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 1hwk_1_A DATA FIRST_RESID 442 DATA SEQUENCE PRPNEECLXX XXXXXXXXXX LSDAEIIQLV NAKHIPAYKL ETLIETHERG DATA SEQUENCE VSIRRQLLSK KLSEPSSLQY LPYRDYNYSL VMGACCENVI GYMPIPVGVA DATA SEQUENCE GPLCLDEKEF QVPMATTEGC LVASTNRGCR AIGLGGGASS RVLADGMTRG DATA SEQUENCE PVVRLPRACD SAEVKAWLET SEGFAVIKEA FDSTSRFARL QKLHTSIAGR DATA SEQUENCE NLYIRFQSRS GDAMGMNMIS KGTEKALSKL HEYFPEMQIL AVSGNYCTDK DATA SEQUENCE KPAAINWIEG RGKSVVCEAV IPAKVVREVL KTTTEAMIEV NINKNLVGSA DATA SEQUENCE MAGSIGGYNA HAANIVTAIY IACGQDAAQN VGSSNCITLM EASGPTNEDL DATA SEQUENCE YISCTMPSIE IGTVGGGTNL LPQQACLQML GVQGACKDNP GENARQLARI DATA SEQUENCE VCGTVMAGEL SLMAALAAGH 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 442 P HA 0.000 nan 4.420 nan 0.000 0.216 442 P C 0.000 177.292 177.300 -0.014 0.000 1.155 442 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 442 P CB 0.000 31.691 31.700 -0.014 0.000 0.726 443 R N 1.842 122.334 120.500 -0.014 0.000 2.756 443 R HA 0.315 4.581 4.340 -0.123 0.000 0.264 443 R C -2.060 174.230 176.300 -0.017 0.000 1.026 443 R CA -1.085 55.006 56.100 -0.014 0.000 1.121 443 R CB -0.165 30.127 30.300 -0.013 0.000 0.999 443 R HN 0.165 nan 8.270 nan 0.000 0.449 444 P HA -0.044 nan 4.420 nan 0.000 0.270 444 P C 0.087 177.374 177.300 -0.022 0.000 1.227 444 P CA -0.120 62.968 63.100 -0.019 0.000 0.788 444 P CB 0.512 32.202 31.700 -0.016 0.000 0.926 445 N N 0.875 119.560 118.700 -0.026 0.000 2.142 445 N HA -0.176 4.490 4.740 -0.123 0.000 0.186 445 N C 1.557 177.052 175.510 -0.025 0.000 1.023 445 N CA 1.086 54.118 53.050 -0.029 0.000 0.852 445 N CB -0.227 38.238 38.487 -0.037 0.000 0.998 445 N HN 0.620 nan 8.380 nan 0.000 0.424 446 E N 1.414 121.601 120.200 -0.021 0.000 2.118 446 E HA -0.190 4.086 4.350 -0.123 0.000 0.195 446 E C 1.348 177.939 176.600 -0.016 0.000 0.992 446 E CA 1.068 57.457 56.400 -0.018 0.000 0.804 446 E CB 0.133 29.824 29.700 -0.015 0.000 0.741 446 E HN 0.411 nan 8.360 nan 0.000 0.458 447 E N -0.343 119.848 120.200 -0.016 0.000 2.152 447 E HA -0.086 4.190 4.350 -0.123 0.000 0.192 447 E C 0.461 177.053 176.600 -0.015 0.000 0.983 447 E CA 0.348 56.740 56.400 -0.014 0.000 0.818 447 E CB 0.023 29.715 29.700 -0.013 0.000 0.758 447 E HN 0.230 nan 8.360 nan 0.000 0.467 448 C N 3.277 122.567 119.300 -0.018 0.000 2.663 448 C HA 0.090 4.476 4.460 -0.123 0.000 0.379 448 C C 1.006 175.984 174.990 -0.019 0.000 1.255 448 C CA -0.710 58.296 59.018 -0.019 0.000 1.503 448 C CB -2.156 25.570 27.740 -0.023 0.000 2.187 448 C HN 0.221 nan 8.230 nan 0.000 0.580 463 S N 0.823 116.519 115.700 -0.007 0.000 2.862 463 S HA -0.103 4.293 4.470 -0.123 0.000 0.856 463 S C 0.363 174.957 174.600 -0.011 0.000 0.886 463 S CA 0.381 58.576 58.200 -0.007 0.000 1.464 463 S CB -0.131 63.063 63.200 -0.009 0.000 1.050 463 S HN 0.900 nan 8.310 nan 0.000 0.253 464 D N 4.011 124.406 120.400 -0.008 0.000 2.092 464 D HA -0.050 4.516 4.640 -0.123 0.000 0.193 464 D C 2.356 178.645 176.300 -0.019 0.000 0.994 464 D CA 2.067 56.059 54.000 -0.013 0.000 0.828 464 D CB -0.886 39.908 40.800 -0.009 0.000 0.963 464 D HN 0.910 nan 8.370 nan 0.000 0.450 465 A N 0.956 123.766 122.820 -0.017 0.000 1.986 465 A HA -0.260 3.986 4.320 -0.123 0.000 0.220 465 A C 2.018 179.588 177.584 -0.024 0.000 1.171 465 A CA 1.800 53.825 52.037 -0.020 0.000 0.640 465 A CB -0.556 18.434 19.000 -0.016 0.000 0.811 465 A HN 0.306 nan 8.150 nan 0.000 0.451 466 E N -0.562 119.625 120.200 -0.022 0.000 2.112 466 E HA -0.057 4.219 4.350 -0.123 0.000 0.190 466 E C 1.885 178.466 176.600 -0.031 0.000 0.979 466 E CA 0.926 57.310 56.400 -0.025 0.000 0.814 466 E CB -0.241 29.447 29.700 -0.021 0.000 0.762 466 E HN 0.717 nan 8.360 nan 0.000 0.460 467 I N 1.329 121.881 120.570 -0.030 0.000 2.226 467 I HA -0.267 3.829 4.170 -0.123 0.000 0.245 467 I C 2.397 178.488 176.117 -0.042 0.000 1.100 467 I CA 1.081 62.360 61.300 -0.035 0.000 1.374 467 I CB -0.260 37.721 38.000 -0.032 0.000 1.057 467 I HN 0.091 nan 8.210 nan 0.000 0.413 468 I N 0.271 120.817 120.570 -0.040 0.000 2.264 468 I HA -0.342 3.754 4.170 -0.123 0.000 0.248 468 I C 2.661 178.747 176.117 -0.051 0.000 1.111 468 I CA 1.488 62.762 61.300 -0.044 0.000 1.382 468 I CB -0.460 37.518 38.000 -0.037 0.000 1.060 468 I HN 0.377 nan 8.210 nan 0.000 0.418 469 Q N 0.886 120.657 119.800 -0.049 0.000 2.119 469 Q HA -0.163 4.103 4.340 -0.123 0.000 0.201 469 Q C 2.394 178.350 176.000 -0.073 0.000 0.972 469 Q CA 1.235 57.004 55.803 -0.057 0.000 0.847 469 Q CB 0.111 28.821 28.738 -0.045 0.000 0.903 469 Q HN 0.532 nan 8.270 nan 0.000 0.433 470 L N -0.571 120.613 121.223 -0.065 0.000 2.072 470 L HA -0.153 4.113 4.340 -0.123 0.000 0.205 470 L C 2.302 179.119 176.870 -0.088 0.000 1.079 470 L CA 0.540 55.337 54.840 -0.071 0.000 0.752 470 L CB -0.221 41.806 42.059 -0.055 0.000 0.906 470 L HN 0.111 nan 8.230 nan 0.000 0.436 471 V N 0.288 120.155 119.914 -0.079 0.000 2.295 471 V HA -0.312 3.734 4.120 -0.123 0.000 0.246 471 V C 1.964 177.994 176.094 -0.106 0.000 1.049 471 V CA 2.320 64.572 62.300 -0.080 0.000 1.024 471 V CB -0.759 31.025 31.823 -0.064 0.000 0.648 471 V HN 0.522 nan 8.190 nan 0.000 0.447 472 N N 0.129 118.757 118.700 -0.120 0.000 2.106 472 N HA -0.097 4.569 4.740 -0.123 0.000 0.188 472 N C 1.940 177.196 175.510 -0.424 0.000 1.029 472 N CA 1.205 54.151 53.050 -0.173 0.000 0.848 472 N CB -0.324 38.101 38.487 -0.103 0.000 1.007 472 N HN 0.466 nan 8.380 nan 0.000 0.423 473 A N 1.422 124.062 122.820 -0.300 0.000 1.873 473 A HA -0.078 4.168 4.320 -0.123 0.000 0.215 473 A C 1.728 179.109 177.584 -0.339 0.000 1.186 473 A CA 1.354 53.204 52.037 -0.312 0.000 0.616 473 A CB -0.050 18.855 19.000 -0.159 0.000 0.823 473 A HN 0.039 nan 8.150 nan 0.000 0.442 474 K N -0.685 119.586 120.400 -0.216 0.000 2.444 474 K HA 0.041 4.287 4.320 -0.123 0.000 0.193 474 K C -0.112 176.457 176.600 -0.051 0.000 1.024 474 K CA 0.217 56.435 56.287 -0.115 0.000 1.077 474 K CB -0.401 32.059 32.500 -0.067 0.000 0.833 474 K HN 0.620 nan 8.250 nan 0.000 0.517 475 H N -0.272 118.773 119.070 -0.041 0.000 2.884 475 H HA -0.197 4.284 4.556 -0.123 0.000 0.289 475 H C -0.098 175.188 175.328 -0.070 0.000 1.142 475 H CA 0.610 56.630 56.048 -0.048 0.000 1.158 475 H CB -2.016 27.726 29.762 -0.035 0.000 1.325 475 H HN 0.224 nan 8.280 nan 0.000 0.366 476 I N 2.308 122.876 120.570 -0.003 0.000 2.517 476 I HA 0.046 4.142 4.170 -0.123 0.000 0.285 476 I C -1.365 174.674 176.117 -0.130 0.000 1.106 476 I CA -1.364 59.896 61.300 -0.066 0.000 1.402 476 I CB 0.571 38.528 38.000 -0.072 0.000 1.399 476 I HN -0.165 nan 8.210 nan 0.000 0.535 477 P HA -0.118 nan 4.420 nan 0.000 0.268 477 P C 0.428 177.491 177.300 -0.395 0.000 1.189 477 P CA 0.171 63.025 63.100 -0.410 0.000 0.771 477 P CB 0.692 31.859 31.700 -0.889 0.000 0.822 478 A N 2.619 125.281 122.820 -0.263 0.000 2.015 478 A HA -0.195 4.051 4.320 -0.123 0.000 0.219 478 A C 1.661 179.201 177.584 -0.073 0.000 1.163 478 A CA 1.485 53.448 52.037 -0.124 0.000 0.646 478 A CB -1.543 17.438 19.000 -0.033 0.000 0.806 478 A HN 0.761 nan 8.150 nan 0.000 0.448 479 Y N -1.484 118.815 120.300 -0.001 0.000 2.571 479 Y HA 0.199 4.675 4.550 -0.123 0.000 0.294 479 Y C 1.635 177.538 175.900 0.006 0.000 1.141 479 Y CA 1.039 59.141 58.100 0.003 0.000 1.308 479 Y CB -0.288 38.178 38.460 0.009 0.000 1.002 479 Y HN 0.120 nan 8.280 nan 0.000 0.551 480 K N 1.214 121.549 120.400 -0.109 0.000 2.505 480 K HA 0.171 4.417 4.320 -0.123 0.000 0.192 480 K C 1.111 177.693 176.600 -0.030 0.000 1.025 480 K CA 0.302 56.560 56.287 -0.050 0.000 1.086 480 K CB -0.577 31.835 32.500 -0.147 0.000 0.840 480 K HN 0.516 nan 8.250 nan 0.000 0.514 481 L N -0.022 121.188 121.223 -0.022 0.000 1.988 481 L HA -0.118 4.148 4.340 -0.123 0.000 0.207 481 L C 1.591 178.453 176.870 -0.013 0.000 1.071 481 L CA 1.452 56.278 54.840 -0.024 0.000 0.744 481 L CB -0.214 41.828 42.059 -0.028 0.000 0.893 481 L HN 0.222 nan 8.230 nan 0.000 0.433 482 E N -0.712 119.494 120.200 0.010 0.000 2.472 482 E HA -0.151 4.125 4.350 -0.123 0.000 0.200 482 E C 1.644 178.235 176.600 -0.016 0.000 1.046 482 E CA 1.277 57.677 56.400 0.001 0.000 0.871 482 E CB 0.007 29.751 29.700 0.073 0.000 0.806 482 E HN 0.526 nan 8.360 nan 0.000 0.533 483 T N -2.430 112.127 114.554 0.005 0.000 3.086 483 T HA 0.173 4.449 4.350 -0.123 0.000 0.250 483 T C 1.354 176.046 174.700 -0.013 0.000 1.074 483 T CA -0.115 61.987 62.100 0.004 0.000 0.988 483 T CB 0.277 69.162 68.868 0.029 0.000 0.988 483 T HN 0.142 nan 8.240 nan 0.000 0.530 484 L N -1.102 120.107 121.223 -0.023 0.000 2.854 484 L HA 0.561 4.827 4.340 -0.123 0.000 0.249 484 L C -0.533 176.317 176.870 -0.032 0.000 1.091 484 L CA -0.221 54.603 54.840 -0.027 0.000 0.935 484 L CB 0.720 42.761 42.059 -0.029 0.000 1.367 484 L HN 0.089 nan 8.230 nan 0.000 0.524 485 I N 0.694 121.241 120.570 -0.038 0.000 2.577 485 I HA 0.076 4.172 4.170 -0.123 0.000 0.300 485 I C 1.206 177.290 176.117 -0.054 0.000 0.990 485 I CA 0.073 61.349 61.300 -0.039 0.000 1.283 485 I CB 1.689 39.670 38.000 -0.033 0.000 1.411 485 I HN 0.225 nan 8.210 nan 0.000 0.515 486 E N 2.151 122.325 120.200 -0.042 0.000 1.995 486 E HA -0.156 4.120 4.350 -0.123 0.000 0.207 486 E C 0.442 176.995 176.600 -0.078 0.000 1.016 486 E CA 1.440 57.812 56.400 -0.047 0.000 0.865 486 E CB -0.821 28.865 29.700 -0.023 0.000 0.797 486 E HN 0.680 nan 8.360 nan 0.000 0.491 487 T N -1.933 112.596 114.554 -0.043 0.000 2.874 487 T HA 0.188 4.464 4.350 -0.123 0.000 0.281 487 T C 0.505 175.184 174.700 -0.035 0.000 0.994 487 T CA -0.258 61.823 62.100 -0.032 0.000 1.015 487 T CB 1.090 69.989 68.868 0.052 0.000 1.028 487 T HN 0.204 nan 8.240 nan 0.000 0.523 488 H N -0.280 118.835 119.070 0.074 0.000 2.326 488 H HA 0.014 4.496 4.556 -0.122 0.000 0.301 488 H C 2.316 177.651 175.328 0.011 0.000 1.081 488 H CA 1.942 58.026 56.048 0.060 0.000 1.334 488 H CB 0.116 29.973 29.762 0.158 0.000 1.385 488 H HN 0.878 nan 8.280 nan 0.000 0.504 489 E N 0.930 121.285 120.200 0.258 0.000 2.058 489 E HA -0.245 4.031 4.350 -0.123 0.000 0.194 489 E C 2.169 178.884 176.600 0.192 0.000 0.997 489 E CA 1.579 58.130 56.400 0.252 0.000 0.801 489 E CB 0.104 29.989 29.700 0.309 0.000 0.746 489 E HN 0.482 nan 8.360 nan 0.000 0.450 490 R N -0.380 120.199 120.500 0.132 0.000 2.235 490 R HA 0.066 4.332 4.340 -0.123 0.000 0.213 490 R C 2.099 178.414 176.300 0.025 0.000 1.059 490 R CA 1.248 57.404 56.100 0.093 0.000 0.997 490 R CB -0.695 29.646 30.300 0.067 0.000 0.884 490 R HN 0.139 nan 8.270 nan 0.000 0.462 491 G N 0.967 109.771 108.800 0.006 0.000 2.402 491 G HA2 -0.211 3.675 3.960 -0.123 0.000 0.216 491 G HA3 -0.211 3.675 3.960 -0.123 0.000 0.216 491 G C 1.458 176.319 174.900 -0.065 0.000 1.162 491 G CA 0.850 45.933 45.100 -0.028 0.000 0.777 491 G HN 0.289 nan 8.290 nan 0.000 0.539 492 V N -0.670 119.180 119.914 -0.106 0.000 2.591 492 V HA -0.045 4.001 4.120 -0.123 0.000 0.249 492 V C 2.590 178.557 176.094 -0.210 0.000 1.053 492 V CA 2.478 64.677 62.300 -0.168 0.000 1.068 492 V CB -0.320 31.343 31.823 -0.267 0.000 0.689 492 V HN 0.321 nan 8.190 nan 0.000 0.462 493 S N 0.326 115.917 115.700 -0.182 0.000 2.359 493 S HA -0.168 4.228 4.470 -0.123 0.000 0.224 493 S C 2.004 176.499 174.600 -0.175 0.000 1.035 493 S CA 2.138 60.177 58.200 -0.268 0.000 1.018 493 S CB -0.508 62.684 63.200 -0.014 0.000 0.876 493 S HN 0.578 nan 8.310 nan 0.000 0.448 494 I N 1.731 122.243 120.570 -0.097 0.000 2.226 494 I HA -0.105 3.991 4.170 -0.123 0.000 0.245 494 I C 2.683 178.748 176.117 -0.087 0.000 1.100 494 I CA 1.415 62.671 61.300 -0.074 0.000 1.374 494 I CB -1.373 36.596 38.000 -0.051 0.000 1.057 494 I HN 0.425 nan 8.210 nan 0.000 0.413 495 R N 1.211 121.654 120.500 -0.095 0.000 2.083 495 R HA -0.169 4.097 4.340 -0.123 0.000 0.237 495 R C 2.499 178.740 176.300 -0.098 0.000 1.137 495 R CA 1.446 57.498 56.100 -0.082 0.000 0.951 495 R CB -0.059 30.200 30.300 -0.069 0.000 0.851 495 R HN 0.351 nan 8.270 nan 0.000 0.434 496 R N 0.161 120.568 120.500 -0.156 0.000 2.096 496 R HA -0.163 4.103 4.340 -0.123 0.000 0.235 496 R C 2.331 178.557 176.300 -0.122 0.000 1.127 496 R CA 1.640 57.641 56.100 -0.165 0.000 0.968 496 R CB -0.464 29.667 30.300 -0.281 0.000 0.861 496 R HN 0.467 nan 8.270 nan 0.000 0.440 497 Q N 0.490 120.219 119.800 -0.118 0.000 2.119 497 Q HA -0.106 4.160 4.340 -0.123 0.000 0.201 497 Q C 2.076 178.041 176.000 -0.059 0.000 0.972 497 Q CA 0.954 56.708 55.803 -0.081 0.000 0.847 497 Q CB -0.061 28.634 28.738 -0.071 0.000 0.903 497 Q HN 0.137 nan 8.270 nan 0.000 0.433 498 L N 0.190 121.379 121.223 -0.057 0.000 2.056 498 L HA -0.164 4.102 4.340 -0.123 0.000 0.207 498 L C 2.098 178.948 176.870 -0.033 0.000 1.078 498 L CA 1.289 56.105 54.840 -0.040 0.000 0.749 498 L CB -0.777 41.259 42.059 -0.038 0.000 0.901 498 L HN 0.245 nan 8.230 nan 0.000 0.433 499 L N -1.295 119.905 121.223 -0.039 0.000 2.027 499 L HA -0.135 4.131 4.340 -0.123 0.000 0.206 499 L C 2.509 179.360 176.870 -0.030 0.000 1.074 499 L CA 1.612 56.433 54.840 -0.031 0.000 0.745 499 L CB -0.814 41.223 42.059 -0.036 0.000 0.898 499 L HN 0.169 nan 8.230 nan 0.000 0.433 500 S N -0.403 115.272 115.700 -0.042 0.000 2.387 500 S HA -0.268 4.128 4.470 -0.123 0.000 0.230 500 S C 2.007 176.591 174.600 -0.026 0.000 1.035 500 S CA 1.638 59.816 58.200 -0.037 0.000 1.014 500 S CB -0.374 62.797 63.200 -0.049 0.000 0.836 500 S HN 0.433 nan 8.310 nan 0.000 0.466 501 K N 0.923 121.308 120.400 -0.025 0.000 2.148 501 K HA -0.021 4.225 4.320 -0.123 0.000 0.204 501 K C 1.735 178.328 176.600 -0.012 0.000 1.050 501 K CA 1.006 57.282 56.287 -0.018 0.000 0.942 501 K CB -0.017 32.473 32.500 -0.017 0.000 0.724 501 K HN 0.221 nan 8.250 nan 0.000 0.446 502 K N 0.085 120.479 120.400 -0.011 0.000 2.432 502 K HA 0.006 4.252 4.320 -0.123 0.000 0.196 502 K C 0.001 176.598 176.600 -0.005 0.000 1.038 502 K CA 0.051 56.334 56.287 -0.006 0.000 0.986 502 K CB 0.219 32.718 32.500 -0.003 0.000 0.782 502 K HN -0.025 nan 8.250 nan 0.000 0.485 503 L N 0.692 121.910 121.223 -0.008 0.000 2.418 503 L HA 0.047 4.313 4.340 -0.123 0.000 0.265 503 L C 1.595 178.463 176.870 -0.004 0.000 1.143 503 L CA 0.414 55.251 54.840 -0.006 0.000 0.809 503 L CB 1.276 43.331 42.059 -0.008 0.000 1.124 503 L HN 0.041 nan 8.230 nan 0.000 0.456 504 S N -0.133 115.566 115.700 -0.002 0.000 2.481 504 S HA 0.008 4.404 4.470 -0.123 0.000 0.231 504 S C 0.633 175.233 174.600 -0.000 0.000 0.996 504 S CA 0.515 58.714 58.200 -0.000 0.000 0.942 504 S CB 0.032 63.233 63.200 0.001 0.000 0.768 504 S HN 0.608 nan 8.310 nan 0.000 0.520 505 E N 1.384 121.583 120.200 -0.001 0.000 2.675 505 E HA 0.342 4.618 4.350 -0.123 0.000 0.236 505 E C -2.574 174.023 176.600 -0.004 0.000 1.059 505 E CA -2.274 54.126 56.400 0.000 0.000 0.775 505 E CB 1.636 31.339 29.700 0.006 0.000 1.356 505 E HN 0.064 nan 8.360 nan 0.000 0.403 506 P HA -0.095 nan 4.420 nan 0.000 0.222 506 P C 1.057 178.344 177.300 -0.022 0.000 1.142 506 P CA 0.865 63.955 63.100 -0.016 0.000 0.788 506 P CB 0.419 32.109 31.700 -0.016 0.000 0.767 507 S N -1.881 113.809 115.700 -0.016 0.000 2.575 507 S HA 0.045 4.441 4.470 -0.123 0.000 0.215 507 S C 1.792 176.382 174.600 -0.017 0.000 0.966 507 S CA 0.223 58.409 58.200 -0.023 0.000 0.911 507 S CB -0.781 62.410 63.200 -0.015 0.000 0.780 507 S HN -0.004 nan 8.310 nan 0.000 0.514 508 S N 2.032 117.729 115.700 -0.005 0.000 2.380 508 S HA -0.104 4.292 4.470 -0.123 0.000 0.229 508 S C 1.534 176.138 174.600 0.007 0.000 1.043 508 S CA 1.506 59.712 58.200 0.009 0.000 1.038 508 S CB -0.446 62.757 63.200 0.004 0.000 0.872 508 S HN 0.567 nan 8.310 nan 0.000 0.456 509 L N 1.418 122.628 121.223 -0.022 0.000 2.465 509 L HA -0.054 4.212 4.340 -0.123 0.000 0.224 509 L C 2.568 179.409 176.870 -0.049 0.000 1.145 509 L CA 0.530 55.350 54.840 -0.032 0.000 0.834 509 L CB -0.651 41.371 42.059 -0.061 0.000 0.944 509 L HN 0.420 nan 8.230 nan 0.000 0.451 510 Q N 0.835 120.578 119.800 -0.095 0.000 2.165 510 Q HA -0.278 3.988 4.340 -0.123 0.000 0.215 510 Q C 1.330 177.125 176.000 -0.341 0.000 1.010 510 Q CA 2.307 57.966 55.803 -0.241 0.000 0.896 510 Q CB -0.194 28.333 28.738 -0.353 0.000 0.956 510 Q HN 0.593 nan 8.270 nan 0.000 0.413 511 Y N -0.435 119.866 120.300 0.001 0.000 2.524 511 Y HA 0.263 4.739 4.550 -0.123 0.000 0.266 511 Y C 0.191 176.072 175.900 -0.031 0.000 1.180 511 Y CA -0.541 57.554 58.100 -0.008 0.000 1.244 511 Y CB 0.707 39.161 38.460 -0.010 0.000 1.125 511 Y HN 0.128 nan 8.280 nan 0.000 0.524 512 L N 3.763 125.022 121.223 0.059 0.000 2.268 512 L HA 0.356 4.622 4.340 -0.123 0.000 0.289 512 L C -2.527 174.317 176.870 -0.044 0.000 1.064 512 L CA -1.862 52.970 54.840 -0.013 0.000 0.824 512 L CB 0.911 42.957 42.059 -0.022 0.000 1.202 512 L HN -0.052 nan 8.230 nan 0.000 0.433 513 P HA 0.033 nan 4.420 nan 0.000 0.269 513 P C -0.869 176.254 177.300 -0.296 0.000 1.209 513 P CA 0.381 63.284 63.100 -0.328 0.000 0.776 513 P CB 0.401 31.657 31.700 -0.740 0.000 0.876 514 Y N -0.725 119.499 120.300 -0.126 0.000 2.463 514 Y HA 0.342 4.817 4.550 -0.124 0.000 0.288 514 Y C 0.330 176.478 175.900 0.413 0.000 1.041 514 Y CA -0.475 57.732 58.100 0.177 0.000 1.054 514 Y CB 0.011 38.547 38.460 0.127 0.000 1.380 514 Y HN -0.002 nan 8.280 nan 0.000 0.581 515 R N 2.780 123.045 120.500 -0.391 0.000 2.615 515 R HA 0.137 4.403 4.340 -0.123 0.000 0.270 515 R C -0.563 175.788 176.300 0.085 0.000 1.081 515 R CA 0.329 56.278 56.100 -0.252 0.000 1.154 515 R CB 0.028 30.073 30.300 -0.425 0.000 1.063 515 R HN 0.302 nan 8.270 nan 0.000 0.519 516 D N 0.625 121.072 120.400 0.079 0.000 2.705 516 D HA -0.247 4.319 4.640 -0.123 0.000 0.240 516 D C -1.221 175.113 176.300 0.057 0.000 1.137 516 D CA 1.303 55.339 54.000 0.061 0.000 0.677 516 D CB -0.879 39.942 40.800 0.035 0.000 1.049 516 D HN 0.421 nan 8.370 nan 0.000 0.427 517 Y N 0.496 120.726 120.300 -0.118 0.000 2.470 517 Y HA 0.327 4.802 4.550 -0.125 0.000 0.341 517 Y C -0.338 175.315 175.900 -0.412 0.000 1.021 517 Y CA -1.296 56.587 58.100 -0.363 0.000 1.025 517 Y CB 1.201 39.323 38.460 -0.563 0.000 1.266 517 Y HN -0.173 nan 8.280 nan 0.000 0.448 518 N N 4.622 122.599 118.700 -1.205 0.000 2.498 518 N HA 0.018 4.684 4.740 -0.123 0.000 0.277 518 N C -0.175 174.907 175.510 -0.713 0.000 1.208 518 N CA 0.586 53.173 53.050 -0.771 0.000 1.029 518 N CB -0.326 37.795 38.487 -0.611 0.000 1.403 518 N HN 0.730 nan 8.380 nan 0.000 0.500 519 Y N 0.176 120.335 120.300 -0.236 0.000 2.516 519 Y HA -0.131 4.345 4.550 -0.123 0.000 0.291 519 Y C 2.418 178.083 175.900 -0.393 0.000 1.131 519 Y CA 0.618 58.633 58.100 -0.143 0.000 1.281 519 Y CB 0.111 38.554 38.460 -0.028 0.000 1.013 519 Y HN 0.518 nan 8.280 nan 0.000 0.554 520 S N -0.133 115.314 115.700 -0.423 0.000 2.370 520 S HA -0.197 4.199 4.470 -0.123 0.000 0.226 520 S C 1.734 176.250 174.600 -0.140 0.000 1.033 520 S CA 1.271 59.240 58.200 -0.386 0.000 1.011 520 S CB -0.660 62.438 63.200 -0.171 0.000 0.852 520 S HN 0.284 nan 8.310 nan 0.000 0.457 521 L N 1.061 122.211 121.223 -0.122 0.000 2.313 521 L HA 0.216 4.482 4.340 -0.123 0.000 0.214 521 L C 2.486 179.349 176.870 -0.011 0.000 1.119 521 L CA 0.623 55.424 54.840 -0.064 0.000 0.809 521 L CB -0.814 41.190 42.059 -0.092 0.000 0.933 521 L HN 0.244 nan 8.230 nan 0.000 0.449 522 V N -1.473 118.456 119.914 0.025 0.000 2.535 522 V HA -0.028 4.018 4.120 -0.123 0.000 0.246 522 V C 1.328 177.481 176.094 0.097 0.000 1.045 522 V CA 0.350 62.712 62.300 0.103 0.000 1.058 522 V CB -0.288 31.675 31.823 0.234 0.000 0.689 522 V HN 0.195 nan 8.190 nan 0.000 0.461 523 M N 0.561 120.213 119.600 0.086 0.000 2.252 523 M HA 0.223 4.629 4.480 -0.123 0.000 0.348 523 M C 1.454 177.799 176.300 0.074 0.000 1.334 523 M CA 0.943 56.301 55.300 0.096 0.000 1.071 523 M CB -0.979 31.698 32.600 0.128 0.000 1.763 523 M HN 0.440 nan 8.290 nan 0.000 0.452 524 G N 2.596 111.438 108.800 0.069 0.000 2.187 524 G HA2 -0.173 3.713 3.960 -0.123 0.000 0.261 524 G HA3 -0.173 3.713 3.960 -0.123 0.000 0.261 524 G C 0.583 175.505 174.900 0.036 0.000 1.000 524 G CA 0.954 46.084 45.100 0.050 0.000 0.718 524 G HN 1.035 nan 8.290 nan 0.000 0.519 525 A N -2.789 120.053 122.820 0.038 0.000 1.704 525 A HA 0.472 4.718 4.320 -0.123 0.000 0.211 525 A C 1.751 179.352 177.584 0.029 0.000 1.792 525 A CA 1.616 53.670 52.037 0.028 0.000 1.264 525 A CB -0.136 18.878 19.000 0.023 0.000 1.235 525 A HN 0.887 nan 8.150 nan 0.000 0.440 526 C N -1.053 118.273 119.300 0.043 0.000 3.364 526 C HA 0.602 4.988 4.460 -0.123 0.000 0.340 526 C C 0.566 175.587 174.990 0.052 0.000 1.336 526 C CA -0.148 58.897 59.018 0.045 0.000 1.778 526 C CB -0.641 27.131 27.740 0.053 0.000 2.398 526 C HN 0.684 nan 8.230 nan 0.000 0.667 527 C N 0.819 120.157 119.300 0.063 0.000 3.307 527 C HA 0.614 5.000 4.460 -0.123 0.000 0.333 527 C C -1.946 173.079 174.990 0.059 0.000 1.291 527 C CA -0.234 58.821 59.018 0.062 0.000 1.273 527 C CB 1.134 28.927 27.740 0.088 0.000 1.580 527 C HN 0.515 nan 8.230 nan 0.000 0.481 528 E N 1.606 121.828 120.200 0.038 0.000 2.359 528 E HA 0.546 4.822 4.350 -0.123 0.000 0.266 528 E C -0.358 176.264 176.600 0.037 0.000 0.920 528 E CA -0.446 55.969 56.400 0.025 0.000 0.788 528 E CB 0.628 30.307 29.700 -0.035 0.000 1.279 528 E HN 0.598 nan 8.360 nan 0.000 0.438 529 N N -0.569 118.166 118.700 0.057 0.000 2.716 529 N HA -0.145 4.521 4.740 -0.123 0.000 0.250 529 N C -0.950 174.587 175.510 0.045 0.000 1.033 529 N CA 0.473 53.566 53.050 0.072 0.000 0.727 529 N CB -1.623 36.906 38.487 0.069 0.000 0.950 529 N HN 0.213 nan 8.380 nan 0.000 0.541 530 V N 1.201 121.140 119.914 0.042 0.000 2.540 530 V HA 0.014 4.059 4.120 -0.123 0.000 0.297 530 V C 1.918 178.007 176.094 -0.008 0.000 1.024 530 V CA 0.427 62.753 62.300 0.043 0.000 1.105 530 V CB 0.484 32.352 31.823 0.075 0.000 0.938 530 V HN 0.409 nan 8.190 nan 0.000 0.482 531 I N 1.416 121.995 120.570 0.014 0.000 4.147 531 I HA 0.763 4.859 4.170 -0.123 0.000 0.329 531 I C 0.676 176.799 176.117 0.011 0.000 1.424 531 I CA 0.267 61.547 61.300 -0.034 0.000 1.127 531 I CB 0.439 38.412 38.000 -0.045 0.000 1.128 531 I HN 0.755 nan 8.210 nan 0.000 0.417 532 G N 1.634 110.516 108.800 0.136 0.000 2.291 532 G HA2 0.162 4.048 3.960 -0.123 0.000 0.249 532 G HA3 0.162 4.048 3.960 -0.123 0.000 0.249 532 G C -1.821 173.186 174.900 0.178 0.000 1.340 532 G CA -0.250 44.976 45.100 0.210 0.000 1.017 532 G HN 0.457 nan 8.290 nan 0.000 0.470 533 Y N -2.425 117.869 120.300 -0.010 0.000 2.571 533 Y HA 0.864 5.339 4.550 -0.125 0.000 0.341 533 Y C -0.582 175.274 175.900 -0.075 0.000 1.076 533 Y CA -1.854 56.158 58.100 -0.146 0.000 1.029 533 Y CB 1.951 40.126 38.460 -0.474 0.000 1.308 533 Y HN 0.798 nan 8.280 nan 0.000 0.461 534 M N 4.206 123.864 119.600 0.097 0.000 2.066 534 M HA 0.599 5.005 4.480 -0.123 0.000 0.340 534 M C -3.000 173.379 176.300 0.132 0.000 1.053 534 M CA -2.825 52.510 55.300 0.057 0.000 0.983 534 M CB 0.847 33.468 32.600 0.035 0.000 1.520 534 M HN 0.495 nan 8.290 nan 0.000 0.428 535 P HA 0.331 nan 4.420 nan 0.000 0.282 535 P C -1.235 176.111 177.300 0.077 0.000 1.274 535 P CA -0.217 62.970 63.100 0.145 0.000 0.770 535 P CB 0.334 32.127 31.700 0.155 0.000 0.867 536 I N 5.130 125.738 120.570 0.064 0.000 2.362 536 I HA 0.302 4.398 4.170 -0.123 0.000 0.289 536 I C -2.142 173.997 176.117 0.038 0.000 0.994 536 I CA -3.226 58.100 61.300 0.043 0.000 1.158 536 I CB 0.860 38.883 38.000 0.038 0.000 1.315 536 I HN 0.151 nan 8.210 nan 0.000 0.451 537 P HA 0.101 nan 4.420 nan 0.000 0.265 537 P C -0.543 176.772 177.300 0.025 0.000 1.193 537 P CA 0.018 63.134 63.100 0.027 0.000 0.765 537 P CB 0.602 32.314 31.700 0.021 0.000 0.823 538 V N 3.528 123.456 119.914 0.024 0.000 2.384 538 V HA 0.656 4.702 4.120 -0.123 0.000 0.287 538 V C 0.769 176.875 176.094 0.020 0.000 1.020 538 V CA -0.246 62.067 62.300 0.022 0.000 0.850 538 V CB 1.468 33.303 31.823 0.021 0.000 0.987 538 V HN 0.757 nan 8.190 nan 0.000 0.436 539 G N 2.483 111.294 108.800 0.020 0.000 2.537 539 G HA2 0.676 4.562 3.960 -0.123 0.000 0.323 539 G HA3 0.676 4.562 3.960 -0.123 0.000 0.323 539 G C -1.360 173.552 174.900 0.021 0.000 1.207 539 G CA -0.716 44.395 45.100 0.019 0.000 0.976 539 G HN 0.675 nan 8.290 nan 0.000 0.487 540 V N -0.310 119.616 119.914 0.021 0.000 2.604 540 V HA 0.822 4.868 4.120 -0.123 0.000 0.305 540 V C -0.340 175.769 176.094 0.026 0.000 1.043 540 V CA -0.464 61.851 62.300 0.025 0.000 0.888 540 V CB 1.397 33.235 31.823 0.025 0.000 0.995 540 V HN 1.352 nan 8.190 nan 0.000 0.429 541 A N 4.550 127.388 122.820 0.030 0.000 2.343 541 A HA 1.047 5.293 4.320 -0.123 0.000 0.316 541 A C 0.124 177.732 177.584 0.041 0.000 1.104 541 A CA 0.188 52.244 52.037 0.031 0.000 0.768 541 A CB 1.353 20.369 19.000 0.027 0.000 1.213 541 A HN 2.221 nan 8.150 nan 0.000 0.456 542 G N 1.589 110.412 108.800 0.038 0.000 2.341 542 G HA2 0.484 4.370 3.960 -0.123 0.000 0.293 542 G HA3 0.484 4.370 3.960 -0.123 0.000 0.293 542 G C -3.408 171.512 174.900 0.033 0.000 1.298 542 G CA -0.396 44.732 45.100 0.047 0.000 0.868 542 G HN 0.710 nan 8.290 nan 0.000 0.540 543 P HA 0.454 nan 4.420 nan 0.000 0.275 543 P C -0.793 176.544 177.300 0.062 0.000 1.228 543 P CA -0.312 62.814 63.100 0.042 0.000 0.786 543 P CB 1.776 33.484 31.700 0.015 0.000 0.927 544 L N 4.560 125.850 121.223 0.112 0.000 2.262 544 L HA 0.283 4.549 4.340 -0.123 0.000 0.288 544 L C -0.637 176.331 176.870 0.163 0.000 1.035 544 L CA -0.557 54.362 54.840 0.133 0.000 0.820 544 L CB -0.127 42.029 42.059 0.161 0.000 1.204 544 L HN 0.355 nan 8.230 nan 0.000 0.424 545 C N 6.403 125.762 119.300 0.098 0.000 2.289 545 C HA 0.543 4.929 4.460 -0.123 0.000 0.340 545 C C -0.019 175.037 174.990 0.110 0.000 1.152 545 C CA -0.695 58.370 59.018 0.079 0.000 1.650 545 C CB -1.039 26.723 27.740 0.038 0.000 2.203 545 C HN 0.683 nan 8.230 nan 0.000 0.511 546 L N 4.215 125.549 121.223 0.185 0.000 2.409 546 L HA 0.471 4.737 4.340 -0.123 0.000 0.272 546 L C -0.115 176.871 176.870 0.192 0.000 0.980 546 L CA 0.499 55.454 54.840 0.191 0.000 0.826 546 L CB 0.921 43.117 42.059 0.228 0.000 1.268 546 L HN 0.690 nan 8.230 nan 0.000 0.407 547 D N 4.202 124.670 120.400 0.113 0.000 2.689 547 D HA -0.244 4.322 4.640 -0.123 0.000 0.237 547 D C 0.142 176.482 176.300 0.068 0.000 1.148 547 D CA 1.237 55.290 54.000 0.089 0.000 0.656 547 D CB -0.469 40.393 40.800 0.103 0.000 1.050 547 D HN 0.970 nan 8.370 nan 0.000 0.426 548 E N -2.272 117.954 120.200 0.044 0.000 2.971 548 E HA -0.269 4.007 4.350 -0.123 0.000 0.278 548 E C 0.116 176.699 176.600 -0.028 0.000 1.009 548 E CA 1.169 57.575 56.400 0.010 0.000 0.862 548 E CB -0.675 29.030 29.700 0.009 0.000 1.436 548 E HN 0.532 nan 8.360 nan 0.000 0.434 549 K N 0.153 120.526 120.400 -0.045 0.000 2.395 549 K HA 0.538 4.784 4.320 -0.123 0.000 0.245 549 K C -0.466 175.961 176.600 -0.289 0.000 1.017 549 K CA -0.759 55.397 56.287 -0.219 0.000 0.852 549 K CB 1.703 33.996 32.500 -0.344 0.000 1.311 549 K HN -0.045 nan 8.250 nan 0.000 0.452 550 E N 1.288 121.203 120.200 -0.475 0.000 2.199 550 E HA 0.338 4.614 4.350 -0.123 0.000 0.265 550 E C -1.360 174.935 176.600 -0.508 0.000 0.882 550 E CA -0.491 55.717 56.400 -0.319 0.000 0.759 550 E CB 1.332 30.934 29.700 -0.164 0.000 1.148 550 E HN 0.258 nan 8.360 nan 0.000 0.412 551 F N 1.321 121.271 119.950 0.001 0.000 2.508 551 F HA 0.277 4.742 4.527 -0.102 0.000 0.325 551 F C 0.382 176.183 175.800 0.002 0.000 1.090 551 F CA -0.993 57.008 58.000 0.001 0.000 0.945 551 F CB 1.691 40.692 39.000 0.002 0.000 1.156 551 F HN 0.106 nan 8.300 nan 0.000 0.463 552 Q N 3.073 122.982 119.800 0.183 0.000 2.400 552 Q HA 0.355 4.621 4.340 -0.123 0.000 0.255 552 Q C -0.862 175.203 176.000 0.107 0.000 1.008 552 Q CA -0.516 55.350 55.803 0.105 0.000 0.841 552 Q CB 1.924 30.699 28.738 0.061 0.000 1.220 552 Q HN 0.403 nan 8.270 nan 0.000 0.474 553 V N 5.421 125.387 119.914 0.087 0.000 2.408 553 V HA 0.249 4.295 4.120 -0.123 0.000 0.267 553 V C -1.888 174.229 176.094 0.038 0.000 1.047 553 V CA -1.533 60.801 62.300 0.057 0.000 0.937 553 V CB 0.764 32.610 31.823 0.038 0.000 0.999 553 V HN 0.510 nan 8.190 nan 0.000 0.472 554 P HA 0.376 nan 4.420 nan 0.000 0.281 554 P C -0.918 176.397 177.300 0.025 0.000 1.252 554 P CA -0.311 62.805 63.100 0.028 0.000 0.778 554 P CB 0.997 32.712 31.700 0.025 0.000 0.895 555 M N 2.592 122.206 119.600 0.024 0.000 2.124 555 M HA 0.434 4.840 4.480 -0.123 0.000 0.280 555 M C -0.442 175.871 176.300 0.023 0.000 0.954 555 M CA -0.610 54.703 55.300 0.022 0.000 0.958 555 M CB 2.446 35.055 32.600 0.015 0.000 1.611 555 M HN 0.281 nan 8.290 nan 0.000 0.449 556 A N 2.635 125.471 122.820 0.027 0.000 2.279 556 A HA 0.735 4.981 4.320 -0.123 0.000 0.306 556 A C -0.149 177.450 177.584 0.024 0.000 1.300 556 A CA -0.177 51.877 52.037 0.028 0.000 0.925 556 A CB 0.478 19.499 19.000 0.034 0.000 1.152 556 A HN 0.744 nan 8.150 nan 0.000 0.544 557 T N 0.135 114.701 114.554 0.021 0.000 2.821 557 T HA 0.546 4.822 4.350 -0.123 0.000 0.306 557 T C 0.502 175.212 174.700 0.016 0.000 1.313 557 T CA 0.376 62.486 62.100 0.017 0.000 1.012 557 T CB 1.389 70.266 68.868 0.014 0.000 1.298 557 T HN 0.981 nan 8.240 nan 0.000 0.502 558 T N -0.966 113.596 114.554 0.013 0.000 3.145 558 T HA 0.383 4.659 4.350 -0.123 0.000 0.281 558 T C 0.227 174.932 174.700 0.008 0.000 1.003 558 T CA -0.299 61.807 62.100 0.010 0.000 0.901 558 T CB -0.000 68.873 68.868 0.008 0.000 1.112 558 T HN 0.561 nan 8.240 nan 0.000 0.535 559 E N 1.602 121.808 120.200 0.011 0.000 2.089 559 E HA 0.496 4.772 4.350 -0.123 0.000 0.284 559 E C 0.498 177.106 176.600 0.012 0.000 1.023 559 E CA -0.740 55.666 56.400 0.012 0.000 0.819 559 E CB 0.553 30.264 29.700 0.018 0.000 1.076 559 E HN 0.505 nan 8.360 nan 0.000 0.396 560 G N 2.537 111.341 108.800 0.007 0.000 2.414 560 G HA2 0.029 3.915 3.960 -0.123 0.000 0.236 560 G HA3 0.029 3.915 3.960 -0.123 0.000 0.236 560 G C 0.571 175.476 174.900 0.008 0.000 1.293 560 G CA -0.010 45.093 45.100 0.005 0.000 0.869 560 G HN 0.936 nan 8.290 nan 0.000 0.556 561 C N 0.959 120.265 119.300 0.009 0.000 5.189 561 C HA -0.188 4.198 4.460 -0.123 0.000 0.253 561 C C 2.315 177.320 174.990 0.025 0.000 1.601 561 C CA 0.564 59.589 59.018 0.011 0.000 1.533 561 C CB -2.084 25.657 27.740 0.002 0.000 2.164 561 C HN 0.854 nan 8.230 nan 0.000 0.604 562 L N 1.513 122.756 121.223 0.033 0.000 1.994 562 L HA -0.036 4.230 4.340 -0.123 0.000 0.208 562 L C 2.282 179.181 176.870 0.048 0.000 1.071 562 L CA 2.676 57.549 54.840 0.056 0.000 0.745 562 L CB -0.683 41.407 42.059 0.052 0.000 0.892 562 L HN 0.325 nan 8.230 nan 0.000 0.431 563 V N 0.223 120.156 119.914 0.031 0.000 2.343 563 V HA -0.270 3.776 4.120 -0.123 0.000 0.247 563 V C 2.827 178.937 176.094 0.027 0.000 1.051 563 V CA 1.569 63.884 62.300 0.026 0.000 1.036 563 V CB -1.489 30.346 31.823 0.020 0.000 0.654 563 V HN 0.613 nan 8.190 nan 0.000 0.451 564 A N -0.553 122.281 122.820 0.024 0.000 1.883 564 A HA -0.266 3.980 4.320 -0.123 0.000 0.217 564 A C 2.575 180.174 177.584 0.024 0.000 1.186 564 A CA 2.435 54.484 52.037 0.020 0.000 0.624 564 A CB -0.911 18.098 19.000 0.014 0.000 0.822 564 A HN 0.476 nan 8.150 nan 0.000 0.444 565 S N -1.125 114.594 115.700 0.032 0.000 2.368 565 S HA -0.138 4.258 4.470 -0.123 0.000 0.225 565 S C 2.054 176.686 174.600 0.052 0.000 1.030 565 S CA 2.159 60.383 58.200 0.039 0.000 0.999 565 S CB -0.603 62.625 63.200 0.045 0.000 0.844 565 S HN 0.642 nan 8.310 nan 0.000 0.459 566 T N 1.978 116.567 114.554 0.058 0.000 2.788 566 T HA -0.069 4.207 4.350 -0.123 0.000 0.268 566 T C 1.779 176.500 174.700 0.034 0.000 1.044 566 T CA 1.249 63.378 62.100 0.048 0.000 1.139 566 T CB -0.590 68.296 68.868 0.030 0.000 0.867 566 T HN 0.545 nan 8.240 nan 0.000 0.454 567 N N 0.716 119.434 118.700 0.030 0.000 2.120 567 N HA -0.140 4.526 4.740 -0.123 0.000 0.188 567 N C 2.232 177.756 175.510 0.024 0.000 1.024 567 N CA 0.867 53.932 53.050 0.026 0.000 0.852 567 N CB -0.028 38.473 38.487 0.023 0.000 1.003 567 N HN 0.288 nan 8.380 nan 0.000 0.424 568 R N 0.301 120.815 120.500 0.023 0.000 2.105 568 R HA -0.101 4.165 4.340 -0.123 0.000 0.239 568 R C 2.201 178.513 176.300 0.021 0.000 1.135 568 R CA 1.724 57.836 56.100 0.020 0.000 0.967 568 R CB -0.518 29.792 30.300 0.017 0.000 0.861 568 R HN 0.224 nan 8.270 nan 0.000 0.442 569 G N 0.145 108.961 108.800 0.027 0.000 2.418 569 G HA2 -0.273 3.613 3.960 -0.123 0.000 0.217 569 G HA3 -0.273 3.613 3.960 -0.123 0.000 0.217 569 G C 1.545 176.458 174.900 0.022 0.000 1.158 569 G CA 0.927 46.043 45.100 0.026 0.000 0.771 569 G HN 0.447 nan 8.290 nan 0.000 0.545 570 C N -0.003 119.312 119.300 0.025 0.000 2.425 570 C HA 0.027 4.413 4.460 -0.123 0.000 0.277 570 C C 2.837 177.841 174.990 0.024 0.000 1.280 570 C CA 0.948 59.982 59.018 0.027 0.000 1.744 570 C CB -0.780 26.980 27.740 0.034 0.000 1.989 570 C HN 0.547 nan 8.230 nan 0.000 0.491 571 R N 1.903 122.416 120.500 0.020 0.000 2.083 571 R HA -0.087 4.179 4.340 -0.123 0.000 0.237 571 R C 2.155 178.464 176.300 0.015 0.000 1.137 571 R CA 2.188 58.298 56.100 0.017 0.000 0.951 571 R CB -0.753 29.556 30.300 0.015 0.000 0.851 571 R HN 0.414 nan 8.270 nan 0.000 0.434 572 A N 0.358 123.187 122.820 0.014 0.000 1.933 572 A HA -0.099 4.147 4.320 -0.123 0.000 0.218 572 A C 2.290 179.880 177.584 0.011 0.000 1.175 572 A CA 1.663 53.707 52.037 0.012 0.000 0.628 572 A CB -0.583 18.424 19.000 0.010 0.000 0.814 572 A HN 0.414 nan 8.150 nan 0.000 0.444 573 I N -0.608 119.969 120.570 0.012 0.000 2.286 573 I HA -0.154 3.942 4.170 -0.123 0.000 0.245 573 I C 2.720 178.847 176.117 0.016 0.000 1.104 573 I CA 1.029 62.335 61.300 0.011 0.000 1.397 573 I CB -0.648 37.360 38.000 0.013 0.000 1.072 573 I HN 0.394 nan 8.210 nan 0.000 0.417 574 G N 1.125 109.936 108.800 0.018 0.000 2.418 574 G HA2 -0.198 3.688 3.960 -0.123 0.000 0.217 574 G HA3 -0.198 3.688 3.960 -0.123 0.000 0.217 574 G C 1.671 176.579 174.900 0.014 0.000 1.158 574 G CA 0.445 45.555 45.100 0.017 0.000 0.771 574 G HN 0.278 nan 8.290 nan 0.000 0.545 575 L N 0.844 122.074 121.223 0.013 0.000 2.456 575 L HA 0.081 4.347 4.340 -0.123 0.000 0.224 575 L C 2.651 179.529 176.870 0.013 0.000 1.148 575 L CA 0.532 55.379 54.840 0.011 0.000 0.825 575 L CB -0.056 42.010 42.059 0.011 0.000 0.937 575 L HN 0.344 nan 8.230 nan 0.000 0.450 576 G N -1.565 107.243 108.800 0.014 0.000 3.088 576 G HA2 0.308 4.194 3.960 -0.123 0.000 0.217 576 G HA3 0.308 4.194 3.960 -0.123 0.000 0.217 576 G C 1.146 176.057 174.900 0.019 0.000 1.159 576 G CA 0.467 45.577 45.100 0.016 0.000 0.760 576 G HN 0.425 nan 8.290 nan 0.000 0.550 577 G N -1.371 107.440 108.800 0.017 0.000 2.144 577 G HA2 0.324 4.210 3.960 -0.123 0.000 0.218 577 G HA3 0.324 4.210 3.960 -0.123 0.000 0.218 577 G C 0.894 175.806 174.900 0.021 0.000 0.988 577 G CA 0.443 45.554 45.100 0.018 0.000 0.659 577 G HN 2.064 nan 8.290 nan 0.000 0.522 578 G N -1.174 107.639 108.800 0.021 0.000 2.795 578 G HA2 0.467 4.353 3.960 -0.123 0.000 0.664 578 G HA3 0.467 4.353 3.960 -0.123 0.000 0.664 578 G C 0.107 175.023 174.900 0.026 0.000 1.381 578 G CA 0.785 45.901 45.100 0.027 0.000 0.853 578 G HN 2.248 nan 8.290 nan 0.000 0.545 579 A N -0.274 122.566 122.820 0.033 0.000 2.337 579 A HA 0.948 5.194 4.320 -0.123 0.000 0.331 579 A C 0.289 177.894 177.584 0.035 0.000 1.137 579 A CA 0.490 52.541 52.037 0.023 0.000 0.807 579 A CB 1.821 20.830 19.000 0.014 0.000 1.250 579 A HN 1.830 nan 8.150 nan 0.000 0.468 580 S N 0.084 115.801 115.700 0.027 0.000 2.513 580 S HA 0.803 5.199 4.470 -0.123 0.000 0.299 580 S C -0.248 174.366 174.600 0.024 0.000 1.087 580 S CA -0.247 57.974 58.200 0.034 0.000 1.012 580 S CB 1.512 64.736 63.200 0.039 0.000 1.044 580 S HN 1.390 nan 8.310 nan 0.000 0.485 581 S N 2.611 118.326 115.700 0.024 0.000 2.588 581 S HA 0.811 5.207 4.470 -0.123 0.000 0.275 581 S C -1.565 173.042 174.600 0.011 0.000 1.130 581 S CA -1.096 57.111 58.200 0.011 0.000 0.855 581 S CB 1.571 64.770 63.200 -0.001 0.000 1.116 581 S HN 0.512 nan 8.310 nan 0.000 0.472 582 R N 0.752 121.254 120.500 0.003 0.000 2.651 582 R HA 0.523 4.789 4.340 -0.123 0.000 0.278 582 R C -1.622 174.674 176.300 -0.008 0.000 1.010 582 R CA -0.703 55.398 56.100 0.001 0.000 0.896 582 R CB 1.929 32.230 30.300 0.002 0.000 1.211 582 R HN 0.623 nan 8.270 nan 0.000 0.456 583 V N 4.990 124.899 119.914 -0.008 0.000 2.406 583 V HA 0.188 4.234 4.120 -0.123 0.000 0.272 583 V C 1.518 177.603 176.094 -0.016 0.000 1.043 583 V CA -0.058 62.234 62.300 -0.013 0.000 0.915 583 V CB 1.101 32.919 31.823 -0.009 0.000 0.988 583 V HN 0.621 nan 8.190 nan 0.000 0.466 584 L N 4.115 125.323 121.223 -0.025 0.000 2.354 584 L HA 0.513 4.779 4.340 -0.123 0.000 0.212 584 L C 0.893 177.743 176.870 -0.034 0.000 1.091 584 L CA 0.790 55.611 54.840 -0.033 0.000 0.828 584 L CB -0.032 41.998 42.059 -0.048 0.000 0.973 584 L HN 0.727 nan 8.230 nan 0.000 0.461 585 A N -0.670 122.132 122.820 -0.031 0.000 2.612 585 A HA 0.593 4.839 4.320 -0.123 0.000 0.293 585 A C -1.954 175.621 177.584 -0.015 0.000 1.075 585 A CA -0.415 51.606 52.037 -0.027 0.000 0.680 585 A CB 1.752 20.727 19.000 -0.042 0.000 1.279 585 A HN -0.030 nan 8.150 nan 0.000 0.411 586 D N -0.202 120.195 120.400 -0.005 0.000 2.616 586 D HA 0.570 5.136 4.640 -0.123 0.000 0.238 586 D C -0.521 175.790 176.300 0.018 0.000 1.354 586 D CA 0.831 54.835 54.000 0.006 0.000 0.970 586 D CB 1.492 42.297 40.800 0.008 0.000 1.369 586 D HN 1.464 nan 8.370 nan 0.000 0.585 587 G N 2.522 111.336 108.800 0.023 0.000 2.139 587 G HA2 0.381 4.267 3.960 -0.123 0.000 0.315 587 G HA3 0.381 4.267 3.960 -0.123 0.000 0.315 587 G C -0.968 173.963 174.900 0.050 0.000 1.599 587 G CA -0.914 44.211 45.100 0.041 0.000 0.960 587 G HN 0.373 nan 8.290 nan 0.000 0.615 588 M N 2.445 122.088 119.600 0.071 0.000 2.241 588 M HA 0.749 5.155 4.480 -0.123 0.000 0.335 588 M C 0.766 177.133 176.300 0.112 0.000 1.122 588 M CA -0.272 55.078 55.300 0.083 0.000 1.164 588 M CB 0.882 33.534 32.600 0.085 0.000 1.459 588 M HN 0.858 nan 8.290 nan 0.000 0.461 589 T N 1.492 116.114 114.554 0.114 0.000 2.887 589 T HA 0.886 5.162 4.350 -0.123 0.000 0.292 589 T C -1.062 173.745 174.700 0.177 0.000 1.087 589 T CA -1.013 61.177 62.100 0.149 0.000 1.009 589 T CB 1.680 70.609 68.868 0.102 0.000 1.203 589 T HN 0.757 nan 8.240 nan 0.000 0.518 590 R N -0.237 120.411 120.500 0.247 0.000 2.522 590 R HA 0.639 4.905 4.340 -0.123 0.000 0.283 590 R C -0.605 175.903 176.300 0.346 0.000 1.074 590 R CA -0.405 55.847 56.100 0.253 0.000 0.925 590 R CB 1.550 31.986 30.300 0.227 0.000 1.205 590 R HN 1.158 nan 8.270 nan 0.000 0.436 591 G N 5.523 114.511 108.800 0.313 0.000 3.565 591 G HA2 0.355 4.241 3.960 -0.123 0.000 0.346 591 G HA3 0.355 4.241 3.960 -0.123 0.000 0.346 591 G C -2.489 172.639 174.900 0.380 0.000 1.363 591 G CA -1.234 44.110 45.100 0.407 0.000 1.134 591 G HN 0.460 nan 8.290 nan 0.000 0.471 592 P HA 0.195 nan 4.420 nan 0.000 0.272 592 P C -0.290 177.103 177.300 0.154 0.000 1.240 592 P CA -0.226 63.014 63.100 0.233 0.000 0.791 592 P CB 2.336 34.171 31.700 0.225 0.000 0.978 593 V N 2.870 122.807 119.914 0.038 0.000 2.448 593 V HA 0.462 4.508 4.120 -0.123 0.000 0.295 593 V C -0.219 175.772 176.094 -0.170 0.000 1.025 593 V CA -0.716 61.449 62.300 -0.226 0.000 0.859 593 V CB 1.447 33.093 31.823 -0.295 0.000 0.988 593 V HN 0.467 nan 8.190 nan 0.000 0.431 594 V N 5.020 124.798 119.914 -0.226 0.000 3.046 594 V HA 0.796 4.842 4.120 -0.123 0.000 0.316 594 V C -0.591 175.394 176.094 -0.182 0.000 1.104 594 V CA -0.993 61.226 62.300 -0.135 0.000 1.006 594 V CB 2.226 34.008 31.823 -0.068 0.000 1.058 594 V HN 0.920 nan 8.190 nan 0.000 0.440 595 R N 2.195 122.624 120.500 -0.117 0.000 2.686 595 R HA 0.706 4.972 4.340 -0.123 0.000 0.283 595 R C -1.655 174.591 176.300 -0.090 0.000 0.978 595 R CA -0.841 55.192 56.100 -0.112 0.000 0.897 595 R CB 2.138 32.391 30.300 -0.079 0.000 1.192 595 R HN 0.563 nan 8.270 nan 0.000 0.457 596 L N 2.206 123.373 121.223 -0.094 0.000 2.304 596 L HA 0.442 4.708 4.340 -0.123 0.000 0.268 596 L C -1.614 175.223 176.870 -0.054 0.000 1.010 596 L CA -2.448 52.343 54.840 -0.081 0.000 0.813 596 L CB 1.595 43.588 42.059 -0.110 0.000 1.315 596 L HN 0.318 nan 8.230 nan 0.000 0.445 597 P HA -0.036 nan 4.420 nan 0.000 0.217 597 P C -0.128 177.158 177.300 -0.024 0.000 1.150 597 P CA 1.287 64.372 63.100 -0.024 0.000 0.832 597 P CB 0.347 32.038 31.700 -0.015 0.000 0.787 598 R N -2.567 117.916 120.500 -0.028 0.000 2.808 598 R HA 0.538 4.804 4.340 -0.123 0.000 0.272 598 R C 0.794 177.074 176.300 -0.034 0.000 0.995 598 R CA -0.584 55.502 56.100 -0.024 0.000 0.917 598 R CB 0.561 30.852 30.300 -0.014 0.000 1.217 598 R HN -0.170 nan 8.270 nan 0.000 0.471 599 A N 0.409 123.212 122.820 -0.028 0.000 1.972 599 A HA -0.135 4.111 4.320 -0.123 0.000 0.219 599 A C 1.761 179.326 177.584 -0.032 0.000 1.169 599 A CA 1.630 53.647 52.037 -0.033 0.000 0.635 599 A CB -0.632 18.355 19.000 -0.021 0.000 0.810 599 A HN 0.723 nan 8.150 nan 0.000 0.446 600 C N -0.256 119.031 119.300 -0.021 0.000 2.422 600 C HA -0.072 4.314 4.460 -0.123 0.000 0.279 600 C C 2.221 177.200 174.990 -0.020 0.000 1.305 600 C CA 0.942 59.952 59.018 -0.013 0.000 1.757 600 C CB -1.009 26.730 27.740 -0.002 0.000 1.962 600 C HN 0.599 nan 8.230 nan 0.000 0.499 601 D N 1.057 121.437 120.400 -0.033 0.000 2.120 601 D HA -0.072 4.494 4.640 -0.123 0.000 0.202 601 D C 2.318 178.542 176.300 -0.127 0.000 0.972 601 D CA 1.776 55.746 54.000 -0.051 0.000 0.837 601 D CB -0.636 40.139 40.800 -0.041 0.000 0.989 601 D HN 0.591 nan 8.370 nan 0.000 0.469 602 S N 1.343 116.969 115.700 -0.124 0.000 2.383 602 S HA -0.113 4.283 4.470 -0.123 0.000 0.229 602 S C 2.213 176.731 174.600 -0.137 0.000 1.030 602 S CA 1.221 59.326 58.200 -0.159 0.000 1.002 602 S CB -0.379 62.745 63.200 -0.128 0.000 0.829 602 S HN 0.246 nan 8.310 nan 0.000 0.467 603 A N 1.695 124.465 122.820 -0.084 0.000 1.933 603 A HA -0.090 4.156 4.320 -0.123 0.000 0.218 603 A C 2.200 179.758 177.584 -0.042 0.000 1.175 603 A CA 1.538 53.544 52.037 -0.051 0.000 0.628 603 A CB -0.779 18.207 19.000 -0.024 0.000 0.814 603 A HN 0.678 nan 8.150 nan 0.000 0.444 604 E N -0.196 119.975 120.200 -0.049 0.000 2.072 604 E HA -0.126 4.150 4.350 -0.123 0.000 0.191 604 E C 1.855 178.418 176.600 -0.061 0.000 0.985 604 E CA 1.388 57.790 56.400 0.003 0.000 0.801 604 E CB -0.087 29.644 29.700 0.051 0.000 0.750 604 E HN 0.341 nan 8.360 nan 0.000 0.452 605 V N 1.539 121.251 119.914 -0.337 0.000 2.407 605 V HA -0.248 3.798 4.120 -0.123 0.000 0.248 605 V C 2.488 178.518 176.094 -0.107 0.000 1.055 605 V CA 2.041 64.020 62.300 -0.534 0.000 1.049 605 V CB -0.525 30.846 31.823 -0.753 0.000 0.662 605 V HN 0.269 nan 8.190 nan 0.000 0.455 606 K N 0.493 120.843 120.400 -0.083 0.000 2.026 606 K HA -0.189 4.057 4.320 -0.123 0.000 0.208 606 K C 2.190 178.814 176.600 0.039 0.000 1.048 606 K CA 1.676 57.950 56.287 -0.023 0.000 0.929 606 K CB -0.335 32.138 32.500 -0.045 0.000 0.713 606 K HN 0.415 nan 8.250 nan 0.000 0.439 607 A N 0.367 123.222 122.820 0.058 0.000 1.930 607 A HA -0.182 4.064 4.320 -0.123 0.000 0.217 607 A C 1.922 179.589 177.584 0.139 0.000 1.175 607 A CA 1.351 53.435 52.037 0.080 0.000 0.627 607 A CB -1.022 18.027 19.000 0.081 0.000 0.815 607 A HN 0.725 nan 8.150 nan 0.000 0.443 608 W N 0.610 121.921 121.300 0.019 0.000 2.355 608 W HA -0.135 4.450 4.660 -0.124 0.000 0.309 608 W C 1.667 178.209 176.519 0.039 0.000 1.206 608 W CA 1.835 59.222 57.345 0.069 0.000 1.284 608 W CB -0.233 29.347 29.460 0.200 0.000 1.145 608 W HN 0.237 nan 8.180 nan 0.000 0.502 609 L N 0.434 121.860 121.223 0.338 0.000 2.265 609 L HA -0.170 4.096 4.340 -0.123 0.000 0.215 609 L C 1.887 178.774 176.870 0.028 0.000 1.117 609 L CA 1.364 56.316 54.840 0.187 0.000 0.782 609 L CB -0.621 41.557 42.059 0.197 0.000 0.914 609 L HN 0.071 nan 8.230 nan 0.000 0.441 610 E N -0.830 119.367 120.200 -0.005 0.000 2.442 610 E HA -0.024 4.252 4.350 -0.123 0.000 0.195 610 E C 0.864 177.410 176.600 -0.090 0.000 1.030 610 E CA 0.226 56.596 56.400 -0.050 0.000 0.869 610 E CB 0.241 29.922 29.700 -0.031 0.000 0.857 610 E HN 0.455 nan 8.360 nan 0.000 0.505 611 T N -1.384 113.089 114.554 -0.134 0.000 2.882 611 T HA 0.083 4.359 4.350 -0.123 0.000 0.287 611 T C 1.510 176.119 174.700 -0.152 0.000 1.014 611 T CA -0.143 61.865 62.100 -0.154 0.000 1.049 611 T CB 1.710 70.451 68.868 -0.212 0.000 1.001 611 T HN -0.003 nan 8.240 nan 0.000 0.525 612 S N 1.167 116.803 115.700 -0.107 0.000 2.382 612 S HA -0.174 4.222 4.470 -0.123 0.000 0.228 612 S C 1.725 176.285 174.600 -0.067 0.000 1.027 612 S CA 0.953 59.120 58.200 -0.055 0.000 0.991 612 S CB -0.543 62.633 63.200 -0.040 0.000 0.823 612 S HN 0.878 nan 8.310 nan 0.000 0.469 613 E N 1.993 122.101 120.200 -0.154 0.000 2.107 613 E HA 0.020 4.296 4.350 -0.123 0.000 0.191 613 E C 2.215 178.587 176.600 -0.380 0.000 0.982 613 E CA 1.143 57.428 56.400 -0.192 0.000 0.809 613 E CB -1.376 28.231 29.700 -0.155 0.000 0.756 613 E HN 0.584 nan 8.360 nan 0.000 0.459 614 G N 0.900 109.286 108.800 -0.689 0.000 2.418 614 G HA2 -0.270 3.616 3.960 -0.123 0.000 0.217 614 G HA3 -0.270 3.616 3.960 -0.123 0.000 0.217 614 G C 1.395 175.940 174.900 -0.592 0.000 1.158 614 G CA 0.723 45.019 45.100 -1.340 0.000 0.771 614 G HN 0.279 nan 8.290 nan 0.000 0.545 615 F N 2.471 122.192 119.950 -0.382 0.000 2.134 615 F HA 0.095 4.548 4.527 -0.124 0.000 0.299 615 F C 2.766 178.510 175.800 -0.093 0.000 1.097 615 F CA 1.147 59.044 58.000 -0.172 0.000 1.264 615 F CB -0.316 38.602 39.000 -0.136 0.000 1.001 615 F HN 0.227 nan 8.300 nan 0.000 0.479 616 A N 0.110 122.841 122.820 -0.148 0.000 1.883 616 A HA -0.192 4.054 4.320 -0.123 0.000 0.217 616 A C 2.386 179.885 177.584 -0.141 0.000 1.186 616 A CA 2.286 54.232 52.037 -0.152 0.000 0.624 616 A CB -1.685 17.291 19.000 -0.041 0.000 0.822 616 A HN 0.503 nan 8.150 nan 0.000 0.444 617 V N -0.621 119.235 119.914 -0.098 0.000 2.427 617 V HA -0.162 3.884 4.120 -0.123 0.000 0.248 617 V C 2.051 178.176 176.094 0.051 0.000 1.051 617 V CA 1.991 64.305 62.300 0.023 0.000 1.048 617 V CB -0.590 31.306 31.823 0.122 0.000 0.666 617 V HN 0.423 nan 8.190 nan 0.000 0.456 618 I N 0.827 121.397 120.570 0.002 0.000 2.202 618 I HA -0.156 3.940 4.170 -0.123 0.000 0.242 618 I C 2.564 178.682 176.117 0.002 0.000 1.091 618 I CA 2.311 63.660 61.300 0.082 0.000 1.368 618 I CB -1.400 36.678 38.000 0.131 0.000 1.058 618 I HN 0.468 nan 8.210 nan 0.000 0.410 619 K N 1.140 121.368 120.400 -0.287 0.000 2.063 619 K HA -0.240 4.006 4.320 -0.123 0.000 0.208 619 K C 2.094 178.681 176.600 -0.023 0.000 1.048 619 K CA 1.726 57.850 56.287 -0.272 0.000 0.928 619 K CB -0.085 32.065 32.500 -0.585 0.000 0.713 619 K HN 0.264 nan 8.250 nan 0.000 0.442 620 E N -0.233 119.951 120.200 -0.028 0.000 2.051 620 E HA -0.208 4.068 4.350 -0.123 0.000 0.192 620 E C 1.817 178.456 176.600 0.066 0.000 0.991 620 E CA 1.140 57.555 56.400 0.026 0.000 0.799 620 E CB -0.146 29.570 29.700 0.027 0.000 0.748 620 E HN 0.469 nan 8.360 nan 0.000 0.449 621 A N 0.471 123.345 122.820 0.091 0.000 1.902 621 A HA -0.174 4.072 4.320 -0.123 0.000 0.217 621 A C 2.001 179.638 177.584 0.088 0.000 1.181 621 A CA 1.228 53.321 52.037 0.094 0.000 0.623 621 A CB -0.879 18.196 19.000 0.125 0.000 0.818 621 A HN 0.478 nan 8.150 nan 0.000 0.443 622 F N 1.182 121.127 119.950 -0.008 0.000 2.075 622 F HA -0.198 4.254 4.527 -0.125 0.000 0.297 622 F C 1.629 177.424 175.800 -0.009 0.000 1.113 622 F CA 2.164 60.153 58.000 -0.018 0.000 1.218 622 F CB -0.074 38.935 39.000 0.015 0.000 0.984 622 F HN 0.237 nan 8.300 nan 0.000 0.472 623 D N -0.445 120.116 120.400 0.268 0.000 2.310 623 D HA -0.120 4.446 4.640 -0.123 0.000 0.212 623 D C 2.333 178.655 176.300 0.037 0.000 0.965 623 D CA 1.257 55.355 54.000 0.164 0.000 0.879 623 D CB -0.549 40.337 40.800 0.142 0.000 0.921 623 D HN 0.364 nan 8.370 nan 0.000 0.510 624 S N -0.416 115.289 115.700 0.008 0.000 2.603 624 S HA -0.083 4.313 4.470 -0.123 0.000 0.229 624 S C 1.780 176.350 174.600 -0.050 0.000 0.972 624 S CA 1.074 59.264 58.200 -0.017 0.000 0.935 624 S CB -0.539 62.657 63.200 -0.007 0.000 0.769 624 S HN 0.317 nan 8.310 nan 0.000 0.536 625 T N -2.156 112.344 114.554 -0.090 0.000 3.054 625 T HA 0.309 4.585 4.350 -0.123 0.000 0.259 625 T C 0.631 175.283 174.700 -0.080 0.000 1.092 625 T CA 0.390 62.422 62.100 -0.115 0.000 1.121 625 T CB -0.054 68.686 68.868 -0.215 0.000 0.912 625 T HN 0.383 nan 8.240 nan 0.000 0.489 626 S N -0.895 114.770 115.700 -0.057 0.000 2.567 626 S HA 0.467 4.863 4.470 -0.123 0.000 0.270 626 S C -0.053 174.512 174.600 -0.059 0.000 1.152 626 S CA -0.885 57.297 58.200 -0.029 0.000 0.835 626 S CB 1.437 64.656 63.200 0.031 0.000 1.115 626 S HN 0.171 nan 8.310 nan 0.000 0.459 627 R N 0.998 121.399 120.500 -0.166 0.000 2.148 627 R HA 0.144 4.410 4.340 -0.123 0.000 0.227 627 R C 0.984 177.038 176.300 -0.409 0.000 1.103 627 R CA 1.798 57.685 56.100 -0.355 0.000 0.983 627 R CB -0.270 29.674 30.300 -0.592 0.000 0.874 627 R HN 0.641 nan 8.270 nan 0.000 0.451 628 F N 0.085 120.054 119.950 0.032 0.000 2.754 628 F HA 0.304 4.759 4.527 -0.119 0.000 0.297 628 F C 0.996 176.845 175.800 0.082 0.000 1.122 628 F CA -0.455 57.574 58.000 0.048 0.000 1.400 628 F CB 0.205 39.228 39.000 0.037 0.000 1.117 628 F HN -0.106 nan 8.300 nan 0.000 0.587 629 A N 1.319 124.274 122.820 0.225 0.000 2.444 629 A HA 0.447 4.693 4.320 -0.123 0.000 0.287 629 A C -0.021 177.737 177.584 0.291 0.000 1.195 629 A CA -0.036 52.166 52.037 0.275 0.000 0.858 629 A CB -0.298 18.797 19.000 0.158 0.000 1.117 629 A HN 0.191 nan 8.150 nan 0.000 0.521 630 R N 2.252 122.918 120.500 0.277 0.000 2.415 630 R HA 0.321 4.587 4.340 -0.123 0.000 0.292 630 R C -0.928 175.446 176.300 0.124 0.000 1.295 630 R CA -0.674 55.538 56.100 0.186 0.000 1.137 630 R CB 0.651 31.032 30.300 0.136 0.000 1.135 630 R HN 0.694 nan 8.270 nan 0.000 0.560 631 L N 2.786 124.030 121.223 0.035 0.000 2.660 631 L HA -0.064 4.202 4.340 -0.123 0.000 0.272 631 L C 0.917 177.827 176.870 0.068 0.000 1.194 631 L CA 1.155 55.893 54.840 -0.171 0.000 0.945 631 L CB 0.546 42.371 42.059 -0.390 0.000 1.212 631 L HN 0.688 nan 8.230 nan 0.000 0.490 632 Q N 4.497 124.336 119.800 0.065 0.000 2.089 632 Q HA 0.060 4.326 4.340 -0.123 0.000 0.195 632 Q C -0.175 175.885 176.000 0.101 0.000 0.963 632 Q CA 1.227 57.086 55.803 0.094 0.000 0.834 632 Q CB 0.192 28.952 28.738 0.036 0.000 0.906 632 Q HN 0.749 nan 8.270 nan 0.000 0.452 633 K N -1.263 119.184 120.400 0.079 0.000 2.672 633 K HA 0.528 4.774 4.320 -0.123 0.000 0.295 633 K C -1.837 174.770 176.600 0.013 0.000 1.042 633 K CA -0.861 55.399 56.287 -0.046 0.000 0.869 633 K CB 0.940 33.371 32.500 -0.114 0.000 1.541 633 K HN -0.159 nan 8.250 nan 0.000 0.396 634 L N 1.498 122.686 121.223 -0.059 0.000 2.409 634 L HA 0.386 4.652 4.340 -0.123 0.000 0.272 634 L C -1.559 175.316 176.870 0.010 0.000 0.980 634 L CA -0.303 54.504 54.840 -0.055 0.000 0.826 634 L CB 1.457 43.492 42.059 -0.040 0.000 1.268 634 L HN 0.811 nan 8.230 nan 0.000 0.407 635 H N 1.792 120.827 119.070 -0.059 0.000 2.551 635 H HA 0.677 5.159 4.556 -0.123 0.000 0.321 635 H C -1.100 174.289 175.328 0.101 0.000 1.028 635 H CA -0.186 55.871 56.048 0.014 0.000 1.215 635 H CB 1.168 30.940 29.762 0.016 0.000 1.414 635 H HN 0.538 nan 8.280 nan 0.000 0.480 636 T N 4.008 118.419 114.554 -0.239 0.000 2.807 636 T HA 0.430 4.706 4.350 -0.123 0.000 0.279 636 T C -0.778 173.759 174.700 -0.272 0.000 0.993 636 T CA -0.629 61.354 62.100 -0.194 0.000 0.970 636 T CB 0.970 69.772 68.868 -0.110 0.000 0.950 636 T HN 0.554 nan 8.240 nan 0.000 0.441 637 S N 3.063 118.613 115.700 -0.251 0.000 2.538 637 S HA 0.715 5.111 4.470 -0.123 0.000 0.288 637 S C -0.789 173.750 174.600 -0.101 0.000 1.108 637 S CA -0.733 57.340 58.200 -0.211 0.000 0.971 637 S CB 0.573 63.595 63.200 -0.297 0.000 1.041 637 S HN 0.605 nan 8.310 nan 0.000 0.483 638 I N 3.204 123.743 120.570 -0.053 0.000 2.460 638 I HA 0.632 4.728 4.170 -0.123 0.000 0.298 638 I C -0.045 176.087 176.117 0.024 0.000 0.989 638 I CA -0.679 60.611 61.300 -0.018 0.000 1.173 638 I CB 1.811 39.789 38.000 -0.037 0.000 1.338 638 I HN 0.779 nan 8.210 nan 0.000 0.456 639 A N 4.999 127.854 122.820 0.058 0.000 2.815 639 A HA 0.648 4.894 4.320 -0.123 0.000 0.318 639 A C 0.320 177.924 177.584 0.033 0.000 1.186 639 A CA 0.144 52.222 52.037 0.069 0.000 0.754 639 A CB 0.402 19.498 19.000 0.159 0.000 1.151 639 A HN 1.077 nan 8.150 nan 0.000 0.452 640 G N 2.864 111.668 108.800 0.008 0.000 2.565 640 G HA2 -0.387 3.499 3.960 -0.123 0.000 0.295 640 G HA3 -0.387 3.499 3.960 -0.123 0.000 0.295 640 G C 1.155 176.039 174.900 -0.026 0.000 1.165 640 G CA 0.926 46.023 45.100 -0.006 0.000 0.977 640 G HN 1.604 nan 8.290 nan 0.000 0.546 641 R N 1.371 121.852 120.500 -0.033 0.000 2.310 641 R HA 0.169 4.435 4.340 -0.123 0.000 0.202 641 R C 0.286 176.532 176.300 -0.091 0.000 0.933 641 R CA 0.599 56.665 56.100 -0.056 0.000 1.054 641 R CB -0.228 30.044 30.300 -0.045 0.000 0.985 641 R HN 0.385 nan 8.270 nan 0.000 0.489 642 N N 1.284 119.926 118.700 -0.097 0.000 2.530 642 N HA 0.240 4.906 4.740 -0.123 0.000 0.277 642 N C -1.329 174.029 175.510 -0.254 0.000 1.168 642 N CA -0.424 52.504 53.050 -0.204 0.000 0.979 642 N CB 1.467 39.837 38.487 -0.195 0.000 1.141 642 N HN 0.098 nan 8.380 nan 0.000 0.459 643 L N 2.359 123.341 121.223 -0.402 0.000 2.439 643 L HA 0.427 4.693 4.340 -0.123 0.000 0.270 643 L C -1.832 174.739 176.870 -0.498 0.000 0.972 643 L CA -0.595 54.048 54.840 -0.329 0.000 0.836 643 L CB 0.790 42.719 42.059 -0.217 0.000 1.255 643 L HN 0.446 nan 8.230 nan 0.000 0.404 644 Y N 5.651 125.799 120.300 -0.253 0.000 2.328 644 Y HA 0.634 5.111 4.550 -0.123 0.000 0.337 644 Y C -0.112 175.660 175.900 -0.213 0.000 1.008 644 Y CA -0.435 57.477 58.100 -0.314 0.000 1.129 644 Y CB 1.423 39.407 38.460 -0.793 0.000 1.185 644 Y HN 0.382 nan 8.280 nan 0.000 0.476 645 I N 4.207 124.837 120.570 0.099 0.000 2.410 645 I HA 0.390 4.486 4.170 -0.123 0.000 0.286 645 I C -0.284 175.936 176.117 0.172 0.000 1.009 645 I CA -0.792 60.535 61.300 0.045 0.000 1.111 645 I CB 1.602 39.567 38.000 -0.059 0.000 1.262 645 I HN 0.464 nan 8.210 nan 0.000 0.443 646 R N 6.192 126.795 120.500 0.172 0.000 2.205 646 R HA 0.422 4.688 4.340 -0.123 0.000 0.342 646 R C -1.301 175.006 176.300 0.011 0.000 1.058 646 R CA -0.476 55.740 56.100 0.193 0.000 0.904 646 R CB 0.430 30.822 30.300 0.153 0.000 1.089 646 R HN 0.350 nan 8.270 nan 0.000 0.471 647 F N 2.536 122.570 119.950 0.139 0.000 2.410 647 F HA 0.214 4.666 4.527 -0.125 0.000 0.348 647 F C 0.609 176.424 175.800 0.024 0.000 1.106 647 F CA 0.056 58.089 58.000 0.054 0.000 1.163 647 F CB 1.428 40.491 39.000 0.106 0.000 1.129 647 F HN 0.379 nan 8.300 nan 0.000 0.516 648 Q N 2.719 122.575 119.800 0.094 0.000 2.321 648 Q HA 0.608 4.874 4.340 -0.123 0.000 0.270 648 Q C -1.176 174.838 176.000 0.022 0.000 1.032 648 Q CA -0.490 55.354 55.803 0.069 0.000 0.784 648 Q CB 1.931 30.691 28.738 0.037 0.000 1.264 648 Q HN 0.707 nan 8.270 nan 0.000 0.448 649 S N 2.846 118.595 115.700 0.082 0.000 2.550 649 S HA 0.566 4.962 4.470 -0.123 0.000 0.270 649 S C -1.171 173.509 174.600 0.133 0.000 1.145 649 S CA -0.825 57.438 58.200 0.105 0.000 0.852 649 S CB 1.256 64.573 63.200 0.197 0.000 1.119 649 S HN 0.667 nan 8.310 nan 0.000 0.465 650 R N 1.155 121.732 120.500 0.129 0.000 2.649 650 R HA 0.436 4.702 4.340 -0.123 0.000 0.270 650 R C 0.291 176.677 176.300 0.143 0.000 1.105 650 R CA 0.311 56.479 56.100 0.113 0.000 1.193 650 R CB 0.747 31.113 30.300 0.109 0.000 1.120 650 R HN 0.868 nan 8.270 nan 0.000 0.561 651 S N -1.624 114.130 115.700 0.090 0.000 2.924 651 S HA 0.229 4.625 4.470 -0.123 0.000 0.244 651 S C 0.677 175.217 174.600 -0.100 0.000 0.842 651 S CA -0.066 58.173 58.200 0.065 0.000 1.086 651 S CB 0.304 63.533 63.200 0.048 0.000 1.295 651 S HN 1.070 nan 8.310 nan 0.000 0.500 652 G N 2.957 111.681 108.800 -0.126 0.000 2.596 652 G HA2 -0.320 3.566 3.960 -0.123 0.000 0.295 652 G HA3 -0.320 3.566 3.960 -0.123 0.000 0.295 652 G C 0.077 174.824 174.900 -0.255 0.000 1.240 652 G CA 0.743 45.609 45.100 -0.390 0.000 0.985 652 G HN 0.471 nan 8.290 nan 0.000 0.555 653 D N 1.976 122.189 120.400 -0.312 0.000 2.339 653 D HA 0.408 4.974 4.640 -0.123 0.000 0.217 653 D C 1.280 177.487 176.300 -0.155 0.000 1.050 653 D CA 0.849 54.739 54.000 -0.184 0.000 0.856 653 D CB 0.151 40.855 40.800 -0.160 0.000 0.922 653 D HN 0.746 nan 8.370 nan 0.000 0.518 654 A N 1.034 123.752 122.820 -0.171 0.000 2.316 654 A HA 0.217 4.463 4.320 -0.123 0.000 0.284 654 A C 1.299 178.840 177.584 -0.072 0.000 1.115 654 A CA -0.427 51.542 52.037 -0.113 0.000 0.812 654 A CB 1.140 20.077 19.000 -0.105 0.000 1.064 654 A HN -0.005 nan 8.150 nan 0.000 0.489 655 M N 1.707 121.271 119.600 -0.059 0.000 2.202 655 M HA -0.063 4.343 4.480 -0.123 0.000 0.262 655 M C 1.361 177.658 176.300 -0.006 0.000 1.063 655 M CA 2.621 57.898 55.300 -0.038 0.000 1.097 655 M CB -0.862 31.710 32.600 -0.046 0.000 1.382 655 M HN 1.713 nan 8.290 nan 0.000 0.413 656 G N -0.393 108.405 108.800 -0.003 0.000 2.175 656 G HA2 -0.322 3.564 3.960 -0.123 0.000 0.244 656 G HA3 -0.322 3.564 3.960 -0.123 0.000 0.244 656 G C 0.686 175.613 174.900 0.046 0.000 0.982 656 G CA 0.794 45.911 45.100 0.028 0.000 0.641 656 G HN 0.455 nan 8.290 nan 0.000 0.527 657 M N 1.147 120.769 119.600 0.036 0.000 2.082 657 M HA -0.008 4.398 4.480 -0.123 0.000 0.258 657 M C 2.347 178.667 176.300 0.033 0.000 1.071 657 M CA 2.752 58.078 55.300 0.044 0.000 1.103 657 M CB -0.552 32.070 32.600 0.036 0.000 1.307 657 M HN 0.307 nan 8.290 nan 0.000 0.409 658 N N -0.387 118.323 118.700 0.017 0.000 2.104 658 N HA -0.208 4.458 4.740 -0.123 0.000 0.190 658 N C 1.789 177.292 175.510 -0.011 0.000 1.024 658 N CA 1.855 54.907 53.050 0.002 0.000 0.853 658 N CB -0.573 37.913 38.487 -0.001 0.000 1.008 658 N HN 0.501 nan 8.380 nan 0.000 0.424 659 M N 0.361 119.962 119.600 0.002 0.000 2.067 659 M HA -0.114 4.292 4.480 -0.123 0.000 0.260 659 M C 1.451 177.727 176.300 -0.039 0.000 1.069 659 M CA 1.399 56.695 55.300 -0.008 0.000 1.117 659 M CB 0.047 32.671 32.600 0.039 0.000 1.334 659 M HN -0.040 nan 8.290 nan 0.000 0.407 660 I N 0.012 120.609 120.570 0.045 0.000 2.361 660 I HA -0.205 3.891 4.170 -0.123 0.000 0.251 660 I C 2.386 178.509 176.117 0.010 0.000 1.133 660 I CA 1.192 62.568 61.300 0.127 0.000 1.413 660 I CB -1.697 36.441 38.000 0.230 0.000 1.073 660 I HN 0.316 nan 8.210 nan 0.000 0.424 661 S N 0.590 116.284 115.700 -0.010 0.000 2.368 661 S HA -0.192 4.204 4.470 -0.123 0.000 0.224 661 S C 2.026 176.553 174.600 -0.121 0.000 1.029 661 S CA 1.271 59.449 58.200 -0.037 0.000 0.988 661 S CB -0.138 63.058 63.200 -0.006 0.000 0.838 661 S HN 0.414 nan 8.310 nan 0.000 0.462 662 K N 1.028 121.343 120.400 -0.143 0.000 2.026 662 K HA -0.100 4.146 4.320 -0.123 0.000 0.208 662 K C 2.205 178.615 176.600 -0.316 0.000 1.048 662 K CA 1.417 57.597 56.287 -0.178 0.000 0.929 662 K CB -0.606 31.808 32.500 -0.143 0.000 0.713 662 K HN 0.363 nan 8.250 nan 0.000 0.439 663 G N -0.302 108.171 108.800 -0.545 0.000 2.422 663 G HA2 -0.212 3.674 3.960 -0.123 0.000 0.218 663 G HA3 -0.212 3.674 3.960 -0.123 0.000 0.218 663 G C 1.391 175.794 174.900 -0.829 0.000 1.146 663 G CA 1.311 45.740 45.100 -1.119 0.000 0.769 663 G HN 0.345 nan 8.290 nan 0.000 0.547 664 T N 0.749 115.009 114.554 -0.490 0.000 2.821 664 T HA -0.042 4.234 4.350 -0.123 0.000 0.267 664 T C 2.189 176.691 174.700 -0.329 0.000 1.046 664 T CA 1.451 63.253 62.100 -0.496 0.000 1.139 664 T CB -0.123 68.532 68.868 -0.355 0.000 0.871 664 T HN 0.466 nan 8.240 nan 0.000 0.454 665 E N 0.593 120.667 120.200 -0.209 0.000 2.077 665 E HA -0.102 4.174 4.350 -0.123 0.000 0.193 665 E C 2.348 178.892 176.600 -0.094 0.000 0.989 665 E CA 0.674 57.003 56.400 -0.118 0.000 0.800 665 E CB -0.004 29.641 29.700 -0.092 0.000 0.746 665 E HN 0.088 nan 8.360 nan 0.000 0.452 666 K N 0.786 121.109 120.400 -0.129 0.000 2.097 666 K HA -0.036 4.210 4.320 -0.123 0.000 0.205 666 K C 1.939 178.532 176.600 -0.011 0.000 1.050 666 K CA 1.114 57.356 56.287 -0.076 0.000 0.938 666 K CB -0.156 32.276 32.500 -0.112 0.000 0.718 666 K HN 0.093 nan 8.250 nan 0.000 0.442 667 A N 1.038 123.845 122.820 -0.021 0.000 1.930 667 A HA -0.068 4.178 4.320 -0.123 0.000 0.217 667 A C 2.308 179.986 177.584 0.158 0.000 1.175 667 A CA 0.987 53.090 52.037 0.111 0.000 0.627 667 A CB -0.452 18.649 19.000 0.169 0.000 0.815 667 A HN 0.265 nan 8.150 nan 0.000 0.443 668 L N -0.511 120.762 121.223 0.084 0.000 2.141 668 L HA -0.128 4.138 4.340 -0.123 0.000 0.209 668 L C 2.768 179.731 176.870 0.155 0.000 1.094 668 L CA 1.279 56.206 54.840 0.145 0.000 0.763 668 L CB -0.431 41.687 42.059 0.098 0.000 0.908 668 L HN 0.312 nan 8.230 nan 0.000 0.437 669 S N -0.098 115.660 115.700 0.096 0.000 2.368 669 S HA -0.188 4.208 4.470 -0.123 0.000 0.224 669 S C 1.939 176.632 174.600 0.154 0.000 1.029 669 S CA 1.364 59.616 58.200 0.085 0.000 0.988 669 S CB -0.117 63.093 63.200 0.018 0.000 0.838 669 S HN 0.230 nan 8.310 nan 0.000 0.462 670 K N 1.767 122.266 120.400 0.166 0.000 2.057 670 K HA -0.011 4.235 4.320 -0.123 0.000 0.207 670 K C 1.897 178.689 176.600 0.320 0.000 1.049 670 K CA 1.039 57.465 56.287 0.232 0.000 0.931 670 K CB -0.797 31.846 32.500 0.239 0.000 0.714 670 K HN 0.255 nan 8.250 nan 0.000 0.440 671 L N 0.716 122.110 121.223 0.285 0.000 2.083 671 L HA -0.147 4.119 4.340 -0.123 0.000 0.209 671 L C 2.302 179.318 176.870 0.243 0.000 1.083 671 L CA 1.960 56.949 54.840 0.248 0.000 0.752 671 L CB -0.850 41.349 42.059 0.233 0.000 0.899 671 L HN 0.477 nan 8.230 nan 0.000 0.433 672 H N -0.038 119.115 119.070 0.138 0.000 2.456 672 H HA -0.136 4.346 4.556 -0.124 0.000 0.296 672 H C 1.849 177.205 175.328 0.046 0.000 1.079 672 H CA 1.796 57.900 56.048 0.093 0.000 1.322 672 H CB 0.327 30.124 29.762 0.058 0.000 1.388 672 H HN 0.571 nan 8.280 nan 0.000 0.538 673 E N -0.695 119.618 120.200 0.188 0.000 2.150 673 E HA -0.158 4.118 4.350 -0.123 0.000 0.193 673 E C 1.617 178.098 176.600 -0.199 0.000 0.985 673 E CA 0.896 57.302 56.400 0.009 0.000 0.814 673 E CB -0.011 29.664 29.700 -0.041 0.000 0.752 673 E HN 0.536 nan 8.360 nan 0.000 0.466 674 Y N -1.123 119.027 120.300 -0.250 0.000 2.420 674 Y HA 0.048 4.524 4.550 -0.123 0.000 0.292 674 Y C 0.456 175.778 175.900 -0.963 0.000 1.119 674 Y CA 0.474 58.207 58.100 -0.611 0.000 1.229 674 Y CB 0.485 38.416 38.460 -0.882 0.000 1.026 674 Y HN -0.098 nan 8.280 nan 0.000 0.554 675 F N 0.838 120.675 119.950 -0.189 0.000 2.660 675 F HA 0.341 4.794 4.527 -0.123 0.000 0.352 675 F C -1.862 173.714 175.800 -0.373 0.000 1.257 675 F CA -2.507 55.343 58.000 -0.251 0.000 1.200 675 F CB 1.018 39.861 39.000 -0.261 0.000 1.473 675 F HN -0.170 nan 8.300 nan 0.000 0.561 676 P HA -0.193 nan 4.420 nan 0.000 0.221 676 P C 0.693 177.813 177.300 -0.299 0.000 1.145 676 P CA 1.509 64.398 63.100 -0.351 0.000 0.795 676 P CB 0.368 32.000 31.700 -0.113 0.000 0.775 677 E N -0.930 119.181 120.200 -0.149 0.000 2.502 677 E HA 0.045 4.321 4.350 -0.123 0.000 0.194 677 E C 1.108 177.656 176.600 -0.086 0.000 1.062 677 E CA -0.229 56.124 56.400 -0.078 0.000 0.867 677 E CB -0.194 29.489 29.700 -0.028 0.000 0.888 677 E HN 0.316 nan 8.360 nan 0.000 0.510 678 M N 2.142 121.646 119.600 -0.159 0.000 2.217 678 M HA -0.008 4.398 4.480 -0.123 0.000 0.352 678 M C -0.260 176.031 176.300 -0.014 0.000 1.376 678 M CA 0.255 55.492 55.300 -0.104 0.000 1.107 678 M CB 0.637 33.172 32.600 -0.108 0.000 1.723 678 M HN -0.153 nan 8.290 nan 0.000 0.461 679 Q N 5.826 125.632 119.800 0.009 0.000 2.290 679 Q HA 0.399 4.665 4.340 -0.123 0.000 0.259 679 Q C -1.422 174.601 176.000 0.038 0.000 0.941 679 Q CA -0.528 55.303 55.803 0.048 0.000 0.912 679 Q CB 1.031 29.779 28.738 0.017 0.000 1.244 679 Q HN 0.835 nan 8.270 nan 0.000 0.441 680 I N 6.241 126.852 120.570 0.070 0.000 2.294 680 I HA -0.038 4.058 4.170 -0.123 0.000 0.295 680 I C 1.118 177.250 176.117 0.024 0.000 1.098 680 I CA -0.141 61.188 61.300 0.048 0.000 1.277 680 I CB 0.583 38.621 38.000 0.064 0.000 1.434 680 I HN 0.763 nan 8.210 nan 0.000 0.498 681 L N 5.917 127.142 121.223 0.002 0.000 2.072 681 L HA 0.119 4.385 4.340 -0.123 0.000 0.205 681 L C 0.893 177.774 176.870 0.018 0.000 1.079 681 L CA 0.981 55.822 54.840 0.001 0.000 0.752 681 L CB 0.155 42.201 42.059 -0.021 0.000 0.906 681 L HN 0.742 nan 8.230 nan 0.000 0.436 682 A N -2.059 120.777 122.820 0.027 0.000 2.532 682 A HA 0.275 4.521 4.320 -0.123 0.000 0.296 682 A C 0.163 177.785 177.584 0.063 0.000 1.058 682 A CA -0.343 51.721 52.037 0.045 0.000 0.729 682 A CB 0.880 19.915 19.000 0.058 0.000 1.285 682 A HN -0.144 nan 8.150 nan 0.000 0.396 683 V N 1.565 121.514 119.914 0.058 0.000 2.688 683 V HA 0.015 4.061 4.120 -0.123 0.000 0.256 683 V C 0.930 177.087 176.094 0.106 0.000 1.084 683 V CA 2.740 65.081 62.300 0.067 0.000 1.103 683 V CB 0.091 31.936 31.823 0.037 0.000 0.688 683 V HN 1.301 nan 8.190 nan 0.000 0.480 684 S N -0.665 115.100 115.700 0.108 0.000 2.707 684 S HA 0.629 5.025 4.470 -0.123 0.000 0.312 684 S C 0.446 175.141 174.600 0.159 0.000 1.116 684 S CA -0.024 58.261 58.200 0.142 0.000 1.078 684 S CB 1.240 64.511 63.200 0.117 0.000 0.997 684 S HN 0.476 nan 8.310 nan 0.000 0.477 685 G N 3.020 111.955 108.800 0.225 0.000 3.523 685 G HA2 0.204 4.090 3.960 -0.123 0.000 0.270 685 G HA3 0.204 4.090 3.960 -0.123 0.000 0.270 685 G C 0.422 175.493 174.900 0.286 0.000 1.134 685 G CA -0.555 44.716 45.100 0.285 0.000 0.825 685 G HN 0.813 nan 8.290 nan 0.000 0.534 686 N N -1.539 117.290 118.700 0.215 0.000 2.800 686 N HA -0.232 4.434 4.740 -0.123 0.000 0.250 686 N C 0.331 175.967 175.510 0.210 0.000 1.078 686 N CA 0.797 53.947 53.050 0.168 0.000 0.804 686 N CB -1.560 36.995 38.487 0.114 0.000 1.135 686 N HN 0.526 nan 8.380 nan 0.000 0.565 687 Y N -0.223 120.139 120.300 0.103 0.000 2.457 687 Y HA 0.231 4.709 4.550 -0.120 0.000 0.263 687 Y C 1.735 177.702 175.900 0.112 0.000 1.164 687 Y CA -0.042 58.106 58.100 0.079 0.000 1.274 687 Y CB -0.043 38.496 38.460 0.132 0.000 1.097 687 Y HN 0.363 nan 8.280 nan 0.000 0.523 688 C N -0.868 118.521 119.300 0.147 0.000 2.442 688 C HA -0.064 4.322 4.460 -0.123 0.000 0.279 688 C C 1.185 176.176 174.990 0.002 0.000 1.237 688 C CA 1.060 60.130 59.018 0.086 0.000 1.722 688 C CB -1.260 26.552 27.740 0.119 0.000 2.056 688 C HN 0.337 nan 8.230 nan 0.000 0.469 689 T N 0.799 115.360 114.554 0.012 0.000 2.824 689 T HA 0.408 4.684 4.350 -0.123 0.000 0.280 689 T C -1.060 173.675 174.700 0.058 0.000 0.995 689 T CA 0.086 62.216 62.100 0.049 0.000 1.009 689 T CB 1.433 70.325 68.868 0.039 0.000 0.955 689 T HN 0.332 nan 8.240 nan 0.000 0.452 690 D N 1.942 122.384 120.400 0.070 0.000 2.280 690 D HA 0.328 4.894 4.640 -0.123 0.000 0.236 690 D C 0.078 176.413 176.300 0.058 0.000 1.082 690 D CA -0.463 53.577 54.000 0.066 0.000 0.834 690 D CB 0.472 41.315 40.800 0.072 0.000 1.100 690 D HN 0.494 nan 8.370 nan 0.000 0.486 691 K N 0.760 121.193 120.400 0.054 0.000 3.209 691 K HA -0.240 4.006 4.320 -0.123 0.000 0.289 691 K C -0.612 176.009 176.600 0.035 0.000 1.191 691 K CA 0.815 57.129 56.287 0.045 0.000 0.851 691 K CB -0.955 31.572 32.500 0.045 0.000 1.242 691 K HN 0.330 nan 8.250 nan 0.000 0.480 692 K N 0.103 120.524 120.400 0.035 0.000 2.469 692 K HA 0.352 4.598 4.320 -0.123 0.000 0.254 692 K C -2.699 173.915 176.600 0.023 0.000 0.939 692 K CA -2.043 54.259 56.287 0.026 0.000 0.812 692 K CB 1.552 34.071 32.500 0.031 0.000 1.301 692 K HN -0.223 nan 8.250 nan 0.000 0.433 693 P HA 0.217 nan 4.420 nan 0.000 0.268 693 P C -1.343 175.967 177.300 0.015 0.000 1.204 693 P CA -0.299 62.803 63.100 0.003 0.000 0.768 693 P CB 0.996 32.683 31.700 -0.021 0.000 0.842 694 A N 2.298 125.136 122.820 0.030 0.000 2.513 694 A HA 0.549 4.795 4.320 -0.123 0.000 0.296 694 A C 0.847 178.476 177.584 0.075 0.000 1.052 694 A CA -0.125 51.936 52.037 0.041 0.000 0.714 694 A CB 1.125 20.147 19.000 0.036 0.000 1.279 694 A HN 0.399 nan 8.150 nan 0.000 0.397 695 A N 1.824 124.691 122.820 0.078 0.000 2.019 695 A HA -0.054 4.192 4.320 -0.123 0.000 0.219 695 A C 1.746 179.415 177.584 0.142 0.000 1.164 695 A CA 1.798 53.918 52.037 0.140 0.000 0.644 695 A CB -0.548 18.521 19.000 0.115 0.000 0.805 695 A HN 1.209 nan 8.150 nan 0.000 0.449 696 I N -0.258 120.347 120.570 0.059 0.000 2.286 696 I HA -0.257 3.839 4.170 -0.123 0.000 0.248 696 I C 1.769 177.882 176.117 -0.006 0.000 1.115 696 I CA 1.479 62.772 61.300 -0.013 0.000 1.392 696 I CB -0.146 37.777 38.000 -0.127 0.000 1.065 696 I HN 0.282 nan 8.210 nan 0.000 0.418 697 N N 0.355 119.082 118.700 0.044 0.000 2.216 697 N HA -0.229 4.437 4.740 -0.123 0.000 0.183 697 N C 1.447 177.023 175.510 0.110 0.000 1.017 697 N CA 1.249 54.334 53.050 0.058 0.000 0.861 697 N CB -0.534 38.001 38.487 0.081 0.000 0.986 697 N HN 0.608 nan 8.380 nan 0.000 0.428 698 W N 1.474 122.762 121.300 -0.020 0.000 2.381 698 W HA -0.017 4.555 4.660 -0.146 0.000 0.301 698 W C 1.380 177.885 176.519 -0.023 0.000 1.205 698 W CA 0.786 58.127 57.345 -0.007 0.000 1.285 698 W CB -0.080 29.390 29.460 0.016 0.000 1.133 698 W HN -0.026 nan 8.180 nan 0.000 0.521 699 I N 0.293 120.834 120.570 -0.048 0.000 2.480 699 I HA -0.159 3.937 4.170 -0.123 0.000 0.251 699 I C 1.758 177.765 176.117 -0.183 0.000 1.124 699 I CA 1.223 62.425 61.300 -0.163 0.000 1.444 699 I CB -0.367 37.609 38.000 -0.040 0.000 1.098 699 I HN -0.121 nan 8.210 nan 0.000 0.428 700 E N 0.509 120.622 120.200 -0.144 0.000 2.489 700 E HA 0.258 4.534 4.350 -0.123 0.000 0.204 700 E C 0.643 177.168 176.600 -0.125 0.000 1.006 700 E CA 0.228 56.534 56.400 -0.157 0.000 0.936 700 E CB 0.728 30.315 29.700 -0.188 0.000 1.002 700 E HN 0.421 nan 8.360 nan 0.000 0.488 701 G N 2.027 110.763 108.800 -0.106 0.000 2.758 701 G HA2 -0.263 3.623 3.960 -0.123 0.000 0.686 701 G HA3 -0.263 3.623 3.960 -0.123 0.000 0.686 701 G C -0.624 174.255 174.900 -0.034 0.000 1.389 701 G CA -0.245 44.811 45.100 -0.073 0.000 0.845 701 G HN 0.181 nan 8.290 nan 0.000 0.572 702 R N 0.503 120.999 120.500 -0.006 0.000 2.522 702 R HA 0.580 4.846 4.340 -0.123 0.000 0.273 702 R C 0.945 177.261 176.300 0.027 0.000 1.133 702 R CA 0.809 56.919 56.100 0.016 0.000 0.969 702 R CB 0.943 31.262 30.300 0.031 0.000 1.235 702 R HN 2.817 nan 8.270 nan 0.000 0.433 703 G N 3.412 112.231 108.800 0.031 0.000 2.536 703 G HA2 -0.322 3.564 3.960 -0.123 0.000 0.280 703 G HA3 -0.322 3.564 3.960 -0.123 0.000 0.280 703 G C -1.005 173.906 174.900 0.017 0.000 1.152 703 G CA 0.173 45.291 45.100 0.031 0.000 0.970 703 G HN 0.510 nan 8.290 nan 0.000 0.549 704 K N 0.960 121.370 120.400 0.017 0.000 2.235 704 K HA 0.607 4.853 4.320 -0.123 0.000 0.266 704 K C -0.574 176.025 176.600 -0.002 0.000 0.980 704 K CA -0.166 56.124 56.287 0.004 0.000 0.849 704 K CB 1.671 34.172 32.500 0.002 0.000 1.098 704 K HN 0.398 nan 8.250 nan 0.000 0.445 705 S N 1.975 117.663 115.700 -0.020 0.000 2.457 705 S HA 0.445 4.841 4.470 -0.123 0.000 0.289 705 S C -0.404 174.176 174.600 -0.033 0.000 1.163 705 S CA -0.838 57.339 58.200 -0.038 0.000 1.078 705 S CB 0.972 64.131 63.200 -0.067 0.000 0.987 705 S HN 0.266 nan 8.310 nan 0.000 0.482 706 V N 3.008 122.905 119.914 -0.029 0.000 3.007 706 V HA 0.709 4.755 4.120 -0.123 0.000 0.311 706 V C -0.597 175.484 176.094 -0.022 0.000 1.120 706 V CA -0.783 61.503 62.300 -0.022 0.000 0.980 706 V CB 2.097 33.911 31.823 -0.015 0.000 1.033 706 V HN 0.601 nan 8.190 nan 0.000 0.429 707 V N 2.604 122.507 119.914 -0.017 0.000 2.841 707 V HA 0.804 4.850 4.120 -0.123 0.000 0.310 707 V C -1.041 175.050 176.094 -0.006 0.000 1.090 707 V CA -0.196 62.098 62.300 -0.010 0.000 0.930 707 V CB 1.864 33.682 31.823 -0.008 0.000 1.014 707 V HN 1.173 nan 8.190 nan 0.000 0.425 708 C N 5.532 124.827 119.300 -0.009 0.000 2.994 708 C HA 0.966 5.352 4.460 -0.123 0.000 0.304 708 C C -0.949 174.019 174.990 -0.037 0.000 1.273 708 C CA 0.036 59.044 59.018 -0.016 0.000 1.537 708 C CB 1.643 29.370 27.740 -0.023 0.000 2.001 708 C HN 1.127 nan 8.230 nan 0.000 0.471 709 E N 2.644 122.817 120.200 -0.046 0.000 2.430 709 E HA 0.809 5.085 4.350 -0.123 0.000 0.279 709 E C -1.333 175.205 176.600 -0.103 0.000 1.003 709 E CA -0.783 55.543 56.400 -0.124 0.000 0.801 709 E CB 1.782 31.455 29.700 -0.045 0.000 1.313 709 E HN 1.255 nan 8.360 nan 0.000 0.459 710 A N 0.623 123.329 122.820 -0.189 0.000 2.597 710 A HA 0.574 4.820 4.320 -0.123 0.000 0.292 710 A C -1.727 175.798 177.584 -0.098 0.000 1.057 710 A CA -0.679 51.304 52.037 -0.089 0.000 0.674 710 A CB 1.820 20.783 19.000 -0.062 0.000 1.278 710 A HN 0.379 nan 8.150 nan 0.000 0.416 711 V N 2.447 122.363 119.914 0.004 0.000 2.444 711 V HA 0.462 4.508 4.120 -0.123 0.000 0.294 711 V C -0.817 175.293 176.094 0.027 0.000 1.022 711 V CA -0.490 61.840 62.300 0.049 0.000 0.850 711 V CB 1.486 33.376 31.823 0.110 0.000 0.992 711 V HN 0.648 nan 8.190 nan 0.000 0.426 712 I N 6.179 126.762 120.570 0.022 0.000 2.330 712 I HA 0.413 4.509 4.170 -0.123 0.000 0.289 712 I C -2.471 173.661 176.117 0.026 0.000 1.001 712 I CA -2.908 58.403 61.300 0.018 0.000 1.193 712 I CB 1.261 39.266 38.000 0.008 0.000 1.345 712 I HN 0.326 nan 8.210 nan 0.000 0.461 713 P HA 0.052 nan 4.420 nan 0.000 0.265 713 P C 0.804 178.116 177.300 0.021 0.000 1.193 713 P CA 0.163 63.277 63.100 0.023 0.000 0.765 713 P CB 0.889 32.601 31.700 0.019 0.000 0.823 714 A N 4.779 127.611 122.820 0.021 0.000 1.927 714 A HA -0.294 3.952 4.320 -0.123 0.000 0.220 714 A C 2.084 179.677 177.584 0.015 0.000 1.185 714 A CA 2.062 54.110 52.037 0.018 0.000 0.639 714 A CB -1.140 17.871 19.000 0.017 0.000 0.820 714 A HN 0.603 nan 8.150 nan 0.000 0.451 715 K N -0.407 120.001 120.400 0.013 0.000 2.057 715 K HA -0.110 4.136 4.320 -0.123 0.000 0.207 715 K C 1.759 178.366 176.600 0.011 0.000 1.049 715 K CA 1.738 58.031 56.287 0.011 0.000 0.931 715 K CB -0.272 32.234 32.500 0.010 0.000 0.714 715 K HN 0.273 nan 8.250 nan 0.000 0.440 716 V N 0.844 120.766 119.914 0.012 0.000 2.427 716 V HA -0.192 3.854 4.120 -0.123 0.000 0.248 716 V C 2.320 178.420 176.094 0.011 0.000 1.051 716 V CA 1.350 63.657 62.300 0.011 0.000 1.048 716 V CB -0.083 31.747 31.823 0.012 0.000 0.666 716 V HN 0.156 nan 8.190 nan 0.000 0.456 717 V N -0.020 119.901 119.914 0.012 0.000 2.407 717 V HA -0.241 3.805 4.120 -0.123 0.000 0.248 717 V C 2.567 178.667 176.094 0.011 0.000 1.055 717 V CA 1.969 64.276 62.300 0.012 0.000 1.049 717 V CB -0.811 31.021 31.823 0.015 0.000 0.662 717 V HN 0.459 nan 8.190 nan 0.000 0.455 718 R N -0.030 120.476 120.500 0.011 0.000 2.062 718 R HA -0.120 4.146 4.340 -0.123 0.000 0.231 718 R C 2.365 178.670 176.300 0.008 0.000 1.136 718 R CA 1.770 57.875 56.100 0.009 0.000 0.948 718 R CB -0.215 30.090 30.300 0.009 0.000 0.845 718 R HN 0.593 nan 8.270 nan 0.000 0.430 719 E N -0.421 119.784 120.200 0.008 0.000 2.122 719 E HA -0.061 4.215 4.350 -0.123 0.000 0.190 719 E C 1.900 178.504 176.600 0.007 0.000 0.977 719 E CA 0.830 57.235 56.400 0.007 0.000 0.820 719 E CB 0.341 30.045 29.700 0.007 0.000 0.770 719 E HN 0.064 nan 8.360 nan 0.000 0.462 720 V N 0.866 120.785 119.914 0.008 0.000 2.500 720 V HA -0.075 3.971 4.120 -0.123 0.000 0.243 720 V C 1.924 178.022 176.094 0.008 0.000 1.039 720 V CA 1.028 63.333 62.300 0.008 0.000 1.053 720 V CB -0.070 31.758 31.823 0.009 0.000 0.695 720 V HN 0.215 nan 8.190 nan 0.000 0.463 721 L N -0.356 120.872 121.223 0.008 0.000 2.567 721 L HA 0.182 4.448 4.340 -0.123 0.000 0.225 721 L C 0.727 177.601 176.870 0.006 0.000 1.119 721 L CA 0.027 54.871 54.840 0.007 0.000 0.871 721 L CB -0.084 41.980 42.059 0.008 0.000 1.036 721 L HN 0.222 nan 8.230 nan 0.000 0.459 722 K N 0.704 121.108 120.400 0.007 0.000 3.071 722 K HA -0.187 4.059 4.320 -0.123 0.000 0.265 722 K C 0.133 176.737 176.600 0.008 0.000 1.060 722 K CA 1.008 57.299 56.287 0.007 0.000 0.767 722 K CB -2.306 30.197 32.500 0.005 0.000 1.241 722 K HN 0.475 nan 8.250 nan 0.000 0.486 723 T N -1.938 112.621 114.554 0.009 0.000 2.637 723 T HA 0.568 4.844 4.350 -0.123 0.000 0.303 723 T C -1.151 173.556 174.700 0.011 0.000 1.288 723 T CA 0.248 62.354 62.100 0.010 0.000 1.040 723 T CB 1.610 70.484 68.868 0.010 0.000 1.644 723 T HN 0.261 nan 8.240 nan 0.000 0.480 724 T N -1.140 113.421 114.554 0.012 0.000 2.930 724 T HA 0.498 4.774 4.350 -0.123 0.000 0.290 724 T C 1.108 175.818 174.700 0.016 0.000 1.052 724 T CA -0.163 61.945 62.100 0.013 0.000 1.017 724 T CB 1.082 69.957 68.868 0.012 0.000 1.137 724 T HN 0.465 nan 8.240 nan 0.000 0.511 725 T N 0.353 114.919 114.554 0.019 0.000 2.746 725 T HA -0.095 4.181 4.350 -0.123 0.000 0.267 725 T C 1.665 176.380 174.700 0.025 0.000 1.039 725 T CA 1.771 63.885 62.100 0.025 0.000 1.142 725 T CB -0.385 68.500 68.868 0.030 0.000 0.866 725 T HN 0.834 nan 8.240 nan 0.000 0.444 726 E N 0.725 120.938 120.200 0.021 0.000 2.077 726 E HA -0.139 4.137 4.350 -0.123 0.000 0.193 726 E C 2.382 178.992 176.600 0.017 0.000 0.989 726 E CA 1.072 57.483 56.400 0.019 0.000 0.800 726 E CB -0.190 29.519 29.700 0.015 0.000 0.746 726 E HN 0.476 nan 8.360 nan 0.000 0.452 727 A N 0.931 123.760 122.820 0.015 0.000 1.898 727 A HA -0.170 4.076 4.320 -0.123 0.000 0.216 727 A C 2.187 179.780 177.584 0.015 0.000 1.181 727 A CA 1.435 53.480 52.037 0.013 0.000 0.620 727 A CB -0.380 18.626 19.000 0.011 0.000 0.819 727 A HN 0.272 nan 8.150 nan 0.000 0.442 728 M N -0.369 119.241 119.600 0.017 0.000 2.086 728 M HA -0.102 4.304 4.480 -0.123 0.000 0.261 728 M C 2.208 178.522 176.300 0.024 0.000 1.067 728 M CA 1.459 56.770 55.300 0.018 0.000 1.116 728 M CB -1.149 31.463 32.600 0.019 0.000 1.348 728 M HN 0.434 nan 8.290 nan 0.000 0.407 729 I N -0.126 120.461 120.570 0.028 0.000 2.226 729 I HA -0.274 3.822 4.170 -0.123 0.000 0.245 729 I C 2.354 178.489 176.117 0.030 0.000 1.100 729 I CA 1.116 62.437 61.300 0.035 0.000 1.374 729 I CB -0.473 37.550 38.000 0.038 0.000 1.057 729 I HN 0.303 nan 8.210 nan 0.000 0.413 730 E N 0.406 120.620 120.200 0.023 0.000 2.150 730 E HA -0.128 4.148 4.350 -0.123 0.000 0.193 730 E C 2.416 179.028 176.600 0.019 0.000 0.985 730 E CA 1.014 57.426 56.400 0.019 0.000 0.814 730 E CB -0.135 29.574 29.700 0.014 0.000 0.752 730 E HN 0.351 nan 8.360 nan 0.000 0.466 731 V N 1.728 121.652 119.914 0.017 0.000 2.379 731 V HA -0.205 3.841 4.120 -0.123 0.000 0.245 731 V C 2.204 178.311 176.094 0.021 0.000 1.044 731 V CA 1.672 63.981 62.300 0.015 0.000 1.036 731 V CB -0.563 31.267 31.823 0.011 0.000 0.664 731 V HN 0.205 nan 8.190 nan 0.000 0.453 732 N N 0.414 119.131 118.700 0.028 0.000 2.084 732 N HA -0.135 4.531 4.740 -0.123 0.000 0.190 732 N C 1.664 177.204 175.510 0.049 0.000 1.030 732 N CA 1.727 54.801 53.050 0.040 0.000 0.849 732 N CB -0.215 38.299 38.487 0.045 0.000 1.012 732 N HN 0.446 nan 8.380 nan 0.000 0.423 733 I N 0.266 120.863 120.570 0.045 0.000 2.179 733 I HA -0.222 3.874 4.170 -0.123 0.000 0.242 733 I C 1.430 177.574 176.117 0.045 0.000 1.088 733 I CA 0.960 62.289 61.300 0.048 0.000 1.357 733 I CB -0.278 37.745 38.000 0.039 0.000 1.051 733 I HN 0.280 nan 8.210 nan 0.000 0.409 734 N N 0.372 119.091 118.700 0.032 0.000 2.446 734 N HA -0.108 4.558 4.740 -0.123 0.000 0.179 734 N C 1.649 177.171 175.510 0.021 0.000 1.054 734 N CA 0.636 53.701 53.050 0.025 0.000 0.905 734 N CB 0.334 38.831 38.487 0.016 0.000 0.973 734 N HN 0.459 nan 8.380 nan 0.000 0.448 735 K N 0.972 121.384 120.400 0.021 0.000 2.214 735 K HA 0.106 4.352 4.320 -0.123 0.000 0.210 735 K C 1.100 177.708 176.600 0.014 0.000 1.036 735 K CA 0.243 56.535 56.287 0.009 0.000 0.958 735 K CB 0.202 32.705 32.500 0.004 0.000 0.973 735 K HN -0.131 nan 8.250 nan 0.000 0.466 736 N N 1.046 119.769 118.700 0.038 0.000 2.396 736 N HA -0.038 4.628 4.740 -0.123 0.000 0.180 736 N C 1.690 177.297 175.510 0.163 0.000 1.028 736 N CA 0.837 53.927 53.050 0.067 0.000 0.893 736 N CB 0.133 38.671 38.487 0.085 0.000 0.967 736 N HN 0.253 nan 8.380 nan 0.000 0.440 737 L N -0.869 120.448 121.223 0.156 0.000 2.546 737 L HA 0.144 4.409 4.340 -0.123 0.000 0.182 737 L C 2.033 179.007 176.870 0.173 0.000 1.167 737 L CA 0.245 55.219 54.840 0.224 0.000 0.845 737 L CB -0.645 41.491 42.059 0.128 0.000 1.134 737 L HN -0.171 nan 8.230 nan 0.000 0.500 738 V N 0.755 120.724 119.914 0.093 0.000 2.295 738 V HA -0.166 3.880 4.120 -0.123 0.000 0.246 738 V C 2.607 178.724 176.094 0.038 0.000 1.049 738 V CA 2.121 64.459 62.300 0.062 0.000 1.024 738 V CB -1.414 30.432 31.823 0.038 0.000 0.648 738 V HN 0.595 nan 8.190 nan 0.000 0.447 739 G N -0.477 108.334 108.800 0.018 0.000 2.421 739 G HA2 -0.244 3.642 3.960 -0.123 0.000 0.216 739 G HA3 -0.244 3.642 3.960 -0.123 0.000 0.216 739 G C 1.854 176.725 174.900 -0.049 0.000 1.171 739 G CA 1.187 46.278 45.100 -0.014 0.000 0.775 739 G HN 0.497 nan 8.290 nan 0.000 0.543 740 S N 0.956 116.605 115.700 -0.085 0.000 2.383 740 S HA -0.026 4.370 4.470 -0.123 0.000 0.229 740 S C 2.740 177.243 174.600 -0.161 0.000 1.030 740 S CA 1.217 59.276 58.200 -0.235 0.000 1.002 740 S CB -0.321 62.563 63.200 -0.527 0.000 0.829 740 S HN 0.602 nan 8.310 nan 0.000 0.467 741 A N 1.596 124.426 122.820 0.017 0.000 1.898 741 A HA -0.047 4.199 4.320 -0.123 0.000 0.216 741 A C 2.040 179.634 177.584 0.016 0.000 1.181 741 A CA 1.327 53.413 52.037 0.081 0.000 0.620 741 A CB -0.472 18.605 19.000 0.129 0.000 0.819 741 A HN 0.364 nan 8.150 nan 0.000 0.442 742 M N -0.235 119.365 119.600 0.001 0.000 2.296 742 M HA -0.008 4.398 4.480 -0.123 0.000 0.265 742 M C 2.200 178.484 176.300 -0.028 0.000 1.064 742 M CA 1.172 56.467 55.300 -0.009 0.000 1.109 742 M CB -1.522 31.073 32.600 -0.009 0.000 1.396 742 M HN 0.464 nan 8.290 nan 0.000 0.430 743 A N -0.581 122.207 122.820 -0.052 0.000 2.208 743 A HA 0.404 4.650 4.320 -0.123 0.000 0.209 743 A C 1.535 179.076 177.584 -0.073 0.000 1.161 743 A CA 0.802 52.798 52.037 -0.068 0.000 0.782 743 A CB -0.838 18.105 19.000 -0.094 0.000 0.816 743 A HN 0.634 nan 8.150 nan 0.000 0.477 744 G N -0.217 108.545 108.800 -0.063 0.000 2.256 744 G HA2 -0.179 3.707 3.960 -0.123 0.000 0.272 744 G HA3 -0.179 3.707 3.960 -0.123 0.000 0.272 744 G C 0.185 175.027 174.900 -0.097 0.000 1.076 744 G CA 0.539 45.605 45.100 -0.055 0.000 0.882 744 G HN 0.943 nan 8.290 nan 0.000 0.497 745 S N -0.564 115.037 115.700 -0.165 0.000 2.562 745 S HA 0.714 5.110 4.470 -0.123 0.000 0.275 745 S C 0.477 174.933 174.600 -0.241 0.000 1.281 745 S CA -0.734 57.300 58.200 -0.277 0.000 1.045 745 S CB 0.357 63.239 63.200 -0.530 0.000 0.962 745 S HN 0.378 nan 8.310 nan 0.000 0.503 746 I N 4.156 124.570 120.570 -0.260 0.000 2.420 746 I HA 0.377 4.473 4.170 -0.123 0.000 0.282 746 I C 1.226 177.016 176.117 -0.545 0.000 1.019 746 I CA 0.130 61.260 61.300 -0.283 0.000 1.130 746 I CB 0.276 38.177 38.000 -0.165 0.000 1.262 746 I HN 1.010 nan 8.210 nan 0.000 0.454 747 G N 4.855 113.058 108.800 -0.994 0.000 2.179 747 G HA2 -0.214 3.672 3.960 -0.123 0.000 0.260 747 G HA3 -0.214 3.672 3.960 -0.123 0.000 0.260 747 G C 0.791 175.260 174.900 -0.718 0.000 0.977 747 G CA 0.069 44.280 45.100 -1.481 0.000 0.641 747 G HN 0.925 nan 8.290 nan 0.000 0.533 748 G N -0.224 108.188 108.800 -0.648 0.000 4.294 748 G HA2 0.485 4.371 3.960 -0.123 0.000 0.301 748 G HA3 0.485 4.371 3.960 -0.123 0.000 0.301 748 G C 0.057 174.616 174.900 -0.570 0.000 1.321 748 G CA -0.498 44.318 45.100 -0.475 0.000 1.190 748 G HN 0.373 nan 8.290 nan 0.000 0.600 749 Y N 1.668 121.866 120.300 -0.169 0.000 2.903 749 Y HA 0.238 4.710 4.550 -0.129 0.000 0.387 749 Y C 0.757 176.656 175.900 -0.002 0.000 1.189 749 Y CA -0.819 57.245 58.100 -0.061 0.000 1.856 749 Y CB -0.438 38.014 38.460 -0.014 0.000 1.917 749 Y HN 0.600 nan 8.280 nan 0.000 0.448 750 N N -1.995 116.713 118.700 0.013 0.000 2.934 750 N HA 0.659 5.325 4.740 -0.123 0.000 0.253 750 N C 0.069 175.593 175.510 0.023 0.000 1.466 750 N CA -0.523 52.555 53.050 0.047 0.000 0.858 750 N CB 0.773 39.292 38.487 0.054 0.000 1.459 750 N HN -0.061 nan 8.380 nan 0.000 0.532 751 A N -0.498 122.363 122.820 0.068 0.000 1.871 751 A HA 0.112 4.358 4.320 -0.123 0.000 0.211 751 A C 0.748 178.421 177.584 0.148 0.000 1.207 751 A CA 1.532 53.612 52.037 0.071 0.000 0.620 751 A CB -0.902 18.129 19.000 0.052 0.000 0.860 751 A HN 0.984 nan 8.150 nan 0.000 0.450 752 H N -4.886 114.166 119.070 -0.031 0.000 3.407 752 H HA 0.633 5.149 4.556 -0.068 0.000 0.222 752 H C 0.727 176.033 175.328 -0.038 0.000 1.357 752 H CA 0.097 56.123 56.048 -0.037 0.000 1.145 752 H CB -0.205 29.537 29.762 -0.032 0.000 2.622 752 H HN 0.226 nan 8.280 nan 0.000 0.556 753 A N 1.257 124.023 122.820 -0.090 0.000 1.948 753 A HA -0.126 4.120 4.320 -0.123 0.000 0.220 753 A C 2.568 180.048 177.584 -0.173 0.000 1.177 753 A CA 1.953 53.902 52.037 -0.147 0.000 0.636 753 A CB -0.882 18.081 19.000 -0.062 0.000 0.815 753 A HN 0.764 nan 8.150 nan 0.000 0.449 754 A N 0.080 122.823 122.820 -0.128 0.000 1.978 754 A HA -0.226 4.019 4.320 -0.123 0.000 0.220 754 A C 1.948 179.446 177.584 -0.144 0.000 1.170 754 A CA 1.869 53.827 52.037 -0.133 0.000 0.636 754 A CB -0.621 18.326 19.000 -0.087 0.000 0.810 754 A HN 0.556 nan 8.150 nan 0.000 0.448 755 N N -0.116 118.497 118.700 -0.145 0.000 2.084 755 N HA -0.124 4.542 4.740 -0.123 0.000 0.190 755 N C 1.488 176.906 175.510 -0.154 0.000 1.030 755 N CA 1.641 54.618 53.050 -0.121 0.000 0.849 755 N CB -0.416 38.023 38.487 -0.081 0.000 1.012 755 N HN 0.447 nan 8.380 nan 0.000 0.423 756 I N 0.282 120.712 120.570 -0.233 0.000 2.233 756 I HA -0.148 3.948 4.170 -0.123 0.000 0.243 756 I C 2.234 178.266 176.117 -0.141 0.000 1.093 756 I CA 0.529 61.726 61.300 -0.171 0.000 1.380 756 I CB -0.565 37.322 38.000 -0.188 0.000 1.067 756 I HN -0.127 nan 8.210 nan 0.000 0.413 757 V N 0.238 120.030 119.914 -0.204 0.000 2.287 757 V HA -0.330 3.716 4.120 -0.123 0.000 0.248 757 V C 2.470 178.343 176.094 -0.369 0.000 1.053 757 V CA 2.527 64.626 62.300 -0.336 0.000 1.027 757 V CB -1.209 30.336 31.823 -0.463 0.000 0.646 757 V HN 0.472 nan 8.190 nan 0.000 0.447 758 T N 0.301 114.708 114.554 -0.245 0.000 2.708 758 T HA -0.151 4.125 4.350 -0.123 0.000 0.266 758 T C 2.071 176.763 174.700 -0.012 0.000 1.037 758 T CA 1.637 63.660 62.100 -0.127 0.000 1.146 758 T CB -0.454 68.362 68.868 -0.086 0.000 0.865 758 T HN 0.579 nan 8.240 nan 0.000 0.435 759 A N 1.091 123.899 122.820 -0.020 0.000 1.902 759 A HA -0.012 4.234 4.320 -0.123 0.000 0.217 759 A C 2.295 179.909 177.584 0.050 0.000 1.181 759 A CA 1.240 53.285 52.037 0.013 0.000 0.623 759 A CB -0.750 18.247 19.000 -0.005 0.000 0.818 759 A HN 0.529 nan 8.150 nan 0.000 0.443 760 I N -2.036 118.574 120.570 0.068 0.000 2.353 760 I HA -0.213 3.883 4.170 -0.123 0.000 0.248 760 I C 2.330 178.564 176.117 0.195 0.000 1.119 760 I CA 1.039 62.406 61.300 0.112 0.000 1.417 760 I CB -0.412 37.658 38.000 0.116 0.000 1.078 760 I HN 0.313 nan 8.210 nan 0.000 0.421 761 Y N 0.967 121.255 120.300 -0.021 0.000 2.165 761 Y HA -0.204 4.312 4.550 -0.058 0.000 0.286 761 Y C 2.454 178.349 175.900 -0.008 0.000 1.155 761 Y CA 1.136 59.227 58.100 -0.015 0.000 1.164 761 Y CB -0.701 37.752 38.460 -0.012 0.000 0.978 761 Y HN 0.099 nan 8.280 nan 0.000 0.513 762 I N -0.843 119.823 120.570 0.160 0.000 2.252 762 I HA -0.278 3.818 4.170 -0.123 0.000 0.245 762 I C 2.481 178.629 176.117 0.052 0.000 1.102 762 I CA 1.175 62.526 61.300 0.086 0.000 1.385 762 I CB -0.533 37.508 38.000 0.068 0.000 1.064 762 I HN 0.120 nan 8.210 nan 0.000 0.414 763 A N -0.553 122.298 122.820 0.051 0.000 1.968 763 A HA -0.155 4.091 4.320 -0.123 0.000 0.217 763 A C 1.999 179.592 177.584 0.014 0.000 1.169 763 A CA 1.152 53.208 52.037 0.030 0.000 0.638 763 A CB -0.752 18.266 19.000 0.030 0.000 0.812 763 A HN 0.564 nan 8.150 nan 0.000 0.446 764 C N -0.599 118.704 119.300 0.005 0.000 2.688 764 C HA 0.505 4.891 4.460 -0.123 0.000 0.297 764 C C 1.727 176.684 174.990 -0.055 0.000 1.308 764 C CA -0.214 58.787 59.018 -0.029 0.000 1.726 764 C CB -1.227 26.485 27.740 -0.047 0.000 1.982 764 C HN 1.006 nan 8.230 nan 0.000 0.604 765 G N 1.460 110.239 108.800 -0.035 0.000 2.198 765 G HA2 -0.193 3.693 3.960 -0.123 0.000 0.260 765 G HA3 -0.193 3.693 3.960 -0.123 0.000 0.260 765 G C 0.022 174.872 174.900 -0.082 0.000 1.025 765 G CA 0.132 45.207 45.100 -0.042 0.000 0.769 765 G HN 0.535 nan 8.290 nan 0.000 0.507 766 Q N -0.073 119.646 119.800 -0.135 0.000 2.237 766 Q HA 0.373 4.639 4.340 -0.123 0.000 0.219 766 Q C -0.060 175.886 176.000 -0.090 0.000 0.999 766 Q CA -0.616 55.038 55.803 -0.248 0.000 0.959 766 Q CB 0.606 28.910 28.738 -0.723 0.000 1.173 766 Q HN 0.319 nan 8.270 nan 0.000 0.527 767 D N 0.102 120.464 120.400 -0.062 0.000 2.393 767 D HA 0.237 4.803 4.640 -0.123 0.000 0.232 767 D C 0.367 176.772 176.300 0.175 0.000 1.192 767 D CA -0.102 53.927 54.000 0.048 0.000 0.882 767 D CB 0.863 41.688 40.800 0.041 0.000 1.038 767 D HN 0.523 nan 8.370 nan 0.000 0.499 768 A N 3.822 126.743 122.820 0.168 0.000 2.070 768 A HA -0.068 4.178 4.320 -0.123 0.000 0.220 768 A C 2.048 179.703 177.584 0.119 0.000 1.159 768 A CA 1.563 53.715 52.037 0.192 0.000 0.656 768 A CB -0.235 18.834 19.000 0.116 0.000 0.800 768 A HN 0.615 nan 8.150 nan 0.000 0.453 769 A N -0.856 122.020 122.820 0.093 0.000 2.067 769 A HA -0.134 4.112 4.320 -0.123 0.000 0.219 769 A C 1.903 179.528 177.584 0.070 0.000 1.158 769 A CA 1.274 53.349 52.037 0.062 0.000 0.661 769 A CB -0.397 18.634 19.000 0.051 0.000 0.801 769 A HN 0.641 nan 8.150 nan 0.000 0.452 770 Q N -0.506 119.366 119.800 0.120 0.000 2.482 770 Q HA -0.094 4.172 4.340 -0.123 0.000 0.209 770 Q C 1.463 177.515 176.000 0.085 0.000 0.961 770 Q CA 0.486 56.369 55.803 0.133 0.000 0.945 770 Q CB -0.187 28.667 28.738 0.194 0.000 1.012 770 Q HN 0.730 nan 8.270 nan 0.000 0.515 771 N N -0.022 118.681 118.700 0.005 0.000 2.364 771 N HA -0.135 4.531 4.740 -0.123 0.000 0.183 771 N C 1.338 176.801 175.510 -0.078 0.000 1.022 771 N CA 0.781 53.746 53.050 -0.142 0.000 0.883 771 N CB 0.030 38.434 38.487 -0.140 0.000 0.965 771 N HN 0.010 nan 8.380 nan 0.000 0.438 772 V N -0.261 119.639 119.914 -0.024 0.000 2.231 772 V HA -0.176 3.870 4.120 -0.123 0.000 0.248 772 V C 2.242 178.332 176.094 -0.006 0.000 1.054 772 V CA 2.220 64.511 62.300 -0.015 0.000 1.015 772 V CB -1.132 30.693 31.823 0.003 0.000 0.638 772 V HN 0.569 nan 8.190 nan 0.000 0.444 773 G N -1.968 106.844 108.800 0.021 0.000 2.595 773 G HA2 -0.091 3.795 3.960 -0.123 0.000 0.213 773 G HA3 -0.091 3.795 3.960 -0.123 0.000 0.213 773 G C 1.732 176.663 174.900 0.051 0.000 1.141 773 G CA 0.733 45.860 45.100 0.045 0.000 0.806 773 G HN 0.468 nan 8.290 nan 0.000 0.530 774 S N 1.154 116.871 115.700 0.029 0.000 2.419 774 S HA -0.082 4.314 4.470 -0.123 0.000 0.233 774 S C 2.444 177.027 174.600 -0.029 0.000 1.016 774 S CA 1.224 59.435 58.200 0.019 0.000 0.974 774 S CB -0.092 63.109 63.200 0.002 0.000 0.786 774 S HN 0.313 nan 8.310 nan 0.000 0.492 775 S N 1.693 117.356 115.700 -0.062 0.000 2.607 775 S HA 0.119 4.515 4.470 -0.123 0.000 0.224 775 S C 0.444 175.050 174.600 0.010 0.000 0.969 775 S CA -0.155 58.007 58.200 -0.063 0.000 0.927 775 S CB -0.233 62.911 63.200 -0.094 0.000 0.772 775 S HN 0.437 nan 8.310 nan 0.000 0.533 776 N N 1.720 120.466 118.700 0.076 0.000 2.357 776 N HA 0.117 4.783 4.740 -0.123 0.000 0.257 776 N C -0.461 175.221 175.510 0.287 0.000 1.250 776 N CA 0.389 53.552 53.050 0.188 0.000 0.862 776 N CB 0.475 39.194 38.487 0.387 0.000 1.066 776 N HN 0.287 nan 8.380 nan 0.000 0.468 777 C N 3.455 122.951 119.300 0.326 0.000 3.199 777 C HA 0.497 4.883 4.460 -0.123 0.000 0.392 777 C C -1.050 174.160 174.990 0.367 0.000 1.050 777 C CA -0.996 58.218 59.018 0.325 0.000 1.222 777 C CB 0.268 28.091 27.740 0.139 0.000 1.595 777 C HN 0.765 nan 8.230 nan 0.000 0.560 778 I N 5.262 126.078 120.570 0.410 0.000 2.382 778 I HA 0.502 4.598 4.170 -0.123 0.000 0.286 778 I C -0.054 176.179 176.117 0.195 0.000 1.002 778 I CA 0.343 61.859 61.300 0.360 0.000 1.135 778 I CB 1.614 39.860 38.000 0.410 0.000 1.288 778 I HN 0.786 nan 8.210 nan 0.000 0.448 779 T N 8.307 122.956 114.554 0.159 0.000 2.744 779 T HA 0.523 4.799 4.350 -0.123 0.000 0.291 779 T C -0.267 174.487 174.700 0.091 0.000 0.957 779 T CA -0.288 61.870 62.100 0.097 0.000 1.002 779 T CB 0.670 69.585 68.868 0.079 0.000 0.919 779 T HN 0.365 nan 8.240 nan 0.000 0.468 780 L N 3.801 125.066 121.223 0.069 0.000 2.362 780 L HA 0.677 4.943 4.340 -0.123 0.000 0.271 780 L C -0.366 176.546 176.870 0.071 0.000 1.002 780 L CA -0.833 54.058 54.840 0.084 0.000 0.818 780 L CB 1.987 44.113 42.059 0.113 0.000 1.298 780 L HN 0.442 nan 8.230 nan 0.000 0.420 781 M N 3.083 122.738 119.600 0.091 0.000 2.393 781 M HA 0.459 4.865 4.480 -0.123 0.000 0.299 781 M C -1.109 175.273 176.300 0.137 0.000 1.103 781 M CA -0.400 54.957 55.300 0.095 0.000 0.910 781 M CB 2.868 35.500 32.600 0.054 0.000 1.659 781 M HN 0.646 nan 8.290 nan 0.000 0.445 782 E N 1.658 121.974 120.200 0.194 0.000 2.412 782 E HA 0.767 5.043 4.350 -0.123 0.000 0.279 782 E C -1.515 175.164 176.600 0.131 0.000 0.984 782 E CA -1.254 55.232 56.400 0.145 0.000 0.788 782 E CB 1.568 31.338 29.700 0.117 0.000 1.277 782 E HN 0.678 nan 8.360 nan 0.000 0.455 783 A N 1.338 124.202 122.820 0.073 0.000 2.488 783 A HA 0.466 4.712 4.320 -0.123 0.000 0.249 783 A C -0.047 177.566 177.584 0.048 0.000 1.083 783 A CA 0.269 52.340 52.037 0.056 0.000 0.768 783 A CB 0.635 19.654 19.000 0.032 0.000 1.017 783 A HN 0.479 nan 8.150 nan 0.000 0.496 784 S N 0.655 116.390 115.700 0.057 0.000 2.697 784 S HA 0.854 5.250 4.470 -0.123 0.000 0.289 784 S C 0.005 174.625 174.600 0.033 0.000 1.149 784 S CA 0.666 58.892 58.200 0.043 0.000 0.850 784 S CB 1.284 64.542 63.200 0.096 0.000 1.151 784 S HN 2.740 nan 8.310 nan 0.000 0.491 785 G N 2.323 111.136 108.800 0.022 0.000 2.710 785 G HA2 -0.102 3.784 3.960 -0.123 0.000 0.668 785 G HA3 -0.102 3.784 3.960 -0.123 0.000 0.668 785 G C -2.362 172.544 174.900 0.010 0.000 1.320 785 G CA -0.245 44.866 45.100 0.018 0.000 0.860 785 G HN 0.593 nan 8.290 nan 0.000 0.538 786 P HA -0.020 nan 4.420 nan 0.000 0.215 786 P C 1.853 179.156 177.300 0.005 0.000 1.157 786 P CA 2.824 65.927 63.100 0.005 0.000 0.868 786 P CB -0.038 31.666 31.700 0.006 0.000 0.788 787 T N -5.820 108.739 114.554 0.008 0.000 3.134 787 T HA 0.242 4.518 4.350 -0.123 0.000 0.260 787 T C 0.321 175.027 174.700 0.010 0.000 1.027 787 T CA -0.325 61.780 62.100 0.008 0.000 0.913 787 T CB -1.254 67.619 68.868 0.008 0.000 1.046 787 T HN 0.034 nan 8.240 nan 0.000 0.553 788 N N 2.096 120.803 118.700 0.011 0.000 2.735 788 N HA -0.186 4.480 4.740 -0.123 0.000 0.248 788 N C 0.840 176.362 175.510 0.020 0.000 1.083 788 N CA 0.996 54.055 53.050 0.015 0.000 0.703 788 N CB -0.711 37.782 38.487 0.010 0.000 1.005 788 N HN 0.889 nan 8.380 nan 0.000 0.550 789 E N -1.546 118.667 120.200 0.021 0.000 2.473 789 E HA 0.068 4.344 4.350 -0.123 0.000 0.204 789 E C -0.518 176.099 176.600 0.029 0.000 0.994 789 E CA -0.167 56.247 56.400 0.022 0.000 0.945 789 E CB 0.484 30.194 29.700 0.017 0.000 0.990 789 E HN 0.227 nan 8.360 nan 0.000 0.493 790 D N 1.823 122.244 120.400 0.035 0.000 2.264 790 D HA 0.200 4.766 4.640 -0.123 0.000 0.249 790 D C -0.565 175.773 176.300 0.062 0.000 1.070 790 D CA -0.480 53.547 54.000 0.044 0.000 0.912 790 D CB 2.195 43.023 40.800 0.047 0.000 1.193 790 D HN 0.056 nan 8.370 nan 0.000 0.427 791 L N 3.181 124.440 121.223 0.060 0.000 2.255 791 L HA 0.211 4.477 4.340 -0.123 0.000 0.289 791 L C -1.137 175.789 176.870 0.093 0.000 1.046 791 L CA -0.595 54.287 54.840 0.069 0.000 0.816 791 L CB 0.308 42.388 42.059 0.036 0.000 1.197 791 L HN 0.238 nan 8.230 nan 0.000 0.427 792 Y N 6.282 126.591 120.300 0.014 0.000 2.313 792 Y HA 0.591 5.071 4.550 -0.116 0.000 0.332 792 Y C -0.711 175.200 175.900 0.018 0.000 1.071 792 Y CA -0.476 57.633 58.100 0.014 0.000 1.169 792 Y CB 0.954 39.421 38.460 0.012 0.000 1.192 792 Y HN 0.667 nan 8.280 nan 0.000 0.487 793 I N 6.008 126.139 120.570 -0.731 0.000 2.686 793 I HA 0.583 4.679 4.170 -0.123 0.000 0.295 793 I C -1.510 174.224 176.117 -0.638 0.000 1.114 793 I CA -0.377 60.622 61.300 -0.502 0.000 1.038 793 I CB 1.730 39.606 38.000 -0.208 0.000 1.238 793 I HN 0.773 nan 8.210 nan 0.000 0.420 794 S N 5.831 121.329 115.700 -0.338 0.000 2.546 794 S HA 0.688 5.084 4.470 -0.123 0.000 0.274 794 S C -1.331 173.240 174.600 -0.049 0.000 1.121 794 S CA -0.645 57.447 58.200 -0.180 0.000 0.887 794 S CB 1.583 64.747 63.200 -0.059 0.000 1.094 794 S HN 0.693 nan 8.310 nan 0.000 0.474 795 C N 2.327 121.611 119.300 -0.026 0.000 2.396 795 C HA 0.822 5.208 4.460 -0.123 0.000 0.321 795 C C -0.160 174.842 174.990 0.021 0.000 1.233 795 C CA -0.283 58.743 59.018 0.014 0.000 1.440 795 C CB 1.138 28.881 27.740 0.005 0.000 2.110 795 C HN 0.974 nan 8.230 nan 0.000 0.473 796 T N 5.152 119.734 114.554 0.047 0.000 2.786 796 T HA 0.539 4.815 4.350 -0.123 0.000 0.283 796 T C -0.429 174.298 174.700 0.045 0.000 0.992 796 T CA -0.231 61.879 62.100 0.018 0.000 0.954 796 T CB 0.770 69.628 68.868 -0.016 0.000 0.934 796 T HN 0.561 nan 8.240 nan 0.000 0.440 797 M N 5.331 124.942 119.600 0.019 0.000 2.022 797 M HA 0.272 4.678 4.480 -0.123 0.000 0.298 797 M C -1.908 174.390 176.300 -0.004 0.000 0.909 797 M CA -2.095 53.234 55.300 0.050 0.000 0.914 797 M CB 2.594 35.222 32.600 0.047 0.000 1.486 797 M HN 0.269 nan 8.290 nan 0.000 0.415 798 P HA -0.005 nan 4.420 nan 0.000 0.241 798 P C 0.066 177.351 177.300 -0.025 0.000 1.191 798 P CA 0.680 63.722 63.100 -0.097 0.000 0.771 798 P CB 0.260 31.801 31.700 -0.264 0.000 0.929 799 S N -0.890 114.833 115.700 0.038 0.000 2.539 799 S HA 0.349 4.745 4.470 -0.123 0.000 0.185 799 S C -0.231 174.412 174.600 0.072 0.000 1.181 799 S CA -0.662 57.570 58.200 0.054 0.000 1.216 799 S CB -1.142 62.104 63.200 0.078 0.000 1.476 799 S HN -0.087 nan 8.310 nan 0.000 0.395 800 I N 2.339 122.949 120.570 0.067 0.000 2.347 800 I HA 0.200 4.296 4.170 -0.123 0.000 0.294 800 I C 0.075 176.256 176.117 0.108 0.000 1.090 800 I CA -0.017 61.345 61.300 0.104 0.000 1.314 800 I CB 0.550 38.602 38.000 0.087 0.000 1.423 800 I HN 0.446 nan 8.210 nan 0.000 0.503 801 E N 7.554 127.846 120.200 0.154 0.000 2.044 801 E HA 0.598 4.874 4.350 -0.123 0.000 0.282 801 E C -0.640 175.995 176.600 0.058 0.000 1.031 801 E CA -0.140 56.322 56.400 0.104 0.000 0.824 801 E CB 1.716 31.484 29.700 0.113 0.000 1.076 801 E HN 0.480 nan 8.360 nan 0.000 0.395 802 I N 1.441 121.995 120.570 -0.026 0.000 3.093 802 I HA 0.710 4.806 4.170 -0.123 0.000 0.308 802 I C -0.993 175.054 176.117 -0.117 0.000 1.303 802 I CA -0.559 60.656 61.300 -0.143 0.000 0.975 802 I CB 2.213 40.142 38.000 -0.117 0.000 1.286 802 I HN 0.579 nan 8.210 nan 0.000 0.459 803 G N 0.457 109.165 108.800 -0.153 0.000 2.673 803 G HA2 0.442 4.328 3.960 -0.123 0.000 0.292 803 G HA3 0.442 4.328 3.960 -0.123 0.000 0.292 803 G C -0.472 174.357 174.900 -0.119 0.000 1.450 803 G CA 0.257 45.287 45.100 -0.117 0.000 0.837 803 G HN 0.631 nan 8.290 nan 0.000 0.505 804 T N -2.668 111.826 114.554 -0.100 0.000 3.084 804 T HA 0.494 4.770 4.350 -0.123 0.000 0.270 804 T C 0.019 174.672 174.700 -0.078 0.000 1.008 804 T CA -0.022 62.027 62.100 -0.086 0.000 0.900 804 T CB 0.293 69.117 68.868 -0.072 0.000 1.084 804 T HN 0.665 nan 8.240 nan 0.000 0.538 805 V N 0.654 120.517 119.914 -0.085 0.000 2.841 805 V HA 0.828 4.874 4.120 -0.123 0.000 0.310 805 V C 0.596 176.650 176.094 -0.066 0.000 1.090 805 V CA -0.040 62.216 62.300 -0.075 0.000 0.930 805 V CB 1.035 32.802 31.823 -0.094 0.000 1.014 805 V HN 0.870 nan 8.190 nan 0.000 0.425 806 G N 2.325 111.096 108.800 -0.048 0.000 2.730 806 G HA2 0.436 4.322 3.960 -0.123 0.000 0.686 806 G HA3 0.436 4.322 3.960 -0.123 0.000 0.686 806 G C 0.526 175.405 174.900 -0.035 0.000 1.343 806 G CA -0.113 44.965 45.100 -0.037 0.000 0.826 806 G HN 2.421 nan 8.290 nan 0.000 0.582 807 G N -0.180 108.607 108.800 -0.022 0.000 2.596 807 G HA2 0.150 4.036 3.960 -0.123 0.000 0.295 807 G HA3 0.150 4.036 3.960 -0.123 0.000 0.295 807 G C 1.966 176.857 174.900 -0.016 0.000 1.240 807 G CA 2.004 47.094 45.100 -0.017 0.000 0.985 807 G HN 2.526 nan 8.290 nan 0.000 0.555 808 G N -0.558 108.231 108.800 -0.017 0.000 2.559 808 G HA2 0.172 4.058 3.960 -0.123 0.000 0.216 808 G HA3 0.172 4.058 3.960 -0.123 0.000 0.216 808 G C 1.839 176.725 174.900 -0.023 0.000 1.126 808 G CA 2.264 47.357 45.100 -0.011 0.000 0.778 808 G HN 1.929 nan 8.290 nan 0.000 0.543 809 T N -1.835 112.696 114.554 -0.039 0.000 3.118 809 T HA 0.005 4.281 4.350 -0.123 0.000 0.260 809 T C 1.841 176.519 174.700 -0.037 0.000 1.139 809 T CA 0.762 62.836 62.100 -0.044 0.000 1.085 809 T CB -0.185 68.647 68.868 -0.060 0.000 0.934 809 T HN 0.102 nan 8.240 nan 0.000 0.518 810 N N 0.962 119.644 118.700 -0.030 0.000 2.463 810 N HA 0.206 4.872 4.740 -0.123 0.000 0.181 810 N C 0.292 175.781 175.510 -0.036 0.000 1.078 810 N CA 0.195 53.227 53.050 -0.030 0.000 0.902 810 N CB -0.159 38.314 38.487 -0.023 0.000 0.970 810 N HN 0.525 nan 8.380 nan 0.000 0.451 811 L N 0.915 122.119 121.223 -0.032 0.000 2.350 811 L HA 0.218 4.484 4.340 -0.123 0.000 0.275 811 L C 1.782 178.619 176.870 -0.055 0.000 1.099 811 L CA -0.460 54.354 54.840 -0.044 0.000 0.808 811 L CB 1.131 43.184 42.059 -0.009 0.000 1.149 811 L HN -0.096 nan 8.230 nan 0.000 0.442 812 L N 2.305 123.475 121.223 -0.088 0.000 2.012 812 L HA -0.147 4.119 4.340 -0.123 0.000 0.210 812 L C -0.348 176.485 176.870 -0.062 0.000 1.073 812 L CA 1.614 56.404 54.840 -0.084 0.000 0.748 812 L CB -1.552 40.437 42.059 -0.118 0.000 0.891 812 L HN 0.596 nan 8.230 nan 0.000 0.431 813 P HA -0.180 nan 4.420 nan 0.000 0.215 813 P C 1.452 178.741 177.300 -0.019 0.000 1.153 813 P CA 1.120 64.200 63.100 -0.033 0.000 0.853 813 P CB -0.082 31.609 31.700 -0.015 0.000 0.788 814 Q N -0.280 119.511 119.800 -0.016 0.000 2.172 814 Q HA -0.143 4.123 4.340 -0.123 0.000 0.200 814 Q C 2.002 177.989 176.000 -0.022 0.000 0.964 814 Q CA 1.305 57.099 55.803 -0.015 0.000 0.855 814 Q CB -1.115 27.615 28.738 -0.014 0.000 0.918 814 Q HN 0.453 nan 8.270 nan 0.000 0.444 815 Q N 0.648 120.431 119.800 -0.028 0.000 2.167 815 Q HA -0.027 4.239 4.340 -0.123 0.000 0.202 815 Q C 2.111 178.099 176.000 -0.020 0.000 0.970 815 Q CA 1.278 57.064 55.803 -0.028 0.000 0.855 815 Q CB -0.163 28.555 28.738 -0.033 0.000 0.911 815 Q HN 0.502 nan 8.270 nan 0.000 0.438 816 A N 0.195 123.003 122.820 -0.020 0.000 1.877 816 A HA -0.200 4.046 4.320 -0.123 0.000 0.216 816 A C 2.277 179.859 177.584 -0.004 0.000 1.186 816 A CA 1.313 53.342 52.037 -0.013 0.000 0.620 816 A CB -0.897 18.093 19.000 -0.016 0.000 0.822 816 A HN 0.485 nan 8.150 nan 0.000 0.443 817 C N -0.877 118.421 119.300 -0.003 0.000 2.440 817 C HA 0.018 4.404 4.460 -0.123 0.000 0.278 817 C C 2.631 177.625 174.990 0.006 0.000 1.295 817 C CA 0.854 59.875 59.018 0.005 0.000 1.738 817 C CB -1.459 26.284 27.740 0.005 0.000 1.987 817 C HN 0.616 nan 8.230 nan 0.000 0.492 818 L N 0.034 121.254 121.223 -0.005 0.000 2.056 818 L HA -0.199 4.067 4.340 -0.123 0.000 0.207 818 L C 2.731 179.607 176.870 0.009 0.000 1.078 818 L CA 1.457 56.293 54.840 -0.007 0.000 0.749 818 L CB -0.663 41.383 42.059 -0.023 0.000 0.901 818 L HN 0.407 nan 8.230 nan 0.000 0.433 819 Q N -0.707 119.097 119.800 0.007 0.000 2.124 819 Q HA -0.245 4.021 4.340 -0.123 0.000 0.202 819 Q C 2.317 178.333 176.000 0.028 0.000 0.977 819 Q CA 1.533 57.344 55.803 0.013 0.000 0.850 819 Q CB -0.104 28.636 28.738 0.003 0.000 0.901 819 Q HN 0.436 nan 8.270 nan 0.000 0.429 820 M N -0.062 119.556 119.600 0.029 0.000 2.195 820 M HA -0.209 4.197 4.480 -0.123 0.000 0.260 820 M C 1.243 177.591 176.300 0.080 0.000 1.066 820 M CA 1.408 56.733 55.300 0.042 0.000 1.089 820 M CB 0.138 32.761 32.600 0.038 0.000 1.377 820 M HN 0.240 nan 8.290 nan 0.000 0.411 821 L N -1.372 119.908 121.223 0.095 0.000 2.567 821 L HA 0.213 4.479 4.340 -0.123 0.000 0.225 821 L C 1.197 178.181 176.870 0.189 0.000 1.119 821 L CA 0.290 55.237 54.840 0.179 0.000 0.871 821 L CB -0.103 42.015 42.059 0.099 0.000 1.036 821 L HN 0.564 nan 8.230 nan 0.000 0.459 822 G N 1.035 109.896 108.800 0.102 0.000 2.176 822 G HA2 -0.256 3.630 3.960 -0.123 0.000 0.252 822 G HA3 -0.256 3.630 3.960 -0.123 0.000 0.252 822 G C 0.543 175.483 174.900 0.067 0.000 1.024 822 G CA 0.410 45.559 45.100 0.081 0.000 0.755 822 G HN 0.374 nan 8.290 nan 0.000 0.507 823 V N -3.422 116.517 119.914 0.042 0.000 3.166 823 V HA 0.488 4.534 4.120 -0.123 0.000 0.332 823 V C 0.639 176.727 176.094 -0.009 0.000 1.434 823 V CA 0.335 62.643 62.300 0.014 0.000 1.121 823 V CB 0.861 32.681 31.823 -0.004 0.000 1.062 823 V HN 0.424 nan 8.190 nan 0.000 0.489 824 Q N 2.023 121.819 119.800 -0.006 0.000 2.337 824 Q HA 0.458 4.724 4.340 -0.123 0.000 0.270 824 Q C 0.826 176.812 176.000 -0.023 0.000 1.002 824 Q CA 1.813 57.605 55.803 -0.019 0.000 0.888 824 Q CB 1.008 29.737 28.738 -0.014 0.000 1.222 824 Q HN 1.160 nan 8.270 nan 0.000 0.400 825 G N 2.640 111.419 108.800 -0.035 0.000 2.697 825 G HA2 -0.215 3.671 3.960 -0.123 0.000 0.240 825 G HA3 -0.215 3.671 3.960 -0.123 0.000 0.240 825 G C -0.504 174.368 174.900 -0.047 0.000 1.346 825 G CA -0.210 44.866 45.100 -0.039 0.000 0.887 825 G HN 1.053 nan 8.290 nan 0.000 0.569 826 A N -1.243 121.549 122.820 -0.047 0.000 2.407 826 A HA 0.497 4.743 4.320 -0.123 0.000 0.248 826 A C 0.886 178.453 177.584 -0.028 0.000 1.082 826 A CA 0.807 52.809 52.037 -0.058 0.000 0.785 826 A CB 0.631 19.600 19.000 -0.050 0.000 1.020 826 A HN 2.304 nan 8.150 nan 0.000 0.489 827 C N 4.462 123.745 119.300 -0.028 0.000 2.200 827 C HA 0.375 4.761 4.460 -0.123 0.000 0.328 827 C C 1.483 176.485 174.990 0.019 0.000 1.148 827 C CA -0.971 58.045 59.018 -0.002 0.000 1.624 827 C CB -1.066 26.673 27.740 -0.002 0.000 2.167 827 C HN 0.894 nan 8.230 nan 0.000 0.484 828 K N 2.837 123.253 120.400 0.027 0.000 2.001 828 K HA -0.129 4.117 4.320 -0.123 0.000 0.214 828 K C 1.314 177.944 176.600 0.051 0.000 1.050 828 K CA 1.883 58.196 56.287 0.044 0.000 0.934 828 K CB -0.303 32.217 32.500 0.034 0.000 0.718 828 K HN 0.726 nan 8.250 nan 0.000 0.443 829 D N 0.311 120.734 120.400 0.038 0.000 2.219 829 D HA -0.091 4.475 4.640 -0.123 0.000 0.205 829 D C 0.275 176.600 176.300 0.043 0.000 0.970 829 D CA 0.855 54.877 54.000 0.037 0.000 0.851 829 D CB -0.061 40.756 40.800 0.028 0.000 0.943 829 D HN 0.111 nan 8.370 nan 0.000 0.488 830 N N -0.100 118.627 118.700 0.044 0.000 2.732 830 N HA 0.168 4.834 4.740 -0.123 0.000 0.247 830 N C -2.972 172.564 175.510 0.045 0.000 1.305 830 N CA -1.496 51.582 53.050 0.047 0.000 0.762 830 N CB 1.320 39.828 38.487 0.034 0.000 1.361 830 N HN -0.298 nan 8.380 nan 0.000 0.545 831 P HA 0.176 nan 4.420 nan 0.000 0.260 831 P C 0.816 178.117 177.300 0.002 0.000 1.185 831 P CA 1.038 64.167 63.100 0.048 0.000 0.763 831 P CB 0.494 32.325 31.700 0.219 0.000 0.776 832 G N 3.229 111.992 108.800 -0.061 0.000 2.232 832 G HA2 -0.283 3.603 3.960 -0.123 0.000 0.226 832 G HA3 -0.283 3.603 3.960 -0.123 0.000 0.226 832 G C 1.204 176.085 174.900 -0.030 0.000 0.996 832 G CA 0.405 45.473 45.100 -0.053 0.000 0.626 832 G HN 0.514 nan 8.290 nan 0.000 0.509 833 E N 1.332 121.524 120.200 -0.014 0.000 2.153 833 E HA -0.056 4.220 4.350 -0.123 0.000 0.194 833 E C 2.178 178.772 176.600 -0.010 0.000 0.988 833 E CA 1.979 58.377 56.400 -0.003 0.000 0.811 833 E CB -0.312 29.394 29.700 0.011 0.000 0.746 833 E HN 0.508 nan 8.360 nan 0.000 0.466 834 N N 0.004 118.692 118.700 -0.021 0.000 2.142 834 N HA -0.066 4.600 4.740 -0.123 0.000 0.186 834 N C 1.529 177.014 175.510 -0.041 0.000 1.023 834 N CA 1.585 54.620 53.050 -0.024 0.000 0.852 834 N CB -0.612 37.857 38.487 -0.031 0.000 0.998 834 N HN 0.297 nan 8.380 nan 0.000 0.424 835 A N 1.247 124.035 122.820 -0.053 0.000 1.898 835 A HA -0.080 4.166 4.320 -0.123 0.000 0.216 835 A C 2.226 179.781 177.584 -0.048 0.000 1.181 835 A CA 1.082 53.083 52.037 -0.061 0.000 0.620 835 A CB -0.345 18.614 19.000 -0.068 0.000 0.819 835 A HN 0.218 nan 8.150 nan 0.000 0.442 836 R N -1.188 119.291 120.500 -0.036 0.000 2.081 836 R HA -0.156 4.110 4.340 -0.123 0.000 0.235 836 R C 2.476 178.753 176.300 -0.038 0.000 1.131 836 R CA 1.568 57.651 56.100 -0.028 0.000 0.960 836 R CB -0.249 30.042 30.300 -0.014 0.000 0.856 836 R HN 0.600 nan 8.270 nan 0.000 0.436 837 Q N 1.057 120.834 119.800 -0.038 0.000 2.084 837 Q HA -0.142 4.124 4.340 -0.123 0.000 0.202 837 Q C 1.885 177.809 176.000 -0.127 0.000 0.978 837 Q CA 1.317 57.084 55.803 -0.059 0.000 0.844 837 Q CB -0.273 28.457 28.738 -0.013 0.000 0.898 837 Q HN 0.219 nan 8.270 nan 0.000 0.426 838 L N 0.072 121.235 121.223 -0.101 0.000 2.083 838 L HA 0.000 4.266 4.340 -0.123 0.000 0.209 838 L C 2.024 178.837 176.870 -0.095 0.000 1.083 838 L CA 2.206 56.977 54.840 -0.115 0.000 0.752 838 L CB -1.123 40.883 42.059 -0.089 0.000 0.899 838 L HN 0.240 nan 8.230 nan 0.000 0.433 839 A N -0.479 122.303 122.820 -0.064 0.000 1.930 839 A HA -0.174 4.072 4.320 -0.123 0.000 0.217 839 A C 2.386 179.940 177.584 -0.051 0.000 1.175 839 A CA 1.474 53.492 52.037 -0.031 0.000 0.627 839 A CB -0.481 18.509 19.000 -0.016 0.000 0.815 839 A HN 0.489 nan 8.150 nan 0.000 0.443 840 R N -0.571 119.881 120.500 -0.080 0.000 2.081 840 R HA -0.046 4.220 4.340 -0.123 0.000 0.235 840 R C 1.997 178.211 176.300 -0.143 0.000 1.131 840 R CA 1.529 57.575 56.100 -0.091 0.000 0.960 840 R CB -0.559 29.690 30.300 -0.085 0.000 0.856 840 R HN 0.569 nan 8.270 nan 0.000 0.436 841 I N 0.453 120.879 120.570 -0.240 0.000 2.226 841 I HA -0.257 3.839 4.170 -0.123 0.000 0.245 841 I C 2.359 178.384 176.117 -0.153 0.000 1.100 841 I CA 1.103 62.215 61.300 -0.313 0.000 1.374 841 I CB -0.227 37.497 38.000 -0.459 0.000 1.057 841 I HN -0.052 nan 8.210 nan 0.000 0.413 842 V N -0.083 119.776 119.914 -0.091 0.000 2.295 842 V HA -0.353 3.693 4.120 -0.123 0.000 0.246 842 V C 2.565 178.636 176.094 -0.039 0.000 1.049 842 V CA 1.985 64.266 62.300 -0.032 0.000 1.024 842 V CB -0.517 31.331 31.823 0.041 0.000 0.648 842 V HN 0.638 nan 8.190 nan 0.000 0.447 843 C N 0.798 120.075 119.300 -0.038 0.000 2.425 843 C HA -0.068 4.318 4.460 -0.123 0.000 0.277 843 C C 2.915 177.883 174.990 -0.037 0.000 1.280 843 C CA 0.952 59.952 59.018 -0.030 0.000 1.744 843 C CB -1.539 26.187 27.740 -0.023 0.000 1.989 843 C HN 0.659 nan 8.230 nan 0.000 0.491 844 G N -0.619 108.152 108.800 -0.049 0.000 2.402 844 G HA2 -0.132 3.754 3.960 -0.123 0.000 0.216 844 G HA3 -0.132 3.754 3.960 -0.123 0.000 0.216 844 G C 1.763 176.645 174.900 -0.030 0.000 1.162 844 G CA 1.517 46.595 45.100 -0.037 0.000 0.777 844 G HN 0.537 nan 8.290 nan 0.000 0.539 845 T N 0.880 115.409 114.554 -0.041 0.000 2.821 845 T HA -0.067 4.209 4.350 -0.123 0.000 0.267 845 T C 2.494 177.166 174.700 -0.047 0.000 1.046 845 T CA 0.964 63.043 62.100 -0.034 0.000 1.139 845 T CB -0.162 68.683 68.868 -0.037 0.000 0.871 845 T HN 0.045 nan 8.240 nan 0.000 0.454 846 V N 1.675 121.554 119.914 -0.058 0.000 2.295 846 V HA -0.201 3.845 4.120 -0.123 0.000 0.246 846 V C 2.459 178.527 176.094 -0.044 0.000 1.049 846 V CA 1.876 64.130 62.300 -0.077 0.000 1.024 846 V CB -0.552 31.233 31.823 -0.063 0.000 0.648 846 V HN 0.479 nan 8.190 nan 0.000 0.447 847 M N -0.255 119.329 119.600 -0.027 0.000 2.117 847 M HA -0.175 4.230 4.480 -0.123 0.000 0.262 847 M C 2.135 178.432 176.300 -0.004 0.000 1.065 847 M CA 2.189 57.479 55.300 -0.017 0.000 1.114 847 M CB -0.287 32.294 32.600 -0.031 0.000 1.361 847 M HN 0.352 nan 8.290 nan 0.000 0.408 848 A N -0.017 122.801 122.820 -0.003 0.000 1.902 848 A HA -0.074 4.172 4.320 -0.123 0.000 0.217 848 A C 2.257 179.863 177.584 0.037 0.000 1.181 848 A CA 1.870 53.915 52.037 0.012 0.000 0.623 848 A CB -1.644 17.363 19.000 0.012 0.000 0.818 848 A HN 0.635 nan 8.150 nan 0.000 0.443 849 G N -0.662 108.156 108.800 0.030 0.000 2.408 849 G HA2 -0.153 3.733 3.960 -0.123 0.000 0.217 849 G HA3 -0.153 3.733 3.960 -0.123 0.000 0.217 849 G C 1.405 176.468 174.900 0.271 0.000 1.150 849 G CA 0.892 46.058 45.100 0.111 0.000 0.776 849 G HN 0.502 nan 8.290 nan 0.000 0.542 850 E N 0.370 120.656 120.200 0.143 0.000 2.072 850 E HA -0.027 4.249 4.350 -0.123 0.000 0.191 850 E C 2.620 179.269 176.600 0.082 0.000 0.985 850 E CA 0.278 56.764 56.400 0.145 0.000 0.801 850 E CB -0.377 29.370 29.700 0.078 0.000 0.750 850 E HN 0.385 nan 8.360 nan 0.000 0.452 851 L N 0.724 121.977 121.223 0.051 0.000 1.989 851 L HA -0.229 4.037 4.340 -0.123 0.000 0.211 851 L C 2.744 179.630 176.870 0.027 0.000 1.071 851 L CA 1.413 56.269 54.840 0.026 0.000 0.749 851 L CB -0.349 41.718 42.059 0.014 0.000 0.890 851 L HN 0.135 nan 8.230 nan 0.000 0.431 852 S N -0.396 115.329 115.700 0.041 0.000 2.345 852 S HA -0.189 4.207 4.470 -0.123 0.000 0.220 852 S C 1.852 176.451 174.600 -0.002 0.000 1.031 852 S CA 1.391 59.607 58.200 0.027 0.000 0.996 852 S CB -0.249 62.975 63.200 0.040 0.000 0.882 852 S HN 0.304 nan 8.310 nan 0.000 0.445 853 L N 1.677 122.888 121.223 -0.020 0.000 2.046 853 L HA 0.048 4.314 4.340 -0.123 0.000 0.208 853 L C 2.207 179.027 176.870 -0.083 0.000 1.077 853 L CA 1.868 56.628 54.840 -0.134 0.000 0.747 853 L CB -0.737 41.067 42.059 -0.426 0.000 0.896 853 L HN 0.300 nan 8.230 nan 0.000 0.432 854 M N -0.595 118.983 119.600 -0.036 0.000 2.159 854 M HA -0.118 4.288 4.480 -0.123 0.000 0.263 854 M C 2.385 178.678 176.300 -0.011 0.000 1.063 854 M CA 1.680 56.970 55.300 -0.018 0.000 1.110 854 M CB -1.652 30.951 32.600 0.005 0.000 1.374 854 M HN 0.454 nan 8.290 nan 0.000 0.411 855 A N 0.104 122.920 122.820 -0.007 0.000 1.898 855 A HA 0.046 4.292 4.320 -0.123 0.000 0.216 855 A C 2.422 180.002 177.584 -0.007 0.000 1.181 855 A CA 1.914 53.950 52.037 -0.002 0.000 0.620 855 A CB -0.835 18.166 19.000 0.002 0.000 0.819 855 A HN 0.466 nan 8.150 nan 0.000 0.442 856 A N -0.387 122.422 122.820 -0.018 0.000 1.933 856 A HA 0.003 4.249 4.320 -0.123 0.000 0.218 856 A C 2.141 179.714 177.584 -0.017 0.000 1.175 856 A CA 1.428 53.452 52.037 -0.022 0.000 0.628 856 A CB -0.512 18.466 19.000 -0.037 0.000 0.814 856 A HN 0.468 nan 8.150 nan 0.000 0.444 857 L N -1.081 120.128 121.223 -0.023 0.000 2.109 857 L HA -0.108 4.158 4.340 -0.123 0.000 0.207 857 L C 3.067 179.942 176.870 0.009 0.000 1.086 857 L CA 0.872 55.706 54.840 -0.011 0.000 0.760 857 L CB -0.463 41.583 42.059 -0.023 0.000 0.910 857 L HN 0.424 nan 8.230 nan 0.000 0.437 858 A N 0.051 122.874 122.820 0.005 0.000 1.873 858 A HA -0.109 4.137 4.320 -0.123 0.000 0.215 858 A C 2.458 180.052 177.584 0.017 0.000 1.186 858 A CA 1.676 53.720 52.037 0.011 0.000 0.616 858 A CB -0.638 18.367 19.000 0.008 0.000 0.823 858 A HN 0.377 nan 8.150 nan 0.000 0.442 859 A N -0.136 122.693 122.820 0.015 0.000 1.823 859 A HA 0.349 4.595 4.320 -0.123 0.000 0.214 859 A C 1.755 179.360 177.584 0.035 0.000 1.225 859 A CA 1.137 53.185 52.037 0.019 0.000 0.604 859 A CB -1.492 17.515 19.000 0.012 0.000 0.878 859 A HN 0.970 nan 8.150 nan 0.000 0.450 860 G N -0.405 108.416 108.800 0.034 0.000 2.372 860 G HA2 0.454 4.340 3.960 -0.123 0.000 0.286 860 G HA3 0.454 4.340 3.960 -0.123 0.000 0.286 860 G C 0.024 175.006 174.900 0.136 0.000 1.153 860 G CA 0.464 45.598 45.100 0.057 0.000 0.985 860 G HN 0.672 nan 8.290 nan 0.000 0.429 861 H N 0.000 119.063 119.070 -0.012 0.000 2.539 861 H HA 0.000 4.482 4.556 -0.124 0.000 0.296 861 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 861 H CB 0.000 29.754 29.762 -0.014 0.000 1.292 861 H HN 0.000 nan 8.280 nan 0.000 0.496