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 1hwi_1_A DATA FIRST_RESID 462 DATA SEQUENCE LSDAEIIQLV NXXXXXXXXL ETLIETHERG VSIRRQLLSK KLSEPSSLQY DATA SEQUENCE LPYRDYNYSL VMGACCENVI GYMPIPVGVA GPLCLDEKEF QVPMATTEGC DATA SEQUENCE LVASTNRGCR AIGLGGGASS RVLADGMTRG PVVRLPRACD SAEVKAWLET DATA SEQUENCE SEGFAVIKEA FDSTSRFARL QKLHTSIAGR NLYIRFQSRS GDAMGMNMIS DATA SEQUENCE KGTEKALSKL HEYFPEMQIL AVSGNYCTDK KPAAINWIEG RGKSVVCEAV DATA SEQUENCE IPAKVVREVL KTTTEAMIEV NINKNLVGSA MAGSIGGYNA HAANIVTAIY DATA SEQUENCE IACGQDAAQN VGSSNCITLM EASGPTNEDL YISCTMPSIE IGTVGGGTNL DATA SEQUENCE LPQQACLQML GVQGACKDNP GENARQLARI VCGTVMAGEL SLMAALAAGH DATA SEQUENCE L 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 462 L HA 0.000 nan 4.340 nan 0.000 0.249 462 L C 0.000 176.870 176.870 -0.000 0.000 1.165 462 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 462 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 463 S N -1.189 114.511 115.700 -0.001 0.000 2.693 463 S HA 0.383 4.853 4.470 -0.001 0.000 0.276 463 S C 0.265 174.864 174.600 -0.001 0.000 1.192 463 S CA -0.574 57.626 58.200 0.001 0.000 0.994 463 S CB 1.791 64.991 63.200 0.001 0.000 1.012 463 S HN 0.638 nan 8.310 nan 0.000 0.550 464 D N 1.367 121.767 120.400 -0.000 0.000 2.104 464 D HA -0.048 4.591 4.640 -0.001 0.000 0.194 464 D C 2.184 178.479 176.300 -0.008 0.000 0.994 464 D CA 2.012 56.010 54.000 -0.004 0.000 0.830 464 D CB -0.901 39.897 40.800 -0.003 0.000 0.959 464 D HN 0.717 nan 8.370 nan 0.000 0.452 465 A N 0.709 123.525 122.820 -0.007 0.000 2.019 465 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 465 A C 1.996 179.576 177.584 -0.008 0.000 1.164 465 A CA 1.411 53.443 52.037 -0.008 0.000 0.644 465 A CB -0.410 18.587 19.000 -0.007 0.000 0.805 465 A HN 0.245 nan 8.150 nan 0.000 0.449 466 E N -0.404 119.792 120.200 -0.006 0.000 2.112 466 E HA -0.042 4.308 4.350 -0.001 0.000 0.190 466 E C 1.811 178.407 176.600 -0.007 0.000 0.979 466 E CA 0.908 57.304 56.400 -0.006 0.000 0.814 466 E CB -0.208 29.489 29.700 -0.004 0.000 0.762 466 E HN 0.712 nan 8.360 nan 0.000 0.460 467 I N 1.163 121.728 120.570 -0.008 0.000 2.315 467 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 467 I C 2.354 178.465 176.117 -0.012 0.000 1.117 467 I CA 0.921 62.215 61.300 -0.009 0.000 1.404 467 I CB -0.239 37.755 38.000 -0.010 0.000 1.071 467 I HN 0.087 nan 8.210 nan 0.000 0.419 468 I N 0.550 121.112 120.570 -0.013 0.000 2.226 468 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 468 I C 2.567 178.677 176.117 -0.013 0.000 1.100 468 I CA 1.550 62.841 61.300 -0.016 0.000 1.374 468 I CB -0.424 37.565 38.000 -0.018 0.000 1.057 468 I HN 0.320 nan 8.210 nan 0.000 0.413 469 Q N 0.023 119.817 119.800 -0.011 0.000 2.226 469 Q HA -0.167 4.173 4.340 -0.001 0.000 0.204 469 Q C 2.258 178.253 176.000 -0.008 0.000 0.975 469 Q CA 0.973 56.770 55.803 -0.009 0.000 0.866 469 Q CB -0.012 28.722 28.738 -0.008 0.000 0.915 469 Q HN 0.445 nan 8.270 nan 0.000 0.440 470 L N 0.274 121.492 121.223 -0.008 0.000 2.156 470 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 470 L C 2.035 178.900 176.870 -0.008 0.000 1.095 470 L CA 1.134 55.970 54.840 -0.007 0.000 0.770 470 L CB -0.423 41.632 42.059 -0.007 0.000 0.914 470 L HN 0.097 nan 8.230 nan 0.000 0.439 471 V N 0.126 120.034 119.914 -0.010 0.000 2.283 471 V HA -0.168 3.951 4.120 -0.001 0.000 0.243 471 V C 1.237 177.325 176.094 -0.010 0.000 1.039 471 V CA 0.739 63.032 62.300 -0.011 0.000 1.016 471 V CB -0.566 31.248 31.823 -0.014 0.000 0.650 471 V HN 0.451 nan 8.190 nan 0.000 0.449 482 E N 0.762 120.988 120.200 0.043 0.000 2.204 482 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 482 E C 1.953 178.574 176.600 0.035 0.000 0.990 482 E CA 2.049 58.499 56.400 0.085 0.000 0.821 482 E CB -0.154 29.665 29.700 0.198 0.000 0.750 482 E HN 0.640 nan 8.360 nan 0.000 0.477 483 T N -1.543 113.028 114.554 0.029 0.000 2.978 483 T HA 0.039 4.388 4.350 -0.001 0.000 0.262 483 T C 1.925 176.623 174.700 -0.002 0.000 1.063 483 T CA 0.375 62.483 62.100 0.014 0.000 1.140 483 T CB -0.257 68.622 68.868 0.018 0.000 0.886 483 T HN 0.119 nan 8.240 nan 0.000 0.470 484 L N 0.308 121.530 121.223 -0.002 0.000 1.993 484 L HA 0.308 4.647 4.340 -0.001 0.000 0.206 484 L C 1.103 177.965 176.870 -0.015 0.000 1.074 484 L CA 0.932 55.767 54.840 -0.007 0.000 0.746 484 L CB -0.205 41.851 42.059 -0.006 0.000 0.896 484 L HN 0.222 nan 8.230 nan 0.000 0.435 485 I N -0.269 120.290 120.570 -0.017 0.000 3.138 485 I HA -0.057 4.113 4.170 -0.001 0.000 0.288 485 I C 1.236 177.325 176.117 -0.046 0.000 1.148 485 I CA -0.361 60.924 61.300 -0.024 0.000 1.315 485 I CB 0.718 38.707 38.000 -0.018 0.000 1.426 485 I HN 0.265 nan 8.210 nan 0.000 0.615 486 E N 0.993 121.165 120.200 -0.047 0.000 1.999 486 E HA -0.039 4.310 4.350 -0.001 0.000 0.198 486 E C 0.728 177.253 176.600 -0.124 0.000 0.960 486 E CA 0.362 56.722 56.400 -0.068 0.000 0.870 486 E CB -0.736 28.939 29.700 -0.041 0.000 0.827 486 E HN 0.622 nan 8.360 nan 0.000 0.511 487 T N -0.657 113.845 114.554 -0.086 0.000 2.855 487 T HA -0.011 4.338 4.350 -0.001 0.000 0.314 487 T C 0.633 175.280 174.700 -0.088 0.000 1.077 487 T CA 0.141 62.184 62.100 -0.094 0.000 1.095 487 T CB 0.185 69.057 68.868 0.006 0.000 0.987 487 T HN 0.270 nan 8.240 nan 0.000 0.546 488 H N 0.793 119.906 119.070 0.072 0.000 2.395 488 H HA 0.079 4.635 4.556 -0.001 0.000 0.299 488 H C 2.205 177.535 175.328 0.003 0.000 1.070 488 H CA 1.476 57.551 56.048 0.045 0.000 1.356 488 H CB 0.198 30.033 29.762 0.121 0.000 1.401 488 H HN 0.773 nan 8.280 nan 0.000 0.524 489 E N 1.136 121.482 120.200 0.244 0.000 2.160 489 E HA -0.230 4.120 4.350 -0.001 0.000 0.195 489 E C 2.261 178.978 176.600 0.194 0.000 0.991 489 E CA 0.833 57.386 56.400 0.255 0.000 0.810 489 E CB 0.112 29.993 29.700 0.302 0.000 0.742 489 E HN 0.326 nan 8.360 nan 0.000 0.466 490 R N -0.611 119.961 120.500 0.120 0.000 2.093 490 R HA -0.045 4.295 4.340 -0.001 0.000 0.224 490 R C 2.326 178.641 176.300 0.025 0.000 1.101 490 R CA 1.077 57.225 56.100 0.079 0.000 0.979 490 R CB -0.293 30.037 30.300 0.050 0.000 0.877 490 R HN 0.240 nan 8.270 nan 0.000 0.441 491 G N 0.141 108.947 108.800 0.011 0.000 2.418 491 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 491 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 491 G C 1.357 176.218 174.900 -0.065 0.000 1.158 491 G CA 0.882 45.972 45.100 -0.017 0.000 0.771 491 G HN 0.195 nan 8.290 nan 0.000 0.545 492 V N 0.801 120.651 119.914 -0.106 0.000 2.343 492 V HA -0.186 3.933 4.120 -0.001 0.000 0.247 492 V C 3.036 178.992 176.094 -0.230 0.000 1.051 492 V CA 2.231 64.419 62.300 -0.186 0.000 1.036 492 V CB -0.440 31.219 31.823 -0.274 0.000 0.654 492 V HN 0.497 nan 8.190 nan 0.000 0.451 493 S N -0.284 115.309 115.700 -0.177 0.000 2.370 493 S HA -0.166 4.303 4.470 -0.001 0.000 0.226 493 S C 1.978 176.476 174.600 -0.171 0.000 1.033 493 S CA 1.510 59.556 58.200 -0.258 0.000 1.011 493 S CB -0.245 62.950 63.200 -0.008 0.000 0.852 493 S HN 0.392 nan 8.310 nan 0.000 0.457 494 I N 1.772 122.285 120.570 -0.095 0.000 2.202 494 I HA -0.084 4.085 4.170 -0.001 0.000 0.242 494 I C 2.662 178.727 176.117 -0.087 0.000 1.091 494 I CA 1.381 62.638 61.300 -0.072 0.000 1.368 494 I CB -1.401 36.574 38.000 -0.043 0.000 1.058 494 I HN 0.413 nan 8.210 nan 0.000 0.410 495 R N 0.959 121.401 120.500 -0.097 0.000 2.091 495 R HA -0.182 4.157 4.340 -0.001 0.000 0.238 495 R C 2.454 178.688 176.300 -0.110 0.000 1.136 495 R CA 1.521 57.566 56.100 -0.091 0.000 0.959 495 R CB -0.078 30.167 30.300 -0.092 0.000 0.856 495 R HN 0.263 nan 8.270 nan 0.000 0.437 496 R N -0.075 120.327 120.500 -0.164 0.000 2.081 496 R HA -0.128 4.212 4.340 -0.001 0.000 0.235 496 R C 2.489 178.710 176.300 -0.132 0.000 1.131 496 R CA 1.929 57.922 56.100 -0.179 0.000 0.960 496 R CB -0.159 29.959 30.300 -0.304 0.000 0.856 496 R HN 0.417 nan 8.270 nan 0.000 0.436 497 Q N 0.009 119.735 119.800 -0.122 0.000 2.119 497 Q HA -0.145 4.194 4.340 -0.001 0.000 0.201 497 Q C 1.908 177.871 176.000 -0.062 0.000 0.972 497 Q CA 1.037 56.790 55.803 -0.083 0.000 0.847 497 Q CB -0.010 28.686 28.738 -0.069 0.000 0.903 497 Q HN 0.154 nan 8.270 nan 0.000 0.433 498 L N 0.105 121.291 121.223 -0.060 0.000 2.027 498 L HA -0.163 4.176 4.340 -0.001 0.000 0.206 498 L C 2.138 178.982 176.870 -0.043 0.000 1.074 498 L CA 1.251 56.064 54.840 -0.045 0.000 0.745 498 L CB -0.920 41.114 42.059 -0.042 0.000 0.898 498 L HN 0.244 nan 8.230 nan 0.000 0.433 499 L N -0.967 120.225 121.223 -0.052 0.000 2.042 499 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 499 L C 2.532 179.378 176.870 -0.041 0.000 1.076 499 L CA 1.637 56.450 54.840 -0.045 0.000 0.749 499 L CB -0.821 41.206 42.059 -0.054 0.000 0.893 499 L HN 0.205 nan 8.230 nan 0.000 0.432 500 S N -0.197 115.474 115.700 -0.048 0.000 2.392 500 S HA -0.277 4.192 4.470 -0.001 0.000 0.232 500 S C 1.851 176.433 174.600 -0.030 0.000 1.041 500 S CA 1.855 60.030 58.200 -0.041 0.000 1.026 500 S CB -0.387 62.785 63.200 -0.048 0.000 0.845 500 S HN 0.527 nan 8.310 nan 0.000 0.465 501 K N 0.798 121.180 120.400 -0.029 0.000 2.097 501 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 501 K C 1.706 178.295 176.600 -0.018 0.000 1.049 501 K CA 1.111 57.385 56.287 -0.022 0.000 0.933 501 K CB -0.095 32.392 32.500 -0.021 0.000 0.717 501 K HN 0.109 nan 8.250 nan 0.000 0.442 502 K N 0.600 120.988 120.400 -0.020 0.000 2.487 502 K HA 0.122 4.442 4.320 -0.001 0.000 0.192 502 K C 0.022 176.613 176.600 -0.014 0.000 1.027 502 K CA 0.226 56.504 56.287 -0.016 0.000 1.054 502 K CB 0.123 32.612 32.500 -0.017 0.000 0.824 502 K HN 0.030 nan 8.250 nan 0.000 0.510 503 L N 0.677 121.891 121.223 -0.016 0.000 2.334 503 L HA 0.139 4.479 4.340 -0.001 0.000 0.277 503 L C 1.314 178.178 176.870 -0.009 0.000 1.075 503 L CA -0.409 54.424 54.840 -0.013 0.000 0.804 503 L CB 1.678 43.728 42.059 -0.015 0.000 1.174 503 L HN 0.097 nan 8.230 nan 0.000 0.438 504 S N 0.512 116.208 115.700 -0.007 0.000 2.481 504 S HA -0.029 4.441 4.470 -0.001 0.000 0.231 504 S C 0.472 175.070 174.600 -0.003 0.000 0.996 504 S CA 0.315 58.513 58.200 -0.005 0.000 0.942 504 S CB -0.162 63.036 63.200 -0.003 0.000 0.768 504 S HN 0.702 nan 8.310 nan 0.000 0.520 505 E N 1.330 121.528 120.200 -0.003 0.000 2.873 505 E HA 0.325 4.674 4.350 -0.001 0.000 0.232 505 E C -2.410 174.188 176.600 -0.003 0.000 1.123 505 E CA -1.972 54.428 56.400 0.000 0.000 0.809 505 E CB 1.631 31.334 29.700 0.005 0.000 1.366 505 E HN 0.118 nan 8.360 nan 0.000 0.400 506 P HA -0.245 nan 4.420 nan 0.000 0.218 506 P C 0.959 178.248 177.300 -0.017 0.000 1.146 506 P CA 1.265 64.357 63.100 -0.014 0.000 0.820 506 P CB 0.183 31.875 31.700 -0.014 0.000 0.778 507 S N -2.930 112.765 115.700 -0.009 0.000 2.660 507 S HA 0.173 4.642 4.470 -0.001 0.000 0.227 507 S C 1.622 176.222 174.600 0.001 0.000 0.948 507 S CA -0.132 58.061 58.200 -0.012 0.000 0.948 507 S CB -0.785 62.413 63.200 -0.004 0.000 0.779 507 S HN -0.056 nan 8.310 nan 0.000 0.487 508 S N 2.105 117.807 115.700 0.004 0.000 2.359 508 S HA -0.026 4.444 4.470 -0.001 0.000 0.224 508 S C 1.441 176.051 174.600 0.016 0.000 1.035 508 S CA 1.200 59.411 58.200 0.018 0.000 1.018 508 S CB -0.441 62.762 63.200 0.005 0.000 0.876 508 S HN 0.443 nan 8.310 nan 0.000 0.448 509 L N 2.005 123.217 121.223 -0.019 0.000 2.549 509 L HA 0.016 4.355 4.340 -0.001 0.000 0.229 509 L C 2.266 179.102 176.870 -0.057 0.000 1.158 509 L CA 1.042 55.858 54.840 -0.040 0.000 0.842 509 L CB -1.103 40.911 42.059 -0.075 0.000 0.952 509 L HN 0.371 nan 8.230 nan 0.000 0.452 510 Q N -0.613 119.136 119.800 -0.086 0.000 2.096 510 Q HA -0.267 4.072 4.340 -0.001 0.000 0.208 510 Q C 1.279 177.075 176.000 -0.340 0.000 0.993 510 Q CA 2.156 57.819 55.803 -0.234 0.000 0.862 510 Q CB -0.190 28.352 28.738 -0.327 0.000 0.915 510 Q HN 0.565 nan 8.270 nan 0.000 0.416 511 Y N -0.204 120.092 120.300 -0.007 0.000 2.470 511 Y HA 0.217 4.766 4.550 -0.002 0.000 0.284 511 Y C 0.200 176.078 175.900 -0.037 0.000 1.188 511 Y CA -0.348 57.743 58.100 -0.014 0.000 1.269 511 Y CB 0.595 39.048 38.460 -0.012 0.000 1.094 511 Y HN 0.148 nan 8.280 nan 0.000 0.518 512 L N 5.003 126.246 121.223 0.034 0.000 2.259 512 L HA 0.338 4.677 4.340 -0.001 0.000 0.288 512 L C -2.410 174.415 176.870 -0.075 0.000 1.051 512 L CA -1.801 53.020 54.840 -0.032 0.000 0.824 512 L CB 0.992 43.029 42.059 -0.035 0.000 1.206 512 L HN -0.046 nan 8.230 nan 0.000 0.429 513 P HA 0.074 nan 4.420 nan 0.000 0.272 513 P C -0.923 176.116 177.300 -0.435 0.000 1.223 513 P CA 0.270 63.157 63.100 -0.354 0.000 0.784 513 P CB 0.852 32.207 31.700 -0.576 0.000 0.923 514 Y N -1.122 119.021 120.300 -0.261 0.000 2.580 514 Y HA 0.371 4.920 4.550 -0.001 0.000 0.290 514 Y C 0.551 176.706 175.900 0.424 0.000 0.981 514 Y CA -0.652 57.519 58.100 0.118 0.000 1.120 514 Y CB -0.028 38.495 38.460 0.105 0.000 1.415 514 Y HN 0.019 nan 8.280 nan 0.000 0.588 515 R N 2.399 122.671 120.500 -0.381 0.000 2.615 515 R HA 0.173 4.512 4.340 -0.001 0.000 0.270 515 R C -0.516 175.843 176.300 0.098 0.000 1.081 515 R CA 0.307 56.253 56.100 -0.256 0.000 1.154 515 R CB 0.072 30.134 30.300 -0.398 0.000 1.063 515 R HN 0.270 nan 8.270 nan 0.000 0.519 516 D N -0.117 120.324 120.400 0.069 0.000 2.800 516 D HA -0.248 4.392 4.640 -0.001 0.000 0.232 516 D C -1.135 175.189 176.300 0.040 0.000 1.137 516 D CA 1.282 55.315 54.000 0.054 0.000 0.718 516 D CB -1.325 39.497 40.800 0.037 0.000 1.084 516 D HN 0.420 nan 8.370 nan 0.000 0.432 517 Y N 0.602 120.832 120.300 -0.117 0.000 2.409 517 Y HA 0.411 4.960 4.550 -0.000 0.000 0.343 517 Y C -0.073 175.588 175.900 -0.399 0.000 0.973 517 Y CA -1.399 56.474 58.100 -0.378 0.000 1.064 517 Y CB 1.205 39.291 38.460 -0.623 0.000 1.207 517 Y HN -0.205 nan 8.280 nan 0.000 0.452 518 N N 4.680 122.799 118.700 -0.968 0.000 2.466 518 N HA 0.021 4.760 4.740 -0.001 0.000 0.263 518 N C -0.375 174.796 175.510 -0.565 0.000 1.178 518 N CA 0.491 53.190 53.050 -0.585 0.000 0.983 518 N CB -0.188 38.011 38.487 -0.481 0.000 1.331 518 N HN 0.715 nan 8.380 nan 0.000 0.500 519 Y N 0.487 120.743 120.300 -0.072 0.000 2.546 519 Y HA -0.080 4.469 4.550 -0.001 0.000 0.287 519 Y C 2.358 178.112 175.900 -0.243 0.000 1.158 519 Y CA 0.441 58.519 58.100 -0.037 0.000 1.307 519 Y CB 0.149 38.627 38.460 0.031 0.000 1.036 519 Y HN 0.567 nan 8.280 nan 0.000 0.532 520 S N -0.388 115.280 115.700 -0.053 0.000 2.399 520 S HA -0.162 4.307 4.470 -0.001 0.000 0.231 520 S C 1.600 176.168 174.600 -0.053 0.000 1.022 520 S CA 1.121 59.285 58.200 -0.060 0.000 0.983 520 S CB -0.520 62.743 63.200 0.105 0.000 0.803 520 S HN 0.310 nan 8.310 nan 0.000 0.480 521 L N 0.889 122.076 121.223 -0.061 0.000 2.418 521 L HA 0.272 4.611 4.340 -0.001 0.000 0.218 521 L C 2.362 179.225 176.870 -0.012 0.000 1.125 521 L CA 0.547 55.361 54.840 -0.043 0.000 0.835 521 L CB -0.463 41.553 42.059 -0.072 0.000 0.953 521 L HN 0.217 nan 8.230 nan 0.000 0.454 522 V N -1.646 118.278 119.914 0.015 0.000 2.426 522 V HA 0.019 4.138 4.120 -0.001 0.000 0.242 522 V C 1.259 177.382 176.094 0.048 0.000 1.036 522 V CA 0.408 62.757 62.300 0.082 0.000 1.044 522 V CB -0.257 31.703 31.823 0.229 0.000 0.688 522 V HN 0.184 nan 8.190 nan 0.000 0.462 523 M N 0.956 120.549 119.600 -0.011 0.000 2.269 523 M HA 0.262 4.742 4.480 -0.001 0.000 0.350 523 M C 1.263 177.556 176.300 -0.011 0.000 1.429 523 M CA 1.020 56.295 55.300 -0.042 0.000 1.063 523 M CB -1.145 31.347 32.600 -0.180 0.000 1.841 523 M HN 0.478 nan 8.290 nan 0.000 0.455 524 G N 2.723 111.529 108.800 0.011 0.000 2.225 524 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.264 524 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.264 524 G C 0.437 175.346 174.900 0.015 0.000 1.060 524 G CA 0.599 45.709 45.100 0.017 0.000 0.833 524 G HN 1.181 nan 8.290 nan 0.000 0.498 525 A N -3.127 119.703 122.820 0.017 0.000 1.586 525 A HA 0.376 4.695 4.320 -0.001 0.000 0.194 525 A C 1.602 179.197 177.584 0.019 0.000 1.991 525 A CA 1.516 53.561 52.037 0.014 0.000 1.590 525 A CB -0.358 18.648 19.000 0.010 0.000 1.564 525 A HN 0.996 nan 8.150 nan 0.000 0.295 526 C N -0.782 118.536 119.300 0.030 0.000 3.123 526 C HA 0.624 5.084 4.460 -0.001 0.000 0.399 526 C C 0.657 175.673 174.990 0.044 0.000 1.320 526 C CA 0.273 59.313 59.018 0.037 0.000 1.949 526 C CB -0.227 27.542 27.740 0.048 0.000 2.692 526 C HN 0.761 nan 8.230 nan 0.000 0.623 527 C N 0.785 120.115 119.300 0.050 0.000 3.307 527 C HA 0.626 5.085 4.460 -0.001 0.000 0.333 527 C C -1.959 173.057 174.990 0.043 0.000 1.291 527 C CA -0.266 58.782 59.018 0.050 0.000 1.273 527 C CB 1.079 28.861 27.740 0.070 0.000 1.580 527 C HN 0.517 nan 8.230 nan 0.000 0.481 528 E N 1.452 121.672 120.200 0.032 0.000 2.378 528 E HA 0.524 4.873 4.350 -0.001 0.000 0.265 528 E C -0.203 176.406 176.600 0.014 0.000 0.932 528 E CA -0.515 55.898 56.400 0.021 0.000 0.795 528 E CB 0.640 30.350 29.700 0.016 0.000 1.296 528 E HN 0.623 nan 8.360 nan 0.000 0.438 529 N N -0.095 118.606 118.700 0.003 0.000 2.716 529 N HA -0.151 4.588 4.740 -0.001 0.000 0.250 529 N C -0.946 174.556 175.510 -0.014 0.000 1.033 529 N CA 0.400 53.445 53.050 -0.010 0.000 0.727 529 N CB -0.884 37.599 38.487 -0.008 0.000 0.950 529 N HN 0.213 nan 8.380 nan 0.000 0.541 530 V N 1.653 121.559 119.914 -0.014 0.000 2.529 530 V HA 0.000 4.120 4.120 -0.001 0.000 0.292 530 V C 1.880 177.942 176.094 -0.053 0.000 1.028 530 V CA 0.465 62.761 62.300 -0.005 0.000 1.074 530 V CB 0.782 32.618 31.823 0.023 0.000 0.958 530 V HN 0.342 nan 8.190 nan 0.000 0.481 531 I N 1.373 121.928 120.570 -0.025 0.000 4.147 531 I HA 0.751 4.921 4.170 -0.001 0.000 0.329 531 I C 0.660 176.763 176.117 -0.023 0.000 1.424 531 I CA 0.309 61.568 61.300 -0.068 0.000 1.127 531 I CB 0.487 38.443 38.000 -0.073 0.000 1.128 531 I HN 0.743 nan 8.210 nan 0.000 0.417 532 G N 1.625 110.485 108.800 0.101 0.000 2.334 532 G HA2 0.183 4.142 3.960 -0.001 0.000 0.249 532 G HA3 0.183 4.142 3.960 -0.001 0.000 0.249 532 G C -1.848 173.160 174.900 0.180 0.000 1.327 532 G CA -0.230 44.981 45.100 0.185 0.000 0.979 532 G HN 0.434 nan 8.290 nan 0.000 0.471 533 Y N -2.422 117.876 120.300 -0.003 0.000 2.588 533 Y HA 0.870 5.419 4.550 -0.001 0.000 0.343 533 Y C -0.557 175.301 175.900 -0.070 0.000 1.065 533 Y CA -1.821 56.195 58.100 -0.140 0.000 1.038 533 Y CB 1.994 40.187 38.460 -0.444 0.000 1.297 533 Y HN 0.782 nan 8.280 nan 0.000 0.467 534 M N 3.996 123.669 119.600 0.121 0.000 2.114 534 M HA 0.614 5.094 4.480 -0.001 0.000 0.332 534 M C -3.039 173.342 176.300 0.134 0.000 1.014 534 M CA -2.636 52.709 55.300 0.076 0.000 0.956 534 M CB 1.029 33.654 32.600 0.042 0.000 1.551 534 M HN 0.499 nan 8.290 nan 0.000 0.427 535 P HA 0.366 nan 4.420 nan 0.000 0.282 535 P C -1.261 176.086 177.300 0.077 0.000 1.262 535 P CA -0.240 62.944 63.100 0.140 0.000 0.773 535 P CB 0.396 32.188 31.700 0.155 0.000 0.879 536 I N 4.978 125.586 120.570 0.062 0.000 2.362 536 I HA 0.293 4.462 4.170 -0.001 0.000 0.289 536 I C -2.141 173.999 176.117 0.040 0.000 0.994 536 I CA -2.907 58.420 61.300 0.044 0.000 1.158 536 I CB 1.038 39.062 38.000 0.039 0.000 1.315 536 I HN 0.158 nan 8.210 nan 0.000 0.451 537 P HA 0.097 nan 4.420 nan 0.000 0.264 537 P C -0.548 176.769 177.300 0.028 0.000 1.183 537 P CA 0.004 63.122 63.100 0.030 0.000 0.763 537 P CB 0.624 32.339 31.700 0.025 0.000 0.807 538 V N 3.288 123.217 119.914 0.026 0.000 2.409 538 V HA 0.668 4.787 4.120 -0.001 0.000 0.291 538 V C 0.732 176.840 176.094 0.023 0.000 1.020 538 V CA -0.249 62.066 62.300 0.025 0.000 0.848 538 V CB 1.567 33.404 31.823 0.023 0.000 0.990 538 V HN 0.774 nan 8.190 nan 0.000 0.430 539 G N 2.504 111.318 108.800 0.023 0.000 2.568 539 G HA2 0.675 4.634 3.960 -0.001 0.000 0.313 539 G HA3 0.675 4.634 3.960 -0.001 0.000 0.313 539 G C -1.443 173.471 174.900 0.024 0.000 1.227 539 G CA -0.713 44.400 45.100 0.022 0.000 0.979 539 G HN 0.628 nan 8.290 nan 0.000 0.486 540 V N -0.222 119.706 119.914 0.024 0.000 2.604 540 V HA 0.804 4.923 4.120 -0.001 0.000 0.305 540 V C -0.265 175.847 176.094 0.029 0.000 1.043 540 V CA -0.479 61.837 62.300 0.028 0.000 0.888 540 V CB 1.432 33.272 31.823 0.028 0.000 0.995 540 V HN 1.296 nan 8.190 nan 0.000 0.429 541 A N 4.505 127.345 122.820 0.033 0.000 2.331 541 A HA 1.045 5.364 4.320 -0.001 0.000 0.320 541 A C 0.142 177.752 177.584 0.044 0.000 1.138 541 A CA 0.211 52.269 52.037 0.034 0.000 0.790 541 A CB 1.381 20.399 19.000 0.031 0.000 1.206 541 A HN 2.167 nan 8.150 nan 0.000 0.470 542 G N 1.501 110.326 108.800 0.041 0.000 2.359 542 G HA2 0.453 4.412 3.960 -0.001 0.000 0.293 542 G HA3 0.453 4.412 3.960 -0.001 0.000 0.293 542 G C -3.411 171.511 174.900 0.036 0.000 1.300 542 G CA -0.418 44.712 45.100 0.050 0.000 0.888 542 G HN 0.719 nan 8.290 nan 0.000 0.541 543 P HA 0.453 nan 4.420 nan 0.000 0.275 543 P C -0.732 176.606 177.300 0.064 0.000 1.227 543 P CA -0.320 62.807 63.100 0.045 0.000 0.781 543 P CB 1.741 33.450 31.700 0.016 0.000 0.906 544 L N 4.528 125.819 121.223 0.113 0.000 2.259 544 L HA 0.264 4.604 4.340 -0.001 0.000 0.288 544 L C -0.548 176.417 176.870 0.159 0.000 1.051 544 L CA -0.425 54.494 54.840 0.132 0.000 0.824 544 L CB -0.143 42.013 42.059 0.161 0.000 1.206 544 L HN 0.363 nan 8.230 nan 0.000 0.429 545 C N 6.317 125.674 119.300 0.095 0.000 2.383 545 C HA 0.492 4.952 4.460 -0.001 0.000 0.350 545 C C 0.011 175.065 174.990 0.106 0.000 1.173 545 C CA -0.608 58.455 59.018 0.074 0.000 1.645 545 C CB -1.161 26.601 27.740 0.037 0.000 2.221 545 C HN 0.668 nan 8.230 nan 0.000 0.528 546 L N 4.298 125.625 121.223 0.173 0.000 2.409 546 L HA 0.459 4.798 4.340 -0.001 0.000 0.272 546 L C -0.100 176.879 176.870 0.182 0.000 0.980 546 L CA 0.523 55.475 54.840 0.187 0.000 0.826 546 L CB 0.918 43.126 42.059 0.247 0.000 1.268 546 L HN 0.664 nan 8.230 nan 0.000 0.407 547 D N 4.225 124.691 120.400 0.110 0.000 2.689 547 D HA -0.247 4.393 4.640 -0.001 0.000 0.237 547 D C 0.270 176.608 176.300 0.063 0.000 1.148 547 D CA 1.305 55.357 54.000 0.087 0.000 0.656 547 D CB -0.418 40.444 40.800 0.103 0.000 1.050 547 D HN 0.968 nan 8.370 nan 0.000 0.426 548 E N -2.223 118.000 120.200 0.039 0.000 3.286 548 E HA -0.261 4.088 4.350 -0.001 0.000 0.292 548 E C -0.005 176.574 176.600 -0.035 0.000 0.928 548 E CA 1.221 57.625 56.400 0.006 0.000 0.982 548 E CB -0.512 29.192 29.700 0.006 0.000 1.500 548 E HN 0.515 nan 8.360 nan 0.000 0.441 549 K N 0.238 120.604 120.400 -0.056 0.000 2.400 549 K HA 0.528 4.848 4.320 -0.001 0.000 0.246 549 K C -0.563 175.857 176.600 -0.300 0.000 0.995 549 K CA -0.747 55.401 56.287 -0.232 0.000 0.840 549 K CB 1.849 34.132 32.500 -0.361 0.000 1.293 549 K HN -0.044 nan 8.250 nan 0.000 0.445 550 E N 1.446 121.376 120.200 -0.450 0.000 2.176 550 E HA 0.360 4.710 4.350 -0.001 0.000 0.267 550 E C -1.270 175.043 176.600 -0.478 0.000 0.893 550 E CA -0.537 55.684 56.400 -0.299 0.000 0.761 550 E CB 1.301 30.911 29.700 -0.151 0.000 1.133 550 E HN 0.256 nan 8.360 nan 0.000 0.409 551 F N 1.202 121.154 119.950 0.004 0.000 2.532 551 F HA 0.280 4.807 4.527 -0.001 0.000 0.321 551 F C 0.328 176.131 175.800 0.004 0.000 1.089 551 F CA -1.021 56.981 58.000 0.004 0.000 0.926 551 F CB 1.741 40.744 39.000 0.004 0.000 1.168 551 F HN 0.116 nan 8.300 nan 0.000 0.459 552 Q N 2.842 122.758 119.800 0.195 0.000 2.400 552 Q HA 0.368 4.707 4.340 -0.001 0.000 0.255 552 Q C -0.900 175.167 176.000 0.111 0.000 1.008 552 Q CA -0.504 55.366 55.803 0.111 0.000 0.841 552 Q CB 1.966 30.744 28.738 0.067 0.000 1.220 552 Q HN 0.395 nan 8.270 nan 0.000 0.474 553 V N 5.797 125.764 119.914 0.089 0.000 2.385 553 V HA 0.283 4.402 4.120 -0.001 0.000 0.269 553 V C -1.904 174.214 176.094 0.040 0.000 1.043 553 V CA -1.494 60.840 62.300 0.057 0.000 0.906 553 V CB 1.020 32.865 31.823 0.037 0.000 0.995 553 V HN 0.521 nan 8.190 nan 0.000 0.467 554 P HA 0.417 nan 4.420 nan 0.000 0.285 554 P C -1.004 176.313 177.300 0.028 0.000 1.259 554 P CA -0.442 62.676 63.100 0.029 0.000 0.794 554 P CB 1.152 32.868 31.700 0.027 0.000 0.940 555 M N 2.377 121.994 119.600 0.027 0.000 2.165 555 M HA 0.443 4.923 4.480 -0.001 0.000 0.283 555 M C -0.443 175.873 176.300 0.027 0.000 0.978 555 M CA -0.626 54.690 55.300 0.026 0.000 0.948 555 M CB 2.501 35.113 32.600 0.021 0.000 1.599 555 M HN 0.287 nan 8.290 nan 0.000 0.450 556 A N 2.580 125.419 122.820 0.031 0.000 2.279 556 A HA 0.727 5.046 4.320 -0.001 0.000 0.306 556 A C -0.168 177.433 177.584 0.028 0.000 1.300 556 A CA -0.188 51.868 52.037 0.031 0.000 0.925 556 A CB 0.459 19.481 19.000 0.036 0.000 1.152 556 A HN 0.743 nan 8.150 nan 0.000 0.544 557 T N 0.258 114.827 114.554 0.025 0.000 2.853 557 T HA 0.531 4.881 4.350 -0.001 0.000 0.311 557 T C 0.498 175.210 174.700 0.020 0.000 1.307 557 T CA 0.341 62.454 62.100 0.022 0.000 1.019 557 T CB 1.371 70.251 68.868 0.021 0.000 1.264 557 T HN 0.940 nan 8.240 nan 0.000 0.497 558 T N -0.578 113.987 114.554 0.017 0.000 3.132 558 T HA 0.381 4.730 4.350 -0.001 0.000 0.274 558 T C 0.264 174.971 174.700 0.012 0.000 1.011 558 T CA -0.311 61.797 62.100 0.014 0.000 0.899 558 T CB -0.010 68.865 68.868 0.012 0.000 1.089 558 T HN 0.572 nan 8.240 nan 0.000 0.543 559 E N 1.548 121.757 120.200 0.015 0.000 2.115 559 E HA 0.507 4.856 4.350 -0.001 0.000 0.282 559 E C 0.506 177.115 176.600 0.016 0.000 0.987 559 E CA -0.776 55.633 56.400 0.015 0.000 0.797 559 E CB 0.554 30.266 29.700 0.020 0.000 1.086 559 E HN 0.484 nan 8.360 nan 0.000 0.397 560 G N 2.549 111.355 108.800 0.010 0.000 2.414 560 G HA2 0.038 3.997 3.960 -0.001 0.000 0.236 560 G HA3 0.038 3.997 3.960 -0.001 0.000 0.236 560 G C 0.582 175.489 174.900 0.012 0.000 1.293 560 G CA 0.015 45.121 45.100 0.009 0.000 0.869 560 G HN 0.949 nan 8.290 nan 0.000 0.556 561 C N 0.968 120.276 119.300 0.014 0.000 5.189 561 C HA -0.196 4.263 4.460 -0.001 0.000 0.253 561 C C 2.320 177.328 174.990 0.029 0.000 1.601 561 C CA 0.575 59.602 59.018 0.016 0.000 1.533 561 C CB -2.126 25.619 27.740 0.009 0.000 2.164 561 C HN 0.860 nan 8.230 nan 0.000 0.604 562 L N 1.502 122.747 121.223 0.037 0.000 1.994 562 L HA -0.039 4.301 4.340 -0.001 0.000 0.208 562 L C 2.301 179.204 176.870 0.054 0.000 1.071 562 L CA 2.643 57.519 54.840 0.060 0.000 0.745 562 L CB -0.669 41.425 42.059 0.058 0.000 0.892 562 L HN 0.311 nan 8.230 nan 0.000 0.431 563 V N 0.217 120.154 119.914 0.037 0.000 2.343 563 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 563 V C 2.816 178.929 176.094 0.031 0.000 1.051 563 V CA 1.646 63.965 62.300 0.031 0.000 1.036 563 V CB -1.349 30.489 31.823 0.025 0.000 0.654 563 V HN 0.631 nan 8.190 nan 0.000 0.451 564 A N -0.668 122.169 122.820 0.028 0.000 1.877 564 A HA -0.250 4.070 4.320 -0.001 0.000 0.216 564 A C 2.575 180.178 177.584 0.030 0.000 1.186 564 A CA 2.331 54.382 52.037 0.024 0.000 0.620 564 A CB -0.868 18.142 19.000 0.018 0.000 0.822 564 A HN 0.494 nan 8.150 nan 0.000 0.443 565 S N -0.974 114.749 115.700 0.038 0.000 2.356 565 S HA -0.153 4.316 4.470 -0.001 0.000 0.223 565 S C 2.063 176.698 174.600 0.059 0.000 1.032 565 S CA 2.284 60.513 58.200 0.048 0.000 1.005 565 S CB -0.666 62.568 63.200 0.056 0.000 0.867 565 S HN 0.615 nan 8.310 nan 0.000 0.449 566 T N 1.891 116.483 114.554 0.063 0.000 2.746 566 T HA -0.071 4.278 4.350 -0.001 0.000 0.267 566 T C 1.769 176.492 174.700 0.038 0.000 1.039 566 T CA 1.532 63.663 62.100 0.051 0.000 1.142 566 T CB -0.709 68.180 68.868 0.036 0.000 0.866 566 T HN 0.492 nan 8.240 nan 0.000 0.444 567 N N 0.992 119.713 118.700 0.035 0.000 2.149 567 N HA -0.082 4.657 4.740 -0.001 0.000 0.188 567 N C 1.903 177.430 175.510 0.029 0.000 1.019 567 N CA 1.122 54.190 53.050 0.030 0.000 0.857 567 N CB -0.171 38.332 38.487 0.027 0.000 0.997 567 N HN 0.306 nan 8.380 nan 0.000 0.426 568 R N -0.605 119.914 120.500 0.031 0.000 2.092 568 R HA -0.036 4.303 4.340 -0.001 0.000 0.231 568 R C 2.078 178.396 176.300 0.030 0.000 1.119 568 R CA 1.491 57.608 56.100 0.029 0.000 0.970 568 R CB -0.609 29.710 30.300 0.031 0.000 0.864 568 R HN 0.316 nan 8.270 nan 0.000 0.440 569 G N 0.013 108.833 108.800 0.035 0.000 2.422 569 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 569 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 569 G C 1.513 176.428 174.900 0.026 0.000 1.146 569 G CA 0.889 46.007 45.100 0.031 0.000 0.769 569 G HN 0.411 nan 8.290 nan 0.000 0.547 570 C N -0.132 119.185 119.300 0.028 0.000 2.429 570 C HA 0.045 4.504 4.460 -0.001 0.000 0.277 570 C C 2.849 177.855 174.990 0.028 0.000 1.262 570 C CA 0.962 59.998 59.018 0.030 0.000 1.733 570 C CB -0.764 26.998 27.740 0.036 0.000 2.010 570 C HN 0.582 nan 8.230 nan 0.000 0.483 571 R N 1.656 122.171 120.500 0.025 0.000 2.083 571 R HA -0.114 4.225 4.340 -0.001 0.000 0.237 571 R C 2.161 178.473 176.300 0.020 0.000 1.137 571 R CA 2.116 58.229 56.100 0.022 0.000 0.951 571 R CB -0.596 29.716 30.300 0.020 0.000 0.851 571 R HN 0.424 nan 8.270 nan 0.000 0.434 572 A N 0.596 123.428 122.820 0.020 0.000 1.902 572 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 572 A C 2.276 179.870 177.584 0.016 0.000 1.181 572 A CA 1.740 53.788 52.037 0.018 0.000 0.623 572 A CB -0.615 18.396 19.000 0.018 0.000 0.818 572 A HN 0.417 nan 8.150 nan 0.000 0.443 573 I N -0.429 120.151 120.570 0.016 0.000 2.226 573 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 573 I C 2.700 178.829 176.117 0.020 0.000 1.100 573 I CA 1.114 62.423 61.300 0.015 0.000 1.374 573 I CB -0.606 37.403 38.000 0.016 0.000 1.057 573 I HN 0.402 nan 8.210 nan 0.000 0.413 574 G N 0.979 109.792 108.800 0.022 0.000 2.418 574 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 574 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 574 G C 1.670 176.580 174.900 0.017 0.000 1.158 574 G CA 0.405 45.517 45.100 0.020 0.000 0.771 574 G HN 0.284 nan 8.290 nan 0.000 0.545 575 L N 0.775 122.007 121.223 0.016 0.000 2.362 575 L HA 0.082 4.421 4.340 -0.001 0.000 0.219 575 L C 2.626 179.506 176.870 0.016 0.000 1.134 575 L CA 0.589 55.438 54.840 0.015 0.000 0.807 575 L CB -0.081 41.987 42.059 0.015 0.000 0.927 575 L HN 0.332 nan 8.230 nan 0.000 0.447 576 G N -1.517 107.294 108.800 0.018 0.000 3.189 576 G HA2 0.328 4.288 3.960 -0.001 0.000 0.225 576 G HA3 0.328 4.288 3.960 -0.001 0.000 0.225 576 G C 1.158 176.072 174.900 0.023 0.000 1.159 576 G CA 0.442 45.554 45.100 0.021 0.000 0.763 576 G HN 0.428 nan 8.290 nan 0.000 0.549 577 G N -1.458 107.355 108.800 0.020 0.000 2.176 577 G HA2 0.310 4.269 3.960 -0.001 0.000 0.232 577 G HA3 0.310 4.269 3.960 -0.001 0.000 0.232 577 G C 0.890 175.805 174.900 0.024 0.000 0.986 577 G CA 0.480 45.593 45.100 0.021 0.000 0.643 577 G HN 2.118 nan 8.290 nan 0.000 0.522 578 G N -1.247 107.568 108.800 0.025 0.000 2.712 578 G HA2 0.497 4.456 3.960 -0.001 0.000 0.683 578 G HA3 0.497 4.456 3.960 -0.001 0.000 0.683 578 G C 0.030 174.949 174.900 0.031 0.000 1.320 578 G CA 0.783 45.901 45.100 0.031 0.000 0.847 578 G HN 2.224 nan 8.290 nan 0.000 0.553 579 A N -0.231 122.611 122.820 0.037 0.000 2.330 579 A HA 0.965 5.285 4.320 -0.001 0.000 0.329 579 A C 0.342 177.951 177.584 0.041 0.000 1.135 579 A CA 0.454 52.509 52.037 0.030 0.000 0.817 579 A CB 1.676 20.688 19.000 0.021 0.000 1.269 579 A HN 1.898 nan 8.150 nan 0.000 0.469 580 S N 0.153 115.874 115.700 0.035 0.000 2.513 580 S HA 0.785 5.254 4.470 -0.001 0.000 0.299 580 S C -0.255 174.364 174.600 0.032 0.000 1.087 580 S CA -0.305 57.920 58.200 0.041 0.000 1.012 580 S CB 1.567 64.795 63.200 0.046 0.000 1.044 580 S HN 1.364 nan 8.310 nan 0.000 0.485 581 S N 2.336 118.055 115.700 0.032 0.000 2.618 581 S HA 0.844 5.313 4.470 -0.001 0.000 0.277 581 S C -1.540 173.072 174.600 0.018 0.000 1.138 581 S CA -1.082 57.130 58.200 0.019 0.000 0.844 581 S CB 1.602 64.807 63.200 0.010 0.000 1.127 581 S HN 0.514 nan 8.310 nan 0.000 0.474 582 R N 0.589 121.095 120.500 0.010 0.000 2.626 582 R HA 0.512 4.852 4.340 -0.001 0.000 0.274 582 R C -1.700 174.600 176.300 -0.001 0.000 1.031 582 R CA -0.675 55.430 56.100 0.007 0.000 0.898 582 R CB 1.819 32.124 30.300 0.008 0.000 1.222 582 R HN 0.624 nan 8.270 nan 0.000 0.455 583 V N 4.848 124.761 119.914 -0.002 0.000 2.406 583 V HA 0.224 4.344 4.120 -0.001 0.000 0.272 583 V C 1.484 177.572 176.094 -0.010 0.000 1.043 583 V CA -0.168 62.129 62.300 -0.006 0.000 0.915 583 V CB 1.176 32.997 31.823 -0.003 0.000 0.988 583 V HN 0.619 nan 8.190 nan 0.000 0.466 584 L N 3.922 125.134 121.223 -0.019 0.000 2.354 584 L HA 0.537 4.876 4.340 -0.001 0.000 0.212 584 L C 0.896 177.750 176.870 -0.028 0.000 1.091 584 L CA 0.790 55.614 54.840 -0.027 0.000 0.828 584 L CB -0.012 42.023 42.059 -0.041 0.000 0.973 584 L HN 0.737 nan 8.230 nan 0.000 0.461 585 A N -0.845 121.960 122.820 -0.024 0.000 2.612 585 A HA 0.609 4.928 4.320 -0.001 0.000 0.293 585 A C -1.940 175.638 177.584 -0.009 0.000 1.075 585 A CA -0.429 51.596 52.037 -0.021 0.000 0.680 585 A CB 1.720 20.698 19.000 -0.037 0.000 1.279 585 A HN -0.055 nan 8.150 nan 0.000 0.411 586 D N -0.145 120.255 120.400 0.001 0.000 2.616 586 D HA 0.565 5.204 4.640 -0.001 0.000 0.238 586 D C -0.555 175.760 176.300 0.024 0.000 1.354 586 D CA 0.857 54.864 54.000 0.013 0.000 0.970 586 D CB 1.523 42.333 40.800 0.017 0.000 1.369 586 D HN 1.502 nan 8.370 nan 0.000 0.585 587 G N 2.450 111.268 108.800 0.030 0.000 2.139 587 G HA2 0.370 4.329 3.960 -0.001 0.000 0.315 587 G HA3 0.370 4.329 3.960 -0.001 0.000 0.315 587 G C -0.952 173.981 174.900 0.055 0.000 1.599 587 G CA -0.884 44.244 45.100 0.046 0.000 0.960 587 G HN 0.355 nan 8.290 nan 0.000 0.615 588 M N 2.449 122.095 119.600 0.076 0.000 2.241 588 M HA 0.755 5.234 4.480 -0.001 0.000 0.335 588 M C 0.771 177.140 176.300 0.115 0.000 1.122 588 M CA -0.246 55.105 55.300 0.086 0.000 1.164 588 M CB 0.955 33.608 32.600 0.089 0.000 1.459 588 M HN 0.856 nan 8.290 nan 0.000 0.461 589 T N 1.495 116.119 114.554 0.117 0.000 2.916 589 T HA 0.890 5.239 4.350 -0.001 0.000 0.292 589 T C -1.036 173.769 174.700 0.176 0.000 1.064 589 T CA -1.006 61.187 62.100 0.154 0.000 1.011 589 T CB 1.682 70.618 68.868 0.114 0.000 1.152 589 T HN 0.755 nan 8.240 nan 0.000 0.510 590 R N -0.224 120.422 120.500 0.243 0.000 2.548 590 R HA 0.657 4.996 4.340 -0.001 0.000 0.280 590 R C -0.610 175.893 176.300 0.338 0.000 1.061 590 R CA -0.471 55.772 56.100 0.238 0.000 0.915 590 R CB 1.624 32.042 30.300 0.196 0.000 1.210 590 R HN 1.156 nan 8.270 nan 0.000 0.442 591 G N 5.424 114.412 108.800 0.313 0.000 4.106 591 G HA2 0.360 4.319 3.960 -0.001 0.000 0.344 591 G HA3 0.360 4.319 3.960 -0.001 0.000 0.344 591 G C -2.523 172.606 174.900 0.382 0.000 1.477 591 G CA -1.205 44.150 45.100 0.426 0.000 1.068 591 G HN 0.458 nan 8.290 nan 0.000 0.488 592 P HA 0.250 nan 4.420 nan 0.000 0.272 592 P C -0.329 177.036 177.300 0.108 0.000 1.240 592 P CA -0.305 62.914 63.100 0.198 0.000 0.791 592 P CB 2.342 34.146 31.700 0.173 0.000 0.978 593 V N 2.311 122.209 119.914 -0.027 0.000 2.487 593 V HA 0.496 4.615 4.120 -0.001 0.000 0.298 593 V C -0.353 175.609 176.094 -0.221 0.000 1.028 593 V CA -0.749 61.361 62.300 -0.317 0.000 0.860 593 V CB 1.471 33.036 31.823 -0.431 0.000 0.991 593 V HN 0.468 nan 8.190 nan 0.000 0.427 594 V N 4.882 124.644 119.914 -0.252 0.000 3.046 594 V HA 0.796 4.916 4.120 -0.001 0.000 0.316 594 V C -0.608 175.377 176.094 -0.182 0.000 1.104 594 V CA -0.995 61.212 62.300 -0.154 0.000 1.006 594 V CB 2.242 34.014 31.823 -0.084 0.000 1.058 594 V HN 0.937 nan 8.190 nan 0.000 0.440 595 R N 2.254 122.683 120.500 -0.118 0.000 2.686 595 R HA 0.720 5.059 4.340 -0.001 0.000 0.283 595 R C -1.627 174.632 176.300 -0.068 0.000 0.978 595 R CA -0.852 55.188 56.100 -0.102 0.000 0.897 595 R CB 2.121 32.376 30.300 -0.076 0.000 1.192 595 R HN 0.564 nan 8.270 nan 0.000 0.457 596 L N 2.100 123.281 121.223 -0.069 0.000 2.286 596 L HA 0.443 4.782 4.340 -0.001 0.000 0.265 596 L C -1.619 175.234 176.870 -0.028 0.000 1.012 596 L CA -2.463 52.348 54.840 -0.048 0.000 0.818 596 L CB 1.529 43.542 42.059 -0.076 0.000 1.337 596 L HN 0.330 nan 8.230 nan 0.000 0.438 597 P HA -0.032 nan 4.420 nan 0.000 0.218 597 P C -0.074 177.221 177.300 -0.008 0.000 1.149 597 P CA 1.287 64.384 63.100 -0.005 0.000 0.817 597 P CB 0.353 32.056 31.700 0.005 0.000 0.785 598 R N -2.667 117.826 120.500 -0.012 0.000 2.836 598 R HA 0.554 4.893 4.340 -0.001 0.000 0.269 598 R C 0.771 177.059 176.300 -0.021 0.000 1.010 598 R CA -0.522 55.571 56.100 -0.012 0.000 0.930 598 R CB 0.589 30.887 30.300 -0.003 0.000 1.218 598 R HN -0.177 nan 8.270 nan 0.000 0.473 599 A N 0.252 123.062 122.820 -0.017 0.000 1.969 599 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 599 A C 1.757 179.328 177.584 -0.021 0.000 1.169 599 A CA 1.401 53.425 52.037 -0.021 0.000 0.635 599 A CB -0.596 18.397 19.000 -0.012 0.000 0.810 599 A HN 0.711 nan 8.150 nan 0.000 0.445 600 C N -0.075 119.218 119.300 -0.011 0.000 2.419 600 C HA -0.068 4.391 4.460 -0.001 0.000 0.281 600 C C 2.149 177.135 174.990 -0.008 0.000 1.336 600 C CA 0.910 59.926 59.018 -0.003 0.000 1.770 600 C CB -0.990 26.753 27.740 0.006 0.000 1.929 600 C HN 0.593 nan 8.230 nan 0.000 0.509 601 D N 1.095 121.484 120.400 -0.018 0.000 2.137 601 D HA -0.070 4.569 4.640 -0.001 0.000 0.202 601 D C 2.310 178.550 176.300 -0.100 0.000 0.970 601 D CA 1.743 55.724 54.000 -0.033 0.000 0.837 601 D CB -0.569 40.218 40.800 -0.021 0.000 0.981 601 D HN 0.607 nan 8.370 nan 0.000 0.475 602 S N 1.087 116.728 115.700 -0.099 0.000 2.402 602 S HA -0.031 4.439 4.470 -0.001 0.000 0.229 602 S C 2.188 176.720 174.600 -0.113 0.000 1.021 602 S CA 0.996 59.115 58.200 -0.136 0.000 0.974 602 S CB -0.242 62.893 63.200 -0.109 0.000 0.800 602 S HN 0.223 nan 8.310 nan 0.000 0.484 603 A N 1.884 124.665 122.820 -0.065 0.000 1.930 603 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 603 A C 2.205 179.776 177.584 -0.022 0.000 1.175 603 A CA 1.521 53.536 52.037 -0.036 0.000 0.627 603 A CB -0.784 18.207 19.000 -0.014 0.000 0.815 603 A HN 0.699 nan 8.150 nan 0.000 0.443 604 E N -0.051 120.136 120.200 -0.022 0.000 2.077 604 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 604 E C 1.839 178.439 176.600 -0.000 0.000 0.989 604 E CA 1.500 57.920 56.400 0.034 0.000 0.800 604 E CB -0.117 29.629 29.700 0.076 0.000 0.746 604 E HN 0.324 nan 8.360 nan 0.000 0.452 605 V N 1.640 121.403 119.914 -0.252 0.000 2.343 605 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 605 V C 2.549 178.599 176.094 -0.074 0.000 1.051 605 V CA 2.094 64.121 62.300 -0.454 0.000 1.036 605 V CB -0.569 30.811 31.823 -0.739 0.000 0.654 605 V HN 0.280 nan 8.190 nan 0.000 0.451 606 K N 0.392 120.755 120.400 -0.061 0.000 2.026 606 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 606 K C 2.209 178.840 176.600 0.051 0.000 1.048 606 K CA 1.682 57.962 56.287 -0.011 0.000 0.929 606 K CB -0.345 32.132 32.500 -0.038 0.000 0.713 606 K HN 0.421 nan 8.250 nan 0.000 0.439 607 A N 0.342 123.205 122.820 0.071 0.000 1.933 607 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 607 A C 1.920 179.598 177.584 0.157 0.000 1.175 607 A CA 1.417 53.508 52.037 0.090 0.000 0.628 607 A CB -1.030 18.023 19.000 0.089 0.000 0.814 607 A HN 0.727 nan 8.150 nan 0.000 0.444 608 W N 0.553 121.874 121.300 0.035 0.000 2.358 608 W HA -0.122 4.538 4.660 -0.001 0.000 0.303 608 W C 1.618 178.167 176.519 0.049 0.000 1.208 608 W CA 1.800 59.196 57.345 0.084 0.000 1.274 608 W CB -0.196 29.405 29.460 0.234 0.000 1.138 608 W HN 0.242 nan 8.180 nan 0.000 0.515 609 L N 0.432 121.864 121.223 0.349 0.000 2.362 609 L HA -0.128 4.211 4.340 -0.001 0.000 0.219 609 L C 1.840 178.725 176.870 0.024 0.000 1.134 609 L CA 1.193 56.142 54.840 0.181 0.000 0.807 609 L CB -0.629 41.549 42.059 0.198 0.000 0.927 609 L HN 0.027 nan 8.230 nan 0.000 0.447 610 E N -0.505 119.694 120.200 -0.002 0.000 2.489 610 E HA -0.022 4.327 4.350 -0.001 0.000 0.193 610 E C 0.758 177.302 176.600 -0.093 0.000 1.057 610 E CA 0.178 56.549 56.400 -0.049 0.000 0.866 610 E CB 0.165 29.847 29.700 -0.030 0.000 0.916 610 E HN 0.461 nan 8.360 nan 0.000 0.500 611 T N -1.659 112.809 114.554 -0.143 0.000 2.913 611 T HA 0.121 4.470 4.350 -0.001 0.000 0.287 611 T C 1.480 176.082 174.700 -0.163 0.000 1.008 611 T CA -0.229 61.767 62.100 -0.172 0.000 1.067 611 T CB 1.805 70.523 68.868 -0.250 0.000 0.996 611 T HN -0.018 nan 8.240 nan 0.000 0.513 612 S N 1.225 116.853 115.700 -0.121 0.000 2.382 612 S HA -0.179 4.291 4.470 -0.001 0.000 0.228 612 S C 1.737 176.295 174.600 -0.071 0.000 1.027 612 S CA 0.954 59.114 58.200 -0.065 0.000 0.991 612 S CB -0.578 62.589 63.200 -0.054 0.000 0.823 612 S HN 0.874 nan 8.310 nan 0.000 0.469 613 E N 2.029 122.133 120.200 -0.161 0.000 2.072 613 E HA -0.021 4.328 4.350 -0.001 0.000 0.191 613 E C 2.269 178.630 176.600 -0.398 0.000 0.985 613 E CA 1.242 57.518 56.400 -0.207 0.000 0.801 613 E CB -1.412 28.176 29.700 -0.186 0.000 0.750 613 E HN 0.587 nan 8.360 nan 0.000 0.452 614 G N 1.006 109.381 108.800 -0.707 0.000 2.421 614 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.216 614 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.216 614 G C 1.421 175.974 174.900 -0.579 0.000 1.171 614 G CA 0.817 45.115 45.100 -1.337 0.000 0.775 614 G HN 0.313 nan 8.290 nan 0.000 0.543 615 F N 2.413 122.133 119.950 -0.382 0.000 2.234 615 F HA 0.145 4.671 4.527 -0.001 0.000 0.299 615 F C 2.724 178.458 175.800 -0.109 0.000 1.087 615 F CA 1.099 58.992 58.000 -0.179 0.000 1.340 615 F CB -0.127 38.785 39.000 -0.145 0.000 1.031 615 F HN 0.229 nan 8.300 nan 0.000 0.500 616 A N 0.359 123.134 122.820 -0.075 0.000 1.877 616 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 616 A C 2.332 179.843 177.584 -0.122 0.000 1.186 616 A CA 2.562 54.543 52.037 -0.093 0.000 0.620 616 A CB -1.653 17.331 19.000 -0.027 0.000 0.822 616 A HN 0.465 nan 8.150 nan 0.000 0.443 617 V N -1.886 117.969 119.914 -0.099 0.000 2.427 617 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 617 V C 2.161 178.282 176.094 0.045 0.000 1.051 617 V CA 1.674 63.979 62.300 0.008 0.000 1.048 617 V CB -0.920 30.944 31.823 0.068 0.000 0.666 617 V HN 0.410 nan 8.190 nan 0.000 0.456 618 I N 0.894 121.468 120.570 0.006 0.000 2.252 618 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 618 I C 2.621 178.749 176.117 0.018 0.000 1.102 618 I CA 2.296 63.649 61.300 0.089 0.000 1.385 618 I CB -1.175 36.896 38.000 0.118 0.000 1.064 618 I HN 0.470 nan 8.210 nan 0.000 0.414 619 K N 1.222 121.468 120.400 -0.258 0.000 2.057 619 K HA -0.244 4.075 4.320 -0.001 0.000 0.207 619 K C 2.098 178.690 176.600 -0.014 0.000 1.049 619 K CA 1.736 57.867 56.287 -0.260 0.000 0.931 619 K CB -0.062 32.102 32.500 -0.559 0.000 0.714 619 K HN 0.275 nan 8.250 nan 0.000 0.440 620 E N -0.183 120.009 120.200 -0.014 0.000 2.051 620 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 620 E C 1.794 178.440 176.600 0.077 0.000 0.991 620 E CA 1.233 57.655 56.400 0.037 0.000 0.799 620 E CB -0.177 29.545 29.700 0.035 0.000 0.748 620 E HN 0.447 nan 8.360 nan 0.000 0.449 621 A N 0.441 123.323 122.820 0.104 0.000 1.873 621 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 621 A C 2.040 179.686 177.584 0.103 0.000 1.186 621 A CA 1.259 53.359 52.037 0.105 0.000 0.616 621 A CB -0.938 18.143 19.000 0.134 0.000 0.823 621 A HN 0.504 nan 8.150 nan 0.000 0.442 622 F N 1.201 121.159 119.950 0.012 0.000 2.069 622 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 622 F C 1.733 177.534 175.800 0.001 0.000 1.113 622 F CA 2.286 60.287 58.000 0.002 0.000 1.214 622 F CB -0.138 38.884 39.000 0.037 0.000 0.978 622 F HN 0.244 nan 8.300 nan 0.000 0.474 623 D N -0.379 120.204 120.400 0.306 0.000 2.263 623 D HA -0.145 4.495 4.640 -0.001 0.000 0.208 623 D C 2.429 178.762 176.300 0.056 0.000 0.971 623 D CA 1.349 55.465 54.000 0.194 0.000 0.867 623 D CB -0.548 40.343 40.800 0.151 0.000 0.929 623 D HN 0.376 nan 8.370 nan 0.000 0.492 624 S N -0.389 115.326 115.700 0.026 0.000 2.507 624 S HA -0.124 4.345 4.470 -0.001 0.000 0.235 624 S C 1.831 176.410 174.600 -0.036 0.000 0.988 624 S CA 1.333 59.530 58.200 -0.005 0.000 0.944 624 S CB -0.710 62.491 63.200 0.003 0.000 0.762 624 S HN 0.336 nan 8.310 nan 0.000 0.526 625 T N -1.910 112.599 114.554 -0.075 0.000 3.088 625 T HA 0.308 4.657 4.350 -0.001 0.000 0.259 625 T C 0.614 175.278 174.700 -0.061 0.000 1.122 625 T CA 0.384 62.425 62.100 -0.097 0.000 1.095 625 T CB -0.170 68.585 68.868 -0.188 0.000 0.930 625 T HN 0.414 nan 8.240 nan 0.000 0.508 626 S N -0.962 114.716 115.700 -0.037 0.000 2.578 626 S HA 0.470 4.939 4.470 -0.001 0.000 0.272 626 S C -0.257 174.314 174.600 -0.049 0.000 1.145 626 S CA -0.856 57.340 58.200 -0.007 0.000 0.835 626 S CB 1.253 64.491 63.200 0.063 0.000 1.104 626 S HN 0.067 nan 8.310 nan 0.000 0.458 627 R N 1.234 121.630 120.500 -0.174 0.000 2.115 627 R HA 0.233 4.572 4.340 -0.001 0.000 0.226 627 R C 1.029 177.068 176.300 -0.435 0.000 1.100 627 R CA 1.745 57.612 56.100 -0.389 0.000 0.980 627 R CB -0.449 29.444 30.300 -0.679 0.000 0.875 627 R HN 0.644 nan 8.270 nan 0.000 0.445 628 F N -0.233 119.739 119.950 0.036 0.000 2.776 628 F HA 0.365 4.891 4.527 -0.001 0.000 0.300 628 F C 0.796 176.644 175.800 0.081 0.000 1.116 628 F CA -0.323 57.706 58.000 0.049 0.000 1.375 628 F CB 0.086 39.108 39.000 0.037 0.000 1.109 628 F HN -0.140 nan 8.300 nan 0.000 0.585 629 A N 1.288 124.240 122.820 0.221 0.000 2.437 629 A HA 0.578 4.898 4.320 -0.001 0.000 0.303 629 A C -0.083 177.674 177.584 0.288 0.000 1.324 629 A CA -0.272 51.926 52.037 0.268 0.000 0.983 629 A CB -0.302 18.806 19.000 0.180 0.000 1.142 629 A HN 0.173 nan 8.150 nan 0.000 0.541 630 R N 1.965 122.620 120.500 0.258 0.000 2.358 630 R HA 0.350 4.689 4.340 -0.001 0.000 0.309 630 R C -0.843 175.514 176.300 0.094 0.000 1.026 630 R CA -0.611 55.591 56.100 0.170 0.000 0.909 630 R CB 0.926 31.296 30.300 0.118 0.000 1.153 630 R HN 0.666 nan 8.270 nan 0.000 0.515 631 L N 2.959 124.165 121.223 -0.028 0.000 2.534 631 L HA 0.005 4.345 4.340 -0.001 0.000 0.271 631 L C 0.709 177.585 176.870 0.010 0.000 1.178 631 L CA 0.973 55.659 54.840 -0.256 0.000 0.907 631 L CB 0.686 42.419 42.059 -0.544 0.000 1.164 631 L HN 0.601 nan 8.230 nan 0.000 0.482 632 Q N 4.236 124.062 119.800 0.043 0.000 2.226 632 Q HA 0.120 4.460 4.340 -0.001 0.000 0.199 632 Q C -0.102 175.980 176.000 0.137 0.000 0.945 632 Q CA 1.048 56.911 55.803 0.100 0.000 0.861 632 Q CB 0.186 28.951 28.738 0.045 0.000 0.953 632 Q HN 0.810 nan 8.270 nan 0.000 0.490 633 K N -1.358 119.109 120.400 0.112 0.000 2.617 633 K HA 0.581 4.901 4.320 -0.001 0.000 0.293 633 K C -1.473 175.173 176.600 0.078 0.000 1.034 633 K CA -0.830 55.496 56.287 0.066 0.000 0.884 633 K CB 0.962 33.431 32.500 -0.052 0.000 1.541 633 K HN -0.163 nan 8.250 nan 0.000 0.409 634 L N 1.179 122.420 121.223 0.030 0.000 2.386 634 L HA 0.462 4.801 4.340 -0.001 0.000 0.271 634 L C -1.648 175.247 176.870 0.043 0.000 0.993 634 L CA -0.281 54.541 54.840 -0.031 0.000 0.819 634 L CB 1.683 43.723 42.059 -0.032 0.000 1.294 634 L HN 0.861 nan 8.230 nan 0.000 0.414 635 H N 1.168 120.220 119.070 -0.031 0.000 2.823 635 H HA 0.661 5.216 4.556 -0.001 0.000 0.332 635 H C -0.869 174.534 175.328 0.125 0.000 0.980 635 H CA -0.419 55.656 56.048 0.045 0.000 1.286 635 H CB 1.268 31.069 29.762 0.065 0.000 1.541 635 H HN 0.648 nan 8.280 nan 0.000 0.521 636 T N 1.638 116.024 114.554 -0.281 0.000 2.888 636 T HA 0.633 4.982 4.350 -0.001 0.000 0.284 636 T C -0.473 174.044 174.700 -0.305 0.000 1.017 636 T CA -0.965 61.008 62.100 -0.211 0.000 1.022 636 T CB 1.633 70.425 68.868 -0.127 0.000 1.013 636 T HN 0.468 nan 8.240 nan 0.000 0.465 637 S N 1.927 117.482 115.700 -0.243 0.000 2.548 637 S HA 0.648 5.117 4.470 -0.001 0.000 0.276 637 S C -1.004 173.544 174.600 -0.087 0.000 1.129 637 S CA -0.924 57.161 58.200 -0.190 0.000 0.931 637 S CB 0.707 63.761 63.200 -0.243 0.000 1.068 637 S HN 0.758 nan 8.310 nan 0.000 0.480 638 I N 3.177 123.722 120.570 -0.043 0.000 2.437 638 I HA 0.664 4.833 4.170 -0.001 0.000 0.298 638 I C 0.038 176.177 176.117 0.037 0.000 0.984 638 I CA -0.716 60.582 61.300 -0.004 0.000 1.214 638 I CB 1.862 39.846 38.000 -0.027 0.000 1.365 638 I HN 0.807 nan 8.210 nan 0.000 0.469 639 A N 4.874 127.740 122.820 0.076 0.000 2.815 639 A HA 0.654 4.973 4.320 -0.001 0.000 0.318 639 A C 0.294 177.907 177.584 0.049 0.000 1.186 639 A CA 0.128 52.214 52.037 0.081 0.000 0.754 639 A CB 0.374 19.471 19.000 0.162 0.000 1.151 639 A HN 1.081 nan 8.150 nan 0.000 0.452 640 G N 2.817 111.629 108.800 0.020 0.000 2.561 640 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.289 640 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.289 640 G C 1.075 175.969 174.900 -0.010 0.000 1.169 640 G CA 0.829 45.933 45.100 0.007 0.000 0.980 640 G HN 1.629 nan 8.290 nan 0.000 0.550 641 R N 1.232 121.722 120.500 -0.017 0.000 2.313 641 R HA 0.173 4.513 4.340 -0.001 0.000 0.199 641 R C 0.240 176.499 176.300 -0.068 0.000 0.958 641 R CA 0.572 56.649 56.100 -0.038 0.000 1.047 641 R CB -0.231 30.051 30.300 -0.030 0.000 0.955 641 R HN 0.345 nan 8.270 nan 0.000 0.481 642 N N 1.322 119.981 118.700 -0.068 0.000 2.524 642 N HA 0.257 4.996 4.740 -0.001 0.000 0.283 642 N C -1.386 174.007 175.510 -0.195 0.000 1.142 642 N CA -0.530 52.426 53.050 -0.157 0.000 0.984 642 N CB 1.652 40.072 38.487 -0.112 0.000 1.155 642 N HN 0.112 nan 8.380 nan 0.000 0.467 643 L N 2.599 123.619 121.223 -0.339 0.000 2.406 643 L HA 0.457 4.796 4.340 -0.001 0.000 0.272 643 L C -1.830 174.767 176.870 -0.456 0.000 0.980 643 L CA -0.628 54.047 54.840 -0.276 0.000 0.831 643 L CB 0.785 42.731 42.059 -0.189 0.000 1.253 643 L HN 0.422 nan 8.230 nan 0.000 0.406 644 Y N 5.682 125.827 120.300 -0.259 0.000 2.328 644 Y HA 0.632 5.182 4.550 -0.001 0.000 0.337 644 Y C -0.080 175.674 175.900 -0.244 0.000 1.008 644 Y CA -0.453 57.443 58.100 -0.339 0.000 1.129 644 Y CB 1.394 39.354 38.460 -0.833 0.000 1.185 644 Y HN 0.399 nan 8.280 nan 0.000 0.476 645 I N 4.237 124.864 120.570 0.095 0.000 2.410 645 I HA 0.405 4.574 4.170 -0.001 0.000 0.286 645 I C -0.298 175.996 176.117 0.294 0.000 1.009 645 I CA -0.833 60.532 61.300 0.109 0.000 1.111 645 I CB 1.679 39.698 38.000 0.032 0.000 1.262 645 I HN 0.466 nan 8.210 nan 0.000 0.443 646 R N 6.240 126.918 120.500 0.296 0.000 2.204 646 R HA 0.441 4.780 4.340 -0.001 0.000 0.341 646 R C -1.364 175.016 176.300 0.133 0.000 1.035 646 R CA -0.507 55.787 56.100 0.324 0.000 0.887 646 R CB 0.507 30.985 30.300 0.298 0.000 1.114 646 R HN 0.334 nan 8.270 nan 0.000 0.473 647 F N 2.468 122.515 119.950 0.163 0.000 2.410 647 F HA 0.238 4.765 4.527 -0.001 0.000 0.348 647 F C 0.599 176.427 175.800 0.047 0.000 1.106 647 F CA -0.005 58.041 58.000 0.078 0.000 1.163 647 F CB 1.420 40.488 39.000 0.112 0.000 1.129 647 F HN 0.386 nan 8.300 nan 0.000 0.516 648 Q N 2.446 122.319 119.800 0.121 0.000 2.337 648 Q HA 0.620 4.959 4.340 -0.001 0.000 0.270 648 Q C -1.181 174.835 176.000 0.026 0.000 1.043 648 Q CA -0.500 55.354 55.803 0.085 0.000 0.794 648 Q CB 1.978 30.747 28.738 0.052 0.000 1.281 648 Q HN 0.728 nan 8.270 nan 0.000 0.446 649 S N 2.710 118.456 115.700 0.076 0.000 2.570 649 S HA 0.572 5.041 4.470 -0.001 0.000 0.270 649 S C -1.228 173.446 174.600 0.124 0.000 1.149 649 S CA -0.829 57.423 58.200 0.086 0.000 0.837 649 S CB 1.263 64.544 63.200 0.135 0.000 1.124 649 S HN 0.648 nan 8.310 nan 0.000 0.465 650 R N 1.217 121.790 120.500 0.122 0.000 2.637 650 R HA 0.443 4.782 4.340 -0.001 0.000 0.269 650 R C 0.349 176.740 176.300 0.151 0.000 1.089 650 R CA 0.294 56.464 56.100 0.116 0.000 1.177 650 R CB 0.772 31.139 30.300 0.110 0.000 1.091 650 R HN 0.878 nan 8.270 nan 0.000 0.540 651 S N -1.644 114.128 115.700 0.120 0.000 3.022 651 S HA 0.235 4.704 4.470 -0.001 0.000 0.247 651 S C 0.692 175.307 174.600 0.024 0.000 0.845 651 S CA -0.018 58.251 58.200 0.115 0.000 1.104 651 S CB 0.226 63.473 63.200 0.079 0.000 1.228 651 S HN 1.057 nan 8.310 nan 0.000 0.532 652 G N 2.933 111.767 108.800 0.057 0.000 2.574 652 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.286 652 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.286 652 G C 0.026 174.858 174.900 -0.113 0.000 1.212 652 G CA 0.688 45.740 45.100 -0.080 0.000 0.979 652 G HN 0.471 nan 8.290 nan 0.000 0.557 653 D N 1.973 122.251 120.400 -0.203 0.000 2.340 653 D HA 0.421 5.060 4.640 -0.001 0.000 0.217 653 D C 1.238 177.459 176.300 -0.132 0.000 1.081 653 D CA 0.819 54.736 54.000 -0.137 0.000 0.842 653 D CB 0.252 40.972 40.800 -0.133 0.000 0.934 653 D HN 0.741 nan 8.370 nan 0.000 0.511 654 A N 0.947 123.678 122.820 -0.148 0.000 2.302 654 A HA 0.241 4.561 4.320 -0.001 0.000 0.285 654 A C 1.279 178.825 177.584 -0.063 0.000 1.105 654 A CA -0.446 51.526 52.037 -0.108 0.000 0.816 654 A CB 1.224 20.156 19.000 -0.113 0.000 1.067 654 A HN -0.006 nan 8.150 nan 0.000 0.489 655 M N 1.414 120.980 119.600 -0.056 0.000 2.149 655 M HA -0.062 4.418 4.480 -0.001 0.000 0.261 655 M C 1.398 177.697 176.300 -0.001 0.000 1.064 655 M CA 2.584 57.864 55.300 -0.035 0.000 1.102 655 M CB -0.786 31.787 32.600 -0.044 0.000 1.369 655 M HN 1.686 nan 8.290 nan 0.000 0.408 656 G N -0.828 107.972 108.800 -0.000 0.000 2.175 656 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.244 656 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.244 656 G C 0.811 175.737 174.900 0.044 0.000 0.982 656 G CA 0.642 45.760 45.100 0.029 0.000 0.641 656 G HN 0.389 nan 8.290 nan 0.000 0.527 657 M N 0.622 120.243 119.600 0.034 0.000 2.080 657 M HA -0.065 4.414 4.480 -0.001 0.000 0.260 657 M C 2.328 178.644 176.300 0.026 0.000 1.068 657 M CA 1.825 57.149 55.300 0.040 0.000 1.109 657 M CB -1.212 31.408 32.600 0.034 0.000 1.342 657 M HN 0.370 nan 8.290 nan 0.000 0.405 658 N N -0.003 118.703 118.700 0.011 0.000 2.106 658 N HA -0.132 4.607 4.740 -0.001 0.000 0.188 658 N C 1.800 177.300 175.510 -0.017 0.000 1.029 658 N CA 1.227 54.275 53.050 -0.004 0.000 0.848 658 N CB -0.341 38.142 38.487 -0.006 0.000 1.007 658 N HN 0.388 nan 8.380 nan 0.000 0.423 659 M N 0.736 120.333 119.600 -0.005 0.000 2.065 659 M HA -0.146 4.333 4.480 -0.001 0.000 0.259 659 M C 1.606 177.871 176.300 -0.059 0.000 1.069 659 M CA 1.460 56.750 55.300 -0.017 0.000 1.110 659 M CB 0.020 32.641 32.600 0.036 0.000 1.328 659 M HN -0.023 nan 8.290 nan 0.000 0.405 660 I N -0.068 120.518 120.570 0.027 0.000 2.286 660 I HA -0.222 3.948 4.170 -0.001 0.000 0.248 660 I C 2.403 178.508 176.117 -0.021 0.000 1.115 660 I CA 1.291 62.650 61.300 0.098 0.000 1.392 660 I CB -1.757 36.367 38.000 0.206 0.000 1.065 660 I HN 0.315 nan 8.210 nan 0.000 0.418 661 S N 0.416 116.098 115.700 -0.030 0.000 2.368 661 S HA -0.176 4.294 4.470 -0.001 0.000 0.224 661 S C 2.036 176.556 174.600 -0.133 0.000 1.029 661 S CA 1.150 59.316 58.200 -0.056 0.000 0.988 661 S CB -0.111 63.076 63.200 -0.022 0.000 0.838 661 S HN 0.407 nan 8.310 nan 0.000 0.462 662 K N 0.849 121.157 120.400 -0.154 0.000 2.025 662 K HA -0.073 4.247 4.320 -0.001 0.000 0.207 662 K C 2.279 178.688 176.600 -0.319 0.000 1.049 662 K CA 1.215 57.392 56.287 -0.184 0.000 0.933 662 K CB -0.549 31.864 32.500 -0.144 0.000 0.714 662 K HN 0.381 nan 8.250 nan 0.000 0.438 663 G N 0.031 108.500 108.800 -0.552 0.000 2.422 663 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.218 663 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.218 663 G C 1.402 175.824 174.900 -0.796 0.000 1.146 663 G CA 1.391 45.844 45.100 -1.079 0.000 0.769 663 G HN 0.318 nan 8.290 nan 0.000 0.547 664 T N 0.981 115.220 114.554 -0.524 0.000 2.708 664 T HA -0.087 4.263 4.350 -0.001 0.000 0.266 664 T C 2.193 176.697 174.700 -0.326 0.000 1.037 664 T CA 1.624 63.421 62.100 -0.504 0.000 1.146 664 T CB -0.212 68.426 68.868 -0.383 0.000 0.865 664 T HN 0.497 nan 8.240 nan 0.000 0.435 665 E N 0.671 120.741 120.200 -0.218 0.000 2.085 665 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 665 E C 2.459 179.001 176.600 -0.096 0.000 0.994 665 E CA 0.818 57.141 56.400 -0.127 0.000 0.801 665 E CB -0.012 29.626 29.700 -0.103 0.000 0.743 665 E HN 0.168 nan 8.360 nan 0.000 0.453 666 K N 0.402 120.727 120.400 -0.126 0.000 2.057 666 K HA -0.066 4.254 4.320 -0.001 0.000 0.207 666 K C 2.117 178.722 176.600 0.008 0.000 1.049 666 K CA 1.131 57.379 56.287 -0.065 0.000 0.931 666 K CB -0.369 32.070 32.500 -0.102 0.000 0.714 666 K HN 0.107 nan 8.250 nan 0.000 0.440 667 A N 1.209 124.035 122.820 0.011 0.000 1.933 667 A HA -0.109 4.210 4.320 -0.001 0.000 0.218 667 A C 2.290 179.989 177.584 0.191 0.000 1.175 667 A CA 1.166 53.301 52.037 0.163 0.000 0.628 667 A CB -0.547 18.628 19.000 0.291 0.000 0.814 667 A HN 0.207 nan 8.150 nan 0.000 0.444 668 L N -0.665 120.620 121.223 0.104 0.000 2.141 668 L HA -0.118 4.222 4.340 -0.001 0.000 0.209 668 L C 2.776 179.728 176.870 0.138 0.000 1.094 668 L CA 1.166 56.087 54.840 0.135 0.000 0.763 668 L CB -0.343 41.755 42.059 0.066 0.000 0.908 668 L HN 0.315 nan 8.230 nan 0.000 0.437 669 S N -0.150 115.610 115.700 0.100 0.000 2.355 669 S HA -0.191 4.279 4.470 -0.001 0.000 0.222 669 S C 1.940 176.648 174.600 0.179 0.000 1.031 669 S CA 1.357 59.628 58.200 0.118 0.000 0.993 669 S CB -0.098 63.142 63.200 0.067 0.000 0.859 669 S HN 0.220 nan 8.310 nan 0.000 0.453 670 K N 1.775 122.285 120.400 0.183 0.000 2.026 670 K HA -0.021 4.298 4.320 -0.001 0.000 0.208 670 K C 1.914 178.711 176.600 0.328 0.000 1.048 670 K CA 1.116 57.547 56.287 0.241 0.000 0.929 670 K CB -0.902 31.749 32.500 0.252 0.000 0.713 670 K HN 0.241 nan 8.250 nan 0.000 0.439 671 L N 0.900 122.307 121.223 0.306 0.000 2.079 671 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 671 L C 2.331 179.380 176.870 0.298 0.000 1.081 671 L CA 2.078 57.093 54.840 0.293 0.000 0.752 671 L CB -0.814 41.403 42.059 0.264 0.000 0.896 671 L HN 0.511 nan 8.230 nan 0.000 0.433 672 H N -0.611 118.549 119.070 0.151 0.000 2.456 672 H HA -0.139 4.416 4.556 -0.001 0.000 0.296 672 H C 1.795 177.152 175.328 0.047 0.000 1.079 672 H CA 1.541 57.650 56.048 0.101 0.000 1.322 672 H CB 0.411 30.210 29.762 0.061 0.000 1.388 672 H HN 0.571 nan 8.280 nan 0.000 0.538 673 E N -0.364 119.830 120.200 -0.010 0.000 2.150 673 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 673 E C 1.453 177.836 176.600 -0.362 0.000 0.985 673 E CA 0.858 57.141 56.400 -0.196 0.000 0.814 673 E CB 0.049 29.645 29.700 -0.172 0.000 0.752 673 E HN 0.588 nan 8.360 nan 0.000 0.466 674 Y N -1.100 119.019 120.300 -0.302 0.000 2.448 674 Y HA 0.047 4.597 4.550 -0.001 0.000 0.289 674 Y C 0.432 175.755 175.900 -0.962 0.000 1.114 674 Y CA 0.469 58.186 58.100 -0.639 0.000 1.235 674 Y CB 0.523 38.452 38.460 -0.885 0.000 1.045 674 Y HN -0.106 nan 8.280 nan 0.000 0.554 675 F N 0.653 120.501 119.950 -0.171 0.000 2.809 675 F HA 0.337 4.864 4.527 -0.001 0.000 0.369 675 F C -1.983 173.689 175.800 -0.212 0.000 1.225 675 F CA -2.355 55.541 58.000 -0.172 0.000 1.201 675 F CB 1.152 40.061 39.000 -0.152 0.000 1.527 675 F HN -0.188 nan 8.300 nan 0.000 0.565 676 P HA -0.147 nan 4.420 nan 0.000 0.225 676 P C 0.747 178.017 177.300 -0.050 0.000 1.148 676 P CA 1.335 64.195 63.100 -0.399 0.000 0.779 676 P CB 0.388 31.906 31.700 -0.304 0.000 0.780 677 E N -0.868 119.357 120.200 0.041 0.000 2.482 677 E HA 0.036 4.386 4.350 -0.001 0.000 0.196 677 E C 1.063 177.730 176.600 0.113 0.000 1.047 677 E CA -0.161 56.286 56.400 0.079 0.000 0.869 677 E CB -0.152 29.581 29.700 0.056 0.000 0.836 677 E HN 0.309 nan 8.360 nan 0.000 0.520 678 M N 1.986 121.692 119.600 0.176 0.000 2.200 678 M HA 0.007 4.487 4.480 -0.001 0.000 0.355 678 M C -0.298 176.077 176.300 0.124 0.000 1.283 678 M CA 0.195 55.581 55.300 0.144 0.000 1.124 678 M CB 0.711 33.409 32.600 0.163 0.000 1.625 678 M HN -0.165 nan 8.290 nan 0.000 0.463 679 Q N 5.466 125.280 119.800 0.023 0.000 2.293 679 Q HA 0.443 4.782 4.340 -0.001 0.000 0.261 679 Q C -1.550 174.416 176.000 -0.057 0.000 0.960 679 Q CA -0.600 55.186 55.803 -0.029 0.000 0.882 679 Q CB 1.210 29.934 28.738 -0.024 0.000 1.275 679 Q HN 0.836 nan 8.270 nan 0.000 0.445 680 I N 6.023 126.541 120.570 -0.086 0.000 2.308 680 I HA 0.005 4.174 4.170 -0.001 0.000 0.293 680 I C 0.963 177.046 176.117 -0.057 0.000 1.078 680 I CA -0.143 61.115 61.300 -0.070 0.000 1.292 680 I CB 0.660 38.611 38.000 -0.082 0.000 1.423 680 I HN 0.772 nan 8.210 nan 0.000 0.493 681 L N 5.866 127.056 121.223 -0.055 0.000 2.044 681 L HA 0.157 4.496 4.340 -0.001 0.000 0.205 681 L C 0.922 177.780 176.870 -0.020 0.000 1.075 681 L CA 0.765 55.581 54.840 -0.041 0.000 0.747 681 L CB 0.115 42.142 42.059 -0.053 0.000 0.903 681 L HN 0.748 nan 8.230 nan 0.000 0.435 682 A N -1.929 120.884 122.820 -0.012 0.000 2.555 682 A HA 0.293 4.613 4.320 -0.001 0.000 0.297 682 A C 0.103 177.703 177.584 0.028 0.000 1.060 682 A CA -0.405 51.640 52.037 0.013 0.000 0.710 682 A CB 1.045 20.066 19.000 0.035 0.000 1.282 682 A HN -0.151 nan 8.150 nan 0.000 0.399 683 V N 1.503 121.432 119.914 0.025 0.000 2.720 683 V HA 0.026 4.145 4.120 -0.001 0.000 0.256 683 V C 0.897 177.036 176.094 0.074 0.000 1.082 683 V CA 2.728 65.047 62.300 0.032 0.000 1.101 683 V CB 0.088 31.915 31.823 0.006 0.000 0.693 683 V HN 1.250 nan 8.190 nan 0.000 0.479 684 S N -0.691 115.060 115.700 0.085 0.000 2.659 684 S HA 0.646 5.115 4.470 -0.001 0.000 0.312 684 S C 0.432 175.119 174.600 0.146 0.000 1.114 684 S CA -0.024 58.251 58.200 0.125 0.000 1.063 684 S CB 1.282 64.545 63.200 0.105 0.000 0.996 684 S HN 0.492 nan 8.310 nan 0.000 0.478 685 G N 2.978 111.909 108.800 0.218 0.000 3.605 685 G HA2 0.214 4.174 3.960 -0.001 0.000 0.277 685 G HA3 0.214 4.174 3.960 -0.001 0.000 0.277 685 G C 0.407 175.497 174.900 0.316 0.000 1.093 685 G CA -0.539 44.733 45.100 0.287 0.000 0.821 685 G HN 0.800 nan 8.290 nan 0.000 0.532 686 N N -1.560 117.280 118.700 0.234 0.000 2.828 686 N HA -0.229 4.511 4.740 -0.001 0.000 0.248 686 N C 0.357 176.003 175.510 0.226 0.000 1.044 686 N CA 0.769 53.929 53.050 0.184 0.000 0.851 686 N CB -1.570 36.995 38.487 0.130 0.000 1.136 686 N HN 0.507 nan 8.380 nan 0.000 0.572 687 Y N -0.169 120.213 120.300 0.137 0.000 2.457 687 Y HA 0.227 4.776 4.550 -0.002 0.000 0.263 687 Y C 1.742 177.725 175.900 0.138 0.000 1.164 687 Y CA -0.014 58.159 58.100 0.122 0.000 1.274 687 Y CB -0.020 38.564 38.460 0.206 0.000 1.097 687 Y HN 0.355 nan 8.280 nan 0.000 0.523 688 C N -0.740 118.647 119.300 0.144 0.000 2.455 688 C HA -0.086 4.373 4.460 -0.001 0.000 0.281 688 C C 1.183 176.174 174.990 0.003 0.000 1.237 688 C CA 1.173 60.245 59.018 0.091 0.000 1.726 688 C CB -1.212 26.599 27.740 0.117 0.000 2.068 688 C HN 0.330 nan 8.230 nan 0.000 0.466 689 T N 0.671 115.228 114.554 0.004 0.000 2.824 689 T HA 0.393 4.742 4.350 -0.001 0.000 0.280 689 T C -1.059 173.673 174.700 0.053 0.000 0.995 689 T CA 0.068 62.193 62.100 0.041 0.000 1.009 689 T CB 1.437 70.321 68.868 0.027 0.000 0.955 689 T HN 0.312 nan 8.240 nan 0.000 0.452 690 D N 1.996 122.435 120.400 0.066 0.000 2.280 690 D HA 0.329 4.968 4.640 -0.001 0.000 0.236 690 D C 0.022 176.355 176.300 0.055 0.000 1.082 690 D CA -0.450 53.588 54.000 0.063 0.000 0.834 690 D CB 0.412 41.253 40.800 0.069 0.000 1.100 690 D HN 0.492 nan 8.370 nan 0.000 0.486 691 K N 0.918 121.349 120.400 0.051 0.000 3.209 691 K HA -0.229 4.091 4.320 -0.001 0.000 0.289 691 K C -0.666 175.954 176.600 0.033 0.000 1.191 691 K CA 0.724 57.037 56.287 0.043 0.000 0.851 691 K CB -0.899 31.628 32.500 0.044 0.000 1.242 691 K HN 0.321 nan 8.250 nan 0.000 0.480 692 K N 0.133 120.552 120.400 0.033 0.000 2.464 692 K HA 0.342 4.661 4.320 -0.001 0.000 0.253 692 K C -2.719 173.893 176.600 0.019 0.000 0.933 692 K CA -1.965 54.337 56.287 0.024 0.000 0.801 692 K CB 1.632 34.150 32.500 0.030 0.000 1.271 692 K HN -0.221 nan 8.250 nan 0.000 0.430 693 P HA 0.260 nan 4.420 nan 0.000 0.271 693 P C -1.354 175.951 177.300 0.009 0.000 1.220 693 P CA -0.364 62.735 63.100 -0.002 0.000 0.768 693 P CB 1.127 32.811 31.700 -0.026 0.000 0.848 694 A N 2.324 125.158 122.820 0.023 0.000 2.517 694 A HA 0.565 4.884 4.320 -0.001 0.000 0.297 694 A C 0.854 178.477 177.584 0.065 0.000 1.050 694 A CA -0.149 51.907 52.037 0.031 0.000 0.694 694 A CB 1.247 20.260 19.000 0.023 0.000 1.277 694 A HN 0.399 nan 8.150 nan 0.000 0.400 695 A N 1.738 124.599 122.820 0.069 0.000 1.972 695 A HA -0.039 4.280 4.320 -0.001 0.000 0.219 695 A C 1.775 179.437 177.584 0.130 0.000 1.169 695 A CA 1.777 53.893 52.037 0.132 0.000 0.635 695 A CB -0.593 18.471 19.000 0.107 0.000 0.810 695 A HN 1.254 nan 8.150 nan 0.000 0.446 696 I N -0.136 120.458 120.570 0.039 0.000 2.286 696 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 696 I C 1.813 177.915 176.117 -0.024 0.000 1.115 696 I CA 1.564 62.842 61.300 -0.037 0.000 1.392 696 I CB -0.139 37.759 38.000 -0.171 0.000 1.065 696 I HN 0.276 nan 8.210 nan 0.000 0.418 697 N N 0.300 119.019 118.700 0.031 0.000 2.216 697 N HA -0.231 4.509 4.740 -0.001 0.000 0.183 697 N C 1.449 177.025 175.510 0.109 0.000 1.017 697 N CA 1.367 54.448 53.050 0.052 0.000 0.861 697 N CB -0.578 37.954 38.487 0.075 0.000 0.986 697 N HN 0.623 nan 8.380 nan 0.000 0.428 698 W N 1.411 122.697 121.300 -0.024 0.000 2.381 698 W HA -0.016 4.644 4.660 0.000 0.000 0.301 698 W C 1.389 177.894 176.519 -0.024 0.000 1.205 698 W CA 0.737 58.077 57.345 -0.009 0.000 1.285 698 W CB -0.117 29.352 29.460 0.014 0.000 1.133 698 W HN -0.027 nan 8.180 nan 0.000 0.521 699 I N 0.499 121.034 120.570 -0.058 0.000 2.400 699 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 699 I C 1.910 177.913 176.117 -0.189 0.000 1.109 699 I CA 1.287 62.481 61.300 -0.178 0.000 1.425 699 I CB -0.346 37.629 38.000 -0.042 0.000 1.094 699 I HN -0.132 nan 8.210 nan 0.000 0.425 700 E N 0.543 120.653 120.200 -0.149 0.000 2.460 700 E HA 0.252 4.601 4.350 -0.001 0.000 0.200 700 E C 0.696 177.219 176.600 -0.128 0.000 1.011 700 E CA 0.301 56.603 56.400 -0.163 0.000 0.912 700 E CB 0.610 30.185 29.700 -0.208 0.000 0.953 700 E HN 0.428 nan 8.360 nan 0.000 0.494 701 G N 1.999 110.737 108.800 -0.105 0.000 2.758 701 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.686 701 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.686 701 G C -0.636 174.244 174.900 -0.032 0.000 1.389 701 G CA -0.251 44.808 45.100 -0.069 0.000 0.845 701 G HN 0.186 nan 8.290 nan 0.000 0.572 702 R N 0.438 120.936 120.500 -0.003 0.000 2.536 702 R HA 0.589 4.929 4.340 -0.001 0.000 0.269 702 R C 0.946 177.264 176.300 0.030 0.000 1.113 702 R CA 0.828 56.940 56.100 0.018 0.000 0.948 702 R CB 1.053 31.372 30.300 0.032 0.000 1.237 702 R HN 2.812 nan 8.270 nan 0.000 0.441 703 G N 3.195 112.015 108.800 0.035 0.000 2.536 703 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.280 703 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.280 703 G C -1.030 173.883 174.900 0.023 0.000 1.152 703 G CA 0.211 45.333 45.100 0.035 0.000 0.970 703 G HN 0.506 nan 8.290 nan 0.000 0.549 704 K N 0.713 121.127 120.400 0.022 0.000 2.185 704 K HA 0.649 4.968 4.320 -0.001 0.000 0.269 704 K C -0.480 176.122 176.600 0.004 0.000 0.987 704 K CA -0.100 56.193 56.287 0.011 0.000 0.865 704 K CB 1.736 34.242 32.500 0.009 0.000 1.090 704 K HN 0.417 nan 8.250 nan 0.000 0.450 705 S N 1.794 117.487 115.700 -0.012 0.000 2.433 705 S HA 0.507 4.976 4.470 -0.001 0.000 0.310 705 S C -0.722 173.864 174.600 -0.024 0.000 1.097 705 S CA -0.835 57.348 58.200 -0.029 0.000 1.103 705 S CB 0.952 64.120 63.200 -0.055 0.000 0.992 705 S HN 0.260 nan 8.310 nan 0.000 0.469 706 V N 3.110 123.013 119.914 -0.019 0.000 2.962 706 V HA 0.703 4.822 4.120 -0.001 0.000 0.313 706 V C -0.622 175.463 176.094 -0.015 0.000 1.099 706 V CA -0.776 61.515 62.300 -0.014 0.000 0.971 706 V CB 2.124 33.942 31.823 -0.008 0.000 1.028 706 V HN 0.584 nan 8.190 nan 0.000 0.430 707 V N 3.361 123.269 119.914 -0.010 0.000 2.709 707 V HA 0.840 4.959 4.120 -0.001 0.000 0.308 707 V C -0.670 175.424 176.094 0.000 0.000 1.062 707 V CA -0.280 62.017 62.300 -0.004 0.000 0.901 707 V CB 1.637 33.459 31.823 -0.001 0.000 1.003 707 V HN 1.299 nan 8.190 nan 0.000 0.425 708 C N 4.111 123.408 119.300 -0.005 0.000 2.994 708 C HA 1.023 5.482 4.460 -0.001 0.000 0.304 708 C C -0.819 174.152 174.990 -0.032 0.000 1.273 708 C CA -0.512 58.500 59.018 -0.009 0.000 1.537 708 C CB 1.156 28.887 27.740 -0.015 0.000 2.001 708 C HN 1.114 nan 8.230 nan 0.000 0.471 709 E N 1.402 121.581 120.200 -0.035 0.000 2.430 709 E HA 0.829 5.178 4.350 -0.001 0.000 0.279 709 E C -1.175 175.374 176.600 -0.084 0.000 1.003 709 E CA -0.786 55.548 56.400 -0.109 0.000 0.801 709 E CB 1.949 31.638 29.700 -0.018 0.000 1.313 709 E HN 1.783 nan 8.360 nan 0.000 0.459 710 A N 0.581 123.300 122.820 -0.167 0.000 2.608 710 A HA 0.577 4.896 4.320 -0.001 0.000 0.292 710 A C -1.714 175.829 177.584 -0.067 0.000 1.066 710 A CA -0.675 51.321 52.037 -0.069 0.000 0.676 710 A CB 1.868 20.836 19.000 -0.054 0.000 1.277 710 A HN 0.360 nan 8.150 nan 0.000 0.413 711 V N 2.383 122.313 119.914 0.027 0.000 2.444 711 V HA 0.443 4.563 4.120 -0.001 0.000 0.294 711 V C -0.871 175.245 176.094 0.038 0.000 1.022 711 V CA -0.484 61.858 62.300 0.069 0.000 0.850 711 V CB 1.459 33.355 31.823 0.122 0.000 0.992 711 V HN 0.648 nan 8.190 nan 0.000 0.426 712 I N 6.541 127.128 120.570 0.030 0.000 2.312 712 I HA 0.416 4.586 4.170 -0.001 0.000 0.290 712 I C -2.400 173.735 176.117 0.030 0.000 1.008 712 I CA -2.982 58.331 61.300 0.023 0.000 1.226 712 I CB 1.245 39.252 38.000 0.013 0.000 1.371 712 I HN 0.333 nan 8.210 nan 0.000 0.468 713 P HA 0.067 nan 4.420 nan 0.000 0.267 713 P C 0.751 178.065 177.300 0.024 0.000 1.200 713 P CA 0.090 63.206 63.100 0.026 0.000 0.772 713 P CB 0.877 32.590 31.700 0.022 0.000 0.855 714 A N 4.220 127.054 122.820 0.023 0.000 1.927 714 A HA -0.280 4.039 4.320 -0.001 0.000 0.220 714 A C 2.068 179.663 177.584 0.018 0.000 1.185 714 A CA 1.974 54.023 52.037 0.020 0.000 0.639 714 A CB -1.155 17.856 19.000 0.018 0.000 0.820 714 A HN 0.605 nan 8.150 nan 0.000 0.451 715 K N -0.401 120.010 120.400 0.017 0.000 2.097 715 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 715 K C 1.746 178.356 176.600 0.017 0.000 1.049 715 K CA 1.602 57.899 56.287 0.016 0.000 0.933 715 K CB -0.222 32.286 32.500 0.014 0.000 0.717 715 K HN 0.280 nan 8.250 nan 0.000 0.442 716 V N 0.753 120.678 119.914 0.018 0.000 2.453 716 V HA -0.183 3.937 4.120 -0.001 0.000 0.247 716 V C 2.298 178.404 176.094 0.020 0.000 1.048 716 V CA 1.221 63.532 62.300 0.019 0.000 1.049 716 V CB 0.025 31.859 31.823 0.018 0.000 0.672 716 V HN 0.136 nan 8.190 nan 0.000 0.457 717 V N 0.270 120.196 119.914 0.019 0.000 2.343 717 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 717 V C 2.574 178.680 176.094 0.021 0.000 1.051 717 V CA 2.068 64.379 62.300 0.019 0.000 1.036 717 V CB -0.815 31.019 31.823 0.017 0.000 0.654 717 V HN 0.502 nan 8.190 nan 0.000 0.451 718 R N 0.080 120.592 120.500 0.020 0.000 2.057 718 R HA -0.093 4.246 4.340 -0.001 0.000 0.229 718 R C 2.300 178.617 176.300 0.028 0.000 1.136 718 R CA 1.624 57.738 56.100 0.022 0.000 0.952 718 R CB -0.300 30.012 30.300 0.019 0.000 0.848 718 R HN 0.596 nan 8.270 nan 0.000 0.430 719 E N 0.195 120.409 120.200 0.025 0.000 2.122 719 E HA -0.063 4.286 4.350 -0.001 0.000 0.190 719 E C 1.979 178.595 176.600 0.027 0.000 0.977 719 E CA 0.960 57.374 56.400 0.024 0.000 0.820 719 E CB 0.272 29.983 29.700 0.018 0.000 0.770 719 E HN 0.104 nan 8.360 nan 0.000 0.462 720 V N 1.008 120.938 119.914 0.027 0.000 2.492 720 V HA -0.075 4.045 4.120 -0.001 0.000 0.241 720 V C 2.044 178.161 176.094 0.037 0.000 1.041 720 V CA 0.896 63.213 62.300 0.028 0.000 1.057 720 V CB -0.121 31.716 31.823 0.023 0.000 0.711 720 V HN 0.183 nan 8.190 nan 0.000 0.468 721 L N -0.384 120.862 121.223 0.038 0.000 2.509 721 L HA 0.169 4.509 4.340 -0.001 0.000 0.222 721 L C 0.780 177.687 176.870 0.061 0.000 1.123 721 L CA 0.144 55.010 54.840 0.044 0.000 0.856 721 L CB -0.157 41.919 42.059 0.028 0.000 0.985 721 L HN 0.239 nan 8.230 nan 0.000 0.456 722 K N 0.695 121.134 120.400 0.066 0.000 3.117 722 K HA -0.178 4.141 4.320 -0.001 0.000 0.269 722 K C 0.144 176.767 176.600 0.038 0.000 1.098 722 K CA 1.000 57.343 56.287 0.093 0.000 0.785 722 K CB -2.261 30.375 32.500 0.227 0.000 1.242 722 K HN 0.474 nan 8.250 nan 0.000 0.491 723 T N -1.657 112.904 114.554 0.011 0.000 2.612 723 T HA 0.584 4.933 4.350 -0.001 0.000 0.296 723 T C -1.123 173.575 174.700 -0.003 0.000 1.148 723 T CA 0.333 62.423 62.100 -0.017 0.000 1.077 723 T CB 1.720 70.564 68.868 -0.040 0.000 1.591 723 T HN 0.278 nan 8.240 nan 0.000 0.479 724 T N -1.236 113.314 114.554 -0.008 0.000 2.916 724 T HA 0.492 4.842 4.350 -0.001 0.000 0.292 724 T C 1.065 175.767 174.700 0.004 0.000 1.055 724 T CA -0.175 61.926 62.100 0.001 0.000 1.009 724 T CB 1.108 69.976 68.868 0.000 0.000 1.118 724 T HN 0.454 nan 8.240 nan 0.000 0.497 725 T N 0.484 115.044 114.554 0.011 0.000 2.746 725 T HA -0.111 4.238 4.350 -0.001 0.000 0.267 725 T C 1.662 176.371 174.700 0.015 0.000 1.039 725 T CA 1.891 64.001 62.100 0.017 0.000 1.142 725 T CB -0.402 68.480 68.868 0.024 0.000 0.866 725 T HN 0.854 nan 8.240 nan 0.000 0.444 726 E N 0.890 121.096 120.200 0.011 0.000 2.051 726 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 726 E C 2.379 178.981 176.600 0.004 0.000 0.991 726 E CA 1.122 57.528 56.400 0.009 0.000 0.799 726 E CB -0.236 29.468 29.700 0.006 0.000 0.748 726 E HN 0.472 nan 8.360 nan 0.000 0.449 727 A N 0.992 123.811 122.820 -0.003 0.000 1.902 727 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 727 A C 2.212 179.791 177.584 -0.008 0.000 1.181 727 A CA 1.555 53.585 52.037 -0.011 0.000 0.623 727 A CB -0.404 18.582 19.000 -0.022 0.000 0.818 727 A HN 0.298 nan 8.150 nan 0.000 0.443 728 M N -0.418 119.180 119.600 -0.004 0.000 2.086 728 M HA -0.093 4.387 4.480 -0.001 0.000 0.261 728 M C 2.197 178.503 176.300 0.010 0.000 1.067 728 M CA 1.450 56.751 55.300 0.001 0.000 1.116 728 M CB -1.169 31.434 32.600 0.006 0.000 1.348 728 M HN 0.434 nan 8.290 nan 0.000 0.407 729 I N -0.177 120.402 120.570 0.016 0.000 2.226 729 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 729 I C 2.396 178.525 176.117 0.020 0.000 1.100 729 I CA 1.004 62.319 61.300 0.024 0.000 1.374 729 I CB -0.449 37.569 38.000 0.030 0.000 1.057 729 I HN 0.260 nan 8.210 nan 0.000 0.413 730 E N 0.549 120.756 120.200 0.012 0.000 2.077 730 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 730 E C 2.444 179.049 176.600 0.008 0.000 0.989 730 E CA 1.108 57.513 56.400 0.009 0.000 0.800 730 E CB -0.376 29.326 29.700 0.003 0.000 0.746 730 E HN 0.329 nan 8.360 nan 0.000 0.452 731 V N 1.745 121.661 119.914 0.003 0.000 2.358 731 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 731 V C 2.232 178.332 176.094 0.010 0.000 1.047 731 V CA 1.812 64.112 62.300 0.000 0.000 1.035 731 V CB -0.643 31.174 31.823 -0.010 0.000 0.658 731 V HN 0.229 nan 8.190 nan 0.000 0.452 732 N N 0.315 119.026 118.700 0.018 0.000 2.084 732 N HA -0.140 4.600 4.740 -0.001 0.000 0.190 732 N C 1.649 177.184 175.510 0.042 0.000 1.030 732 N CA 1.691 54.759 53.050 0.031 0.000 0.849 732 N CB -0.215 38.294 38.487 0.036 0.000 1.012 732 N HN 0.464 nan 8.380 nan 0.000 0.423 733 I N 0.239 120.831 120.570 0.037 0.000 2.202 733 I HA -0.207 3.962 4.170 -0.001 0.000 0.242 733 I C 1.515 177.655 176.117 0.039 0.000 1.091 733 I CA 0.882 62.207 61.300 0.041 0.000 1.368 733 I CB -0.269 37.751 38.000 0.032 0.000 1.058 733 I HN 0.262 nan 8.210 nan 0.000 0.410 734 N N 0.452 119.168 118.700 0.026 0.000 2.446 734 N HA -0.118 4.622 4.740 -0.001 0.000 0.179 734 N C 1.653 177.173 175.510 0.016 0.000 1.054 734 N CA 0.765 53.827 53.050 0.019 0.000 0.905 734 N CB 0.230 38.723 38.487 0.010 0.000 0.973 734 N HN 0.458 nan 8.380 nan 0.000 0.448 735 K N 0.786 121.196 120.400 0.016 0.000 2.214 735 K HA 0.120 4.439 4.320 -0.001 0.000 0.210 735 K C 1.172 177.781 176.600 0.015 0.000 1.036 735 K CA 0.233 56.523 56.287 0.005 0.000 0.958 735 K CB 0.204 32.702 32.500 -0.003 0.000 0.973 735 K HN -0.142 nan 8.250 nan 0.000 0.466 736 N N 0.955 119.679 118.700 0.039 0.000 2.331 736 N HA -0.040 4.700 4.740 -0.001 0.000 0.180 736 N C 1.689 177.302 175.510 0.172 0.000 1.019 736 N CA 0.881 53.975 53.050 0.073 0.000 0.881 736 N CB 0.135 38.673 38.487 0.085 0.000 0.972 736 N HN 0.243 nan 8.380 nan 0.000 0.435 737 L N -0.802 120.515 121.223 0.157 0.000 2.416 737 L HA 0.132 4.471 4.340 -0.001 0.000 0.188 737 L C 2.069 179.042 176.870 0.172 0.000 1.145 737 L CA 0.240 55.210 54.840 0.216 0.000 0.826 737 L CB -0.662 41.466 42.059 0.114 0.000 1.064 737 L HN -0.175 nan 8.230 nan 0.000 0.490 738 V N 0.740 120.709 119.914 0.091 0.000 2.295 738 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 738 V C 2.599 178.717 176.094 0.040 0.000 1.049 738 V CA 2.153 64.490 62.300 0.061 0.000 1.024 738 V CB -1.432 30.413 31.823 0.036 0.000 0.648 738 V HN 0.610 nan 8.190 nan 0.000 0.447 739 G N -0.465 108.348 108.800 0.020 0.000 2.421 739 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.216 739 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.216 739 G C 1.837 176.710 174.900 -0.045 0.000 1.171 739 G CA 1.186 46.279 45.100 -0.012 0.000 0.775 739 G HN 0.512 nan 8.290 nan 0.000 0.543 740 S N 1.016 116.672 115.700 -0.073 0.000 2.382 740 S HA 0.009 4.478 4.470 -0.001 0.000 0.228 740 S C 2.745 177.259 174.600 -0.143 0.000 1.027 740 S CA 1.138 59.205 58.200 -0.221 0.000 0.991 740 S CB -0.306 62.590 63.200 -0.505 0.000 0.823 740 S HN 0.593 nan 8.310 nan 0.000 0.469 741 A N 1.873 124.718 122.820 0.043 0.000 1.898 741 A HA -0.049 4.271 4.320 -0.001 0.000 0.216 741 A C 2.085 179.682 177.584 0.021 0.000 1.181 741 A CA 1.299 53.393 52.037 0.095 0.000 0.620 741 A CB -0.488 18.592 19.000 0.133 0.000 0.819 741 A HN 0.362 nan 8.150 nan 0.000 0.442 742 M N -0.297 119.305 119.600 0.003 0.000 2.213 742 M HA -0.062 4.418 4.480 -0.001 0.000 0.263 742 M C 2.253 178.536 176.300 -0.028 0.000 1.062 742 M CA 1.463 56.758 55.300 -0.009 0.000 1.105 742 M CB -1.472 31.123 32.600 -0.010 0.000 1.385 742 M HN 0.469 nan 8.290 nan 0.000 0.417 743 A N -0.417 122.372 122.820 -0.053 0.000 2.206 743 A HA 0.372 4.691 4.320 -0.001 0.000 0.211 743 A C 1.529 179.067 177.584 -0.076 0.000 1.158 743 A CA 0.839 52.834 52.037 -0.070 0.000 0.761 743 A CB -0.855 18.085 19.000 -0.099 0.000 0.801 743 A HN 0.648 nan 8.150 nan 0.000 0.473 744 G N -0.199 108.562 108.800 -0.065 0.000 2.298 744 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.287 744 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.287 744 G C 0.164 175.003 174.900 -0.102 0.000 1.075 744 G CA 0.561 45.627 45.100 -0.057 0.000 0.960 744 G HN 1.011 nan 8.290 nan 0.000 0.502 745 S N -0.557 115.038 115.700 -0.175 0.000 2.554 745 S HA 0.746 5.216 4.470 -0.001 0.000 0.278 745 S C 0.396 174.831 174.600 -0.275 0.000 1.242 745 S CA -0.860 57.165 58.200 -0.291 0.000 1.051 745 S CB 0.429 63.330 63.200 -0.498 0.000 0.986 745 S HN 0.408 nan 8.310 nan 0.000 0.502 746 I N 4.193 124.594 120.570 -0.283 0.000 2.390 746 I HA 0.403 4.572 4.170 -0.001 0.000 0.283 746 I C 1.262 177.028 176.117 -0.585 0.000 1.016 746 I CA 0.050 61.160 61.300 -0.317 0.000 1.151 746 I CB 0.153 38.040 38.000 -0.189 0.000 1.293 746 I HN 1.017 nan 8.210 nan 0.000 0.458 747 G N 4.843 113.028 108.800 -1.026 0.000 2.176 747 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.253 747 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.253 747 G C 0.810 175.333 174.900 -0.628 0.000 0.979 747 G CA -0.002 44.312 45.100 -1.310 0.000 0.641 747 G HN 0.929 nan 8.290 nan 0.000 0.530 748 G N -0.121 108.301 108.800 -0.629 0.000 4.084 748 G HA2 0.485 4.444 3.960 -0.001 0.000 0.293 748 G HA3 0.485 4.444 3.960 -0.001 0.000 0.293 748 G C 0.059 174.622 174.900 -0.562 0.000 1.303 748 G CA -0.448 44.368 45.100 -0.473 0.000 1.289 748 G HN 0.387 nan 8.290 nan 0.000 0.609 749 Y N 1.527 121.730 120.300 -0.161 0.000 2.880 749 Y HA 0.250 4.800 4.550 -0.000 0.000 0.386 749 Y C 0.687 176.583 175.900 -0.007 0.000 1.172 749 Y CA -0.953 57.109 58.100 -0.063 0.000 1.770 749 Y CB -0.355 38.091 38.460 -0.023 0.000 1.809 749 Y HN 0.571 nan 8.280 nan 0.000 0.472 750 N N -1.944 116.770 118.700 0.023 0.000 2.934 750 N HA 0.651 5.390 4.740 -0.001 0.000 0.253 750 N C 0.140 175.666 175.510 0.027 0.000 1.466 750 N CA -0.514 52.564 53.050 0.046 0.000 0.858 750 N CB 0.765 39.280 38.487 0.046 0.000 1.459 750 N HN -0.055 nan 8.380 nan 0.000 0.532 751 A N -0.386 122.478 122.820 0.073 0.000 1.861 751 A HA 0.072 4.391 4.320 -0.001 0.000 0.212 751 A C 0.732 178.414 177.584 0.162 0.000 1.199 751 A CA 1.675 53.765 52.037 0.088 0.000 0.613 751 A CB -0.968 18.090 19.000 0.097 0.000 0.846 751 A HN 0.999 nan 8.150 nan 0.000 0.446 752 H N -5.062 113.989 119.070 -0.032 0.000 3.345 752 H HA 0.638 5.193 4.556 -0.001 0.000 0.215 752 H C 0.704 176.008 175.328 -0.040 0.000 1.368 752 H CA 0.084 56.109 56.048 -0.038 0.000 1.211 752 H CB -0.248 29.494 29.762 -0.032 0.000 2.467 752 H HN 0.234 nan 8.280 nan 0.000 0.530 753 A N 1.290 124.043 122.820 -0.112 0.000 1.948 753 A HA -0.150 4.169 4.320 -0.001 0.000 0.220 753 A C 2.581 180.062 177.584 -0.172 0.000 1.177 753 A CA 2.054 53.993 52.037 -0.163 0.000 0.636 753 A CB -0.929 18.023 19.000 -0.079 0.000 0.815 753 A HN 0.779 nan 8.150 nan 0.000 0.449 754 A N 0.010 122.757 122.820 -0.121 0.000 1.978 754 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 754 A C 1.949 179.458 177.584 -0.126 0.000 1.170 754 A CA 1.898 53.861 52.037 -0.123 0.000 0.636 754 A CB -0.618 18.334 19.000 -0.081 0.000 0.810 754 A HN 0.565 nan 8.150 nan 0.000 0.448 755 N N -0.188 118.449 118.700 -0.106 0.000 2.084 755 N HA -0.107 4.632 4.740 -0.001 0.000 0.190 755 N C 1.499 176.940 175.510 -0.114 0.000 1.030 755 N CA 1.527 54.534 53.050 -0.071 0.000 0.849 755 N CB -0.413 38.091 38.487 0.028 0.000 1.012 755 N HN 0.426 nan 8.380 nan 0.000 0.423 756 I N 0.419 120.874 120.570 -0.192 0.000 2.202 756 I HA -0.162 4.007 4.170 -0.001 0.000 0.242 756 I C 2.254 178.291 176.117 -0.133 0.000 1.091 756 I CA 0.583 61.792 61.300 -0.153 0.000 1.368 756 I CB -0.597 37.292 38.000 -0.185 0.000 1.058 756 I HN -0.126 nan 8.210 nan 0.000 0.410 757 V N 0.278 120.072 119.914 -0.200 0.000 2.287 757 V HA -0.349 3.771 4.120 -0.001 0.000 0.248 757 V C 2.471 178.339 176.094 -0.376 0.000 1.053 757 V CA 2.579 64.676 62.300 -0.337 0.000 1.027 757 V CB -1.182 30.368 31.823 -0.456 0.000 0.646 757 V HN 0.482 nan 8.190 nan 0.000 0.447 758 T N 0.273 114.676 114.554 -0.252 0.000 2.746 758 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 758 T C 2.053 176.746 174.700 -0.012 0.000 1.039 758 T CA 1.600 63.621 62.100 -0.132 0.000 1.142 758 T CB -0.476 68.342 68.868 -0.084 0.000 0.866 758 T HN 0.582 nan 8.240 nan 0.000 0.444 759 A N 1.072 123.882 122.820 -0.017 0.000 1.902 759 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 759 A C 2.301 179.918 177.584 0.054 0.000 1.181 759 A CA 1.254 53.302 52.037 0.018 0.000 0.623 759 A CB -0.767 18.236 19.000 0.004 0.000 0.818 759 A HN 0.523 nan 8.150 nan 0.000 0.443 760 I N -2.049 118.564 120.570 0.071 0.000 2.252 760 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 760 I C 2.335 178.576 176.117 0.207 0.000 1.102 760 I CA 1.055 62.427 61.300 0.119 0.000 1.385 760 I CB -0.368 37.708 38.000 0.126 0.000 1.064 760 I HN 0.326 nan 8.210 nan 0.000 0.414 761 Y N 0.864 121.153 120.300 -0.018 0.000 2.165 761 Y HA -0.212 4.337 4.550 -0.001 0.000 0.286 761 Y C 2.432 178.328 175.900 -0.007 0.000 1.155 761 Y CA 1.168 59.261 58.100 -0.013 0.000 1.164 761 Y CB -0.686 37.768 38.460 -0.010 0.000 0.978 761 Y HN 0.106 nan 8.280 nan 0.000 0.513 762 I N -0.872 119.796 120.570 0.163 0.000 2.252 762 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 762 I C 2.516 178.666 176.117 0.055 0.000 1.102 762 I CA 1.142 62.495 61.300 0.088 0.000 1.385 762 I CB -0.588 37.453 38.000 0.069 0.000 1.064 762 I HN 0.120 nan 8.210 nan 0.000 0.414 763 A N -0.368 122.484 122.820 0.054 0.000 1.930 763 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 763 A C 2.067 179.660 177.584 0.016 0.000 1.175 763 A CA 1.397 53.454 52.037 0.033 0.000 0.627 763 A CB -0.878 18.142 19.000 0.033 0.000 0.815 763 A HN 0.569 nan 8.150 nan 0.000 0.443 764 C N -0.693 118.611 119.300 0.008 0.000 2.614 764 C HA 0.493 4.952 4.460 -0.001 0.000 0.299 764 C C 1.768 176.725 174.990 -0.054 0.000 1.293 764 C CA -0.145 58.857 59.018 -0.028 0.000 1.713 764 C CB -1.244 26.468 27.740 -0.046 0.000 1.890 764 C HN 1.035 nan 8.230 nan 0.000 0.602 765 G N 1.282 110.062 108.800 -0.035 0.000 2.179 765 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.257 765 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.257 765 G C 0.061 174.911 174.900 -0.083 0.000 1.010 765 G CA 0.127 45.202 45.100 -0.042 0.000 0.736 765 G HN 0.526 nan 8.290 nan 0.000 0.513 766 Q N -0.087 119.630 119.800 -0.138 0.000 2.308 766 Q HA 0.373 4.712 4.340 -0.001 0.000 0.207 766 Q C -0.092 175.852 176.000 -0.094 0.000 1.035 766 Q CA -0.555 55.095 55.803 -0.256 0.000 1.008 766 Q CB 0.501 28.790 28.738 -0.749 0.000 1.168 766 Q HN 0.299 nan 8.270 nan 0.000 0.565 767 D N -0.006 120.354 120.400 -0.068 0.000 2.393 767 D HA 0.265 4.905 4.640 -0.001 0.000 0.232 767 D C 0.338 176.751 176.300 0.189 0.000 1.192 767 D CA -0.115 53.915 54.000 0.050 0.000 0.882 767 D CB 0.914 41.738 40.800 0.039 0.000 1.038 767 D HN 0.516 nan 8.370 nan 0.000 0.499 768 A N 3.791 126.717 122.820 0.175 0.000 2.019 768 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 768 A C 2.054 179.710 177.584 0.119 0.000 1.164 768 A CA 1.610 53.763 52.037 0.192 0.000 0.644 768 A CB -0.257 18.813 19.000 0.116 0.000 0.805 768 A HN 0.609 nan 8.150 nan 0.000 0.449 769 A N -0.791 122.085 122.820 0.094 0.000 2.070 769 A HA -0.157 4.163 4.320 -0.001 0.000 0.220 769 A C 1.919 179.545 177.584 0.070 0.000 1.159 769 A CA 1.344 53.419 52.037 0.063 0.000 0.656 769 A CB -0.421 18.610 19.000 0.052 0.000 0.800 769 A HN 0.658 nan 8.150 nan 0.000 0.453 770 Q N -0.355 119.517 119.800 0.120 0.000 2.482 770 Q HA -0.052 4.287 4.340 -0.001 0.000 0.209 770 Q C 1.653 177.703 176.000 0.084 0.000 0.961 770 Q CA 0.315 56.197 55.803 0.132 0.000 0.945 770 Q CB -0.235 28.620 28.738 0.194 0.000 1.012 770 Q HN 0.815 nan 8.270 nan 0.000 0.515 771 N N 0.412 119.114 118.700 0.004 0.000 2.272 771 N HA -0.153 4.586 4.740 -0.001 0.000 0.185 771 N C 1.513 176.980 175.510 -0.071 0.000 1.014 771 N CA 0.769 53.739 53.050 -0.133 0.000 0.870 771 N CB 0.218 38.620 38.487 -0.141 0.000 0.975 771 N HN 0.081 nan 8.380 nan 0.000 0.433 772 V N 0.782 120.682 119.914 -0.022 0.000 2.231 772 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 772 V C 2.508 178.598 176.094 -0.006 0.000 1.054 772 V CA 2.322 64.613 62.300 -0.015 0.000 1.015 772 V CB -1.093 30.732 31.823 0.003 0.000 0.638 772 V HN 0.535 nan 8.190 nan 0.000 0.444 773 G N -1.829 106.983 108.800 0.020 0.000 2.545 773 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.212 773 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.212 773 G C 1.723 176.653 174.900 0.050 0.000 1.144 773 G CA 0.735 45.861 45.100 0.043 0.000 0.813 773 G HN 0.479 nan 8.290 nan 0.000 0.531 774 S N 1.174 116.894 115.700 0.033 0.000 2.419 774 S HA -0.080 4.389 4.470 -0.001 0.000 0.233 774 S C 2.473 177.057 174.600 -0.026 0.000 1.016 774 S CA 1.192 59.407 58.200 0.024 0.000 0.974 774 S CB -0.090 63.124 63.200 0.022 0.000 0.786 774 S HN 0.311 nan 8.310 nan 0.000 0.492 775 S N 1.690 117.357 115.700 -0.056 0.000 2.522 775 S HA 0.100 4.569 4.470 -0.001 0.000 0.227 775 S C 0.480 175.081 174.600 0.003 0.000 0.986 775 S CA -0.100 58.062 58.200 -0.063 0.000 0.929 775 S CB -0.239 62.909 63.200 -0.087 0.000 0.769 775 S HN 0.454 nan 8.310 nan 0.000 0.529 776 N N 1.722 120.461 118.700 0.064 0.000 2.359 776 N HA 0.077 4.817 4.740 -0.001 0.000 0.261 776 N C -0.496 175.164 175.510 0.251 0.000 1.267 776 N CA 0.405 53.554 53.050 0.166 0.000 0.864 776 N CB 0.318 39.015 38.487 0.350 0.000 1.063 776 N HN 0.280 nan 8.380 nan 0.000 0.474 777 C N 3.669 123.130 119.300 0.269 0.000 3.181 777 C HA 0.575 5.034 4.460 -0.001 0.000 0.362 777 C C -0.996 174.189 174.990 0.324 0.000 1.125 777 C CA -0.982 58.203 59.018 0.277 0.000 1.265 777 C CB 0.506 28.315 27.740 0.115 0.000 1.632 777 C HN 0.759 nan 8.230 nan 0.000 0.525 778 I N 4.846 125.627 120.570 0.351 0.000 2.418 778 I HA 0.523 4.692 4.170 -0.001 0.000 0.287 778 I C -0.215 176.006 176.117 0.174 0.000 1.008 778 I CA 0.314 61.806 61.300 0.321 0.000 1.104 778 I CB 1.809 40.042 38.000 0.389 0.000 1.264 778 I HN 0.777 nan 8.210 nan 0.000 0.438 779 T N 8.235 122.874 114.554 0.142 0.000 2.749 779 T HA 0.559 4.908 4.350 -0.001 0.000 0.287 779 T C -0.362 174.384 174.700 0.076 0.000 0.970 779 T CA -0.337 61.813 62.100 0.082 0.000 0.980 779 T CB 0.810 69.719 68.868 0.067 0.000 0.924 779 T HN 0.356 nan 8.240 nan 0.000 0.456 780 L N 3.766 125.020 121.223 0.052 0.000 2.381 780 L HA 0.685 5.025 4.340 -0.001 0.000 0.268 780 L C -0.420 176.479 176.870 0.049 0.000 0.997 780 L CA -0.831 54.049 54.840 0.067 0.000 0.818 780 L CB 2.028 44.145 42.059 0.096 0.000 1.310 780 L HN 0.437 nan 8.230 nan 0.000 0.416 781 M N 2.943 122.587 119.600 0.074 0.000 2.518 781 M HA 0.507 4.986 4.480 -0.001 0.000 0.300 781 M C -1.157 175.219 176.300 0.128 0.000 1.175 781 M CA -0.474 54.873 55.300 0.078 0.000 0.890 781 M CB 3.043 35.668 32.600 0.041 0.000 1.710 781 M HN 0.651 nan 8.290 nan 0.000 0.453 782 E N 1.263 121.571 120.200 0.179 0.000 2.407 782 E HA 0.752 5.101 4.350 -0.001 0.000 0.279 782 E C -1.625 175.053 176.600 0.130 0.000 1.012 782 E CA -1.197 55.288 56.400 0.141 0.000 0.800 782 E CB 1.559 31.338 29.700 0.131 0.000 1.276 782 E HN 0.698 nan 8.360 nan 0.000 0.452 783 A N 1.226 124.091 122.820 0.075 0.000 2.445 783 A HA 0.519 4.838 4.320 -0.001 0.000 0.242 783 A C 0.000 177.617 177.584 0.054 0.000 1.075 783 A CA 0.368 52.440 52.037 0.058 0.000 0.777 783 A CB 0.874 19.894 19.000 0.033 0.000 1.013 783 A HN 0.524 nan 8.150 nan 0.000 0.493 784 S N -0.073 115.661 115.700 0.055 0.000 2.671 784 S HA 0.803 5.273 4.470 -0.001 0.000 0.277 784 S C -0.132 174.486 174.600 0.030 0.000 1.165 784 S CA 0.731 58.956 58.200 0.041 0.000 0.822 784 S CB 1.098 64.350 63.200 0.086 0.000 1.150 784 S HN 2.807 nan 8.310 nan 0.000 0.479 785 G N 2.171 110.983 108.800 0.019 0.000 2.746 785 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.685 785 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.685 785 G C -2.318 172.587 174.900 0.008 0.000 1.350 785 G CA -0.259 44.850 45.100 0.016 0.000 0.837 785 G HN 0.601 nan 8.290 nan 0.000 0.564 786 P HA -0.023 nan 4.420 nan 0.000 0.217 786 P C 1.659 178.961 177.300 0.004 0.000 1.148 786 P CA 2.347 65.449 63.100 0.004 0.000 0.828 786 P CB 0.071 31.773 31.700 0.005 0.000 0.783 787 T N -3.210 111.349 114.554 0.007 0.000 3.054 787 T HA 0.134 4.483 4.350 -0.001 0.000 0.255 787 T C 0.434 175.140 174.700 0.009 0.000 1.035 787 T CA -0.325 61.779 62.100 0.007 0.000 0.941 787 T CB -0.702 68.171 68.868 0.009 0.000 1.026 787 T HN 0.195 nan 8.240 nan 0.000 0.533 788 N N 1.637 120.343 118.700 0.011 0.000 2.747 788 N HA -0.209 4.531 4.740 -0.001 0.000 0.249 788 N C 0.870 176.391 175.510 0.019 0.000 1.107 788 N CA 0.873 53.931 53.050 0.014 0.000 0.707 788 N CB -0.347 38.146 38.487 0.010 0.000 1.054 788 N HN 0.778 nan 8.380 nan 0.000 0.555 789 E N -1.297 118.915 120.200 0.020 0.000 2.340 789 E HA 0.077 4.427 4.350 -0.001 0.000 0.198 789 E C -0.188 176.429 176.600 0.027 0.000 0.961 789 E CA -0.136 56.276 56.400 0.021 0.000 0.905 789 E CB 0.252 29.962 29.700 0.017 0.000 0.884 789 E HN 0.200 nan 8.360 nan 0.000 0.491 790 D N 1.326 121.746 120.400 0.034 0.000 2.329 790 D HA 0.228 4.867 4.640 -0.001 0.000 0.246 790 D C -0.687 175.648 176.300 0.058 0.000 1.111 790 D CA -0.430 53.595 54.000 0.043 0.000 0.941 790 D CB 1.762 42.590 40.800 0.047 0.000 1.169 790 D HN 0.022 nan 8.370 nan 0.000 0.441 791 L N 2.195 123.454 121.223 0.060 0.000 2.280 791 L HA 0.254 4.593 4.340 -0.001 0.000 0.287 791 L C -1.354 175.572 176.870 0.093 0.000 1.023 791 L CA -0.769 54.111 54.840 0.067 0.000 0.819 791 L CB 0.667 42.746 42.059 0.034 0.000 1.212 791 L HN 0.242 nan 8.230 nan 0.000 0.420 792 Y N 6.210 126.518 120.300 0.013 0.000 2.313 792 Y HA 0.623 5.173 4.550 -0.001 0.000 0.332 792 Y C -0.810 175.100 175.900 0.016 0.000 1.071 792 Y CA -0.509 57.599 58.100 0.013 0.000 1.169 792 Y CB 1.016 39.483 38.460 0.011 0.000 1.192 792 Y HN 0.661 nan 8.280 nan 0.000 0.487 793 I N 5.869 126.016 120.570 -0.705 0.000 2.730 793 I HA 0.628 4.798 4.170 -0.001 0.000 0.298 793 I C -1.455 174.250 176.117 -0.686 0.000 1.089 793 I CA -0.416 60.575 61.300 -0.516 0.000 1.041 793 I CB 1.801 39.671 38.000 -0.217 0.000 1.235 793 I HN 0.771 nan 8.210 nan 0.000 0.423 794 S N 5.794 121.265 115.700 -0.382 0.000 2.541 794 S HA 0.684 5.153 4.470 -0.001 0.000 0.271 794 S C -1.411 173.147 174.600 -0.070 0.000 1.133 794 S CA -0.636 57.435 58.200 -0.215 0.000 0.876 794 S CB 1.493 64.633 63.200 -0.099 0.000 1.105 794 S HN 0.704 nan 8.310 nan 0.000 0.470 795 C N 2.328 121.606 119.300 -0.037 0.000 2.441 795 C HA 0.843 5.302 4.460 -0.001 0.000 0.318 795 C C -0.201 174.799 174.990 0.017 0.000 1.222 795 C CA -0.353 58.667 59.018 0.005 0.000 1.474 795 C CB 1.217 28.954 27.740 -0.003 0.000 2.125 795 C HN 0.968 nan 8.230 nan 0.000 0.479 796 T N 4.712 119.293 114.554 0.044 0.000 2.809 796 T HA 0.548 4.897 4.350 -0.001 0.000 0.284 796 T C -0.470 174.263 174.700 0.054 0.000 0.992 796 T CA -0.248 61.866 62.100 0.024 0.000 0.957 796 T CB 0.789 69.655 68.868 -0.004 0.000 0.942 796 T HN 0.563 nan 8.240 nan 0.000 0.439 797 M N 5.237 124.855 119.600 0.029 0.000 2.018 797 M HA 0.277 4.757 4.480 -0.001 0.000 0.311 797 M C -1.889 174.418 176.300 0.011 0.000 0.928 797 M CA -2.131 53.204 55.300 0.058 0.000 0.911 797 M CB 2.600 35.229 32.600 0.049 0.000 1.447 797 M HN 0.269 nan 8.290 nan 0.000 0.407 798 P HA -0.006 nan 4.420 nan 0.000 0.236 798 P C 0.062 177.356 177.300 -0.010 0.000 1.177 798 P CA 0.696 63.752 63.100 -0.073 0.000 0.773 798 P CB 0.275 31.844 31.700 -0.218 0.000 0.878 799 S N -0.653 115.076 115.700 0.048 0.000 2.300 799 S HA 0.378 4.848 4.470 -0.001 0.000 0.172 799 S C -0.121 174.523 174.600 0.073 0.000 1.484 799 S CA -0.691 57.544 58.200 0.058 0.000 1.265 799 S CB -1.036 62.210 63.200 0.078 0.000 1.313 799 S HN -0.075 nan 8.310 nan 0.000 0.387 800 I N 2.190 122.801 120.570 0.068 0.000 2.363 800 I HA 0.215 4.384 4.170 -0.001 0.000 0.292 800 I C 0.045 176.226 176.117 0.107 0.000 1.075 800 I CA -0.099 61.263 61.300 0.104 0.000 1.333 800 I CB 0.558 38.610 38.000 0.087 0.000 1.415 800 I HN 0.423 nan 8.210 nan 0.000 0.502 801 E N 7.476 127.767 120.200 0.151 0.000 2.046 801 E HA 0.593 4.942 4.350 -0.001 0.000 0.279 801 E C -0.667 175.962 176.600 0.048 0.000 0.989 801 E CA -0.113 56.347 56.400 0.100 0.000 0.798 801 E CB 1.662 31.427 29.700 0.109 0.000 1.086 801 E HN 0.488 nan 8.360 nan 0.000 0.399 802 I N 1.451 122.005 120.570 -0.027 0.000 3.102 802 I HA 0.715 4.885 4.170 -0.001 0.000 0.310 802 I C -0.768 175.283 176.117 -0.111 0.000 1.246 802 I CA -0.633 60.583 61.300 -0.139 0.000 0.979 802 I CB 2.288 40.218 38.000 -0.116 0.000 1.267 802 I HN 0.580 nan 8.210 nan 0.000 0.451 803 G N 0.396 109.109 108.800 -0.145 0.000 2.673 803 G HA2 0.434 4.393 3.960 -0.001 0.000 0.292 803 G HA3 0.434 4.393 3.960 -0.001 0.000 0.292 803 G C -0.409 174.421 174.900 -0.115 0.000 1.450 803 G CA 0.244 45.278 45.100 -0.111 0.000 0.837 803 G HN 0.597 nan 8.290 nan 0.000 0.505 804 T N -2.740 111.755 114.554 -0.098 0.000 3.040 804 T HA 0.429 4.778 4.350 -0.001 0.000 0.266 804 T C 0.515 175.165 174.700 -0.083 0.000 1.005 804 T CA 0.676 62.725 62.100 -0.086 0.000 0.906 804 T CB -0.113 68.712 68.868 -0.071 0.000 1.082 804 T HN 1.511 nan 8.240 nan 0.000 0.531 805 V N -1.932 117.926 119.914 -0.094 0.000 2.789 805 V HA 0.947 5.066 4.120 -0.001 0.000 0.311 805 V C 0.275 176.320 176.094 -0.082 0.000 1.073 805 V CA -0.357 61.889 62.300 -0.091 0.000 0.921 805 V CB 0.757 32.508 31.823 -0.120 0.000 1.009 805 V HN 0.876 nan 8.190 nan 0.000 0.426 806 G N 1.183 109.945 108.800 -0.064 0.000 2.730 806 G HA2 0.442 4.401 3.960 -0.001 0.000 0.686 806 G HA3 0.442 4.401 3.960 -0.001 0.000 0.686 806 G C 0.674 175.548 174.900 -0.044 0.000 1.343 806 G CA 0.100 45.170 45.100 -0.050 0.000 0.826 806 G HN 2.946 nan 8.290 nan 0.000 0.582 807 G N -0.042 108.740 108.800 -0.030 0.000 2.611 807 G HA2 0.115 4.074 3.960 -0.001 0.000 0.301 807 G HA3 0.115 4.074 3.960 -0.001 0.000 0.301 807 G C 2.041 176.929 174.900 -0.020 0.000 1.233 807 G CA 2.155 47.242 45.100 -0.022 0.000 0.993 807 G HN 2.528 nan 8.290 nan 0.000 0.553 808 G N -0.564 108.223 108.800 -0.022 0.000 2.470 808 G HA2 0.128 4.087 3.960 -0.001 0.000 0.220 808 G HA3 0.128 4.087 3.960 -0.001 0.000 0.220 808 G C 1.869 176.754 174.900 -0.026 0.000 1.121 808 G CA 2.349 47.440 45.100 -0.015 0.000 0.766 808 G HN 1.947 nan 8.290 nan 0.000 0.553 809 T N -1.904 112.625 114.554 -0.043 0.000 3.163 809 T HA 0.029 4.378 4.350 -0.001 0.000 0.260 809 T C 1.801 176.476 174.700 -0.040 0.000 1.156 809 T CA 0.738 62.810 62.100 -0.047 0.000 1.072 809 T CB -0.172 68.658 68.868 -0.063 0.000 0.937 809 T HN 0.105 nan 8.240 nan 0.000 0.528 810 N N 0.710 119.390 118.700 -0.034 0.000 2.422 810 N HA 0.237 4.977 4.740 -0.001 0.000 0.181 810 N C 0.255 175.743 175.510 -0.037 0.000 1.080 810 N CA 0.119 53.149 53.050 -0.033 0.000 0.893 810 N CB -0.075 38.395 38.487 -0.027 0.000 0.973 810 N HN 0.509 nan 8.380 nan 0.000 0.456 811 L N 0.907 122.111 121.223 -0.032 0.000 2.371 811 L HA 0.206 4.546 4.340 -0.001 0.000 0.272 811 L C 1.796 178.634 176.870 -0.054 0.000 1.124 811 L CA -0.420 54.395 54.840 -0.042 0.000 0.816 811 L CB 1.182 43.239 42.059 -0.002 0.000 1.129 811 L HN -0.081 nan 8.230 nan 0.000 0.448 812 L N 2.431 123.601 121.223 -0.088 0.000 2.017 812 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 812 L C -0.386 176.448 176.870 -0.060 0.000 1.073 812 L CA 1.517 56.307 54.840 -0.083 0.000 0.745 812 L CB -1.407 40.581 42.059 -0.118 0.000 0.894 812 L HN 0.601 nan 8.230 nan 0.000 0.432 813 P HA -0.177 nan 4.420 nan 0.000 0.216 813 P C 1.364 178.654 177.300 -0.017 0.000 1.153 813 P CA 1.057 64.139 63.100 -0.029 0.000 0.848 813 P CB -0.074 31.620 31.700 -0.010 0.000 0.787 814 Q N -0.294 119.497 119.800 -0.014 0.000 2.230 814 Q HA -0.128 4.212 4.340 -0.001 0.000 0.202 814 Q C 1.932 177.919 176.000 -0.021 0.000 0.963 814 Q CA 1.250 57.045 55.803 -0.013 0.000 0.866 814 Q CB -1.053 27.677 28.738 -0.012 0.000 0.931 814 Q HN 0.455 nan 8.270 nan 0.000 0.452 815 Q N 0.610 120.393 119.800 -0.027 0.000 2.167 815 Q HA 0.017 4.356 4.340 -0.001 0.000 0.202 815 Q C 2.099 178.087 176.000 -0.020 0.000 0.970 815 Q CA 1.181 56.968 55.803 -0.027 0.000 0.855 815 Q CB -0.125 28.593 28.738 -0.033 0.000 0.911 815 Q HN 0.504 nan 8.270 nan 0.000 0.438 816 A N 0.208 123.016 122.820 -0.019 0.000 1.902 816 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 816 A C 2.264 179.846 177.584 -0.002 0.000 1.181 816 A CA 1.244 53.274 52.037 -0.012 0.000 0.623 816 A CB -0.820 18.171 19.000 -0.014 0.000 0.818 816 A HN 0.468 nan 8.150 nan 0.000 0.443 817 C N -0.925 118.374 119.300 -0.002 0.000 2.457 817 C HA 0.042 4.501 4.460 -0.001 0.000 0.278 817 C C 2.617 177.611 174.990 0.006 0.000 1.309 817 C CA 0.811 59.833 59.018 0.006 0.000 1.735 817 C CB -1.418 26.325 27.740 0.006 0.000 1.992 817 C HN 0.623 nan 8.230 nan 0.000 0.493 818 L N 0.233 121.453 121.223 -0.005 0.000 2.093 818 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 818 L C 2.743 179.618 176.870 0.009 0.000 1.085 818 L CA 1.467 56.302 54.840 -0.008 0.000 0.755 818 L CB -0.699 41.346 42.059 -0.024 0.000 0.904 818 L HN 0.446 nan 8.230 nan 0.000 0.435 819 Q N -0.727 119.078 119.800 0.008 0.000 2.119 819 Q HA -0.227 4.112 4.340 -0.001 0.000 0.201 819 Q C 2.302 178.321 176.000 0.031 0.000 0.972 819 Q CA 1.385 57.197 55.803 0.015 0.000 0.847 819 Q CB -0.116 28.625 28.738 0.005 0.000 0.903 819 Q HN 0.482 nan 8.270 nan 0.000 0.433 820 M N 0.233 119.853 119.600 0.033 0.000 2.149 820 M HA -0.193 4.286 4.480 -0.001 0.000 0.261 820 M C 1.508 177.861 176.300 0.088 0.000 1.064 820 M CA 1.433 56.761 55.300 0.048 0.000 1.102 820 M CB 0.127 32.752 32.600 0.043 0.000 1.369 820 M HN 0.224 nan 8.290 nan 0.000 0.408 821 L N -1.163 120.119 121.223 0.099 0.000 2.509 821 L HA 0.155 4.494 4.340 -0.001 0.000 0.222 821 L C 1.242 178.235 176.870 0.204 0.000 1.123 821 L CA 0.387 55.334 54.840 0.178 0.000 0.856 821 L CB -0.322 41.780 42.059 0.072 0.000 0.985 821 L HN 0.604 nan 8.230 nan 0.000 0.456 822 G N 0.801 109.669 108.800 0.113 0.000 2.160 822 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.244 822 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.244 822 G C 0.538 175.483 174.900 0.074 0.000 1.022 822 G CA 0.363 45.519 45.100 0.092 0.000 0.741 822 G HN 0.364 nan 8.290 nan 0.000 0.508 823 V N -3.444 116.497 119.914 0.044 0.000 3.166 823 V HA 0.489 4.609 4.120 -0.001 0.000 0.332 823 V C 0.636 176.725 176.094 -0.009 0.000 1.434 823 V CA 0.317 62.626 62.300 0.014 0.000 1.121 823 V CB 0.881 32.699 31.823 -0.007 0.000 1.062 823 V HN 0.411 nan 8.190 nan 0.000 0.489 824 Q N 2.072 121.868 119.800 -0.006 0.000 2.337 824 Q HA 0.470 4.809 4.340 -0.001 0.000 0.270 824 Q C 0.774 176.759 176.000 -0.025 0.000 1.002 824 Q CA 1.860 57.651 55.803 -0.019 0.000 0.888 824 Q CB 0.981 29.710 28.738 -0.015 0.000 1.222 824 Q HN 1.168 nan 8.270 nan 0.000 0.400 825 G N 2.609 111.386 108.800 -0.038 0.000 2.698 825 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.233 825 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.233 825 G C -0.568 174.300 174.900 -0.054 0.000 1.352 825 G CA -0.245 44.828 45.100 -0.045 0.000 0.879 825 G HN 1.032 nan 8.290 nan 0.000 0.567 826 A N -1.343 121.442 122.820 -0.059 0.000 2.351 826 A HA 0.532 4.851 4.320 -0.001 0.000 0.257 826 A C 0.768 178.334 177.584 -0.029 0.000 1.087 826 A CA 0.779 52.775 52.037 -0.068 0.000 0.798 826 A CB 0.864 19.817 19.000 -0.080 0.000 1.033 826 A HN 2.278 nan 8.150 nan 0.000 0.488 827 C N 2.989 122.276 119.300 -0.020 0.000 2.206 827 C HA 0.431 4.890 4.460 -0.001 0.000 0.324 827 C C 1.386 176.394 174.990 0.030 0.000 1.120 827 C CA -0.818 58.204 59.018 0.007 0.000 1.546 827 C CB -1.544 26.202 27.740 0.010 0.000 2.023 827 C HN 0.992 nan 8.230 nan 0.000 0.448 828 K N 1.868 122.290 120.400 0.036 0.000 2.057 828 K HA -0.121 4.198 4.320 -0.001 0.000 0.207 828 K C 1.390 178.025 176.600 0.058 0.000 1.049 828 K CA 1.868 58.189 56.287 0.057 0.000 0.931 828 K CB 0.117 32.644 32.500 0.045 0.000 0.714 828 K HN 0.707 nan 8.250 nan 0.000 0.440 829 D N 0.468 120.894 120.400 0.043 0.000 2.117 829 D HA -0.107 4.532 4.640 -0.001 0.000 0.198 829 D C 0.484 176.811 176.300 0.045 0.000 0.982 829 D CA 1.049 55.073 54.000 0.039 0.000 0.828 829 D CB -0.039 40.779 40.800 0.030 0.000 0.967 829 D HN 0.066 nan 8.370 nan 0.000 0.464 830 N N 0.245 118.973 118.700 0.047 0.000 2.675 830 N HA 0.193 4.932 4.740 -0.001 0.000 0.254 830 N C -2.938 172.606 175.510 0.056 0.000 1.224 830 N CA -1.651 51.429 53.050 0.050 0.000 0.777 830 N CB 1.390 39.900 38.487 0.038 0.000 1.256 830 N HN -0.279 nan 8.380 nan 0.000 0.531 831 P HA 0.144 nan 4.420 nan 0.000 0.260 831 P C 0.819 178.153 177.300 0.056 0.000 1.172 831 P CA 1.028 64.184 63.100 0.092 0.000 0.760 831 P CB 0.522 32.359 31.700 0.228 0.000 0.773 832 G N 2.709 111.512 108.800 0.005 0.000 2.234 832 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.235 832 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.235 832 G C 1.170 176.070 174.900 -0.000 0.000 0.997 832 G CA 0.351 45.451 45.100 -0.000 0.000 0.623 832 G HN 0.540 nan 8.290 nan 0.000 0.514 833 E N 0.430 120.635 120.200 0.009 0.000 2.110 833 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 833 E C 2.293 178.894 176.600 0.002 0.000 0.988 833 E CA 1.370 57.777 56.400 0.011 0.000 0.804 833 E CB -0.123 29.590 29.700 0.021 0.000 0.745 833 E HN 0.494 nan 8.360 nan 0.000 0.458 834 N N 0.318 119.012 118.700 -0.008 0.000 2.142 834 N HA -0.100 4.640 4.740 -0.001 0.000 0.186 834 N C 1.540 177.030 175.510 -0.033 0.000 1.023 834 N CA 1.306 54.347 53.050 -0.016 0.000 0.852 834 N CB -0.397 38.076 38.487 -0.023 0.000 0.998 834 N HN 0.228 nan 8.380 nan 0.000 0.424 835 A N 1.174 123.970 122.820 -0.040 0.000 1.930 835 A HA -0.069 4.251 4.320 -0.001 0.000 0.217 835 A C 2.219 179.780 177.584 -0.038 0.000 1.175 835 A CA 1.035 53.043 52.037 -0.048 0.000 0.627 835 A CB -0.300 18.670 19.000 -0.050 0.000 0.815 835 A HN 0.212 nan 8.150 nan 0.000 0.443 836 R N -1.173 119.313 120.500 -0.024 0.000 2.075 836 R HA -0.142 4.198 4.340 -0.001 0.000 0.232 836 R C 2.477 178.759 176.300 -0.030 0.000 1.126 836 R CA 1.531 57.620 56.100 -0.018 0.000 0.963 836 R CB -0.266 30.032 30.300 -0.004 0.000 0.858 836 R HN 0.594 nan 8.270 nan 0.000 0.435 837 Q N 1.090 120.871 119.800 -0.030 0.000 2.084 837 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 837 Q C 1.899 177.825 176.000 -0.123 0.000 0.978 837 Q CA 1.364 57.136 55.803 -0.052 0.000 0.844 837 Q CB -0.295 28.437 28.738 -0.011 0.000 0.898 837 Q HN 0.211 nan 8.270 nan 0.000 0.426 838 L N 0.114 121.276 121.223 -0.102 0.000 2.046 838 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 838 L C 2.060 178.874 176.870 -0.094 0.000 1.077 838 L CA 2.243 57.011 54.840 -0.119 0.000 0.747 838 L CB -1.180 40.825 42.059 -0.090 0.000 0.896 838 L HN 0.259 nan 8.230 nan 0.000 0.432 839 A N -0.530 122.254 122.820 -0.059 0.000 1.933 839 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 839 A C 2.390 179.947 177.584 -0.044 0.000 1.175 839 A CA 1.580 53.601 52.037 -0.027 0.000 0.628 839 A CB -0.496 18.497 19.000 -0.011 0.000 0.814 839 A HN 0.502 nan 8.150 nan 0.000 0.444 840 R N -0.657 119.801 120.500 -0.071 0.000 2.092 840 R HA -0.007 4.333 4.340 -0.001 0.000 0.231 840 R C 1.964 178.189 176.300 -0.125 0.000 1.119 840 R CA 1.435 57.489 56.100 -0.077 0.000 0.970 840 R CB -0.492 29.768 30.300 -0.065 0.000 0.864 840 R HN 0.571 nan 8.270 nan 0.000 0.440 841 I N 0.390 120.829 120.570 -0.219 0.000 2.226 841 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 841 I C 2.317 178.349 176.117 -0.142 0.000 1.100 841 I CA 1.047 62.173 61.300 -0.291 0.000 1.374 841 I CB -0.209 37.518 38.000 -0.455 0.000 1.057 841 I HN -0.062 nan 8.210 nan 0.000 0.413 842 V N -0.051 119.813 119.914 -0.084 0.000 2.295 842 V HA -0.352 3.767 4.120 -0.001 0.000 0.246 842 V C 2.563 178.635 176.094 -0.036 0.000 1.049 842 V CA 1.984 64.268 62.300 -0.028 0.000 1.024 842 V CB -0.506 31.343 31.823 0.044 0.000 0.648 842 V HN 0.640 nan 8.190 nan 0.000 0.447 843 C N 0.757 120.037 119.300 -0.034 0.000 2.440 843 C HA -0.038 4.421 4.460 -0.001 0.000 0.278 843 C C 2.926 177.895 174.990 -0.035 0.000 1.295 843 C CA 0.911 59.912 59.018 -0.029 0.000 1.738 843 C CB -1.503 26.225 27.740 -0.019 0.000 1.987 843 C HN 0.650 nan 8.230 nan 0.000 0.492 844 G N -0.606 108.169 108.800 -0.042 0.000 2.408 844 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.217 844 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.217 844 G C 1.763 176.647 174.900 -0.027 0.000 1.150 844 G CA 1.531 46.613 45.100 -0.030 0.000 0.776 844 G HN 0.541 nan 8.290 nan 0.000 0.542 845 T N 0.880 115.411 114.554 -0.039 0.000 2.857 845 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 845 T C 2.531 177.200 174.700 -0.052 0.000 1.048 845 T CA 0.976 63.056 62.100 -0.034 0.000 1.139 845 T CB -0.163 68.683 68.868 -0.036 0.000 0.874 845 T HN 0.051 nan 8.240 nan 0.000 0.455 846 V N 1.797 121.671 119.914 -0.066 0.000 2.287 846 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 846 V C 2.468 178.522 176.094 -0.067 0.000 1.053 846 V CA 1.900 64.143 62.300 -0.096 0.000 1.027 846 V CB -0.595 31.180 31.823 -0.080 0.000 0.646 846 V HN 0.477 nan 8.190 nan 0.000 0.447 847 M N -0.164 119.411 119.600 -0.041 0.000 2.149 847 M HA -0.191 4.289 4.480 -0.001 0.000 0.261 847 M C 2.096 178.387 176.300 -0.015 0.000 1.064 847 M CA 2.198 57.480 55.300 -0.029 0.000 1.102 847 M CB -0.267 32.311 32.600 -0.036 0.000 1.369 847 M HN 0.360 nan 8.290 nan 0.000 0.408 848 A N -0.138 122.675 122.820 -0.011 0.000 1.898 848 A HA -0.024 4.295 4.320 -0.001 0.000 0.216 848 A C 2.251 179.852 177.584 0.028 0.000 1.181 848 A CA 1.717 53.759 52.037 0.008 0.000 0.620 848 A CB -1.544 17.462 19.000 0.011 0.000 0.819 848 A HN 0.624 nan 8.150 nan 0.000 0.442 849 G N -0.545 108.260 108.800 0.009 0.000 2.402 849 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.216 849 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.216 849 G C 1.402 176.440 174.900 0.230 0.000 1.162 849 G CA 0.894 46.031 45.100 0.062 0.000 0.777 849 G HN 0.478 nan 8.290 nan 0.000 0.539 850 E N 0.375 120.638 120.200 0.106 0.000 2.077 850 E HA -0.040 4.309 4.350 -0.001 0.000 0.193 850 E C 2.606 179.261 176.600 0.092 0.000 0.989 850 E CA 0.298 56.780 56.400 0.136 0.000 0.800 850 E CB -0.401 29.335 29.700 0.060 0.000 0.746 850 E HN 0.379 nan 8.360 nan 0.000 0.452 851 L N 0.606 121.861 121.223 0.054 0.000 1.989 851 L HA -0.220 4.120 4.340 -0.001 0.000 0.211 851 L C 2.700 179.594 176.870 0.039 0.000 1.071 851 L CA 1.316 56.175 54.840 0.031 0.000 0.749 851 L CB -0.353 41.717 42.059 0.018 0.000 0.890 851 L HN 0.126 nan 8.230 nan 0.000 0.431 852 S N -0.459 115.276 115.700 0.058 0.000 2.356 852 S HA -0.191 4.278 4.470 -0.001 0.000 0.223 852 S C 1.791 176.408 174.600 0.028 0.000 1.032 852 S CA 1.382 59.612 58.200 0.051 0.000 1.005 852 S CB -0.207 63.032 63.200 0.064 0.000 0.867 852 S HN 0.285 nan 8.310 nan 0.000 0.449 853 L N 1.587 122.824 121.223 0.023 0.000 2.056 853 L HA 0.057 4.396 4.340 -0.001 0.000 0.207 853 L C 2.166 179.001 176.870 -0.058 0.000 1.078 853 L CA 1.760 56.547 54.840 -0.089 0.000 0.749 853 L CB -0.639 41.220 42.059 -0.334 0.000 0.901 853 L HN 0.290 nan 8.230 nan 0.000 0.433 854 M N -0.740 118.849 119.600 -0.017 0.000 2.159 854 M HA -0.122 4.358 4.480 -0.001 0.000 0.263 854 M C 2.400 178.686 176.300 -0.022 0.000 1.063 854 M CA 1.688 56.978 55.300 -0.015 0.000 1.110 854 M CB -1.656 30.948 32.600 0.006 0.000 1.374 854 M HN 0.423 nan 8.290 nan 0.000 0.411 855 A N 0.245 123.058 122.820 -0.012 0.000 1.902 855 A HA 0.024 4.343 4.320 -0.001 0.000 0.217 855 A C 2.451 180.011 177.584 -0.041 0.000 1.181 855 A CA 2.026 54.052 52.037 -0.018 0.000 0.623 855 A CB -0.852 18.152 19.000 0.007 0.000 0.818 855 A HN 0.470 nan 8.150 nan 0.000 0.443 856 A N -0.288 122.518 122.820 -0.022 0.000 1.902 856 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 856 A C 2.161 179.707 177.584 -0.064 0.000 1.181 856 A CA 1.482 53.508 52.037 -0.019 0.000 0.623 856 A CB -0.581 18.423 19.000 0.007 0.000 0.818 856 A HN 0.464 nan 8.150 nan 0.000 0.443 857 L N -0.909 120.278 121.223 -0.061 0.000 2.093 857 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 857 L C 3.062 179.889 176.870 -0.072 0.000 1.085 857 L CA 0.929 55.732 54.840 -0.062 0.000 0.755 857 L CB -0.466 41.560 42.059 -0.055 0.000 0.904 857 L HN 0.440 nan 8.230 nan 0.000 0.435 858 A N -0.061 122.715 122.820 -0.075 0.000 1.898 858 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 858 A C 2.427 179.939 177.584 -0.120 0.000 1.181 858 A CA 1.613 53.605 52.037 -0.076 0.000 0.620 858 A CB -0.593 18.373 19.000 -0.056 0.000 0.819 858 A HN 0.372 nan 8.150 nan 0.000 0.442 859 A N -2.009 120.690 122.820 -0.200 0.000 2.072 859 A HA 0.399 4.719 4.320 -0.001 0.000 0.216 859 A C 1.799 179.146 177.584 -0.396 0.000 1.156 859 A CA 1.335 53.157 52.037 -0.358 0.000 0.701 859 A CB -0.777 17.856 19.000 -0.611 0.000 0.816 859 A HN 1.951 nan 8.150 nan 0.000 0.458 860 G N -1.031 107.616 108.800 -0.255 0.000 2.142 860 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.225 860 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.225 860 G C -0.148 174.739 174.900 -0.023 0.000 1.015 860 G CA 0.268 45.296 45.100 -0.121 0.000 0.716 860 G HN 0.796 nan 8.290 nan 0.000 0.508 861 H N 0.185 119.245 119.070 -0.016 0.000 2.788 861 H HA 0.442 4.997 4.556 -0.001 0.000 0.254 861 H C 0.462 175.778 175.328 -0.021 0.000 1.541 861 H CA -1.173 54.866 56.048 -0.016 0.000 1.295 861 H CB 0.466 30.221 29.762 -0.013 0.000 1.592 861 H HN 0.100 nan 8.280 nan 0.000 0.545 862 L N 0.000 121.279 121.223 0.094 0.000 2.949 862 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 862 L CA 0.000 54.862 54.840 0.037 0.000 0.813 862 L CB 0.000 42.067 42.059 0.013 0.000 0.961 862 L HN 0.000 nan 8.230 nan 0.000 0.502