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 1g3j_1_C DATA FIRST_RESID 223 DATA SEQUENCE HHREGLLAIF KSGGIPALVK MLGSPVDSVL FYAITTLHNL LLHQEGAKMA DATA SEQUENCE VRLAGGLQKM VALLNKTNVK FLAITTDCLQ ILAYGNQESK LIILASGGPQ DATA SEQUENCE ALVNIMRTYT YEKLLWTTSR VLKVLSVCSS NKPAIVEAGG MQALGLHLTD DATA SEQUENCE PSQRLVQNCL WTLRNLSDAA TKQEGMEGLL GTLVQLLGSD DINVVTCAAG DATA SEQUENCE ILSNLTCNNY KNKMMVCQVG GIEALVRTVL RAGDREDITE PAICALRHLT DATA SEQUENCE SRHQEAEMAQ NAVRLHYGLP VVVKLLHPPS HWPLIKATVG LIRNLALCPA DATA SEQUENCE NHAPLREQGA IPRLVQLLVR AHQDTQRRTS MGXXXQQFVE GVRMEEIVEG DATA SEQUENCE CTGALHILAR DVHNRIVIRG LNTIPLFVQL LYSPIENIQR VAAGVLCELA DATA SEQUENCE QDKEAAEAIE AEGATAPLTE LLHSRNEGVA TYAAAVLFRM SE 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 223 H HA 0.000 nan 4.556 nan 0.000 0.296 223 H C 0.000 175.345 175.328 0.028 0.000 0.993 223 H CA 0.000 56.078 56.048 0.051 0.000 1.023 223 H CB 0.000 29.787 29.762 0.042 0.000 1.292 224 H N -1.571 117.509 119.070 0.017 0.000 2.990 224 H HA 0.853 5.409 4.556 -0.000 0.000 0.343 224 H C 1.654 176.972 175.328 -0.016 0.000 1.270 224 H CA 1.488 57.526 56.048 -0.017 0.000 1.118 224 H CB 0.064 29.816 29.762 -0.016 0.000 1.861 224 H HN 1.264 nan 8.280 nan 0.000 0.544 225 R N -0.351 120.122 120.500 -0.046 0.000 2.133 225 R HA -0.106 4.234 4.340 -0.000 0.000 0.245 225 R C 2.420 178.716 176.300 -0.006 0.000 1.137 225 R CA 3.940 60.019 56.100 -0.036 0.000 0.947 225 R CB -2.013 28.258 30.300 -0.049 0.000 0.865 225 R HN 1.396 nan 8.270 nan 0.000 0.437 226 E N 0.029 120.228 120.200 -0.002 0.000 2.106 226 E HA 0.090 4.440 4.350 -0.000 0.000 0.192 226 E C 2.696 179.312 176.600 0.027 0.000 0.984 226 E CA 1.231 57.638 56.400 0.012 0.000 0.806 226 E CB -1.272 28.433 29.700 0.009 0.000 0.750 226 E HN 0.809 nan 8.360 nan 0.000 0.458 227 G N 0.411 109.227 108.800 0.026 0.000 2.459 227 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 227 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 227 G C 1.729 176.663 174.900 0.056 0.000 1.183 227 G CA 1.199 46.322 45.100 0.038 0.000 0.776 227 G HN 0.394 nan 8.290 nan 0.000 0.552 228 L N -0.031 121.228 121.223 0.060 0.000 2.017 228 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 228 L C 2.632 179.565 176.870 0.104 0.000 1.073 228 L CA 0.997 55.886 54.840 0.081 0.000 0.745 228 L CB -1.003 41.101 42.059 0.076 0.000 0.894 228 L HN 0.222 nan 8.230 nan 0.000 0.432 229 L N -0.404 120.864 121.223 0.076 0.000 2.127 229 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 229 L C 2.443 179.403 176.870 0.150 0.000 1.089 229 L CA 1.911 56.812 54.840 0.101 0.000 0.757 229 L CB -0.875 41.212 42.059 0.047 0.000 0.899 229 L HN 0.206 nan 8.230 nan 0.000 0.434 230 A N -0.314 122.566 122.820 0.100 0.000 1.873 230 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 230 A C 2.237 179.874 177.584 0.087 0.000 1.186 230 A CA 1.897 53.983 52.037 0.082 0.000 0.616 230 A CB -0.765 18.267 19.000 0.054 0.000 0.823 230 A HN 0.483 nan 8.150 nan 0.000 0.442 231 I N -1.800 118.828 120.570 0.098 0.000 2.226 231 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 231 I C 2.376 178.555 176.117 0.102 0.000 1.100 231 I CA 1.611 62.962 61.300 0.086 0.000 1.374 231 I CB -0.380 37.675 38.000 0.091 0.000 1.057 231 I HN 0.462 nan 8.210 nan 0.000 0.413 232 F N 2.390 122.349 119.950 0.015 0.000 2.060 232 F HA -0.263 4.264 4.527 -0.000 0.000 0.295 232 F C 2.745 178.551 175.800 0.010 0.000 1.120 232 F CA 2.540 60.547 58.000 0.012 0.000 1.205 232 F CB -0.564 38.443 39.000 0.012 0.000 0.986 232 F HN -0.112 nan 8.300 nan 0.000 0.470 233 K N 0.225 120.707 120.400 0.138 0.000 2.281 233 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 233 K C 2.003 178.564 176.600 -0.066 0.000 1.046 233 K CA 1.737 58.038 56.287 0.024 0.000 0.938 233 K CB -1.939 30.634 32.500 0.122 0.000 0.737 233 K HN 0.642 nan 8.250 nan 0.000 0.458 234 S N -0.576 115.096 115.700 -0.047 0.000 2.528 234 S HA 0.437 4.907 4.470 -0.000 0.000 0.219 234 S C 1.647 176.195 174.600 -0.085 0.000 0.985 234 S CA 0.927 59.099 58.200 -0.046 0.000 0.914 234 S CB -0.156 63.038 63.200 -0.010 0.000 0.776 234 S HN 1.711 nan 8.310 nan 0.000 0.526 235 G N 0.159 108.866 108.800 -0.155 0.000 2.341 235 G HA2 0.040 4.000 3.960 -0.000 0.000 0.278 235 G HA3 0.040 4.000 3.960 -0.000 0.000 0.278 235 G C 0.753 175.600 174.900 -0.088 0.000 1.111 235 G CA 0.279 45.278 45.100 -0.170 0.000 0.982 235 G HN 1.183 nan 8.290 nan 0.000 0.502 236 G N -1.131 107.636 108.800 -0.054 0.000 2.887 236 G HA2 0.437 4.397 3.960 -0.000 0.000 0.211 236 G HA3 0.437 4.397 3.960 -0.000 0.000 0.211 236 G C 1.942 176.848 174.900 0.010 0.000 1.152 236 G CA 1.626 46.721 45.100 -0.008 0.000 0.769 236 G HN 1.544 nan 8.290 nan 0.000 0.541 237 I N 1.999 122.575 120.570 0.010 0.000 2.142 237 I HA 0.017 4.187 4.170 -0.000 0.000 0.240 237 I C 1.115 177.247 176.117 0.025 0.000 1.078 237 I CA 2.094 63.418 61.300 0.040 0.000 1.343 237 I CB -2.056 35.988 38.000 0.072 0.000 1.046 237 I HN 0.213 nan 8.210 nan 0.000 0.405 238 P HA -0.121 nan 4.420 nan 0.000 0.222 238 P C 1.704 179.009 177.300 0.007 0.000 1.147 238 P CA 2.065 65.167 63.100 0.003 0.000 0.790 238 P CB -0.016 31.675 31.700 -0.015 0.000 0.780 239 A N 0.311 123.134 122.820 0.005 0.000 1.874 239 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 239 A C 2.387 179.983 177.584 0.021 0.000 1.189 239 A CA 0.939 52.981 52.037 0.008 0.000 0.615 239 A CB -1.474 17.528 19.000 0.004 0.000 0.830 239 A HN 0.106 nan 8.150 nan 0.000 0.443 240 L N -0.262 120.979 121.223 0.030 0.000 2.131 240 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 240 L C 2.451 179.351 176.870 0.050 0.000 1.092 240 L CA 0.829 55.696 54.840 0.045 0.000 0.759 240 L CB -0.525 41.568 42.059 0.057 0.000 0.903 240 L HN 0.236 nan 8.230 nan 0.000 0.435 241 V N 0.347 120.288 119.914 0.045 0.000 2.307 241 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 241 V C 3.104 179.222 176.094 0.041 0.000 1.045 241 V CA 2.400 64.728 62.300 0.047 0.000 1.024 241 V CB -1.012 30.834 31.823 0.039 0.000 0.651 241 V HN 0.546 nan 8.190 nan 0.000 0.449 242 K N -0.317 120.100 120.400 0.029 0.000 2.097 242 K HA -0.141 4.178 4.320 -0.000 0.000 0.206 242 K C 2.163 178.776 176.600 0.022 0.000 1.049 242 K CA 2.457 58.757 56.287 0.022 0.000 0.933 242 K CB -1.289 31.219 32.500 0.013 0.000 0.717 242 K HN 0.560 nan 8.250 nan 0.000 0.442 243 M N 0.551 120.167 119.600 0.025 0.000 2.460 243 M HA 0.503 4.983 4.480 -0.000 0.000 0.263 243 M C 2.505 178.823 176.300 0.030 0.000 1.071 243 M CA 1.711 57.023 55.300 0.021 0.000 1.096 243 M CB -1.472 31.142 32.600 0.025 0.000 1.408 243 M HN 0.821 nan 8.290 nan 0.000 0.463 244 L N 0.377 121.630 121.223 0.051 0.000 2.801 244 L HA 0.657 4.997 4.340 -0.000 0.000 0.250 244 L C 1.520 178.426 176.870 0.059 0.000 1.222 244 L CA 0.867 55.753 54.840 0.078 0.000 1.054 244 L CB -1.971 40.152 42.059 0.107 0.000 1.330 244 L HN 0.772 nan 8.230 nan 0.000 0.426 245 G N -2.191 106.624 108.800 0.025 0.000 3.581 245 G HA2 0.301 4.261 3.960 -0.000 0.000 0.248 245 G HA3 0.301 4.261 3.960 -0.000 0.000 0.248 245 G C 0.715 175.606 174.900 -0.015 0.000 1.037 245 G CA 0.787 45.895 45.100 0.012 0.000 0.902 245 G HN 0.530 nan 8.290 nan 0.000 0.512 246 S N 1.807 117.489 115.700 -0.031 0.000 2.562 246 S HA 0.291 4.761 4.470 -0.000 0.000 0.281 246 S C -0.143 174.405 174.600 -0.088 0.000 1.333 246 S CA -0.682 57.484 58.200 -0.056 0.000 1.052 246 S CB 1.435 64.596 63.200 -0.064 0.000 0.884 246 S HN 0.126 nan 8.310 nan 0.000 0.506 247 P HA 0.071 nan 4.420 nan 0.000 0.229 247 P C 0.390 177.605 177.300 -0.142 0.000 1.160 247 P CA 0.616 63.658 63.100 -0.096 0.000 0.777 247 P CB -0.386 31.274 31.700 -0.067 0.000 0.814 248 V N 1.466 121.289 119.914 -0.152 0.000 2.427 248 V HA 0.088 4.208 4.120 -0.000 0.000 0.268 248 V C 1.225 177.124 176.094 -0.325 0.000 1.046 248 V CA 0.118 62.301 62.300 -0.195 0.000 0.970 248 V CB -0.113 31.624 31.823 -0.144 0.000 1.001 248 V HN -0.241 nan 8.190 nan 0.000 0.476 249 D N 3.964 124.083 120.400 -0.468 0.000 2.182 249 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 249 D C 2.453 178.115 176.300 -1.065 0.000 0.986 249 D CA 1.861 55.292 54.000 -0.947 0.000 0.847 249 D CB -0.001 40.174 40.800 -1.041 0.000 0.942 249 D HN 0.864 nan 8.370 nan 0.000 0.467 250 S N 0.117 115.499 115.700 -0.531 0.000 2.399 250 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 250 S C 2.189 176.690 174.600 -0.165 0.000 1.022 250 S CA 1.347 59.386 58.200 -0.267 0.000 0.983 250 S CB -0.354 62.766 63.200 -0.134 0.000 0.803 250 S HN 0.095 nan 8.310 nan 0.000 0.480 251 V N 1.296 121.100 119.914 -0.183 0.000 2.346 251 V HA -0.073 4.047 4.120 -0.000 0.000 0.244 251 V C 3.044 179.103 176.094 -0.058 0.000 1.037 251 V CA 1.514 63.760 62.300 -0.090 0.000 1.029 251 V CB -1.131 30.643 31.823 -0.082 0.000 0.663 251 V HN 0.683 nan 8.190 nan 0.000 0.454 252 L N -0.901 120.230 121.223 -0.154 0.000 1.989 252 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 252 L C 2.537 179.529 176.870 0.204 0.000 1.071 252 L CA 2.731 57.541 54.840 -0.049 0.000 0.749 252 L CB -1.888 39.996 42.059 -0.291 0.000 0.890 252 L HN 0.366 nan 8.230 nan 0.000 0.431 253 F N -0.824 119.111 119.950 -0.024 0.000 2.161 253 F HA -0.240 4.287 4.527 -0.000 0.000 0.300 253 F C 2.935 178.789 175.800 0.089 0.000 1.089 253 F CA 1.572 59.614 58.000 0.071 0.000 1.282 253 F CB -0.678 38.327 39.000 0.008 0.000 1.010 253 F HN 0.499 nan 8.300 nan 0.000 0.485 254 Y N -0.083 120.360 120.300 0.239 0.000 2.243 254 Y HA 0.139 4.689 4.550 -0.000 0.000 0.293 254 Y C 2.449 178.433 175.900 0.141 0.000 1.124 254 Y CA 0.993 59.186 58.100 0.155 0.000 1.159 254 Y CB -1.189 37.329 38.460 0.097 0.000 1.008 254 Y HN 0.109 nan 8.280 nan 0.000 0.527 255 A N 0.623 123.527 122.820 0.140 0.000 1.873 255 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 255 A C 2.490 180.167 177.584 0.155 0.000 1.186 255 A CA 2.696 54.809 52.037 0.127 0.000 0.616 255 A CB -1.364 17.701 19.000 0.109 0.000 0.823 255 A HN 1.319 nan 8.150 nan 0.000 0.442 256 I N 0.386 121.088 120.570 0.221 0.000 2.163 256 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 256 I C 2.868 179.073 176.117 0.146 0.000 1.085 256 I CA 3.055 64.475 61.300 0.200 0.000 1.347 256 I CB -2.358 35.833 38.000 0.319 0.000 1.044 256 I HN 0.644 nan 8.210 nan 0.000 0.408 257 T N -2.603 112.044 114.554 0.155 0.000 2.777 257 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 257 T C 1.927 176.717 174.700 0.151 0.000 1.040 257 T CA 2.126 64.307 62.100 0.135 0.000 1.141 257 T CB -1.343 67.594 68.868 0.115 0.000 0.868 257 T HN 0.590 nan 8.240 nan 0.000 0.444 258 T N 2.543 117.174 114.554 0.127 0.000 2.708 258 T HA 0.113 4.463 4.350 -0.000 0.000 0.266 258 T C 1.945 176.703 174.700 0.098 0.000 1.037 258 T CA 1.250 63.413 62.100 0.105 0.000 1.146 258 T CB -0.568 68.355 68.868 0.092 0.000 0.865 258 T HN 0.279 nan 8.240 nan 0.000 0.435 259 L N 0.126 121.412 121.223 0.105 0.000 2.079 259 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 259 L C 2.583 179.500 176.870 0.079 0.000 1.081 259 L CA 1.463 56.356 54.840 0.088 0.000 0.752 259 L CB -0.569 41.544 42.059 0.091 0.000 0.896 259 L HN 0.335 nan 8.230 nan 0.000 0.433 260 H N 0.526 119.594 119.070 -0.002 0.000 2.321 260 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 260 H C 2.180 177.459 175.328 -0.081 0.000 1.087 260 H CA 1.820 57.844 56.048 -0.040 0.000 1.319 260 H CB 0.050 29.791 29.762 -0.034 0.000 1.379 260 H HN 0.234 nan 8.280 nan 0.000 0.501 261 N N 0.274 118.934 118.700 -0.066 0.000 2.069 261 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 261 N C 2.186 177.596 175.510 -0.166 0.000 1.031 261 N CA 1.392 54.366 53.050 -0.126 0.000 0.852 261 N CB -0.330 38.194 38.487 0.062 0.000 1.018 261 N HN 0.372 nan 8.380 nan 0.000 0.423 262 L N 0.978 122.166 121.223 -0.058 0.000 2.012 262 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 262 L C 2.342 179.151 176.870 -0.101 0.000 1.073 262 L CA 0.952 55.774 54.840 -0.030 0.000 0.748 262 L CB -0.523 41.560 42.059 0.041 0.000 0.891 262 L HN 0.108 nan 8.230 nan 0.000 0.431 263 L N -0.745 120.398 121.223 -0.132 0.000 2.201 263 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 263 L C 2.424 179.141 176.870 -0.256 0.000 1.105 263 L CA 0.928 55.678 54.840 -0.149 0.000 0.775 263 L CB -0.324 41.670 42.059 -0.107 0.000 0.913 263 L HN 0.299 nan 8.230 nan 0.000 0.440 264 L N -1.417 119.537 121.223 -0.448 0.000 2.095 264 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 264 L C 2.475 179.012 176.870 -0.555 0.000 1.080 264 L CA 0.822 55.288 54.840 -0.623 0.000 0.759 264 L CB -0.362 41.095 42.059 -1.004 0.000 0.914 264 L HN 0.390 nan 8.230 nan 0.000 0.439 265 H N -2.392 116.607 119.070 -0.118 0.000 2.426 265 H HA 0.113 4.669 4.556 -0.000 0.000 0.286 265 H C 0.664 175.928 175.328 -0.105 0.000 0.990 265 H CA -0.243 55.747 56.048 -0.097 0.000 1.237 265 H CB -0.111 29.605 29.762 -0.077 0.000 1.466 265 H HN 0.065 nan 8.280 nan 0.000 0.525 266 Q N 2.684 122.479 119.800 -0.008 0.000 2.289 266 Q HA 0.247 4.587 4.340 -0.000 0.000 0.273 266 Q C -0.149 175.739 176.000 -0.188 0.000 1.029 266 Q CA 0.218 55.958 55.803 -0.105 0.000 0.896 266 Q CB 0.247 28.930 28.738 -0.092 0.000 1.182 266 Q HN 0.503 nan 8.270 nan 0.000 0.385 267 E N 2.174 122.222 120.200 -0.254 0.000 2.366 267 E HA 0.456 4.806 4.350 -0.000 0.000 0.266 267 E C 1.072 177.431 176.600 -0.402 0.000 1.051 267 E CA -0.131 56.117 56.400 -0.253 0.000 0.884 267 E CB 0.264 29.841 29.700 -0.204 0.000 1.006 267 E HN 1.331 nan 8.360 nan 0.000 0.417 268 G N -0.092 108.579 108.800 -0.214 0.000 2.155 268 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.257 268 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.257 268 G C 1.282 176.203 174.900 0.035 0.000 0.983 268 G CA 1.407 46.442 45.100 -0.109 0.000 0.676 268 G HN 1.781 nan 8.290 nan 0.000 0.528 269 A N -0.154 122.646 122.820 -0.034 0.000 1.930 269 A HA 0.244 4.564 4.320 -0.000 0.000 0.215 269 A C 2.217 179.849 177.584 0.079 0.000 1.176 269 A CA 2.018 54.107 52.037 0.086 0.000 0.632 269 A CB -0.287 18.723 19.000 0.015 0.000 0.819 269 A HN 0.496 nan 8.150 nan 0.000 0.445 270 K N -0.916 119.502 120.400 0.030 0.000 2.026 270 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 270 K C 2.535 179.165 176.600 0.049 0.000 1.048 270 K CA 2.006 58.311 56.287 0.030 0.000 0.929 270 K CB -0.588 31.919 32.500 0.012 0.000 0.713 270 K HN 0.495 nan 8.250 nan 0.000 0.439 271 M N 1.028 120.662 119.600 0.057 0.000 2.202 271 M HA 0.027 4.507 4.480 -0.000 0.000 0.262 271 M C 2.498 178.843 176.300 0.074 0.000 1.063 271 M CA 2.375 57.713 55.300 0.062 0.000 1.097 271 M CB -1.588 31.052 32.600 0.067 0.000 1.382 271 M HN 0.354 nan 8.290 nan 0.000 0.413 272 A N -0.463 122.422 122.820 0.109 0.000 1.872 272 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 272 A C 2.400 180.022 177.584 0.064 0.000 1.187 272 A CA 1.735 53.831 52.037 0.098 0.000 0.614 272 A CB -0.943 18.151 19.000 0.158 0.000 0.826 272 A HN 0.629 nan 8.150 nan 0.000 0.442 273 V N 0.288 120.242 119.914 0.066 0.000 2.343 273 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 273 V C 2.625 178.743 176.094 0.040 0.000 1.051 273 V CA 2.207 64.537 62.300 0.051 0.000 1.036 273 V CB -0.891 30.962 31.823 0.050 0.000 0.654 273 V HN 0.507 nan 8.190 nan 0.000 0.451 274 R N -0.513 120.011 120.500 0.039 0.000 2.081 274 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 274 R C 2.252 178.569 176.300 0.028 0.000 1.131 274 R CA 1.429 57.547 56.100 0.031 0.000 0.960 274 R CB -0.570 29.748 30.300 0.030 0.000 0.856 274 R HN 0.339 nan 8.270 nan 0.000 0.436 275 L N 0.550 121.791 121.223 0.029 0.000 2.131 275 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 275 L C 1.944 178.825 176.870 0.018 0.000 1.092 275 L CA 1.591 56.445 54.840 0.023 0.000 0.759 275 L CB -0.280 41.793 42.059 0.024 0.000 0.903 275 L HN 0.124 nan 8.230 nan 0.000 0.435 276 A N -1.343 121.490 122.820 0.021 0.000 2.251 276 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 276 A C 1.545 179.142 177.584 0.021 0.000 1.187 276 A CA 0.485 52.533 52.037 0.018 0.000 0.823 276 A CB -0.782 18.230 19.000 0.020 0.000 0.846 276 A HN 0.668 nan 8.150 nan 0.000 0.486 277 G N -1.558 107.256 108.800 0.023 0.000 2.182 277 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.248 277 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.248 277 G C 1.089 176.006 174.900 0.028 0.000 1.042 277 G CA 0.509 45.623 45.100 0.023 0.000 0.775 277 G HN 1.179 nan 8.290 nan 0.000 0.501 278 G N -0.043 108.776 108.800 0.032 0.000 2.408 278 G HA2 0.023 3.983 3.960 -0.000 0.000 0.217 278 G HA3 0.023 3.983 3.960 -0.000 0.000 0.217 278 G C 1.841 176.762 174.900 0.034 0.000 1.150 278 G CA 1.205 46.327 45.100 0.037 0.000 0.776 278 G HN 0.621 nan 8.290 nan 0.000 0.542 279 L N -0.150 121.090 121.223 0.029 0.000 1.989 279 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 279 L C 3.193 180.078 176.870 0.026 0.000 1.071 279 L CA 1.591 56.446 54.840 0.025 0.000 0.749 279 L CB -0.489 41.584 42.059 0.022 0.000 0.890 279 L HN 0.196 nan 8.230 nan 0.000 0.431 280 Q N 0.211 120.027 119.800 0.026 0.000 2.084 280 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 280 Q C 2.566 178.587 176.000 0.034 0.000 0.978 280 Q CA 2.376 58.195 55.803 0.027 0.000 0.844 280 Q CB -0.491 28.261 28.738 0.024 0.000 0.898 280 Q HN 0.513 nan 8.270 nan 0.000 0.426 281 K N 0.557 120.980 120.400 0.039 0.000 2.057 281 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 281 K C 1.872 178.509 176.600 0.062 0.000 1.050 281 K CA 1.680 57.997 56.287 0.051 0.000 0.935 281 K CB -0.793 31.738 32.500 0.053 0.000 0.715 281 K HN 0.252 nan 8.250 nan 0.000 0.439 282 M N 0.264 119.894 119.600 0.049 0.000 2.132 282 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 282 M C 2.369 178.686 176.300 0.028 0.000 1.065 282 M CA 1.311 56.632 55.300 0.034 0.000 1.122 282 M CB -0.213 32.392 32.600 0.008 0.000 1.365 282 M HN 0.156 nan 8.290 nan 0.000 0.411 283 V N 0.396 120.327 119.914 0.028 0.000 2.407 283 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 283 V C 2.571 178.693 176.094 0.046 0.000 1.055 283 V CA 1.929 64.246 62.300 0.029 0.000 1.049 283 V CB -1.176 30.663 31.823 0.027 0.000 0.662 283 V HN 0.517 nan 8.190 nan 0.000 0.455 284 A N -0.449 122.403 122.820 0.054 0.000 1.969 284 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 284 A C 2.039 179.678 177.584 0.092 0.000 1.169 284 A CA 1.217 53.291 52.037 0.063 0.000 0.635 284 A CB -0.427 18.606 19.000 0.056 0.000 0.810 284 A HN 0.526 nan 8.150 nan 0.000 0.445 285 L N -0.199 121.096 121.223 0.119 0.000 2.610 285 L HA 0.066 4.406 4.340 -0.000 0.000 0.232 285 L C 1.545 178.540 176.870 0.209 0.000 1.149 285 L CA -0.012 54.955 54.840 0.211 0.000 0.872 285 L CB -0.201 42.049 42.059 0.319 0.000 0.992 285 L HN 0.360 nan 8.230 nan 0.000 0.447 286 L N 0.655 121.945 121.223 0.112 0.000 2.552 286 L HA -0.077 4.263 4.340 -0.000 0.000 0.227 286 L C 1.925 178.871 176.870 0.126 0.000 1.146 286 L CA 0.324 55.216 54.840 0.086 0.000 0.858 286 L CB -0.392 41.697 42.059 0.051 0.000 0.969 286 L HN 0.514 nan 8.230 nan 0.000 0.451 287 N N 0.446 119.226 118.700 0.134 0.000 2.383 287 N HA -0.044 4.696 4.740 -0.000 0.000 0.192 287 N C 0.582 176.186 175.510 0.158 0.000 1.141 287 N CA 0.191 53.321 53.050 0.134 0.000 0.851 287 N CB -0.274 38.272 38.487 0.098 0.000 0.976 287 N HN 0.118 nan 8.380 nan 0.000 0.465 288 K N 0.035 120.552 120.400 0.195 0.000 2.149 288 K HA 0.206 4.526 4.320 -0.000 0.000 0.245 288 K C 0.908 177.635 176.600 0.212 0.000 1.024 288 K CA 0.291 56.699 56.287 0.203 0.000 0.899 288 K CB -0.223 32.460 32.500 0.305 0.000 1.038 288 K HN 0.143 nan 8.250 nan 0.000 0.496 289 T N -0.759 113.907 114.554 0.186 0.000 3.001 289 T HA 0.053 4.403 4.350 -0.000 0.000 0.251 289 T C 0.350 175.122 174.700 0.120 0.000 1.040 289 T CA 0.048 62.279 62.100 0.219 0.000 0.985 289 T CB -0.478 68.510 68.868 0.199 0.000 1.011 289 T HN 0.690 nan 8.240 nan 0.000 0.509 290 N N 1.704 120.470 118.700 0.109 0.000 2.399 290 N HA 0.100 4.840 4.740 -0.000 0.000 0.259 290 N C 1.744 177.212 175.510 -0.069 0.000 1.160 290 N CA -0.180 52.894 53.050 0.040 0.000 0.946 290 N CB 1.222 39.776 38.487 0.112 0.000 1.156 290 N HN 0.180 nan 8.380 nan 0.000 0.489 291 V N 2.085 121.862 119.914 -0.229 0.000 2.392 291 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 291 V C 2.592 178.551 176.094 -0.225 0.000 1.059 291 V CA 2.221 64.321 62.300 -0.334 0.000 1.051 291 V CB -1.385 30.181 31.823 -0.428 0.000 0.658 291 V HN 0.670 nan 8.190 nan 0.000 0.455 292 K N 0.139 120.373 120.400 -0.278 0.000 2.097 292 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 292 K C 1.944 178.461 176.600 -0.138 0.000 1.049 292 K CA 1.753 57.925 56.287 -0.191 0.000 0.933 292 K CB -1.078 31.265 32.500 -0.261 0.000 0.717 292 K HN 0.676 nan 8.250 nan 0.000 0.442 293 F N 1.088 120.862 119.950 -0.292 0.000 2.098 293 F HA 0.089 4.616 4.527 -0.000 0.000 0.294 293 F C 2.009 177.738 175.800 -0.118 0.000 1.107 293 F CA 1.066 58.937 58.000 -0.215 0.000 1.234 293 F CB -0.183 38.759 39.000 -0.097 0.000 1.002 293 F HN 0.059 nan 8.300 nan 0.000 0.472 294 L N 0.224 121.318 121.223 -0.216 0.000 2.079 294 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 294 L C 2.790 179.504 176.870 -0.261 0.000 1.081 294 L CA 1.245 55.910 54.840 -0.291 0.000 0.752 294 L CB -1.369 40.553 42.059 -0.228 0.000 0.896 294 L HN 0.280 nan 8.230 nan 0.000 0.433 295 A N 0.325 123.041 122.820 -0.174 0.000 1.908 295 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 295 A C 2.136 179.599 177.584 -0.202 0.000 1.181 295 A CA 1.554 53.520 52.037 -0.119 0.000 0.627 295 A CB -0.448 18.556 19.000 0.007 0.000 0.818 295 A HN 0.298 nan 8.150 nan 0.000 0.445 296 I N -0.068 120.332 120.570 -0.283 0.000 2.286 296 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 296 I C 2.439 178.340 176.117 -0.360 0.000 1.104 296 I CA 1.799 62.866 61.300 -0.389 0.000 1.397 296 I CB -2.090 35.694 38.000 -0.361 0.000 1.072 296 I HN 0.229 nan 8.210 nan 0.000 0.417 297 T N 1.006 115.305 114.554 -0.425 0.000 2.737 297 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 297 T C 1.978 176.560 174.700 -0.196 0.000 1.038 297 T CA 2.235 64.118 62.100 -0.361 0.000 1.144 297 T CB -0.558 67.972 68.868 -0.565 0.000 0.866 297 T HN 0.549 nan 8.240 nan 0.000 0.434 298 T N 0.695 115.141 114.554 -0.179 0.000 2.746 298 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 298 T C 1.739 176.406 174.700 -0.055 0.000 1.039 298 T CA 1.738 63.783 62.100 -0.092 0.000 1.142 298 T CB -0.681 68.144 68.868 -0.073 0.000 0.866 298 T HN 0.287 nan 8.240 nan 0.000 0.444 299 D N 0.204 120.559 120.400 -0.074 0.000 2.178 299 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 299 D C 2.065 178.395 176.300 0.049 0.000 0.980 299 D CA 0.825 54.819 54.000 -0.010 0.000 0.842 299 D CB -0.564 40.222 40.800 -0.022 0.000 0.948 299 D HN 0.514 nan 8.370 nan 0.000 0.472 300 C N -0.290 119.028 119.300 0.030 0.000 2.429 300 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 300 C C 2.750 177.761 174.990 0.035 0.000 1.262 300 C CA 0.216 59.278 59.018 0.072 0.000 1.733 300 C CB -1.103 26.663 27.740 0.042 0.000 2.010 300 C HN 0.430 nan 8.230 nan 0.000 0.483 301 L N 0.447 121.676 121.223 0.010 0.000 2.046 301 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 301 L C 2.926 179.816 176.870 0.033 0.000 1.077 301 L CA 1.425 56.275 54.840 0.016 0.000 0.747 301 L CB -0.854 41.207 42.059 0.003 0.000 0.896 301 L HN 0.421 nan 8.230 nan 0.000 0.432 302 Q N 0.971 120.793 119.800 0.037 0.000 2.030 302 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 302 Q C 2.237 178.284 176.000 0.079 0.000 0.986 302 Q CA 1.977 57.817 55.803 0.062 0.000 0.843 302 Q CB -0.240 28.531 28.738 0.054 0.000 0.904 302 Q HN 0.553 nan 8.270 nan 0.000 0.420 303 I N 0.650 121.249 120.570 0.049 0.000 2.208 303 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 303 I C 2.388 178.532 176.117 0.044 0.000 1.097 303 I CA 0.929 62.243 61.300 0.023 0.000 1.363 303 I CB -0.286 37.706 38.000 -0.014 0.000 1.051 303 I HN 0.166 nan 8.210 nan 0.000 0.413 304 L N 0.260 121.509 121.223 0.044 0.000 2.179 304 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 304 L C 2.685 179.589 176.870 0.056 0.000 1.096 304 L CA 0.977 55.843 54.840 0.043 0.000 0.779 304 L CB -0.518 41.561 42.059 0.033 0.000 0.922 304 L HN 0.196 nan 8.230 nan 0.000 0.443 305 A N -1.174 121.684 122.820 0.063 0.000 2.021 305 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 305 A C 0.869 178.489 177.584 0.059 0.000 1.163 305 A CA -0.042 52.024 52.037 0.049 0.000 0.676 305 A CB -0.477 18.543 19.000 0.033 0.000 0.818 305 A HN 0.297 nan 8.150 nan 0.000 0.453 306 Y N 1.297 121.589 120.300 -0.015 0.000 2.802 306 Y HA 0.246 4.796 4.550 -0.000 0.000 0.333 306 Y C 1.497 177.384 175.900 -0.022 0.000 1.244 306 Y CA 0.772 58.860 58.100 -0.021 0.000 1.558 306 Y CB -0.002 38.442 38.460 -0.026 0.000 1.233 306 Y HN 0.508 nan 8.280 nan 0.000 0.547 307 G N 4.253 112.825 108.800 -0.380 0.000 2.200 307 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 307 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 307 G C 0.172 175.035 174.900 -0.063 0.000 0.993 307 G CA 0.468 45.445 45.100 -0.206 0.000 0.701 307 G HN 0.761 nan 8.290 nan 0.000 0.524 308 N N 0.205 118.882 118.700 -0.038 0.000 2.626 308 N HA 0.518 5.258 4.740 -0.000 0.000 0.242 308 N C 1.481 176.977 175.510 -0.024 0.000 1.005 308 N CA 0.872 53.915 53.050 -0.012 0.000 0.905 308 N CB 0.789 39.285 38.487 0.016 0.000 1.128 308 N HN 0.524 nan 8.380 nan 0.000 0.512 309 Q N 2.037 121.818 119.800 -0.031 0.000 2.061 309 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 309 Q C 1.624 177.615 176.000 -0.016 0.000 0.984 309 Q CA 2.114 57.900 55.803 -0.029 0.000 0.846 309 Q CB -0.764 27.957 28.738 -0.029 0.000 0.902 309 Q HN 0.838 nan 8.270 nan 0.000 0.421 310 E N -0.259 119.936 120.200 -0.008 0.000 2.118 310 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 310 E C 2.308 178.908 176.600 0.002 0.000 0.992 310 E CA 1.312 57.711 56.400 -0.002 0.000 0.804 310 E CB -0.103 29.598 29.700 0.002 0.000 0.741 310 E HN 0.629 nan 8.360 nan 0.000 0.458 311 S N 0.257 115.959 115.700 0.003 0.000 2.383 311 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 311 S C 1.675 176.278 174.600 0.005 0.000 1.026 311 S CA 1.033 59.238 58.200 0.008 0.000 0.981 311 S CB -0.046 63.163 63.200 0.015 0.000 0.818 311 S HN 0.246 nan 8.310 nan 0.000 0.472 312 K N 0.953 121.351 120.400 -0.003 0.000 2.097 312 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 312 K C 1.909 178.507 176.600 -0.003 0.000 1.050 312 K CA 0.885 57.168 56.287 -0.006 0.000 0.938 312 K CB -0.298 32.191 32.500 -0.019 0.000 0.718 312 K HN 0.325 nan 8.250 nan 0.000 0.442 313 L N 0.727 121.948 121.223 -0.003 0.000 2.109 313 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 313 L C 2.326 179.199 176.870 0.004 0.000 1.086 313 L CA 0.935 55.774 54.840 -0.001 0.000 0.760 313 L CB -0.399 41.659 42.059 -0.002 0.000 0.910 313 L HN 0.156 nan 8.230 nan 0.000 0.437 314 I N 0.004 120.577 120.570 0.006 0.000 2.252 314 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 314 I C 2.434 178.558 176.117 0.011 0.000 1.102 314 I CA 1.418 62.724 61.300 0.009 0.000 1.385 314 I CB -0.152 37.855 38.000 0.012 0.000 1.064 314 I HN 0.165 nan 8.210 nan 0.000 0.414 315 I N 0.292 120.869 120.570 0.011 0.000 2.286 315 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 315 I C 2.517 178.642 176.117 0.012 0.000 1.115 315 I CA 1.125 62.432 61.300 0.013 0.000 1.392 315 I CB -0.241 37.766 38.000 0.012 0.000 1.065 315 I HN 0.261 nan 8.210 nan 0.000 0.418 316 L N 1.323 122.551 121.223 0.009 0.000 2.056 316 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 316 L C 2.536 179.412 176.870 0.010 0.000 1.078 316 L CA 2.072 56.917 54.840 0.008 0.000 0.749 316 L CB -0.788 41.274 42.059 0.005 0.000 0.901 316 L HN 0.154 nan 8.230 nan 0.000 0.433 317 A N -1.492 121.334 122.820 0.009 0.000 2.019 317 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 317 A C 2.161 179.753 177.584 0.013 0.000 1.164 317 A CA 1.728 53.771 52.037 0.010 0.000 0.644 317 A CB -0.704 18.301 19.000 0.009 0.000 0.805 317 A HN 0.536 nan 8.150 nan 0.000 0.449 318 S N -1.283 114.426 115.700 0.015 0.000 2.605 318 S HA 0.380 4.850 4.470 -0.000 0.000 0.217 318 S C 1.225 175.838 174.600 0.021 0.000 0.958 318 S CA 0.558 58.769 58.200 0.019 0.000 0.919 318 S CB -0.017 63.196 63.200 0.021 0.000 0.780 318 S HN 1.587 nan 8.310 nan 0.000 0.507 319 G N 1.341 110.152 108.800 0.018 0.000 2.176 319 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 319 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 319 G C 0.864 175.778 174.900 0.022 0.000 1.024 319 G CA 0.214 45.326 45.100 0.020 0.000 0.755 319 G HN 0.597 nan 8.290 nan 0.000 0.507 320 G N 0.786 109.599 108.800 0.021 0.000 2.514 320 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.217 320 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.217 320 G C 0.176 175.090 174.900 0.023 0.000 1.198 320 G CA 1.803 46.916 45.100 0.022 0.000 0.780 320 G HN 0.541 nan 8.290 nan 0.000 0.565 321 P HA -0.173 nan 4.420 nan 0.000 0.215 321 P C 1.866 179.180 177.300 0.023 0.000 1.163 321 P CA 1.877 64.989 63.100 0.020 0.000 0.894 321 P CB -0.043 31.665 31.700 0.014 0.000 0.791 322 Q N -0.305 119.508 119.800 0.022 0.000 2.096 322 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 322 Q C 2.037 178.057 176.000 0.034 0.000 0.982 322 Q CA 2.232 58.050 55.803 0.024 0.000 0.850 322 Q CB -1.318 27.433 28.738 0.021 0.000 0.901 322 Q HN 0.124 nan 8.270 nan 0.000 0.422 323 A N -0.111 122.733 122.820 0.039 0.000 1.873 323 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 323 A C 2.122 179.743 177.584 0.063 0.000 1.186 323 A CA 1.437 53.506 52.037 0.053 0.000 0.616 323 A CB -0.787 18.243 19.000 0.050 0.000 0.823 323 A HN 0.439 nan 8.150 nan 0.000 0.442 324 L N -0.490 120.763 121.223 0.051 0.000 2.046 324 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 324 L C 2.472 179.381 176.870 0.065 0.000 1.077 324 L CA 0.987 55.860 54.840 0.055 0.000 0.747 324 L CB -0.528 41.555 42.059 0.041 0.000 0.896 324 L HN 0.237 nan 8.230 nan 0.000 0.432 325 V N -0.007 119.936 119.914 0.049 0.000 2.427 325 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 325 V C 2.024 178.147 176.094 0.048 0.000 1.051 325 V CA 1.931 64.255 62.300 0.039 0.000 1.048 325 V CB -0.801 31.034 31.823 0.020 0.000 0.666 325 V HN 0.505 nan 8.190 nan 0.000 0.456 326 N N 0.151 118.886 118.700 0.058 0.000 2.104 326 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 326 N C 1.843 177.414 175.510 0.102 0.000 1.024 326 N CA 1.501 54.587 53.050 0.061 0.000 0.853 326 N CB -0.215 38.312 38.487 0.066 0.000 1.008 326 N HN 0.413 nan 8.380 nan 0.000 0.424 327 I N 0.879 121.551 120.570 0.169 0.000 2.226 327 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 327 I C 2.060 178.341 176.117 0.273 0.000 1.100 327 I CA 0.885 62.368 61.300 0.306 0.000 1.374 327 I CB -0.180 37.965 38.000 0.243 0.000 1.057 327 I HN 0.219 nan 8.210 nan 0.000 0.413 328 M N 0.084 119.795 119.600 0.184 0.000 2.279 328 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 328 M C 2.063 178.449 176.300 0.143 0.000 1.062 328 M CA 1.683 57.105 55.300 0.204 0.000 1.099 328 M CB -1.154 31.497 32.600 0.085 0.000 1.394 328 M HN 0.244 nan 8.290 nan 0.000 0.426 329 R N -1.340 119.197 120.500 0.062 0.000 2.312 329 R HA 0.101 4.441 4.340 -0.000 0.000 0.205 329 R C 1.618 177.919 176.300 0.001 0.000 0.904 329 R CA 0.538 56.644 56.100 0.010 0.000 1.052 329 R CB 0.189 30.476 30.300 -0.021 0.000 1.014 329 R HN 0.297 nan 8.270 nan 0.000 0.503 330 T N -0.687 113.856 114.554 -0.018 0.000 3.087 330 T HA 0.123 4.473 4.350 -0.000 0.000 0.237 330 T C 0.049 174.563 174.700 -0.311 0.000 0.990 330 T CA 0.609 62.570 62.100 -0.233 0.000 1.160 330 T CB 0.031 68.631 68.868 -0.447 0.000 0.923 330 T HN -0.043 nan 8.240 nan 0.000 0.442 331 Y N 1.041 121.397 120.300 0.093 0.000 2.374 331 Y HA 0.412 4.962 4.550 -0.000 0.000 0.322 331 Y C 1.574 177.524 175.900 0.084 0.000 1.275 331 Y CA -0.530 57.624 58.100 0.090 0.000 1.307 331 Y CB 0.780 39.300 38.460 0.101 0.000 1.282 331 Y HN -0.103 nan 8.280 nan 0.000 0.509 332 T N -0.829 113.871 114.554 0.242 0.000 3.004 332 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 332 T C -0.487 174.288 174.700 0.124 0.000 0.986 332 T CA -0.171 61.997 62.100 0.113 0.000 0.902 332 T CB -0.254 68.664 68.868 0.084 0.000 1.118 332 T HN 0.415 nan 8.240 nan 0.000 0.522 333 Y N 4.577 124.909 120.300 0.052 0.000 2.783 333 Y HA 0.074 4.624 4.550 -0.000 0.000 0.359 333 Y C 1.722 177.602 175.900 -0.033 0.000 1.220 333 Y CA -1.278 56.824 58.100 0.002 0.000 1.649 333 Y CB -0.011 38.444 38.460 -0.008 0.000 1.273 333 Y HN 0.082 nan 8.280 nan 0.000 0.506 334 E N 4.767 124.820 120.200 -0.246 0.000 2.136 334 E HA -0.362 3.988 4.350 -0.000 0.000 0.202 334 E C 1.967 178.339 176.600 -0.380 0.000 1.019 334 E CA 2.491 58.722 56.400 -0.283 0.000 0.819 334 E CB 0.138 29.704 29.700 -0.224 0.000 0.739 334 E HN 0.797 nan 8.360 nan 0.000 0.458 335 K N 0.841 120.807 120.400 -0.723 0.000 2.103 335 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 335 K C 2.225 178.619 176.600 -0.344 0.000 1.048 335 K CA 1.552 57.483 56.287 -0.595 0.000 0.930 335 K CB -0.975 31.021 32.500 -0.839 0.000 0.716 335 K HN 0.213 nan 8.250 nan 0.000 0.444 336 L N 0.185 121.239 121.223 -0.283 0.000 2.095 336 L HA 0.149 4.489 4.340 -0.000 0.000 0.204 336 L C 2.365 179.213 176.870 -0.036 0.000 1.080 336 L CA 1.305 56.118 54.840 -0.045 0.000 0.759 336 L CB -0.215 41.900 42.059 0.093 0.000 0.914 336 L HN 0.371 nan 8.230 nan 0.000 0.439 337 L N -1.427 119.771 121.223 -0.042 0.000 2.083 337 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 337 L C 3.077 179.943 176.870 -0.006 0.000 1.083 337 L CA 1.981 56.821 54.840 -0.001 0.000 0.752 337 L CB -1.400 40.610 42.059 -0.081 0.000 0.899 337 L HN 0.587 nan 8.230 nan 0.000 0.433 338 W N 0.931 122.196 121.300 -0.058 0.000 2.378 338 W HA -0.235 4.424 4.660 -0.000 0.000 0.313 338 W C 2.984 179.497 176.519 -0.011 0.000 1.197 338 W CA 1.866 59.189 57.345 -0.037 0.000 1.304 338 W CB -1.647 27.770 29.460 -0.073 0.000 1.148 338 W HN 0.388 nan 8.180 nan 0.000 0.494 339 T N -2.554 111.980 114.554 -0.033 0.000 2.788 339 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 339 T C 1.586 176.287 174.700 0.001 0.000 1.044 339 T CA 2.259 64.347 62.100 -0.020 0.000 1.139 339 T CB -1.355 67.483 68.868 -0.051 0.000 0.867 339 T HN 0.323 nan 8.240 nan 0.000 0.454 340 T N 2.582 117.141 114.554 0.008 0.000 2.777 340 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 340 T C 2.483 177.212 174.700 0.049 0.000 1.040 340 T CA 1.689 63.807 62.100 0.029 0.000 1.141 340 T CB -0.612 68.285 68.868 0.049 0.000 0.868 340 T HN 0.748 nan 8.240 nan 0.000 0.444 341 S N 1.440 117.176 115.700 0.060 0.000 2.423 341 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 341 S C 2.323 176.972 174.600 0.082 0.000 1.014 341 S CA 1.109 59.355 58.200 0.077 0.000 0.965 341 S CB -0.561 62.691 63.200 0.086 0.000 0.785 341 S HN 0.589 nan 8.310 nan 0.000 0.495 342 R N 1.302 121.845 120.500 0.072 0.000 2.090 342 R HA 0.257 4.597 4.340 -0.000 0.000 0.228 342 R C 2.478 178.823 176.300 0.074 0.000 1.110 342 R CA 1.485 57.634 56.100 0.082 0.000 0.973 342 R CB -1.752 28.588 30.300 0.066 0.000 0.869 342 R HN 0.480 nan 8.270 nan 0.000 0.440 343 V N 1.058 121.005 119.914 0.056 0.000 2.379 343 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 343 V C 2.604 178.724 176.094 0.043 0.000 1.044 343 V CA 1.566 63.894 62.300 0.047 0.000 1.036 343 V CB -0.498 31.344 31.823 0.032 0.000 0.664 343 V HN 0.463 nan 8.190 nan 0.000 0.453 344 L N 0.012 121.263 121.223 0.047 0.000 2.079 344 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 344 L C 2.605 179.503 176.870 0.046 0.000 1.081 344 L CA 1.877 56.743 54.840 0.043 0.000 0.752 344 L CB -0.547 41.542 42.059 0.049 0.000 0.896 344 L HN 0.341 nan 8.230 nan 0.000 0.433 345 K N -0.004 120.434 120.400 0.064 0.000 2.057 345 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 345 K C 1.997 178.612 176.600 0.026 0.000 1.050 345 K CA 1.273 57.601 56.287 0.069 0.000 0.935 345 K CB 0.056 32.621 32.500 0.109 0.000 0.715 345 K HN 0.063 nan 8.250 nan 0.000 0.439 346 V N 1.649 121.577 119.914 0.024 0.000 2.343 346 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 346 V C 2.191 178.261 176.094 -0.041 0.000 1.051 346 V CA 1.539 63.825 62.300 -0.024 0.000 1.036 346 V CB -0.302 31.532 31.823 0.018 0.000 0.654 346 V HN 0.329 nan 8.190 nan 0.000 0.451 347 L N 0.657 121.874 121.223 -0.010 0.000 2.240 347 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 347 L C 2.599 179.462 176.870 -0.012 0.000 1.106 347 L CA 1.288 56.121 54.840 -0.012 0.000 0.793 347 L CB -0.635 41.426 42.059 0.003 0.000 0.927 347 L HN 0.522 nan 8.230 nan 0.000 0.446 348 S N -0.054 115.644 115.700 -0.003 0.000 2.469 348 S HA -0.117 4.353 4.470 -0.000 0.000 0.238 348 S C 1.710 176.303 174.600 -0.011 0.000 0.998 348 S CA 1.033 59.235 58.200 0.002 0.000 0.957 348 S CB -0.731 62.482 63.200 0.022 0.000 0.764 348 S HN 0.375 nan 8.310 nan 0.000 0.514 349 V N -1.376 118.518 119.914 -0.032 0.000 3.608 349 V HA 0.312 4.432 4.120 -0.000 0.000 0.269 349 V C 1.202 177.269 176.094 -0.045 0.000 1.245 349 V CA -0.333 61.940 62.300 -0.045 0.000 1.138 349 V CB -1.472 30.305 31.823 -0.077 0.000 0.841 349 V HN 0.655 nan 8.190 nan 0.000 0.451 350 C N 2.682 121.958 119.300 -0.039 0.000 2.593 350 C HA 0.510 4.970 4.460 -0.000 0.000 0.409 350 C C 2.351 177.328 174.990 -0.022 0.000 1.304 350 C CA 0.470 59.468 59.018 -0.034 0.000 2.007 350 C CB 0.667 28.390 27.740 -0.030 0.000 2.614 350 C HN 0.743 nan 8.230 nan 0.000 0.585 351 S N 3.389 119.076 115.700 -0.021 0.000 2.515 351 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 351 S C 1.348 175.942 174.600 -0.011 0.000 0.987 351 S CA 1.230 59.421 58.200 -0.015 0.000 0.936 351 S CB -0.103 63.088 63.200 -0.015 0.000 0.766 351 S HN 0.821 nan 8.310 nan 0.000 0.528 352 S N 1.996 117.690 115.700 -0.011 0.000 2.510 352 S HA 0.184 4.654 4.470 -0.000 0.000 0.230 352 S C 1.546 176.143 174.600 -0.005 0.000 1.066 352 S CA 0.292 58.488 58.200 -0.007 0.000 0.941 352 S CB -0.367 62.829 63.200 -0.006 0.000 0.829 352 S HN 0.563 nan 8.310 nan 0.000 0.530 353 N N 1.854 120.551 118.700 -0.006 0.000 2.244 353 N HA -0.022 4.718 4.740 -0.000 0.000 0.183 353 N C 1.567 177.077 175.510 -0.001 0.000 1.016 353 N CA 0.878 53.927 53.050 -0.003 0.000 0.866 353 N CB -0.079 38.405 38.487 -0.004 0.000 0.980 353 N HN 0.341 nan 8.380 nan 0.000 0.430 354 K N 1.145 121.543 120.400 -0.004 0.000 2.001 354 K HA -0.108 4.212 4.320 -0.000 0.000 0.214 354 K C -0.936 175.664 176.600 -0.000 0.000 1.050 354 K CA 1.557 57.843 56.287 -0.001 0.000 0.934 354 K CB -0.724 31.775 32.500 -0.003 0.000 0.718 354 K HN 0.151 nan 8.250 nan 0.000 0.443 355 P HA -0.098 nan 4.420 nan 0.000 0.221 355 P C 0.852 178.152 177.300 -0.001 0.000 1.150 355 P CA 1.631 64.730 63.100 -0.002 0.000 0.800 355 P CB 0.037 31.736 31.700 -0.003 0.000 0.787 356 A N 0.245 123.066 122.820 0.001 0.000 1.898 356 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 356 A C 2.333 179.919 177.584 0.004 0.000 1.181 356 A CA 1.092 53.130 52.037 0.002 0.000 0.620 356 A CB -1.455 17.547 19.000 0.004 0.000 0.819 356 A HN 0.097 nan 8.150 nan 0.000 0.442 357 I N -0.357 120.216 120.570 0.005 0.000 2.226 357 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 357 I C 2.338 178.456 176.117 0.002 0.000 1.100 357 I CA 1.150 62.454 61.300 0.006 0.000 1.374 357 I CB -0.326 37.679 38.000 0.009 0.000 1.057 357 I HN 0.152 nan 8.210 nan 0.000 0.413 358 V N 0.662 120.576 119.914 -0.000 0.000 2.295 358 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 358 V C 2.533 178.623 176.094 -0.006 0.000 1.049 358 V CA 2.150 64.447 62.300 -0.004 0.000 1.024 358 V CB -0.665 31.155 31.823 -0.005 0.000 0.648 358 V HN 0.417 nan 8.190 nan 0.000 0.447 359 E N 1.244 121.441 120.200 -0.004 0.000 2.118 359 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 359 E C 1.958 178.556 176.600 -0.004 0.000 0.992 359 E CA 1.711 58.108 56.400 -0.004 0.000 0.804 359 E CB -0.517 29.181 29.700 -0.002 0.000 0.741 359 E HN 0.537 nan 8.360 nan 0.000 0.458 360 A N -0.588 122.232 122.820 -0.001 0.000 2.239 360 A HA 0.252 4.572 4.320 -0.000 0.000 0.209 360 A C 1.674 179.256 177.584 -0.004 0.000 1.171 360 A CA 1.077 53.114 52.037 0.001 0.000 0.768 360 A CB -0.808 18.196 19.000 0.006 0.000 0.790 360 A HN 0.603 nan 8.150 nan 0.000 0.478 361 G N -2.306 106.489 108.800 -0.009 0.000 2.142 361 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.225 361 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.225 361 G C 1.082 175.970 174.900 -0.019 0.000 1.015 361 G CA 0.488 45.579 45.100 -0.016 0.000 0.716 361 G HN 1.206 nan 8.290 nan 0.000 0.508 362 G N -0.147 108.645 108.800 -0.013 0.000 2.432 362 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.219 362 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.219 362 G C 1.860 176.748 174.900 -0.021 0.000 1.135 362 G CA 1.642 46.734 45.100 -0.012 0.000 0.767 362 G HN 0.443 nan 8.290 nan 0.000 0.550 363 M N 0.235 119.823 119.600 -0.020 0.000 2.067 363 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 363 M C 2.652 178.930 176.300 -0.037 0.000 1.069 363 M CA 1.351 56.638 55.300 -0.022 0.000 1.117 363 M CB -1.270 31.319 32.600 -0.020 0.000 1.334 363 M HN 0.201 nan 8.290 nan 0.000 0.407 364 Q N 0.320 120.095 119.800 -0.042 0.000 2.079 364 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 364 Q C 2.285 178.235 176.000 -0.083 0.000 0.974 364 Q CA 1.982 57.753 55.803 -0.053 0.000 0.840 364 Q CB -0.771 27.941 28.738 -0.045 0.000 0.898 364 Q HN 0.589 nan 8.270 nan 0.000 0.430 365 A N 0.514 123.283 122.820 -0.086 0.000 1.908 365 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 365 A C 2.035 179.490 177.584 -0.215 0.000 1.181 365 A CA 1.365 53.321 52.037 -0.135 0.000 0.627 365 A CB -0.745 18.206 19.000 -0.082 0.000 0.818 365 A HN 0.352 nan 8.150 nan 0.000 0.445 366 L N -0.985 120.163 121.223 -0.125 0.000 2.156 366 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 366 L C 2.704 179.516 176.870 -0.098 0.000 1.095 366 L CA 0.780 55.561 54.840 -0.098 0.000 0.770 366 L CB -0.602 41.442 42.059 -0.025 0.000 0.914 366 L HN 0.487 nan 8.230 nan 0.000 0.439 367 G N 0.005 108.752 108.800 -0.088 0.000 2.471 367 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 367 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 367 G C 1.594 176.453 174.900 -0.067 0.000 1.125 367 G CA 0.182 45.245 45.100 -0.061 0.000 0.775 367 G HN 0.236 nan 8.290 nan 0.000 0.548 368 L N -0.580 120.560 121.223 -0.138 0.000 2.201 368 L HA 0.003 4.343 4.340 -0.000 0.000 0.212 368 L C 1.975 178.853 176.870 0.014 0.000 1.105 368 L CA 0.874 55.646 54.840 -0.113 0.000 0.775 368 L CB -0.301 41.633 42.059 -0.207 0.000 0.913 368 L HN 0.362 nan 8.230 nan 0.000 0.440 369 H N -1.068 117.998 119.070 -0.006 0.000 2.520 369 H HA 0.156 4.712 4.556 -0.000 0.000 0.284 369 H C 1.797 177.112 175.328 -0.022 0.000 1.037 369 H CA -0.411 55.631 56.048 -0.010 0.000 1.168 369 H CB 0.436 30.196 29.762 -0.004 0.000 1.497 369 H HN 0.239 nan 8.280 nan 0.000 0.547 370 L N 0.688 121.954 121.223 0.073 0.000 2.465 370 L HA -0.057 4.283 4.340 -0.000 0.000 0.224 370 L C 1.667 178.541 176.870 0.008 0.000 1.145 370 L CA 1.129 55.981 54.840 0.020 0.000 0.834 370 L CB -0.060 41.995 42.059 -0.006 0.000 0.944 370 L HN 0.387 nan 8.230 nan 0.000 0.451 371 T N -6.095 108.474 114.554 0.024 0.000 3.085 371 T HA 0.152 4.502 4.350 -0.000 0.000 0.264 371 T C 0.282 174.985 174.700 0.006 0.000 1.019 371 T CA -0.592 61.513 62.100 0.009 0.000 0.910 371 T CB -0.105 68.769 68.868 0.011 0.000 1.059 371 T HN -0.069 nan 8.240 nan 0.000 0.542 372 D N 3.291 123.697 120.400 0.010 0.000 2.389 372 D HA 0.248 4.888 4.640 -0.000 0.000 0.247 372 D C -1.493 174.789 176.300 -0.029 0.000 1.128 372 D CA -2.038 51.952 54.000 -0.017 0.000 0.884 372 D CB 1.430 42.202 40.800 -0.047 0.000 1.194 372 D HN 0.038 nan 8.370 nan 0.000 0.441 373 P HA -0.085 nan 4.420 nan 0.000 0.223 373 P C 0.130 177.406 177.300 -0.041 0.000 1.144 373 P CA 0.749 63.829 63.100 -0.032 0.000 0.783 373 P CB 0.303 31.986 31.700 -0.028 0.000 0.771 374 S N -0.598 115.071 115.700 -0.051 0.000 2.414 374 S HA 0.261 4.731 4.470 -0.000 0.000 0.290 374 S C 1.661 176.228 174.600 -0.055 0.000 1.160 374 S CA 0.165 58.331 58.200 -0.057 0.000 1.069 374 S CB 0.023 63.178 63.200 -0.074 0.000 1.012 374 S HN 0.150 nan 8.310 nan 0.000 0.510 375 Q N 5.576 125.346 119.800 -0.051 0.000 2.061 375 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 375 Q C 2.037 177.994 176.000 -0.072 0.000 0.984 375 Q CA 2.242 58.008 55.803 -0.061 0.000 0.846 375 Q CB -0.980 27.727 28.738 -0.051 0.000 0.902 375 Q HN 1.020 nan 8.270 nan 0.000 0.421 376 R N -0.434 120.037 120.500 -0.047 0.000 2.096 376 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 376 R C 2.239 178.522 176.300 -0.029 0.000 1.127 376 R CA 1.618 57.702 56.100 -0.027 0.000 0.968 376 R CB -0.614 29.684 30.300 -0.002 0.000 0.861 376 R HN 0.420 nan 8.270 nan 0.000 0.440 377 L N 1.091 122.290 121.223 -0.039 0.000 2.044 377 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 377 L C 2.221 179.074 176.870 -0.029 0.000 1.075 377 L CA 1.375 56.199 54.840 -0.027 0.000 0.747 377 L CB -0.339 41.691 42.059 -0.048 0.000 0.903 377 L HN 0.067 nan 8.230 nan 0.000 0.435 378 V N 0.060 119.941 119.914 -0.055 0.000 2.332 378 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 378 V C 3.117 179.120 176.094 -0.151 0.000 1.055 378 V CA 2.343 64.599 62.300 -0.073 0.000 1.038 378 V CB -1.516 30.260 31.823 -0.078 0.000 0.651 378 V HN 0.721 nan 8.190 nan 0.000 0.450 379 Q N -0.230 119.432 119.800 -0.230 0.000 2.084 379 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 379 Q C 1.999 177.735 176.000 -0.440 0.000 0.978 379 Q CA 2.022 57.526 55.803 -0.498 0.000 0.844 379 Q CB -0.903 27.485 28.738 -0.583 0.000 0.898 379 Q HN 0.722 nan 8.270 nan 0.000 0.426 380 N N -0.329 118.319 118.700 -0.087 0.000 2.188 380 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 380 N C 1.912 177.488 175.510 0.109 0.000 1.018 380 N CA 1.437 54.578 53.050 0.152 0.000 0.858 380 N CB -0.446 38.135 38.487 0.156 0.000 0.989 380 N HN 0.653 nan 8.380 nan 0.000 0.426 381 C N 0.655 119.974 119.300 0.030 0.000 2.440 381 C HA 0.055 4.515 4.460 -0.000 0.000 0.278 381 C C 2.809 177.807 174.990 0.013 0.000 1.295 381 C CA 0.117 59.157 59.018 0.036 0.000 1.738 381 C CB -1.106 26.654 27.740 0.033 0.000 1.987 381 C HN 0.397 nan 8.230 nan 0.000 0.492 382 L N -0.856 120.329 121.223 -0.064 0.000 2.056 382 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 382 L C 2.724 179.599 176.870 0.009 0.000 1.078 382 L CA 1.357 56.143 54.840 -0.089 0.000 0.749 382 L CB -0.535 41.392 42.059 -0.220 0.000 0.901 382 L HN 0.481 nan 8.230 nan 0.000 0.433 383 W N 0.417 121.724 121.300 0.012 0.000 2.381 383 W HA -0.124 4.536 4.660 -0.000 0.000 0.301 383 W C 2.663 179.187 176.519 0.008 0.000 1.205 383 W CA 1.447 58.798 57.345 0.011 0.000 1.285 383 W CB -1.287 28.182 29.460 0.014 0.000 1.133 383 W HN 0.172 nan 8.180 nan 0.000 0.521 384 T N 1.261 115.960 114.554 0.241 0.000 2.737 384 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 384 T C 2.138 176.893 174.700 0.091 0.000 1.038 384 T CA 1.319 63.501 62.100 0.138 0.000 1.144 384 T CB -0.701 68.231 68.868 0.107 0.000 0.866 384 T HN -0.002 nan 8.240 nan 0.000 0.434 385 L N 0.468 121.735 121.223 0.074 0.000 2.042 385 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 385 L C 2.888 179.789 176.870 0.050 0.000 1.076 385 L CA 1.453 56.319 54.840 0.044 0.000 0.749 385 L CB -0.434 41.638 42.059 0.022 0.000 0.893 385 L HN 0.168 nan 8.230 nan 0.000 0.432 386 R N 0.017 120.562 120.500 0.076 0.000 2.081 386 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 386 R C 2.143 178.484 176.300 0.068 0.000 1.131 386 R CA 1.512 57.659 56.100 0.078 0.000 0.960 386 R CB -0.063 30.307 30.300 0.117 0.000 0.856 386 R HN 0.384 nan 8.270 nan 0.000 0.436 387 N N 0.625 119.369 118.700 0.074 0.000 2.120 387 N HA -0.150 4.589 4.740 -0.000 0.000 0.188 387 N C 1.761 177.288 175.510 0.030 0.000 1.024 387 N CA 1.239 54.316 53.050 0.045 0.000 0.852 387 N CB -0.137 38.373 38.487 0.039 0.000 1.003 387 N HN 0.277 nan 8.380 nan 0.000 0.424 388 L N 0.860 122.102 121.223 0.031 0.000 2.240 388 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 388 L C 2.342 179.221 176.870 0.015 0.000 1.106 388 L CA 0.576 55.428 54.840 0.019 0.000 0.793 388 L CB -0.547 41.523 42.059 0.018 0.000 0.927 388 L HN 0.158 nan 8.230 nan 0.000 0.446 389 S N 0.653 116.366 115.700 0.021 0.000 2.413 389 S HA -0.277 4.193 4.470 -0.000 0.000 0.237 389 S C 1.571 176.179 174.600 0.013 0.000 1.044 389 S CA 1.738 59.949 58.200 0.018 0.000 1.024 389 S CB -0.715 62.501 63.200 0.027 0.000 0.829 389 S HN 0.673 nan 8.310 nan 0.000 0.475 390 D N 1.481 121.890 120.400 0.016 0.000 2.363 390 D HA 0.209 4.849 4.640 -0.000 0.000 0.226 390 D C 1.160 177.462 176.300 0.003 0.000 1.020 390 D CA 0.790 54.796 54.000 0.011 0.000 0.892 390 D CB -0.199 40.610 40.800 0.016 0.000 0.900 390 D HN 0.640 nan 8.370 nan 0.000 0.531 391 A N -0.426 122.394 122.820 0.001 0.000 2.538 391 A HA 0.654 4.974 4.320 -0.000 0.000 0.269 391 A C 1.438 179.018 177.584 -0.008 0.000 1.231 391 A CA 0.161 52.196 52.037 -0.004 0.000 0.948 391 A CB 0.496 19.495 19.000 -0.002 0.000 1.110 391 A HN 0.241 nan 8.150 nan 0.000 0.529 392 A N -0.203 122.611 122.820 -0.010 0.000 2.564 392 A HA 0.319 4.639 4.320 -0.000 0.000 0.279 392 A C 1.564 179.132 177.584 -0.026 0.000 1.232 392 A CA 0.918 52.946 52.037 -0.016 0.000 0.950 392 A CB -0.871 18.122 19.000 -0.013 0.000 1.138 392 A HN 0.563 nan 8.150 nan 0.000 0.526 393 T N -2.908 111.630 114.554 -0.028 0.000 3.155 393 T HA 0.034 4.384 4.350 -0.000 0.000 0.264 393 T C 1.089 175.758 174.700 -0.053 0.000 1.160 393 T CA 1.288 63.363 62.100 -0.042 0.000 1.075 393 T CB -0.194 68.649 68.868 -0.042 0.000 0.921 393 T HN 0.177 nan 8.240 nan 0.000 0.533 394 K N -0.120 120.253 120.400 -0.044 0.000 2.402 394 K HA 0.327 4.647 4.320 -0.000 0.000 0.204 394 K C 0.631 177.202 176.600 -0.049 0.000 1.056 394 K CA -0.146 56.112 56.287 -0.048 0.000 1.069 394 K CB 0.470 32.951 32.500 -0.032 0.000 0.888 394 K HN 0.239 nan 8.250 nan 0.000 0.546 395 Q N 1.454 121.227 119.800 -0.045 0.000 2.392 395 Q HA 0.048 4.388 4.340 -0.000 0.000 0.262 395 Q C -0.018 175.951 176.000 -0.052 0.000 1.003 395 Q CA 0.692 56.470 55.803 -0.041 0.000 0.888 395 Q CB 0.773 29.490 28.738 -0.034 0.000 1.260 395 Q HN 0.152 nan 8.270 nan 0.000 0.435 396 E N -0.549 119.624 120.200 -0.044 0.000 2.259 396 E HA 0.421 4.771 4.350 -0.000 0.000 0.257 396 E C 0.144 176.720 176.600 -0.039 0.000 0.998 396 E CA -0.505 55.866 56.400 -0.048 0.000 0.866 396 E CB 0.907 30.584 29.700 -0.039 0.000 1.220 396 E HN 0.766 nan 8.360 nan 0.000 0.415 397 G N 1.274 110.052 108.800 -0.037 0.000 2.323 397 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.292 397 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.292 397 G C 0.512 175.392 174.900 -0.033 0.000 1.040 397 G CA 0.486 45.567 45.100 -0.031 0.000 0.942 397 G HN 0.222 nan 8.290 nan 0.000 0.506 398 M N -0.698 118.879 119.600 -0.038 0.000 2.371 398 M HA 0.203 4.683 4.480 -0.000 0.000 0.246 398 M C 2.262 178.543 176.300 -0.033 0.000 1.103 398 M CA 1.044 56.322 55.300 -0.037 0.000 1.010 398 M CB -0.842 31.732 32.600 -0.043 0.000 1.457 398 M HN 0.614 nan 8.290 nan 0.000 0.486 399 E N 1.493 121.675 120.200 -0.030 0.000 2.086 399 E HA -0.147 4.203 4.350 -0.000 0.000 0.200 399 E C 2.152 178.740 176.600 -0.021 0.000 1.012 399 E CA 2.022 58.408 56.400 -0.024 0.000 0.812 399 E CB -1.529 28.160 29.700 -0.019 0.000 0.743 399 E HN 0.607 nan 8.360 nan 0.000 0.453 400 G N -0.082 108.705 108.800 -0.021 0.000 2.418 400 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 400 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 400 G C 1.765 176.652 174.900 -0.022 0.000 1.158 400 G CA 1.213 46.301 45.100 -0.020 0.000 0.771 400 G HN 0.491 nan 8.290 nan 0.000 0.545 401 L N 0.531 121.738 121.223 -0.026 0.000 2.017 401 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 401 L C 2.734 179.591 176.870 -0.022 0.000 1.073 401 L CA 1.391 56.216 54.840 -0.025 0.000 0.745 401 L CB -0.558 41.484 42.059 -0.028 0.000 0.894 401 L HN 0.212 nan 8.230 nan 0.000 0.432 402 L N -0.745 120.465 121.223 -0.022 0.000 2.083 402 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 402 L C 2.490 179.351 176.870 -0.016 0.000 1.083 402 L CA 1.272 56.100 54.840 -0.019 0.000 0.752 402 L CB -1.348 40.697 42.059 -0.023 0.000 0.899 402 L HN 0.472 nan 8.230 nan 0.000 0.433 403 G N -0.933 107.858 108.800 -0.015 0.000 2.402 403 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 403 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 403 G C 1.582 176.474 174.900 -0.013 0.000 1.162 403 G CA 1.158 46.250 45.100 -0.012 0.000 0.777 403 G HN 0.287 nan 8.290 nan 0.000 0.539 404 T N 1.536 116.081 114.554 -0.015 0.000 2.737 404 T HA -0.021 4.329 4.350 -0.000 0.000 0.265 404 T C 2.440 177.129 174.700 -0.018 0.000 1.038 404 T CA 0.861 62.952 62.100 -0.016 0.000 1.144 404 T CB -0.222 68.636 68.868 -0.016 0.000 0.866 404 T HN 0.141 nan 8.240 nan 0.000 0.434 405 L N 0.776 121.987 121.223 -0.019 0.000 2.046 405 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 405 L C 2.690 179.548 176.870 -0.018 0.000 1.077 405 L CA 0.904 55.732 54.840 -0.020 0.000 0.747 405 L CB -0.782 41.267 42.059 -0.016 0.000 0.896 405 L HN 0.138 nan 8.230 nan 0.000 0.432 406 V N -0.428 119.477 119.914 -0.016 0.000 2.343 406 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 406 V C 2.483 178.566 176.094 -0.019 0.000 1.051 406 V CA 1.759 64.049 62.300 -0.017 0.000 1.036 406 V CB -0.549 31.265 31.823 -0.015 0.000 0.654 406 V HN 0.510 nan 8.190 nan 0.000 0.451 407 Q N -0.450 119.339 119.800 -0.018 0.000 2.084 407 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 407 Q C 2.255 178.242 176.000 -0.021 0.000 0.978 407 Q CA 1.415 57.207 55.803 -0.018 0.000 0.844 407 Q CB -0.256 28.472 28.738 -0.015 0.000 0.898 407 Q HN 0.545 nan 8.270 nan 0.000 0.426 408 L N 0.585 121.794 121.223 -0.023 0.000 2.353 408 L HA -0.169 4.171 4.340 -0.000 0.000 0.220 408 L C 2.089 178.943 176.870 -0.027 0.000 1.133 408 L CA 0.543 55.365 54.840 -0.029 0.000 0.798 408 L CB -0.397 41.641 42.059 -0.036 0.000 0.922 408 L HN 0.283 nan 8.230 nan 0.000 0.445 409 L N -0.251 120.959 121.223 -0.023 0.000 2.191 409 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 409 L C 2.017 178.876 176.870 -0.018 0.000 1.103 409 L CA 0.972 55.800 54.840 -0.020 0.000 0.769 409 L CB -0.629 41.419 42.059 -0.019 0.000 0.908 409 L HN 0.303 nan 8.230 nan 0.000 0.438 410 G N -1.003 107.785 108.800 -0.019 0.000 3.440 410 G HA2 0.066 4.026 3.960 -0.000 0.000 0.263 410 G HA3 0.066 4.026 3.960 -0.000 0.000 0.263 410 G C 0.336 175.226 174.900 -0.017 0.000 1.236 410 G CA -0.062 45.028 45.100 -0.017 0.000 0.927 410 G HN 0.163 nan 8.290 nan 0.000 0.530 411 S N -0.698 114.990 115.700 -0.020 0.000 2.646 411 S HA 0.260 4.730 4.470 -0.000 0.000 0.276 411 S C 0.825 175.414 174.600 -0.019 0.000 1.222 411 S CA -0.623 57.563 58.200 -0.022 0.000 1.014 411 S CB 1.255 64.436 63.200 -0.032 0.000 0.991 411 S HN 0.175 nan 8.310 nan 0.000 0.533 412 D N 0.874 121.264 120.400 -0.018 0.000 2.289 412 D HA 0.022 4.662 4.640 -0.000 0.000 0.207 412 D C -0.059 176.232 176.300 -0.015 0.000 0.966 412 D CA 0.522 54.514 54.000 -0.014 0.000 0.868 412 D CB -0.076 40.717 40.800 -0.012 0.000 0.943 412 D HN 0.565 nan 8.370 nan 0.000 0.514 413 D N 1.325 121.710 120.400 -0.024 0.000 2.338 413 D HA -0.011 4.629 4.640 -0.000 0.000 0.255 413 D C 1.377 177.660 176.300 -0.027 0.000 1.237 413 D CA -0.154 53.828 54.000 -0.030 0.000 0.883 413 D CB 0.867 41.637 40.800 -0.050 0.000 1.087 413 D HN 0.058 nan 8.370 nan 0.000 0.485 414 I N 4.477 125.040 120.570 -0.013 0.000 2.264 414 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 414 I C 1.571 177.686 176.117 -0.004 0.000 1.111 414 I CA 0.880 62.179 61.300 -0.002 0.000 1.382 414 I CB 0.141 38.149 38.000 0.013 0.000 1.060 414 I HN 0.365 nan 8.210 nan 0.000 0.418 415 N N 0.300 118.992 118.700 -0.014 0.000 2.244 415 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 415 N C 1.848 177.299 175.510 -0.099 0.000 1.016 415 N CA 1.424 54.457 53.050 -0.028 0.000 0.866 415 N CB -0.109 38.351 38.487 -0.044 0.000 0.980 415 N HN 0.288 nan 8.380 nan 0.000 0.430 416 V N 1.101 120.950 119.914 -0.108 0.000 2.307 416 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 416 V C 2.509 178.561 176.094 -0.070 0.000 1.045 416 V CA 1.084 63.314 62.300 -0.117 0.000 1.024 416 V CB -0.412 31.353 31.823 -0.097 0.000 0.651 416 V HN 0.026 nan 8.190 nan 0.000 0.449 417 V N -0.099 119.789 119.914 -0.042 0.000 2.295 417 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 417 V C 2.593 178.680 176.094 -0.011 0.000 1.049 417 V CA 2.693 64.980 62.300 -0.023 0.000 1.024 417 V CB -1.101 30.714 31.823 -0.013 0.000 0.648 417 V HN 0.611 nan 8.190 nan 0.000 0.447 418 T N -0.971 113.583 114.554 -0.000 0.000 2.665 418 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 418 T C 1.957 176.672 174.700 0.025 0.000 1.035 418 T CA 2.079 64.193 62.100 0.023 0.000 1.151 418 T CB -0.562 68.335 68.868 0.049 0.000 0.862 418 T HN 0.538 nan 8.240 nan 0.000 0.438 419 C N 1.440 120.743 119.300 0.004 0.000 2.429 419 C HA 0.108 4.568 4.460 -0.000 0.000 0.277 419 C C 3.246 178.234 174.990 -0.003 0.000 1.262 419 C CA 0.291 59.312 59.018 0.004 0.000 1.733 419 C CB -1.456 26.241 27.740 -0.071 0.000 2.010 419 C HN 0.671 nan 8.230 nan 0.000 0.483 420 A N 0.589 123.396 122.820 -0.022 0.000 1.908 420 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 420 A C 2.361 179.944 177.584 -0.003 0.000 1.181 420 A CA 2.235 54.262 52.037 -0.017 0.000 0.627 420 A CB -0.942 18.043 19.000 -0.025 0.000 0.818 420 A HN 0.587 nan 8.150 nan 0.000 0.445 421 A N -0.582 122.239 122.820 0.001 0.000 1.902 421 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 421 A C 2.422 180.014 177.584 0.014 0.000 1.181 421 A CA 1.953 53.993 52.037 0.004 0.000 0.623 421 A CB -1.379 17.623 19.000 0.005 0.000 0.818 421 A HN 0.737 nan 8.150 nan 0.000 0.443 422 G N -0.018 108.797 108.800 0.025 0.000 2.418 422 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 422 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 422 G C 1.522 176.446 174.900 0.040 0.000 1.158 422 G CA 1.116 46.238 45.100 0.037 0.000 0.771 422 G HN 0.482 nan 8.290 nan 0.000 0.545 423 I N 0.308 120.897 120.570 0.032 0.000 2.202 423 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 423 I C 2.674 178.808 176.117 0.027 0.000 1.091 423 I CA 0.639 61.956 61.300 0.028 0.000 1.368 423 I CB -0.223 37.787 38.000 0.017 0.000 1.058 423 I HN 0.104 nan 8.210 nan 0.000 0.410 424 L N -0.195 121.040 121.223 0.021 0.000 2.131 424 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 424 L C 2.743 179.644 176.870 0.052 0.000 1.092 424 L CA 1.204 56.057 54.840 0.023 0.000 0.759 424 L CB -0.521 41.544 42.059 0.009 0.000 0.903 424 L HN 0.252 nan 8.230 nan 0.000 0.435 425 S N 0.089 115.821 115.700 0.054 0.000 2.356 425 S HA -0.167 4.303 4.470 -0.000 0.000 0.223 425 S C 1.845 176.566 174.600 0.202 0.000 1.032 425 S CA 1.607 59.861 58.200 0.090 0.000 1.005 425 S CB -0.127 63.090 63.200 0.028 0.000 0.867 425 S HN 0.433 nan 8.310 nan 0.000 0.449 426 N N 1.303 120.073 118.700 0.116 0.000 2.171 426 N HA 0.096 4.836 4.740 -0.000 0.000 0.184 426 N C 1.727 177.265 175.510 0.046 0.000 1.021 426 N CA 0.917 54.019 53.050 0.087 0.000 0.854 426 N CB -0.558 37.961 38.487 0.054 0.000 0.994 426 N HN 0.394 nan 8.380 nan 0.000 0.426 427 L N 0.596 121.841 121.223 0.036 0.000 2.201 427 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 427 L C 1.851 178.715 176.870 -0.010 0.000 1.105 427 L CA 1.353 56.194 54.840 0.003 0.000 0.775 427 L CB -0.757 41.299 42.059 -0.005 0.000 0.913 427 L HN 0.306 nan 8.230 nan 0.000 0.440 428 T N -4.363 110.212 114.554 0.035 0.000 3.129 428 T HA -0.027 4.323 4.350 -0.000 0.000 0.251 428 T C 0.841 175.503 174.700 -0.064 0.000 1.117 428 T CA -0.358 61.754 62.100 0.020 0.000 1.034 428 T CB -0.748 68.179 68.868 0.099 0.000 0.968 428 T HN 0.239 nan 8.240 nan 0.000 0.526 429 C N 3.511 122.728 119.300 -0.137 0.000 2.610 429 C HA 0.272 4.732 4.460 -0.000 0.000 0.382 429 C C 0.826 175.688 174.990 -0.212 0.000 1.287 429 C CA -0.467 58.321 59.018 -0.383 0.000 1.640 429 C CB -2.217 25.365 27.740 -0.263 0.000 2.335 429 C HN 0.724 nan 8.230 nan 0.000 0.577 430 N N 3.227 121.807 118.700 -0.200 0.000 2.708 430 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 430 N C -0.621 174.863 175.510 -0.042 0.000 1.097 430 N CA 1.181 54.183 53.050 -0.079 0.000 0.710 430 N CB -1.202 37.250 38.487 -0.059 0.000 1.032 430 N HN 0.901 nan 8.380 nan 0.000 0.551 431 N N 0.468 119.126 118.700 -0.070 0.000 2.746 431 N HA 0.072 4.812 4.740 -0.000 0.000 0.250 431 N C 1.093 176.521 175.510 -0.138 0.000 1.146 431 N CA -0.493 52.486 53.050 -0.119 0.000 0.828 431 N CB 0.265 38.670 38.487 -0.137 0.000 1.158 431 N HN 0.228 nan 8.380 nan 0.000 0.519 432 Y N 2.437 122.705 120.300 -0.053 0.000 2.193 432 Y HA -0.135 4.415 4.550 -0.000 0.000 0.285 432 Y C 2.122 177.984 175.900 -0.063 0.000 1.166 432 Y CA 2.074 60.142 58.100 -0.053 0.000 1.181 432 Y CB -0.741 37.737 38.460 0.029 0.000 0.976 432 Y HN 0.319 nan 8.280 nan 0.000 0.520 433 K N 1.323 121.363 120.400 -0.599 0.000 2.057 433 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 433 K C 1.778 178.275 176.600 -0.173 0.000 1.050 433 K CA 1.693 57.773 56.287 -0.346 0.000 0.935 433 K CB -1.485 30.742 32.500 -0.455 0.000 0.715 433 K HN 0.772 nan 8.250 nan 0.000 0.439 434 N N -0.195 118.394 118.700 -0.186 0.000 2.188 434 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 434 N C 2.014 177.457 175.510 -0.112 0.000 1.018 434 N CA 1.162 54.141 53.050 -0.119 0.000 0.858 434 N CB -0.012 38.413 38.487 -0.103 0.000 0.989 434 N HN 0.451 nan 8.380 nan 0.000 0.426 435 K N 0.782 121.078 120.400 -0.173 0.000 2.026 435 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 435 K C 2.039 178.506 176.600 -0.221 0.000 1.048 435 K CA 1.191 57.304 56.287 -0.289 0.000 0.929 435 K CB -0.092 32.016 32.500 -0.654 0.000 0.713 435 K HN 0.205 nan 8.250 nan 0.000 0.439 436 M N -0.016 119.517 119.600 -0.112 0.000 2.117 436 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 436 M C 2.416 178.738 176.300 0.037 0.000 1.065 436 M CA 1.338 56.675 55.300 0.062 0.000 1.114 436 M CB -0.246 32.436 32.600 0.136 0.000 1.361 436 M HN 0.149 nan 8.290 nan 0.000 0.408 437 M N 0.508 120.107 119.600 -0.001 0.000 2.086 437 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 437 M C 1.871 178.171 176.300 0.000 0.000 1.067 437 M CA 1.794 57.092 55.300 -0.002 0.000 1.116 437 M CB -0.578 32.010 32.600 -0.021 0.000 1.348 437 M HN 0.034 nan 8.290 nan 0.000 0.407 438 V N -0.688 119.218 119.914 -0.012 0.000 2.287 438 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 438 V C 2.534 178.637 176.094 0.015 0.000 1.053 438 V CA 2.034 64.331 62.300 -0.005 0.000 1.027 438 V CB -1.204 30.612 31.823 -0.012 0.000 0.646 438 V HN 0.662 nan 8.190 nan 0.000 0.447 439 C N -0.511 118.811 119.300 0.036 0.000 2.429 439 C HA -0.196 4.264 4.460 -0.000 0.000 0.277 439 C C 2.848 177.872 174.990 0.056 0.000 1.262 439 C CA 1.073 60.132 59.018 0.069 0.000 1.733 439 C CB -1.125 26.699 27.740 0.139 0.000 2.010 439 C HN 0.606 nan 8.230 nan 0.000 0.483 440 Q N 0.291 120.120 119.800 0.049 0.000 2.291 440 Q HA -0.098 4.242 4.340 -0.000 0.000 0.206 440 Q C 1.649 177.665 176.000 0.026 0.000 0.976 440 Q CA 1.438 57.264 55.803 0.039 0.000 0.875 440 Q CB -0.077 28.683 28.738 0.036 0.000 0.927 440 Q HN 0.767 nan 8.270 nan 0.000 0.450 441 V N -3.792 116.133 119.914 0.017 0.000 3.170 441 V HA 0.503 4.623 4.120 -0.000 0.000 0.354 441 V C 0.802 176.897 176.094 0.001 0.000 1.350 441 V CA 0.249 62.554 62.300 0.008 0.000 1.244 441 V CB -0.293 31.530 31.823 0.001 0.000 1.222 441 V HN 0.309 nan 8.190 nan 0.000 0.478 442 G N 0.039 108.842 108.800 0.006 0.000 2.160 442 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 442 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 442 G C 0.938 175.820 174.900 -0.031 0.000 1.022 442 G CA 0.319 45.411 45.100 -0.014 0.000 0.741 442 G HN 1.149 nan 8.290 nan 0.000 0.508 443 G N 0.285 109.081 108.800 -0.007 0.000 2.440 443 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 443 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 443 G C 1.739 176.631 174.900 -0.013 0.000 1.154 443 G CA 1.418 46.513 45.100 -0.009 0.000 0.767 443 G HN 0.490 nan 8.290 nan 0.000 0.552 444 I N 1.052 121.625 120.570 0.005 0.000 2.142 444 I HA -0.144 4.026 4.170 -0.000 0.000 0.240 444 I C 2.518 178.608 176.117 -0.044 0.000 1.078 444 I CA 1.519 62.829 61.300 0.017 0.000 1.343 444 I CB -1.170 36.877 38.000 0.077 0.000 1.046 444 I HN 0.385 nan 8.210 nan 0.000 0.405 445 E N 1.064 121.160 120.200 -0.173 0.000 2.051 445 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 445 E C 2.297 178.792 176.600 -0.176 0.000 0.991 445 E CA 1.514 57.684 56.400 -0.382 0.000 0.799 445 E CB 0.031 29.287 29.700 -0.741 0.000 0.748 445 E HN 0.414 nan 8.360 nan 0.000 0.449 446 A N 1.007 123.756 122.820 -0.118 0.000 1.940 446 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 446 A C 2.206 179.766 177.584 -0.040 0.000 1.176 446 A CA 1.334 53.331 52.037 -0.065 0.000 0.631 446 A CB -0.636 18.336 19.000 -0.047 0.000 0.814 446 A HN 0.325 nan 8.150 nan 0.000 0.446 447 L N -0.863 120.341 121.223 -0.032 0.000 2.072 447 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 447 L C 2.486 179.354 176.870 -0.005 0.000 1.079 447 L CA 0.783 55.614 54.840 -0.014 0.000 0.752 447 L CB -0.443 41.611 42.059 -0.008 0.000 0.906 447 L HN 0.235 nan 8.230 nan 0.000 0.436 448 V N -0.061 119.851 119.914 -0.004 0.000 2.407 448 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 448 V C 2.566 178.674 176.094 0.024 0.000 1.055 448 V CA 1.674 63.986 62.300 0.021 0.000 1.049 448 V CB -0.614 31.234 31.823 0.042 0.000 0.662 448 V HN 0.407 nan 8.190 nan 0.000 0.455 449 R N -0.428 120.076 120.500 0.005 0.000 2.115 449 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 449 R C 2.389 178.694 176.300 0.009 0.000 1.111 449 R CA 1.754 57.861 56.100 0.011 0.000 0.976 449 R CB -0.610 29.686 30.300 -0.006 0.000 0.870 449 R HN 0.458 nan 8.270 nan 0.000 0.445 450 T N 0.518 115.074 114.554 0.002 0.000 2.821 450 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 450 T C 1.932 176.638 174.700 0.010 0.000 1.046 450 T CA 1.157 63.259 62.100 0.003 0.000 1.139 450 T CB -0.049 68.818 68.868 -0.002 0.000 0.871 450 T HN -0.007 nan 8.240 nan 0.000 0.454 451 V N 1.554 121.476 119.914 0.014 0.000 2.407 451 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 451 V C 2.433 178.542 176.094 0.024 0.000 1.055 451 V CA 1.386 63.698 62.300 0.020 0.000 1.049 451 V CB -0.665 31.173 31.823 0.024 0.000 0.662 451 V HN 0.441 nan 8.190 nan 0.000 0.455 452 L N -0.522 120.717 121.223 0.027 0.000 2.027 452 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 452 L C 2.771 179.653 176.870 0.020 0.000 1.074 452 L CA 1.707 56.563 54.840 0.028 0.000 0.745 452 L CB -0.583 41.497 42.059 0.035 0.000 0.898 452 L HN 0.206 nan 8.230 nan 0.000 0.433 453 R N -0.092 120.418 120.500 0.016 0.000 2.115 453 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 453 R C 2.407 178.715 176.300 0.012 0.000 1.111 453 R CA 1.065 57.172 56.100 0.012 0.000 0.976 453 R CB -0.420 29.885 30.300 0.008 0.000 0.870 453 R HN 0.345 nan 8.270 nan 0.000 0.445 454 A N 0.766 123.595 122.820 0.015 0.000 1.898 454 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 454 A C 1.588 179.183 177.584 0.018 0.000 1.181 454 A CA 1.564 53.611 52.037 0.017 0.000 0.620 454 A CB -0.809 18.202 19.000 0.019 0.000 0.819 454 A HN 0.475 nan 8.150 nan 0.000 0.442 455 G N 0.086 108.897 108.800 0.018 0.000 2.543 455 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.286 455 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.286 455 G C 0.358 175.269 174.900 0.019 0.000 1.153 455 G CA 1.156 46.267 45.100 0.017 0.000 0.968 455 G HN 0.994 nan 8.290 nan 0.000 0.544 456 D N 0.795 121.206 120.400 0.019 0.000 2.340 456 D HA 0.177 4.817 4.640 -0.000 0.000 0.220 456 D C 1.316 177.637 176.300 0.036 0.000 1.039 456 D CA 0.170 54.183 54.000 0.022 0.000 0.866 456 D CB -0.117 40.693 40.800 0.016 0.000 0.913 456 D HN 0.587 nan 8.370 nan 0.000 0.523 457 R N 1.406 121.926 120.500 0.034 0.000 2.605 457 R HA 0.090 4.430 4.340 -0.000 0.000 0.271 457 R C 0.295 176.621 176.300 0.043 0.000 1.418 457 R CA 0.062 56.185 56.100 0.039 0.000 1.102 457 R CB -0.019 30.300 30.300 0.032 0.000 1.131 457 R HN 0.366 nan 8.270 nan 0.000 0.554 458 E N 0.968 121.202 120.200 0.058 0.000 2.401 458 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 458 E C 0.326 176.957 176.600 0.051 0.000 1.023 458 E CA 0.755 57.193 56.400 0.063 0.000 0.859 458 E CB 0.193 29.954 29.700 0.101 0.000 0.780 458 E HN 0.498 nan 8.360 nan 0.000 0.523 459 D N 0.025 120.452 120.400 0.045 0.000 2.317 459 D HA -0.006 4.634 4.640 -0.000 0.000 0.211 459 D C 1.603 177.927 176.300 0.041 0.000 0.966 459 D CA 0.671 54.697 54.000 0.043 0.000 0.876 459 D CB 0.227 41.054 40.800 0.045 0.000 0.927 459 D HN 0.238 nan 8.370 nan 0.000 0.519 460 I N 0.007 120.599 120.570 0.036 0.000 3.039 460 I HA -0.098 4.072 4.170 -0.000 0.000 0.270 460 I C 2.245 178.376 176.117 0.023 0.000 1.150 460 I CA 0.833 62.150 61.300 0.028 0.000 1.448 460 I CB -0.148 37.866 38.000 0.024 0.000 1.197 460 I HN -0.012 nan 8.210 nan 0.000 0.450 461 T N -1.573 112.997 114.554 0.027 0.000 2.821 461 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 461 T C 1.669 176.381 174.700 0.021 0.000 1.046 461 T CA 1.176 63.290 62.100 0.023 0.000 1.139 461 T CB -0.318 68.567 68.868 0.027 0.000 0.871 461 T HN 0.325 nan 8.240 nan 0.000 0.454 462 E N 2.051 122.269 120.200 0.030 0.000 2.031 462 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 462 E C -0.283 176.324 176.600 0.010 0.000 0.994 462 E CA 1.358 57.776 56.400 0.030 0.000 0.800 462 E CB -0.580 29.147 29.700 0.045 0.000 0.752 462 E HN 0.461 nan 8.360 nan 0.000 0.447 463 P HA -0.075 nan 4.420 nan 0.000 0.218 463 P C 1.129 178.413 177.300 -0.027 0.000 1.152 463 P CA 1.630 64.728 63.100 -0.003 0.000 0.826 463 P CB -0.011 31.699 31.700 0.016 0.000 0.790 464 A N 0.318 123.129 122.820 -0.014 0.000 1.930 464 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 464 A C 2.297 179.861 177.584 -0.033 0.000 1.175 464 A CA 1.248 53.274 52.037 -0.018 0.000 0.627 464 A CB -1.297 17.701 19.000 -0.004 0.000 0.815 464 A HN 0.040 nan 8.150 nan 0.000 0.443 465 I N -0.379 120.174 120.570 -0.029 0.000 2.353 465 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 465 I C 2.481 178.547 176.117 -0.086 0.000 1.119 465 I CA 0.939 62.219 61.300 -0.032 0.000 1.417 465 I CB -1.407 36.589 38.000 -0.007 0.000 1.078 465 I HN 0.358 nan 8.210 nan 0.000 0.421 466 C N 0.843 120.067 119.300 -0.127 0.000 2.425 466 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 466 C C 3.133 177.783 174.990 -0.566 0.000 1.280 466 C CA 0.903 59.746 59.018 -0.291 0.000 1.744 466 C CB -1.145 26.466 27.740 -0.214 0.000 1.989 466 C HN 0.577 nan 8.230 nan 0.000 0.491 467 A N 0.206 122.843 122.820 -0.305 0.000 1.898 467 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 467 A C 2.104 179.621 177.584 -0.113 0.000 1.181 467 A CA 1.311 53.228 52.037 -0.201 0.000 0.620 467 A CB -0.578 18.384 19.000 -0.064 0.000 0.819 467 A HN 0.600 nan 8.150 nan 0.000 0.442 468 L N -0.970 120.205 121.223 -0.079 0.000 2.083 468 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 468 L C 2.796 179.668 176.870 0.003 0.000 1.083 468 L CA 1.609 56.441 54.840 -0.014 0.000 0.752 468 L CB -0.422 41.635 42.059 -0.003 0.000 0.899 468 L HN 0.499 nan 8.230 nan 0.000 0.433 469 R N -0.652 119.816 120.500 -0.053 0.000 2.070 469 R HA -0.187 4.153 4.340 -0.000 0.000 0.233 469 R C 2.421 178.797 176.300 0.126 0.000 1.137 469 R CA 1.568 57.675 56.100 0.011 0.000 0.945 469 R CB -0.223 30.059 30.300 -0.029 0.000 0.845 469 R HN 0.366 nan 8.270 nan 0.000 0.430 470 H N 0.738 119.838 119.070 0.050 0.000 2.387 470 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 470 H C 2.049 177.412 175.328 0.059 0.000 1.090 470 H CA 1.391 57.466 56.048 0.045 0.000 1.332 470 H CB -0.350 29.422 29.762 0.018 0.000 1.386 470 H HN 0.243 nan 8.280 nan 0.000 0.516 471 L N 0.709 122.039 121.223 0.179 0.000 2.465 471 L HA -0.043 4.297 4.340 -0.000 0.000 0.224 471 L C 1.328 178.372 176.870 0.290 0.000 1.145 471 L CA 1.336 56.278 54.840 0.171 0.000 0.834 471 L CB -0.212 41.913 42.059 0.110 0.000 0.944 471 L HN 0.313 nan 8.230 nan 0.000 0.451 472 T N -3.802 110.871 114.554 0.198 0.000 3.243 472 T HA 0.275 4.625 4.350 -0.000 0.000 0.264 472 T C 0.261 175.039 174.700 0.129 0.000 1.000 472 T CA -0.135 62.052 62.100 0.145 0.000 0.901 472 T CB -0.129 68.792 68.868 0.089 0.000 1.083 472 T HN 0.219 nan 8.240 nan 0.000 0.559 473 S N 0.395 116.217 115.700 0.203 0.000 2.552 473 S HA 0.555 5.025 4.470 -0.000 0.000 0.272 473 S C -0.586 174.147 174.600 0.222 0.000 1.150 473 S CA -1.297 56.996 58.200 0.155 0.000 0.849 473 S CB 1.269 64.544 63.200 0.125 0.000 1.113 473 S HN 0.372 nan 8.310 nan 0.000 0.458 474 R N 1.013 121.586 120.500 0.123 0.000 3.092 474 R HA -0.212 4.128 4.340 -0.000 0.000 0.245 474 R C -0.394 176.035 176.300 0.215 0.000 0.881 474 R CA 1.676 57.847 56.100 0.117 0.000 0.614 474 R CB -2.702 27.656 30.300 0.097 0.000 1.128 474 R HN 1.123 nan 8.270 nan 0.000 0.483 475 H N -6.190 112.896 119.070 0.027 0.000 2.969 475 H HA 0.385 4.941 4.556 -0.000 0.000 0.304 475 H C 0.770 176.109 175.328 0.018 0.000 1.400 475 H CA -0.131 55.940 56.048 0.037 0.000 1.182 475 H CB 0.455 30.284 29.762 0.111 0.000 1.865 475 H HN -0.054 nan 8.280 nan 0.000 0.512 476 Q N 0.986 120.812 119.800 0.044 0.000 2.118 476 Q HA -0.186 4.154 4.340 -0.000 0.000 0.211 476 Q C 1.015 176.930 176.000 -0.142 0.000 0.998 476 Q CA 2.357 58.142 55.803 -0.031 0.000 0.872 476 Q CB -0.907 27.867 28.738 0.059 0.000 0.925 476 Q HN 0.835 nan 8.270 nan 0.000 0.414 477 E N -0.773 119.299 120.200 -0.213 0.000 2.423 477 E HA 0.506 4.856 4.350 -0.000 0.000 0.198 477 E C 1.681 177.999 176.600 -0.470 0.000 1.038 477 E CA 0.128 56.404 56.400 -0.206 0.000 1.011 477 E CB 0.346 30.091 29.700 0.074 0.000 1.118 477 E HN 0.617 nan 8.360 nan 0.000 0.451 478 A N 1.493 123.819 122.820 -0.823 0.000 1.873 478 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 478 A C 2.340 179.817 177.584 -0.179 0.000 1.186 478 A CA 1.887 53.616 52.037 -0.515 0.000 0.616 478 A CB -0.599 18.178 19.000 -0.372 0.000 0.823 478 A HN 0.401 nan 8.150 nan 0.000 0.442 479 E N -1.400 118.708 120.200 -0.154 0.000 2.110 479 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 479 E C 2.288 178.848 176.600 -0.066 0.000 0.988 479 E CA 2.694 59.041 56.400 -0.087 0.000 0.804 479 E CB -1.291 28.360 29.700 -0.081 0.000 0.745 479 E HN 1.036 nan 8.360 nan 0.000 0.458 480 M N 0.460 120.020 119.600 -0.067 0.000 2.229 480 M HA 0.541 5.021 4.480 -0.000 0.000 0.264 480 M C 2.774 179.068 176.300 -0.011 0.000 1.063 480 M CA 2.219 57.497 55.300 -0.036 0.000 1.114 480 M CB -1.195 31.391 32.600 -0.023 0.000 1.387 480 M HN 0.778 nan 8.290 nan 0.000 0.420 481 A N -0.444 122.377 122.820 0.003 0.000 1.930 481 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 481 A C 2.009 179.612 177.584 0.032 0.000 1.176 481 A CA 1.520 53.587 52.037 0.049 0.000 0.632 481 A CB -0.623 18.443 19.000 0.110 0.000 0.819 481 A HN 0.778 nan 8.150 nan 0.000 0.445 482 Q N -0.089 119.716 119.800 0.008 0.000 2.170 482 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 482 Q C 1.614 177.606 176.000 -0.013 0.000 0.976 482 Q CA 1.390 57.196 55.803 0.004 0.000 0.858 482 Q CB -0.118 28.616 28.738 -0.007 0.000 0.907 482 Q HN 0.603 nan 8.270 nan 0.000 0.433 483 N N 0.077 118.758 118.700 -0.030 0.000 2.290 483 N HA -0.004 4.736 4.740 -0.000 0.000 0.179 483 N C 1.596 177.061 175.510 -0.074 0.000 1.016 483 N CA 1.022 54.038 53.050 -0.055 0.000 0.871 483 N CB -0.068 38.380 38.487 -0.066 0.000 0.987 483 N HN 0.186 nan 8.380 nan 0.000 0.431 484 A N 0.936 123.731 122.820 -0.042 0.000 2.019 484 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 484 A C 2.432 180.027 177.584 0.017 0.000 1.164 484 A CA 1.048 53.069 52.037 -0.027 0.000 0.644 484 A CB -0.560 18.491 19.000 0.086 0.000 0.805 484 A HN 0.085 nan 8.150 nan 0.000 0.449 485 V N -0.150 119.777 119.914 0.023 0.000 2.307 485 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 485 V C 2.635 178.723 176.094 -0.010 0.000 1.045 485 V CA 2.206 64.527 62.300 0.035 0.000 1.024 485 V CB -0.744 31.100 31.823 0.035 0.000 0.651 485 V HN 0.677 nan 8.190 nan 0.000 0.449 486 R N -0.366 120.108 120.500 -0.043 0.000 2.066 486 R HA -0.136 4.203 4.340 -0.000 0.000 0.232 486 R C 2.211 178.411 176.300 -0.166 0.000 1.131 486 R CA 1.487 57.550 56.100 -0.062 0.000 0.955 486 R CB -0.285 29.986 30.300 -0.049 0.000 0.851 486 R HN 0.330 nan 8.270 nan 0.000 0.432 487 L N 0.503 121.574 121.223 -0.253 0.000 2.191 487 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 487 L C 1.452 177.835 176.870 -0.812 0.000 1.103 487 L CA 1.603 56.169 54.840 -0.456 0.000 0.769 487 L CB -0.642 41.145 42.059 -0.453 0.000 0.908 487 L HN 0.263 nan 8.230 nan 0.000 0.438 488 H N -1.285 117.513 119.070 -0.455 0.000 2.524 488 H HA 0.144 4.700 4.556 -0.000 0.000 0.299 488 H C -0.179 174.912 175.328 -0.395 0.000 1.074 488 H CA -0.459 55.269 56.048 -0.534 0.000 1.115 488 H CB -0.511 29.139 29.762 -0.186 0.000 1.522 488 H HN 0.300 nan 8.280 nan 0.000 0.543 489 Y N -1.156 119.192 120.300 0.080 0.000 3.305 489 Y HA -0.264 4.286 4.550 -0.000 0.000 0.212 489 Y C 1.708 177.643 175.900 0.058 0.000 1.248 489 Y CA 0.392 58.525 58.100 0.055 0.000 1.359 489 Y CB -1.876 36.615 38.460 0.050 0.000 1.407 489 Y HN 0.367 nan 8.280 nan 0.000 0.572 490 G N -0.845 108.024 108.800 0.114 0.000 2.744 490 G HA2 0.103 4.063 3.960 -0.000 0.000 0.211 490 G HA3 0.103 4.063 3.960 -0.000 0.000 0.211 490 G C 1.242 176.188 174.900 0.077 0.000 1.146 490 G CA 0.403 45.560 45.100 0.096 0.000 0.787 490 G HN 0.296 nan 8.290 nan 0.000 0.534 491 L N 1.292 122.557 121.223 0.070 0.000 2.042 491 L HA 0.024 4.364 4.340 -0.000 0.000 0.210 491 L C 0.195 177.105 176.870 0.067 0.000 1.076 491 L CA 1.835 56.712 54.840 0.062 0.000 0.749 491 L CB -1.144 40.948 42.059 0.055 0.000 0.893 491 L HN 0.103 nan 8.230 nan 0.000 0.432 492 P HA -0.115 nan 4.420 nan 0.000 0.215 492 P C 1.955 179.295 177.300 0.066 0.000 1.157 492 P CA 1.971 65.111 63.100 0.067 0.000 0.863 492 P CB -0.065 31.674 31.700 0.065 0.000 0.787 493 V N -0.070 119.884 119.914 0.066 0.000 2.287 493 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 493 V C 2.440 178.568 176.094 0.057 0.000 1.053 493 V CA 2.523 64.858 62.300 0.059 0.000 1.027 493 V CB -1.658 30.199 31.823 0.058 0.000 0.646 493 V HN -0.105 nan 8.190 nan 0.000 0.447 494 V N -0.202 119.745 119.914 0.055 0.000 2.287 494 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 494 V C 2.556 178.677 176.094 0.046 0.000 1.053 494 V CA 2.080 64.407 62.300 0.046 0.000 1.027 494 V CB -0.357 31.492 31.823 0.043 0.000 0.646 494 V HN 0.529 nan 8.190 nan 0.000 0.447 495 V N -0.082 119.868 119.914 0.060 0.000 2.515 495 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 495 V C 2.386 178.552 176.094 0.120 0.000 1.058 495 V CA 2.110 64.450 62.300 0.067 0.000 1.064 495 V CB -0.736 31.140 31.823 0.088 0.000 0.675 495 V HN 0.577 nan 8.190 nan 0.000 0.461 496 K N 0.357 120.850 120.400 0.155 0.000 2.097 496 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 496 K C 1.990 178.701 176.600 0.185 0.000 1.049 496 K CA 1.428 57.859 56.287 0.240 0.000 0.933 496 K CB -0.224 32.341 32.500 0.108 0.000 0.717 496 K HN 0.422 nan 8.250 nan 0.000 0.442 497 L N 1.211 122.477 121.223 0.072 0.000 2.450 497 L HA -0.129 4.211 4.340 -0.000 0.000 0.224 497 L C 1.861 178.706 176.870 -0.041 0.000 1.149 497 L CA 0.442 55.294 54.840 0.020 0.000 0.816 497 L CB -0.207 41.862 42.059 0.017 0.000 0.932 497 L HN 0.246 nan 8.230 nan 0.000 0.449 498 L N -1.560 119.593 121.223 -0.116 0.000 2.492 498 L HA 0.007 4.347 4.340 -0.000 0.000 0.223 498 L C 0.921 177.574 176.870 -0.361 0.000 1.132 498 L CA 0.043 54.734 54.840 -0.248 0.000 0.850 498 L CB -0.370 41.491 42.059 -0.329 0.000 0.966 498 L HN 0.309 nan 8.230 nan 0.000 0.454 499 H N 0.128 119.155 119.070 -0.072 0.000 2.508 499 H HA 0.317 4.873 4.556 -0.000 0.000 0.344 499 H C -2.052 173.198 175.328 -0.129 0.000 1.192 499 H CA -2.146 53.847 56.048 -0.092 0.000 1.290 499 H CB 0.685 30.411 29.762 -0.060 0.000 1.571 499 H HN -0.162 nan 8.280 nan 0.000 0.555 500 P HA 0.015 nan 4.420 nan 0.000 0.270 500 P C -1.804 175.454 177.300 -0.070 0.000 1.223 500 P CA -1.059 61.974 63.100 -0.111 0.000 0.785 500 P CB 0.283 31.918 31.700 -0.109 0.000 0.923 501 P HA 0.041 nan 4.420 nan 0.000 0.256 501 P C -0.071 177.033 177.300 -0.327 0.000 1.335 501 P CA 0.069 63.050 63.100 -0.199 0.000 0.808 501 P CB 0.009 31.634 31.700 -0.124 0.000 1.305 502 S N 0.964 116.522 115.700 -0.236 0.000 2.552 502 S HA 0.046 4.516 4.470 -0.000 0.000 0.289 502 S C 0.530 174.901 174.600 -0.380 0.000 1.304 502 S CA 0.001 58.068 58.200 -0.221 0.000 1.063 502 S CB -0.002 63.119 63.200 -0.132 0.000 0.848 502 S HN 0.297 nan 8.310 nan 0.000 0.499 503 H N 0.936 119.938 119.070 -0.114 0.000 2.499 503 H HA 0.105 4.661 4.556 -0.000 0.000 0.352 503 H C 0.689 175.959 175.328 -0.097 0.000 1.237 503 H CA -0.577 55.389 56.048 -0.136 0.000 1.343 503 H CB 0.425 30.174 29.762 -0.020 0.000 1.578 503 H HN 0.798 nan 8.280 nan 0.000 0.577 504 W N 1.060 122.458 121.300 0.162 0.000 2.304 504 W HA -0.150 4.510 4.660 0.000 0.000 0.315 504 W C -0.399 176.173 176.519 0.088 0.000 1.233 504 W CA 0.940 58.345 57.345 0.100 0.000 1.261 504 W CB -1.325 28.192 29.460 0.096 0.000 1.150 504 W HN 0.620 nan 8.180 nan 0.000 0.494 505 P HA -0.211 nan 4.420 nan 0.000 0.215 505 P C 1.674 179.071 177.300 0.162 0.000 1.153 505 P CA 1.513 64.740 63.100 0.211 0.000 0.853 505 P CB -0.298 31.496 31.700 0.156 0.000 0.788 506 L N -0.407 120.900 121.223 0.141 0.000 2.072 506 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 506 L C 2.542 179.461 176.870 0.081 0.000 1.079 506 L CA 1.452 56.346 54.840 0.090 0.000 0.752 506 L CB -1.308 40.792 42.059 0.069 0.000 0.906 506 L HN -0.202 nan 8.230 nan 0.000 0.436 507 I N -0.300 120.326 120.570 0.092 0.000 2.226 507 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 507 I C 2.573 178.780 176.117 0.150 0.000 1.100 507 I CA 1.577 62.929 61.300 0.086 0.000 1.374 507 I CB -0.504 37.531 38.000 0.059 0.000 1.057 507 I HN 0.337 nan 8.210 nan 0.000 0.413 508 K N 1.487 122.013 120.400 0.210 0.000 2.032 508 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 508 K C 2.195 178.862 176.600 0.111 0.000 1.048 508 K CA 1.725 58.114 56.287 0.170 0.000 0.927 508 K CB -0.112 32.489 32.500 0.168 0.000 0.712 508 K HN 0.306 nan 8.250 nan 0.000 0.441 509 A N 0.447 123.324 122.820 0.094 0.000 1.930 509 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 509 A C 2.142 179.754 177.584 0.045 0.000 1.175 509 A CA 1.998 54.071 52.037 0.060 0.000 0.627 509 A CB -0.820 18.205 19.000 0.041 0.000 0.815 509 A HN 0.445 nan 8.150 nan 0.000 0.443 510 T N -0.314 114.268 114.554 0.047 0.000 2.777 510 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 510 T C 1.870 176.593 174.700 0.038 0.000 1.040 510 T CA 1.489 63.609 62.100 0.033 0.000 1.141 510 T CB -0.441 68.440 68.868 0.021 0.000 0.868 510 T HN 0.134 nan 8.240 nan 0.000 0.444 511 V N 1.579 121.524 119.914 0.052 0.000 2.332 511 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 511 V C 2.850 178.977 176.094 0.055 0.000 1.055 511 V CA 2.017 64.350 62.300 0.056 0.000 1.038 511 V CB -1.361 30.509 31.823 0.079 0.000 0.651 511 V HN 0.616 nan 8.190 nan 0.000 0.450 512 G N -0.253 108.583 108.800 0.060 0.000 2.418 512 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 512 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 512 G C 1.570 176.504 174.900 0.055 0.000 1.158 512 G CA 1.154 46.291 45.100 0.062 0.000 0.771 512 G HN 0.455 nan 8.290 nan 0.000 0.545 513 L N 0.818 122.067 121.223 0.044 0.000 2.017 513 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 513 L C 2.640 179.535 176.870 0.043 0.000 1.073 513 L CA 1.366 56.230 54.840 0.040 0.000 0.745 513 L CB -0.446 41.630 42.059 0.027 0.000 0.894 513 L HN 0.266 nan 8.230 nan 0.000 0.432 514 I N -0.711 119.883 120.570 0.040 0.000 2.361 514 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 514 I C 2.711 178.852 176.117 0.040 0.000 1.133 514 I CA 1.183 62.506 61.300 0.039 0.000 1.413 514 I CB -0.380 37.640 38.000 0.034 0.000 1.073 514 I HN 0.334 nan 8.210 nan 0.000 0.424 515 R N 1.085 121.609 120.500 0.040 0.000 2.073 515 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 515 R C 2.071 178.394 176.300 0.038 0.000 1.134 515 R CA 1.759 57.881 56.100 0.036 0.000 0.952 515 R CB -0.070 30.255 30.300 0.043 0.000 0.850 515 R HN 0.334 nan 8.270 nan 0.000 0.433 516 N N 0.633 119.362 118.700 0.048 0.000 2.142 516 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 516 N C 1.795 177.333 175.510 0.047 0.000 1.023 516 N CA 1.030 54.110 53.050 0.051 0.000 0.852 516 N CB -0.217 38.309 38.487 0.065 0.000 0.998 516 N HN 0.232 nan 8.380 nan 0.000 0.424 517 L N 0.379 121.631 121.223 0.048 0.000 2.191 517 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 517 L C 2.009 178.921 176.870 0.069 0.000 1.103 517 L CA 0.803 55.672 54.840 0.048 0.000 0.769 517 L CB -0.405 41.682 42.059 0.047 0.000 0.908 517 L HN 0.115 nan 8.230 nan 0.000 0.438 518 A N -0.344 122.525 122.820 0.082 0.000 2.209 518 A HA -0.005 4.315 4.320 -0.000 0.000 0.212 518 A C 2.104 179.803 177.584 0.193 0.000 1.158 518 A CA 0.674 52.796 52.037 0.141 0.000 0.742 518 A CB -0.455 18.571 19.000 0.043 0.000 0.790 518 A HN 0.397 nan 8.150 nan 0.000 0.472 519 L N -1.192 120.087 121.223 0.094 0.000 2.478 519 L HA -0.008 4.332 4.340 -0.000 0.000 0.223 519 L C 1.049 177.930 176.870 0.019 0.000 1.140 519 L CA -0.083 54.794 54.840 0.062 0.000 0.842 519 L CB -0.190 41.883 42.059 0.023 0.000 0.953 519 L HN 0.499 nan 8.230 nan 0.000 0.452 520 C N 0.993 120.287 119.300 -0.010 0.000 2.255 520 C HA 0.315 4.775 4.460 -0.000 0.000 0.326 520 C C -0.809 173.999 174.990 -0.303 0.000 1.258 520 C CA -1.781 57.175 59.018 -0.104 0.000 1.676 520 C CB 0.664 28.364 27.740 -0.065 0.000 2.314 520 C HN 0.093 nan 8.230 nan 0.000 0.509 521 P HA -0.114 nan 4.420 nan 0.000 0.216 521 P C 1.360 178.345 177.300 -0.524 0.000 1.150 521 P CA 1.997 64.585 63.100 -0.853 0.000 0.843 521 P CB 0.115 31.579 31.700 -0.394 0.000 0.787 522 A N -0.977 121.689 122.820 -0.255 0.000 2.172 522 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 522 A C 1.837 179.376 177.584 -0.074 0.000 1.154 522 A CA 1.357 53.316 52.037 -0.130 0.000 0.701 522 A CB -0.953 17.992 19.000 -0.093 0.000 0.789 522 A HN 0.145 nan 8.150 nan 0.000 0.465 523 N N -1.038 117.620 118.700 -0.071 0.000 2.299 523 N HA 0.049 4.789 4.740 -0.000 0.000 0.187 523 N C 1.123 176.713 175.510 0.132 0.000 1.099 523 N CA 0.328 53.396 53.050 0.030 0.000 0.867 523 N CB -0.376 38.137 38.487 0.043 0.000 0.974 523 N HN 0.729 nan 8.380 nan 0.000 0.477 524 H N 0.556 119.624 119.070 -0.003 0.000 2.290 524 H HA -0.062 4.494 4.556 -0.000 0.000 0.298 524 H C 1.878 177.210 175.328 0.007 0.000 1.087 524 H CA 1.359 57.408 56.048 0.000 0.000 1.291 524 H CB 0.316 30.075 29.762 -0.004 0.000 1.369 524 H HN 0.213 nan 8.280 nan 0.000 0.492 525 A N 1.196 124.102 122.820 0.143 0.000 1.855 525 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 525 A C -0.238 177.383 177.584 0.062 0.000 1.191 525 A CA 1.176 53.261 52.037 0.080 0.000 0.613 525 A CB -1.277 17.756 19.000 0.055 0.000 0.829 525 A HN 0.282 nan 8.150 nan 0.000 0.442 526 P HA -0.151 nan 4.420 nan 0.000 0.215 526 P C 1.482 178.814 177.300 0.053 0.000 1.157 526 P CA 0.958 64.088 63.100 0.049 0.000 0.868 526 P CB -0.157 31.568 31.700 0.042 0.000 0.788 527 L N -1.047 120.213 121.223 0.061 0.000 2.042 527 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 527 L C 2.809 179.709 176.870 0.050 0.000 1.076 527 L CA 1.537 56.411 54.840 0.057 0.000 0.749 527 L CB -0.636 41.459 42.059 0.060 0.000 0.893 527 L HN -0.088 nan 8.230 nan 0.000 0.432 528 R N 0.594 121.123 120.500 0.047 0.000 2.075 528 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 528 R C 2.046 178.371 176.300 0.040 0.000 1.126 528 R CA 1.602 57.726 56.100 0.039 0.000 0.963 528 R CB -0.092 30.229 30.300 0.035 0.000 0.858 528 R HN 0.405 nan 8.270 nan 0.000 0.435 529 E N -0.110 120.114 120.200 0.041 0.000 2.204 529 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 529 E C 1.650 178.273 176.600 0.039 0.000 0.990 529 E CA 0.690 57.112 56.400 0.037 0.000 0.821 529 E CB 0.163 29.884 29.700 0.035 0.000 0.750 529 E HN 0.344 nan 8.360 nan 0.000 0.477 530 Q N -0.627 119.202 119.800 0.048 0.000 2.403 530 Q HA 0.071 4.411 4.340 -0.000 0.000 0.203 530 Q C 0.944 176.986 176.000 0.070 0.000 0.932 530 Q CA 0.660 56.497 55.803 0.055 0.000 0.945 530 Q CB 1.137 29.912 28.738 0.063 0.000 1.045 530 Q HN 0.393 nan 8.270 nan 0.000 0.511 531 G N 0.786 109.623 108.800 0.062 0.000 2.160 531 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.244 531 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.244 531 G C 0.962 175.911 174.900 0.082 0.000 1.022 531 G CA 0.555 45.698 45.100 0.071 0.000 0.741 531 G HN 0.462 nan 8.290 nan 0.000 0.508 532 A N -0.336 122.523 122.820 0.065 0.000 1.933 532 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 532 A C 2.403 180.008 177.584 0.035 0.000 1.175 532 A CA 1.790 53.855 52.037 0.046 0.000 0.628 532 A CB -0.268 18.756 19.000 0.039 0.000 0.814 532 A HN 0.800 nan 8.150 nan 0.000 0.444 533 I N 0.519 121.112 120.570 0.038 0.000 2.099 533 I HA -0.179 3.991 4.170 -0.000 0.000 0.239 533 I C -0.201 175.941 176.117 0.041 0.000 1.066 533 I CA 1.735 63.058 61.300 0.039 0.000 1.324 533 I CB -1.427 36.594 38.000 0.035 0.000 1.037 533 I HN 0.263 nan 8.210 nan 0.000 0.401 534 P HA -0.199 nan 4.420 nan 0.000 0.217 534 P C 1.469 178.793 177.300 0.039 0.000 1.150 534 P CA 1.621 64.744 63.100 0.039 0.000 0.832 534 P CB -0.135 31.591 31.700 0.043 0.000 0.787 535 R N 0.609 121.133 120.500 0.041 0.000 2.081 535 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 535 R C 2.548 178.844 176.300 -0.007 0.000 1.131 535 R CA 1.313 57.413 56.100 0.001 0.000 0.960 535 R CB -1.759 28.484 30.300 -0.095 0.000 0.856 535 R HN 0.145 nan 8.270 nan 0.000 0.436 536 L N -0.390 120.839 121.223 0.010 0.000 2.131 536 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 536 L C 2.229 179.135 176.870 0.059 0.000 1.092 536 L CA 0.996 55.858 54.840 0.037 0.000 0.759 536 L CB -0.354 41.733 42.059 0.046 0.000 0.903 536 L HN 0.055 nan 8.230 nan 0.000 0.435 537 V N 0.237 120.180 119.914 0.048 0.000 2.379 537 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 537 V C 2.525 178.637 176.094 0.029 0.000 1.044 537 V CA 1.991 64.311 62.300 0.033 0.000 1.036 537 V CB -0.680 31.146 31.823 0.006 0.000 0.664 537 V HN 0.644 nan 8.190 nan 0.000 0.453 538 Q N -0.047 119.773 119.800 0.033 0.000 2.224 538 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 538 Q C 2.121 178.168 176.000 0.078 0.000 0.970 538 Q CA 1.702 57.531 55.803 0.043 0.000 0.865 538 Q CB -0.440 28.321 28.738 0.038 0.000 0.922 538 Q HN 0.527 nan 8.270 nan 0.000 0.445 539 L N 0.135 121.414 121.223 0.093 0.000 2.109 539 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 539 L C 2.361 179.337 176.870 0.175 0.000 1.086 539 L CA 0.464 55.409 54.840 0.176 0.000 0.760 539 L CB -0.321 41.842 42.059 0.174 0.000 0.910 539 L HN 0.266 nan 8.230 nan 0.000 0.437 540 L N -0.674 120.619 121.223 0.117 0.000 2.056 540 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 540 L C 2.351 179.278 176.870 0.096 0.000 1.078 540 L CA 1.583 56.483 54.840 0.100 0.000 0.749 540 L CB -0.373 41.740 42.059 0.090 0.000 0.901 540 L HN -0.098 nan 8.230 nan 0.000 0.433 541 V N 0.535 120.492 119.914 0.072 0.000 2.255 541 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 541 V C 3.237 179.391 176.094 0.100 0.000 1.051 541 V CA 2.739 65.081 62.300 0.070 0.000 1.018 541 V CB -1.391 30.453 31.823 0.035 0.000 0.641 541 V HN 0.632 nan 8.190 nan 0.000 0.445 542 R N -0.039 120.526 120.500 0.108 0.000 2.091 542 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 542 R C 2.312 178.666 176.300 0.089 0.000 1.136 542 R CA 2.244 58.415 56.100 0.118 0.000 0.959 542 R CB -1.550 28.860 30.300 0.184 0.000 0.856 542 R HN 0.657 nan 8.270 nan 0.000 0.437 543 A N 0.143 123.012 122.820 0.083 0.000 1.877 543 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 543 A C 2.287 179.875 177.584 0.006 0.000 1.186 543 A CA 1.959 53.984 52.037 -0.020 0.000 0.620 543 A CB -0.773 18.202 19.000 -0.041 0.000 0.822 543 A HN 0.827 nan 8.150 nan 0.000 0.443 544 H N -0.314 118.741 119.070 -0.024 0.000 2.421 544 H HA -0.062 4.494 4.556 -0.000 0.000 0.298 544 H C 2.104 177.418 175.328 -0.022 0.000 1.087 544 H CA 2.007 58.042 56.048 -0.021 0.000 1.330 544 H CB -0.145 29.615 29.762 -0.004 0.000 1.388 544 H HN 0.609 nan 8.280 nan 0.000 0.526 545 Q N -0.195 119.574 119.800 -0.052 0.000 2.050 545 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 545 Q C 1.686 177.615 176.000 -0.117 0.000 0.980 545 Q CA 1.474 57.221 55.803 -0.092 0.000 0.840 545 Q CB 0.096 28.829 28.738 -0.009 0.000 0.898 545 Q HN 0.570 nan 8.270 nan 0.000 0.424 546 D N 0.037 120.386 120.400 -0.085 0.000 2.092 546 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 546 D C 2.146 178.371 176.300 -0.126 0.000 0.994 546 D CA 2.154 56.100 54.000 -0.090 0.000 0.828 546 D CB -0.666 40.077 40.800 -0.096 0.000 0.963 546 D HN 0.394 nan 8.370 nan 0.000 0.450 547 T N -0.925 113.535 114.554 -0.156 0.000 2.720 547 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 547 T C 1.888 176.481 174.700 -0.177 0.000 1.037 547 T CA 1.243 63.247 62.100 -0.159 0.000 1.144 547 T CB -0.429 68.358 68.868 -0.135 0.000 0.864 547 T HN 0.192 nan 8.240 nan 0.000 0.444 548 Q N 0.744 120.385 119.800 -0.266 0.000 2.119 548 Q HA -0.060 4.280 4.340 -0.000 0.000 0.201 548 Q C 3.136 179.055 176.000 -0.134 0.000 0.972 548 Q CA 1.864 57.529 55.803 -0.229 0.000 0.847 548 Q CB -0.425 28.123 28.738 -0.317 0.000 0.903 548 Q HN 0.815 nan 8.270 nan 0.000 0.433 549 R N 1.064 121.494 120.500 -0.117 0.000 2.066 549 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 549 R C 2.326 178.588 176.300 -0.063 0.000 1.131 549 R CA 1.903 57.959 56.100 -0.074 0.000 0.955 549 R CB -1.895 28.370 30.300 -0.058 0.000 0.851 549 R HN 0.421 nan 8.270 nan 0.000 0.432 550 R N 0.264 120.721 120.500 -0.072 0.000 2.103 550 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 550 R C 2.710 178.977 176.300 -0.056 0.000 1.142 550 R CA 2.366 58.429 56.100 -0.062 0.000 0.960 550 R CB -1.996 28.257 30.300 -0.078 0.000 0.858 550 R HN 0.622 nan 8.270 nan 0.000 0.439 551 T N 0.775 115.290 114.554 -0.065 0.000 2.746 551 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 551 T C 2.352 177.027 174.700 -0.041 0.000 1.039 551 T CA 2.232 64.301 62.100 -0.052 0.000 1.142 551 T CB -0.388 68.446 68.868 -0.056 0.000 0.866 551 T HN 0.781 nan 8.240 nan 0.000 0.444 552 S N 1.405 117.078 115.700 -0.045 0.000 2.423 552 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 552 S C 2.030 176.614 174.600 -0.027 0.000 1.014 552 S CA 0.737 58.915 58.200 -0.036 0.000 0.965 552 S CB -0.429 62.748 63.200 -0.039 0.000 0.785 552 S HN 0.214 nan 8.310 nan 0.000 0.495 553 M N 1.549 121.133 119.600 -0.028 0.000 2.394 553 M HA 0.231 4.711 4.480 -0.000 0.000 0.264 553 M C 1.625 177.916 176.300 -0.016 0.000 1.073 553 M CA 0.946 56.234 55.300 -0.020 0.000 1.111 553 M CB -2.072 30.517 32.600 -0.019 0.000 1.401 553 M HN 0.627 nan 8.290 nan 0.000 0.448 559 Q N 0.398 120.104 119.800 -0.157 0.000 2.306 559 Q HA 0.915 5.255 4.340 -0.000 0.000 0.241 559 Q C -0.606 175.197 176.000 -0.329 0.000 0.948 559 Q CA -0.124 55.612 55.803 -0.111 0.000 0.886 559 Q CB 0.605 29.285 28.738 -0.096 0.000 1.227 559 Q HN 1.096 nan 8.270 nan 0.000 0.457 560 F N 0.268 120.194 119.950 -0.040 0.000 2.671 560 F HA 0.428 4.955 4.527 -0.000 0.000 0.332 560 F C -0.528 175.249 175.800 -0.039 0.000 1.189 560 F CA -0.897 57.076 58.000 -0.046 0.000 0.988 560 F CB 2.299 41.286 39.000 -0.022 0.000 1.258 560 F HN 0.377 nan 8.300 nan 0.000 0.471 561 V N 3.636 123.578 119.914 0.046 0.000 2.353 561 V HA 0.214 4.334 4.120 -0.000 0.000 0.264 561 V C 0.239 176.424 176.094 0.152 0.000 1.049 561 V CA -0.514 61.813 62.300 0.045 0.000 0.896 561 V CB 0.504 32.256 31.823 -0.118 0.000 1.025 561 V HN 0.884 nan 8.190 nan 0.000 0.475 562 E N 3.705 124.035 120.200 0.217 0.000 2.513 562 E HA -0.259 4.091 4.350 -0.000 0.000 0.257 562 E C 1.201 177.916 176.600 0.192 0.000 1.098 562 E CA 0.496 57.037 56.400 0.236 0.000 0.752 562 E CB -1.317 28.622 29.700 0.399 0.000 1.324 562 E HN 1.407 nan 8.360 nan 0.000 0.403 563 G N -1.569 107.332 108.800 0.169 0.000 2.159 563 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.256 563 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.256 563 G C 0.179 175.228 174.900 0.248 0.000 0.977 563 G CA 0.247 45.433 45.100 0.143 0.000 0.652 563 G HN 0.404 nan 8.290 nan 0.000 0.531 564 V N 0.486 120.543 119.914 0.238 0.000 2.656 564 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 564 V C 0.552 176.630 176.094 -0.026 0.000 1.051 564 V CA -1.139 61.245 62.300 0.138 0.000 0.893 564 V CB 1.863 33.726 31.823 0.067 0.000 0.999 564 V HN 0.320 nan 8.190 nan 0.000 0.426 565 R N 3.914 124.352 120.500 -0.104 0.000 2.267 565 R HA 0.293 4.633 4.340 -0.000 0.000 0.319 565 R C 0.833 176.969 176.300 -0.273 0.000 1.067 565 R CA -0.645 55.272 56.100 -0.306 0.000 0.936 565 R CB 0.834 30.931 30.300 -0.338 0.000 1.006 565 R HN 0.593 nan 8.270 nan 0.000 0.452 566 M N 1.895 121.299 119.600 -0.326 0.000 2.267 566 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 566 M C 1.214 177.396 176.300 -0.197 0.000 1.063 566 M CA 1.686 56.787 55.300 -0.331 0.000 1.090 566 M CB -0.579 31.831 32.600 -0.316 0.000 1.392 566 M HN 0.518 nan 8.290 nan 0.000 0.422 567 E N 0.412 120.518 120.200 -0.157 0.000 2.110 567 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 567 E C 1.906 178.469 176.600 -0.061 0.000 0.988 567 E CA 1.193 57.542 56.400 -0.085 0.000 0.804 567 E CB -0.214 29.434 29.700 -0.085 0.000 0.745 567 E HN 0.587 nan 8.360 nan 0.000 0.458 568 E N -0.094 120.059 120.200 -0.078 0.000 2.208 568 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 568 E C 1.722 178.309 176.600 -0.022 0.000 0.988 568 E CA 0.460 56.839 56.400 -0.036 0.000 0.828 568 E CB 0.061 29.747 29.700 -0.024 0.000 0.763 568 E HN 0.224 nan 8.360 nan 0.000 0.478 569 I N 0.634 121.165 120.570 -0.065 0.000 2.353 569 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 569 I C 2.345 178.470 176.117 0.013 0.000 1.119 569 I CA 0.829 62.111 61.300 -0.029 0.000 1.417 569 I CB -0.868 37.045 38.000 -0.144 0.000 1.078 569 I HN -0.000 nan 8.210 nan 0.000 0.421 570 V N 0.903 120.816 119.914 -0.001 0.000 2.261 570 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 570 V C 2.673 178.790 176.094 0.039 0.000 1.047 570 V CA 1.931 64.254 62.300 0.038 0.000 1.015 570 V CB -0.629 31.225 31.823 0.052 0.000 0.642 570 V HN 0.403 nan 8.190 nan 0.000 0.446 571 E N 0.659 120.872 120.200 0.022 0.000 2.077 571 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 571 E C 2.277 178.894 176.600 0.029 0.000 0.989 571 E CA 1.723 58.134 56.400 0.018 0.000 0.800 571 E CB -0.576 29.131 29.700 0.013 0.000 0.746 571 E HN 0.549 nan 8.360 nan 0.000 0.452 572 G N 0.740 109.563 108.800 0.038 0.000 2.459 572 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 572 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 572 G C 2.031 176.966 174.900 0.058 0.000 1.183 572 G CA 1.155 46.286 45.100 0.051 0.000 0.776 572 G HN 0.392 nan 8.290 nan 0.000 0.552 573 C N 0.545 119.887 119.300 0.070 0.000 2.432 573 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 573 C C 3.283 178.324 174.990 0.085 0.000 1.249 573 C CA 1.608 60.676 59.018 0.083 0.000 1.725 573 C CB -1.084 26.717 27.740 0.102 0.000 2.028 573 C HN 0.463 nan 8.230 nan 0.000 0.477 574 T N 0.396 114.998 114.554 0.080 0.000 2.788 574 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 574 T C 1.926 176.617 174.700 -0.015 0.000 1.044 574 T CA 1.707 63.831 62.100 0.040 0.000 1.139 574 T CB -0.544 68.328 68.868 0.007 0.000 0.867 574 T HN 0.709 nan 8.240 nan 0.000 0.454 575 G N 0.907 109.717 108.800 0.017 0.000 2.403 575 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 575 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 575 G C 1.804 176.731 174.900 0.044 0.000 1.154 575 G CA 0.732 45.859 45.100 0.044 0.000 0.784 575 G HN 0.571 nan 8.290 nan 0.000 0.538 576 A N 0.577 123.419 122.820 0.035 0.000 1.930 576 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 576 A C 2.397 179.983 177.584 0.003 0.000 1.175 576 A CA 1.070 53.121 52.037 0.022 0.000 0.627 576 A CB -0.335 18.686 19.000 0.035 0.000 0.815 576 A HN 0.345 nan 8.150 nan 0.000 0.443 577 L N -1.511 119.724 121.223 0.021 0.000 2.109 577 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 577 L C 2.652 179.503 176.870 -0.031 0.000 1.086 577 L CA 1.462 56.310 54.840 0.013 0.000 0.760 577 L CB -0.713 41.399 42.059 0.087 0.000 0.910 577 L HN 0.597 nan 8.230 nan 0.000 0.437 578 H N 0.936 119.902 119.070 -0.172 0.000 2.319 578 H HA -0.182 4.374 4.556 -0.000 0.000 0.297 578 H C 2.070 177.306 175.328 -0.153 0.000 1.097 578 H CA 1.936 57.853 56.048 -0.218 0.000 1.285 578 H CB -0.154 29.462 29.762 -0.243 0.000 1.368 578 H HN 0.229 nan 8.280 nan 0.000 0.495 579 I N -0.324 120.091 120.570 -0.258 0.000 2.286 579 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 579 I C 2.421 178.389 176.117 -0.248 0.000 1.104 579 I CA 0.836 61.965 61.300 -0.286 0.000 1.397 579 I CB -0.261 37.648 38.000 -0.153 0.000 1.072 579 I HN 0.200 nan 8.210 nan 0.000 0.417 580 L N 0.870 121.970 121.223 -0.205 0.000 2.131 580 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 580 L C 2.608 179.315 176.870 -0.273 0.000 1.092 580 L CA 1.055 55.727 54.840 -0.280 0.000 0.759 580 L CB -0.593 41.383 42.059 -0.139 0.000 0.903 580 L HN 0.242 nan 8.230 nan 0.000 0.435 581 A N -0.288 122.433 122.820 -0.165 0.000 2.239 581 A HA -0.106 4.214 4.320 -0.000 0.000 0.209 581 A C 2.196 179.718 177.584 -0.104 0.000 1.171 581 A CA 0.663 52.639 52.037 -0.102 0.000 0.768 581 A CB -0.472 18.497 19.000 -0.052 0.000 0.790 581 A HN 0.345 nan 8.150 nan 0.000 0.478 582 R N -0.237 120.166 120.500 -0.161 0.000 2.189 582 R HA -0.046 4.294 4.340 -0.000 0.000 0.218 582 R C -0.018 176.266 176.300 -0.027 0.000 1.074 582 R CA 0.843 56.895 56.100 -0.080 0.000 0.991 582 R CB -0.133 30.140 30.300 -0.045 0.000 0.883 582 R HN 0.624 nan 8.270 nan 0.000 0.457 583 D N -0.517 119.827 120.400 -0.092 0.000 2.225 583 D HA 0.024 4.664 4.640 -0.000 0.000 0.248 583 D C 0.996 177.295 176.300 -0.001 0.000 1.096 583 D CA -0.238 53.766 54.000 0.007 0.000 0.863 583 D CB 1.829 42.634 40.800 0.009 0.000 1.156 583 D HN -0.257 nan 8.370 nan 0.000 0.450 584 V N 3.374 123.303 119.914 0.025 0.000 2.332 584 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 584 V C 2.060 178.165 176.094 0.018 0.000 1.055 584 V CA 2.616 64.929 62.300 0.021 0.000 1.038 584 V CB -0.752 31.087 31.823 0.026 0.000 0.651 584 V HN 0.812 nan 8.190 nan 0.000 0.450 585 H N -0.504 118.580 119.070 0.023 0.000 2.357 585 H HA -0.096 4.460 4.556 -0.000 0.000 0.301 585 H C 2.276 177.613 175.328 0.015 0.000 1.082 585 H CA 1.950 58.011 56.048 0.022 0.000 1.342 585 H CB -0.352 29.427 29.762 0.028 0.000 1.389 585 H HN 0.673 nan 8.280 nan 0.000 0.511 586 N N 0.148 118.849 118.700 0.002 0.000 2.166 586 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 586 N C 2.144 177.655 175.510 0.001 0.000 1.019 586 N CA 1.132 54.176 53.050 -0.010 0.000 0.856 586 N CB -0.592 37.861 38.487 -0.058 0.000 0.993 586 N HN 0.460 nan 8.380 nan 0.000 0.426 587 R N 0.674 121.174 120.500 -0.000 0.000 2.193 587 R HA 0.079 4.419 4.340 -0.000 0.000 0.229 587 R C 1.953 178.271 176.300 0.030 0.000 1.110 587 R CA 0.647 56.756 56.100 0.016 0.000 0.988 587 R CB -0.045 30.261 30.300 0.011 0.000 0.871 587 R HN 0.217 nan 8.270 nan 0.000 0.458 588 I N -0.576 120.009 120.570 0.024 0.000 2.333 588 I HA -0.200 3.970 4.170 -0.000 0.000 0.246 588 I C 1.984 178.117 176.117 0.027 0.000 1.106 588 I CA 0.674 61.989 61.300 0.025 0.000 1.411 588 I CB -0.129 37.883 38.000 0.021 0.000 1.082 588 I HN -0.015 nan 8.210 nan 0.000 0.420 589 V N 1.487 121.417 119.914 0.026 0.000 2.261 589 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 589 V C 2.377 178.492 176.094 0.034 0.000 1.047 589 V CA 1.928 64.243 62.300 0.026 0.000 1.015 589 V CB -0.526 31.312 31.823 0.025 0.000 0.642 589 V HN 0.312 nan 8.190 nan 0.000 0.446 590 I N 0.339 120.940 120.570 0.051 0.000 2.163 590 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 590 I C 3.112 179.272 176.117 0.072 0.000 1.085 590 I CA 2.247 63.598 61.300 0.086 0.000 1.347 590 I CB -0.672 37.415 38.000 0.144 0.000 1.044 590 I HN 0.361 nan 8.210 nan 0.000 0.408 591 R N 1.065 121.605 120.500 0.067 0.000 2.081 591 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 591 R C 2.337 178.649 176.300 0.019 0.000 1.131 591 R CA 1.552 57.681 56.100 0.049 0.000 0.960 591 R CB -2.255 28.073 30.300 0.048 0.000 0.856 591 R HN 0.556 nan 8.270 nan 0.000 0.436 592 G N 0.661 109.472 108.800 0.018 0.000 2.450 592 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.220 592 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.220 592 G C 1.439 176.337 174.900 -0.003 0.000 1.130 592 G CA 0.826 45.931 45.100 0.008 0.000 0.760 592 G HN 0.467 nan 8.290 nan 0.000 0.557 593 L N 0.211 121.429 121.223 -0.009 0.000 2.675 593 L HA 0.147 4.487 4.340 -0.000 0.000 0.239 593 L C 1.082 177.919 176.870 -0.055 0.000 1.151 593 L CA 0.027 54.851 54.840 -0.026 0.000 0.905 593 L CB -0.564 41.480 42.059 -0.025 0.000 1.057 593 L HN 0.281 nan 8.230 nan 0.000 0.435 594 N N 0.218 118.887 118.700 -0.051 0.000 2.738 594 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 594 N C 1.015 176.441 175.510 -0.139 0.000 1.047 594 N CA 0.904 53.913 53.050 -0.068 0.000 0.707 594 N CB -0.687 37.769 38.487 -0.052 0.000 0.937 594 N HN 0.500 nan 8.380 nan 0.000 0.545 595 T N -3.160 111.273 114.554 -0.202 0.000 3.035 595 T HA 0.125 4.475 4.350 -0.000 0.000 0.259 595 T C 2.016 176.395 174.700 -0.536 0.000 1.078 595 T CA 0.756 62.558 62.100 -0.496 0.000 1.132 595 T CB -0.182 68.277 68.868 -0.682 0.000 0.900 595 T HN 0.358 nan 8.240 nan 0.000 0.480 596 I N 2.310 122.786 120.570 -0.156 0.000 2.143 596 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 596 I C -0.585 175.524 176.117 -0.013 0.000 1.068 596 I CA 1.621 62.938 61.300 0.028 0.000 1.326 596 I CB -1.372 36.666 38.000 0.064 0.000 1.028 596 I HN 0.248 nan 8.210 nan 0.000 0.412 597 P HA -0.186 nan 4.420 nan 0.000 0.215 597 P C 1.832 179.095 177.300 -0.062 0.000 1.153 597 P CA 1.195 64.270 63.100 -0.041 0.000 0.853 597 P CB 0.015 31.683 31.700 -0.052 0.000 0.788 598 L N -1.326 119.795 121.223 -0.170 0.000 2.027 598 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 598 L C 2.208 179.015 176.870 -0.105 0.000 1.074 598 L CA 1.703 56.420 54.840 -0.204 0.000 0.745 598 L CB -1.471 40.393 42.059 -0.325 0.000 0.898 598 L HN -0.100 nan 8.230 nan 0.000 0.433 599 F N -1.615 118.293 119.950 -0.071 0.000 2.202 599 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 599 F C 2.295 178.066 175.800 -0.047 0.000 1.082 599 F CA 0.829 58.786 58.000 -0.072 0.000 1.313 599 F CB -0.319 38.645 39.000 -0.060 0.000 1.024 599 F HN -0.036 nan 8.300 nan 0.000 0.495 600 V N -0.140 119.873 119.914 0.166 0.000 2.379 600 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 600 V C 2.739 178.954 176.094 0.203 0.000 1.044 600 V CA 2.246 64.631 62.300 0.143 0.000 1.036 600 V CB -1.295 30.605 31.823 0.128 0.000 0.664 600 V HN 0.464 nan 8.190 nan 0.000 0.453 601 Q N -0.335 119.556 119.800 0.152 0.000 2.170 601 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 601 Q C 2.070 178.183 176.000 0.189 0.000 0.976 601 Q CA 2.032 57.944 55.803 0.182 0.000 0.858 601 Q CB -0.881 27.880 28.738 0.038 0.000 0.907 601 Q HN 0.726 nan 8.270 nan 0.000 0.433 602 L N -0.105 121.146 121.223 0.048 0.000 2.265 602 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 602 L C 2.459 179.367 176.870 0.062 0.000 1.117 602 L CA 0.603 55.453 54.840 0.017 0.000 0.782 602 L CB -0.323 41.730 42.059 -0.010 0.000 0.914 602 L HN 0.375 nan 8.230 nan 0.000 0.441 603 L N -1.536 119.724 121.223 0.061 0.000 2.275 603 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 603 L C 1.872 178.665 176.870 -0.129 0.000 1.119 603 L CA 1.062 55.861 54.840 -0.070 0.000 0.790 603 L CB -0.380 41.580 42.059 -0.165 0.000 0.919 603 L HN 0.250 nan 8.230 nan 0.000 0.443 604 Y N -1.005 119.305 120.300 0.016 0.000 2.490 604 Y HA 0.082 4.632 4.550 -0.000 0.000 0.281 604 Y C 1.753 177.671 175.900 0.029 0.000 1.174 604 Y CA -0.224 57.890 58.100 0.023 0.000 1.295 604 Y CB -0.084 38.394 38.460 0.029 0.000 1.062 604 Y HN -0.021 nan 8.280 nan 0.000 0.522 605 S N 1.421 117.215 115.700 0.156 0.000 2.558 605 S HA -0.004 4.466 4.470 -0.000 0.000 0.288 605 S C -1.532 173.107 174.600 0.066 0.000 1.318 605 S CA -1.068 57.199 58.200 0.111 0.000 1.056 605 S CB 0.828 64.080 63.200 0.087 0.000 0.853 605 S HN 0.064 nan 8.310 nan 0.000 0.505 606 P HA 0.152 nan 4.420 nan 0.000 0.229 606 P C -0.259 177.052 177.300 0.019 0.000 1.160 606 P CA 0.660 63.780 63.100 0.032 0.000 0.777 606 P CB 0.012 31.727 31.700 0.025 0.000 0.814 607 I N 0.463 121.045 120.570 0.019 0.000 2.322 607 I HA 0.058 4.228 4.170 -0.000 0.000 0.292 607 I C 1.482 177.603 176.117 0.008 0.000 1.060 607 I CA -0.096 61.210 61.300 0.010 0.000 1.309 607 I CB 0.612 38.616 38.000 0.006 0.000 1.415 607 I HN -0.061 nan 8.210 nan 0.000 0.492 608 E N 3.925 124.128 120.200 0.006 0.000 2.114 608 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 608 E C 1.446 178.050 176.600 0.006 0.000 1.008 608 E CA 1.908 58.311 56.400 0.005 0.000 0.810 608 E CB -0.018 29.686 29.700 0.006 0.000 0.739 608 E HN 0.687 nan 8.360 nan 0.000 0.456 609 N N 0.487 119.192 118.700 0.008 0.000 2.149 609 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 609 N C 1.777 177.285 175.510 -0.003 0.000 1.019 609 N CA 1.124 54.179 53.050 0.009 0.000 0.857 609 N CB -0.156 38.339 38.487 0.012 0.000 0.997 609 N HN 0.190 nan 8.380 nan 0.000 0.426 610 I N 0.587 121.156 120.570 -0.003 0.000 2.286 610 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 610 I C 2.094 178.192 176.117 -0.031 0.000 1.104 610 I CA 0.988 62.282 61.300 -0.010 0.000 1.397 610 I CB -0.284 37.724 38.000 0.013 0.000 1.072 610 I HN 0.182 nan 8.210 nan 0.000 0.417 611 Q N 0.383 120.170 119.800 -0.022 0.000 2.096 611 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 611 Q C 2.332 178.299 176.000 -0.056 0.000 0.982 611 Q CA 1.571 57.352 55.803 -0.037 0.000 0.850 611 Q CB -0.264 28.459 28.738 -0.025 0.000 0.901 611 Q HN 0.400 nan 8.270 nan 0.000 0.422 612 R N 0.675 121.156 120.500 -0.031 0.000 2.070 612 R HA -0.149 4.191 4.340 -0.000 0.000 0.233 612 R C 2.306 178.493 176.300 -0.188 0.000 1.137 612 R CA 1.813 57.908 56.100 -0.009 0.000 0.945 612 R CB -0.243 30.093 30.300 0.060 0.000 0.845 612 R HN 0.316 nan 8.270 nan 0.000 0.430 613 V N -1.665 118.133 119.914 -0.193 0.000 2.626 613 V HA 0.016 4.136 4.120 -0.000 0.000 0.252 613 V C 2.245 178.076 176.094 -0.439 0.000 1.067 613 V CA 1.497 63.599 62.300 -0.329 0.000 1.081 613 V CB -0.872 30.858 31.823 -0.154 0.000 0.686 613 V HN 0.382 nan 8.190 nan 0.000 0.468 614 A N 0.981 123.626 122.820 -0.291 0.000 1.872 614 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 614 A C 2.490 179.873 177.584 -0.336 0.000 1.187 614 A CA 2.048 53.919 52.037 -0.278 0.000 0.614 614 A CB -1.108 17.826 19.000 -0.109 0.000 0.826 614 A HN 0.871 nan 8.150 nan 0.000 0.442 615 A N -0.467 122.187 122.820 -0.276 0.000 1.972 615 A HA 0.128 4.448 4.320 -0.000 0.000 0.219 615 A C 2.343 179.658 177.584 -0.448 0.000 1.169 615 A CA 1.903 53.800 52.037 -0.234 0.000 0.635 615 A CB -1.270 17.682 19.000 -0.080 0.000 0.810 615 A HN 0.697 nan 8.150 nan 0.000 0.446 616 G N -0.924 107.338 108.800 -0.896 0.000 2.402 616 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.216 616 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.216 616 G C 1.615 175.903 174.900 -1.020 0.000 1.162 616 G CA 1.125 45.275 45.100 -1.583 0.000 0.777 616 G HN 0.471 nan 8.290 nan 0.000 0.539 617 V N 0.675 120.099 119.914 -0.817 0.000 2.358 617 V HA 0.005 4.125 4.120 -0.000 0.000 0.246 617 V C 2.812 178.699 176.094 -0.346 0.000 1.047 617 V CA 1.445 63.451 62.300 -0.490 0.000 1.035 617 V CB -0.218 31.113 31.823 -0.820 0.000 0.658 617 V HN 0.390 nan 8.190 nan 0.000 0.452 618 L N -0.465 120.556 121.223 -0.337 0.000 2.201 618 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 618 L C 2.709 179.532 176.870 -0.079 0.000 1.105 618 L CA 1.543 56.298 54.840 -0.141 0.000 0.775 618 L CB -0.708 41.298 42.059 -0.088 0.000 0.913 618 L HN 0.585 nan 8.230 nan 0.000 0.440 619 C N 0.016 119.247 119.300 -0.115 0.000 2.440 619 C HA -0.098 4.362 4.460 -0.000 0.000 0.278 619 C C 2.748 177.749 174.990 0.019 0.000 1.295 619 C CA 0.661 59.669 59.018 -0.017 0.000 1.738 619 C CB -0.427 27.319 27.740 0.010 0.000 1.987 619 C HN 0.466 nan 8.230 nan 0.000 0.492 620 E N 0.771 120.971 120.200 0.001 0.000 2.072 620 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 620 E C 2.205 178.816 176.600 0.018 0.000 0.982 620 E CA 1.047 57.463 56.400 0.025 0.000 0.803 620 E CB -0.560 29.157 29.700 0.029 0.000 0.755 620 E HN 0.686 nan 8.360 nan 0.000 0.453 621 L N 0.593 121.819 121.223 0.005 0.000 2.131 621 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 621 L C 2.431 179.322 176.870 0.035 0.000 1.092 621 L CA 1.015 55.871 54.840 0.026 0.000 0.759 621 L CB -0.521 41.566 42.059 0.046 0.000 0.903 621 L HN 0.041 nan 8.230 nan 0.000 0.435 622 A N 0.402 123.242 122.820 0.034 0.000 2.121 622 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 622 A C 2.155 179.771 177.584 0.054 0.000 1.154 622 A CA 1.109 53.173 52.037 0.045 0.000 0.679 622 A CB -0.514 18.516 19.000 0.050 0.000 0.795 622 A HN 0.656 nan 8.150 nan 0.000 0.458 623 Q N -0.360 119.473 119.800 0.056 0.000 2.557 623 Q HA -0.037 4.303 4.340 -0.000 0.000 0.217 623 Q C -0.994 175.036 176.000 0.049 0.000 0.978 623 Q CA 0.717 56.557 55.803 0.062 0.000 0.950 623 Q CB -0.142 28.630 28.738 0.057 0.000 0.991 623 Q HN 0.404 nan 8.270 nan 0.000 0.533 624 D N 0.411 120.835 120.400 0.041 0.000 2.505 624 D HA 0.161 4.801 4.640 -0.000 0.000 0.250 624 D C 0.716 177.033 176.300 0.029 0.000 1.164 624 D CA 0.241 54.261 54.000 0.033 0.000 0.870 624 D CB 1.818 42.636 40.800 0.030 0.000 1.160 624 D HN 0.171 nan 8.370 nan 0.000 0.549 625 K N 1.942 122.356 120.400 0.024 0.000 2.127 625 K HA -0.333 3.987 4.320 -0.000 0.000 0.212 625 K C 1.871 178.481 176.600 0.016 0.000 1.050 625 K CA 2.693 58.990 56.287 0.016 0.000 0.929 625 K CB -1.421 31.085 32.500 0.011 0.000 0.715 625 K HN 0.608 nan 8.250 nan 0.000 0.457 626 E N 0.043 120.254 120.200 0.017 0.000 2.038 626 E HA 0.104 4.454 4.350 -0.000 0.000 0.195 626 E C 2.582 179.194 176.600 0.021 0.000 1.000 626 E CA 2.199 58.609 56.400 0.017 0.000 0.803 626 E CB -1.069 28.641 29.700 0.017 0.000 0.750 626 E HN 1.030 nan 8.360 nan 0.000 0.448 627 A N 0.728 123.564 122.820 0.027 0.000 1.897 627 A HA 0.329 4.649 4.320 -0.000 0.000 0.215 627 A C 2.854 180.458 177.584 0.033 0.000 1.181 627 A CA 2.314 54.372 52.037 0.034 0.000 0.620 627 A CB -0.736 18.289 19.000 0.042 0.000 0.821 627 A HN 1.059 nan 8.150 nan 0.000 0.443 628 A N -0.550 122.288 122.820 0.030 0.000 1.948 628 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 628 A C 2.151 179.747 177.584 0.020 0.000 1.177 628 A CA 2.696 54.749 52.037 0.027 0.000 0.636 628 A CB -1.126 17.888 19.000 0.023 0.000 0.815 628 A HN 0.777 nan 8.150 nan 0.000 0.449 629 E N -0.511 119.698 120.200 0.016 0.000 2.072 629 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 629 E C 2.306 178.915 176.600 0.016 0.000 0.985 629 E CA 1.950 58.357 56.400 0.011 0.000 0.801 629 E CB -1.133 28.572 29.700 0.008 0.000 0.750 629 E HN 1.039 nan 8.360 nan 0.000 0.452 630 A N 0.437 123.269 122.820 0.020 0.000 1.898 630 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 630 A C 2.497 180.099 177.584 0.029 0.000 1.181 630 A CA 1.429 53.479 52.037 0.023 0.000 0.620 630 A CB -0.373 18.641 19.000 0.024 0.000 0.819 630 A HN 0.507 nan 8.150 nan 0.000 0.442 631 I N -0.193 120.398 120.570 0.036 0.000 2.179 631 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 631 I C 3.074 179.212 176.117 0.036 0.000 1.088 631 I CA 1.687 63.013 61.300 0.043 0.000 1.357 631 I CB -0.682 37.344 38.000 0.044 0.000 1.051 631 I HN 0.531 nan 8.210 nan 0.000 0.409 632 E N 1.172 121.388 120.200 0.027 0.000 2.153 632 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 632 E C 2.246 178.860 176.600 0.023 0.000 0.988 632 E CA 1.333 57.746 56.400 0.022 0.000 0.811 632 E CB -0.814 28.893 29.700 0.012 0.000 0.746 632 E HN 0.618 nan 8.360 nan 0.000 0.466 633 A N 0.311 123.143 122.820 0.021 0.000 2.121 633 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 633 A C 2.079 179.678 177.584 0.024 0.000 1.154 633 A CA 1.756 53.804 52.037 0.019 0.000 0.679 633 A CB -0.084 18.925 19.000 0.015 0.000 0.795 633 A HN 0.409 nan 8.150 nan 0.000 0.458 634 E N -0.960 119.259 120.200 0.032 0.000 2.478 634 E HA 0.258 4.608 4.350 -0.000 0.000 0.194 634 E C 0.969 177.602 176.600 0.056 0.000 1.045 634 E CA 0.704 57.127 56.400 0.040 0.000 0.868 634 E CB -0.193 29.534 29.700 0.046 0.000 0.885 634 E HN 0.728 nan 8.360 nan 0.000 0.505 635 G N -0.194 108.638 108.800 0.054 0.000 2.203 635 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.231 635 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.231 635 G C 0.741 175.694 174.900 0.089 0.000 1.058 635 G CA 0.329 45.470 45.100 0.067 0.000 0.781 635 G HN 0.427 nan 8.290 nan 0.000 0.496 636 A N -0.839 122.019 122.820 0.063 0.000 2.208 636 A HA 0.382 4.702 4.320 -0.000 0.000 0.209 636 A C 2.284 179.875 177.584 0.011 0.000 1.161 636 A CA 2.174 54.236 52.037 0.043 0.000 0.782 636 A CB -0.318 18.703 19.000 0.035 0.000 0.816 636 A HN 0.688 nan 8.150 nan 0.000 0.477 637 T N 0.559 115.125 114.554 0.021 0.000 2.674 637 T HA -0.087 4.263 4.350 -0.000 0.000 0.265 637 T C 2.331 177.030 174.700 -0.001 0.000 1.039 637 T CA 1.691 63.797 62.100 0.009 0.000 1.150 637 T CB -0.465 68.412 68.868 0.014 0.000 0.864 637 T HN 0.587 nan 8.240 nan 0.000 0.427 638 A N 2.545 125.374 122.820 0.015 0.000 1.873 638 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 638 A C 0.577 178.134 177.584 -0.046 0.000 1.193 638 A CA 1.693 53.737 52.037 0.011 0.000 0.629 638 A CB -1.644 17.391 19.000 0.059 0.000 0.826 638 A HN 0.456 nan 8.150 nan 0.000 0.447 639 P HA -0.108 nan 4.420 nan 0.000 0.216 639 P C 1.655 178.839 177.300 -0.193 0.000 1.153 639 P CA 0.976 63.888 63.100 -0.313 0.000 0.844 639 P CB -0.203 31.065 31.700 -0.721 0.000 0.787 640 L N -0.497 120.652 121.223 -0.124 0.000 2.046 640 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 640 L C 2.676 179.519 176.870 -0.045 0.000 1.077 640 L CA 2.005 56.802 54.840 -0.071 0.000 0.747 640 L CB -1.638 40.400 42.059 -0.035 0.000 0.896 640 L HN 0.014 nan 8.230 nan 0.000 0.432 641 T N -1.173 113.360 114.554 -0.034 0.000 2.788 641 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 641 T C 1.754 176.439 174.700 -0.026 0.000 1.044 641 T CA 1.562 63.651 62.100 -0.019 0.000 1.139 641 T CB -0.115 68.747 68.868 -0.010 0.000 0.867 641 T HN 0.257 nan 8.240 nan 0.000 0.454 642 E N 1.225 121.399 120.200 -0.043 0.000 2.106 642 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 642 E C 1.863 178.436 176.600 -0.045 0.000 0.984 642 E CA 0.885 57.259 56.400 -0.043 0.000 0.806 642 E CB -0.545 29.119 29.700 -0.060 0.000 0.750 642 E HN 0.457 nan 8.360 nan 0.000 0.458 643 L N 0.353 121.540 121.223 -0.059 0.000 2.456 643 L HA -0.046 4.294 4.340 -0.000 0.000 0.224 643 L C 2.126 178.980 176.870 -0.028 0.000 1.148 643 L CA 0.253 55.064 54.840 -0.048 0.000 0.825 643 L CB -0.293 41.731 42.059 -0.058 0.000 0.937 643 L HN 0.233 nan 8.230 nan 0.000 0.450 644 L N -0.367 120.842 121.223 -0.023 0.000 2.141 644 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 644 L C 3.023 179.883 176.870 -0.016 0.000 1.094 644 L CA 1.483 56.314 54.840 -0.015 0.000 0.763 644 L CB -0.917 41.137 42.059 -0.009 0.000 0.908 644 L HN 0.538 nan 8.230 nan 0.000 0.437 645 H N -1.041 118.019 119.070 -0.016 0.000 2.547 645 H HA 0.175 4.731 4.556 -0.000 0.000 0.266 645 H C 1.556 176.875 175.328 -0.014 0.000 0.988 645 H CA 0.603 56.642 56.048 -0.014 0.000 1.147 645 H CB -0.221 29.535 29.762 -0.011 0.000 1.365 645 H HN 0.230 nan 8.280 nan 0.000 0.589 646 S N 0.163 115.853 115.700 -0.017 0.000 2.552 646 S HA 0.334 4.804 4.470 -0.000 0.000 0.289 646 S C 2.051 176.642 174.600 -0.015 0.000 1.304 646 S CA 0.416 58.606 58.200 -0.016 0.000 1.063 646 S CB 0.488 63.678 63.200 -0.016 0.000 0.848 646 S HN 0.939 nan 8.310 nan 0.000 0.499 647 R N 3.752 124.245 120.500 -0.012 0.000 2.280 647 R HA 0.078 4.418 4.340 -0.000 0.000 0.207 647 R C 0.914 177.206 176.300 -0.014 0.000 1.043 647 R CA 1.169 57.262 56.100 -0.012 0.000 1.006 647 R CB -1.129 29.166 30.300 -0.008 0.000 0.885 647 R HN 0.788 nan 8.270 nan 0.000 0.467 648 N N 0.963 119.656 118.700 -0.012 0.000 2.406 648 N HA 0.093 4.833 4.740 -0.000 0.000 0.251 648 N C 1.173 176.669 175.510 -0.025 0.000 1.069 648 N CA 0.865 53.907 53.050 -0.012 0.000 0.947 648 N CB 1.374 39.860 38.487 -0.002 0.000 1.111 648 N HN 0.504 nan 8.380 nan 0.000 0.497 649 E N 3.301 123.479 120.200 -0.036 0.000 2.097 649 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 649 E C 1.737 178.278 176.600 -0.098 0.000 1.000 649 E CA 1.761 58.124 56.400 -0.061 0.000 0.804 649 E CB -1.170 28.493 29.700 -0.061 0.000 0.740 649 E HN 0.782 nan 8.360 nan 0.000 0.454 650 G N -0.023 108.727 108.800 -0.085 0.000 2.402 650 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 650 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 650 G C 1.964 176.833 174.900 -0.051 0.000 1.162 650 G CA 1.281 46.302 45.100 -0.132 0.000 0.777 650 G HN 0.474 nan 8.290 nan 0.000 0.539 651 V N 1.480 121.409 119.914 0.024 0.000 2.307 651 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 651 V C 3.305 179.411 176.094 0.020 0.000 1.045 651 V CA 1.984 64.317 62.300 0.055 0.000 1.024 651 V CB -0.804 31.031 31.823 0.021 0.000 0.651 651 V HN 0.468 nan 8.190 nan 0.000 0.449 652 A N -0.194 122.613 122.820 -0.021 0.000 1.877 652 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 652 A C 2.412 179.970 177.584 -0.044 0.000 1.186 652 A CA 2.538 54.558 52.037 -0.029 0.000 0.620 652 A CB -1.076 17.902 19.000 -0.037 0.000 0.822 652 A HN 0.487 nan 8.150 nan 0.000 0.443 653 T N -0.971 113.519 114.554 -0.107 0.000 2.652 653 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 653 T C 1.790 176.422 174.700 -0.113 0.000 1.039 653 T CA 1.939 63.942 62.100 -0.161 0.000 1.153 653 T CB -0.497 68.194 68.868 -0.295 0.000 0.863 653 T HN 0.499 nan 8.240 nan 0.000 0.428 654 Y N 1.472 121.746 120.300 -0.043 0.000 2.181 654 Y HA 0.035 4.585 4.550 0.000 0.000 0.288 654 Y C 2.714 178.587 175.900 -0.046 0.000 1.146 654 Y CA 0.209 58.277 58.100 -0.054 0.000 1.164 654 Y CB -1.135 37.269 38.460 -0.093 0.000 0.982 654 Y HN 0.210 nan 8.280 nan 0.000 0.515 655 A N -0.081 122.806 122.820 0.111 0.000 1.902 655 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 655 A C 2.486 180.098 177.584 0.047 0.000 1.181 655 A CA 1.881 53.947 52.037 0.048 0.000 0.623 655 A CB -1.175 17.833 19.000 0.014 0.000 0.818 655 A HN 0.388 nan 8.150 nan 0.000 0.443 656 A N -0.203 122.640 122.820 0.039 0.000 1.898 656 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 656 A C 2.496 180.130 177.584 0.084 0.000 1.181 656 A CA 1.942 54.007 52.037 0.045 0.000 0.620 656 A CB -0.971 18.037 19.000 0.012 0.000 0.819 656 A HN 1.030 nan 8.150 nan 0.000 0.442 657 A N -0.443 122.422 122.820 0.074 0.000 1.902 657 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 657 A C 2.202 179.876 177.584 0.150 0.000 1.181 657 A CA 1.830 53.926 52.037 0.098 0.000 0.623 657 A CB -0.915 18.144 19.000 0.099 0.000 0.818 657 A HN 0.414 nan 8.150 nan 0.000 0.443 658 V N 0.142 120.123 119.914 0.112 0.000 2.427 658 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 658 V C 2.521 178.670 176.094 0.091 0.000 1.051 658 V CA 1.833 64.185 62.300 0.087 0.000 1.048 658 V CB -0.835 31.014 31.823 0.043 0.000 0.666 658 V HN 0.558 nan 8.190 nan 0.000 0.456 659 L N -1.207 120.071 121.223 0.092 0.000 2.083 659 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 659 L C 2.365 179.292 176.870 0.094 0.000 1.083 659 L CA 1.763 56.647 54.840 0.074 0.000 0.752 659 L CB -0.617 41.481 42.059 0.064 0.000 0.899 659 L HN 0.337 nan 8.230 nan 0.000 0.433 660 F N 0.966 120.921 119.950 0.008 0.000 2.102 660 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 660 F C 2.573 178.379 175.800 0.010 0.000 1.105 660 F CA 1.389 59.394 58.000 0.008 0.000 1.239 660 F CB -0.041 38.965 39.000 0.009 0.000 0.991 660 F HN -0.168 nan 8.300 nan 0.000 0.474 661 R N -0.133 120.496 120.500 0.215 0.000 2.193 661 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 661 R C 2.181 178.479 176.300 -0.003 0.000 1.110 661 R CA 1.833 57.999 56.100 0.109 0.000 0.988 661 R CB -1.018 29.361 30.300 0.131 0.000 0.871 661 R HN 0.442 nan 8.270 nan 0.000 0.458 662 M N -1.214 118.381 119.600 -0.010 0.000 2.514 662 M HA 0.294 4.774 4.480 -0.000 0.000 0.258 662 M C 1.958 178.214 176.300 -0.074 0.000 1.119 662 M CA 1.999 57.283 55.300 -0.026 0.000 1.111 662 M CB -1.082 31.516 32.600 -0.003 0.000 1.390 662 M HN 0.301 nan 8.290 nan 0.000 0.475 663 S N 0.277 115.888 115.700 -0.148 0.000 2.685 663 S HA 0.467 4.937 4.470 -0.000 0.000 0.240 663 S C 0.477 174.927 174.600 -0.250 0.000 0.967 663 S CA -0.208 57.873 58.200 -0.198 0.000 1.009 663 S CB -0.108 62.942 63.200 -0.251 0.000 0.776 663 S HN 0.794 nan 8.310 nan 0.000 0.467 664 E N 0.000 120.087 120.200 -0.188 0.000 2.725 664 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 664 E CA 0.000 56.308 56.400 -0.153 0.000 0.976 664 E CB 0.000 29.595 29.700 -0.176 0.000 0.812 664 E HN 0.000 nan 8.360 nan 0.000 0.440