 341 c HA 0.248 4.819 4.570 0.001 0.000 0.326 341 c C -1.055 172.736 174.090 -0.498 0.000 1.200 341 c CA -1.271 54.924 56.329 -0.222 0.000 1.739 341 c CB 2.123 44.566 42.510 -0.111 0.000 2.300 341 c HN 0.329 nan 8.230 nan 0.000 0.500 342 P HA -0.139 nan 4.420 nan 0.000 0.218 342 P C 0.690 177.817 177.300 -0.288 0.000 1.146 342 P CA 1.535 64.115 63.100 -0.867 0.000 0.813 342 P CB 0.053 31.293 31.700 -0.767 0.000 0.778 343 D N -2.853 117.427 120.400 -0.200 0.000 2.369 343 D HA 0.141 4.781 4.640 0.001 0.000 0.211 343 D C 1.376 177.654 176.300 -0.038 0.000 1.077 343 D CA 0.365 54.310 54.000 -0.091 0.000 0.842 343 D CB -0.823 39.928 40.800 -0.081 0.000 0.947 343 D HN 0.170 nan 8.370 nan 0.000 0.509 344 G N 0.530 109.318 108.800 -0.020 0.000 2.162 344 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 344 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 344 G C 0.463 175.376 174.900 0.022 0.000 0.976 344 G CA 0.677 45.793 45.100 0.027 0.000 0.655 344 G HN 0.849 nan 8.290 nan 0.000 0.533 345 S N -2.130 113.571 115.700 0.001 0.000 2.655 345 S HA 0.679 5.149 4.470 0.001 0.000 0.265 345 S C 1.963 176.582 174.600 0.032 0.000 1.240 345 S CA 0.763 58.968 58.200 0.009 0.000 0.986 345 S CB 1.335 64.529 63.200 -0.010 0.000 0.985 345 S HN 1.644 nan 8.310 nan 0.000 0.562 346 M N 0.278 119.894 119.600 0.027 0.000 2.619 346 M HA 0.397 4.877 4.480 0.001 0.000 0.251 346 M C 0.975 177.300 176.300 0.042 0.000 1.106 346 M CA 1.043 56.364 55.300 0.034 0.000 1.086 346 M CB -1.473 31.137 32.600 0.017 0.000 1.465 346 M HN 0.828 nan 8.290 nan 0.000 0.506 347 S N -0.546 115.174 115.700 0.034 0.000 2.603 347 S HA 0.577 5.048 4.470 0.001 0.000 0.274 347 S C -0.806 173.802 174.600 0.014 0.000 1.168 347 S CA -0.058 58.162 58.200 0.034 0.000 0.963 347 S CB 1.021 64.228 63.200 0.012 0.000 1.078 347 S HN 1.410 nan 8.310 nan 0.000 0.477 348 c N 3.532 122.146 118.600 0.024 0.000 3.173 348 c HA 0.502 5.073 4.570 0.001 0.000 0.209 348 c C -2.210 171.864 174.090 -0.026 0.000 1.229 348 c CA -1.325 54.984 56.329 -0.032 0.000 1.109 348 c CB -1.194 41.258 42.510 -0.097 0.000 1.833 348 c HN 0.690 nan 8.230 nan 0.000 0.626 349 P HA 0.399 nan 4.420 nan 0.000 0.271 349 P C 0.559 177.839 177.300 -0.034 0.000 1.216 349 P CA 1.054 64.152 63.100 -0.005 0.000 0.771 349 P CB 1.034 32.730 31.700 -0.007 0.000 0.864 350 G N 1.878 110.660 108.800 -0.031 0.000 2.444 350 G HA2 0.349 4.310 3.960 0.001 0.000 0.268 350 G HA3 0.349 4.310 3.960 0.001 0.000 0.268 350 G C -0.161 174.695 174.900 -0.072 0.000 1.203 350 G CA -0.588 44.484 45.100 -0.045 0.000 0.835 350 G HN 0.409 nan 8.290 nan 0.000 0.543 351 V N 1.442 121.295 119.914 -0.101 0.000 2.673 351 V HA 0.213 4.333 4.120 0.001 0.000 0.303 351 V C 0.316 176.274 176.094 -0.227 0.000 1.046 351 V CA 0.413 62.594 62.300 -0.197 0.000 1.126 351 V CB 1.107 32.796 31.823 -0.223 0.000 0.934 351 V HN 0.811 nan 8.190 nan 0.000 0.487 352 Q N 3.975 123.587 119.800 -0.314 0.000 2.271 352 Q HA 0.512 4.852 4.340 0.001 0.000 0.268 352 Q C -1.486 174.319 176.000 -0.324 0.000 1.021 352 Q CA -0.379 55.288 55.803 -0.226 0.000 0.802 352 Q CB 1.463 30.151 28.738 -0.083 0.000 1.282 352 Q HN 0.490 nan 8.270 nan 0.000 0.431 353 F N 1.754 121.715 119.950 0.019 0.000 2.385 353 F HA 0.459 4.986 4.527 0.001 0.000 0.336 353 F C 0.854 176.660 175.800 0.009 0.000 1.100 353 F CA -0.362 57.642 58.000 0.006 0.000 1.116 353 F CB 1.064 40.064 39.000 -0.001 0.000 1.166 353 F HN 0.525 nan 8.300 nan 0.000 0.511 354 N N 0.254 119.067 118.700 0.187 0.000 2.444 354 N HA 0.598 5.338 4.740 0.001 0.000 0.255 354 N C 0.110 175.683 175.510 0.105 0.000 1.255 354 N CA 0.101 53.218 53.050 0.111 0.000 0.933 354 N CB 0.806 39.337 38.487 0.074 0.000 1.143 354 N HN 0.809 nan 8.380 nan 0.000 0.453 355 G N -0.215 108.625 108.800 0.067 0.000 2.428 355 G HA2 0.201 4.162 3.960 0.001 0.000 0.304 355 G HA3 0.201 4.162 3.960 0.001 0.000 0.304 355 G C -2.353 172.566 174.900 0.031 0.000 1.303 355 G CA -0.579 44.548 45.100 0.044 0.000 0.825 355 G HN 0.369 nan 8.290 nan 0.000 0.484 356 P HA 0.241 nan 4.420 nan 0.000 0.227 356 P C 1.019 178.329 177.300 0.017 0.000 1.161 356 P CA 1.152 64.260 63.100 0.013 0.000 0.788 356 P CB 0.354 32.055 31.700 0.001 0.000 0.822 357 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 52.048 52.037 0.019 0.000 0.836 357 A CB 0.000 19.014 19.000 0.023 0.000 0.831 357 A HN 0.000 nan 8.150 nan 0.000 0.486