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 3bct_1_A DATA FIRST_RESID 193 DATA SEQUENCE QXVSAIVRTX QNTNDVETAR CTAGTLHNLS HHREGLLAIF KSGGIPALVK DATA SEQUENCE XLGSPVDSVL FYAITTLHNL LLHQEGAKXA VRLAGGLQKX VALLNKTNVK DATA SEQUENCE FLAITTDCLQ ILAYGNQESK LIILASGGPQ ALVNIXRTYT YEKLLWTTSR DATA SEQUENCE VLKVLSVCSS NKPAIVEAGG XQALGLHLTD PSQRLVQNCL WTLRNLSDAA DATA SEQUENCE TKQEGXEGLL GTLVQLLGSD DINVVTCAAG ILSNLTCNNY KNKXXVCQVG DATA SEQUENCE GIEALVRTVL RAGDREDITE PAICALRHLT SRHQEAEXAQ NAVRLHYGLP DATA SEQUENCE VVVKLLHPPS HWPLIKATVG LIRNLALCPA NHAPLREQGA IPRLVQLLVR DATA SEQUENCE AHQDTQRXXX XXXXXXXXXX GVRXEEIVEG CTGALHILAR DVHNRIVIRG DATA SEQUENCE LNTIPLFVQL LYSPIENIQR VAAGVLCELA QDKEAAEAIE AEGATAPLTE DATA SEQUENCE LLHSRNEGVA TYAAAVLFR 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 193 Q HA 0.000 nan 4.340 nan 0.000 0.214 193 Q C 0.000 176.008 176.000 0.013 0.000 1.003 193 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 193 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 196 S N 1.318 117.031 115.700 0.022 0.000 2.370 196 S HA -0.074 4.395 4.470 -0.000 0.000 0.226 196 S C 2.082 176.691 174.600 0.015 0.000 1.033 196 S CA 3.007 61.217 58.200 0.017 0.000 1.011 196 S CB -0.349 62.860 63.200 0.015 0.000 0.852 196 S HN 1.496 nan 8.310 nan 0.000 0.457 197 A N 1.356 124.185 122.820 0.015 0.000 1.898 197 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 197 A C 2.104 179.698 177.584 0.016 0.000 1.181 197 A CA 1.402 53.447 52.037 0.014 0.000 0.620 197 A CB -0.754 18.254 19.000 0.012 0.000 0.819 197 A HN 0.620 nan 8.150 nan 0.000 0.442 198 I N -0.314 120.269 120.570 0.021 0.000 2.163 198 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 198 I C 2.370 178.503 176.117 0.026 0.000 1.085 198 I CA 1.307 62.622 61.300 0.026 0.000 1.347 198 I CB -0.500 37.520 38.000 0.032 0.000 1.044 198 I HN 0.160 nan 8.210 nan 0.000 0.408 199 V N 1.068 120.997 119.914 0.024 0.000 2.233 199 V HA -0.350 3.769 4.120 -0.000 0.000 0.247 199 V C 3.189 179.292 176.094 0.014 0.000 1.050 199 V CA 2.828 65.140 62.300 0.020 0.000 1.010 199 V CB -1.361 30.471 31.823 0.015 0.000 0.637 199 V HN 0.529 nan 8.190 nan 0.000 0.444 200 R N -0.110 120.396 120.500 0.011 0.000 2.096 200 R HA -0.163 4.177 4.340 -0.000 0.000 0.240 200 R C 1.695 178.001 176.300 0.010 0.000 1.139 200 R CA 1.947 58.052 56.100 0.008 0.000 0.952 200 R CB -1.837 28.467 30.300 0.007 0.000 0.854 200 R HN 0.615 nan 8.270 nan 0.000 0.436 204 N N -0.572 118.133 118.700 0.008 0.000 2.594 204 N HA 0.091 4.831 4.740 -0.000 0.000 0.237 204 N C -0.029 175.486 175.510 0.007 0.000 1.057 204 N CA 0.961 54.015 53.050 0.007 0.000 0.883 204 N CB 0.334 38.825 38.487 0.006 0.000 1.538 204 N HN 0.017 nan 8.380 nan 0.000 0.451 205 T N 1.951 116.511 114.554 0.009 0.000 2.848 205 T HA -0.008 4.342 4.350 -0.000 0.000 0.340 205 T C 1.031 175.736 174.700 0.008 0.000 1.091 205 T CA 0.519 62.625 62.100 0.009 0.000 1.123 205 T CB 0.675 69.550 68.868 0.012 0.000 1.042 205 T HN 0.186 nan 8.240 nan 0.000 0.544 206 N N -0.023 118.681 118.700 0.007 0.000 2.239 206 N HA 0.029 4.769 4.740 -0.000 0.000 0.208 206 N C -0.319 175.195 175.510 0.006 0.000 1.200 206 N CA 0.000 53.054 53.050 0.006 0.000 0.895 206 N CB 0.456 38.946 38.487 0.004 0.000 1.085 206 N HN 0.559 nan 8.380 nan 0.000 0.500 207 D N 1.765 122.169 120.400 0.007 0.000 2.336 207 D HA 0.021 4.661 4.640 -0.000 0.000 0.249 207 D C 1.841 178.146 176.300 0.009 0.000 1.213 207 D CA -0.198 53.806 54.000 0.007 0.000 0.870 207 D CB 1.383 42.187 40.800 0.007 0.000 1.076 207 D HN -0.036 nan 8.370 nan 0.000 0.483 208 V N 2.661 122.580 119.914 0.008 0.000 2.439 208 V HA -0.279 3.841 4.120 -0.000 0.000 0.253 208 V C 1.889 177.992 176.094 0.015 0.000 1.074 208 V CA 2.181 64.487 62.300 0.010 0.000 1.076 208 V CB -0.766 31.061 31.823 0.006 0.000 0.664 208 V HN 0.531 nan 8.190 nan 0.000 0.461 209 E N 1.318 121.526 120.200 0.014 0.000 2.150 209 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 209 E C 2.029 178.642 176.600 0.022 0.000 0.985 209 E CA 1.871 58.282 56.400 0.017 0.000 0.814 209 E CB -0.669 29.039 29.700 0.014 0.000 0.752 209 E HN 0.751 nan 8.360 nan 0.000 0.466 210 T N -0.143 114.423 114.554 0.019 0.000 2.915 210 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 210 T C 1.747 176.464 174.700 0.027 0.000 1.071 210 T CA 0.961 63.073 62.100 0.021 0.000 1.132 210 T CB -0.219 68.660 68.868 0.017 0.000 0.878 210 T HN 0.325 nan 8.240 nan 0.000 0.479 211 A N 1.953 124.790 122.820 0.028 0.000 1.854 211 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 211 A C 2.315 179.927 177.584 0.047 0.000 1.192 211 A CA 1.323 53.380 52.037 0.034 0.000 0.611 211 A CB -0.576 18.441 19.000 0.028 0.000 0.832 211 A HN 0.385 nan 8.150 nan 0.000 0.442 212 R N -0.547 119.981 120.500 0.047 0.000 2.094 212 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 212 R C 2.344 178.687 176.300 0.072 0.000 1.137 212 R CA 2.144 58.281 56.100 0.062 0.000 0.943 212 R CB -0.933 29.397 30.300 0.051 0.000 0.850 212 R HN 0.570 nan 8.270 nan 0.000 0.433 213 C N 0.375 119.708 119.300 0.055 0.000 2.446 213 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 213 C C 2.613 177.640 174.990 0.061 0.000 1.275 213 C CA 1.615 60.665 59.018 0.055 0.000 1.727 213 C CB -0.959 26.805 27.740 0.039 0.000 2.010 213 C HN 0.649 nan 8.230 nan 0.000 0.486 214 T N 0.962 115.549 114.554 0.055 0.000 2.674 214 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 214 T C 2.166 176.912 174.700 0.076 0.000 1.039 214 T CA 1.756 63.890 62.100 0.056 0.000 1.150 214 T CB -0.706 68.189 68.868 0.044 0.000 0.864 214 T HN 0.675 nan 8.240 nan 0.000 0.427 215 A N 1.629 124.498 122.820 0.082 0.000 1.892 215 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 215 A C 2.647 180.326 177.584 0.157 0.000 1.188 215 A CA 2.118 54.216 52.037 0.102 0.000 0.631 215 A CB -1.561 17.495 19.000 0.094 0.000 0.822 215 A HN 0.524 nan 8.150 nan 0.000 0.447 216 G N -1.081 107.815 108.800 0.160 0.000 2.476 216 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 216 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 216 G C 1.603 176.608 174.900 0.175 0.000 1.164 216 G CA 1.819 47.037 45.100 0.197 0.000 0.768 216 G HN 0.456 nan 8.290 nan 0.000 0.560 217 T N 1.619 116.245 114.554 0.120 0.000 2.643 217 T HA -0.079 4.271 4.350 -0.000 0.000 0.264 217 T C 2.446 177.226 174.700 0.133 0.000 1.045 217 T CA 1.231 63.389 62.100 0.096 0.000 1.155 217 T CB -0.356 68.552 68.868 0.066 0.000 0.863 217 T HN 0.181 nan 8.240 nan 0.000 0.420 218 L N 0.174 121.480 121.223 0.138 0.000 2.013 218 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 218 L C 2.557 179.567 176.870 0.234 0.000 1.073 218 L CA 1.993 56.922 54.840 0.149 0.000 0.753 218 L CB -0.905 41.223 42.059 0.115 0.000 0.890 218 L HN 0.499 nan 8.230 nan 0.000 0.432 219 H N 0.659 119.807 119.070 0.131 0.000 2.251 219 H HA -0.199 4.357 4.556 -0.000 0.000 0.294 219 H C 2.162 177.690 175.328 0.332 0.000 1.078 219 H CA 1.789 57.941 56.048 0.172 0.000 1.246 219 H CB 0.188 30.057 29.762 0.178 0.000 1.358 219 H HN 0.340 nan 8.280 nan 0.000 0.488 220 N N 0.775 119.638 118.700 0.271 0.000 2.192 220 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 220 N C 2.127 177.834 175.510 0.328 0.000 1.013 220 N CA 1.193 54.316 53.050 0.122 0.000 0.863 220 N CB -0.238 38.214 38.487 -0.059 0.000 0.990 220 N HN 0.465 nan 8.380 nan 0.000 0.430 221 L N 0.865 122.249 121.223 0.268 0.000 2.240 221 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 221 L C 2.097 179.159 176.870 0.319 0.000 1.106 221 L CA 0.716 55.695 54.840 0.232 0.000 0.793 221 L CB -0.419 41.718 42.059 0.130 0.000 0.927 221 L HN 0.168 nan 8.230 nan 0.000 0.446 222 S N -2.090 113.801 115.700 0.318 0.000 2.603 222 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 222 S C 1.400 176.095 174.600 0.159 0.000 0.972 222 S CA 0.364 58.694 58.200 0.215 0.000 0.935 222 S CB -0.538 62.759 63.200 0.160 0.000 0.769 222 S HN 0.467 nan 8.310 nan 0.000 0.536 223 H N 0.619 119.785 119.070 0.160 0.000 2.529 223 H HA 0.256 4.812 4.556 -0.000 0.000 0.277 223 H C 0.027 175.196 175.328 -0.266 0.000 0.999 223 H CA 0.887 56.906 56.048 -0.049 0.000 1.256 223 H CB -0.052 29.625 29.762 -0.142 0.000 1.402 223 H HN 0.595 nan 8.280 nan 0.000 0.566 224 H N -1.513 117.628 119.070 0.118 0.000 2.569 224 H HA 0.300 4.856 4.556 -0.000 0.000 0.357 224 H C 1.082 176.422 175.328 0.020 0.000 1.153 224 H CA -0.768 55.307 56.048 0.045 0.000 1.193 224 H CB 1.453 31.240 29.762 0.042 0.000 1.602 224 H HN -0.072 nan 8.280 nan 0.000 0.523 225 R N 1.491 122.045 120.500 0.090 0.000 2.261 225 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 225 R C 1.126 177.460 176.300 0.057 0.000 1.141 225 R CA 1.912 58.034 56.100 0.037 0.000 1.001 225 R CB 0.125 30.424 30.300 -0.002 0.000 0.866 225 R HN 0.887 nan 8.270 nan 0.000 0.468 226 E N -1.435 118.820 120.200 0.092 0.000 2.016 226 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 226 E C 1.989 178.634 176.600 0.075 0.000 0.985 226 E CA 1.049 57.486 56.400 0.062 0.000 0.802 226 E CB -0.683 29.040 29.700 0.038 0.000 0.762 226 E HN 0.306 nan 8.360 nan 0.000 0.448 227 G N 1.775 110.639 108.800 0.107 0.000 2.450 227 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 227 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 227 G C 1.627 176.602 174.900 0.124 0.000 1.130 227 G CA 0.751 45.921 45.100 0.117 0.000 0.760 227 G HN 0.168 nan 8.290 nan 0.000 0.557 228 L N -0.380 120.914 121.223 0.117 0.000 2.549 228 L HA 0.158 4.498 4.340 -0.000 0.000 0.229 228 L C 2.373 179.308 176.870 0.108 0.000 1.158 228 L CA 0.148 55.055 54.840 0.112 0.000 0.842 228 L CB -0.079 42.030 42.059 0.085 0.000 0.952 228 L HN 0.233 nan 8.230 nan 0.000 0.452 229 L N -1.775 119.503 121.223 0.091 0.000 2.467 229 L HA 0.157 4.497 4.340 -0.000 0.000 0.213 229 L C 2.688 179.643 176.870 0.141 0.000 1.053 229 L CA 0.535 55.429 54.840 0.090 0.000 0.847 229 L CB -0.318 41.758 42.059 0.028 0.000 1.075 229 L HN 0.107 nan 8.230 nan 0.000 0.479 230 A N 1.002 123.886 122.820 0.106 0.000 1.865 230 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 230 A C 2.144 179.793 177.584 0.109 0.000 1.191 230 A CA 1.674 53.766 52.037 0.092 0.000 0.623 230 A CB -0.695 18.345 19.000 0.068 0.000 0.826 230 A HN 0.308 nan 8.150 nan 0.000 0.444 231 I N -2.025 118.618 120.570 0.122 0.000 2.179 231 I HA -0.238 3.931 4.170 -0.000 0.000 0.242 231 I C 2.399 178.594 176.117 0.129 0.000 1.088 231 I CA 1.789 63.156 61.300 0.111 0.000 1.357 231 I CB -0.449 37.621 38.000 0.116 0.000 1.051 231 I HN 0.420 nan 8.210 nan 0.000 0.409 232 F N 2.131 122.097 119.950 0.026 0.000 2.134 232 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 232 F C 2.455 178.265 175.800 0.016 0.000 1.097 232 F CA 1.682 59.694 58.000 0.020 0.000 1.264 232 F CB -0.173 38.840 39.000 0.021 0.000 1.001 232 F HN -0.162 nan 8.300 nan 0.000 0.479 233 K N -0.319 120.265 120.400 0.307 0.000 2.057 233 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 233 K C 2.154 178.787 176.600 0.056 0.000 1.050 233 K CA 1.299 57.699 56.287 0.187 0.000 0.935 233 K CB -1.127 31.468 32.500 0.158 0.000 0.715 233 K HN 0.237 nan 8.250 nan 0.000 0.439 234 S N 0.323 116.051 115.700 0.046 0.000 2.786 234 S HA 0.098 4.568 4.470 -0.000 0.000 0.223 234 S C 0.630 175.218 174.600 -0.020 0.000 0.956 234 S CA 0.630 58.839 58.200 0.015 0.000 0.961 234 S CB -0.869 62.347 63.200 0.028 0.000 0.784 234 S HN 0.492 nan 8.310 nan 0.000 0.519 235 G N 0.345 109.104 108.800 -0.070 0.000 2.338 235 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.296 235 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.296 235 G C 0.742 175.595 174.900 -0.078 0.000 1.040 235 G CA 0.174 45.206 45.100 -0.113 0.000 1.004 235 G HN 0.744 nan 8.290 nan 0.000 0.509 236 G N -0.374 108.391 108.800 -0.059 0.000 2.430 236 G HA2 0.084 4.044 3.960 -0.000 0.000 0.216 236 G HA3 0.084 4.044 3.960 -0.000 0.000 0.216 236 G C 1.792 176.672 174.900 -0.032 0.000 1.146 236 G CA 0.965 46.053 45.100 -0.020 0.000 0.793 236 G HN 0.613 nan 8.290 nan 0.000 0.537 237 I N 1.539 122.069 120.570 -0.068 0.000 2.118 237 I HA -0.161 4.009 4.170 -0.000 0.000 0.241 237 I C -0.136 175.951 176.117 -0.051 0.000 1.070 237 I CA 1.374 62.639 61.300 -0.059 0.000 1.327 237 I CB -0.909 37.031 38.000 -0.099 0.000 1.034 237 I HN 0.150 nan 8.210 nan 0.000 0.405 238 P HA -0.154 nan 4.420 nan 0.000 0.217 238 P C 1.422 178.705 177.300 -0.028 0.000 1.150 238 P CA 1.746 64.818 63.100 -0.047 0.000 0.832 238 P CB -0.007 31.659 31.700 -0.056 0.000 0.787 239 A N -0.592 122.214 122.820 -0.025 0.000 1.873 239 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 239 A C 2.176 179.758 177.584 -0.002 0.000 1.186 239 A CA 1.426 53.457 52.037 -0.010 0.000 0.616 239 A CB -1.646 17.351 19.000 -0.005 0.000 0.823 239 A HN 0.088 nan 8.150 nan 0.000 0.442 240 L N -0.437 120.784 121.223 -0.002 0.000 2.012 240 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 240 L C 2.507 179.378 176.870 0.001 0.000 1.073 240 L CA 1.232 56.073 54.840 0.003 0.000 0.748 240 L CB -0.683 41.377 42.059 0.001 0.000 0.891 240 L HN 0.235 nan 8.230 nan 0.000 0.431 241 V N -0.354 119.556 119.914 -0.006 0.000 2.469 241 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 241 V C 1.714 177.809 176.094 0.002 0.000 1.064 241 V CA 1.328 63.625 62.300 -0.005 0.000 1.066 241 V CB -0.656 31.160 31.823 -0.012 0.000 0.667 241 V HN 0.373 nan 8.190 nan 0.000 0.461 245 G N -0.391 108.426 108.800 0.028 0.000 3.044 245 G HA2 0.028 3.988 3.960 -0.000 0.000 0.223 245 G HA3 0.028 3.988 3.960 -0.000 0.000 0.223 245 G C 0.586 175.493 174.900 0.012 0.000 1.123 245 G CA 0.414 45.526 45.100 0.020 0.000 0.765 245 G HN 0.091 nan 8.290 nan 0.000 0.546 246 S N 1.735 117.442 115.700 0.013 0.000 2.558 246 S HA 0.149 4.619 4.470 -0.000 0.000 0.293 246 S C -0.302 174.292 174.600 -0.009 0.000 1.292 246 S CA -0.514 57.689 58.200 0.005 0.000 1.063 246 S CB 1.344 64.550 63.200 0.010 0.000 0.831 246 S HN 0.171 nan 8.310 nan 0.000 0.499 247 P HA 0.071 nan 4.420 nan 0.000 0.236 247 P C -0.234 177.049 177.300 -0.029 0.000 1.177 247 P CA 0.306 63.395 63.100 -0.019 0.000 0.773 247 P CB 0.051 31.744 31.700 -0.012 0.000 0.878 248 V N 2.839 122.739 119.914 -0.023 0.000 2.334 248 V HA 0.076 4.196 4.120 -0.000 0.000 0.267 248 V C 1.401 177.471 176.094 -0.040 0.000 1.040 248 V CA -0.125 62.160 62.300 -0.025 0.000 0.866 248 V CB 0.720 32.541 31.823 -0.005 0.000 1.019 248 V HN -0.049 nan 8.190 nan 0.000 0.468 249 D N 2.408 122.764 120.400 -0.074 0.000 2.149 249 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 249 D C 2.179 178.457 176.300 -0.037 0.000 1.001 249 D CA 1.953 55.879 54.000 -0.123 0.000 0.849 249 D CB 0.097 40.805 40.800 -0.154 0.000 0.939 249 D HN 0.605 nan 8.370 nan 0.000 0.449 250 S N 0.021 115.717 115.700 -0.008 0.000 2.374 250 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 250 S C 2.153 176.822 174.600 0.114 0.000 1.037 250 S CA 1.312 59.543 58.200 0.052 0.000 1.024 250 S CB -0.230 62.988 63.200 0.030 0.000 0.861 250 S HN 0.080 nan 8.310 nan 0.000 0.456 251 V N 2.076 122.029 119.914 0.066 0.000 2.244 251 V HA -0.128 3.992 4.120 -0.000 0.000 0.244 251 V C 2.458 178.602 176.094 0.083 0.000 1.042 251 V CA 1.967 64.308 62.300 0.070 0.000 1.006 251 V CB -0.873 30.973 31.823 0.038 0.000 0.641 251 V HN 0.479 nan 8.190 nan 0.000 0.446 252 L N -0.928 120.327 121.223 0.053 0.000 2.034 252 L HA -0.287 4.053 4.340 -0.000 0.000 0.217 252 L C 2.420 179.408 176.870 0.196 0.000 1.077 252 L CA 2.228 57.119 54.840 0.084 0.000 0.769 252 L CB -0.721 41.301 42.059 -0.061 0.000 0.890 252 L HN 0.374 nan 8.230 nan 0.000 0.435 253 F N -0.322 119.663 119.950 0.058 0.000 2.095 253 F HA -0.322 4.205 4.527 -0.000 0.000 0.298 253 F C 2.793 178.624 175.800 0.053 0.000 1.104 253 F CA 2.068 60.148 58.000 0.133 0.000 1.232 253 F CB -0.871 38.171 39.000 0.070 0.000 0.987 253 F HN 0.149 nan 8.300 nan 0.000 0.475 254 Y N -0.489 119.860 120.300 0.082 0.000 2.181 254 Y HA 0.061 4.611 4.550 -0.000 0.000 0.288 254 Y C 2.574 178.382 175.900 -0.153 0.000 1.146 254 Y CA 1.954 60.020 58.100 -0.055 0.000 1.164 254 Y CB -1.633 36.896 38.460 0.116 0.000 0.982 254 Y HN 0.295 nan 8.280 nan 0.000 0.515 255 A N -0.100 122.690 122.820 -0.050 0.000 1.858 255 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 255 A C 2.291 179.821 177.584 -0.090 0.000 1.190 255 A CA 1.740 53.751 52.037 -0.042 0.000 0.617 255 A CB -0.924 18.081 19.000 0.009 0.000 0.827 255 A HN 0.787 nan 8.150 nan 0.000 0.443 256 I N -0.006 120.509 120.570 -0.092 0.000 2.286 256 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 256 I C 2.372 178.354 176.117 -0.225 0.000 1.115 256 I CA 2.248 63.462 61.300 -0.142 0.000 1.392 256 I CB -0.432 37.477 38.000 -0.152 0.000 1.065 256 I HN 0.328 nan 8.210 nan 0.000 0.418 257 T N -0.415 113.915 114.554 -0.373 0.000 2.737 257 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 257 T C 1.797 176.347 174.700 -0.250 0.000 1.038 257 T CA 2.052 63.907 62.100 -0.408 0.000 1.144 257 T CB -0.548 67.849 68.868 -0.784 0.000 0.866 257 T HN 0.377 nan 8.240 nan 0.000 0.434 258 T N 2.659 117.059 114.554 -0.257 0.000 2.720 258 T HA 0.013 4.362 4.350 -0.000 0.000 0.268 258 T C 2.011 176.688 174.700 -0.038 0.000 1.037 258 T CA 0.902 62.946 62.100 -0.095 0.000 1.144 258 T CB -0.533 68.318 68.868 -0.029 0.000 0.864 258 T HN 0.220 nan 8.240 nan 0.000 0.444 259 L N 0.046 121.243 121.223 -0.044 0.000 2.042 259 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 259 L C 2.613 179.489 176.870 0.010 0.000 1.076 259 L CA 1.658 56.491 54.840 -0.013 0.000 0.749 259 L CB -0.682 41.361 42.059 -0.027 0.000 0.893 259 L HN 0.475 nan 8.230 nan 0.000 0.432 260 H N 0.467 119.455 119.070 -0.136 0.000 2.319 260 H HA -0.201 4.355 4.556 -0.000 0.000 0.299 260 H C 2.062 177.304 175.328 -0.143 0.000 1.092 260 H CA 2.183 58.144 56.048 -0.146 0.000 1.302 260 H CB 0.131 29.789 29.762 -0.173 0.000 1.373 260 H HN 0.462 nan 8.280 nan 0.000 0.497 261 N N 0.056 118.671 118.700 -0.142 0.000 2.104 261 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 261 N C 2.158 177.599 175.510 -0.115 0.000 1.024 261 N CA 1.029 53.979 53.050 -0.166 0.000 0.853 261 N CB 0.034 38.497 38.487 -0.039 0.000 1.008 261 N HN 0.262 nan 8.380 nan 0.000 0.424 262 L N 0.779 121.981 121.223 -0.036 0.000 2.027 262 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 262 L C 2.158 179.007 176.870 -0.036 0.000 1.074 262 L CA 0.895 55.745 54.840 0.017 0.000 0.745 262 L CB -0.453 41.652 42.059 0.075 0.000 0.898 262 L HN 0.208 nan 8.230 nan 0.000 0.433 263 L N -0.602 120.580 121.223 -0.067 0.000 2.079 263 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 263 L C 2.495 179.262 176.870 -0.171 0.000 1.081 263 L CA 1.223 56.017 54.840 -0.075 0.000 0.752 263 L CB -0.427 41.611 42.059 -0.035 0.000 0.896 263 L HN 0.291 nan 8.230 nan 0.000 0.433 264 L N -1.456 119.550 121.223 -0.363 0.000 2.044 264 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 264 L C 2.568 179.116 176.870 -0.536 0.000 1.075 264 L CA 1.019 55.514 54.840 -0.574 0.000 0.747 264 L CB -0.488 40.963 42.059 -1.013 0.000 0.903 264 L HN 0.395 nan 8.230 nan 0.000 0.435 265 H N -2.177 116.841 119.070 -0.086 0.000 2.373 265 H HA 0.071 4.626 4.556 -0.000 0.000 0.290 265 H C 0.724 176.015 175.328 -0.062 0.000 0.989 265 H CA -0.240 55.767 56.048 -0.067 0.000 1.250 265 H CB -0.295 29.427 29.762 -0.067 0.000 1.477 265 H HN 0.065 nan 8.280 nan 0.000 0.551 266 Q N 3.464 123.300 119.800 0.059 0.000 2.292 266 Q HA -0.075 4.265 4.340 -0.000 0.000 0.290 266 Q C 0.035 175.991 176.000 -0.073 0.000 1.161 266 Q CA 0.182 55.970 55.803 -0.025 0.000 0.974 266 Q CB -0.131 28.610 28.738 0.005 0.000 1.136 266 Q HN 0.354 nan 8.270 nan 0.000 0.398 267 E N 3.365 123.491 120.200 -0.124 0.000 2.465 267 E HA 0.144 4.494 4.350 -0.000 0.000 0.260 267 E C 0.533 177.046 176.600 -0.146 0.000 0.980 267 E CA 0.854 57.186 56.400 -0.113 0.000 0.927 267 E CB -0.089 29.539 29.700 -0.120 0.000 0.934 267 E HN 0.932 nan 8.360 nan 0.000 0.459 268 G N 2.767 111.563 108.800 -0.006 0.000 2.159 268 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.256 268 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.256 268 G C 0.739 175.830 174.900 0.318 0.000 0.977 268 G CA 0.497 45.674 45.100 0.128 0.000 0.652 268 G HN 0.797 nan 8.290 nan 0.000 0.531 269 A N -0.354 122.605 122.820 0.232 0.000 2.021 269 A HA 0.418 4.738 4.320 -0.000 0.000 0.216 269 A C 1.599 179.254 177.584 0.118 0.000 1.163 269 A CA 1.649 53.836 52.037 0.249 0.000 0.676 269 A CB -0.001 19.108 19.000 0.183 0.000 0.818 269 A HN 0.523 nan 8.150 nan 0.000 0.453 273 V N 2.026 121.939 119.914 -0.001 0.000 2.343 273 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 273 V C 2.554 178.641 176.094 -0.012 0.000 1.051 273 V CA 2.474 64.769 62.300 -0.009 0.000 1.036 273 V CB -0.951 30.872 31.823 0.000 0.000 0.654 273 V HN 0.543 nan 8.190 nan 0.000 0.451 274 R N -0.291 120.205 120.500 -0.007 0.000 2.080 274 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 274 R C 2.280 178.572 176.300 -0.013 0.000 1.137 274 R CA 1.326 57.420 56.100 -0.010 0.000 0.943 274 R CB -0.592 29.704 30.300 -0.007 0.000 0.846 274 R HN 0.305 nan 8.270 nan 0.000 0.431 275 L N 0.601 121.815 121.223 -0.015 0.000 2.127 275 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 275 L C 2.319 179.175 176.870 -0.024 0.000 1.089 275 L CA 1.762 56.590 54.840 -0.019 0.000 0.757 275 L CB -1.271 40.774 42.059 -0.024 0.000 0.899 275 L HN 0.257 nan 8.230 nan 0.000 0.434 276 A N -1.064 121.740 122.820 -0.028 0.000 2.235 276 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 276 A C 1.667 179.239 177.584 -0.020 0.000 1.172 276 A CA 0.868 52.888 52.037 -0.028 0.000 0.786 276 A CB -0.463 18.516 19.000 -0.035 0.000 0.804 276 A HN 0.566 nan 8.150 nan 0.000 0.479 277 G N -2.059 106.731 108.800 -0.016 0.000 2.149 277 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.235 277 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.235 277 G C 1.112 176.005 174.900 -0.011 0.000 1.018 277 G CA 0.552 45.645 45.100 -0.012 0.000 0.728 277 G HN 1.180 nan 8.290 nan 0.000 0.508 278 G N 0.190 108.982 108.800 -0.014 0.000 2.418 278 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.217 278 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.217 278 G C 1.855 176.745 174.900 -0.016 0.000 1.158 278 G CA 1.268 46.359 45.100 -0.015 0.000 0.771 278 G HN 0.648 nan 8.290 nan 0.000 0.545 279 L N -0.129 121.084 121.223 -0.016 0.000 2.012 279 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 279 L C 3.193 180.055 176.870 -0.014 0.000 1.073 279 L CA 1.524 56.353 54.840 -0.018 0.000 0.748 279 L CB -0.534 41.515 42.059 -0.017 0.000 0.891 279 L HN 0.183 nan 8.230 nan 0.000 0.431 280 Q N -0.019 119.776 119.800 -0.009 0.000 2.096 280 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 280 Q C 0.915 176.916 176.000 0.001 0.000 0.982 280 Q CA 1.135 56.936 55.803 -0.004 0.000 0.850 280 Q CB -0.173 28.564 28.738 -0.002 0.000 0.901 280 Q HN 0.241 nan 8.270 nan 0.000 0.422 284 A N 0.105 122.938 122.820 0.021 0.000 2.019 284 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 284 A C 1.857 179.477 177.584 0.060 0.000 1.164 284 A CA 1.929 53.986 52.037 0.035 0.000 0.644 284 A CB -0.394 18.624 19.000 0.030 0.000 0.805 284 A HN 0.527 nan 8.150 nan 0.000 0.449 285 L N -0.507 120.762 121.223 0.077 0.000 2.552 285 L HA 0.032 4.372 4.340 -0.000 0.000 0.227 285 L C 1.626 178.591 176.870 0.157 0.000 1.146 285 L CA 0.078 55.012 54.840 0.157 0.000 0.858 285 L CB -0.242 41.952 42.059 0.225 0.000 0.969 285 L HN 0.358 nan 8.230 nan 0.000 0.451 286 L N 0.275 121.542 121.223 0.073 0.000 2.633 286 L HA -0.144 4.196 4.340 -0.000 0.000 0.235 286 L C 1.693 178.620 176.870 0.095 0.000 1.163 286 L CA 0.975 55.850 54.840 0.057 0.000 0.859 286 L CB -0.719 41.354 42.059 0.024 0.000 0.973 286 L HN 0.579 nan 8.230 nan 0.000 0.451 287 N N -1.693 117.070 118.700 0.105 0.000 2.336 287 N HA 0.002 4.742 4.740 -0.000 0.000 0.189 287 N C 0.553 176.135 175.510 0.119 0.000 1.113 287 N CA -0.390 52.723 53.050 0.104 0.000 0.858 287 N CB 0.390 38.922 38.487 0.075 0.000 0.970 287 N HN 0.045 nan 8.380 nan 0.000 0.471 288 K N 0.978 121.470 120.400 0.152 0.000 2.132 288 K HA 0.058 4.378 4.320 -0.000 0.000 0.240 288 K C 1.163 177.848 176.600 0.143 0.000 1.036 288 K CA 0.310 56.678 56.287 0.135 0.000 0.888 288 K CB 0.933 33.554 32.500 0.202 0.000 1.071 288 K HN 0.242 nan 8.250 nan 0.000 0.502 289 T N -3.394 111.222 114.554 0.105 0.000 3.040 289 T HA 0.050 4.400 4.350 -0.000 0.000 0.266 289 T C 0.412 175.153 174.700 0.069 0.000 1.005 289 T CA -0.376 61.810 62.100 0.144 0.000 0.906 289 T CB 0.017 68.968 68.868 0.140 0.000 1.082 289 T HN 0.380 nan 8.240 nan 0.000 0.531 290 N N 2.499 121.221 118.700 0.037 0.000 2.420 290 N HA 0.131 4.871 4.740 -0.000 0.000 0.249 290 N C 1.644 177.130 175.510 -0.040 0.000 1.033 290 N CA 0.065 53.117 53.050 0.004 0.000 0.944 290 N CB 2.010 40.510 38.487 0.020 0.000 1.113 290 N HN 0.185 nan 8.380 nan 0.000 0.502 291 V N 3.099 122.892 119.914 -0.202 0.000 2.469 291 V HA -0.178 3.942 4.120 -0.000 0.000 0.251 291 V C 1.966 177.942 176.094 -0.196 0.000 1.064 291 V CA 1.372 63.478 62.300 -0.324 0.000 1.066 291 V CB -0.464 31.067 31.823 -0.487 0.000 0.667 291 V HN 0.546 nan 8.190 nan 0.000 0.461 292 K N -0.395 119.913 120.400 -0.153 0.000 2.097 292 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 292 K C 2.001 178.689 176.600 0.146 0.000 1.050 292 K CA 1.720 58.027 56.287 0.033 0.000 0.938 292 K CB -0.371 32.174 32.500 0.076 0.000 0.718 292 K HN 0.573 nan 8.250 nan 0.000 0.442 293 F N 1.890 121.868 119.950 0.047 0.000 2.134 293 F HA -0.130 4.396 4.527 -0.000 0.000 0.299 293 F C 1.690 177.467 175.800 -0.038 0.000 1.097 293 F CA 1.249 59.289 58.000 0.067 0.000 1.264 293 F CB -0.199 38.848 39.000 0.080 0.000 1.001 293 F HN -0.121 nan 8.300 nan 0.000 0.479 294 L N -0.070 121.069 121.223 -0.140 0.000 2.131 294 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 294 L C 2.759 179.481 176.870 -0.247 0.000 1.092 294 L CA 1.028 55.711 54.840 -0.262 0.000 0.759 294 L CB -1.133 40.810 42.059 -0.194 0.000 0.903 294 L HN 0.273 nan 8.230 nan 0.000 0.435 295 A N 0.194 122.932 122.820 -0.137 0.000 1.930 295 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 295 A C 2.139 179.597 177.584 -0.210 0.000 1.175 295 A CA 1.168 53.158 52.037 -0.078 0.000 0.627 295 A CB -0.354 18.709 19.000 0.104 0.000 0.815 295 A HN 0.251 nan 8.150 nan 0.000 0.443 296 I N 0.103 120.491 120.570 -0.302 0.000 2.252 296 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 296 I C 2.478 178.264 176.117 -0.552 0.000 1.102 296 I CA 1.898 62.891 61.300 -0.513 0.000 1.385 296 I CB -2.023 35.687 38.000 -0.482 0.000 1.064 296 I HN 0.229 nan 8.210 nan 0.000 0.414 297 T N 0.952 115.177 114.554 -0.548 0.000 2.708 297 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 297 T C 1.922 176.437 174.700 -0.309 0.000 1.037 297 T CA 2.295 64.110 62.100 -0.476 0.000 1.146 297 T CB -0.555 67.942 68.868 -0.618 0.000 0.865 297 T HN 0.546 nan 8.240 nan 0.000 0.435 298 T N 0.338 114.731 114.554 -0.269 0.000 2.867 298 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 298 T C 1.696 176.280 174.700 -0.194 0.000 1.057 298 T CA 1.550 63.536 62.100 -0.191 0.000 1.136 298 T CB -0.478 68.296 68.868 -0.156 0.000 0.874 298 T HN 0.260 nan 8.240 nan 0.000 0.466 299 D N 0.273 120.530 120.400 -0.238 0.000 2.144 299 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 299 D C 2.053 178.275 176.300 -0.131 0.000 0.978 299 D CA 0.646 54.527 54.000 -0.199 0.000 0.833 299 D CB -0.573 40.102 40.800 -0.208 0.000 0.961 299 D HN 0.481 nan 8.370 nan 0.000 0.470 300 C N -0.108 119.089 119.300 -0.172 0.000 2.429 300 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 300 C C 2.775 177.727 174.990 -0.063 0.000 1.262 300 C CA 0.270 59.246 59.018 -0.069 0.000 1.733 300 C CB -1.141 26.537 27.740 -0.104 0.000 2.010 300 C HN 0.426 nan 8.230 nan 0.000 0.483 301 L N 0.386 121.554 121.223 -0.092 0.000 2.083 301 L HA -0.197 4.142 4.340 -0.000 0.000 0.209 301 L C 2.911 179.750 176.870 -0.051 0.000 1.083 301 L CA 1.355 56.154 54.840 -0.068 0.000 0.752 301 L CB -0.818 41.194 42.059 -0.078 0.000 0.899 301 L HN 0.425 nan 8.230 nan 0.000 0.433 302 Q N 0.792 120.549 119.800 -0.072 0.000 2.079 302 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 302 Q C 2.265 178.258 176.000 -0.012 0.000 0.974 302 Q CA 1.664 57.430 55.803 -0.062 0.000 0.840 302 Q CB -0.083 28.574 28.738 -0.135 0.000 0.898 302 Q HN 0.549 nan 8.270 nan 0.000 0.430 303 I N 0.609 121.167 120.570 -0.021 0.000 2.286 303 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 303 I C 2.250 178.389 176.117 0.037 0.000 1.115 303 I CA 0.866 62.170 61.300 0.008 0.000 1.392 303 I CB -0.200 37.797 38.000 -0.005 0.000 1.065 303 I HN 0.155 nan 8.210 nan 0.000 0.418 304 L N 0.124 121.355 121.223 0.014 0.000 2.179 304 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 304 L C 2.670 179.546 176.870 0.010 0.000 1.096 304 L CA 0.966 55.812 54.840 0.010 0.000 0.779 304 L CB -0.481 41.574 42.059 -0.006 0.000 0.922 304 L HN 0.179 nan 8.230 nan 0.000 0.443 305 A N -1.084 121.745 122.820 0.015 0.000 1.975 305 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 305 A C 0.884 178.471 177.584 0.005 0.000 1.170 305 A CA 0.057 52.095 52.037 0.003 0.000 0.656 305 A CB -0.482 18.517 19.000 -0.001 0.000 0.821 305 A HN 0.288 nan 8.150 nan 0.000 0.449 306 Y N 1.463 121.732 120.300 -0.051 0.000 2.810 306 Y HA 0.287 4.837 4.550 -0.000 0.000 0.332 306 Y C 1.344 177.218 175.900 -0.042 0.000 1.243 306 Y CA 0.465 58.535 58.100 -0.051 0.000 1.537 306 Y CB -0.110 38.315 38.460 -0.057 0.000 1.265 306 Y HN 0.543 nan 8.280 nan 0.000 0.572 307 G N 5.158 113.400 108.800 -0.930 0.000 2.390 307 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.299 307 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.299 307 G C -0.021 174.706 174.900 -0.289 0.000 1.002 307 G CA 0.579 45.290 45.100 -0.647 0.000 0.979 307 G HN 0.907 nan 8.290 nan 0.000 0.513 308 N N -0.443 118.139 118.700 -0.197 0.000 2.751 308 N HA 0.173 4.913 4.740 -0.000 0.000 0.238 308 N C 1.138 176.599 175.510 -0.082 0.000 1.351 308 N CA -0.261 52.724 53.050 -0.110 0.000 0.751 308 N CB 0.872 39.315 38.487 -0.073 0.000 1.342 308 N HN 0.159 nan 8.380 nan 0.000 0.540 309 Q N 1.190 120.941 119.800 -0.080 0.000 2.217 309 Q HA -0.177 4.163 4.340 -0.000 0.000 0.209 309 Q C 1.460 177.435 176.000 -0.042 0.000 0.988 309 Q CA 1.939 57.706 55.803 -0.059 0.000 0.878 309 Q CB 0.105 28.811 28.738 -0.054 0.000 0.909 309 Q HN 0.710 nan 8.270 nan 0.000 0.424 310 E N -1.160 119.017 120.200 -0.039 0.000 2.051 310 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 310 E C 1.770 178.355 176.600 -0.025 0.000 0.991 310 E CA 1.444 57.827 56.400 -0.028 0.000 0.799 310 E CB -0.090 29.595 29.700 -0.025 0.000 0.748 310 E HN 0.407 nan 8.360 nan 0.000 0.449 311 S N 0.629 116.312 115.700 -0.028 0.000 2.382 311 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 311 S C 1.721 176.307 174.600 -0.023 0.000 1.027 311 S CA 1.098 59.284 58.200 -0.023 0.000 0.991 311 S CB -0.137 63.050 63.200 -0.023 0.000 0.823 311 S HN 0.240 nan 8.310 nan 0.000 0.469 312 K N 1.124 121.508 120.400 -0.028 0.000 2.063 312 K HA -0.032 4.288 4.320 -0.000 0.000 0.208 312 K C 1.959 178.548 176.600 -0.019 0.000 1.048 312 K CA 1.067 57.340 56.287 -0.024 0.000 0.928 312 K CB -0.420 32.062 32.500 -0.030 0.000 0.713 312 K HN 0.315 nan 8.250 nan 0.000 0.442 313 L N 0.689 121.901 121.223 -0.019 0.000 2.141 313 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 313 L C 2.312 179.175 176.870 -0.012 0.000 1.094 313 L CA 0.950 55.781 54.840 -0.015 0.000 0.763 313 L CB -0.335 41.715 42.059 -0.015 0.000 0.908 313 L HN 0.179 nan 8.230 nan 0.000 0.437 314 I N -0.274 120.287 120.570 -0.013 0.000 2.353 314 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 314 I C 2.381 178.492 176.117 -0.010 0.000 1.119 314 I CA 1.243 62.536 61.300 -0.011 0.000 1.417 314 I CB -0.119 37.873 38.000 -0.012 0.000 1.078 314 I HN 0.154 nan 8.210 nan 0.000 0.421 315 I N 0.308 120.870 120.570 -0.012 0.000 2.226 315 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 315 I C 2.523 178.636 176.117 -0.007 0.000 1.100 315 I CA 1.167 62.460 61.300 -0.012 0.000 1.374 315 I CB -0.264 37.727 38.000 -0.015 0.000 1.057 315 I HN 0.261 nan 8.210 nan 0.000 0.413 316 L N 1.338 122.556 121.223 -0.007 0.000 2.017 316 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 316 L C 2.534 179.402 176.870 -0.002 0.000 1.073 316 L CA 2.214 57.051 54.840 -0.004 0.000 0.745 316 L CB -0.850 41.206 42.059 -0.005 0.000 0.894 316 L HN 0.166 nan 8.230 nan 0.000 0.432 317 A N -1.580 121.238 122.820 -0.004 0.000 2.019 317 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 317 A C 2.222 179.805 177.584 -0.000 0.000 1.164 317 A CA 1.700 53.736 52.037 -0.002 0.000 0.644 317 A CB -0.729 18.268 19.000 -0.004 0.000 0.805 317 A HN 0.539 nan 8.150 nan 0.000 0.449 318 S N -1.523 114.176 115.700 -0.001 0.000 2.593 318 S HA 0.356 4.826 4.470 -0.000 0.000 0.217 318 S C 1.326 175.929 174.600 0.004 0.000 0.966 318 S CA 0.735 58.936 58.200 0.001 0.000 0.914 318 S CB 0.042 63.242 63.200 -0.001 0.000 0.776 318 S HN 1.594 nan 8.310 nan 0.000 0.523 319 G N 0.957 109.759 108.800 0.004 0.000 2.132 319 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.234 319 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.234 319 G C 0.865 175.770 174.900 0.008 0.000 0.989 319 G CA 0.233 45.337 45.100 0.008 0.000 0.676 319 G HN 0.585 nan 8.290 nan 0.000 0.522 320 G N 1.150 109.952 108.800 0.003 0.000 2.491 320 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.218 320 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.218 320 G C 0.160 175.063 174.900 0.006 0.000 1.180 320 G CA 1.911 47.011 45.100 0.001 0.000 0.774 320 G HN 0.539 nan 8.290 nan 0.000 0.562 321 P HA -0.198 nan 4.420 nan 0.000 0.214 321 P C 1.886 179.197 177.300 0.018 0.000 1.169 321 P CA 1.974 65.080 63.100 0.011 0.000 0.908 321 P CB -0.051 31.655 31.700 0.010 0.000 0.791 322 Q N -0.492 119.319 119.800 0.019 0.000 2.096 322 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 322 Q C 2.055 178.074 176.000 0.032 0.000 0.982 322 Q CA 2.196 58.014 55.803 0.024 0.000 0.850 322 Q CB -1.319 27.432 28.738 0.021 0.000 0.901 322 Q HN 0.128 nan 8.270 nan 0.000 0.422 323 A N -0.202 122.637 122.820 0.031 0.000 1.898 323 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 323 A C 2.079 179.692 177.584 0.048 0.000 1.181 323 A CA 1.374 53.436 52.037 0.041 0.000 0.620 323 A CB -0.680 18.340 19.000 0.033 0.000 0.819 323 A HN 0.439 nan 8.150 nan 0.000 0.442 324 L N -0.688 120.554 121.223 0.032 0.000 2.056 324 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 324 L C 2.472 179.372 176.870 0.050 0.000 1.078 324 L CA 0.835 55.693 54.840 0.030 0.000 0.749 324 L CB -0.527 41.537 42.059 0.010 0.000 0.901 324 L HN 0.221 nan 8.230 nan 0.000 0.433 325 V N 0.197 120.139 119.914 0.048 0.000 2.407 325 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 325 V C 2.215 178.352 176.094 0.073 0.000 1.055 325 V CA 1.676 64.010 62.300 0.057 0.000 1.049 325 V CB -0.678 31.172 31.823 0.044 0.000 0.662 325 V HN 0.494 nan 8.190 nan 0.000 0.455 326 N N -0.018 118.724 118.700 0.070 0.000 2.166 326 N HA -0.029 4.711 4.740 -0.000 0.000 0.186 326 N C 0.984 176.565 175.510 0.118 0.000 1.019 326 N CA 0.877 53.973 53.050 0.076 0.000 0.856 326 N CB -0.246 38.282 38.487 0.069 0.000 0.993 326 N HN 0.401 nan 8.380 nan 0.000 0.426 330 T N -0.230 114.312 114.554 -0.019 0.000 3.087 330 T HA 0.211 4.561 4.350 -0.000 0.000 0.237 330 T C 0.243 174.727 174.700 -0.359 0.000 0.990 330 T CA 0.769 62.713 62.100 -0.260 0.000 1.160 330 T CB -0.006 68.554 68.868 -0.514 0.000 0.923 330 T HN -0.054 nan 8.240 nan 0.000 0.442 331 Y N 1.799 122.163 120.300 0.106 0.000 2.334 331 Y HA 0.388 4.938 4.550 -0.000 0.000 0.325 331 Y C 1.893 177.883 175.900 0.150 0.000 1.308 331 Y CA -0.352 57.819 58.100 0.118 0.000 1.389 331 Y CB 0.583 39.114 38.460 0.119 0.000 1.328 331 Y HN 0.102 nan 8.280 nan 0.000 0.532 332 T N -3.828 110.922 114.554 0.327 0.000 3.016 332 T HA 0.079 4.429 4.350 -0.000 0.000 0.271 332 T C -0.265 174.586 174.700 0.252 0.000 0.968 332 T CA -0.164 62.084 62.100 0.247 0.000 0.891 332 T CB -0.596 68.379 68.868 0.178 0.000 1.149 332 T HN 0.398 nan 8.240 nan 0.000 0.524 333 Y N 3.832 124.224 120.300 0.153 0.000 2.754 333 Y HA 0.214 4.764 4.550 -0.000 0.000 0.349 333 Y C 1.683 177.630 175.900 0.077 0.000 1.179 333 Y CA -1.102 57.057 58.100 0.098 0.000 1.538 333 Y CB 0.449 38.957 38.460 0.079 0.000 1.200 333 Y HN 0.146 nan 8.280 nan 0.000 0.522 334 E N 4.369 124.452 120.200 -0.194 0.000 2.065 334 E HA -0.336 4.014 4.350 -0.000 0.000 0.201 334 E C 1.811 178.304 176.600 -0.177 0.000 1.016 334 E CA 1.973 58.268 56.400 -0.174 0.000 0.818 334 E CB 0.131 29.720 29.700 -0.186 0.000 0.749 334 E HN 0.736 nan 8.360 nan 0.000 0.453 335 K N 0.613 120.752 120.400 -0.435 0.000 2.074 335 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 335 K C 2.265 178.907 176.600 0.070 0.000 1.048 335 K CA 1.382 57.568 56.287 -0.169 0.000 0.926 335 K CB -0.670 31.623 32.500 -0.345 0.000 0.713 335 K HN 0.195 nan 8.250 nan 0.000 0.444 336 L N 0.306 121.569 121.223 0.066 0.000 2.072 336 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 336 L C 1.887 178.797 176.870 0.066 0.000 1.079 336 L CA 1.465 56.385 54.840 0.134 0.000 0.752 336 L CB -0.378 41.810 42.059 0.216 0.000 0.906 336 L HN 0.264 nan 8.230 nan 0.000 0.436 337 L N -1.911 119.347 121.223 0.058 0.000 2.046 337 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 337 L C 2.392 179.275 176.870 0.023 0.000 1.077 337 L CA 1.600 56.425 54.840 -0.025 0.000 0.747 337 L CB -0.851 41.120 42.059 -0.146 0.000 0.896 337 L HN 0.509 nan 8.230 nan 0.000 0.432 338 W N 1.155 122.388 121.300 -0.111 0.000 2.354 338 W HA -0.211 4.449 4.660 0.000 0.000 0.315 338 W C 2.563 179.050 176.519 -0.053 0.000 1.206 338 W CA 2.183 59.479 57.345 -0.082 0.000 1.290 338 W CB -0.688 28.722 29.460 -0.085 0.000 1.152 338 W HN -0.043 nan 8.180 nan 0.000 0.489 339 T N 0.134 114.566 114.554 -0.205 0.000 2.720 339 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 339 T C 1.612 176.142 174.700 -0.284 0.000 1.037 339 T CA 2.432 64.276 62.100 -0.427 0.000 1.144 339 T CB -0.828 67.912 68.868 -0.213 0.000 0.864 339 T HN 0.173 nan 8.240 nan 0.000 0.444 340 T N 2.081 116.545 114.554 -0.150 0.000 2.821 340 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 340 T C 2.469 177.110 174.700 -0.099 0.000 1.046 340 T CA 1.487 63.525 62.100 -0.103 0.000 1.139 340 T CB -0.425 68.415 68.868 -0.046 0.000 0.871 340 T HN 0.620 nan 8.240 nan 0.000 0.454 341 S N 1.885 117.522 115.700 -0.104 0.000 2.402 341 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 341 S C 2.039 176.588 174.600 -0.087 0.000 1.021 341 S CA 0.616 58.779 58.200 -0.062 0.000 0.974 341 S CB -0.341 62.847 63.200 -0.020 0.000 0.800 341 S HN 0.458 nan 8.310 nan 0.000 0.484 342 R N 0.620 120.991 120.500 -0.214 0.000 2.075 342 R HA 0.053 4.392 4.340 -0.000 0.000 0.232 342 R C 2.332 178.557 176.300 -0.125 0.000 1.126 342 R CA 1.330 57.301 56.100 -0.215 0.000 0.963 342 R CB -0.776 29.265 30.300 -0.432 0.000 0.858 342 R HN 0.353 nan 8.270 nan 0.000 0.435 343 V N 1.744 121.582 119.914 -0.128 0.000 2.295 343 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 343 V C 2.351 178.425 176.094 -0.034 0.000 1.049 343 V CA 1.710 63.966 62.300 -0.074 0.000 1.024 343 V CB -0.490 31.288 31.823 -0.076 0.000 0.648 343 V HN 0.273 nan 8.190 nan 0.000 0.447 344 L N -0.148 121.059 121.223 -0.027 0.000 2.042 344 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 344 L C 2.626 179.508 176.870 0.019 0.000 1.076 344 L CA 2.029 56.870 54.840 0.002 0.000 0.749 344 L CB -0.641 41.425 42.059 0.013 0.000 0.893 344 L HN 0.340 nan 8.230 nan 0.000 0.432 345 K N 0.130 120.546 120.400 0.027 0.000 2.026 345 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 345 K C 2.019 178.642 176.600 0.038 0.000 1.048 345 K CA 1.515 57.836 56.287 0.057 0.000 0.929 345 K CB -0.017 32.536 32.500 0.089 0.000 0.713 345 K HN 0.084 nan 8.250 nan 0.000 0.439 346 V N 1.737 121.669 119.914 0.031 0.000 2.343 346 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 346 V C 2.189 178.293 176.094 0.015 0.000 1.051 346 V CA 1.587 63.914 62.300 0.045 0.000 1.036 346 V CB -0.298 31.565 31.823 0.066 0.000 0.654 346 V HN 0.334 nan 8.190 nan 0.000 0.451 347 L N 0.546 121.774 121.223 0.008 0.000 2.341 347 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 347 L C 2.523 179.397 176.870 0.006 0.000 1.115 347 L CA 1.167 56.008 54.840 0.001 0.000 0.820 347 L CB -0.601 41.458 42.059 -0.001 0.000 0.944 347 L HN 0.506 nan 8.230 nan 0.000 0.452 348 S N -0.023 115.687 115.700 0.016 0.000 2.507 348 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 348 S C 1.600 176.209 174.600 0.015 0.000 0.988 348 S CA 0.877 59.090 58.200 0.022 0.000 0.944 348 S CB -0.586 62.637 63.200 0.039 0.000 0.762 348 S HN 0.357 nan 8.310 nan 0.000 0.526 349 V N -1.494 118.423 119.914 0.005 0.000 3.647 349 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 349 V C 0.962 177.049 176.094 -0.011 0.000 1.314 349 V CA -0.484 61.814 62.300 -0.004 0.000 1.125 349 V CB -1.360 30.453 31.823 -0.015 0.000 0.907 349 V HN 0.637 nan 8.190 nan 0.000 0.434 350 C N 2.694 121.988 119.300 -0.010 0.000 2.394 350 C HA 0.536 4.996 4.460 -0.000 0.000 0.362 350 C C 2.373 177.358 174.990 -0.007 0.000 1.268 350 C CA 0.396 59.406 59.018 -0.014 0.000 1.828 350 C CB 0.243 27.974 27.740 -0.016 0.000 2.442 350 C HN 0.753 nan 8.230 nan 0.000 0.549 351 S N 3.936 119.631 115.700 -0.008 0.000 2.440 351 S HA -0.133 4.337 4.470 -0.000 0.000 0.240 351 S C 1.567 176.166 174.600 -0.003 0.000 1.014 351 S CA 1.849 60.047 58.200 -0.004 0.000 0.980 351 S CB -0.233 62.964 63.200 -0.005 0.000 0.775 351 S HN 0.840 nan 8.310 nan 0.000 0.499 352 S N 1.959 117.656 115.700 -0.005 0.000 2.412 352 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 352 S C 1.871 176.470 174.600 -0.002 0.000 1.048 352 S CA 0.243 58.440 58.200 -0.004 0.000 0.954 352 S CB -0.431 62.765 63.200 -0.006 0.000 0.840 352 S HN 0.555 nan 8.310 nan 0.000 0.503 353 N N 1.650 120.348 118.700 -0.003 0.000 2.166 353 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 353 N C 1.726 177.239 175.510 0.005 0.000 1.019 353 N CA 0.817 53.867 53.050 0.000 0.000 0.856 353 N CB -0.171 38.315 38.487 -0.002 0.000 0.993 353 N HN 0.392 nan 8.380 nan 0.000 0.426 354 K N 1.395 121.798 120.400 0.005 0.000 1.987 354 K HA -0.138 4.182 4.320 -0.000 0.000 0.216 354 K C -0.865 175.741 176.600 0.010 0.000 1.051 354 K CA 1.623 57.916 56.287 0.010 0.000 0.942 354 K CB -0.837 31.669 32.500 0.010 0.000 0.722 354 K HN 0.121 nan 8.250 nan 0.000 0.444 355 P HA -0.140 nan 4.420 nan 0.000 0.220 355 P C 0.964 178.267 177.300 0.006 0.000 1.148 355 P CA 1.755 64.859 63.100 0.006 0.000 0.803 355 P CB -0.017 31.685 31.700 0.004 0.000 0.782 356 A N 0.257 123.080 122.820 0.006 0.000 1.873 356 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 356 A C 2.362 179.952 177.584 0.010 0.000 1.186 356 A CA 1.185 53.227 52.037 0.007 0.000 0.616 356 A CB -1.461 17.543 19.000 0.005 0.000 0.823 356 A HN 0.106 nan 8.150 nan 0.000 0.442 357 I N -0.394 120.183 120.570 0.012 0.000 2.226 357 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 357 I C 2.323 178.451 176.117 0.017 0.000 1.100 357 I CA 1.055 62.365 61.300 0.017 0.000 1.374 357 I CB -0.358 37.653 38.000 0.019 0.000 1.057 357 I HN 0.140 nan 8.210 nan 0.000 0.413 358 V N 0.838 120.761 119.914 0.015 0.000 2.343 358 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 358 V C 2.524 178.624 176.094 0.010 0.000 1.051 358 V CA 2.247 64.555 62.300 0.013 0.000 1.036 358 V CB -0.647 31.182 31.823 0.010 0.000 0.654 358 V HN 0.518 nan 8.190 nan 0.000 0.451 359 E N 0.460 120.665 120.200 0.008 0.000 2.110 359 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 359 E C 2.002 178.608 176.600 0.009 0.000 0.988 359 E CA 1.218 57.622 56.400 0.007 0.000 0.804 359 E CB -0.209 29.495 29.700 0.006 0.000 0.745 359 E HN 0.576 nan 8.360 nan 0.000 0.458 360 A N 0.140 122.967 122.820 0.012 0.000 2.239 360 A HA 0.166 4.486 4.320 -0.000 0.000 0.209 360 A C 1.600 179.194 177.584 0.017 0.000 1.171 360 A CA 0.969 53.016 52.037 0.015 0.000 0.768 360 A CB -0.556 18.455 19.000 0.019 0.000 0.790 360 A HN 0.501 nan 8.150 nan 0.000 0.478 361 G N -1.755 107.054 108.800 0.015 0.000 2.142 361 G HA2 0.016 3.976 3.960 -0.000 0.000 0.225 361 G HA3 0.016 3.976 3.960 -0.000 0.000 0.225 361 G C 0.735 175.649 174.900 0.023 0.000 1.015 361 G CA 0.280 45.389 45.100 0.015 0.000 0.716 361 G HN 1.325 nan 8.290 nan 0.000 0.508 365 A N 1.009 123.850 122.820 0.034 0.000 1.877 365 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 365 A C 1.844 179.500 177.584 0.120 0.000 1.186 365 A CA 1.606 53.682 52.037 0.065 0.000 0.620 365 A CB -0.684 18.365 19.000 0.083 0.000 0.822 365 A HN 0.289 nan 8.150 nan 0.000 0.443 366 L N -0.666 120.628 121.223 0.119 0.000 2.141 366 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 366 L C 2.767 179.709 176.870 0.121 0.000 1.094 366 L CA 0.906 55.843 54.840 0.161 0.000 0.763 366 L CB -0.675 41.445 42.059 0.101 0.000 0.908 366 L HN 0.495 nan 8.230 nan 0.000 0.437 367 G N 0.084 108.911 108.800 0.045 0.000 2.448 367 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 367 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 367 G C 1.596 176.464 174.900 -0.053 0.000 1.127 367 G CA 0.383 45.485 45.100 0.003 0.000 0.766 367 G HN 0.269 nan 8.290 nan 0.000 0.552 368 L N -0.021 121.122 121.223 -0.132 0.000 2.187 368 L HA -0.078 4.262 4.340 -0.000 0.000 0.213 368 L C 2.044 178.644 176.870 -0.451 0.000 1.100 368 L CA 0.834 55.485 54.840 -0.316 0.000 0.765 368 L CB -0.353 41.432 42.059 -0.456 0.000 0.904 368 L HN 0.316 nan 8.230 nan 0.000 0.437 369 H N -0.832 118.246 119.070 0.012 0.000 2.549 369 H HA 0.184 4.740 4.556 -0.000 0.000 0.279 369 H C 1.969 177.295 175.328 -0.002 0.000 1.018 369 H CA 0.032 56.087 56.048 0.012 0.000 1.175 369 H CB 0.473 30.251 29.762 0.027 0.000 1.485 369 H HN 0.341 nan 8.280 nan 0.000 0.543 370 L N 1.072 122.320 121.223 0.043 0.000 2.549 370 L HA -0.065 4.275 4.340 -0.000 0.000 0.229 370 L C 1.495 178.366 176.870 0.001 0.000 1.158 370 L CA 1.406 56.256 54.840 0.017 0.000 0.842 370 L CB -0.161 41.897 42.059 -0.002 0.000 0.952 370 L HN 0.245 nan 8.230 nan 0.000 0.452 371 T N -5.744 108.811 114.554 0.001 0.000 3.200 371 T HA 0.098 4.448 4.350 -0.000 0.000 0.284 371 T C 0.357 175.060 174.700 0.005 0.000 1.009 371 T CA -0.588 61.508 62.100 -0.006 0.000 0.907 371 T CB -0.032 68.828 68.868 -0.014 0.000 1.120 371 T HN 0.045 nan 8.240 nan 0.000 0.534 372 D N 3.000 123.418 120.400 0.029 0.000 2.414 372 D HA 0.092 4.732 4.640 -0.000 0.000 0.242 372 D C -1.006 175.296 176.300 0.004 0.000 1.129 372 D CA -1.468 52.555 54.000 0.039 0.000 0.885 372 D CB 1.955 42.806 40.800 0.085 0.000 1.198 372 D HN 0.061 nan 8.370 nan 0.000 0.437 373 P HA -0.090 nan 4.420 nan 0.000 0.225 373 P C 0.478 177.751 177.300 -0.045 0.000 1.148 373 P CA 0.333 63.418 63.100 -0.025 0.000 0.779 373 P CB 0.233 31.920 31.700 -0.023 0.000 0.780 374 S N 0.773 116.443 115.700 -0.049 0.000 2.416 374 S HA 0.081 4.551 4.470 -0.000 0.000 0.302 374 S C 1.398 175.946 174.600 -0.086 0.000 1.120 374 S CA -0.531 57.617 58.200 -0.087 0.000 1.067 374 S CB 0.071 63.209 63.200 -0.104 0.000 1.057 374 S HN -0.069 nan 8.310 nan 0.000 0.518 375 Q N 4.512 124.252 119.800 -0.099 0.000 2.135 375 Q HA -0.184 4.155 4.340 -0.000 0.000 0.204 375 Q C 2.254 178.185 176.000 -0.114 0.000 0.981 375 Q CA 1.822 57.565 55.803 -0.101 0.000 0.856 375 Q CB -0.342 28.338 28.738 -0.096 0.000 0.902 375 Q HN 0.933 nan 8.270 nan 0.000 0.425 376 R N 0.087 120.506 120.500 -0.136 0.000 2.115 376 R HA -0.091 4.249 4.340 -0.000 0.000 0.230 376 R C 2.156 178.486 176.300 0.050 0.000 1.111 376 R CA 1.194 57.241 56.100 -0.089 0.000 0.976 376 R CB -0.638 29.495 30.300 -0.278 0.000 0.870 376 R HN 0.173 nan 8.270 nan 0.000 0.445 377 L N 1.217 122.447 121.223 0.012 0.000 2.072 377 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 377 L C 2.130 179.024 176.870 0.040 0.000 1.079 377 L CA 1.287 56.193 54.840 0.110 0.000 0.752 377 L CB -0.236 41.852 42.059 0.048 0.000 0.906 377 L HN 0.041 nan 8.230 nan 0.000 0.436 378 V N -0.304 119.597 119.914 -0.021 0.000 2.295 378 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 378 V C 2.650 178.661 176.094 -0.139 0.000 1.049 378 V CA 1.848 64.118 62.300 -0.050 0.000 1.024 378 V CB -0.651 31.132 31.823 -0.066 0.000 0.648 378 V HN 0.544 nan 8.190 nan 0.000 0.447 379 Q N 0.582 120.235 119.800 -0.245 0.000 2.124 379 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 379 Q C 2.023 177.668 176.000 -0.591 0.000 0.977 379 Q CA 1.825 57.293 55.803 -0.558 0.000 0.850 379 Q CB -0.482 27.816 28.738 -0.733 0.000 0.901 379 Q HN 0.634 nan 8.270 nan 0.000 0.429 380 N N -0.940 117.645 118.700 -0.191 0.000 2.188 380 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 380 N C 1.673 177.237 175.510 0.091 0.000 1.018 380 N CA 1.323 54.433 53.050 0.101 0.000 0.858 380 N CB -0.261 38.344 38.487 0.196 0.000 0.989 380 N HN 0.322 nan 8.380 nan 0.000 0.426 381 C N 0.875 120.191 119.300 0.028 0.000 2.440 381 C HA 0.025 4.485 4.460 -0.000 0.000 0.278 381 C C 2.848 177.862 174.990 0.039 0.000 1.295 381 C CA 0.158 59.206 59.018 0.051 0.000 1.738 381 C CB -1.125 26.654 27.740 0.066 0.000 1.987 381 C HN 0.397 nan 8.230 nan 0.000 0.492 382 L N -0.763 120.437 121.223 -0.039 0.000 2.056 382 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 382 L C 2.732 179.646 176.870 0.074 0.000 1.078 382 L CA 1.396 56.213 54.840 -0.038 0.000 0.749 382 L CB -0.567 41.402 42.059 -0.150 0.000 0.901 382 L HN 0.478 nan 8.230 nan 0.000 0.433 383 W N 0.407 121.728 121.300 0.034 0.000 2.358 383 W HA -0.140 4.520 4.660 0.000 0.000 0.303 383 W C 2.679 179.213 176.519 0.025 0.000 1.208 383 W CA 1.504 58.866 57.345 0.029 0.000 1.274 383 W CB -1.476 28.001 29.460 0.029 0.000 1.138 383 W HN 0.178 nan 8.180 nan 0.000 0.515 384 T N 1.205 115.913 114.554 0.257 0.000 2.777 384 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 384 T C 2.141 176.908 174.700 0.112 0.000 1.040 384 T CA 1.201 63.392 62.100 0.151 0.000 1.141 384 T CB -0.655 68.281 68.868 0.113 0.000 0.868 384 T HN 0.012 nan 8.240 nan 0.000 0.444 385 L N 0.540 121.824 121.223 0.102 0.000 2.042 385 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 385 L C 2.897 179.813 176.870 0.077 0.000 1.076 385 L CA 1.369 56.254 54.840 0.074 0.000 0.749 385 L CB -0.436 41.657 42.059 0.057 0.000 0.893 385 L HN 0.176 nan 8.230 nan 0.000 0.432 386 R N 0.158 120.720 120.500 0.103 0.000 2.081 386 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 386 R C 2.085 178.434 176.300 0.082 0.000 1.131 386 R CA 1.677 57.836 56.100 0.099 0.000 0.960 386 R CB -0.073 30.309 30.300 0.137 0.000 0.856 386 R HN 0.411 nan 8.270 nan 0.000 0.436 387 N N 0.627 119.378 118.700 0.085 0.000 2.142 387 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 387 N C 1.849 177.387 175.510 0.045 0.000 1.023 387 N CA 1.198 54.283 53.050 0.059 0.000 0.852 387 N CB -0.178 38.341 38.487 0.053 0.000 0.998 387 N HN 0.277 nan 8.380 nan 0.000 0.424 388 L N 0.878 122.130 121.223 0.048 0.000 2.109 388 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 388 L C 2.275 179.163 176.870 0.030 0.000 1.086 388 L CA 0.948 55.809 54.840 0.036 0.000 0.760 388 L CB -0.514 41.567 42.059 0.037 0.000 0.910 388 L HN 0.184 nan 8.230 nan 0.000 0.437 389 S N -1.477 114.245 115.700 0.035 0.000 2.474 389 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 389 S C 0.797 175.413 174.600 0.028 0.000 0.997 389 S CA 0.285 58.502 58.200 0.029 0.000 0.949 389 S CB -0.580 62.641 63.200 0.036 0.000 0.766 389 S HN 0.369 nan 8.310 nan 0.000 0.517 390 D N 1.852 122.271 120.400 0.032 0.000 2.344 390 D HA 0.461 5.101 4.640 -0.000 0.000 0.253 390 D C 0.601 176.913 176.300 0.020 0.000 1.255 390 D CA 0.657 54.675 54.000 0.031 0.000 0.894 390 D CB 0.111 40.932 40.800 0.035 0.000 1.067 390 D HN 0.508 nan 8.370 nan 0.000 0.492 391 A N 2.641 125.469 122.820 0.012 0.000 2.930 391 A HA 0.001 4.321 4.320 -0.000 0.000 0.273 391 A C 0.689 178.274 177.584 0.002 0.000 1.435 391 A CA 0.722 52.761 52.037 0.004 0.000 0.780 391 A CB -2.094 16.911 19.000 0.008 0.000 1.034 391 A HN 0.975 nan 8.150 nan 0.000 0.562 392 A N 0.301 123.121 122.820 0.001 0.000 2.287 392 A HA 0.762 5.082 4.320 -0.000 0.000 0.273 392 A C 0.984 178.563 177.584 -0.008 0.000 1.091 392 A CA 0.587 52.624 52.037 -0.001 0.000 0.817 392 A CB -0.019 18.981 19.000 0.001 0.000 1.069 392 A HN 1.954 nan 8.150 nan 0.000 0.492 393 T N -0.235 114.314 114.554 -0.008 0.000 2.860 393 T HA 0.306 4.656 4.350 -0.000 0.000 0.299 393 T C 0.048 174.736 174.700 -0.020 0.000 1.045 393 T CA -0.375 61.718 62.100 -0.012 0.000 1.071 393 T CB 0.080 68.943 68.868 -0.008 0.000 0.985 393 T HN 0.539 nan 8.240 nan 0.000 0.537 394 K N 2.266 122.649 120.400 -0.028 0.000 2.401 394 K HA 0.137 4.457 4.320 -0.000 0.000 0.278 394 K C 0.479 177.057 176.600 -0.037 0.000 1.018 394 K CA -0.334 55.927 56.287 -0.044 0.000 0.981 394 K CB 0.356 32.821 32.500 -0.059 0.000 0.933 394 K HN 0.535 nan 8.250 nan 0.000 0.477 395 Q N 1.808 121.584 119.800 -0.040 0.000 2.306 395 Q HA 0.321 4.661 4.340 -0.000 0.000 0.269 395 Q C -0.271 175.706 176.000 -0.038 0.000 1.053 395 Q CA -0.659 55.126 55.803 -0.031 0.000 0.879 395 Q CB 1.822 30.547 28.738 -0.022 0.000 1.344 395 Q HN 0.474 nan 8.270 nan 0.000 0.464 396 E N -0.300 119.883 120.200 -0.028 0.000 2.249 396 E HA 0.641 4.991 4.350 -0.000 0.000 0.263 396 E C 0.107 176.693 176.600 -0.024 0.000 0.950 396 E CA -0.329 56.054 56.400 -0.028 0.000 0.827 396 E CB 1.439 31.126 29.700 -0.021 0.000 1.220 396 E HN 0.748 nan 8.360 nan 0.000 0.411 400 G N 1.821 110.608 108.800 -0.022 0.000 2.446 400 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 400 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 400 G C 1.498 176.385 174.900 -0.022 0.000 1.168 400 G CA 1.409 46.496 45.100 -0.023 0.000 0.771 400 G HN 0.118 nan 8.290 nan 0.000 0.551 401 L N 0.659 121.869 121.223 -0.021 0.000 2.012 401 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 401 L C 2.711 179.572 176.870 -0.014 0.000 1.073 401 L CA 1.516 56.346 54.840 -0.016 0.000 0.748 401 L CB -0.679 41.373 42.059 -0.012 0.000 0.891 401 L HN 0.244 nan 8.230 nan 0.000 0.431 402 L N -0.732 120.481 121.223 -0.016 0.000 2.046 402 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 402 L C 2.527 179.389 176.870 -0.015 0.000 1.077 402 L CA 1.242 56.072 54.840 -0.016 0.000 0.747 402 L CB -1.362 40.684 42.059 -0.022 0.000 0.896 402 L HN 0.478 nan 8.230 nan 0.000 0.432 403 G N -0.873 107.917 108.800 -0.016 0.000 2.402 403 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 403 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 403 G C 1.583 176.473 174.900 -0.015 0.000 1.162 403 G CA 1.208 46.299 45.100 -0.015 0.000 0.777 403 G HN 0.282 nan 8.290 nan 0.000 0.539 404 T N 1.425 115.969 114.554 -0.016 0.000 2.821 404 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 404 T C 2.430 177.121 174.700 -0.015 0.000 1.046 404 T CA 0.709 62.799 62.100 -0.017 0.000 1.139 404 T CB -0.167 68.689 68.868 -0.019 0.000 0.871 404 T HN 0.142 nan 8.240 nan 0.000 0.454 405 L N 0.740 121.956 121.223 -0.012 0.000 2.046 405 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 405 L C 2.661 179.525 176.870 -0.011 0.000 1.077 405 L CA 0.927 55.761 54.840 -0.010 0.000 0.747 405 L CB -0.751 41.306 42.059 -0.004 0.000 0.896 405 L HN 0.141 nan 8.230 nan 0.000 0.432 406 V N -0.206 119.701 119.914 -0.012 0.000 2.343 406 V HA -0.351 3.769 4.120 -0.000 0.000 0.247 406 V C 3.082 179.166 176.094 -0.016 0.000 1.051 406 V CA 2.358 64.649 62.300 -0.014 0.000 1.036 406 V CB -1.104 30.710 31.823 -0.016 0.000 0.654 406 V HN 0.649 nan 8.190 nan 0.000 0.451 407 Q N -0.506 119.284 119.800 -0.016 0.000 2.119 407 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 407 Q C 2.110 178.100 176.000 -0.018 0.000 0.972 407 Q CA 2.022 57.815 55.803 -0.017 0.000 0.847 407 Q CB -0.832 27.897 28.738 -0.016 0.000 0.903 407 Q HN 0.714 nan 8.270 nan 0.000 0.433 408 L N 0.059 121.270 121.223 -0.018 0.000 2.353 408 L HA -0.079 4.261 4.340 -0.000 0.000 0.220 408 L C 2.494 179.353 176.870 -0.019 0.000 1.133 408 L CA 0.569 55.396 54.840 -0.021 0.000 0.798 408 L CB -0.327 41.717 42.059 -0.024 0.000 0.922 408 L HN 0.375 nan 8.230 nan 0.000 0.445 409 L N -0.357 120.857 121.223 -0.015 0.000 2.265 409 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 409 L C 2.278 179.141 176.870 -0.013 0.000 1.117 409 L CA 1.000 55.833 54.840 -0.012 0.000 0.782 409 L CB -0.667 41.385 42.059 -0.012 0.000 0.914 409 L HN 0.309 nan 8.230 nan 0.000 0.441 410 G N -1.384 107.407 108.800 -0.015 0.000 2.985 410 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.209 410 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.209 410 G C 0.739 175.630 174.900 -0.015 0.000 1.165 410 G CA -0.032 45.059 45.100 -0.014 0.000 0.776 410 G HN 0.227 nan 8.290 nan 0.000 0.541 411 S N -0.056 115.634 115.700 -0.017 0.000 2.573 411 S HA 0.061 4.531 4.470 -0.000 0.000 0.277 411 S C 0.974 175.564 174.600 -0.017 0.000 1.346 411 S CA -0.262 57.926 58.200 -0.020 0.000 1.034 411 S CB 0.734 63.918 63.200 -0.026 0.000 0.879 411 S HN 0.189 nan 8.310 nan 0.000 0.528 412 D N 0.910 121.300 120.400 -0.017 0.000 2.348 412 D HA 0.077 4.717 4.640 -0.000 0.000 0.211 412 D C -0.083 176.209 176.300 -0.013 0.000 0.998 412 D CA 0.422 54.414 54.000 -0.014 0.000 0.873 412 D CB -0.054 40.738 40.800 -0.014 0.000 0.925 412 D HN 0.552 nan 8.370 nan 0.000 0.524 413 D N 1.179 121.567 120.400 -0.020 0.000 2.339 413 D HA -0.004 4.636 4.640 -0.000 0.000 0.241 413 D C 1.516 177.807 176.300 -0.014 0.000 1.183 413 D CA -0.379 53.609 54.000 -0.021 0.000 0.859 413 D CB 0.735 41.512 40.800 -0.039 0.000 1.067 413 D HN -0.176 nan 8.370 nan 0.000 0.484 414 I N 3.712 124.282 120.570 0.000 0.000 2.264 414 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 414 I C 1.843 177.972 176.117 0.021 0.000 1.111 414 I CA 0.846 62.153 61.300 0.012 0.000 1.382 414 I CB -0.752 37.261 38.000 0.022 0.000 1.060 414 I HN 0.496 nan 8.210 nan 0.000 0.418 415 N N 0.519 119.233 118.700 0.023 0.000 2.309 415 N HA -0.093 4.647 4.740 -0.000 0.000 0.182 415 N C 2.012 177.502 175.510 -0.032 0.000 1.018 415 N CA 0.870 53.942 53.050 0.037 0.000 0.876 415 N CB 0.043 38.559 38.487 0.047 0.000 0.972 415 N HN 0.214 nan 8.380 nan 0.000 0.434 416 V N 0.735 120.613 119.914 -0.060 0.000 2.379 416 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 416 V C 2.437 178.510 176.094 -0.035 0.000 1.044 416 V CA 0.930 63.184 62.300 -0.076 0.000 1.036 416 V CB -0.286 31.492 31.823 -0.074 0.000 0.664 416 V HN 0.014 nan 8.190 nan 0.000 0.453 417 V N -0.042 119.862 119.914 -0.016 0.000 2.295 417 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 417 V C 2.585 178.686 176.094 0.011 0.000 1.049 417 V CA 2.649 64.947 62.300 -0.003 0.000 1.024 417 V CB -1.015 30.808 31.823 0.000 0.000 0.648 417 V HN 0.606 nan 8.190 nan 0.000 0.447 418 T N -1.071 113.498 114.554 0.025 0.000 2.708 418 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 418 T C 1.970 176.703 174.700 0.054 0.000 1.037 418 T CA 2.000 64.126 62.100 0.045 0.000 1.146 418 T CB -0.537 68.372 68.868 0.068 0.000 0.865 418 T HN 0.521 nan 8.240 nan 0.000 0.435 419 C N 1.526 120.859 119.300 0.055 0.000 2.429 419 C HA 0.098 4.558 4.460 -0.000 0.000 0.277 419 C C 3.245 178.256 174.990 0.036 0.000 1.262 419 C CA 0.340 59.395 59.018 0.061 0.000 1.733 419 C CB -1.432 26.325 27.740 0.029 0.000 2.010 419 C HN 0.666 nan 8.230 nan 0.000 0.483 420 A N 0.484 123.312 122.820 0.012 0.000 1.902 420 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 420 A C 2.363 179.957 177.584 0.017 0.000 1.181 420 A CA 2.085 54.127 52.037 0.008 0.000 0.623 420 A CB -0.902 18.096 19.000 -0.004 0.000 0.818 420 A HN 0.570 nan 8.150 nan 0.000 0.443 421 A N -0.480 122.351 122.820 0.019 0.000 1.902 421 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 421 A C 2.416 180.018 177.584 0.030 0.000 1.181 421 A CA 1.959 54.008 52.037 0.019 0.000 0.623 421 A CB -1.386 17.624 19.000 0.017 0.000 0.818 421 A HN 0.722 nan 8.150 nan 0.000 0.443 422 G N 0.018 108.843 108.800 0.042 0.000 2.418 422 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 422 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 422 G C 1.521 176.456 174.900 0.058 0.000 1.158 422 G CA 1.127 46.259 45.100 0.054 0.000 0.771 422 G HN 0.483 nan 8.290 nan 0.000 0.545 423 I N 0.351 120.952 120.570 0.053 0.000 2.226 423 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 423 I C 2.703 178.848 176.117 0.046 0.000 1.100 423 I CA 0.640 61.969 61.300 0.048 0.000 1.374 423 I CB -0.234 37.790 38.000 0.039 0.000 1.057 423 I HN 0.109 nan 8.210 nan 0.000 0.413 424 L N -0.129 121.118 121.223 0.040 0.000 2.083 424 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 424 L C 2.777 179.694 176.870 0.078 0.000 1.083 424 L CA 1.495 56.359 54.840 0.041 0.000 0.752 424 L CB -0.557 41.517 42.059 0.025 0.000 0.899 424 L HN 0.290 nan 8.230 nan 0.000 0.433 425 S N 0.153 115.903 115.700 0.083 0.000 2.348 425 S HA -0.180 4.290 4.470 -0.000 0.000 0.221 425 S C 1.856 176.596 174.600 0.234 0.000 1.033 425 S CA 1.637 59.922 58.200 0.142 0.000 1.010 425 S CB -0.191 63.045 63.200 0.061 0.000 0.891 425 S HN 0.432 nan 8.310 nan 0.000 0.442 426 N N 1.610 120.389 118.700 0.132 0.000 2.069 426 N HA -0.017 4.723 4.740 -0.000 0.000 0.191 426 N C 1.739 177.278 175.510 0.048 0.000 1.031 426 N CA 1.352 54.457 53.050 0.091 0.000 0.852 426 N CB -0.719 37.805 38.487 0.062 0.000 1.018 426 N HN 0.431 nan 8.380 nan 0.000 0.423 427 L N 0.640 121.888 121.223 0.042 0.000 2.376 427 L HA -0.041 4.299 4.340 -0.000 0.000 0.219 427 L C 1.856 178.720 176.870 -0.010 0.000 1.133 427 L CA 1.113 55.958 54.840 0.007 0.000 0.816 427 L CB -0.531 41.531 42.059 0.004 0.000 0.933 427 L HN 0.325 nan 8.230 nan 0.000 0.449 428 T N -4.857 109.716 114.554 0.032 0.000 3.044 428 T HA 0.008 4.358 4.350 -0.000 0.000 0.250 428 T C 0.880 175.500 174.700 -0.134 0.000 1.081 428 T CA -0.375 61.731 62.100 0.010 0.000 1.040 428 T CB -0.539 68.396 68.868 0.112 0.000 0.962 428 T HN 0.220 nan 8.240 nan 0.000 0.506 429 C N 3.712 122.833 119.300 -0.299 0.000 2.638 429 C HA 0.179 4.639 4.460 -0.000 0.000 0.410 429 C C 1.029 175.850 174.990 -0.281 0.000 1.404 429 C CA -0.309 58.318 59.018 -0.651 0.000 1.651 429 C CB -1.878 25.589 27.740 -0.455 0.000 2.495 429 C HN 0.724 nan 8.230 nan 0.000 0.606 430 N N 3.311 121.877 118.700 -0.222 0.000 2.701 430 N HA -0.223 4.517 4.740 -0.000 0.000 0.252 430 N C -0.562 174.925 175.510 -0.039 0.000 1.002 430 N CA 1.205 54.212 53.050 -0.071 0.000 0.758 430 N CB -1.066 37.392 38.487 -0.048 0.000 0.937 430 N HN 0.879 nan 8.380 nan 0.000 0.538 431 N N 0.357 119.020 118.700 -0.061 0.000 2.716 431 N HA 0.054 4.794 4.740 -0.000 0.000 0.253 431 N C 0.960 176.397 175.510 -0.121 0.000 1.170 431 N CA -0.517 52.468 53.050 -0.108 0.000 0.807 431 N CB 0.281 38.694 38.487 -0.123 0.000 1.183 431 N HN 0.227 nan 8.380 nan 0.000 0.524 432 Y N 2.533 122.820 120.300 -0.021 0.000 2.256 432 Y HA 0.001 4.551 4.550 -0.000 0.000 0.288 432 Y C 1.543 177.417 175.900 -0.043 0.000 1.155 432 Y CA 1.245 59.339 58.100 -0.010 0.000 1.203 432 Y CB -0.102 38.391 38.460 0.055 0.000 0.980 432 Y HN 0.193 nan 8.280 nan 0.000 0.530 433 K N 0.353 120.319 120.400 -0.723 0.000 2.057 433 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 433 K C 1.690 178.172 176.600 -0.196 0.000 1.050 433 K CA 1.395 57.442 56.287 -0.401 0.000 0.935 433 K CB -0.224 32.004 32.500 -0.454 0.000 0.715 433 K HN 0.355 nan 8.250 nan 0.000 0.439 434 N N 1.293 119.876 118.700 -0.194 0.000 2.188 434 N HA -0.073 4.667 4.740 -0.000 0.000 0.184 434 N C 0.457 175.893 175.510 -0.125 0.000 1.018 434 N CA 0.927 53.902 53.050 -0.124 0.000 0.858 434 N CB -0.017 38.410 38.487 -0.099 0.000 0.989 434 N HN 0.187 nan 8.380 nan 0.000 0.426 439 C N 0.794 120.089 119.300 -0.009 0.000 2.446 439 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 439 C C 2.707 177.720 174.990 0.039 0.000 1.275 439 C CA 1.792 60.832 59.018 0.036 0.000 1.727 439 C CB -0.858 26.942 27.740 0.101 0.000 2.010 439 C HN 0.637 nan 8.230 nan 0.000 0.486 440 Q N 0.628 120.447 119.800 0.032 0.000 2.226 440 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 440 Q C 1.777 177.789 176.000 0.019 0.000 0.975 440 Q CA 1.654 57.476 55.803 0.031 0.000 0.866 440 Q CB -0.268 28.487 28.738 0.028 0.000 0.915 440 Q HN 0.759 nan 8.270 nan 0.000 0.440 441 V N -3.196 116.722 119.914 0.007 0.000 3.331 441 V HA 0.476 4.596 4.120 -0.000 0.000 0.332 441 V C 0.819 176.909 176.094 -0.006 0.000 1.341 441 V CA 0.344 62.644 62.300 0.000 0.000 1.218 441 V CB -0.393 31.426 31.823 -0.006 0.000 1.152 441 V HN 0.357 nan 8.190 nan 0.000 0.445 442 G N -0.065 108.733 108.800 -0.004 0.000 2.160 442 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 442 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 442 G C 0.907 175.781 174.900 -0.043 0.000 1.022 442 G CA 0.274 45.358 45.100 -0.027 0.000 0.741 442 G HN 1.177 nan 8.290 nan 0.000 0.508 443 G N -0.005 108.783 108.800 -0.021 0.000 2.432 443 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 443 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 443 G C 1.714 176.600 174.900 -0.023 0.000 1.135 443 G CA 1.349 46.437 45.100 -0.019 0.000 0.767 443 G HN 0.496 nan 8.290 nan 0.000 0.550 444 I N 0.860 121.420 120.570 -0.017 0.000 2.163 444 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 444 I C 2.510 178.579 176.117 -0.079 0.000 1.081 444 I CA 1.357 62.654 61.300 -0.004 0.000 1.353 444 I CB -1.056 36.978 38.000 0.057 0.000 1.054 444 I HN 0.363 nan 8.210 nan 0.000 0.407 445 E N 1.170 121.222 120.200 -0.247 0.000 2.051 445 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 445 E C 2.305 178.798 176.600 -0.178 0.000 0.991 445 E CA 1.555 57.686 56.400 -0.448 0.000 0.799 445 E CB 0.051 29.295 29.700 -0.760 0.000 0.748 445 E HN 0.404 nan 8.360 nan 0.000 0.449 446 A N 1.185 123.933 122.820 -0.120 0.000 1.892 446 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 446 A C 2.252 179.815 177.584 -0.034 0.000 1.188 446 A CA 1.493 53.493 52.037 -0.061 0.000 0.631 446 A CB -0.814 18.159 19.000 -0.045 0.000 0.822 446 A HN 0.341 nan 8.150 nan 0.000 0.447 447 L N -0.671 120.536 121.223 -0.027 0.000 2.083 447 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 447 L C 2.537 179.410 176.870 0.005 0.000 1.083 447 L CA 0.990 55.826 54.840 -0.007 0.000 0.752 447 L CB -0.465 41.593 42.059 -0.002 0.000 0.899 447 L HN 0.266 nan 8.230 nan 0.000 0.433 448 V N -0.213 119.707 119.914 0.010 0.000 2.358 448 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 448 V C 2.648 178.765 176.094 0.039 0.000 1.047 448 V CA 1.815 64.140 62.300 0.042 0.000 1.035 448 V CB -0.653 31.221 31.823 0.085 0.000 0.658 448 V HN 0.462 nan 8.190 nan 0.000 0.452 449 R N -0.113 120.398 120.500 0.020 0.000 2.105 449 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 449 R C 2.276 178.582 176.300 0.010 0.000 1.135 449 R CA 2.135 58.245 56.100 0.015 0.000 0.967 449 R CB -0.445 29.854 30.300 -0.002 0.000 0.861 449 R HN 0.533 nan 8.270 nan 0.000 0.442 450 T N 0.289 114.846 114.554 0.005 0.000 2.746 450 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 450 T C 1.805 176.512 174.700 0.012 0.000 1.039 450 T CA 1.385 63.488 62.100 0.006 0.000 1.142 450 T CB -0.073 68.796 68.868 0.003 0.000 0.866 450 T HN 0.047 nan 8.240 nan 0.000 0.444 451 V N 1.433 121.358 119.914 0.018 0.000 2.358 451 V HA -0.087 4.033 4.120 -0.000 0.000 0.246 451 V C 2.483 178.592 176.094 0.024 0.000 1.047 451 V CA 1.340 63.653 62.300 0.023 0.000 1.035 451 V CB -0.667 31.174 31.823 0.030 0.000 0.658 451 V HN 0.423 nan 8.190 nan 0.000 0.452 452 L N -0.385 120.855 121.223 0.028 0.000 2.012 452 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 452 L C 2.754 179.632 176.870 0.013 0.000 1.073 452 L CA 1.856 56.710 54.840 0.024 0.000 0.748 452 L CB -0.546 41.529 42.059 0.026 0.000 0.891 452 L HN 0.250 nan 8.230 nan 0.000 0.431 453 R N -0.451 120.054 120.500 0.009 0.000 2.189 453 R HA -0.009 4.331 4.340 -0.000 0.000 0.218 453 R C 2.315 178.619 176.300 0.007 0.000 1.074 453 R CA 0.852 56.955 56.100 0.004 0.000 0.991 453 R CB -0.319 29.981 30.300 0.001 0.000 0.883 453 R HN 0.319 nan 8.270 nan 0.000 0.457 454 A N 1.106 123.932 122.820 0.010 0.000 2.015 454 A HA 0.092 4.412 4.320 -0.000 0.000 0.219 454 A C 1.522 179.114 177.584 0.013 0.000 1.163 454 A CA 1.275 53.319 52.037 0.012 0.000 0.646 454 A CB -0.635 18.374 19.000 0.015 0.000 0.806 454 A HN 0.459 nan 8.150 nan 0.000 0.448 455 G N 0.555 109.363 108.800 0.014 0.000 2.591 455 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.298 455 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.298 455 G C 0.340 175.251 174.900 0.019 0.000 1.195 455 G CA 0.931 46.039 45.100 0.014 0.000 0.989 455 G HN 1.014 nan 8.290 nan 0.000 0.551 456 D N 0.873 121.284 120.400 0.019 0.000 2.358 456 D HA 0.181 4.821 4.640 -0.000 0.000 0.224 456 D C 1.055 177.370 176.300 0.024 0.000 1.123 456 D CA -0.096 53.919 54.000 0.026 0.000 0.833 456 D CB -0.180 40.637 40.800 0.029 0.000 0.946 456 D HN 0.568 nan 8.370 nan 0.000 0.505 457 R N 1.133 121.643 120.500 0.017 0.000 2.351 457 R HA 0.162 4.501 4.340 -0.000 0.000 0.321 457 R C 0.554 176.861 176.300 0.010 0.000 1.182 457 R CA -0.008 56.099 56.100 0.011 0.000 1.011 457 R CB 0.362 30.669 30.300 0.012 0.000 1.048 457 R HN 0.243 nan 8.270 nan 0.000 0.490 458 E N 1.515 121.716 120.200 0.002 0.000 2.338 458 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 458 E C 0.941 177.542 176.600 0.001 0.000 1.007 458 E CA 0.954 57.355 56.400 0.002 0.000 0.849 458 E CB 0.192 29.884 29.700 -0.013 0.000 0.774 458 E HN 0.632 nan 8.360 nan 0.000 0.506 459 D N 0.616 121.015 120.400 -0.001 0.000 2.310 459 D HA -0.152 4.488 4.640 -0.000 0.000 0.212 459 D C 1.741 178.054 176.300 0.022 0.000 0.965 459 D CA 0.814 54.821 54.000 0.011 0.000 0.879 459 D CB -0.029 40.781 40.800 0.017 0.000 0.921 459 D HN 0.316 nan 8.370 nan 0.000 0.510 460 I N 0.911 121.492 120.570 0.019 0.000 2.947 460 I HA -0.128 4.041 4.170 -0.000 0.000 0.263 460 I C 2.647 178.774 176.117 0.017 0.000 1.130 460 I CA 1.077 62.389 61.300 0.020 0.000 1.448 460 I CB -0.289 37.721 38.000 0.018 0.000 1.222 460 I HN 0.015 nan 8.210 nan 0.000 0.453 461 T N -1.233 113.331 114.554 0.018 0.000 2.746 461 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 461 T C 1.800 176.510 174.700 0.017 0.000 1.039 461 T CA 1.203 63.314 62.100 0.019 0.000 1.142 461 T CB -0.351 68.531 68.868 0.024 0.000 0.866 461 T HN 0.211 nan 8.240 nan 0.000 0.444 462 E N 2.385 122.598 120.200 0.021 0.000 2.033 462 E HA -0.111 4.239 4.350 -0.000 0.000 0.199 462 E C -0.132 176.474 176.600 0.009 0.000 1.011 462 E CA 1.981 58.395 56.400 0.023 0.000 0.815 462 E CB -1.138 28.580 29.700 0.031 0.000 0.755 462 E HN 0.444 nan 8.360 nan 0.000 0.451 463 P HA -0.057 nan 4.420 nan 0.000 0.219 463 P C 1.214 178.503 177.300 -0.018 0.000 1.150 463 P CA 1.742 64.843 63.100 0.003 0.000 0.814 463 P CB -0.095 31.619 31.700 0.022 0.000 0.787 464 A N 0.427 123.243 122.820 -0.008 0.000 1.898 464 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 464 A C 2.284 179.852 177.584 -0.028 0.000 1.181 464 A CA 1.232 53.262 52.037 -0.012 0.000 0.620 464 A CB -1.288 17.713 19.000 0.002 0.000 0.819 464 A HN 0.025 nan 8.150 nan 0.000 0.442 465 I N -0.086 120.470 120.570 -0.023 0.000 2.252 465 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 465 I C 2.549 178.616 176.117 -0.084 0.000 1.102 465 I CA 1.006 62.290 61.300 -0.026 0.000 1.385 465 I CB -1.602 36.398 38.000 -0.000 0.000 1.064 465 I HN 0.364 nan 8.210 nan 0.000 0.414 466 C N 0.835 120.060 119.300 -0.125 0.000 2.425 466 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 466 C C 3.147 177.793 174.990 -0.573 0.000 1.280 466 C CA 0.823 59.663 59.018 -0.296 0.000 1.744 466 C CB -1.220 26.388 27.740 -0.221 0.000 1.989 466 C HN 0.586 nan 8.230 nan 0.000 0.491 467 A N 0.478 123.117 122.820 -0.302 0.000 1.877 467 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 467 A C 2.111 179.628 177.584 -0.113 0.000 1.186 467 A CA 1.434 53.356 52.037 -0.191 0.000 0.620 467 A CB -0.672 18.300 19.000 -0.047 0.000 0.822 467 A HN 0.593 nan 8.150 nan 0.000 0.443 468 L N -0.967 120.213 121.223 -0.070 0.000 2.079 468 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 468 L C 2.815 179.690 176.870 0.008 0.000 1.081 468 L CA 1.783 56.619 54.840 -0.007 0.000 0.752 468 L CB -0.457 41.606 42.059 0.007 0.000 0.896 468 L HN 0.489 nan 8.230 nan 0.000 0.433 469 R N -0.428 120.041 120.500 -0.052 0.000 2.081 469 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 469 R C 2.228 178.601 176.300 0.122 0.000 1.131 469 R CA 1.707 57.812 56.100 0.009 0.000 0.960 469 R CB -0.291 29.991 30.300 -0.031 0.000 0.856 469 R HN 0.506 nan 8.270 nan 0.000 0.436 470 H N -0.130 118.978 119.070 0.063 0.000 2.357 470 H HA -0.074 4.482 4.556 -0.000 0.000 0.301 470 H C 2.019 177.399 175.328 0.087 0.000 1.082 470 H CA 1.284 57.371 56.048 0.065 0.000 1.342 470 H CB 0.040 29.825 29.762 0.039 0.000 1.389 470 H HN 0.190 nan 8.280 nan 0.000 0.511 471 L N 0.717 122.058 121.223 0.197 0.000 2.478 471 L HA -0.041 4.299 4.340 -0.000 0.000 0.223 471 L C 1.578 178.615 176.870 0.278 0.000 1.140 471 L CA 0.937 55.884 54.840 0.177 0.000 0.842 471 L CB -0.120 42.004 42.059 0.108 0.000 0.953 471 L HN 0.368 nan 8.230 nan 0.000 0.452 472 T N -3.928 110.743 114.554 0.196 0.000 3.223 472 T HA 0.229 4.579 4.350 -0.000 0.000 0.259 472 T C 0.382 175.155 174.700 0.122 0.000 1.015 472 T CA -0.155 62.032 62.100 0.145 0.000 0.908 472 T CB -0.116 68.809 68.868 0.096 0.000 1.054 472 T HN 0.222 nan 8.240 nan 0.000 0.567 473 S N 0.563 116.373 115.700 0.183 0.000 2.537 473 S HA 0.586 5.056 4.470 -0.000 0.000 0.270 473 S C -0.461 174.252 174.600 0.189 0.000 1.142 473 S CA -1.260 57.022 58.200 0.137 0.000 0.870 473 S CB 1.500 64.775 63.200 0.126 0.000 1.112 473 S HN 0.340 nan 8.310 nan 0.000 0.466 474 R N 0.983 121.539 120.500 0.093 0.000 3.188 474 R HA -0.222 4.117 4.340 -0.000 0.000 0.247 474 R C -0.489 175.923 176.300 0.187 0.000 0.918 474 R CA 1.591 57.748 56.100 0.095 0.000 0.629 474 R CB -2.666 27.689 30.300 0.093 0.000 1.087 474 R HN 1.080 nan 8.270 nan 0.000 0.462 475 H N -4.594 114.501 119.070 0.040 0.000 3.003 475 H HA 0.166 4.722 4.556 -0.000 0.000 0.327 475 H C 0.434 175.776 175.328 0.023 0.000 1.353 475 H CA -0.647 55.434 56.048 0.054 0.000 1.142 475 H CB 0.873 30.718 29.762 0.139 0.000 1.864 475 H HN -0.025 nan 8.280 nan 0.000 0.529 476 Q N -0.395 119.430 119.800 0.042 0.000 2.173 476 Q HA -0.159 4.181 4.340 -0.000 0.000 0.208 476 Q C 0.255 176.186 176.000 -0.116 0.000 0.989 476 Q CA 1.981 57.767 55.803 -0.029 0.000 0.872 476 Q CB 0.142 28.910 28.738 0.050 0.000 0.909 476 Q HN 0.642 nan 8.270 nan 0.000 0.420 477 E N -1.000 119.109 120.200 -0.152 0.000 2.423 477 E HA 0.141 4.491 4.350 -0.000 0.000 0.198 477 E C 0.735 177.105 176.600 -0.384 0.000 1.038 477 E CA 0.362 56.683 56.400 -0.132 0.000 1.011 477 E CB 0.676 30.465 29.700 0.148 0.000 1.118 477 E HN 0.389 nan 8.360 nan 0.000 0.451 478 A N 1.032 123.381 122.820 -0.784 0.000 1.902 478 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 478 A C 1.502 178.993 177.584 -0.156 0.000 1.181 478 A CA 0.864 52.604 52.037 -0.494 0.000 0.623 478 A CB -0.157 18.616 19.000 -0.379 0.000 0.818 478 A HN 0.330 nan 8.150 nan 0.000 0.443 482 Q N 0.799 120.622 119.800 0.038 0.000 2.096 482 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 482 Q C 1.697 177.706 176.000 0.014 0.000 0.982 482 Q CA 1.830 57.649 55.803 0.027 0.000 0.850 482 Q CB -0.133 28.608 28.738 0.006 0.000 0.901 482 Q HN 0.695 nan 8.270 nan 0.000 0.422 483 N N 0.108 118.807 118.700 -0.001 0.000 2.171 483 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 483 N C 1.704 177.203 175.510 -0.018 0.000 1.021 483 N CA 1.167 54.203 53.050 -0.024 0.000 0.854 483 N CB -0.154 38.311 38.487 -0.036 0.000 0.994 483 N HN 0.209 nan 8.380 nan 0.000 0.426 484 A N 1.067 123.906 122.820 0.031 0.000 1.978 484 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 484 A C 2.512 180.189 177.584 0.156 0.000 1.170 484 A CA 1.175 53.274 52.037 0.103 0.000 0.636 484 A CB -0.721 18.393 19.000 0.191 0.000 0.810 484 A HN 0.105 nan 8.150 nan 0.000 0.448 485 V N -0.152 119.825 119.914 0.104 0.000 2.343 485 V HA -0.263 3.856 4.120 -0.000 0.000 0.247 485 V C 2.638 178.765 176.094 0.054 0.000 1.051 485 V CA 2.344 64.704 62.300 0.101 0.000 1.036 485 V CB -0.775 31.092 31.823 0.072 0.000 0.654 485 V HN 0.684 nan 8.190 nan 0.000 0.451 486 R N -0.125 120.371 120.500 -0.007 0.000 2.062 486 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 486 R C 2.330 178.520 176.300 -0.184 0.000 1.136 486 R CA 1.519 57.579 56.100 -0.066 0.000 0.948 486 R CB -0.315 29.943 30.300 -0.071 0.000 0.845 486 R HN 0.429 nan 8.270 nan 0.000 0.430 487 L N -0.181 120.899 121.223 -0.239 0.000 2.187 487 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 487 L C 1.071 177.568 176.870 -0.623 0.000 1.100 487 L CA 1.366 55.942 54.840 -0.439 0.000 0.765 487 L CB -0.345 41.455 42.059 -0.431 0.000 0.904 487 L HN 0.375 nan 8.230 nan 0.000 0.437 488 H N -2.130 116.873 119.070 -0.112 0.000 2.524 488 H HA 0.126 4.682 4.556 -0.000 0.000 0.299 488 H C -0.635 174.850 175.328 0.261 0.000 1.074 488 H CA -0.360 55.735 56.048 0.078 0.000 1.115 488 H CB -0.127 29.698 29.762 0.106 0.000 1.522 488 H HN 0.105 nan 8.280 nan 0.000 0.543 489 Y N -1.639 118.692 120.300 0.053 0.000 3.589 489 Y HA -0.264 4.286 4.550 -0.000 0.000 0.218 489 Y C 1.767 177.698 175.900 0.052 0.000 1.234 489 Y CA 0.483 58.608 58.100 0.042 0.000 1.576 489 Y CB -1.758 36.726 38.460 0.039 0.000 1.487 489 Y HN 0.525 nan 8.280 nan 0.000 0.616 490 G N -0.636 108.252 108.800 0.148 0.000 2.744 490 G HA2 0.062 4.022 3.960 -0.000 0.000 0.211 490 G HA3 0.062 4.022 3.960 -0.000 0.000 0.211 490 G C 1.409 176.360 174.900 0.085 0.000 1.146 490 G CA 0.489 45.660 45.100 0.118 0.000 0.787 490 G HN 0.438 nan 8.290 nan 0.000 0.534 491 L N 0.724 121.987 121.223 0.067 0.000 2.042 491 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 491 L C 0.026 176.934 176.870 0.064 0.000 1.076 491 L CA 1.367 56.242 54.840 0.058 0.000 0.749 491 L CB -1.384 40.700 42.059 0.042 0.000 0.893 491 L HN 0.156 nan 8.230 nan 0.000 0.432 492 P HA -0.154 nan 4.420 nan 0.000 0.216 492 P C 1.981 179.318 177.300 0.061 0.000 1.153 492 P CA 1.075 64.212 63.100 0.062 0.000 0.848 492 P CB 0.079 31.816 31.700 0.063 0.000 0.787 493 V N -0.537 119.415 119.914 0.065 0.000 2.548 493 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 493 V C 2.107 178.238 176.094 0.063 0.000 1.055 493 V CA 1.547 63.882 62.300 0.058 0.000 1.065 493 V CB -0.799 31.057 31.823 0.056 0.000 0.681 493 V HN -0.110 nan 8.190 nan 0.000 0.462 494 V N -0.292 119.661 119.914 0.065 0.000 2.295 494 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 494 V C 2.478 178.615 176.094 0.072 0.000 1.049 494 V CA 2.200 64.537 62.300 0.062 0.000 1.024 494 V CB -0.371 31.488 31.823 0.059 0.000 0.648 494 V HN 0.446 nan 8.190 nan 0.000 0.447 495 V N 0.070 120.033 119.914 0.081 0.000 2.358 495 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 495 V C 2.419 178.615 176.094 0.169 0.000 1.047 495 V CA 2.319 64.683 62.300 0.107 0.000 1.035 495 V CB -0.710 31.178 31.823 0.109 0.000 0.658 495 V HN 0.592 nan 8.190 nan 0.000 0.452 496 K N 0.180 120.663 120.400 0.139 0.000 2.103 496 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 496 K C 1.979 178.688 176.600 0.182 0.000 1.048 496 K CA 1.537 57.918 56.287 0.158 0.000 0.930 496 K CB -0.261 32.273 32.500 0.056 0.000 0.716 496 K HN 0.430 nan 8.250 nan 0.000 0.444 497 L N 1.105 122.393 121.223 0.108 0.000 2.450 497 L HA -0.129 4.211 4.340 -0.000 0.000 0.224 497 L C 1.894 178.788 176.870 0.041 0.000 1.149 497 L CA 0.472 55.354 54.840 0.070 0.000 0.816 497 L CB -0.248 41.842 42.059 0.051 0.000 0.932 497 L HN 0.256 nan 8.230 nan 0.000 0.449 498 L N -1.577 119.666 121.223 0.034 0.000 2.478 498 L HA -0.023 4.317 4.340 -0.000 0.000 0.223 498 L C 0.993 177.723 176.870 -0.234 0.000 1.140 498 L CA 0.192 54.973 54.840 -0.099 0.000 0.842 498 L CB -0.444 41.524 42.059 -0.151 0.000 0.953 498 L HN 0.316 nan 8.230 nan 0.000 0.452 499 H N -0.621 118.419 119.070 -0.050 0.000 2.525 499 H HA 0.308 4.864 4.556 -0.000 0.000 0.340 499 H C -2.049 173.220 175.328 -0.098 0.000 1.168 499 H CA -2.068 53.938 56.048 -0.069 0.000 1.247 499 H CB 0.933 30.671 29.762 -0.041 0.000 1.568 499 H HN -0.228 nan 8.280 nan 0.000 0.536 500 P HA -0.042 nan 4.420 nan 0.000 0.269 500 P C -1.633 175.658 177.300 -0.015 0.000 1.217 500 P CA -0.695 62.362 63.100 -0.071 0.000 0.783 500 P CB 0.276 31.931 31.700 -0.075 0.000 0.898 501 P HA 0.032 nan 4.420 nan 0.000 0.253 501 P C -0.442 176.796 177.300 -0.103 0.000 1.281 501 P CA 0.309 63.365 63.100 -0.074 0.000 0.792 501 P CB 0.163 31.859 31.700 -0.007 0.000 1.193 502 S N 0.856 116.513 115.700 -0.072 0.000 2.563 502 S HA 0.001 4.471 4.470 -0.000 0.000 0.294 502 S C 0.344 174.823 174.600 -0.201 0.000 1.279 502 S CA 0.252 58.426 58.200 -0.043 0.000 1.069 502 S CB -0.215 62.954 63.200 -0.052 0.000 0.828 502 S HN 0.336 nan 8.310 nan 0.000 0.497 503 H N 0.520 119.499 119.070 -0.151 0.000 2.509 503 H HA 0.239 4.795 4.556 -0.000 0.000 0.359 503 H C 0.611 175.845 175.328 -0.157 0.000 1.253 503 H CA -0.811 55.124 56.048 -0.189 0.000 1.373 503 H CB 0.255 29.987 29.762 -0.050 0.000 1.555 503 H HN 0.776 nan 8.280 nan 0.000 0.586 504 W N 0.562 121.933 121.300 0.117 0.000 2.321 504 W HA -0.120 4.540 4.660 -0.000 0.000 0.306 504 W C -0.691 175.869 176.519 0.068 0.000 1.217 504 W CA 0.927 58.314 57.345 0.070 0.000 1.257 504 W CB -1.472 28.021 29.460 0.054 0.000 1.145 504 W HN 0.614 nan 8.180 nan 0.000 0.509 505 P HA -0.222 nan 4.420 nan 0.000 0.215 505 P C 1.717 179.107 177.300 0.149 0.000 1.153 505 P CA 1.372 64.587 63.100 0.191 0.000 0.853 505 P CB -0.268 31.515 31.700 0.138 0.000 0.788 506 L N -0.799 120.501 121.223 0.127 0.000 2.056 506 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 506 L C 2.146 179.067 176.870 0.085 0.000 1.078 506 L CA 1.731 56.623 54.840 0.086 0.000 0.749 506 L CB -1.145 40.956 42.059 0.069 0.000 0.901 506 L HN -0.119 nan 8.230 nan 0.000 0.433 507 I N -0.451 120.177 120.570 0.097 0.000 2.226 507 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 507 I C 2.562 178.770 176.117 0.152 0.000 1.100 507 I CA 1.518 62.875 61.300 0.096 0.000 1.374 507 I CB -0.446 37.590 38.000 0.060 0.000 1.057 507 I HN 0.337 nan 8.210 nan 0.000 0.413 508 K N 1.589 122.111 120.400 0.204 0.000 2.032 508 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 508 K C 2.211 178.877 176.600 0.110 0.000 1.048 508 K CA 1.735 58.120 56.287 0.164 0.000 0.927 508 K CB -0.148 32.449 32.500 0.160 0.000 0.712 508 K HN 0.280 nan 8.250 nan 0.000 0.441 509 A N 0.621 123.497 122.820 0.093 0.000 1.902 509 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 509 A C 2.204 179.820 177.584 0.052 0.000 1.181 509 A CA 2.175 54.248 52.037 0.060 0.000 0.623 509 A CB -1.046 17.977 19.000 0.038 0.000 0.818 509 A HN 0.484 nan 8.150 nan 0.000 0.443 510 T N -0.253 114.335 114.554 0.057 0.000 2.746 510 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 510 T C 1.882 176.616 174.700 0.056 0.000 1.039 510 T CA 1.554 63.684 62.100 0.051 0.000 1.142 510 T CB -0.474 68.422 68.868 0.048 0.000 0.866 510 T HN 0.150 nan 8.240 nan 0.000 0.444 511 V N 1.529 121.484 119.914 0.068 0.000 2.287 511 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 511 V C 2.887 179.020 176.094 0.066 0.000 1.053 511 V CA 2.050 64.392 62.300 0.070 0.000 1.027 511 V CB -1.410 30.465 31.823 0.087 0.000 0.646 511 V HN 0.610 nan 8.190 nan 0.000 0.447 512 G N -0.246 108.595 108.800 0.068 0.000 2.440 512 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 512 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 512 G C 1.577 176.514 174.900 0.061 0.000 1.154 512 G CA 1.222 46.363 45.100 0.067 0.000 0.767 512 G HN 0.448 nan 8.290 nan 0.000 0.552 513 L N 0.783 122.037 121.223 0.052 0.000 2.056 513 L HA 0.103 4.443 4.340 -0.000 0.000 0.207 513 L C 2.669 179.570 176.870 0.053 0.000 1.078 513 L CA 1.294 56.163 54.840 0.048 0.000 0.749 513 L CB -0.446 41.635 42.059 0.037 0.000 0.901 513 L HN 0.273 nan 8.230 nan 0.000 0.433 514 I N -0.607 119.996 120.570 0.053 0.000 2.208 514 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 514 I C 2.684 178.833 176.117 0.053 0.000 1.097 514 I CA 1.077 62.410 61.300 0.054 0.000 1.363 514 I CB -0.540 37.493 38.000 0.054 0.000 1.051 514 I HN 0.353 nan 8.210 nan 0.000 0.413 515 R N 1.603 122.134 120.500 0.050 0.000 2.096 515 R HA -0.210 4.130 4.340 -0.000 0.000 0.240 515 R C 1.798 178.123 176.300 0.042 0.000 1.139 515 R CA 2.052 58.177 56.100 0.042 0.000 0.952 515 R CB -0.711 29.618 30.300 0.048 0.000 0.854 515 R HN 0.380 nan 8.270 nan 0.000 0.436 516 N N 0.788 119.519 118.700 0.051 0.000 2.171 516 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 516 N C 1.966 177.507 175.510 0.050 0.000 1.021 516 N CA 1.056 54.138 53.050 0.052 0.000 0.854 516 N CB -0.376 38.150 38.487 0.065 0.000 0.994 516 N HN 0.226 nan 8.380 nan 0.000 0.426 517 L N 0.552 121.808 121.223 0.055 0.000 2.079 517 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 517 L C 2.158 179.072 176.870 0.074 0.000 1.081 517 L CA 1.125 55.998 54.840 0.055 0.000 0.752 517 L CB -0.517 41.576 42.059 0.056 0.000 0.896 517 L HN 0.123 nan 8.230 nan 0.000 0.433 518 A N -0.193 122.682 122.820 0.091 0.000 2.172 518 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 518 A C 2.184 179.892 177.584 0.207 0.000 1.154 518 A CA 0.897 53.031 52.037 0.161 0.000 0.701 518 A CB -0.563 18.479 19.000 0.071 0.000 0.789 518 A HN 0.397 nan 8.150 nan 0.000 0.465 519 L N -1.083 120.200 121.223 0.100 0.000 2.275 519 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 519 L C 1.288 178.181 176.870 0.039 0.000 1.119 519 L CA 0.092 54.976 54.840 0.073 0.000 0.790 519 L CB -0.426 41.648 42.059 0.025 0.000 0.919 519 L HN 0.515 nan 8.230 nan 0.000 0.443 520 C N 1.086 120.384 119.300 -0.004 0.000 2.281 520 C HA 0.267 4.727 4.460 -0.000 0.000 0.336 520 C C -0.659 174.138 174.990 -0.321 0.000 1.217 520 C CA -1.833 57.123 59.018 -0.103 0.000 1.730 520 C CB 0.515 28.217 27.740 -0.064 0.000 2.338 520 C HN 0.114 nan 8.230 nan 0.000 0.521 521 P HA -0.133 nan 4.420 nan 0.000 0.216 521 P C 1.346 178.334 177.300 -0.520 0.000 1.150 521 P CA 2.139 64.756 63.100 -0.805 0.000 0.843 521 P CB 0.104 31.596 31.700 -0.347 0.000 0.787 522 A N -1.078 121.588 122.820 -0.257 0.000 2.216 522 A HA -0.123 4.196 4.320 -0.000 0.000 0.214 522 A C 1.754 179.280 177.584 -0.096 0.000 1.160 522 A CA 1.292 53.244 52.037 -0.141 0.000 0.725 522 A CB -0.950 17.991 19.000 -0.099 0.000 0.784 522 A HN 0.152 nan 8.150 nan 0.000 0.472 523 N N -1.072 117.566 118.700 -0.102 0.000 2.254 523 N HA 0.059 4.798 4.740 -0.000 0.000 0.190 523 N C 1.038 176.616 175.510 0.112 0.000 1.107 523 N CA 0.275 53.329 53.050 0.006 0.000 0.869 523 N CB -0.341 38.165 38.487 0.032 0.000 0.983 523 N HN 0.732 nan 8.380 nan 0.000 0.487 524 H N 0.681 119.758 119.070 0.012 0.000 2.290 524 H HA -0.051 4.505 4.556 -0.000 0.000 0.298 524 H C 1.921 177.268 175.328 0.031 0.000 1.087 524 H CA 1.426 57.487 56.048 0.022 0.000 1.291 524 H CB 0.324 30.102 29.762 0.027 0.000 1.369 524 H HN 0.212 nan 8.280 nan 0.000 0.492 525 A N 1.433 124.349 122.820 0.161 0.000 1.855 525 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 525 A C -0.100 177.520 177.584 0.060 0.000 1.191 525 A CA 1.234 53.327 52.037 0.092 0.000 0.613 525 A CB -1.273 17.760 19.000 0.055 0.000 0.829 525 A HN 0.345 nan 8.150 nan 0.000 0.442 526 P HA -0.156 nan 4.420 nan 0.000 0.216 526 P C 1.590 178.918 177.300 0.047 0.000 1.150 526 P CA 1.016 64.136 63.100 0.033 0.000 0.837 526 P CB -0.209 31.500 31.700 0.015 0.000 0.786 527 L N -0.587 120.674 121.223 0.064 0.000 2.083 527 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 527 L C 3.190 180.097 176.870 0.061 0.000 1.083 527 L CA 1.405 56.284 54.840 0.066 0.000 0.752 527 L CB -0.678 41.427 42.059 0.077 0.000 0.899 527 L HN -0.068 nan 8.230 nan 0.000 0.433 528 R N 0.567 121.104 120.500 0.063 0.000 2.066 528 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 528 R C 2.086 178.413 176.300 0.044 0.000 1.131 528 R CA 1.724 57.857 56.100 0.055 0.000 0.955 528 R CB -0.098 30.239 30.300 0.061 0.000 0.851 528 R HN 0.400 nan 8.270 nan 0.000 0.432 529 E N 0.053 120.275 120.200 0.037 0.000 2.110 529 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 529 E C 1.909 178.528 176.600 0.031 0.000 0.988 529 E CA 0.753 57.168 56.400 0.026 0.000 0.804 529 E CB 0.047 29.757 29.700 0.017 0.000 0.745 529 E HN 0.332 nan 8.360 nan 0.000 0.458 530 Q N -0.412 119.411 119.800 0.040 0.000 2.515 530 Q HA 0.010 4.350 4.340 -0.000 0.000 0.212 530 Q C 1.061 177.096 176.000 0.058 0.000 0.970 530 Q CA 0.903 56.733 55.803 0.045 0.000 0.941 530 Q CB 0.660 29.428 28.738 0.050 0.000 0.998 530 Q HN 0.460 nan 8.270 nan 0.000 0.518 531 G N 0.021 108.857 108.800 0.059 0.000 2.137 531 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.237 531 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.237 531 G C 0.938 175.892 174.900 0.091 0.000 1.002 531 G CA 0.581 45.725 45.100 0.074 0.000 0.702 531 G HN 0.472 nan 8.290 nan 0.000 0.515 532 A N -0.233 122.633 122.820 0.076 0.000 1.902 532 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 532 A C 2.390 180.008 177.584 0.056 0.000 1.181 532 A CA 1.835 53.913 52.037 0.068 0.000 0.623 532 A CB -0.282 18.755 19.000 0.062 0.000 0.818 532 A HN 0.789 nan 8.150 nan 0.000 0.443 533 I N 0.496 121.099 120.570 0.055 0.000 2.113 533 I HA -0.167 4.003 4.170 -0.000 0.000 0.238 533 I C -0.237 175.909 176.117 0.047 0.000 1.070 533 I CA 1.662 62.993 61.300 0.052 0.000 1.332 533 I CB -1.296 36.734 38.000 0.051 0.000 1.044 533 I HN 0.265 nan 8.210 nan 0.000 0.402 534 P HA -0.202 nan 4.420 nan 0.000 0.216 534 P C 1.440 178.757 177.300 0.028 0.000 1.150 534 P CA 1.619 64.742 63.100 0.038 0.000 0.837 534 P CB -0.105 31.622 31.700 0.045 0.000 0.786 535 R N 0.429 120.943 120.500 0.024 0.000 2.073 535 R HA 0.025 4.365 4.340 -0.000 0.000 0.229 535 R C 2.565 178.845 176.300 -0.034 0.000 1.120 535 R CA 1.133 57.205 56.100 -0.048 0.000 0.967 535 R CB -1.690 28.517 30.300 -0.155 0.000 0.862 535 R HN 0.137 nan 8.270 nan 0.000 0.436 536 L N -0.454 120.773 121.223 0.006 0.000 2.046 536 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 536 L C 2.240 179.139 176.870 0.049 0.000 1.077 536 L CA 1.128 55.990 54.840 0.035 0.000 0.747 536 L CB -0.434 41.659 42.059 0.056 0.000 0.896 536 L HN 0.037 nan 8.230 nan 0.000 0.432 537 V N -0.847 119.090 119.914 0.039 0.000 2.358 537 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 537 V C 2.551 178.654 176.094 0.015 0.000 1.047 537 V CA 1.413 63.727 62.300 0.024 0.000 1.035 537 V CB -0.473 31.352 31.823 0.002 0.000 0.658 537 V HN 0.461 nan 8.190 nan 0.000 0.452 538 Q N -0.327 119.481 119.800 0.014 0.000 2.084 538 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 538 Q C 2.306 178.332 176.000 0.044 0.000 0.978 538 Q CA 1.594 57.408 55.803 0.018 0.000 0.844 538 Q CB -0.523 28.220 28.738 0.008 0.000 0.898 538 Q HN 0.539 nan 8.270 nan 0.000 0.426 539 L N 0.192 121.445 121.223 0.050 0.000 2.012 539 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 539 L C 2.422 179.367 176.870 0.125 0.000 1.073 539 L CA 0.823 55.731 54.840 0.113 0.000 0.748 539 L CB -0.582 41.547 42.059 0.116 0.000 0.891 539 L HN 0.214 nan 8.230 nan 0.000 0.431 540 L N -0.538 120.741 121.223 0.093 0.000 1.989 540 L HA -0.187 4.152 4.340 -0.000 0.000 0.211 540 L C 2.390 179.312 176.870 0.086 0.000 1.071 540 L CA 1.770 56.663 54.840 0.089 0.000 0.749 540 L CB -0.531 41.576 42.059 0.080 0.000 0.890 540 L HN -0.069 nan 8.230 nan 0.000 0.431 541 V N 0.011 119.958 119.914 0.056 0.000 2.287 541 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 541 V C 2.835 178.983 176.094 0.089 0.000 1.053 541 V CA 2.100 64.435 62.300 0.059 0.000 1.027 541 V CB -0.793 31.040 31.823 0.018 0.000 0.646 541 V HN 0.542 nan 8.190 nan 0.000 0.447 542 R N 0.958 121.508 120.500 0.083 0.000 2.075 542 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 542 R C 2.128 178.475 176.300 0.078 0.000 1.126 542 R CA 1.850 58.000 56.100 0.084 0.000 0.963 542 R CB -1.013 29.351 30.300 0.107 0.000 0.858 542 R HN 0.427 nan 8.270 nan 0.000 0.435 543 A N -0.464 122.410 122.820 0.090 0.000 1.902 543 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 543 A C 2.113 179.720 177.584 0.038 0.000 1.181 543 A CA 1.873 53.925 52.037 0.025 0.000 0.623 543 A CB -0.934 18.073 19.000 0.012 0.000 0.818 543 A HN 0.640 nan 8.150 nan 0.000 0.443 544 H N -0.327 118.739 119.070 -0.007 0.000 2.321 544 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 544 H C 2.150 177.471 175.328 -0.012 0.000 1.087 544 H CA 2.155 58.199 56.048 -0.007 0.000 1.319 544 H CB -0.324 29.440 29.762 0.003 0.000 1.379 544 H HN 0.603 nan 8.280 nan 0.000 0.501 545 Q N 0.054 119.800 119.800 -0.089 0.000 2.077 545 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 545 Q C 1.470 177.388 176.000 -0.136 0.000 0.989 545 Q CA 2.066 57.784 55.803 -0.141 0.000 0.853 545 Q CB -0.025 28.690 28.738 -0.037 0.000 0.907 545 Q HN 0.573 nan 8.270 nan 0.000 0.418 546 D N 0.007 120.357 120.400 -0.084 0.000 2.104 546 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 546 D C 2.057 178.294 176.300 -0.105 0.000 0.994 546 D CA 2.143 56.096 54.000 -0.078 0.000 0.830 546 D CB -0.634 40.125 40.800 -0.068 0.000 0.959 546 D HN 0.543 nan 8.370 nan 0.000 0.452 547 T N -0.847 113.633 114.554 -0.124 0.000 2.849 547 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 547 T C 1.553 176.172 174.700 -0.136 0.000 1.066 547 T CA 0.872 62.905 62.100 -0.112 0.000 1.130 547 T CB -0.095 68.728 68.868 -0.076 0.000 0.864 547 T HN -0.028 nan 8.240 nan 0.000 0.481 548 Q N 0.610 120.283 119.800 -0.213 0.000 2.403 548 Q HA 0.305 4.645 4.340 -0.000 0.000 0.203 548 Q C 0.783 176.713 176.000 -0.117 0.000 0.932 548 Q CA 0.258 55.946 55.803 -0.191 0.000 0.945 548 Q CB 0.240 28.802 28.738 -0.294 0.000 1.045 548 Q HN 0.645 nan 8.270 nan 0.000 0.511 564 V N 1.220 121.140 119.914 0.010 0.000 2.585 564 V HA 0.245 4.365 4.120 -0.000 0.000 0.296 564 V C 1.068 177.071 176.094 -0.152 0.000 1.035 564 V CA 0.084 62.357 62.300 -0.045 0.000 1.084 564 V CB 0.544 32.362 31.823 -0.009 0.000 0.953 564 V HN 0.702 nan 8.190 nan 0.000 0.483 568 E N 1.208 121.385 120.200 -0.039 0.000 2.106 568 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 568 E C 1.523 178.125 176.600 0.002 0.000 0.984 568 E CA 1.147 57.540 56.400 -0.012 0.000 0.806 568 E CB 0.066 29.758 29.700 -0.013 0.000 0.750 568 E HN 0.145 nan 8.360 nan 0.000 0.458 569 I N 0.970 121.519 120.570 -0.035 0.000 2.252 569 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 569 I C 2.442 178.584 176.117 0.042 0.000 1.102 569 I CA 0.834 62.141 61.300 0.011 0.000 1.385 569 I CB -1.132 36.833 38.000 -0.058 0.000 1.064 569 I HN -0.014 nan 8.210 nan 0.000 0.414 570 V N 1.059 120.990 119.914 0.028 0.000 2.219 570 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 570 V C 2.631 178.762 176.094 0.062 0.000 1.053 570 V CA 2.300 64.637 62.300 0.062 0.000 1.009 570 V CB -0.748 31.121 31.823 0.076 0.000 0.636 570 V HN 0.450 nan 8.190 nan 0.000 0.445 571 E N 0.057 120.286 120.200 0.048 0.000 2.058 571 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 571 E C 2.252 178.884 176.600 0.054 0.000 0.997 571 E CA 1.536 57.964 56.400 0.046 0.000 0.801 571 E CB -0.516 29.208 29.700 0.040 0.000 0.746 571 E HN 0.590 nan 8.360 nan 0.000 0.450 572 G N 0.630 109.466 108.800 0.059 0.000 2.480 572 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 572 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 572 G C 1.776 176.720 174.900 0.074 0.000 1.200 572 G CA 1.112 46.254 45.100 0.069 0.000 0.782 572 G HN 0.421 nan 8.290 nan 0.000 0.554 573 C N 0.455 119.806 119.300 0.085 0.000 2.429 573 C HA -0.003 4.457 4.460 -0.000 0.000 0.277 573 C C 3.266 178.317 174.990 0.102 0.000 1.262 573 C CA 1.509 60.584 59.018 0.094 0.000 1.733 573 C CB -1.107 26.696 27.740 0.105 0.000 2.010 573 C HN 0.454 nan 8.230 nan 0.000 0.483 574 T N 0.598 115.214 114.554 0.103 0.000 2.788 574 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 574 T C 1.984 176.691 174.700 0.013 0.000 1.044 574 T CA 1.717 63.863 62.100 0.077 0.000 1.139 574 T CB -0.572 68.327 68.868 0.051 0.000 0.867 574 T HN 0.706 nan 8.240 nan 0.000 0.454 575 G N 1.108 109.934 108.800 0.042 0.000 2.418 575 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 575 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 575 G C 1.830 176.767 174.900 0.061 0.000 1.158 575 G CA 0.831 45.970 45.100 0.065 0.000 0.771 575 G HN 0.574 nan 8.290 nan 0.000 0.545 576 A N 0.554 123.406 122.820 0.053 0.000 1.902 576 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 576 A C 2.425 180.025 177.584 0.026 0.000 1.181 576 A CA 1.185 53.246 52.037 0.040 0.000 0.623 576 A CB -0.389 18.642 19.000 0.051 0.000 0.818 576 A HN 0.349 nan 8.150 nan 0.000 0.443 577 L N -1.467 119.782 121.223 0.044 0.000 2.083 577 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 577 L C 2.598 179.464 176.870 -0.007 0.000 1.083 577 L CA 1.646 56.508 54.840 0.038 0.000 0.752 577 L CB -0.763 41.366 42.059 0.117 0.000 0.899 577 L HN 0.671 nan 8.230 nan 0.000 0.433 578 H N 0.381 119.355 119.070 -0.161 0.000 2.319 578 H HA -0.201 4.355 4.556 -0.000 0.000 0.299 578 H C 2.292 177.531 175.328 -0.148 0.000 1.092 578 H CA 1.670 57.591 56.048 -0.212 0.000 1.302 578 H CB 0.368 29.998 29.762 -0.220 0.000 1.373 578 H HN 0.139 nan 8.280 nan 0.000 0.497 579 I N 1.060 121.520 120.570 -0.182 0.000 2.202 579 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 579 I C 2.737 178.731 176.117 -0.205 0.000 1.091 579 I CA 0.852 62.014 61.300 -0.230 0.000 1.368 579 I CB -1.200 36.724 38.000 -0.127 0.000 1.058 579 I HN 0.363 nan 8.210 nan 0.000 0.410 580 L N 0.967 122.097 121.223 -0.156 0.000 2.127 580 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 580 L C 2.506 179.230 176.870 -0.244 0.000 1.089 580 L CA 1.169 55.877 54.840 -0.221 0.000 0.757 580 L CB -0.658 41.346 42.059 -0.090 0.000 0.899 580 L HN 0.192 nan 8.230 nan 0.000 0.434 581 A N -0.157 122.578 122.820 -0.141 0.000 2.259 581 A HA -0.135 4.185 4.320 -0.000 0.000 0.212 581 A C 2.199 179.713 177.584 -0.117 0.000 1.178 581 A CA 0.845 52.824 52.037 -0.098 0.000 0.734 581 A CB -0.547 18.422 19.000 -0.051 0.000 0.774 581 A HN 0.376 nan 8.150 nan 0.000 0.481 582 R N -0.029 120.360 120.500 -0.186 0.000 2.235 582 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 582 R C 0.311 176.556 176.300 -0.091 0.000 1.059 582 R CA 0.725 56.754 56.100 -0.118 0.000 0.997 582 R CB 0.028 30.277 30.300 -0.084 0.000 0.884 582 R HN 0.561 nan 8.270 nan 0.000 0.462 583 D N 0.464 120.759 120.400 -0.176 0.000 2.198 583 D HA -0.004 4.636 4.640 -0.000 0.000 0.245 583 D C 0.985 177.241 176.300 -0.073 0.000 1.079 583 D CA -0.123 53.840 54.000 -0.061 0.000 0.854 583 D CB 2.229 43.008 40.800 -0.035 0.000 1.148 583 D HN -0.191 nan 8.370 nan 0.000 0.456 584 V N 5.738 125.583 119.914 -0.115 0.000 2.332 584 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 584 V C 1.872 177.832 176.094 -0.224 0.000 1.055 584 V CA 1.727 63.907 62.300 -0.199 0.000 1.038 584 V CB -0.623 31.026 31.823 -0.289 0.000 0.651 584 V HN 0.639 nan 8.190 nan 0.000 0.450 585 H N 0.177 119.256 119.070 0.015 0.000 2.423 585 H HA -0.050 4.506 4.556 -0.000 0.000 0.297 585 H C 2.248 177.581 175.328 0.010 0.000 1.075 585 H CA 1.642 57.699 56.048 0.015 0.000 1.342 585 H CB -0.390 29.386 29.762 0.022 0.000 1.395 585 H HN 0.472 nan 8.280 nan 0.000 0.530 586 N N 1.120 119.869 118.700 0.081 0.000 2.188 586 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 586 N C 2.002 177.526 175.510 0.024 0.000 1.018 586 N CA 0.542 53.615 53.050 0.039 0.000 0.858 586 N CB -0.204 38.271 38.487 -0.021 0.000 0.989 586 N HN 0.379 nan 8.380 nan 0.000 0.426 587 R N 0.273 120.773 120.500 -0.000 0.000 2.096 587 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 587 R C 1.792 178.107 176.300 0.025 0.000 1.127 587 R CA 0.686 56.790 56.100 0.007 0.000 0.968 587 R CB -0.153 30.137 30.300 -0.016 0.000 0.861 587 R HN 0.192 nan 8.270 nan 0.000 0.440 588 I N 0.402 120.988 120.570 0.026 0.000 2.202 588 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 588 I C 2.419 178.563 176.117 0.044 0.000 1.091 588 I CA 1.244 62.566 61.300 0.038 0.000 1.368 588 I CB -1.005 37.029 38.000 0.058 0.000 1.058 588 I HN -0.059 nan 8.210 nan 0.000 0.410 589 V N 1.331 121.277 119.914 0.053 0.000 2.261 589 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 589 V C 2.545 178.665 176.094 0.044 0.000 1.047 589 V CA 1.635 63.964 62.300 0.048 0.000 1.015 589 V CB -0.451 31.404 31.823 0.052 0.000 0.642 589 V HN 0.254 nan 8.190 nan 0.000 0.446 590 I N -0.295 120.309 120.570 0.057 0.000 2.151 590 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 590 I C 2.794 178.947 176.117 0.060 0.000 1.080 590 I CA 1.870 63.218 61.300 0.079 0.000 1.339 590 I CB -0.417 37.660 38.000 0.128 0.000 1.039 590 I HN 0.238 nan 8.210 nan 0.000 0.409 591 R N 0.457 120.990 120.500 0.056 0.000 2.075 591 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 591 R C 2.405 178.712 176.300 0.012 0.000 1.126 591 R CA 1.368 57.490 56.100 0.036 0.000 0.963 591 R CB -0.758 29.564 30.300 0.035 0.000 0.858 591 R HN 0.441 nan 8.270 nan 0.000 0.435 592 G N 0.690 109.499 108.800 0.016 0.000 2.498 592 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 592 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 592 G C 1.103 176.001 174.900 -0.003 0.000 1.119 592 G CA 0.417 45.523 45.100 0.009 0.000 0.766 592 G HN 0.178 nan 8.290 nan 0.000 0.552 593 L N 0.090 121.307 121.223 -0.010 0.000 2.653 593 L HA 0.221 4.561 4.340 -0.000 0.000 0.232 593 L C 0.940 177.774 176.870 -0.060 0.000 1.169 593 L CA -0.291 54.533 54.840 -0.027 0.000 0.951 593 L CB -0.422 41.624 42.059 -0.022 0.000 1.181 593 L HN 0.207 nan 8.230 nan 0.000 0.460 594 N N 0.594 119.258 118.700 -0.058 0.000 2.705 594 N HA -0.221 4.519 4.740 -0.000 0.000 0.255 594 N C 0.953 176.369 175.510 -0.156 0.000 1.008 594 N CA 0.944 53.946 53.050 -0.080 0.000 0.742 594 N CB -0.529 37.923 38.487 -0.059 0.000 0.906 594 N HN 0.506 nan 8.380 nan 0.000 0.541 595 T N -3.165 111.250 114.554 -0.231 0.000 3.051 595 T HA 0.182 4.532 4.350 -0.000 0.000 0.255 595 T C 1.992 176.322 174.700 -0.617 0.000 1.085 595 T CA 0.570 62.349 62.100 -0.535 0.000 1.109 595 T CB -0.095 68.331 68.868 -0.737 0.000 0.921 595 T HN 0.340 nan 8.240 nan 0.000 0.488 596 I N 2.286 122.716 120.570 -0.233 0.000 2.151 596 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 596 I C -0.621 175.465 176.117 -0.051 0.000 1.080 596 I CA 1.494 62.771 61.300 -0.037 0.000 1.339 596 I CB -1.105 36.914 38.000 0.032 0.000 1.039 596 I HN 0.224 nan 8.210 nan 0.000 0.409 597 P HA -0.193 nan 4.420 nan 0.000 0.215 597 P C 1.761 179.020 177.300 -0.068 0.000 1.153 597 P CA 1.158 64.228 63.100 -0.050 0.000 0.853 597 P CB 0.031 31.698 31.700 -0.054 0.000 0.788 598 L N -1.642 119.478 121.223 -0.172 0.000 2.027 598 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 598 L C 2.034 178.833 176.870 -0.117 0.000 1.074 598 L CA 1.892 56.607 54.840 -0.208 0.000 0.745 598 L CB -1.532 40.337 42.059 -0.317 0.000 0.898 598 L HN -0.164 nan 8.230 nan 0.000 0.433 599 F N -0.665 119.239 119.950 -0.076 0.000 2.126 599 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 599 F C 2.584 178.355 175.800 -0.049 0.000 1.096 599 F CA 1.386 59.340 58.000 -0.077 0.000 1.255 599 F CB -1.464 37.495 39.000 -0.070 0.000 0.997 599 F HN -0.082 nan 8.300 nan 0.000 0.479 600 V N -0.365 119.653 119.914 0.173 0.000 2.343 600 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 600 V C 2.417 178.632 176.094 0.203 0.000 1.051 600 V CA 1.948 64.334 62.300 0.143 0.000 1.036 600 V CB -0.681 31.215 31.823 0.121 0.000 0.654 600 V HN 0.268 nan 8.190 nan 0.000 0.451 601 Q N 0.102 119.988 119.800 0.144 0.000 2.170 601 Q HA -0.131 4.209 4.340 -0.000 0.000 0.203 601 Q C 1.913 178.039 176.000 0.210 0.000 0.976 601 Q CA 1.717 57.620 55.803 0.167 0.000 0.858 601 Q CB -0.490 28.265 28.738 0.028 0.000 0.907 601 Q HN 0.630 nan 8.270 nan 0.000 0.433 602 L N -0.174 121.095 121.223 0.077 0.000 2.362 602 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 602 L C 1.926 178.849 176.870 0.089 0.000 1.134 602 L CA 0.368 55.240 54.840 0.054 0.000 0.807 602 L CB -0.358 41.710 42.059 0.014 0.000 0.927 602 L HN 0.302 nan 8.230 nan 0.000 0.447 603 L N -1.400 119.876 121.223 0.088 0.000 2.191 603 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 603 L C 1.894 178.700 176.870 -0.106 0.000 1.103 603 L CA 1.232 56.042 54.840 -0.049 0.000 0.769 603 L CB -0.480 41.488 42.059 -0.152 0.000 0.908 603 L HN 0.271 nan 8.230 nan 0.000 0.438 604 Y N -0.700 119.613 120.300 0.021 0.000 2.529 604 Y HA 0.066 4.616 4.550 -0.000 0.000 0.290 604 Y C 1.724 177.645 175.900 0.036 0.000 1.177 604 Y CA -0.243 57.874 58.100 0.029 0.000 1.305 604 Y CB -0.330 38.151 38.460 0.035 0.000 1.047 604 Y HN -0.014 nan 8.280 nan 0.000 0.522 605 S N 1.263 117.058 115.700 0.158 0.000 2.558 605 S HA 0.005 4.475 4.470 -0.000 0.000 0.288 605 S C -1.470 173.178 174.600 0.079 0.000 1.318 605 S CA -1.079 57.193 58.200 0.119 0.000 1.056 605 S CB 0.860 64.115 63.200 0.091 0.000 0.853 605 S HN 0.072 nan 8.310 nan 0.000 0.505 606 P HA 0.140 nan 4.420 nan 0.000 0.225 606 P C -0.368 176.954 177.300 0.037 0.000 1.156 606 P CA 0.410 63.540 63.100 0.050 0.000 0.787 606 P CB 0.072 31.799 31.700 0.045 0.000 0.802 607 I N 0.515 121.109 120.570 0.039 0.000 2.352 607 I HA 0.052 4.222 4.170 -0.000 0.000 0.290 607 I C 1.507 177.640 176.117 0.027 0.000 1.036 607 I CA 0.089 61.407 61.300 0.031 0.000 1.336 607 I CB 0.225 38.244 38.000 0.032 0.000 1.407 607 I HN -0.090 nan 8.210 nan 0.000 0.497 608 E N 3.739 123.952 120.200 0.022 0.000 2.085 608 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 608 E C 1.137 177.751 176.600 0.024 0.000 0.994 608 E CA 1.234 57.645 56.400 0.019 0.000 0.801 608 E CB -0.040 29.669 29.700 0.016 0.000 0.743 608 E HN 0.593 nan 8.360 nan 0.000 0.453 609 N N 0.882 119.598 118.700 0.028 0.000 2.223 609 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 609 N C 1.832 177.358 175.510 0.028 0.000 1.016 609 N CA 0.877 53.947 53.050 0.034 0.000 0.863 609 N CB -0.134 38.375 38.487 0.036 0.000 0.983 609 N HN 0.234 nan 8.380 nan 0.000 0.429 610 I N 1.008 121.593 120.570 0.025 0.000 2.353 610 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 610 I C 2.099 178.216 176.117 0.000 0.000 1.119 610 I CA 0.808 62.119 61.300 0.019 0.000 1.417 610 I CB -0.154 37.867 38.000 0.036 0.000 1.078 610 I HN 0.112 nan 8.210 nan 0.000 0.421 611 Q N 0.232 120.036 119.800 0.006 0.000 2.124 611 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 611 Q C 2.312 178.303 176.000 -0.015 0.000 0.977 611 Q CA 1.426 57.224 55.803 -0.009 0.000 0.850 611 Q CB -0.160 28.575 28.738 -0.006 0.000 0.901 611 Q HN 0.382 nan 8.270 nan 0.000 0.429 612 R N 0.402 120.911 120.500 0.015 0.000 2.062 612 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 612 R C 2.273 178.547 176.300 -0.043 0.000 1.136 612 R CA 1.663 57.805 56.100 0.070 0.000 0.948 612 R CB -0.136 30.230 30.300 0.110 0.000 0.845 612 R HN 0.307 nan 8.270 nan 0.000 0.430 613 V N -1.756 118.103 119.914 -0.092 0.000 2.667 613 V HA 0.040 4.160 4.120 -0.000 0.000 0.252 613 V C 2.213 178.061 176.094 -0.409 0.000 1.065 613 V CA 1.466 63.621 62.300 -0.243 0.000 1.083 613 V CB -0.777 30.997 31.823 -0.081 0.000 0.692 613 V HN 0.350 nan 8.190 nan 0.000 0.468 614 A N 0.962 123.622 122.820 -0.267 0.000 1.873 614 A HA 0.156 4.476 4.320 -0.000 0.000 0.215 614 A C 2.473 179.842 177.584 -0.358 0.000 1.186 614 A CA 2.064 53.928 52.037 -0.289 0.000 0.616 614 A CB -1.029 17.914 19.000 -0.095 0.000 0.823 614 A HN 0.872 nan 8.150 nan 0.000 0.442 615 A N -0.533 122.119 122.820 -0.280 0.000 1.969 615 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 615 A C 2.333 179.591 177.584 -0.543 0.000 1.169 615 A CA 1.796 53.680 52.037 -0.255 0.000 0.635 615 A CB -1.200 17.761 19.000 -0.064 0.000 0.810 615 A HN 0.673 nan 8.150 nan 0.000 0.445 616 G N -0.923 107.268 108.800 -1.015 0.000 2.402 616 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 616 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 616 G C 1.597 175.767 174.900 -1.217 0.000 1.162 616 G CA 1.097 45.094 45.100 -1.838 0.000 0.777 616 G HN 0.465 nan 8.290 nan 0.000 0.539 617 V N 0.646 119.981 119.914 -0.965 0.000 2.427 617 V HA 0.003 4.123 4.120 -0.000 0.000 0.248 617 V C 2.809 178.638 176.094 -0.441 0.000 1.051 617 V CA 1.378 63.316 62.300 -0.603 0.000 1.048 617 V CB -0.218 31.084 31.823 -0.867 0.000 0.666 617 V HN 0.394 nan 8.190 nan 0.000 0.456 618 L N -0.598 120.370 121.223 -0.425 0.000 2.046 618 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 618 L C 2.777 179.557 176.870 -0.150 0.000 1.077 618 L CA 1.854 56.573 54.840 -0.202 0.000 0.747 618 L CB -0.876 41.102 42.059 -0.134 0.000 0.896 618 L HN 0.543 nan 8.230 nan 0.000 0.432 619 C N 0.361 119.536 119.300 -0.207 0.000 2.413 619 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 619 C C 2.827 177.782 174.990 -0.059 0.000 1.236 619 C CA 1.031 59.985 59.018 -0.106 0.000 1.735 619 C CB -0.628 27.043 27.740 -0.115 0.000 2.031 619 C HN 0.488 nan 8.230 nan 0.000 0.474 620 E N 0.608 120.758 120.200 -0.083 0.000 2.051 620 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 620 E C 2.160 178.743 176.600 -0.028 0.000 0.991 620 E CA 1.276 57.659 56.400 -0.029 0.000 0.799 620 E CB -0.630 29.061 29.700 -0.015 0.000 0.748 620 E HN 0.699 nan 8.360 nan 0.000 0.449 621 L N 0.510 121.708 121.223 -0.042 0.000 2.046 621 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 621 L C 2.410 179.276 176.870 -0.006 0.000 1.077 621 L CA 1.087 55.919 54.840 -0.013 0.000 0.747 621 L CB -0.523 41.544 42.059 0.012 0.000 0.896 621 L HN 0.038 nan 8.230 nan 0.000 0.432 622 A N 0.249 123.063 122.820 -0.010 0.000 2.225 622 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 622 A C 2.172 179.756 177.584 -0.001 0.000 1.164 622 A CA 1.165 53.199 52.037 -0.004 0.000 0.710 622 A CB -0.542 18.457 19.000 -0.003 0.000 0.780 622 A HN 0.683 nan 8.150 nan 0.000 0.473 623 Q N -0.457 119.345 119.800 0.004 0.000 2.436 623 Q HA -0.023 4.317 4.340 -0.000 0.000 0.209 623 Q C -0.751 175.247 176.000 -0.004 0.000 0.965 623 Q CA 0.636 56.444 55.803 0.009 0.000 0.910 623 Q CB -0.123 28.623 28.738 0.014 0.000 0.980 623 Q HN 0.443 nan 8.270 nan 0.000 0.491 624 D N 1.376 121.771 120.400 -0.008 0.000 2.280 624 D HA 0.068 4.707 4.640 -0.000 0.000 0.236 624 D C 0.244 176.537 176.300 -0.013 0.000 1.082 624 D CA -0.270 53.722 54.000 -0.012 0.000 0.834 624 D CB 2.031 42.823 40.800 -0.013 0.000 1.100 624 D HN -0.041 nan 8.370 nan 0.000 0.486 625 K N 2.554 122.944 120.400 -0.017 0.000 2.059 625 K HA -0.246 4.074 4.320 -0.000 0.000 0.212 625 K C 1.563 178.154 176.600 -0.015 0.000 1.050 625 K CA 1.623 57.898 56.287 -0.020 0.000 0.927 625 K CB -0.021 32.466 32.500 -0.022 0.000 0.714 625 K HN 0.481 nan 8.250 nan 0.000 0.447 626 E N -0.955 119.239 120.200 -0.010 0.000 2.118 626 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 626 E C 1.706 178.305 176.600 -0.002 0.000 0.992 626 E CA 1.171 57.567 56.400 -0.005 0.000 0.804 626 E CB -0.199 29.500 29.700 -0.002 0.000 0.741 626 E HN 0.436 nan 8.360 nan 0.000 0.458 627 A N 1.007 123.828 122.820 0.000 0.000 1.898 627 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 627 A C 2.370 179.957 177.584 0.005 0.000 1.181 627 A CA 1.521 53.562 52.037 0.008 0.000 0.620 627 A CB -0.638 18.369 19.000 0.011 0.000 0.819 627 A HN 0.389 nan 8.150 nan 0.000 0.442 628 A N 0.134 122.951 122.820 -0.005 0.000 1.908 628 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 628 A C 1.908 179.486 177.584 -0.009 0.000 1.181 628 A CA 1.746 53.777 52.037 -0.011 0.000 0.627 628 A CB -0.567 18.418 19.000 -0.026 0.000 0.818 628 A HN 0.654 nan 8.150 nan 0.000 0.445 629 E N -0.291 119.903 120.200 -0.010 0.000 2.072 629 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 629 E C 2.333 178.933 176.600 -0.000 0.000 0.985 629 E CA 0.884 57.280 56.400 -0.008 0.000 0.801 629 E CB -0.305 29.390 29.700 -0.009 0.000 0.750 629 E HN 0.627 nan 8.360 nan 0.000 0.452 630 A N 1.380 124.202 122.820 0.004 0.000 1.902 630 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 630 A C 2.196 179.789 177.584 0.015 0.000 1.181 630 A CA 1.080 53.122 52.037 0.009 0.000 0.623 630 A CB -0.591 18.416 19.000 0.011 0.000 0.818 630 A HN 0.127 nan 8.150 nan 0.000 0.443 631 I N -0.533 120.048 120.570 0.019 0.000 2.179 631 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 631 I C 2.592 178.721 176.117 0.021 0.000 1.088 631 I CA 1.881 63.197 61.300 0.026 0.000 1.357 631 I CB -0.347 37.667 38.000 0.023 0.000 1.051 631 I HN 0.602 nan 8.210 nan 0.000 0.409 632 E N 1.646 121.852 120.200 0.010 0.000 2.051 632 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 632 E C 2.221 178.828 176.600 0.013 0.000 0.991 632 E CA 1.396 57.801 56.400 0.008 0.000 0.799 632 E CB -0.114 29.585 29.700 -0.002 0.000 0.748 632 E HN 0.445 nan 8.360 nan 0.000 0.449 633 A N 0.710 123.536 122.820 0.010 0.000 2.076 633 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 633 A C 1.936 179.529 177.584 0.016 0.000 1.160 633 A CA 1.655 53.699 52.037 0.010 0.000 0.653 633 A CB -0.442 18.562 19.000 0.006 0.000 0.801 633 A HN 0.305 nan 8.150 nan 0.000 0.455 634 E N -0.683 119.530 120.200 0.022 0.000 2.489 634 E HA 0.257 4.607 4.350 -0.000 0.000 0.193 634 E C 0.993 177.621 176.600 0.047 0.000 1.057 634 E CA 0.577 56.996 56.400 0.031 0.000 0.866 634 E CB -0.605 29.116 29.700 0.036 0.000 0.916 634 E HN 0.730 nan 8.360 nan 0.000 0.500 635 G N 0.009 108.835 108.800 0.043 0.000 2.272 635 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 635 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 635 G C 0.785 175.730 174.900 0.075 0.000 1.067 635 G CA 0.434 45.567 45.100 0.056 0.000 0.902 635 G HN 0.463 nan 8.290 nan 0.000 0.500 636 A N -1.035 121.816 122.820 0.052 0.000 2.132 636 A HA 0.352 4.672 4.320 -0.000 0.000 0.213 636 A C 2.343 179.931 177.584 0.007 0.000 1.154 636 A CA 2.119 54.179 52.037 0.040 0.000 0.753 636 A CB -0.265 18.753 19.000 0.030 0.000 0.826 636 A HN 0.687 nan 8.150 nan 0.000 0.469 637 T N 0.690 115.250 114.554 0.011 0.000 2.684 637 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 637 T C 2.246 176.939 174.700 -0.012 0.000 1.036 637 T CA 1.757 63.856 62.100 -0.002 0.000 1.148 637 T CB -0.416 68.455 68.868 0.005 0.000 0.863 637 T HN 0.593 nan 8.240 nan 0.000 0.436 638 A N 2.498 125.321 122.820 0.005 0.000 1.841 638 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 638 A C 0.539 178.087 177.584 -0.060 0.000 1.199 638 A CA 1.556 53.593 52.037 0.000 0.000 0.621 638 A CB -1.664 17.365 19.000 0.047 0.000 0.835 638 A HN 0.425 nan 8.150 nan 0.000 0.445 639 P HA -0.168 nan 4.420 nan 0.000 0.215 639 P C 1.650 178.820 177.300 -0.216 0.000 1.153 639 P CA 1.189 64.095 63.100 -0.323 0.000 0.853 639 P CB -0.236 31.079 31.700 -0.642 0.000 0.788 640 L N -0.629 120.511 121.223 -0.138 0.000 2.012 640 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 640 L C 2.743 179.543 176.870 -0.117 0.000 1.073 640 L CA 2.135 56.912 54.840 -0.106 0.000 0.748 640 L CB -1.683 40.340 42.059 -0.061 0.000 0.891 640 L HN 0.039 nan 8.230 nan 0.000 0.431 641 T N -0.625 113.868 114.554 -0.102 0.000 2.684 641 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 641 T C 1.696 176.278 174.700 -0.196 0.000 1.036 641 T CA 1.626 63.654 62.100 -0.119 0.000 1.148 641 T CB -0.220 68.615 68.868 -0.055 0.000 0.863 641 T HN 0.422 nan 8.240 nan 0.000 0.436 642 E N 0.950 121.071 120.200 -0.130 0.000 2.023 642 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 642 E C 2.228 178.732 176.600 -0.161 0.000 1.003 642 E CA 0.995 57.339 56.400 -0.093 0.000 0.809 642 E CB -0.442 29.222 29.700 -0.060 0.000 0.755 642 E HN 0.398 nan 8.360 nan 0.000 0.449 643 L N 1.120 122.252 121.223 -0.151 0.000 2.450 643 L HA -0.199 4.141 4.340 -0.000 0.000 0.225 643 L C 2.314 179.087 176.870 -0.162 0.000 1.145 643 L CA 0.406 55.170 54.840 -0.126 0.000 0.801 643 L CB -0.381 41.613 42.059 -0.108 0.000 0.924 643 L HN 0.208 nan 8.230 nan 0.000 0.447 644 L N -0.785 120.259 121.223 -0.297 0.000 2.265 644 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 644 L C 1.681 178.360 176.870 -0.319 0.000 1.117 644 L CA 0.730 55.363 54.840 -0.345 0.000 0.782 644 L CB -0.400 41.373 42.059 -0.477 0.000 0.914 644 L HN 0.448 nan 8.230 nan 0.000 0.441 645 H N -2.081 116.977 119.070 -0.021 0.000 2.505 645 H HA 0.206 4.762 4.556 -0.000 0.000 0.286 645 H C 0.783 176.099 175.328 -0.019 0.000 1.072 645 H CA -0.210 55.827 56.048 -0.018 0.000 1.141 645 H CB 0.262 30.015 29.762 -0.015 0.000 1.550 645 H HN 0.030 nan 8.280 nan 0.000 0.547 646 S N 1.766 117.487 115.700 0.035 0.000 2.549 646 S HA -0.015 4.455 4.470 -0.000 0.000 0.286 646 S C 1.737 176.349 174.600 0.019 0.000 1.314 646 S CA -0.575 57.635 58.200 0.018 0.000 1.062 646 S CB 0.703 63.896 63.200 -0.012 0.000 0.865 646 S HN 0.672 nan 8.310 nan 0.000 0.498 647 R N 3.726 124.236 120.500 0.018 0.000 2.237 647 R HA -0.019 4.321 4.340 -0.000 0.000 0.219 647 R C 0.470 176.770 176.300 -0.000 0.000 1.080 647 R CA 0.705 56.811 56.100 0.011 0.000 0.995 647 R CB -0.360 29.946 30.300 0.010 0.000 0.875 647 R HN 0.499 nan 8.270 nan 0.000 0.462 648 N N 2.020 120.718 118.700 -0.004 0.000 2.415 648 N HA -0.043 4.697 4.740 -0.000 0.000 0.246 648 N C 0.085 175.578 175.510 -0.028 0.000 1.078 648 N CA 0.100 53.143 53.050 -0.012 0.000 0.942 648 N CB 1.446 39.930 38.487 -0.005 0.000 1.140 648 N HN 0.343 nan 8.380 nan 0.000 0.501 649 E N 2.751 122.928 120.200 -0.039 0.000 2.118 649 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 649 E C 1.523 178.058 176.600 -0.109 0.000 0.992 649 E CA 1.411 57.774 56.400 -0.062 0.000 0.804 649 E CB -0.050 29.615 29.700 -0.058 0.000 0.741 649 E HN 0.817 nan 8.360 nan 0.000 0.458 650 G N 0.347 109.077 108.800 -0.117 0.000 2.404 650 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 650 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 650 G C 1.631 176.416 174.900 -0.190 0.000 1.174 650 G CA 0.870 45.840 45.100 -0.217 0.000 0.780 650 G HN 0.212 nan 8.290 nan 0.000 0.537 651 V N 1.816 121.701 119.914 -0.048 0.000 2.220 651 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 651 V C 3.382 179.464 176.094 -0.020 0.000 1.049 651 V CA 2.331 64.637 62.300 0.011 0.000 1.003 651 V CB -1.157 30.665 31.823 -0.001 0.000 0.634 651 V HN 0.486 nan 8.190 nan 0.000 0.444 652 A N -0.448 122.340 122.820 -0.053 0.000 1.903 652 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 652 A C 2.367 179.907 177.584 -0.072 0.000 1.191 652 A CA 2.937 54.935 52.037 -0.064 0.000 0.638 652 A CB -1.231 17.735 19.000 -0.057 0.000 0.823 652 A HN 0.545 nan 8.150 nan 0.000 0.451 653 T N -1.511 112.970 114.554 -0.121 0.000 2.788 653 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 653 T C 1.731 176.372 174.700 -0.097 0.000 1.044 653 T CA 1.704 63.711 62.100 -0.155 0.000 1.139 653 T CB -0.380 68.331 68.868 -0.261 0.000 0.867 653 T HN 0.530 nan 8.240 nan 0.000 0.454 654 Y N 1.257 121.526 120.300 -0.052 0.000 2.263 654 Y HA 0.230 4.780 4.550 -0.000 0.000 0.292 654 Y C 2.644 178.506 175.900 -0.063 0.000 1.130 654 Y CA -0.185 57.878 58.100 -0.062 0.000 1.179 654 Y CB -1.099 37.301 38.460 -0.099 0.000 0.998 654 Y HN 0.186 nan 8.280 nan 0.000 0.532 655 A N 0.078 122.950 122.820 0.087 0.000 1.902 655 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 655 A C 2.501 180.094 177.584 0.015 0.000 1.181 655 A CA 1.973 54.019 52.037 0.014 0.000 0.623 655 A CB -1.199 17.776 19.000 -0.041 0.000 0.818 655 A HN 0.367 nan 8.150 nan 0.000 0.443 656 A N -0.187 122.638 122.820 0.007 0.000 1.902 656 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 656 A C 2.491 180.118 177.584 0.071 0.000 1.181 656 A CA 2.140 54.187 52.037 0.016 0.000 0.623 656 A CB -0.983 18.005 19.000 -0.019 0.000 0.818 656 A HN 1.086 nan 8.150 nan 0.000 0.443 657 A N -0.624 122.246 122.820 0.083 0.000 1.969 657 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 657 A C 2.196 179.874 177.584 0.157 0.000 1.169 657 A CA 1.690 53.806 52.037 0.133 0.000 0.635 657 A CB -0.758 18.326 19.000 0.140 0.000 0.810 657 A HN 0.386 nan 8.150 nan 0.000 0.445 658 V N 0.080 120.051 119.914 0.096 0.000 2.307 658 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 658 V C 2.523 178.652 176.094 0.060 0.000 1.045 658 V CA 1.769 64.102 62.300 0.056 0.000 1.024 658 V CB -0.867 30.962 31.823 0.010 0.000 0.651 658 V HN 0.559 nan 8.190 nan 0.000 0.449 659 L N -1.018 120.243 121.223 0.064 0.000 2.043 659 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 659 L C 2.408 179.332 176.870 0.089 0.000 1.075 659 L CA 1.969 56.843 54.840 0.056 0.000 0.752 659 L CB -0.638 41.451 42.059 0.049 0.000 0.891 659 L HN 0.366 nan 8.230 nan 0.000 0.432 660 F N 0.683 120.629 119.950 -0.007 0.000 2.075 660 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 660 F C 1.975 177.774 175.800 -0.002 0.000 1.113 660 F CA 0.865 58.863 58.000 -0.003 0.000 1.218 660 F CB -0.203 38.797 39.000 -0.000 0.000 0.984 660 F HN -0.121 nan 8.300 nan 0.000 0.472 661 R N 0.000 120.488 120.500 -0.020 0.000 2.786 661 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 661 R CA 0.000 56.027 56.100 -0.121 0.000 0.921 661 R CB 0.000 30.311 30.300 0.019 0.000 0.687 661 R HN 0.000 nan 8.270 nan 0.000 0.535