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 1i7x_1_C DATA FIRST_RESID 134 DATA SEQUENCE HAVVNLINYQ DDAELATRAI PELTKLLNDE DQVVVNKAAV MVHQLSKKEA DATA SEQUENCE SRHAIMRSPQ MVSAIVRTMQ NTNDVETARC TAGTLHNLSH HREGLLAIFK DATA SEQUENCE SGGIPALVKM LGSPVDSVLF YAITTLHNLL LHQEGAKMAV RLAGGLQKMV DATA SEQUENCE ALLNKTNVKF LAITTDCLQI LAYGNQESKL IILASGGPQA LVNIMRTYTY DATA SEQUENCE EKLLWTTSRV LKVLSVCSSN KPAIVEAGGM QALGLHLTDP SQRLVQNCLW DATA SEQUENCE TLRNLSDAAT KQEGMEGLLG TLVQLLGSDD INVVTCAAGI LSNLTCNNYK DATA SEQUENCE NKMMVCQVGG IEALVRTVLR AGDREDITEP AICALRHLTS RHQEAEMAQN DATA SEQUENCE AVRLHYGLPV VVKLLHPPSH WPLIKATVGL IRNLALCPAN HAPLREQGAI DATA SEQUENCE PRLVQLLVRA HQDTQRXXXX XXXXXXFVEG VRMEEIVEGC TGALHILARD DATA SEQUENCE VHNRIVIRGL NTIPLFVQLL YSPIENIQRV AAGVLCELAQ DKEAAEAIEA DATA SEQUENCE EGATAPLTEL LHSRNEGVAT YAAAVLFRMS E 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 134 H HA 0.000 nan 4.556 nan 0.000 0.296 134 H C 0.000 175.327 175.328 -0.001 0.000 0.993 134 H CA 0.000 56.050 56.048 0.003 0.000 1.023 134 H CB 0.000 29.763 29.762 0.002 0.000 1.292 135 A N 1.270 124.167 122.820 0.129 0.000 2.148 135 A HA -0.103 4.216 4.320 -0.001 0.000 0.222 135 A C 1.778 179.385 177.584 0.038 0.000 1.161 135 A CA 2.477 54.549 52.037 0.059 0.000 0.662 135 A CB -0.330 18.688 19.000 0.031 0.000 0.799 135 A HN 0.207 nan 8.150 nan 0.000 0.466 136 V N -2.722 117.222 119.914 0.050 0.000 3.305 136 V HA -0.037 4.082 4.120 -0.001 0.000 0.247 136 V C 2.134 178.254 176.094 0.044 0.000 1.426 136 V CA 0.711 63.031 62.300 0.034 0.000 1.162 136 V CB 0.120 31.958 31.823 0.026 0.000 0.961 136 V HN 0.188 nan 8.190 nan 0.000 0.449 137 V N 2.011 121.966 119.914 0.067 0.000 2.313 137 V HA -0.322 3.797 4.120 -0.001 0.000 0.253 137 V C 2.367 178.489 176.094 0.047 0.000 1.070 137 V CA 2.662 65.002 62.300 0.067 0.000 1.057 137 V CB -0.858 31.030 31.823 0.108 0.000 0.653 137 V HN 0.615 nan 8.190 nan 0.000 0.450 138 N N 0.122 118.844 118.700 0.036 0.000 2.062 138 N HA -0.128 4.611 4.740 -0.001 0.000 0.191 138 N C 1.753 177.297 175.510 0.058 0.000 1.042 138 N CA 1.355 54.423 53.050 0.030 0.000 0.845 138 N CB -0.651 37.836 38.487 0.000 0.000 1.024 138 N HN 0.403 nan 8.380 nan 0.000 0.424 139 L N 1.286 122.525 121.223 0.028 0.000 2.263 139 L HA -0.067 4.273 4.340 -0.001 0.000 0.216 139 L C 1.681 178.599 176.870 0.080 0.000 1.111 139 L CA 1.171 56.028 54.840 0.028 0.000 0.773 139 L CB -0.282 41.773 42.059 -0.007 0.000 0.906 139 L HN 0.114 nan 8.230 nan 0.000 0.439 140 I N -0.993 119.617 120.570 0.067 0.000 2.628 140 I HA -0.081 4.088 4.170 -0.001 0.000 0.255 140 I C 1.925 178.081 176.117 0.066 0.000 1.119 140 I CA 0.666 62.002 61.300 0.059 0.000 1.448 140 I CB -1.227 36.797 38.000 0.041 0.000 1.133 140 I HN 0.306 nan 8.210 nan 0.000 0.438 141 N N 0.390 119.131 118.700 0.068 0.000 2.381 141 N HA -0.205 4.535 4.740 -0.001 0.000 0.182 141 N C 1.755 177.308 175.510 0.072 0.000 1.025 141 N CA 0.842 53.925 53.050 0.054 0.000 0.888 141 N CB -0.209 38.304 38.487 0.044 0.000 0.965 141 N HN 0.327 nan 8.380 nan 0.000 0.438 142 Y N 2.734 123.022 120.300 -0.020 0.000 2.079 142 Y HA -0.286 4.264 4.550 -0.001 0.000 0.267 142 Y C 2.666 178.547 175.900 -0.031 0.000 1.104 142 Y CA 2.261 60.344 58.100 -0.029 0.000 1.086 142 Y CB -0.741 37.695 38.460 -0.039 0.000 0.989 142 Y HN 0.146 nan 8.280 nan 0.000 0.477 143 Q N -0.337 119.512 119.800 0.082 0.000 2.242 143 Q HA -0.267 4.073 4.340 -0.001 0.000 0.211 143 Q C 1.434 177.390 176.000 -0.074 0.000 0.992 143 Q CA 2.205 57.991 55.803 -0.027 0.000 0.889 143 Q CB -0.622 28.148 28.738 0.053 0.000 0.913 143 Q HN 0.500 nan 8.270 nan 0.000 0.422 144 D N 1.351 121.728 120.400 -0.039 0.000 2.077 144 D HA -0.128 4.512 4.640 -0.001 0.000 0.196 144 D C 1.575 177.833 176.300 -0.070 0.000 0.986 144 D CA 1.474 55.451 54.000 -0.039 0.000 0.829 144 D CB -0.216 40.578 40.800 -0.011 0.000 0.983 144 D HN 0.269 nan 8.370 nan 0.000 0.453 145 D N 0.159 120.506 120.400 -0.087 0.000 2.221 145 D HA -0.134 4.505 4.640 -0.001 0.000 0.204 145 D C 1.870 178.084 176.300 -0.143 0.000 0.982 145 D CA 0.976 54.917 54.000 -0.098 0.000 0.857 145 D CB -0.033 40.713 40.800 -0.091 0.000 0.934 145 D HN 0.166 nan 8.370 nan 0.000 0.475 146 A N 1.214 123.895 122.820 -0.232 0.000 1.841 146 A HA -0.193 4.127 4.320 -0.001 0.000 0.214 146 A C 2.144 179.648 177.584 -0.133 0.000 1.195 146 A CA 1.588 53.475 52.037 -0.250 0.000 0.611 146 A CB -0.680 18.080 19.000 -0.399 0.000 0.835 146 A HN 0.196 nan 8.150 nan 0.000 0.443 147 E N -0.707 119.431 120.200 -0.104 0.000 2.171 147 E HA -0.230 4.119 4.350 -0.001 0.000 0.197 147 E C 1.831 178.403 176.600 -0.048 0.000 0.997 147 E CA 1.385 57.749 56.400 -0.061 0.000 0.810 147 E CB -0.195 29.479 29.700 -0.044 0.000 0.738 147 E HN 0.432 nan 8.360 nan 0.000 0.467 148 L N 0.397 121.589 121.223 -0.052 0.000 2.056 148 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 148 L C 2.207 179.056 176.870 -0.035 0.000 1.078 148 L CA 2.020 56.837 54.840 -0.038 0.000 0.749 148 L CB -0.622 41.415 42.059 -0.036 0.000 0.901 148 L HN 0.184 nan 8.230 nan 0.000 0.433 149 A N -1.578 121.214 122.820 -0.047 0.000 1.877 149 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 149 A C 2.224 179.792 177.584 -0.027 0.000 1.186 149 A CA 2.208 54.224 52.037 -0.036 0.000 0.620 149 A CB -1.270 17.703 19.000 -0.046 0.000 0.822 149 A HN 0.470 nan 8.150 nan 0.000 0.443 150 T N -0.835 113.699 114.554 -0.033 0.000 2.869 150 T HA -0.169 4.180 4.350 -0.001 0.000 0.270 150 T C 1.882 176.573 174.700 -0.016 0.000 1.082 150 T CA 1.686 63.773 62.100 -0.022 0.000 1.123 150 T CB -0.218 68.635 68.868 -0.025 0.000 0.856 150 T HN 0.582 nan 8.240 nan 0.000 0.499 151 R N 0.107 120.597 120.500 -0.018 0.000 2.189 151 R HA 0.273 4.613 4.340 -0.001 0.000 0.203 151 R C 2.363 178.657 176.300 -0.009 0.000 1.012 151 R CA 0.723 56.815 56.100 -0.013 0.000 1.015 151 R CB -0.085 30.206 30.300 -0.014 0.000 0.938 151 R HN 0.332 nan 8.270 nan 0.000 0.472 152 A N 1.054 123.867 122.820 -0.011 0.000 1.984 152 A HA 0.055 4.374 4.320 -0.001 0.000 0.214 152 A C 1.833 179.415 177.584 -0.003 0.000 1.173 152 A CA 0.220 52.253 52.037 -0.006 0.000 0.673 152 A CB -0.094 18.901 19.000 -0.008 0.000 0.830 152 A HN 0.164 nan 8.150 nan 0.000 0.453 153 I N 0.685 121.253 120.570 -0.003 0.000 2.068 153 I HA -0.200 3.970 4.170 -0.001 0.000 0.238 153 I C -0.284 175.834 176.117 0.002 0.000 1.046 153 I CA 1.802 63.102 61.300 0.001 0.000 1.306 153 I CB -2.516 35.484 38.000 0.000 0.000 1.023 153 I HN 0.133 nan 8.210 nan 0.000 0.399 154 P HA -0.197 nan 4.420 nan 0.000 0.217 154 P C 1.601 178.902 177.300 0.002 0.000 1.158 154 P CA 1.693 64.794 63.100 0.001 0.000 0.887 154 P CB -0.093 31.607 31.700 0.000 0.000 0.792 155 E N -0.629 119.571 120.200 0.001 0.000 2.051 155 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 155 E C 2.192 178.794 176.600 0.004 0.000 0.991 155 E CA 1.111 57.512 56.400 0.002 0.000 0.799 155 E CB -1.026 28.675 29.700 0.001 0.000 0.748 155 E HN 0.314 nan 8.360 nan 0.000 0.449 156 L N 0.843 122.069 121.223 0.005 0.000 2.191 156 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 156 L C 2.499 179.373 176.870 0.007 0.000 1.103 156 L CA 1.073 55.917 54.840 0.007 0.000 0.769 156 L CB -0.431 41.634 42.059 0.009 0.000 0.908 156 L HN 0.130 nan 8.230 nan 0.000 0.438 157 T N -0.442 114.115 114.554 0.006 0.000 2.668 157 T HA -0.177 4.172 4.350 -0.001 0.000 0.262 157 T C 1.878 176.581 174.700 0.005 0.000 1.045 157 T CA 1.208 63.311 62.100 0.005 0.000 1.152 157 T CB -0.058 68.813 68.868 0.004 0.000 0.864 157 T HN 0.255 nan 8.240 nan 0.000 0.419 158 K N 0.800 121.202 120.400 0.004 0.000 2.113 158 K HA -0.075 4.245 4.320 -0.001 0.000 0.208 158 K C 2.225 178.827 176.600 0.004 0.000 1.047 158 K CA 1.172 57.461 56.287 0.003 0.000 0.928 158 K CB -0.435 32.067 32.500 0.003 0.000 0.716 158 K HN 0.277 nan 8.250 nan 0.000 0.446 159 L N 0.642 121.868 121.223 0.005 0.000 2.056 159 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 159 L C 2.280 179.154 176.870 0.007 0.000 1.078 159 L CA 1.011 55.855 54.840 0.006 0.000 0.749 159 L CB -0.337 41.726 42.059 0.007 0.000 0.901 159 L HN 0.170 nan 8.230 nan 0.000 0.433 160 L N -0.308 120.919 121.223 0.007 0.000 2.191 160 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 160 L C 1.553 178.426 176.870 0.005 0.000 1.103 160 L CA 0.759 55.603 54.840 0.007 0.000 0.769 160 L CB -0.409 41.654 42.059 0.007 0.000 0.908 160 L HN 0.362 nan 8.230 nan 0.000 0.438 161 N N -0.263 118.439 118.700 0.004 0.000 2.362 161 N HA -0.029 4.711 4.740 -0.001 0.000 0.204 161 N C 0.099 175.611 175.510 0.003 0.000 1.166 161 N CA 0.253 53.305 53.050 0.003 0.000 0.831 161 N CB -0.022 38.466 38.487 0.002 0.000 1.008 161 N HN 0.357 nan 8.380 nan 0.000 0.472 162 D N 0.538 120.940 120.400 0.004 0.000 2.312 162 D HA 0.070 4.709 4.640 -0.001 0.000 0.248 162 D C 0.527 176.829 176.300 0.004 0.000 1.086 162 D CA -0.139 53.863 54.000 0.004 0.000 0.948 162 D CB 1.695 42.498 40.800 0.004 0.000 1.162 162 D HN 0.037 nan 8.370 nan 0.000 0.446 163 E N 0.200 120.402 120.200 0.003 0.000 2.230 163 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 163 E C -0.157 176.445 176.600 0.004 0.000 0.987 163 E CA 0.204 56.606 56.400 0.003 0.000 0.841 163 E CB 0.250 29.952 29.700 0.003 0.000 0.783 163 E HN 0.339 nan 8.360 nan 0.000 0.481 164 D N 1.092 121.495 120.400 0.004 0.000 2.470 164 D HA -0.012 4.627 4.640 -0.001 0.000 0.226 164 D C 0.705 177.009 176.300 0.006 0.000 1.196 164 D CA 0.215 54.218 54.000 0.005 0.000 0.979 164 D CB 0.410 41.212 40.800 0.005 0.000 1.059 164 D HN -0.030 nan 8.370 nan 0.000 0.515 165 Q N 1.662 121.466 119.800 0.006 0.000 2.344 165 Q HA -0.182 4.157 4.340 -0.001 0.000 0.212 165 Q C 1.764 177.770 176.000 0.009 0.000 0.991 165 Q CA 0.860 56.668 55.803 0.008 0.000 0.897 165 Q CB 0.129 28.871 28.738 0.007 0.000 0.915 165 Q HN 0.479 nan 8.270 nan 0.000 0.438 166 V N -0.454 119.465 119.914 0.008 0.000 2.667 166 V HA -0.149 3.971 4.120 -0.001 0.000 0.252 166 V C 1.872 177.972 176.094 0.010 0.000 1.065 166 V CA 0.987 63.293 62.300 0.009 0.000 1.083 166 V CB 0.102 31.930 31.823 0.008 0.000 0.692 166 V HN 0.165 nan 8.190 nan 0.000 0.468 167 V N -0.218 119.702 119.914 0.009 0.000 2.283 167 V HA -0.161 3.958 4.120 -0.001 0.000 0.243 167 V C 2.503 178.603 176.094 0.011 0.000 1.039 167 V CA 2.078 64.383 62.300 0.009 0.000 1.016 167 V CB -0.434 31.393 31.823 0.007 0.000 0.650 167 V HN 0.426 nan 8.190 nan 0.000 0.449 168 V N 0.735 120.655 119.914 0.010 0.000 2.287 168 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 168 V C 2.155 178.259 176.094 0.016 0.000 1.053 168 V CA 2.533 64.840 62.300 0.012 0.000 1.027 168 V CB -1.113 30.716 31.823 0.010 0.000 0.646 168 V HN 0.621 nan 8.190 nan 0.000 0.447 169 N N -0.149 118.560 118.700 0.016 0.000 2.061 169 N HA -0.245 4.495 4.740 -0.001 0.000 0.193 169 N C 1.903 177.428 175.510 0.024 0.000 1.030 169 N CA 1.574 54.637 53.050 0.021 0.000 0.856 169 N CB -0.193 38.305 38.487 0.019 0.000 1.023 169 N HN 0.529 nan 8.380 nan 0.000 0.424 170 K N 0.848 121.260 120.400 0.020 0.000 2.026 170 K HA -0.080 4.240 4.320 -0.001 0.000 0.208 170 K C 2.272 178.885 176.600 0.023 0.000 1.048 170 K CA 1.122 57.420 56.287 0.020 0.000 0.929 170 K CB -0.175 32.334 32.500 0.014 0.000 0.713 170 K HN 0.153 nan 8.250 nan 0.000 0.439 171 A N 1.808 124.640 122.820 0.020 0.000 1.892 171 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 171 A C 2.433 180.035 177.584 0.029 0.000 1.188 171 A CA 2.152 54.201 52.037 0.020 0.000 0.631 171 A CB -0.908 18.101 19.000 0.016 0.000 0.822 171 A HN 0.364 nan 8.150 nan 0.000 0.447 172 A N -0.663 122.176 122.820 0.032 0.000 1.948 172 A HA -0.073 4.246 4.320 -0.001 0.000 0.220 172 A C 2.245 179.873 177.584 0.072 0.000 1.177 172 A CA 2.049 54.111 52.037 0.042 0.000 0.636 172 A CB -1.019 18.002 19.000 0.035 0.000 0.815 172 A HN 0.479 nan 8.150 nan 0.000 0.449 173 V N -0.521 119.433 119.914 0.067 0.000 2.295 173 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 173 V C 2.558 178.690 176.094 0.063 0.000 1.049 173 V CA 2.235 64.582 62.300 0.077 0.000 1.024 173 V CB -0.652 31.199 31.823 0.046 0.000 0.648 173 V HN 0.675 nan 8.190 nan 0.000 0.447 174 M N -0.358 119.267 119.600 0.042 0.000 2.132 174 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 174 M C 2.190 178.517 176.300 0.044 0.000 1.065 174 M CA 1.729 57.047 55.300 0.029 0.000 1.122 174 M CB -0.105 32.506 32.600 0.019 0.000 1.365 174 M HN 0.252 nan 8.290 nan 0.000 0.411 175 V N -0.208 119.739 119.914 0.055 0.000 2.252 175 V HA -0.385 3.735 4.120 -0.001 0.000 0.249 175 V C 2.288 178.448 176.094 0.111 0.000 1.056 175 V CA 2.532 64.869 62.300 0.062 0.000 1.022 175 V CB -1.309 30.543 31.823 0.047 0.000 0.641 175 V HN 0.624 nan 8.190 nan 0.000 0.445 176 H N -0.597 118.473 119.070 -0.000 0.000 2.319 176 H HA -0.280 4.276 4.556 -0.001 0.000 0.297 176 H C 2.535 177.865 175.328 0.003 0.000 1.097 176 H CA 2.101 58.146 56.048 -0.005 0.000 1.285 176 H CB 0.166 29.924 29.762 -0.006 0.000 1.368 176 H HN 0.480 nan 8.280 nan 0.000 0.495 177 Q N -0.045 119.767 119.800 0.020 0.000 2.030 177 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 177 Q C 2.410 178.413 176.000 0.005 0.000 0.986 177 Q CA 1.481 57.249 55.803 -0.059 0.000 0.843 177 Q CB 0.106 28.815 28.738 -0.047 0.000 0.904 177 Q HN 0.427 nan 8.270 nan 0.000 0.420 178 L N 0.722 121.963 121.223 0.029 0.000 2.042 178 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 178 L C 2.582 179.483 176.870 0.051 0.000 1.076 178 L CA 2.201 57.059 54.840 0.029 0.000 0.749 178 L CB -1.710 40.364 42.059 0.024 0.000 0.893 178 L HN 0.409 nan 8.230 nan 0.000 0.432 179 S N -1.084 114.666 115.700 0.083 0.000 2.537 179 S HA -0.172 4.298 4.470 -0.001 0.000 0.240 179 S C 1.713 176.383 174.600 0.117 0.000 0.981 179 S CA 0.781 59.044 58.200 0.104 0.000 0.948 179 S CB -0.263 63.013 63.200 0.126 0.000 0.759 179 S HN 0.454 nan 8.310 nan 0.000 0.531 180 K N 0.216 120.672 120.400 0.093 0.000 2.314 180 K HA 0.151 4.471 4.320 -0.001 0.000 0.198 180 K C -0.253 176.392 176.600 0.075 0.000 1.045 180 K CA 0.492 56.826 56.287 0.079 0.000 0.988 180 K CB 0.120 32.638 32.500 0.030 0.000 0.783 180 K HN 0.236 nan 8.250 nan 0.000 0.484 181 K N 1.266 121.706 120.400 0.067 0.000 2.213 181 K HA 0.082 4.402 4.320 -0.001 0.000 0.270 181 K C 0.347 177.012 176.600 0.109 0.000 1.002 181 K CA -0.147 56.185 56.287 0.075 0.000 0.868 181 K CB 1.598 34.123 32.500 0.041 0.000 1.093 181 K HN -0.024 nan 8.250 nan 0.000 0.454 182 E N 2.417 122.721 120.200 0.172 0.000 2.171 182 E HA -0.305 4.044 4.350 -0.001 0.000 0.197 182 E C 1.225 177.972 176.600 0.245 0.000 0.997 182 E CA 1.612 58.172 56.400 0.267 0.000 0.810 182 E CB 0.180 30.086 29.700 0.342 0.000 0.738 182 E HN 0.707 nan 8.360 nan 0.000 0.467 183 A N 0.168 123.002 122.820 0.024 0.000 1.872 183 A HA -0.098 4.222 4.320 -0.001 0.000 0.214 183 A C 2.332 179.835 177.584 -0.136 0.000 1.187 183 A CA 1.463 53.287 52.037 -0.355 0.000 0.614 183 A CB -0.359 18.262 19.000 -0.633 0.000 0.826 183 A HN 0.258 nan 8.150 nan 0.000 0.442 184 S N -0.476 115.192 115.700 -0.054 0.000 2.382 184 S HA -0.155 4.314 4.470 -0.001 0.000 0.228 184 S C 2.013 176.624 174.600 0.019 0.000 1.027 184 S CA 1.471 59.659 58.200 -0.020 0.000 0.991 184 S CB -0.328 62.871 63.200 -0.001 0.000 0.823 184 S HN 0.632 nan 8.310 nan 0.000 0.469 185 R N 1.026 121.559 120.500 0.056 0.000 2.097 185 R HA -0.180 4.159 4.340 -0.001 0.000 0.236 185 R C 2.060 178.350 176.300 -0.018 0.000 1.135 185 R CA 2.011 58.136 56.100 0.040 0.000 0.934 185 R CB -0.698 29.642 30.300 0.067 0.000 0.846 185 R HN 0.442 nan 8.270 nan 0.000 0.431 186 H N -0.411 118.608 119.070 -0.085 0.000 2.390 186 H HA -0.058 4.498 4.556 -0.001 0.000 0.298 186 H C 1.841 177.134 175.328 -0.058 0.000 1.106 186 H CA 1.792 57.784 56.048 -0.094 0.000 1.297 186 H CB -0.442 29.262 29.762 -0.097 0.000 1.375 186 H HN 0.474 nan 8.280 nan 0.000 0.509 187 A N 0.790 123.645 122.820 0.058 0.000 1.883 187 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 187 A C 2.417 180.007 177.584 0.010 0.000 1.186 187 A CA 1.835 53.883 52.037 0.018 0.000 0.624 187 A CB -0.814 18.181 19.000 -0.007 0.000 0.822 187 A HN 0.388 nan 8.150 nan 0.000 0.444 188 I N -0.667 119.906 120.570 0.006 0.000 2.163 188 I HA -0.339 3.831 4.170 -0.001 0.000 0.243 188 I C 2.749 178.865 176.117 -0.001 0.000 1.085 188 I CA 1.850 63.153 61.300 0.004 0.000 1.347 188 I CB -0.505 37.500 38.000 0.008 0.000 1.044 188 I HN 0.357 nan 8.210 nan 0.000 0.408 189 M N 0.198 119.786 119.600 -0.020 0.000 2.149 189 M HA -0.184 4.296 4.480 -0.001 0.000 0.261 189 M C 1.881 178.179 176.300 -0.004 0.000 1.064 189 M CA 1.702 56.988 55.300 -0.024 0.000 1.102 189 M CB -0.572 31.979 32.600 -0.081 0.000 1.369 189 M HN 0.136 nan 8.290 nan 0.000 0.408 190 R N 0.064 120.566 120.500 0.003 0.000 2.340 190 R HA 0.087 4.426 4.340 -0.001 0.000 0.215 190 R C 0.357 176.665 176.300 0.013 0.000 1.017 190 R CA 0.045 56.154 56.100 0.015 0.000 1.111 190 R CB -0.177 30.139 30.300 0.027 0.000 1.049 190 R HN 0.067 nan 8.270 nan 0.000 0.490 191 S N 1.118 116.824 115.700 0.010 0.000 2.542 191 S HA 0.238 4.708 4.470 -0.001 0.000 0.245 191 S C -1.675 172.931 174.600 0.011 0.000 1.325 191 S CA -1.818 56.388 58.200 0.010 0.000 1.176 191 S CB 0.987 64.192 63.200 0.007 0.000 1.045 191 S HN -0.027 nan 8.310 nan 0.000 0.481 192 P HA -0.240 nan 4.420 nan 0.000 0.217 192 P C 1.058 178.364 177.300 0.010 0.000 1.151 192 P CA 1.400 64.509 63.100 0.015 0.000 0.849 192 P CB 0.216 31.926 31.700 0.017 0.000 0.787 193 Q N -1.500 118.305 119.800 0.008 0.000 2.123 193 Q HA -0.107 4.233 4.340 -0.001 0.000 0.199 193 Q C 2.377 178.380 176.000 0.005 0.000 0.966 193 Q CA 1.178 56.985 55.803 0.006 0.000 0.845 193 Q CB -0.507 28.234 28.738 0.005 0.000 0.907 193 Q HN 0.144 nan 8.270 nan 0.000 0.439 194 M N 0.544 120.148 119.600 0.006 0.000 2.059 194 M HA -0.137 4.342 4.480 -0.001 0.000 0.259 194 M C 1.973 178.276 176.300 0.005 0.000 1.072 194 M CA 1.637 56.940 55.300 0.006 0.000 1.117 194 M CB -0.555 32.049 32.600 0.007 0.000 1.320 194 M HN 0.004 nan 8.290 nan 0.000 0.408 195 V N -0.432 119.486 119.914 0.007 0.000 2.332 195 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 195 V C 2.578 178.673 176.094 0.003 0.000 1.055 195 V CA 2.067 64.371 62.300 0.006 0.000 1.038 195 V CB -1.428 30.402 31.823 0.012 0.000 0.651 195 V HN 0.682 nan 8.190 nan 0.000 0.450 196 S N -0.473 115.228 115.700 0.002 0.000 2.370 196 S HA -0.211 4.258 4.470 -0.001 0.000 0.226 196 S C 2.164 176.762 174.600 -0.004 0.000 1.033 196 S CA 1.633 59.831 58.200 -0.002 0.000 1.011 196 S CB -0.353 62.846 63.200 -0.001 0.000 0.852 196 S HN 0.647 nan 8.310 nan 0.000 0.457 197 A N 1.484 124.303 122.820 -0.001 0.000 1.877 197 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 197 A C 2.076 179.659 177.584 -0.001 0.000 1.186 197 A CA 1.590 53.626 52.037 -0.000 0.000 0.620 197 A CB -0.865 18.137 19.000 0.002 0.000 0.822 197 A HN 0.605 nan 8.150 nan 0.000 0.443 198 I N -0.398 120.171 120.570 -0.002 0.000 2.151 198 I HA -0.271 3.898 4.170 -0.001 0.000 0.243 198 I C 2.385 178.497 176.117 -0.008 0.000 1.080 198 I CA 1.417 62.714 61.300 -0.005 0.000 1.339 198 I CB -0.537 37.458 38.000 -0.008 0.000 1.039 198 I HN 0.175 nan 8.210 nan 0.000 0.409 199 V N 0.827 120.736 119.914 -0.008 0.000 2.220 199 V HA -0.299 3.821 4.120 -0.001 0.000 0.246 199 V C 2.589 178.678 176.094 -0.009 0.000 1.049 199 V CA 1.926 64.220 62.300 -0.010 0.000 1.003 199 V CB -0.798 31.017 31.823 -0.015 0.000 0.634 199 V HN 0.359 nan 8.190 nan 0.000 0.444 200 R N -0.252 120.242 120.500 -0.009 0.000 2.133 200 R HA -0.232 4.108 4.340 -0.001 0.000 0.245 200 R C 2.365 178.663 176.300 -0.003 0.000 1.137 200 R CA 2.313 58.409 56.100 -0.007 0.000 0.947 200 R CB -1.139 29.158 30.300 -0.006 0.000 0.865 200 R HN 0.538 nan 8.270 nan 0.000 0.437 201 T N 1.483 116.037 114.554 -0.001 0.000 2.665 201 T HA -0.232 4.118 4.350 -0.001 0.000 0.268 201 T C 1.733 176.435 174.700 0.004 0.000 1.035 201 T CA 1.794 63.896 62.100 0.002 0.000 1.151 201 T CB -0.213 68.657 68.868 0.003 0.000 0.862 201 T HN 0.312 nan 8.240 nan 0.000 0.438 202 M N 1.272 120.872 119.600 0.001 0.000 2.108 202 M HA -0.217 4.262 4.480 -0.001 0.000 0.261 202 M C 2.423 178.729 176.300 0.009 0.000 1.066 202 M CA 1.889 57.192 55.300 0.005 0.000 1.107 202 M CB -0.216 32.385 32.600 0.002 0.000 1.356 202 M HN 0.381 nan 8.290 nan 0.000 0.406 203 Q N -1.332 118.471 119.800 0.005 0.000 2.389 203 Q HA -0.021 4.319 4.340 -0.001 0.000 0.204 203 Q C 0.771 176.774 176.000 0.004 0.000 0.944 203 Q CA 1.029 56.835 55.803 0.005 0.000 0.908 203 Q CB -0.049 28.689 28.738 -0.001 0.000 1.002 203 Q HN 0.495 nan 8.270 nan 0.000 0.493 204 N N 0.263 118.965 118.700 0.004 0.000 2.250 204 N HA 0.023 4.763 4.740 -0.001 0.000 0.190 204 N C -0.081 175.433 175.510 0.006 0.000 1.116 204 N CA 0.445 53.497 53.050 0.004 0.000 0.881 204 N CB 0.816 39.304 38.487 0.002 0.000 1.006 204 N HN 0.190 nan 8.380 nan 0.000 0.491 205 T N 0.475 115.034 114.554 0.008 0.000 2.900 205 T HA 0.099 4.449 4.350 -0.001 0.000 0.307 205 T C 0.865 175.572 174.700 0.012 0.000 1.065 205 T CA 0.147 62.254 62.100 0.011 0.000 1.105 205 T CB 0.535 69.411 68.868 0.014 0.000 0.979 205 T HN 0.005 nan 8.240 nan 0.000 0.544 206 N N 2.012 120.719 118.700 0.012 0.000 2.187 206 N HA 0.111 4.850 4.740 -0.001 0.000 0.212 206 N C -0.802 174.716 175.510 0.013 0.000 1.152 206 N CA -0.080 52.977 53.050 0.011 0.000 0.872 206 N CB 0.467 38.959 38.487 0.009 0.000 1.025 206 N HN 0.680 nan 8.380 nan 0.000 0.514 207 D N 0.706 121.116 120.400 0.016 0.000 2.329 207 D HA 0.095 4.734 4.640 -0.001 0.000 0.232 207 D C 1.793 178.107 176.300 0.024 0.000 1.088 207 D CA -0.588 53.423 54.000 0.019 0.000 0.835 207 D CB 1.521 42.333 40.800 0.019 0.000 1.078 207 D HN -0.103 nan 8.370 nan 0.000 0.495 208 V N 2.639 122.567 119.914 0.023 0.000 2.231 208 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 208 V C 2.089 178.208 176.094 0.042 0.000 1.054 208 V CA 2.040 64.357 62.300 0.029 0.000 1.015 208 V CB -1.153 30.683 31.823 0.022 0.000 0.638 208 V HN 0.623 nan 8.190 nan 0.000 0.444 209 E N 1.029 121.254 120.200 0.041 0.000 2.208 209 E HA -0.216 4.134 4.350 -0.001 0.000 0.202 209 E C 2.044 178.683 176.600 0.065 0.000 1.014 209 E CA 2.525 58.958 56.400 0.055 0.000 0.819 209 E CB -0.944 28.783 29.700 0.045 0.000 0.735 209 E HN 0.764 nan 8.360 nan 0.000 0.469 210 T N -0.335 114.248 114.554 0.048 0.000 2.732 210 T HA 0.002 4.352 4.350 -0.001 0.000 0.261 210 T C 1.792 176.514 174.700 0.038 0.000 1.040 210 T CA 1.488 63.614 62.100 0.042 0.000 1.145 210 T CB -0.580 68.306 68.868 0.030 0.000 0.866 210 T HN 0.370 nan 8.240 nan 0.000 0.427 211 A N 1.838 124.682 122.820 0.040 0.000 1.917 211 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 211 A C 2.282 179.906 177.584 0.067 0.000 1.182 211 A CA 1.959 54.023 52.037 0.044 0.000 0.633 211 A CB -0.644 18.384 19.000 0.046 0.000 0.819 211 A HN 0.400 nan 8.150 nan 0.000 0.448 212 R N -0.891 119.665 120.500 0.093 0.000 2.081 212 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 212 R C 2.212 178.566 176.300 0.091 0.000 1.131 212 R CA 1.978 58.177 56.100 0.166 0.000 0.960 212 R CB -0.599 29.799 30.300 0.163 0.000 0.856 212 R HN 0.598 nan 8.270 nan 0.000 0.436 213 C N -0.207 119.116 119.300 0.038 0.000 2.476 213 C HA -0.059 4.401 4.460 -0.001 0.000 0.278 213 C C 2.948 177.767 174.990 -0.286 0.000 1.274 213 C CA 1.376 60.335 59.018 -0.100 0.000 1.713 213 C CB -0.819 26.997 27.740 0.126 0.000 2.039 213 C HN 0.732 nan 8.230 nan 0.000 0.484 214 T N 0.771 115.257 114.554 -0.113 0.000 2.652 214 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 214 T C 1.966 176.575 174.700 -0.151 0.000 1.039 214 T CA 1.916 63.955 62.100 -0.102 0.000 1.153 214 T CB -0.753 68.094 68.868 -0.035 0.000 0.863 214 T HN 0.492 nan 8.240 nan 0.000 0.428 215 A N 1.876 124.632 122.820 -0.106 0.000 1.940 215 A HA 0.192 4.511 4.320 -0.001 0.000 0.219 215 A C 2.752 180.132 177.584 -0.340 0.000 1.176 215 A CA 1.862 53.853 52.037 -0.077 0.000 0.631 215 A CB -1.653 17.409 19.000 0.104 0.000 0.814 215 A HN 0.676 nan 8.150 nan 0.000 0.446 216 G N -1.237 107.103 108.800 -0.768 0.000 2.408 216 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.217 216 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.217 216 G C 1.561 176.068 174.900 -0.655 0.000 1.150 216 G CA 1.590 45.828 45.100 -1.436 0.000 0.776 216 G HN 0.429 nan 8.290 nan 0.000 0.542 217 T N 1.616 115.861 114.554 -0.515 0.000 2.652 217 T HA -0.091 4.259 4.350 -0.001 0.000 0.267 217 T C 2.421 177.078 174.700 -0.072 0.000 1.039 217 T CA 1.116 63.100 62.100 -0.192 0.000 1.153 217 T CB -0.295 68.498 68.868 -0.126 0.000 0.863 217 T HN 0.151 nan 8.240 nan 0.000 0.428 218 L N 0.436 121.613 121.223 -0.078 0.000 2.042 218 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 218 L C 2.701 179.582 176.870 0.018 0.000 1.076 218 L CA 1.682 56.513 54.840 -0.016 0.000 0.749 218 L CB -0.854 41.199 42.059 -0.010 0.000 0.893 218 L HN 0.468 nan 8.230 nan 0.000 0.432 219 H N 1.127 120.148 119.070 -0.082 0.000 2.319 219 H HA -0.203 4.353 4.556 -0.001 0.000 0.297 219 H C 1.922 177.345 175.328 0.158 0.000 1.097 219 H CA 2.249 58.311 56.048 0.023 0.000 1.285 219 H CB -0.005 29.721 29.762 -0.059 0.000 1.368 219 H HN 0.385 nan 8.280 nan 0.000 0.495 220 N N 0.902 119.719 118.700 0.195 0.000 2.120 220 N HA -0.111 4.629 4.740 -0.001 0.000 0.188 220 N C 2.485 178.100 175.510 0.174 0.000 1.024 220 N CA 1.034 54.202 53.050 0.198 0.000 0.852 220 N CB -0.441 38.149 38.487 0.171 0.000 1.003 220 N HN 0.392 nan 8.380 nan 0.000 0.424 221 L N 0.747 122.038 121.223 0.113 0.000 2.083 221 L HA -0.097 4.243 4.340 -0.001 0.000 0.209 221 L C 2.389 179.302 176.870 0.073 0.000 1.083 221 L CA 0.821 55.730 54.840 0.115 0.000 0.752 221 L CB -0.617 41.475 42.059 0.055 0.000 0.899 221 L HN 0.151 nan 8.230 nan 0.000 0.433 222 S N -0.584 115.112 115.700 -0.006 0.000 2.484 222 S HA -0.236 4.233 4.470 -0.001 0.000 0.250 222 S C 1.466 175.890 174.600 -0.294 0.000 0.995 222 S CA 1.293 59.408 58.200 -0.142 0.000 0.967 222 S CB -0.461 62.594 63.200 -0.240 0.000 0.752 222 S HN 0.561 nan 8.310 nan 0.000 0.517 223 H N -0.107 118.813 119.070 -0.251 0.000 2.529 223 H HA 0.349 4.905 4.556 -0.001 0.000 0.277 223 H C -0.010 174.976 175.328 -0.569 0.000 1.004 223 H CA 0.195 56.007 56.048 -0.392 0.000 1.167 223 H CB 0.136 29.634 29.762 -0.440 0.000 1.445 223 H HN 0.442 nan 8.280 nan 0.000 0.554 224 H N -0.614 118.447 119.070 -0.014 0.000 2.600 224 H HA 0.219 4.775 4.556 -0.001 0.000 0.357 224 H C 0.881 176.173 175.328 -0.060 0.000 1.106 224 H CA -0.539 55.481 56.048 -0.046 0.000 1.193 224 H CB 2.070 31.773 29.762 -0.100 0.000 1.594 224 H HN 0.130 nan 8.280 nan 0.000 0.526 225 R N 1.562 122.092 120.500 0.050 0.000 2.103 225 R HA -0.188 4.152 4.340 -0.001 0.000 0.242 225 R C 0.846 177.161 176.300 0.024 0.000 1.142 225 R CA 2.144 58.248 56.100 0.007 0.000 0.960 225 R CB 0.239 30.536 30.300 -0.006 0.000 0.858 225 R HN 0.573 nan 8.270 nan 0.000 0.439 226 E N -0.717 119.508 120.200 0.041 0.000 2.085 226 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 226 E C 1.891 178.504 176.600 0.021 0.000 0.994 226 E CA 1.457 57.870 56.400 0.021 0.000 0.801 226 E CB -0.495 29.205 29.700 -0.001 0.000 0.743 226 E HN 0.586 nan 8.360 nan 0.000 0.453 227 G N 0.569 109.392 108.800 0.040 0.000 2.394 227 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.215 227 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.215 227 G C 1.560 176.483 174.900 0.038 0.000 1.165 227 G CA 0.436 45.559 45.100 0.040 0.000 0.784 227 G HN 0.141 nan 8.290 nan 0.000 0.535 228 L N -0.247 120.992 121.223 0.027 0.000 2.042 228 L HA -0.093 4.246 4.340 -0.001 0.000 0.210 228 L C 2.713 179.624 176.870 0.067 0.000 1.076 228 L CA 0.864 55.723 54.840 0.031 0.000 0.749 228 L CB -0.353 41.712 42.059 0.009 0.000 0.893 228 L HN 0.264 nan 8.230 nan 0.000 0.432 229 L N -0.296 120.952 121.223 0.041 0.000 2.093 229 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 229 L C 2.584 179.525 176.870 0.118 0.000 1.085 229 L CA 1.867 56.738 54.840 0.052 0.000 0.755 229 L CB -0.549 41.514 42.059 0.006 0.000 0.904 229 L HN 0.141 nan 8.230 nan 0.000 0.435 230 A N 0.027 122.894 122.820 0.078 0.000 1.858 230 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 230 A C 2.256 179.889 177.584 0.082 0.000 1.190 230 A CA 2.138 54.217 52.037 0.069 0.000 0.617 230 A CB -0.940 18.083 19.000 0.039 0.000 0.827 230 A HN 0.496 nan 8.150 nan 0.000 0.443 231 I N -1.876 118.742 120.570 0.080 0.000 2.151 231 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 231 I C 2.397 178.568 176.117 0.089 0.000 1.080 231 I CA 1.924 63.264 61.300 0.066 0.000 1.339 231 I CB -0.425 37.611 38.000 0.059 0.000 1.039 231 I HN 0.459 nan 8.210 nan 0.000 0.409 232 F N 1.948 121.893 119.950 -0.007 0.000 2.069 232 F HA -0.261 4.266 4.527 -0.001 0.000 0.298 232 F C 2.531 178.328 175.800 -0.005 0.000 1.113 232 F CA 1.846 59.841 58.000 -0.007 0.000 1.214 232 F CB -0.196 38.799 39.000 -0.008 0.000 0.978 232 F HN -0.163 nan 8.300 nan 0.000 0.474 233 K N -0.381 120.176 120.400 0.262 0.000 2.147 233 K HA -0.109 4.210 4.320 -0.001 0.000 0.205 233 K C 1.853 178.459 176.600 0.009 0.000 1.049 233 K CA 1.425 57.795 56.287 0.139 0.000 0.936 233 K CB -0.322 32.262 32.500 0.141 0.000 0.722 233 K HN 0.160 nan 8.250 nan 0.000 0.446 234 S N -0.058 115.642 115.700 0.001 0.000 2.607 234 S HA 0.058 4.528 4.470 -0.001 0.000 0.224 234 S C 0.921 175.486 174.600 -0.059 0.000 0.969 234 S CA 0.619 58.806 58.200 -0.021 0.000 0.927 234 S CB 0.303 63.501 63.200 -0.004 0.000 0.772 234 S HN 0.591 nan 8.310 nan 0.000 0.533 235 G N 1.045 109.772 108.800 -0.123 0.000 2.198 235 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.257 235 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.257 235 G C 0.748 175.581 174.900 -0.113 0.000 1.042 235 G CA 0.206 45.215 45.100 -0.152 0.000 0.791 235 G HN 0.607 nan 8.290 nan 0.000 0.502 236 G N -0.088 108.654 108.800 -0.097 0.000 2.421 236 G HA2 0.055 4.015 3.960 -0.001 0.000 0.217 236 G HA3 0.055 4.015 3.960 -0.001 0.000 0.217 236 G C 1.806 176.674 174.900 -0.053 0.000 1.143 236 G CA 1.057 46.126 45.100 -0.052 0.000 0.784 236 G HN 0.594 nan 8.290 nan 0.000 0.541 237 I N 1.838 122.355 120.570 -0.088 0.000 2.118 237 I HA -0.163 4.007 4.170 -0.001 0.000 0.241 237 I C 0.143 176.229 176.117 -0.051 0.000 1.070 237 I CA 1.535 62.797 61.300 -0.064 0.000 1.327 237 I CB -1.049 36.893 38.000 -0.097 0.000 1.034 237 I HN 0.189 nan 8.210 nan 0.000 0.405 238 P HA -0.128 nan 4.420 nan 0.000 0.219 238 P C 1.407 178.691 177.300 -0.026 0.000 1.150 238 P CA 1.827 64.900 63.100 -0.045 0.000 0.814 238 P CB -0.007 31.659 31.700 -0.056 0.000 0.787 239 A N 0.181 122.985 122.820 -0.027 0.000 1.930 239 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 239 A C 2.415 180.002 177.584 0.004 0.000 1.175 239 A CA 1.169 53.199 52.037 -0.011 0.000 0.627 239 A CB -1.524 17.467 19.000 -0.014 0.000 0.815 239 A HN 0.115 nan 8.150 nan 0.000 0.443 240 L N -0.701 120.526 121.223 0.006 0.000 2.109 240 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 240 L C 2.514 179.403 176.870 0.030 0.000 1.086 240 L CA 0.817 55.673 54.840 0.027 0.000 0.760 240 L CB -0.483 41.593 42.059 0.029 0.000 0.910 240 L HN 0.243 nan 8.230 nan 0.000 0.437 241 V N 0.208 120.131 119.914 0.016 0.000 2.295 241 V HA -0.325 3.795 4.120 -0.001 0.000 0.246 241 V C 2.581 178.688 176.094 0.022 0.000 1.049 241 V CA 1.905 64.215 62.300 0.017 0.000 1.024 241 V CB -0.557 31.269 31.823 0.004 0.000 0.648 241 V HN 0.457 nan 8.190 nan 0.000 0.447 242 K N -0.403 120.006 120.400 0.014 0.000 2.074 242 K HA -0.250 4.070 4.320 -0.001 0.000 0.209 242 K C 2.148 178.764 176.600 0.027 0.000 1.048 242 K CA 1.839 58.136 56.287 0.016 0.000 0.926 242 K CB -0.179 32.326 32.500 0.009 0.000 0.713 242 K HN 0.258 nan 8.250 nan 0.000 0.444 243 M N 0.864 120.485 119.600 0.035 0.000 2.346 243 M HA -0.134 4.345 4.480 -0.001 0.000 0.263 243 M C 1.901 178.236 176.300 0.059 0.000 1.064 243 M CA 1.138 56.467 55.300 0.049 0.000 1.083 243 M CB -0.709 31.929 32.600 0.065 0.000 1.399 243 M HN 0.216 nan 8.290 nan 0.000 0.435 244 L N -0.689 120.570 121.223 0.060 0.000 2.642 244 L HA -0.099 4.240 4.340 -0.001 0.000 0.236 244 L C 2.126 179.032 176.870 0.060 0.000 1.169 244 L CA 0.543 55.428 54.840 0.075 0.000 0.851 244 L CB -0.869 41.231 42.059 0.068 0.000 0.968 244 L HN 0.369 nan 8.230 nan 0.000 0.453 245 G N -1.563 107.262 108.800 0.042 0.000 2.887 245 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.211 245 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.211 245 G C 0.742 175.656 174.900 0.023 0.000 1.152 245 G CA -0.021 45.097 45.100 0.030 0.000 0.769 245 G HN 0.242 nan 8.290 nan 0.000 0.541 246 S N 0.936 116.652 115.700 0.026 0.000 2.558 246 S HA 0.171 4.640 4.470 -0.001 0.000 0.293 246 S C -1.020 173.581 174.600 0.002 0.000 1.292 246 S CA -0.613 57.598 58.200 0.018 0.000 1.063 246 S CB 1.470 64.687 63.200 0.029 0.000 0.831 246 S HN 0.006 nan 8.310 nan 0.000 0.499 247 P HA 0.096 nan 4.420 nan 0.000 0.230 247 P C -0.420 176.861 177.300 -0.032 0.000 1.168 247 P CA 0.139 63.228 63.100 -0.018 0.000 0.793 247 P CB 0.070 31.763 31.700 -0.012 0.000 0.851 248 V N 2.450 122.351 119.914 -0.021 0.000 2.425 248 V HA -0.068 4.052 4.120 -0.001 0.000 0.276 248 V C 1.412 177.473 176.094 -0.055 0.000 1.017 248 V CA 0.674 62.956 62.300 -0.029 0.000 1.062 248 V CB -0.221 31.599 31.823 -0.005 0.000 0.997 248 V HN 0.129 nan 8.190 nan 0.000 0.476 249 D N 3.520 123.866 120.400 -0.089 0.000 2.133 249 D HA -0.181 4.459 4.640 -0.001 0.000 0.195 249 D C 2.255 178.479 176.300 -0.127 0.000 0.997 249 D CA 1.979 55.898 54.000 -0.135 0.000 0.840 249 D CB 0.006 40.714 40.800 -0.153 0.000 0.947 249 D HN 0.770 nan 8.370 nan 0.000 0.452 250 S N 0.395 116.007 115.700 -0.147 0.000 2.383 250 S HA -0.137 4.333 4.470 -0.001 0.000 0.229 250 S C 2.317 176.785 174.600 -0.219 0.000 1.030 250 S CA 1.022 59.061 58.200 -0.270 0.000 1.002 250 S CB -0.762 62.294 63.200 -0.239 0.000 0.829 250 S HN 0.101 nan 8.310 nan 0.000 0.467 251 V N 2.137 122.043 119.914 -0.014 0.000 2.358 251 V HA -0.088 4.031 4.120 -0.001 0.000 0.246 251 V C 2.543 178.718 176.094 0.134 0.000 1.047 251 V CA 1.639 64.013 62.300 0.123 0.000 1.035 251 V CB -0.839 31.041 31.823 0.094 0.000 0.658 251 V HN 0.450 nan 8.190 nan 0.000 0.452 252 L N -1.542 119.721 121.223 0.067 0.000 2.017 252 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 252 L C 2.372 179.380 176.870 0.230 0.000 1.073 252 L CA 1.849 56.754 54.840 0.108 0.000 0.745 252 L CB -0.622 41.402 42.059 -0.058 0.000 0.894 252 L HN 0.267 nan 8.230 nan 0.000 0.432 253 F N -0.278 119.688 119.950 0.026 0.000 2.069 253 F HA -0.300 4.226 4.527 -0.001 0.000 0.298 253 F C 2.461 178.378 175.800 0.196 0.000 1.113 253 F CA 1.659 59.732 58.000 0.121 0.000 1.214 253 F CB -0.539 38.409 39.000 -0.087 0.000 0.978 253 F HN -0.065 nan 8.300 nan 0.000 0.474 254 Y N -0.480 119.998 120.300 0.296 0.000 2.053 254 Y HA -0.376 4.174 4.550 -0.001 0.000 0.277 254 Y C 2.643 178.666 175.900 0.205 0.000 1.159 254 Y CA 0.804 59.044 58.100 0.233 0.000 1.125 254 Y CB -1.024 37.513 38.460 0.128 0.000 0.969 254 Y HN 0.160 nan 8.280 nan 0.000 0.492 255 A N 0.352 123.366 122.820 0.323 0.000 1.849 255 A HA -0.296 4.023 4.320 -0.001 0.000 0.217 255 A C 2.137 179.804 177.584 0.139 0.000 1.202 255 A CA 2.188 54.341 52.037 0.194 0.000 0.629 255 A CB -1.206 17.887 19.000 0.154 0.000 0.834 255 A HN 0.475 nan 8.150 nan 0.000 0.447 256 I N -0.178 120.463 120.570 0.118 0.000 2.208 256 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 256 I C 2.483 178.588 176.117 -0.021 0.000 1.097 256 I CA 2.485 63.789 61.300 0.007 0.000 1.363 256 I CB -0.652 37.291 38.000 -0.094 0.000 1.051 256 I HN 0.381 nan 8.210 nan 0.000 0.413 257 T N -0.193 114.362 114.554 0.001 0.000 2.684 257 T HA -0.186 4.164 4.350 -0.001 0.000 0.267 257 T C 1.798 176.551 174.700 0.089 0.000 1.036 257 T CA 2.169 64.302 62.100 0.055 0.000 1.148 257 T CB -0.617 68.395 68.868 0.240 0.000 0.863 257 T HN 0.431 nan 8.240 nan 0.000 0.436 258 T N 2.641 117.261 114.554 0.110 0.000 2.622 258 T HA -0.009 4.341 4.350 -0.001 0.000 0.266 258 T C 2.031 176.744 174.700 0.023 0.000 1.047 258 T CA 1.040 63.159 62.100 0.031 0.000 1.159 258 T CB -0.648 68.260 68.868 0.067 0.000 0.863 258 T HN 0.237 nan 8.240 nan 0.000 0.422 259 L N 0.240 121.491 121.223 0.045 0.000 2.081 259 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 259 L C 2.645 179.533 176.870 0.030 0.000 1.080 259 L CA 1.628 56.488 54.840 0.033 0.000 0.754 259 L CB -0.734 41.343 42.059 0.030 0.000 0.893 259 L HN 0.484 nan 8.230 nan 0.000 0.433 260 H N 0.238 119.265 119.070 -0.072 0.000 2.321 260 H HA -0.154 4.402 4.556 -0.001 0.000 0.300 260 H C 2.012 177.282 175.328 -0.097 0.000 1.087 260 H CA 1.616 57.606 56.048 -0.096 0.000 1.319 260 H CB 0.295 29.991 29.762 -0.109 0.000 1.379 260 H HN 0.380 nan 8.280 nan 0.000 0.501 261 N N 0.744 119.392 118.700 -0.086 0.000 2.120 261 N HA -0.123 4.617 4.740 -0.001 0.000 0.188 261 N C 2.346 177.803 175.510 -0.089 0.000 1.024 261 N CA 0.696 53.677 53.050 -0.114 0.000 0.852 261 N CB -0.263 38.136 38.487 -0.148 0.000 1.003 261 N HN 0.366 nan 8.380 nan 0.000 0.424 262 L N 0.907 122.093 121.223 -0.061 0.000 1.994 262 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 262 L C 2.308 179.129 176.870 -0.082 0.000 1.071 262 L CA 0.826 55.651 54.840 -0.024 0.000 0.745 262 L CB -0.509 41.572 42.059 0.037 0.000 0.892 262 L HN 0.112 nan 8.230 nan 0.000 0.431 263 L N -0.557 120.600 121.223 -0.110 0.000 2.129 263 L HA -0.264 4.075 4.340 -0.001 0.000 0.212 263 L C 2.375 179.089 176.870 -0.260 0.000 1.087 263 L CA 1.233 55.986 54.840 -0.144 0.000 0.757 263 L CB -0.372 41.614 42.059 -0.122 0.000 0.896 263 L HN 0.340 nan 8.230 nan 0.000 0.434 264 L N -1.874 119.093 121.223 -0.427 0.000 2.307 264 L HA -0.088 4.251 4.340 -0.001 0.000 0.211 264 L C 1.492 177.864 176.870 -0.831 0.000 1.099 264 L CA 0.793 55.214 54.840 -0.698 0.000 0.816 264 L CB -0.052 41.402 42.059 -1.008 0.000 0.952 264 L HN 0.334 nan 8.230 nan 0.000 0.455 265 H N -3.464 115.524 119.070 -0.138 0.000 3.398 265 H HA 0.185 4.741 4.556 -0.001 0.000 0.260 265 H C -0.060 175.201 175.328 -0.112 0.000 1.189 265 H CA -0.303 55.677 56.048 -0.113 0.000 1.145 265 H CB 0.769 30.467 29.762 -0.107 0.000 1.599 265 H HN -0.019 nan 8.280 nan 0.000 0.615 266 Q N 1.978 121.750 119.800 -0.046 0.000 2.348 266 Q HA 0.183 4.522 4.340 -0.001 0.000 0.265 266 Q C -0.745 175.142 176.000 -0.189 0.000 0.998 266 Q CA -0.611 55.121 55.803 -0.118 0.000 0.831 266 Q CB 1.148 29.832 28.738 -0.090 0.000 1.251 266 Q HN 0.302 nan 8.270 nan 0.000 0.456 267 E N 2.521 122.578 120.200 -0.240 0.000 2.415 267 E HA 0.310 4.659 4.350 -0.001 0.000 0.260 267 E C 0.358 176.756 176.600 -0.335 0.000 1.016 267 E CA 1.171 57.436 56.400 -0.224 0.000 0.924 267 E CB -0.018 29.572 29.700 -0.184 0.000 0.961 267 E HN 0.921 nan 8.360 nan 0.000 0.459 268 G N 3.052 111.774 108.800 -0.129 0.000 2.307 268 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.210 268 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.210 268 G C 1.055 176.105 174.900 0.250 0.000 1.005 268 G CA 0.295 45.422 45.100 0.046 0.000 0.634 268 G HN 0.752 nan 8.290 nan 0.000 0.496 269 A N 0.942 123.880 122.820 0.197 0.000 1.873 269 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 269 A C 2.167 179.814 177.584 0.105 0.000 1.193 269 A CA 2.548 54.715 52.037 0.215 0.000 0.629 269 A CB -0.621 18.444 19.000 0.108 0.000 0.826 269 A HN 0.571 nan 8.150 nan 0.000 0.447 270 K N -1.729 118.699 120.400 0.046 0.000 2.034 270 K HA -0.239 4.080 4.320 -0.001 0.000 0.214 270 K C 2.108 178.729 176.600 0.035 0.000 1.051 270 K CA 1.926 58.227 56.287 0.023 0.000 0.931 270 K CB -0.327 32.177 32.500 0.007 0.000 0.715 270 K HN 0.449 nan 8.250 nan 0.000 0.446 271 M N 0.859 120.488 119.600 0.049 0.000 2.117 271 M HA -0.093 4.386 4.480 -0.001 0.000 0.262 271 M C 2.021 178.348 176.300 0.044 0.000 1.065 271 M CA 1.585 56.912 55.300 0.044 0.000 1.114 271 M CB -0.324 32.307 32.600 0.051 0.000 1.361 271 M HN 0.192 nan 8.290 nan 0.000 0.408 272 A N -1.132 121.731 122.820 0.071 0.000 1.877 272 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 272 A C 2.200 179.786 177.584 0.003 0.000 1.186 272 A CA 1.965 54.017 52.037 0.025 0.000 0.620 272 A CB -1.252 17.752 19.000 0.007 0.000 0.822 272 A HN 0.339 nan 8.150 nan 0.000 0.443 273 V N 0.009 119.934 119.914 0.019 0.000 2.295 273 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 273 V C 2.670 178.765 176.094 0.002 0.000 1.049 273 V CA 2.401 64.705 62.300 0.007 0.000 1.024 273 V CB -0.780 31.050 31.823 0.013 0.000 0.648 273 V HN 0.660 nan 8.190 nan 0.000 0.447 274 R N -0.243 120.261 120.500 0.007 0.000 2.082 274 R HA -0.154 4.185 4.340 -0.001 0.000 0.234 274 R C 2.300 178.600 176.300 -0.001 0.000 1.136 274 R CA 1.850 57.952 56.100 0.003 0.000 0.935 274 R CB -0.377 29.927 30.300 0.005 0.000 0.842 274 R HN 0.432 nan 8.270 nan 0.000 0.430 275 L N 0.184 121.407 121.223 -0.000 0.000 2.265 275 L HA -0.113 4.226 4.340 -0.001 0.000 0.215 275 L C 2.297 179.160 176.870 -0.011 0.000 1.117 275 L CA 1.028 55.865 54.840 -0.005 0.000 0.782 275 L CB -0.351 41.705 42.059 -0.005 0.000 0.914 275 L HN 0.362 nan 8.230 nan 0.000 0.441 276 A N -0.565 122.248 122.820 -0.013 0.000 2.238 276 A HA 0.280 4.599 4.320 -0.001 0.000 0.208 276 A C 1.695 179.274 177.584 -0.009 0.000 1.177 276 A CA 0.720 52.747 52.037 -0.016 0.000 0.804 276 A CB -0.329 18.658 19.000 -0.023 0.000 0.823 276 A HN 0.505 nan 8.150 nan 0.000 0.482 277 G N -1.970 106.826 108.800 -0.006 0.000 2.137 277 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.237 277 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.237 277 G C 1.173 176.073 174.900 -0.000 0.000 1.002 277 G CA 0.600 45.699 45.100 -0.003 0.000 0.702 277 G HN 1.187 nan 8.290 nan 0.000 0.515 278 G N 0.391 109.191 108.800 -0.001 0.000 2.421 278 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.216 278 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.216 278 G C 1.884 176.783 174.900 -0.001 0.000 1.171 278 G CA 1.275 46.376 45.100 0.001 0.000 0.775 278 G HN 0.654 nan 8.290 nan 0.000 0.543 279 L N -0.048 121.173 121.223 -0.004 0.000 2.010 279 L HA -0.288 4.051 4.340 -0.001 0.000 0.219 279 L C 3.231 180.099 176.870 -0.003 0.000 1.077 279 L CA 1.977 56.813 54.840 -0.007 0.000 0.773 279 L CB -0.618 41.437 42.059 -0.007 0.000 0.892 279 L HN 0.244 nan 8.230 nan 0.000 0.436 280 Q N -0.303 119.498 119.800 0.000 0.000 2.050 280 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 280 Q C 2.233 178.239 176.000 0.010 0.000 0.980 280 Q CA 1.314 57.120 55.803 0.005 0.000 0.840 280 Q CB -0.180 28.561 28.738 0.005 0.000 0.898 280 Q HN 0.264 nan 8.270 nan 0.000 0.424 281 K N 0.265 120.673 120.400 0.012 0.000 2.032 281 K HA -0.087 4.232 4.320 -0.001 0.000 0.209 281 K C 2.061 178.679 176.600 0.028 0.000 1.048 281 K CA 1.549 57.850 56.287 0.023 0.000 0.927 281 K CB -0.380 32.135 32.500 0.025 0.000 0.712 281 K HN 0.369 nan 8.250 nan 0.000 0.441 282 M N 0.397 120.004 119.600 0.011 0.000 2.132 282 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 282 M C 2.345 178.643 176.300 -0.003 0.000 1.065 282 M CA 1.188 56.485 55.300 -0.005 0.000 1.122 282 M CB -0.511 32.066 32.600 -0.037 0.000 1.365 282 M HN -0.172 nan 8.290 nan 0.000 0.411 283 V N 0.914 120.827 119.914 -0.002 0.000 2.343 283 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 283 V C 2.734 178.841 176.094 0.022 0.000 1.051 283 V CA 2.019 64.321 62.300 0.002 0.000 1.036 283 V CB -1.182 30.642 31.823 0.002 0.000 0.654 283 V HN 0.542 nan 8.190 nan 0.000 0.451 284 A N -0.452 122.385 122.820 0.028 0.000 2.032 284 A HA -0.190 4.129 4.320 -0.001 0.000 0.221 284 A C 2.087 179.708 177.584 0.062 0.000 1.165 284 A CA 1.780 53.841 52.037 0.039 0.000 0.645 284 A CB -0.545 18.476 19.000 0.036 0.000 0.807 284 A HN 0.557 nan 8.150 nan 0.000 0.453 285 L N -0.596 120.678 121.223 0.086 0.000 2.599 285 L HA 0.077 4.416 4.340 -0.001 0.000 0.230 285 L C 1.676 178.643 176.870 0.161 0.000 1.141 285 L CA -0.066 54.870 54.840 0.159 0.000 0.877 285 L CB -0.193 42.033 42.059 0.279 0.000 1.009 285 L HN 0.343 nan 8.230 nan 0.000 0.447 286 L N 0.861 122.136 121.223 0.086 0.000 2.549 286 L HA -0.172 4.168 4.340 -0.001 0.000 0.230 286 L C 1.715 178.642 176.870 0.095 0.000 1.162 286 L CA 0.673 55.554 54.840 0.067 0.000 0.834 286 L CB -0.531 41.548 42.059 0.033 0.000 0.947 286 L HN 0.567 nan 8.230 nan 0.000 0.452 287 N N -1.341 117.419 118.700 0.100 0.000 2.398 287 N HA -0.043 4.696 4.740 -0.001 0.000 0.188 287 N C 0.485 176.063 175.510 0.113 0.000 1.122 287 N CA 0.191 53.301 53.050 0.100 0.000 0.866 287 N CB 0.003 38.533 38.487 0.072 0.000 0.970 287 N HN 0.031 nan 8.380 nan 0.000 0.462 288 K N 0.068 120.547 120.400 0.131 0.000 2.180 288 K HA 0.079 4.398 4.320 -0.001 0.000 0.251 288 K C 1.119 177.801 176.600 0.137 0.000 1.014 288 K CA 0.504 56.857 56.287 0.110 0.000 0.913 288 K CB 0.755 33.327 32.500 0.120 0.000 1.008 288 K HN 0.321 nan 8.250 nan 0.000 0.490 289 T N -2.792 111.831 114.554 0.114 0.000 2.985 289 T HA -0.006 4.343 4.350 -0.001 0.000 0.254 289 T C 0.555 175.312 174.700 0.096 0.000 1.021 289 T CA -0.230 61.973 62.100 0.172 0.000 0.957 289 T CB 0.058 69.040 68.868 0.191 0.000 1.047 289 T HN 0.361 nan 8.240 nan 0.000 0.511 290 N N 2.895 121.644 118.700 0.083 0.000 2.429 290 N HA 0.018 4.758 4.740 -0.001 0.000 0.271 290 N C 1.758 177.301 175.510 0.055 0.000 1.272 290 N CA 0.395 53.496 53.050 0.086 0.000 0.921 290 N CB 1.552 40.130 38.487 0.152 0.000 1.128 290 N HN 0.337 nan 8.380 nan 0.000 0.481 291 V N 3.268 123.134 119.914 -0.079 0.000 2.332 291 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 291 V C 2.033 178.120 176.094 -0.011 0.000 1.055 291 V CA 1.383 63.591 62.300 -0.155 0.000 1.038 291 V CB -0.493 31.165 31.823 -0.274 0.000 0.651 291 V HN 0.528 nan 8.190 nan 0.000 0.450 292 K N -0.113 120.290 120.400 0.005 0.000 2.026 292 K HA -0.084 4.236 4.320 -0.001 0.000 0.208 292 K C 2.085 178.784 176.600 0.165 0.000 1.048 292 K CA 1.868 58.264 56.287 0.182 0.000 0.929 292 K CB -0.466 32.182 32.500 0.248 0.000 0.713 292 K HN 0.549 nan 8.250 nan 0.000 0.439 293 F N 2.156 122.176 119.950 0.116 0.000 2.126 293 F HA -0.172 4.355 4.527 -0.001 0.000 0.299 293 F C 1.770 177.496 175.800 -0.123 0.000 1.096 293 F CA 1.270 59.237 58.000 -0.054 0.000 1.255 293 F CB -0.191 38.865 39.000 0.094 0.000 0.997 293 F HN -0.105 nan 8.300 nan 0.000 0.479 294 L N -0.010 121.127 121.223 -0.143 0.000 2.027 294 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 294 L C 2.890 179.589 176.870 -0.285 0.000 1.074 294 L CA 1.116 55.796 54.840 -0.266 0.000 0.745 294 L CB -1.324 40.632 42.059 -0.171 0.000 0.898 294 L HN 0.254 nan 8.230 nan 0.000 0.433 295 A N 0.514 123.243 122.820 -0.151 0.000 1.903 295 A HA -0.252 4.068 4.320 -0.001 0.000 0.219 295 A C 2.211 179.640 177.584 -0.258 0.000 1.191 295 A CA 1.990 53.960 52.037 -0.113 0.000 0.638 295 A CB -0.772 18.263 19.000 0.058 0.000 0.823 295 A HN 0.379 nan 8.150 nan 0.000 0.451 296 I N -0.852 119.488 120.570 -0.383 0.000 2.163 296 I HA -0.206 3.963 4.170 -0.001 0.000 0.240 296 I C 2.626 178.420 176.117 -0.539 0.000 1.081 296 I CA 1.780 62.725 61.300 -0.592 0.000 1.353 296 I CB -0.767 36.850 38.000 -0.638 0.000 1.054 296 I HN 0.279 nan 8.210 nan 0.000 0.407 297 T N 0.193 114.386 114.554 -0.602 0.000 2.759 297 T HA -0.187 4.162 4.350 -0.001 0.000 0.269 297 T C 1.855 176.379 174.700 -0.295 0.000 1.042 297 T CA 2.147 63.955 62.100 -0.486 0.000 1.140 297 T CB -0.603 67.885 68.868 -0.632 0.000 0.864 297 T HN 0.544 nan 8.240 nan 0.000 0.455 298 T N 0.215 114.605 114.554 -0.273 0.000 2.904 298 T HA -0.062 4.288 4.350 -0.001 0.000 0.267 298 T C 1.677 176.269 174.700 -0.181 0.000 1.059 298 T CA 1.294 63.279 62.100 -0.191 0.000 1.137 298 T CB -0.402 68.364 68.868 -0.170 0.000 0.879 298 T HN 0.284 nan 8.240 nan 0.000 0.467 299 D N 0.127 120.401 120.400 -0.210 0.000 2.224 299 D HA -0.007 4.632 4.640 -0.001 0.000 0.205 299 D C 1.905 178.169 176.300 -0.060 0.000 0.965 299 D CA 0.401 54.308 54.000 -0.156 0.000 0.852 299 D CB -0.504 40.220 40.800 -0.126 0.000 0.947 299 D HN 0.429 nan 8.370 nan 0.000 0.494 300 C N -0.186 119.078 119.300 -0.061 0.000 2.446 300 C HA -0.009 4.451 4.460 -0.001 0.000 0.277 300 C C 2.701 177.668 174.990 -0.039 0.000 1.275 300 C CA 0.214 59.231 59.018 -0.001 0.000 1.727 300 C CB -1.052 26.669 27.740 -0.033 0.000 2.010 300 C HN 0.435 nan 8.230 nan 0.000 0.486 301 L N 0.541 121.724 121.223 -0.068 0.000 2.083 301 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 301 L C 2.898 179.742 176.870 -0.043 0.000 1.083 301 L CA 1.428 56.236 54.840 -0.054 0.000 0.752 301 L CB -0.937 41.084 42.059 -0.064 0.000 0.899 301 L HN 0.448 nan 8.230 nan 0.000 0.433 302 Q N 1.127 120.888 119.800 -0.064 0.000 2.050 302 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 302 Q C 2.242 178.230 176.000 -0.019 0.000 0.980 302 Q CA 1.889 57.659 55.803 -0.056 0.000 0.840 302 Q CB -0.191 28.473 28.738 -0.123 0.000 0.898 302 Q HN 0.551 nan 8.270 nan 0.000 0.424 303 I N 0.718 121.261 120.570 -0.045 0.000 2.264 303 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 303 I C 2.339 178.457 176.117 0.003 0.000 1.111 303 I CA 0.934 62.208 61.300 -0.045 0.000 1.382 303 I CB -0.218 37.738 38.000 -0.074 0.000 1.060 303 I HN 0.196 nan 8.210 nan 0.000 0.418 304 L N 0.102 121.326 121.223 0.001 0.000 2.162 304 L HA -0.021 4.318 4.340 -0.001 0.000 0.205 304 L C 2.702 179.586 176.870 0.022 0.000 1.086 304 L CA 0.897 55.743 54.840 0.009 0.000 0.778 304 L CB -0.546 41.510 42.059 -0.004 0.000 0.928 304 L HN 0.158 nan 8.230 nan 0.000 0.446 305 A N -0.989 121.845 122.820 0.023 0.000 2.067 305 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 305 A C 0.881 178.481 177.584 0.027 0.000 1.156 305 A CA 0.027 52.072 52.037 0.014 0.000 0.683 305 A CB -0.569 18.431 19.000 0.000 0.000 0.808 305 A HN 0.320 nan 8.150 nan 0.000 0.455 306 Y N 1.655 121.922 120.300 -0.055 0.000 2.852 306 Y HA 0.238 4.787 4.550 -0.001 0.000 0.343 306 Y C 1.392 177.262 175.900 -0.050 0.000 1.280 306 Y CA 0.509 58.575 58.100 -0.057 0.000 1.604 306 Y CB -0.352 38.070 38.460 -0.063 0.000 1.216 306 Y HN 0.490 nan 8.280 nan 0.000 0.541 307 G N 4.977 113.373 108.800 -0.675 0.000 2.390 307 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.299 307 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.299 307 G C -0.085 174.688 174.900 -0.213 0.000 1.002 307 G CA 0.556 45.361 45.100 -0.491 0.000 0.979 307 G HN 0.861 nan 8.290 nan 0.000 0.513 308 N N -0.358 118.259 118.700 -0.138 0.000 2.648 308 N HA 0.278 5.018 4.740 -0.001 0.000 0.261 308 N C 1.121 176.593 175.510 -0.063 0.000 1.138 308 N CA -0.407 52.598 53.050 -0.074 0.000 0.804 308 N CB 1.242 39.707 38.487 -0.037 0.000 1.237 308 N HN 0.152 nan 8.380 nan 0.000 0.532 309 Q N 2.264 122.026 119.800 -0.063 0.000 2.062 309 Q HA -0.215 4.125 4.340 -0.001 0.000 0.209 309 Q C 0.737 176.716 176.000 -0.035 0.000 0.996 309 Q CA 2.369 58.142 55.803 -0.050 0.000 0.859 309 Q CB 0.178 28.889 28.738 -0.046 0.000 0.920 309 Q HN 0.631 nan 8.270 nan 0.000 0.415 310 E N -0.487 119.695 120.200 -0.029 0.000 2.070 310 E HA -0.177 4.173 4.350 -0.001 0.000 0.197 310 E C 2.117 178.706 176.600 -0.019 0.000 1.004 310 E CA 1.582 57.970 56.400 -0.021 0.000 0.805 310 E CB -0.457 29.233 29.700 -0.017 0.000 0.744 310 E HN 0.255 nan 8.360 nan 0.000 0.451 311 S N 0.724 116.412 115.700 -0.020 0.000 2.353 311 S HA -0.212 4.258 4.470 -0.001 0.000 0.222 311 S C 1.734 176.323 174.600 -0.018 0.000 1.035 311 S CA 1.539 59.730 58.200 -0.016 0.000 1.025 311 S CB -0.258 62.934 63.200 -0.014 0.000 0.902 311 S HN 0.228 nan 8.310 nan 0.000 0.440 312 K N 0.951 121.336 120.400 -0.024 0.000 2.103 312 K HA -0.048 4.271 4.320 -0.001 0.000 0.207 312 K C 2.010 178.598 176.600 -0.019 0.000 1.048 312 K CA 1.070 57.343 56.287 -0.024 0.000 0.930 312 K CB -0.430 32.050 32.500 -0.034 0.000 0.716 312 K HN 0.298 nan 8.250 nan 0.000 0.444 313 L N 0.770 121.982 121.223 -0.019 0.000 2.201 313 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 313 L C 2.257 179.121 176.870 -0.011 0.000 1.105 313 L CA 0.887 55.719 54.840 -0.014 0.000 0.775 313 L CB -0.262 41.788 42.059 -0.015 0.000 0.913 313 L HN 0.188 nan 8.230 nan 0.000 0.440 314 I N -0.491 120.072 120.570 -0.011 0.000 2.277 314 I HA -0.265 3.904 4.170 -0.001 0.000 0.243 314 I C 2.368 178.481 176.117 -0.007 0.000 1.094 314 I CA 1.188 62.483 61.300 -0.008 0.000 1.393 314 I CB -0.160 37.836 38.000 -0.008 0.000 1.078 314 I HN 0.128 nan 8.210 nan 0.000 0.417 315 I N 0.576 121.141 120.570 -0.009 0.000 2.248 315 I HA -0.315 3.854 4.170 -0.001 0.000 0.248 315 I C 2.519 178.633 176.117 -0.005 0.000 1.107 315 I CA 1.253 62.547 61.300 -0.008 0.000 1.373 315 I CB -0.229 37.764 38.000 -0.012 0.000 1.055 315 I HN 0.291 nan 8.210 nan 0.000 0.418 316 L N 1.310 122.530 121.223 -0.006 0.000 2.023 316 L HA -0.037 4.302 4.340 -0.001 0.000 0.205 316 L C 2.544 179.414 176.870 -0.001 0.000 1.073 316 L CA 2.168 57.007 54.840 -0.003 0.000 0.745 316 L CB -1.076 40.981 42.059 -0.005 0.000 0.900 316 L HN 0.146 nan 8.230 nan 0.000 0.435 317 A N -1.429 121.390 122.820 -0.002 0.000 2.131 317 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 317 A C 2.186 179.771 177.584 0.002 0.000 1.158 317 A CA 1.817 53.854 52.037 -0.000 0.000 0.665 317 A CB -0.744 18.255 19.000 -0.002 0.000 0.795 317 A HN 0.571 nan 8.150 nan 0.000 0.460 318 S N -1.918 113.783 115.700 0.002 0.000 2.556 318 S HA 0.381 4.850 4.470 -0.001 0.000 0.216 318 S C 1.298 175.902 174.600 0.008 0.000 0.970 318 S CA 0.654 58.857 58.200 0.005 0.000 0.912 318 S CB 0.233 63.435 63.200 0.004 0.000 0.790 318 S HN 1.619 nan 8.310 nan 0.000 0.504 319 G N 1.148 109.952 108.800 0.007 0.000 2.132 319 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.228 319 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.228 319 G C 0.842 175.749 174.900 0.011 0.000 1.000 319 G CA 0.235 45.342 45.100 0.010 0.000 0.693 319 G HN 0.581 nan 8.290 nan 0.000 0.515 320 G N 1.108 109.912 108.800 0.007 0.000 2.480 320 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.216 320 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.216 320 G C 0.180 175.084 174.900 0.008 0.000 1.200 320 G CA 1.832 46.935 45.100 0.004 0.000 0.782 320 G HN 0.531 nan 8.290 nan 0.000 0.554 321 P HA -0.244 nan 4.420 nan 0.000 0.216 321 P C 1.863 179.174 177.300 0.018 0.000 1.167 321 P CA 2.102 65.208 63.100 0.011 0.000 0.933 321 P CB -0.069 31.636 31.700 0.009 0.000 0.793 322 Q N -0.279 119.533 119.800 0.020 0.000 2.030 322 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 322 Q C 2.130 178.151 176.000 0.035 0.000 0.986 322 Q CA 2.420 58.239 55.803 0.026 0.000 0.843 322 Q CB -1.495 27.257 28.738 0.023 0.000 0.904 322 Q HN 0.133 nan 8.270 nan 0.000 0.420 323 A N 0.172 123.012 122.820 0.034 0.000 1.917 323 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 323 A C 2.183 179.797 177.584 0.050 0.000 1.182 323 A CA 1.782 53.845 52.037 0.044 0.000 0.633 323 A CB -0.917 18.105 19.000 0.036 0.000 0.819 323 A HN 0.472 nan 8.150 nan 0.000 0.448 324 L N -0.752 120.491 121.223 0.032 0.000 2.005 324 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 324 L C 2.548 179.446 176.870 0.047 0.000 1.072 324 L CA 1.261 56.117 54.840 0.028 0.000 0.744 324 L CB -0.714 41.350 42.059 0.008 0.000 0.895 324 L HN 0.252 nan 8.230 nan 0.000 0.433 325 V N 0.183 120.125 119.914 0.046 0.000 2.332 325 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 325 V C 2.293 178.434 176.094 0.077 0.000 1.055 325 V CA 1.801 64.135 62.300 0.057 0.000 1.038 325 V CB -0.814 31.037 31.823 0.046 0.000 0.651 325 V HN 0.488 nan 8.190 nan 0.000 0.450 326 N N 0.335 119.080 118.700 0.076 0.000 2.043 326 N HA -0.154 4.586 4.740 -0.001 0.000 0.193 326 N C 1.862 177.459 175.510 0.144 0.000 1.037 326 N CA 1.912 55.017 53.050 0.091 0.000 0.851 326 N CB -0.333 38.206 38.487 0.086 0.000 1.027 326 N HN 0.429 nan 8.380 nan 0.000 0.422 327 I N 1.149 121.828 120.570 0.181 0.000 2.194 327 I HA -0.275 3.895 4.170 -0.001 0.000 0.246 327 I C 2.164 178.439 176.117 0.263 0.000 1.093 327 I CA 0.972 62.447 61.300 0.292 0.000 1.355 327 I CB -0.173 37.916 38.000 0.148 0.000 1.046 327 I HN 0.110 nan 8.210 nan 0.000 0.413 328 M N 0.475 120.169 119.600 0.157 0.000 2.213 328 M HA -0.167 4.313 4.480 -0.001 0.000 0.263 328 M C 1.945 178.400 176.300 0.257 0.000 1.062 328 M CA 1.668 57.060 55.300 0.154 0.000 1.105 328 M CB -1.015 31.649 32.600 0.108 0.000 1.385 328 M HN 0.384 nan 8.290 nan 0.000 0.417 329 R N -1.996 118.610 120.500 0.176 0.000 2.468 329 R HA 0.254 4.593 4.340 -0.001 0.000 0.280 329 R C 0.798 177.133 176.300 0.059 0.000 0.963 329 R CA 0.252 56.430 56.100 0.129 0.000 1.083 329 R CB -0.203 30.142 30.300 0.076 0.000 1.200 329 R HN 0.046 nan 8.270 nan 0.000 0.541 330 T N -0.742 113.840 114.554 0.047 0.000 3.019 330 T HA 0.196 4.546 4.350 -0.001 0.000 0.247 330 T C -0.396 174.122 174.700 -0.304 0.000 0.992 330 T CA 0.352 62.348 62.100 -0.174 0.000 1.036 330 T CB 0.018 68.685 68.868 -0.334 0.000 1.063 330 T HN 0.077 nan 8.240 nan 0.000 0.476 331 Y N 1.524 121.887 120.300 0.105 0.000 2.519 331 Y HA 0.458 5.008 4.550 -0.001 0.000 0.324 331 Y C 1.571 177.562 175.900 0.151 0.000 1.214 331 Y CA -0.735 57.435 58.100 0.118 0.000 1.260 331 Y CB 0.897 39.431 38.460 0.123 0.000 1.311 331 Y HN -0.022 nan 8.280 nan 0.000 0.505 332 T N -3.532 111.220 114.554 0.329 0.000 3.170 332 T HA 0.130 4.479 4.350 -0.001 0.000 0.288 332 T C -0.675 174.200 174.700 0.291 0.000 0.992 332 T CA -0.151 62.105 62.100 0.260 0.000 0.909 332 T CB -0.608 68.367 68.868 0.179 0.000 1.133 332 T HN 0.381 nan 8.240 nan 0.000 0.530 333 Y N 3.233 123.629 120.300 0.160 0.000 2.436 333 Y HA 0.343 4.893 4.550 -0.001 0.000 0.336 333 Y C 1.500 177.458 175.900 0.097 0.000 1.049 333 Y CA -1.642 56.524 58.100 0.110 0.000 1.294 333 Y CB 0.989 39.504 38.460 0.091 0.000 1.179 333 Y HN 0.101 nan 8.280 nan 0.000 0.520 334 E N 4.847 124.973 120.200 -0.123 0.000 2.058 334 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 334 E C 1.325 177.819 176.600 -0.177 0.000 0.997 334 E CA 1.777 58.098 56.400 -0.133 0.000 0.801 334 E CB 0.219 29.840 29.700 -0.132 0.000 0.746 334 E HN 0.837 nan 8.360 nan 0.000 0.450 335 K N 0.264 120.382 120.400 -0.469 0.000 2.063 335 K HA -0.190 4.129 4.320 -0.001 0.000 0.208 335 K C 2.324 178.916 176.600 -0.013 0.000 1.048 335 K CA 1.355 57.524 56.287 -0.197 0.000 0.928 335 K CB -0.300 31.990 32.500 -0.350 0.000 0.713 335 K HN 0.102 nan 8.250 nan 0.000 0.442 336 L N 1.436 122.627 121.223 -0.054 0.000 2.056 336 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 336 L C 1.923 178.803 176.870 0.016 0.000 1.078 336 L CA 1.409 56.280 54.840 0.052 0.000 0.749 336 L CB -0.335 41.813 42.059 0.148 0.000 0.901 336 L HN 0.115 nan 8.230 nan 0.000 0.433 337 L N -1.831 119.410 121.223 0.031 0.000 2.012 337 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 337 L C 2.405 179.272 176.870 -0.005 0.000 1.073 337 L CA 1.804 56.624 54.840 -0.033 0.000 0.748 337 L CB -0.821 41.177 42.059 -0.102 0.000 0.891 337 L HN 0.550 nan 8.230 nan 0.000 0.431 338 W N 0.992 122.217 121.300 -0.126 0.000 2.329 338 W HA -0.230 4.430 4.660 -0.001 0.000 0.324 338 W C 2.583 179.064 176.519 -0.065 0.000 1.222 338 W CA 2.200 59.488 57.345 -0.096 0.000 1.270 338 W CB -0.884 28.518 29.460 -0.095 0.000 1.167 338 W HN -0.048 nan 8.180 nan 0.000 0.467 339 T N 0.649 114.997 114.554 -0.344 0.000 2.592 339 T HA -0.308 4.041 4.350 -0.001 0.000 0.267 339 T C 1.633 176.127 174.700 -0.343 0.000 1.060 339 T CA 3.150 64.933 62.100 -0.528 0.000 1.167 339 T CB -0.998 67.708 68.868 -0.269 0.000 0.863 339 T HN 0.241 nan 8.240 nan 0.000 0.431 340 T N 2.008 116.447 114.554 -0.191 0.000 2.684 340 T HA -0.162 4.187 4.350 -0.001 0.000 0.267 340 T C 2.406 177.035 174.700 -0.118 0.000 1.036 340 T CA 1.867 63.890 62.100 -0.128 0.000 1.148 340 T CB -0.640 68.186 68.868 -0.070 0.000 0.863 340 T HN 0.655 nan 8.240 nan 0.000 0.436 341 S N 1.769 117.399 115.700 -0.117 0.000 2.420 341 S HA -0.171 4.299 4.470 -0.001 0.000 0.237 341 S C 2.017 176.578 174.600 -0.065 0.000 1.023 341 S CA 1.002 59.162 58.200 -0.066 0.000 0.991 341 S CB -0.393 62.789 63.200 -0.028 0.000 0.792 341 S HN 0.492 nan 8.310 nan 0.000 0.488 342 R N 0.494 120.888 120.500 -0.176 0.000 2.073 342 R HA 0.106 4.446 4.340 -0.001 0.000 0.229 342 R C 2.380 178.626 176.300 -0.089 0.000 1.120 342 R CA 1.244 57.253 56.100 -0.151 0.000 0.967 342 R CB -0.672 29.422 30.300 -0.343 0.000 0.862 342 R HN 0.362 nan 8.270 nan 0.000 0.436 343 V N 1.650 121.498 119.914 -0.111 0.000 2.343 343 V HA -0.243 3.877 4.120 -0.001 0.000 0.247 343 V C 2.322 178.398 176.094 -0.029 0.000 1.051 343 V CA 1.668 63.929 62.300 -0.065 0.000 1.036 343 V CB -0.523 31.256 31.823 -0.073 0.000 0.654 343 V HN 0.270 nan 8.190 nan 0.000 0.451 344 L N -0.066 121.142 121.223 -0.025 0.000 2.012 344 L HA -0.264 4.075 4.340 -0.001 0.000 0.210 344 L C 2.655 179.537 176.870 0.021 0.000 1.073 344 L CA 2.255 57.096 54.840 0.001 0.000 0.748 344 L CB -0.628 41.437 42.059 0.009 0.000 0.891 344 L HN 0.349 nan 8.230 nan 0.000 0.431 345 K N 0.056 120.479 120.400 0.038 0.000 2.009 345 K HA -0.195 4.125 4.320 -0.001 0.000 0.210 345 K C 1.950 178.571 176.600 0.035 0.000 1.049 345 K CA 1.848 58.177 56.287 0.071 0.000 0.929 345 K CB -0.111 32.465 32.500 0.127 0.000 0.714 345 K HN 0.088 nan 8.250 nan 0.000 0.440 346 V N 1.595 121.525 119.914 0.027 0.000 2.594 346 V HA -0.214 3.905 4.120 -0.001 0.000 0.253 346 V C 2.187 178.271 176.094 -0.017 0.000 1.069 346 V CA 1.429 63.736 62.300 0.012 0.000 1.082 346 V CB -0.279 31.575 31.823 0.051 0.000 0.680 346 V HN 0.353 nan 8.190 nan 0.000 0.469 347 L N 0.352 121.571 121.223 -0.007 0.000 2.270 347 L HA -0.043 4.297 4.340 -0.001 0.000 0.210 347 L C 2.576 179.442 176.870 -0.007 0.000 1.104 347 L CA 1.266 56.099 54.840 -0.012 0.000 0.804 347 L CB -0.424 41.631 42.059 -0.007 0.000 0.937 347 L HN 0.535 nan 8.230 nan 0.000 0.450 348 S N -0.235 115.468 115.700 0.005 0.000 2.447 348 S HA -0.098 4.371 4.470 -0.001 0.000 0.233 348 S C 1.636 176.236 174.600 0.000 0.000 1.006 348 S CA 0.857 59.064 58.200 0.012 0.000 0.957 348 S CB -0.703 62.517 63.200 0.034 0.000 0.773 348 S HN 0.330 nan 8.310 nan 0.000 0.507 349 V N -1.241 118.663 119.914 -0.017 0.000 3.573 349 V HA 0.308 4.427 4.120 -0.001 0.000 0.270 349 V C 0.980 177.054 176.094 -0.033 0.000 1.221 349 V CA -0.493 61.788 62.300 -0.031 0.000 1.163 349 V CB -1.771 30.016 31.823 -0.059 0.000 0.847 349 V HN 0.648 nan 8.190 nan 0.000 0.468 350 C N 2.210 121.494 119.300 -0.027 0.000 2.307 350 C HA 0.577 5.037 4.460 -0.001 0.000 0.340 350 C C 2.367 177.347 174.990 -0.016 0.000 1.275 350 C CA 0.301 59.303 59.018 -0.026 0.000 1.811 350 C CB 0.668 28.392 27.740 -0.027 0.000 2.372 350 C HN 0.746 nan 8.230 nan 0.000 0.531 351 S N 3.844 119.535 115.700 -0.016 0.000 2.402 351 S HA -0.138 4.332 4.470 -0.001 0.000 0.233 351 S C 1.586 176.182 174.600 -0.007 0.000 1.030 351 S CA 1.991 60.185 58.200 -0.009 0.000 1.003 351 S CB -0.273 62.921 63.200 -0.010 0.000 0.813 351 S HN 0.834 nan 8.310 nan 0.000 0.477 352 S N 2.181 117.875 115.700 -0.009 0.000 2.388 352 S HA 0.110 4.579 4.470 -0.001 0.000 0.223 352 S C 1.871 176.468 174.600 -0.005 0.000 1.034 352 S CA 0.506 58.702 58.200 -0.007 0.000 0.963 352 S CB -0.414 62.780 63.200 -0.009 0.000 0.827 352 S HN 0.571 nan 8.310 nan 0.000 0.481 353 N N 1.552 120.249 118.700 -0.006 0.000 2.216 353 N HA -0.043 4.696 4.740 -0.001 0.000 0.183 353 N C 1.673 177.184 175.510 0.002 0.000 1.017 353 N CA 0.756 53.805 53.050 -0.003 0.000 0.861 353 N CB -0.191 38.292 38.487 -0.006 0.000 0.986 353 N HN 0.379 nan 8.380 nan 0.000 0.428 354 K N 1.691 122.092 120.400 0.001 0.000 2.015 354 K HA -0.164 4.156 4.320 -0.001 0.000 0.220 354 K C -0.932 175.673 176.600 0.008 0.000 1.055 354 K CA 1.908 58.199 56.287 0.007 0.000 0.951 354 K CB -0.857 31.646 32.500 0.006 0.000 0.725 354 K HN 0.050 nan 8.250 nan 0.000 0.449 355 P HA -0.171 nan 4.420 nan 0.000 0.216 355 P C 0.826 178.130 177.300 0.007 0.000 1.150 355 P CA 2.024 65.128 63.100 0.006 0.000 0.843 355 P CB -0.092 31.611 31.700 0.004 0.000 0.787 356 A N -0.473 122.351 122.820 0.006 0.000 1.858 356 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 356 A C 2.199 179.789 177.584 0.011 0.000 1.190 356 A CA 1.575 53.616 52.037 0.008 0.000 0.617 356 A CB -1.667 17.337 19.000 0.006 0.000 0.827 356 A HN 0.094 nan 8.150 nan 0.000 0.443 357 I N -0.202 120.375 120.570 0.012 0.000 2.248 357 I HA -0.256 3.914 4.170 -0.001 0.000 0.248 357 I C 2.313 178.441 176.117 0.019 0.000 1.107 357 I CA 1.261 62.571 61.300 0.017 0.000 1.373 357 I CB -0.401 37.611 38.000 0.019 0.000 1.055 357 I HN 0.166 nan 8.210 nan 0.000 0.418 358 V N 0.516 120.440 119.914 0.016 0.000 2.307 358 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 358 V C 2.461 178.563 176.094 0.012 0.000 1.045 358 V CA 1.703 64.012 62.300 0.015 0.000 1.024 358 V CB -0.617 31.213 31.823 0.012 0.000 0.651 358 V HN 0.391 nan 8.190 nan 0.000 0.449 359 E N 0.536 120.742 120.200 0.010 0.000 2.204 359 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 359 E C 2.312 178.919 176.600 0.011 0.000 0.990 359 E CA 1.367 57.773 56.400 0.009 0.000 0.821 359 E CB -0.480 29.225 29.700 0.007 0.000 0.750 359 E HN 0.584 nan 8.360 nan 0.000 0.477 360 A N 0.346 123.175 122.820 0.015 0.000 1.972 360 A HA 0.040 4.360 4.320 -0.001 0.000 0.219 360 A C 1.847 179.444 177.584 0.020 0.000 1.169 360 A CA 1.910 53.958 52.037 0.018 0.000 0.635 360 A CB -0.255 18.758 19.000 0.022 0.000 0.810 360 A HN 0.359 nan 8.150 nan 0.000 0.446 361 G N -3.313 105.499 108.800 0.020 0.000 2.148 361 G HA2 0.061 4.020 3.960 -0.001 0.000 0.120 361 G HA3 0.061 4.020 3.960 -0.001 0.000 0.120 361 G C 1.128 176.046 174.900 0.029 0.000 1.034 361 G CA 0.589 45.701 45.100 0.021 0.000 0.710 361 G HN 1.135 nan 8.290 nan 0.000 0.495 362 G N 0.963 109.782 108.800 0.031 0.000 2.553 362 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 362 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 362 G C 1.969 176.895 174.900 0.043 0.000 1.195 362 G CA 1.900 47.024 45.100 0.039 0.000 0.779 362 G HN 0.389 nan 8.290 nan 0.000 0.577 363 M N 0.094 119.714 119.600 0.033 0.000 2.110 363 M HA -0.171 4.309 4.480 -0.001 0.000 0.257 363 M C 2.686 179.004 176.300 0.031 0.000 1.071 363 M CA 1.734 57.053 55.300 0.031 0.000 1.096 363 M CB -1.486 31.127 32.600 0.021 0.000 1.300 363 M HN 0.215 nan 8.290 nan 0.000 0.411 364 Q N 0.085 119.899 119.800 0.023 0.000 2.061 364 Q HA -0.074 4.266 4.340 -0.001 0.000 0.204 364 Q C 2.288 178.305 176.000 0.029 0.000 0.984 364 Q CA 2.347 58.160 55.803 0.017 0.000 0.846 364 Q CB -0.857 27.887 28.738 0.010 0.000 0.902 364 Q HN 0.621 nan 8.270 nan 0.000 0.421 365 A N 0.348 123.196 122.820 0.048 0.000 1.851 365 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 365 A C 2.093 179.761 177.584 0.141 0.000 1.195 365 A CA 1.587 53.674 52.037 0.083 0.000 0.622 365 A CB -0.939 18.114 19.000 0.087 0.000 0.831 365 A HN 0.366 nan 8.150 nan 0.000 0.444 366 L N -0.606 120.692 121.223 0.125 0.000 2.131 366 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 366 L C 2.765 179.717 176.870 0.138 0.000 1.092 366 L CA 0.874 55.807 54.840 0.156 0.000 0.759 366 L CB -0.779 41.336 42.059 0.093 0.000 0.903 366 L HN 0.524 nan 8.230 nan 0.000 0.435 367 G N 0.200 109.043 108.800 0.071 0.000 2.462 367 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 367 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 367 G C 1.607 176.505 174.900 -0.003 0.000 1.121 367 G CA 0.410 45.529 45.100 0.031 0.000 0.758 367 G HN 0.275 nan 8.290 nan 0.000 0.559 368 L N -0.141 121.054 121.223 -0.046 0.000 2.187 368 L HA -0.081 4.259 4.340 -0.001 0.000 0.213 368 L C 2.224 178.874 176.870 -0.367 0.000 1.100 368 L CA 0.910 55.614 54.840 -0.228 0.000 0.765 368 L CB -0.300 41.542 42.059 -0.362 0.000 0.904 368 L HN 0.348 nan 8.230 nan 0.000 0.437 369 H N -1.312 117.766 119.070 0.013 0.000 2.652 369 H HA 0.156 4.712 4.556 -0.001 0.000 0.274 369 H C 2.151 177.477 175.328 -0.003 0.000 1.021 369 H CA -0.033 56.023 56.048 0.012 0.000 1.187 369 H CB 0.492 30.269 29.762 0.025 0.000 1.505 369 H HN 0.310 nan 8.280 nan 0.000 0.530 370 L N 1.254 122.517 121.223 0.067 0.000 2.270 370 L HA -0.154 4.185 4.340 -0.001 0.000 0.217 370 L C 1.909 178.783 176.870 0.007 0.000 1.107 370 L CA 1.882 56.738 54.840 0.026 0.000 0.772 370 L CB -0.391 41.671 42.059 0.006 0.000 0.902 370 L HN 0.313 nan 8.230 nan 0.000 0.439 371 T N -5.545 109.012 114.554 0.005 0.000 3.134 371 T HA 0.084 4.434 4.350 -0.001 0.000 0.260 371 T C 0.502 175.205 174.700 0.005 0.000 1.027 371 T CA -0.561 61.537 62.100 -0.004 0.000 0.913 371 T CB -0.104 68.757 68.868 -0.013 0.000 1.046 371 T HN 0.103 nan 8.240 nan 0.000 0.553 372 D N 2.938 123.355 120.400 0.028 0.000 2.399 372 D HA 0.070 4.710 4.640 -0.001 0.000 0.241 372 D C -0.997 175.308 176.300 0.008 0.000 1.133 372 D CA -1.397 52.626 54.000 0.039 0.000 0.890 372 D CB 1.871 42.725 40.800 0.090 0.000 1.201 372 D HN 0.060 nan 8.370 nan 0.000 0.432 373 P HA -0.086 nan 4.420 nan 0.000 0.223 373 P C 0.540 177.818 177.300 -0.036 0.000 1.151 373 P CA 0.324 63.413 63.100 -0.017 0.000 0.787 373 P CB 0.186 31.877 31.700 -0.014 0.000 0.788 374 S N 0.971 116.648 115.700 -0.038 0.000 2.437 374 S HA 0.036 4.506 4.470 -0.001 0.000 0.304 374 S C 1.382 175.932 174.600 -0.083 0.000 1.167 374 S CA -0.405 57.749 58.200 -0.077 0.000 1.106 374 S CB -0.118 63.031 63.200 -0.084 0.000 1.099 374 S HN -0.044 nan 8.310 nan 0.000 0.524 375 Q N 4.208 123.950 119.800 -0.097 0.000 2.226 375 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 375 Q C 2.230 178.157 176.000 -0.122 0.000 0.975 375 Q CA 1.527 57.270 55.803 -0.101 0.000 0.866 375 Q CB -0.225 28.457 28.738 -0.093 0.000 0.915 375 Q HN 0.940 nan 8.270 nan 0.000 0.440 376 R N -0.302 120.106 120.500 -0.152 0.000 2.115 376 R HA -0.067 4.272 4.340 -0.001 0.000 0.226 376 R C 2.072 178.375 176.300 0.005 0.000 1.100 376 R CA 0.844 56.863 56.100 -0.134 0.000 0.980 376 R CB -0.535 29.554 30.300 -0.352 0.000 0.875 376 R HN 0.126 nan 8.270 nan 0.000 0.445 377 L N 1.361 122.579 121.223 -0.009 0.000 2.044 377 L HA -0.047 4.292 4.340 -0.001 0.000 0.205 377 L C 2.169 179.050 176.870 0.019 0.000 1.075 377 L CA 1.384 56.277 54.840 0.088 0.000 0.747 377 L CB -0.388 41.696 42.059 0.041 0.000 0.903 377 L HN 0.063 nan 8.230 nan 0.000 0.435 378 V N -0.238 119.657 119.914 -0.032 0.000 2.287 378 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 378 V C 2.629 178.624 176.094 -0.165 0.000 1.053 378 V CA 1.943 64.205 62.300 -0.064 0.000 1.027 378 V CB -0.922 30.860 31.823 -0.068 0.000 0.646 378 V HN 0.559 nan 8.190 nan 0.000 0.447 379 Q N 0.689 120.326 119.800 -0.273 0.000 2.084 379 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 379 Q C 2.063 177.617 176.000 -0.743 0.000 0.978 379 Q CA 1.907 57.349 55.803 -0.601 0.000 0.844 379 Q CB -0.507 27.782 28.738 -0.748 0.000 0.898 379 Q HN 0.641 nan 8.270 nan 0.000 0.426 380 N N -0.942 117.567 118.700 -0.320 0.000 2.188 380 N HA -0.123 4.616 4.740 -0.001 0.000 0.184 380 N C 1.659 177.200 175.510 0.051 0.000 1.018 380 N CA 1.403 54.462 53.050 0.016 0.000 0.858 380 N CB -0.245 38.352 38.487 0.183 0.000 0.989 380 N HN 0.340 nan 8.380 nan 0.000 0.426 381 C N 0.898 120.195 119.300 -0.006 0.000 2.446 381 C HA 0.022 4.482 4.460 -0.001 0.000 0.277 381 C C 2.884 177.885 174.990 0.018 0.000 1.275 381 C CA 0.031 59.066 59.018 0.028 0.000 1.727 381 C CB -1.184 26.580 27.740 0.040 0.000 2.010 381 C HN 0.416 nan 8.230 nan 0.000 0.486 382 L N -0.415 120.766 121.223 -0.071 0.000 2.012 382 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 382 L C 2.765 179.660 176.870 0.041 0.000 1.073 382 L CA 1.731 56.526 54.840 -0.074 0.000 0.748 382 L CB -0.522 41.416 42.059 -0.201 0.000 0.891 382 L HN 0.507 nan 8.230 nan 0.000 0.431 383 W N 0.090 121.410 121.300 0.034 0.000 2.355 383 W HA -0.153 4.507 4.660 -0.001 0.000 0.309 383 W C 2.710 179.243 176.519 0.023 0.000 1.206 383 W CA 1.571 58.933 57.345 0.028 0.000 1.284 383 W CB -1.544 27.936 29.460 0.033 0.000 1.145 383 W HN 0.174 nan 8.180 nan 0.000 0.502 384 T N 1.380 116.093 114.554 0.265 0.000 2.674 384 T HA -0.177 4.173 4.350 -0.001 0.000 0.265 384 T C 2.157 176.923 174.700 0.110 0.000 1.039 384 T CA 1.504 63.696 62.100 0.154 0.000 1.150 384 T CB -0.776 68.160 68.868 0.115 0.000 0.864 384 T HN -0.008 nan 8.240 nan 0.000 0.427 385 L N 0.537 121.817 121.223 0.095 0.000 2.013 385 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 385 L C 2.892 179.805 176.870 0.072 0.000 1.073 385 L CA 1.659 56.541 54.840 0.069 0.000 0.753 385 L CB -0.458 41.633 42.059 0.053 0.000 0.890 385 L HN 0.203 nan 8.230 nan 0.000 0.432 386 R N 0.384 120.941 120.500 0.095 0.000 2.083 386 R HA -0.193 4.147 4.340 -0.001 0.000 0.237 386 R C 2.004 178.351 176.300 0.078 0.000 1.137 386 R CA 2.171 58.327 56.100 0.092 0.000 0.951 386 R CB -0.297 30.081 30.300 0.129 0.000 0.851 386 R HN 0.494 nan 8.270 nan 0.000 0.434 387 N N -0.062 118.690 118.700 0.087 0.000 2.166 387 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 387 N C 1.740 177.276 175.510 0.043 0.000 1.019 387 N CA 1.297 54.381 53.050 0.057 0.000 0.856 387 N CB -0.057 38.461 38.487 0.052 0.000 0.993 387 N HN 0.240 nan 8.380 nan 0.000 0.426 388 L N 0.688 121.939 121.223 0.046 0.000 2.240 388 L HA -0.052 4.287 4.340 -0.001 0.000 0.211 388 L C 2.589 179.478 176.870 0.032 0.000 1.106 388 L CA 0.368 55.229 54.840 0.035 0.000 0.793 388 L CB -0.578 41.503 42.059 0.036 0.000 0.927 388 L HN 0.214 nan 8.230 nan 0.000 0.446 389 S N 1.379 117.102 115.700 0.038 0.000 2.408 389 S HA -0.350 4.119 4.470 -0.001 0.000 0.241 389 S C 1.575 176.195 174.600 0.032 0.000 1.080 389 S CA 2.139 60.361 58.200 0.036 0.000 1.109 389 S CB -1.088 62.138 63.200 0.042 0.000 0.966 389 S HN 0.717 nan 8.310 nan 0.000 0.449 390 D N 2.030 122.450 120.400 0.034 0.000 2.309 390 D HA 0.116 4.756 4.640 -0.001 0.000 0.212 390 D C 1.562 177.876 176.300 0.023 0.000 0.968 390 D CA 1.040 55.059 54.000 0.032 0.000 0.882 390 D CB -0.339 40.480 40.800 0.032 0.000 0.918 390 D HN 0.657 nan 8.370 nan 0.000 0.503 391 A N -0.272 122.559 122.820 0.019 0.000 2.308 391 A HA 0.624 4.944 4.320 -0.001 0.000 0.217 391 A C 1.972 179.562 177.584 0.010 0.000 1.216 391 A CA 0.322 52.367 52.037 0.013 0.000 0.864 391 A CB 0.032 19.040 19.000 0.012 0.000 0.902 391 A HN 0.308 nan 8.150 nan 0.000 0.499 392 A N -0.040 122.786 122.820 0.011 0.000 2.345 392 A HA 0.246 4.566 4.320 -0.001 0.000 0.225 392 A C 1.644 179.227 177.584 -0.003 0.000 1.243 392 A CA 0.952 52.992 52.037 0.005 0.000 0.875 392 A CB -1.027 17.979 19.000 0.010 0.000 0.929 392 A HN 0.482 nan 8.150 nan 0.000 0.502 393 T N -2.064 112.489 114.554 -0.002 0.000 3.202 393 T HA -0.009 4.340 4.350 -0.001 0.000 0.267 393 T C 1.007 175.690 174.700 -0.028 0.000 1.183 393 T CA 1.388 63.481 62.100 -0.012 0.000 1.055 393 T CB -0.332 68.532 68.868 -0.007 0.000 0.898 393 T HN 0.521 nan 8.240 nan 0.000 0.555 394 K N -0.629 119.756 120.400 -0.026 0.000 2.554 394 K HA 0.176 4.495 4.320 -0.001 0.000 0.211 394 K C 0.257 176.837 176.600 -0.034 0.000 1.226 394 K CA -0.373 55.893 56.287 -0.035 0.000 1.025 394 K CB 0.641 33.127 32.500 -0.024 0.000 1.021 394 K HN 0.192 nan 8.250 nan 0.000 0.600 395 Q N 1.561 121.345 119.800 -0.026 0.000 2.394 395 Q HA 0.152 4.492 4.340 -0.001 0.000 0.248 395 Q C -0.276 175.704 176.000 -0.033 0.000 0.992 395 Q CA 0.849 56.639 55.803 -0.022 0.000 0.888 395 Q CB 1.027 29.758 28.738 -0.012 0.000 1.257 395 Q HN 0.208 nan 8.270 nan 0.000 0.462 396 E N -1.134 119.049 120.200 -0.028 0.000 2.339 396 E HA 0.529 4.879 4.350 -0.001 0.000 0.262 396 E C -0.017 176.569 176.600 -0.023 0.000 0.934 396 E CA -0.518 55.862 56.400 -0.033 0.000 0.802 396 E CB 1.439 31.118 29.700 -0.034 0.000 1.275 396 E HN 0.762 nan 8.360 nan 0.000 0.427 397 G N 1.128 109.914 108.800 -0.024 0.000 2.147 397 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.244 397 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.244 397 G C 0.573 175.463 174.900 -0.016 0.000 1.005 397 G CA 0.183 45.272 45.100 -0.017 0.000 0.713 397 G HN 0.302 nan 8.290 nan 0.000 0.515 398 M N -0.260 119.327 119.600 -0.021 0.000 2.563 398 M HA 0.167 4.646 4.480 -0.001 0.000 0.231 398 M C 1.792 178.081 176.300 -0.018 0.000 1.136 398 M CA 0.760 56.049 55.300 -0.019 0.000 1.026 398 M CB -0.332 32.254 32.600 -0.023 0.000 1.597 398 M HN 0.284 nan 8.290 nan 0.000 0.495 399 E N 0.721 120.910 120.200 -0.018 0.000 2.106 399 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 399 E C 2.197 178.789 176.600 -0.013 0.000 0.984 399 E CA 1.402 57.793 56.400 -0.015 0.000 0.806 399 E CB -0.682 29.010 29.700 -0.013 0.000 0.750 399 E HN 0.548 nan 8.360 nan 0.000 0.458 400 G N 1.088 109.880 108.800 -0.014 0.000 2.433 400 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.216 400 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.216 400 G C 1.495 176.387 174.900 -0.014 0.000 1.186 400 G CA 0.862 45.953 45.100 -0.015 0.000 0.779 400 G HN 0.215 nan 8.290 nan 0.000 0.543 401 L N 0.782 121.998 121.223 -0.011 0.000 1.943 401 L HA -0.016 4.323 4.340 -0.001 0.000 0.215 401 L C 2.821 179.686 176.870 -0.008 0.000 1.074 401 L CA 1.614 56.450 54.840 -0.007 0.000 0.759 401 L CB -0.844 41.214 42.059 -0.002 0.000 0.888 401 L HN 0.227 nan 8.230 nan 0.000 0.433 402 L N -0.494 120.723 121.223 -0.010 0.000 2.064 402 L HA -0.274 4.066 4.340 -0.001 0.000 0.216 402 L C 2.439 179.302 176.870 -0.012 0.000 1.077 402 L CA 1.535 56.368 54.840 -0.012 0.000 0.766 402 L CB -1.569 40.480 42.059 -0.016 0.000 0.890 402 L HN 0.595 nan 8.230 nan 0.000 0.435 403 G N -0.791 108.002 108.800 -0.011 0.000 2.484 403 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.215 403 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.215 403 G C 1.489 176.382 174.900 -0.012 0.000 1.219 403 G CA 1.257 46.350 45.100 -0.011 0.000 0.791 403 G HN 0.303 nan 8.290 nan 0.000 0.550 404 T N 1.758 116.305 114.554 -0.012 0.000 2.653 404 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 404 T C 2.431 177.123 174.700 -0.013 0.000 1.035 404 T CA 1.349 63.441 62.100 -0.013 0.000 1.154 404 T CB -0.383 68.477 68.868 -0.014 0.000 0.862 404 T HN 0.155 nan 8.240 nan 0.000 0.441 405 L N 0.569 121.785 121.223 -0.012 0.000 1.997 405 L HA -0.164 4.175 4.340 -0.001 0.000 0.216 405 L C 2.735 179.596 176.870 -0.014 0.000 1.074 405 L CA 1.241 56.074 54.840 -0.012 0.000 0.763 405 L CB -0.977 41.077 42.059 -0.008 0.000 0.890 405 L HN 0.154 nan 8.230 nan 0.000 0.434 406 V N -0.602 119.304 119.914 -0.014 0.000 2.287 406 V HA -0.321 3.799 4.120 -0.001 0.000 0.248 406 V C 2.630 178.713 176.094 -0.018 0.000 1.053 406 V CA 1.735 64.025 62.300 -0.017 0.000 1.027 406 V CB -0.559 31.254 31.823 -0.016 0.000 0.646 406 V HN 0.503 nan 8.190 nan 0.000 0.447 407 Q N -0.530 119.261 119.800 -0.016 0.000 2.030 407 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 407 Q C 2.336 178.325 176.000 -0.017 0.000 0.986 407 Q CA 1.672 57.466 55.803 -0.016 0.000 0.843 407 Q CB -0.469 28.260 28.738 -0.014 0.000 0.904 407 Q HN 0.545 nan 8.270 nan 0.000 0.420 408 L N 0.792 122.004 121.223 -0.018 0.000 2.263 408 L HA -0.205 4.134 4.340 -0.001 0.000 0.216 408 L C 2.347 179.205 176.870 -0.020 0.000 1.111 408 L CA 0.552 55.379 54.840 -0.021 0.000 0.773 408 L CB -0.461 41.584 42.059 -0.024 0.000 0.906 408 L HN 0.231 nan 8.230 nan 0.000 0.439 409 L N -0.533 120.679 121.223 -0.018 0.000 2.261 409 L HA -0.155 4.185 4.340 -0.001 0.000 0.216 409 L C 2.405 179.265 176.870 -0.016 0.000 1.114 409 L CA 1.114 55.944 54.840 -0.017 0.000 0.777 409 L CB -0.805 41.243 42.059 -0.018 0.000 0.910 409 L HN 0.351 nan 8.230 nan 0.000 0.440 410 G N -1.333 107.458 108.800 -0.016 0.000 2.712 410 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.212 410 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.212 410 G C 0.858 175.750 174.900 -0.014 0.000 1.142 410 G CA 0.079 45.171 45.100 -0.014 0.000 0.789 410 G HN 0.266 nan 8.290 nan 0.000 0.535 411 S N 0.708 116.398 115.700 -0.017 0.000 2.553 411 S HA -0.032 4.438 4.470 -0.001 0.000 0.293 411 S C 1.530 176.121 174.600 -0.015 0.000 1.296 411 S CA 0.706 58.895 58.200 -0.019 0.000 1.046 411 S CB 0.526 63.711 63.200 -0.026 0.000 0.810 411 S HN 0.539 nan 8.310 nan 0.000 0.505 412 D N 1.344 121.735 120.400 -0.015 0.000 2.363 412 D HA 0.025 4.665 4.640 -0.001 0.000 0.220 412 D C 0.109 176.403 176.300 -0.011 0.000 0.994 412 D CA 0.119 54.112 54.000 -0.012 0.000 0.890 412 D CB -0.008 40.785 40.800 -0.012 0.000 0.906 412 D HN 0.401 nan 8.370 nan 0.000 0.530 413 D N 0.342 120.733 120.400 -0.015 0.000 2.313 413 D HA 0.034 4.674 4.640 -0.001 0.000 0.239 413 D C 0.880 177.176 176.300 -0.007 0.000 1.142 413 D CA -0.621 53.371 54.000 -0.013 0.000 0.847 413 D CB 1.036 41.820 40.800 -0.026 0.000 1.082 413 D HN -0.047 nan 8.370 nan 0.000 0.480 414 I N 4.621 125.193 120.570 0.003 0.000 2.264 414 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 414 I C 1.587 177.715 176.117 0.019 0.000 1.111 414 I CA 1.423 62.729 61.300 0.010 0.000 1.382 414 I CB -0.246 37.764 38.000 0.015 0.000 1.060 414 I HN 0.488 nan 8.210 nan 0.000 0.418 415 N N -1.001 117.716 118.700 0.028 0.000 2.244 415 N HA -0.132 4.607 4.740 -0.001 0.000 0.183 415 N C 1.831 177.347 175.510 0.010 0.000 1.016 415 N CA 1.071 54.152 53.050 0.052 0.000 0.866 415 N CB -0.028 38.510 38.487 0.084 0.000 0.980 415 N HN 0.197 nan 8.380 nan 0.000 0.430 416 V N 0.754 120.651 119.914 -0.028 0.000 2.323 416 V HA -0.169 3.951 4.120 -0.001 0.000 0.244 416 V C 2.285 178.364 176.094 -0.025 0.000 1.041 416 V CA 1.204 63.471 62.300 -0.055 0.000 1.025 416 V CB -0.344 31.443 31.823 -0.060 0.000 0.656 416 V HN 0.113 nan 8.190 nan 0.000 0.451 417 V N -0.098 119.809 119.914 -0.012 0.000 2.233 417 V HA -0.325 3.795 4.120 -0.001 0.000 0.247 417 V C 2.588 178.686 176.094 0.007 0.000 1.050 417 V CA 2.794 65.091 62.300 -0.005 0.000 1.010 417 V CB -1.284 30.538 31.823 -0.003 0.000 0.637 417 V HN 0.604 nan 8.190 nan 0.000 0.444 418 T N -1.123 113.443 114.554 0.019 0.000 2.685 418 T HA -0.305 4.044 4.350 -0.001 0.000 0.268 418 T C 1.928 176.654 174.700 0.043 0.000 1.034 418 T CA 2.052 64.172 62.100 0.033 0.000 1.149 418 T CB -0.602 68.297 68.868 0.052 0.000 0.860 418 T HN 0.538 nan 8.240 nan 0.000 0.449 419 C N 1.174 120.503 119.300 0.049 0.000 2.462 419 C HA 0.095 4.554 4.460 -0.001 0.000 0.278 419 C C 3.223 178.231 174.990 0.031 0.000 1.253 419 C CA 0.416 59.469 59.018 0.059 0.000 1.713 419 C CB -1.433 26.329 27.740 0.038 0.000 2.049 419 C HN 0.680 nan 8.230 nan 0.000 0.477 420 A N 0.527 123.352 122.820 0.008 0.000 1.892 420 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 420 A C 2.346 179.932 177.584 0.003 0.000 1.188 420 A CA 2.576 54.614 52.037 0.001 0.000 0.631 420 A CB -1.108 17.886 19.000 -0.010 0.000 0.822 420 A HN 0.651 nan 8.150 nan 0.000 0.447 421 A N -0.647 122.175 122.820 0.003 0.000 1.865 421 A HA 0.049 4.369 4.320 -0.001 0.000 0.217 421 A C 2.509 180.092 177.584 -0.001 0.000 1.191 421 A CA 2.252 54.287 52.037 -0.003 0.000 0.623 421 A CB -1.571 17.428 19.000 -0.002 0.000 0.826 421 A HN 0.865 nan 8.150 nan 0.000 0.444 422 G N -0.182 108.628 108.800 0.015 0.000 2.440 422 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 422 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 422 G C 1.534 176.449 174.900 0.024 0.000 1.154 422 G CA 1.150 46.263 45.100 0.022 0.000 0.767 422 G HN 0.496 nan 8.290 nan 0.000 0.552 423 I N 0.289 120.876 120.570 0.028 0.000 2.226 423 I HA -0.141 4.029 4.170 -0.001 0.000 0.245 423 I C 2.724 178.852 176.117 0.019 0.000 1.100 423 I CA 0.665 61.982 61.300 0.028 0.000 1.374 423 I CB -0.220 37.796 38.000 0.026 0.000 1.057 423 I HN 0.132 nan 8.210 nan 0.000 0.413 424 L N -0.094 121.133 121.223 0.006 0.000 2.046 424 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 424 L C 2.807 179.675 176.870 -0.004 0.000 1.077 424 L CA 1.527 56.366 54.840 -0.001 0.000 0.747 424 L CB -0.617 41.434 42.059 -0.014 0.000 0.896 424 L HN 0.300 nan 8.230 nan 0.000 0.432 425 S N 0.494 116.178 115.700 -0.027 0.000 2.359 425 S HA -0.253 4.216 4.470 -0.001 0.000 0.222 425 S C 1.903 176.529 174.600 0.043 0.000 1.038 425 S CA 2.129 60.284 58.200 -0.074 0.000 1.051 425 S CB -0.279 62.876 63.200 -0.075 0.000 0.944 425 S HN 0.434 nan 8.310 nan 0.000 0.433 426 N N 1.397 120.137 118.700 0.066 0.000 2.120 426 N HA 0.044 4.784 4.740 -0.001 0.000 0.188 426 N C 1.770 177.334 175.510 0.091 0.000 1.024 426 N CA 1.270 54.380 53.050 0.100 0.000 0.852 426 N CB -0.662 37.864 38.487 0.065 0.000 1.003 426 N HN 0.452 nan 8.380 nan 0.000 0.424 427 L N 0.623 121.882 121.223 0.059 0.000 2.362 427 L HA -0.047 4.292 4.340 -0.001 0.000 0.219 427 L C 1.462 178.356 176.870 0.041 0.000 1.134 427 L CA 1.116 55.977 54.840 0.035 0.000 0.807 427 L CB -0.666 41.402 42.059 0.015 0.000 0.927 427 L HN 0.281 nan 8.230 nan 0.000 0.447 428 T N -4.544 110.068 114.554 0.097 0.000 3.163 428 T HA 0.025 4.374 4.350 -0.001 0.000 0.252 428 T C 0.581 175.387 174.700 0.177 0.000 1.056 428 T CA -0.422 61.747 62.100 0.115 0.000 0.947 428 T CB -0.698 68.245 68.868 0.124 0.000 1.016 428 T HN 0.236 nan 8.240 nan 0.000 0.554 429 C N 3.048 122.427 119.300 0.130 0.000 2.322 429 C HA 0.502 4.961 4.460 -0.001 0.000 0.343 429 C C 1.166 176.091 174.990 -0.109 0.000 1.190 429 C CA -0.456 58.503 59.018 -0.099 0.000 1.704 429 C CB -2.192 25.543 27.740 -0.008 0.000 2.293 429 C HN 0.833 nan 8.230 nan 0.000 0.523 430 N N 3.254 121.866 118.700 -0.146 0.000 2.747 430 N HA -0.209 4.530 4.740 -0.001 0.000 0.249 430 N C -0.721 174.772 175.510 -0.029 0.000 1.107 430 N CA 1.175 54.186 53.050 -0.064 0.000 0.707 430 N CB -1.218 37.233 38.487 -0.060 0.000 1.054 430 N HN 0.891 nan 8.380 nan 0.000 0.555 431 N N 0.551 119.227 118.700 -0.040 0.000 2.727 431 N HA 0.070 4.809 4.740 -0.001 0.000 0.252 431 N C 0.950 176.392 175.510 -0.115 0.000 1.283 431 N CA -0.434 52.554 53.050 -0.104 0.000 0.782 431 N CB -0.033 38.388 38.487 -0.111 0.000 1.199 431 N HN 0.305 nan 8.380 nan 0.000 0.520 432 Y N 2.225 122.514 120.300 -0.019 0.000 2.283 432 Y HA -0.148 4.401 4.550 -0.001 0.000 0.285 432 Y C 1.529 177.406 175.900 -0.039 0.000 1.176 432 Y CA 1.302 59.393 58.100 -0.016 0.000 1.229 432 Y CB -0.250 38.237 38.460 0.046 0.000 0.975 432 Y HN 0.207 nan 8.280 nan 0.000 0.537 433 K N 0.355 120.475 120.400 -0.467 0.000 2.001 433 K HA -0.145 4.174 4.320 -0.001 0.000 0.208 433 K C 1.816 178.342 176.600 -0.123 0.000 1.048 433 K CA 1.492 57.620 56.287 -0.265 0.000 0.932 433 K CB -0.238 32.034 32.500 -0.379 0.000 0.715 433 K HN 0.326 nan 8.250 nan 0.000 0.437 434 N N 1.235 119.853 118.700 -0.137 0.000 2.120 434 N HA -0.127 4.612 4.740 -0.001 0.000 0.188 434 N C 1.499 176.952 175.510 -0.094 0.000 1.024 434 N CA 1.177 54.174 53.050 -0.088 0.000 0.852 434 N CB -0.115 38.331 38.487 -0.069 0.000 1.003 434 N HN 0.178 nan 8.380 nan 0.000 0.424 435 K N 0.307 120.624 120.400 -0.139 0.000 2.020 435 K HA -0.120 4.199 4.320 -0.001 0.000 0.212 435 K C 2.007 178.428 176.600 -0.299 0.000 1.050 435 K CA 1.110 57.236 56.287 -0.268 0.000 0.929 435 K CB -0.150 32.067 32.500 -0.473 0.000 0.714 435 K HN 0.115 nan 8.250 nan 0.000 0.443 436 M N 0.298 119.778 119.600 -0.201 0.000 2.110 436 M HA -0.231 4.249 4.480 -0.001 0.000 0.257 436 M C 2.419 178.718 176.300 -0.002 0.000 1.071 436 M CA 1.721 57.009 55.300 -0.020 0.000 1.096 436 M CB -0.858 31.795 32.600 0.088 0.000 1.300 436 M HN 0.223 nan 8.290 nan 0.000 0.411 437 M N 0.371 119.963 119.600 -0.015 0.000 2.082 437 M HA -0.147 4.332 4.480 -0.001 0.000 0.258 437 M C 2.079 178.374 176.300 -0.009 0.000 1.071 437 M CA 1.772 57.068 55.300 -0.007 0.000 1.103 437 M CB -0.921 31.668 32.600 -0.018 0.000 1.307 437 M HN 0.069 nan 8.290 nan 0.000 0.409 438 V N -0.473 119.426 119.914 -0.025 0.000 2.317 438 V HA -0.405 3.714 4.120 -0.001 0.000 0.251 438 V C 2.506 178.598 176.094 -0.003 0.000 1.065 438 V CA 2.115 64.404 62.300 -0.019 0.000 1.049 438 V CB -1.227 30.579 31.823 -0.028 0.000 0.651 438 V HN 0.701 nan 8.190 nan 0.000 0.450 439 C N -0.904 118.401 119.300 0.009 0.000 2.462 439 C HA -0.166 4.294 4.460 -0.001 0.000 0.278 439 C C 2.810 177.826 174.990 0.042 0.000 1.253 439 C CA 0.895 59.941 59.018 0.046 0.000 1.713 439 C CB -1.091 26.716 27.740 0.112 0.000 2.049 439 C HN 0.588 nan 8.230 nan 0.000 0.477 440 Q N 0.564 120.390 119.800 0.042 0.000 2.217 440 Q HA -0.186 4.153 4.340 -0.001 0.000 0.209 440 Q C 1.849 177.863 176.000 0.023 0.000 0.988 440 Q CA 1.990 57.815 55.803 0.037 0.000 0.878 440 Q CB -0.234 28.524 28.738 0.033 0.000 0.909 440 Q HN 0.797 nan 8.270 nan 0.000 0.424 441 V N -4.123 115.799 119.914 0.014 0.000 3.514 441 V HA 0.460 4.580 4.120 -0.001 0.000 0.301 441 V C 0.874 176.967 176.094 -0.001 0.000 1.346 441 V CA 0.430 62.733 62.300 0.006 0.000 1.156 441 V CB -0.145 31.677 31.823 -0.001 0.000 1.029 441 V HN 0.353 nan 8.190 nan 0.000 0.428 442 G N -0.165 108.636 108.800 0.001 0.000 2.142 442 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.225 442 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.225 442 G C 0.897 175.774 174.900 -0.038 0.000 1.015 442 G CA 0.214 45.303 45.100 -0.017 0.000 0.716 442 G HN 1.151 nan 8.290 nan 0.000 0.508 443 G N 0.290 109.077 108.800 -0.022 0.000 2.422 443 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.218 443 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.218 443 G C 1.760 176.635 174.900 -0.041 0.000 1.146 443 G CA 1.384 46.467 45.100 -0.028 0.000 0.769 443 G HN 0.483 nan 8.290 nan 0.000 0.547 444 I N 1.207 121.756 120.570 -0.035 0.000 2.118 444 I HA -0.192 3.978 4.170 -0.001 0.000 0.241 444 I C 2.518 178.560 176.117 -0.124 0.000 1.070 444 I CA 1.754 63.031 61.300 -0.039 0.000 1.327 444 I CB -1.176 36.829 38.000 0.009 0.000 1.034 444 I HN 0.401 nan 8.210 nan 0.000 0.405 445 E N 0.961 120.999 120.200 -0.270 0.000 2.051 445 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 445 E C 2.309 178.798 176.600 -0.185 0.000 0.991 445 E CA 1.522 57.657 56.400 -0.441 0.000 0.799 445 E CB -0.031 29.302 29.700 -0.611 0.000 0.748 445 E HN 0.410 nan 8.360 nan 0.000 0.449 446 A N 0.938 123.685 122.820 -0.121 0.000 1.908 446 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 446 A C 2.220 179.777 177.584 -0.045 0.000 1.181 446 A CA 1.492 53.490 52.037 -0.066 0.000 0.627 446 A CB -0.722 18.249 19.000 -0.048 0.000 0.818 446 A HN 0.341 nan 8.150 nan 0.000 0.445 447 L N -0.861 120.336 121.223 -0.043 0.000 2.072 447 L HA -0.129 4.211 4.340 -0.001 0.000 0.205 447 L C 2.551 179.413 176.870 -0.015 0.000 1.079 447 L CA 0.931 55.755 54.840 -0.026 0.000 0.752 447 L CB -0.568 41.477 42.059 -0.023 0.000 0.906 447 L HN 0.238 nan 8.230 nan 0.000 0.436 448 V N 0.074 119.979 119.914 -0.015 0.000 2.255 448 V HA -0.345 3.775 4.120 -0.001 0.000 0.247 448 V C 2.674 178.780 176.094 0.020 0.000 1.051 448 V CA 2.152 64.462 62.300 0.016 0.000 1.018 448 V CB -0.662 31.184 31.823 0.039 0.000 0.641 448 V HN 0.457 nan 8.190 nan 0.000 0.445 449 R N -0.443 120.059 120.500 0.003 0.000 2.127 449 R HA -0.173 4.167 4.340 -0.001 0.000 0.238 449 R C 2.327 178.630 176.300 0.005 0.000 1.134 449 R CA 1.998 58.104 56.100 0.010 0.000 0.975 449 R CB -0.453 29.845 30.300 -0.004 0.000 0.865 449 R HN 0.550 nan 8.270 nan 0.000 0.447 450 T N 0.150 114.702 114.554 -0.003 0.000 2.684 450 T HA -0.123 4.226 4.350 -0.001 0.000 0.267 450 T C 1.768 176.470 174.700 0.004 0.000 1.036 450 T CA 1.572 63.670 62.100 -0.002 0.000 1.148 450 T CB -0.155 68.709 68.868 -0.007 0.000 0.863 450 T HN 0.046 nan 8.240 nan 0.000 0.436 451 V N 1.395 121.314 119.914 0.008 0.000 2.295 451 V HA -0.140 3.980 4.120 -0.001 0.000 0.246 451 V C 2.495 178.600 176.094 0.017 0.000 1.049 451 V CA 1.519 63.827 62.300 0.013 0.000 1.024 451 V CB -0.664 31.171 31.823 0.019 0.000 0.648 451 V HN 0.428 nan 8.190 nan 0.000 0.447 452 L N -0.704 120.533 121.223 0.023 0.000 2.012 452 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 452 L C 2.789 179.667 176.870 0.014 0.000 1.073 452 L CA 1.878 56.732 54.840 0.024 0.000 0.748 452 L CB -0.581 41.497 42.059 0.031 0.000 0.891 452 L HN 0.225 nan 8.230 nan 0.000 0.431 453 R N -0.360 120.145 120.500 0.010 0.000 2.081 453 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 453 R C 2.438 178.741 176.300 0.005 0.000 1.131 453 R CA 1.352 57.455 56.100 0.005 0.000 0.960 453 R CB -0.573 29.729 30.300 0.003 0.000 0.856 453 R HN 0.385 nan 8.270 nan 0.000 0.436 454 A N 0.588 123.412 122.820 0.005 0.000 1.917 454 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 454 A C 1.659 179.244 177.584 0.002 0.000 1.182 454 A CA 1.912 53.950 52.037 0.003 0.000 0.633 454 A CB -1.120 17.882 19.000 0.002 0.000 0.819 454 A HN 0.550 nan 8.150 nan 0.000 0.448 455 G N 0.233 109.036 108.800 0.006 0.000 2.596 455 G HA2 -0.457 3.503 3.960 -0.001 0.000 0.304 455 G HA3 -0.457 3.503 3.960 -0.001 0.000 0.304 455 G C 0.633 175.534 174.900 0.002 0.000 1.189 455 G CA 0.996 46.100 45.100 0.006 0.000 0.986 455 G HN 0.957 nan 8.290 nan 0.000 0.548 456 D N 1.119 121.518 120.400 -0.002 0.000 2.363 456 D HA -0.026 4.614 4.640 -0.001 0.000 0.220 456 D C 1.029 177.314 176.300 -0.025 0.000 0.994 456 D CA 0.284 54.279 54.000 -0.009 0.000 0.890 456 D CB -0.172 40.625 40.800 -0.006 0.000 0.906 456 D HN 0.351 nan 8.370 nan 0.000 0.530 457 R N 1.848 122.337 120.500 -0.019 0.000 2.605 457 R HA 0.084 4.424 4.340 -0.001 0.000 0.271 457 R C 0.749 177.030 176.300 -0.032 0.000 1.418 457 R CA 0.071 56.156 56.100 -0.025 0.000 1.102 457 R CB -0.087 30.207 30.300 -0.011 0.000 1.131 457 R HN 0.414 nan 8.270 nan 0.000 0.554 458 E N 1.163 121.327 120.200 -0.060 0.000 2.204 458 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 458 E C 1.030 177.607 176.600 -0.039 0.000 0.990 458 E CA 1.292 57.653 56.400 -0.064 0.000 0.821 458 E CB 0.192 29.813 29.700 -0.131 0.000 0.750 458 E HN 0.580 nan 8.360 nan 0.000 0.477 459 D N 0.610 120.991 120.400 -0.033 0.000 2.310 459 D HA -0.147 4.492 4.640 -0.001 0.000 0.212 459 D C 1.720 178.021 176.300 0.001 0.000 0.965 459 D CA 0.799 54.792 54.000 -0.011 0.000 0.879 459 D CB -0.040 40.758 40.800 -0.004 0.000 0.921 459 D HN 0.326 nan 8.370 nan 0.000 0.510 460 I N 0.841 121.409 120.570 -0.003 0.000 2.947 460 I HA -0.119 4.051 4.170 -0.001 0.000 0.263 460 I C 2.604 178.720 176.117 -0.003 0.000 1.130 460 I CA 1.009 62.310 61.300 0.002 0.000 1.448 460 I CB -0.305 37.697 38.000 0.003 0.000 1.222 460 I HN 0.002 nan 8.210 nan 0.000 0.453 461 T N -0.972 113.578 114.554 -0.006 0.000 2.708 461 T HA -0.235 4.115 4.350 -0.001 0.000 0.266 461 T C 1.681 176.377 174.700 -0.005 0.000 1.037 461 T CA 1.597 63.694 62.100 -0.004 0.000 1.146 461 T CB -0.493 68.373 68.868 -0.003 0.000 0.865 461 T HN 0.361 nan 8.240 nan 0.000 0.435 462 E N 2.300 122.497 120.200 -0.004 0.000 2.021 462 E HA -0.149 4.201 4.350 -0.001 0.000 0.200 462 E C -0.213 176.379 176.600 -0.013 0.000 1.015 462 E CA 1.777 58.177 56.400 0.001 0.000 0.824 462 E CB -0.719 28.987 29.700 0.010 0.000 0.762 462 E HN 0.456 nan 8.360 nan 0.000 0.454 463 P HA -0.182 nan 4.420 nan 0.000 0.216 463 P C 1.132 178.401 177.300 -0.052 0.000 1.150 463 P CA 2.033 65.115 63.100 -0.030 0.000 0.837 463 P CB -0.080 31.614 31.700 -0.009 0.000 0.786 464 A N 0.437 123.237 122.820 -0.032 0.000 1.877 464 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 464 A C 2.360 179.918 177.584 -0.043 0.000 1.186 464 A CA 1.565 53.582 52.037 -0.033 0.000 0.620 464 A CB -1.410 17.580 19.000 -0.016 0.000 0.822 464 A HN 0.041 nan 8.150 nan 0.000 0.443 465 I N 0.043 120.595 120.570 -0.031 0.000 2.179 465 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 465 I C 2.636 178.718 176.117 -0.059 0.000 1.088 465 I CA 1.147 62.432 61.300 -0.024 0.000 1.357 465 I CB -1.627 36.371 38.000 -0.002 0.000 1.051 465 I HN 0.389 nan 8.210 nan 0.000 0.409 466 C N 0.862 120.102 119.300 -0.100 0.000 2.425 466 C HA -0.114 4.345 4.460 -0.001 0.000 0.277 466 C C 3.136 177.852 174.990 -0.456 0.000 1.280 466 C CA 0.768 59.653 59.018 -0.223 0.000 1.744 466 C CB -1.334 26.277 27.740 -0.214 0.000 1.989 466 C HN 0.594 nan 8.230 nan 0.000 0.491 467 A N 0.490 123.126 122.820 -0.307 0.000 1.902 467 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 467 A C 2.128 179.640 177.584 -0.121 0.000 1.181 467 A CA 1.508 53.396 52.037 -0.249 0.000 0.623 467 A CB -0.612 18.316 19.000 -0.119 0.000 0.818 467 A HN 0.620 nan 8.150 nan 0.000 0.443 468 L N -1.288 119.895 121.223 -0.066 0.000 2.093 468 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 468 L C 2.803 179.696 176.870 0.039 0.000 1.085 468 L CA 1.580 56.421 54.840 0.002 0.000 0.755 468 L CB -0.468 41.598 42.059 0.011 0.000 0.904 468 L HN 0.465 nan 8.230 nan 0.000 0.435 469 R N -0.301 120.214 120.500 0.024 0.000 2.070 469 R HA -0.181 4.158 4.340 -0.001 0.000 0.232 469 R C 2.328 178.750 176.300 0.203 0.000 1.138 469 R CA 1.882 58.044 56.100 0.104 0.000 0.936 469 R CB -0.373 29.998 30.300 0.119 0.000 0.839 469 R HN 0.481 nan 8.270 nan 0.000 0.429 470 H N 0.006 119.106 119.070 0.050 0.000 2.352 470 H HA -0.147 4.409 4.556 -0.001 0.000 0.299 470 H C 2.186 177.558 175.328 0.074 0.000 1.097 470 H CA 1.359 57.439 56.048 0.052 0.000 1.311 470 H CB -0.088 29.691 29.762 0.027 0.000 1.377 470 H HN 0.224 nan 8.280 nan 0.000 0.504 471 L N 0.906 122.242 121.223 0.189 0.000 2.362 471 L HA -0.076 4.263 4.340 -0.001 0.000 0.219 471 L C 1.575 178.620 176.870 0.292 0.000 1.134 471 L CA 1.056 55.993 54.840 0.161 0.000 0.807 471 L CB -0.127 41.988 42.059 0.093 0.000 0.927 471 L HN 0.382 nan 8.230 nan 0.000 0.447 472 T N -3.989 110.691 114.554 0.209 0.000 3.258 472 T HA 0.305 4.655 4.350 -0.001 0.000 0.263 472 T C 0.262 175.034 174.700 0.120 0.000 0.983 472 T CA 0.012 62.205 62.100 0.155 0.000 0.907 472 T CB -0.023 68.904 68.868 0.098 0.000 1.096 472 T HN 0.262 nan 8.240 nan 0.000 0.556 473 S N 0.306 116.115 115.700 0.181 0.000 2.661 473 S HA 0.468 4.938 4.470 -0.001 0.000 0.268 473 S C -0.672 174.038 174.600 0.182 0.000 1.162 473 S CA -1.242 57.027 58.200 0.115 0.000 0.817 473 S CB 0.873 64.128 63.200 0.092 0.000 1.141 473 S HN 0.313 nan 8.310 nan 0.000 0.477 474 R N 0.873 121.430 120.500 0.095 0.000 3.118 474 R HA -0.229 4.111 4.340 -0.001 0.000 0.238 474 R C -0.400 176.019 176.300 0.199 0.000 0.884 474 R CA 1.685 57.845 56.100 0.101 0.000 0.601 474 R CB -2.840 27.515 30.300 0.092 0.000 1.009 474 R HN 1.083 nan 8.270 nan 0.000 0.478 475 H N -4.735 114.348 119.070 0.020 0.000 3.057 475 H HA 0.131 4.686 4.556 -0.001 0.000 0.308 475 H C 0.452 175.786 175.328 0.010 0.000 1.276 475 H CA -0.629 55.435 56.048 0.025 0.000 1.325 475 H CB 0.515 30.338 29.762 0.102 0.000 1.963 475 H HN -0.065 nan 8.280 nan 0.000 0.524 476 Q N 0.632 120.412 119.800 -0.034 0.000 2.028 476 Q HA -0.216 4.123 4.340 -0.001 0.000 0.213 476 Q C 0.787 176.673 176.000 -0.190 0.000 1.017 476 Q CA 2.278 58.032 55.803 -0.081 0.000 0.875 476 Q CB -0.117 28.630 28.738 0.013 0.000 0.962 476 Q HN 0.682 nan 8.270 nan 0.000 0.413 477 E N -0.287 119.825 120.200 -0.145 0.000 2.526 477 E HA -0.021 4.328 4.350 -0.001 0.000 0.198 477 E C 1.435 177.824 176.600 -0.352 0.000 1.091 477 E CA 0.546 56.877 56.400 -0.115 0.000 0.880 477 E CB -0.067 29.737 29.700 0.174 0.000 0.873 477 E HN 0.368 nan 8.360 nan 0.000 0.527 478 A N 0.934 123.198 122.820 -0.927 0.000 2.019 478 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 478 A C 2.135 179.608 177.584 -0.186 0.000 1.164 478 A CA 1.392 53.093 52.037 -0.561 0.000 0.644 478 A CB -0.235 18.467 19.000 -0.496 0.000 0.805 478 A HN 0.274 nan 8.150 nan 0.000 0.449 479 E N -0.580 119.520 120.200 -0.166 0.000 2.015 479 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 479 E C 2.072 178.641 176.600 -0.051 0.000 0.991 479 E CA 1.399 57.748 56.400 -0.084 0.000 0.802 479 E CB -0.254 29.401 29.700 -0.074 0.000 0.759 479 E HN 0.553 nan 8.360 nan 0.000 0.447 480 M N 0.904 120.478 119.600 -0.043 0.000 2.202 480 M HA -0.166 4.314 4.480 -0.001 0.000 0.262 480 M C 2.035 178.347 176.300 0.020 0.000 1.063 480 M CA 2.003 57.299 55.300 -0.007 0.000 1.097 480 M CB -0.628 31.977 32.600 0.009 0.000 1.382 480 M HN 0.170 nan 8.290 nan 0.000 0.413 481 A N 0.640 123.479 122.820 0.031 0.000 1.877 481 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 481 A C 1.928 179.542 177.584 0.050 0.000 1.186 481 A CA 1.883 53.962 52.037 0.070 0.000 0.620 481 A CB -0.855 18.219 19.000 0.123 0.000 0.822 481 A HN 0.749 nan 8.150 nan 0.000 0.443 482 Q N -0.276 119.539 119.800 0.024 0.000 2.197 482 Q HA -0.195 4.144 4.340 -0.001 0.000 0.207 482 Q C 1.876 177.876 176.000 0.000 0.000 0.984 482 Q CA 1.472 57.283 55.803 0.013 0.000 0.869 482 Q CB -0.271 28.463 28.738 -0.006 0.000 0.906 482 Q HN 0.623 nan 8.270 nan 0.000 0.426 483 N N 0.322 119.018 118.700 -0.007 0.000 2.148 483 N HA -0.061 4.678 4.740 -0.001 0.000 0.186 483 N C 1.810 177.313 175.510 -0.012 0.000 1.031 483 N CA 1.200 54.234 53.050 -0.025 0.000 0.848 483 N CB -0.317 38.151 38.487 -0.032 0.000 1.005 483 N HN 0.227 nan 8.380 nan 0.000 0.427 484 A N 1.345 124.187 122.820 0.038 0.000 1.903 484 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 484 A C 2.548 180.240 177.584 0.180 0.000 1.191 484 A CA 1.929 54.042 52.037 0.128 0.000 0.638 484 A CB -1.120 17.994 19.000 0.189 0.000 0.823 484 A HN 0.127 nan 8.150 nan 0.000 0.451 485 V N 0.072 120.055 119.914 0.115 0.000 2.250 485 V HA -0.348 3.772 4.120 -0.001 0.000 0.250 485 V C 2.716 178.840 176.094 0.051 0.000 1.060 485 V CA 2.653 65.012 62.300 0.098 0.000 1.030 485 V CB -0.824 31.035 31.823 0.060 0.000 0.643 485 V HN 0.715 nan 8.190 nan 0.000 0.445 486 R N -0.325 120.166 120.500 -0.015 0.000 2.073 486 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 486 R C 2.305 178.472 176.300 -0.223 0.000 1.134 486 R CA 1.665 57.710 56.100 -0.092 0.000 0.952 486 R CB -0.363 29.881 30.300 -0.094 0.000 0.850 486 R HN 0.462 nan 8.270 nan 0.000 0.433 487 L N 0.003 121.088 121.223 -0.229 0.000 2.349 487 L HA -0.173 4.167 4.340 -0.001 0.000 0.220 487 L C 0.834 177.351 176.870 -0.589 0.000 1.130 487 L CA 1.252 55.844 54.840 -0.413 0.000 0.791 487 L CB -0.204 41.630 42.059 -0.376 0.000 0.918 487 L HN 0.377 nan 8.230 nan 0.000 0.444 488 H N -2.828 116.167 119.070 -0.126 0.000 2.512 488 H HA 0.158 4.714 4.556 -0.001 0.000 0.276 488 H C -0.705 174.748 175.328 0.208 0.000 1.126 488 H CA -0.446 55.639 56.048 0.062 0.000 1.060 488 H CB 0.173 29.980 29.762 0.076 0.000 1.646 488 H HN 0.054 nan 8.280 nan 0.000 0.571 489 Y N -1.017 119.323 120.300 0.068 0.000 3.389 489 Y HA -0.269 4.280 4.550 -0.000 0.000 0.213 489 Y C 1.789 177.725 175.900 0.060 0.000 1.272 489 Y CA 0.460 58.590 58.100 0.050 0.000 1.444 489 Y CB -1.675 36.810 38.460 0.041 0.000 1.445 489 Y HN 0.528 nan 8.280 nan 0.000 0.583 490 G N -0.288 108.591 108.800 0.131 0.000 2.426 490 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.214 490 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.214 490 G C 1.499 176.448 174.900 0.082 0.000 1.156 490 G CA 0.721 45.885 45.100 0.107 0.000 0.802 490 G HN 0.424 nan 8.290 nan 0.000 0.534 491 L N 1.026 122.285 121.223 0.061 0.000 1.978 491 L HA -0.132 4.208 4.340 -0.001 0.000 0.218 491 L C 0.246 177.158 176.870 0.070 0.000 1.075 491 L CA 1.756 56.628 54.840 0.054 0.000 0.767 491 L CB -1.855 40.225 42.059 0.034 0.000 0.890 491 L HN 0.172 nan 8.230 nan 0.000 0.434 492 P HA -0.220 nan 4.420 nan 0.000 0.214 492 P C 2.015 179.365 177.300 0.083 0.000 1.169 492 P CA 1.568 64.721 63.100 0.089 0.000 0.908 492 P CB -0.039 31.726 31.700 0.108 0.000 0.791 493 V N -0.713 119.250 119.914 0.082 0.000 2.358 493 V HA -0.179 3.940 4.120 -0.001 0.000 0.246 493 V C 2.170 178.301 176.094 0.063 0.000 1.047 493 V CA 1.673 64.015 62.300 0.069 0.000 1.035 493 V CB -0.966 30.895 31.823 0.063 0.000 0.658 493 V HN -0.118 nan 8.190 nan 0.000 0.452 494 V N -0.014 119.935 119.914 0.060 0.000 2.231 494 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 494 V C 2.528 178.649 176.094 0.044 0.000 1.054 494 V CA 2.509 64.838 62.300 0.048 0.000 1.015 494 V CB -0.598 31.253 31.823 0.047 0.000 0.638 494 V HN 0.461 nan 8.190 nan 0.000 0.444 495 V N -0.089 119.858 119.914 0.054 0.000 2.282 495 V HA -0.376 3.744 4.120 -0.001 0.000 0.249 495 V C 2.435 178.569 176.094 0.067 0.000 1.057 495 V CA 2.607 64.937 62.300 0.050 0.000 1.032 495 V CB -0.780 31.091 31.823 0.080 0.000 0.645 495 V HN 0.616 nan 8.190 nan 0.000 0.447 496 K N -0.165 120.310 120.400 0.125 0.000 2.113 496 K HA -0.210 4.109 4.320 -0.001 0.000 0.208 496 K C 1.991 178.675 176.600 0.139 0.000 1.047 496 K CA 1.683 58.089 56.287 0.198 0.000 0.928 496 K CB -0.297 32.275 32.500 0.121 0.000 0.716 496 K HN 0.437 nan 8.250 nan 0.000 0.446 497 L N 1.029 122.287 121.223 0.059 0.000 2.450 497 L HA -0.136 4.203 4.340 -0.001 0.000 0.224 497 L C 2.052 178.907 176.870 -0.025 0.000 1.149 497 L CA 0.385 55.240 54.840 0.025 0.000 0.816 497 L CB -0.181 41.889 42.059 0.019 0.000 0.932 497 L HN 0.288 nan 8.230 nan 0.000 0.449 498 L N -1.390 119.775 121.223 -0.098 0.000 2.156 498 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 498 L C 1.154 177.857 176.870 -0.279 0.000 1.095 498 L CA 0.373 55.084 54.840 -0.215 0.000 0.770 498 L CB -0.360 41.504 42.059 -0.324 0.000 0.914 498 L HN 0.338 nan 8.230 nan 0.000 0.439 499 H N -0.391 118.661 119.070 -0.030 0.000 2.547 499 H HA 0.227 4.783 4.556 -0.001 0.000 0.362 499 H C -2.009 173.284 175.328 -0.059 0.000 1.181 499 H CA -2.135 53.885 56.048 -0.046 0.000 1.376 499 H CB 0.129 29.876 29.762 -0.025 0.000 1.488 499 H HN -0.120 nan 8.280 nan 0.000 0.583 500 P HA 0.007 nan 4.420 nan 0.000 0.271 500 P C -1.634 175.686 177.300 0.034 0.000 1.233 500 P CA -0.838 62.261 63.100 -0.001 0.000 0.789 500 P CB 0.018 31.700 31.700 -0.031 0.000 0.951 501 P HA -0.016 nan 4.420 nan 0.000 0.231 501 P C -0.174 177.202 177.300 0.126 0.000 1.158 501 P CA 0.785 63.920 63.100 0.059 0.000 0.763 501 P CB -0.097 31.644 31.700 0.070 0.000 0.805 502 S N 0.283 116.023 115.700 0.066 0.000 2.553 502 S HA -0.060 4.409 4.470 -0.001 0.000 0.293 502 S C 0.410 175.086 174.600 0.127 0.000 1.296 502 S CA 0.401 58.645 58.200 0.074 0.000 1.046 502 S CB -0.192 63.001 63.200 -0.011 0.000 0.810 502 S HN 0.268 nan 8.310 nan 0.000 0.505 503 H N -0.330 118.655 119.070 -0.141 0.000 2.615 503 H HA 0.312 4.867 4.556 -0.001 0.000 0.346 503 H C 0.552 175.797 175.328 -0.138 0.000 1.200 503 H CA -1.349 54.594 56.048 -0.174 0.000 1.264 503 H CB 0.231 29.963 29.762 -0.050 0.000 1.699 503 H HN 0.790 nan 8.280 nan 0.000 0.567 504 W N 1.247 122.613 121.300 0.109 0.000 2.318 504 W HA -0.136 4.523 4.660 -0.000 0.000 0.313 504 W C -0.451 176.101 176.519 0.056 0.000 1.221 504 W CA 1.057 58.433 57.345 0.052 0.000 1.266 504 W CB -1.149 28.323 29.460 0.020 0.000 1.150 504 W HN 0.605 nan 8.180 nan 0.000 0.496 505 P HA -0.221 nan 4.420 nan 0.000 0.216 505 P C 1.627 179.015 177.300 0.147 0.000 1.150 505 P CA 1.545 64.762 63.100 0.194 0.000 0.843 505 P CB -0.256 31.536 31.700 0.154 0.000 0.787 506 L N -0.566 120.733 121.223 0.126 0.000 2.095 506 L HA -0.009 4.330 4.340 -0.001 0.000 0.204 506 L C 2.590 179.509 176.870 0.081 0.000 1.080 506 L CA 1.380 56.266 54.840 0.076 0.000 0.759 506 L CB -1.241 40.842 42.059 0.040 0.000 0.914 506 L HN -0.210 nan 8.230 nan 0.000 0.439 507 I N -0.165 120.465 120.570 0.100 0.000 2.179 507 I HA -0.336 3.833 4.170 -0.001 0.000 0.242 507 I C 2.563 178.775 176.117 0.159 0.000 1.088 507 I CA 1.703 63.066 61.300 0.104 0.000 1.357 507 I CB -0.516 37.549 38.000 0.108 0.000 1.051 507 I HN 0.339 nan 8.210 nan 0.000 0.409 508 K N 1.412 121.942 120.400 0.216 0.000 2.074 508 K HA -0.250 4.069 4.320 -0.001 0.000 0.209 508 K C 2.150 178.812 176.600 0.104 0.000 1.048 508 K CA 1.784 58.164 56.287 0.155 0.000 0.926 508 K CB -0.110 32.469 32.500 0.133 0.000 0.713 508 K HN 0.325 nan 8.250 nan 0.000 0.444 509 A N 0.597 123.474 122.820 0.095 0.000 1.841 509 A HA -0.119 4.201 4.320 -0.001 0.000 0.214 509 A C 2.224 179.845 177.584 0.061 0.000 1.195 509 A CA 2.154 54.233 52.037 0.071 0.000 0.611 509 A CB -1.196 17.836 19.000 0.054 0.000 0.835 509 A HN 0.459 nan 8.150 nan 0.000 0.443 510 T N 0.168 114.754 114.554 0.054 0.000 2.653 510 T HA -0.200 4.150 4.350 -0.001 0.000 0.268 510 T C 1.874 176.603 174.700 0.048 0.000 1.035 510 T CA 1.892 64.017 62.100 0.042 0.000 1.154 510 T CB -0.726 68.159 68.868 0.027 0.000 0.862 510 T HN 0.154 nan 8.240 nan 0.000 0.441 511 V N 1.489 121.439 119.914 0.060 0.000 2.282 511 V HA -0.188 3.932 4.120 -0.001 0.000 0.249 511 V C 2.902 179.032 176.094 0.060 0.000 1.057 511 V CA 2.110 64.447 62.300 0.062 0.000 1.032 511 V CB -1.506 30.364 31.823 0.078 0.000 0.645 511 V HN 0.637 nan 8.190 nan 0.000 0.447 512 G N -0.264 108.574 108.800 0.064 0.000 2.440 512 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 512 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 512 G C 1.589 176.528 174.900 0.066 0.000 1.154 512 G CA 1.226 46.364 45.100 0.064 0.000 0.767 512 G HN 0.463 nan 8.290 nan 0.000 0.552 513 L N 0.770 122.030 121.223 0.063 0.000 2.046 513 L HA 0.076 4.415 4.340 -0.001 0.000 0.208 513 L C 2.666 179.570 176.870 0.057 0.000 1.077 513 L CA 1.298 56.173 54.840 0.059 0.000 0.747 513 L CB -0.368 41.719 42.059 0.048 0.000 0.896 513 L HN 0.270 nan 8.230 nan 0.000 0.432 514 I N -0.565 120.038 120.570 0.054 0.000 2.163 514 I HA -0.325 3.845 4.170 -0.001 0.000 0.243 514 I C 2.751 178.907 176.117 0.065 0.000 1.085 514 I CA 1.597 62.931 61.300 0.057 0.000 1.347 514 I CB -0.512 37.520 38.000 0.053 0.000 1.044 514 I HN 0.362 nan 8.210 nan 0.000 0.408 515 R N 1.323 121.861 120.500 0.064 0.000 2.096 515 R HA -0.230 4.109 4.340 -0.001 0.000 0.240 515 R C 1.977 178.315 176.300 0.064 0.000 1.139 515 R CA 2.371 58.509 56.100 0.065 0.000 0.952 515 R CB -0.273 30.057 30.300 0.050 0.000 0.854 515 R HN 0.346 nan 8.270 nan 0.000 0.436 516 N N 0.424 119.159 118.700 0.060 0.000 2.244 516 N HA -0.099 4.640 4.740 -0.001 0.000 0.183 516 N C 1.653 177.194 175.510 0.052 0.000 1.016 516 N CA 0.975 54.059 53.050 0.057 0.000 0.866 516 N CB -0.101 38.426 38.487 0.066 0.000 0.980 516 N HN 0.247 nan 8.380 nan 0.000 0.430 517 L N -0.313 120.942 121.223 0.053 0.000 2.291 517 L HA 0.024 4.363 4.340 -0.001 0.000 0.214 517 L C 1.997 178.892 176.870 0.042 0.000 1.120 517 L CA 0.600 55.465 54.840 0.041 0.000 0.799 517 L CB -0.284 41.801 42.059 0.044 0.000 0.925 517 L HN 0.167 nan 8.230 nan 0.000 0.446 518 A N -0.227 122.642 122.820 0.081 0.000 2.119 518 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 518 A C 2.111 179.783 177.584 0.147 0.000 1.152 518 A CA 0.479 52.605 52.037 0.149 0.000 0.708 518 A CB -0.364 18.748 19.000 0.188 0.000 0.805 518 A HN 0.351 nan 8.150 nan 0.000 0.460 519 L N -0.758 120.516 121.223 0.085 0.000 2.353 519 L HA -0.121 4.219 4.340 -0.001 0.000 0.220 519 L C 1.193 178.066 176.870 0.004 0.000 1.133 519 L CA 0.127 55.009 54.840 0.070 0.000 0.798 519 L CB -0.838 41.245 42.059 0.039 0.000 0.922 519 L HN 0.532 nan 8.230 nan 0.000 0.445 520 C N 2.051 121.311 119.300 -0.067 0.000 2.285 520 C HA 0.282 4.741 4.460 -0.001 0.000 0.335 520 C C -0.294 174.456 174.990 -0.400 0.000 1.267 520 C CA -1.892 57.036 59.018 -0.149 0.000 1.762 520 C CB 0.770 28.448 27.740 -0.104 0.000 2.365 520 C HN 0.100 nan 8.230 nan 0.000 0.527 521 P HA -0.140 nan 4.420 nan 0.000 0.215 521 P C 1.390 178.395 177.300 -0.491 0.000 1.153 521 P CA 2.568 65.248 63.100 -0.700 0.000 0.853 521 P CB 0.015 31.610 31.700 -0.175 0.000 0.788 522 A N -0.003 122.671 122.820 -0.242 0.000 2.139 522 A HA -0.186 4.133 4.320 -0.001 0.000 0.221 522 A C 1.958 179.470 177.584 -0.120 0.000 1.159 522 A CA 1.670 53.626 52.037 -0.135 0.000 0.662 522 A CB -1.124 17.818 19.000 -0.098 0.000 0.796 522 A HN 0.191 nan 8.150 nan 0.000 0.463 523 N N -1.307 117.289 118.700 -0.174 0.000 2.325 523 N HA 0.050 4.789 4.740 -0.001 0.000 0.182 523 N C 1.128 176.652 175.510 0.023 0.000 1.088 523 N CA 0.504 53.511 53.050 -0.072 0.000 0.879 523 N CB -0.418 38.038 38.487 -0.050 0.000 0.983 523 N HN 0.757 nan 8.380 nan 0.000 0.471 524 H N 0.875 119.961 119.070 0.027 0.000 2.289 524 H HA -0.094 4.461 4.556 -0.001 0.000 0.296 524 H C 1.999 177.351 175.328 0.039 0.000 1.091 524 H CA 1.605 57.677 56.048 0.039 0.000 1.274 524 H CB 0.219 30.009 29.762 0.047 0.000 1.364 524 H HN 0.216 nan 8.280 nan 0.000 0.490 525 A N 1.136 124.055 122.820 0.165 0.000 1.845 525 A HA -0.110 4.210 4.320 -0.001 0.000 0.215 525 A C -0.193 177.426 177.584 0.059 0.000 1.195 525 A CA 1.543 53.634 52.037 0.090 0.000 0.616 525 A CB -1.427 17.605 19.000 0.054 0.000 0.832 525 A HN 0.279 nan 8.150 nan 0.000 0.443 526 P HA -0.205 nan 4.420 nan 0.000 0.217 526 P C 1.481 178.810 177.300 0.047 0.000 1.162 526 P CA 1.272 64.391 63.100 0.031 0.000 0.901 526 P CB -0.216 31.490 31.700 0.010 0.000 0.793 527 L N -1.371 119.890 121.223 0.062 0.000 2.079 527 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 527 L C 2.823 179.735 176.870 0.070 0.000 1.081 527 L CA 1.546 56.428 54.840 0.070 0.000 0.752 527 L CB -0.655 41.456 42.059 0.087 0.000 0.896 527 L HN -0.049 nan 8.230 nan 0.000 0.433 528 R N 0.690 121.232 120.500 0.071 0.000 2.061 528 R HA -0.174 4.166 4.340 -0.001 0.000 0.230 528 R C 2.132 178.462 176.300 0.050 0.000 1.140 528 R CA 1.662 57.798 56.100 0.061 0.000 0.940 528 R CB -0.184 30.152 30.300 0.060 0.000 0.839 528 R HN 0.337 nan 8.270 nan 0.000 0.429 529 E N 0.097 120.320 120.200 0.039 0.000 2.147 529 E HA -0.242 4.108 4.350 -0.001 0.000 0.199 529 E C 2.044 178.669 176.600 0.042 0.000 1.005 529 E CA 1.218 57.636 56.400 0.030 0.000 0.810 529 E CB -0.002 29.711 29.700 0.022 0.000 0.736 529 E HN 0.416 nan 8.360 nan 0.000 0.460 530 Q N -0.960 118.873 119.800 0.054 0.000 2.436 530 Q HA -0.022 4.318 4.340 -0.001 0.000 0.209 530 Q C 1.344 177.397 176.000 0.088 0.000 0.965 530 Q CA 1.055 56.899 55.803 0.068 0.000 0.910 530 Q CB 0.812 29.594 28.738 0.073 0.000 0.980 530 Q HN 0.478 nan 8.270 nan 0.000 0.491 531 G N -0.378 108.471 108.800 0.082 0.000 2.134 531 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.209 531 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.209 531 G C 0.966 175.928 174.900 0.103 0.000 0.993 531 G CA 0.636 45.796 45.100 0.099 0.000 0.669 531 G HN 0.455 nan 8.290 nan 0.000 0.519 532 A N 0.333 123.201 122.820 0.079 0.000 1.859 532 A HA 0.022 4.341 4.320 -0.001 0.000 0.217 532 A C 2.398 180.013 177.584 0.051 0.000 1.198 532 A CA 2.096 54.167 52.037 0.057 0.000 0.629 532 A CB -0.479 18.556 19.000 0.060 0.000 0.830 532 A HN 0.933 nan 8.150 nan 0.000 0.446 533 I N 0.051 120.657 120.570 0.060 0.000 2.091 533 I HA -0.222 3.947 4.170 -0.001 0.000 0.239 533 I C -0.362 175.788 176.117 0.055 0.000 1.061 533 I CA 1.866 63.202 61.300 0.060 0.000 1.317 533 I CB -1.593 36.444 38.000 0.061 0.000 1.031 533 I HN 0.216 nan 8.210 nan 0.000 0.401 534 P HA -0.248 nan 4.420 nan 0.000 0.214 534 P C 1.606 178.940 177.300 0.057 0.000 1.172 534 P CA 1.698 64.834 63.100 0.059 0.000 0.925 534 P CB -0.094 31.650 31.700 0.073 0.000 0.793 535 R N -0.281 120.258 120.500 0.065 0.000 2.096 535 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 535 R C 2.258 178.559 176.300 0.002 0.000 1.127 535 R CA 1.391 57.505 56.100 0.023 0.000 0.968 535 R CB -1.537 28.701 30.300 -0.103 0.000 0.861 535 R HN 0.124 nan 8.270 nan 0.000 0.440 536 L N -0.668 120.562 121.223 0.013 0.000 1.970 536 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 536 L C 2.311 179.204 176.870 0.038 0.000 1.071 536 L CA 1.588 56.448 54.840 0.032 0.000 0.751 536 L CB -0.640 41.448 42.059 0.049 0.000 0.889 536 L HN 0.067 nan 8.230 nan 0.000 0.432 537 V N -0.264 119.667 119.914 0.029 0.000 2.287 537 V HA -0.383 3.737 4.120 -0.001 0.000 0.248 537 V C 2.514 178.608 176.094 0.000 0.000 1.053 537 V CA 2.213 64.511 62.300 -0.004 0.000 1.027 537 V CB -0.576 31.238 31.823 -0.015 0.000 0.646 537 V HN 0.593 nan 8.190 nan 0.000 0.447 538 Q N -0.532 119.281 119.800 0.021 0.000 2.112 538 Q HA -0.246 4.093 4.340 -0.001 0.000 0.206 538 Q C 2.191 178.227 176.000 0.060 0.000 0.987 538 Q CA 2.106 57.929 55.803 0.034 0.000 0.858 538 Q CB -0.200 28.564 28.738 0.044 0.000 0.905 538 Q HN 0.633 nan 8.270 nan 0.000 0.420 539 L N -0.022 121.249 121.223 0.079 0.000 2.027 539 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 539 L C 2.465 179.412 176.870 0.129 0.000 1.074 539 L CA 0.591 55.527 54.840 0.160 0.000 0.745 539 L CB -0.516 41.657 42.059 0.190 0.000 0.898 539 L HN 0.335 nan 8.230 nan 0.000 0.433 540 L N -0.469 120.794 121.223 0.066 0.000 2.137 540 L HA -0.204 4.136 4.340 -0.001 0.000 0.213 540 L C 2.245 179.129 176.870 0.023 0.000 1.085 540 L CA 1.671 56.525 54.840 0.024 0.000 0.760 540 L CB -0.403 41.638 42.059 -0.030 0.000 0.893 540 L HN -0.045 nan 8.230 nan 0.000 0.434 541 V N -0.675 119.251 119.914 0.020 0.000 2.255 541 V HA -0.232 3.887 4.120 -0.001 0.000 0.243 541 V C 2.731 178.865 176.094 0.067 0.000 1.038 541 V CA 1.862 64.181 62.300 0.031 0.000 1.008 541 V CB -0.567 31.261 31.823 0.009 0.000 0.645 541 V HN 0.400 nan 8.190 nan 0.000 0.449 542 R N 0.515 121.063 120.500 0.080 0.000 2.103 542 R HA -0.158 4.182 4.340 -0.001 0.000 0.242 542 R C 2.213 178.550 176.300 0.062 0.000 1.142 542 R CA 1.847 58.002 56.100 0.093 0.000 0.960 542 R CB -0.964 29.433 30.300 0.161 0.000 0.858 542 R HN 0.523 nan 8.270 nan 0.000 0.439 543 A N -0.903 121.948 122.820 0.051 0.000 1.883 543 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 543 A C 2.077 179.645 177.584 -0.027 0.000 1.186 543 A CA 2.025 54.028 52.037 -0.057 0.000 0.624 543 A CB -0.872 18.083 19.000 -0.076 0.000 0.822 543 A HN 0.569 nan 8.150 nan 0.000 0.444 544 H N -0.261 118.770 119.070 -0.064 0.000 2.326 544 H HA -0.052 4.504 4.556 -0.001 0.000 0.301 544 H C 2.109 177.408 175.328 -0.049 0.000 1.081 544 H CA 2.006 58.018 56.048 -0.059 0.000 1.334 544 H CB -0.263 29.466 29.762 -0.055 0.000 1.385 544 H HN 0.563 nan 8.280 nan 0.000 0.504 545 Q N -0.405 119.378 119.800 -0.028 0.000 2.376 545 Q HA -0.170 4.170 4.340 -0.001 0.000 0.211 545 Q C 0.951 176.885 176.000 -0.110 0.000 0.986 545 Q CA 1.598 57.357 55.803 -0.074 0.000 0.886 545 Q CB 0.051 28.785 28.738 -0.008 0.000 0.927 545 Q HN 0.612 nan 8.270 nan 0.000 0.457 546 D N -0.851 119.479 120.400 -0.116 0.000 2.355 546 D HA -0.048 4.591 4.640 -0.001 0.000 0.206 546 D C 0.913 177.128 176.300 -0.141 0.000 1.010 546 D CA 0.807 54.742 54.000 -0.109 0.000 0.875 546 D CB 0.337 41.077 40.800 -0.099 0.000 0.966 546 D HN 0.218 nan 8.370 nan 0.000 0.512 547 T N -1.836 112.595 114.554 -0.205 0.000 3.500 547 T HA 0.198 4.547 4.350 -0.001 0.000 0.244 547 T C 0.836 175.411 174.700 -0.208 0.000 0.962 547 T CA 0.049 62.032 62.100 -0.194 0.000 0.932 547 T CB 0.086 68.836 68.868 -0.196 0.000 1.096 547 T HN 0.073 nan 8.240 nan 0.000 0.617 548 Q N -0.102 119.597 119.800 -0.168 0.000 2.129 548 Q HA 0.315 4.655 4.340 -0.001 0.000 0.164 548 Q C 0.726 176.681 176.000 -0.075 0.000 0.573 548 Q CA -0.713 55.011 55.803 -0.130 0.000 0.812 548 Q CB 0.608 29.252 28.738 -0.155 0.000 1.106 548 Q HN 0.272 nan 8.270 nan 0.000 0.405 561 V N 1.670 121.601 119.914 0.029 0.000 2.546 561 V HA 0.281 4.400 4.120 -0.001 0.000 0.284 561 V C 1.029 177.210 176.094 0.145 0.000 1.050 561 V CA -0.298 62.048 62.300 0.077 0.000 0.981 561 V CB 1.404 33.260 31.823 0.055 0.000 0.990 561 V HN 0.705 nan 8.190 nan 0.000 0.474 562 E N 3.060 123.377 120.200 0.195 0.000 2.805 562 E HA -0.343 4.006 4.350 -0.001 0.000 0.266 562 E C 1.304 178.026 176.600 0.204 0.000 1.092 562 E CA 0.646 57.183 56.400 0.229 0.000 0.781 562 E CB -1.260 28.648 29.700 0.345 0.000 1.379 562 E HN 1.404 nan 8.360 nan 0.000 0.433 563 G N -1.640 107.263 108.800 0.172 0.000 2.383 563 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.229 563 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.229 563 G C 0.389 175.377 174.900 0.145 0.000 1.089 563 G CA 0.050 45.255 45.100 0.175 0.000 0.640 563 G HN 0.402 nan 8.290 nan 0.000 0.510 564 V N 3.119 123.063 119.914 0.051 0.000 2.546 564 V HA 0.534 4.653 4.120 -0.001 0.000 0.284 564 V C 0.979 176.848 176.094 -0.376 0.000 1.050 564 V CA -0.145 62.088 62.300 -0.111 0.000 0.981 564 V CB 1.325 33.107 31.823 -0.067 0.000 0.990 564 V HN 0.700 nan 8.190 nan 0.000 0.474 565 R N 4.902 125.035 120.500 -0.613 0.000 2.234 565 R HA 0.363 4.702 4.340 -0.001 0.000 0.324 565 R C 0.695 176.661 176.300 -0.557 0.000 1.054 565 R CA -0.751 54.808 56.100 -0.902 0.000 0.912 565 R CB 0.655 30.082 30.300 -1.455 0.000 1.030 565 R HN 0.490 nan 8.270 nan 0.000 0.455 566 M N 1.906 121.200 119.600 -0.509 0.000 2.192 566 M HA -0.192 4.287 4.480 -0.001 0.000 0.259 566 M C 1.115 177.241 176.300 -0.292 0.000 1.071 566 M CA 1.731 56.767 55.300 -0.441 0.000 1.082 566 M CB -1.069 31.307 32.600 -0.373 0.000 1.373 566 M HN 0.672 nan 8.290 nan 0.000 0.408 567 E N 0.452 120.504 120.200 -0.246 0.000 2.171 567 E HA -0.189 4.161 4.350 -0.001 0.000 0.197 567 E C 1.946 178.470 176.600 -0.126 0.000 0.997 567 E CA 1.387 57.700 56.400 -0.145 0.000 0.810 567 E CB -0.290 29.336 29.700 -0.122 0.000 0.738 567 E HN 0.621 nan 8.360 nan 0.000 0.467 568 E N -0.092 120.003 120.200 -0.174 0.000 2.072 568 E HA -0.122 4.227 4.350 -0.001 0.000 0.190 568 E C 1.912 178.450 176.600 -0.103 0.000 0.982 568 E CA 0.617 56.943 56.400 -0.123 0.000 0.803 568 E CB -0.037 29.581 29.700 -0.136 0.000 0.755 568 E HN 0.187 nan 8.360 nan 0.000 0.453 569 I N 1.062 121.529 120.570 -0.172 0.000 2.208 569 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 569 I C 2.405 178.488 176.117 -0.056 0.000 1.097 569 I CA 1.060 62.277 61.300 -0.138 0.000 1.363 569 I CB -1.100 36.690 38.000 -0.350 0.000 1.051 569 I HN 0.010 nan 8.210 nan 0.000 0.413 570 V N 0.817 120.694 119.914 -0.061 0.000 2.237 570 V HA -0.281 3.838 4.120 -0.001 0.000 0.245 570 V C 2.605 178.709 176.094 0.017 0.000 1.046 570 V CA 2.115 64.415 62.300 -0.001 0.000 1.007 570 V CB -0.656 31.186 31.823 0.031 0.000 0.638 570 V HN 0.454 nan 8.190 nan 0.000 0.445 571 E N -0.051 120.150 120.200 0.002 0.000 2.209 571 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 571 E C 2.106 178.714 176.600 0.014 0.000 0.993 571 E CA 1.321 57.725 56.400 0.008 0.000 0.819 571 E CB -0.314 29.381 29.700 -0.009 0.000 0.745 571 E HN 0.607 nan 8.360 nan 0.000 0.477 572 G N 0.636 109.443 108.800 0.012 0.000 2.496 572 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.214 572 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.214 572 G C 1.731 176.661 174.900 0.050 0.000 1.234 572 G CA 0.843 45.960 45.100 0.029 0.000 0.807 572 G HN 0.394 nan 8.290 nan 0.000 0.543 573 C N 1.110 120.446 119.300 0.060 0.000 2.386 573 C HA -0.114 4.345 4.460 -0.001 0.000 0.279 573 C C 3.551 178.600 174.990 0.100 0.000 1.208 573 C CA 2.291 61.355 59.018 0.076 0.000 1.747 573 C CB -1.313 26.470 27.740 0.072 0.000 2.046 573 C HN 0.667 nan 8.230 nan 0.000 0.453 574 T N -0.053 114.572 114.554 0.117 0.000 2.699 574 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 574 T C 1.904 176.688 174.700 0.140 0.000 1.036 574 T CA 2.240 64.457 62.100 0.196 0.000 1.147 574 T CB -1.079 67.916 68.868 0.212 0.000 0.862 574 T HN 0.575 nan 8.240 nan 0.000 0.446 575 G N 1.489 110.336 108.800 0.080 0.000 2.476 575 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.218 575 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.218 575 G C 1.925 176.861 174.900 0.061 0.000 1.164 575 G CA 1.348 46.468 45.100 0.034 0.000 0.768 575 G HN 0.838 nan 8.290 nan 0.000 0.560 576 A N 0.749 123.614 122.820 0.075 0.000 1.835 576 A HA 0.065 4.385 4.320 -0.001 0.000 0.215 576 A C 2.453 180.101 177.584 0.108 0.000 1.199 576 A CA 1.479 53.566 52.037 0.083 0.000 0.615 576 A CB -0.741 18.305 19.000 0.077 0.000 0.838 576 A HN 0.337 nan 8.150 nan 0.000 0.444 577 L N -0.730 120.564 121.223 0.119 0.000 2.085 577 L HA -0.348 3.991 4.340 -0.001 0.000 0.218 577 L C 2.751 179.671 176.870 0.083 0.000 1.080 577 L CA 1.926 56.839 54.840 0.121 0.000 0.776 577 L CB -0.858 41.326 42.059 0.209 0.000 0.891 577 L HN 0.672 nan 8.230 nan 0.000 0.437 578 H N 0.726 119.778 119.070 -0.030 0.000 2.289 578 H HA -0.210 4.346 4.556 -0.001 0.000 0.296 578 H C 2.215 177.509 175.328 -0.056 0.000 1.091 578 H CA 2.282 58.274 56.048 -0.093 0.000 1.274 578 H CB 0.018 29.714 29.762 -0.110 0.000 1.364 578 H HN 0.189 nan 8.280 nan 0.000 0.490 579 I N 0.874 121.619 120.570 0.292 0.000 2.315 579 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 579 I C 2.959 179.118 176.117 0.071 0.000 1.117 579 I CA 0.583 62.011 61.300 0.214 0.000 1.404 579 I CB -1.077 37.017 38.000 0.155 0.000 1.071 579 I HN 0.250 nan 8.210 nan 0.000 0.419 580 L N 0.945 122.194 121.223 0.043 0.000 2.083 580 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 580 L C 2.768 179.558 176.870 -0.134 0.000 1.083 580 L CA 1.123 55.943 54.840 -0.035 0.000 0.752 580 L CB -0.663 41.413 42.059 0.030 0.000 0.899 580 L HN 0.184 nan 8.230 nan 0.000 0.433 581 A N 0.272 123.037 122.820 -0.092 0.000 2.139 581 A HA -0.233 4.087 4.320 -0.001 0.000 0.221 581 A C 2.262 179.749 177.584 -0.163 0.000 1.159 581 A CA 1.404 53.362 52.037 -0.131 0.000 0.662 581 A CB -0.561 18.325 19.000 -0.190 0.000 0.796 581 A HN 0.397 nan 8.150 nan 0.000 0.463 582 R N -0.072 120.315 120.500 -0.188 0.000 2.193 582 R HA -0.079 4.260 4.340 -0.001 0.000 0.229 582 R C 0.394 176.560 176.300 -0.223 0.000 1.110 582 R CA 1.010 57.003 56.100 -0.177 0.000 0.988 582 R CB -0.221 30.005 30.300 -0.124 0.000 0.871 582 R HN 0.612 nan 8.270 nan 0.000 0.458 583 D N 0.286 120.490 120.400 -0.326 0.000 2.232 583 D HA 0.041 4.681 4.640 -0.001 0.000 0.242 583 D C 1.272 177.506 176.300 -0.110 0.000 1.093 583 D CA -0.231 53.649 54.000 -0.201 0.000 0.845 583 D CB 1.826 42.502 40.800 -0.207 0.000 1.124 583 D HN -0.259 nan 8.370 nan 0.000 0.467 584 V N 4.629 124.473 119.914 -0.116 0.000 2.222 584 V HA -0.326 3.793 4.120 -0.001 0.000 0.252 584 V C 2.219 178.233 176.094 -0.134 0.000 1.060 584 V CA 1.690 63.893 62.300 -0.162 0.000 1.027 584 V CB -0.986 30.674 31.823 -0.271 0.000 0.644 584 V HN 0.722 nan 8.190 nan 0.000 0.448 585 H N 0.333 119.395 119.070 -0.013 0.000 2.426 585 H HA -0.138 4.418 4.556 -0.001 0.000 0.298 585 H C 2.376 177.701 175.328 -0.005 0.000 1.107 585 H CA 1.787 57.834 56.048 -0.002 0.000 1.298 585 H CB -0.389 29.378 29.762 0.010 0.000 1.377 585 H HN 0.505 nan 8.280 nan 0.000 0.519 586 N N 1.032 119.785 118.700 0.089 0.000 2.109 586 N HA -0.089 4.651 4.740 -0.001 0.000 0.188 586 N C 2.105 177.628 175.510 0.022 0.000 1.034 586 N CA 0.490 53.567 53.050 0.044 0.000 0.846 586 N CB -0.248 38.236 38.487 -0.005 0.000 1.010 586 N HN 0.368 nan 8.380 nan 0.000 0.425 587 R N 0.983 121.474 120.500 -0.014 0.000 2.133 587 R HA -0.153 4.186 4.340 -0.001 0.000 0.245 587 R C 2.344 178.650 176.300 0.011 0.000 1.137 587 R CA 1.309 57.398 56.100 -0.019 0.000 0.947 587 R CB -0.817 29.453 30.300 -0.049 0.000 0.865 587 R HN 0.281 nan 8.270 nan 0.000 0.437 588 I N 0.511 121.089 120.570 0.014 0.000 2.087 588 I HA -0.326 3.844 4.170 -0.001 0.000 0.240 588 I C 2.448 178.590 176.117 0.042 0.000 1.054 588 I CA 1.628 62.946 61.300 0.029 0.000 1.311 588 I CB -0.497 37.532 38.000 0.047 0.000 1.024 588 I HN 0.012 nan 8.210 nan 0.000 0.402 589 V N 0.958 120.903 119.914 0.052 0.000 2.407 589 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 589 V C 2.256 178.382 176.094 0.053 0.000 1.055 589 V CA 1.705 64.035 62.300 0.051 0.000 1.049 589 V CB -0.504 31.353 31.823 0.056 0.000 0.662 589 V HN 0.335 nan 8.190 nan 0.000 0.455 590 I N 0.780 121.387 120.570 0.062 0.000 2.090 590 I HA -0.268 3.901 4.170 -0.001 0.000 0.236 590 I C 2.877 179.053 176.117 0.098 0.000 1.064 590 I CA 2.287 63.644 61.300 0.094 0.000 1.324 590 I CB -0.534 37.534 38.000 0.114 0.000 1.044 590 I HN 0.361 nan 8.210 nan 0.000 0.399 591 R N 1.462 122.014 120.500 0.086 0.000 2.148 591 R HA -0.050 4.290 4.340 -0.001 0.000 0.227 591 R C 2.111 178.438 176.300 0.044 0.000 1.103 591 R CA 1.399 57.544 56.100 0.075 0.000 0.983 591 R CB -1.145 29.189 30.300 0.056 0.000 0.874 591 R HN 0.350 nan 8.270 nan 0.000 0.451 592 G N 1.319 110.142 108.800 0.038 0.000 2.564 592 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.216 592 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.216 592 G C 1.205 176.117 174.900 0.021 0.000 1.124 592 G CA 0.369 45.485 45.100 0.028 0.000 0.764 592 G HN 0.291 nan 8.290 nan 0.000 0.550 593 L N -0.615 120.621 121.223 0.021 0.000 2.728 593 L HA 0.278 4.617 4.340 -0.001 0.000 0.238 593 L C 0.574 177.437 176.870 -0.012 0.000 1.143 593 L CA -0.410 54.433 54.840 0.005 0.000 0.937 593 L CB -0.017 42.045 42.059 0.005 0.000 1.225 593 L HN 0.213 nan 8.230 nan 0.000 0.507 594 N N 0.163 118.861 118.700 -0.003 0.000 2.525 594 N HA -0.189 4.551 4.740 -0.001 0.000 0.283 594 N C 0.427 175.902 175.510 -0.058 0.000 1.259 594 N CA 0.920 53.961 53.050 -0.015 0.000 0.689 594 N CB -0.364 38.112 38.487 -0.019 0.000 0.899 594 N HN 0.225 nan 8.380 nan 0.000 0.541 595 T N 1.534 116.053 114.554 -0.058 0.000 3.018 595 T HA 0.192 4.542 4.350 -0.001 0.000 0.246 595 T C 1.946 176.517 174.700 -0.215 0.000 1.026 595 T CA 0.540 62.495 62.100 -0.242 0.000 1.081 595 T CB 0.016 68.692 68.868 -0.320 0.000 0.970 595 T HN 0.439 nan 8.240 nan 0.000 0.475 596 I N 2.004 122.616 120.570 0.069 0.000 2.236 596 I HA -0.162 4.007 4.170 -0.001 0.000 0.249 596 I C -0.858 175.282 176.117 0.039 0.000 1.102 596 I CA 1.435 62.828 61.300 0.156 0.000 1.365 596 I CB -1.535 36.536 38.000 0.118 0.000 1.051 596 I HN 0.176 nan 8.210 nan 0.000 0.420 597 P HA -0.184 nan 4.420 nan 0.000 0.218 597 P C 1.695 178.939 177.300 -0.093 0.000 1.148 597 P CA 1.238 64.307 63.100 -0.052 0.000 0.822 597 P CB 0.103 31.767 31.700 -0.060 0.000 0.784 598 L N -2.302 118.817 121.223 -0.174 0.000 2.121 598 L HA 0.071 4.410 4.340 -0.001 0.000 0.200 598 L C 2.025 178.788 176.870 -0.178 0.000 1.077 598 L CA 1.495 56.176 54.840 -0.264 0.000 0.766 598 L CB -1.411 40.396 42.059 -0.420 0.000 0.931 598 L HN -0.205 nan 8.230 nan 0.000 0.452 599 F N 0.088 119.983 119.950 -0.091 0.000 2.039 599 F HA -0.336 4.191 4.527 -0.001 0.000 0.296 599 F C 2.562 178.347 175.800 -0.026 0.000 1.119 599 F CA 2.259 60.221 58.000 -0.063 0.000 1.211 599 F CB -1.619 37.354 39.000 -0.045 0.000 0.956 599 F HN -0.046 nan 8.300 nan 0.000 0.496 600 V N -0.413 119.629 119.914 0.213 0.000 2.282 600 V HA -0.344 3.775 4.120 -0.001 0.000 0.249 600 V C 2.275 178.484 176.094 0.192 0.000 1.057 600 V CA 2.218 64.618 62.300 0.167 0.000 1.032 600 V CB -0.922 30.980 31.823 0.130 0.000 0.645 600 V HN 0.447 nan 8.190 nan 0.000 0.447 601 Q N -0.578 119.269 119.800 0.078 0.000 2.439 601 Q HA -0.120 4.220 4.340 -0.001 0.000 0.211 601 Q C 1.861 177.942 176.000 0.135 0.000 0.978 601 Q CA 1.002 56.806 55.803 0.002 0.000 0.897 601 Q CB -0.099 28.562 28.738 -0.128 0.000 0.956 601 Q HN 0.631 nan 8.270 nan 0.000 0.483 602 L N 0.165 121.455 121.223 0.112 0.000 2.591 602 L HA 0.009 4.348 4.340 -0.001 0.000 0.228 602 L C 1.425 178.392 176.870 0.161 0.000 1.133 602 L CA -0.041 54.864 54.840 0.109 0.000 0.880 602 L CB 0.167 42.262 42.059 0.060 0.000 1.033 602 L HN 0.267 nan 8.230 nan 0.000 0.450 603 L N -1.612 119.744 121.223 0.222 0.000 2.509 603 L HA -0.064 4.275 4.340 -0.001 0.000 0.222 603 L C 0.607 177.521 176.870 0.073 0.000 1.123 603 L CA 0.274 55.190 54.840 0.127 0.000 0.856 603 L CB -0.070 42.051 42.059 0.103 0.000 0.985 603 L HN 0.189 nan 8.230 nan 0.000 0.456 604 Y N -0.156 120.173 120.300 0.048 0.000 2.955 604 Y HA 0.253 4.803 4.550 -0.001 0.000 0.386 604 Y C 0.658 176.593 175.900 0.058 0.000 1.069 604 Y CA -0.269 57.862 58.100 0.050 0.000 1.764 604 Y CB 0.107 38.599 38.460 0.054 0.000 1.646 604 Y HN -0.108 nan 8.280 nan 0.000 0.486 605 S N 0.938 116.720 115.700 0.137 0.000 2.547 605 S HA 0.394 4.863 4.470 -0.001 0.000 0.281 605 S C -1.869 172.763 174.600 0.054 0.000 1.118 605 S CA -1.590 56.673 58.200 0.105 0.000 0.947 605 S CB 1.590 64.857 63.200 0.112 0.000 1.053 605 S HN 0.110 nan 8.310 nan 0.000 0.482 606 P HA 0.121 nan 4.420 nan 0.000 0.221 606 P C 0.374 177.687 177.300 0.021 0.000 1.155 606 P CA 0.437 63.552 63.100 0.025 0.000 0.812 606 P CB -0.142 31.573 31.700 0.025 0.000 0.801 607 I N 2.089 122.674 120.570 0.025 0.000 2.886 607 I HA -0.066 4.103 4.170 -0.001 0.000 0.293 607 I C 1.474 177.600 176.117 0.015 0.000 1.157 607 I CA 0.409 61.719 61.300 0.017 0.000 1.472 607 I CB -0.493 37.517 38.000 0.016 0.000 1.492 607 I HN -0.002 nan 8.210 nan 0.000 0.652 608 E N 3.641 123.848 120.200 0.011 0.000 2.301 608 E HA -0.273 4.077 4.350 -0.001 0.000 0.202 608 E C 1.237 177.840 176.600 0.006 0.000 1.017 608 E CA 1.550 57.955 56.400 0.009 0.000 0.831 608 E CB -0.062 29.641 29.700 0.005 0.000 0.742 608 E HN 0.709 nan 8.360 nan 0.000 0.491 609 N N 0.138 118.840 118.700 0.003 0.000 2.305 609 N HA 0.036 4.775 4.740 -0.001 0.000 0.179 609 N C 1.729 177.235 175.510 -0.007 0.000 1.019 609 N CA 0.492 53.538 53.050 -0.006 0.000 0.869 609 N CB 0.058 38.540 38.487 -0.008 0.000 1.000 609 N HN 0.063 nan 8.380 nan 0.000 0.431 610 I N 1.273 121.847 120.570 0.006 0.000 2.335 610 I HA -0.307 3.862 4.170 -0.001 0.000 0.251 610 I C 1.955 178.085 176.117 0.022 0.000 1.129 610 I CA 1.187 62.498 61.300 0.020 0.000 1.402 610 I CB -0.316 37.707 38.000 0.038 0.000 1.069 610 I HN 0.285 nan 8.210 nan 0.000 0.424 611 Q N 0.557 120.368 119.800 0.019 0.000 1.917 611 Q HA -0.266 4.073 4.340 -0.001 0.000 0.205 611 Q C 2.249 178.241 176.000 -0.013 0.000 0.988 611 Q CA 1.689 57.503 55.803 0.017 0.000 0.851 611 Q CB -0.473 28.275 28.738 0.018 0.000 0.916 611 Q HN 0.378 nan 8.270 nan 0.000 0.424 612 R N 0.820 121.305 120.500 -0.024 0.000 2.227 612 R HA -0.264 4.075 4.340 -0.001 0.000 0.259 612 R C 2.187 178.359 176.300 -0.213 0.000 1.139 612 R CA 2.576 58.631 56.100 -0.076 0.000 0.969 612 R CB -0.642 29.632 30.300 -0.042 0.000 0.903 612 R HN 0.360 nan 8.270 nan 0.000 0.452 613 V N -2.357 117.477 119.914 -0.133 0.000 2.488 613 V HA 0.077 4.197 4.120 -0.001 0.000 0.246 613 V C 2.382 178.427 176.094 -0.083 0.000 1.046 613 V CA 1.443 63.684 62.300 -0.098 0.000 1.053 613 V CB -1.192 30.610 31.823 -0.035 0.000 0.679 613 V HN 0.436 nan 8.190 nan 0.000 0.458 614 A N 0.964 123.756 122.820 -0.047 0.000 1.940 614 A HA -0.002 4.317 4.320 -0.001 0.000 0.219 614 A C 2.453 179.957 177.584 -0.132 0.000 1.176 614 A CA 2.480 54.497 52.037 -0.033 0.000 0.631 614 A CB -1.005 18.038 19.000 0.072 0.000 0.814 614 A HN 0.925 nan 8.150 nan 0.000 0.446 615 A N -0.710 122.039 122.820 -0.118 0.000 1.929 615 A HA 0.201 4.520 4.320 -0.001 0.000 0.216 615 A C 2.347 179.823 177.584 -0.179 0.000 1.176 615 A CA 1.693 53.678 52.037 -0.087 0.000 0.628 615 A CB -1.162 17.846 19.000 0.013 0.000 0.816 615 A HN 0.699 nan 8.150 nan 0.000 0.444 616 G N -0.523 108.011 108.800 -0.444 0.000 2.421 616 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.217 616 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.217 616 G C 1.429 175.931 174.900 -0.664 0.000 1.143 616 G CA 1.170 45.929 45.100 -0.568 0.000 0.784 616 G HN 0.316 nan 8.290 nan 0.000 0.541 617 V N 1.161 120.733 119.914 -0.570 0.000 2.307 617 V HA -0.122 3.997 4.120 -0.001 0.000 0.245 617 V C 2.865 178.640 176.094 -0.532 0.000 1.045 617 V CA 1.401 63.289 62.300 -0.686 0.000 1.024 617 V CB -0.613 30.525 31.823 -1.141 0.000 0.651 617 V HN 0.324 nan 8.190 nan 0.000 0.449 618 L N -0.064 120.912 121.223 -0.412 0.000 1.988 618 L HA -0.210 4.130 4.340 -0.001 0.000 0.207 618 L C 2.769 179.557 176.870 -0.137 0.000 1.071 618 L CA 1.825 56.529 54.840 -0.227 0.000 0.744 618 L CB -1.081 40.903 42.059 -0.124 0.000 0.893 618 L HN 0.498 nan 8.230 nan 0.000 0.433 619 C N 0.409 119.665 119.300 -0.073 0.000 2.397 619 C HA -0.195 4.265 4.460 -0.001 0.000 0.282 619 C C 2.712 177.680 174.990 -0.036 0.000 1.252 619 C CA 1.324 60.358 59.018 0.026 0.000 1.811 619 C CB -0.741 27.137 27.740 0.230 0.000 2.027 619 C HN 0.493 nan 8.230 nan 0.000 0.503 620 E N -0.087 120.029 120.200 -0.140 0.000 2.127 620 E HA 0.070 4.419 4.350 -0.001 0.000 0.191 620 E C 2.186 178.706 176.600 -0.135 0.000 0.964 620 E CA 0.765 57.073 56.400 -0.153 0.000 0.832 620 E CB -0.437 29.105 29.700 -0.263 0.000 0.790 620 E HN 0.672 nan 8.360 nan 0.000 0.465 621 L N 0.639 121.765 121.223 -0.161 0.000 2.156 621 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 621 L C 2.335 179.158 176.870 -0.077 0.000 1.095 621 L CA 0.907 55.677 54.840 -0.117 0.000 0.770 621 L CB -0.317 41.662 42.059 -0.132 0.000 0.914 621 L HN 0.013 nan 8.230 nan 0.000 0.439 622 A N -0.764 122.013 122.820 -0.072 0.000 2.168 622 A HA -0.200 4.120 4.320 -0.001 0.000 0.215 622 A C 2.153 179.703 177.584 -0.057 0.000 1.152 622 A CA 0.810 52.815 52.037 -0.053 0.000 0.716 622 A CB -0.445 18.532 19.000 -0.039 0.000 0.794 622 A HN 0.465 nan 8.150 nan 0.000 0.465 623 Q N 0.161 119.926 119.800 -0.058 0.000 2.439 623 Q HA -0.107 4.232 4.340 -0.001 0.000 0.211 623 Q C -0.644 175.322 176.000 -0.057 0.000 0.978 623 Q CA 0.797 56.568 55.803 -0.054 0.000 0.897 623 Q CB 0.089 28.798 28.738 -0.050 0.000 0.956 623 Q HN 0.560 nan 8.270 nan 0.000 0.483 624 D N -0.067 120.299 120.400 -0.056 0.000 2.278 624 D HA 0.055 4.695 4.640 -0.001 0.000 0.245 624 D C 0.158 176.430 176.300 -0.047 0.000 1.052 624 D CA -0.334 53.636 54.000 -0.050 0.000 0.834 624 D CB 1.740 42.513 40.800 -0.047 0.000 1.194 624 D HN -0.069 nan 8.370 nan 0.000 0.481 625 K N 2.301 122.673 120.400 -0.046 0.000 1.977 625 K HA -0.230 4.089 4.320 -0.001 0.000 0.218 625 K C 1.512 178.092 176.600 -0.032 0.000 1.051 625 K CA 1.465 57.726 56.287 -0.043 0.000 0.953 625 K CB -0.135 32.340 32.500 -0.041 0.000 0.727 625 K HN 0.598 nan 8.250 nan 0.000 0.445 626 E N -0.419 119.765 120.200 -0.026 0.000 2.236 626 E HA -0.262 4.087 4.350 -0.001 0.000 0.205 626 E C 1.573 178.165 176.600 -0.014 0.000 1.028 626 E CA 1.654 58.044 56.400 -0.017 0.000 0.827 626 E CB -0.076 29.616 29.700 -0.014 0.000 0.735 626 E HN 0.438 nan 8.360 nan 0.000 0.470 627 A N 0.654 123.464 122.820 -0.017 0.000 1.887 627 A HA 0.231 4.551 4.320 -0.001 0.000 0.212 627 A C 2.419 179.995 177.584 -0.014 0.000 1.198 627 A CA 1.111 53.142 52.037 -0.011 0.000 0.628 627 A CB -0.717 18.274 19.000 -0.015 0.000 0.847 627 A HN 0.384 nan 8.150 nan 0.000 0.449 628 A N 1.240 124.044 122.820 -0.027 0.000 1.971 628 A HA -0.309 4.011 4.320 -0.001 0.000 0.222 628 A C 1.943 179.516 177.584 -0.019 0.000 1.182 628 A CA 2.231 54.249 52.037 -0.031 0.000 0.649 628 A CB -0.789 18.181 19.000 -0.050 0.000 0.818 628 A HN 0.801 nan 8.150 nan 0.000 0.458 629 E N -0.509 119.681 120.200 -0.017 0.000 2.076 629 E HA 0.104 4.454 4.350 -0.001 0.000 0.190 629 E C 2.042 178.642 176.600 0.000 0.000 0.979 629 E CA 0.786 57.180 56.400 -0.010 0.000 0.807 629 E CB -0.519 29.174 29.700 -0.012 0.000 0.761 629 E HN 0.488 nan 8.360 nan 0.000 0.454 630 A N 1.401 124.222 122.820 0.002 0.000 2.131 630 A HA -0.081 4.238 4.320 -0.001 0.000 0.220 630 A C 2.141 179.736 177.584 0.019 0.000 1.158 630 A CA 0.886 52.929 52.037 0.010 0.000 0.665 630 A CB -0.665 18.342 19.000 0.012 0.000 0.795 630 A HN 0.285 nan 8.150 nan 0.000 0.460 631 I N -0.206 120.375 120.570 0.019 0.000 2.277 631 I HA -0.203 3.966 4.170 -0.001 0.000 0.243 631 I C 2.523 178.659 176.117 0.033 0.000 1.094 631 I CA 1.500 62.818 61.300 0.030 0.000 1.393 631 I CB -0.413 37.600 38.000 0.022 0.000 1.078 631 I HN 0.607 nan 8.210 nan 0.000 0.417 632 E N 1.993 122.206 120.200 0.023 0.000 2.347 632 E HA -0.082 4.267 4.350 -0.001 0.000 0.196 632 E C 1.803 178.418 176.600 0.025 0.000 1.008 632 E CA 0.881 57.296 56.400 0.026 0.000 0.852 632 E CB -0.144 29.566 29.700 0.017 0.000 0.783 632 E HN 0.399 nan 8.360 nan 0.000 0.505 633 A N 1.036 123.867 122.820 0.019 0.000 2.252 633 A HA -0.042 4.278 4.320 -0.001 0.000 0.207 633 A C 1.390 178.985 177.584 0.017 0.000 1.194 633 A CA 0.425 52.472 52.037 0.015 0.000 0.809 633 A CB -0.044 18.962 19.000 0.010 0.000 0.814 633 A HN 0.179 nan 8.150 nan 0.000 0.482 634 E N -1.752 118.463 120.200 0.025 0.000 2.571 634 E HA 0.225 4.575 4.350 -0.001 0.000 0.222 634 E C 0.594 177.217 176.600 0.037 0.000 0.904 634 E CA 0.665 57.079 56.400 0.023 0.000 1.157 634 E CB 0.769 30.483 29.700 0.022 0.000 1.158 634 E HN 0.764 nan 8.360 nan 0.000 0.540 635 G N 1.804 110.636 108.800 0.053 0.000 2.618 635 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.180 635 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.180 635 G C 0.707 175.671 174.900 0.107 0.000 1.092 635 G CA 0.234 45.382 45.100 0.079 0.000 0.856 635 G HN 0.304 nan 8.290 nan 0.000 0.496 636 A N 0.385 123.252 122.820 0.079 0.000 1.826 636 A HA 0.242 4.562 4.320 -0.001 0.000 0.214 636 A C 2.844 180.469 177.584 0.069 0.000 1.212 636 A CA 2.838 54.923 52.037 0.079 0.000 0.605 636 A CB -1.251 17.783 19.000 0.057 0.000 0.861 636 A HN 1.805 nan 8.150 nan 0.000 0.447 637 T N -0.896 113.689 114.554 0.053 0.000 2.649 637 T HA -0.226 4.124 4.350 -0.001 0.000 0.268 637 T C 1.920 176.643 174.700 0.038 0.000 1.036 637 T CA 2.793 64.919 62.100 0.044 0.000 1.157 637 T CB -1.217 67.673 68.868 0.037 0.000 0.861 637 T HN 0.972 nan 8.240 nan 0.000 0.445 638 A N 3.604 126.451 122.820 0.046 0.000 1.879 638 A HA -0.162 4.157 4.320 -0.001 0.000 0.222 638 A C 0.652 178.235 177.584 -0.001 0.000 1.368 638 A CA 2.390 54.449 52.037 0.037 0.000 0.707 638 A CB -1.942 17.102 19.000 0.074 0.000 0.846 638 A HN 0.573 nan 8.150 nan 0.000 0.468 639 P HA -0.059 nan 4.420 nan 0.000 0.214 639 P C 1.702 178.971 177.300 -0.052 0.000 1.162 639 P CA 0.851 63.876 63.100 -0.124 0.000 0.874 639 P CB -0.155 31.389 31.700 -0.261 0.000 0.784 640 L N -0.197 121.024 121.223 -0.003 0.000 2.064 640 L HA -0.250 4.089 4.340 -0.001 0.000 0.216 640 L C 1.923 178.807 176.870 0.025 0.000 1.077 640 L CA 2.374 57.228 54.840 0.022 0.000 0.766 640 L CB -1.779 40.307 42.059 0.044 0.000 0.890 640 L HN 0.025 nan 8.230 nan 0.000 0.435 641 T N -1.323 113.243 114.554 0.020 0.000 2.635 641 T HA -0.299 4.050 4.350 -0.001 0.000 0.267 641 T C 1.709 176.423 174.700 0.023 0.000 1.040 641 T CA 1.645 63.758 62.100 0.023 0.000 1.156 641 T CB -0.401 68.475 68.868 0.014 0.000 0.863 641 T HN 0.535 nan 8.240 nan 0.000 0.430 642 E N 1.043 121.248 120.200 0.009 0.000 2.038 642 E HA -0.124 4.226 4.350 -0.001 0.000 0.195 642 E C 1.850 178.479 176.600 0.049 0.000 1.000 642 E CA 0.958 57.368 56.400 0.018 0.000 0.803 642 E CB -0.342 29.350 29.700 -0.014 0.000 0.750 642 E HN 0.461 nan 8.360 nan 0.000 0.448 643 L N 1.226 122.465 121.223 0.027 0.000 2.740 643 L HA -0.146 4.194 4.340 -0.001 0.000 0.242 643 L C 1.884 178.786 176.870 0.053 0.000 1.175 643 L CA 0.129 54.990 54.840 0.035 0.000 0.859 643 L CB -0.321 41.753 42.059 0.025 0.000 0.992 643 L HN 0.283 nan 8.230 nan 0.000 0.454 644 L N -1.506 119.757 121.223 0.067 0.000 2.375 644 L HA -0.095 4.245 4.340 -0.001 0.000 0.215 644 L C 2.217 179.144 176.870 0.095 0.000 1.108 644 L CA 0.417 55.297 54.840 0.067 0.000 0.830 644 L CB -0.307 41.787 42.059 0.058 0.000 0.959 644 L HN 0.253 nan 8.230 nan 0.000 0.457 645 H N -0.757 118.313 119.070 -0.001 0.000 2.563 645 H HA 0.168 4.723 4.556 -0.001 0.000 0.264 645 H C 1.335 176.662 175.328 -0.001 0.000 0.957 645 H CA -0.340 55.706 56.048 -0.003 0.000 1.173 645 H CB 0.383 30.141 29.762 -0.006 0.000 1.420 645 H HN 0.063 nan 8.280 nan 0.000 0.551 646 S N 0.297 115.979 115.700 -0.029 0.000 2.550 646 S HA -0.077 4.393 4.470 -0.001 0.000 0.285 646 S C 1.159 175.685 174.600 -0.125 0.000 1.326 646 S CA -0.132 58.027 58.200 -0.069 0.000 1.037 646 S CB 0.435 63.628 63.200 -0.011 0.000 0.838 646 S HN 0.644 nan 8.310 nan 0.000 0.519 647 R N 1.887 122.319 120.500 -0.113 0.000 2.319 647 R HA 0.128 4.467 4.340 -0.001 0.000 0.204 647 R C 0.145 176.414 176.300 -0.052 0.000 0.954 647 R CA -0.069 55.969 56.100 -0.102 0.000 1.066 647 R CB -0.173 30.074 30.300 -0.088 0.000 0.991 647 R HN 0.400 nan 8.270 nan 0.000 0.486 648 N N 1.878 120.560 118.700 -0.030 0.000 2.462 648 N HA -0.046 4.693 4.740 -0.001 0.000 0.242 648 N C 0.542 176.056 175.510 0.007 0.000 1.010 648 N CA 0.106 53.154 53.050 -0.003 0.000 0.939 648 N CB 1.222 39.719 38.487 0.016 0.000 1.127 648 N HN 0.180 nan 8.380 nan 0.000 0.509 649 E N 2.440 122.640 120.200 -0.001 0.000 2.284 649 E HA -0.178 4.171 4.350 -0.001 0.000 0.200 649 E C 1.237 177.846 176.600 0.015 0.000 1.008 649 E CA 1.551 57.948 56.400 -0.005 0.000 0.829 649 E CB 0.127 29.820 29.700 -0.012 0.000 0.744 649 E HN 0.775 nan 8.360 nan 0.000 0.491 650 G N 0.239 109.074 108.800 0.059 0.000 2.518 650 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.213 650 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.213 650 G C 1.550 176.595 174.900 0.243 0.000 1.226 650 G CA 0.600 45.791 45.100 0.151 0.000 0.822 650 G HN 0.207 nan 8.290 nan 0.000 0.546 651 V N 2.150 122.175 119.914 0.186 0.000 2.428 651 V HA -0.267 3.852 4.120 -0.001 0.000 0.255 651 V C 3.206 179.388 176.094 0.148 0.000 1.080 651 V CA 2.252 64.652 62.300 0.166 0.000 1.083 651 V CB -1.161 30.707 31.823 0.075 0.000 0.665 651 V HN 0.526 nan 8.190 nan 0.000 0.461 652 A N 0.058 122.929 122.820 0.085 0.000 1.819 652 A HA -0.218 4.101 4.320 -0.001 0.000 0.215 652 A C 2.380 179.983 177.584 0.031 0.000 1.226 652 A CA 2.441 54.504 52.037 0.044 0.000 0.608 652 A CB -1.432 17.572 19.000 0.006 0.000 0.877 652 A HN 0.447 nan 8.150 nan 0.000 0.452 653 T N -0.862 113.674 114.554 -0.031 0.000 2.755 653 T HA -0.255 4.095 4.350 -0.001 0.000 0.266 653 T C 1.650 176.263 174.700 -0.146 0.000 1.041 653 T CA 2.298 64.324 62.100 -0.123 0.000 1.147 653 T CB -0.539 68.199 68.868 -0.218 0.000 0.847 653 T HN 0.495 nan 8.240 nan 0.000 0.478 654 Y N 1.057 121.368 120.300 0.018 0.000 2.153 654 Y HA 0.209 4.758 4.550 -0.001 0.000 0.289 654 Y C 2.777 178.692 175.900 0.024 0.000 1.119 654 Y CA 0.418 58.533 58.100 0.026 0.000 1.116 654 Y CB -1.122 37.359 38.460 0.035 0.000 1.004 654 Y HN 0.161 nan 8.280 nan 0.000 0.501 655 A N 0.338 123.274 122.820 0.192 0.000 2.009 655 A HA -0.282 4.037 4.320 -0.001 0.000 0.222 655 A C 2.349 179.987 177.584 0.091 0.000 1.175 655 A CA 2.253 54.360 52.037 0.116 0.000 0.651 655 A CB -1.330 17.722 19.000 0.086 0.000 0.815 655 A HN 0.465 nan 8.150 nan 0.000 0.459 656 A N -0.263 122.598 122.820 0.068 0.000 1.825 656 A HA 0.211 4.531 4.320 -0.001 0.000 0.214 656 A C 2.560 180.208 177.584 0.107 0.000 1.206 656 A CA 2.180 54.245 52.037 0.048 0.000 0.609 656 A CB -1.399 17.589 19.000 -0.021 0.000 0.851 656 A HN 1.297 nan 8.150 nan 0.000 0.445 657 A N -0.709 122.168 122.820 0.094 0.000 2.042 657 A HA -0.048 4.271 4.320 -0.001 0.000 0.222 657 A C 2.175 179.884 177.584 0.209 0.000 1.167 657 A CA 2.062 54.221 52.037 0.203 0.000 0.649 657 A CB -0.963 18.105 19.000 0.113 0.000 0.809 657 A HN 0.427 nan 8.150 nan 0.000 0.457 658 V N -0.208 119.791 119.914 0.142 0.000 2.255 658 V HA -0.237 3.883 4.120 -0.001 0.000 0.243 658 V C 2.527 178.674 176.094 0.088 0.000 1.038 658 V CA 1.867 64.225 62.300 0.096 0.000 1.008 658 V CB -0.884 30.988 31.823 0.080 0.000 0.645 658 V HN 0.581 nan 8.190 nan 0.000 0.449 659 L N -0.969 120.316 121.223 0.104 0.000 1.989 659 L HA -0.213 4.127 4.340 -0.001 0.000 0.211 659 L C 2.438 179.379 176.870 0.118 0.000 1.071 659 L CA 2.123 57.018 54.840 0.093 0.000 0.749 659 L CB -0.793 41.322 42.059 0.094 0.000 0.890 659 L HN 0.382 nan 8.230 nan 0.000 0.431 660 F N 1.358 121.310 119.950 0.004 0.000 2.041 660 F HA -0.373 4.154 4.527 -0.001 0.000 0.296 660 F C 2.774 178.572 175.800 -0.003 0.000 1.147 660 F CA 2.011 60.010 58.000 -0.001 0.000 1.214 660 F CB -0.646 38.351 39.000 -0.006 0.000 0.947 660 F HN -0.074 nan 8.300 nan 0.000 0.511 661 R N -0.121 120.174 120.500 -0.342 0.000 2.083 661 R HA -0.245 4.095 4.340 -0.001 0.000 0.237 661 R C 2.445 178.606 176.300 -0.232 0.000 1.137 661 R CA 1.917 57.762 56.100 -0.426 0.000 0.951 661 R CB -0.820 29.363 30.300 -0.195 0.000 0.851 661 R HN 0.480 nan 8.270 nan 0.000 0.434 662 M N 0.807 120.343 119.600 -0.106 0.000 2.153 662 M HA -0.179 4.300 4.480 -0.001 0.000 0.253 662 M C -0.167 176.091 176.300 -0.070 0.000 1.081 662 M CA 1.567 56.831 55.300 -0.061 0.000 1.076 662 M CB 0.111 32.703 32.600 -0.013 0.000 1.350 662 M HN -0.056 nan 8.290 nan 0.000 0.401 663 S N 1.019 116.666 115.700 -0.088 0.000 2.516 663 S HA 0.415 4.885 4.470 -0.001 0.000 0.268 663 S C -0.629 173.896 174.600 -0.124 0.000 1.251 663 S CA -0.666 57.491 58.200 -0.073 0.000 1.153 663 S CB 1.106 64.290 63.200 -0.028 0.000 1.009 663 S HN 0.413 nan 8.310 nan 0.000 0.479 664 E N 0.000 120.125 120.200 -0.125 0.000 2.725 664 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 664 E CA 0.000 56.314 56.400 -0.143 0.000 0.976 664 E CB 0.000 29.556 29.700 -0.241 0.000 0.812 664 E HN 0.000 nan 8.360 nan 0.000 0.440