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 1jdh_1_A DATA FIRST_RESID 135 DATA SEQUENCE AVVNLIXXXX XXXXXXRAIP ELTKLLNDED QVVVNKAAVM VHQLSKKEAS DATA SEQUENCE RHAIMRSPQM VSAIVRTMQN TNDVETARCT AGTLHNLSHH REGLLAIFKS DATA SEQUENCE GGIPALVKML GSPVDSVLFY AITTLHNLLL HQEGAKMAVR LAGGLQKMVA DATA SEQUENCE LLNKTNVKFL AITTDCLQIL AYGNQESKLI ILASGGPQAL VNIMRTYTYE DATA SEQUENCE KLLWTTSRVL KVLSVCSSNK PAIVEAGGMQ ALGLHLTDPS QRLVQNCLWT DATA SEQUENCE LRNLSDAATK QEGMEGLLGT LVQLLGSDDI NVVTCAAGIL SNLTCNNYKN DATA SEQUENCE KMMVCQVGGI EALVRTVLRA GDREDITEPA ICALRHLTSR HQEAEMAQNA DATA SEQUENCE VRLHYGLPVV VKLLHPPSHW PLIKATVGLI RNLALCPANH APLREQGAIP DATA SEQUENCE RLVQLLVRAH QDTQXXXXXX XXXXXFVEGV RMEEIVEGCT GALHILARDV DATA SEQUENCE HNRIVIRGLN TIPLFVQLLY SPIENIQRVA AGVLCELAQD KEAAEAIEAE DATA SEQUENCE GATAPLTELL HSRNEGVATY AAAVLFRMS 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 135 A HA 0.000 nan 4.320 nan 0.000 0.244 135 A C 0.000 177.585 177.584 0.001 0.000 1.274 135 A CA 0.000 52.038 52.037 0.001 0.000 0.836 135 A CB 0.000 19.001 19.000 0.001 0.000 0.831 136 V N 3.236 123.151 119.914 0.001 0.000 2.446 136 V HA 0.429 4.538 4.120 -0.018 0.000 0.276 136 V C 0.666 176.761 176.094 0.002 0.000 1.030 136 V CA 0.453 62.754 62.300 0.002 0.000 1.033 136 V CB 0.272 32.096 31.823 0.002 0.000 0.993 136 V HN 0.904 nan 8.190 nan 0.000 0.477 137 V N 2.480 122.395 119.914 0.001 0.000 3.302 137 V HA 0.683 4.792 4.120 -0.018 0.000 0.304 137 V C 0.589 176.684 176.094 0.001 0.000 1.209 137 V CA -1.051 61.250 62.300 0.001 0.000 1.032 137 V CB 1.459 33.282 31.823 0.001 0.000 1.219 137 V HN 0.789 nan 8.190 nan 0.000 0.469 138 N N -0.429 118.272 118.700 0.001 0.000 2.780 138 N HA -0.135 4.594 4.740 -0.018 0.000 0.248 138 N C -0.648 174.863 175.510 0.002 0.000 1.102 138 N CA 0.904 53.955 53.050 0.001 0.000 0.697 138 N CB -1.453 37.034 38.487 0.001 0.000 1.028 138 N HN 0.706 nan 8.380 nan 0.000 0.554 139 L N -0.028 121.196 121.223 0.002 0.000 2.334 139 L HA 0.919 5.248 4.340 -0.018 0.000 0.272 139 L C 1.102 177.973 176.870 0.002 0.000 1.020 139 L CA -0.763 54.078 54.840 0.002 0.000 0.812 139 L CB 1.418 43.478 42.059 0.002 0.000 1.264 139 L HN 0.104 nan 8.230 nan 0.000 0.439 152 A N 1.245 124.063 122.820 -0.003 0.000 1.902 152 A HA 0.113 4.422 4.320 -0.018 0.000 0.217 152 A C 2.108 179.689 177.584 -0.005 0.000 1.181 152 A CA 1.718 53.753 52.037 -0.002 0.000 0.623 152 A CB -0.299 18.700 19.000 -0.001 0.000 0.818 152 A HN 0.410 nan 8.150 nan 0.000 0.443 153 I N 0.005 120.570 120.570 -0.008 0.000 2.163 153 I HA -0.126 4.033 4.170 -0.018 0.000 0.240 153 I C -0.473 175.636 176.117 -0.013 0.000 1.081 153 I CA 1.270 62.562 61.300 -0.013 0.000 1.353 153 I CB -2.503 35.484 38.000 -0.022 0.000 1.054 153 I HN 0.152 nan 8.210 nan 0.000 0.407 154 P HA -0.162 nan 4.420 nan 0.000 0.219 154 P C 1.551 178.846 177.300 -0.008 0.000 1.146 154 P CA 1.258 64.351 63.100 -0.012 0.000 0.808 154 P CB 0.146 31.839 31.700 -0.011 0.000 0.779 155 E N -0.300 119.896 120.200 -0.006 0.000 2.051 155 E HA -0.068 4.271 4.350 -0.018 0.000 0.189 155 E C 1.838 178.436 176.600 -0.003 0.000 0.979 155 E CA 0.936 57.333 56.400 -0.004 0.000 0.803 155 E CB -1.121 28.578 29.700 -0.002 0.000 0.761 155 E HN 0.097 nan 8.360 nan 0.000 0.451 156 L N 0.224 121.445 121.223 -0.003 0.000 2.083 156 L HA -0.134 4.195 4.340 -0.018 0.000 0.209 156 L C 2.628 179.496 176.870 -0.003 0.000 1.083 156 L CA 1.661 56.500 54.840 -0.001 0.000 0.752 156 L CB -0.708 41.351 42.059 0.000 0.000 0.899 156 L HN 0.283 nan 8.230 nan 0.000 0.433 157 T N -0.177 114.373 114.554 -0.007 0.000 2.833 157 T HA -0.212 4.127 4.350 -0.018 0.000 0.269 157 T C 2.127 176.823 174.700 -0.007 0.000 1.054 157 T CA 2.070 64.165 62.100 -0.009 0.000 1.135 157 T CB 0.004 68.864 68.868 -0.013 0.000 0.869 157 T HN 0.403 nan 8.240 nan 0.000 0.466 158 K N 0.902 121.298 120.400 -0.006 0.000 2.062 158 K HA 0.235 4.544 4.320 -0.018 0.000 0.205 158 K C 2.346 178.944 176.600 -0.004 0.000 1.051 158 K CA 1.346 57.629 56.287 -0.005 0.000 0.941 158 K CB -1.114 31.383 32.500 -0.005 0.000 0.719 158 K HN 0.574 nan 8.250 nan 0.000 0.440 159 L N 0.192 121.413 121.223 -0.002 0.000 2.093 159 L HA -0.030 4.299 4.340 -0.018 0.000 0.208 159 L C 2.658 179.527 176.870 -0.001 0.000 1.085 159 L CA 0.837 55.676 54.840 -0.001 0.000 0.755 159 L CB -0.324 41.736 42.059 0.001 0.000 0.904 159 L HN 0.244 nan 8.230 nan 0.000 0.435 160 L N -0.491 120.731 121.223 -0.002 0.000 2.275 160 L HA -0.151 4.178 4.340 -0.018 0.000 0.215 160 L C 1.619 178.487 176.870 -0.004 0.000 1.119 160 L CA 1.193 56.031 54.840 -0.003 0.000 0.790 160 L CB -0.428 41.628 42.059 -0.004 0.000 0.919 160 L HN 0.385 nan 8.230 nan 0.000 0.443 161 N N -1.129 117.568 118.700 -0.005 0.000 2.412 161 N HA -0.060 4.669 4.740 -0.018 0.000 0.184 161 N C 0.366 175.873 175.510 -0.004 0.000 1.101 161 N CA -0.261 52.786 53.050 -0.005 0.000 0.881 161 N CB 0.273 38.756 38.487 -0.007 0.000 0.969 161 N HN 0.196 nan 8.380 nan 0.000 0.459 162 D N 1.058 121.456 120.400 -0.003 0.000 2.443 162 D HA -0.047 4.582 4.640 -0.018 0.000 0.239 162 D C 1.111 177.410 176.300 -0.002 0.000 1.136 162 D CA 0.411 54.410 54.000 -0.002 0.000 0.879 162 D CB 0.962 41.761 40.800 -0.001 0.000 1.195 162 D HN 0.378 nan 8.370 nan 0.000 0.443 163 E N 3.035 123.233 120.200 -0.002 0.000 2.274 163 E HA -0.138 4.201 4.350 -0.018 0.000 0.194 163 E C 0.720 177.319 176.600 -0.002 0.000 0.996 163 E CA 0.607 57.005 56.400 -0.002 0.000 0.840 163 E CB -0.140 29.558 29.700 -0.002 0.000 0.772 163 E HN 0.542 nan 8.360 nan 0.000 0.491 164 D N 0.262 120.662 120.400 -0.001 0.000 2.339 164 D HA 0.026 4.655 4.640 -0.018 0.000 0.256 164 D C 0.645 176.945 176.300 -0.000 0.000 1.214 164 D CA -0.220 53.780 54.000 -0.000 0.000 0.877 164 D CB 1.191 41.991 40.800 0.000 0.000 1.111 164 D HN 0.096 nan 8.370 nan 0.000 0.478 165 Q N 2.754 122.554 119.800 -0.000 0.000 2.230 165 Q HA -0.058 4.272 4.340 -0.018 0.000 0.202 165 Q C 2.032 178.032 176.000 0.001 0.000 0.963 165 Q CA 0.611 56.414 55.803 -0.000 0.000 0.866 165 Q CB -0.022 28.715 28.738 -0.001 0.000 0.931 165 Q HN 0.454 nan 8.270 nan 0.000 0.452 166 V N 0.287 120.202 119.914 0.002 0.000 2.515 166 V HA -0.178 3.931 4.120 -0.018 0.000 0.250 166 V C 2.365 178.462 176.094 0.004 0.000 1.058 166 V CA 1.148 63.450 62.300 0.003 0.000 1.064 166 V CB -0.443 31.382 31.823 0.003 0.000 0.675 166 V HN 0.090 nan 8.190 nan 0.000 0.461 167 V N -0.437 119.479 119.914 0.003 0.000 2.379 167 V HA -0.175 3.934 4.120 -0.018 0.000 0.245 167 V C 2.403 178.499 176.094 0.004 0.000 1.044 167 V CA 1.663 63.965 62.300 0.004 0.000 1.036 167 V CB -0.215 31.610 31.823 0.002 0.000 0.664 167 V HN 0.406 nan 8.190 nan 0.000 0.453 168 V N 0.825 120.741 119.914 0.003 0.000 2.343 168 V HA -0.305 3.804 4.120 -0.018 0.000 0.247 168 V C 2.093 178.189 176.094 0.005 0.000 1.051 168 V CA 2.512 64.813 62.300 0.002 0.000 1.036 168 V CB -1.090 30.733 31.823 -0.000 0.000 0.654 168 V HN 0.644 nan 8.190 nan 0.000 0.451 169 N N -0.044 118.660 118.700 0.005 0.000 2.069 169 N HA -0.187 4.542 4.740 -0.018 0.000 0.191 169 N C 1.844 177.362 175.510 0.014 0.000 1.031 169 N CA 1.098 54.153 53.050 0.008 0.000 0.852 169 N CB -0.149 38.342 38.487 0.008 0.000 1.018 169 N HN 0.364 nan 8.380 nan 0.000 0.423 170 K N 1.136 121.544 120.400 0.013 0.000 2.097 170 K HA -0.000 4.309 4.320 -0.018 0.000 0.205 170 K C 2.029 178.640 176.600 0.019 0.000 1.050 170 K CA 0.781 57.078 56.287 0.017 0.000 0.938 170 K CB -0.462 32.046 32.500 0.013 0.000 0.718 170 K HN 0.167 nan 8.250 nan 0.000 0.442 171 A N 1.481 124.309 122.820 0.014 0.000 1.930 171 A HA -0.035 4.274 4.320 -0.018 0.000 0.217 171 A C 2.413 180.009 177.584 0.021 0.000 1.175 171 A CA 1.838 53.884 52.037 0.014 0.000 0.627 171 A CB -0.525 18.480 19.000 0.008 0.000 0.815 171 A HN 0.279 nan 8.150 nan 0.000 0.443 172 A N -0.378 122.453 122.820 0.019 0.000 1.902 172 A HA -0.028 4.281 4.320 -0.018 0.000 0.217 172 A C 2.213 179.828 177.584 0.052 0.000 1.181 172 A CA 1.855 53.905 52.037 0.022 0.000 0.623 172 A CB -0.937 18.068 19.000 0.007 0.000 0.818 172 A HN 0.403 nan 8.150 nan 0.000 0.443 173 V N -0.307 119.641 119.914 0.057 0.000 2.343 173 V HA -0.326 3.784 4.120 -0.018 0.000 0.247 173 V C 2.620 178.764 176.094 0.085 0.000 1.051 173 V CA 2.291 64.644 62.300 0.088 0.000 1.036 173 V CB -0.735 31.127 31.823 0.064 0.000 0.654 173 V HN 0.574 nan 8.190 nan 0.000 0.451 174 M N -0.581 119.050 119.600 0.051 0.000 2.117 174 M HA -0.157 4.312 4.480 -0.018 0.000 0.262 174 M C 2.216 178.540 176.300 0.041 0.000 1.065 174 M CA 1.644 56.965 55.300 0.035 0.000 1.114 174 M CB -0.423 32.191 32.600 0.022 0.000 1.361 174 M HN 0.235 nan 8.290 nan 0.000 0.408 175 V N -0.599 119.345 119.914 0.049 0.000 2.332 175 V HA -0.344 3.765 4.120 -0.018 0.000 0.248 175 V C 2.287 178.436 176.094 0.091 0.000 1.055 175 V CA 2.189 64.519 62.300 0.049 0.000 1.038 175 V CB -1.125 30.719 31.823 0.036 0.000 0.651 175 V HN 0.567 nan 8.190 nan 0.000 0.450 176 H N 0.052 119.117 119.070 -0.008 0.000 2.321 176 H HA -0.216 4.329 4.556 -0.018 0.000 0.300 176 H C 2.451 177.784 175.328 0.007 0.000 1.087 176 H CA 1.958 58.001 56.048 -0.010 0.000 1.319 176 H CB 0.187 29.944 29.762 -0.007 0.000 1.379 176 H HN 0.518 nan 8.280 nan 0.000 0.501 177 Q N 1.312 121.077 119.800 -0.058 0.000 2.135 177 Q HA -0.101 4.228 4.340 -0.018 0.000 0.204 177 Q C 2.486 178.446 176.000 -0.066 0.000 0.981 177 Q CA 1.552 57.283 55.803 -0.119 0.000 0.856 177 Q CB -0.854 27.855 28.738 -0.049 0.000 0.902 177 Q HN 0.607 nan 8.270 nan 0.000 0.425 178 L N 1.198 122.410 121.223 -0.018 0.000 2.141 178 L HA -0.118 4.212 4.340 -0.018 0.000 0.209 178 L C 2.858 179.729 176.870 0.000 0.000 1.094 178 L CA 1.408 56.245 54.840 -0.005 0.000 0.763 178 L CB -0.231 41.830 42.059 0.005 0.000 0.908 178 L HN 0.645 nan 8.230 nan 0.000 0.437 179 S N -0.743 114.966 115.700 0.014 0.000 2.474 179 S HA -0.142 4.317 4.470 -0.018 0.000 0.235 179 S C 1.749 176.370 174.600 0.035 0.000 0.997 179 S CA 0.566 58.786 58.200 0.034 0.000 0.949 179 S CB -0.250 62.997 63.200 0.078 0.000 0.766 179 S HN 0.397 nan 8.310 nan 0.000 0.517 180 K N 1.171 121.568 120.400 -0.004 0.000 2.288 180 K HA 0.073 4.382 4.320 -0.018 0.000 0.201 180 K C 0.901 177.515 176.600 0.023 0.000 1.048 180 K CA 1.179 57.468 56.287 0.004 0.000 0.956 180 K CB -0.246 32.224 32.500 -0.050 0.000 0.746 180 K HN 0.555 nan 8.250 nan 0.000 0.461 181 K N 1.086 121.495 120.400 0.015 0.000 2.213 181 K HA 0.344 4.653 4.320 -0.018 0.000 0.270 181 K C 0.810 177.424 176.600 0.023 0.000 1.002 181 K CA 0.262 56.560 56.287 0.018 0.000 0.868 181 K CB 0.474 32.978 32.500 0.008 0.000 1.093 181 K HN 0.154 nan 8.250 nan 0.000 0.454 182 E N 1.376 121.595 120.200 0.031 0.000 2.114 182 E HA -0.150 4.189 4.350 -0.018 0.000 0.199 182 E C 2.338 178.944 176.600 0.011 0.000 1.008 182 E CA 2.423 58.839 56.400 0.026 0.000 0.810 182 E CB -0.826 28.898 29.700 0.040 0.000 0.739 182 E HN 1.202 nan 8.360 nan 0.000 0.456 183 A N 0.575 123.403 122.820 0.014 0.000 1.865 183 A HA 0.113 4.422 4.320 -0.018 0.000 0.217 183 A C 2.925 180.526 177.584 0.028 0.000 1.191 183 A CA 3.117 55.165 52.037 0.018 0.000 0.623 183 A CB -0.999 18.008 19.000 0.012 0.000 0.826 183 A HN 1.024 nan 8.150 nan 0.000 0.444 184 S N -0.599 115.110 115.700 0.016 0.000 2.453 184 S HA -0.067 4.392 4.470 -0.018 0.000 0.231 184 S C 2.058 176.659 174.600 0.001 0.000 1.005 184 S CA 1.044 59.250 58.200 0.010 0.000 0.949 184 S CB -0.288 62.915 63.200 0.005 0.000 0.774 184 S HN 0.569 nan 8.310 nan 0.000 0.510 185 R N -0.329 120.169 120.500 -0.004 0.000 2.070 185 R HA -0.123 4.206 4.340 -0.018 0.000 0.232 185 R C 2.251 178.522 176.300 -0.047 0.000 1.138 185 R CA 1.668 57.745 56.100 -0.039 0.000 0.936 185 R CB -0.627 29.621 30.300 -0.087 0.000 0.839 185 R HN 0.689 nan 8.270 nan 0.000 0.429 186 H N 0.666 119.663 119.070 -0.122 0.000 2.353 186 H HA -0.105 4.440 4.556 -0.018 0.000 0.298 186 H C 1.795 177.085 175.328 -0.063 0.000 1.103 186 H CA 1.931 57.916 56.048 -0.104 0.000 1.293 186 H CB -0.174 29.540 29.762 -0.081 0.000 1.372 186 H HN 0.311 nan 8.280 nan 0.000 0.501 187 A N 0.274 123.055 122.820 -0.064 0.000 1.933 187 A HA -0.107 4.202 4.320 -0.018 0.000 0.218 187 A C 2.589 180.104 177.584 -0.115 0.000 1.175 187 A CA 1.647 53.626 52.037 -0.097 0.000 0.628 187 A CB -0.679 18.307 19.000 -0.024 0.000 0.814 187 A HN 0.519 nan 8.150 nan 0.000 0.444 188 I N -0.948 119.570 120.570 -0.087 0.000 2.233 188 I HA -0.249 3.911 4.170 -0.018 0.000 0.243 188 I C 2.670 178.730 176.117 -0.095 0.000 1.093 188 I CA 1.324 62.581 61.300 -0.071 0.000 1.380 188 I CB -0.340 37.634 38.000 -0.043 0.000 1.067 188 I HN 0.312 nan 8.210 nan 0.000 0.413 189 M N 0.421 119.948 119.600 -0.121 0.000 2.202 189 M HA -0.226 4.243 4.480 -0.018 0.000 0.262 189 M C 2.678 178.889 176.300 -0.147 0.000 1.063 189 M CA 2.028 57.257 55.300 -0.118 0.000 1.097 189 M CB -0.623 31.907 32.600 -0.117 0.000 1.382 189 M HN 0.280 nan 8.290 nan 0.000 0.413 190 R N 0.230 120.584 120.500 -0.243 0.000 2.313 190 R HA 0.149 4.478 4.340 -0.018 0.000 0.199 190 R C 0.710 176.934 176.300 -0.127 0.000 0.958 190 R CA 0.678 56.643 56.100 -0.225 0.000 1.047 190 R CB -0.991 29.090 30.300 -0.366 0.000 0.955 190 R HN 0.283 nan 8.270 nan 0.000 0.481 191 S N 1.632 117.271 115.700 -0.101 0.000 2.434 191 S HA 0.298 4.757 4.470 -0.018 0.000 0.318 191 S C -2.031 172.540 174.600 -0.049 0.000 1.062 191 S CA -1.244 56.917 58.200 -0.066 0.000 1.116 191 S CB 1.877 65.043 63.200 -0.056 0.000 0.977 191 S HN 0.184 nan 8.310 nan 0.000 0.480 192 P HA -0.155 nan 4.420 nan 0.000 0.216 192 P C 1.237 178.520 177.300 -0.029 0.000 1.153 192 P CA 1.127 64.207 63.100 -0.033 0.000 0.858 192 P CB 0.220 31.901 31.700 -0.030 0.000 0.789 193 Q N -1.915 117.869 119.800 -0.028 0.000 2.167 193 Q HA -0.112 4.217 4.340 -0.018 0.000 0.202 193 Q C 2.116 178.103 176.000 -0.022 0.000 0.970 193 Q CA 1.292 57.081 55.803 -0.023 0.000 0.855 193 Q CB -0.855 27.871 28.738 -0.021 0.000 0.911 193 Q HN 0.191 nan 8.270 nan 0.000 0.438 194 M N -0.424 119.161 119.600 -0.026 0.000 2.059 194 M HA -0.129 4.340 4.480 -0.018 0.000 0.259 194 M C 1.741 178.029 176.300 -0.021 0.000 1.072 194 M CA 1.510 56.796 55.300 -0.023 0.000 1.117 194 M CB -0.444 32.138 32.600 -0.029 0.000 1.320 194 M HN 0.044 nan 8.290 nan 0.000 0.408 195 V N 0.020 119.919 119.914 -0.024 0.000 2.287 195 V HA -0.293 3.816 4.120 -0.018 0.000 0.248 195 V C 2.337 178.421 176.094 -0.016 0.000 1.053 195 V CA 2.202 64.491 62.300 -0.019 0.000 1.027 195 V CB -1.336 30.476 31.823 -0.018 0.000 0.646 195 V HN 0.601 nan 8.190 nan 0.000 0.447 196 S N 0.399 116.088 115.700 -0.018 0.000 2.382 196 S HA -0.178 4.281 4.470 -0.018 0.000 0.228 196 S C 2.196 176.788 174.600 -0.014 0.000 1.027 196 S CA 1.420 59.610 58.200 -0.017 0.000 0.991 196 S CB -0.531 62.657 63.200 -0.021 0.000 0.823 196 S HN 0.672 nan 8.310 nan 0.000 0.469 197 A N 1.347 124.158 122.820 -0.015 0.000 1.930 197 A HA 0.032 4.341 4.320 -0.018 0.000 0.217 197 A C 2.071 179.648 177.584 -0.012 0.000 1.175 197 A CA 0.974 53.003 52.037 -0.012 0.000 0.627 197 A CB -0.633 18.360 19.000 -0.012 0.000 0.815 197 A HN 0.479 nan 8.150 nan 0.000 0.443 198 I N -0.544 120.018 120.570 -0.013 0.000 2.252 198 I HA -0.198 3.961 4.170 -0.018 0.000 0.245 198 I C 2.322 178.430 176.117 -0.015 0.000 1.102 198 I CA 1.046 62.336 61.300 -0.016 0.000 1.385 198 I CB -0.317 37.672 38.000 -0.018 0.000 1.064 198 I HN 0.142 nan 8.210 nan 0.000 0.414 199 V N 0.759 120.667 119.914 -0.010 0.000 2.343 199 V HA -0.268 3.841 4.120 -0.018 0.000 0.247 199 V C 2.576 178.667 176.094 -0.004 0.000 1.051 199 V CA 1.850 64.148 62.300 -0.004 0.000 1.036 199 V CB -0.712 31.110 31.823 -0.000 0.000 0.654 199 V HN 0.343 nan 8.190 nan 0.000 0.451 200 R N -0.272 120.224 120.500 -0.007 0.000 2.081 200 R HA -0.122 4.207 4.340 -0.018 0.000 0.235 200 R C 2.455 178.751 176.300 -0.006 0.000 1.131 200 R CA 1.998 58.094 56.100 -0.007 0.000 0.960 200 R CB -0.772 29.523 30.300 -0.008 0.000 0.856 200 R HN 0.501 nan 8.270 nan 0.000 0.436 201 T N 1.147 115.696 114.554 -0.008 0.000 2.708 201 T HA -0.209 4.130 4.350 -0.018 0.000 0.266 201 T C 1.702 176.396 174.700 -0.009 0.000 1.037 201 T CA 1.567 63.662 62.100 -0.009 0.000 1.146 201 T CB -0.175 68.687 68.868 -0.010 0.000 0.865 201 T HN 0.251 nan 8.240 nan 0.000 0.435 202 M N 1.514 121.108 119.600 -0.011 0.000 2.073 202 M HA -0.250 4.219 4.480 -0.018 0.000 0.258 202 M C 2.476 178.774 176.300 -0.003 0.000 1.070 202 M CA 1.916 57.210 55.300 -0.010 0.000 1.103 202 M CB -0.294 32.300 32.600 -0.010 0.000 1.321 202 M HN 0.345 nan 8.290 nan 0.000 0.405 203 Q N -1.363 118.437 119.800 0.000 0.000 2.435 203 Q HA -0.038 4.291 4.340 -0.018 0.000 0.207 203 Q C 0.835 176.835 176.000 0.000 0.000 0.956 203 Q CA 0.966 56.771 55.803 0.003 0.000 0.917 203 Q CB -0.214 28.528 28.738 0.007 0.000 0.997 203 Q HN 0.554 nan 8.270 nan 0.000 0.497 204 N N 0.575 119.274 118.700 -0.002 0.000 2.414 204 N HA 0.001 4.730 4.740 -0.018 0.000 0.177 204 N C 0.361 175.869 175.510 -0.004 0.000 1.062 204 N CA 0.555 53.603 53.050 -0.003 0.000 0.890 204 N CB 0.418 38.903 38.487 -0.004 0.000 1.070 204 N HN 0.159 nan 8.380 nan 0.000 0.454 205 T N 0.361 114.913 114.554 -0.005 0.000 2.903 205 T HA 0.107 4.446 4.350 -0.018 0.000 0.314 205 T C 0.850 175.546 174.700 -0.006 0.000 1.078 205 T CA 0.306 62.403 62.100 -0.005 0.000 1.114 205 T CB 0.385 69.249 68.868 -0.007 0.000 0.987 205 T HN 0.184 nan 8.240 nan 0.000 0.548 206 N N 1.340 120.036 118.700 -0.006 0.000 2.184 206 N HA 0.092 4.821 4.740 -0.018 0.000 0.206 206 N C -0.553 174.953 175.510 -0.007 0.000 1.151 206 N CA -0.267 52.779 53.050 -0.007 0.000 0.878 206 N CB 0.473 38.957 38.487 -0.006 0.000 1.014 206 N HN 0.605 nan 8.380 nan 0.000 0.512 207 D N 1.673 122.070 120.400 -0.006 0.000 2.280 207 D HA 0.032 4.661 4.640 -0.018 0.000 0.243 207 D C 1.645 177.941 176.300 -0.007 0.000 1.129 207 D CA -0.311 53.686 54.000 -0.005 0.000 0.848 207 D CB 2.013 42.811 40.800 -0.002 0.000 1.107 207 D HN -0.055 nan 8.370 nan 0.000 0.471 208 V N 2.147 122.056 119.914 -0.009 0.000 2.407 208 V HA -0.166 3.943 4.120 -0.018 0.000 0.248 208 V C 2.242 178.334 176.094 -0.004 0.000 1.055 208 V CA 2.139 64.432 62.300 -0.011 0.000 1.049 208 V CB -1.390 30.422 31.823 -0.017 0.000 0.662 208 V HN 0.593 nan 8.190 nan 0.000 0.455 209 E N 0.607 120.809 120.200 0.003 0.000 2.107 209 E HA -0.164 4.175 4.350 -0.018 0.000 0.191 209 E C 2.089 178.693 176.600 0.006 0.000 0.982 209 E CA 1.863 58.271 56.400 0.014 0.000 0.809 209 E CB -1.507 28.205 29.700 0.021 0.000 0.756 209 E HN 0.742 nan 8.360 nan 0.000 0.459 210 T N 0.111 114.665 114.554 -0.001 0.000 2.857 210 T HA 0.141 4.480 4.350 -0.018 0.000 0.266 210 T C 2.400 177.086 174.700 -0.023 0.000 1.048 210 T CA 1.273 63.367 62.100 -0.010 0.000 1.139 210 T CB -0.298 68.567 68.868 -0.006 0.000 0.874 210 T HN 0.574 nan 8.240 nan 0.000 0.455 211 A N 1.813 124.624 122.820 -0.015 0.000 1.877 211 A HA -0.103 4.206 4.320 -0.018 0.000 0.216 211 A C 2.304 179.880 177.584 -0.014 0.000 1.186 211 A CA 1.690 53.718 52.037 -0.014 0.000 0.620 211 A CB -0.581 18.414 19.000 -0.008 0.000 0.822 211 A HN 0.394 nan 8.150 nan 0.000 0.443 212 R N -0.691 119.810 120.500 0.001 0.000 2.073 212 R HA -0.166 4.163 4.340 -0.018 0.000 0.234 212 R C 2.216 178.450 176.300 -0.109 0.000 1.134 212 R CA 2.038 58.165 56.100 0.044 0.000 0.952 212 R CB -0.685 29.657 30.300 0.069 0.000 0.850 212 R HN 0.571 nan 8.270 nan 0.000 0.433 213 C N 0.016 119.215 119.300 -0.168 0.000 2.429 213 C HA -0.077 4.373 4.460 -0.018 0.000 0.277 213 C C 2.892 177.646 174.990 -0.393 0.000 1.262 213 C CA 1.475 60.263 59.018 -0.384 0.000 1.733 213 C CB -0.953 26.727 27.740 -0.101 0.000 2.010 213 C HN 0.731 nan 8.230 nan 0.000 0.483 214 T N 0.013 114.452 114.554 -0.192 0.000 2.857 214 T HA -0.011 4.328 4.350 -0.018 0.000 0.266 214 T C 1.943 176.541 174.700 -0.170 0.000 1.048 214 T CA 1.447 63.463 62.100 -0.139 0.000 1.139 214 T CB -0.449 68.379 68.868 -0.067 0.000 0.874 214 T HN 0.490 nan 8.240 nan 0.000 0.455 215 A N 1.837 124.554 122.820 -0.172 0.000 1.930 215 A HA 0.293 4.602 4.320 -0.018 0.000 0.217 215 A C 2.698 180.025 177.584 -0.430 0.000 1.175 215 A CA 1.500 53.451 52.037 -0.143 0.000 0.627 215 A CB -1.524 17.492 19.000 0.027 0.000 0.815 215 A HN 0.594 nan 8.150 nan 0.000 0.443 216 G N -1.250 107.014 108.800 -0.892 0.000 2.422 216 G HA2 -0.095 3.855 3.960 -0.018 0.000 0.218 216 G HA3 -0.095 3.855 3.960 -0.018 0.000 0.218 216 G C 1.528 176.137 174.900 -0.485 0.000 1.140 216 G CA 1.571 45.816 45.100 -1.425 0.000 0.775 216 G HN 0.422 nan 8.290 nan 0.000 0.545 217 T N 1.461 115.828 114.554 -0.313 0.000 2.708 217 T HA -0.028 4.311 4.350 -0.018 0.000 0.266 217 T C 2.420 177.085 174.700 -0.058 0.000 1.037 217 T CA 0.842 62.913 62.100 -0.049 0.000 1.146 217 T CB -0.211 68.638 68.868 -0.033 0.000 0.865 217 T HN 0.148 nan 8.240 nan 0.000 0.435 218 L N 0.201 121.374 121.223 -0.084 0.000 2.046 218 L HA -0.138 4.191 4.340 -0.018 0.000 0.208 218 L C 2.592 179.434 176.870 -0.047 0.000 1.077 218 L CA 1.673 56.488 54.840 -0.043 0.000 0.747 218 L CB -0.671 41.379 42.059 -0.016 0.000 0.896 218 L HN 0.361 nan 8.230 nan 0.000 0.432 219 H N 0.721 119.710 119.070 -0.135 0.000 2.352 219 H HA -0.156 4.389 4.556 -0.018 0.000 0.299 219 H C 2.097 177.298 175.328 -0.211 0.000 1.097 219 H CA 1.910 57.892 56.048 -0.110 0.000 1.311 219 H CB 0.010 29.765 29.762 -0.012 0.000 1.377 219 H HN 0.203 nan 8.280 nan 0.000 0.504 220 N N 0.163 118.742 118.700 -0.201 0.000 2.289 220 N HA -0.101 4.628 4.740 -0.018 0.000 0.184 220 N C 1.865 177.314 175.510 -0.102 0.000 1.016 220 N CA 1.140 54.121 53.050 -0.116 0.000 0.872 220 N CB -0.134 38.410 38.487 0.095 0.000 0.973 220 N HN 0.440 nan 8.380 nan 0.000 0.433 221 L N 0.494 121.657 121.223 -0.101 0.000 2.341 221 L HA 0.022 4.351 4.340 -0.018 0.000 0.214 221 L C 1.909 178.769 176.870 -0.016 0.000 1.115 221 L CA 0.549 55.377 54.840 -0.019 0.000 0.820 221 L CB -0.392 41.653 42.059 -0.024 0.000 0.944 221 L HN 0.135 nan 8.230 nan 0.000 0.452 222 S N -1.848 113.724 115.700 -0.212 0.000 2.603 222 S HA -0.104 4.355 4.470 -0.018 0.000 0.229 222 S C 1.473 175.950 174.600 -0.205 0.000 0.972 222 S CA 0.302 58.388 58.200 -0.189 0.000 0.935 222 S CB -0.533 62.553 63.200 -0.190 0.000 0.769 222 S HN 0.458 nan 8.310 nan 0.000 0.536 223 H N 0.731 119.780 119.070 -0.036 0.000 2.539 223 H HA 0.278 4.823 4.556 -0.018 0.000 0.267 223 H C -0.304 174.732 175.328 -0.487 0.000 0.982 223 H CA 0.402 56.292 56.048 -0.262 0.000 1.146 223 H CB -0.100 29.444 29.762 -0.364 0.000 1.382 223 H HN 0.631 nan 8.280 nan 0.000 0.577 224 H N -1.933 117.153 119.070 0.026 0.000 2.637 224 H HA 0.436 4.981 4.556 -0.018 0.000 0.363 224 H C 1.476 176.801 175.328 -0.006 0.000 1.131 224 H CA 0.102 56.156 56.048 0.010 0.000 1.183 224 H CB 1.206 30.991 29.762 0.037 0.000 1.637 224 H HN 0.041 nan 8.280 nan 0.000 0.531 225 R N 1.699 122.253 120.500 0.089 0.000 2.096 225 R HA -0.197 4.132 4.340 -0.018 0.000 0.240 225 R C 1.828 178.177 176.300 0.082 0.000 1.139 225 R CA 2.413 58.548 56.100 0.057 0.000 0.952 225 R CB -1.310 29.013 30.300 0.038 0.000 0.854 225 R HN 0.883 nan 8.270 nan 0.000 0.436 226 E N -0.419 119.843 120.200 0.103 0.000 2.110 226 E HA -0.098 4.241 4.350 -0.018 0.000 0.193 226 E C 2.321 178.960 176.600 0.065 0.000 0.988 226 E CA 1.041 57.489 56.400 0.080 0.000 0.804 226 E CB -0.464 29.288 29.700 0.086 0.000 0.745 226 E HN 0.598 nan 8.360 nan 0.000 0.458 227 G N 1.100 109.949 108.800 0.083 0.000 2.404 227 G HA2 -0.214 3.735 3.960 -0.018 0.000 0.215 227 G HA3 -0.214 3.735 3.960 -0.018 0.000 0.215 227 G C 1.577 176.513 174.900 0.060 0.000 1.174 227 G CA 0.554 45.688 45.100 0.057 0.000 0.780 227 G HN 0.189 nan 8.290 nan 0.000 0.537 228 L N -0.349 120.915 121.223 0.069 0.000 2.042 228 L HA -0.086 4.243 4.340 -0.018 0.000 0.210 228 L C 2.738 179.675 176.870 0.112 0.000 1.076 228 L CA 0.637 55.517 54.840 0.067 0.000 0.749 228 L CB -0.466 41.621 42.059 0.047 0.000 0.893 228 L HN 0.211 nan 8.230 nan 0.000 0.432 229 L N 0.108 121.399 121.223 0.114 0.000 2.017 229 L HA -0.157 4.172 4.340 -0.018 0.000 0.208 229 L C 2.668 179.632 176.870 0.157 0.000 1.073 229 L CA 2.056 56.997 54.840 0.168 0.000 0.745 229 L CB -0.745 41.386 42.059 0.120 0.000 0.894 229 L HN 0.158 nan 8.230 nan 0.000 0.432 230 A N -0.384 122.488 122.820 0.087 0.000 1.902 230 A HA -0.204 4.106 4.320 -0.018 0.000 0.217 230 A C 2.281 179.900 177.584 0.058 0.000 1.181 230 A CA 2.138 54.203 52.037 0.048 0.000 0.623 230 A CB -0.890 18.118 19.000 0.015 0.000 0.818 230 A HN 0.502 nan 8.150 nan 0.000 0.443 231 I N -1.847 118.773 120.570 0.082 0.000 2.179 231 I HA -0.254 3.905 4.170 -0.018 0.000 0.242 231 I C 2.400 178.604 176.117 0.145 0.000 1.088 231 I CA 1.774 63.127 61.300 0.088 0.000 1.357 231 I CB -0.382 37.670 38.000 0.086 0.000 1.051 231 I HN 0.514 nan 8.210 nan 0.000 0.409 232 F N 2.051 122.005 119.950 0.007 0.000 2.069 232 F HA -0.258 4.258 4.527 -0.018 0.000 0.298 232 F C 2.429 178.231 175.800 0.004 0.000 1.113 232 F CA 1.440 59.445 58.000 0.008 0.000 1.214 232 F CB 0.008 39.015 39.000 0.011 0.000 0.978 232 F HN -0.129 nan 8.300 nan 0.000 0.474 233 K N 0.064 120.390 120.400 -0.125 0.000 2.365 233 K HA 0.005 4.314 4.320 -0.018 0.000 0.199 233 K C 1.471 177.981 176.600 -0.150 0.000 1.045 233 K CA 0.783 56.925 56.287 -0.241 0.000 0.962 233 K CB -0.304 32.128 32.500 -0.113 0.000 0.759 233 K HN 0.176 nan 8.250 nan 0.000 0.469 234 S N -0.061 115.594 115.700 -0.075 0.000 2.614 234 S HA 0.192 4.651 4.470 -0.018 0.000 0.230 234 S C 0.906 175.481 174.600 -0.042 0.000 0.952 234 S CA 0.354 58.525 58.200 -0.049 0.000 0.949 234 S CB 0.482 63.670 63.200 -0.021 0.000 0.786 234 S HN 0.505 nan 8.310 nan 0.000 0.478 235 G N 1.223 109.986 108.800 -0.062 0.000 2.147 235 G HA2 -0.253 3.697 3.960 -0.018 0.000 0.244 235 G HA3 -0.253 3.697 3.960 -0.018 0.000 0.244 235 G C 0.848 175.756 174.900 0.013 0.000 1.005 235 G CA 0.174 45.254 45.100 -0.034 0.000 0.713 235 G HN 0.615 nan 8.290 nan 0.000 0.515 236 G N 0.046 108.870 108.800 0.041 0.000 2.422 236 G HA2 0.006 3.955 3.960 -0.018 0.000 0.218 236 G HA3 0.006 3.955 3.960 -0.018 0.000 0.218 236 G C 1.770 176.720 174.900 0.083 0.000 1.140 236 G CA 1.230 46.368 45.100 0.064 0.000 0.775 236 G HN 0.612 nan 8.290 nan 0.000 0.545 237 I N 1.322 121.963 120.570 0.119 0.000 2.179 237 I HA -0.108 4.051 4.170 -0.018 0.000 0.242 237 I C -0.154 176.010 176.117 0.079 0.000 1.088 237 I CA 1.048 62.418 61.300 0.117 0.000 1.357 237 I CB -0.758 37.343 38.000 0.169 0.000 1.051 237 I HN 0.138 nan 8.210 nan 0.000 0.409 238 P HA -0.145 nan 4.420 nan 0.000 0.217 238 P C 1.432 178.756 177.300 0.039 0.000 1.150 238 P CA 1.662 64.789 63.100 0.044 0.000 0.832 238 P CB -0.002 31.716 31.700 0.029 0.000 0.787 239 A N -0.615 122.228 122.820 0.038 0.000 1.873 239 A HA -0.157 4.152 4.320 -0.018 0.000 0.215 239 A C 2.189 179.799 177.584 0.042 0.000 1.186 239 A CA 1.424 53.480 52.037 0.033 0.000 0.616 239 A CB -1.639 17.377 19.000 0.027 0.000 0.823 239 A HN 0.100 nan 8.150 nan 0.000 0.442 240 L N -0.522 120.734 121.223 0.056 0.000 2.046 240 L HA -0.156 4.173 4.340 -0.018 0.000 0.208 240 L C 2.520 179.432 176.870 0.070 0.000 1.077 240 L CA 0.998 55.879 54.840 0.070 0.000 0.747 240 L CB -0.515 41.595 42.059 0.085 0.000 0.896 240 L HN 0.241 nan 8.230 nan 0.000 0.432 241 V N 0.152 120.104 119.914 0.064 0.000 2.343 241 V HA -0.328 3.781 4.120 -0.018 0.000 0.247 241 V C 2.566 178.691 176.094 0.051 0.000 1.051 241 V CA 1.996 64.332 62.300 0.060 0.000 1.036 241 V CB -0.561 31.294 31.823 0.053 0.000 0.654 241 V HN 0.466 nan 8.190 nan 0.000 0.451 242 K N -0.411 120.014 120.400 0.041 0.000 2.097 242 K HA -0.191 4.118 4.320 -0.018 0.000 0.206 242 K C 2.089 178.708 176.600 0.031 0.000 1.049 242 K CA 1.466 57.772 56.287 0.031 0.000 0.933 242 K CB -0.115 32.399 32.500 0.024 0.000 0.717 242 K HN 0.240 nan 8.250 nan 0.000 0.442 243 M N 0.947 120.569 119.600 0.038 0.000 2.460 243 M HA -0.080 4.389 4.480 -0.018 0.000 0.263 243 M C 1.778 178.101 176.300 0.039 0.000 1.071 243 M CA 1.081 56.402 55.300 0.035 0.000 1.096 243 M CB -0.658 31.970 32.600 0.048 0.000 1.408 243 M HN 0.196 nan 8.290 nan 0.000 0.463 244 L N -0.757 120.502 121.223 0.059 0.000 2.456 244 L HA -0.075 4.254 4.340 -0.018 0.000 0.224 244 L C 2.062 178.961 176.870 0.049 0.000 1.148 244 L CA 0.638 55.526 54.840 0.079 0.000 0.825 244 L CB -0.836 41.283 42.059 0.101 0.000 0.937 244 L HN 0.372 nan 8.230 nan 0.000 0.450 245 G N -1.393 107.423 108.800 0.027 0.000 3.042 245 G HA2 -0.061 3.888 3.960 -0.018 0.000 0.212 245 G HA3 -0.061 3.888 3.960 -0.018 0.000 0.212 245 G C 0.652 175.544 174.900 -0.014 0.000 1.166 245 G CA -0.086 45.020 45.100 0.010 0.000 0.767 245 G HN 0.206 nan 8.290 nan 0.000 0.546 246 S N 1.418 117.103 115.700 -0.026 0.000 2.549 246 S HA 0.259 4.718 4.470 -0.018 0.000 0.283 246 S C -0.571 173.976 174.600 -0.088 0.000 1.320 246 S CA -0.935 57.234 58.200 -0.052 0.000 1.058 246 S CB 1.463 64.629 63.200 -0.056 0.000 0.882 246 S HN 0.128 nan 8.310 nan 0.000 0.498 247 P HA 0.089 nan 4.420 nan 0.000 0.249 247 P C 0.187 177.403 177.300 -0.140 0.000 1.229 247 P CA 0.186 63.226 63.100 -0.099 0.000 0.788 247 P CB 0.038 31.698 31.700 -0.068 0.000 1.072 248 V N 0.815 120.634 119.914 -0.158 0.000 2.394 248 V HA 0.232 4.341 4.120 -0.018 0.000 0.282 248 V C 0.983 176.870 176.094 -0.345 0.000 1.031 248 V CA -0.220 61.959 62.300 -0.202 0.000 0.881 248 V CB 1.036 32.776 31.823 -0.140 0.000 0.982 248 V HN -0.260 nan 8.190 nan 0.000 0.451 249 D N 3.360 123.475 120.400 -0.474 0.000 2.106 249 D HA -0.180 4.449 4.640 -0.018 0.000 0.191 249 D C 2.285 177.925 176.300 -1.101 0.000 0.997 249 D CA 2.184 55.614 54.000 -0.951 0.000 0.834 249 D CB -0.120 40.173 40.800 -0.844 0.000 0.956 249 D HN 0.856 nan 8.370 nan 0.000 0.448 250 S N 0.101 115.448 115.700 -0.589 0.000 2.374 250 S HA -0.179 4.280 4.470 -0.018 0.000 0.227 250 S C 2.251 176.629 174.600 -0.370 0.000 1.037 250 S CA 1.509 59.445 58.200 -0.441 0.000 1.024 250 S CB -0.834 62.225 63.200 -0.236 0.000 0.861 250 S HN 0.128 nan 8.310 nan 0.000 0.456 251 V N 2.097 121.887 119.914 -0.208 0.000 2.307 251 V HA -0.077 4.032 4.120 -0.018 0.000 0.245 251 V C 2.627 178.695 176.094 -0.042 0.000 1.045 251 V CA 1.755 64.039 62.300 -0.027 0.000 1.024 251 V CB -0.852 30.949 31.823 -0.036 0.000 0.651 251 V HN 0.462 nan 8.190 nan 0.000 0.449 252 L N -1.137 119.963 121.223 -0.205 0.000 2.042 252 L HA -0.177 4.152 4.340 -0.018 0.000 0.210 252 L C 2.534 179.486 176.870 0.135 0.000 1.076 252 L CA 1.628 56.404 54.840 -0.105 0.000 0.749 252 L CB -0.616 41.242 42.059 -0.336 0.000 0.893 252 L HN 0.265 nan 8.230 nan 0.000 0.432 253 F N -0.809 119.111 119.950 -0.050 0.000 2.134 253 F HA -0.213 4.303 4.527 -0.018 0.000 0.299 253 F C 2.462 178.242 175.800 -0.034 0.000 1.097 253 F CA 0.737 58.718 58.000 -0.033 0.000 1.264 253 F CB -1.442 37.447 39.000 -0.184 0.000 1.001 253 F HN 0.022 nan 8.300 nan 0.000 0.479 254 Y N -0.057 120.314 120.300 0.117 0.000 2.181 254 Y HA -0.204 4.335 4.550 -0.018 0.000 0.288 254 Y C 2.593 178.535 175.900 0.070 0.000 1.146 254 Y CA 0.734 58.829 58.100 -0.007 0.000 1.164 254 Y CB -0.550 37.914 38.460 0.008 0.000 0.982 254 Y HN 0.037 nan 8.280 nan 0.000 0.515 255 A N 0.095 123.074 122.820 0.265 0.000 1.858 255 A HA -0.225 4.085 4.320 -0.018 0.000 0.216 255 A C 2.111 179.815 177.584 0.200 0.000 1.190 255 A CA 1.848 54.005 52.037 0.200 0.000 0.617 255 A CB -0.977 18.117 19.000 0.156 0.000 0.827 255 A HN 0.444 nan 8.150 nan 0.000 0.443 256 I N 0.526 121.237 120.570 0.234 0.000 2.315 256 I HA -0.189 3.971 4.170 -0.018 0.000 0.248 256 I C 2.680 178.899 176.117 0.170 0.000 1.117 256 I CA 2.354 63.770 61.300 0.193 0.000 1.404 256 I CB -0.344 37.787 38.000 0.218 0.000 1.071 256 I HN 0.537 nan 8.210 nan 0.000 0.419 257 T N -3.617 111.048 114.554 0.185 0.000 2.821 257 T HA -0.129 4.210 4.350 -0.018 0.000 0.267 257 T C 1.845 176.726 174.700 0.302 0.000 1.046 257 T CA 1.809 64.031 62.100 0.203 0.000 1.139 257 T CB -1.102 67.843 68.868 0.128 0.000 0.871 257 T HN 0.276 nan 8.240 nan 0.000 0.454 258 T N 2.171 116.909 114.554 0.307 0.000 2.821 258 T HA 0.196 4.536 4.350 -0.018 0.000 0.267 258 T C 1.903 176.705 174.700 0.171 0.000 1.046 258 T CA 0.851 63.109 62.100 0.263 0.000 1.139 258 T CB -0.436 68.568 68.868 0.228 0.000 0.871 258 T HN 0.260 nan 8.240 nan 0.000 0.454 259 L N 0.074 121.392 121.223 0.160 0.000 2.046 259 L HA -0.116 4.213 4.340 -0.018 0.000 0.208 259 L C 2.574 179.504 176.870 0.101 0.000 1.077 259 L CA 1.471 56.378 54.840 0.111 0.000 0.747 259 L CB -0.496 41.625 42.059 0.105 0.000 0.896 259 L HN 0.320 nan 8.230 nan 0.000 0.432 260 H N 0.342 119.438 119.070 0.044 0.000 2.352 260 H HA -0.157 4.388 4.556 -0.018 0.000 0.299 260 H C 2.147 177.486 175.328 0.019 0.000 1.097 260 H CA 1.899 57.955 56.048 0.014 0.000 1.311 260 H CB 0.116 29.893 29.762 0.024 0.000 1.377 260 H HN 0.225 nan 8.280 nan 0.000 0.504 261 N N 0.113 118.887 118.700 0.123 0.000 2.120 261 N HA -0.125 4.604 4.740 -0.018 0.000 0.188 261 N C 2.102 177.635 175.510 0.039 0.000 1.024 261 N CA 1.191 54.310 53.050 0.114 0.000 0.852 261 N CB -0.334 38.249 38.487 0.161 0.000 1.003 261 N HN 0.379 nan 8.380 nan 0.000 0.424 262 L N 0.583 121.808 121.223 0.003 0.000 2.017 262 L HA -0.097 4.232 4.340 -0.018 0.000 0.208 262 L C 2.216 178.998 176.870 -0.146 0.000 1.073 262 L CA 0.810 55.616 54.840 -0.057 0.000 0.745 262 L CB -0.442 41.593 42.059 -0.040 0.000 0.894 262 L HN 0.117 nan 8.230 nan 0.000 0.432 263 L N -0.694 120.431 121.223 -0.164 0.000 2.083 263 L HA -0.234 4.095 4.340 -0.018 0.000 0.209 263 L C 2.443 179.128 176.870 -0.309 0.000 1.083 263 L CA 1.140 55.851 54.840 -0.215 0.000 0.752 263 L CB -0.379 41.566 42.059 -0.191 0.000 0.899 263 L HN 0.294 nan 8.230 nan 0.000 0.433 264 L N -1.342 119.616 121.223 -0.443 0.000 2.095 264 L HA -0.156 4.173 4.340 -0.018 0.000 0.204 264 L C 1.799 178.247 176.870 -0.704 0.000 1.080 264 L CA 1.236 55.675 54.840 -0.667 0.000 0.759 264 L CB -0.287 41.190 42.059 -0.970 0.000 0.914 264 L HN 0.373 nan 8.230 nan 0.000 0.439 265 H N -3.305 115.686 119.070 -0.132 0.000 2.893 265 H HA 0.165 4.710 4.556 -0.018 0.000 0.270 265 H C 0.106 175.364 175.328 -0.117 0.000 1.095 265 H CA -0.322 55.664 56.048 -0.103 0.000 1.186 265 H CB 0.541 30.262 29.762 -0.069 0.000 1.562 265 H HN 0.028 nan 8.280 nan 0.000 0.536 266 Q N 2.122 121.865 119.800 -0.095 0.000 2.372 266 Q HA 0.172 4.501 4.340 -0.018 0.000 0.259 266 Q C -0.722 175.105 176.000 -0.289 0.000 0.993 266 Q CA -0.839 54.846 55.803 -0.198 0.000 0.854 266 Q CB 0.960 29.511 28.738 -0.312 0.000 1.231 266 Q HN 0.149 nan 8.270 nan 0.000 0.462 267 E N 2.892 122.975 120.200 -0.195 0.000 2.480 267 E HA 0.317 4.656 4.350 -0.018 0.000 0.258 267 E C 0.755 177.207 176.600 -0.247 0.000 0.984 267 E CA 1.708 58.016 56.400 -0.154 0.000 0.930 267 E CB -0.043 29.625 29.700 -0.053 0.000 0.936 267 E HN 0.806 nan 8.360 nan 0.000 0.466 268 G N 2.935 111.621 108.800 -0.190 0.000 2.194 268 G HA2 -0.313 3.636 3.960 -0.018 0.000 0.236 268 G HA3 -0.313 3.636 3.960 -0.018 0.000 0.236 268 G C 1.056 175.810 174.900 -0.243 0.000 0.987 268 G CA 0.429 45.461 45.100 -0.114 0.000 0.635 268 G HN 0.867 nan 8.290 nan 0.000 0.520 269 A N 0.441 122.994 122.820 -0.446 0.000 1.898 269 A HA 0.166 4.475 4.320 -0.018 0.000 0.216 269 A C 2.181 179.696 177.584 -0.115 0.000 1.181 269 A CA 2.209 54.047 52.037 -0.333 0.000 0.620 269 A CB -0.396 18.401 19.000 -0.338 0.000 0.819 269 A HN 0.495 nan 8.150 nan 0.000 0.442 270 K N -1.406 118.933 120.400 -0.103 0.000 2.009 270 K HA -0.194 4.115 4.320 -0.018 0.000 0.210 270 K C 2.077 178.671 176.600 -0.010 0.000 1.049 270 K CA 1.767 58.023 56.287 -0.052 0.000 0.929 270 K CB -0.329 32.140 32.500 -0.052 0.000 0.714 270 K HN 0.409 nan 8.250 nan 0.000 0.440 271 M N 1.169 120.772 119.600 0.005 0.000 2.080 271 M HA -0.148 4.321 4.480 -0.018 0.000 0.260 271 M C 2.073 178.408 176.300 0.058 0.000 1.068 271 M CA 1.720 57.041 55.300 0.034 0.000 1.109 271 M CB -0.489 32.139 32.600 0.047 0.000 1.342 271 M HN 0.195 nan 8.290 nan 0.000 0.405 272 A N -1.222 121.656 122.820 0.097 0.000 1.902 272 A HA -0.115 4.194 4.320 -0.018 0.000 0.217 272 A C 2.197 179.832 177.584 0.086 0.000 1.181 272 A CA 2.029 54.146 52.037 0.133 0.000 0.623 272 A CB -1.224 17.943 19.000 0.279 0.000 0.818 272 A HN 0.373 nan 8.150 nan 0.000 0.443 273 V N -0.094 119.856 119.914 0.060 0.000 2.358 273 V HA -0.264 3.845 4.120 -0.018 0.000 0.246 273 V C 2.630 178.745 176.094 0.036 0.000 1.047 273 V CA 2.223 64.550 62.300 0.044 0.000 1.035 273 V CB -0.834 31.004 31.823 0.025 0.000 0.658 273 V HN 0.531 nan 8.190 nan 0.000 0.452 274 R N -0.224 120.293 120.500 0.028 0.000 2.083 274 R HA -0.118 4.211 4.340 -0.018 0.000 0.237 274 R C 2.313 178.629 176.300 0.027 0.000 1.137 274 R CA 1.542 57.656 56.100 0.023 0.000 0.951 274 R CB -0.508 29.802 30.300 0.018 0.000 0.851 274 R HN 0.399 nan 8.270 nan 0.000 0.434 275 L N 0.146 121.389 121.223 0.033 0.000 2.046 275 L HA -0.143 4.186 4.340 -0.018 0.000 0.208 275 L C 2.518 179.406 176.870 0.031 0.000 1.077 275 L CA 1.187 56.045 54.840 0.031 0.000 0.747 275 L CB -0.543 41.538 42.059 0.036 0.000 0.896 275 L HN 0.272 nan 8.230 nan 0.000 0.432 276 A N -0.353 122.489 122.820 0.038 0.000 2.216 276 A HA 0.134 4.443 4.320 -0.018 0.000 0.214 276 A C 1.727 179.330 177.584 0.032 0.000 1.160 276 A CA 0.968 53.027 52.037 0.036 0.000 0.725 276 A CB -0.628 18.400 19.000 0.047 0.000 0.784 276 A HN 0.592 nan 8.150 nan 0.000 0.472 277 G N -2.472 106.346 108.800 0.029 0.000 2.132 277 G HA2 -0.114 3.835 3.960 -0.018 0.000 0.228 277 G HA3 -0.114 3.835 3.960 -0.018 0.000 0.228 277 G C 1.144 176.062 174.900 0.030 0.000 1.000 277 G CA 0.605 45.721 45.100 0.027 0.000 0.693 277 G HN 1.214 nan 8.290 nan 0.000 0.515 278 G N 0.254 109.074 108.800 0.033 0.000 2.418 278 G HA2 -0.031 3.918 3.960 -0.018 0.000 0.217 278 G HA3 -0.031 3.918 3.960 -0.018 0.000 0.217 278 G C 1.856 176.775 174.900 0.031 0.000 1.158 278 G CA 1.273 46.395 45.100 0.036 0.000 0.771 278 G HN 0.635 nan 8.290 nan 0.000 0.545 279 L N -0.164 121.073 121.223 0.023 0.000 2.013 279 L HA -0.220 4.109 4.340 -0.018 0.000 0.212 279 L C 3.226 180.109 176.870 0.022 0.000 1.073 279 L CA 1.656 56.507 54.840 0.018 0.000 0.753 279 L CB -0.460 41.606 42.059 0.012 0.000 0.890 279 L HN 0.215 nan 8.230 nan 0.000 0.432 280 Q N -0.371 119.443 119.800 0.023 0.000 2.084 280 Q HA -0.179 4.150 4.340 -0.018 0.000 0.202 280 Q C 2.252 178.272 176.000 0.034 0.000 0.978 280 Q CA 1.298 57.117 55.803 0.026 0.000 0.844 280 Q CB -0.119 28.633 28.738 0.023 0.000 0.898 280 Q HN 0.223 nan 8.270 nan 0.000 0.426 281 K N 0.109 120.533 120.400 0.040 0.000 2.057 281 K HA -0.056 4.254 4.320 -0.018 0.000 0.207 281 K C 2.053 178.693 176.600 0.067 0.000 1.049 281 K CA 1.338 57.657 56.287 0.053 0.000 0.931 281 K CB -0.275 32.258 32.500 0.056 0.000 0.714 281 K HN 0.332 nan 8.250 nan 0.000 0.440 282 M N 0.392 120.026 119.600 0.056 0.000 2.086 282 M HA -0.161 4.308 4.480 -0.018 0.000 0.261 282 M C 2.270 178.598 176.300 0.048 0.000 1.067 282 M CA 1.279 56.608 55.300 0.050 0.000 1.116 282 M CB -0.378 32.232 32.600 0.016 0.000 1.348 282 M HN -0.165 nan 8.290 nan 0.000 0.407 283 V N 0.457 120.393 119.914 0.037 0.000 2.332 283 V HA -0.270 3.839 4.120 -0.018 0.000 0.248 283 V C 2.612 178.739 176.094 0.056 0.000 1.055 283 V CA 1.989 64.312 62.300 0.037 0.000 1.038 283 V CB -1.322 30.518 31.823 0.028 0.000 0.651 283 V HN 0.546 nan 8.190 nan 0.000 0.450 284 A N -0.428 122.428 122.820 0.059 0.000 2.024 284 A HA -0.131 4.178 4.320 -0.018 0.000 0.220 284 A C 2.109 179.749 177.584 0.092 0.000 1.164 284 A CA 1.591 53.667 52.037 0.064 0.000 0.643 284 A CB -0.509 18.523 19.000 0.054 0.000 0.806 284 A HN 0.545 nan 8.150 nan 0.000 0.451 285 L N -0.464 120.838 121.223 0.131 0.000 2.554 285 L HA 0.068 4.397 4.340 -0.018 0.000 0.226 285 L C 1.623 178.645 176.870 0.254 0.000 1.137 285 L CA -0.003 54.970 54.840 0.222 0.000 0.863 285 L CB -0.176 42.103 42.059 0.368 0.000 0.985 285 L HN 0.346 nan 8.230 nan 0.000 0.451 286 L N 0.299 121.615 121.223 0.156 0.000 2.633 286 L HA -0.136 4.193 4.340 -0.018 0.000 0.235 286 L C 1.728 178.690 176.870 0.155 0.000 1.163 286 L CA 0.977 55.899 54.840 0.137 0.000 0.859 286 L CB -0.632 41.477 42.059 0.083 0.000 0.973 286 L HN 0.596 nan 8.230 nan 0.000 0.451 287 N N -1.604 117.182 118.700 0.144 0.000 2.336 287 N HA -0.010 4.719 4.740 -0.018 0.000 0.189 287 N C 0.533 176.127 175.510 0.139 0.000 1.113 287 N CA -0.361 52.766 53.050 0.129 0.000 0.858 287 N CB 0.349 38.889 38.487 0.088 0.000 0.970 287 N HN 0.043 nan 8.380 nan 0.000 0.471 288 K N 1.118 121.620 120.400 0.170 0.000 2.230 288 K HA 0.034 4.344 4.320 -0.018 0.000 0.253 288 K C 1.130 177.829 176.600 0.165 0.000 1.008 288 K CA 0.348 56.716 56.287 0.136 0.000 0.910 288 K CB 1.117 33.703 32.500 0.143 0.000 0.994 288 K HN 0.250 nan 8.250 nan 0.000 0.495 289 T N -3.086 111.541 114.554 0.121 0.000 3.044 289 T HA 0.024 4.363 4.350 -0.018 0.000 0.260 289 T C 0.506 175.222 174.700 0.027 0.000 1.019 289 T CA -0.370 61.812 62.100 0.137 0.000 0.921 289 T CB 0.022 68.989 68.868 0.165 0.000 1.053 289 T HN 0.346 nan 8.240 nan 0.000 0.533 290 N N 2.847 121.569 118.700 0.036 0.000 2.399 290 N HA 0.069 4.798 4.740 -0.018 0.000 0.259 290 N C 1.660 177.112 175.510 -0.097 0.000 1.160 290 N CA 0.140 53.175 53.050 -0.024 0.000 0.946 290 N CB 1.689 40.189 38.487 0.022 0.000 1.156 290 N HN 0.250 nan 8.380 nan 0.000 0.489 291 V N 2.856 122.613 119.914 -0.261 0.000 2.469 291 V HA -0.193 3.916 4.120 -0.018 0.000 0.251 291 V C 1.922 177.905 176.094 -0.184 0.000 1.064 291 V CA 1.388 63.488 62.300 -0.333 0.000 1.066 291 V CB -0.490 31.082 31.823 -0.418 0.000 0.667 291 V HN 0.504 nan 8.190 nan 0.000 0.461 292 K N -0.061 120.202 120.400 -0.228 0.000 2.062 292 K HA 0.004 4.313 4.320 -0.018 0.000 0.205 292 K C 2.005 178.534 176.600 -0.119 0.000 1.051 292 K CA 1.711 57.915 56.287 -0.138 0.000 0.941 292 K CB -0.395 31.979 32.500 -0.211 0.000 0.719 292 K HN 0.576 nan 8.250 nan 0.000 0.440 293 F N 1.901 121.684 119.950 -0.278 0.000 2.102 293 F HA -0.168 4.348 4.527 -0.018 0.000 0.298 293 F C 1.727 177.465 175.800 -0.102 0.000 1.105 293 F CA 1.276 59.147 58.000 -0.214 0.000 1.239 293 F CB -0.147 38.769 39.000 -0.140 0.000 0.991 293 F HN -0.120 nan 8.300 nan 0.000 0.474 294 L N 0.196 121.328 121.223 -0.152 0.000 2.127 294 L HA -0.216 4.113 4.340 -0.018 0.000 0.211 294 L C 2.814 179.545 176.870 -0.230 0.000 1.089 294 L CA 1.084 55.789 54.840 -0.225 0.000 0.757 294 L CB -1.154 40.838 42.059 -0.112 0.000 0.899 294 L HN 0.327 nan 8.230 nan 0.000 0.434 295 A N 0.221 122.952 122.820 -0.149 0.000 1.930 295 A HA -0.138 4.171 4.320 -0.018 0.000 0.217 295 A C 2.174 179.637 177.584 -0.201 0.000 1.175 295 A CA 1.356 53.330 52.037 -0.105 0.000 0.627 295 A CB -0.507 18.510 19.000 0.027 0.000 0.815 295 A HN 0.360 nan 8.150 nan 0.000 0.443 296 I N -0.708 119.691 120.570 -0.285 0.000 2.353 296 I HA -0.165 3.994 4.170 -0.018 0.000 0.248 296 I C 2.495 178.409 176.117 -0.338 0.000 1.119 296 I CA 1.515 62.589 61.300 -0.377 0.000 1.417 296 I CB -0.510 37.276 38.000 -0.357 0.000 1.078 296 I HN 0.215 nan 8.210 nan 0.000 0.421 297 T N 0.172 114.461 114.554 -0.442 0.000 2.737 297 T HA -0.166 4.173 4.350 -0.018 0.000 0.265 297 T C 2.018 176.594 174.700 -0.206 0.000 1.038 297 T CA 2.167 64.038 62.100 -0.381 0.000 1.144 297 T CB -0.505 67.996 68.868 -0.611 0.000 0.866 297 T HN 0.536 nan 8.240 nan 0.000 0.434 298 T N 0.372 114.809 114.554 -0.194 0.000 2.833 298 T HA -0.136 4.203 4.350 -0.018 0.000 0.269 298 T C 1.704 176.333 174.700 -0.118 0.000 1.054 298 T CA 1.602 63.625 62.100 -0.129 0.000 1.135 298 T CB -0.508 68.290 68.868 -0.117 0.000 0.869 298 T HN 0.279 nan 8.240 nan 0.000 0.466 299 D N 0.218 120.541 120.400 -0.128 0.000 2.144 299 D HA -0.030 4.599 4.640 -0.018 0.000 0.200 299 D C 2.083 178.385 176.300 0.004 0.000 0.978 299 D CA 0.674 54.626 54.000 -0.080 0.000 0.833 299 D CB -0.581 40.193 40.800 -0.044 0.000 0.961 299 D HN 0.465 nan 8.370 nan 0.000 0.470 300 C N -0.094 119.227 119.300 0.033 0.000 2.413 300 C HA -0.083 4.366 4.460 -0.018 0.000 0.276 300 C C 2.768 177.753 174.990 -0.007 0.000 1.248 300 C CA 0.361 59.411 59.018 0.053 0.000 1.742 300 C CB -1.146 26.619 27.740 0.043 0.000 2.017 300 C HN 0.439 nan 8.230 nan 0.000 0.481 301 L N 0.299 121.505 121.223 -0.029 0.000 2.083 301 L HA -0.204 4.125 4.340 -0.018 0.000 0.209 301 L C 2.911 179.766 176.870 -0.026 0.000 1.083 301 L CA 1.395 56.218 54.840 -0.028 0.000 0.752 301 L CB -0.819 41.219 42.059 -0.035 0.000 0.899 301 L HN 0.422 nan 8.230 nan 0.000 0.433 302 Q N 0.795 120.569 119.800 -0.043 0.000 2.050 302 Q HA -0.191 4.138 4.340 -0.018 0.000 0.202 302 Q C 2.236 178.229 176.000 -0.012 0.000 0.980 302 Q CA 1.776 57.555 55.803 -0.039 0.000 0.840 302 Q CB -0.142 28.537 28.738 -0.099 0.000 0.898 302 Q HN 0.549 nan 8.270 nan 0.000 0.424 303 I N 0.530 121.074 120.570 -0.043 0.000 2.226 303 I HA -0.306 3.853 4.170 -0.018 0.000 0.245 303 I C 2.322 178.426 176.117 -0.022 0.000 1.100 303 I CA 0.870 62.132 61.300 -0.063 0.000 1.374 303 I CB -0.241 37.694 38.000 -0.108 0.000 1.057 303 I HN 0.150 nan 8.210 nan 0.000 0.413 304 L N 0.213 121.428 121.223 -0.014 0.000 2.156 304 L HA -0.088 4.242 4.340 -0.018 0.000 0.208 304 L C 2.641 179.521 176.870 0.017 0.000 1.095 304 L CA 1.042 55.880 54.840 -0.003 0.000 0.770 304 L CB -0.512 41.544 42.059 -0.006 0.000 0.914 304 L HN 0.208 nan 8.230 nan 0.000 0.439 305 A N -1.277 121.557 122.820 0.023 0.000 2.030 305 A HA -0.111 4.198 4.320 -0.018 0.000 0.215 305 A C 0.855 178.459 177.584 0.033 0.000 1.164 305 A CA -0.122 51.925 52.037 0.016 0.000 0.697 305 A CB -0.425 18.574 19.000 -0.002 0.000 0.827 305 A HN 0.299 nan 8.150 nan 0.000 0.457 306 Y N 1.448 121.712 120.300 -0.061 0.000 2.802 306 Y HA 0.256 4.795 4.550 -0.018 0.000 0.333 306 Y C 1.430 177.297 175.900 -0.055 0.000 1.244 306 Y CA 0.736 58.798 58.100 -0.064 0.000 1.558 306 Y CB -0.059 38.357 38.460 -0.073 0.000 1.233 306 Y HN 0.527 nan 8.280 nan 0.000 0.547 307 G N 4.539 113.105 108.800 -0.390 0.000 2.187 307 G HA2 -0.363 3.586 3.960 -0.018 0.000 0.261 307 G HA3 -0.363 3.586 3.960 -0.018 0.000 0.261 307 G C 0.054 174.902 174.900 -0.087 0.000 1.000 307 G CA 0.406 45.360 45.100 -0.243 0.000 0.718 307 G HN 0.807 nan 8.290 nan 0.000 0.519 308 N N -0.055 118.606 118.700 -0.065 0.000 2.682 308 N HA 0.259 4.988 4.740 -0.018 0.000 0.252 308 N C 1.337 176.822 175.510 -0.040 0.000 1.081 308 N CA -0.280 52.750 53.050 -0.034 0.000 0.844 308 N CB 0.590 39.074 38.487 -0.006 0.000 1.167 308 N HN 0.414 nan 8.380 nan 0.000 0.523 309 Q N 0.960 120.733 119.800 -0.046 0.000 2.152 309 Q HA -0.193 4.137 4.340 -0.018 0.000 0.206 309 Q C 0.938 176.922 176.000 -0.027 0.000 0.985 309 Q CA 1.782 57.561 55.803 -0.041 0.000 0.863 309 Q CB 0.259 28.973 28.738 -0.039 0.000 0.904 309 Q HN 0.648 nan 8.270 nan 0.000 0.422 310 E N -0.113 120.075 120.200 -0.019 0.000 2.077 310 E HA -0.134 4.205 4.350 -0.018 0.000 0.193 310 E C 2.137 178.731 176.600 -0.009 0.000 0.989 310 E CA 1.152 57.545 56.400 -0.012 0.000 0.800 310 E CB 0.043 29.739 29.700 -0.007 0.000 0.746 310 E HN 0.154 nan 8.360 nan 0.000 0.452 311 S N 0.741 116.436 115.700 -0.009 0.000 2.383 311 S HA -0.124 4.335 4.470 -0.018 0.000 0.227 311 S C 1.700 176.295 174.600 -0.009 0.000 1.026 311 S CA 0.971 59.168 58.200 -0.006 0.000 0.981 311 S CB -0.041 63.157 63.200 -0.003 0.000 0.818 311 S HN 0.194 nan 8.310 nan 0.000 0.472 312 K N 1.060 121.450 120.400 -0.017 0.000 2.097 312 K HA 0.019 4.328 4.320 -0.018 0.000 0.206 312 K C 1.946 178.538 176.600 -0.014 0.000 1.049 312 K CA 0.919 57.194 56.287 -0.020 0.000 0.933 312 K CB -0.350 32.131 32.500 -0.032 0.000 0.717 312 K HN 0.308 nan 8.250 nan 0.000 0.442 313 L N 0.865 122.080 121.223 -0.013 0.000 2.093 313 L HA -0.155 4.174 4.340 -0.018 0.000 0.208 313 L C 2.364 179.232 176.870 -0.004 0.000 1.085 313 L CA 1.016 55.851 54.840 -0.009 0.000 0.755 313 L CB -0.367 41.686 42.059 -0.009 0.000 0.904 313 L HN 0.184 nan 8.230 nan 0.000 0.435 314 I N -0.147 120.421 120.570 -0.002 0.000 2.252 314 I HA -0.313 3.846 4.170 -0.018 0.000 0.245 314 I C 2.422 178.541 176.117 0.004 0.000 1.102 314 I CA 1.430 62.731 61.300 0.002 0.000 1.385 314 I CB -0.144 37.858 38.000 0.004 0.000 1.064 314 I HN 0.168 nan 8.210 nan 0.000 0.414 315 I N 0.244 120.815 120.570 0.001 0.000 2.208 315 I HA -0.310 3.849 4.170 -0.018 0.000 0.245 315 I C 2.547 178.666 176.117 0.004 0.000 1.097 315 I CA 1.195 62.497 61.300 0.002 0.000 1.363 315 I CB -0.299 37.699 38.000 -0.002 0.000 1.051 315 I HN 0.258 nan 8.210 nan 0.000 0.413 316 L N 1.420 122.644 121.223 0.001 0.000 2.012 316 L HA -0.174 4.155 4.340 -0.018 0.000 0.210 316 L C 2.543 179.416 176.870 0.005 0.000 1.073 316 L CA 2.267 57.108 54.840 0.002 0.000 0.748 316 L CB -0.792 41.266 42.059 -0.002 0.000 0.891 316 L HN 0.178 nan 8.230 nan 0.000 0.431 317 A N -1.690 121.132 122.820 0.004 0.000 2.019 317 A HA -0.129 4.180 4.320 -0.018 0.000 0.219 317 A C 2.232 179.822 177.584 0.009 0.000 1.164 317 A CA 1.754 53.795 52.037 0.006 0.000 0.644 317 A CB -0.704 18.299 19.000 0.005 0.000 0.805 317 A HN 0.542 nan 8.150 nan 0.000 0.449 318 S N -1.569 114.137 115.700 0.011 0.000 2.575 318 S HA 0.373 4.832 4.470 -0.018 0.000 0.215 318 S C 1.241 175.851 174.600 0.018 0.000 0.966 318 S CA 0.654 58.863 58.200 0.015 0.000 0.911 318 S CB 0.066 63.277 63.200 0.017 0.000 0.780 318 S HN 1.587 nan 8.310 nan 0.000 0.514 319 G N 1.095 109.904 108.800 0.015 0.000 2.149 319 G HA2 -0.226 3.723 3.960 -0.018 0.000 0.235 319 G HA3 -0.226 3.723 3.960 -0.018 0.000 0.235 319 G C 0.825 175.737 174.900 0.020 0.000 1.018 319 G CA 0.202 45.312 45.100 0.017 0.000 0.728 319 G HN 0.581 nan 8.290 nan 0.000 0.508 320 G N 0.712 109.521 108.800 0.016 0.000 2.446 320 G HA2 0.003 3.952 3.960 -0.018 0.000 0.217 320 G HA3 0.003 3.952 3.960 -0.018 0.000 0.217 320 G C 0.157 175.067 174.900 0.016 0.000 1.168 320 G CA 1.752 46.861 45.100 0.016 0.000 0.771 320 G HN 0.534 nan 8.290 nan 0.000 0.551 321 P HA -0.169 nan 4.420 nan 0.000 0.214 321 P C 1.835 179.148 177.300 0.021 0.000 1.163 321 P CA 1.792 64.901 63.100 0.014 0.000 0.889 321 P CB -0.008 31.698 31.700 0.011 0.000 0.790 322 Q N -0.206 119.607 119.800 0.022 0.000 2.084 322 Q HA -0.136 4.193 4.340 -0.018 0.000 0.202 322 Q C 2.032 178.053 176.000 0.035 0.000 0.978 322 Q CA 2.146 57.965 55.803 0.026 0.000 0.844 322 Q CB -1.299 27.453 28.738 0.023 0.000 0.898 322 Q HN 0.112 nan 8.270 nan 0.000 0.426 323 A N -0.115 122.728 122.820 0.039 0.000 1.930 323 A HA -0.102 4.207 4.320 -0.018 0.000 0.217 323 A C 2.071 179.692 177.584 0.061 0.000 1.175 323 A CA 1.376 53.445 52.037 0.054 0.000 0.627 323 A CB -0.663 18.369 19.000 0.053 0.000 0.815 323 A HN 0.444 nan 8.150 nan 0.000 0.443 324 L N -0.740 120.509 121.223 0.044 0.000 2.056 324 L HA -0.118 4.211 4.340 -0.018 0.000 0.207 324 L C 2.471 179.372 176.870 0.053 0.000 1.078 324 L CA 0.836 55.701 54.840 0.042 0.000 0.749 324 L CB -0.538 41.533 42.059 0.020 0.000 0.901 324 L HN 0.214 nan 8.230 nan 0.000 0.433 325 V N 0.228 120.169 119.914 0.046 0.000 2.407 325 V HA -0.289 3.820 4.120 -0.018 0.000 0.248 325 V C 2.055 178.184 176.094 0.059 0.000 1.055 325 V CA 2.072 64.401 62.300 0.050 0.000 1.049 325 V CB -0.819 31.027 31.823 0.038 0.000 0.662 325 V HN 0.508 nan 8.190 nan 0.000 0.455 326 N N 0.024 118.758 118.700 0.056 0.000 2.104 326 N HA -0.167 4.562 4.740 -0.018 0.000 0.190 326 N C 1.853 177.408 175.510 0.075 0.000 1.024 326 N CA 1.489 54.570 53.050 0.051 0.000 0.853 326 N CB -0.221 38.298 38.487 0.054 0.000 1.008 326 N HN 0.410 nan 8.380 nan 0.000 0.424 327 I N 0.829 121.482 120.570 0.138 0.000 2.226 327 I HA -0.258 3.902 4.170 -0.018 0.000 0.245 327 I C 2.070 178.310 176.117 0.206 0.000 1.100 327 I CA 0.866 62.319 61.300 0.255 0.000 1.374 327 I CB -0.109 38.023 38.000 0.221 0.000 1.057 327 I HN 0.222 nan 8.210 nan 0.000 0.413 328 M N 0.269 119.947 119.600 0.130 0.000 2.229 328 M HA -0.163 4.306 4.480 -0.018 0.000 0.264 328 M C 2.682 179.119 176.300 0.228 0.000 1.063 328 M CA 1.773 57.154 55.300 0.135 0.000 1.114 328 M CB -1.469 31.194 32.600 0.106 0.000 1.387 328 M HN 0.309 nan 8.290 nan 0.000 0.420 329 R N -0.350 120.225 120.500 0.125 0.000 2.276 329 R HA 0.088 4.417 4.340 -0.018 0.000 0.196 329 R C 1.923 178.222 176.300 -0.001 0.000 0.961 329 R CA 1.417 57.560 56.100 0.072 0.000 1.024 329 R CB -1.460 28.858 30.300 0.030 0.000 0.940 329 R HN 0.493 nan 8.270 nan 0.000 0.480 330 T N -0.861 113.649 114.554 -0.074 0.000 3.045 330 T HA 0.240 4.579 4.350 -0.018 0.000 0.239 330 T C -0.098 174.386 174.700 -0.359 0.000 1.008 330 T CA 0.334 62.250 62.100 -0.308 0.000 1.143 330 T CB -0.045 68.454 68.868 -0.614 0.000 0.894 330 T HN 0.447 nan 8.240 nan 0.000 0.451 331 Y N 1.594 121.958 120.300 0.106 0.000 2.374 331 Y HA 0.417 4.956 4.550 -0.018 0.000 0.322 331 Y C 1.760 177.752 175.900 0.154 0.000 1.275 331 Y CA -0.778 57.393 58.100 0.118 0.000 1.307 331 Y CB 0.787 39.318 38.460 0.117 0.000 1.282 331 Y HN 0.035 nan 8.280 nan 0.000 0.509 332 T N -3.447 111.311 114.554 0.341 0.000 3.004 332 T HA 0.075 4.414 4.350 -0.018 0.000 0.266 332 T C -0.181 174.674 174.700 0.258 0.000 0.986 332 T CA -0.111 62.145 62.100 0.260 0.000 0.902 332 T CB -0.517 68.466 68.868 0.191 0.000 1.118 332 T HN 0.381 nan 8.240 nan 0.000 0.522 333 Y N 3.806 124.182 120.300 0.127 0.000 2.754 333 Y HA 0.209 4.748 4.550 -0.018 0.000 0.349 333 Y C 1.606 177.539 175.900 0.055 0.000 1.179 333 Y CA -1.331 56.807 58.100 0.064 0.000 1.538 333 Y CB 0.407 38.878 38.460 0.019 0.000 1.200 333 Y HN 0.142 nan 8.280 nan 0.000 0.522 334 E N 4.835 124.942 120.200 -0.156 0.000 2.097 334 E HA -0.264 4.075 4.350 -0.018 0.000 0.196 334 E C 1.345 177.789 176.600 -0.260 0.000 1.000 334 E CA 1.816 58.106 56.400 -0.182 0.000 0.804 334 E CB 0.220 29.832 29.700 -0.146 0.000 0.740 334 E HN 0.817 nan 8.360 nan 0.000 0.454 335 K N 0.102 120.143 120.400 -0.599 0.000 2.097 335 K HA -0.167 4.142 4.320 -0.018 0.000 0.206 335 K C 2.275 178.795 176.600 -0.132 0.000 1.049 335 K CA 1.116 57.202 56.287 -0.335 0.000 0.933 335 K CB -0.222 31.982 32.500 -0.492 0.000 0.717 335 K HN 0.093 nan 8.250 nan 0.000 0.442 336 L N 1.343 122.429 121.223 -0.228 0.000 2.072 336 L HA -0.092 4.237 4.340 -0.018 0.000 0.205 336 L C 1.836 178.703 176.870 -0.004 0.000 1.079 336 L CA 1.417 56.253 54.840 -0.008 0.000 0.752 336 L CB -0.347 41.793 42.059 0.134 0.000 0.906 336 L HN 0.088 nan 8.230 nan 0.000 0.436 337 L N -1.789 119.428 121.223 -0.011 0.000 2.042 337 L HA -0.244 4.085 4.340 -0.018 0.000 0.210 337 L C 2.418 179.293 176.870 0.008 0.000 1.076 337 L CA 1.799 56.609 54.840 -0.050 0.000 0.749 337 L CB -0.851 41.117 42.059 -0.151 0.000 0.893 337 L HN 0.526 nan 8.230 nan 0.000 0.432 338 W N 1.328 122.547 121.300 -0.136 0.000 2.378 338 W HA -0.234 4.415 4.660 -0.018 0.000 0.313 338 W C 2.902 179.383 176.519 -0.062 0.000 1.197 338 W CA 2.322 59.611 57.345 -0.094 0.000 1.304 338 W CB -0.692 28.707 29.460 -0.101 0.000 1.148 338 W HN 0.273 nan 8.180 nan 0.000 0.494 339 T N -2.667 111.751 114.554 -0.227 0.000 2.759 339 T HA -0.216 4.123 4.350 -0.018 0.000 0.269 339 T C 1.668 176.203 174.700 -0.275 0.000 1.042 339 T CA 2.201 64.049 62.100 -0.420 0.000 1.140 339 T CB -1.160 67.567 68.868 -0.235 0.000 0.864 339 T HN 0.126 nan 8.240 nan 0.000 0.455 340 T N 2.440 116.905 114.554 -0.149 0.000 2.821 340 T HA -0.082 4.258 4.350 -0.018 0.000 0.267 340 T C 2.483 177.129 174.700 -0.089 0.000 1.046 340 T CA 1.618 63.663 62.100 -0.093 0.000 1.139 340 T CB -0.591 68.256 68.868 -0.035 0.000 0.871 340 T HN 0.762 nan 8.240 nan 0.000 0.454 341 S N 1.849 117.493 115.700 -0.093 0.000 2.402 341 S HA -0.078 4.381 4.470 -0.018 0.000 0.229 341 S C 2.035 176.593 174.600 -0.070 0.000 1.021 341 S CA 0.600 58.771 58.200 -0.048 0.000 0.974 341 S CB -0.340 62.862 63.200 0.004 0.000 0.800 341 S HN 0.448 nan 8.310 nan 0.000 0.484 342 R N 0.561 120.948 120.500 -0.188 0.000 2.092 342 R HA 0.052 4.381 4.340 -0.018 0.000 0.231 342 R C 2.284 178.522 176.300 -0.103 0.000 1.119 342 R CA 1.336 57.325 56.100 -0.186 0.000 0.970 342 R CB -0.671 29.397 30.300 -0.387 0.000 0.864 342 R HN 0.365 nan 8.270 nan 0.000 0.440 343 V N 1.500 121.350 119.914 -0.106 0.000 2.307 343 V HA -0.209 3.900 4.120 -0.018 0.000 0.245 343 V C 2.309 178.382 176.094 -0.036 0.000 1.045 343 V CA 1.588 63.850 62.300 -0.063 0.000 1.024 343 V CB -0.447 31.340 31.823 -0.061 0.000 0.651 343 V HN 0.263 nan 8.190 nan 0.000 0.449 344 L N -0.039 121.167 121.223 -0.028 0.000 2.079 344 L HA -0.238 4.091 4.340 -0.018 0.000 0.210 344 L C 2.603 179.474 176.870 0.002 0.000 1.081 344 L CA 1.930 56.767 54.840 -0.006 0.000 0.752 344 L CB -0.603 41.460 42.059 0.007 0.000 0.896 344 L HN 0.348 nan 8.230 nan 0.000 0.433 345 K N 0.121 120.525 120.400 0.007 0.000 2.026 345 K HA -0.161 4.148 4.320 -0.018 0.000 0.208 345 K C 2.020 178.606 176.600 -0.022 0.000 1.048 345 K CA 1.478 57.777 56.287 0.020 0.000 0.929 345 K CB -0.003 32.526 32.500 0.048 0.000 0.713 345 K HN 0.070 nan 8.250 nan 0.000 0.439 346 V N 1.837 121.729 119.914 -0.036 0.000 2.343 346 V HA -0.253 3.856 4.120 -0.018 0.000 0.247 346 V C 2.274 178.328 176.094 -0.067 0.000 1.051 346 V CA 1.627 63.885 62.300 -0.071 0.000 1.036 346 V CB -0.352 31.443 31.823 -0.047 0.000 0.654 346 V HN 0.335 nan 8.190 nan 0.000 0.451 347 L N 0.748 121.947 121.223 -0.040 0.000 2.156 347 L HA -0.088 4.241 4.340 -0.018 0.000 0.208 347 L C 2.624 179.477 176.870 -0.027 0.000 1.095 347 L CA 1.480 56.300 54.840 -0.032 0.000 0.770 347 L CB -0.744 41.303 42.059 -0.019 0.000 0.914 347 L HN 0.542 nan 8.230 nan 0.000 0.439 348 S N 0.051 115.740 115.700 -0.019 0.000 2.500 348 S HA -0.106 4.353 4.470 -0.018 0.000 0.239 348 S C 1.615 176.203 174.600 -0.020 0.000 0.989 348 S CA 0.982 59.176 58.200 -0.009 0.000 0.951 348 S CB -0.721 62.485 63.200 0.011 0.000 0.759 348 S HN 0.378 nan 8.310 nan 0.000 0.523 349 V N -1.629 118.260 119.914 -0.042 0.000 3.649 349 V HA 0.384 4.493 4.120 -0.018 0.000 0.275 349 V C 0.870 176.934 176.094 -0.050 0.000 1.281 349 V CA -0.415 61.853 62.300 -0.053 0.000 1.143 349 V CB -1.281 30.491 31.823 -0.086 0.000 0.892 349 V HN 0.642 nan 8.190 nan 0.000 0.441 350 C N 2.410 121.685 119.300 -0.042 0.000 2.285 350 C HA 0.593 5.042 4.460 -0.018 0.000 0.335 350 C C 2.319 177.295 174.990 -0.024 0.000 1.267 350 C CA 0.341 59.338 59.018 -0.036 0.000 1.762 350 C CB 0.431 28.151 27.740 -0.034 0.000 2.365 350 C HN 0.743 nan 8.230 nan 0.000 0.527 351 S N 3.785 119.472 115.700 -0.022 0.000 2.440 351 S HA -0.130 4.329 4.470 -0.018 0.000 0.238 351 S C 1.573 176.166 174.600 -0.011 0.000 1.010 351 S CA 1.852 60.043 58.200 -0.015 0.000 0.972 351 S CB -0.240 62.951 63.200 -0.015 0.000 0.774 351 S HN 0.829 nan 8.310 nan 0.000 0.501 352 S N 1.913 117.605 115.700 -0.012 0.000 2.421 352 S HA 0.139 4.598 4.470 -0.018 0.000 0.224 352 S C 1.802 176.398 174.600 -0.007 0.000 1.035 352 S CA 0.300 58.495 58.200 -0.009 0.000 0.953 352 S CB -0.337 62.857 63.200 -0.009 0.000 0.810 352 S HN 0.586 nan 8.310 nan 0.000 0.497 353 N N 1.430 120.125 118.700 -0.009 0.000 2.300 353 N HA -0.011 4.718 4.740 -0.018 0.000 0.179 353 N C 1.686 177.194 175.510 -0.003 0.000 1.016 353 N CA 0.592 53.638 53.050 -0.007 0.000 0.876 353 N CB -0.075 38.405 38.487 -0.011 0.000 0.979 353 N HN 0.391 nan 8.380 nan 0.000 0.432 354 K N 1.834 122.231 120.400 -0.005 0.000 2.001 354 K HA -0.111 4.198 4.320 -0.018 0.000 0.214 354 K C -0.856 175.745 176.600 0.002 0.000 1.050 354 K CA 1.548 57.834 56.287 -0.000 0.000 0.934 354 K CB -0.697 31.802 32.500 -0.002 0.000 0.718 354 K HN 0.088 nan 8.250 nan 0.000 0.443 355 P HA -0.149 nan 4.420 nan 0.000 0.218 355 P C 0.900 178.201 177.300 0.003 0.000 1.149 355 P CA 1.865 64.966 63.100 0.002 0.000 0.817 355 P CB -0.028 31.672 31.700 0.000 0.000 0.785 356 A N -0.113 122.709 122.820 0.003 0.000 1.930 356 A HA -0.093 4.216 4.320 -0.018 0.000 0.217 356 A C 2.350 179.939 177.584 0.008 0.000 1.175 356 A CA 1.050 53.090 52.037 0.005 0.000 0.627 356 A CB -1.408 17.595 19.000 0.005 0.000 0.815 356 A HN 0.115 nan 8.150 nan 0.000 0.443 357 I N -0.557 120.018 120.570 0.008 0.000 2.202 357 I HA -0.191 3.968 4.170 -0.018 0.000 0.242 357 I C 2.339 178.464 176.117 0.013 0.000 1.091 357 I CA 0.977 62.284 61.300 0.012 0.000 1.368 357 I CB -0.364 37.644 38.000 0.013 0.000 1.058 357 I HN 0.138 nan 8.210 nan 0.000 0.410 358 V N 1.268 121.188 119.914 0.010 0.000 2.255 358 V HA -0.314 3.796 4.120 -0.018 0.000 0.247 358 V C 3.036 179.134 176.094 0.006 0.000 1.051 358 V CA 2.597 64.902 62.300 0.008 0.000 1.018 358 V CB -1.318 30.508 31.823 0.005 0.000 0.641 358 V HN 0.619 nan 8.190 nan 0.000 0.445 359 E N -0.196 120.007 120.200 0.005 0.000 2.265 359 E HA -0.114 4.225 4.350 -0.018 0.000 0.196 359 E C 2.034 178.637 176.600 0.006 0.000 0.996 359 E CA 1.451 57.854 56.400 0.004 0.000 0.832 359 E CB -0.703 28.999 29.700 0.003 0.000 0.756 359 E HN 0.738 nan 8.360 nan 0.000 0.491 360 A N -1.026 121.799 122.820 0.009 0.000 2.167 360 A HA 0.463 4.772 4.320 -0.018 0.000 0.214 360 A C 2.206 179.798 177.584 0.013 0.000 1.151 360 A CA 1.333 53.377 52.037 0.012 0.000 0.735 360 A CB -0.193 18.817 19.000 0.016 0.000 0.802 360 A HN 1.552 nan 8.150 nan 0.000 0.467 361 G N -2.435 106.372 108.800 0.012 0.000 2.138 361 G HA2 -0.076 3.873 3.960 -0.018 0.000 0.193 361 G HA3 -0.076 3.873 3.960 -0.018 0.000 0.193 361 G C 1.146 176.058 174.900 0.020 0.000 0.998 361 G CA 0.479 45.586 45.100 0.013 0.000 0.668 361 G HN 1.147 nan 8.290 nan 0.000 0.516 362 G N 0.339 109.152 108.800 0.023 0.000 2.442 362 G HA2 -0.095 3.854 3.960 -0.018 0.000 0.219 362 G HA3 -0.095 3.854 3.960 -0.018 0.000 0.219 362 G C 1.866 176.787 174.900 0.035 0.000 1.141 362 G CA 1.742 46.861 45.100 0.032 0.000 0.763 362 G HN 0.426 nan 8.290 nan 0.000 0.554 363 M N 0.166 119.781 119.600 0.024 0.000 2.086 363 M HA -0.054 4.415 4.480 -0.018 0.000 0.261 363 M C 2.633 178.947 176.300 0.023 0.000 1.067 363 M CA 1.264 56.578 55.300 0.023 0.000 1.116 363 M CB -1.240 31.367 32.600 0.012 0.000 1.348 363 M HN 0.214 nan 8.290 nan 0.000 0.407 364 Q N 0.283 120.093 119.800 0.015 0.000 2.119 364 Q HA 0.023 4.352 4.340 -0.018 0.000 0.201 364 Q C 2.269 178.280 176.000 0.019 0.000 0.972 364 Q CA 1.923 57.731 55.803 0.008 0.000 0.847 364 Q CB -0.662 28.076 28.738 -0.000 0.000 0.903 364 Q HN 0.586 nan 8.270 nan 0.000 0.433 365 A N 0.356 123.201 122.820 0.041 0.000 1.898 365 A HA -0.107 4.202 4.320 -0.018 0.000 0.216 365 A C 2.032 179.704 177.584 0.148 0.000 1.181 365 A CA 1.069 53.154 52.037 0.081 0.000 0.620 365 A CB -0.653 18.399 19.000 0.087 0.000 0.819 365 A HN 0.326 nan 8.150 nan 0.000 0.442 366 L N -0.631 120.664 121.223 0.121 0.000 2.093 366 L HA -0.088 4.241 4.340 -0.018 0.000 0.208 366 L C 2.795 179.740 176.870 0.125 0.000 1.085 366 L CA 0.971 55.899 54.840 0.145 0.000 0.755 366 L CB -0.765 41.347 42.059 0.089 0.000 0.904 366 L HN 0.482 nan 8.230 nan 0.000 0.435 367 G N 0.218 109.055 108.800 0.061 0.000 2.432 367 G HA2 -0.252 3.697 3.960 -0.018 0.000 0.219 367 G HA3 -0.252 3.697 3.960 -0.018 0.000 0.219 367 G C 1.728 176.621 174.900 -0.012 0.000 1.135 367 G CA 1.101 46.214 45.100 0.023 0.000 0.767 367 G HN 0.344 nan 8.290 nan 0.000 0.550 368 L N -0.259 120.931 121.223 -0.055 0.000 2.261 368 L HA 0.075 4.404 4.340 -0.018 0.000 0.216 368 L C 2.341 179.000 176.870 -0.352 0.000 1.114 368 L CA 2.670 57.378 54.840 -0.220 0.000 0.777 368 L CB -1.348 40.519 42.059 -0.320 0.000 0.910 368 L HN 0.539 nan 8.230 nan 0.000 0.440 369 H N -1.901 117.176 119.070 0.013 0.000 2.542 369 H HA 0.413 4.958 4.556 -0.018 0.000 0.283 369 H C 1.725 177.054 175.328 0.003 0.000 1.059 369 H CA -0.236 55.821 56.048 0.014 0.000 1.162 369 H CB 0.358 30.137 29.762 0.029 0.000 1.539 369 H HN 0.457 nan 8.280 nan 0.000 0.543 370 L N 0.485 121.747 121.223 0.064 0.000 2.456 370 L HA -0.064 4.265 4.340 -0.018 0.000 0.224 370 L C 1.605 178.480 176.870 0.009 0.000 1.148 370 L CA 1.493 56.350 54.840 0.028 0.000 0.825 370 L CB -0.133 41.929 42.059 0.005 0.000 0.937 370 L HN 0.443 nan 8.230 nan 0.000 0.450 371 T N -6.357 108.201 114.554 0.008 0.000 3.054 371 T HA 0.118 4.457 4.350 -0.018 0.000 0.255 371 T C 0.468 175.174 174.700 0.009 0.000 1.035 371 T CA -0.566 61.532 62.100 -0.002 0.000 0.941 371 T CB -0.072 68.787 68.868 -0.014 0.000 1.026 371 T HN -0.039 nan 8.240 nan 0.000 0.533 372 D N 3.373 123.796 120.400 0.037 0.000 2.449 372 D HA 0.180 4.809 4.640 -0.018 0.000 0.236 372 D C -1.467 174.843 176.300 0.017 0.000 1.149 372 D CA -1.687 52.342 54.000 0.049 0.000 0.878 372 D CB 0.916 41.781 40.800 0.109 0.000 1.198 372 D HN 0.080 nan 8.370 nan 0.000 0.446 373 P HA -0.054 nan 4.420 nan 0.000 0.225 373 P C 0.035 177.316 177.300 -0.032 0.000 1.148 373 P CA 0.660 63.752 63.100 -0.014 0.000 0.779 373 P CB 0.327 32.019 31.700 -0.013 0.000 0.780 374 S N 0.119 115.799 115.700 -0.032 0.000 2.414 374 S HA 0.020 4.479 4.470 -0.018 0.000 0.290 374 S C 1.313 175.878 174.600 -0.059 0.000 1.160 374 S CA -0.449 57.711 58.200 -0.066 0.000 1.069 374 S CB 0.003 63.156 63.200 -0.079 0.000 1.012 374 S HN 0.110 nan 8.310 nan 0.000 0.510 375 Q N 5.072 124.827 119.800 -0.074 0.000 2.084 375 Q HA -0.194 4.135 4.340 -0.018 0.000 0.202 375 Q C 2.171 178.133 176.000 -0.065 0.000 0.978 375 Q CA 1.692 57.453 55.803 -0.070 0.000 0.844 375 Q CB -0.110 28.586 28.738 -0.070 0.000 0.898 375 Q HN 0.924 nan 8.270 nan 0.000 0.426 376 R N -0.071 120.383 120.500 -0.077 0.000 2.120 376 R HA -0.150 4.179 4.340 -0.018 0.000 0.234 376 R C 2.191 178.557 176.300 0.110 0.000 1.123 376 R CA 1.371 57.465 56.100 -0.010 0.000 0.975 376 R CB -0.657 29.542 30.300 -0.169 0.000 0.866 376 R HN 0.277 nan 8.270 nan 0.000 0.446 377 L N 1.268 122.528 121.223 0.063 0.000 2.072 377 L HA -0.031 4.298 4.340 -0.018 0.000 0.205 377 L C 2.207 179.118 176.870 0.069 0.000 1.079 377 L CA 1.275 56.191 54.840 0.128 0.000 0.752 377 L CB -0.226 41.872 42.059 0.066 0.000 0.906 377 L HN 0.039 nan 8.230 nan 0.000 0.436 378 V N -0.007 119.916 119.914 0.015 0.000 2.295 378 V HA -0.347 3.762 4.120 -0.018 0.000 0.246 378 V C 3.100 179.144 176.094 -0.084 0.000 1.049 378 V CA 2.273 64.562 62.300 -0.018 0.000 1.024 378 V CB -1.502 30.295 31.823 -0.043 0.000 0.648 378 V HN 0.693 nan 8.190 nan 0.000 0.447 379 Q N -0.004 119.708 119.800 -0.147 0.000 2.050 379 Q HA -0.289 4.040 4.340 -0.018 0.000 0.202 379 Q C 2.017 177.869 176.000 -0.246 0.000 0.980 379 Q CA 2.115 57.688 55.803 -0.383 0.000 0.840 379 Q CB -0.988 27.472 28.738 -0.463 0.000 0.898 379 Q HN 0.717 nan 8.270 nan 0.000 0.424 380 N N -0.121 118.622 118.700 0.071 0.000 2.120 380 N HA -0.115 4.614 4.740 -0.018 0.000 0.188 380 N C 1.950 177.559 175.510 0.165 0.000 1.024 380 N CA 1.635 54.835 53.050 0.249 0.000 0.852 380 N CB -0.651 37.980 38.487 0.240 0.000 1.003 380 N HN 0.674 nan 8.380 nan 0.000 0.424 381 C N 0.769 120.120 119.300 0.085 0.000 2.429 381 C HA 0.022 4.471 4.460 -0.018 0.000 0.277 381 C C 2.869 177.892 174.990 0.055 0.000 1.262 381 C CA 0.107 59.169 59.018 0.073 0.000 1.733 381 C CB -1.182 26.600 27.740 0.071 0.000 2.010 381 C HN 0.410 nan 8.230 nan 0.000 0.483 382 L N -0.696 120.518 121.223 -0.015 0.000 2.017 382 L HA -0.164 4.165 4.340 -0.018 0.000 0.208 382 L C 2.786 179.681 176.870 0.042 0.000 1.073 382 L CA 1.584 56.393 54.840 -0.051 0.000 0.745 382 L CB -0.576 41.367 42.059 -0.193 0.000 0.894 382 L HN 0.501 nan 8.230 nan 0.000 0.432 383 W N 0.379 121.696 121.300 0.028 0.000 2.358 383 W HA -0.152 4.497 4.660 -0.019 0.000 0.303 383 W C 2.686 179.214 176.519 0.014 0.000 1.208 383 W CA 1.594 58.952 57.345 0.021 0.000 1.274 383 W CB -1.328 28.147 29.460 0.024 0.000 1.138 383 W HN 0.188 nan 8.180 nan 0.000 0.515 384 T N 1.226 115.931 114.554 0.253 0.000 2.708 384 T HA -0.162 4.177 4.350 -0.018 0.000 0.266 384 T C 2.134 176.894 174.700 0.101 0.000 1.037 384 T CA 1.340 63.524 62.100 0.141 0.000 1.146 384 T CB -0.690 68.243 68.868 0.107 0.000 0.865 384 T HN 0.001 nan 8.240 nan 0.000 0.435 385 L N 0.470 121.747 121.223 0.091 0.000 2.042 385 L HA -0.128 4.201 4.340 -0.018 0.000 0.210 385 L C 2.878 179.788 176.870 0.065 0.000 1.076 385 L CA 1.416 56.294 54.840 0.063 0.000 0.749 385 L CB -0.420 41.667 42.059 0.048 0.000 0.893 385 L HN 0.171 nan 8.230 nan 0.000 0.432 386 R N 0.078 120.632 120.500 0.090 0.000 2.073 386 R HA -0.160 4.169 4.340 -0.018 0.000 0.234 386 R C 2.142 178.486 176.300 0.074 0.000 1.134 386 R CA 1.623 57.776 56.100 0.088 0.000 0.952 386 R CB -0.101 30.275 30.300 0.128 0.000 0.850 386 R HN 0.391 nan 8.270 nan 0.000 0.433 387 N N 0.670 119.417 118.700 0.079 0.000 2.149 387 N HA -0.167 4.562 4.740 -0.018 0.000 0.188 387 N C 1.755 177.284 175.510 0.032 0.000 1.019 387 N CA 1.258 54.336 53.050 0.046 0.000 0.857 387 N CB -0.131 38.377 38.487 0.035 0.000 0.997 387 N HN 0.308 nan 8.380 nan 0.000 0.426 388 L N 0.793 122.038 121.223 0.036 0.000 2.270 388 L HA -0.010 4.319 4.340 -0.018 0.000 0.210 388 L C 2.391 179.275 176.870 0.023 0.000 1.104 388 L CA 0.454 55.309 54.840 0.025 0.000 0.804 388 L CB -0.501 41.574 42.059 0.027 0.000 0.937 388 L HN 0.151 nan 8.230 nan 0.000 0.450 389 S N 0.943 116.660 115.700 0.029 0.000 2.389 389 S HA -0.293 4.166 4.470 -0.018 0.000 0.231 389 S C 1.609 176.221 174.600 0.020 0.000 1.052 389 S CA 1.811 60.026 58.200 0.026 0.000 1.053 389 S CB -0.823 62.398 63.200 0.035 0.000 0.886 389 S HN 0.662 nan 8.310 nan 0.000 0.456 390 D N 1.902 122.315 120.400 0.022 0.000 2.392 390 D HA 0.147 4.776 4.640 -0.018 0.000 0.228 390 D C 1.238 177.543 176.300 0.008 0.000 1.003 390 D CA 0.923 54.933 54.000 0.017 0.000 0.917 390 D CB -0.335 40.478 40.800 0.020 0.000 0.890 390 D HN 0.664 nan 8.370 nan 0.000 0.532 391 A N -0.562 122.261 122.820 0.006 0.000 2.469 391 A HA 0.643 4.952 4.320 -0.018 0.000 0.245 391 A C 1.640 179.223 177.584 -0.002 0.000 1.221 391 A CA 0.215 52.253 52.037 0.002 0.000 0.946 391 A CB 0.466 19.468 19.000 0.003 0.000 1.049 391 A HN 0.254 nan 8.150 nan 0.000 0.529 392 A N -0.916 121.903 122.820 -0.002 0.000 2.535 392 A HA 0.345 4.654 4.320 -0.018 0.000 0.273 392 A C 1.375 178.948 177.584 -0.018 0.000 1.267 392 A CA 0.877 52.910 52.037 -0.007 0.000 0.940 392 A CB -0.700 18.299 19.000 -0.002 0.000 1.101 392 A HN 0.191 nan 8.150 nan 0.000 0.521 393 T N -0.844 113.696 114.554 -0.022 0.000 3.163 393 T HA 0.102 4.441 4.350 -0.018 0.000 0.260 393 T C 1.522 176.192 174.700 -0.049 0.000 1.156 393 T CA 1.897 63.974 62.100 -0.038 0.000 1.072 393 T CB -0.345 68.499 68.868 -0.040 0.000 0.937 393 T HN 0.562 nan 8.240 nan 0.000 0.528 394 K N 0.194 120.571 120.400 -0.039 0.000 2.413 394 K HA 0.363 4.672 4.320 -0.018 0.000 0.204 394 K C 0.641 177.216 176.600 -0.042 0.000 1.041 394 K CA -0.272 55.989 56.287 -0.043 0.000 1.082 394 K CB 0.234 32.717 32.500 -0.028 0.000 0.871 394 K HN 0.332 nan 8.250 nan 0.000 0.535 395 Q N 1.319 121.095 119.800 -0.039 0.000 2.299 395 Q HA 0.244 4.573 4.340 -0.018 0.000 0.246 395 Q C -0.540 175.433 176.000 -0.046 0.000 0.935 395 Q CA -0.049 55.734 55.803 -0.034 0.000 0.887 395 Q CB 1.237 29.961 28.738 -0.023 0.000 1.223 395 Q HN 0.490 nan 8.270 nan 0.000 0.439 396 E N -0.459 119.718 120.200 -0.039 0.000 2.254 396 E HA 0.399 4.738 4.350 -0.018 0.000 0.258 396 E C 0.244 176.825 176.600 -0.032 0.000 1.033 396 E CA -0.492 55.882 56.400 -0.043 0.000 0.893 396 E CB 1.043 30.721 29.700 -0.036 0.000 1.204 396 E HN 0.816 nan 8.360 nan 0.000 0.425 397 G N 1.243 110.024 108.800 -0.032 0.000 2.221 397 G HA2 -0.232 3.717 3.960 -0.018 0.000 0.265 397 G HA3 -0.232 3.717 3.960 -0.018 0.000 0.265 397 G C 0.566 175.451 174.900 -0.025 0.000 1.041 397 G CA 0.403 45.488 45.100 -0.025 0.000 0.807 397 G HN 0.251 nan 8.290 nan 0.000 0.502 398 M N -0.562 119.019 119.600 -0.031 0.000 2.428 398 M HA 0.215 4.684 4.480 -0.018 0.000 0.239 398 M C 2.260 178.543 176.300 -0.028 0.000 1.121 398 M CA 1.074 56.357 55.300 -0.029 0.000 1.019 398 M CB -0.986 31.593 32.600 -0.035 0.000 1.485 398 M HN 0.613 nan 8.290 nan 0.000 0.484 399 E N 1.520 121.704 120.200 -0.027 0.000 2.065 399 E HA -0.143 4.196 4.350 -0.018 0.000 0.201 399 E C 2.171 178.758 176.600 -0.021 0.000 1.016 399 E CA 2.006 58.392 56.400 -0.024 0.000 0.818 399 E CB -1.567 28.122 29.700 -0.020 0.000 0.749 399 E HN 0.590 nan 8.360 nan 0.000 0.453 400 G N 0.148 108.935 108.800 -0.021 0.000 2.446 400 G HA2 -0.067 3.882 3.960 -0.018 0.000 0.217 400 G HA3 -0.067 3.882 3.960 -0.018 0.000 0.217 400 G C 1.789 176.676 174.900 -0.021 0.000 1.168 400 G CA 1.443 46.530 45.100 -0.023 0.000 0.771 400 G HN 0.561 nan 8.290 nan 0.000 0.551 401 L N 0.557 121.768 121.223 -0.019 0.000 2.017 401 L HA 0.054 4.383 4.340 -0.018 0.000 0.208 401 L C 2.718 179.579 176.870 -0.015 0.000 1.073 401 L CA 1.484 56.315 54.840 -0.015 0.000 0.745 401 L CB -0.622 41.431 42.059 -0.010 0.000 0.894 401 L HN 0.227 nan 8.230 nan 0.000 0.432 402 L N -0.498 120.715 121.223 -0.017 0.000 2.042 402 L HA -0.156 4.173 4.340 -0.018 0.000 0.210 402 L C 2.548 179.408 176.870 -0.016 0.000 1.076 402 L CA 1.378 56.208 54.840 -0.017 0.000 0.749 402 L CB -1.440 40.606 42.059 -0.023 0.000 0.893 402 L HN 0.498 nan 8.230 nan 0.000 0.432 403 G N -0.925 107.865 108.800 -0.017 0.000 2.421 403 G HA2 -0.242 3.707 3.960 -0.018 0.000 0.216 403 G HA3 -0.242 3.707 3.960 -0.018 0.000 0.216 403 G C 1.574 176.464 174.900 -0.016 0.000 1.171 403 G CA 1.309 46.400 45.100 -0.016 0.000 0.775 403 G HN 0.294 nan 8.290 nan 0.000 0.543 404 T N 1.360 115.904 114.554 -0.017 0.000 2.821 404 T HA -0.006 4.333 4.350 -0.018 0.000 0.267 404 T C 2.434 177.123 174.700 -0.018 0.000 1.046 404 T CA 0.789 62.878 62.100 -0.018 0.000 1.139 404 T CB -0.182 68.674 68.868 -0.019 0.000 0.871 404 T HN 0.141 nan 8.240 nan 0.000 0.454 405 L N 0.672 121.885 121.223 -0.016 0.000 2.046 405 L HA -0.095 4.234 4.340 -0.018 0.000 0.208 405 L C 2.638 179.497 176.870 -0.017 0.000 1.077 405 L CA 0.895 55.725 54.840 -0.016 0.000 0.747 405 L CB -0.662 41.390 42.059 -0.011 0.000 0.896 405 L HN 0.149 nan 8.230 nan 0.000 0.432 406 V N -0.504 119.400 119.914 -0.017 0.000 2.343 406 V HA -0.297 3.812 4.120 -0.018 0.000 0.247 406 V C 2.440 178.522 176.094 -0.021 0.000 1.051 406 V CA 1.676 63.964 62.300 -0.019 0.000 1.036 406 V CB -0.505 31.306 31.823 -0.020 0.000 0.654 406 V HN 0.510 nan 8.190 nan 0.000 0.451 407 Q N -0.487 119.301 119.800 -0.020 0.000 2.124 407 Q HA -0.130 4.199 4.340 -0.018 0.000 0.202 407 Q C 2.227 178.214 176.000 -0.022 0.000 0.977 407 Q CA 1.313 57.104 55.803 -0.020 0.000 0.850 407 Q CB -0.217 28.511 28.738 -0.018 0.000 0.901 407 Q HN 0.542 nan 8.270 nan 0.000 0.429 408 L N 0.442 121.651 121.223 -0.024 0.000 2.362 408 L HA -0.139 4.190 4.340 -0.018 0.000 0.219 408 L C 2.011 178.865 176.870 -0.027 0.000 1.134 408 L CA 0.456 55.279 54.840 -0.028 0.000 0.807 408 L CB -0.239 41.800 42.059 -0.034 0.000 0.927 408 L HN 0.275 nan 8.230 nan 0.000 0.447 409 L N -0.441 120.768 121.223 -0.023 0.000 2.275 409 L HA -0.085 4.244 4.340 -0.018 0.000 0.215 409 L C 2.203 179.062 176.870 -0.018 0.000 1.119 409 L CA 0.925 55.754 54.840 -0.020 0.000 0.790 409 L CB -0.635 41.413 42.059 -0.019 0.000 0.919 409 L HN 0.294 nan 8.230 nan 0.000 0.443 410 G N -1.159 107.630 108.800 -0.019 0.000 3.181 410 G HA2 -0.048 3.901 3.960 -0.018 0.000 0.219 410 G HA3 -0.048 3.901 3.960 -0.018 0.000 0.219 410 G C 0.620 175.510 174.900 -0.016 0.000 1.182 410 G CA -0.054 45.036 45.100 -0.016 0.000 0.791 410 G HN 0.202 nan 8.290 nan 0.000 0.537 411 S N -0.317 115.371 115.700 -0.020 0.000 2.592 411 S HA 0.162 4.621 4.470 -0.018 0.000 0.271 411 S C 0.953 175.542 174.600 -0.018 0.000 1.326 411 S CA -0.464 57.723 58.200 -0.023 0.000 1.024 411 S CB 0.952 64.133 63.200 -0.032 0.000 0.921 411 S HN 0.159 nan 8.310 nan 0.000 0.527 412 D N 1.089 121.478 120.400 -0.018 0.000 2.323 412 D HA 0.050 4.679 4.640 -0.018 0.000 0.209 412 D C 0.029 176.320 176.300 -0.014 0.000 0.973 412 D CA 0.558 54.550 54.000 -0.013 0.000 0.874 412 D CB -0.091 40.702 40.800 -0.012 0.000 0.930 412 D HN 0.561 nan 8.370 nan 0.000 0.521 413 D N 0.902 121.288 120.400 -0.023 0.000 2.359 413 D HA -0.034 4.595 4.640 -0.018 0.000 0.250 413 D C 1.297 177.583 176.300 -0.024 0.000 1.264 413 D CA -0.272 53.712 54.000 -0.027 0.000 0.911 413 D CB 0.620 41.393 40.800 -0.046 0.000 1.056 413 D HN -0.081 nan 8.370 nan 0.000 0.499 414 I N 4.741 125.305 120.570 -0.009 0.000 2.423 414 I HA -0.239 3.920 4.170 -0.018 0.000 0.254 414 I C 1.891 178.008 176.117 0.000 0.000 1.151 414 I CA 0.989 62.289 61.300 -0.000 0.000 1.421 414 I CB -0.251 37.756 38.000 0.012 0.000 1.079 414 I HN 0.434 nan 8.210 nan 0.000 0.431 415 N N 0.117 118.814 118.700 -0.005 0.000 2.188 415 N HA -0.119 4.610 4.740 -0.018 0.000 0.184 415 N C 1.844 177.313 175.510 -0.068 0.000 1.018 415 N CA 1.562 54.608 53.050 -0.007 0.000 0.858 415 N CB 0.023 38.509 38.487 -0.002 0.000 0.989 415 N HN 0.292 nan 8.380 nan 0.000 0.426 416 V N 0.699 120.558 119.914 -0.092 0.000 2.358 416 V HA -0.143 3.966 4.120 -0.018 0.000 0.246 416 V C 2.533 178.589 176.094 -0.064 0.000 1.047 416 V CA 0.954 63.187 62.300 -0.111 0.000 1.035 416 V CB -0.288 31.476 31.823 -0.099 0.000 0.658 416 V HN 0.081 nan 8.190 nan 0.000 0.452 417 V N -0.055 119.837 119.914 -0.038 0.000 2.261 417 V HA -0.291 3.818 4.120 -0.018 0.000 0.246 417 V C 2.581 178.670 176.094 -0.008 0.000 1.047 417 V CA 2.714 65.002 62.300 -0.020 0.000 1.015 417 V CB -1.157 30.660 31.823 -0.010 0.000 0.642 417 V HN 0.603 nan 8.190 nan 0.000 0.446 418 T N -1.092 113.464 114.554 0.003 0.000 2.684 418 T HA -0.268 4.071 4.350 -0.018 0.000 0.267 418 T C 1.970 176.687 174.700 0.028 0.000 1.036 418 T CA 2.030 64.144 62.100 0.024 0.000 1.148 418 T CB -0.592 68.303 68.868 0.046 0.000 0.863 418 T HN 0.516 nan 8.240 nan 0.000 0.436 419 C N 1.414 120.723 119.300 0.014 0.000 2.432 419 C HA 0.060 4.509 4.460 -0.018 0.000 0.277 419 C C 3.259 178.253 174.990 0.008 0.000 1.249 419 C CA 0.460 59.489 59.018 0.018 0.000 1.725 419 C CB -1.417 26.292 27.740 -0.051 0.000 2.028 419 C HN 0.676 nan 8.230 nan 0.000 0.477 420 A N 0.215 123.027 122.820 -0.014 0.000 1.933 420 A HA 0.033 4.342 4.320 -0.018 0.000 0.218 420 A C 2.323 179.909 177.584 0.003 0.000 1.175 420 A CA 2.114 54.145 52.037 -0.010 0.000 0.628 420 A CB -0.807 18.180 19.000 -0.021 0.000 0.814 420 A HN 0.600 nan 8.150 nan 0.000 0.444 421 A N -0.498 122.326 122.820 0.006 0.000 1.898 421 A HA 0.154 4.463 4.320 -0.018 0.000 0.216 421 A C 2.411 180.007 177.584 0.019 0.000 1.181 421 A CA 1.849 53.891 52.037 0.009 0.000 0.620 421 A CB -1.349 17.656 19.000 0.009 0.000 0.819 421 A HN 0.705 nan 8.150 nan 0.000 0.442 422 G N 0.076 108.894 108.800 0.030 0.000 2.418 422 G HA2 -0.178 3.771 3.960 -0.018 0.000 0.217 422 G HA3 -0.178 3.771 3.960 -0.018 0.000 0.217 422 G C 1.519 176.446 174.900 0.045 0.000 1.158 422 G CA 1.144 46.269 45.100 0.042 0.000 0.771 422 G HN 0.480 nan 8.290 nan 0.000 0.545 423 I N 0.312 120.905 120.570 0.039 0.000 2.226 423 I HA -0.112 4.047 4.170 -0.018 0.000 0.245 423 I C 2.693 178.831 176.117 0.035 0.000 1.100 423 I CA 0.630 61.952 61.300 0.036 0.000 1.374 423 I CB -0.224 37.792 38.000 0.027 0.000 1.057 423 I HN 0.112 nan 8.210 nan 0.000 0.413 424 L N -0.221 121.018 121.223 0.028 0.000 2.083 424 L HA -0.224 4.105 4.340 -0.018 0.000 0.209 424 L C 2.757 179.663 176.870 0.061 0.000 1.083 424 L CA 1.316 56.174 54.840 0.029 0.000 0.752 424 L CB -0.557 41.511 42.059 0.014 0.000 0.899 424 L HN 0.251 nan 8.230 nan 0.000 0.433 425 S N 0.082 115.820 115.700 0.063 0.000 2.356 425 S HA -0.174 4.286 4.470 -0.018 0.000 0.223 425 S C 1.850 176.576 174.600 0.211 0.000 1.032 425 S CA 1.645 59.908 58.200 0.105 0.000 1.005 425 S CB -0.154 63.072 63.200 0.043 0.000 0.867 425 S HN 0.435 nan 8.310 nan 0.000 0.449 426 N N 1.302 120.076 118.700 0.123 0.000 2.216 426 N HA 0.077 4.806 4.740 -0.018 0.000 0.183 426 N C 1.693 177.232 175.510 0.049 0.000 1.017 426 N CA 0.914 54.020 53.050 0.093 0.000 0.861 426 N CB -0.556 37.966 38.487 0.060 0.000 0.986 426 N HN 0.404 nan 8.380 nan 0.000 0.428 427 L N 0.719 121.966 121.223 0.040 0.000 2.275 427 L HA -0.061 4.268 4.340 -0.018 0.000 0.215 427 L C 1.772 178.638 176.870 -0.007 0.000 1.119 427 L CA 1.140 55.984 54.840 0.006 0.000 0.790 427 L CB -0.598 41.462 42.059 0.001 0.000 0.919 427 L HN 0.293 nan 8.230 nan 0.000 0.443 428 T N -4.616 109.963 114.554 0.041 0.000 3.081 428 T HA -0.016 4.323 4.350 -0.018 0.000 0.250 428 T C 0.870 175.519 174.700 -0.084 0.000 1.100 428 T CA -0.361 61.755 62.100 0.027 0.000 1.038 428 T CB -0.654 68.288 68.868 0.124 0.000 0.962 428 T HN 0.233 nan 8.240 nan 0.000 0.516 429 C N 3.693 122.880 119.300 -0.189 0.000 2.663 429 C HA 0.235 4.684 4.460 -0.018 0.000 0.398 429 C C 0.824 175.676 174.990 -0.230 0.000 1.356 429 C CA -0.435 58.310 59.018 -0.455 0.000 1.629 429 C CB -2.183 25.367 27.740 -0.315 0.000 2.402 429 C HN 0.721 nan 8.230 nan 0.000 0.598 430 N N 3.349 121.926 118.700 -0.204 0.000 2.721 430 N HA -0.206 4.523 4.740 -0.018 0.000 0.249 430 N C -0.650 174.831 175.510 -0.049 0.000 1.072 430 N CA 1.164 54.167 53.050 -0.078 0.000 0.710 430 N CB -1.189 37.263 38.487 -0.059 0.000 0.993 430 N HN 0.907 nan 8.380 nan 0.000 0.547 431 N N 0.348 119.006 118.700 -0.070 0.000 2.648 431 N HA 0.060 4.789 4.740 -0.018 0.000 0.261 431 N C 1.021 176.447 175.510 -0.141 0.000 1.138 431 N CA -0.484 52.489 53.050 -0.128 0.000 0.804 431 N CB 0.337 38.738 38.487 -0.144 0.000 1.237 431 N HN 0.204 nan 8.380 nan 0.000 0.532 432 Y N 2.787 123.070 120.300 -0.029 0.000 2.207 432 Y HA -0.071 4.473 4.550 -0.010 0.000 0.287 432 Y C 1.570 177.438 175.900 -0.053 0.000 1.156 432 Y CA 1.276 59.362 58.100 -0.024 0.000 1.182 432 Y CB -0.228 38.263 38.460 0.051 0.000 0.979 432 Y HN 0.226 nan 8.280 nan 0.000 0.521 433 K N 0.443 120.468 120.400 -0.624 0.000 2.026 433 K HA -0.159 4.150 4.320 -0.018 0.000 0.208 433 K C 1.778 178.279 176.600 -0.165 0.000 1.048 433 K CA 1.628 57.714 56.287 -0.335 0.000 0.929 433 K CB -0.261 31.975 32.500 -0.440 0.000 0.713 433 K HN 0.331 nan 8.250 nan 0.000 0.439 434 N N 1.145 119.736 118.700 -0.181 0.000 2.188 434 N HA -0.122 4.607 4.740 -0.018 0.000 0.184 434 N C 1.429 176.869 175.510 -0.117 0.000 1.018 434 N CA 1.196 54.175 53.050 -0.118 0.000 0.858 434 N CB -0.067 38.360 38.487 -0.100 0.000 0.989 434 N HN 0.211 nan 8.380 nan 0.000 0.426 435 K N 0.295 120.590 120.400 -0.176 0.000 2.026 435 K HA -0.012 4.297 4.320 -0.018 0.000 0.208 435 K C 2.001 178.430 176.600 -0.285 0.000 1.048 435 K CA 0.919 57.026 56.287 -0.300 0.000 0.929 435 K CB -0.107 32.030 32.500 -0.605 0.000 0.713 435 K HN 0.103 nan 8.250 nan 0.000 0.439 436 M N 0.344 119.827 119.600 -0.195 0.000 2.073 436 M HA -0.198 4.271 4.480 -0.018 0.000 0.258 436 M C 2.439 178.740 176.300 0.001 0.000 1.070 436 M CA 1.639 56.935 55.300 -0.006 0.000 1.103 436 M CB -0.712 31.946 32.600 0.096 0.000 1.321 436 M HN 0.226 nan 8.290 nan 0.000 0.405 437 M N 0.279 119.867 119.600 -0.021 0.000 2.117 437 M HA -0.095 4.374 4.480 -0.018 0.000 0.262 437 M C 1.956 178.247 176.300 -0.014 0.000 1.065 437 M CA 1.606 56.898 55.300 -0.013 0.000 1.114 437 M CB -0.720 31.865 32.600 -0.025 0.000 1.361 437 M HN 0.021 nan 8.290 nan 0.000 0.408 438 V N -0.680 119.216 119.914 -0.029 0.000 2.343 438 V HA -0.334 3.776 4.120 -0.018 0.000 0.247 438 V C 2.496 178.587 176.094 -0.005 0.000 1.051 438 V CA 1.979 64.267 62.300 -0.021 0.000 1.036 438 V CB -1.084 30.723 31.823 -0.027 0.000 0.654 438 V HN 0.665 nan 8.190 nan 0.000 0.451 439 C N -0.520 118.785 119.300 0.007 0.000 2.429 439 C HA -0.183 4.267 4.460 -0.018 0.000 0.277 439 C C 2.831 177.846 174.990 0.040 0.000 1.262 439 C CA 0.946 59.991 59.018 0.044 0.000 1.733 439 C CB -1.099 26.707 27.740 0.111 0.000 2.010 439 C HN 0.602 nan 8.230 nan 0.000 0.483 440 Q N 0.456 120.278 119.800 0.036 0.000 2.226 440 Q HA -0.117 4.212 4.340 -0.018 0.000 0.204 440 Q C 1.696 177.707 176.000 0.018 0.000 0.975 440 Q CA 1.570 57.391 55.803 0.031 0.000 0.866 440 Q CB -0.126 28.630 28.738 0.029 0.000 0.915 440 Q HN 0.769 nan 8.270 nan 0.000 0.440 441 V N -3.784 116.135 119.914 0.008 0.000 3.249 441 V HA 0.506 4.615 4.120 -0.018 0.000 0.338 441 V C 0.791 176.880 176.094 -0.008 0.000 1.363 441 V CA 0.253 62.553 62.300 0.000 0.000 1.205 441 V CB -0.289 31.531 31.823 -0.006 0.000 1.164 441 V HN 0.317 nan 8.190 nan 0.000 0.458 442 G N -0.007 108.789 108.800 -0.007 0.000 2.160 442 G HA2 -0.202 3.748 3.960 -0.018 0.000 0.244 442 G HA3 -0.202 3.748 3.960 -0.018 0.000 0.244 442 G C 0.905 175.772 174.900 -0.054 0.000 1.022 442 G CA 0.299 45.380 45.100 -0.033 0.000 0.741 442 G HN 1.161 nan 8.290 nan 0.000 0.508 443 G N 0.123 108.906 108.800 -0.030 0.000 2.422 443 G HA2 -0.036 3.913 3.960 -0.018 0.000 0.218 443 G HA3 -0.036 3.913 3.960 -0.018 0.000 0.218 443 G C 1.746 176.621 174.900 -0.040 0.000 1.146 443 G CA 1.365 46.447 45.100 -0.030 0.000 0.769 443 G HN 0.470 nan 8.290 nan 0.000 0.547 444 I N 1.094 121.644 120.570 -0.032 0.000 2.127 444 I HA -0.161 3.998 4.170 -0.018 0.000 0.241 444 I C 2.516 178.568 176.117 -0.108 0.000 1.075 444 I CA 1.489 62.772 61.300 -0.028 0.000 1.334 444 I CB -1.202 36.816 38.000 0.030 0.000 1.040 444 I HN 0.359 nan 8.210 nan 0.000 0.405 445 E N 0.879 120.911 120.200 -0.280 0.000 2.058 445 E HA -0.234 4.105 4.350 -0.018 0.000 0.194 445 E C 2.272 178.750 176.600 -0.204 0.000 0.997 445 E CA 1.616 57.728 56.400 -0.480 0.000 0.801 445 E CB 0.046 29.246 29.700 -0.834 0.000 0.746 445 E HN 0.441 nan 8.360 nan 0.000 0.450 446 A N 0.936 123.674 122.820 -0.137 0.000 1.908 446 A HA -0.169 4.140 4.320 -0.018 0.000 0.218 446 A C 2.208 179.765 177.584 -0.045 0.000 1.181 446 A CA 1.246 53.240 52.037 -0.072 0.000 0.627 446 A CB -0.632 18.336 19.000 -0.053 0.000 0.818 446 A HN 0.309 nan 8.150 nan 0.000 0.445 447 L N -0.739 120.459 121.223 -0.041 0.000 2.156 447 L HA -0.118 4.211 4.340 -0.018 0.000 0.208 447 L C 2.474 179.340 176.870 -0.008 0.000 1.095 447 L CA 0.689 55.518 54.840 -0.020 0.000 0.770 447 L CB -0.378 41.672 42.059 -0.015 0.000 0.914 447 L HN 0.243 nan 8.230 nan 0.000 0.439 448 V N -0.191 119.717 119.914 -0.010 0.000 2.307 448 V HA -0.255 3.854 4.120 -0.018 0.000 0.245 448 V C 2.590 178.701 176.094 0.028 0.000 1.045 448 V CA 1.661 63.973 62.300 0.021 0.000 1.024 448 V CB -0.579 31.270 31.823 0.043 0.000 0.651 448 V HN 0.407 nan 8.190 nan 0.000 0.449 449 R N -0.277 120.231 120.500 0.013 0.000 2.096 449 R HA -0.148 4.181 4.340 -0.018 0.000 0.235 449 R C 2.382 178.691 176.300 0.015 0.000 1.127 449 R CA 1.906 58.019 56.100 0.021 0.000 0.968 449 R CB -0.748 29.555 30.300 0.006 0.000 0.861 449 R HN 0.496 nan 8.270 nan 0.000 0.440 450 T N 0.752 115.309 114.554 0.006 0.000 2.746 450 T HA -0.100 4.239 4.350 -0.018 0.000 0.267 450 T C 1.999 176.708 174.700 0.014 0.000 1.039 450 T CA 1.306 63.410 62.100 0.006 0.000 1.142 450 T CB -0.152 68.716 68.868 0.001 0.000 0.866 450 T HN 0.002 nan 8.240 nan 0.000 0.444 451 V N 1.444 121.368 119.914 0.017 0.000 2.343 451 V HA -0.117 3.992 4.120 -0.018 0.000 0.247 451 V C 2.471 178.581 176.094 0.027 0.000 1.051 451 V CA 1.452 63.765 62.300 0.023 0.000 1.036 451 V CB -0.652 31.188 31.823 0.027 0.000 0.654 451 V HN 0.437 nan 8.190 nan 0.000 0.451 452 L N -0.635 120.606 121.223 0.031 0.000 2.046 452 L HA -0.173 4.156 4.340 -0.018 0.000 0.208 452 L C 2.765 179.649 176.870 0.023 0.000 1.077 452 L CA 1.680 56.539 54.840 0.031 0.000 0.747 452 L CB -0.553 41.530 42.059 0.040 0.000 0.896 452 L HN 0.232 nan 8.230 nan 0.000 0.432 453 R N -0.196 120.316 120.500 0.019 0.000 2.092 453 R HA -0.081 4.248 4.340 -0.018 0.000 0.231 453 R C 2.425 178.734 176.300 0.015 0.000 1.119 453 R CA 1.135 57.244 56.100 0.015 0.000 0.970 453 R CB -0.448 29.858 30.300 0.011 0.000 0.864 453 R HN 0.331 nan 8.270 nan 0.000 0.440 454 A N 0.843 123.673 122.820 0.018 0.000 1.972 454 A HA 0.044 4.353 4.320 -0.018 0.000 0.219 454 A C 1.544 179.140 177.584 0.021 0.000 1.169 454 A CA 1.486 53.535 52.037 0.020 0.000 0.635 454 A CB -0.824 18.189 19.000 0.022 0.000 0.810 454 A HN 0.494 nan 8.150 nan 0.000 0.446 455 G N 0.384 109.196 108.800 0.020 0.000 2.591 455 G HA2 -0.420 3.529 3.960 -0.018 0.000 0.298 455 G HA3 -0.420 3.529 3.960 -0.018 0.000 0.298 455 G C 0.380 175.294 174.900 0.022 0.000 1.195 455 G CA 0.990 46.102 45.100 0.019 0.000 0.989 455 G HN 1.034 nan 8.290 nan 0.000 0.551 456 D N 1.107 121.520 120.400 0.022 0.000 2.319 456 D HA 0.110 4.739 4.640 -0.018 0.000 0.230 456 D C 1.122 177.445 176.300 0.039 0.000 1.094 456 D CA 0.074 54.090 54.000 0.028 0.000 0.856 456 D CB -0.227 40.587 40.800 0.023 0.000 0.915 456 D HN 0.584 nan 8.370 nan 0.000 0.517 457 R N 1.118 121.639 120.500 0.035 0.000 2.325 457 R HA 0.166 4.495 4.340 -0.018 0.000 0.323 457 R C 0.474 176.798 176.300 0.041 0.000 1.177 457 R CA -0.035 56.087 56.100 0.037 0.000 1.018 457 R CB 0.357 30.676 30.300 0.031 0.000 1.070 457 R HN 0.254 nan 8.270 nan 0.000 0.495 458 E N 1.370 121.601 120.200 0.052 0.000 2.418 458 E HA -0.155 4.184 4.350 -0.018 0.000 0.197 458 E C 0.708 177.333 176.600 0.043 0.000 1.026 458 E CA 0.791 57.224 56.400 0.055 0.000 0.862 458 E CB 0.217 29.967 29.700 0.084 0.000 0.799 458 E HN 0.606 nan 8.360 nan 0.000 0.518 459 D N 0.315 120.737 120.400 0.036 0.000 2.347 459 D HA -0.099 4.530 4.640 -0.018 0.000 0.215 459 D C 1.599 177.921 176.300 0.036 0.000 0.976 459 D CA 0.583 54.604 54.000 0.035 0.000 0.884 459 D CB 0.007 40.828 40.800 0.036 0.000 0.915 459 D HN 0.308 nan 8.370 nan 0.000 0.526 460 I N 0.638 121.228 120.570 0.033 0.000 3.194 460 I HA -0.099 4.060 4.170 -0.018 0.000 0.271 460 I C 2.362 178.493 176.117 0.024 0.000 1.150 460 I CA 1.000 62.317 61.300 0.028 0.000 1.440 460 I CB -0.209 37.806 38.000 0.025 0.000 1.276 460 I HN -0.007 nan 8.210 nan 0.000 0.457 461 T N -1.386 113.185 114.554 0.028 0.000 2.821 461 T HA -0.176 4.163 4.350 -0.018 0.000 0.267 461 T C 1.655 176.369 174.700 0.023 0.000 1.046 461 T CA 1.279 63.394 62.100 0.025 0.000 1.139 461 T CB -0.329 68.558 68.868 0.030 0.000 0.871 461 T HN 0.315 nan 8.240 nan 0.000 0.454 462 E N 1.977 122.196 120.200 0.030 0.000 2.023 462 E HA -0.110 4.229 4.350 -0.018 0.000 0.196 462 E C -0.313 176.293 176.600 0.011 0.000 1.003 462 E CA 1.481 57.898 56.400 0.029 0.000 0.809 462 E CB -0.605 29.120 29.700 0.042 0.000 0.755 462 E HN 0.449 nan 8.360 nan 0.000 0.449 463 P HA -0.133 nan 4.420 nan 0.000 0.217 463 P C 1.115 178.402 177.300 -0.021 0.000 1.150 463 P CA 1.798 64.898 63.100 0.001 0.000 0.832 463 P CB -0.061 31.651 31.700 0.019 0.000 0.787 464 A N 0.291 123.106 122.820 -0.009 0.000 1.902 464 A HA -0.143 4.166 4.320 -0.018 0.000 0.217 464 A C 2.309 179.875 177.584 -0.030 0.000 1.181 464 A CA 1.404 53.432 52.037 -0.015 0.000 0.623 464 A CB -1.318 17.681 19.000 -0.001 0.000 0.818 464 A HN 0.042 nan 8.150 nan 0.000 0.443 465 I N -0.377 120.178 120.570 -0.025 0.000 2.286 465 I HA -0.209 3.950 4.170 -0.018 0.000 0.245 465 I C 2.582 178.648 176.117 -0.085 0.000 1.104 465 I CA 0.922 62.204 61.300 -0.030 0.000 1.397 465 I CB -1.555 36.443 38.000 -0.004 0.000 1.072 465 I HN 0.358 nan 8.210 nan 0.000 0.417 466 C N 0.957 120.184 119.300 -0.120 0.000 2.413 466 C HA -0.130 4.319 4.460 -0.018 0.000 0.277 466 C C 3.159 177.819 174.990 -0.551 0.000 1.265 466 C CA 0.986 59.837 59.018 -0.278 0.000 1.752 466 C CB -1.191 26.433 27.740 -0.193 0.000 1.998 466 C HN 0.591 nan 8.230 nan 0.000 0.489 467 A N 0.169 122.809 122.820 -0.300 0.000 1.902 467 A HA -0.102 4.207 4.320 -0.018 0.000 0.217 467 A C 2.091 179.604 177.584 -0.118 0.000 1.181 467 A CA 1.437 53.355 52.037 -0.199 0.000 0.623 467 A CB -0.592 18.372 19.000 -0.059 0.000 0.818 467 A HN 0.609 nan 8.150 nan 0.000 0.443 468 L N -1.023 120.152 121.223 -0.081 0.000 2.083 468 L HA -0.169 4.160 4.340 -0.018 0.000 0.209 468 L C 2.770 179.638 176.870 -0.002 0.000 1.083 468 L CA 1.598 56.427 54.840 -0.018 0.000 0.752 468 L CB -0.437 41.619 42.059 -0.004 0.000 0.899 468 L HN 0.487 nan 8.230 nan 0.000 0.433 469 R N -0.241 120.224 120.500 -0.059 0.000 2.073 469 R HA -0.191 4.138 4.340 -0.018 0.000 0.234 469 R C 2.252 178.616 176.300 0.107 0.000 1.134 469 R CA 1.915 58.015 56.100 -0.000 0.000 0.952 469 R CB -0.379 29.895 30.300 -0.045 0.000 0.850 469 R HN 0.479 nan 8.270 nan 0.000 0.433 470 H N -0.026 119.078 119.070 0.058 0.000 2.353 470 H HA -0.097 4.448 4.556 -0.018 0.000 0.300 470 H C 2.105 177.480 175.328 0.079 0.000 1.090 470 H CA 1.336 57.419 56.048 0.058 0.000 1.327 470 H CB -0.015 29.766 29.762 0.031 0.000 1.383 470 H HN 0.203 nan 8.280 nan 0.000 0.508 471 L N 0.733 122.065 121.223 0.183 0.000 2.465 471 L HA -0.064 4.265 4.340 -0.018 0.000 0.224 471 L C 1.607 178.660 176.870 0.305 0.000 1.145 471 L CA 1.030 55.975 54.840 0.175 0.000 0.834 471 L CB -0.110 42.010 42.059 0.101 0.000 0.944 471 L HN 0.399 nan 8.230 nan 0.000 0.451 472 T N -4.164 110.513 114.554 0.205 0.000 3.223 472 T HA 0.230 4.569 4.350 -0.018 0.000 0.259 472 T C 0.356 175.126 174.700 0.117 0.000 1.015 472 T CA -0.076 62.111 62.100 0.146 0.000 0.908 472 T CB -0.072 68.849 68.868 0.088 0.000 1.054 472 T HN 0.225 nan 8.240 nan 0.000 0.567 473 S N 0.579 116.389 115.700 0.183 0.000 2.550 473 S HA 0.564 5.023 4.470 -0.018 0.000 0.270 473 S C -0.453 174.261 174.600 0.191 0.000 1.145 473 S CA -1.214 57.064 58.200 0.130 0.000 0.852 473 S CB 1.472 64.740 63.200 0.114 0.000 1.119 473 S HN 0.329 nan 8.310 nan 0.000 0.465 474 R N 1.655 122.213 120.500 0.097 0.000 3.264 474 R HA -0.169 4.160 4.340 -0.018 0.000 0.251 474 R C -0.160 176.253 176.300 0.189 0.000 0.971 474 R CA 1.550 57.712 56.100 0.104 0.000 0.658 474 R CB -2.667 27.696 30.300 0.105 0.000 1.095 474 R HN 1.048 nan 8.270 nan 0.000 0.443 475 H N -4.913 114.179 119.070 0.035 0.000 3.037 475 H HA 0.256 4.801 4.556 -0.018 0.000 0.336 475 H C 0.601 175.936 175.328 0.013 0.000 1.323 475 H CA -0.091 55.982 56.048 0.041 0.000 1.159 475 H CB 0.601 30.436 29.762 0.122 0.000 1.882 475 H HN -0.011 nan 8.280 nan 0.000 0.535 476 Q N 0.801 120.617 119.800 0.026 0.000 2.173 476 Q HA -0.152 4.177 4.340 -0.018 0.000 0.208 476 Q C 1.755 177.688 176.000 -0.112 0.000 0.989 476 Q CA 2.952 58.731 55.803 -0.040 0.000 0.872 476 Q CB -1.220 27.534 28.738 0.028 0.000 0.909 476 Q HN 0.930 nan 8.270 nan 0.000 0.420 477 E N -0.735 119.387 120.200 -0.131 0.000 2.437 477 E HA 0.679 5.018 4.350 -0.018 0.000 0.195 477 E C 1.906 178.285 176.600 -0.368 0.000 1.029 477 E CA 0.850 57.181 56.400 -0.114 0.000 0.948 477 E CB -0.538 29.256 29.700 0.156 0.000 1.082 477 E HN 0.921 nan 8.360 nan 0.000 0.456 478 A N 0.651 122.945 122.820 -0.876 0.000 1.933 478 A HA -0.193 4.116 4.320 -0.018 0.000 0.218 478 A C 2.121 179.595 177.584 -0.183 0.000 1.175 478 A CA 1.758 53.460 52.037 -0.559 0.000 0.628 478 A CB -0.147 18.589 19.000 -0.441 0.000 0.814 478 A HN 0.565 nan 8.150 nan 0.000 0.444 479 E N -0.660 119.445 120.200 -0.158 0.000 2.077 479 E HA -0.226 4.113 4.350 -0.018 0.000 0.193 479 E C 2.046 178.615 176.600 -0.053 0.000 0.989 479 E CA 1.476 57.826 56.400 -0.084 0.000 0.800 479 E CB -0.223 29.430 29.700 -0.078 0.000 0.746 479 E HN 0.603 nan 8.360 nan 0.000 0.452 480 M N 0.699 120.272 119.600 -0.045 0.000 2.159 480 M HA -0.137 4.332 4.480 -0.018 0.000 0.263 480 M C 2.119 178.427 176.300 0.014 0.000 1.063 480 M CA 2.005 57.298 55.300 -0.011 0.000 1.110 480 M CB -0.542 32.063 32.600 0.009 0.000 1.374 480 M HN 0.165 nan 8.290 nan 0.000 0.411 481 A N 0.331 123.170 122.820 0.032 0.000 1.898 481 A HA -0.210 4.099 4.320 -0.018 0.000 0.216 481 A C 1.947 179.558 177.584 0.045 0.000 1.181 481 A CA 1.762 53.840 52.037 0.068 0.000 0.620 481 A CB -0.773 18.305 19.000 0.130 0.000 0.819 481 A HN 0.732 nan 8.150 nan 0.000 0.442 482 Q N -0.229 119.582 119.800 0.019 0.000 2.135 482 Q HA -0.149 4.180 4.340 -0.018 0.000 0.204 482 Q C 1.849 177.849 176.000 -0.001 0.000 0.981 482 Q CA 1.554 57.364 55.803 0.012 0.000 0.856 482 Q CB -0.170 28.566 28.738 -0.005 0.000 0.902 482 Q HN 0.640 nan 8.270 nan 0.000 0.425 483 N N -0.141 118.550 118.700 -0.015 0.000 2.250 483 N HA -0.049 4.680 4.740 -0.018 0.000 0.181 483 N C 1.609 177.094 175.510 -0.041 0.000 1.017 483 N CA 1.060 54.089 53.050 -0.035 0.000 0.866 483 N CB -0.026 38.434 38.487 -0.045 0.000 0.985 483 N HN 0.202 nan 8.380 nan 0.000 0.429 484 A N 0.957 123.777 122.820 -0.001 0.000 1.930 484 A HA -0.059 4.250 4.320 -0.018 0.000 0.217 484 A C 2.469 180.097 177.584 0.072 0.000 1.175 484 A CA 0.993 53.057 52.037 0.046 0.000 0.627 484 A CB -0.660 18.426 19.000 0.143 0.000 0.815 484 A HN 0.080 nan 8.150 nan 0.000 0.443 485 V N 0.068 120.014 119.914 0.053 0.000 2.392 485 V HA -0.267 3.842 4.120 -0.018 0.000 0.249 485 V C 2.648 178.746 176.094 0.007 0.000 1.059 485 V CA 2.359 64.689 62.300 0.050 0.000 1.051 485 V CB -0.797 31.050 31.823 0.041 0.000 0.658 485 V HN 0.679 nan 8.190 nan 0.000 0.455 486 R N -0.132 120.349 120.500 -0.031 0.000 2.062 486 R HA -0.027 4.302 4.340 -0.018 0.000 0.229 486 R C 2.235 178.428 176.300 -0.178 0.000 1.128 486 R CA 1.259 57.321 56.100 -0.063 0.000 0.960 486 R CB -0.204 30.067 30.300 -0.049 0.000 0.855 486 R HN 0.440 nan 8.270 nan 0.000 0.432 487 L N 0.092 121.163 121.223 -0.254 0.000 2.362 487 L HA -0.113 4.216 4.340 -0.018 0.000 0.219 487 L C 1.198 177.547 176.870 -0.869 0.000 1.134 487 L CA 0.691 55.247 54.840 -0.472 0.000 0.807 487 L CB -0.294 41.512 42.059 -0.421 0.000 0.927 487 L HN 0.303 nan 8.230 nan 0.000 0.447 488 H N -0.839 117.959 119.070 -0.452 0.000 2.524 488 H HA 0.107 4.652 4.556 -0.019 0.000 0.299 488 H C -0.157 174.958 175.328 -0.354 0.000 1.074 488 H CA -0.373 55.380 56.048 -0.492 0.000 1.115 488 H CB -0.134 29.533 29.762 -0.160 0.000 1.522 488 H HN 0.287 nan 8.280 nan 0.000 0.543 489 Y N -1.333 119.005 120.300 0.065 0.000 4.079 489 Y HA -0.268 4.272 4.550 -0.017 0.000 0.223 489 Y C 1.807 177.738 175.900 0.053 0.000 1.155 489 Y CA 0.430 58.559 58.100 0.047 0.000 1.805 489 Y CB -1.837 36.649 38.460 0.043 0.000 1.571 489 Y HN 0.381 nan 8.280 nan 0.000 0.654 490 G N -0.360 108.510 108.800 0.117 0.000 2.939 490 G HA2 0.126 4.076 3.960 -0.018 0.000 0.210 490 G HA3 0.126 4.076 3.960 -0.018 0.000 0.210 490 G C 1.340 176.286 174.900 0.077 0.000 1.160 490 G CA 0.442 45.601 45.100 0.098 0.000 0.770 490 G HN 0.437 nan 8.290 nan 0.000 0.543 491 L N 0.611 121.876 121.223 0.069 0.000 2.042 491 L HA -0.056 4.273 4.340 -0.018 0.000 0.210 491 L C 0.024 176.934 176.870 0.066 0.000 1.076 491 L CA 1.307 56.183 54.840 0.061 0.000 0.749 491 L CB -1.264 40.827 42.059 0.053 0.000 0.893 491 L HN 0.131 nan 8.230 nan 0.000 0.432 492 P HA -0.165 nan 4.420 nan 0.000 0.215 492 P C 1.991 179.328 177.300 0.062 0.000 1.157 492 P CA 1.151 64.290 63.100 0.064 0.000 0.868 492 P CB 0.078 31.814 31.700 0.060 0.000 0.788 493 V N -0.506 119.446 119.914 0.064 0.000 2.427 493 V HA -0.163 3.946 4.120 -0.018 0.000 0.248 493 V C 2.124 178.253 176.094 0.059 0.000 1.051 493 V CA 1.626 63.960 62.300 0.057 0.000 1.048 493 V CB -0.842 31.014 31.823 0.054 0.000 0.666 493 V HN -0.113 nan 8.190 nan 0.000 0.456 494 V N -0.168 119.781 119.914 0.058 0.000 2.295 494 V HA -0.211 3.898 4.120 -0.018 0.000 0.246 494 V C 2.480 178.609 176.094 0.059 0.000 1.049 494 V CA 2.219 64.550 62.300 0.052 0.000 1.024 494 V CB -0.449 31.403 31.823 0.049 0.000 0.648 494 V HN 0.459 nan 8.190 nan 0.000 0.447 495 V N 0.210 120.167 119.914 0.072 0.000 2.358 495 V HA -0.231 3.878 4.120 -0.018 0.000 0.246 495 V C 2.938 179.127 176.094 0.159 0.000 1.047 495 V CA 2.380 64.736 62.300 0.092 0.000 1.035 495 V CB -1.201 30.684 31.823 0.103 0.000 0.658 495 V HN 0.675 nan 8.190 nan 0.000 0.452 496 K N 0.198 120.691 120.400 0.154 0.000 2.103 496 K HA -0.127 4.182 4.320 -0.018 0.000 0.207 496 K C 1.949 178.668 176.600 0.197 0.000 1.048 496 K CA 2.012 58.418 56.287 0.199 0.000 0.930 496 K CB -1.102 31.444 32.500 0.076 0.000 0.716 496 K HN 0.555 nan 8.250 nan 0.000 0.444 497 L N 0.269 121.550 121.223 0.096 0.000 2.450 497 L HA -0.037 4.292 4.340 -0.018 0.000 0.224 497 L C 2.377 179.248 176.870 0.001 0.000 1.149 497 L CA 0.522 55.390 54.840 0.047 0.000 0.816 497 L CB -0.333 41.747 42.059 0.034 0.000 0.932 497 L HN 0.301 nan 8.230 nan 0.000 0.449 498 L N -1.422 119.780 121.223 -0.035 0.000 2.395 498 L HA -0.066 4.263 4.340 -0.018 0.000 0.218 498 L C 0.599 177.282 176.870 -0.312 0.000 1.130 498 L CA 0.198 54.926 54.840 -0.185 0.000 0.826 498 L CB -0.377 41.521 42.059 -0.269 0.000 0.941 498 L HN 0.318 nan 8.230 nan 0.000 0.451 499 H N -1.439 117.590 119.070 -0.068 0.000 2.508 499 H HA 0.302 4.847 4.556 -0.018 0.000 0.344 499 H C -2.136 173.116 175.328 -0.126 0.000 1.192 499 H CA -2.044 53.949 56.048 -0.091 0.000 1.290 499 H CB 0.090 29.816 29.762 -0.060 0.000 1.571 499 H HN -0.208 nan 8.280 nan 0.000 0.555 500 P HA -0.047 nan 4.420 nan 0.000 0.269 500 P C -1.691 175.572 177.300 -0.061 0.000 1.217 500 P CA -0.794 62.241 63.100 -0.108 0.000 0.783 500 P CB 0.314 31.953 31.700 -0.101 0.000 0.898 501 P HA 0.032 nan 4.420 nan 0.000 0.253 501 P C -0.443 176.690 177.300 -0.277 0.000 1.281 501 P CA 0.303 63.299 63.100 -0.173 0.000 0.792 501 P CB 0.184 31.826 31.700 -0.097 0.000 1.193 502 S N 0.842 116.426 115.700 -0.195 0.000 2.552 502 S HA 0.037 4.496 4.470 -0.018 0.000 0.289 502 S C 0.524 174.922 174.600 -0.336 0.000 1.304 502 S CA 0.063 58.161 58.200 -0.170 0.000 1.063 502 S CB 0.014 63.153 63.200 -0.103 0.000 0.848 502 S HN 0.297 nan 8.310 nan 0.000 0.499 503 H N 0.510 119.517 119.070 -0.106 0.000 2.517 503 H HA 0.110 4.655 4.556 -0.018 0.000 0.346 503 H C 0.591 175.871 175.328 -0.080 0.000 1.222 503 H CA -0.603 55.370 56.048 -0.126 0.000 1.314 503 H CB 0.485 30.239 29.762 -0.014 0.000 1.609 503 H HN 0.801 nan 8.280 nan 0.000 0.571 504 W N 0.780 122.171 121.300 0.152 0.000 2.305 504 W HA -0.134 4.515 4.660 -0.019 0.000 0.308 504 W C -0.712 175.862 176.519 0.091 0.000 1.226 504 W CA 0.743 58.148 57.345 0.099 0.000 1.253 504 W CB -1.476 28.043 29.460 0.097 0.000 1.146 504 W HN 0.619 nan 8.180 nan 0.000 0.507 505 P HA -0.228 nan 4.420 nan 0.000 0.215 505 P C 1.725 179.124 177.300 0.165 0.000 1.157 505 P CA 1.444 64.672 63.100 0.212 0.000 0.868 505 P CB -0.295 31.498 31.700 0.154 0.000 0.788 506 L N -0.829 120.480 121.223 0.143 0.000 2.056 506 L HA -0.096 4.233 4.340 -0.018 0.000 0.207 506 L C 2.151 179.074 176.870 0.088 0.000 1.078 506 L CA 1.686 56.583 54.840 0.095 0.000 0.749 506 L CB -1.224 40.880 42.059 0.076 0.000 0.901 506 L HN -0.115 nan 8.230 nan 0.000 0.433 507 I N -0.311 120.318 120.570 0.098 0.000 2.226 507 I HA -0.329 3.830 4.170 -0.018 0.000 0.245 507 I C 2.573 178.783 176.117 0.155 0.000 1.100 507 I CA 1.632 62.985 61.300 0.090 0.000 1.374 507 I CB -0.461 37.569 38.000 0.050 0.000 1.057 507 I HN 0.359 nan 8.210 nan 0.000 0.413 508 K N 1.575 122.107 120.400 0.219 0.000 2.032 508 K HA -0.235 4.074 4.320 -0.018 0.000 0.209 508 K C 2.203 178.875 176.600 0.120 0.000 1.048 508 K CA 1.817 58.213 56.287 0.182 0.000 0.927 508 K CB -0.166 32.441 32.500 0.179 0.000 0.712 508 K HN 0.285 nan 8.250 nan 0.000 0.441 509 A N 0.531 123.412 122.820 0.102 0.000 1.902 509 A HA -0.124 4.185 4.320 -0.018 0.000 0.217 509 A C 2.185 179.801 177.584 0.052 0.000 1.181 509 A CA 2.153 54.230 52.037 0.066 0.000 0.623 509 A CB -0.983 18.045 19.000 0.045 0.000 0.818 509 A HN 0.492 nan 8.150 nan 0.000 0.443 510 T N -0.429 114.157 114.554 0.054 0.000 2.821 510 T HA -0.097 4.242 4.350 -0.018 0.000 0.267 510 T C 1.855 176.583 174.700 0.047 0.000 1.046 510 T CA 1.448 63.573 62.100 0.042 0.000 1.139 510 T CB -0.362 68.525 68.868 0.032 0.000 0.871 510 T HN 0.147 nan 8.240 nan 0.000 0.454 511 V N 1.459 121.410 119.914 0.062 0.000 2.343 511 V HA -0.113 3.996 4.120 -0.018 0.000 0.247 511 V C 2.855 178.986 176.094 0.062 0.000 1.051 511 V CA 2.005 64.343 62.300 0.064 0.000 1.036 511 V CB -1.300 30.575 31.823 0.087 0.000 0.654 511 V HN 0.596 nan 8.190 nan 0.000 0.451 512 G N -0.211 108.629 108.800 0.067 0.000 2.418 512 G HA2 -0.259 3.690 3.960 -0.018 0.000 0.217 512 G HA3 -0.259 3.690 3.960 -0.018 0.000 0.217 512 G C 1.572 176.507 174.900 0.058 0.000 1.158 512 G CA 1.166 46.306 45.100 0.067 0.000 0.771 512 G HN 0.451 nan 8.290 nan 0.000 0.545 513 L N 0.726 121.978 121.223 0.048 0.000 2.056 513 L HA 0.131 4.460 4.340 -0.018 0.000 0.207 513 L C 2.615 179.512 176.870 0.044 0.000 1.078 513 L CA 1.297 56.162 54.840 0.042 0.000 0.749 513 L CB -0.464 41.612 42.059 0.029 0.000 0.901 513 L HN 0.258 nan 8.230 nan 0.000 0.433 514 I N -0.613 119.983 120.570 0.044 0.000 2.286 514 I HA -0.291 3.868 4.170 -0.018 0.000 0.248 514 I C 2.723 178.865 176.117 0.042 0.000 1.115 514 I CA 1.285 62.611 61.300 0.043 0.000 1.392 514 I CB -0.338 37.686 38.000 0.040 0.000 1.065 514 I HN 0.332 nan 8.210 nan 0.000 0.418 515 R N 1.137 121.662 120.500 0.043 0.000 2.091 515 R HA -0.205 4.124 4.340 -0.018 0.000 0.238 515 R C 2.066 178.388 176.300 0.036 0.000 1.136 515 R CA 1.986 58.107 56.100 0.036 0.000 0.959 515 R CB -0.118 30.208 30.300 0.044 0.000 0.856 515 R HN 0.357 nan 8.270 nan 0.000 0.437 516 N N 0.609 119.336 118.700 0.045 0.000 2.142 516 N HA -0.127 4.603 4.740 -0.018 0.000 0.186 516 N C 1.845 177.379 175.510 0.041 0.000 1.023 516 N CA 1.166 54.243 53.050 0.045 0.000 0.852 516 N CB -0.302 38.220 38.487 0.059 0.000 0.998 516 N HN 0.239 nan 8.380 nan 0.000 0.424 517 L N 0.633 121.882 121.223 0.045 0.000 2.079 517 L HA -0.097 4.232 4.340 -0.018 0.000 0.210 517 L C 2.166 179.072 176.870 0.061 0.000 1.081 517 L CA 1.079 55.945 54.840 0.045 0.000 0.752 517 L CB -0.531 41.555 42.059 0.046 0.000 0.896 517 L HN 0.130 nan 8.230 nan 0.000 0.433 518 A N -0.180 122.686 122.820 0.076 0.000 2.172 518 A HA -0.090 4.219 4.320 -0.018 0.000 0.216 518 A C 2.192 179.879 177.584 0.172 0.000 1.154 518 A CA 0.944 53.061 52.037 0.133 0.000 0.701 518 A CB -0.558 18.473 19.000 0.052 0.000 0.789 518 A HN 0.402 nan 8.150 nan 0.000 0.465 519 L N -1.112 120.156 121.223 0.076 0.000 2.275 519 L HA -0.090 4.239 4.340 -0.018 0.000 0.215 519 L C 1.334 178.212 176.870 0.013 0.000 1.119 519 L CA 0.139 55.006 54.840 0.045 0.000 0.790 519 L CB -0.411 41.654 42.059 0.009 0.000 0.919 519 L HN 0.527 nan 8.230 nan 0.000 0.443 520 C N 2.289 121.581 119.300 -0.012 0.000 2.281 520 C HA 0.260 4.709 4.460 -0.018 0.000 0.336 520 C C -0.373 174.462 174.990 -0.259 0.000 1.217 520 C CA -2.008 56.954 59.018 -0.093 0.000 1.730 520 C CB 0.419 28.122 27.740 -0.061 0.000 2.338 520 C HN 0.135 nan 8.230 nan 0.000 0.521 521 P HA -0.147 nan 4.420 nan 0.000 0.217 521 P C 1.306 178.300 177.300 -0.509 0.000 1.148 521 P CA 2.311 64.911 63.100 -0.833 0.000 0.828 521 P CB 0.025 31.465 31.700 -0.433 0.000 0.783 522 A N -0.387 122.286 122.820 -0.245 0.000 2.178 522 A HA -0.133 4.176 4.320 -0.018 0.000 0.218 522 A C 1.920 179.457 177.584 -0.078 0.000 1.157 522 A CA 1.263 53.222 52.037 -0.128 0.000 0.689 522 A CB -1.012 17.934 19.000 -0.090 0.000 0.787 522 A HN 0.152 nan 8.150 nan 0.000 0.465 523 N N -1.083 117.570 118.700 -0.078 0.000 2.299 523 N HA 0.009 4.738 4.740 -0.018 0.000 0.187 523 N C 1.048 176.637 175.510 0.132 0.000 1.099 523 N CA 0.333 53.398 53.050 0.025 0.000 0.867 523 N CB -0.262 38.249 38.487 0.041 0.000 0.974 523 N HN 0.509 nan 8.380 nan 0.000 0.477 524 H N 1.426 120.494 119.070 -0.003 0.000 2.267 524 H HA 0.009 4.554 4.556 -0.019 0.000 0.297 524 H C 1.962 177.294 175.328 0.006 0.000 1.080 524 H CA 1.629 57.676 56.048 -0.000 0.000 1.278 524 H CB -0.551 29.208 29.762 -0.004 0.000 1.365 524 H HN 0.207 nan 8.280 nan 0.000 0.489 525 A N 0.824 123.731 122.820 0.144 0.000 1.873 525 A HA -0.066 4.243 4.320 -0.018 0.000 0.215 525 A C -0.023 177.598 177.584 0.061 0.000 1.186 525 A CA 1.431 53.517 52.037 0.080 0.000 0.616 525 A CB -1.368 17.665 19.000 0.056 0.000 0.823 525 A HN 0.341 nan 8.150 nan 0.000 0.442 526 P HA -0.152 nan 4.420 nan 0.000 0.216 526 P C 1.456 178.788 177.300 0.053 0.000 1.153 526 P CA 0.930 64.058 63.100 0.047 0.000 0.858 526 P CB -0.135 31.589 31.700 0.040 0.000 0.789 527 L N -1.273 119.987 121.223 0.062 0.000 2.093 527 L HA -0.146 4.183 4.340 -0.018 0.000 0.208 527 L C 2.796 179.696 176.870 0.050 0.000 1.085 527 L CA 1.357 56.232 54.840 0.058 0.000 0.755 527 L CB -0.526 41.570 42.059 0.063 0.000 0.904 527 L HN -0.087 nan 8.230 nan 0.000 0.435 528 R N 0.538 121.066 120.500 0.048 0.000 2.066 528 R HA -0.185 4.144 4.340 -0.018 0.000 0.232 528 R C 2.418 178.742 176.300 0.039 0.000 1.131 528 R CA 1.795 57.918 56.100 0.038 0.000 0.955 528 R CB -0.244 30.076 30.300 0.034 0.000 0.851 528 R HN 0.357 nan 8.270 nan 0.000 0.432 529 E N 0.740 120.963 120.200 0.039 0.000 2.209 529 E HA -0.183 4.156 4.350 -0.018 0.000 0.196 529 E C 1.718 178.340 176.600 0.037 0.000 0.993 529 E CA 1.304 57.725 56.400 0.035 0.000 0.819 529 E CB -0.407 29.313 29.700 0.033 0.000 0.745 529 E HN 0.417 nan 8.360 nan 0.000 0.477 530 Q N -1.396 118.431 119.800 0.045 0.000 2.403 530 Q HA 0.226 4.555 4.340 -0.018 0.000 0.203 530 Q C 1.371 177.409 176.000 0.065 0.000 0.932 530 Q CA 0.624 56.458 55.803 0.051 0.000 0.945 530 Q CB 0.677 29.450 28.738 0.058 0.000 1.045 530 Q HN 0.802 nan 8.270 nan 0.000 0.511 531 G N 0.492 109.328 108.800 0.060 0.000 2.137 531 G HA2 -0.344 3.605 3.960 -0.018 0.000 0.237 531 G HA3 -0.344 3.605 3.960 -0.018 0.000 0.237 531 G C 0.982 175.932 174.900 0.084 0.000 1.002 531 G CA 0.572 45.716 45.100 0.072 0.000 0.702 531 G HN 0.465 nan 8.290 nan 0.000 0.515 532 A N -0.105 122.755 122.820 0.067 0.000 1.902 532 A HA 0.134 4.443 4.320 -0.018 0.000 0.217 532 A C 2.398 180.005 177.584 0.038 0.000 1.181 532 A CA 1.872 53.939 52.037 0.051 0.000 0.623 532 A CB -0.314 18.713 19.000 0.044 0.000 0.818 532 A HN 0.825 nan 8.150 nan 0.000 0.443 533 I N -0.044 120.548 120.570 0.038 0.000 2.099 533 I HA -0.193 3.966 4.170 -0.018 0.000 0.239 533 I C -0.472 175.667 176.117 0.037 0.000 1.066 533 I CA 1.646 62.968 61.300 0.036 0.000 1.324 533 I CB -1.437 36.583 38.000 0.033 0.000 1.037 533 I HN 0.203 nan 8.210 nan 0.000 0.401 534 P HA -0.193 nan 4.420 nan 0.000 0.215 534 P C 1.524 178.842 177.300 0.030 0.000 1.153 534 P CA 1.391 64.512 63.100 0.035 0.000 0.853 534 P CB -0.052 31.674 31.700 0.044 0.000 0.788 535 R N 0.003 120.520 120.500 0.027 0.000 2.075 535 R HA -0.021 4.308 4.340 -0.018 0.000 0.232 535 R C 2.208 178.493 176.300 -0.025 0.000 1.126 535 R CA 1.415 57.498 56.100 -0.029 0.000 0.963 535 R CB -1.636 28.576 30.300 -0.146 0.000 0.858 535 R HN 0.127 nan 8.270 nan 0.000 0.435 536 L N -0.403 120.821 121.223 0.001 0.000 2.042 536 L HA -0.178 4.151 4.340 -0.018 0.000 0.210 536 L C 2.269 179.167 176.870 0.046 0.000 1.076 536 L CA 1.268 56.126 54.840 0.030 0.000 0.749 536 L CB -0.495 41.591 42.059 0.046 0.000 0.893 536 L HN 0.043 nan 8.230 nan 0.000 0.432 537 V N -0.557 119.378 119.914 0.035 0.000 2.343 537 V HA -0.305 3.804 4.120 -0.018 0.000 0.247 537 V C 2.451 178.552 176.094 0.012 0.000 1.051 537 V CA 1.668 63.977 62.300 0.014 0.000 1.036 537 V CB -0.567 31.251 31.823 -0.008 0.000 0.654 537 V HN 0.502 nan 8.190 nan 0.000 0.451 538 Q N -0.389 119.423 119.800 0.019 0.000 2.061 538 Q HA -0.185 4.144 4.340 -0.018 0.000 0.204 538 Q C 2.320 178.359 176.000 0.064 0.000 0.984 538 Q CA 1.658 57.478 55.803 0.029 0.000 0.846 538 Q CB -0.278 28.473 28.738 0.021 0.000 0.902 538 Q HN 0.552 nan 8.270 nan 0.000 0.421 539 L N 0.126 121.396 121.223 0.078 0.000 2.046 539 L HA -0.199 4.130 4.340 -0.018 0.000 0.208 539 L C 2.395 179.361 176.870 0.160 0.000 1.077 539 L CA 0.452 55.391 54.840 0.165 0.000 0.747 539 L CB -0.486 41.675 42.059 0.170 0.000 0.896 539 L HN 0.261 nan 8.230 nan 0.000 0.432 540 L N -0.274 121.010 121.223 0.102 0.000 1.989 540 L HA -0.167 4.162 4.340 -0.018 0.000 0.211 540 L C 2.433 179.351 176.870 0.080 0.000 1.071 540 L CA 1.747 56.636 54.840 0.082 0.000 0.749 540 L CB -0.559 41.532 42.059 0.053 0.000 0.890 540 L HN -0.086 nan 8.230 nan 0.000 0.431 541 V N 0.376 120.320 119.914 0.049 0.000 2.282 541 V HA -0.368 3.741 4.120 -0.018 0.000 0.249 541 V C 3.224 179.378 176.094 0.101 0.000 1.057 541 V CA 2.757 65.092 62.300 0.057 0.000 1.032 541 V CB -1.430 30.406 31.823 0.022 0.000 0.645 541 V HN 0.669 nan 8.190 nan 0.000 0.447 542 R N 0.031 120.596 120.500 0.108 0.000 2.070 542 R HA -0.099 4.230 4.340 -0.018 0.000 0.233 542 R C 2.356 178.715 176.300 0.097 0.000 1.137 542 R CA 2.337 58.512 56.100 0.126 0.000 0.945 542 R CB -1.602 28.817 30.300 0.198 0.000 0.845 542 R HN 0.642 nan 8.270 nan 0.000 0.430 543 A N -0.014 122.859 122.820 0.088 0.000 1.908 543 A HA -0.233 4.076 4.320 -0.018 0.000 0.218 543 A C 2.330 179.918 177.584 0.007 0.000 1.181 543 A CA 1.773 53.797 52.037 -0.021 0.000 0.627 543 A CB -0.850 18.120 19.000 -0.049 0.000 0.818 543 A HN 0.829 nan 8.150 nan 0.000 0.445 544 H N -0.876 118.181 119.070 -0.022 0.000 2.387 544 H HA -0.182 4.364 4.556 -0.018 0.000 0.299 544 H C 2.263 177.579 175.328 -0.020 0.000 1.090 544 H CA 2.078 58.115 56.048 -0.019 0.000 1.332 544 H CB 0.021 29.778 29.762 -0.008 0.000 1.386 544 H HN 0.537 nan 8.280 nan 0.000 0.516 545 Q N 1.127 120.907 119.800 -0.033 0.000 2.045 545 Q HA -0.164 4.165 4.340 -0.018 0.000 0.206 545 Q C 2.266 178.197 176.000 -0.115 0.000 0.991 545 Q CA 2.960 58.718 55.803 -0.075 0.000 0.851 545 Q CB -0.935 27.807 28.738 0.007 0.000 0.911 545 Q HN 0.694 nan 8.270 nan 0.000 0.418 546 D N -1.262 119.089 120.400 -0.083 0.000 2.104 546 D HA -0.189 4.441 4.640 -0.018 0.000 0.194 546 D C 1.788 178.015 176.300 -0.123 0.000 0.994 546 D CA 2.500 56.447 54.000 -0.089 0.000 0.830 546 D CB -1.478 39.267 40.800 -0.091 0.000 0.959 546 D HN 0.661 nan 8.370 nan 0.000 0.452 547 T N -3.325 111.136 114.554 -0.155 0.000 2.977 547 T HA 0.253 4.592 4.350 -0.018 0.000 0.271 547 T C 1.554 176.151 174.700 -0.171 0.000 1.105 547 T CA 1.799 63.806 62.100 -0.156 0.000 1.116 547 T CB -0.696 68.088 68.868 -0.139 0.000 0.878 547 T HN 0.901 nan 8.240 nan 0.000 0.509 561 V N 2.350 122.299 119.914 0.059 0.000 2.334 561 V HA 0.737 4.846 4.120 -0.018 0.000 0.281 561 V C 0.775 176.920 176.094 0.086 0.000 1.016 561 V CA -0.476 61.827 62.300 0.006 0.000 0.832 561 V CB 1.317 33.033 31.823 -0.178 0.000 0.999 561 V HN 0.805 nan 8.190 nan 0.000 0.439 562 E N 3.717 124.031 120.200 0.191 0.000 2.586 562 E HA -0.227 4.112 4.350 -0.018 0.000 0.259 562 E C 1.196 177.919 176.600 0.205 0.000 1.107 562 E CA 1.113 57.669 56.400 0.260 0.000 0.754 562 E CB -1.044 28.976 29.700 0.532 0.000 1.335 562 E HN 2.490 nan 8.360 nan 0.000 0.411 563 G N -2.068 106.823 108.800 0.152 0.000 2.199 563 G HA2 -0.305 3.644 3.960 -0.018 0.000 0.254 563 G HA3 -0.305 3.644 3.960 -0.018 0.000 0.254 563 G C 0.188 175.229 174.900 0.235 0.000 0.982 563 G CA 0.182 45.347 45.100 0.108 0.000 0.632 563 G HN 0.488 nan 8.290 nan 0.000 0.529 564 V N 1.355 121.405 119.914 0.225 0.000 2.715 564 V HA 0.596 4.705 4.120 -0.018 0.000 0.310 564 V C 0.554 176.661 176.094 0.021 0.000 1.054 564 V CA -1.163 61.233 62.300 0.160 0.000 0.928 564 V CB 1.774 33.638 31.823 0.068 0.000 1.007 564 V HN 0.340 nan 8.190 nan 0.000 0.437 565 R N 3.950 124.413 120.500 -0.062 0.000 2.267 565 R HA 0.301 4.630 4.340 -0.018 0.000 0.319 565 R C 0.728 176.884 176.300 -0.240 0.000 1.067 565 R CA -0.625 55.321 56.100 -0.257 0.000 0.936 565 R CB 0.651 30.753 30.300 -0.330 0.000 1.006 565 R HN 0.575 nan 8.270 nan 0.000 0.452 566 M N 1.894 121.320 119.600 -0.289 0.000 2.267 566 M HA -0.146 4.323 4.480 -0.018 0.000 0.263 566 M C 1.200 177.392 176.300 -0.180 0.000 1.063 566 M CA 1.692 56.807 55.300 -0.308 0.000 1.090 566 M CB -0.570 31.854 32.600 -0.294 0.000 1.392 566 M HN 0.541 nan 8.290 nan 0.000 0.422 567 E N 0.378 120.492 120.200 -0.144 0.000 2.160 567 E HA -0.173 4.166 4.350 -0.018 0.000 0.195 567 E C 1.888 178.457 176.600 -0.051 0.000 0.991 567 E CA 1.141 57.494 56.400 -0.079 0.000 0.810 567 E CB -0.175 29.476 29.700 -0.081 0.000 0.742 567 E HN 0.570 nan 8.360 nan 0.000 0.466 568 E N -0.134 120.025 120.200 -0.069 0.000 2.150 568 E HA -0.133 4.206 4.350 -0.018 0.000 0.193 568 E C 1.753 178.350 176.600 -0.004 0.000 0.985 568 E CA 0.522 56.908 56.400 -0.024 0.000 0.814 568 E CB 0.046 29.738 29.700 -0.014 0.000 0.752 568 E HN 0.251 nan 8.360 nan 0.000 0.466 569 I N 0.661 121.206 120.570 -0.042 0.000 2.286 569 I HA -0.172 3.987 4.170 -0.018 0.000 0.245 569 I C 2.401 178.540 176.117 0.036 0.000 1.104 569 I CA 0.824 62.124 61.300 0.001 0.000 1.397 569 I CB -0.944 37.006 38.000 -0.082 0.000 1.072 569 I HN -0.009 nan 8.210 nan 0.000 0.417 570 V N 1.081 121.008 119.914 0.022 0.000 2.287 570 V HA -0.292 3.818 4.120 -0.018 0.000 0.248 570 V C 2.605 178.740 176.094 0.068 0.000 1.053 570 V CA 2.131 64.468 62.300 0.061 0.000 1.027 570 V CB -0.713 31.155 31.823 0.076 0.000 0.646 570 V HN 0.459 nan 8.190 nan 0.000 0.447 571 E N 0.273 120.503 120.200 0.050 0.000 2.051 571 E HA -0.192 4.147 4.350 -0.018 0.000 0.192 571 E C 2.266 178.903 176.600 0.061 0.000 0.991 571 E CA 1.524 57.955 56.400 0.052 0.000 0.799 571 E CB -0.463 29.260 29.700 0.039 0.000 0.748 571 E HN 0.572 nan 8.360 nan 0.000 0.449 572 G N 0.373 109.211 108.800 0.062 0.000 2.404 572 G HA2 -0.270 3.679 3.960 -0.018 0.000 0.215 572 G HA3 -0.270 3.679 3.960 -0.018 0.000 0.215 572 G C 1.742 176.688 174.900 0.077 0.000 1.174 572 G CA 0.917 46.059 45.100 0.070 0.000 0.780 572 G HN 0.399 nan 8.290 nan 0.000 0.537 573 C N 0.602 119.955 119.300 0.087 0.000 2.446 573 C HA 0.005 4.454 4.460 -0.018 0.000 0.277 573 C C 3.248 178.302 174.990 0.108 0.000 1.275 573 C CA 1.523 60.599 59.018 0.095 0.000 1.727 573 C CB -0.969 26.834 27.740 0.105 0.000 2.010 573 C HN 0.432 nan 8.230 nan 0.000 0.486 574 T N 0.446 115.071 114.554 0.118 0.000 2.867 574 T HA -0.037 4.302 4.350 -0.018 0.000 0.268 574 T C 1.936 176.669 174.700 0.055 0.000 1.057 574 T CA 1.621 63.793 62.100 0.120 0.000 1.136 574 T CB -0.470 68.467 68.868 0.116 0.000 0.874 574 T HN 0.705 nan 8.240 nan 0.000 0.466 575 G N 1.030 109.871 108.800 0.067 0.000 2.394 575 G HA2 0.043 3.992 3.960 -0.018 0.000 0.215 575 G HA3 0.043 3.992 3.960 -0.018 0.000 0.215 575 G C 1.825 176.760 174.900 0.059 0.000 1.165 575 G CA 0.729 45.877 45.100 0.081 0.000 0.784 575 G HN 0.556 nan 8.290 nan 0.000 0.535 576 A N 0.684 123.534 122.820 0.050 0.000 1.902 576 A HA 0.090 4.399 4.320 -0.018 0.000 0.217 576 A C 2.411 180.002 177.584 0.011 0.000 1.181 576 A CA 1.221 53.276 52.037 0.029 0.000 0.623 576 A CB -0.416 18.609 19.000 0.042 0.000 0.818 576 A HN 0.346 nan 8.150 nan 0.000 0.443 577 L N -1.493 119.752 121.223 0.037 0.000 2.141 577 L HA -0.191 4.138 4.340 -0.018 0.000 0.209 577 L C 2.600 179.457 176.870 -0.021 0.000 1.094 577 L CA 1.576 56.431 54.840 0.026 0.000 0.763 577 L CB -0.731 41.395 42.059 0.113 0.000 0.908 577 L HN 0.682 nan 8.230 nan 0.000 0.437 578 H N 0.389 119.364 119.070 -0.159 0.000 2.319 578 H HA -0.192 4.352 4.556 -0.020 0.000 0.299 578 H C 2.284 177.516 175.328 -0.160 0.000 1.092 578 H CA 1.618 57.536 56.048 -0.216 0.000 1.302 578 H CB 0.365 29.994 29.762 -0.221 0.000 1.373 578 H HN 0.138 nan 8.280 nan 0.000 0.497 579 I N 1.147 121.579 120.570 -0.229 0.000 2.252 579 I HA -0.231 3.928 4.170 -0.018 0.000 0.245 579 I C 2.695 178.674 176.117 -0.229 0.000 1.102 579 I CA 0.840 61.979 61.300 -0.269 0.000 1.385 579 I CB -1.093 36.812 38.000 -0.158 0.000 1.064 579 I HN 0.373 nan 8.210 nan 0.000 0.414 580 L N 0.787 121.891 121.223 -0.198 0.000 2.191 580 L HA -0.124 4.205 4.340 -0.018 0.000 0.212 580 L C 2.469 179.177 176.870 -0.271 0.000 1.103 580 L CA 0.980 55.645 54.840 -0.290 0.000 0.769 580 L CB -0.545 41.425 42.059 -0.148 0.000 0.908 580 L HN 0.174 nan 8.230 nan 0.000 0.438 581 A N -0.271 122.455 122.820 -0.158 0.000 2.239 581 A HA -0.097 4.212 4.320 -0.018 0.000 0.209 581 A C 2.185 179.711 177.584 -0.096 0.000 1.171 581 A CA 0.600 52.575 52.037 -0.103 0.000 0.768 581 A CB -0.457 18.501 19.000 -0.071 0.000 0.790 581 A HN 0.339 nan 8.150 nan 0.000 0.478 582 R N 0.102 120.519 120.500 -0.138 0.000 2.237 582 R HA -0.037 4.293 4.340 -0.018 0.000 0.219 582 R C 0.224 176.514 176.300 -0.017 0.000 1.080 582 R CA 0.819 56.884 56.100 -0.057 0.000 0.995 582 R CB 0.011 30.307 30.300 -0.006 0.000 0.875 582 R HN 0.535 nan 8.270 nan 0.000 0.462 583 D N 0.612 120.959 120.400 -0.088 0.000 2.274 583 D HA -0.007 4.622 4.640 -0.018 0.000 0.239 583 D C 1.082 177.379 176.300 -0.005 0.000 1.104 583 D CA -0.116 53.885 54.000 0.003 0.000 0.840 583 D CB 2.043 42.837 40.800 -0.011 0.000 1.100 583 D HN -0.184 nan 8.370 nan 0.000 0.477 584 V N 4.870 124.796 119.914 0.021 0.000 2.317 584 V HA -0.353 3.756 4.120 -0.018 0.000 0.251 584 V C 2.427 178.529 176.094 0.012 0.000 1.065 584 V CA 3.207 65.516 62.300 0.015 0.000 1.049 584 V CB -0.910 30.925 31.823 0.021 0.000 0.651 584 V HN 0.826 nan 8.190 nan 0.000 0.450 585 H N -1.067 118.013 119.070 0.018 0.000 2.357 585 H HA -0.132 4.413 4.556 -0.018 0.000 0.301 585 H C 2.040 177.373 175.328 0.008 0.000 1.082 585 H CA 1.826 57.884 56.048 0.016 0.000 1.342 585 H CB -0.839 28.938 29.762 0.025 0.000 1.389 585 H HN 0.587 nan 8.280 nan 0.000 0.511 586 N N 0.177 118.873 118.700 -0.007 0.000 2.244 586 N HA -0.091 4.638 4.740 -0.018 0.000 0.183 586 N C 2.035 177.540 175.510 -0.008 0.000 1.016 586 N CA 0.873 53.911 53.050 -0.020 0.000 0.866 586 N CB -0.305 38.138 38.487 -0.074 0.000 0.980 586 N HN 0.607 nan 8.380 nan 0.000 0.430 587 R N 0.441 120.936 120.500 -0.009 0.000 2.096 587 R HA 0.026 4.355 4.340 -0.018 0.000 0.235 587 R C 2.094 178.406 176.300 0.019 0.000 1.127 587 R CA 0.748 56.851 56.100 0.005 0.000 0.968 587 R CB -0.293 30.008 30.300 0.001 0.000 0.861 587 R HN 0.287 nan 8.270 nan 0.000 0.440 588 I N 0.226 120.806 120.570 0.016 0.000 2.202 588 I HA -0.241 3.918 4.170 -0.018 0.000 0.242 588 I C 2.264 178.394 176.117 0.021 0.000 1.091 588 I CA 1.098 62.408 61.300 0.018 0.000 1.368 588 I CB -0.244 37.765 38.000 0.015 0.000 1.058 588 I HN -0.054 nan 8.210 nan 0.000 0.410 589 V N 1.202 121.128 119.914 0.020 0.000 2.295 589 V HA -0.274 3.835 4.120 -0.018 0.000 0.246 589 V C 2.325 178.438 176.094 0.031 0.000 1.049 589 V CA 1.845 64.159 62.300 0.023 0.000 1.024 589 V CB -0.494 31.341 31.823 0.021 0.000 0.648 589 V HN 0.321 nan 8.190 nan 0.000 0.447 590 I N 0.005 120.601 120.570 0.044 0.000 2.163 590 I HA -0.274 3.885 4.170 -0.018 0.000 0.243 590 I C 2.761 178.925 176.117 0.078 0.000 1.085 590 I CA 1.902 63.250 61.300 0.079 0.000 1.347 590 I CB -0.391 37.677 38.000 0.114 0.000 1.044 590 I HN 0.244 nan 8.210 nan 0.000 0.408 591 R N 1.586 122.125 120.500 0.064 0.000 2.081 591 R HA -0.113 4.216 4.340 -0.018 0.000 0.235 591 R C 2.182 178.498 176.300 0.026 0.000 1.131 591 R CA 1.816 57.947 56.100 0.052 0.000 0.960 591 R CB -1.067 29.257 30.300 0.040 0.000 0.856 591 R HN 0.339 nan 8.270 nan 0.000 0.436 592 G N -0.008 108.805 108.800 0.020 0.000 2.509 592 G HA2 -0.125 3.824 3.960 -0.018 0.000 0.218 592 G HA3 -0.125 3.824 3.960 -0.018 0.000 0.218 592 G C 1.030 175.931 174.900 0.002 0.000 1.124 592 G CA 0.550 45.657 45.100 0.010 0.000 0.776 592 G HN 0.340 nan 8.290 nan 0.000 0.547 593 L N 0.149 121.371 121.223 -0.001 0.000 2.627 593 L HA 0.199 4.528 4.340 -0.018 0.000 0.232 593 L C 0.964 177.808 176.870 -0.043 0.000 1.150 593 L CA -0.224 54.605 54.840 -0.017 0.000 0.917 593 L CB -0.566 41.483 42.059 -0.016 0.000 1.104 593 L HN 0.373 nan 8.230 nan 0.000 0.445 594 N N 0.990 119.668 118.700 -0.037 0.000 2.671 594 N HA -0.217 4.512 4.740 -0.018 0.000 0.261 594 N C 0.855 176.295 175.510 -0.116 0.000 1.053 594 N CA 0.433 53.451 53.050 -0.054 0.000 0.732 594 N CB -0.001 38.459 38.487 -0.044 0.000 0.887 594 N HN 0.493 nan 8.380 nan 0.000 0.546 595 T N -2.616 111.845 114.554 -0.154 0.000 3.014 595 T HA 0.177 4.517 4.350 -0.018 0.000 0.250 595 T C 1.891 176.329 174.700 -0.437 0.000 1.060 595 T CA 0.198 62.055 62.100 -0.406 0.000 1.040 595 T CB 0.118 68.675 68.868 -0.517 0.000 0.971 595 T HN 0.339 nan 8.240 nan 0.000 0.497 596 I N 2.713 123.234 120.570 -0.082 0.000 2.151 596 I HA -0.102 4.057 4.170 -0.018 0.000 0.243 596 I C -0.224 175.898 176.117 0.009 0.000 1.080 596 I CA 1.481 62.824 61.300 0.072 0.000 1.339 596 I CB -1.106 36.943 38.000 0.082 0.000 1.039 596 I HN 0.241 nan 8.210 nan 0.000 0.409 597 P HA -0.202 nan 4.420 nan 0.000 0.216 597 P C 1.895 179.158 177.300 -0.062 0.000 1.150 597 P CA 1.425 64.507 63.100 -0.029 0.000 0.837 597 P CB -0.096 31.582 31.700 -0.035 0.000 0.786 598 L N -1.066 120.047 121.223 -0.183 0.000 2.056 598 L HA -0.055 4.274 4.340 -0.018 0.000 0.207 598 L C 2.364 179.123 176.870 -0.184 0.000 1.078 598 L CA 1.780 56.459 54.840 -0.267 0.000 0.749 598 L CB -1.602 40.206 42.059 -0.419 0.000 0.901 598 L HN -0.253 nan 8.230 nan 0.000 0.433 599 F N -0.865 119.035 119.950 -0.083 0.000 2.171 599 F HA -0.135 4.382 4.527 -0.016 0.000 0.300 599 F C 2.502 178.271 175.800 -0.052 0.000 1.090 599 F CA 1.278 59.232 58.000 -0.077 0.000 1.293 599 F CB -1.320 37.639 39.000 -0.069 0.000 1.013 599 F HN -0.097 nan 8.300 nan 0.000 0.486 600 V N -0.219 119.792 119.914 0.160 0.000 2.427 600 V HA -0.303 3.807 4.120 -0.018 0.000 0.248 600 V C 2.691 178.886 176.094 0.168 0.000 1.051 600 V CA 2.156 64.528 62.300 0.120 0.000 1.048 600 V CB -1.519 30.373 31.823 0.114 0.000 0.666 600 V HN 0.473 nan 8.190 nan 0.000 0.456 601 Q N -0.326 119.568 119.800 0.156 0.000 2.170 601 Q HA -0.123 4.206 4.340 -0.018 0.000 0.203 601 Q C 2.075 178.221 176.000 0.244 0.000 0.976 601 Q CA 2.007 57.951 55.803 0.235 0.000 0.858 601 Q CB -0.851 27.941 28.738 0.089 0.000 0.907 601 Q HN 0.725 nan 8.270 nan 0.000 0.433 602 L N 0.018 121.305 121.223 0.106 0.000 2.362 602 L HA -0.047 4.282 4.340 -0.018 0.000 0.219 602 L C 2.389 179.302 176.870 0.071 0.000 1.134 602 L CA 0.467 55.365 54.840 0.096 0.000 0.807 602 L CB -0.294 41.807 42.059 0.069 0.000 0.927 602 L HN 0.365 nan 8.230 nan 0.000 0.447 603 L N -1.584 119.646 121.223 0.011 0.000 2.275 603 L HA -0.186 4.143 4.340 -0.018 0.000 0.215 603 L C 1.698 178.444 176.870 -0.207 0.000 1.119 603 L CA 0.995 55.751 54.840 -0.140 0.000 0.790 603 L CB -0.362 41.536 42.059 -0.267 0.000 0.919 603 L HN 0.243 nan 8.230 nan 0.000 0.443 604 Y N -0.969 119.356 120.300 0.041 0.000 2.466 604 Y HA 0.101 4.641 4.550 -0.017 0.000 0.272 604 Y C 1.654 177.580 175.900 0.043 0.000 1.169 604 Y CA -0.274 57.851 58.100 0.041 0.000 1.285 604 Y CB -0.017 38.469 38.460 0.043 0.000 1.078 604 Y HN -0.030 nan 8.280 nan 0.000 0.523 605 S N 2.632 118.423 115.700 0.152 0.000 2.549 605 S HA 0.029 4.489 4.470 -0.018 0.000 0.286 605 S C -1.119 173.525 174.600 0.073 0.000 1.314 605 S CA -1.198 57.070 58.200 0.113 0.000 1.062 605 S CB 0.749 64.006 63.200 0.095 0.000 0.865 605 S HN 0.157 nan 8.310 nan 0.000 0.498 606 P HA 0.098 nan 4.420 nan 0.000 0.233 606 P C -0.005 177.310 177.300 0.025 0.000 1.167 606 P CA 0.531 63.654 63.100 0.038 0.000 0.770 606 P CB -0.053 31.663 31.700 0.027 0.000 0.837 607 I N 1.153 121.739 120.570 0.026 0.000 2.301 607 I HA 0.114 4.273 4.170 -0.018 0.000 0.292 607 I C 1.943 178.072 176.117 0.021 0.000 1.046 607 I CA -0.282 61.029 61.300 0.018 0.000 1.282 607 I CB 0.874 38.883 38.000 0.015 0.000 1.409 607 I HN -0.087 nan 8.210 nan 0.000 0.484 608 E N 5.043 125.253 120.200 0.017 0.000 2.086 608 E HA -0.272 4.067 4.350 -0.018 0.000 0.200 608 E C 1.416 178.029 176.600 0.022 0.000 1.012 608 E CA 1.782 58.192 56.400 0.016 0.000 0.812 608 E CB 0.208 29.916 29.700 0.013 0.000 0.743 608 E HN 0.628 nan 8.360 nan 0.000 0.453 609 N N 0.240 118.955 118.700 0.025 0.000 2.309 609 N HA -0.105 4.624 4.740 -0.018 0.000 0.182 609 N C 1.797 177.327 175.510 0.034 0.000 1.018 609 N CA 0.832 53.902 53.050 0.034 0.000 0.876 609 N CB -0.078 38.430 38.487 0.034 0.000 0.972 609 N HN 0.340 nan 8.380 nan 0.000 0.434 610 I N 0.877 121.465 120.570 0.030 0.000 2.406 610 I HA -0.182 3.978 4.170 -0.018 0.000 0.249 610 I C 2.025 178.154 176.117 0.020 0.000 1.122 610 I CA 0.682 62.002 61.300 0.033 0.000 1.431 610 I CB -0.119 37.909 38.000 0.047 0.000 1.087 610 I HN 0.098 nan 8.210 nan 0.000 0.424 611 Q N 0.342 120.152 119.800 0.016 0.000 2.124 611 Q HA -0.224 4.105 4.340 -0.018 0.000 0.202 611 Q C 2.288 178.287 176.000 -0.002 0.000 0.977 611 Q CA 1.280 57.082 55.803 -0.001 0.000 0.850 611 Q CB -0.190 28.545 28.738 -0.005 0.000 0.901 611 Q HN 0.400 nan 8.270 nan 0.000 0.429 612 R N 0.690 121.205 120.500 0.026 0.000 2.070 612 R HA -0.142 4.187 4.340 -0.018 0.000 0.233 612 R C 2.333 178.635 176.300 0.004 0.000 1.137 612 R CA 1.775 57.921 56.100 0.077 0.000 0.945 612 R CB -0.218 30.142 30.300 0.100 0.000 0.845 612 R HN 0.305 nan 8.270 nan 0.000 0.430 613 V N -1.706 118.183 119.914 -0.041 0.000 2.626 613 V HA 0.004 4.113 4.120 -0.018 0.000 0.252 613 V C 2.235 178.148 176.094 -0.302 0.000 1.067 613 V CA 1.528 63.735 62.300 -0.155 0.000 1.081 613 V CB -0.881 30.928 31.823 -0.025 0.000 0.686 613 V HN 0.366 nan 8.190 nan 0.000 0.468 614 A N 0.958 123.667 122.820 -0.186 0.000 1.873 614 A HA 0.143 4.452 4.320 -0.018 0.000 0.215 614 A C 2.486 179.892 177.584 -0.297 0.000 1.186 614 A CA 2.146 54.062 52.037 -0.203 0.000 0.616 614 A CB -1.072 17.901 19.000 -0.045 0.000 0.823 614 A HN 0.885 nan 8.150 nan 0.000 0.442 615 A N -0.503 122.184 122.820 -0.222 0.000 1.930 615 A HA 0.166 4.475 4.320 -0.018 0.000 0.217 615 A C 2.361 179.663 177.584 -0.471 0.000 1.175 615 A CA 1.817 53.734 52.037 -0.201 0.000 0.627 615 A CB -1.284 17.708 19.000 -0.013 0.000 0.815 615 A HN 0.689 nan 8.150 nan 0.000 0.443 616 G N -0.818 107.454 108.800 -0.879 0.000 2.421 616 G HA2 -0.136 3.814 3.960 -0.018 0.000 0.216 616 G HA3 -0.136 3.814 3.960 -0.018 0.000 0.216 616 G C 1.619 175.776 174.900 -1.238 0.000 1.171 616 G CA 1.193 45.202 45.100 -1.818 0.000 0.775 616 G HN 0.510 nan 8.290 nan 0.000 0.543 617 V N 0.522 119.887 119.914 -0.916 0.000 2.548 617 V HA 0.038 4.147 4.120 -0.018 0.000 0.249 617 V C 2.788 178.597 176.094 -0.476 0.000 1.055 617 V CA 1.340 63.279 62.300 -0.601 0.000 1.065 617 V CB -0.183 31.147 31.823 -0.823 0.000 0.681 617 V HN 0.395 nan 8.190 nan 0.000 0.462 618 L N -0.619 120.337 121.223 -0.444 0.000 2.093 618 L HA -0.178 4.151 4.340 -0.018 0.000 0.208 618 L C 2.757 179.527 176.870 -0.168 0.000 1.085 618 L CA 1.700 56.400 54.840 -0.235 0.000 0.755 618 L CB -0.774 41.193 42.059 -0.152 0.000 0.904 618 L HN 0.554 nan 8.230 nan 0.000 0.435 619 C N 0.347 119.515 119.300 -0.220 0.000 2.413 619 C HA -0.156 4.293 4.460 -0.018 0.000 0.276 619 C C 2.780 177.722 174.990 -0.081 0.000 1.236 619 C CA 1.005 59.950 59.018 -0.123 0.000 1.735 619 C CB -0.574 27.073 27.740 -0.154 0.000 2.031 619 C HN 0.485 nan 8.230 nan 0.000 0.474 620 E N 0.507 120.636 120.200 -0.118 0.000 2.047 620 E HA -0.139 4.200 4.350 -0.018 0.000 0.191 620 E C 2.208 178.784 176.600 -0.040 0.000 0.987 620 E CA 1.260 57.629 56.400 -0.051 0.000 0.799 620 E CB -0.544 29.135 29.700 -0.035 0.000 0.752 620 E HN 0.697 nan 8.360 nan 0.000 0.449 621 L N 0.655 121.840 121.223 -0.064 0.000 2.083 621 L HA -0.141 4.188 4.340 -0.018 0.000 0.209 621 L C 2.496 179.361 176.870 -0.009 0.000 1.083 621 L CA 0.990 55.813 54.840 -0.028 0.000 0.752 621 L CB -0.551 41.496 42.059 -0.020 0.000 0.899 621 L HN 0.058 nan 8.230 nan 0.000 0.433 622 A N -0.534 122.278 122.820 -0.013 0.000 2.178 622 A HA -0.207 4.102 4.320 -0.018 0.000 0.218 622 A C 2.118 179.713 177.584 0.017 0.000 1.157 622 A CA 1.071 53.111 52.037 0.004 0.000 0.689 622 A CB -0.409 18.596 19.000 0.008 0.000 0.787 622 A HN 0.525 nan 8.150 nan 0.000 0.465 623 Q N 0.092 119.904 119.800 0.020 0.000 2.291 623 Q HA -0.095 4.234 4.340 -0.018 0.000 0.206 623 Q C -0.432 175.582 176.000 0.023 0.000 0.976 623 Q CA 0.731 56.553 55.803 0.032 0.000 0.875 623 Q CB -0.030 28.725 28.738 0.029 0.000 0.927 623 Q HN 0.564 nan 8.270 nan 0.000 0.450 624 D N -0.120 120.289 120.400 0.014 0.000 2.280 624 D HA 0.147 4.776 4.640 -0.018 0.000 0.236 624 D C 0.895 177.198 176.300 0.005 0.000 1.082 624 D CA 0.116 54.122 54.000 0.011 0.000 0.834 624 D CB 1.542 42.349 40.800 0.011 0.000 1.100 624 D HN 0.028 nan 8.370 nan 0.000 0.486 625 K N 2.398 122.798 120.400 0.001 0.000 2.030 625 K HA -0.333 3.976 4.320 -0.018 0.000 0.222 625 K C 2.014 178.611 176.600 -0.005 0.000 1.056 625 K CA 2.731 59.014 56.287 -0.007 0.000 0.957 625 K CB -1.672 30.823 32.500 -0.008 0.000 0.727 625 K HN 0.614 nan 8.250 nan 0.000 0.452 626 E N 0.184 120.384 120.200 -0.000 0.000 2.130 626 E HA 0.044 4.384 4.350 -0.018 0.000 0.196 626 E C 2.543 179.146 176.600 0.006 0.000 0.998 626 E CA 2.384 58.786 56.400 0.002 0.000 0.806 626 E CB -1.065 28.638 29.700 0.004 0.000 0.738 626 E HN 1.043 nan 8.360 nan 0.000 0.459 627 A N 0.716 123.541 122.820 0.009 0.000 1.873 627 A HA 0.314 4.623 4.320 -0.018 0.000 0.215 627 A C 2.869 180.460 177.584 0.011 0.000 1.186 627 A CA 2.365 54.411 52.037 0.015 0.000 0.616 627 A CB -0.760 18.250 19.000 0.017 0.000 0.823 627 A HN 1.098 nan 8.150 nan 0.000 0.442 628 A N -0.254 122.568 122.820 0.004 0.000 1.978 628 A HA -0.204 4.105 4.320 -0.018 0.000 0.220 628 A C 1.909 179.490 177.584 -0.004 0.000 1.170 628 A CA 1.806 53.842 52.037 -0.003 0.000 0.636 628 A CB -0.505 18.487 19.000 -0.014 0.000 0.810 628 A HN 0.665 nan 8.150 nan 0.000 0.448 629 E N -0.500 119.698 120.200 -0.004 0.000 2.072 629 E HA -0.051 4.288 4.350 -0.018 0.000 0.191 629 E C 2.354 178.956 176.600 0.004 0.000 0.985 629 E CA 0.849 57.247 56.400 -0.004 0.000 0.801 629 E CB -0.253 29.444 29.700 -0.005 0.000 0.750 629 E HN 0.619 nan 8.360 nan 0.000 0.452 630 A N 1.075 123.900 122.820 0.009 0.000 1.933 630 A HA -0.159 4.150 4.320 -0.018 0.000 0.218 630 A C 2.134 179.730 177.584 0.021 0.000 1.175 630 A CA 0.995 53.041 52.037 0.014 0.000 0.628 630 A CB -0.544 18.467 19.000 0.018 0.000 0.814 630 A HN 0.144 nan 8.150 nan 0.000 0.444 631 I N -0.785 119.799 120.570 0.023 0.000 2.252 631 I HA -0.237 3.922 4.170 -0.018 0.000 0.245 631 I C 2.559 178.690 176.117 0.023 0.000 1.102 631 I CA 1.738 63.056 61.300 0.029 0.000 1.385 631 I CB -0.297 37.717 38.000 0.024 0.000 1.064 631 I HN 0.515 nan 8.210 nan 0.000 0.414 632 E N 1.341 121.549 120.200 0.013 0.000 2.072 632 E HA -0.212 4.127 4.350 -0.018 0.000 0.191 632 E C 2.268 178.878 176.600 0.016 0.000 0.985 632 E CA 1.161 57.568 56.400 0.011 0.000 0.801 632 E CB -0.027 29.673 29.700 -0.000 0.000 0.750 632 E HN 0.460 nan 8.360 nan 0.000 0.452 633 A N 1.062 123.891 122.820 0.014 0.000 2.070 633 A HA -0.152 4.157 4.320 -0.018 0.000 0.220 633 A C 1.723 179.319 177.584 0.021 0.000 1.159 633 A CA 1.112 53.158 52.037 0.014 0.000 0.656 633 A CB -0.266 18.740 19.000 0.010 0.000 0.800 633 A HN 0.201 nan 8.150 nan 0.000 0.453 634 E N -1.015 119.202 120.200 0.028 0.000 2.502 634 E HA 0.145 4.484 4.350 -0.018 0.000 0.194 634 E C 1.121 177.753 176.600 0.053 0.000 1.062 634 E CA 0.616 57.038 56.400 0.038 0.000 0.867 634 E CB -0.304 29.422 29.700 0.044 0.000 0.888 634 E HN 0.774 nan 8.360 nan 0.000 0.510 635 G N 1.189 110.018 108.800 0.048 0.000 2.182 635 G HA2 -0.338 3.611 3.960 -0.018 0.000 0.248 635 G HA3 -0.338 3.611 3.960 -0.018 0.000 0.248 635 G C 1.023 175.971 174.900 0.080 0.000 1.042 635 G CA 0.492 45.629 45.100 0.061 0.000 0.775 635 G HN 0.412 nan 8.290 nan 0.000 0.501 636 A N -0.836 122.019 122.820 0.058 0.000 2.066 636 A HA 0.232 4.541 4.320 -0.018 0.000 0.218 636 A C 2.432 180.027 177.584 0.019 0.000 1.157 636 A CA 2.450 54.511 52.037 0.041 0.000 0.670 636 A CB -0.517 18.500 19.000 0.027 0.000 0.804 636 A HN 0.776 nan 8.150 nan 0.000 0.453 637 T N 0.683 115.251 114.554 0.023 0.000 2.665 637 T HA -0.161 4.178 4.350 -0.018 0.000 0.268 637 T C 2.244 176.955 174.700 0.017 0.000 1.035 637 T CA 1.845 63.954 62.100 0.015 0.000 1.151 637 T CB -0.532 68.346 68.868 0.017 0.000 0.862 637 T HN 0.627 nan 8.240 nan 0.000 0.438 638 A N 2.566 125.408 122.820 0.038 0.000 1.849 638 A HA -0.087 4.222 4.320 -0.018 0.000 0.217 638 A C 0.600 178.197 177.584 0.022 0.000 1.202 638 A CA 1.774 53.840 52.037 0.048 0.000 0.629 638 A CB -1.702 17.350 19.000 0.087 0.000 0.834 638 A HN 0.447 nan 8.150 nan 0.000 0.447 639 P HA -0.144 nan 4.420 nan 0.000 0.215 639 P C 1.600 178.827 177.300 -0.121 0.000 1.153 639 P CA 1.151 64.155 63.100 -0.159 0.000 0.853 639 P CB -0.252 31.156 31.700 -0.487 0.000 0.788 640 L N -0.690 120.483 121.223 -0.083 0.000 2.131 640 L HA -0.126 4.203 4.340 -0.018 0.000 0.210 640 L C 2.598 179.445 176.870 -0.039 0.000 1.092 640 L CA 1.834 56.639 54.840 -0.057 0.000 0.759 640 L CB -1.513 40.526 42.059 -0.033 0.000 0.903 640 L HN 0.038 nan 8.230 nan 0.000 0.435 641 T N -0.918 113.624 114.554 -0.021 0.000 2.821 641 T HA -0.149 4.190 4.350 -0.018 0.000 0.267 641 T C 1.702 176.406 174.700 0.006 0.000 1.046 641 T CA 1.150 63.244 62.100 -0.010 0.000 1.139 641 T CB -0.102 68.775 68.868 0.015 0.000 0.871 641 T HN 0.415 nan 8.240 nan 0.000 0.454 642 E N 0.916 121.133 120.200 0.029 0.000 2.150 642 E HA 0.018 4.357 4.350 -0.018 0.000 0.193 642 E C 1.999 178.636 176.600 0.063 0.000 0.985 642 E CA 0.648 57.100 56.400 0.087 0.000 0.814 642 E CB -0.243 29.487 29.700 0.050 0.000 0.752 642 E HN 0.427 nan 8.360 nan 0.000 0.466 643 L N 0.872 122.087 121.223 -0.014 0.000 2.456 643 L HA -0.102 4.227 4.340 -0.018 0.000 0.224 643 L C 2.134 178.970 176.870 -0.058 0.000 1.148 643 L CA 0.266 55.089 54.840 -0.029 0.000 0.825 643 L CB -0.200 41.827 42.059 -0.052 0.000 0.937 643 L HN 0.169 nan 8.230 nan 0.000 0.450 644 L N -0.798 120.351 121.223 -0.123 0.000 2.265 644 L HA -0.191 4.138 4.340 -0.018 0.000 0.215 644 L C 1.816 178.506 176.870 -0.300 0.000 1.117 644 L CA 0.734 55.435 54.840 -0.231 0.000 0.782 644 L CB -0.474 41.391 42.059 -0.324 0.000 0.914 644 L HN 0.419 nan 8.230 nan 0.000 0.441 645 H N -1.434 117.626 119.070 -0.018 0.000 2.519 645 H HA 0.183 4.729 4.556 -0.018 0.000 0.289 645 H C 0.941 176.258 175.328 -0.018 0.000 1.040 645 H CA -0.105 55.933 56.048 -0.016 0.000 1.165 645 H CB 0.356 30.112 29.762 -0.011 0.000 1.462 645 H HN 0.101 nan 8.280 nan 0.000 0.555 646 S N 1.377 117.103 115.700 0.043 0.000 2.568 646 S HA -0.000 4.459 4.470 -0.018 0.000 0.282 646 S C 1.730 176.338 174.600 0.013 0.000 1.338 646 S CA -0.614 57.599 58.200 0.021 0.000 1.045 646 S CB 0.861 64.056 63.200 -0.008 0.000 0.873 646 S HN 0.656 nan 8.310 nan 0.000 0.516 647 R N 3.194 123.701 120.500 0.012 0.000 2.236 647 R HA 0.050 4.379 4.340 -0.018 0.000 0.208 647 R C 0.459 176.755 176.300 -0.008 0.000 1.036 647 R CA 0.425 56.528 56.100 0.006 0.000 1.001 647 R CB -0.373 29.931 30.300 0.007 0.000 0.896 647 R HN 0.512 nan 8.270 nan 0.000 0.464 648 N N 1.556 120.248 118.700 -0.014 0.000 2.414 648 N HA -0.007 4.722 4.740 -0.018 0.000 0.256 648 N C -0.303 175.175 175.510 -0.055 0.000 1.029 648 N CA -0.024 53.010 53.050 -0.026 0.000 0.948 648 N CB 1.604 40.081 38.487 -0.016 0.000 1.102 648 N HN 0.058 nan 8.380 nan 0.000 0.496 649 E N 2.602 122.761 120.200 -0.068 0.000 2.118 649 E HA -0.105 4.234 4.350 -0.018 0.000 0.195 649 E C 1.739 178.232 176.600 -0.177 0.000 0.992 649 E CA 1.638 57.977 56.400 -0.102 0.000 0.804 649 E CB -0.344 29.301 29.700 -0.092 0.000 0.741 649 E HN 0.816 nan 8.360 nan 0.000 0.458 650 G N 0.439 109.121 108.800 -0.197 0.000 2.421 650 G HA2 -0.235 3.714 3.960 -0.018 0.000 0.216 650 G HA3 -0.235 3.714 3.960 -0.018 0.000 0.216 650 G C 1.753 176.436 174.900 -0.362 0.000 1.171 650 G CA 0.998 45.866 45.100 -0.386 0.000 0.775 650 G HN 0.202 nan 8.290 nan 0.000 0.543 651 V N 1.758 121.606 119.914 -0.110 0.000 2.255 651 V HA -0.176 3.933 4.120 -0.018 0.000 0.247 651 V C 3.369 179.432 176.094 -0.051 0.000 1.051 651 V CA 2.195 64.485 62.300 -0.017 0.000 1.018 651 V CB -1.108 30.710 31.823 -0.008 0.000 0.641 651 V HN 0.481 nan 8.190 nan 0.000 0.445 652 A N -0.249 122.520 122.820 -0.084 0.000 1.883 652 A HA -0.264 4.045 4.320 -0.018 0.000 0.217 652 A C 2.395 179.918 177.584 -0.101 0.000 1.186 652 A CA 2.762 54.746 52.037 -0.088 0.000 0.624 652 A CB -1.090 17.857 19.000 -0.090 0.000 0.822 652 A HN 0.534 nan 8.150 nan 0.000 0.444 653 T N -1.229 113.225 114.554 -0.167 0.000 2.737 653 T HA -0.142 4.197 4.350 -0.018 0.000 0.265 653 T C 1.754 176.401 174.700 -0.088 0.000 1.038 653 T CA 1.648 63.641 62.100 -0.177 0.000 1.144 653 T CB -0.515 68.178 68.868 -0.291 0.000 0.866 653 T HN 0.610 nan 8.240 nan 0.000 0.434 654 Y N 1.296 121.564 120.300 -0.054 0.000 2.181 654 Y HA -0.118 4.422 4.550 -0.016 0.000 0.288 654 Y C 2.900 178.765 175.900 -0.059 0.000 1.146 654 Y CA 0.390 58.451 58.100 -0.065 0.000 1.164 654 Y CB -0.359 38.037 38.460 -0.107 0.000 0.982 654 Y HN 0.208 nan 8.280 nan 0.000 0.515 655 A N 0.438 123.312 122.820 0.089 0.000 1.883 655 A HA -0.219 4.090 4.320 -0.018 0.000 0.217 655 A C 2.410 180.010 177.584 0.026 0.000 1.186 655 A CA 1.849 53.903 52.037 0.028 0.000 0.624 655 A CB -1.216 17.776 19.000 -0.014 0.000 0.822 655 A HN 0.437 nan 8.150 nan 0.000 0.444 656 A N -0.246 122.582 122.820 0.012 0.000 1.933 656 A HA 0.139 4.448 4.320 -0.018 0.000 0.218 656 A C 2.490 180.120 177.584 0.078 0.000 1.175 656 A CA 2.154 54.203 52.037 0.022 0.000 0.628 656 A CB -0.975 18.015 19.000 -0.017 0.000 0.814 656 A HN 1.085 nan 8.150 nan 0.000 0.444 657 A N -0.593 122.275 122.820 0.081 0.000 1.902 657 A HA 0.011 4.320 4.320 -0.018 0.000 0.217 657 A C 2.216 179.893 177.584 0.155 0.000 1.181 657 A CA 1.796 53.906 52.037 0.121 0.000 0.623 657 A CB -0.850 18.223 19.000 0.120 0.000 0.818 657 A HN 0.402 nan 8.150 nan 0.000 0.443 658 V N 0.037 120.008 119.914 0.096 0.000 2.358 658 V HA -0.220 3.889 4.120 -0.018 0.000 0.246 658 V C 2.537 178.668 176.094 0.061 0.000 1.047 658 V CA 1.763 64.100 62.300 0.062 0.000 1.035 658 V CB -0.791 31.044 31.823 0.019 0.000 0.658 658 V HN 0.550 nan 8.190 nan 0.000 0.452 659 L N -0.961 120.302 121.223 0.066 0.000 2.046 659 L HA -0.197 4.132 4.340 -0.018 0.000 0.208 659 L C 2.390 179.297 176.870 0.062 0.000 1.077 659 L CA 1.990 56.859 54.840 0.049 0.000 0.747 659 L CB -0.623 41.463 42.059 0.044 0.000 0.896 659 L HN 0.386 nan 8.230 nan 0.000 0.432 660 F N 0.725 120.671 119.950 -0.007 0.000 2.134 660 F HA -0.204 4.315 4.527 -0.013 0.000 0.299 660 F C 2.705 178.504 175.800 -0.002 0.000 1.097 660 F CA 1.477 59.474 58.000 -0.005 0.000 1.264 660 F CB -0.118 38.880 39.000 -0.004 0.000 1.001 660 F HN -0.129 nan 8.300 nan 0.000 0.479 661 R N -0.188 120.309 120.500 -0.005 0.000 2.115 661 R HA -0.082 4.247 4.340 -0.018 0.000 0.226 661 R C 2.185 178.404 176.300 -0.134 0.000 1.100 661 R CA 1.570 57.614 56.100 -0.094 0.000 0.980 661 R CB -0.435 29.901 30.300 0.060 0.000 0.875 661 R HN 0.397 nan 8.270 nan 0.000 0.445 662 M N 0.719 120.268 119.600 -0.085 0.000 2.374 662 M HA -0.064 4.405 4.480 -0.018 0.000 0.264 662 M C 1.069 177.304 176.300 -0.108 0.000 1.067 662 M CA 0.826 56.084 55.300 -0.071 0.000 1.103 662 M CB -0.061 32.518 32.600 -0.035 0.000 1.402 662 M HN 0.060 nan 8.290 nan 0.000 0.444 663 S N 0.000 115.594 115.700 -0.176 0.000 2.498 663 S HA 0.000 4.459 4.470 -0.018 0.000 0.327 663 S CA 0.000 58.086 58.200 -0.191 0.000 1.107 663 S CB 0.000 63.101 63.200 -0.165 0.000 0.593 663 S HN 0.000 nan 8.310 nan 0.000 0.517