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 1jpp_1_A DATA FIRST_RESID 151 DATA SEQUENCE RAIPELTKLL NDEDQVVVNK AAVMVHQLSK KEASRHAIMR SPQMVSAIVR DATA SEQUENCE TMQNTNDVET ARCTAGTLHN LSHHREGLLA IFKSGGIPAL VKMLGSPVDS DATA SEQUENCE VLFYAITTLH NLLLHQEGAK MAVRLAGGLQ KMVALLNKTN VKFLAITTDC DATA SEQUENCE LQILAYGNQE SKLIILASGG PQALVNIMRT YTYEKLLWTT SRVLKVLSVC DATA SEQUENCE SSNKPAIVEA GGMQALGLHL TDPSQRLVQN CLWTLRNLSD AATKQEGMEG DATA SEQUENCE LLGTLVQLLG SDDINVVTCA AGILSNLTCN NYKNKMMVCQ VGGIEALVRT DATA SEQUENCE VLRAGDREDI TEPAICALRH LTSRHQEAEM AQNAVRLHYG LPVVVKLLHP DATA SEQUENCE PSHWPLIKAT VGLIRNLALC PANHAPLREQ GAIPRLVQLL VRAHQDXXXX DATA SEQUENCE XXXXXXXXXX VEGVRMEEIV EGCTGALHIL ARDVHNRIVI RGLNTIPLFV DATA SEQUENCE QLLYSPIENI QRVAAGVLCE LAQDKEAAEA IEAEGATAPL TELLHSRNEG DATA SEQUENCE VATYAAAVLF RMS 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 151 R HA 0.000 nan 4.340 nan 0.000 0.208 151 R C 0.000 176.305 176.300 0.008 0.000 0.893 151 R CA 0.000 56.104 56.100 0.007 0.000 0.921 151 R CB 0.000 30.304 30.300 0.006 0.000 0.687 152 A N 2.864 125.689 122.820 0.008 0.000 1.841 152 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 152 A C 2.030 179.619 177.584 0.009 0.000 1.199 152 A CA 1.883 53.925 52.037 0.008 0.000 0.621 152 A CB -0.646 18.359 19.000 0.009 0.000 0.835 152 A HN 0.182 nan 8.150 nan 0.000 0.445 153 I N 0.302 120.879 120.570 0.011 0.000 2.113 153 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 153 I C -0.363 175.760 176.117 0.011 0.000 1.057 153 I CA 2.024 63.332 61.300 0.012 0.000 1.314 153 I CB -2.614 35.395 38.000 0.016 0.000 1.022 153 I HN 0.202 nan 8.210 nan 0.000 0.408 154 P HA -0.156 nan 4.420 nan 0.000 0.221 154 P C 1.650 178.954 177.300 0.006 0.000 1.145 154 P CA 1.341 64.445 63.100 0.008 0.000 0.795 154 P CB 0.017 31.721 31.700 0.007 0.000 0.775 155 E N -0.611 119.592 120.200 0.006 0.000 2.102 155 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 155 E C 1.840 178.443 176.600 0.005 0.000 0.971 155 E CA 0.416 56.819 56.400 0.005 0.000 0.821 155 E CB -0.355 29.348 29.700 0.005 0.000 0.777 155 E HN 0.133 nan 8.360 nan 0.000 0.460 156 L N 0.559 121.786 121.223 0.007 0.000 2.056 156 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 156 L C 2.584 179.458 176.870 0.006 0.000 1.078 156 L CA 1.347 56.191 54.840 0.007 0.000 0.749 156 L CB -0.503 41.561 42.059 0.009 0.000 0.901 156 L HN 0.191 nan 8.230 nan 0.000 0.433 157 T N -0.388 114.170 114.554 0.007 0.000 2.665 157 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 157 T C 1.941 176.643 174.700 0.003 0.000 1.035 157 T CA 1.720 63.823 62.100 0.006 0.000 1.151 157 T CB -0.153 68.719 68.868 0.006 0.000 0.862 157 T HN 0.246 nan 8.240 nan 0.000 0.438 158 K N 0.508 120.910 120.400 0.003 0.000 2.097 158 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 158 K C 2.133 178.734 176.600 0.001 0.000 1.050 158 K CA 0.986 57.274 56.287 0.002 0.000 0.938 158 K CB -0.233 32.268 32.500 0.002 0.000 0.718 158 K HN 0.319 nan 8.250 nan 0.000 0.442 159 L N 1.081 122.305 121.223 0.002 0.000 2.465 159 L HA -0.070 4.269 4.340 -0.000 0.000 0.224 159 L C 1.941 178.811 176.870 0.000 0.000 1.145 159 L CA 0.251 55.092 54.840 0.001 0.000 0.834 159 L CB -0.088 41.972 42.059 0.002 0.000 0.944 159 L HN 0.213 nan 8.230 nan 0.000 0.451 160 L N -0.557 120.667 121.223 0.000 0.000 2.376 160 L HA -0.043 4.297 4.340 -0.000 0.000 0.219 160 L C 0.181 177.049 176.870 -0.004 0.000 1.133 160 L CA 0.698 55.537 54.840 -0.001 0.000 0.816 160 L CB -0.050 42.009 42.059 -0.000 0.000 0.933 160 L HN 0.361 nan 8.230 nan 0.000 0.449 161 N N -0.617 118.081 118.700 -0.003 0.000 2.824 161 N HA 0.028 4.768 4.740 -0.000 0.000 0.224 161 N C -0.269 175.239 175.510 -0.004 0.000 1.418 161 N CA -0.052 52.996 53.050 -0.004 0.000 0.743 161 N CB 1.213 39.697 38.487 -0.005 0.000 1.395 161 N HN -0.003 nan 8.380 nan 0.000 0.548 162 D N 1.223 121.621 120.400 -0.004 0.000 2.296 162 D HA 0.068 4.708 4.640 -0.000 0.000 0.248 162 D C 1.045 177.343 176.300 -0.004 0.000 1.162 162 D CA 1.304 55.302 54.000 -0.003 0.000 0.956 162 D CB 0.752 41.550 40.800 -0.003 0.000 1.011 162 D HN 0.525 nan 8.370 nan 0.000 0.404 163 E N -1.642 118.556 120.200 -0.004 0.000 1.631 163 E HA -0.046 4.304 4.350 -0.000 0.000 0.211 163 E C -1.056 175.541 176.600 -0.005 0.000 1.030 163 E CA -0.137 56.260 56.400 -0.004 0.000 1.203 163 E CB -0.224 29.473 29.700 -0.004 0.000 4.325 163 E HN 0.175 nan 8.360 nan 0.000 0.835 164 D N 1.265 121.663 120.400 -0.004 0.000 2.280 164 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 164 D C 0.954 177.251 176.300 -0.005 0.000 1.129 164 D CA 0.049 54.046 54.000 -0.004 0.000 0.848 164 D CB 1.493 42.291 40.800 -0.003 0.000 1.107 164 D HN 0.032 nan 8.370 nan 0.000 0.471 165 Q N 2.743 122.540 119.800 -0.006 0.000 2.016 165 Q HA -0.079 4.260 4.340 -0.000 0.000 0.200 165 Q C 2.134 178.130 176.000 -0.007 0.000 0.978 165 Q CA 0.843 56.642 55.803 -0.007 0.000 0.833 165 Q CB -0.677 28.056 28.738 -0.009 0.000 0.895 165 Q HN 0.488 nan 8.270 nan 0.000 0.427 166 V N 1.150 121.060 119.914 -0.006 0.000 2.357 166 V HA -0.294 3.826 4.120 -0.000 0.000 0.257 166 V C 2.478 178.570 176.094 -0.004 0.000 1.082 166 V CA 1.818 64.115 62.300 -0.005 0.000 1.078 166 V CB -0.751 31.070 31.823 -0.004 0.000 0.663 166 V HN 0.119 nan 8.190 nan 0.000 0.455 167 V N 0.152 120.064 119.914 -0.003 0.000 2.307 167 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 167 V C 2.466 178.559 176.094 -0.002 0.000 1.045 167 V CA 2.077 64.375 62.300 -0.002 0.000 1.024 167 V CB -0.580 31.242 31.823 -0.002 0.000 0.651 167 V HN 0.586 nan 8.190 nan 0.000 0.449 168 V N -0.414 119.497 119.914 -0.004 0.000 2.515 168 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 168 V C 1.947 178.036 176.094 -0.008 0.000 1.058 168 V CA 2.402 64.699 62.300 -0.006 0.000 1.064 168 V CB -1.217 30.601 31.823 -0.008 0.000 0.675 168 V HN 0.520 nan 8.190 nan 0.000 0.461 169 N N 0.677 119.371 118.700 -0.009 0.000 2.331 169 N HA -0.044 4.696 4.740 -0.000 0.000 0.180 169 N C 1.780 177.286 175.510 -0.006 0.000 1.019 169 N CA 1.372 54.415 53.050 -0.011 0.000 0.881 169 N CB -0.281 38.199 38.487 -0.012 0.000 0.972 169 N HN 0.591 nan 8.380 nan 0.000 0.435 170 K N -0.192 120.206 120.400 -0.002 0.000 2.356 170 K HA 0.259 4.579 4.320 -0.000 0.000 0.195 170 K C 1.502 178.106 176.600 0.007 0.000 1.037 170 K CA 0.221 56.509 56.287 0.003 0.000 1.014 170 K CB 0.218 32.719 32.500 0.002 0.000 0.815 170 K HN 0.117 nan 8.250 nan 0.000 0.507 171 A N 0.592 123.414 122.820 0.005 0.000 1.975 171 A HA 0.113 4.432 4.320 -0.000 0.000 0.215 171 A C 2.163 179.754 177.584 0.013 0.000 1.170 171 A CA 1.119 53.160 52.037 0.008 0.000 0.656 171 A CB -0.302 18.701 19.000 0.004 0.000 0.821 171 A HN 0.327 nan 8.150 nan 0.000 0.449 172 A N -0.102 122.722 122.820 0.007 0.000 1.902 172 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 172 A C 2.136 179.742 177.584 0.037 0.000 1.181 172 A CA 1.803 53.845 52.037 0.008 0.000 0.623 172 A CB -0.963 18.026 19.000 -0.017 0.000 0.818 172 A HN 0.417 nan 8.150 nan 0.000 0.443 173 V N -0.088 119.847 119.914 0.035 0.000 2.469 173 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 173 V C 2.581 178.722 176.094 0.078 0.000 1.064 173 V CA 2.215 64.556 62.300 0.069 0.000 1.066 173 V CB -0.817 31.032 31.823 0.042 0.000 0.667 173 V HN 0.554 nan 8.190 nan 0.000 0.461 174 M N -0.642 118.984 119.600 0.044 0.000 2.098 174 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 174 M C 2.311 178.629 176.300 0.030 0.000 1.072 174 M CA 1.541 56.857 55.300 0.027 0.000 1.133 174 M CB -0.461 32.149 32.600 0.016 0.000 1.344 174 M HN 0.228 nan 8.290 nan 0.000 0.414 175 V N -0.055 119.882 119.914 0.039 0.000 2.324 175 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 175 V C 2.352 178.484 176.094 0.063 0.000 1.060 175 V CA 2.428 64.751 62.300 0.039 0.000 1.042 175 V CB -1.182 30.662 31.823 0.036 0.000 0.650 175 V HN 0.512 nan 8.190 nan 0.000 0.450 176 H N 0.472 119.530 119.070 -0.019 0.000 2.353 176 H HA -0.178 4.378 4.556 -0.000 0.000 0.298 176 H C 2.270 177.591 175.328 -0.012 0.000 1.103 176 H CA 2.027 58.060 56.048 -0.024 0.000 1.293 176 H CB -0.104 29.635 29.762 -0.037 0.000 1.372 176 H HN 0.355 nan 8.280 nan 0.000 0.501 177 Q N -0.016 119.664 119.800 -0.201 0.000 2.230 177 Q HA -0.030 4.309 4.340 -0.000 0.000 0.202 177 Q C 2.648 178.568 176.000 -0.133 0.000 0.963 177 Q CA 0.799 56.458 55.803 -0.239 0.000 0.866 177 Q CB -0.021 28.643 28.738 -0.123 0.000 0.931 177 Q HN 0.538 nan 8.270 nan 0.000 0.452 178 L N 0.928 122.110 121.223 -0.069 0.000 2.217 178 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 178 L C 2.285 179.134 176.870 -0.035 0.000 1.107 178 L CA 1.127 55.945 54.840 -0.037 0.000 0.783 178 L CB -0.468 41.583 42.059 -0.012 0.000 0.919 178 L HN 0.192 nan 8.230 nan 0.000 0.442 179 S N -0.735 114.943 115.700 -0.038 0.000 2.547 179 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 179 S C 1.612 176.203 174.600 -0.015 0.000 0.980 179 S CA 0.536 58.729 58.200 -0.012 0.000 0.941 179 S CB -0.204 63.015 63.200 0.032 0.000 0.763 179 S HN 0.421 nan 8.310 nan 0.000 0.532 180 K N 0.755 121.126 120.400 -0.049 0.000 2.404 180 K HA 0.195 4.515 4.320 -0.000 0.000 0.194 180 K C 0.581 177.172 176.600 -0.015 0.000 1.023 180 K CA 0.513 56.783 56.287 -0.028 0.000 1.094 180 K CB 0.238 32.700 32.500 -0.063 0.000 0.841 180 K HN 0.497 nan 8.250 nan 0.000 0.523 181 K N 1.223 121.610 120.400 -0.022 0.000 2.221 181 K HA 0.158 4.478 4.320 -0.000 0.000 0.258 181 K C 0.503 177.087 176.600 -0.026 0.000 0.944 181 K CA -0.543 55.736 56.287 -0.015 0.000 0.823 181 K CB 1.513 34.006 32.500 -0.012 0.000 1.113 181 K HN -0.057 nan 8.250 nan 0.000 0.431 182 E N 1.595 121.783 120.200 -0.020 0.000 2.058 182 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 182 E C 1.858 178.442 176.600 -0.027 0.000 0.997 182 E CA 2.474 58.843 56.400 -0.053 0.000 0.801 182 E CB -0.080 29.631 29.700 0.018 0.000 0.746 182 E HN 0.773 nan 8.360 nan 0.000 0.450 183 A N -0.547 122.310 122.820 0.063 0.000 2.206 183 A HA 0.050 4.370 4.320 -0.000 0.000 0.211 183 A C 2.110 179.736 177.584 0.070 0.000 1.158 183 A CA 1.079 53.186 52.037 0.118 0.000 0.761 183 A CB -0.138 18.912 19.000 0.082 0.000 0.801 183 A HN 0.250 nan 8.150 nan 0.000 0.473 184 S N -0.191 115.521 115.700 0.019 0.000 2.387 184 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 184 S C 2.023 176.622 174.600 -0.002 0.000 1.041 184 S CA 0.677 58.883 58.200 0.010 0.000 0.959 184 S CB -0.209 62.989 63.200 -0.004 0.000 0.843 184 S HN 0.633 nan 8.310 nan 0.000 0.488 185 R N 0.881 121.348 120.500 -0.054 0.000 2.070 185 R HA -0.046 4.294 4.340 -0.000 0.000 0.233 185 R C 2.204 178.475 176.300 -0.048 0.000 1.137 185 R CA 1.414 57.467 56.100 -0.078 0.000 0.945 185 R CB -0.595 29.613 30.300 -0.152 0.000 0.845 185 R HN 0.437 nan 8.270 nan 0.000 0.430 186 H N 0.371 119.455 119.070 0.022 0.000 2.390 186 H HA -0.088 4.468 4.556 -0.000 0.000 0.298 186 H C 1.996 177.331 175.328 0.012 0.000 1.106 186 H CA 1.673 57.727 56.048 0.012 0.000 1.297 186 H CB -0.236 29.525 29.762 -0.001 0.000 1.375 186 H HN 0.333 nan 8.280 nan 0.000 0.509 187 A N 0.481 123.378 122.820 0.127 0.000 1.970 187 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 187 A C 2.645 180.260 177.584 0.052 0.000 1.170 187 A CA 0.589 52.671 52.037 0.075 0.000 0.645 187 A CB -0.425 18.608 19.000 0.055 0.000 0.816 187 A HN 0.280 nan 8.150 nan 0.000 0.447 188 I N -0.829 119.767 120.570 0.044 0.000 2.406 188 I HA -0.227 3.943 4.170 -0.000 0.000 0.249 188 I C 2.617 178.757 176.117 0.039 0.000 1.122 188 I CA 0.958 62.278 61.300 0.033 0.000 1.431 188 I CB -0.168 37.846 38.000 0.023 0.000 1.087 188 I HN 0.369 nan 8.210 nan 0.000 0.424 189 M N 0.524 120.155 119.600 0.051 0.000 2.066 189 M HA -0.199 4.281 4.480 -0.000 0.000 0.259 189 M C 1.903 178.236 176.300 0.054 0.000 1.074 189 M CA 1.725 57.060 55.300 0.057 0.000 1.114 189 M CB -0.588 32.059 32.600 0.079 0.000 1.306 189 M HN 0.172 nan 8.290 nan 0.000 0.411 190 R N 0.078 120.613 120.500 0.058 0.000 2.387 190 R HA 0.028 4.368 4.340 -0.000 0.000 0.203 190 R C 0.220 176.540 176.300 0.035 0.000 1.121 190 R CA 0.428 56.555 56.100 0.045 0.000 1.129 190 R CB -0.718 29.607 30.300 0.041 0.000 0.905 190 R HN 0.049 nan 8.270 nan 0.000 0.477 191 S N 1.252 116.972 115.700 0.034 0.000 2.516 191 S HA 0.324 4.794 4.470 -0.000 0.000 0.268 191 S C -1.971 172.643 174.600 0.024 0.000 1.251 191 S CA -1.864 56.352 58.200 0.026 0.000 1.153 191 S CB 1.304 64.518 63.200 0.024 0.000 1.009 191 S HN 0.011 nan 8.310 nan 0.000 0.479 192 P HA -0.083 nan 4.420 nan 0.000 0.231 192 P C 0.666 177.975 177.300 0.014 0.000 1.154 192 P CA 1.070 64.182 63.100 0.020 0.000 0.762 192 P CB 0.138 31.849 31.700 0.018 0.000 0.790 193 Q N -2.832 116.975 119.800 0.013 0.000 2.471 193 Q HA 0.125 4.465 4.340 -0.000 0.000 0.241 193 Q C 1.886 177.891 176.000 0.009 0.000 0.886 193 Q CA 0.214 56.023 55.803 0.009 0.000 0.953 193 Q CB -0.435 28.308 28.738 0.008 0.000 1.108 193 Q HN 0.121 nan 8.270 nan 0.000 0.575 194 M N 1.071 120.679 119.600 0.012 0.000 2.080 194 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 194 M C 1.895 178.202 176.300 0.012 0.000 1.068 194 M CA 1.594 56.902 55.300 0.013 0.000 1.109 194 M CB -0.271 32.339 32.600 0.017 0.000 1.342 194 M HN 0.007 nan 8.290 nan 0.000 0.405 195 V N -0.310 119.614 119.914 0.016 0.000 2.407 195 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 195 V C 2.300 178.399 176.094 0.009 0.000 1.055 195 V CA 2.004 64.314 62.300 0.016 0.000 1.049 195 V CB -1.144 30.693 31.823 0.024 0.000 0.662 195 V HN 0.556 nan 8.190 nan 0.000 0.455 196 S N 0.479 116.182 115.700 0.006 0.000 2.345 196 S HA -0.108 4.362 4.470 -0.000 0.000 0.220 196 S C 2.279 176.877 174.600 -0.003 0.000 1.031 196 S CA 1.296 59.496 58.200 -0.001 0.000 0.996 196 S CB -0.557 62.642 63.200 -0.002 0.000 0.882 196 S HN 0.638 nan 8.310 nan 0.000 0.445 197 A N 1.660 124.479 122.820 -0.001 0.000 1.940 197 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 197 A C 2.069 179.650 177.584 -0.005 0.000 1.176 197 A CA 1.259 53.294 52.037 -0.003 0.000 0.631 197 A CB -0.842 18.157 19.000 -0.001 0.000 0.814 197 A HN 0.490 nan 8.150 nan 0.000 0.446 198 I N -0.397 120.172 120.570 -0.003 0.000 2.226 198 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 198 I C 2.316 178.426 176.117 -0.012 0.000 1.100 198 I CA 1.291 62.587 61.300 -0.007 0.000 1.374 198 I CB -0.419 37.581 38.000 -0.001 0.000 1.057 198 I HN 0.177 nan 8.210 nan 0.000 0.413 199 V N 1.776 121.684 119.914 -0.009 0.000 2.270 199 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 199 V C 2.531 178.616 176.094 -0.014 0.000 1.043 199 V CA 2.214 64.508 62.300 -0.011 0.000 1.014 199 V CB -0.936 30.882 31.823 -0.009 0.000 0.645 199 V HN 0.520 nan 8.190 nan 0.000 0.447 200 R N 0.420 120.912 120.500 -0.014 0.000 2.241 200 R HA -0.111 4.229 4.340 -0.000 0.000 0.224 200 R C 1.906 178.197 176.300 -0.016 0.000 1.101 200 R CA 1.717 57.808 56.100 -0.014 0.000 0.995 200 R CB -1.070 29.222 30.300 -0.013 0.000 0.870 200 R HN 0.459 nan 8.270 nan 0.000 0.463 201 T N 1.560 116.104 114.554 -0.017 0.000 2.809 201 T HA -0.035 4.315 4.350 -0.000 0.000 0.260 201 T C 1.719 176.403 174.700 -0.026 0.000 1.039 201 T CA 1.206 63.294 62.100 -0.020 0.000 1.141 201 T CB -0.104 68.752 68.868 -0.020 0.000 0.869 201 T HN 0.269 nan 8.240 nan 0.000 0.437 202 M N 1.044 120.626 119.600 -0.030 0.000 2.279 202 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 202 M C 2.349 178.632 176.300 -0.028 0.000 1.062 202 M CA 1.578 56.855 55.300 -0.037 0.000 1.099 202 M CB -0.153 32.423 32.600 -0.041 0.000 1.394 202 M HN 0.234 nan 8.290 nan 0.000 0.426 203 Q N 0.159 119.946 119.800 -0.021 0.000 2.137 203 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 203 Q C 0.626 176.616 176.000 -0.016 0.000 0.960 203 Q CA 1.780 57.573 55.803 -0.017 0.000 0.847 203 Q CB 0.195 28.924 28.738 -0.014 0.000 0.915 203 Q HN 0.605 nan 8.270 nan 0.000 0.448 204 N N -0.468 118.222 118.700 -0.017 0.000 2.220 204 N HA 0.038 4.778 4.740 -0.000 0.000 0.195 204 N C -0.191 175.309 175.510 -0.017 0.000 1.123 204 N CA 0.135 53.175 53.050 -0.015 0.000 0.874 204 N CB 0.801 39.280 38.487 -0.014 0.000 0.995 204 N HN 0.044 nan 8.380 nan 0.000 0.498 205 T N -0.577 113.965 114.554 -0.020 0.000 2.734 205 T HA 0.015 4.364 4.350 -0.000 0.000 0.314 205 T C 0.844 175.531 174.700 -0.021 0.000 1.057 205 T CA 0.279 62.365 62.100 -0.022 0.000 1.047 205 T CB 0.376 69.227 68.868 -0.028 0.000 0.991 205 T HN 0.123 nan 8.240 nan 0.000 0.540 206 N N 0.419 119.106 118.700 -0.021 0.000 2.113 206 N HA 0.068 4.808 4.740 -0.000 0.000 0.223 206 N C -0.644 174.853 175.510 -0.022 0.000 1.310 206 N CA -0.170 52.868 53.050 -0.020 0.000 0.896 206 N CB 0.474 38.951 38.487 -0.016 0.000 1.097 206 N HN 0.604 nan 8.380 nan 0.000 0.507 207 D N -0.107 120.279 120.400 -0.024 0.000 2.294 207 D HA 0.201 4.841 4.640 -0.000 0.000 0.250 207 D C 1.388 177.669 176.300 -0.032 0.000 1.058 207 D CA -0.373 53.612 54.000 -0.025 0.000 0.950 207 D CB 2.251 43.036 40.800 -0.024 0.000 1.158 207 D HN -0.241 nan 8.370 nan 0.000 0.453 208 V N 2.200 122.095 119.914 -0.031 0.000 2.249 208 V HA -0.117 4.003 4.120 -0.000 0.000 0.239 208 V C 2.131 178.198 176.094 -0.046 0.000 1.038 208 V CA 1.353 63.631 62.300 -0.037 0.000 1.005 208 V CB -0.557 31.247 31.823 -0.032 0.000 0.646 208 V HN 0.629 nan 8.190 nan 0.000 0.455 209 E N -0.060 120.115 120.200 -0.041 0.000 2.209 209 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 209 E C 2.187 178.743 176.600 -0.072 0.000 0.993 209 E CA 1.743 58.112 56.400 -0.052 0.000 0.819 209 E CB -0.251 29.428 29.700 -0.035 0.000 0.745 209 E HN 0.586 nan 8.360 nan 0.000 0.477 210 T N 0.802 115.320 114.554 -0.059 0.000 2.788 210 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 210 T C 1.933 176.580 174.700 -0.088 0.000 1.044 210 T CA 1.184 63.246 62.100 -0.064 0.000 1.139 210 T CB -0.070 68.772 68.868 -0.044 0.000 0.867 210 T HN 0.248 nan 8.240 nan 0.000 0.454 211 A N 1.604 124.375 122.820 -0.082 0.000 1.872 211 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 211 A C 2.328 179.828 177.584 -0.140 0.000 1.187 211 A CA 0.983 52.965 52.037 -0.092 0.000 0.614 211 A CB -0.501 18.460 19.000 -0.066 0.000 0.826 211 A HN 0.254 nan 8.150 nan 0.000 0.442 212 R N -0.490 119.931 120.500 -0.132 0.000 2.127 212 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 212 R C 2.030 178.129 176.300 -0.336 0.000 1.134 212 R CA 1.887 57.884 56.100 -0.171 0.000 0.975 212 R CB -0.607 29.639 30.300 -0.091 0.000 0.865 212 R HN 0.610 nan 8.270 nan 0.000 0.447 213 C N -0.835 118.271 119.300 -0.322 0.000 2.492 213 C HA -0.002 4.458 4.460 -0.000 0.000 0.279 213 C C 2.811 177.535 174.990 -0.442 0.000 1.335 213 C CA 1.175 59.885 59.018 -0.513 0.000 1.734 213 C CB -0.610 26.942 27.740 -0.314 0.000 2.027 213 C HN 0.664 nan 8.230 nan 0.000 0.496 214 T N 0.056 114.458 114.554 -0.252 0.000 2.867 214 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 214 T C 1.898 176.485 174.700 -0.189 0.000 1.057 214 T CA 1.521 63.521 62.100 -0.166 0.000 1.136 214 T CB -0.399 68.408 68.868 -0.102 0.000 0.874 214 T HN 0.454 nan 8.240 nan 0.000 0.466 215 A N 1.848 124.513 122.820 -0.260 0.000 1.898 215 A HA 0.283 4.603 4.320 -0.000 0.000 0.216 215 A C 2.721 180.061 177.584 -0.406 0.000 1.181 215 A CA 1.507 53.384 52.037 -0.267 0.000 0.620 215 A CB -1.541 17.296 19.000 -0.272 0.000 0.819 215 A HN 0.604 nan 8.150 nan 0.000 0.442 216 G N -1.314 107.070 108.800 -0.694 0.000 2.443 216 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.219 216 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.219 216 G C 1.484 176.312 174.900 -0.120 0.000 1.131 216 G CA 1.556 46.276 45.100 -0.632 0.000 0.775 216 G HN 0.433 nan 8.290 nan 0.000 0.547 217 T N 1.246 115.750 114.554 -0.083 0.000 2.821 217 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 217 T C 2.388 177.111 174.700 0.038 0.000 1.046 217 T CA 0.664 62.799 62.100 0.059 0.000 1.139 217 T CB -0.120 68.773 68.868 0.041 0.000 0.871 217 T HN 0.163 nan 8.240 nan 0.000 0.454 218 L N 0.286 121.514 121.223 0.008 0.000 2.109 218 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 218 L C 2.696 179.583 176.870 0.028 0.000 1.086 218 L CA 1.144 55.995 54.840 0.018 0.000 0.760 218 L CB -0.692 41.375 42.059 0.014 0.000 0.910 218 L HN 0.374 nan 8.230 nan 0.000 0.437 219 H N 1.219 120.260 119.070 -0.047 0.000 2.387 219 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 219 H C 1.650 176.858 175.328 -0.201 0.000 1.099 219 H CA 2.054 58.072 56.048 -0.050 0.000 1.315 219 H CB -0.052 29.775 29.762 0.108 0.000 1.380 219 H HN 0.473 nan 8.280 nan 0.000 0.513 220 N N -0.031 118.727 118.700 0.098 0.000 2.354 220 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 220 N C 1.804 177.272 175.510 -0.070 0.000 1.021 220 N CA 0.076 53.141 53.050 0.025 0.000 0.887 220 N CB 0.333 38.908 38.487 0.147 0.000 0.974 220 N HN 0.228 nan 8.380 nan 0.000 0.437 221 L N 0.863 122.057 121.223 -0.049 0.000 2.395 221 L HA -0.006 4.334 4.340 -0.000 0.000 0.218 221 L C 2.242 179.080 176.870 -0.053 0.000 1.130 221 L CA 1.054 55.882 54.840 -0.020 0.000 0.826 221 L CB -0.794 41.270 42.059 0.007 0.000 0.941 221 L HN 0.245 nan 8.230 nan 0.000 0.451 222 S N -2.809 112.788 115.700 -0.172 0.000 2.558 222 S HA -0.093 4.377 4.470 -0.000 0.000 0.217 222 S C 1.412 175.903 174.600 -0.181 0.000 0.975 222 S CA 0.035 58.130 58.200 -0.174 0.000 0.912 222 S CB -0.549 62.518 63.200 -0.222 0.000 0.776 222 S HN 0.516 nan 8.310 nan 0.000 0.526 223 H N 0.570 119.541 119.070 -0.164 0.000 2.556 223 H HA 0.235 4.791 4.556 -0.000 0.000 0.268 223 H C -0.149 174.847 175.328 -0.553 0.000 0.996 223 H CA 0.428 56.283 56.048 -0.321 0.000 1.157 223 H CB 0.151 29.727 29.762 -0.309 0.000 1.355 223 H HN 0.418 nan 8.280 nan 0.000 0.597 224 H N -2.097 116.995 119.070 0.037 0.000 3.038 224 H HA 0.202 4.758 4.556 -0.000 0.000 0.362 224 H C 1.047 176.373 175.328 -0.003 0.000 1.167 224 H CA 0.046 56.100 56.048 0.010 0.000 1.197 224 H CB 1.121 30.906 29.762 0.037 0.000 1.840 224 H HN 0.242 nan 8.280 nan 0.000 0.540 225 R N 2.207 122.790 120.500 0.138 0.000 2.133 225 R HA -0.235 4.105 4.340 -0.000 0.000 0.245 225 R C 1.719 178.062 176.300 0.071 0.000 1.137 225 R CA 2.650 58.793 56.100 0.071 0.000 0.947 225 R CB -1.171 29.164 30.300 0.058 0.000 0.865 225 R HN 0.677 nan 8.270 nan 0.000 0.437 226 E N -0.293 119.960 120.200 0.087 0.000 2.085 226 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 226 E C 2.341 178.989 176.600 0.081 0.000 0.994 226 E CA 1.366 57.812 56.400 0.077 0.000 0.801 226 E CB -0.542 29.209 29.700 0.085 0.000 0.743 226 E HN 0.672 nan 8.360 nan 0.000 0.453 227 G N 0.133 108.989 108.800 0.093 0.000 2.484 227 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 227 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 227 G C 1.435 176.373 174.900 0.062 0.000 1.130 227 G CA 0.315 45.459 45.100 0.074 0.000 0.784 227 G HN 0.128 nan 8.290 nan 0.000 0.543 228 L N -0.087 121.171 121.223 0.058 0.000 2.068 228 L HA 0.099 4.438 4.340 -0.000 0.000 0.204 228 L C 2.642 179.566 176.870 0.091 0.000 1.076 228 L CA 0.192 55.067 54.840 0.057 0.000 0.753 228 L CB -0.421 41.655 42.059 0.028 0.000 0.910 228 L HN 0.112 nan 8.230 nan 0.000 0.439 229 L N 0.497 121.764 121.223 0.074 0.000 2.127 229 L HA -0.217 4.122 4.340 -0.000 0.000 0.211 229 L C 2.584 179.549 176.870 0.157 0.000 1.089 229 L CA 2.197 57.099 54.840 0.104 0.000 0.757 229 L CB -0.865 41.234 42.059 0.067 0.000 0.899 229 L HN 0.241 nan 8.230 nan 0.000 0.434 230 A N 0.003 122.890 122.820 0.113 0.000 1.872 230 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 230 A C 2.196 179.840 177.584 0.101 0.000 1.187 230 A CA 1.366 53.460 52.037 0.095 0.000 0.614 230 A CB -0.533 18.509 19.000 0.070 0.000 0.826 230 A HN 0.434 nan 8.150 nan 0.000 0.442 231 I N -1.686 118.948 120.570 0.106 0.000 2.264 231 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 231 I C 2.380 178.577 176.117 0.132 0.000 1.111 231 I CA 1.644 63.002 61.300 0.097 0.000 1.382 231 I CB -0.368 37.687 38.000 0.091 0.000 1.060 231 I HN 0.464 nan 8.210 nan 0.000 0.418 232 F N 1.892 121.852 119.950 0.016 0.000 2.075 232 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 232 F C 2.571 178.379 175.800 0.013 0.000 1.113 232 F CA 1.728 59.737 58.000 0.016 0.000 1.218 232 F CB -0.066 38.945 39.000 0.019 0.000 0.984 232 F HN -0.161 nan 8.300 nan 0.000 0.472 233 K N -0.072 120.371 120.400 0.072 0.000 2.097 233 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 233 K C 1.888 178.446 176.600 -0.070 0.000 1.049 233 K CA 1.551 57.821 56.287 -0.029 0.000 0.933 233 K CB -0.413 32.119 32.500 0.052 0.000 0.717 233 K HN 0.331 nan 8.250 nan 0.000 0.442 234 S N 0.063 115.745 115.700 -0.031 0.000 2.660 234 S HA 0.057 4.527 4.470 -0.000 0.000 0.228 234 S C 1.091 175.656 174.600 -0.058 0.000 0.966 234 S CA 0.306 58.487 58.200 -0.032 0.000 0.940 234 S CB -0.211 62.987 63.200 -0.004 0.000 0.773 234 S HN 0.422 nan 8.310 nan 0.000 0.535 235 G N 0.602 109.334 108.800 -0.112 0.000 2.314 235 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.292 235 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.292 235 G C 0.648 175.507 174.900 -0.068 0.000 1.059 235 G CA 0.024 45.051 45.100 -0.122 0.000 0.982 235 G HN 0.868 nan 8.290 nan 0.000 0.505 236 G N -0.711 108.063 108.800 -0.044 0.000 2.603 236 G HA2 0.221 4.181 3.960 -0.000 0.000 0.214 236 G HA3 0.221 4.181 3.960 -0.000 0.000 0.214 236 G C 1.726 176.631 174.900 0.009 0.000 1.140 236 G CA 0.861 45.957 45.100 -0.006 0.000 0.800 236 G HN 0.591 nan 8.290 nan 0.000 0.533 237 I N 1.320 121.895 120.570 0.009 0.000 2.179 237 I HA -0.090 4.080 4.170 -0.000 0.000 0.242 237 I C -0.201 175.926 176.117 0.017 0.000 1.088 237 I CA 0.988 62.308 61.300 0.032 0.000 1.357 237 I CB -0.779 37.253 38.000 0.054 0.000 1.051 237 I HN 0.097 nan 8.210 nan 0.000 0.409 238 P HA -0.181 nan 4.420 nan 0.000 0.216 238 P C 1.423 178.724 177.300 0.002 0.000 1.150 238 P CA 1.760 64.858 63.100 -0.004 0.000 0.837 238 P CB -0.003 31.685 31.700 -0.019 0.000 0.786 239 A N -0.713 122.107 122.820 0.000 0.000 1.898 239 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 239 A C 2.179 179.771 177.584 0.014 0.000 1.181 239 A CA 1.261 53.300 52.037 0.002 0.000 0.620 239 A CB -1.585 17.413 19.000 -0.003 0.000 0.819 239 A HN 0.095 nan 8.150 nan 0.000 0.442 240 L N -0.285 120.953 121.223 0.025 0.000 2.042 240 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 240 L C 2.518 179.415 176.870 0.046 0.000 1.076 240 L CA 1.264 56.130 54.840 0.042 0.000 0.749 240 L CB -0.734 41.359 42.059 0.058 0.000 0.893 240 L HN 0.252 nan 8.230 nan 0.000 0.432 241 V N 0.066 120.004 119.914 0.040 0.000 2.343 241 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 241 V C 2.576 178.690 176.094 0.032 0.000 1.051 241 V CA 2.049 64.373 62.300 0.040 0.000 1.036 241 V CB -0.667 31.175 31.823 0.032 0.000 0.654 241 V HN 0.469 nan 8.190 nan 0.000 0.451 242 K N -0.225 120.188 120.400 0.021 0.000 2.074 242 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 242 K C 2.060 178.668 176.600 0.013 0.000 1.048 242 K CA 1.790 58.085 56.287 0.013 0.000 0.926 242 K CB -0.163 32.340 32.500 0.005 0.000 0.713 242 K HN 0.267 nan 8.250 nan 0.000 0.444 243 M N 0.775 120.385 119.600 0.017 0.000 2.549 243 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 243 M C 1.490 177.803 176.300 0.022 0.000 1.076 243 M CA 0.963 56.271 55.300 0.014 0.000 1.090 243 M CB -0.434 32.178 32.600 0.020 0.000 1.418 243 M HN 0.194 nan 8.290 nan 0.000 0.486 244 L N -0.605 120.642 121.223 0.039 0.000 2.675 244 L HA 0.001 4.341 4.340 -0.000 0.000 0.238 244 L C 1.726 178.619 176.870 0.038 0.000 1.155 244 L CA 0.089 54.964 54.840 0.058 0.000 0.881 244 L CB -0.625 41.481 42.059 0.078 0.000 1.008 244 L HN 0.325 nan 8.230 nan 0.000 0.443 245 G N -1.679 107.128 108.800 0.012 0.000 3.519 245 G HA2 0.004 3.964 3.960 -0.000 0.000 0.269 245 G HA3 0.004 3.964 3.960 -0.000 0.000 0.269 245 G C 0.409 175.295 174.900 -0.024 0.000 1.028 245 G CA -0.092 45.009 45.100 0.001 0.000 0.809 245 G HN 0.161 nan 8.290 nan 0.000 0.521 246 S N 1.322 116.996 115.700 -0.043 0.000 2.576 246 S HA 0.358 4.828 4.470 -0.000 0.000 0.276 246 S C -0.793 173.746 174.600 -0.101 0.000 1.339 246 S CA -0.921 57.239 58.200 -0.067 0.000 1.039 246 S CB 1.503 64.659 63.200 -0.074 0.000 0.902 246 S HN 0.133 nan 8.310 nan 0.000 0.516 247 P HA 0.166 nan 4.420 nan 0.000 0.261 247 P C -0.508 176.711 177.300 -0.135 0.000 1.268 247 P CA 0.056 63.095 63.100 -0.103 0.000 0.833 247 P CB 0.073 31.734 31.700 -0.066 0.000 1.231 248 V N 1.445 121.271 119.914 -0.148 0.000 2.406 248 V HA 0.079 4.199 4.120 -0.000 0.000 0.272 248 V C 1.161 177.085 176.094 -0.283 0.000 1.043 248 V CA 0.080 62.286 62.300 -0.156 0.000 0.915 248 V CB 0.880 32.642 31.823 -0.100 0.000 0.988 248 V HN -0.139 nan 8.190 nan 0.000 0.466 249 D N 2.530 122.740 120.400 -0.317 0.000 2.092 249 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 249 D C 2.244 178.230 176.300 -0.524 0.000 0.994 249 D CA 1.962 55.595 54.000 -0.612 0.000 0.828 249 D CB -0.067 40.622 40.800 -0.186 0.000 0.963 249 D HN 0.727 nan 8.370 nan 0.000 0.450 250 S N 0.206 115.839 115.700 -0.112 0.000 2.365 250 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 250 S C 2.206 176.897 174.600 0.153 0.000 1.039 250 S CA 1.324 59.556 58.200 0.054 0.000 1.033 250 S CB -0.947 62.341 63.200 0.147 0.000 0.887 250 S HN 0.137 nan 8.310 nan 0.000 0.447 251 V N 1.588 121.541 119.914 0.066 0.000 2.515 251 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 251 V C 2.451 178.569 176.094 0.040 0.000 1.058 251 V CA 1.573 63.930 62.300 0.096 0.000 1.064 251 V CB -0.925 30.889 31.823 -0.015 0.000 0.675 251 V HN 0.387 nan 8.190 nan 0.000 0.461 252 L N -0.663 120.449 121.223 -0.184 0.000 2.044 252 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 252 L C 2.103 178.944 176.870 -0.049 0.000 1.075 252 L CA 1.922 56.626 54.840 -0.228 0.000 0.747 252 L CB -0.605 41.101 42.059 -0.589 0.000 0.903 252 L HN 0.253 nan 8.230 nan 0.000 0.435 253 F N -1.811 118.129 119.950 -0.018 0.000 2.451 253 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 253 F C 1.863 177.653 175.800 -0.016 0.000 1.101 253 F CA 0.519 58.508 58.000 -0.017 0.000 1.436 253 F CB -1.185 37.715 39.000 -0.167 0.000 1.074 253 F HN 0.113 nan 8.300 nan 0.000 0.553 254 Y N -0.324 120.092 120.300 0.194 0.000 2.159 254 Y HA 0.094 4.644 4.550 -0.000 0.000 0.285 254 Y C 2.601 178.622 175.900 0.202 0.000 1.106 254 Y CA 0.908 59.111 58.100 0.171 0.000 1.095 254 Y CB -1.206 37.297 38.460 0.071 0.000 1.015 254 Y HN -0.054 nan 8.280 nan 0.000 0.491 255 A N 0.772 123.795 122.820 0.338 0.000 1.887 255 A HA -0.377 3.943 4.320 -0.000 0.000 0.225 255 A C 2.175 179.888 177.584 0.215 0.000 1.464 255 A CA 2.695 54.864 52.037 0.219 0.000 0.717 255 A CB -1.505 17.587 19.000 0.153 0.000 0.848 255 A HN 0.514 nan 8.150 nan 0.000 0.477 256 I N 0.190 120.902 120.570 0.238 0.000 2.185 256 I HA -0.260 3.910 4.170 -0.000 0.000 0.246 256 I C 2.706 178.949 176.117 0.209 0.000 1.088 256 I CA 2.841 64.272 61.300 0.219 0.000 1.347 256 I CB -0.443 37.719 38.000 0.270 0.000 1.041 256 I HN 0.629 nan 8.210 nan 0.000 0.415 257 T N -4.132 110.560 114.554 0.229 0.000 2.951 257 T HA -0.089 4.260 4.350 -0.000 0.000 0.268 257 T C 1.776 176.574 174.700 0.163 0.000 1.073 257 T CA 1.565 63.779 62.100 0.190 0.000 1.134 257 T CB -0.970 68.031 68.868 0.222 0.000 0.884 257 T HN 0.321 nan 8.240 nan 0.000 0.479 258 T N 2.091 116.744 114.554 0.165 0.000 2.857 258 T HA 0.226 4.576 4.350 -0.000 0.000 0.266 258 T C 1.865 176.623 174.700 0.096 0.000 1.048 258 T CA 0.721 62.868 62.100 0.078 0.000 1.139 258 T CB -0.362 68.566 68.868 0.099 0.000 0.874 258 T HN 0.259 nan 8.240 nan 0.000 0.455 259 L N 0.259 121.558 121.223 0.127 0.000 2.056 259 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 259 L C 2.726 179.662 176.870 0.111 0.000 1.078 259 L CA 1.288 56.193 54.840 0.109 0.000 0.749 259 L CB -0.599 41.523 42.059 0.105 0.000 0.901 259 L HN 0.391 nan 8.230 nan 0.000 0.433 260 H N 0.718 119.818 119.070 0.050 0.000 2.353 260 H HA -0.197 4.359 4.556 -0.000 0.000 0.298 260 H C 1.936 177.294 175.328 0.051 0.000 1.103 260 H CA 2.272 58.344 56.048 0.040 0.000 1.293 260 H CB 0.149 29.938 29.762 0.045 0.000 1.372 260 H HN 0.327 nan 8.280 nan 0.000 0.501 261 N N 0.390 119.218 118.700 0.214 0.000 2.142 261 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 261 N C 2.380 177.970 175.510 0.134 0.000 1.023 261 N CA 0.755 53.915 53.050 0.184 0.000 0.852 261 N CB -0.440 38.102 38.487 0.091 0.000 0.998 261 N HN 0.294 nan 8.380 nan 0.000 0.424 262 L N 0.232 121.502 121.223 0.078 0.000 2.083 262 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 262 L C 1.929 178.805 176.870 0.010 0.000 1.083 262 L CA 0.816 55.689 54.840 0.055 0.000 0.752 262 L CB -0.302 41.802 42.059 0.076 0.000 0.899 262 L HN 0.199 nan 8.230 nan 0.000 0.433 263 L N -0.859 120.350 121.223 -0.023 0.000 2.141 263 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 263 L C 2.345 179.133 176.870 -0.137 0.000 1.094 263 L CA 1.040 55.831 54.840 -0.081 0.000 0.763 263 L CB -0.335 41.651 42.059 -0.120 0.000 0.908 263 L HN 0.288 nan 8.230 nan 0.000 0.437 264 L N -1.427 119.701 121.223 -0.158 0.000 2.179 264 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 264 L C 1.559 178.110 176.870 -0.532 0.000 1.096 264 L CA 0.989 55.630 54.840 -0.330 0.000 0.779 264 L CB -0.230 41.637 42.059 -0.320 0.000 0.922 264 L HN 0.356 nan 8.230 nan 0.000 0.443 265 H N -3.437 115.597 119.070 -0.060 0.000 3.398 265 H HA 0.207 4.763 4.556 -0.000 0.000 0.260 265 H C -0.054 175.222 175.328 -0.087 0.000 1.189 265 H CA -0.345 55.670 56.048 -0.056 0.000 1.145 265 H CB 0.557 30.302 29.762 -0.028 0.000 1.599 265 H HN 0.010 nan 8.280 nan 0.000 0.615 266 Q N 2.417 122.196 119.800 -0.034 0.000 2.322 266 Q HA 0.162 4.502 4.340 -0.000 0.000 0.265 266 Q C -0.626 175.227 176.000 -0.246 0.000 0.985 266 Q CA -0.799 54.900 55.803 -0.174 0.000 0.849 266 Q CB 1.052 29.644 28.738 -0.243 0.000 1.274 266 Q HN 0.496 nan 8.270 nan 0.000 0.449 267 E N 2.963 123.001 120.200 -0.271 0.000 2.180 267 E HA 0.474 4.824 4.350 -0.000 0.000 0.283 267 E C 0.222 176.647 176.600 -0.290 0.000 1.061 267 E CA 0.096 56.369 56.400 -0.211 0.000 0.861 267 E CB 0.320 29.943 29.700 -0.128 0.000 1.056 267 E HN 0.852 nan 8.360 nan 0.000 0.407 268 G N 2.942 111.657 108.800 -0.143 0.000 2.480 268 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.193 268 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.193 268 G C 1.059 176.061 174.900 0.169 0.000 1.004 268 G CA 0.095 45.222 45.100 0.046 0.000 0.696 268 G HN 0.771 nan 8.290 nan 0.000 0.478 269 A N 1.054 123.895 122.820 0.034 0.000 1.892 269 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 269 A C 2.161 179.809 177.584 0.107 0.000 1.188 269 A CA 2.499 54.626 52.037 0.150 0.000 0.631 269 A CB -0.583 18.436 19.000 0.033 0.000 0.822 269 A HN 0.532 nan 8.150 nan 0.000 0.447 270 K N -0.965 119.462 120.400 0.044 0.000 2.044 270 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 270 K C 2.154 178.782 176.600 0.047 0.000 1.049 270 K CA 1.952 58.257 56.287 0.031 0.000 0.927 270 K CB -0.383 32.123 32.500 0.009 0.000 0.713 270 K HN 0.562 nan 8.250 nan 0.000 0.443 271 M N 0.379 120.016 119.600 0.062 0.000 2.117 271 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 271 M C 2.511 178.848 176.300 0.062 0.000 1.065 271 M CA 1.665 56.999 55.300 0.058 0.000 1.114 271 M CB -0.453 32.188 32.600 0.067 0.000 1.361 271 M HN 0.242 nan 8.290 nan 0.000 0.408 272 A N 0.064 122.941 122.820 0.095 0.000 1.858 272 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 272 A C 2.208 179.823 177.584 0.053 0.000 1.190 272 A CA 1.687 53.767 52.037 0.073 0.000 0.617 272 A CB -1.116 17.951 19.000 0.111 0.000 0.827 272 A HN 0.285 nan 8.150 nan 0.000 0.443 273 V N 0.230 120.182 119.914 0.064 0.000 2.688 273 V HA -0.270 3.850 4.120 -0.000 0.000 0.256 273 V C 2.546 178.659 176.094 0.032 0.000 1.084 273 V CA 2.167 64.495 62.300 0.047 0.000 1.103 273 V CB -0.936 30.915 31.823 0.046 0.000 0.688 273 V HN 0.496 nan 8.190 nan 0.000 0.480 274 R N -0.827 119.691 120.500 0.030 0.000 2.153 274 R HA 0.090 4.430 4.340 -0.000 0.000 0.218 274 R C 2.165 178.475 176.300 0.017 0.000 1.072 274 R CA 0.781 56.894 56.100 0.021 0.000 0.990 274 R CB -0.124 30.188 30.300 0.019 0.000 0.889 274 R HN 0.430 nan 8.270 nan 0.000 0.452 275 L N -0.131 121.102 121.223 0.017 0.000 2.095 275 L HA 0.007 4.347 4.340 -0.000 0.000 0.204 275 L C 2.506 179.381 176.870 0.008 0.000 1.080 275 L CA 0.801 55.647 54.840 0.010 0.000 0.759 275 L CB -0.454 41.608 42.059 0.005 0.000 0.914 275 L HN 0.174 nan 8.230 nan 0.000 0.439 276 A N 0.022 122.848 122.820 0.010 0.000 2.076 276 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 276 A C 1.543 179.135 177.584 0.013 0.000 1.160 276 A CA 1.116 53.158 52.037 0.010 0.000 0.653 276 A CB -0.815 18.193 19.000 0.014 0.000 0.801 276 A HN 0.575 nan 8.150 nan 0.000 0.455 277 G N -1.999 106.810 108.800 0.014 0.000 2.401 277 G HA2 0.034 3.994 3.960 -0.000 0.000 0.283 277 G HA3 0.034 3.994 3.960 -0.000 0.000 0.283 277 G C 0.763 175.674 174.900 0.018 0.000 1.117 277 G CA 0.326 45.435 45.100 0.014 0.000 1.051 277 G HN 1.279 nan 8.290 nan 0.000 0.510 278 G N -0.932 107.880 108.800 0.021 0.000 2.985 278 G HA2 0.341 4.301 3.960 -0.000 0.000 0.209 278 G HA3 0.341 4.301 3.960 -0.000 0.000 0.209 278 G C 1.601 176.514 174.900 0.021 0.000 1.165 278 G CA 0.829 45.944 45.100 0.025 0.000 0.776 278 G HN 0.590 nan 8.290 nan 0.000 0.541 279 L N -0.636 120.597 121.223 0.016 0.000 2.102 279 L HA 0.016 4.356 4.340 -0.000 0.000 0.202 279 L C 2.857 179.736 176.870 0.015 0.000 1.076 279 L CA 0.877 55.725 54.840 0.013 0.000 0.761 279 L CB -0.273 41.792 42.059 0.010 0.000 0.921 279 L HN 0.189 nan 8.230 nan 0.000 0.444 280 Q N 0.623 120.433 119.800 0.016 0.000 2.224 280 Q HA -0.197 4.143 4.340 -0.000 0.000 0.203 280 Q C 1.971 177.985 176.000 0.024 0.000 0.970 280 Q CA 1.345 57.159 55.803 0.018 0.000 0.865 280 Q CB 0.229 28.976 28.738 0.016 0.000 0.922 280 Q HN 0.462 nan 8.270 nan 0.000 0.445 281 K N -0.196 120.221 120.400 0.028 0.000 2.007 281 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 281 K C 2.246 178.873 176.600 0.044 0.000 1.047 281 K CA 1.187 57.496 56.287 0.037 0.000 0.937 281 K CB -0.101 32.423 32.500 0.040 0.000 0.718 281 K HN 0.221 nan 8.250 nan 0.000 0.438 282 M N 0.816 120.436 119.600 0.034 0.000 2.149 282 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 282 M C 2.107 178.417 176.300 0.017 0.000 1.064 282 M CA 1.283 56.595 55.300 0.021 0.000 1.102 282 M CB -0.165 32.437 32.600 0.004 0.000 1.369 282 M HN -0.066 nan 8.290 nan 0.000 0.408 283 V N -0.139 119.787 119.914 0.020 0.000 2.667 283 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 283 V C 2.451 178.568 176.094 0.038 0.000 1.065 283 V CA 1.645 63.959 62.300 0.023 0.000 1.083 283 V CB -1.065 30.769 31.823 0.019 0.000 0.692 283 V HN 0.498 nan 8.190 nan 0.000 0.468 284 A N -0.444 122.404 122.820 0.046 0.000 2.066 284 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 284 A C 2.047 179.680 177.584 0.083 0.000 1.157 284 A CA 1.014 53.085 52.037 0.056 0.000 0.670 284 A CB -0.332 18.697 19.000 0.049 0.000 0.804 284 A HN 0.520 nan 8.150 nan 0.000 0.453 285 L N -0.431 120.853 121.223 0.103 0.000 2.558 285 L HA 0.104 4.444 4.340 -0.000 0.000 0.225 285 L C 1.484 178.461 176.870 0.177 0.000 1.128 285 L CA 0.026 54.976 54.840 0.184 0.000 0.868 285 L CB -0.158 42.047 42.059 0.244 0.000 1.006 285 L HN 0.343 nan 8.230 nan 0.000 0.454 286 L N 0.489 121.772 121.223 0.100 0.000 2.633 286 L HA -0.132 4.208 4.340 -0.000 0.000 0.235 286 L C 1.647 178.594 176.870 0.128 0.000 1.163 286 L CA 0.889 55.784 54.840 0.090 0.000 0.859 286 L CB -0.592 41.502 42.059 0.058 0.000 0.973 286 L HN 0.554 nan 8.230 nan 0.000 0.451 287 N N -1.963 116.820 118.700 0.138 0.000 2.299 287 N HA -0.011 4.729 4.740 -0.000 0.000 0.187 287 N C 0.774 176.379 175.510 0.159 0.000 1.099 287 N CA -0.290 52.840 53.050 0.134 0.000 0.867 287 N CB 0.364 38.909 38.487 0.097 0.000 0.974 287 N HN -0.039 nan 8.380 nan 0.000 0.477 288 K N 0.379 120.901 120.400 0.203 0.000 2.159 288 K HA 0.029 4.349 4.320 -0.000 0.000 0.242 288 K C 0.920 177.632 176.600 0.186 0.000 1.043 288 K CA 0.831 57.240 56.287 0.204 0.000 0.856 288 K CB 0.318 33.009 32.500 0.320 0.000 1.072 288 K HN 0.358 nan 8.250 nan 0.000 0.514 289 T N -3.189 111.444 114.554 0.132 0.000 3.043 289 T HA 0.040 4.390 4.350 -0.000 0.000 0.272 289 T C 0.384 175.053 174.700 -0.052 0.000 0.990 289 T CA -0.409 61.732 62.100 0.069 0.000 0.897 289 T CB -0.016 68.904 68.868 0.086 0.000 1.111 289 T HN 0.337 nan 8.240 nan 0.000 0.529 290 N N 2.852 121.552 118.700 -0.000 0.000 2.439 290 N HA 0.098 4.838 4.740 -0.000 0.000 0.243 290 N C 1.699 177.129 175.510 -0.133 0.000 1.088 290 N CA 0.096 53.089 53.050 -0.095 0.000 0.940 290 N CB 1.673 40.084 38.487 -0.127 0.000 1.180 290 N HN 0.255 nan 8.380 nan 0.000 0.505 291 V N 2.723 122.454 119.914 -0.306 0.000 2.546 291 V HA -0.208 3.912 4.120 -0.000 0.000 0.254 291 V C 1.879 177.797 176.094 -0.294 0.000 1.076 291 V CA 1.459 63.542 62.300 -0.361 0.000 1.087 291 V CB -0.414 31.119 31.823 -0.483 0.000 0.674 291 V HN 0.499 nan 8.190 nan 0.000 0.470 292 K N -0.852 119.356 120.400 -0.320 0.000 2.167 292 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 292 K C 1.946 178.484 176.600 -0.104 0.000 1.052 292 K CA 1.404 57.544 56.287 -0.245 0.000 0.956 292 K CB -0.280 32.054 32.500 -0.278 0.000 0.735 292 K HN 0.578 nan 8.250 nan 0.000 0.451 293 F N 2.253 122.047 119.950 -0.259 0.000 2.102 293 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 293 F C 1.703 177.478 175.800 -0.041 0.000 1.105 293 F CA 1.306 59.211 58.000 -0.160 0.000 1.239 293 F CB -0.416 38.519 39.000 -0.109 0.000 0.991 293 F HN -0.135 nan 8.300 nan 0.000 0.474 294 L N 0.193 121.335 121.223 -0.136 0.000 2.012 294 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 294 L C 2.851 179.635 176.870 -0.143 0.000 1.073 294 L CA 1.320 56.044 54.840 -0.192 0.000 0.748 294 L CB -1.540 40.485 42.059 -0.057 0.000 0.891 294 L HN 0.251 nan 8.230 nan 0.000 0.431 295 A N 0.556 123.340 122.820 -0.059 0.000 1.892 295 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 295 A C 2.233 179.801 177.584 -0.028 0.000 1.188 295 A CA 2.038 54.082 52.037 0.012 0.000 0.631 295 A CB -0.798 18.266 19.000 0.108 0.000 0.822 295 A HN 0.407 nan 8.150 nan 0.000 0.447 296 I N -0.742 119.777 120.570 -0.084 0.000 2.252 296 I HA -0.194 3.975 4.170 -0.000 0.000 0.245 296 I C 2.554 178.641 176.117 -0.050 0.000 1.102 296 I CA 1.669 62.919 61.300 -0.084 0.000 1.385 296 I CB -0.715 37.213 38.000 -0.119 0.000 1.064 296 I HN 0.284 nan 8.210 nan 0.000 0.414 297 T N 0.150 114.587 114.554 -0.196 0.000 2.701 297 T HA -0.172 4.178 4.350 -0.000 0.000 0.263 297 T C 2.004 176.647 174.700 -0.095 0.000 1.040 297 T CA 2.170 64.153 62.100 -0.195 0.000 1.147 297 T CB -0.628 68.001 68.868 -0.397 0.000 0.865 297 T HN 0.538 nan 8.240 nan 0.000 0.426 298 T N 0.547 115.047 114.554 -0.090 0.000 2.833 298 T HA -0.159 4.190 4.350 -0.000 0.000 0.269 298 T C 1.672 176.336 174.700 -0.059 0.000 1.054 298 T CA 1.749 63.811 62.100 -0.063 0.000 1.135 298 T CB -0.599 68.236 68.868 -0.056 0.000 0.869 298 T HN 0.387 nan 8.240 nan 0.000 0.466 299 D N -0.402 119.980 120.400 -0.030 0.000 2.269 299 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 299 D C 1.836 178.116 176.300 -0.033 0.000 0.963 299 D CA 0.550 54.536 54.000 -0.024 0.000 0.864 299 D CB -0.450 40.401 40.800 0.086 0.000 0.936 299 D HN 0.464 nan 8.370 nan 0.000 0.505 300 C N -0.357 118.941 119.300 -0.003 0.000 2.464 300 C HA 0.136 4.596 4.460 -0.000 0.000 0.278 300 C C 2.506 177.469 174.990 -0.045 0.000 1.375 300 C CA 0.007 59.005 59.018 -0.034 0.000 1.761 300 C CB -0.920 26.828 27.740 0.013 0.000 1.944 300 C HN 0.452 nan 8.230 nan 0.000 0.509 301 L N 0.242 121.441 121.223 -0.040 0.000 2.109 301 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 301 L C 2.845 179.692 176.870 -0.038 0.000 1.086 301 L CA 1.263 56.082 54.840 -0.034 0.000 0.760 301 L CB -0.741 41.299 42.059 -0.033 0.000 0.910 301 L HN 0.391 nan 8.230 nan 0.000 0.437 302 Q N 0.686 120.448 119.800 -0.063 0.000 2.167 302 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 302 Q C 2.188 178.152 176.000 -0.060 0.000 0.970 302 Q CA 1.404 57.163 55.803 -0.073 0.000 0.855 302 Q CB 0.088 28.743 28.738 -0.139 0.000 0.911 302 Q HN 0.573 nan 8.270 nan 0.000 0.438 303 I N 0.356 120.876 120.570 -0.082 0.000 2.353 303 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 303 I C 2.125 178.234 176.117 -0.014 0.000 1.119 303 I CA 0.723 61.976 61.300 -0.080 0.000 1.417 303 I CB -0.141 37.782 38.000 -0.127 0.000 1.078 303 I HN 0.161 nan 8.210 nan 0.000 0.421 304 L N 0.419 121.634 121.223 -0.014 0.000 2.240 304 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 304 L C 2.528 179.411 176.870 0.022 0.000 1.106 304 L CA 0.714 55.556 54.840 0.004 0.000 0.793 304 L CB -0.421 41.636 42.059 -0.004 0.000 0.927 304 L HN 0.169 nan 8.230 nan 0.000 0.446 305 A N -1.481 121.357 122.820 0.030 0.000 2.218 305 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 305 A C 0.605 178.227 177.584 0.063 0.000 1.168 305 A CA -0.066 51.990 52.037 0.032 0.000 0.804 305 A CB -0.336 18.676 19.000 0.019 0.000 0.834 305 A HN 0.279 nan 8.150 nan 0.000 0.482 306 Y N 1.077 121.345 120.300 -0.052 0.000 2.480 306 Y HA 0.380 4.930 4.550 -0.000 0.000 0.341 306 Y C 1.332 177.208 175.900 -0.041 0.000 1.031 306 Y CA 0.313 58.381 58.100 -0.053 0.000 1.295 306 Y CB 0.140 38.560 38.460 -0.067 0.000 1.162 306 Y HN 0.432 nan 8.280 nan 0.000 0.523 307 G N 4.352 112.884 108.800 -0.447 0.000 2.176 307 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 307 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 307 G C -0.254 174.557 174.900 -0.148 0.000 1.024 307 G CA 0.260 45.156 45.100 -0.341 0.000 0.755 307 G HN 0.742 nan 8.290 nan 0.000 0.507 308 N N -0.466 118.175 118.700 -0.099 0.000 2.533 308 N HA 0.341 5.081 4.740 -0.000 0.000 0.289 308 N C 0.839 176.325 175.510 -0.041 0.000 1.103 308 N CA -0.401 52.617 53.050 -0.052 0.000 0.877 308 N CB 1.683 40.155 38.487 -0.026 0.000 1.419 308 N HN 0.113 nan 8.380 nan 0.000 0.517 309 Q N 2.147 121.925 119.800 -0.037 0.000 2.187 309 Q HA 0.055 4.395 4.340 -0.000 0.000 0.199 309 Q C 0.977 176.967 176.000 -0.016 0.000 0.957 309 Q CA 1.525 57.312 55.803 -0.027 0.000 0.857 309 Q CB 0.291 29.014 28.738 -0.026 0.000 0.929 309 Q HN 0.573 nan 8.270 nan 0.000 0.453 310 E N -0.301 119.891 120.200 -0.014 0.000 2.118 310 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 310 E C 1.953 178.550 176.600 -0.005 0.000 0.992 310 E CA 1.411 57.806 56.400 -0.008 0.000 0.804 310 E CB -0.096 29.600 29.700 -0.006 0.000 0.741 310 E HN 0.305 nan 8.360 nan 0.000 0.458 311 S N 1.098 116.795 115.700 -0.006 0.000 2.387 311 S HA -0.064 4.406 4.470 -0.000 0.000 0.226 311 S C 1.837 176.436 174.600 -0.002 0.000 1.026 311 S CA 0.834 59.033 58.200 -0.002 0.000 0.972 311 S CB -0.028 63.171 63.200 -0.001 0.000 0.814 311 S HN 0.221 nan 8.310 nan 0.000 0.477 312 K N 1.025 121.422 120.400 -0.006 0.000 2.211 312 K HA 0.104 4.424 4.320 -0.000 0.000 0.203 312 K C 1.809 178.408 176.600 -0.002 0.000 1.050 312 K CA 0.710 56.995 56.287 -0.004 0.000 0.945 312 K CB -0.243 32.253 32.500 -0.008 0.000 0.732 312 K HN 0.291 nan 8.250 nan 0.000 0.451 313 L N 0.631 121.852 121.223 -0.003 0.000 2.156 313 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 313 L C 2.174 179.045 176.870 0.002 0.000 1.095 313 L CA 0.784 55.624 54.840 -0.001 0.000 0.770 313 L CB -0.184 41.874 42.059 -0.002 0.000 0.914 313 L HN 0.161 nan 8.230 nan 0.000 0.439 314 I N -0.286 120.286 120.570 0.002 0.000 2.286 314 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 314 I C 2.376 178.497 176.117 0.005 0.000 1.104 314 I CA 1.216 62.518 61.300 0.004 0.000 1.397 314 I CB -0.113 37.890 38.000 0.005 0.000 1.072 314 I HN 0.141 nan 8.210 nan 0.000 0.417 315 I N 0.440 121.013 120.570 0.004 0.000 2.127 315 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 315 I C 2.604 178.725 176.117 0.006 0.000 1.075 315 I CA 1.344 62.647 61.300 0.005 0.000 1.334 315 I CB -0.399 37.602 38.000 0.003 0.000 1.040 315 I HN 0.249 nan 8.210 nan 0.000 0.405 316 L N 1.474 122.700 121.223 0.005 0.000 2.012 316 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 316 L C 2.530 179.404 176.870 0.007 0.000 1.073 316 L CA 2.296 57.139 54.840 0.006 0.000 0.748 316 L CB -0.847 41.215 42.059 0.005 0.000 0.891 316 L HN 0.207 nan 8.230 nan 0.000 0.431 317 A N -1.918 120.905 122.820 0.006 0.000 2.070 317 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 317 A C 2.186 179.775 177.584 0.008 0.000 1.159 317 A CA 1.650 53.691 52.037 0.007 0.000 0.656 317 A CB -0.614 18.389 19.000 0.006 0.000 0.800 317 A HN 0.538 nan 8.150 nan 0.000 0.453 318 S N -1.281 114.424 115.700 0.009 0.000 2.575 318 S HA 0.386 4.856 4.470 -0.000 0.000 0.215 318 S C 1.073 175.681 174.600 0.014 0.000 0.966 318 S CA 0.520 58.727 58.200 0.012 0.000 0.911 318 S CB 0.070 63.277 63.200 0.013 0.000 0.780 318 S HN 1.617 nan 8.310 nan 0.000 0.514 319 G N 1.289 110.097 108.800 0.012 0.000 2.341 319 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.278 319 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.278 319 G C 0.659 175.568 174.900 0.015 0.000 1.111 319 G CA 0.058 45.166 45.100 0.014 0.000 0.982 319 G HN 0.564 nan 8.290 nan 0.000 0.502 320 G N 0.098 108.906 108.800 0.013 0.000 2.395 320 G HA2 0.183 4.143 3.960 -0.000 0.000 0.214 320 G HA3 0.183 4.143 3.960 -0.000 0.000 0.214 320 G C 0.155 175.064 174.900 0.015 0.000 1.177 320 G CA 1.246 46.355 45.100 0.014 0.000 0.794 320 G HN 0.514 nan 8.290 nan 0.000 0.532 321 P HA -0.179 nan 4.420 nan 0.000 0.217 321 P C 1.626 178.936 177.300 0.016 0.000 1.162 321 P CA 1.650 64.758 63.100 0.014 0.000 0.901 321 P CB -0.024 31.683 31.700 0.012 0.000 0.793 322 Q N -1.448 118.362 119.800 0.016 0.000 2.253 322 Q HA 0.268 4.608 4.340 -0.000 0.000 0.210 322 Q C 1.020 177.031 176.000 0.019 0.000 0.907 322 Q CA 0.559 56.372 55.803 0.016 0.000 0.948 322 Q CB -0.247 28.498 28.738 0.013 0.000 1.033 322 Q HN 0.160 nan 8.270 nan 0.000 0.471 323 A N 0.464 123.298 122.820 0.024 0.000 1.988 323 A HA 0.237 4.557 4.320 -0.000 0.000 0.201 323 A C 1.978 179.585 177.584 0.038 0.000 1.410 323 A CA -0.038 52.018 52.037 0.032 0.000 0.832 323 A CB -0.168 18.852 19.000 0.034 0.000 0.981 323 A HN 0.265 nan 8.150 nan 0.000 0.492 324 L N 0.002 121.244 121.223 0.033 0.000 2.027 324 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 324 L C 2.448 179.341 176.870 0.039 0.000 1.074 324 L CA 1.075 55.937 54.840 0.036 0.000 0.745 324 L CB -0.566 41.506 42.059 0.021 0.000 0.898 324 L HN 0.215 nan 8.230 nan 0.000 0.433 325 V N 0.449 120.382 119.914 0.031 0.000 2.324 325 V HA -0.367 3.753 4.120 -0.000 0.000 0.250 325 V C 2.365 178.476 176.094 0.028 0.000 1.060 325 V CA 2.238 64.558 62.300 0.032 0.000 1.042 325 V CB -0.855 30.983 31.823 0.025 0.000 0.650 325 V HN 0.611 nan 8.190 nan 0.000 0.450 326 N N 0.140 118.850 118.700 0.018 0.000 2.104 326 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 326 N C 1.930 177.423 175.510 -0.028 0.000 1.024 326 N CA 1.805 54.851 53.050 -0.007 0.000 0.853 326 N CB -0.092 38.392 38.487 -0.005 0.000 1.008 326 N HN 0.480 nan 8.380 nan 0.000 0.424 327 I N 1.105 121.692 120.570 0.028 0.000 2.163 327 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 327 I C 2.350 178.512 176.117 0.076 0.000 1.085 327 I CA 1.004 62.355 61.300 0.086 0.000 1.347 327 I CB -0.234 37.871 38.000 0.175 0.000 1.044 327 I HN 0.229 nan 8.210 nan 0.000 0.408 328 M N 0.511 120.160 119.600 0.082 0.000 2.267 328 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 328 M C 1.726 178.141 176.300 0.190 0.000 1.063 328 M CA 1.608 56.983 55.300 0.125 0.000 1.090 328 M CB -1.105 31.564 32.600 0.114 0.000 1.392 328 M HN 0.385 nan 8.290 nan 0.000 0.422 329 R N -1.357 119.186 120.500 0.073 0.000 2.696 329 R HA 0.298 4.638 4.340 -0.000 0.000 0.355 329 R C 0.461 176.734 176.300 -0.045 0.000 1.138 329 R CA 0.076 56.197 56.100 0.036 0.000 1.059 329 R CB -0.016 30.289 30.300 0.008 0.000 1.380 329 R HN -0.038 nan 8.270 nan 0.000 0.578 330 T N -1.443 113.043 114.554 -0.112 0.000 3.254 330 T HA 0.203 4.553 4.350 -0.000 0.000 0.267 330 T C -0.614 173.929 174.700 -0.260 0.000 0.946 330 T CA 0.191 62.115 62.100 -0.294 0.000 0.991 330 T CB -0.039 68.461 68.868 -0.614 0.000 1.205 330 T HN 0.065 nan 8.240 nan 0.000 0.494 331 Y N 1.634 121.992 120.300 0.095 0.000 2.545 331 Y HA 0.527 5.077 4.550 -0.000 0.000 0.324 331 Y C 1.727 177.704 175.900 0.129 0.000 1.220 331 Y CA -0.908 57.253 58.100 0.101 0.000 1.290 331 Y CB 0.704 39.222 38.460 0.098 0.000 1.355 331 Y HN 0.092 nan 8.280 nan 0.000 0.516 332 T N -4.283 110.467 114.554 0.327 0.000 3.009 332 T HA 0.102 4.452 4.350 -0.000 0.000 0.267 332 T C -0.197 174.627 174.700 0.207 0.000 0.942 332 T CA -0.141 62.099 62.100 0.234 0.000 0.883 332 T CB -0.716 68.263 68.868 0.185 0.000 1.192 332 T HN 0.352 nan 8.240 nan 0.000 0.524 333 Y N 3.616 123.965 120.300 0.083 0.000 2.802 333 Y HA 0.148 4.698 4.550 -0.000 0.000 0.333 333 Y C 1.688 177.610 175.900 0.036 0.000 1.244 333 Y CA -0.685 57.436 58.100 0.035 0.000 1.558 333 Y CB 0.613 39.070 38.460 -0.005 0.000 1.233 333 Y HN 0.146 nan 8.280 nan 0.000 0.547 334 E N 5.021 125.017 120.200 -0.340 0.000 2.051 334 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 334 E C 1.647 178.076 176.600 -0.285 0.000 0.991 334 E CA 1.633 57.869 56.400 -0.274 0.000 0.799 334 E CB 0.030 29.581 29.700 -0.249 0.000 0.748 334 E HN 0.851 nan 8.360 nan 0.000 0.449 335 K N 0.193 120.229 120.400 -0.606 0.000 2.280 335 K HA -0.148 4.171 4.320 -0.000 0.000 0.202 335 K C 2.246 178.895 176.600 0.081 0.000 1.047 335 K CA 0.709 56.865 56.287 -0.218 0.000 0.942 335 K CB -0.045 32.305 32.500 -0.250 0.000 0.739 335 K HN 0.072 nan 8.250 nan 0.000 0.457 336 L N 0.671 121.962 121.223 0.114 0.000 2.102 336 L HA 0.006 4.346 4.340 -0.000 0.000 0.202 336 L C 1.688 178.628 176.870 0.116 0.000 1.076 336 L CA 1.325 56.290 54.840 0.209 0.000 0.761 336 L CB -0.250 41.991 42.059 0.304 0.000 0.921 336 L HN 0.117 nan 8.230 nan 0.000 0.444 337 L N -1.512 119.757 121.223 0.077 0.000 2.265 337 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 337 L C 2.233 179.130 176.870 0.044 0.000 1.117 337 L CA 1.162 56.004 54.840 0.003 0.000 0.782 337 L CB -0.537 41.448 42.059 -0.123 0.000 0.914 337 L HN 0.549 nan 8.230 nan 0.000 0.441 338 W N 0.905 122.147 121.300 -0.097 0.000 2.441 338 W HA -0.167 4.492 4.660 -0.000 0.000 0.302 338 W C 2.804 179.289 176.519 -0.057 0.000 1.191 338 W CA 1.793 59.088 57.345 -0.083 0.000 1.327 338 W CB -0.499 28.904 29.460 -0.094 0.000 1.128 338 W HN 0.187 nan 8.180 nan 0.000 0.522 339 T N -2.790 111.656 114.554 -0.180 0.000 2.904 339 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 339 T C 1.628 176.182 174.700 -0.245 0.000 1.059 339 T CA 1.928 63.793 62.100 -0.392 0.000 1.137 339 T CB -1.038 67.719 68.868 -0.185 0.000 0.879 339 T HN 0.062 nan 8.240 nan 0.000 0.467 340 T N 2.407 116.894 114.554 -0.113 0.000 2.915 340 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 340 T C 2.373 177.023 174.700 -0.084 0.000 1.071 340 T CA 1.461 63.520 62.100 -0.068 0.000 1.132 340 T CB -0.471 68.393 68.868 -0.006 0.000 0.878 340 T HN 0.760 nan 8.240 nan 0.000 0.479 341 S N 1.487 117.118 115.700 -0.115 0.000 2.425 341 S HA 0.048 4.518 4.470 -0.000 0.000 0.225 341 S C 2.035 176.549 174.600 -0.144 0.000 1.024 341 S CA 0.025 58.171 58.200 -0.091 0.000 0.951 341 S CB -0.211 62.956 63.200 -0.056 0.000 0.796 341 S HN 0.311 nan 8.310 nan 0.000 0.498 342 R N 0.705 121.039 120.500 -0.277 0.000 2.152 342 R HA 0.052 4.392 4.340 -0.000 0.000 0.232 342 R C 2.108 178.296 176.300 -0.187 0.000 1.117 342 R CA 1.137 57.051 56.100 -0.310 0.000 0.981 342 R CB -0.741 29.239 30.300 -0.534 0.000 0.870 342 R HN 0.400 nan 8.270 nan 0.000 0.451 343 V N 1.318 121.144 119.914 -0.147 0.000 2.302 343 V HA -0.166 3.954 4.120 -0.000 0.000 0.243 343 V C 2.444 178.510 176.094 -0.046 0.000 1.036 343 V CA 1.242 63.491 62.300 -0.084 0.000 1.020 343 V CB -0.364 31.418 31.823 -0.069 0.000 0.657 343 V HN 0.220 nan 8.190 nan 0.000 0.453 344 L N 0.093 121.294 121.223 -0.038 0.000 2.043 344 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 344 L C 2.603 179.475 176.870 0.003 0.000 1.075 344 L CA 2.102 56.936 54.840 -0.009 0.000 0.752 344 L CB -0.623 41.437 42.059 0.001 0.000 0.891 344 L HN 0.364 nan 8.230 nan 0.000 0.432 345 K N 0.220 120.615 120.400 -0.008 0.000 1.991 345 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 345 K C 1.977 178.592 176.600 0.026 0.000 1.049 345 K CA 1.955 58.252 56.287 0.016 0.000 0.932 345 K CB -0.119 32.370 32.500 -0.018 0.000 0.717 345 K HN 0.098 nan 8.250 nan 0.000 0.441 346 V N 1.979 121.901 119.914 0.013 0.000 2.453 346 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 346 V C 2.275 178.384 176.094 0.025 0.000 1.068 346 V CA 1.634 63.958 62.300 0.040 0.000 1.070 346 V CB -0.438 31.423 31.823 0.063 0.000 0.664 346 V HN 0.341 nan 8.190 nan 0.000 0.461 347 L N 0.680 121.913 121.223 0.017 0.000 2.240 347 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 347 L C 2.579 179.461 176.870 0.020 0.000 1.106 347 L CA 1.353 56.201 54.840 0.013 0.000 0.793 347 L CB -0.607 41.457 42.059 0.009 0.000 0.927 347 L HN 0.540 nan 8.230 nan 0.000 0.446 348 S N -0.972 114.747 115.700 0.032 0.000 2.507 348 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 348 S C 1.794 176.420 174.600 0.044 0.000 0.988 348 S CA 0.547 58.772 58.200 0.041 0.000 0.944 348 S CB -0.485 62.750 63.200 0.058 0.000 0.762 348 S HN 0.160 nan 8.310 nan 0.000 0.526 349 V N 2.400 122.339 119.914 0.040 0.000 2.255 349 V HA -0.103 4.017 4.120 -0.000 0.000 0.243 349 V C 2.158 178.264 176.094 0.021 0.000 1.038 349 V CA 0.946 63.269 62.300 0.037 0.000 1.008 349 V CB -1.305 30.534 31.823 0.027 0.000 0.645 349 V HN 0.928 nan 8.190 nan 0.000 0.449 350 C N 0.107 119.412 119.300 0.009 0.000 2.727 350 C HA 0.213 4.673 4.460 -0.000 0.000 0.401 350 C C 2.081 177.076 174.990 0.008 0.000 1.294 350 C CA -0.037 58.983 59.018 0.003 0.000 2.134 350 C CB 0.184 27.922 27.740 -0.004 0.000 2.724 350 C HN 0.395 nan 8.230 nan 0.000 0.677 351 S N 0.661 116.364 115.700 0.005 0.000 2.558 351 S HA -0.018 4.452 4.470 -0.000 0.000 0.217 351 S C 1.865 176.468 174.600 0.005 0.000 0.975 351 S CA 0.741 58.945 58.200 0.006 0.000 0.912 351 S CB -0.098 63.105 63.200 0.005 0.000 0.776 351 S HN 0.882 nan 8.310 nan 0.000 0.526 352 S N 1.714 117.416 115.700 0.004 0.000 2.468 352 S HA 0.142 4.612 4.470 -0.000 0.000 0.226 352 S C 1.555 176.158 174.600 0.005 0.000 1.051 352 S CA -0.008 58.194 58.200 0.003 0.000 0.943 352 S CB -0.133 63.068 63.200 0.001 0.000 0.810 352 S HN 0.356 nan 8.310 nan 0.000 0.509 353 N N 1.641 120.344 118.700 0.005 0.000 2.521 353 N HA 0.119 4.859 4.740 -0.000 0.000 0.188 353 N C 1.290 176.806 175.510 0.010 0.000 1.146 353 N CA 0.465 53.520 53.050 0.007 0.000 0.893 353 N CB 0.066 38.556 38.487 0.006 0.000 0.975 353 N HN 0.364 nan 8.380 nan 0.000 0.451 354 K N 0.269 120.675 120.400 0.011 0.000 2.005 354 K HA 0.026 4.346 4.320 -0.000 0.000 0.206 354 K C -0.808 175.800 176.600 0.012 0.000 1.044 354 K CA 0.915 57.211 56.287 0.014 0.000 0.942 354 K CB -0.691 31.818 32.500 0.015 0.000 0.727 354 K HN 0.077 nan 8.250 nan 0.000 0.439 355 P HA -0.153 nan 4.420 nan 0.000 0.219 355 P C 0.761 178.065 177.300 0.007 0.000 1.146 355 P CA 1.330 64.435 63.100 0.007 0.000 0.808 355 P CB 0.044 31.747 31.700 0.005 0.000 0.779 356 A N -0.813 122.012 122.820 0.008 0.000 1.972 356 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 356 A C 2.102 179.692 177.584 0.010 0.000 1.169 356 A CA 1.266 53.308 52.037 0.008 0.000 0.635 356 A CB -1.376 17.629 19.000 0.008 0.000 0.810 356 A HN 0.152 nan 8.150 nan 0.000 0.446 357 I N -0.626 119.951 120.570 0.012 0.000 2.333 357 I HA -0.141 4.029 4.170 -0.000 0.000 0.246 357 I C 2.169 178.294 176.117 0.014 0.000 1.106 357 I CA 0.854 62.162 61.300 0.015 0.000 1.411 357 I CB -0.391 37.620 38.000 0.018 0.000 1.082 357 I HN 0.110 nan 8.210 nan 0.000 0.420 358 V N 0.875 120.796 119.914 0.012 0.000 2.515 358 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 358 V C 2.292 178.390 176.094 0.005 0.000 1.058 358 V CA 1.665 63.970 62.300 0.009 0.000 1.064 358 V CB -0.688 31.139 31.823 0.007 0.000 0.675 358 V HN 0.419 nan 8.190 nan 0.000 0.461 359 E N 0.326 120.529 120.200 0.005 0.000 2.152 359 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 359 E C 2.348 178.950 176.600 0.004 0.000 0.983 359 E CA 1.130 57.532 56.400 0.003 0.000 0.818 359 E CB -0.246 29.456 29.700 0.003 0.000 0.758 359 E HN 0.609 nan 8.360 nan 0.000 0.467 360 A N 0.379 123.203 122.820 0.006 0.000 1.898 360 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 360 A C 1.840 179.427 177.584 0.006 0.000 1.181 360 A CA 1.597 53.638 52.037 0.007 0.000 0.620 360 A CB -0.235 18.771 19.000 0.010 0.000 0.819 360 A HN 0.378 nan 8.150 nan 0.000 0.442 361 G N -3.115 105.689 108.800 0.007 0.000 2.161 361 G HA2 0.090 4.050 3.960 -0.000 0.000 0.140 361 G HA3 0.090 4.050 3.960 -0.000 0.000 0.140 361 G C 0.997 175.905 174.900 0.013 0.000 1.040 361 G CA 0.413 45.517 45.100 0.007 0.000 0.735 361 G HN 1.120 nan 8.290 nan 0.000 0.496 362 G N 0.474 109.285 108.800 0.017 0.000 2.462 362 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 362 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 362 G C 1.793 176.711 174.900 0.030 0.000 1.121 362 G CA 1.617 46.732 45.100 0.026 0.000 0.758 362 G HN 0.416 nan 8.290 nan 0.000 0.559 363 M N -0.094 119.519 119.600 0.021 0.000 2.132 363 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 363 M C 2.600 178.912 176.300 0.019 0.000 1.065 363 M CA 1.224 56.536 55.300 0.020 0.000 1.122 363 M CB -0.963 31.644 32.600 0.011 0.000 1.365 363 M HN 0.218 nan 8.290 nan 0.000 0.411 364 Q N -0.029 119.778 119.800 0.012 0.000 2.187 364 Q HA 0.099 4.439 4.340 -0.000 0.000 0.199 364 Q C 2.134 178.140 176.000 0.010 0.000 0.957 364 Q CA 1.585 57.391 55.803 0.005 0.000 0.857 364 Q CB -0.429 28.307 28.738 -0.003 0.000 0.929 364 Q HN 0.555 nan 8.270 nan 0.000 0.453 365 A N 0.013 122.849 122.820 0.025 0.000 2.014 365 A HA -0.027 4.292 4.320 -0.000 0.000 0.218 365 A C 1.816 179.455 177.584 0.092 0.000 1.163 365 A CA 0.778 52.842 52.037 0.046 0.000 0.652 365 A CB -0.268 18.762 19.000 0.050 0.000 0.808 365 A HN 0.329 nan 8.150 nan 0.000 0.449 366 L N -1.280 119.993 121.223 0.084 0.000 2.446 366 L HA 0.062 4.402 4.340 -0.000 0.000 0.219 366 L C 2.527 179.457 176.870 0.101 0.000 1.116 366 L CA 0.598 55.509 54.840 0.118 0.000 0.844 366 L CB -0.194 41.918 42.059 0.088 0.000 0.970 366 L HN 0.480 nan 8.230 nan 0.000 0.457 367 G N -0.123 108.707 108.800 0.049 0.000 2.448 367 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 367 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 367 G C 1.572 176.465 174.900 -0.011 0.000 1.135 367 G CA 0.115 45.230 45.100 0.024 0.000 0.784 367 G HN 0.196 nan 8.290 nan 0.000 0.543 368 L N 0.073 121.257 121.223 -0.066 0.000 2.081 368 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 368 L C 1.803 178.475 176.870 -0.330 0.000 1.080 368 L CA 0.918 55.620 54.840 -0.230 0.000 0.754 368 L CB -0.268 41.567 42.059 -0.374 0.000 0.893 368 L HN 0.326 nan 8.230 nan 0.000 0.433 369 H N -0.683 118.406 119.070 0.031 0.000 2.524 369 H HA 0.173 4.729 4.556 -0.000 0.000 0.299 369 H C 1.733 177.082 175.328 0.036 0.000 1.074 369 H CA -0.008 56.062 56.048 0.036 0.000 1.115 369 H CB 0.398 30.188 29.762 0.047 0.000 1.522 369 H HN 0.353 nan 8.280 nan 0.000 0.543 370 L N 0.625 121.901 121.223 0.088 0.000 2.291 370 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 370 L C 1.435 178.338 176.870 0.056 0.000 1.120 370 L CA 1.294 56.177 54.840 0.072 0.000 0.799 370 L CB 0.047 42.133 42.059 0.045 0.000 0.925 370 L HN 0.224 nan 8.230 nan 0.000 0.446 371 T N -5.109 109.471 114.554 0.044 0.000 3.266 371 T HA 0.241 4.591 4.350 -0.000 0.000 0.278 371 T C -0.080 174.644 174.700 0.040 0.000 1.010 371 T CA -0.645 61.474 62.100 0.033 0.000 0.909 371 T CB -0.118 68.759 68.868 0.016 0.000 1.122 371 T HN -0.079 nan 8.240 nan 0.000 0.536 372 D N 2.644 123.083 120.400 0.065 0.000 2.283 372 D HA 0.335 4.975 4.640 -0.000 0.000 0.248 372 D C -1.386 174.938 176.300 0.040 0.000 1.072 372 D CA -2.007 52.034 54.000 0.068 0.000 0.929 372 D CB 1.190 42.061 40.800 0.119 0.000 1.182 372 D HN -0.044 nan 8.370 nan 0.000 0.433 373 P HA -0.065 nan 4.420 nan 0.000 0.223 373 P C 0.000 177.294 177.300 -0.011 0.000 1.144 373 P CA 0.712 63.815 63.100 0.004 0.000 0.783 373 P CB 0.284 31.982 31.700 -0.004 0.000 0.771 374 S N -0.307 115.387 115.700 -0.011 0.000 2.481 374 S HA 0.054 4.523 4.470 -0.000 0.000 0.276 374 S C 1.251 175.841 174.600 -0.016 0.000 1.247 374 S CA -0.344 57.833 58.200 -0.038 0.000 1.053 374 S CB 0.227 63.395 63.200 -0.054 0.000 0.925 374 S HN 0.090 nan 8.310 nan 0.000 0.491 375 Q N 3.701 123.481 119.800 -0.033 0.000 2.046 375 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 375 Q C 2.322 178.330 176.000 0.014 0.000 0.975 375 Q CA 1.455 57.254 55.803 -0.006 0.000 0.836 375 Q CB -0.114 28.614 28.738 -0.018 0.000 0.896 375 Q HN 0.866 nan 8.270 nan 0.000 0.428 376 R N 0.305 120.790 120.500 -0.026 0.000 2.115 376 R HA -0.115 4.224 4.340 -0.000 0.000 0.230 376 R C 2.060 178.451 176.300 0.152 0.000 1.111 376 R CA 1.107 57.228 56.100 0.037 0.000 0.976 376 R CB -0.492 29.747 30.300 -0.103 0.000 0.870 376 R HN 0.145 nan 8.270 nan 0.000 0.445 377 L N 1.222 122.511 121.223 0.109 0.000 2.156 377 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 377 L C 2.044 178.990 176.870 0.127 0.000 1.095 377 L CA 1.172 56.106 54.840 0.156 0.000 0.770 377 L CB 0.083 42.193 42.059 0.085 0.000 0.914 377 L HN 0.033 nan 8.230 nan 0.000 0.439 378 V N -0.761 119.215 119.914 0.103 0.000 2.719 378 V HA -0.172 3.948 4.120 -0.000 0.000 0.252 378 V C 2.405 178.573 176.094 0.123 0.000 1.065 378 V CA 1.377 63.740 62.300 0.105 0.000 1.086 378 V CB -0.318 31.553 31.823 0.080 0.000 0.700 378 V HN 0.496 nan 8.190 nan 0.000 0.467 379 Q N 0.614 120.495 119.800 0.136 0.000 2.123 379 Q HA -0.057 4.283 4.340 -0.000 0.000 0.196 379 Q C 2.048 178.182 176.000 0.223 0.000 0.958 379 Q CA 1.435 57.348 55.803 0.183 0.000 0.841 379 Q CB -0.305 28.534 28.738 0.169 0.000 0.915 379 Q HN 0.524 nan 8.270 nan 0.000 0.455 380 N N -0.708 118.092 118.700 0.166 0.000 2.244 380 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 380 N C 1.536 177.134 175.510 0.147 0.000 1.016 380 N CA 1.160 54.286 53.050 0.127 0.000 0.866 380 N CB -0.405 38.127 38.487 0.075 0.000 0.980 380 N HN 0.303 nan 8.380 nan 0.000 0.430 381 C N 0.471 119.855 119.300 0.140 0.000 2.440 381 C HA 0.070 4.529 4.460 -0.000 0.000 0.278 381 C C 2.755 177.827 174.990 0.136 0.000 1.295 381 C CA 0.122 59.215 59.018 0.125 0.000 1.738 381 C CB -1.031 26.782 27.740 0.123 0.000 1.987 381 C HN 0.406 nan 8.230 nan 0.000 0.492 382 L N -1.421 119.896 121.223 0.158 0.000 2.072 382 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 382 L C 2.496 179.463 176.870 0.162 0.000 1.079 382 L CA 1.532 56.452 54.840 0.133 0.000 0.752 382 L CB -0.563 41.564 42.059 0.113 0.000 0.906 382 L HN 0.429 nan 8.230 nan 0.000 0.436 383 W N 0.703 122.022 121.300 0.032 0.000 2.338 383 W HA -0.201 4.459 4.660 -0.000 0.000 0.304 383 W C 2.769 179.303 176.519 0.024 0.000 1.212 383 W CA 2.003 59.365 57.345 0.028 0.000 1.264 383 W CB -0.798 28.680 29.460 0.029 0.000 1.142 383 W HN 0.078 nan 8.180 nan 0.000 0.512 384 T N 0.547 115.257 114.554 0.260 0.000 2.788 384 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 384 T C 1.856 176.617 174.700 0.101 0.000 1.044 384 T CA 1.350 63.544 62.100 0.156 0.000 1.139 384 T CB -0.615 68.320 68.868 0.112 0.000 0.867 384 T HN 0.059 nan 8.240 nan 0.000 0.454 385 L N 0.305 121.579 121.223 0.085 0.000 2.291 385 L HA 0.069 4.409 4.340 -0.000 0.000 0.214 385 L C 2.774 179.663 176.870 0.032 0.000 1.120 385 L CA 0.882 55.753 54.840 0.052 0.000 0.799 385 L CB -0.352 41.735 42.059 0.046 0.000 0.925 385 L HN 0.120 nan 8.230 nan 0.000 0.446 386 R N -0.020 120.494 120.500 0.022 0.000 2.119 386 R HA -0.094 4.246 4.340 -0.000 0.000 0.222 386 R C 1.944 178.245 176.300 0.002 0.000 1.088 386 R CA 1.052 57.142 56.100 -0.016 0.000 0.984 386 R CB 0.081 30.328 30.300 -0.089 0.000 0.884 386 R HN 0.298 nan 8.270 nan 0.000 0.447 387 N N 0.252 118.975 118.700 0.038 0.000 2.216 387 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 387 N C 1.549 177.081 175.510 0.037 0.000 1.017 387 N CA 1.056 54.135 53.050 0.049 0.000 0.861 387 N CB 0.023 38.564 38.487 0.090 0.000 0.986 387 N HN 0.197 nan 8.380 nan 0.000 0.428 388 L N 0.223 121.468 121.223 0.036 0.000 2.131 388 L HA -0.032 4.308 4.340 -0.000 0.000 0.206 388 L C 2.259 179.140 176.870 0.018 0.000 1.087 388 L CA 0.731 55.587 54.840 0.027 0.000 0.767 388 L CB -0.791 41.285 42.059 0.029 0.000 0.917 388 L HN 0.175 nan 8.230 nan 0.000 0.441 389 S N 1.048 116.758 115.700 0.016 0.000 2.426 389 S HA -0.347 4.123 4.470 -0.000 0.000 0.253 389 S C 1.460 176.066 174.600 0.010 0.000 1.104 389 S CA 2.047 60.254 58.200 0.011 0.000 1.158 389 S CB -1.199 62.006 63.200 0.008 0.000 1.043 389 S HN 0.718 nan 8.310 nan 0.000 0.443 390 D N 1.517 121.923 120.400 0.011 0.000 2.358 390 D HA 0.242 4.882 4.640 -0.000 0.000 0.241 390 D C 1.006 177.309 176.300 0.005 0.000 1.094 390 D CA 0.789 54.794 54.000 0.009 0.000 0.907 390 D CB -0.066 40.740 40.800 0.011 0.000 0.893 390 D HN 0.708 nan 8.370 nan 0.000 0.528 391 A N -0.428 122.395 122.820 0.005 0.000 2.671 391 A HA 0.570 4.889 4.320 -0.000 0.000 0.265 391 A C 1.378 178.961 177.584 -0.000 0.000 1.148 391 A CA 0.159 52.198 52.037 0.003 0.000 0.977 391 A CB 0.742 19.745 19.000 0.006 0.000 1.242 391 A HN 0.231 nan 8.150 nan 0.000 0.591 392 A N 0.215 123.034 122.820 -0.001 0.000 2.535 392 A HA 0.351 4.671 4.320 -0.000 0.000 0.273 392 A C 1.452 179.028 177.584 -0.013 0.000 1.267 392 A CA 0.969 53.003 52.037 -0.005 0.000 0.940 392 A CB -0.964 18.035 19.000 -0.001 0.000 1.101 392 A HN 0.602 nan 8.150 nan 0.000 0.521 393 T N -2.478 112.067 114.554 -0.015 0.000 3.320 393 T HA 0.080 4.430 4.350 -0.000 0.000 0.258 393 T C 0.862 175.541 174.700 -0.034 0.000 1.176 393 T CA 1.176 63.262 62.100 -0.024 0.000 1.037 393 T CB -0.416 68.437 68.868 -0.025 0.000 0.958 393 T HN 0.472 nan 8.240 nan 0.000 0.545 394 K N -0.549 119.832 120.400 -0.032 0.000 2.585 394 K HA 0.168 4.488 4.320 -0.000 0.000 0.210 394 K C 0.059 176.635 176.600 -0.041 0.000 1.294 394 K CA -0.400 55.864 56.287 -0.039 0.000 1.025 394 K CB 0.706 33.189 32.500 -0.028 0.000 1.076 394 K HN 0.189 nan 8.250 nan 0.000 0.613 395 Q N 2.046 121.825 119.800 -0.035 0.000 2.311 395 Q HA 0.063 4.403 4.340 -0.000 0.000 0.272 395 Q C 0.119 176.092 176.000 -0.045 0.000 1.012 395 Q CA 0.713 56.497 55.803 -0.032 0.000 0.891 395 Q CB 0.814 29.538 28.738 -0.023 0.000 1.201 395 Q HN 0.144 nan 8.270 nan 0.000 0.391 396 E N 0.073 120.247 120.200 -0.043 0.000 2.376 396 E HA 0.175 4.525 4.350 -0.000 0.000 0.254 396 E C 0.409 176.984 176.600 -0.042 0.000 1.213 396 E CA 0.131 56.500 56.400 -0.052 0.000 0.945 396 E CB 0.437 30.111 29.700 -0.044 0.000 1.057 396 E HN 0.840 nan 8.360 nan 0.000 0.479 397 G N 1.524 110.297 108.800 -0.044 0.000 2.366 397 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.299 397 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.299 397 G C 0.534 175.415 174.900 -0.031 0.000 1.020 397 G CA 0.447 45.527 45.100 -0.034 0.000 1.026 397 G HN 0.217 nan 8.290 nan 0.000 0.512 398 M N -0.905 118.673 119.600 -0.038 0.000 2.371 398 M HA 0.167 4.647 4.480 -0.000 0.000 0.246 398 M C 1.775 178.057 176.300 -0.029 0.000 1.103 398 M CA 0.310 55.592 55.300 -0.030 0.000 1.010 398 M CB 0.115 32.696 32.600 -0.033 0.000 1.457 398 M HN 0.318 nan 8.290 nan 0.000 0.486 399 E N 0.414 120.594 120.200 -0.033 0.000 2.333 399 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 399 E C 2.027 178.615 176.600 -0.020 0.000 1.007 399 E CA 1.237 57.620 56.400 -0.029 0.000 0.845 399 E CB -0.285 29.397 29.700 -0.029 0.000 0.766 399 E HN 0.577 nan 8.360 nan 0.000 0.507 400 G N 0.505 109.293 108.800 -0.019 0.000 2.417 400 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.212 400 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.212 400 G C 1.446 176.338 174.900 -0.014 0.000 1.187 400 G CA 0.299 45.390 45.100 -0.016 0.000 0.804 400 G HN 0.237 nan 8.290 nan 0.000 0.534 401 L N 0.613 121.828 121.223 -0.013 0.000 2.083 401 L HA 0.174 4.513 4.340 -0.000 0.000 0.209 401 L C 2.558 179.424 176.870 -0.007 0.000 1.083 401 L CA 1.230 56.065 54.840 -0.008 0.000 0.752 401 L CB -0.350 41.706 42.059 -0.005 0.000 0.899 401 L HN 0.163 nan 8.230 nan 0.000 0.433 402 L N -0.768 120.448 121.223 -0.010 0.000 2.191 402 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 402 L C 2.404 179.270 176.870 -0.007 0.000 1.103 402 L CA 0.988 55.822 54.840 -0.009 0.000 0.769 402 L CB -1.181 40.869 42.059 -0.015 0.000 0.908 402 L HN 0.485 nan 8.230 nan 0.000 0.438 403 G N -0.685 108.111 108.800 -0.008 0.000 2.434 403 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.214 403 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.214 403 G C 1.531 176.429 174.900 -0.005 0.000 1.202 403 G CA 1.156 46.252 45.100 -0.006 0.000 0.788 403 G HN 0.244 nan 8.290 nan 0.000 0.539 404 T N 1.725 116.277 114.554 -0.004 0.000 2.635 404 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 404 T C 2.443 177.143 174.700 0.001 0.000 1.040 404 T CA 1.258 63.357 62.100 -0.002 0.000 1.156 404 T CB -0.392 68.475 68.868 -0.001 0.000 0.863 404 T HN 0.139 nan 8.240 nan 0.000 0.430 405 L N 0.822 122.046 121.223 0.001 0.000 2.051 405 L HA -0.176 4.164 4.340 -0.000 0.000 0.214 405 L C 2.661 179.531 176.870 -0.001 0.000 1.076 405 L CA 1.129 55.970 54.840 0.002 0.000 0.758 405 L CB -0.900 41.160 42.059 0.002 0.000 0.890 405 L HN 0.186 nan 8.230 nan 0.000 0.433 406 V N -0.824 119.088 119.914 -0.003 0.000 2.295 406 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 406 V C 2.422 178.513 176.094 -0.006 0.000 1.049 406 V CA 1.748 64.045 62.300 -0.005 0.000 1.024 406 V CB -0.650 31.169 31.823 -0.006 0.000 0.648 406 V HN 0.492 nan 8.190 nan 0.000 0.447 407 Q N -0.311 119.486 119.800 -0.004 0.000 2.135 407 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 407 Q C 2.113 178.112 176.000 -0.002 0.000 0.981 407 Q CA 1.333 57.134 55.803 -0.003 0.000 0.856 407 Q CB -0.264 28.473 28.738 -0.002 0.000 0.902 407 Q HN 0.548 nan 8.270 nan 0.000 0.425 408 L N 0.741 121.964 121.223 0.001 0.000 2.633 408 L HA -0.110 4.230 4.340 -0.000 0.000 0.235 408 L C 1.754 178.625 176.870 0.001 0.000 1.163 408 L CA 0.147 54.990 54.840 0.004 0.000 0.859 408 L CB -0.183 41.882 42.059 0.009 0.000 0.973 408 L HN 0.266 nan 8.230 nan 0.000 0.451 409 L N -0.522 120.699 121.223 -0.003 0.000 2.179 409 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 409 L C 1.547 178.414 176.870 -0.005 0.000 1.096 409 L CA 0.344 55.180 54.840 -0.006 0.000 0.779 409 L CB -0.326 41.727 42.059 -0.010 0.000 0.922 409 L HN 0.248 nan 8.230 nan 0.000 0.443 410 G N -0.170 108.627 108.800 -0.005 0.000 2.639 410 G HA2 0.353 4.313 3.960 -0.000 0.000 0.312 410 G HA3 0.353 4.313 3.960 -0.000 0.000 0.312 410 G C -0.469 174.430 174.900 -0.001 0.000 0.911 410 G CA 0.087 45.184 45.100 -0.005 0.000 1.410 410 G HN 0.069 nan 8.290 nan 0.000 0.469 411 S N 0.799 116.500 115.700 0.001 0.000 2.607 411 S HA 0.394 4.864 4.470 -0.000 0.000 0.273 411 S C 0.682 175.285 174.600 0.005 0.000 1.148 411 S CA -0.295 57.908 58.200 0.005 0.000 0.833 411 S CB 1.665 64.870 63.200 0.009 0.000 1.130 411 S HN 0.509 nan 8.310 nan 0.000 0.470 412 D N 0.715 121.119 120.400 0.006 0.000 2.305 412 D HA -0.019 4.620 4.640 -0.000 0.000 0.206 412 D C -0.045 176.261 176.300 0.010 0.000 0.974 412 D CA 0.161 54.164 54.000 0.006 0.000 0.871 412 D CB -0.241 40.563 40.800 0.005 0.000 0.947 412 D HN 0.463 nan 8.370 nan 0.000 0.516 413 D N 1.040 121.448 120.400 0.014 0.000 2.312 413 D HA 0.092 4.732 4.640 -0.000 0.000 0.252 413 D C 0.486 176.797 176.300 0.018 0.000 1.150 413 D CA -0.397 53.615 54.000 0.020 0.000 0.870 413 D CB 1.592 42.408 40.800 0.028 0.000 1.153 413 D HN 0.064 nan 8.370 nan 0.000 0.457 414 I N 3.749 124.331 120.570 0.019 0.000 3.793 414 I HA -0.031 4.139 4.170 -0.000 0.000 0.315 414 I C 0.847 176.974 176.117 0.016 0.000 1.275 414 I CA 0.040 61.349 61.300 0.014 0.000 1.214 414 I CB 0.119 38.126 38.000 0.012 0.000 1.018 414 I HN 0.222 nan 8.210 nan 0.000 0.439 415 N N -0.273 118.445 118.700 0.030 0.000 2.388 415 N HA 0.032 4.772 4.740 -0.000 0.000 0.176 415 N C 1.652 177.178 175.510 0.027 0.000 1.062 415 N CA 0.743 53.816 53.050 0.039 0.000 0.895 415 N CB 0.512 39.050 38.487 0.085 0.000 1.018 415 N HN 0.205 nan 8.380 nan 0.000 0.456 416 V N 0.589 120.521 119.914 0.030 0.000 2.788 416 V HA -0.027 4.093 4.120 -0.000 0.000 0.251 416 V C 2.265 178.363 176.094 0.007 0.000 1.068 416 V CA 0.751 63.066 62.300 0.026 0.000 1.090 416 V CB -0.043 31.799 31.823 0.031 0.000 0.710 416 V HN -0.010 nan 8.190 nan 0.000 0.467 417 V N -0.161 119.754 119.914 0.001 0.000 2.346 417 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 417 V C 2.579 178.661 176.094 -0.020 0.000 1.037 417 V CA 2.457 64.753 62.300 -0.007 0.000 1.029 417 V CB -0.831 30.988 31.823 -0.005 0.000 0.663 417 V HN 0.558 nan 8.190 nan 0.000 0.454 418 T N -0.961 113.577 114.554 -0.027 0.000 2.684 418 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 418 T C 1.957 176.612 174.700 -0.074 0.000 1.036 418 T CA 2.052 64.123 62.100 -0.049 0.000 1.148 418 T CB -0.533 68.302 68.868 -0.055 0.000 0.863 418 T HN 0.492 nan 8.240 nan 0.000 0.436 419 C N 1.393 120.643 119.300 -0.084 0.000 2.440 419 C HA 0.156 4.616 4.460 -0.000 0.000 0.278 419 C C 3.200 178.155 174.990 -0.059 0.000 1.295 419 C CA 0.304 59.258 59.018 -0.107 0.000 1.738 419 C CB -1.359 26.321 27.740 -0.100 0.000 1.987 419 C HN 0.663 nan 8.230 nan 0.000 0.492 420 A N 0.160 122.961 122.820 -0.033 0.000 1.968 420 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 420 A C 2.298 179.869 177.584 -0.021 0.000 1.169 420 A CA 1.740 53.767 52.037 -0.018 0.000 0.638 420 A CB -0.642 18.353 19.000 -0.007 0.000 0.812 420 A HN 0.540 nan 8.150 nan 0.000 0.446 421 A N -0.151 122.651 122.820 -0.029 0.000 1.845 421 A HA 0.120 4.440 4.320 -0.000 0.000 0.215 421 A C 2.454 180.020 177.584 -0.030 0.000 1.195 421 A CA 1.934 53.953 52.037 -0.029 0.000 0.616 421 A CB -1.527 17.453 19.000 -0.033 0.000 0.832 421 A HN 0.732 nan 8.150 nan 0.000 0.443 422 G N -0.060 108.716 108.800 -0.041 0.000 2.440 422 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.218 422 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.218 422 G C 1.527 176.417 174.900 -0.017 0.000 1.154 422 G CA 1.183 46.262 45.100 -0.036 0.000 0.767 422 G HN 0.488 nan 8.290 nan 0.000 0.552 423 I N 0.223 120.781 120.570 -0.019 0.000 2.179 423 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 423 I C 2.706 178.828 176.117 0.008 0.000 1.088 423 I CA 0.773 62.070 61.300 -0.004 0.000 1.357 423 I CB -0.245 37.752 38.000 -0.005 0.000 1.051 423 I HN 0.124 nan 8.210 nan 0.000 0.409 424 L N -0.118 121.108 121.223 0.004 0.000 2.191 424 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 424 L C 2.737 179.627 176.870 0.033 0.000 1.103 424 L CA 1.149 55.997 54.840 0.013 0.000 0.769 424 L CB -0.417 41.644 42.059 0.003 0.000 0.908 424 L HN 0.271 nan 8.230 nan 0.000 0.438 425 S N 0.019 115.734 115.700 0.025 0.000 2.368 425 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 425 S C 1.822 176.513 174.600 0.152 0.000 1.029 425 S CA 1.506 59.734 58.200 0.045 0.000 0.988 425 S CB -0.083 63.114 63.200 -0.004 0.000 0.838 425 S HN 0.424 nan 8.310 nan 0.000 0.462 426 N N 1.261 120.015 118.700 0.090 0.000 2.171 426 N HA 0.140 4.880 4.740 -0.000 0.000 0.184 426 N C 1.593 177.133 175.510 0.051 0.000 1.021 426 N CA 0.919 54.016 53.050 0.078 0.000 0.854 426 N CB -0.517 37.993 38.487 0.039 0.000 0.994 426 N HN 0.390 nan 8.380 nan 0.000 0.426 427 L N 0.203 121.449 121.223 0.037 0.000 2.549 427 L HA -0.014 4.326 4.340 -0.000 0.000 0.229 427 L C 1.137 178.017 176.870 0.016 0.000 1.158 427 L CA 0.731 55.579 54.840 0.014 0.000 0.842 427 L CB -0.263 41.799 42.059 0.005 0.000 0.952 427 L HN 0.081 nan 8.230 nan 0.000 0.452 428 T N -1.425 113.168 114.554 0.065 0.000 3.129 428 T HA 0.046 4.396 4.350 -0.000 0.000 0.251 428 T C 0.771 175.478 174.700 0.012 0.000 1.117 428 T CA -0.045 62.106 62.100 0.085 0.000 1.034 428 T CB -0.281 68.702 68.868 0.191 0.000 0.968 428 T HN 0.230 nan 8.240 nan 0.000 0.526 429 C N 3.559 122.814 119.300 -0.075 0.000 2.566 429 C HA 0.174 4.634 4.460 -0.000 0.000 0.393 429 C C 1.152 176.073 174.990 -0.115 0.000 1.309 429 C CA -1.084 57.803 59.018 -0.217 0.000 1.801 429 C CB -0.944 26.681 27.740 -0.192 0.000 2.493 429 C HN 0.608 nan 8.230 nan 0.000 0.575 430 N N 2.167 120.803 118.700 -0.106 0.000 2.666 430 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 430 N C -0.418 175.089 175.510 -0.005 0.000 1.118 430 N CA 0.904 53.934 53.050 -0.033 0.000 0.722 430 N CB -0.979 37.490 38.487 -0.031 0.000 1.050 430 N HN 0.801 nan 8.380 nan 0.000 0.550 431 N N 0.378 119.065 118.700 -0.022 0.000 2.569 431 N HA 0.082 4.821 4.740 -0.000 0.000 0.254 431 N C 0.983 176.456 175.510 -0.063 0.000 1.004 431 N CA -0.476 52.536 53.050 -0.062 0.000 0.904 431 N CB 0.518 38.948 38.487 -0.096 0.000 1.165 431 N HN 0.200 nan 8.380 nan 0.000 0.513 432 Y N 3.275 123.545 120.300 -0.049 0.000 2.333 432 Y HA 0.046 4.596 4.550 -0.000 0.000 0.290 432 Y C 1.465 177.297 175.900 -0.114 0.000 1.144 432 Y CA 1.223 59.272 58.100 -0.085 0.000 1.228 432 Y CB -0.001 38.453 38.460 -0.011 0.000 0.985 432 Y HN 0.290 nan 8.280 nan 0.000 0.542 433 K N 0.239 120.318 120.400 -0.534 0.000 2.155 433 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 433 K C 1.537 178.029 176.600 -0.181 0.000 1.052 433 K CA 1.067 57.130 56.287 -0.372 0.000 0.948 433 K CB -0.091 32.127 32.500 -0.470 0.000 0.728 433 K HN 0.372 nan 8.250 nan 0.000 0.448 434 N N 0.949 119.551 118.700 -0.164 0.000 2.290 434 N HA -0.062 4.678 4.740 -0.000 0.000 0.179 434 N C 1.396 176.850 175.510 -0.093 0.000 1.016 434 N CA 0.886 53.875 53.050 -0.102 0.000 0.871 434 N CB 0.124 38.565 38.487 -0.078 0.000 0.987 434 N HN 0.149 nan 8.380 nan 0.000 0.431 435 K N 0.693 121.014 120.400 -0.133 0.000 2.026 435 K HA 0.004 4.324 4.320 -0.000 0.000 0.208 435 K C 2.113 178.586 176.600 -0.212 0.000 1.048 435 K CA 1.087 57.260 56.287 -0.189 0.000 0.929 435 K CB -0.072 32.210 32.500 -0.364 0.000 0.713 435 K HN 0.146 nan 8.250 nan 0.000 0.439 436 M N -0.055 119.413 119.600 -0.220 0.000 2.077 436 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 436 M C 2.447 178.727 176.300 -0.033 0.000 1.070 436 M CA 1.366 56.606 55.300 -0.099 0.000 1.125 436 M CB -0.329 32.258 32.600 -0.021 0.000 1.339 436 M HN 0.140 nan 8.290 nan 0.000 0.409 437 M N 0.700 120.278 119.600 -0.038 0.000 2.108 437 M HA -0.160 4.320 4.480 -0.000 0.000 0.257 437 M C 1.851 178.144 176.300 -0.012 0.000 1.071 437 M CA 1.778 57.065 55.300 -0.021 0.000 1.093 437 M CB -0.575 32.006 32.600 -0.031 0.000 1.345 437 M HN 0.039 nan 8.290 nan 0.000 0.403 438 V N -1.040 118.864 119.914 -0.017 0.000 2.490 438 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 438 V C 2.476 178.577 176.094 0.011 0.000 1.061 438 V CA 1.827 64.125 62.300 -0.003 0.000 1.064 438 V CB -0.959 30.863 31.823 -0.001 0.000 0.670 438 V HN 0.673 nan 8.190 nan 0.000 0.461 439 C N -0.631 118.680 119.300 0.018 0.000 2.446 439 C HA -0.172 4.287 4.460 -0.000 0.000 0.277 439 C C 2.826 177.839 174.990 0.039 0.000 1.275 439 C CA 0.965 60.009 59.018 0.043 0.000 1.727 439 C CB -0.960 26.822 27.740 0.070 0.000 2.010 439 C HN 0.591 nan 8.230 nan 0.000 0.486 440 Q N 0.235 120.052 119.800 0.028 0.000 2.167 440 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 440 Q C 1.809 177.822 176.000 0.021 0.000 0.970 440 Q CA 1.615 57.434 55.803 0.026 0.000 0.855 440 Q CB -0.129 28.621 28.738 0.020 0.000 0.911 440 Q HN 0.753 nan 8.270 nan 0.000 0.438 441 V N -3.133 116.790 119.914 0.014 0.000 3.415 441 V HA 0.432 4.551 4.120 -0.000 0.000 0.325 441 V C 0.728 176.826 176.094 0.006 0.000 1.313 441 V CA 0.357 62.662 62.300 0.009 0.000 1.228 441 V CB -0.493 31.332 31.823 0.003 0.000 1.131 441 V HN 0.334 nan 8.190 nan 0.000 0.433 442 G N 0.081 108.890 108.800 0.014 0.000 2.272 442 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.280 442 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.280 442 G C 0.837 175.730 174.900 -0.010 0.000 1.067 442 G CA 0.344 45.446 45.100 0.004 0.000 0.902 442 G HN 1.156 nan 8.290 nan 0.000 0.500 443 G N -0.108 108.695 108.800 0.005 0.000 2.403 443 G HA2 0.037 3.997 3.960 -0.000 0.000 0.216 443 G HA3 0.037 3.997 3.960 -0.000 0.000 0.216 443 G C 1.768 176.667 174.900 -0.001 0.000 1.154 443 G CA 1.266 46.367 45.100 0.001 0.000 0.784 443 G HN 0.486 nan 8.290 nan 0.000 0.538 444 I N 1.268 121.849 120.570 0.019 0.000 2.099 444 I HA -0.172 3.998 4.170 -0.000 0.000 0.239 444 I C 2.495 178.601 176.117 -0.018 0.000 1.066 444 I CA 1.564 62.884 61.300 0.033 0.000 1.324 444 I CB -1.315 36.742 38.000 0.094 0.000 1.037 444 I HN 0.359 nan 8.210 nan 0.000 0.401 445 E N 1.017 121.146 120.200 -0.120 0.000 2.085 445 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 445 E C 2.264 178.766 176.600 -0.164 0.000 0.994 445 E CA 1.616 57.815 56.400 -0.335 0.000 0.801 445 E CB 0.069 29.395 29.700 -0.622 0.000 0.743 445 E HN 0.455 nan 8.360 nan 0.000 0.453 446 A N 0.997 123.757 122.820 -0.099 0.000 1.877 446 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 446 A C 2.226 179.787 177.584 -0.037 0.000 1.186 446 A CA 1.230 53.233 52.037 -0.058 0.000 0.620 446 A CB -0.683 18.293 19.000 -0.039 0.000 0.822 446 A HN 0.303 nan 8.150 nan 0.000 0.443 447 L N -0.520 120.687 121.223 -0.027 0.000 2.046 447 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 447 L C 2.530 179.395 176.870 -0.009 0.000 1.077 447 L CA 1.038 55.869 54.840 -0.015 0.000 0.747 447 L CB -0.612 41.441 42.059 -0.010 0.000 0.896 447 L HN 0.240 nan 8.230 nan 0.000 0.432 448 V N 0.103 120.015 119.914 -0.004 0.000 2.332 448 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 448 V C 2.686 178.787 176.094 0.012 0.000 1.055 448 V CA 2.201 64.510 62.300 0.015 0.000 1.038 448 V CB -0.689 31.158 31.823 0.040 0.000 0.651 448 V HN 0.488 nan 8.190 nan 0.000 0.450 449 R N -0.228 120.271 120.500 -0.002 0.000 2.120 449 R HA -0.159 4.180 4.340 -0.000 0.000 0.234 449 R C 2.217 178.515 176.300 -0.004 0.000 1.123 449 R CA 1.978 58.076 56.100 -0.003 0.000 0.975 449 R CB -0.447 29.843 30.300 -0.016 0.000 0.866 449 R HN 0.543 nan 8.270 nan 0.000 0.446 450 T N 0.119 114.669 114.554 -0.008 0.000 2.746 450 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 450 T C 1.760 176.457 174.700 -0.005 0.000 1.039 450 T CA 1.473 63.568 62.100 -0.008 0.000 1.142 450 T CB -0.091 68.771 68.868 -0.011 0.000 0.866 450 T HN 0.053 nan 8.240 nan 0.000 0.444 451 V N 1.531 121.444 119.914 -0.002 0.000 2.427 451 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 451 V C 2.457 178.553 176.094 0.003 0.000 1.051 451 V CA 1.244 63.544 62.300 0.000 0.000 1.048 451 V CB -0.723 31.102 31.823 0.003 0.000 0.666 451 V HN 0.437 nan 8.190 nan 0.000 0.456 452 L N 0.468 121.695 121.223 0.007 0.000 2.046 452 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 452 L C 2.765 179.636 176.870 0.002 0.000 1.077 452 L CA 2.280 57.125 54.840 0.008 0.000 0.747 452 L CB -0.552 41.514 42.059 0.011 0.000 0.896 452 L HN 0.444 nan 8.230 nan 0.000 0.432 453 R N 0.173 120.673 120.500 -0.001 0.000 2.200 453 R HA 0.087 4.427 4.340 -0.000 0.000 0.208 453 R C 2.120 178.418 176.300 -0.003 0.000 1.033 453 R CA 0.916 57.014 56.100 -0.003 0.000 1.000 453 R CB -0.482 29.816 30.300 -0.004 0.000 0.906 453 R HN 0.137 nan 8.270 nan 0.000 0.462 454 A N 1.190 124.008 122.820 -0.003 0.000 1.972 454 A HA 0.180 4.499 4.320 -0.000 0.000 0.219 454 A C 1.707 179.288 177.584 -0.004 0.000 1.169 454 A CA 1.370 53.405 52.037 -0.004 0.000 0.635 454 A CB -1.047 17.950 19.000 -0.005 0.000 0.810 454 A HN 0.727 nan 8.150 nan 0.000 0.446 455 G N 0.168 108.965 108.800 -0.004 0.000 2.536 455 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.280 455 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.280 455 G C 0.349 175.243 174.900 -0.009 0.000 1.152 455 G CA 1.178 46.274 45.100 -0.006 0.000 0.970 455 G HN 1.127 nan 8.290 nan 0.000 0.549 456 D N 0.590 120.983 120.400 -0.012 0.000 2.340 456 D HA 0.236 4.876 4.640 -0.000 0.000 0.217 456 D C 1.083 177.375 176.300 -0.012 0.000 1.081 456 D CA -0.038 53.951 54.000 -0.019 0.000 0.842 456 D CB -0.074 40.710 40.800 -0.026 0.000 0.934 456 D HN 0.605 nan 8.370 nan 0.000 0.511 457 R N 1.184 121.680 120.500 -0.005 0.000 2.351 457 R HA 0.152 4.492 4.340 -0.000 0.000 0.321 457 R C 0.246 176.548 176.300 0.003 0.000 1.182 457 R CA 0.010 56.111 56.100 0.001 0.000 1.011 457 R CB 0.257 30.558 30.300 0.001 0.000 1.048 457 R HN 0.312 nan 8.270 nan 0.000 0.490 458 E N 1.567 121.774 120.200 0.011 0.000 2.516 458 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 458 E C 0.446 177.055 176.600 0.016 0.000 1.069 458 E CA 0.611 57.023 56.400 0.019 0.000 0.876 458 E CB 0.209 29.936 29.700 0.045 0.000 0.843 458 E HN 0.613 nan 8.360 nan 0.000 0.530 459 D N -0.249 120.155 120.400 0.006 0.000 2.349 459 D HA -0.004 4.636 4.640 -0.000 0.000 0.214 459 D C 1.497 177.785 176.300 -0.019 0.000 1.063 459 D CA 0.206 54.201 54.000 -0.007 0.000 0.847 459 D CB 0.301 41.094 40.800 -0.012 0.000 0.933 459 D HN 0.279 nan 8.370 nan 0.000 0.513 460 I N 0.860 121.422 120.570 -0.013 0.000 3.673 460 I HA -0.108 4.061 4.170 -0.000 0.000 0.281 460 I C 2.530 178.637 176.117 -0.016 0.000 1.182 460 I CA 0.829 62.118 61.300 -0.018 0.000 1.391 460 I CB -0.052 37.940 38.000 -0.013 0.000 1.383 460 I HN -0.056 nan 8.210 nan 0.000 0.456 461 T N -0.923 113.625 114.554 -0.010 0.000 2.746 461 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 461 T C 1.653 176.347 174.700 -0.010 0.000 1.039 461 T CA 1.726 63.821 62.100 -0.009 0.000 1.142 461 T CB -0.427 68.439 68.868 -0.004 0.000 0.866 461 T HN 0.364 nan 8.240 nan 0.000 0.444 462 E N 2.042 122.238 120.200 -0.005 0.000 2.023 462 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 462 E C -0.473 176.115 176.600 -0.020 0.000 1.003 462 E CA 1.423 57.821 56.400 -0.003 0.000 0.809 462 E CB -0.776 28.930 29.700 0.009 0.000 0.755 462 E HN 0.425 nan 8.360 nan 0.000 0.449 463 P HA -0.139 nan 4.420 nan 0.000 0.216 463 P C 0.930 178.196 177.300 -0.056 0.000 1.150 463 P CA 2.060 65.137 63.100 -0.039 0.000 0.837 463 P CB -0.083 31.596 31.700 -0.037 0.000 0.786 464 A N -0.323 122.471 122.820 -0.044 0.000 1.877 464 A HA -0.175 4.144 4.320 -0.000 0.000 0.216 464 A C 2.134 179.683 177.584 -0.058 0.000 1.186 464 A CA 1.445 53.455 52.037 -0.045 0.000 0.620 464 A CB -1.545 17.439 19.000 -0.028 0.000 0.822 464 A HN 0.031 nan 8.150 nan 0.000 0.443 465 I N 0.061 120.601 120.570 -0.049 0.000 2.286 465 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 465 I C 2.461 178.521 176.117 -0.096 0.000 1.115 465 I CA 1.124 62.395 61.300 -0.049 0.000 1.392 465 I CB -1.613 36.372 38.000 -0.024 0.000 1.065 465 I HN 0.371 nan 8.210 nan 0.000 0.418 466 C N 0.789 120.007 119.300 -0.137 0.000 2.432 466 C HA -0.001 4.459 4.460 -0.000 0.000 0.280 466 C C 3.022 177.680 174.990 -0.554 0.000 1.353 466 C CA 0.706 59.557 59.018 -0.277 0.000 1.766 466 C CB -1.218 26.395 27.740 -0.212 0.000 1.924 466 C HN 0.573 nan 8.230 nan 0.000 0.509 467 A N 0.026 122.655 122.820 -0.317 0.000 2.067 467 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 467 A C 2.020 179.531 177.584 -0.122 0.000 1.156 467 A CA 1.019 52.914 52.037 -0.236 0.000 0.683 467 A CB -0.342 18.600 19.000 -0.097 0.000 0.808 467 A HN 0.616 nan 8.150 nan 0.000 0.455 468 L N -1.516 119.651 121.223 -0.093 0.000 2.307 468 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 468 L C 2.613 179.480 176.870 -0.005 0.000 1.099 468 L CA 0.773 55.599 54.840 -0.023 0.000 0.816 468 L CB -0.342 41.710 42.059 -0.012 0.000 0.952 468 L HN 0.417 nan 8.230 nan 0.000 0.455 469 R N -0.081 120.388 120.500 -0.051 0.000 2.075 469 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 469 R C 2.202 178.575 176.300 0.121 0.000 1.126 469 R CA 1.577 57.684 56.100 0.012 0.000 0.963 469 R CB -0.213 30.081 30.300 -0.010 0.000 0.858 469 R HN 0.472 nan 8.270 nan 0.000 0.435 470 H N -0.126 118.972 119.070 0.047 0.000 2.357 470 H HA -0.093 4.463 4.556 -0.000 0.000 0.301 470 H C 2.215 177.599 175.328 0.093 0.000 1.082 470 H CA 1.327 57.411 56.048 0.059 0.000 1.342 470 H CB 0.025 29.814 29.762 0.046 0.000 1.389 470 H HN 0.170 nan 8.280 nan 0.000 0.511 471 L N 0.686 122.041 121.223 0.219 0.000 2.131 471 L HA -0.101 4.238 4.340 -0.000 0.000 0.210 471 L C 1.540 178.543 176.870 0.222 0.000 1.092 471 L CA 1.193 56.164 54.840 0.219 0.000 0.759 471 L CB -0.264 41.882 42.059 0.145 0.000 0.903 471 L HN 0.364 nan 8.230 nan 0.000 0.435 472 T N -3.454 111.173 114.554 0.122 0.000 3.341 472 T HA 0.268 4.617 4.350 -0.000 0.000 0.234 472 T C 0.185 174.898 174.700 0.022 0.000 0.890 472 T CA -0.199 61.931 62.100 0.049 0.000 0.952 472 T CB -0.018 68.866 68.868 0.027 0.000 1.146 472 T HN 0.138 nan 8.240 nan 0.000 0.591 473 S N 1.176 116.900 115.700 0.039 0.000 2.579 473 S HA 0.410 4.880 4.470 -0.000 0.000 0.290 473 S C -0.818 173.822 174.600 0.067 0.000 1.123 473 S CA -0.894 57.320 58.200 0.023 0.000 0.894 473 S CB 0.796 64.033 63.200 0.062 0.000 1.095 473 S HN 0.556 nan 8.310 nan 0.000 0.450 474 R N 2.251 122.751 120.500 -0.001 0.000 3.084 474 R HA -0.183 4.156 4.340 -0.000 0.000 0.258 474 R C -0.817 175.569 176.300 0.144 0.000 0.914 474 R CA 1.631 57.756 56.100 0.043 0.000 0.646 474 R CB -2.607 27.738 30.300 0.073 0.000 1.330 474 R HN 1.158 nan 8.270 nan 0.000 0.465 475 H N -4.399 114.675 119.070 0.006 0.000 2.905 475 H HA 0.058 4.613 4.556 -0.000 0.000 0.260 475 H C 0.230 175.552 175.328 -0.010 0.000 1.403 475 H CA -0.470 55.576 56.048 -0.002 0.000 1.290 475 H CB 0.148 29.946 29.762 0.060 0.000 1.840 475 H HN -0.009 nan 8.280 nan 0.000 0.466 476 Q N -0.256 119.629 119.800 0.142 0.000 2.248 476 Q HA -0.131 4.208 4.340 -0.000 0.000 0.208 476 Q C 0.369 176.408 176.000 0.063 0.000 0.984 476 Q CA 1.894 57.739 55.803 0.070 0.000 0.875 476 Q CB 0.080 28.861 28.738 0.072 0.000 0.910 476 Q HN 0.591 nan 8.270 nan 0.000 0.433 477 E N -0.884 119.439 120.200 0.204 0.000 2.501 477 E HA 0.153 4.503 4.350 -0.000 0.000 0.200 477 E C 1.218 177.761 176.600 -0.095 0.000 1.016 477 E CA 0.200 56.678 56.400 0.130 0.000 0.921 477 E CB 0.589 30.471 29.700 0.303 0.000 1.034 477 E HN 0.259 nan 8.360 nan 0.000 0.468 478 A N 1.572 124.037 122.820 -0.591 0.000 2.024 478 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 478 A C 2.125 179.597 177.584 -0.186 0.000 1.164 478 A CA 1.708 53.441 52.037 -0.508 0.000 0.643 478 A CB -0.281 18.400 19.000 -0.532 0.000 0.806 478 A HN 0.301 nan 8.150 nan 0.000 0.451 479 E N -0.670 119.449 120.200 -0.135 0.000 2.033 479 E HA -0.170 4.180 4.350 -0.000 0.000 0.189 479 E C 2.046 178.615 176.600 -0.051 0.000 0.979 479 E CA 1.068 57.420 56.400 -0.080 0.000 0.802 479 E CB -0.318 29.343 29.700 -0.065 0.000 0.763 479 E HN 0.569 nan 8.360 nan 0.000 0.449 480 M N 0.868 120.450 119.600 -0.029 0.000 2.106 480 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 480 M C 2.230 178.532 176.300 0.002 0.000 1.068 480 M CA 1.978 57.274 55.300 -0.007 0.000 1.100 480 M CB -0.348 32.266 32.600 0.024 0.000 1.351 480 M HN 0.259 nan 8.290 nan 0.000 0.404 481 A N 0.422 123.253 122.820 0.018 0.000 1.865 481 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 481 A C 1.871 179.460 177.584 0.008 0.000 1.191 481 A CA 2.170 54.230 52.037 0.038 0.000 0.623 481 A CB -0.995 18.043 19.000 0.064 0.000 0.826 481 A HN 0.752 nan 8.150 nan 0.000 0.444 482 Q N -0.583 119.205 119.800 -0.021 0.000 2.135 482 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 482 Q C 1.965 177.935 176.000 -0.050 0.000 0.981 482 Q CA 1.450 57.232 55.803 -0.036 0.000 0.856 482 Q CB -0.228 28.478 28.738 -0.054 0.000 0.902 482 Q HN 0.621 nan 8.270 nan 0.000 0.425 483 N N 0.218 118.884 118.700 -0.058 0.000 2.171 483 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 483 N C 1.661 177.110 175.510 -0.102 0.000 1.021 483 N CA 1.226 54.227 53.050 -0.081 0.000 0.854 483 N CB -0.180 38.260 38.487 -0.078 0.000 0.994 483 N HN 0.234 nan 8.380 nan 0.000 0.426 484 A N 0.905 123.681 122.820 -0.073 0.000 1.902 484 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 484 A C 2.443 180.002 177.584 -0.042 0.000 1.181 484 A CA 1.317 53.300 52.037 -0.090 0.000 0.623 484 A CB -0.832 18.193 19.000 0.042 0.000 0.818 484 A HN 0.102 nan 8.150 nan 0.000 0.443 485 V N 0.071 119.993 119.914 0.013 0.000 2.453 485 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 485 V C 2.604 178.688 176.094 -0.018 0.000 1.068 485 V CA 2.446 64.766 62.300 0.033 0.000 1.070 485 V CB -0.916 30.918 31.823 0.018 0.000 0.664 485 V HN 0.662 nan 8.190 nan 0.000 0.461 486 R N -0.091 120.359 120.500 -0.084 0.000 2.057 486 R HA 0.034 4.374 4.340 -0.000 0.000 0.224 486 R C 2.172 178.319 176.300 -0.256 0.000 1.136 486 R CA 1.000 57.022 56.100 -0.131 0.000 0.968 486 R CB -0.225 30.001 30.300 -0.123 0.000 0.863 486 R HN 0.431 nan 8.270 nan 0.000 0.433 487 L N 0.341 121.377 121.223 -0.313 0.000 2.651 487 L HA -0.134 4.205 4.340 -0.000 0.000 0.236 487 L C 0.611 177.095 176.870 -0.644 0.000 1.173 487 L CA 1.088 55.641 54.840 -0.478 0.000 0.843 487 L CB -0.263 41.522 42.059 -0.457 0.000 0.964 487 L HN 0.371 nan 8.230 nan 0.000 0.454 488 H N -2.719 116.184 119.070 -0.278 0.000 2.510 488 H HA 0.142 4.698 4.556 -0.000 0.000 0.266 488 H C -0.626 174.715 175.328 0.020 0.000 1.146 488 H CA -0.552 55.422 56.048 -0.125 0.000 0.993 488 H CB 0.377 30.140 29.762 0.002 0.000 1.727 488 H HN 0.075 nan 8.280 nan 0.000 0.590 489 Y N -0.801 119.549 120.300 0.083 0.000 3.389 489 Y HA -0.260 4.290 4.550 -0.000 0.000 0.213 489 Y C 1.577 177.506 175.900 0.047 0.000 1.272 489 Y CA 0.523 58.654 58.100 0.051 0.000 1.444 489 Y CB -1.755 36.733 38.460 0.047 0.000 1.445 489 Y HN 0.523 nan 8.280 nan 0.000 0.583 490 G N -0.875 107.991 108.800 0.111 0.000 2.833 490 G HA2 0.122 4.082 3.960 -0.000 0.000 0.210 490 G HA3 0.122 4.082 3.960 -0.000 0.000 0.210 490 G C 1.336 176.270 174.900 0.056 0.000 1.139 490 G CA 0.345 45.497 45.100 0.086 0.000 0.771 490 G HN 0.424 nan 8.290 nan 0.000 0.535 491 L N 0.764 122.010 121.223 0.040 0.000 2.043 491 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 491 L C 0.037 176.931 176.870 0.040 0.000 1.075 491 L CA 1.312 56.169 54.840 0.029 0.000 0.752 491 L CB -1.372 40.696 42.059 0.014 0.000 0.891 491 L HN 0.150 nan 8.230 nan 0.000 0.432 492 P HA -0.197 nan 4.420 nan 0.000 0.213 492 P C 1.993 179.322 177.300 0.049 0.000 1.170 492 P CA 1.251 64.384 63.100 0.054 0.000 0.902 492 P CB -0.007 31.731 31.700 0.063 0.000 0.789 493 V N -0.317 119.625 119.914 0.047 0.000 2.490 493 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 493 V C 2.133 178.246 176.094 0.033 0.000 1.061 493 V CA 1.736 64.059 62.300 0.039 0.000 1.064 493 V CB -0.911 30.933 31.823 0.035 0.000 0.670 493 V HN -0.116 nan 8.190 nan 0.000 0.461 494 V N -0.324 119.609 119.914 0.031 0.000 2.343 494 V HA -0.185 3.934 4.120 -0.000 0.000 0.247 494 V C 2.369 178.474 176.094 0.018 0.000 1.051 494 V CA 2.102 64.415 62.300 0.021 0.000 1.036 494 V CB -0.389 31.445 31.823 0.019 0.000 0.654 494 V HN 0.469 nan 8.190 nan 0.000 0.451 495 V N -0.213 119.717 119.914 0.026 0.000 3.041 495 V HA -0.105 4.015 4.120 -0.000 0.000 0.260 495 V C 2.279 178.397 176.094 0.040 0.000 1.105 495 V CA 1.411 63.722 62.300 0.019 0.000 1.125 495 V CB -0.548 31.296 31.823 0.035 0.000 0.730 495 V HN 0.534 nan 8.190 nan 0.000 0.479 496 K N 0.379 120.822 120.400 0.071 0.000 2.217 496 K HA -0.011 4.309 4.320 -0.000 0.000 0.202 496 K C 1.880 178.531 176.600 0.085 0.000 1.051 496 K CA 0.973 57.334 56.287 0.124 0.000 0.952 496 K CB -0.024 32.522 32.500 0.077 0.000 0.736 496 K HN 0.410 nan 8.250 nan 0.000 0.453 497 L N 1.228 122.467 121.223 0.026 0.000 2.551 497 L HA -0.062 4.278 4.340 -0.000 0.000 0.228 497 L C 1.925 178.774 176.870 -0.035 0.000 1.153 497 L CA 0.215 55.054 54.840 -0.001 0.000 0.851 497 L CB -0.072 41.985 42.059 -0.003 0.000 0.959 497 L HN 0.192 nan 8.230 nan 0.000 0.451 498 L N -1.538 119.638 121.223 -0.079 0.000 2.179 498 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 498 L C 1.153 177.897 176.870 -0.210 0.000 1.096 498 L CA 0.276 55.022 54.840 -0.157 0.000 0.779 498 L CB -0.365 41.555 42.059 -0.233 0.000 0.922 498 L HN 0.300 nan 8.230 nan 0.000 0.443 499 H N -0.180 118.864 119.070 -0.045 0.000 2.607 499 H HA 0.208 4.764 4.556 -0.000 0.000 0.367 499 H C -1.901 173.368 175.328 -0.098 0.000 1.181 499 H CA -1.872 54.139 56.048 -0.062 0.000 1.402 499 H CB 0.238 29.973 29.762 -0.045 0.000 1.474 499 H HN -0.130 nan 8.280 nan 0.000 0.596 500 P HA -0.035 nan 4.420 nan 0.000 0.271 500 P C -1.575 175.690 177.300 -0.059 0.000 1.238 500 P CA -0.731 62.318 63.100 -0.084 0.000 0.794 500 P CB -0.014 31.641 31.700 -0.075 0.000 0.959 501 P HA -0.105 nan 4.420 nan 0.000 0.218 501 P C -0.092 177.022 177.300 -0.310 0.000 1.148 501 P CA 1.042 64.036 63.100 -0.176 0.000 0.822 501 P CB -0.311 31.304 31.700 -0.141 0.000 0.784 502 S N 0.031 115.576 115.700 -0.258 0.000 2.572 502 S HA -0.131 4.339 4.470 -0.000 0.000 0.305 502 S C 0.514 174.851 174.600 -0.438 0.000 1.264 502 S CA 0.500 58.522 58.200 -0.297 0.000 1.029 502 S CB -0.368 62.733 63.200 -0.165 0.000 0.734 502 S HN 0.252 nan 8.310 nan 0.000 0.478 503 H N -0.728 118.254 119.070 -0.147 0.000 2.630 503 H HA 0.238 4.794 4.556 -0.000 0.000 0.343 503 H C 0.766 176.009 175.328 -0.143 0.000 1.232 503 H CA -1.070 54.863 56.048 -0.192 0.000 1.294 503 H CB 0.356 30.078 29.762 -0.067 0.000 1.746 503 H HN 0.804 nan 8.280 nan 0.000 0.593 504 W N 0.554 121.954 121.300 0.167 0.000 2.335 504 W HA -0.093 4.567 4.660 -0.000 0.000 0.311 504 W C -0.635 175.920 176.519 0.060 0.000 1.213 504 W CA 0.658 58.052 57.345 0.081 0.000 1.274 504 W CB -1.415 28.077 29.460 0.055 0.000 1.148 504 W HN 0.580 nan 8.180 nan 0.000 0.498 505 P HA -0.231 nan 4.420 nan 0.000 0.216 505 P C 1.670 179.055 177.300 0.141 0.000 1.153 505 P CA 1.450 64.657 63.100 0.179 0.000 0.858 505 P CB -0.257 31.519 31.700 0.126 0.000 0.789 506 L N -0.866 120.434 121.223 0.129 0.000 2.072 506 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 506 L C 2.138 179.055 176.870 0.079 0.000 1.079 506 L CA 1.644 56.532 54.840 0.080 0.000 0.752 506 L CB -1.122 40.969 42.059 0.053 0.000 0.906 506 L HN -0.134 nan 8.230 nan 0.000 0.436 507 I N -0.539 120.092 120.570 0.102 0.000 2.361 507 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 507 I C 2.517 178.719 176.117 0.143 0.000 1.133 507 I CA 1.165 62.528 61.300 0.105 0.000 1.413 507 I CB -0.456 37.619 38.000 0.125 0.000 1.073 507 I HN 0.328 nan 8.210 nan 0.000 0.424 508 K N 1.254 121.759 120.400 0.175 0.000 2.025 508 K HA -0.156 4.163 4.320 -0.000 0.000 0.207 508 K C 2.211 178.863 176.600 0.088 0.000 1.049 508 K CA 1.515 57.884 56.287 0.136 0.000 0.933 508 K CB -0.069 32.507 32.500 0.126 0.000 0.714 508 K HN 0.300 nan 8.250 nan 0.000 0.438 509 A N 0.270 123.134 122.820 0.074 0.000 2.014 509 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 509 A C 1.986 179.592 177.584 0.036 0.000 1.163 509 A CA 1.744 53.810 52.037 0.048 0.000 0.652 509 A CB -0.506 18.513 19.000 0.032 0.000 0.808 509 A HN 0.352 nan 8.150 nan 0.000 0.449 510 T N -0.687 113.890 114.554 0.038 0.000 2.942 510 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 510 T C 1.769 176.488 174.700 0.031 0.000 1.062 510 T CA 1.268 63.384 62.100 0.026 0.000 1.139 510 T CB -0.176 68.702 68.868 0.017 0.000 0.883 510 T HN 0.141 nan 8.240 nan 0.000 0.468 511 V N 1.532 121.473 119.914 0.045 0.000 2.515 511 V HA -0.035 4.085 4.120 -0.000 0.000 0.250 511 V C 2.774 178.895 176.094 0.046 0.000 1.058 511 V CA 1.845 64.173 62.300 0.048 0.000 1.064 511 V CB -1.090 30.771 31.823 0.064 0.000 0.675 511 V HN 0.589 nan 8.190 nan 0.000 0.461 512 G N -0.307 108.522 108.800 0.047 0.000 2.421 512 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 512 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 512 G C 1.525 176.448 174.900 0.039 0.000 1.143 512 G CA 0.846 45.974 45.100 0.047 0.000 0.784 512 G HN 0.442 nan 8.290 nan 0.000 0.541 513 L N 0.922 122.163 121.223 0.030 0.000 2.056 513 L HA 0.174 4.514 4.340 -0.000 0.000 0.207 513 L C 2.550 179.432 176.870 0.020 0.000 1.078 513 L CA 1.236 56.089 54.840 0.021 0.000 0.749 513 L CB -0.513 41.553 42.059 0.011 0.000 0.901 513 L HN 0.235 nan 8.230 nan 0.000 0.433 514 I N -0.540 120.043 120.570 0.022 0.000 2.361 514 I HA -0.279 3.891 4.170 -0.000 0.000 0.251 514 I C 2.715 178.845 176.117 0.022 0.000 1.133 514 I CA 1.196 62.509 61.300 0.021 0.000 1.413 514 I CB -0.425 37.590 38.000 0.025 0.000 1.073 514 I HN 0.360 nan 8.210 nan 0.000 0.424 515 R N 1.290 121.806 120.500 0.027 0.000 2.073 515 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 515 R C 2.081 178.388 176.300 0.011 0.000 1.134 515 R CA 1.760 57.874 56.100 0.024 0.000 0.952 515 R CB -0.153 30.164 30.300 0.030 0.000 0.850 515 R HN 0.393 nan 8.270 nan 0.000 0.433 516 N N 0.946 119.653 118.700 0.012 0.000 2.084 516 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 516 N C 1.971 177.473 175.510 -0.013 0.000 1.030 516 N CA 1.210 54.261 53.050 0.002 0.000 0.849 516 N CB -0.334 38.161 38.487 0.013 0.000 1.012 516 N HN 0.262 nan 8.380 nan 0.000 0.423 517 L N 0.872 122.089 121.223 -0.011 0.000 2.187 517 L HA -0.109 4.231 4.340 -0.000 0.000 0.213 517 L C 2.112 178.951 176.870 -0.051 0.000 1.100 517 L CA 0.895 55.718 54.840 -0.028 0.000 0.765 517 L CB -0.416 41.633 42.059 -0.017 0.000 0.904 517 L HN 0.126 nan 8.230 nan 0.000 0.437 518 A N -0.650 122.155 122.820 -0.026 0.000 2.235 518 A HA 0.031 4.351 4.320 -0.000 0.000 0.208 518 A C 2.061 179.625 177.584 -0.032 0.000 1.172 518 A CA 0.491 52.518 52.037 -0.017 0.000 0.786 518 A CB -0.394 18.641 19.000 0.058 0.000 0.804 518 A HN 0.388 nan 8.150 nan 0.000 0.479 519 L N -0.945 120.250 121.223 -0.046 0.000 2.552 519 L HA 0.001 4.341 4.340 -0.000 0.000 0.227 519 L C 0.877 177.698 176.870 -0.081 0.000 1.146 519 L CA -0.092 54.725 54.840 -0.038 0.000 0.858 519 L CB -0.048 41.989 42.059 -0.036 0.000 0.969 519 L HN 0.536 nan 8.230 nan 0.000 0.451 520 C N 0.237 119.442 119.300 -0.158 0.000 2.264 520 C HA 0.346 4.806 4.460 -0.000 0.000 0.324 520 C C -0.839 173.931 174.990 -0.367 0.000 1.267 520 C CA -1.902 57.006 59.018 -0.183 0.000 1.618 520 C CB 0.922 28.577 27.740 -0.141 0.000 2.278 520 C HN 0.092 nan 8.230 nan 0.000 0.499 521 P HA -0.166 nan 4.420 nan 0.000 0.216 521 P C 1.449 178.583 177.300 -0.277 0.000 1.157 521 P CA 2.601 65.525 63.100 -0.293 0.000 0.880 521 P CB 0.060 31.763 31.700 0.006 0.000 0.791 522 A N -1.125 121.599 122.820 -0.160 0.000 2.272 522 A HA -0.175 4.144 4.320 -0.000 0.000 0.213 522 A C 1.723 179.234 177.584 -0.122 0.000 1.183 522 A CA 1.467 53.442 52.037 -0.104 0.000 0.719 522 A CB -1.043 17.906 19.000 -0.085 0.000 0.771 522 A HN 0.209 nan 8.150 nan 0.000 0.484 523 N N -1.414 117.157 118.700 -0.216 0.000 2.220 523 N HA 0.016 4.756 4.740 -0.000 0.000 0.195 523 N C 0.867 176.320 175.510 -0.094 0.000 1.123 523 N CA 0.081 53.039 53.050 -0.153 0.000 0.874 523 N CB -0.137 38.257 38.487 -0.155 0.000 0.995 523 N HN 0.527 nan 8.380 nan 0.000 0.498 524 H N 1.567 120.640 119.070 0.005 0.000 2.293 524 H HA 0.028 4.584 4.556 -0.000 0.000 0.300 524 H C 1.982 177.324 175.328 0.023 0.000 1.082 524 H CA 1.550 57.609 56.048 0.018 0.000 1.308 524 H CB -0.249 29.531 29.762 0.029 0.000 1.375 524 H HN 0.196 nan 8.280 nan 0.000 0.495 525 A N 1.301 124.210 122.820 0.147 0.000 1.877 525 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 525 A C -0.034 177.571 177.584 0.035 0.000 1.186 525 A CA 1.327 53.406 52.037 0.071 0.000 0.620 525 A CB -1.325 17.700 19.000 0.040 0.000 0.822 525 A HN 0.335 nan 8.150 nan 0.000 0.443 526 P HA -0.148 nan 4.420 nan 0.000 0.214 526 P C 1.500 178.813 177.300 0.021 0.000 1.163 526 P CA 0.895 64.001 63.100 0.010 0.000 0.883 526 P CB -0.175 31.520 31.700 -0.008 0.000 0.788 527 L N -1.080 120.160 121.223 0.028 0.000 2.127 527 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 527 L C 2.819 179.714 176.870 0.042 0.000 1.089 527 L CA 1.457 56.318 54.840 0.035 0.000 0.757 527 L CB -0.557 41.527 42.059 0.042 0.000 0.899 527 L HN -0.062 nan 8.230 nan 0.000 0.434 528 R N 0.560 121.089 120.500 0.048 0.000 2.062 528 R HA -0.178 4.162 4.340 -0.000 0.000 0.231 528 R C 2.085 178.404 176.300 0.031 0.000 1.136 528 R CA 1.710 57.836 56.100 0.044 0.000 0.948 528 R CB -0.120 30.208 30.300 0.046 0.000 0.845 528 R HN 0.416 nan 8.270 nan 0.000 0.430 529 E N 0.062 120.275 120.200 0.021 0.000 2.153 529 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 529 E C 2.043 178.658 176.600 0.025 0.000 0.988 529 E CA 0.744 57.153 56.400 0.015 0.000 0.811 529 E CB 0.032 29.736 29.700 0.007 0.000 0.746 529 E HN 0.358 nan 8.360 nan 0.000 0.466 530 Q N -0.316 119.503 119.800 0.032 0.000 2.369 530 Q HA -0.019 4.321 4.340 -0.000 0.000 0.206 530 Q C 0.969 177.000 176.000 0.052 0.000 0.963 530 Q CA 1.027 56.855 55.803 0.041 0.000 0.894 530 Q CB 0.357 29.120 28.738 0.042 0.000 0.965 530 Q HN 0.404 nan 8.270 nan 0.000 0.475 531 G N 0.217 109.046 108.800 0.048 0.000 2.452 531 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.275 531 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.275 531 G C 0.576 175.512 174.900 0.061 0.000 1.131 531 G CA 0.408 45.542 45.100 0.057 0.000 1.031 531 G HN 0.440 nan 8.290 nan 0.000 0.511 532 A N -0.117 122.730 122.820 0.045 0.000 1.924 532 A HA 0.478 4.798 4.320 -0.000 0.000 0.211 532 A C 2.359 179.961 177.584 0.031 0.000 1.198 532 A CA 1.365 53.420 52.037 0.030 0.000 0.657 532 A CB -0.134 18.884 19.000 0.029 0.000 0.852 532 A HN 0.740 nan 8.150 nan 0.000 0.454 533 I N 1.042 121.638 120.570 0.044 0.000 2.118 533 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 533 I C -0.331 175.812 176.117 0.044 0.000 1.070 533 I CA 1.809 63.139 61.300 0.050 0.000 1.327 533 I CB -1.298 36.736 38.000 0.057 0.000 1.034 533 I HN 0.263 nan 8.210 nan 0.000 0.405 534 P HA -0.188 nan 4.420 nan 0.000 0.218 534 P C 1.430 178.752 177.300 0.037 0.000 1.149 534 P CA 1.569 64.694 63.100 0.041 0.000 0.817 534 P CB -0.090 31.638 31.700 0.047 0.000 0.785 535 R N 0.094 120.610 120.500 0.027 0.000 2.127 535 R HA 0.131 4.470 4.340 -0.000 0.000 0.217 535 R C 2.456 178.744 176.300 -0.020 0.000 1.074 535 R CA 0.807 56.901 56.100 -0.011 0.000 0.991 535 R CB -1.569 28.663 30.300 -0.114 0.000 0.895 535 R HN 0.122 nan 8.270 nan 0.000 0.450 536 L N -0.355 120.868 121.223 0.000 0.000 2.056 536 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 536 L C 2.103 178.991 176.870 0.029 0.000 1.078 536 L CA 1.062 55.914 54.840 0.020 0.000 0.749 536 L CB -0.358 41.725 42.059 0.039 0.000 0.901 536 L HN 0.019 nan 8.230 nan 0.000 0.433 537 V N -0.534 119.394 119.914 0.024 0.000 2.343 537 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 537 V C 2.424 178.515 176.094 -0.004 0.000 1.051 537 V CA 1.792 64.092 62.300 0.000 0.000 1.036 537 V CB -0.554 31.265 31.823 -0.008 0.000 0.654 537 V HN 0.521 nan 8.190 nan 0.000 0.451 538 Q N -0.408 119.399 119.800 0.011 0.000 2.096 538 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 538 Q C 2.249 178.275 176.000 0.042 0.000 0.982 538 Q CA 1.822 57.638 55.803 0.022 0.000 0.850 538 Q CB -0.141 28.615 28.738 0.030 0.000 0.901 538 Q HN 0.606 nan 8.270 nan 0.000 0.422 539 L N 0.170 121.425 121.223 0.054 0.000 2.141 539 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 539 L C 2.424 179.359 176.870 0.108 0.000 1.094 539 L CA 0.280 55.185 54.840 0.109 0.000 0.763 539 L CB -0.395 41.737 42.059 0.122 0.000 0.908 539 L HN 0.315 nan 8.230 nan 0.000 0.437 540 L N -0.358 120.899 121.223 0.057 0.000 2.042 540 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 540 L C 2.362 179.250 176.870 0.030 0.000 1.076 540 L CA 1.691 56.550 54.840 0.031 0.000 0.749 540 L CB -0.390 41.655 42.059 -0.022 0.000 0.893 540 L HN -0.075 nan 8.230 nan 0.000 0.432 541 V N 0.013 119.936 119.914 0.016 0.000 2.237 541 V HA -0.313 3.807 4.120 -0.000 0.000 0.245 541 V C 2.717 178.863 176.094 0.087 0.000 1.046 541 V CA 2.251 64.567 62.300 0.027 0.000 1.007 541 V CB -0.803 31.024 31.823 0.006 0.000 0.638 541 V HN 0.536 nan 8.190 nan 0.000 0.445 542 R N 0.040 120.598 120.500 0.097 0.000 2.200 542 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 542 R C 2.053 178.424 176.300 0.118 0.000 1.127 542 R CA 1.392 57.564 56.100 0.120 0.000 0.989 542 R CB -0.273 30.122 30.300 0.158 0.000 0.869 542 R HN 0.546 nan 8.270 nan 0.000 0.459 543 A N -0.696 122.185 122.820 0.103 0.000 1.943 543 A HA -0.112 4.208 4.320 -0.000 0.000 0.213 543 A C 1.772 179.374 177.584 0.029 0.000 1.181 543 A CA 1.085 53.134 52.037 0.020 0.000 0.653 543 A CB -0.615 18.375 19.000 -0.018 0.000 0.833 543 A HN 0.514 nan 8.150 nan 0.000 0.451 544 H N 0.371 119.426 119.070 -0.024 0.000 2.321 544 H HA -0.218 4.338 4.556 -0.000 0.000 0.295 544 H C 2.092 177.405 175.328 -0.025 0.000 1.102 544 H CA 2.635 58.667 56.048 -0.026 0.000 1.266 544 H CB -0.148 29.599 29.762 -0.026 0.000 1.363 544 H HN 0.604 nan 8.280 nan 0.000 0.492 545 Q N 0.096 119.856 119.800 -0.068 0.000 1.969 545 Q HA -0.055 4.284 4.340 -0.000 0.000 0.198 545 Q C 0.898 176.837 176.000 -0.102 0.000 0.978 545 Q CA 0.724 56.455 55.803 -0.120 0.000 0.830 545 Q CB -0.128 28.598 28.738 -0.020 0.000 0.896 545 Q HN 0.530 nan 8.270 nan 0.000 0.431 562 E N 2.468 122.720 120.200 0.087 0.000 3.870 562 E HA -0.295 4.055 4.350 -0.000 0.000 0.329 562 E C 1.178 177.815 176.600 0.061 0.000 0.702 562 E CA 1.579 58.041 56.400 0.102 0.000 1.174 562 E CB -0.876 28.977 29.700 0.255 0.000 1.619 562 E HN 1.985 nan 8.360 nan 0.000 0.441 563 G N -0.966 107.852 108.800 0.030 0.000 2.183 563 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.168 563 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.168 563 G C -0.090 174.808 174.900 -0.003 0.000 1.008 563 G CA -0.027 45.081 45.100 0.014 0.000 0.677 563 G HN 0.329 nan 8.290 nan 0.000 0.498 564 V N 0.826 120.718 119.914 -0.037 0.000 2.540 564 V HA 0.687 4.807 4.120 -0.000 0.000 0.302 564 V C 0.387 176.374 176.094 -0.179 0.000 1.035 564 V CA -1.201 61.040 62.300 -0.098 0.000 0.873 564 V CB 1.636 33.387 31.823 -0.119 0.000 0.992 564 V HN 0.315 nan 8.190 nan 0.000 0.428 565 R N 4.011 124.428 120.500 -0.140 0.000 2.340 565 R HA 0.383 4.723 4.340 -0.000 0.000 0.300 565 R C 1.070 177.246 176.300 -0.207 0.000 1.069 565 R CA -0.365 55.649 56.100 -0.143 0.000 0.984 565 R CB 0.390 30.639 30.300 -0.086 0.000 1.003 565 R HN 0.555 nan 8.270 nan 0.000 0.459 566 M N 1.764 121.226 119.600 -0.230 0.000 2.460 566 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 566 M C 0.670 176.878 176.300 -0.154 0.000 1.071 566 M CA 1.420 56.562 55.300 -0.264 0.000 1.096 566 M CB -0.426 32.033 32.600 -0.233 0.000 1.408 566 M HN 0.587 nan 8.290 nan 0.000 0.463 567 E N 0.330 120.469 120.200 -0.102 0.000 2.274 567 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 567 E C 1.808 178.387 176.600 -0.036 0.000 0.996 567 E CA 0.759 57.129 56.400 -0.050 0.000 0.840 567 E CB -0.081 29.599 29.700 -0.033 0.000 0.772 567 E HN 0.573 nan 8.360 nan 0.000 0.491 568 E N 0.501 120.666 120.200 -0.057 0.000 2.072 568 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 568 E C 1.793 178.379 176.600 -0.024 0.000 0.982 568 E CA 0.631 57.012 56.400 -0.032 0.000 0.803 568 E CB -0.035 29.642 29.700 -0.037 0.000 0.755 568 E HN 0.211 nan 8.360 nan 0.000 0.453 569 I N 1.297 121.827 120.570 -0.067 0.000 2.454 569 I HA -0.177 3.993 4.170 -0.000 0.000 0.254 569 I C 2.264 178.386 176.117 0.008 0.000 1.156 569 I CA 1.005 62.283 61.300 -0.037 0.000 1.433 569 I CB -0.791 37.126 38.000 -0.138 0.000 1.082 569 I HN -0.011 nan 8.210 nan 0.000 0.432 570 V N 0.167 120.083 119.914 0.003 0.000 2.535 570 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 570 V C 2.463 178.589 176.094 0.054 0.000 1.045 570 V CA 1.146 63.470 62.300 0.039 0.000 1.058 570 V CB -0.423 31.434 31.823 0.056 0.000 0.689 570 V HN 0.384 nan 8.190 nan 0.000 0.461 571 E N 0.646 120.872 120.200 0.043 0.000 2.107 571 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 571 E C 2.220 178.856 176.600 0.060 0.000 0.982 571 E CA 1.235 57.665 56.400 0.051 0.000 0.809 571 E CB -0.137 29.587 29.700 0.040 0.000 0.756 571 E HN 0.580 nan 8.360 nan 0.000 0.459 572 G N 0.543 109.376 108.800 0.054 0.000 2.394 572 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.214 572 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.214 572 G C 1.784 176.728 174.900 0.072 0.000 1.176 572 G CA 0.720 45.856 45.100 0.061 0.000 0.786 572 G HN 0.339 nan 8.290 nan 0.000 0.533 573 C N 0.875 120.220 119.300 0.075 0.000 2.413 573 C HA -0.064 4.396 4.460 -0.000 0.000 0.276 573 C C 3.291 178.347 174.990 0.111 0.000 1.248 573 C CA 1.767 60.836 59.018 0.084 0.000 1.742 573 C CB -0.979 26.807 27.740 0.077 0.000 2.017 573 C HN 0.466 nan 8.230 nan 0.000 0.481 574 T N 0.080 114.708 114.554 0.125 0.000 2.777 574 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 574 T C 1.959 176.740 174.700 0.136 0.000 1.040 574 T CA 1.652 63.854 62.100 0.170 0.000 1.141 574 T CB -0.634 68.332 68.868 0.162 0.000 0.868 574 T HN 0.670 nan 8.240 nan 0.000 0.444 575 G N 0.899 109.769 108.800 0.118 0.000 2.470 575 G HA2 0.026 3.985 3.960 -0.000 0.000 0.220 575 G HA3 0.026 3.985 3.960 -0.000 0.000 0.220 575 G C 1.718 176.684 174.900 0.109 0.000 1.121 575 G CA 0.841 46.023 45.100 0.137 0.000 0.766 575 G HN 0.582 nan 8.290 nan 0.000 0.553 576 A N 0.776 123.652 122.820 0.093 0.000 1.855 576 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 576 A C 2.367 180.000 177.584 0.082 0.000 1.191 576 A CA 1.095 53.176 52.037 0.074 0.000 0.613 576 A CB -0.415 18.627 19.000 0.071 0.000 0.829 576 A HN 0.324 nan 8.150 nan 0.000 0.442 577 L N -1.176 120.112 121.223 0.108 0.000 2.131 577 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 577 L C 2.555 179.476 176.870 0.085 0.000 1.092 577 L CA 1.578 56.482 54.840 0.106 0.000 0.759 577 L CB -0.778 41.382 42.059 0.169 0.000 0.903 577 L HN 0.676 nan 8.230 nan 0.000 0.435 578 H N 0.497 119.539 119.070 -0.046 0.000 2.319 578 H HA -0.189 4.367 4.556 -0.000 0.000 0.299 578 H C 2.233 177.525 175.328 -0.061 0.000 1.092 578 H CA 1.626 57.613 56.048 -0.101 0.000 1.302 578 H CB 0.360 30.060 29.762 -0.104 0.000 1.373 578 H HN 0.165 nan 8.280 nan 0.000 0.497 579 I N 0.868 121.389 120.570 -0.081 0.000 2.406 579 I HA -0.199 3.971 4.170 -0.000 0.000 0.249 579 I C 2.642 178.751 176.117 -0.013 0.000 1.122 579 I CA 0.663 61.890 61.300 -0.122 0.000 1.431 579 I CB -0.985 36.964 38.000 -0.085 0.000 1.087 579 I HN 0.375 nan 8.210 nan 0.000 0.424 580 L N 1.157 122.397 121.223 0.027 0.000 2.083 580 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 580 L C 2.483 179.326 176.870 -0.046 0.000 1.083 580 L CA 1.138 56.000 54.840 0.036 0.000 0.752 580 L CB -0.577 41.521 42.059 0.064 0.000 0.899 580 L HN 0.184 nan 8.230 nan 0.000 0.433 581 A N -0.223 122.580 122.820 -0.027 0.000 2.292 581 A HA -0.144 4.176 4.320 -0.000 0.000 0.209 581 A C 2.091 179.623 177.584 -0.086 0.000 1.209 581 A CA 0.820 52.829 52.037 -0.046 0.000 0.746 581 A CB -0.633 18.346 19.000 -0.035 0.000 0.764 581 A HN 0.381 nan 8.150 nan 0.000 0.492 582 R N -0.103 120.307 120.500 -0.150 0.000 2.236 582 R HA -0.009 4.331 4.340 -0.000 0.000 0.208 582 R C 0.132 176.287 176.300 -0.242 0.000 1.036 582 R CA 0.679 56.669 56.100 -0.184 0.000 1.001 582 R CB 0.084 30.257 30.300 -0.210 0.000 0.896 582 R HN 0.584 nan 8.270 nan 0.000 0.464 583 D N 0.616 120.845 120.400 -0.284 0.000 2.256 583 D HA 0.007 4.647 4.640 -0.000 0.000 0.240 583 D C 1.058 177.275 176.300 -0.137 0.000 1.062 583 D CA -0.195 53.677 54.000 -0.213 0.000 0.832 583 D CB 2.354 43.036 40.800 -0.197 0.000 1.135 583 D HN -0.221 nan 8.370 nan 0.000 0.484 584 V N 5.925 125.730 119.914 -0.182 0.000 2.278 584 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 584 V C 1.954 177.957 176.094 -0.152 0.000 1.062 584 V CA 1.945 64.128 62.300 -0.195 0.000 1.038 584 V CB -0.690 30.970 31.823 -0.273 0.000 0.646 584 V HN 0.664 nan 8.190 nan 0.000 0.447 585 H N 0.628 119.685 119.070 -0.021 0.000 2.321 585 H HA -0.151 4.405 4.556 -0.000 0.000 0.295 585 H C 2.275 177.600 175.328 -0.004 0.000 1.102 585 H CA 2.027 58.070 56.048 -0.008 0.000 1.266 585 H CB -0.734 29.028 29.762 0.001 0.000 1.363 585 H HN 0.527 nan 8.280 nan 0.000 0.492 586 N N 1.136 119.902 118.700 0.110 0.000 2.166 586 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 586 N C 2.057 177.590 175.510 0.039 0.000 1.019 586 N CA 0.548 53.636 53.050 0.064 0.000 0.856 586 N CB -0.234 38.276 38.487 0.038 0.000 0.993 586 N HN 0.419 nan 8.380 nan 0.000 0.426 587 R N 0.791 121.296 120.500 0.009 0.000 2.081 587 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 587 R C 2.257 178.567 176.300 0.017 0.000 1.131 587 R CA 0.847 56.947 56.100 -0.000 0.000 0.960 587 R CB -0.412 29.870 30.300 -0.030 0.000 0.856 587 R HN 0.274 nan 8.270 nan 0.000 0.436 588 I N 0.543 121.126 120.570 0.021 0.000 2.454 588 I HA -0.225 3.945 4.170 -0.000 0.000 0.254 588 I C 2.188 178.329 176.117 0.040 0.000 1.156 588 I CA 0.953 62.270 61.300 0.028 0.000 1.433 588 I CB -0.231 37.791 38.000 0.036 0.000 1.082 588 I HN -0.046 nan 8.210 nan 0.000 0.432 589 V N 1.063 121.007 119.914 0.049 0.000 2.302 589 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 589 V C 2.325 178.451 176.094 0.054 0.000 1.036 589 V CA 1.563 63.893 62.300 0.050 0.000 1.020 589 V CB -0.359 31.497 31.823 0.055 0.000 0.657 589 V HN 0.274 nan 8.190 nan 0.000 0.453 590 I N 0.011 120.620 120.570 0.065 0.000 2.127 590 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 590 I C 2.811 178.988 176.117 0.099 0.000 1.075 590 I CA 1.830 63.187 61.300 0.093 0.000 1.334 590 I CB -0.587 37.480 38.000 0.112 0.000 1.040 590 I HN 0.230 nan 8.210 nan 0.000 0.405 591 R N 1.773 122.320 120.500 0.079 0.000 2.091 591 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 591 R C 1.701 178.031 176.300 0.051 0.000 1.136 591 R CA 1.759 57.901 56.100 0.070 0.000 0.959 591 R CB -0.791 29.535 30.300 0.043 0.000 0.856 591 R HN 0.419 nan 8.270 nan 0.000 0.437 592 G N 0.834 109.658 108.800 0.040 0.000 3.375 592 G HA2 0.179 4.139 3.960 -0.000 0.000 0.247 592 G HA3 0.179 4.139 3.960 -0.000 0.000 0.247 592 G C 0.640 175.555 174.900 0.024 0.000 1.343 592 G CA -0.252 44.865 45.100 0.029 0.000 1.368 592 G HN 0.303 nan 8.290 nan 0.000 0.549 593 L N -0.639 120.598 121.223 0.024 0.000 3.429 593 L HA 0.246 4.586 4.340 -0.000 0.000 0.311 593 L C 0.763 177.627 176.870 -0.010 0.000 1.274 593 L CA -0.554 54.292 54.840 0.009 0.000 1.037 593 L CB 0.196 42.261 42.059 0.011 0.000 1.433 593 L HN 0.291 nan 8.230 nan 0.000 0.614 594 N N 1.070 119.768 118.700 -0.003 0.000 2.714 594 N HA -0.227 4.513 4.740 -0.000 0.000 0.253 594 N C 0.980 176.460 175.510 -0.051 0.000 1.024 594 N CA 1.048 54.089 53.050 -0.016 0.000 0.726 594 N CB -0.381 38.094 38.487 -0.021 0.000 0.908 594 N HN 0.553 nan 8.380 nan 0.000 0.542 595 T N -3.242 111.285 114.554 -0.044 0.000 3.031 595 T HA 0.157 4.507 4.350 -0.000 0.000 0.254 595 T C 1.981 176.594 174.700 -0.144 0.000 1.060 595 T CA 0.654 62.650 62.100 -0.173 0.000 1.135 595 T CB -0.197 68.585 68.868 -0.144 0.000 0.896 595 T HN 0.322 nan 8.240 nan 0.000 0.472 596 I N 2.423 123.046 120.570 0.088 0.000 2.143 596 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 596 I C -0.577 175.588 176.117 0.080 0.000 1.068 596 I CA 1.777 63.181 61.300 0.173 0.000 1.326 596 I CB -1.466 36.602 38.000 0.114 0.000 1.028 596 I HN 0.245 nan 8.210 nan 0.000 0.412 597 P HA -0.195 nan 4.420 nan 0.000 0.216 597 P C 1.798 179.073 177.300 -0.041 0.000 1.150 597 P CA 1.262 64.358 63.100 -0.007 0.000 0.843 597 P CB 0.026 31.711 31.700 -0.026 0.000 0.787 598 L N -1.835 119.302 121.223 -0.144 0.000 2.044 598 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 598 L C 2.083 178.858 176.870 -0.158 0.000 1.075 598 L CA 1.810 56.505 54.840 -0.243 0.000 0.747 598 L CB -1.430 40.383 42.059 -0.410 0.000 0.903 598 L HN -0.170 nan 8.230 nan 0.000 0.435 599 F N -0.666 119.245 119.950 -0.065 0.000 2.154 599 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 599 F C 2.492 178.272 175.800 -0.033 0.000 1.087 599 F CA 1.601 59.567 58.000 -0.056 0.000 1.274 599 F CB -1.287 37.678 39.000 -0.058 0.000 1.009 599 F HN -0.082 nan 8.300 nan 0.000 0.485 600 V N -0.714 119.305 119.914 0.176 0.000 2.515 600 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 600 V C 2.205 178.405 176.094 0.177 0.000 1.058 600 V CA 1.639 64.018 62.300 0.130 0.000 1.064 600 V CB -0.662 31.228 31.823 0.112 0.000 0.675 600 V HN 0.368 nan 8.190 nan 0.000 0.461 601 Q N -0.597 119.295 119.800 0.152 0.000 2.297 601 Q HA -0.026 4.313 4.340 -0.000 0.000 0.204 601 Q C 2.124 178.272 176.000 0.248 0.000 0.962 601 Q CA 0.961 56.892 55.803 0.214 0.000 0.879 601 Q CB -0.053 28.722 28.738 0.063 0.000 0.947 601 Q HN 0.575 nan 8.270 nan 0.000 0.462 602 L N 0.218 121.530 121.223 0.149 0.000 2.465 602 L HA -0.098 4.242 4.340 -0.000 0.000 0.224 602 L C 1.858 178.791 176.870 0.105 0.000 1.145 602 L CA 0.320 55.241 54.840 0.134 0.000 0.834 602 L CB -0.191 41.933 42.059 0.109 0.000 0.944 602 L HN 0.265 nan 8.230 nan 0.000 0.451 603 L N -1.366 119.895 121.223 0.065 0.000 2.265 603 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 603 L C 1.620 178.397 176.870 -0.156 0.000 1.117 603 L CA 1.166 55.953 54.840 -0.089 0.000 0.782 603 L CB -0.445 41.490 42.059 -0.207 0.000 0.914 603 L HN 0.271 nan 8.230 nan 0.000 0.441 604 Y N -0.864 119.453 120.300 0.028 0.000 2.471 604 Y HA 0.102 4.652 4.550 -0.000 0.000 0.286 604 Y C 1.585 177.503 175.900 0.030 0.000 1.188 604 Y CA -0.227 57.889 58.100 0.027 0.000 1.286 604 Y CB 0.074 38.552 38.460 0.030 0.000 1.072 604 Y HN -0.025 nan 8.280 nan 0.000 0.517 605 S N 0.929 116.714 115.700 0.141 0.000 2.580 605 S HA 0.122 4.592 4.470 -0.000 0.000 0.274 605 S C -1.691 172.948 174.600 0.064 0.000 1.329 605 S CA -1.236 57.024 58.200 0.100 0.000 1.036 605 S CB 0.900 64.152 63.200 0.086 0.000 0.919 605 S HN 0.042 nan 8.310 nan 0.000 0.515 606 P HA 0.279 nan 4.420 nan 0.000 0.249 606 P C -0.571 176.745 177.300 0.028 0.000 1.229 606 P CA 0.430 63.552 63.100 0.037 0.000 0.788 606 P CB -0.007 31.711 31.700 0.031 0.000 1.072 607 I N 0.048 120.637 120.570 0.031 0.000 2.306 607 I HA 0.152 4.322 4.170 -0.000 0.000 0.288 607 I C 1.342 177.475 176.117 0.026 0.000 1.036 607 I CA -0.390 60.926 61.300 0.026 0.000 1.221 607 I CB 1.216 39.232 38.000 0.026 0.000 1.385 607 I HN -0.156 nan 8.210 nan 0.000 0.472 608 E N 3.406 123.620 120.200 0.023 0.000 2.114 608 E HA -0.266 4.083 4.350 -0.000 0.000 0.199 608 E C 1.375 177.993 176.600 0.029 0.000 1.008 608 E CA 1.749 58.163 56.400 0.023 0.000 0.810 608 E CB 0.054 29.768 29.700 0.023 0.000 0.739 608 E HN 0.648 nan 8.360 nan 0.000 0.456 609 N N 0.586 119.305 118.700 0.032 0.000 2.036 609 N HA -0.176 4.564 4.740 -0.000 0.000 0.195 609 N C 1.766 177.299 175.510 0.038 0.000 1.037 609 N CA 1.192 54.265 53.050 0.038 0.000 0.855 609 N CB -0.223 38.286 38.487 0.037 0.000 1.033 609 N HN 0.165 nan 8.380 nan 0.000 0.423 610 I N 0.726 121.318 120.570 0.036 0.000 2.454 610 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 610 I C 1.981 178.111 176.117 0.022 0.000 1.156 610 I CA 1.049 62.372 61.300 0.038 0.000 1.433 610 I CB -0.290 37.739 38.000 0.049 0.000 1.082 610 I HN 0.259 nan 8.210 nan 0.000 0.432 611 Q N 0.226 120.036 119.800 0.016 0.000 2.079 611 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 611 Q C 2.322 178.311 176.000 -0.018 0.000 0.974 611 Q CA 1.241 57.043 55.803 -0.003 0.000 0.840 611 Q CB -0.182 28.555 28.738 -0.001 0.000 0.898 611 Q HN 0.421 nan 8.270 nan 0.000 0.430 612 R N 0.665 121.171 120.500 0.010 0.000 2.070 612 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 612 R C 2.304 178.541 176.300 -0.105 0.000 1.138 612 R CA 1.803 57.923 56.100 0.033 0.000 0.936 612 R CB -0.243 30.120 30.300 0.105 0.000 0.839 612 R HN 0.285 nan 8.270 nan 0.000 0.429 613 V N -1.448 118.412 119.914 -0.090 0.000 2.626 613 V HA -0.020 4.100 4.120 -0.000 0.000 0.252 613 V C 2.213 178.117 176.094 -0.316 0.000 1.067 613 V CA 1.558 63.731 62.300 -0.212 0.000 1.081 613 V CB -0.928 30.894 31.823 -0.002 0.000 0.686 613 V HN 0.401 nan 8.190 nan 0.000 0.468 614 A N 0.859 123.572 122.820 -0.178 0.000 1.872 614 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 614 A C 2.407 179.830 177.584 -0.267 0.000 1.187 614 A CA 1.770 53.718 52.037 -0.148 0.000 0.614 614 A CB -0.917 18.074 19.000 -0.015 0.000 0.826 614 A HN 0.840 nan 8.150 nan 0.000 0.442 615 A N -0.622 122.047 122.820 -0.252 0.000 2.119 615 A HA 0.261 4.581 4.320 -0.000 0.000 0.217 615 A C 2.194 179.476 177.584 -0.504 0.000 1.153 615 A CA 1.539 53.420 52.037 -0.260 0.000 0.692 615 A CB -0.939 17.988 19.000 -0.123 0.000 0.799 615 A HN 0.610 nan 8.150 nan 0.000 0.458 616 G N -0.816 107.488 108.800 -0.825 0.000 2.404 616 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.214 616 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.214 616 G C 1.565 175.887 174.900 -0.963 0.000 1.189 616 G CA 0.988 45.238 45.100 -1.416 0.000 0.789 616 G HN 0.407 nan 8.290 nan 0.000 0.533 617 V N 0.779 120.198 119.914 -0.825 0.000 2.490 617 V HA -0.058 4.062 4.120 -0.000 0.000 0.250 617 V C 2.808 178.597 176.094 -0.508 0.000 1.061 617 V CA 1.548 63.487 62.300 -0.602 0.000 1.064 617 V CB -0.237 31.124 31.823 -0.769 0.000 0.670 617 V HN 0.392 nan 8.190 nan 0.000 0.461 618 L N -0.717 120.218 121.223 -0.480 0.000 2.093 618 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 618 L C 2.740 179.485 176.870 -0.208 0.000 1.085 618 L CA 1.679 56.337 54.840 -0.304 0.000 0.755 618 L CB -0.786 41.141 42.059 -0.220 0.000 0.904 618 L HN 0.554 nan 8.230 nan 0.000 0.435 619 C N 0.111 119.271 119.300 -0.234 0.000 2.422 619 C HA -0.132 4.328 4.460 -0.000 0.000 0.279 619 C C 2.759 177.704 174.990 -0.075 0.000 1.305 619 C CA 0.806 59.758 59.018 -0.110 0.000 1.757 619 C CB -0.541 27.154 27.740 -0.075 0.000 1.962 619 C HN 0.463 nan 8.230 nan 0.000 0.499 620 E N 0.716 120.841 120.200 -0.125 0.000 2.028 620 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 620 E C 2.186 178.743 176.600 -0.072 0.000 0.984 620 E CA 1.237 57.594 56.400 -0.072 0.000 0.800 620 E CB -0.654 29.004 29.700 -0.070 0.000 0.758 620 E HN 0.683 nan 8.360 nan 0.000 0.448 621 L N 0.517 121.677 121.223 -0.104 0.000 2.201 621 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 621 L C 2.296 179.132 176.870 -0.057 0.000 1.105 621 L CA 0.872 55.666 54.840 -0.077 0.000 0.775 621 L CB -0.444 41.562 42.059 -0.087 0.000 0.913 621 L HN 0.026 nan 8.230 nan 0.000 0.440 622 A N 0.317 123.101 122.820 -0.060 0.000 2.216 622 A HA -0.168 4.151 4.320 -0.000 0.000 0.214 622 A C 2.030 179.590 177.584 -0.039 0.000 1.160 622 A CA 0.774 52.784 52.037 -0.045 0.000 0.725 622 A CB -0.516 18.459 19.000 -0.043 0.000 0.784 622 A HN 0.661 nan 8.150 nan 0.000 0.472 623 Q N -0.399 119.382 119.800 -0.032 0.000 2.431 623 Q HA 0.052 4.392 4.340 -0.000 0.000 0.210 623 Q C -1.027 174.952 176.000 -0.035 0.000 0.958 623 Q CA 0.338 56.125 55.803 -0.027 0.000 0.957 623 Q CB -0.030 28.700 28.738 -0.013 0.000 1.007 623 Q HN 0.393 nan 8.270 nan 0.000 0.511 624 D N 1.224 121.601 120.400 -0.038 0.000 2.620 624 D HA 0.102 4.742 4.640 -0.000 0.000 0.252 624 D C -0.048 176.231 176.300 -0.035 0.000 1.207 624 D CA -0.384 53.594 54.000 -0.036 0.000 0.884 624 D CB 1.854 42.635 40.800 -0.032 0.000 1.262 624 D HN 0.058 nan 8.370 nan 0.000 0.552 625 K N 2.182 122.559 120.400 -0.038 0.000 2.007 625 K HA -0.320 4.000 4.320 -0.000 0.000 0.231 625 K C 1.284 177.867 176.600 -0.029 0.000 1.044 625 K CA 1.947 58.212 56.287 -0.037 0.000 0.996 625 K CB 0.157 32.637 32.500 -0.033 0.000 0.738 625 K HN 0.438 nan 8.250 nan 0.000 0.447 626 E N -0.542 119.645 120.200 -0.022 0.000 2.065 626 E HA -0.280 4.070 4.350 -0.000 0.000 0.201 626 E C 2.021 178.614 176.600 -0.013 0.000 1.016 626 E CA 1.427 57.818 56.400 -0.015 0.000 0.818 626 E CB -0.257 29.437 29.700 -0.010 0.000 0.749 626 E HN 0.535 nan 8.360 nan 0.000 0.453 627 A N 1.505 124.316 122.820 -0.015 0.000 1.873 627 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 627 A C 2.439 180.013 177.584 -0.016 0.000 1.193 627 A CA 2.221 54.251 52.037 -0.012 0.000 0.629 627 A CB -0.943 18.046 19.000 -0.018 0.000 0.826 627 A HN 0.338 nan 8.150 nan 0.000 0.447 628 A N -0.364 122.441 122.820 -0.026 0.000 1.873 628 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 628 A C 1.921 179.491 177.584 -0.023 0.000 1.193 628 A CA 1.948 53.967 52.037 -0.031 0.000 0.629 628 A CB -0.769 18.204 19.000 -0.045 0.000 0.826 628 A HN 0.664 nan 8.150 nan 0.000 0.447 629 E N -0.524 119.663 120.200 -0.021 0.000 2.097 629 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 629 E C 2.271 178.867 176.600 -0.007 0.000 1.000 629 E CA 1.116 57.507 56.400 -0.015 0.000 0.804 629 E CB -0.313 29.377 29.700 -0.015 0.000 0.740 629 E HN 0.645 nan 8.360 nan 0.000 0.454 630 A N 0.821 123.639 122.820 -0.003 0.000 1.969 630 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 630 A C 2.107 179.697 177.584 0.010 0.000 1.169 630 A CA 0.900 52.940 52.037 0.005 0.000 0.635 630 A CB -0.433 18.572 19.000 0.009 0.000 0.810 630 A HN 0.142 nan 8.150 nan 0.000 0.445 631 I N -0.893 119.681 120.570 0.007 0.000 2.233 631 I HA -0.199 3.971 4.170 -0.000 0.000 0.243 631 I C 2.504 178.627 176.117 0.009 0.000 1.093 631 I CA 1.585 62.892 61.300 0.011 0.000 1.380 631 I CB -0.338 37.661 38.000 -0.001 0.000 1.067 631 I HN 0.474 nan 8.210 nan 0.000 0.413 632 E N 1.419 121.619 120.200 0.000 0.000 2.204 632 E HA -0.206 4.143 4.350 -0.000 0.000 0.195 632 E C 2.169 178.773 176.600 0.007 0.000 0.990 632 E CA 1.047 57.448 56.400 0.001 0.000 0.821 632 E CB 0.074 29.770 29.700 -0.007 0.000 0.750 632 E HN 0.489 nan 8.360 nan 0.000 0.477 633 A N 0.896 123.720 122.820 0.007 0.000 2.014 633 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 633 A C 1.861 179.455 177.584 0.016 0.000 1.163 633 A CA 0.859 52.902 52.037 0.009 0.000 0.652 633 A CB -0.138 18.866 19.000 0.007 0.000 0.808 633 A HN 0.158 nan 8.150 nan 0.000 0.449 634 E N -1.093 119.120 120.200 0.022 0.000 2.216 634 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 634 E C 1.171 177.796 176.600 0.041 0.000 0.988 634 E CA 0.944 57.362 56.400 0.031 0.000 0.834 634 E CB -0.142 29.582 29.700 0.039 0.000 0.772 634 E HN 0.813 nan 8.360 nan 0.000 0.479 635 G N 0.411 109.234 108.800 0.037 0.000 2.237 635 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.153 635 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.153 635 G C 0.827 175.757 174.900 0.050 0.000 1.039 635 G CA 0.370 45.497 45.100 0.044 0.000 0.719 635 G HN 0.361 nan 8.290 nan 0.000 0.491 636 A N -0.558 122.280 122.820 0.030 0.000 2.119 636 A HA 0.298 4.618 4.320 -0.000 0.000 0.216 636 A C 2.338 179.912 177.584 -0.016 0.000 1.152 636 A CA 2.408 54.450 52.037 0.008 0.000 0.708 636 A CB -0.422 18.579 19.000 0.001 0.000 0.805 636 A HN 0.743 nan 8.150 nan 0.000 0.460 637 T N 0.385 114.936 114.554 -0.005 0.000 2.803 637 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 637 T C 2.174 176.861 174.700 -0.022 0.000 1.052 637 T CA 1.434 63.527 62.100 -0.013 0.000 1.136 637 T CB -0.316 68.551 68.868 -0.003 0.000 0.864 637 T HN 0.605 nan 8.240 nan 0.000 0.467 638 A N 2.071 124.886 122.820 -0.009 0.000 1.835 638 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 638 A C 0.234 177.781 177.584 -0.062 0.000 1.199 638 A CA 1.131 53.162 52.037 -0.010 0.000 0.615 638 A CB -1.631 17.392 19.000 0.037 0.000 0.838 638 A HN 0.361 nan 8.150 nan 0.000 0.444 639 P HA -0.082 nan 4.420 nan 0.000 0.217 639 P C 1.457 178.649 177.300 -0.180 0.000 1.150 639 P CA 0.696 63.651 63.100 -0.241 0.000 0.832 639 P CB -0.137 31.272 31.700 -0.486 0.000 0.787 640 L N -1.210 119.934 121.223 -0.131 0.000 2.129 640 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 640 L C 2.088 178.887 176.870 -0.118 0.000 1.087 640 L CA 1.703 56.481 54.840 -0.104 0.000 0.757 640 L CB -1.264 40.756 42.059 -0.065 0.000 0.896 640 L HN 0.091 nan 8.230 nan 0.000 0.434 641 T N -0.981 113.500 114.554 -0.122 0.000 2.857 641 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 641 T C 2.179 176.696 174.700 -0.305 0.000 1.048 641 T CA 1.431 63.432 62.100 -0.165 0.000 1.139 641 T CB -0.220 68.588 68.868 -0.100 0.000 0.874 641 T HN 0.579 nan 8.240 nan 0.000 0.455 642 E N 1.398 121.462 120.200 -0.226 0.000 2.106 642 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 642 E C 1.986 178.448 176.600 -0.230 0.000 0.984 642 E CA 0.775 57.040 56.400 -0.225 0.000 0.806 642 E CB -1.041 28.589 29.700 -0.117 0.000 0.750 642 E HN 0.568 nan 8.360 nan 0.000 0.458 643 L N -0.012 121.102 121.223 -0.182 0.000 2.622 643 L HA 0.101 4.441 4.340 -0.000 0.000 0.233 643 L C 2.479 179.280 176.870 -0.115 0.000 1.156 643 L CA 0.155 54.923 54.840 -0.119 0.000 0.866 643 L CB -0.077 41.926 42.059 -0.093 0.000 0.980 643 L HN 0.291 nan 8.230 nan 0.000 0.448 644 L N -0.966 120.125 121.223 -0.221 0.000 2.156 644 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 644 L C 1.610 178.479 176.870 -0.002 0.000 1.095 644 L CA 1.115 55.865 54.840 -0.149 0.000 0.770 644 L CB -0.359 41.567 42.059 -0.222 0.000 0.914 644 L HN 0.431 nan 8.230 nan 0.000 0.439 645 H N -2.019 117.045 119.070 -0.009 0.000 2.538 645 H HA 0.118 4.674 4.556 -0.000 0.000 0.286 645 H C 0.921 176.244 175.328 -0.008 0.000 1.035 645 H CA -0.552 55.491 56.048 -0.009 0.000 1.169 645 H CB 0.363 30.121 29.762 -0.007 0.000 1.417 645 H HN 0.071 nan 8.280 nan 0.000 0.567 646 S N 0.880 116.625 115.700 0.075 0.000 2.576 646 S HA 0.089 4.559 4.470 -0.000 0.000 0.276 646 S C 1.292 175.914 174.600 0.037 0.000 1.339 646 S CA -0.604 57.621 58.200 0.042 0.000 1.039 646 S CB 0.760 63.969 63.200 0.016 0.000 0.902 646 S HN 0.481 nan 8.310 nan 0.000 0.516 647 R N 2.055 122.572 120.500 0.028 0.000 2.310 647 R HA 0.130 4.470 4.340 -0.000 0.000 0.202 647 R C 0.145 176.452 176.300 0.012 0.000 0.933 647 R CA -0.066 56.045 56.100 0.018 0.000 1.054 647 R CB -0.070 30.239 30.300 0.014 0.000 0.985 647 R HN 0.444 nan 8.270 nan 0.000 0.489 648 N N 1.952 120.660 118.700 0.014 0.000 2.521 648 N HA -0.016 4.724 4.740 -0.000 0.000 0.236 648 N C 0.164 175.677 175.510 0.005 0.000 1.067 648 N CA 0.157 53.215 53.050 0.012 0.000 0.939 648 N CB 0.782 39.281 38.487 0.019 0.000 1.201 648 N HN 0.155 nan 8.380 nan 0.000 0.511 649 E N 1.552 121.748 120.200 -0.006 0.000 2.393 649 E HA -0.165 4.184 4.350 -0.000 0.000 0.201 649 E C 1.317 177.892 176.600 -0.043 0.000 1.025 649 E CA 0.976 57.362 56.400 -0.024 0.000 0.856 649 E CB 0.223 29.905 29.700 -0.031 0.000 0.771 649 E HN 0.709 nan 8.360 nan 0.000 0.526 650 G N 0.625 109.414 108.800 -0.017 0.000 2.437 650 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.212 650 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.212 650 G C 1.658 176.589 174.900 0.052 0.000 1.174 650 G CA 0.010 45.104 45.100 -0.010 0.000 0.811 650 G HN 0.124 nan 8.290 nan 0.000 0.537 651 V N 1.611 121.562 119.914 0.062 0.000 2.759 651 V HA -0.035 4.085 4.120 -0.000 0.000 0.256 651 V C 3.056 179.180 176.094 0.050 0.000 1.080 651 V CA 1.834 64.177 62.300 0.071 0.000 1.101 651 V CB -0.393 31.451 31.823 0.035 0.000 0.698 651 V HN 0.471 nan 8.190 nan 0.000 0.477 652 A N -0.226 122.605 122.820 0.018 0.000 1.850 652 A HA -0.119 4.201 4.320 -0.000 0.000 0.212 652 A C 2.377 179.954 177.584 -0.013 0.000 1.208 652 A CA 1.831 53.869 52.037 0.002 0.000 0.609 652 A CB -1.087 17.913 19.000 -0.001 0.000 0.860 652 A HN 0.398 nan 8.150 nan 0.000 0.448 653 T N -0.785 113.730 114.554 -0.066 0.000 2.760 653 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 653 T C 1.649 176.280 174.700 -0.114 0.000 1.047 653 T CA 2.075 64.094 62.100 -0.134 0.000 1.139 653 T CB -0.443 68.277 68.868 -0.247 0.000 0.855 653 T HN 0.483 nan 8.240 nan 0.000 0.471 654 Y N 0.653 120.935 120.300 -0.029 0.000 2.395 654 Y HA 0.322 4.872 4.550 -0.000 0.000 0.293 654 Y C 2.485 178.359 175.900 -0.042 0.000 1.123 654 Y CA -0.243 57.834 58.100 -0.039 0.000 1.227 654 Y CB -0.705 37.719 38.460 -0.060 0.000 1.012 654 Y HN 0.203 nan 8.280 nan 0.000 0.552 655 A N -0.556 122.330 122.820 0.111 0.000 2.014 655 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 655 A C 2.345 179.949 177.584 0.034 0.000 1.163 655 A CA 1.304 53.364 52.037 0.038 0.000 0.652 655 A CB -0.803 18.192 19.000 -0.010 0.000 0.808 655 A HN 0.314 nan 8.150 nan 0.000 0.449 656 A N -0.355 122.487 122.820 0.037 0.000 2.016 656 A HA 0.369 4.689 4.320 -0.000 0.000 0.217 656 A C 2.363 179.996 177.584 0.082 0.000 1.162 656 A CA 1.438 53.497 52.037 0.036 0.000 0.662 656 A CB -0.642 18.356 19.000 -0.003 0.000 0.812 656 A HN 0.811 nan 8.150 nan 0.000 0.450 657 A N -0.321 122.559 122.820 0.100 0.000 1.872 657 A HA 0.050 4.369 4.320 -0.000 0.000 0.214 657 A C 2.148 179.839 177.584 0.178 0.000 1.187 657 A CA 1.624 53.757 52.037 0.160 0.000 0.614 657 A CB -0.915 18.189 19.000 0.174 0.000 0.826 657 A HN 0.356 nan 8.150 nan 0.000 0.442 658 V N 0.315 120.295 119.914 0.109 0.000 2.407 658 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 658 V C 2.527 178.650 176.094 0.049 0.000 1.055 658 V CA 1.901 64.232 62.300 0.052 0.000 1.049 658 V CB -0.819 31.006 31.823 0.003 0.000 0.662 658 V HN 0.539 nan 8.190 nan 0.000 0.455 659 L N -1.262 120.002 121.223 0.068 0.000 2.109 659 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 659 L C 2.336 179.262 176.870 0.093 0.000 1.086 659 L CA 1.682 56.557 54.840 0.058 0.000 0.760 659 L CB -0.543 41.547 42.059 0.052 0.000 0.910 659 L HN 0.376 nan 8.230 nan 0.000 0.437 660 F N 0.865 120.812 119.950 -0.005 0.000 2.102 660 F HA -0.224 4.302 4.527 -0.000 0.000 0.298 660 F C 2.736 178.533 175.800 -0.005 0.000 1.105 660 F CA 1.451 59.449 58.000 -0.004 0.000 1.239 660 F CB -0.033 38.966 39.000 -0.001 0.000 0.991 660 F HN -0.164 nan 8.300 nan 0.000 0.474 661 R N 0.424 120.843 120.500 -0.136 0.000 2.075 661 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 661 R C 1.641 177.824 176.300 -0.196 0.000 1.126 661 R CA 1.676 57.630 56.100 -0.243 0.000 0.963 661 R CB -0.439 29.828 30.300 -0.056 0.000 0.858 661 R HN 0.440 nan 8.270 nan 0.000 0.435 662 M N -0.886 118.650 119.600 -0.108 0.000 3.376 662 M HA 0.281 4.761 4.480 -0.000 0.000 0.218 662 M C -0.341 175.906 176.300 -0.088 0.000 1.295 662 M CA 0.150 55.400 55.300 -0.084 0.000 1.386 662 M CB 0.816 33.389 32.600 -0.045 0.000 1.205 662 M HN -0.100 nan 8.290 nan 0.000 0.496 663 S N 0.000 115.613 115.700 -0.145 0.000 2.498 663 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 663 S CA 0.000 58.127 58.200 -0.122 0.000 1.107 663 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 663 S HN 0.000 nan 8.310 nan 0.000 0.517