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 3izl_1_B DATA FIRST_RESID 492 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 492 V HA 0.000 nan 4.120 nan 0.000 0.244 492 V C 0.000 176.090 176.094 -0.006 0.000 1.182 492 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 492 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 493 L N 2.397 123.616 121.223 -0.008 0.000 2.325 493 L HA 0.580 4.921 4.340 0.000 0.000 0.279 493 L C -2.174 174.691 176.870 -0.009 0.000 1.054 493 L CA -1.553 53.282 54.840 -0.008 0.000 0.804 493 L CB 0.751 42.804 42.059 -0.010 0.000 1.200 493 L HN 0.140 nan 8.230 nan 0.000 0.436 494 P HA 0.020 nan 4.420 nan 0.000 0.266 494 P C -0.535 176.760 177.300 -0.009 0.000 1.195 494 P CA -0.255 62.841 63.100 -0.006 0.000 0.768 494 P CB 0.459 32.156 31.700 -0.005 0.000 0.838 495 E N 2.541 122.736 120.200 -0.009 0.000 2.376 495 E HA -0.040 4.310 4.350 0.000 0.000 0.266 495 E C 0.135 176.730 176.600 -0.009 0.000 1.009 495 E CA 0.092 56.486 56.400 -0.010 0.000 0.902 495 E CB 0.032 29.727 29.700 -0.009 0.000 0.972 495 E HN 0.374 nan 8.360 nan 0.000 0.439 496 N N 1.903 120.597 118.700 -0.010 0.000 2.990 496 N HA -0.189 4.552 4.740 0.000 0.000 0.163 496 N C -0.151 175.356 175.510 -0.004 0.000 1.452 496 N CA 0.737 53.784 53.050 -0.006 0.000 1.624 496 N CB -1.227 37.259 38.487 -0.002 0.000 1.088 496 N HN 0.590 nan 8.380 nan 0.000 0.695 497 M N 2.750 122.345 119.600 -0.007 0.000 2.249 497 M HA 0.063 4.544 4.480 0.000 0.000 0.340 497 M C 0.236 176.527 176.300 -0.015 0.000 1.166 497 M CA 0.481 55.777 55.300 -0.006 0.000 1.115 497 M CB 0.439 33.034 32.600 -0.007 0.000 1.606 497 M HN 0.108 nan 8.290 nan 0.000 0.448 498 K N 4.693 125.091 120.400 -0.004 0.000 2.259 498 K HA 0.685 5.005 4.320 0.000 0.000 0.249 498 K C -1.238 175.351 176.600 -0.017 0.000 0.942 498 K CA -1.053 55.220 56.287 -0.023 0.000 0.816 498 K CB 2.248 34.773 32.500 0.040 0.000 1.155 498 K HN 0.787 nan 8.250 nan 0.000 0.428 499 R N 2.256 122.681 120.500 -0.125 0.000 2.548 499 R HA 0.316 4.656 4.340 0.000 0.000 0.280 499 R C -1.814 174.337 176.300 -0.249 0.000 1.061 499 R CA -0.599 55.455 56.100 -0.076 0.000 0.915 499 R CB 1.328 31.593 30.300 -0.058 0.000 1.210 499 R HN 0.744 nan 8.270 nan 0.000 0.442 500 Y N 4.171 124.471 120.300 -0.001 0.000 2.485 500 Y HA 0.595 5.146 4.550 0.000 0.000 0.345 500 Y C 0.245 176.149 175.900 0.006 0.000 0.998 500 Y CA -0.861 57.244 58.100 0.008 0.000 1.059 500 Y CB 2.307 40.780 38.460 0.022 0.000 1.234 500 Y HN 0.426 nan 8.280 nan 0.000 0.461 501 M N 0.892 120.581 119.600 0.147 0.000 2.520 501 M HA 0.755 5.236 4.480 0.000 0.000 0.280 501 M C 0.020 176.359 176.300 0.065 0.000 1.232 501 M CA -0.215 55.132 55.300 0.079 0.000 0.892 501 M CB 1.272 33.893 32.600 0.036 0.000 1.728 501 M HN 0.874 nan 8.290 nan 0.000 0.475 502 G N 2.940 111.764 108.800 0.040 0.000 2.622 502 G HA2 -0.368 3.592 3.960 0.000 0.000 0.307 502 G HA3 -0.368 3.592 3.960 0.000 0.000 0.307 502 G C 0.615 175.532 174.900 0.029 0.000 1.226 502 G CA 1.197 46.310 45.100 0.021 0.000 0.997 502 G HN 1.169 nan 8.290 nan 0.000 0.551 503 R N 0.334 120.848 120.500 0.024 0.000 2.127 503 R HA -0.080 4.260 4.340 0.000 0.000 0.238 503 R C 2.126 178.453 176.300 0.046 0.000 1.134 503 R CA 2.218 58.333 56.100 0.024 0.000 0.975 503 R CB -0.391 29.919 30.300 0.017 0.000 0.865 503 R HN 0.613 nan 8.270 nan 0.000 0.447 504 D N -0.147 120.301 120.400 0.080 0.000 2.194 504 D HA -0.063 4.577 4.640 0.000 0.000 0.204 504 D C 1.669 178.056 176.300 0.145 0.000 0.964 504 D CA 1.201 55.285 54.000 0.139 0.000 0.846 504 D CB -0.024 40.905 40.800 0.215 0.000 0.962 504 D HN 0.360 nan 8.370 nan 0.000 0.490 505 A N 1.082 123.987 122.820 0.141 0.000 1.898 505 A HA -0.172 4.149 4.320 0.000 0.000 0.216 505 A C 2.143 179.755 177.584 0.047 0.000 1.181 505 A CA 1.124 53.225 52.037 0.108 0.000 0.620 505 A CB -0.276 18.789 19.000 0.110 0.000 0.819 505 A HN 0.062 nan 8.150 nan 0.000 0.442 506 Q N -0.889 118.932 119.800 0.035 0.000 2.123 506 Q HA -0.122 4.219 4.340 0.000 0.000 0.199 506 Q C 2.243 178.239 176.000 -0.006 0.000 0.966 506 Q CA 1.573 57.384 55.803 0.013 0.000 0.845 506 Q CB -0.318 28.424 28.738 0.007 0.000 0.907 506 Q HN 0.616 nan 8.270 nan 0.000 0.439 507 R N 1.128 121.626 120.500 -0.004 0.000 2.066 507 R HA -0.011 4.329 4.340 0.000 0.000 0.232 507 R C 2.152 178.417 176.300 -0.058 0.000 1.131 507 R CA 1.434 57.522 56.100 -0.020 0.000 0.955 507 R CB -0.586 29.713 30.300 -0.001 0.000 0.851 507 R HN 0.247 nan 8.270 nan 0.000 0.432 508 M N 0.304 119.860 119.600 -0.073 0.000 2.080 508 M HA -0.200 4.280 4.480 0.000 0.000 0.260 508 M C 1.062 177.233 176.300 -0.216 0.000 1.068 508 M CA 2.195 57.405 55.300 -0.150 0.000 1.109 508 M CB -0.264 32.168 32.600 -0.280 0.000 1.342 508 M HN 0.157 nan 8.290 nan 0.000 0.405 509 N N 0.743 119.369 118.700 -0.123 0.000 2.120 509 N HA -0.073 4.667 4.740 0.000 0.000 0.188 509 N C 1.590 176.964 175.510 -0.227 0.000 1.024 509 N CA 1.637 54.566 53.050 -0.203 0.000 0.852 509 N CB -0.441 38.066 38.487 0.033 0.000 1.003 509 N HN 0.442 nan 8.380 nan 0.000 0.424 510 I N -0.074 120.423 120.570 -0.122 0.000 2.315 510 I HA -0.184 3.986 4.170 0.000 0.000 0.248 510 I C 1.986 178.034 176.117 -0.116 0.000 1.117 510 I CA 0.438 61.684 61.300 -0.089 0.000 1.404 510 I CB -0.103 37.871 38.000 -0.043 0.000 1.071 510 I HN 0.111 nan 8.210 nan 0.000 0.419 511 L N 1.291 122.430 121.223 -0.139 0.000 2.017 511 L HA -0.150 4.190 4.340 0.000 0.000 0.208 511 L C 2.583 179.352 176.870 -0.169 0.000 1.073 511 L CA 2.166 56.928 54.840 -0.130 0.000 0.745 511 L CB -0.793 41.196 42.059 -0.117 0.000 0.894 511 L HN 0.179 nan 8.230 nan 0.000 0.432 512 A N -0.507 122.135 122.820 -0.297 0.000 1.908 512 A HA -0.100 4.221 4.320 0.000 0.000 0.218 512 A C 2.339 179.808 177.584 -0.192 0.000 1.181 512 A CA 1.678 53.522 52.037 -0.322 0.000 0.627 512 A CB -1.627 16.923 19.000 -0.750 0.000 0.818 512 A HN 0.541 nan 8.150 nan 0.000 0.445 513 G N -0.716 107.977 108.800 -0.178 0.000 2.408 513 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 513 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 513 G C 1.683 176.540 174.900 -0.072 0.000 1.150 513 G CA 1.199 46.242 45.100 -0.096 0.000 0.776 513 G HN 0.525 nan 8.290 nan 0.000 0.542 514 R N 0.689 121.143 120.500 -0.077 0.000 2.081 514 R HA 0.077 4.417 4.340 0.000 0.000 0.235 514 R C 2.438 178.706 176.300 -0.053 0.000 1.131 514 R CA 1.147 57.212 56.100 -0.058 0.000 0.960 514 R CB -0.707 29.560 30.300 -0.055 0.000 0.856 514 R HN 0.423 nan 8.270 nan 0.000 0.436 515 I N 0.228 120.761 120.570 -0.062 0.000 2.208 515 I HA -0.275 3.895 4.170 0.000 0.000 0.245 515 I C 1.753 177.846 176.117 -0.040 0.000 1.097 515 I CA 0.878 62.149 61.300 -0.049 0.000 1.363 515 I CB -0.279 37.690 38.000 -0.052 0.000 1.051 515 I HN 0.155 nan 8.210 nan 0.000 0.413 516 I N 1.017 121.562 120.570 -0.043 0.000 2.226 516 I HA -0.247 3.924 4.170 0.000 0.000 0.245 516 I C 2.854 178.953 176.117 -0.030 0.000 1.100 516 I CA 1.689 62.970 61.300 -0.032 0.000 1.374 516 I CB -1.543 36.439 38.000 -0.029 0.000 1.057 516 I HN 0.179 nan 8.210 nan 0.000 0.413 517 A N 0.300 123.100 122.820 -0.034 0.000 1.933 517 A HA -0.174 4.146 4.320 0.000 0.000 0.218 517 A C 2.173 179.738 177.584 -0.033 0.000 1.175 517 A CA 1.299 53.316 52.037 -0.034 0.000 0.628 517 A CB -0.396 18.582 19.000 -0.037 0.000 0.814 517 A HN 0.354 nan 8.150 nan 0.000 0.444 518 E N -0.371 119.809 120.200 -0.033 0.000 2.106 518 E HA -0.108 4.243 4.350 0.000 0.000 0.192 518 E C 2.111 178.694 176.600 -0.027 0.000 0.984 518 E CA 1.625 58.007 56.400 -0.030 0.000 0.806 518 E CB -0.677 29.005 29.700 -0.030 0.000 0.750 518 E HN 0.604 nan 8.360 nan 0.000 0.458 519 T N 1.027 115.566 114.554 -0.026 0.000 2.777 519 T HA -0.105 4.245 4.350 0.000 0.000 0.266 519 T C 2.107 176.794 174.700 -0.022 0.000 1.040 519 T CA 1.788 63.875 62.100 -0.022 0.000 1.141 519 T CB -0.118 68.738 68.868 -0.019 0.000 0.868 519 T HN 0.208 nan 8.240 nan 0.000 0.444 520 V N 1.434 121.334 119.914 -0.023 0.000 2.992 520 V HA 0.134 4.254 4.120 0.000 0.000 0.250 520 V C 2.320 178.398 176.094 -0.026 0.000 1.090 520 V CA 0.785 63.071 62.300 -0.022 0.000 1.101 520 V CB -0.773 31.037 31.823 -0.020 0.000 0.743 520 V HN 0.436 nan 8.190 nan 0.000 0.468 521 R N 2.873 123.355 120.500 -0.030 0.000 2.249 521 R HA -0.096 4.244 4.340 0.000 0.000 0.230 521 R C 1.919 178.198 176.300 -0.035 0.000 1.121 521 R CA 1.804 57.884 56.100 -0.034 0.000 0.997 521 R CB -1.037 29.241 30.300 -0.037 0.000 0.867 521 R HN 0.687 nan 8.270 nan 0.000 0.465 522 S N -0.127 115.554 115.700 -0.032 0.000 2.603 522 S HA -0.039 4.432 4.470 0.000 0.000 0.220 522 S C 1.562 176.142 174.600 -0.033 0.000 0.967 522 S CA 0.464 58.645 58.200 -0.033 0.000 0.920 522 S CB 0.305 63.487 63.200 -0.029 0.000 0.773 522 S HN 0.551 nan 8.310 nan 0.000 0.529 523 T N -0.997 113.539 114.554 -0.031 0.000 3.022 523 T HA 0.324 4.675 4.350 0.000 0.000 0.250 523 T C 0.380 175.060 174.700 -0.033 0.000 1.060 523 T CA -0.476 61.606 62.100 -0.029 0.000 1.013 523 T CB -0.468 68.387 68.868 -0.021 0.000 0.982 523 T HN 0.267 nan 8.240 nan 0.000 0.508 524 L N 3.011 124.212 121.223 -0.037 0.000 2.534 524 L HA 0.501 4.841 4.340 0.000 0.000 0.271 524 L C 0.725 177.565 176.870 -0.051 0.000 1.178 524 L CA 1.628 56.445 54.840 -0.039 0.000 0.907 524 L CB -0.843 41.191 42.059 -0.042 0.000 1.164 524 L HN 0.719 nan 8.230 nan 0.000 0.482 525 G N 4.129 112.901 108.800 -0.047 0.000 2.663 525 G HA2 -0.155 3.806 3.960 0.000 0.000 0.686 525 G HA3 -0.155 3.806 3.960 0.000 0.000 0.686 525 G C -2.004 172.849 174.900 -0.078 0.000 1.288 525 G CA -0.463 44.597 45.100 -0.065 0.000 0.836 525 G HN 0.484 nan 8.290 nan 0.000 0.584 526 P HA -0.008 nan 4.420 nan 0.000 0.218 526 P C 1.420 178.617 177.300 -0.172 0.000 1.148 526 P CA 1.460 64.477 63.100 -0.139 0.000 0.822 526 P CB 0.056 31.550 31.700 -0.342 0.000 0.784 527 K N -0.683 119.589 120.400 -0.213 0.000 2.446 527 K HA 0.256 4.576 4.320 0.000 0.000 0.203 527 K C 0.911 177.452 176.600 -0.098 0.000 1.027 527 K CA -0.207 55.981 56.287 -0.165 0.000 1.166 527 K CB -0.352 32.029 32.500 -0.198 0.000 0.869 527 K HN 0.032 nan 8.250 nan 0.000 0.504 528 G N 0.406 109.159 108.800 -0.078 0.000 2.569 528 G HA2 0.220 4.180 3.960 0.000 0.000 0.249 528 G HA3 0.220 4.180 3.960 0.000 0.000 0.249 528 G C -0.053 174.823 174.900 -0.040 0.000 1.216 528 G CA -0.456 44.612 45.100 -0.054 0.000 0.845 528 G HN -0.014 nan 8.290 nan 0.000 0.568 529 M N 0.202 119.782 119.600 -0.034 0.000 2.649 529 M HA 0.380 4.861 4.480 0.000 0.000 0.294 529 M C -0.633 175.654 176.300 -0.022 0.000 1.206 529 M CA -0.720 54.564 55.300 -0.027 0.000 0.928 529 M CB 1.446 34.030 32.600 -0.027 0.000 1.571 529 M HN 0.328 nan 8.290 nan 0.000 0.501 530 D N 0.634 121.023 120.400 -0.020 0.000 2.181 530 D HA 0.491 5.132 4.640 0.000 0.000 0.248 530 D C -0.653 175.636 176.300 -0.019 0.000 1.020 530 D CA -0.301 53.688 54.000 -0.018 0.000 0.891 530 D CB 1.214 42.004 40.800 -0.017 0.000 1.187 530 D HN 0.145 nan 8.370 nan 0.000 0.443 531 K N 0.468 120.857 120.400 -0.017 0.000 2.166 531 K HA 0.562 4.882 4.320 0.000 0.000 0.245 531 K C -0.471 176.118 176.600 -0.019 0.000 0.967 531 K CA -0.570 55.706 56.287 -0.017 0.000 0.863 531 K CB 1.833 34.325 32.500 -0.015 0.000 1.107 531 K HN 0.324 nan 8.250 nan 0.000 0.436 532 M N 3.474 123.062 119.600 -0.019 0.000 2.190 532 M HA 0.412 4.892 4.480 0.000 0.000 0.312 532 M C -1.722 174.570 176.300 -0.014 0.000 0.990 532 M CA -0.596 54.691 55.300 -0.020 0.000 0.927 532 M CB 0.640 33.224 32.600 -0.026 0.000 1.571 532 M HN 0.409 nan 8.290 nan 0.000 0.427 533 L N 6.081 127.298 121.223 -0.010 0.000 2.298 533 L HA 0.609 4.950 4.340 0.000 0.000 0.284 533 L C -1.069 175.800 176.870 -0.002 0.000 1.013 533 L CA -0.933 53.904 54.840 -0.005 0.000 0.824 533 L CB 1.724 43.782 42.059 -0.002 0.000 1.221 533 L HN 0.423 nan 8.230 nan 0.000 0.418 534 V N 2.155 122.068 119.914 -0.002 0.000 2.384 534 V HA 0.228 4.349 4.120 0.000 0.000 0.287 534 V C -0.189 175.907 176.094 0.003 0.000 1.020 534 V CA -0.817 61.484 62.300 0.000 0.000 0.850 534 V CB 1.684 33.506 31.823 -0.002 0.000 0.987 534 V HN 0.786 nan 8.190 nan 0.000 0.436 535 D N 2.382 122.785 120.400 0.005 0.000 2.440 535 D HA 0.102 4.742 4.640 0.000 0.000 0.269 535 D C 0.565 176.868 176.300 0.005 0.000 1.249 535 D CA -0.541 53.463 54.000 0.005 0.000 1.055 535 D CB 0.611 41.415 40.800 0.007 0.000 1.104 535 D HN 0.410 nan 8.370 nan 0.000 0.561 536 D N -1.340 119.063 120.400 0.005 0.000 2.310 536 D HA -0.015 4.625 4.640 0.000 0.000 0.212 536 D C 1.391 177.694 176.300 0.005 0.000 0.965 536 D CA 0.757 54.760 54.000 0.005 0.000 0.879 536 D CB -0.059 40.744 40.800 0.005 0.000 0.921 536 D HN 0.289 nan 8.370 nan 0.000 0.510 537 L N -1.475 119.752 121.223 0.006 0.000 2.554 537 L HA 0.291 4.631 4.340 0.000 0.000 0.225 537 L C 1.631 178.505 176.870 0.008 0.000 1.104 537 L CA 0.405 55.249 54.840 0.007 0.000 0.866 537 L CB 0.264 42.328 42.059 0.008 0.000 1.047 537 L HN 0.221 nan 8.230 nan 0.000 0.468 538 G N -0.258 108.546 108.800 0.008 0.000 2.195 538 G HA2 -0.250 3.711 3.960 0.000 0.000 0.224 538 G HA3 -0.250 3.711 3.960 0.000 0.000 0.224 538 G C 0.075 174.982 174.900 0.012 0.000 0.990 538 G CA -0.033 45.072 45.100 0.008 0.000 0.639 538 G HN 0.315 nan 8.290 nan 0.000 0.514 539 D N 1.010 121.418 120.400 0.014 0.000 2.458 539 D HA 0.377 5.017 4.640 0.000 0.000 0.243 539 D C 0.481 176.792 176.300 0.019 0.000 1.146 539 D CA 0.263 54.275 54.000 0.020 0.000 0.877 539 D CB 1.188 41.999 40.800 0.019 0.000 1.176 539 D HN 0.237 nan 8.370 nan 0.000 0.461 540 V N 4.731 124.660 119.914 0.026 0.000 2.370 540 V HA 0.289 4.409 4.120 0.000 0.000 0.283 540 V C 0.113 176.221 176.094 0.024 0.000 1.023 540 V CA -0.813 61.496 62.300 0.015 0.000 0.857 540 V CB 1.647 33.470 31.823 -0.000 0.000 0.985 540 V HN 0.340 nan 8.190 nan 0.000 0.443 541 V N 6.013 125.934 119.914 0.012 0.000 2.378 541 V HA 0.446 4.567 4.120 0.000 0.000 0.288 541 V C -0.211 175.883 176.094 -0.000 0.000 1.016 541 V CA -0.545 61.765 62.300 0.016 0.000 0.840 541 V CB 1.879 33.711 31.823 0.016 0.000 0.994 541 V HN 0.601 nan 8.190 nan 0.000 0.431 542 V N 4.516 124.428 119.914 -0.003 0.000 2.384 542 V HA 0.788 4.908 4.120 0.000 0.000 0.287 542 V C 0.091 176.184 176.094 -0.002 0.000 1.020 542 V CA 0.031 62.320 62.300 -0.019 0.000 0.850 542 V CB 1.611 33.401 31.823 -0.054 0.000 0.987 542 V HN 0.987 nan 8.190 nan 0.000 0.436 543 T N 2.984 117.536 114.554 -0.004 0.000 2.718 543 T HA 0.375 4.726 4.350 0.000 0.000 0.306 543 T C -0.280 174.418 174.700 -0.004 0.000 1.485 543 T CA -0.062 62.038 62.100 0.001 0.000 0.997 543 T CB 1.703 70.574 68.868 0.006 0.000 1.504 543 T HN 0.789 nan 8.240 nan 0.000 0.497 544 N N 0.215 118.914 118.700 -0.003 0.000 2.143 544 N HA 0.235 4.975 4.740 0.000 0.000 0.222 544 N C -0.626 174.881 175.510 -0.005 0.000 1.264 544 N CA -0.396 52.651 53.050 -0.006 0.000 0.897 544 N CB 0.342 38.824 38.487 -0.007 0.000 1.092 544 N HN 0.514 nan 8.380 nan 0.000 0.516 545 D N -0.433 119.966 120.400 -0.001 0.000 2.348 545 D HA 0.372 5.012 4.640 0.000 0.000 0.253 545 D C 1.466 177.764 176.300 -0.003 0.000 1.161 545 D CA -0.042 53.958 54.000 -0.001 0.000 0.876 545 D CB 1.138 41.940 40.800 0.003 0.000 1.160 545 D HN 0.234 nan 8.370 nan 0.000 0.459 546 G N 2.360 111.157 108.800 -0.004 0.000 2.418 546 G HA2 -0.211 3.750 3.960 0.000 0.000 0.217 546 G HA3 -0.211 3.750 3.960 0.000 0.000 0.217 546 G C 1.463 176.361 174.900 -0.003 0.000 1.158 546 G CA 0.609 45.706 45.100 -0.006 0.000 0.771 546 G HN 0.476 nan 8.290 nan 0.000 0.545 547 V N 0.846 120.759 119.914 -0.001 0.000 2.307 547 V HA -0.161 3.960 4.120 0.000 0.000 0.245 547 V C 3.172 179.267 176.094 0.002 0.000 1.045 547 V CA 2.354 64.655 62.300 0.001 0.000 1.024 547 V CB -0.868 30.956 31.823 0.003 0.000 0.651 547 V HN 0.385 nan 8.190 nan 0.000 0.449 548 T N 0.426 114.981 114.554 0.003 0.000 2.684 548 T HA -0.184 4.166 4.350 0.000 0.000 0.267 548 T C 1.815 176.516 174.700 0.003 0.000 1.036 548 T CA 1.983 64.086 62.100 0.004 0.000 1.148 548 T CB -0.324 68.547 68.868 0.006 0.000 0.863 548 T HN 0.330 nan 8.240 nan 0.000 0.436 549 I N 0.345 120.915 120.570 0.001 0.000 2.226 549 I HA -0.148 4.023 4.170 0.000 0.000 0.245 549 I C 2.079 178.195 176.117 -0.001 0.000 1.100 549 I CA 0.977 62.277 61.300 -0.001 0.000 1.374 549 I CB -0.279 37.718 38.000 -0.005 0.000 1.057 549 I HN 0.160 nan 8.210 nan 0.000 0.413 550 L N 0.133 121.356 121.223 -0.000 0.000 2.156 550 L HA -0.086 4.254 4.340 0.000 0.000 0.208 550 L C 2.468 179.340 176.870 0.004 0.000 1.095 550 L CA 1.470 56.311 54.840 0.001 0.000 0.770 550 L CB -0.973 41.087 42.059 0.001 0.000 0.914 550 L HN 0.157 nan 8.230 nan 0.000 0.439 551 R N -0.125 120.378 120.500 0.004 0.000 2.073 551 R HA -0.094 4.246 4.340 0.000 0.000 0.229 551 R C 1.857 178.160 176.300 0.005 0.000 1.120 551 R CA 1.148 57.251 56.100 0.005 0.000 0.967 551 R CB 0.105 30.408 30.300 0.005 0.000 0.862 551 R HN 0.312 nan 8.270 nan 0.000 0.436 552 E N 0.265 120.468 120.200 0.005 0.000 2.112 552 E HA -0.003 4.347 4.350 0.000 0.000 0.190 552 E C 0.801 177.404 176.600 0.005 0.000 0.979 552 E CA 0.457 56.860 56.400 0.005 0.000 0.814 552 E CB -0.055 29.648 29.700 0.005 0.000 0.762 552 E HN 0.324 nan 8.360 nan 0.000 0.460 553 M N 0.484 120.086 119.600 0.004 0.000 2.243 553 M HA 0.048 4.528 4.480 0.000 0.000 0.341 553 M C 0.442 176.745 176.300 0.006 0.000 1.130 553 M CA 0.109 55.411 55.300 0.003 0.000 1.162 553 M CB 1.000 33.601 32.600 0.001 0.000 1.497 553 M HN -0.235 nan 8.290 nan 0.000 0.456 554 S N 3.192 118.896 115.700 0.006 0.000 2.488 554 S HA 0.476 4.947 4.470 0.000 0.000 0.310 554 S C -0.528 174.078 174.600 0.011 0.000 1.093 554 S CA -0.965 57.240 58.200 0.009 0.000 1.129 554 S CB -0.060 63.145 63.200 0.008 0.000 0.989 554 S HN 0.509 nan 8.310 nan 0.000 0.479 555 V N 3.034 122.957 119.914 0.015 0.000 3.036 555 V HA 0.615 4.735 4.120 0.000 0.000 0.308 555 V C 0.721 176.831 176.094 0.028 0.000 1.070 555 V CA -0.164 62.149 62.300 0.023 0.000 1.056 555 V CB 1.145 32.984 31.823 0.027 0.000 1.084 555 V HN 0.839 nan 8.190 nan 0.000 0.471 556 E N -0.501 119.723 120.200 0.040 0.000 2.228 556 E HA 0.102 4.452 4.350 0.000 0.000 0.197 556 E C 0.405 177.029 176.600 0.041 0.000 0.909 556 E CA -0.092 56.328 56.400 0.034 0.000 0.911 556 E CB 0.080 29.798 29.700 0.030 0.000 0.887 556 E HN 0.824 nan 8.360 nan 0.000 0.481 557 H N 1.909 120.966 119.070 -0.023 0.000 2.764 557 H HA 0.031 4.587 4.556 0.000 0.000 0.341 557 H C -1.875 173.439 175.328 -0.024 0.000 1.072 557 H CA -1.515 54.513 56.048 -0.034 0.000 1.444 557 H CB 1.390 31.120 29.762 -0.054 0.000 1.458 557 H HN -0.121 nan 8.280 nan 0.000 0.572 558 P HA -0.135 nan 4.420 nan 0.000 0.216 558 P C 1.087 178.492 177.300 0.174 0.000 1.150 558 P CA 2.040 65.162 63.100 0.038 0.000 0.837 558 P CB 0.102 31.762 31.700 -0.067 0.000 0.786 559 A N -0.024 123.058 122.820 0.436 0.000 1.902 559 A HA -0.104 4.216 4.320 0.000 0.000 0.217 559 A C 2.319 179.948 177.584 0.075 0.000 1.181 559 A CA 2.047 54.197 52.037 0.188 0.000 0.623 559 A CB -1.555 17.462 19.000 0.029 0.000 0.818 559 A HN 0.198 nan 8.150 nan 0.000 0.443 560 A N -0.264 122.601 122.820 0.075 0.000 1.930 560 A HA -0.153 4.167 4.320 0.000 0.000 0.217 560 A C 2.121 179.727 177.584 0.037 0.000 1.175 560 A CA 1.946 54.000 52.037 0.028 0.000 0.627 560 A CB -0.439 18.574 19.000 0.023 0.000 0.815 560 A HN 0.555 nan 8.150 nan 0.000 0.443 561 K N -0.834 119.600 120.400 0.056 0.000 2.097 561 K HA -0.092 4.228 4.320 0.000 0.000 0.206 561 K C 1.996 178.615 176.600 0.032 0.000 1.049 561 K CA 1.618 57.927 56.287 0.037 0.000 0.933 561 K CB -0.233 32.287 32.500 0.034 0.000 0.717 561 K HN 0.520 nan 8.250 nan 0.000 0.442 562 M N 0.133 119.757 119.600 0.039 0.000 2.200 562 M HA -0.133 4.347 4.480 0.000 0.000 0.265 562 M C 1.844 178.158 176.300 0.023 0.000 1.066 562 M CA 0.934 56.252 55.300 0.031 0.000 1.127 562 M CB -0.084 32.539 32.600 0.038 0.000 1.379 562 M HN 0.095 nan 8.290 nan 0.000 0.420 563 L N 0.311 121.546 121.223 0.019 0.000 2.131 563 L HA -0.129 4.211 4.340 0.000 0.000 0.210 563 L C 2.152 179.027 176.870 0.008 0.000 1.092 563 L CA 1.667 56.513 54.840 0.010 0.000 0.759 563 L CB -0.655 41.404 42.059 0.001 0.000 0.903 563 L HN 0.260 nan 8.230 nan 0.000 0.435 564 I N -0.903 119.673 120.570 0.010 0.000 2.226 564 I HA -0.295 3.875 4.170 0.000 0.000 0.245 564 I C 2.270 178.392 176.117 0.009 0.000 1.100 564 I CA 1.255 62.560 61.300 0.009 0.000 1.374 564 I CB -0.251 37.755 38.000 0.011 0.000 1.057 564 I HN 0.317 nan 8.210 nan 0.000 0.413 565 E N 0.161 120.368 120.200 0.012 0.000 2.106 565 E HA -0.145 4.205 4.350 0.000 0.000 0.192 565 E C 2.317 178.924 176.600 0.011 0.000 0.984 565 E CA 1.006 57.413 56.400 0.012 0.000 0.806 565 E CB 0.031 29.739 29.700 0.014 0.000 0.750 565 E HN 0.279 nan 8.360 nan 0.000 0.458 566 V N 1.354 121.276 119.914 0.012 0.000 2.358 566 V HA -0.260 3.860 4.120 0.000 0.000 0.246 566 V C 2.319 178.419 176.094 0.009 0.000 1.047 566 V CA 1.833 64.141 62.300 0.012 0.000 1.035 566 V CB -0.642 31.189 31.823 0.014 0.000 0.658 566 V HN 0.319 nan 8.190 nan 0.000 0.452 567 A N -0.320 122.504 122.820 0.007 0.000 1.933 567 A HA -0.241 4.080 4.320 0.000 0.000 0.218 567 A C 2.280 179.867 177.584 0.005 0.000 1.175 567 A CA 1.943 53.982 52.037 0.004 0.000 0.628 567 A CB -0.411 18.590 19.000 0.002 0.000 0.814 567 A HN 0.555 nan 8.150 nan 0.000 0.444 568 K N -0.958 119.445 120.400 0.006 0.000 2.097 568 K HA -0.074 4.246 4.320 0.000 0.000 0.205 568 K C 2.031 178.635 176.600 0.006 0.000 1.050 568 K CA 1.665 57.956 56.287 0.006 0.000 0.938 568 K CB -0.309 32.195 32.500 0.007 0.000 0.718 568 K HN 0.457 nan 8.250 nan 0.000 0.442 569 T N 0.947 115.506 114.554 0.008 0.000 2.821 569 T HA -0.170 4.180 4.350 0.000 0.000 0.267 569 T C 1.819 176.524 174.700 0.008 0.000 1.046 569 T CA 1.285 63.390 62.100 0.008 0.000 1.139 569 T CB -0.127 68.747 68.868 0.010 0.000 0.871 569 T HN 0.169 nan 8.240 nan 0.000 0.454 570 Q N 1.231 121.036 119.800 0.007 0.000 2.124 570 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 570 Q C 2.112 178.115 176.000 0.006 0.000 0.977 570 Q CA 1.710 57.517 55.803 0.007 0.000 0.850 570 Q CB -0.271 28.470 28.738 0.005 0.000 0.901 570 Q HN 0.463 nan 8.270 nan 0.000 0.429 571 E N 0.117 120.320 120.200 0.005 0.000 2.072 571 E HA -0.133 4.217 4.350 0.000 0.000 0.191 571 E C 1.567 178.170 176.600 0.005 0.000 0.985 571 E CA 1.523 57.926 56.400 0.005 0.000 0.801 571 E CB -0.016 29.687 29.700 0.004 0.000 0.750 571 E HN 0.362 nan 8.360 nan 0.000 0.452 572 K N -0.070 120.333 120.400 0.005 0.000 2.097 572 K HA -0.107 4.214 4.320 0.000 0.000 0.205 572 K C 2.070 178.672 176.600 0.005 0.000 1.050 572 K CA 1.345 57.635 56.287 0.005 0.000 0.938 572 K CB 0.019 32.522 32.500 0.005 0.000 0.718 572 K HN 0.107 nan 8.250 nan 0.000 0.442 573 E N -0.000 120.203 120.200 0.006 0.000 2.030 573 E HA -0.053 4.297 4.350 0.000 0.000 0.189 573 E C 2.129 178.733 176.600 0.007 0.000 0.974 573 E CA 1.028 57.432 56.400 0.007 0.000 0.807 573 E CB 0.061 29.765 29.700 0.008 0.000 0.771 573 E HN 0.031 nan 8.360 nan 0.000 0.451 574 V N -1.082 118.836 119.914 0.007 0.000 3.048 574 V HA 0.237 4.357 4.120 0.000 0.000 0.241 574 V C 1.630 177.728 176.094 0.006 0.000 1.129 574 V CA 1.032 63.336 62.300 0.007 0.000 1.128 574 V CB 0.494 32.321 31.823 0.007 0.000 0.849 574 V HN 0.474 nan 8.190 nan 0.000 0.475 575 G N 0.172 108.976 108.800 0.006 0.000 4.165 575 G HA2 -0.248 3.712 3.960 0.000 0.000 0.211 575 G HA3 -0.248 3.712 3.960 0.000 0.000 0.211 575 G C 0.222 175.125 174.900 0.005 0.000 1.469 575 G CA 0.332 45.436 45.100 0.006 0.000 0.964 575 G HN 0.438 nan 8.290 nan 0.000 0.613 576 D N 1.095 121.499 120.400 0.006 0.000 2.506 576 D HA 0.492 5.132 4.640 0.000 0.000 0.272 576 D C 1.505 177.807 176.300 0.003 0.000 1.214 576 D CA 1.181 55.184 54.000 0.005 0.000 1.067 576 D CB 0.708 41.513 40.800 0.008 0.000 1.117 576 D HN 1.630 nan 8.370 nan 0.000 0.578 577 G N -0.522 108.278 108.800 0.001 0.000 2.143 577 G HA2 -0.317 3.643 3.960 0.000 0.000 0.249 577 G HA3 -0.317 3.643 3.960 0.000 0.000 0.249 577 G C 1.033 175.930 174.900 -0.006 0.000 0.981 577 G CA 1.487 46.585 45.100 -0.003 0.000 0.665 577 G HN 0.603 nan 8.290 nan 0.000 0.528 578 T N -2.435 112.116 114.554 -0.005 0.000 2.612 578 T HA -0.085 4.265 4.350 0.000 0.000 0.259 578 T C 2.203 176.897 174.700 -0.011 0.000 1.065 578 T CA 2.492 64.589 62.100 -0.006 0.000 1.167 578 T CB -0.907 67.959 68.868 -0.003 0.000 0.863 578 T HN 0.291 nan 8.240 nan 0.000 0.407 579 T N 1.922 116.468 114.554 -0.013 0.000 2.720 579 T HA -0.124 4.226 4.350 0.000 0.000 0.268 579 T C 2.233 176.918 174.700 -0.025 0.000 1.037 579 T CA 1.941 64.030 62.100 -0.019 0.000 1.144 579 T CB -1.109 67.747 68.868 -0.020 0.000 0.864 579 T HN 0.556 nan 8.240 nan 0.000 0.444 580 T N 2.022 116.561 114.554 -0.025 0.000 2.652 580 T HA -0.098 4.252 4.350 0.000 0.000 0.267 580 T C 2.398 177.075 174.700 -0.037 0.000 1.039 580 T CA 1.354 63.434 62.100 -0.033 0.000 1.153 580 T CB -0.632 68.219 68.868 -0.028 0.000 0.863 580 T HN 0.462 nan 8.240 nan 0.000 0.428 581 A N 0.770 123.574 122.820 -0.027 0.000 1.933 581 A HA -0.032 4.288 4.320 0.000 0.000 0.218 581 A C 2.587 180.155 177.584 -0.028 0.000 1.175 581 A CA 1.283 53.305 52.037 -0.025 0.000 0.628 581 A CB -0.930 18.063 19.000 -0.012 0.000 0.814 581 A HN 0.366 nan 8.150 nan 0.000 0.444 582 V N -0.529 119.370 119.914 -0.025 0.000 2.358 582 V HA -0.202 3.918 4.120 0.000 0.000 0.246 582 V C 2.549 178.622 176.094 -0.036 0.000 1.047 582 V CA 1.885 64.170 62.300 -0.025 0.000 1.035 582 V CB -0.650 31.160 31.823 -0.022 0.000 0.658 582 V HN 0.370 nan 8.190 nan 0.000 0.452 583 V N -0.339 119.549 119.914 -0.042 0.000 2.358 583 V HA -0.200 3.921 4.120 0.000 0.000 0.246 583 V C 2.420 178.473 176.094 -0.068 0.000 1.047 583 V CA 1.784 64.053 62.300 -0.052 0.000 1.035 583 V CB -0.296 31.496 31.823 -0.052 0.000 0.658 583 V HN 0.402 nan 8.190 nan 0.000 0.452 584 V N 0.360 120.227 119.914 -0.078 0.000 2.295 584 V HA -0.255 3.865 4.120 0.000 0.000 0.246 584 V C 2.704 178.733 176.094 -0.107 0.000 1.049 584 V CA 2.062 64.292 62.300 -0.116 0.000 1.024 584 V CB -1.112 30.637 31.823 -0.124 0.000 0.648 584 V HN 0.561 nan 8.190 nan 0.000 0.447 585 A N 0.410 123.192 122.820 -0.064 0.000 1.933 585 A HA -0.071 4.249 4.320 0.000 0.000 0.218 585 A C 2.397 179.965 177.584 -0.026 0.000 1.175 585 A CA 1.870 53.887 52.037 -0.033 0.000 0.628 585 A CB -1.127 17.866 19.000 -0.011 0.000 0.814 585 A HN 0.531 nan 8.150 nan 0.000 0.444 586 G N -0.471 108.306 108.800 -0.037 0.000 2.421 586 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 586 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 586 G C 1.468 176.348 174.900 -0.034 0.000 1.171 586 G CA 1.264 46.343 45.100 -0.034 0.000 0.775 586 G HN 0.570 nan 8.290 nan 0.000 0.543 587 E N -0.267 119.900 120.200 -0.055 0.000 2.150 587 E HA -0.013 4.337 4.350 0.000 0.000 0.193 587 E C 2.343 178.912 176.600 -0.053 0.000 0.985 587 E CA 0.297 56.660 56.400 -0.062 0.000 0.814 587 E CB -0.257 29.386 29.700 -0.096 0.000 0.752 587 E HN 0.243 nan 8.360 nan 0.000 0.466 588 L N 0.142 121.325 121.223 -0.066 0.000 2.046 588 L HA -0.119 4.222 4.340 0.000 0.000 0.208 588 L C 2.177 179.119 176.870 0.119 0.000 1.077 588 L CA 1.531 56.353 54.840 -0.031 0.000 0.747 588 L CB -0.649 41.375 42.059 -0.058 0.000 0.896 588 L HN 0.279 nan 8.230 nan 0.000 0.432 589 L N -1.627 119.642 121.223 0.077 0.000 2.156 589 L HA -0.159 4.181 4.340 0.000 0.000 0.208 589 L C 2.657 179.559 176.870 0.053 0.000 1.095 589 L CA 0.603 55.490 54.840 0.078 0.000 0.770 589 L CB -0.362 41.718 42.059 0.035 0.000 0.914 589 L HN 0.198 nan 8.230 nan 0.000 0.439 590 R N 0.839 121.356 120.500 0.028 0.000 2.073 590 R HA -0.171 4.169 4.340 0.000 0.000 0.234 590 R C 2.161 178.483 176.300 0.036 0.000 1.134 590 R CA 1.572 57.682 56.100 0.017 0.000 0.952 590 R CB -0.112 30.186 30.300 -0.004 0.000 0.850 590 R HN -0.020 nan 8.270 nan 0.000 0.433 591 K N -0.144 120.290 120.400 0.057 0.000 2.057 591 K HA 0.083 4.403 4.320 0.000 0.000 0.206 591 K C 1.865 178.540 176.600 0.124 0.000 1.050 591 K CA 1.591 57.930 56.287 0.088 0.000 0.935 591 K CB -0.441 32.121 32.500 0.104 0.000 0.715 591 K HN 0.299 nan 8.250 nan 0.000 0.439 592 A N 0.527 123.450 122.820 0.172 0.000 1.933 592 A HA -0.203 4.117 4.320 0.000 0.000 0.218 592 A C 2.091 179.700 177.584 0.042 0.000 1.175 592 A CA 1.801 53.910 52.037 0.119 0.000 0.628 592 A CB -0.477 18.614 19.000 0.152 0.000 0.814 592 A HN 0.452 nan 8.150 nan 0.000 0.444 593 E N -0.335 119.889 120.200 0.041 0.000 2.153 593 E HA -0.198 4.152 4.350 0.000 0.000 0.194 593 E C 1.648 178.256 176.600 0.013 0.000 0.988 593 E CA 1.056 57.466 56.400 0.017 0.000 0.811 593 E CB -0.016 29.691 29.700 0.013 0.000 0.746 593 E HN 0.527 nan 8.360 nan 0.000 0.466 594 E N 0.253 120.467 120.200 0.022 0.000 2.153 594 E HA -0.160 4.190 4.350 0.000 0.000 0.194 594 E C 1.986 178.595 176.600 0.014 0.000 0.988 594 E CA 0.516 56.927 56.400 0.019 0.000 0.811 594 E CB 0.024 29.739 29.700 0.026 0.000 0.746 594 E HN 0.327 nan 8.360 nan 0.000 0.466 595 L N -0.027 121.204 121.223 0.014 0.000 2.095 595 L HA -0.076 4.265 4.340 0.000 0.000 0.204 595 L C 2.292 179.156 176.870 -0.011 0.000 1.080 595 L CA 0.751 55.592 54.840 0.003 0.000 0.759 595 L CB -0.940 41.115 42.059 -0.006 0.000 0.914 595 L HN 0.166 nan 8.230 nan 0.000 0.439 596 L N -0.038 121.174 121.223 -0.018 0.000 2.093 596 L HA -0.190 4.151 4.340 0.000 0.000 0.208 596 L C 2.214 179.073 176.870 -0.019 0.000 1.085 596 L CA 1.565 56.388 54.840 -0.029 0.000 0.755 596 L CB -0.872 41.169 42.059 -0.031 0.000 0.904 596 L HN 0.242 nan 8.230 nan 0.000 0.435 597 D N -1.185 119.211 120.400 -0.008 0.000 2.178 597 D HA -0.234 4.406 4.640 0.000 0.000 0.202 597 D C 2.141 178.440 176.300 -0.001 0.000 0.974 597 D CA 0.689 54.687 54.000 -0.003 0.000 0.841 597 D CB 0.097 40.898 40.800 0.002 0.000 0.953 597 D HN 0.342 nan 8.370 nan 0.000 0.478 598 Q N -0.168 119.632 119.800 0.000 0.000 2.482 598 Q HA -0.029 4.311 4.340 0.000 0.000 0.209 598 Q C -0.294 175.708 176.000 0.002 0.000 0.961 598 Q CA 0.410 56.215 55.803 0.003 0.000 0.945 598 Q CB 0.072 28.815 28.738 0.007 0.000 1.012 598 Q HN 0.209 nan 8.270 nan 0.000 0.515 599 N N -0.530 118.167 118.700 -0.005 0.000 2.815 599 N HA -0.137 4.603 4.740 0.000 0.000 0.248 599 N C -1.436 174.075 175.510 0.001 0.000 1.110 599 N CA 0.725 53.771 53.050 -0.007 0.000 0.699 599 N CB -1.690 36.797 38.487 -0.000 0.000 1.040 599 N HN 0.033 nan 8.380 nan 0.000 0.555 600 V N 1.571 121.484 119.914 -0.002 0.000 2.432 600 V HA 0.101 4.221 4.120 0.000 0.000 0.275 600 V C 1.097 177.198 176.094 0.012 0.000 1.043 600 V CA -0.654 61.655 62.300 0.016 0.000 0.925 600 V CB 1.410 33.239 31.823 0.009 0.000 0.985 600 V HN 0.288 nan 8.190 nan 0.000 0.466 601 H N 7.985 127.041 119.070 -0.024 0.000 3.094 601 H HA 0.016 4.573 4.556 0.001 0.000 0.320 601 H C -1.698 173.606 175.328 -0.041 0.000 1.000 601 H CA -1.092 54.940 56.048 -0.026 0.000 1.413 601 H CB 1.526 31.275 29.762 -0.022 0.000 1.405 601 H HN 0.396 nan 8.280 nan 0.000 0.586 602 P HA -0.169 nan 4.420 nan 0.000 0.217 602 P C 1.531 178.867 177.300 0.061 0.000 1.148 602 P CA 1.708 64.762 63.100 -0.077 0.000 0.834 602 P CB 0.089 31.701 31.700 -0.146 0.000 0.783 603 T N -1.806 112.940 114.554 0.320 0.000 2.915 603 T HA -0.064 4.287 4.350 0.000 0.000 0.269 603 T C 1.585 176.308 174.700 0.038 0.000 1.071 603 T CA 0.760 62.951 62.100 0.152 0.000 1.132 603 T CB -0.728 68.191 68.868 0.086 0.000 0.878 603 T HN -0.027 nan 8.240 nan 0.000 0.479 604 I N 0.215 120.814 120.570 0.048 0.000 2.286 604 I HA -0.091 4.079 4.170 0.000 0.000 0.245 604 I C 2.413 178.481 176.117 -0.082 0.000 1.104 604 I CA 0.731 62.024 61.300 -0.012 0.000 1.397 604 I CB -0.233 37.772 38.000 0.009 0.000 1.072 604 I HN 0.104 nan 8.210 nan 0.000 0.417 605 V N 0.402 120.233 119.914 -0.138 0.000 2.343 605 V HA -0.223 3.897 4.120 0.000 0.000 0.247 605 V C 2.423 178.217 176.094 -0.501 0.000 1.051 605 V CA 1.496 63.582 62.300 -0.357 0.000 1.036 605 V CB -0.370 31.242 31.823 -0.352 0.000 0.654 605 V HN 0.220 nan 8.190 nan 0.000 0.451 606 V N -0.067 119.694 119.914 -0.254 0.000 2.270 606 V HA -0.283 3.837 4.120 0.000 0.000 0.245 606 V C 2.425 178.479 176.094 -0.066 0.000 1.043 606 V CA 2.416 64.632 62.300 -0.139 0.000 1.014 606 V CB -0.652 31.142 31.823 -0.048 0.000 0.645 606 V HN 0.545 nan 8.190 nan 0.000 0.447 607 K N 0.194 120.561 120.400 -0.055 0.000 2.057 607 K HA -0.155 4.165 4.320 0.000 0.000 0.207 607 K C 2.158 178.746 176.600 -0.020 0.000 1.049 607 K CA 1.666 57.936 56.287 -0.029 0.000 0.931 607 K CB -0.628 31.856 32.500 -0.027 0.000 0.714 607 K HN 0.492 nan 8.250 nan 0.000 0.440 608 G N -0.016 108.766 108.800 -0.029 0.000 2.440 608 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 608 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 608 G C 1.140 176.103 174.900 0.105 0.000 1.154 608 G CA 0.693 45.811 45.100 0.030 0.000 0.767 608 G HN 0.270 nan 8.290 nan 0.000 0.552 609 Y N 0.815 121.040 120.300 -0.124 0.000 2.314 609 Y HA 0.019 4.569 4.550 0.000 0.000 0.293 609 Y C 2.995 178.713 175.900 -0.304 0.000 1.129 609 Y CA 0.592 58.533 58.100 -0.265 0.000 1.201 609 Y CB -0.670 37.750 38.460 -0.066 0.000 0.999 609 Y HN 0.334 nan 8.280 nan 0.000 0.541 610 Q N -0.562 119.243 119.800 0.007 0.000 2.046 610 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 610 Q C 2.563 178.514 176.000 -0.081 0.000 0.975 610 Q CA 1.385 57.167 55.803 -0.034 0.000 0.836 610 Q CB -0.242 28.490 28.738 -0.010 0.000 0.896 610 Q HN 0.417 nan 8.270 nan 0.000 0.428 611 A N 1.086 123.861 122.820 -0.074 0.000 1.873 611 A HA -0.102 4.218 4.320 0.000 0.000 0.215 611 A C 2.285 179.805 177.584 -0.106 0.000 1.186 611 A CA 1.608 53.604 52.037 -0.068 0.000 0.616 611 A CB -0.840 18.138 19.000 -0.036 0.000 0.823 611 A HN 0.390 nan 8.150 nan 0.000 0.442 612 A N -0.221 122.473 122.820 -0.210 0.000 1.898 612 A HA 0.196 4.517 4.320 0.000 0.000 0.216 612 A C 2.491 179.827 177.584 -0.414 0.000 1.181 612 A CA 2.024 53.870 52.037 -0.317 0.000 0.620 612 A CB -0.978 17.677 19.000 -0.575 0.000 0.819 612 A HN 1.036 nan 8.150 nan 0.000 0.442 613 A N -0.968 121.498 122.820 -0.591 0.000 1.933 613 A HA -0.171 4.149 4.320 0.000 0.000 0.218 613 A C 2.145 179.684 177.584 -0.074 0.000 1.175 613 A CA 2.063 53.933 52.037 -0.278 0.000 0.628 613 A CB -0.477 18.396 19.000 -0.212 0.000 0.814 613 A HN 0.527 nan 8.150 nan 0.000 0.444 614 Q N 0.022 119.778 119.800 -0.074 0.000 2.119 614 Q HA -0.121 4.220 4.340 0.000 0.000 0.201 614 Q C 1.839 177.847 176.000 0.012 0.000 0.972 614 Q CA 1.801 57.591 55.803 -0.022 0.000 0.847 614 Q CB -0.110 28.610 28.738 -0.029 0.000 0.903 614 Q HN 0.486 nan 8.270 nan 0.000 0.433 615 K N -0.409 120.008 120.400 0.029 0.000 2.167 615 K HA 0.092 4.413 4.320 0.000 0.000 0.203 615 K C 1.909 178.603 176.600 0.156 0.000 1.052 615 K CA 0.935 57.292 56.287 0.117 0.000 0.956 615 K CB -0.290 32.338 32.500 0.212 0.000 0.735 615 K HN 0.278 nan 8.250 nan 0.000 0.451 616 A N 1.588 124.479 122.820 0.119 0.000 1.898 616 A HA -0.182 4.138 4.320 0.000 0.000 0.216 616 A C 2.144 179.786 177.584 0.096 0.000 1.181 616 A CA 1.263 53.379 52.037 0.131 0.000 0.620 616 A CB -0.364 18.758 19.000 0.203 0.000 0.819 616 A HN 0.335 nan 8.150 nan 0.000 0.442 617 Q N -1.001 118.845 119.800 0.076 0.000 2.119 617 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 617 Q C 2.079 178.112 176.000 0.054 0.000 0.972 617 Q CA 1.374 57.211 55.803 0.057 0.000 0.847 617 Q CB -0.105 28.659 28.738 0.043 0.000 0.903 617 Q HN 0.855 nan 8.270 nan 0.000 0.433 618 E N 0.860 121.097 120.200 0.062 0.000 2.072 618 E HA -0.176 4.174 4.350 0.000 0.000 0.191 618 E C 1.915 178.562 176.600 0.077 0.000 0.985 618 E CA 0.613 57.050 56.400 0.062 0.000 0.801 618 E CB 0.040 29.777 29.700 0.062 0.000 0.750 618 E HN 0.304 nan 8.360 nan 0.000 0.452 619 L N 0.335 121.618 121.223 0.101 0.000 2.083 619 L HA -0.188 4.152 4.340 0.000 0.000 0.209 619 L C 2.388 179.295 176.870 0.061 0.000 1.083 619 L CA 0.311 55.205 54.840 0.090 0.000 0.752 619 L CB -0.262 41.849 42.059 0.086 0.000 0.899 619 L HN 0.242 nan 8.230 nan 0.000 0.433 620 L N -0.117 121.140 121.223 0.056 0.000 2.083 620 L HA -0.191 4.149 4.340 0.000 0.000 0.209 620 L C 2.453 179.345 176.870 0.037 0.000 1.083 620 L CA 1.704 56.570 54.840 0.043 0.000 0.752 620 L CB -0.731 41.352 42.059 0.041 0.000 0.899 620 L HN 0.159 nan 8.230 nan 0.000 0.433 621 K N -1.498 118.925 120.400 0.038 0.000 2.148 621 K HA -0.083 4.237 4.320 0.000 0.000 0.204 621 K C 1.918 178.537 176.600 0.032 0.000 1.050 621 K CA 1.463 57.769 56.287 0.032 0.000 0.942 621 K CB -0.191 32.327 32.500 0.030 0.000 0.724 621 K HN 0.307 nan 8.250 nan 0.000 0.446 622 T N 1.978 116.556 114.554 0.039 0.000 2.777 622 T HA -0.076 4.275 4.350 0.000 0.000 0.266 622 T C 1.872 176.592 174.700 0.032 0.000 1.040 622 T CA 1.267 63.390 62.100 0.039 0.000 1.141 622 T CB -0.138 68.761 68.868 0.052 0.000 0.868 622 T HN 0.383 nan 8.240 nan 0.000 0.444 623 I N -0.305 120.286 120.570 0.034 0.000 3.419 623 I HA 0.438 4.608 4.170 0.000 0.000 0.286 623 I C 1.075 177.207 176.117 0.024 0.000 1.268 623 I CA -0.526 60.792 61.300 0.029 0.000 1.414 623 I CB -0.474 37.548 38.000 0.036 0.000 1.074 623 I HN -0.052 nan 8.210 nan 0.000 0.457 624 A N 1.551 124.385 122.820 0.024 0.000 2.546 624 A HA 0.135 4.455 4.320 0.000 0.000 0.243 624 A C 0.099 177.693 177.584 0.016 0.000 1.063 624 A CA -0.022 52.027 52.037 0.020 0.000 0.757 624 A CB -0.229 18.783 19.000 0.020 0.000 0.991 624 A HN 0.638 nan 8.150 nan 0.000 0.503 625 C N 3.411 122.720 119.300 0.014 0.000 2.273 625 C HA 0.569 5.029 4.460 0.000 0.000 0.328 625 C C 0.329 175.325 174.990 0.010 0.000 1.275 625 C CA -0.616 58.409 59.018 0.011 0.000 1.704 625 C CB -0.094 27.652 27.740 0.010 0.000 2.326 625 C HN 0.943 nan 8.230 nan 0.000 0.517 626 E N 3.611 123.816 120.200 0.009 0.000 2.324 626 E HA 0.454 4.805 4.350 0.000 0.000 0.271 626 E C -0.181 176.423 176.600 0.006 0.000 1.028 626 E CA 0.070 56.474 56.400 0.007 0.000 0.890 626 E CB 0.767 30.471 29.700 0.007 0.000 1.004 626 E HN 0.719 nan 8.360 nan 0.000 0.431 627 V N 1.529 121.447 119.914 0.006 0.000 3.040 627 V HA 0.857 4.977 4.120 0.000 0.000 0.312 627 V C 0.501 176.597 176.094 0.004 0.000 1.115 627 V CA -0.752 61.550 62.300 0.005 0.000 0.998 627 V CB 1.674 33.500 31.823 0.005 0.000 1.042 627 V HN 0.681 nan 8.190 nan 0.000 0.433 628 G N 0.571 109.373 108.800 0.004 0.000 2.365 628 G HA2 0.478 4.439 3.960 0.000 0.000 0.249 628 G HA3 0.478 4.439 3.960 0.000 0.000 0.249 628 G C 0.968 175.870 174.900 0.004 0.000 1.288 628 G CA 0.112 45.214 45.100 0.003 0.000 0.887 628 G HN 1.666 nan 8.290 nan 0.000 0.524 629 A N 2.196 125.018 122.820 0.004 0.000 1.972 629 A HA -0.043 4.277 4.320 0.000 0.000 0.219 629 A C 1.912 179.498 177.584 0.004 0.000 1.169 629 A CA 1.205 53.244 52.037 0.004 0.000 0.635 629 A CB 0.022 19.024 19.000 0.004 0.000 0.810 629 A HN 0.519 nan 8.150 nan 0.000 0.446 630 Q N -0.108 119.694 119.800 0.003 0.000 2.165 630 Q HA 0.102 4.443 4.340 0.000 0.000 0.245 630 Q C -0.986 175.016 176.000 0.003 0.000 0.841 630 Q CA -0.162 55.643 55.803 0.003 0.000 1.078 630 Q CB 0.147 28.887 28.738 0.003 0.000 1.169 630 Q HN 0.716 nan 8.270 nan 0.000 0.475 631 D N 0.872 121.273 120.400 0.003 0.000 2.346 631 D HA -0.012 4.628 4.640 0.000 0.000 0.260 631 D C 1.283 177.584 176.300 0.001 0.000 1.252 631 D CA 0.116 54.117 54.000 0.002 0.000 0.895 631 D CB 0.911 41.712 40.800 0.002 0.000 1.097 631 D HN -0.211 nan 8.370 nan 0.000 0.489 632 K N 3.580 123.981 120.400 0.001 0.000 2.077 632 K HA -0.292 4.028 4.320 0.000 0.000 0.213 632 K C 1.558 178.157 176.600 -0.001 0.000 1.051 632 K CA 2.092 58.379 56.287 0.001 0.000 0.929 632 K CB -0.131 32.370 32.500 0.000 0.000 0.715 632 K HN 0.662 nan 8.250 nan 0.000 0.451 633 E N -0.471 119.728 120.200 -0.001 0.000 2.023 633 E HA -0.219 4.132 4.350 0.000 0.000 0.196 633 E C 1.980 178.578 176.600 -0.003 0.000 1.003 633 E CA 1.675 58.073 56.400 -0.003 0.000 0.809 633 E CB -0.268 29.430 29.700 -0.003 0.000 0.755 633 E HN 0.346 nan 8.360 nan 0.000 0.449 634 I N 0.596 121.166 120.570 -0.001 0.000 2.614 634 I HA -0.186 3.984 4.170 0.000 0.000 0.258 634 I C 1.892 178.010 176.117 0.001 0.000 1.189 634 I CA 0.641 61.941 61.300 -0.000 0.000 1.462 634 I CB -0.056 37.945 38.000 0.002 0.000 1.092 634 I HN 0.204 nan 8.210 nan 0.000 0.442 635 L N 0.057 121.281 121.223 0.001 0.000 2.093 635 L HA -0.158 4.182 4.340 0.000 0.000 0.208 635 L C 2.665 179.535 176.870 0.001 0.000 1.085 635 L CA 2.357 57.198 54.840 0.002 0.000 0.755 635 L CB -1.541 40.519 42.059 0.002 0.000 0.904 635 L HN 0.480 nan 8.230 nan 0.000 0.435 636 T N -4.844 109.709 114.554 -0.002 0.000 3.014 636 T HA -0.075 4.275 4.350 0.000 0.000 0.263 636 T C 1.901 176.597 174.700 -0.006 0.000 1.078 636 T CA 0.498 62.596 62.100 -0.004 0.000 1.135 636 T CB -0.083 68.782 68.868 -0.006 0.000 0.895 636 T HN 0.184 nan 8.240 nan 0.000 0.480 637 K N 0.509 120.906 120.400 -0.006 0.000 2.103 637 K HA 0.128 4.449 4.320 0.000 0.000 0.204 637 K C 2.117 178.715 176.600 -0.003 0.000 1.052 637 K CA 0.822 57.105 56.287 -0.008 0.000 0.945 637 K CB -0.131 32.365 32.500 -0.006 0.000 0.722 637 K HN 0.258 nan 8.250 nan 0.000 0.443 638 I N 1.241 121.811 120.570 0.001 0.000 2.202 638 I HA -0.192 3.978 4.170 0.000 0.000 0.242 638 I C 2.496 178.617 176.117 0.007 0.000 1.091 638 I CA 1.148 62.452 61.300 0.006 0.000 1.368 638 I CB -1.316 36.688 38.000 0.007 0.000 1.058 638 I HN 0.085 nan 8.210 nan 0.000 0.410 639 A N 0.954 123.776 122.820 0.004 0.000 1.851 639 A HA -0.234 4.086 4.320 0.000 0.000 0.216 639 A C 2.408 179.995 177.584 0.004 0.000 1.195 639 A CA 1.925 53.965 52.037 0.004 0.000 0.622 639 A CB -0.675 18.327 19.000 0.002 0.000 0.831 639 A HN 0.333 nan 8.150 nan 0.000 0.444 640 M N -0.971 118.628 119.600 -0.002 0.000 2.132 640 M HA -0.124 4.357 4.480 0.000 0.000 0.263 640 M C 2.276 178.573 176.300 -0.004 0.000 1.065 640 M CA 1.917 57.212 55.300 -0.008 0.000 1.122 640 M CB -0.741 31.846 32.600 -0.021 0.000 1.365 640 M HN 0.474 nan 8.290 nan 0.000 0.411 641 T N -0.140 114.413 114.554 -0.000 0.000 2.720 641 T HA -0.160 4.190 4.350 0.000 0.000 0.268 641 T C 1.956 176.678 174.700 0.038 0.000 1.037 641 T CA 1.916 64.026 62.100 0.016 0.000 1.144 641 T CB -0.317 68.562 68.868 0.019 0.000 0.864 641 T HN 0.395 nan 8.240 nan 0.000 0.444 642 S N 0.517 116.234 115.700 0.028 0.000 2.368 642 S HA -0.038 4.432 4.470 0.000 0.000 0.225 642 S C 2.035 176.656 174.600 0.035 0.000 1.030 642 S CA 0.878 59.096 58.200 0.030 0.000 0.999 642 S CB -0.482 62.730 63.200 0.020 0.000 0.844 642 S HN 0.471 nan 8.310 nan 0.000 0.459 643 I N 1.534 122.121 120.570 0.029 0.000 2.315 643 I HA -0.090 4.081 4.170 0.000 0.000 0.248 643 I C 1.290 177.436 176.117 0.049 0.000 1.117 643 I CA 0.881 62.199 61.300 0.030 0.000 1.404 643 I CB -0.905 37.106 38.000 0.018 0.000 1.071 643 I HN 0.421 nan 8.210 nan 0.000 0.419 644 T N -0.463 114.129 114.554 0.063 0.000 2.932 644 T HA 0.307 4.658 4.350 0.000 0.000 0.312 644 T C 1.149 175.950 174.700 0.169 0.000 1.071 644 T CA 0.115 62.288 62.100 0.121 0.000 1.128 644 T CB 1.238 70.184 68.868 0.130 0.000 0.984 644 T HN 0.618 nan 8.240 nan 0.000 0.549 645 G N 1.402 110.325 108.800 0.205 0.000 2.157 645 G HA2 -0.205 3.755 3.960 0.000 0.000 0.248 645 G HA3 -0.205 3.755 3.960 0.000 0.000 0.248 645 G C -0.057 174.881 174.900 0.063 0.000 0.979 645 G CA 0.380 45.552 45.100 0.120 0.000 0.650 645 G HN 0.934 nan 8.290 nan 0.000 0.529 646 K N -0.901 119.538 120.400 0.066 0.000 2.295 646 K HA 0.611 4.931 4.320 0.000 0.000 0.239 646 K C 1.560 178.184 176.600 0.042 0.000 0.991 646 K CA -0.512 55.801 56.287 0.043 0.000 0.845 646 K CB 1.343 33.865 32.500 0.037 0.000 1.197 646 K HN 0.157 nan 8.250 nan 0.000 0.441 647 G N 0.420 109.239 108.800 0.032 0.000 2.432 647 G HA2 -0.247 3.714 3.960 0.000 0.000 0.219 647 G HA3 -0.247 3.714 3.960 0.000 0.000 0.219 647 G C 1.223 176.140 174.900 0.029 0.000 1.135 647 G CA 1.069 46.187 45.100 0.030 0.000 0.767 647 G HN 0.614 nan 8.290 nan 0.000 0.550 648 A N 1.428 124.265 122.820 0.028 0.000 2.216 648 A HA 0.066 4.386 4.320 0.000 0.000 0.214 648 A C 2.095 179.693 177.584 0.023 0.000 1.160 648 A CA 1.551 53.602 52.037 0.024 0.000 0.725 648 A CB -0.398 18.615 19.000 0.022 0.000 0.784 648 A HN 0.663 nan 8.150 nan 0.000 0.472 649 E N 0.022 120.240 120.200 0.029 0.000 2.333 649 E HA -0.234 4.116 4.350 0.000 0.000 0.198 649 E C 1.755 178.364 176.600 0.014 0.000 1.007 649 E CA 1.050 57.465 56.400 0.025 0.000 0.845 649 E CB -0.212 29.515 29.700 0.045 0.000 0.766 649 E HN 0.376 nan 8.360 nan 0.000 0.507 650 K N 1.284 121.694 120.400 0.017 0.000 2.074 650 K HA -0.127 4.193 4.320 0.000 0.000 0.209 650 K C 1.178 177.781 176.600 0.005 0.000 1.048 650 K CA 1.682 57.975 56.287 0.011 0.000 0.926 650 K CB -0.143 32.365 32.500 0.014 0.000 0.713 650 K HN 0.262 nan 8.250 nan 0.000 0.444 651 A N 1.050 123.873 122.820 0.006 0.000 2.676 651 A HA 0.117 4.437 4.320 0.000 0.000 0.297 651 A C 1.216 178.801 177.584 0.002 0.000 1.132 651 A CA -0.266 51.773 52.037 0.003 0.000 0.972 651 A CB -0.062 18.941 19.000 0.006 0.000 1.197 651 A HN 0.383 nan 8.150 nan 0.000 0.524 652 K N 0.028 120.428 120.400 -0.001 0.000 2.281 652 K HA -0.200 4.120 4.320 0.000 0.000 0.203 652 K C 0.817 177.413 176.600 -0.006 0.000 1.046 652 K CA 1.924 58.209 56.287 -0.003 0.000 0.938 652 K CB -0.099 32.396 32.500 -0.008 0.000 0.737 652 K HN 0.333 nan 8.250 nan 0.000 0.458 653 E N 1.446 121.640 120.200 -0.009 0.000 2.072 653 E HA -0.055 4.295 4.350 0.000 0.000 0.190 653 E C 1.743 178.341 176.600 -0.004 0.000 0.982 653 E CA 1.244 57.638 56.400 -0.009 0.000 0.803 653 E CB 0.060 29.752 29.700 -0.012 0.000 0.755 653 E HN 0.356 nan 8.360 nan 0.000 0.453 654 K N -0.034 120.365 120.400 -0.001 0.000 2.103 654 K HA -0.056 4.264 4.320 0.000 0.000 0.204 654 K C 1.778 178.380 176.600 0.004 0.000 1.052 654 K CA 0.619 56.908 56.287 0.002 0.000 0.945 654 K CB -0.041 32.461 32.500 0.004 0.000 0.722 654 K HN 0.014 nan 8.250 nan 0.000 0.443 655 L N 0.889 122.115 121.223 0.004 0.000 2.056 655 L HA -0.098 4.242 4.340 0.000 0.000 0.207 655 L C 2.363 179.236 176.870 0.005 0.000 1.078 655 L CA 1.644 56.487 54.840 0.006 0.000 0.749 655 L CB -0.936 41.127 42.059 0.007 0.000 0.901 655 L HN 0.120 nan 8.230 nan 0.000 0.433 656 A N -0.960 121.861 122.820 0.002 0.000 1.933 656 A HA -0.226 4.095 4.320 0.000 0.000 0.218 656 A C 2.300 179.885 177.584 0.002 0.000 1.175 656 A CA 1.643 53.681 52.037 0.001 0.000 0.628 656 A CB -0.487 18.511 19.000 -0.002 0.000 0.814 656 A HN 0.389 nan 8.150 nan 0.000 0.444 657 E N 0.308 120.509 120.200 0.001 0.000 2.077 657 E HA -0.145 4.205 4.350 0.000 0.000 0.193 657 E C 1.695 178.298 176.600 0.005 0.000 0.989 657 E CA 1.490 57.891 56.400 0.002 0.000 0.800 657 E CB -0.367 29.334 29.700 0.002 0.000 0.746 657 E HN 0.647 nan 8.360 nan 0.000 0.452 658 I N -0.310 120.264 120.570 0.006 0.000 2.179 658 I HA -0.232 3.938 4.170 0.000 0.000 0.242 658 I C 1.925 178.046 176.117 0.007 0.000 1.088 658 I CA 0.701 62.006 61.300 0.008 0.000 1.357 658 I CB -0.149 37.856 38.000 0.010 0.000 1.051 658 I HN 0.158 nan 8.210 nan 0.000 0.409 659 I N -0.306 120.268 120.570 0.006 0.000 2.353 659 I HA -0.176 3.995 4.170 0.000 0.000 0.248 659 I C 2.295 178.415 176.117 0.005 0.000 1.119 659 I CA 1.151 62.454 61.300 0.005 0.000 1.417 659 I CB -0.271 37.732 38.000 0.005 0.000 1.078 659 I HN -0.059 nan 8.210 nan 0.000 0.421 660 V N 0.152 120.069 119.914 0.005 0.000 2.379 660 V HA -0.185 3.935 4.120 0.000 0.000 0.245 660 V C 2.438 178.535 176.094 0.005 0.000 1.044 660 V CA 1.490 63.792 62.300 0.004 0.000 1.036 660 V CB -0.564 31.261 31.823 0.003 0.000 0.664 660 V HN 0.360 nan 8.190 nan 0.000 0.453 661 E N 0.372 120.576 120.200 0.006 0.000 2.106 661 E HA -0.117 4.233 4.350 0.000 0.000 0.192 661 E C 2.348 178.953 176.600 0.008 0.000 0.984 661 E CA 1.386 57.790 56.400 0.007 0.000 0.806 661 E CB -0.475 29.230 29.700 0.008 0.000 0.750 661 E HN 0.553 nan 8.360 nan 0.000 0.458 662 A N 1.004 123.828 122.820 0.008 0.000 1.902 662 A HA -0.134 4.186 4.320 0.000 0.000 0.217 662 A C 2.613 180.201 177.584 0.006 0.000 1.181 662 A CA 1.476 53.517 52.037 0.007 0.000 0.623 662 A CB -0.657 18.346 19.000 0.006 0.000 0.818 662 A HN 0.131 nan 8.150 nan 0.000 0.443 663 V N -0.270 119.647 119.914 0.005 0.000 2.270 663 V HA -0.202 3.918 4.120 0.000 0.000 0.245 663 V C 2.772 178.869 176.094 0.006 0.000 1.043 663 V CA 2.293 64.595 62.300 0.005 0.000 1.014 663 V CB -0.870 30.956 31.823 0.004 0.000 0.645 663 V HN 0.547 nan 8.190 nan 0.000 0.447 664 S N 0.215 115.919 115.700 0.007 0.000 2.400 664 S HA -0.204 4.267 4.470 0.000 0.000 0.232 664 S C 2.170 176.776 174.600 0.010 0.000 1.025 664 S CA 1.447 59.651 58.200 0.007 0.000 0.993 664 S CB -0.480 62.725 63.200 0.008 0.000 0.808 664 S HN 0.656 nan 8.310 nan 0.000 0.478 665 A N 0.980 123.807 122.820 0.011 0.000 1.898 665 A HA -0.033 4.287 4.320 0.000 0.000 0.216 665 A C 2.330 179.923 177.584 0.015 0.000 1.181 665 A CA 1.738 53.785 52.037 0.016 0.000 0.620 665 A CB -0.610 18.399 19.000 0.016 0.000 0.819 665 A HN 0.587 nan 8.150 nan 0.000 0.442 666 V N -3.818 116.102 119.914 0.010 0.000 3.565 666 V HA 0.113 4.234 4.120 0.000 0.000 0.260 666 V C 1.957 178.053 176.094 0.005 0.000 1.231 666 V CA 1.033 63.337 62.300 0.007 0.000 1.100 666 V CB -0.238 31.587 31.823 0.003 0.000 0.807 666 V HN 0.161 nan 8.190 nan 0.000 0.454 667 V N 0.831 120.748 119.914 0.004 0.000 2.626 667 V HA -0.092 4.028 4.120 0.000 0.000 0.252 667 V C 1.572 177.667 176.094 0.002 0.000 1.067 667 V CA 2.478 64.780 62.300 0.003 0.000 1.081 667 V CB -0.537 31.288 31.823 0.003 0.000 0.686 667 V HN 0.854 nan 8.190 nan 0.000 0.468 668 D N -0.729 119.673 120.400 0.003 0.000 4.438 668 D HA -0.217 4.423 4.640 0.000 0.000 0.158 668 D C 0.591 176.890 176.300 -0.001 0.000 0.686 668 D CA 1.919 55.919 54.000 0.000 0.000 1.183 668 D CB -1.258 39.541 40.800 -0.003 0.000 0.623 668 D HN 0.574 nan 8.370 nan 0.000 0.521 669 D N 1.339 121.738 120.400 -0.003 0.000 2.398 669 D HA 0.221 4.861 4.640 0.000 0.000 0.247 669 D C -0.153 176.146 176.300 -0.001 0.000 1.227 669 D CA 0.131 54.129 54.000 -0.003 0.000 0.980 669 D CB 0.518 41.316 40.800 -0.004 0.000 1.106 669 D HN 0.287 nan 8.370 nan 0.000 0.493 670 E N 0.146 120.346 120.200 -0.001 0.000 2.136 670 E HA 0.502 4.853 4.350 0.000 0.000 0.246 670 E C -0.815 175.785 176.600 0.001 0.000 1.017 670 E CA -0.531 55.869 56.400 0.001 0.000 0.883 670 E CB -0.457 29.244 29.700 0.001 0.000 1.199 670 E HN 0.496 nan 8.360 nan 0.000 0.447 671 G N 2.766 111.566 108.800 0.001 0.000 2.384 671 G HA2 0.169 4.129 3.960 0.000 0.000 0.300 671 G HA3 0.169 4.129 3.960 0.000 0.000 0.300 671 G C -1.857 173.044 174.900 0.001 0.000 1.582 671 G CA -0.800 44.301 45.100 0.001 0.000 0.875 671 G HN 0.150 nan 8.290 nan 0.000 0.628 672 K N 0.903 121.303 120.400 0.000 0.000 2.588 672 K HA 0.575 4.895 4.320 0.000 0.000 0.250 672 K C -1.579 175.021 176.600 0.000 0.000 0.972 672 K CA -0.632 55.655 56.287 0.000 0.000 0.821 672 K CB 2.120 34.620 32.500 -0.000 0.000 1.249 672 K HN 0.940 nan 8.250 nan 0.000 0.442 673 V N 3.244 123.159 119.914 0.000 0.000 2.483 673 V HA 0.418 4.538 4.120 0.000 0.000 0.295 673 V C -1.002 175.091 176.094 -0.001 0.000 1.035 673 V CA -0.499 61.801 62.300 0.000 0.000 0.896 673 V CB 1.588 33.412 31.823 0.001 0.000 0.986 673 V HN 0.781 nan 8.190 nan 0.000 0.447 674 D N 4.671 125.070 120.400 -0.002 0.000 2.329 674 D HA 0.321 4.961 4.640 0.000 0.000 0.232 674 D C 0.863 177.159 176.300 -0.005 0.000 1.088 674 D CA -0.252 53.746 54.000 -0.004 0.000 0.835 674 D CB 1.828 42.624 40.800 -0.006 0.000 1.078 674 D HN 0.594 nan 8.370 nan 0.000 0.495 675 K N 2.232 122.629 120.400 -0.005 0.000 2.281 675 K HA -0.167 4.153 4.320 0.000 0.000 0.203 675 K C 0.890 177.484 176.600 -0.010 0.000 1.046 675 K CA 0.917 57.200 56.287 -0.006 0.000 0.938 675 K CB 0.206 32.703 32.500 -0.005 0.000 0.737 675 K HN 0.394 nan 8.250 nan 0.000 0.458 676 D N 0.716 121.109 120.400 -0.012 0.000 2.269 676 D HA -0.071 4.569 4.640 0.000 0.000 0.208 676 D C 1.327 177.615 176.300 -0.020 0.000 0.963 676 D CA 0.658 54.648 54.000 -0.017 0.000 0.864 676 D CB 0.175 40.965 40.800 -0.018 0.000 0.936 676 D HN 0.103 nan 8.370 nan 0.000 0.505 677 L N -0.151 121.063 121.223 -0.015 0.000 2.558 677 L HA 0.186 4.526 4.340 0.000 0.000 0.225 677 L C 0.311 177.174 176.870 -0.013 0.000 1.128 677 L CA 0.214 55.045 54.840 -0.014 0.000 0.868 677 L CB 0.220 42.274 42.059 -0.009 0.000 1.006 677 L HN 0.021 nan 8.230 nan 0.000 0.454 678 I N 0.550 121.112 120.570 -0.012 0.000 2.502 678 I HA 0.176 4.346 4.170 0.000 0.000 0.276 678 I C 0.076 176.184 176.117 -0.015 0.000 1.057 678 I CA -0.412 60.881 61.300 -0.010 0.000 1.163 678 I CB 1.003 39.000 38.000 -0.005 0.000 1.288 678 I HN -0.086 nan 8.210 nan 0.000 0.479 679 K N 6.205 126.591 120.400 -0.022 0.000 2.368 679 K HA 0.292 4.612 4.320 0.000 0.000 0.282 679 K C -0.399 176.187 176.600 -0.024 0.000 1.035 679 K CA -0.363 55.907 56.287 -0.029 0.000 0.973 679 K CB 0.970 33.443 32.500 -0.045 0.000 0.957 679 K HN 0.440 nan 8.250 nan 0.000 0.474 680 I N 4.267 124.824 120.570 -0.022 0.000 2.287 680 I HA 0.145 4.315 4.170 0.000 0.000 0.290 680 I C 0.240 176.343 176.117 -0.023 0.000 1.069 680 I CA -0.566 60.724 61.300 -0.017 0.000 1.237 680 I CB 0.500 38.493 38.000 -0.011 0.000 1.418 680 I HN 0.506 nan 8.210 nan 0.000 0.481 681 E N 7.297 127.483 120.200 -0.024 0.000 2.183 681 E HA 0.560 4.910 4.350 0.000 0.000 0.271 681 E C -0.896 175.694 176.600 -0.017 0.000 0.919 681 E CA -0.713 55.669 56.400 -0.031 0.000 0.781 681 E CB 1.392 31.062 29.700 -0.051 0.000 1.140 681 E HN 0.550 nan 8.360 nan 0.000 0.402 682 K N 2.246 122.635 120.400 -0.017 0.000 2.427 682 K HA 0.686 5.006 4.320 0.000 0.000 0.252 682 K C -1.193 175.400 176.600 -0.010 0.000 0.931 682 K CA -1.170 55.112 56.287 -0.009 0.000 0.793 682 K CB 1.906 34.399 32.500 -0.011 0.000 1.211 682 K HN 0.216 nan 8.250 nan 0.000 0.426 683 K N 1.449 121.848 120.400 -0.002 0.000 2.581 683 K HA 0.188 4.508 4.320 0.000 0.000 0.249 683 K C -1.224 175.378 176.600 0.003 0.000 0.966 683 K CA -0.366 55.921 56.287 0.001 0.000 0.811 683 K CB 2.255 34.763 32.500 0.014 0.000 1.223 683 K HN 0.696 nan 8.250 nan 0.000 0.438 684 S N 2.572 118.269 115.700 -0.006 0.000 2.560 684 S HA 0.595 5.065 4.470 0.000 0.000 0.284 684 S C 0.016 174.619 174.600 0.005 0.000 1.327 684 S CA 1.237 59.435 58.200 -0.005 0.000 1.055 684 S CB -0.130 63.061 63.200 -0.015 0.000 0.868 684 S HN 1.044 nan 8.310 nan 0.000 0.506 685 G N 1.970 110.775 108.800 0.008 0.000 2.348 685 G HA2 0.532 4.492 3.960 0.000 0.000 0.606 685 G HA3 0.532 4.492 3.960 0.000 0.000 0.606 685 G C -0.180 174.728 174.900 0.014 0.000 1.466 685 G CA -0.032 45.075 45.100 0.012 0.000 0.950 685 G HN 2.070 nan 8.290 nan 0.000 0.657 686 A N -0.617 122.211 122.820 0.013 0.000 6.088 686 A HA 0.419 4.739 4.320 0.000 0.000 0.261 686 A C 1.265 178.857 177.584 0.013 0.000 2.138 686 A CA 1.980 54.025 52.037 0.012 0.000 0.708 686 A CB -1.809 17.200 19.000 0.014 0.000 1.068 686 A HN 2.916 nan 8.150 nan 0.000 0.364 687 S N -1.657 114.051 115.700 0.013 0.000 2.759 687 S HA 0.733 5.203 4.470 0.000 0.000 0.310 687 S C 1.056 175.664 174.600 0.014 0.000 1.123 687 S CA 0.084 58.292 58.200 0.013 0.000 0.959 687 S CB 1.317 64.524 63.200 0.011 0.000 1.172 687 S HN 1.919 nan 8.310 nan 0.000 0.539 688 I N 0.516 121.094 120.570 0.014 0.000 2.567 688 I HA -0.137 4.033 4.170 0.000 0.000 0.257 688 I C 1.068 177.192 176.117 0.012 0.000 1.184 688 I CA 1.438 62.746 61.300 0.014 0.000 1.451 688 I CB -0.231 37.777 38.000 0.015 0.000 1.089 688 I HN 0.634 nan 8.210 nan 0.000 0.441 689 D N 0.853 121.259 120.400 0.011 0.000 2.219 689 D HA -0.159 4.482 4.640 0.000 0.000 0.205 689 D C 1.267 177.573 176.300 0.010 0.000 0.970 689 D CA 1.219 55.225 54.000 0.009 0.000 0.851 689 D CB -0.176 40.628 40.800 0.007 0.000 0.943 689 D HN 0.517 nan 8.370 nan 0.000 0.488 690 D N -0.186 120.221 120.400 0.012 0.000 2.363 690 D HA -0.027 4.614 4.640 0.000 0.000 0.220 690 D C 0.250 176.562 176.300 0.019 0.000 0.994 690 D CA 0.401 54.410 54.000 0.014 0.000 0.890 690 D CB 0.077 40.886 40.800 0.015 0.000 0.906 690 D HN -0.056 nan 8.370 nan 0.000 0.530 691 T N 1.801 116.366 114.554 0.019 0.000 2.908 691 T HA 0.131 4.481 4.350 0.000 0.000 0.301 691 T C 0.214 174.927 174.700 0.022 0.000 1.019 691 T CA 0.261 62.373 62.100 0.021 0.000 1.152 691 T CB 0.308 69.186 68.868 0.017 0.000 0.966 691 T HN 0.295 nan 8.240 nan 0.000 0.540 692 E N 1.867 122.084 120.200 0.029 0.000 2.412 692 E HA 0.582 4.933 4.350 0.000 0.000 0.279 692 E C -1.622 175.000 176.600 0.036 0.000 0.984 692 E CA -1.157 55.261 56.400 0.030 0.000 0.788 692 E CB 1.169 30.889 29.700 0.033 0.000 1.277 692 E HN 0.308 nan 8.360 nan 0.000 0.455 693 L N 1.779 123.021 121.223 0.032 0.000 2.307 693 L HA 0.515 4.855 4.340 0.000 0.000 0.282 693 L C -1.123 175.774 176.870 0.045 0.000 1.051 693 L CA -0.441 54.418 54.840 0.032 0.000 0.804 693 L CB 1.072 43.144 42.059 0.022 0.000 1.197 693 L HN 0.599 nan 8.230 nan 0.000 0.431 694 I N 5.501 126.102 120.570 0.052 0.000 2.382 694 I HA 0.261 4.431 4.170 0.000 0.000 0.285 694 I C 0.029 176.177 176.117 0.052 0.000 1.007 694 I CA -0.695 60.650 61.300 0.076 0.000 1.142 694 I CB 1.150 39.223 38.000 0.122 0.000 1.289 694 I HN 0.595 nan 8.210 nan 0.000 0.453 695 K N 5.875 126.303 120.400 0.046 0.000 2.199 695 K HA 0.548 4.868 4.320 0.000 0.000 0.226 695 K C 0.187 176.808 176.600 0.036 0.000 1.237 695 K CA -0.123 56.183 56.287 0.032 0.000 1.170 695 K CB -0.083 32.431 32.500 0.022 0.000 1.418 695 K HN 0.854 nan 8.250 nan 0.000 0.255 696 G N 0.076 108.894 108.800 0.031 0.000 2.368 696 G HA2 0.142 4.102 3.960 0.000 0.000 0.269 696 G HA3 0.142 4.102 3.960 0.000 0.000 0.269 696 G C -1.714 173.186 174.900 0.000 0.000 1.291 696 G CA -0.707 44.407 45.100 0.023 0.000 0.903 696 G HN 0.145 nan 8.290 nan 0.000 0.483 697 V N 0.628 120.530 119.914 -0.020 0.000 2.540 697 V HA 0.674 4.794 4.120 0.000 0.000 0.302 697 V C -0.640 175.379 176.094 -0.126 0.000 1.035 697 V CA -0.655 61.601 62.300 -0.074 0.000 0.873 697 V CB 1.455 33.219 31.823 -0.098 0.000 0.992 697 V HN 0.885 nan 8.190 nan 0.000 0.428 698 L N 6.748 127.851 121.223 -0.200 0.000 2.265 698 L HA 0.673 5.013 4.340 0.000 0.000 0.289 698 L C -0.455 176.259 176.870 -0.260 0.000 1.033 698 L CA 0.152 54.764 54.840 -0.379 0.000 0.814 698 L CB 1.494 43.232 42.059 -0.535 0.000 1.203 698 L HN 0.445 nan 8.230 nan 0.000 0.423 699 V N 4.490 124.271 119.914 -0.220 0.000 2.472 699 V HA 0.313 4.433 4.120 0.000 0.000 0.290 699 V C -0.220 175.820 176.094 -0.090 0.000 1.037 699 V CA -0.626 61.603 62.300 -0.118 0.000 0.908 699 V CB 1.607 33.406 31.823 -0.040 0.000 0.985 699 V HN 0.830 nan 8.190 nan 0.000 0.454 700 D N 3.602 123.965 120.400 -0.062 0.000 3.085 700 D HA 0.192 4.832 4.640 0.000 0.000 0.243 700 D C 0.057 176.356 176.300 -0.002 0.000 1.232 700 D CA -0.276 53.699 54.000 -0.042 0.000 0.913 700 D CB 0.115 40.891 40.800 -0.041 0.000 1.108 700 D HN 0.244 nan 8.370 nan 0.000 0.468 701 K N 0.518 120.932 120.400 0.023 0.000 2.439 701 K HA 0.423 4.744 4.320 0.000 0.000 0.260 701 K C 0.345 176.971 176.600 0.043 0.000 1.032 701 K CA -0.646 55.668 56.287 0.045 0.000 0.882 701 K CB 2.359 34.913 32.500 0.089 0.000 1.420 701 K HN 0.331 nan 8.250 nan 0.000 0.455 702 E N 0.644 120.861 120.200 0.029 0.000 2.393 702 E HA 0.402 4.752 4.350 0.000 0.000 0.265 702 E C -0.681 175.913 176.600 -0.009 0.000 0.941 702 E CA -0.909 55.501 56.400 0.017 0.000 0.801 702 E CB 1.157 30.865 29.700 0.013 0.000 1.313 702 E HN 0.209 nan 8.360 nan 0.000 0.435 703 R N 1.025 121.514 120.500 -0.019 0.000 2.351 703 R HA 0.103 4.443 4.340 0.000 0.000 0.318 703 R C 1.045 177.315 176.300 -0.049 0.000 1.055 703 R CA -0.104 55.968 56.100 -0.047 0.000 0.968 703 R CB 0.530 30.803 30.300 -0.044 0.000 0.974 703 R HN 0.516 nan 8.270 nan 0.000 0.439 704 V N 1.980 121.858 119.914 -0.061 0.000 2.688 704 V HA -0.154 3.966 4.120 0.000 0.000 0.256 704 V C 0.773 176.825 176.094 -0.069 0.000 1.084 704 V CA 1.912 64.180 62.300 -0.054 0.000 1.103 704 V CB 0.052 31.843 31.823 -0.055 0.000 0.688 704 V HN 0.726 nan 8.190 nan 0.000 0.480 705 S N -2.118 113.529 115.700 -0.088 0.000 2.526 705 S HA 0.667 5.137 4.470 0.000 0.000 0.293 705 S C 0.790 175.334 174.600 -0.094 0.000 1.092 705 S CA -0.168 57.961 58.200 -0.118 0.000 0.980 705 S CB 1.856 64.944 63.200 -0.188 0.000 1.048 705 S HN 0.481 nan 8.310 nan 0.000 0.483 706 A N 2.860 125.628 122.820 -0.088 0.000 2.070 706 A HA -0.057 4.264 4.320 0.000 0.000 0.220 706 A C 1.864 179.408 177.584 -0.066 0.000 1.159 706 A CA 1.616 53.615 52.037 -0.063 0.000 0.656 706 A CB -0.586 18.384 19.000 -0.050 0.000 0.800 706 A HN 0.888 nan 8.150 nan 0.000 0.453 707 Q N -1.112 118.631 119.800 -0.095 0.000 2.424 707 Q HA 0.176 4.516 4.340 0.000 0.000 0.204 707 Q C 0.397 176.356 176.000 -0.068 0.000 0.933 707 Q CA -0.140 55.614 55.803 -0.082 0.000 0.929 707 Q CB -0.065 28.607 28.738 -0.111 0.000 1.037 707 Q HN 0.670 nan 8.270 nan 0.000 0.511 708 M N 2.102 121.657 119.600 -0.074 0.000 2.242 708 M HA 0.259 4.739 4.480 0.000 0.000 0.344 708 M C -2.049 174.226 176.300 -0.042 0.000 1.140 708 M CA -1.946 53.319 55.300 -0.059 0.000 1.160 708 M CB 0.586 33.144 32.600 -0.069 0.000 1.491 708 M HN -0.062 nan 8.290 nan 0.000 0.459 709 P HA 0.014 nan 4.420 nan 0.000 0.266 709 P C -0.520 176.766 177.300 -0.023 0.000 1.193 709 P CA 0.288 63.373 63.100 -0.024 0.000 0.770 709 P CB 0.472 32.161 31.700 -0.019 0.000 0.836 710 K N 0.788 121.179 120.400 -0.015 0.000 2.367 710 K HA 0.104 4.424 4.320 0.000 0.000 0.194 710 K C 0.518 177.119 176.600 0.002 0.000 1.027 710 K CA 0.360 56.642 56.287 -0.007 0.000 1.075 710 K CB 0.366 32.863 32.500 -0.006 0.000 0.845 710 K HN 0.311 nan 8.250 nan 0.000 0.529 711 K N 1.194 121.593 120.400 -0.001 0.000 2.581 711 K HA 0.268 4.588 4.320 0.000 0.000 0.249 711 K C -1.816 174.785 176.600 0.003 0.000 0.966 711 K CA -0.467 55.823 56.287 0.004 0.000 0.811 711 K CB 1.985 34.485 32.500 -0.001 0.000 1.223 711 K HN -0.239 nan 8.250 nan 0.000 0.438 712 V N 3.122 123.042 119.914 0.010 0.000 2.531 712 V HA 0.430 4.550 4.120 0.000 0.000 0.301 712 V C -0.216 175.888 176.094 0.017 0.000 1.034 712 V CA -0.717 61.589 62.300 0.009 0.000 0.865 712 V CB 1.747 33.573 31.823 0.005 0.000 0.995 712 V HN 0.944 nan 8.190 nan 0.000 0.424 713 T N -0.121 114.441 114.554 0.012 0.000 2.925 713 T HA 0.589 4.939 4.350 0.000 0.000 0.285 713 T C 0.001 174.709 174.700 0.014 0.000 1.021 713 T CA -0.318 61.790 62.100 0.013 0.000 1.042 713 T CB 1.422 70.294 68.868 0.007 0.000 1.037 713 T HN 0.764 nan 8.240 nan 0.000 0.481 714 D N 0.179 120.588 120.400 0.016 0.000 2.699 714 D HA -0.137 4.504 4.640 0.000 0.000 0.239 714 D C 0.225 176.538 176.300 0.022 0.000 1.136 714 D CA 0.865 54.874 54.000 0.016 0.000 0.668 714 D CB -1.247 39.560 40.800 0.011 0.000 1.060 714 D HN 1.096 nan 8.370 nan 0.000 0.429 715 A N 1.479 124.317 122.820 0.030 0.000 2.425 715 A HA 0.454 4.774 4.320 0.000 0.000 0.249 715 A C 0.464 178.074 177.584 0.043 0.000 1.084 715 A CA -0.025 52.035 52.037 0.038 0.000 0.781 715 A CB 0.674 19.707 19.000 0.055 0.000 1.019 715 A HN 0.145 nan 8.150 nan 0.000 0.490 716 K N 2.779 123.203 120.400 0.040 0.000 2.404 716 K HA 0.377 4.697 4.320 0.000 0.000 0.257 716 K C -1.221 175.415 176.600 0.060 0.000 1.026 716 K CA -0.254 56.059 56.287 0.044 0.000 0.951 716 K CB 1.034 33.552 32.500 0.030 0.000 1.203 716 K HN 0.542 nan 8.250 nan 0.000 0.446 717 I N 2.206 122.829 120.570 0.088 0.000 2.371 717 I HA 0.180 4.350 4.170 0.000 0.000 0.290 717 I C 0.396 176.587 176.117 0.123 0.000 1.028 717 I CA -0.091 61.297 61.300 0.146 0.000 1.345 717 I CB 1.316 39.435 38.000 0.199 0.000 1.407 717 I HN 0.503 nan 8.210 nan 0.000 0.501 718 A N 7.584 130.484 122.820 0.134 0.000 2.330 718 A HA 0.854 5.174 4.320 0.000 0.000 0.327 718 A C -0.785 176.892 177.584 0.155 0.000 1.155 718 A CA -0.564 51.536 52.037 0.105 0.000 0.803 718 A CB 0.676 19.713 19.000 0.062 0.000 1.208 718 A HN 0.653 nan 8.150 nan 0.000 0.477 719 L N 3.475 124.764 121.223 0.110 0.000 2.345 719 L HA 0.469 4.809 4.340 0.000 0.000 0.274 719 L C -1.034 175.878 176.870 0.069 0.000 0.999 719 L CA -0.052 54.850 54.840 0.104 0.000 0.849 719 L CB 0.932 43.027 42.059 0.061 0.000 1.220 719 L HN 0.569 nan 8.230 nan 0.000 0.422 720 L N 2.878 124.146 121.223 0.074 0.000 2.365 720 L HA 0.421 4.761 4.340 0.000 0.000 0.273 720 L C 0.356 177.255 176.870 0.048 0.000 1.000 720 L CA -0.539 54.331 54.840 0.050 0.000 0.819 720 L CB 2.084 44.170 42.059 0.044 0.000 1.284 720 L HN 0.580 nan 8.230 nan 0.000 0.418 721 N N -0.243 118.478 118.700 0.034 0.000 2.205 721 N HA 0.020 4.760 4.740 0.000 0.000 0.201 721 N C 0.097 175.622 175.510 0.025 0.000 1.128 721 N CA -0.309 52.759 53.050 0.029 0.000 0.867 721 N CB 0.281 38.781 38.487 0.022 0.000 0.996 721 N HN 0.407 nan 8.380 nan 0.000 0.503 722 C N 1.661 120.975 119.300 0.024 0.000 2.499 722 C HA 0.763 5.223 4.460 0.000 0.000 0.386 722 C C 0.968 175.972 174.990 0.023 0.000 1.293 722 C CA -0.961 58.069 59.018 0.021 0.000 1.884 722 C CB -1.353 26.398 27.740 0.019 0.000 2.509 722 C HN 0.564 nan 8.230 nan 0.000 0.566 723 A N 6.344 129.176 122.820 0.021 0.000 2.540 723 A HA 0.360 4.681 4.320 0.000 0.000 0.239 723 A C 0.174 177.772 177.584 0.023 0.000 1.061 723 A CA 0.135 52.185 52.037 0.022 0.000 0.758 723 A CB -0.035 18.977 19.000 0.019 0.000 0.991 723 A HN 0.894 nan 8.150 nan 0.000 0.502 724 I N 2.365 122.951 120.570 0.025 0.000 2.257 724 I HA 0.231 4.402 4.170 0.000 0.000 0.290 724 I C 0.322 176.460 176.117 0.034 0.000 1.137 724 I CA 0.469 61.786 61.300 0.029 0.000 1.255 724 I CB -0.174 37.845 38.000 0.031 0.000 1.485 724 I HN 0.784 nan 8.210 nan 0.000 0.534 725 E N 5.073 125.291 120.200 0.030 0.000 2.317 725 E HA 0.325 4.675 4.350 0.000 0.000 0.270 725 E C -1.277 175.339 176.600 0.027 0.000 0.899 725 E CA -0.511 55.907 56.400 0.031 0.000 0.814 725 E CB 1.425 31.141 29.700 0.026 0.000 1.296 725 E HN 0.261 nan 8.360 nan 0.000 0.404 726 E N 2.724 122.943 120.200 0.032 0.000 2.256 726 E HA 0.250 4.600 4.350 0.000 0.000 0.268 726 E C -0.842 175.774 176.600 0.027 0.000 0.877 726 E CA -0.766 55.650 56.400 0.025 0.000 0.757 726 E CB 2.148 31.861 29.700 0.023 0.000 1.183 726 E HN 0.458 nan 8.360 nan 0.000 0.418 727 T N 1.559 116.125 114.554 0.020 0.000 2.934 727 T HA 0.327 4.677 4.350 0.000 0.000 0.306 727 T C 0.189 174.901 174.700 0.021 0.000 1.042 727 T CA 0.835 62.946 62.100 0.018 0.000 1.145 727 T CB 0.207 69.083 68.868 0.013 0.000 0.982 727 T HN 0.720 nan 8.240 nan 0.000 0.544 728 A N 2.552 125.386 122.820 0.024 0.000 2.435 728 A HA -0.089 4.231 4.320 0.000 0.000 0.686 728 A C 1.587 179.198 177.584 0.046 0.000 0.138 728 A CA 0.268 52.322 52.037 0.027 0.000 0.024 728 A CB -1.523 17.488 19.000 0.018 0.000 3.974 728 A HN 0.942 nan 8.150 nan 0.000 0.548 729 S N 0.119 115.857 115.700 0.064 0.000 2.383 729 S HA -0.131 4.340 4.470 0.000 0.000 0.227 729 S C 1.636 176.285 174.600 0.083 0.000 1.026 729 S CA 2.049 60.328 58.200 0.131 0.000 0.981 729 S CB -0.176 63.123 63.200 0.165 0.000 0.818 729 S HN 1.044 nan 8.310 nan 0.000 0.472 730 E N 0.736 120.951 120.200 0.024 0.000 2.106 730 E HA -0.036 4.314 4.350 0.000 0.000 0.192 730 E C 1.955 178.528 176.600 -0.046 0.000 0.984 730 E CA 1.261 57.641 56.400 -0.034 0.000 0.806 730 E CB -0.177 29.511 29.700 -0.020 0.000 0.750 730 E HN 0.401 nan 8.360 nan 0.000 0.458 731 M N -0.352 119.239 119.600 -0.014 0.000 2.200 731 M HA -0.015 4.465 4.480 0.000 0.000 0.265 731 M C 2.056 178.350 176.300 -0.011 0.000 1.066 731 M CA 0.789 56.082 55.300 -0.012 0.000 1.127 731 M CB -0.745 31.856 32.600 0.001 0.000 1.379 731 M HN 0.237 nan 8.290 nan 0.000 0.420 732 L N 0.621 121.851 121.223 0.012 0.000 2.179 732 L HA -0.068 4.272 4.340 0.000 0.000 0.208 732 L C 2.317 179.188 176.870 0.003 0.000 1.096 732 L CA 1.752 56.614 54.840 0.036 0.000 0.779 732 L CB -0.729 41.384 42.059 0.090 0.000 0.922 732 L HN 0.222 nan 8.230 nan 0.000 0.443 733 K N -0.646 119.693 120.400 -0.100 0.000 2.147 733 K HA -0.245 4.075 4.320 0.000 0.000 0.205 733 K C 1.802 178.278 176.600 -0.207 0.000 1.049 733 K CA 1.695 57.769 56.287 -0.356 0.000 0.936 733 K CB -0.155 31.897 32.500 -0.747 0.000 0.722 733 K HN 0.395 nan 8.250 nan 0.000 0.446 734 D N -0.075 120.250 120.400 -0.125 0.000 2.144 734 D HA -0.163 4.477 4.640 0.000 0.000 0.199 734 D C 1.836 178.105 176.300 -0.051 0.000 0.984 734 D CA 1.189 55.141 54.000 -0.080 0.000 0.834 734 D CB 0.170 40.938 40.800 -0.053 0.000 0.955 734 D HN 0.137 nan 8.370 nan 0.000 0.465 735 M N -0.096 119.484 119.600 -0.034 0.000 2.132 735 M HA -0.082 4.399 4.480 0.000 0.000 0.263 735 M C 2.297 178.593 176.300 -0.008 0.000 1.065 735 M CA 0.652 55.945 55.300 -0.011 0.000 1.122 735 M CB -0.798 31.805 32.600 0.005 0.000 1.365 735 M HN 0.030 nan 8.290 nan 0.000 0.411 736 V N 0.658 120.566 119.914 -0.011 0.000 2.343 736 V HA -0.234 3.887 4.120 0.000 0.000 0.247 736 V C 2.715 178.800 176.094 -0.015 0.000 1.051 736 V CA 1.870 64.172 62.300 0.003 0.000 1.036 736 V CB -1.357 30.483 31.823 0.028 0.000 0.654 736 V HN 0.485 nan 8.190 nan 0.000 0.451 737 A N -0.166 122.627 122.820 -0.046 0.000 1.933 737 A HA -0.237 4.084 4.320 0.000 0.000 0.218 737 A C 2.186 179.756 177.584 -0.023 0.000 1.175 737 A CA 1.958 53.970 52.037 -0.042 0.000 0.628 737 A CB -0.450 18.512 19.000 -0.064 0.000 0.814 737 A HN 0.559 nan 8.150 nan 0.000 0.444 738 E N 0.283 120.471 120.200 -0.020 0.000 2.106 738 E HA -0.098 4.253 4.350 0.000 0.000 0.192 738 E C 1.665 178.264 176.600 -0.002 0.000 0.984 738 E CA 1.258 57.652 56.400 -0.010 0.000 0.806 738 E CB -0.355 29.340 29.700 -0.008 0.000 0.750 738 E HN 0.645 nan 8.360 nan 0.000 0.458 739 I N 0.433 121.003 120.570 0.000 0.000 2.252 739 I HA -0.211 3.959 4.170 0.000 0.000 0.245 739 I C 2.511 178.631 176.117 0.005 0.000 1.102 739 I CA 0.917 62.221 61.300 0.006 0.000 1.385 739 I CB -0.325 37.680 38.000 0.009 0.000 1.064 739 I HN 0.068 nan 8.210 nan 0.000 0.414 740 K N 1.754 122.155 120.400 0.002 0.000 2.097 740 K HA -0.147 4.174 4.320 0.000 0.000 0.206 740 K C 2.099 178.700 176.600 0.002 0.000 1.049 740 K CA 1.748 58.036 56.287 0.003 0.000 0.933 740 K CB -0.221 32.280 32.500 0.001 0.000 0.717 740 K HN 0.292 nan 8.250 nan 0.000 0.442 741 A N 0.560 123.380 122.820 -0.001 0.000 1.978 741 A HA -0.111 4.209 4.320 0.000 0.000 0.220 741 A C 2.248 179.834 177.584 0.003 0.000 1.170 741 A CA 2.051 54.087 52.037 -0.001 0.000 0.636 741 A CB -0.525 18.473 19.000 -0.004 0.000 0.810 741 A HN 0.380 nan 8.150 nan 0.000 0.448 742 S N -1.815 113.888 115.700 0.005 0.000 2.447 742 S HA 0.233 4.703 4.470 0.000 0.000 0.233 742 S C 1.550 176.156 174.600 0.010 0.000 1.006 742 S CA 1.243 59.448 58.200 0.009 0.000 0.957 742 S CB -0.148 63.059 63.200 0.012 0.000 0.773 742 S HN 1.695 nan 8.310 nan 0.000 0.507 743 G N 0.729 109.534 108.800 0.009 0.000 2.163 743 G HA2 -0.107 3.854 3.960 0.000 0.000 0.213 743 G HA3 -0.107 3.854 3.960 0.000 0.000 0.213 743 G C 0.120 175.028 174.900 0.012 0.000 0.991 743 G CA -0.176 44.930 45.100 0.010 0.000 0.653 743 G HN 0.835 nan 8.290 nan 0.000 0.518 744 A N 0.045 122.873 122.820 0.013 0.000 2.540 744 A HA 0.564 4.884 4.320 0.000 0.000 0.239 744 A C 1.188 178.775 177.584 0.006 0.000 1.061 744 A CA 1.035 53.081 52.037 0.015 0.000 0.758 744 A CB 0.168 19.177 19.000 0.015 0.000 0.991 744 A HN 0.375 nan 8.150 nan 0.000 0.502 745 N N 0.620 119.323 118.700 0.005 0.000 2.382 745 N HA 0.116 4.856 4.740 0.000 0.000 0.200 745 N C -0.656 174.837 175.510 -0.028 0.000 1.122 745 N CA 0.525 53.571 53.050 -0.006 0.000 0.870 745 N CB 0.903 39.392 38.487 0.003 0.000 1.176 745 N HN 0.389 nan 8.380 nan 0.000 0.474 746 V N 2.390 122.287 119.914 -0.029 0.000 2.487 746 V HA 0.445 4.565 4.120 0.000 0.000 0.298 746 V C -0.967 175.058 176.094 -0.116 0.000 1.028 746 V CA -0.831 61.411 62.300 -0.097 0.000 0.860 746 V CB 2.390 34.190 31.823 -0.039 0.000 0.991 746 V HN 0.004 nan 8.190 nan 0.000 0.427 747 L N 5.571 126.644 121.223 -0.251 0.000 2.381 747 L HA 0.712 5.053 4.340 0.000 0.000 0.274 747 L C -1.419 175.237 176.870 -0.358 0.000 0.988 747 L CA -0.024 54.712 54.840 -0.174 0.000 0.824 747 L CB 1.476 43.483 42.059 -0.087 0.000 1.263 747 L HN 0.469 nan 8.230 nan 0.000 0.410 748 F N 4.875 124.828 119.950 0.005 0.000 2.375 748 F HA 0.459 4.987 4.527 0.000 0.000 0.361 748 F C 0.140 175.942 175.800 0.003 0.000 1.117 748 F CA -0.362 57.639 58.000 0.001 0.000 1.037 748 F CB 1.407 40.406 39.000 -0.002 0.000 1.192 748 F HN 0.509 nan 8.300 nan 0.000 0.452 749 C N 5.029 124.408 119.300 0.132 0.000 2.303 749 C HA 0.253 4.714 4.460 0.000 0.000 0.326 749 C C 1.612 176.653 174.990 0.085 0.000 1.285 749 C CA -0.423 58.646 59.018 0.085 0.000 1.675 749 C CB 0.780 28.546 27.740 0.042 0.000 2.289 749 C HN 0.948 nan 8.230 nan 0.000 0.512 750 Q N 3.410 123.251 119.800 0.068 0.000 2.079 750 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 750 Q C 1.021 177.044 176.000 0.038 0.000 0.974 750 Q CA 1.664 57.497 55.803 0.050 0.000 0.840 750 Q CB 0.170 28.928 28.738 0.035 0.000 0.898 750 Q HN 0.777 nan 8.270 nan 0.000 0.430 751 K N -1.133 119.286 120.400 0.033 0.000 2.842 751 K HA 0.398 4.718 4.320 0.000 0.000 0.310 751 K C 0.493 177.109 176.600 0.026 0.000 0.992 751 K CA -0.117 56.185 56.287 0.026 0.000 1.207 751 K CB -0.242 32.271 32.500 0.022 0.000 1.478 751 K HN 0.105 nan 8.250 nan 0.000 0.601 752 G N 0.325 109.138 108.800 0.022 0.000 2.504 752 G HA2 0.502 4.462 3.960 0.000 0.000 0.288 752 G HA3 0.502 4.462 3.960 0.000 0.000 0.288 752 G C -0.634 174.279 174.900 0.020 0.000 1.182 752 G CA -0.630 44.481 45.100 0.019 0.000 0.894 752 G HN 0.337 nan 8.290 nan 0.000 0.521 753 I N 0.843 121.424 120.570 0.018 0.000 2.447 753 I HA 0.167 4.338 4.170 0.000 0.000 0.287 753 I C -0.540 175.593 176.117 0.026 0.000 1.023 753 I CA -0.761 60.552 61.300 0.021 0.000 1.083 753 I CB 1.990 39.996 38.000 0.011 0.000 1.245 753 I HN 0.410 nan 8.210 nan 0.000 0.434 754 D N 5.333 125.754 120.400 0.036 0.000 2.414 754 D HA -0.035 4.605 4.640 0.000 0.000 0.242 754 D C 0.678 177.012 176.300 0.058 0.000 1.129 754 D CA 0.105 54.130 54.000 0.042 0.000 0.885 754 D CB 1.356 42.182 40.800 0.045 0.000 1.198 754 D HN 0.497 nan 8.370 nan 0.000 0.437 755 D N 2.967 123.405 120.400 0.064 0.000 2.190 755 D HA -0.169 4.471 4.640 0.000 0.000 0.200 755 D C 1.920 178.333 176.300 0.187 0.000 0.992 755 D CA 0.748 54.820 54.000 0.120 0.000 0.854 755 D CB 0.258 41.127 40.800 0.116 0.000 0.936 755 D HN 0.341 nan 8.370 nan 0.000 0.462 756 L N 0.953 122.224 121.223 0.079 0.000 2.046 756 L HA -0.102 4.239 4.340 0.000 0.000 0.208 756 L C 2.494 179.428 176.870 0.107 0.000 1.077 756 L CA 1.254 56.111 54.840 0.027 0.000 0.747 756 L CB -0.958 41.136 42.059 0.058 0.000 0.896 756 L HN -0.049 nan 8.230 nan 0.000 0.432 757 A N -1.423 121.489 122.820 0.153 0.000 1.930 757 A HA -0.207 4.113 4.320 0.000 0.000 0.217 757 A C 2.209 179.869 177.584 0.125 0.000 1.175 757 A CA 1.212 53.357 52.037 0.180 0.000 0.627 757 A CB -0.395 18.673 19.000 0.114 0.000 0.815 757 A HN 0.516 nan 8.150 nan 0.000 0.443 758 Q N -1.181 118.663 119.800 0.073 0.000 2.124 758 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 758 Q C 1.920 177.874 176.000 -0.076 0.000 0.977 758 Q CA 1.866 57.660 55.803 -0.016 0.000 0.850 758 Q CB -0.292 28.402 28.738 -0.074 0.000 0.901 758 Q HN 0.863 nan 8.270 nan 0.000 0.429 759 H N -1.295 117.713 119.070 -0.103 0.000 2.363 759 H HA -0.106 4.450 4.556 0.000 0.000 0.301 759 H C 1.321 176.563 175.328 -0.142 0.000 1.074 759 H CA 1.390 57.335 56.048 -0.172 0.000 1.354 759 H CB 0.028 29.607 29.762 -0.305 0.000 1.397 759 H HN 0.240 nan 8.280 nan 0.000 0.516 760 Y N 0.097 120.464 120.300 0.111 0.000 2.314 760 Y HA -0.076 4.474 4.550 0.000 0.000 0.293 760 Y C 2.254 178.167 175.900 0.022 0.000 1.129 760 Y CA 0.601 58.733 58.100 0.054 0.000 1.201 760 Y CB -0.487 37.997 38.460 0.040 0.000 0.999 760 Y HN 0.127 nan 8.280 nan 0.000 0.541 761 L N -1.034 120.284 121.223 0.157 0.000 2.046 761 L HA -0.213 4.127 4.340 0.000 0.000 0.208 761 L C 2.620 179.506 176.870 0.028 0.000 1.077 761 L CA 1.156 56.036 54.840 0.068 0.000 0.747 761 L CB -0.771 41.306 42.059 0.029 0.000 0.896 761 L HN 0.191 nan 8.230 nan 0.000 0.432 762 A N 0.020 122.842 122.820 0.003 0.000 1.933 762 A HA -0.204 4.116 4.320 0.000 0.000 0.218 762 A C 2.303 179.892 177.584 0.008 0.000 1.175 762 A CA 1.528 53.551 52.037 -0.023 0.000 0.628 762 A CB -0.308 18.645 19.000 -0.077 0.000 0.814 762 A HN 0.308 nan 8.150 nan 0.000 0.444 763 K N -0.366 120.061 120.400 0.045 0.000 2.147 763 K HA -0.096 4.224 4.320 0.000 0.000 0.205 763 K C 1.378 178.010 176.600 0.054 0.000 1.049 763 K CA 1.240 57.565 56.287 0.063 0.000 0.936 763 K CB -0.029 32.544 32.500 0.121 0.000 0.722 763 K HN 0.384 nan 8.250 nan 0.000 0.446 764 E N -0.469 119.764 120.200 0.055 0.000 2.478 764 E HA 0.003 4.353 4.350 0.000 0.000 0.194 764 E C 0.898 177.508 176.600 0.018 0.000 1.045 764 E CA 0.526 56.947 56.400 0.036 0.000 0.868 764 E CB 0.594 30.316 29.700 0.037 0.000 0.885 764 E HN 0.478 nan 8.360 nan 0.000 0.505 765 G N 1.950 110.757 108.800 0.011 0.000 2.147 765 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 765 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 765 G C 0.222 175.116 174.900 -0.010 0.000 1.005 765 G CA 0.175 45.274 45.100 -0.002 0.000 0.713 765 G HN 0.253 nan 8.290 nan 0.000 0.515 766 I N 1.040 121.603 120.570 -0.011 0.000 2.315 766 I HA 0.443 4.614 4.170 0.000 0.000 0.291 766 I C 0.995 177.084 176.117 -0.047 0.000 1.006 766 I CA -1.169 60.117 61.300 -0.024 0.000 1.265 766 I CB 1.571 39.562 38.000 -0.014 0.000 1.387 766 I HN 0.143 nan 8.210 nan 0.000 0.475 767 V N 3.626 123.498 119.914 -0.070 0.000 2.644 767 V HA 0.934 5.055 4.120 0.000 0.000 0.295 767 V C 0.057 176.056 176.094 -0.159 0.000 1.053 767 V CA -0.326 61.913 62.300 -0.101 0.000 0.987 767 V CB 1.309 33.073 31.823 -0.098 0.000 1.006 767 V HN 0.832 nan 8.190 nan 0.000 0.472 768 A N 3.137 125.857 122.820 -0.167 0.000 2.549 768 A HA 0.984 5.304 4.320 0.000 0.000 0.297 768 A C -0.393 177.073 177.584 -0.197 0.000 1.061 768 A CA -0.296 51.618 52.037 -0.204 0.000 0.690 768 A CB 1.800 20.730 19.000 -0.117 0.000 1.287 768 A HN 2.341 nan 8.150 nan 0.000 0.402 769 A N 1.955 124.630 122.820 -0.242 0.000 2.353 769 A HA 0.740 5.061 4.320 0.000 0.000 0.299 769 A C 0.021 177.592 177.584 -0.023 0.000 1.089 769 A CA -0.626 51.340 52.037 -0.117 0.000 0.736 769 A CB 0.748 19.687 19.000 -0.102 0.000 1.195 769 A HN 1.217 nan 8.150 nan 0.000 0.447 770 R N 1.855 122.356 120.500 0.002 0.000 2.608 770 R HA 0.714 5.054 4.340 0.000 0.000 0.255 770 R C -0.348 175.977 176.300 0.040 0.000 1.086 770 R CA -0.773 55.342 56.100 0.025 0.000 1.125 770 R CB 0.376 30.683 30.300 0.012 0.000 1.193 770 R HN 0.489 nan 8.270 nan 0.000 0.553 771 R N -1.084 119.438 120.500 0.037 0.000 3.525 771 R HA -0.109 4.231 4.340 0.000 0.000 0.276 771 R C -0.714 175.611 176.300 0.042 0.000 1.116 771 R CA 0.590 56.710 56.100 0.033 0.000 0.745 771 R CB -2.654 27.660 30.300 0.023 0.000 1.185 771 R HN 0.517 nan 8.270 nan 0.000 0.454 772 V N 1.432 121.384 119.914 0.063 0.000 2.572 772 V HA 0.066 4.186 4.120 0.000 0.000 0.291 772 V C 1.428 177.541 176.094 0.031 0.000 1.039 772 V CA -0.156 62.186 62.300 0.071 0.000 1.055 772 V CB 1.337 33.237 31.823 0.130 0.000 0.969 772 V HN 0.138 nan 8.190 nan 0.000 0.482 773 K N 3.258 123.665 120.400 0.011 0.000 2.382 773 K HA 0.033 4.353 4.320 0.000 0.000 0.275 773 K C 1.171 177.763 176.600 -0.013 0.000 1.009 773 K CA -0.349 55.935 56.287 -0.004 0.000 0.970 773 K CB 0.556 33.047 32.500 -0.014 0.000 0.934 773 K HN 0.589 nan 8.250 nan 0.000 0.479 774 K N 2.044 122.439 120.400 -0.010 0.000 2.074 774 K HA -0.178 4.142 4.320 0.000 0.000 0.209 774 K C 1.906 178.490 176.600 -0.027 0.000 1.048 774 K CA 2.107 58.386 56.287 -0.013 0.000 0.926 774 K CB -0.560 31.935 32.500 -0.008 0.000 0.713 774 K HN 0.594 nan 8.250 nan 0.000 0.444 775 S N 0.271 115.954 115.700 -0.029 0.000 2.359 775 S HA -0.175 4.295 4.470 0.000 0.000 0.224 775 S C 1.383 175.948 174.600 -0.059 0.000 1.035 775 S CA 1.850 60.027 58.200 -0.038 0.000 1.018 775 S CB -0.520 62.660 63.200 -0.034 0.000 0.876 775 S HN 0.415 nan 8.310 nan 0.000 0.448 776 D N 0.783 121.142 120.400 -0.068 0.000 2.144 776 D HA -0.037 4.603 4.640 0.000 0.000 0.200 776 D C 2.007 178.215 176.300 -0.154 0.000 0.978 776 D CA 0.906 54.838 54.000 -0.112 0.000 0.833 776 D CB -0.264 40.474 40.800 -0.104 0.000 0.961 776 D HN 0.380 nan 8.370 nan 0.000 0.470 777 M N 0.490 120.026 119.600 -0.106 0.000 2.159 777 M HA -0.088 4.393 4.480 0.000 0.000 0.263 777 M C 1.887 178.134 176.300 -0.089 0.000 1.063 777 M CA 1.192 56.433 55.300 -0.098 0.000 1.110 777 M CB -0.746 31.833 32.600 -0.036 0.000 1.374 777 M HN 0.116 nan 8.290 nan 0.000 0.411 778 E N 0.052 120.211 120.200 -0.069 0.000 2.072 778 E HA -0.134 4.216 4.350 0.000 0.000 0.190 778 E C 2.068 178.628 176.600 -0.067 0.000 0.982 778 E CA 0.855 57.222 56.400 -0.055 0.000 0.803 778 E CB 0.007 29.683 29.700 -0.040 0.000 0.755 778 E HN 0.495 nan 8.360 nan 0.000 0.453 779 K N 0.628 120.977 120.400 -0.085 0.000 2.097 779 K HA -0.093 4.227 4.320 0.000 0.000 0.205 779 K C 2.204 178.738 176.600 -0.109 0.000 1.050 779 K CA 0.802 57.036 56.287 -0.088 0.000 0.938 779 K CB -0.074 32.369 32.500 -0.095 0.000 0.718 779 K HN 0.107 nan 8.250 nan 0.000 0.442 780 L N 0.466 121.591 121.223 -0.165 0.000 2.056 780 L HA -0.169 4.171 4.340 0.000 0.000 0.207 780 L C 2.590 179.391 176.870 -0.114 0.000 1.078 780 L CA 1.072 55.789 54.840 -0.204 0.000 0.749 780 L CB -0.541 41.286 42.059 -0.386 0.000 0.901 780 L HN 0.191 nan 8.230 nan 0.000 0.433 781 A N 0.093 122.862 122.820 -0.085 0.000 1.902 781 A HA -0.204 4.116 4.320 0.000 0.000 0.217 781 A C 2.329 179.895 177.584 -0.030 0.000 1.181 781 A CA 1.595 53.606 52.037 -0.043 0.000 0.623 781 A CB -0.296 18.684 19.000 -0.032 0.000 0.818 781 A HN 0.305 nan 8.150 nan 0.000 0.443 782 K N -0.379 120.000 120.400 -0.035 0.000 2.025 782 K HA -0.028 4.292 4.320 0.000 0.000 0.207 782 K C 2.363 178.954 176.600 -0.015 0.000 1.049 782 K CA 1.177 57.450 56.287 -0.023 0.000 0.933 782 K CB -0.294 32.191 32.500 -0.026 0.000 0.714 782 K HN 0.430 nan 8.250 nan 0.000 0.438 783 A N 1.129 123.935 122.820 -0.024 0.000 1.854 783 A HA -0.132 4.188 4.320 0.000 0.000 0.214 783 A C 2.304 179.889 177.584 0.001 0.000 1.192 783 A CA 2.101 54.131 52.037 -0.012 0.000 0.611 783 A CB -1.021 17.963 19.000 -0.027 0.000 0.832 783 A HN 0.465 nan 8.150 nan 0.000 0.442 784 T N -4.079 110.470 114.554 -0.008 0.000 3.023 784 T HA 0.339 4.690 4.350 0.000 0.000 0.266 784 T C 1.465 176.176 174.700 0.018 0.000 1.093 784 T CA 1.277 63.383 62.100 0.010 0.000 1.129 784 T CB -0.249 68.625 68.868 0.010 0.000 0.899 784 T HN 1.806 nan 8.240 nan 0.000 0.491 785 G N 1.366 110.173 108.800 0.011 0.000 2.137 785 G HA2 0.001 3.961 3.960 0.000 0.000 0.237 785 G HA3 0.001 3.961 3.960 0.000 0.000 0.237 785 G C 0.210 175.118 174.900 0.014 0.000 1.002 785 G CA -0.025 45.084 45.100 0.014 0.000 0.702 785 G HN 1.179 nan 8.290 nan 0.000 0.515 786 A N -0.378 122.449 122.820 0.012 0.000 2.371 786 A HA 0.637 4.958 4.320 0.000 0.000 0.257 786 A C 0.374 177.965 177.584 0.012 0.000 1.089 786 A CA 0.284 52.332 52.037 0.019 0.000 0.794 786 A CB 0.520 19.537 19.000 0.028 0.000 1.029 786 A HN 0.749 nan 8.150 nan 0.000 0.488 787 N N 1.512 120.223 118.700 0.018 0.000 2.444 787 N HA 0.366 5.106 4.740 0.000 0.000 0.262 787 N C -0.912 174.608 175.510 0.017 0.000 0.974 787 N CA -0.348 52.710 53.050 0.013 0.000 0.933 787 N CB 1.225 39.720 38.487 0.013 0.000 1.137 787 N HN 0.286 nan 8.380 nan 0.000 0.498 788 V N 4.874 124.794 119.914 0.011 0.000 2.485 788 V HA 0.134 4.255 4.120 0.000 0.000 0.287 788 V C 0.387 176.491 176.094 0.016 0.000 1.022 788 V CA -0.007 62.301 62.300 0.015 0.000 1.067 788 V CB -0.148 31.679 31.823 0.006 0.000 0.967 788 V HN 0.514 nan 8.190 nan 0.000 0.479 789 I N 4.063 124.645 120.570 0.021 0.000 2.441 789 I HA 0.446 4.616 4.170 0.000 0.000 0.295 789 I C 0.970 177.098 176.117 0.019 0.000 0.994 789 I CA -0.367 60.944 61.300 0.019 0.000 1.144 789 I CB 1.378 39.390 38.000 0.020 0.000 1.314 789 I HN 0.629 nan 8.210 nan 0.000 0.445 790 A N 5.515 128.344 122.820 0.014 0.000 1.832 790 A HA 0.310 4.630 4.320 0.000 0.000 0.214 790 A C 1.148 178.740 177.584 0.014 0.000 1.204 790 A CA 1.051 53.096 52.037 0.014 0.000 0.606 790 A CB -0.257 18.749 19.000 0.010 0.000 0.849 790 A HN 0.731 nan 8.150 nan 0.000 0.445 791 A N -0.739 122.089 122.820 0.013 0.000 2.309 791 A HA 0.609 4.929 4.320 0.000 0.000 0.298 791 A C 0.864 178.456 177.584 0.013 0.000 1.165 791 A CA -0.538 51.506 52.037 0.012 0.000 0.821 791 A CB 0.132 19.137 19.000 0.009 0.000 1.102 791 A HN 0.399 nan 8.150 nan 0.000 0.500 792 I N 2.002 122.580 120.570 0.013 0.000 2.264 792 I HA -0.322 3.848 4.170 0.000 0.000 0.248 792 I C 2.756 178.879 176.117 0.010 0.000 1.111 792 I CA 1.758 63.066 61.300 0.014 0.000 1.382 792 I CB -0.245 37.763 38.000 0.013 0.000 1.060 792 I HN 0.759 nan 8.210 nan 0.000 0.418 793 A N 0.663 123.488 122.820 0.008 0.000 1.972 793 A HA -0.154 4.166 4.320 0.000 0.000 0.219 793 A C 2.482 180.069 177.584 0.006 0.000 1.169 793 A CA 1.829 53.869 52.037 0.005 0.000 0.635 793 A CB -0.687 18.315 19.000 0.004 0.000 0.810 793 A HN 0.449 nan 8.150 nan 0.000 0.446 794 A N -1.081 121.743 122.820 0.008 0.000 2.066 794 A HA 0.268 4.588 4.320 0.000 0.000 0.218 794 A C 1.020 178.610 177.584 0.010 0.000 1.157 794 A CA 0.364 52.406 52.037 0.008 0.000 0.670 794 A CB -0.498 18.507 19.000 0.009 0.000 0.804 794 A HN 0.579 nan 8.150 nan 0.000 0.453 795 L N 1.879 123.109 121.223 0.012 0.000 2.534 795 L HA 0.291 4.631 4.340 0.000 0.000 0.271 795 L C 0.473 177.350 176.870 0.012 0.000 1.178 795 L CA 0.573 55.422 54.840 0.015 0.000 0.907 795 L CB 0.237 42.306 42.059 0.018 0.000 1.164 795 L HN 0.361 nan 8.230 nan 0.000 0.482 796 S N 3.446 119.154 115.700 0.013 0.000 2.709 796 S HA 0.792 5.262 4.470 0.000 0.000 0.302 796 S C 0.878 175.487 174.600 0.014 0.000 1.127 796 S CA -0.351 57.856 58.200 0.012 0.000 0.905 796 S CB 1.293 64.499 63.200 0.010 0.000 1.151 796 S HN 0.808 nan 8.310 nan 0.000 0.510 797 A N 0.446 123.273 122.820 0.013 0.000 1.972 797 A HA -0.066 4.254 4.320 0.000 0.000 0.219 797 A C 2.026 179.620 177.584 0.016 0.000 1.169 797 A CA 1.252 53.298 52.037 0.014 0.000 0.635 797 A CB -0.879 18.128 19.000 0.012 0.000 0.810 797 A HN 0.734 nan 8.150 nan 0.000 0.446 798 Q N 0.126 119.935 119.800 0.014 0.000 2.437 798 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 798 Q C 0.500 176.509 176.000 0.016 0.000 0.972 798 Q CA 1.012 56.824 55.803 0.014 0.000 0.903 798 Q CB -0.211 28.534 28.738 0.011 0.000 0.967 798 Q HN 0.662 nan 8.270 nan 0.000 0.486 799 D N -0.212 120.199 120.400 0.018 0.000 2.350 799 D HA 0.081 4.721 4.640 0.000 0.000 0.213 799 D C 0.403 176.719 176.300 0.026 0.000 1.031 799 D CA 0.079 54.091 54.000 0.020 0.000 0.861 799 D CB 0.646 41.458 40.800 0.020 0.000 0.926 799 D HN 0.199 nan 8.370 nan 0.000 0.520 800 L N 0.929 122.169 121.223 0.028 0.000 2.349 800 L HA 0.369 4.709 4.340 0.000 0.000 0.275 800 L C 1.207 178.098 176.870 0.036 0.000 1.115 800 L CA -0.461 54.400 54.840 0.036 0.000 0.820 800 L CB 1.245 43.324 42.059 0.033 0.000 1.135 800 L HN -0.137 nan 8.230 nan 0.000 0.445 801 G N 1.293 110.120 108.800 0.044 0.000 2.488 801 G HA2 0.437 4.397 3.960 0.000 0.000 0.318 801 G HA3 0.437 4.397 3.960 0.000 0.000 0.318 801 G C -1.148 173.779 174.900 0.046 0.000 1.188 801 G CA -0.478 44.646 45.100 0.041 0.000 0.944 801 G HN 0.538 nan 8.290 nan 0.000 0.495 802 D N -0.279 120.145 120.400 0.040 0.000 2.350 802 D HA 0.615 5.255 4.640 0.000 0.000 0.245 802 D C -0.336 175.988 176.300 0.039 0.000 1.036 802 D CA 0.047 54.070 54.000 0.039 0.000 0.848 802 D CB 2.115 42.934 40.800 0.032 0.000 1.307 802 D HN 0.578 nan 8.370 nan 0.000 0.469 803 A N 0.383 123.229 122.820 0.043 0.000 2.455 803 A HA 0.618 4.939 4.320 0.000 0.000 0.300 803 A C 0.859 178.463 177.584 0.034 0.000 1.040 803 A CA -0.434 51.629 52.037 0.043 0.000 0.697 803 A CB 1.712 20.752 19.000 0.067 0.000 1.265 803 A HN 0.504 nan 8.150 nan 0.000 0.407 804 G N 0.312 109.126 108.800 0.023 0.000 2.394 804 G HA2 0.309 4.270 3.960 0.000 0.000 0.215 804 G HA3 0.309 4.270 3.960 0.000 0.000 0.215 804 G C 0.304 175.217 174.900 0.023 0.000 1.165 804 G CA 1.570 46.679 45.100 0.015 0.000 0.784 804 G HN 1.136 nan 8.290 nan 0.000 0.535 805 L N 0.273 121.517 121.223 0.035 0.000 2.470 805 L HA 0.657 4.997 4.340 0.000 0.000 0.268 805 L C -1.311 175.602 176.870 0.072 0.000 0.964 805 L CA -0.852 54.013 54.840 0.042 0.000 0.839 805 L CB 2.548 44.624 42.059 0.029 0.000 1.276 805 L HN -0.126 nan 8.230 nan 0.000 0.403 806 V N 4.604 124.563 119.914 0.075 0.000 2.407 806 V HA 0.649 4.769 4.120 0.000 0.000 0.291 806 V C -0.517 175.631 176.094 0.089 0.000 1.018 806 V CA -0.459 61.906 62.300 0.107 0.000 0.842 806 V CB 1.478 33.368 31.823 0.110 0.000 0.996 806 V HN 0.833 nan 8.190 nan 0.000 0.426 807 E N 3.068 123.343 120.200 0.125 0.000 2.321 807 E HA 0.381 4.731 4.350 0.000 0.000 0.278 807 E C -1.102 175.590 176.600 0.153 0.000 0.902 807 E CA -0.661 55.796 56.400 0.095 0.000 0.758 807 E CB 2.276 32.003 29.700 0.045 0.000 1.213 807 E HN 0.764 nan 8.360 nan 0.000 0.426 808 E N 4.224 124.485 120.200 0.102 0.000 2.152 808 E HA 0.245 4.595 4.350 0.000 0.000 0.285 808 E C -0.906 175.755 176.600 0.102 0.000 1.043 808 E CA -0.188 56.283 56.400 0.118 0.000 0.839 808 E CB 0.669 30.405 29.700 0.060 0.000 1.069 808 E HN 0.336 nan 8.360 nan 0.000 0.399 809 R N 3.574 124.180 120.500 0.177 0.000 2.744 809 R HA 0.393 4.733 4.340 0.000 0.000 0.279 809 R C -0.795 175.597 176.300 0.154 0.000 0.977 809 R CA -0.965 55.194 56.100 0.099 0.000 0.906 809 R CB 1.946 32.198 30.300 -0.079 0.000 1.197 809 R HN 0.331 nan 8.270 nan 0.000 0.463 810 K N 2.317 122.765 120.400 0.080 0.000 2.234 810 K HA 0.387 4.707 4.320 0.000 0.000 0.277 810 K C -0.509 176.141 176.600 0.084 0.000 1.038 810 K CA -0.500 55.834 56.287 0.078 0.000 0.888 810 K CB 1.037 33.562 32.500 0.040 0.000 1.091 810 K HN 0.258 nan 8.250 nan 0.000 0.467 811 I N 2.641 123.276 120.570 0.108 0.000 2.359 811 I HA 0.066 4.236 4.170 0.000 0.000 0.284 811 I C 0.136 176.288 176.117 0.059 0.000 1.018 811 I CA -0.284 61.076 61.300 0.100 0.000 1.173 811 I CB 0.682 38.774 38.000 0.153 0.000 1.326 811 I HN 0.685 nan 8.210 nan 0.000 0.462 812 S N 4.628 120.352 115.700 0.041 0.000 3.587 812 S HA -0.195 4.275 4.470 0.000 0.000 0.337 812 S C 1.336 175.949 174.600 0.022 0.000 1.119 812 S CA 1.131 59.346 58.200 0.026 0.000 0.976 812 S CB -1.226 61.988 63.200 0.023 0.000 0.922 812 S HN 1.333 nan 8.310 nan 0.000 0.503 813 G N 0.368 109.183 108.800 0.026 0.000 2.420 813 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 813 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 813 G C -0.379 174.537 174.900 0.027 0.000 1.117 813 G CA 0.062 45.174 45.100 0.021 0.000 0.657 813 G HN 0.597 nan 8.290 nan 0.000 0.512 814 D N 1.667 122.085 120.400 0.030 0.000 2.417 814 D HA 0.424 5.065 4.640 0.000 0.000 0.250 814 D C 0.453 176.782 176.300 0.049 0.000 1.166 814 D CA 0.766 54.785 54.000 0.031 0.000 0.881 814 D CB 1.531 42.345 40.800 0.023 0.000 1.164 814 D HN 0.262 nan 8.370 nan 0.000 0.467 815 S N 3.005 118.731 115.700 0.043 0.000 2.505 815 S HA 0.385 4.855 4.470 0.000 0.000 0.276 815 S C -0.219 174.417 174.600 0.061 0.000 1.274 815 S CA -0.400 57.836 58.200 0.059 0.000 1.053 815 S CB 0.075 63.300 63.200 0.041 0.000 0.919 815 S HN 0.310 nan 8.310 nan 0.000 0.490 816 M N 4.496 124.156 119.600 0.100 0.000 2.593 816 M HA 0.524 5.004 4.480 0.000 0.000 0.290 816 M C -1.127 175.240 176.300 0.113 0.000 1.244 816 M CA -0.610 54.721 55.300 0.053 0.000 0.857 816 M CB 2.173 34.752 32.600 -0.035 0.000 1.738 816 M HN 0.432 nan 8.290 nan 0.000 0.461 817 I N 1.724 122.316 120.570 0.036 0.000 2.339 817 I HA 0.364 4.534 4.170 0.000 0.000 0.290 817 I C -1.283 174.841 176.117 0.011 0.000 0.994 817 I CA -0.375 61.000 61.300 0.126 0.000 1.191 817 I CB 0.897 39.002 38.000 0.173 0.000 1.343 817 I HN 0.436 nan 8.210 nan 0.000 0.458 818 F N 5.877 125.864 119.950 0.061 0.000 2.405 818 F HA 0.358 4.885 4.527 0.000 0.000 0.355 818 F C 0.196 176.031 175.800 0.058 0.000 1.121 818 F CA -0.666 57.361 58.000 0.046 0.000 1.112 818 F CB 1.359 40.375 39.000 0.027 0.000 1.126 818 F HN 0.031 nan 8.300 nan 0.000 0.481 819 V N 4.395 124.406 119.914 0.163 0.000 2.275 819 V HA 0.341 4.462 4.120 0.000 0.000 0.272 819 V C -0.313 175.841 176.094 0.100 0.000 1.028 819 V CA -0.548 61.825 62.300 0.122 0.000 0.810 819 V CB 0.318 32.180 31.823 0.066 0.000 1.043 819 V HN 0.831 nan 8.190 nan 0.000 0.453 820 E N 2.808 123.072 120.200 0.107 0.000 2.423 820 E HA 0.655 5.006 4.350 0.000 0.000 0.269 820 E C -0.639 175.989 176.600 0.047 0.000 0.948 820 E CA -0.896 55.553 56.400 0.081 0.000 0.802 820 E CB 1.502 31.265 29.700 0.106 0.000 1.339 820 E HN 0.152 nan 8.360 nan 0.000 0.445 821 E N -1.234 118.981 120.200 0.026 0.000 2.868 821 E HA -0.161 4.190 4.350 0.000 0.000 0.278 821 E C -0.633 175.960 176.600 -0.010 0.000 1.009 821 E CA 0.678 57.079 56.400 0.003 0.000 0.856 821 E CB -2.441 27.262 29.700 0.004 0.000 1.428 821 E HN 0.566 nan 8.360 nan 0.000 0.423 822 C N 0.773 120.069 119.300 -0.007 0.000 2.652 822 C HA 0.110 4.570 4.460 0.000 0.000 0.412 822 C C 2.282 177.229 174.990 -0.072 0.000 1.294 822 C CA -0.224 58.783 59.018 -0.018 0.000 2.127 822 C CB 0.548 28.289 27.740 0.001 0.000 2.691 822 C HN 0.354 nan 8.230 nan 0.000 0.615 823 K N 0.584 120.922 120.400 -0.103 0.000 1.978 823 K HA -0.098 4.222 4.320 0.000 0.000 0.214 823 K C 0.405 176.704 176.600 -0.502 0.000 1.049 823 K CA 1.389 57.507 56.287 -0.281 0.000 0.939 823 K CB -0.077 32.303 32.500 -0.201 0.000 0.721 823 K HN 0.689 nan 8.250 nan 0.000 0.441 824 H N 0.143 119.217 119.070 0.008 0.000 2.488 824 H HA 0.235 4.791 4.556 0.000 0.000 0.237 824 H C -2.499 172.831 175.328 0.004 0.000 1.395 824 H CA -1.961 54.090 56.048 0.006 0.000 1.491 824 H CB 0.714 30.478 29.762 0.004 0.000 1.567 824 H HN 0.193 nan 8.280 nan 0.000 0.508 825 P HA 0.112 nan 4.420 nan 0.000 0.271 825 P C 0.309 177.636 177.300 0.045 0.000 1.218 825 P CA -0.457 62.669 63.100 0.042 0.000 0.780 825 P CB 1.831 33.543 31.700 0.020 0.000 0.901 826 K N 0.379 120.794 120.400 0.026 0.000 2.358 826 K HA 0.453 4.773 4.320 0.000 0.000 0.200 826 K C 0.276 176.879 176.600 0.005 0.000 1.030 826 K CA 0.059 56.356 56.287 0.018 0.000 1.097 826 K CB 0.685 33.192 32.500 0.012 0.000 0.862 826 K HN 0.556 nan 8.250 nan 0.000 0.534 827 A N 0.421 123.241 122.820 0.001 0.000 2.486 827 A HA 0.679 4.999 4.320 0.000 0.000 0.300 827 A C -0.944 176.636 177.584 -0.006 0.000 1.048 827 A CA -0.777 51.254 52.037 -0.009 0.000 0.696 827 A CB 1.260 20.245 19.000 -0.024 0.000 1.278 827 A HN -0.011 nan 8.150 nan 0.000 0.405 828 V N -1.251 118.659 119.914 -0.007 0.000 3.074 828 V HA 0.973 5.093 4.120 0.000 0.000 0.314 828 V C -0.406 175.682 176.094 -0.011 0.000 1.117 828 V CA -0.591 61.708 62.300 -0.002 0.000 1.014 828 V CB 1.672 33.499 31.823 0.006 0.000 1.057 828 V HN 0.876 nan 8.190 nan 0.000 0.438 829 T N 3.602 118.152 114.554 -0.006 0.000 2.848 829 T HA 0.548 4.899 4.350 0.000 0.000 0.285 829 T C -0.595 174.106 174.700 0.002 0.000 0.995 829 T CA -0.229 61.861 62.100 -0.016 0.000 0.970 829 T CB 1.431 70.273 68.868 -0.043 0.000 0.976 829 T HN 0.949 nan 8.240 nan 0.000 0.441 830 M N 4.595 124.193 119.600 -0.003 0.000 2.066 830 M HA 0.500 4.981 4.480 0.000 0.000 0.340 830 M C -1.308 174.995 176.300 0.007 0.000 1.053 830 M CA -0.797 54.508 55.300 0.007 0.000 0.983 830 M CB 0.397 33.000 32.600 0.005 0.000 1.520 830 M HN 0.524 nan 8.290 nan 0.000 0.428 831 L N 6.964 128.201 121.223 0.023 0.000 2.261 831 L HA 0.472 4.812 4.340 0.000 0.000 0.289 831 L C -0.992 175.894 176.870 0.027 0.000 1.059 831 L CA -0.386 54.471 54.840 0.028 0.000 0.816 831 L CB 0.507 42.606 42.059 0.068 0.000 1.191 831 L HN 0.743 nan 8.230 nan 0.000 0.431 832 I N 5.648 126.227 120.570 0.016 0.000 2.325 832 I HA 0.324 4.494 4.170 0.000 0.000 0.291 832 I C 0.191 176.318 176.117 0.016 0.000 1.019 832 I CA -0.301 61.008 61.300 0.015 0.000 1.302 832 I CB 0.881 38.886 38.000 0.008 0.000 1.401 832 I HN 0.588 nan 8.210 nan 0.000 0.485 833 R N 3.955 124.467 120.500 0.019 0.000 2.828 833 R HA 0.899 5.239 4.340 0.000 0.000 0.264 833 R C -0.321 175.988 176.300 0.015 0.000 1.022 833 R CA -0.990 55.121 56.100 0.018 0.000 1.021 833 R CB 2.242 32.555 30.300 0.022 0.000 1.163 833 R HN 0.828 nan 8.270 nan 0.000 0.494 834 G N -0.730 108.079 108.800 0.014 0.000 2.340 834 G HA2 0.036 3.996 3.960 0.000 0.000 0.298 834 G HA3 0.036 3.996 3.960 0.000 0.000 0.298 834 G C 0.001 174.910 174.900 0.014 0.000 1.498 834 G CA -0.680 44.429 45.100 0.015 0.000 0.847 834 G HN 0.400 nan 8.290 nan 0.000 0.594 835 T N 0.366 114.930 114.554 0.017 0.000 2.915 835 T HA 0.180 4.530 4.350 0.000 0.000 0.269 835 T C 0.903 175.614 174.700 0.019 0.000 1.071 835 T CA 2.004 64.114 62.100 0.018 0.000 1.132 835 T CB -0.147 68.733 68.868 0.021 0.000 0.878 835 T HN 0.666 nan 8.240 nan 0.000 0.479 836 T N -0.048 114.519 114.554 0.022 0.000 2.894 836 T HA 0.298 4.648 4.350 0.000 0.000 0.309 836 T C 0.614 175.310 174.700 -0.006 0.000 1.208 836 T CA -0.740 61.371 62.100 0.018 0.000 1.016 836 T CB 2.679 71.583 68.868 0.059 0.000 1.192 836 T HN -0.082 nan 8.240 nan 0.000 0.491 837 E N 0.751 120.909 120.200 -0.069 0.000 2.070 837 E HA -0.224 4.126 4.350 0.000 0.000 0.197 837 E C 1.631 178.149 176.600 -0.138 0.000 1.004 837 E CA 1.943 58.260 56.400 -0.140 0.000 0.805 837 E CB -0.127 29.428 29.700 -0.243 0.000 0.744 837 E HN 0.630 nan 8.360 nan 0.000 0.451 838 H N -0.806 118.267 119.070 0.005 0.000 2.456 838 H HA -0.048 4.508 4.556 0.000 0.000 0.296 838 H C 2.129 177.460 175.328 0.005 0.000 1.079 838 H CA 1.407 57.458 56.048 0.004 0.000 1.322 838 H CB -0.080 29.684 29.762 0.004 0.000 1.388 838 H HN 0.134 nan 8.280 nan 0.000 0.538 839 V N 1.943 121.923 119.914 0.110 0.000 2.346 839 V HA -0.186 3.934 4.120 0.000 0.000 0.244 839 V C 2.664 178.782 176.094 0.041 0.000 1.037 839 V CA 1.594 63.933 62.300 0.066 0.000 1.029 839 V CB -0.483 31.369 31.823 0.049 0.000 0.663 839 V HN 0.404 nan 8.190 nan 0.000 0.454 840 I N -1.648 118.936 120.570 0.023 0.000 2.830 840 I HA -0.088 4.082 4.170 0.000 0.000 0.263 840 I C 2.077 178.200 176.117 0.010 0.000 1.230 840 I CA 1.427 62.735 61.300 0.012 0.000 1.480 840 I CB -0.544 37.457 38.000 0.001 0.000 1.095 840 I HN 0.307 nan 8.210 nan 0.000 0.455 841 E N 1.372 121.581 120.200 0.015 0.000 2.072 841 E HA -0.194 4.156 4.350 0.000 0.000 0.190 841 E C 2.093 178.711 176.600 0.030 0.000 0.982 841 E CA 0.927 57.340 56.400 0.020 0.000 0.803 841 E CB -0.116 29.602 29.700 0.031 0.000 0.755 841 E HN 0.497 nan 8.360 nan 0.000 0.453 842 E N 1.049 121.274 120.200 0.041 0.000 2.153 842 E HA -0.150 4.200 4.350 0.000 0.000 0.194 842 E C 2.059 178.675 176.600 0.026 0.000 0.988 842 E CA 0.827 57.248 56.400 0.035 0.000 0.811 842 E CB 0.214 29.938 29.700 0.039 0.000 0.746 842 E HN 0.088 nan 8.360 nan 0.000 0.466 843 V N 1.236 121.164 119.914 0.023 0.000 2.379 843 V HA -0.170 3.951 4.120 0.000 0.000 0.245 843 V C 2.626 178.728 176.094 0.014 0.000 1.044 843 V CA 1.495 63.806 62.300 0.018 0.000 1.036 843 V CB -0.807 31.026 31.823 0.017 0.000 0.664 843 V HN 0.333 nan 8.190 nan 0.000 0.453 844 A N 0.589 123.417 122.820 0.012 0.000 1.940 844 A HA -0.278 4.042 4.320 0.000 0.000 0.219 844 A C 2.309 179.899 177.584 0.009 0.000 1.176 844 A CA 2.330 54.372 52.037 0.008 0.000 0.631 844 A CB -0.499 18.504 19.000 0.004 0.000 0.814 844 A HN 0.463 nan 8.150 nan 0.000 0.446 845 R N 0.054 120.561 120.500 0.012 0.000 2.090 845 R HA 0.095 4.435 4.340 0.000 0.000 0.228 845 R C 2.139 178.447 176.300 0.013 0.000 1.110 845 R CA 1.757 57.864 56.100 0.012 0.000 0.973 845 R CB -0.944 29.365 30.300 0.015 0.000 0.869 845 R HN 0.361 nan 8.270 nan 0.000 0.440 846 A N 0.309 123.138 122.820 0.015 0.000 1.883 846 A HA -0.144 4.176 4.320 0.000 0.000 0.217 846 A C 2.189 179.780 177.584 0.013 0.000 1.186 846 A CA 2.104 54.150 52.037 0.016 0.000 0.624 846 A CB -0.986 18.025 19.000 0.018 0.000 0.822 846 A HN 0.328 nan 8.150 nan 0.000 0.444 847 V N -2.309 117.612 119.914 0.011 0.000 3.041 847 V HA -0.077 4.043 4.120 0.000 0.000 0.260 847 V C 1.852 177.950 176.094 0.007 0.000 1.105 847 V CA 2.183 64.488 62.300 0.009 0.000 1.125 847 V CB -0.668 31.160 31.823 0.007 0.000 0.730 847 V HN 0.422 nan 8.190 nan 0.000 0.479 848 D N 1.356 121.760 120.400 0.007 0.000 2.123 848 D HA -0.196 4.444 4.640 0.000 0.000 0.196 848 D C 1.815 178.119 176.300 0.006 0.000 0.992 848 D CA 1.909 55.912 54.000 0.005 0.000 0.833 848 D CB -0.166 40.637 40.800 0.005 0.000 0.954 848 D HN 0.554 nan 8.370 nan 0.000 0.455 849 D N -0.486 119.919 120.400 0.008 0.000 2.183 849 D HA 0.017 4.657 4.640 0.000 0.000 0.205 849 D C 1.952 178.258 176.300 0.009 0.000 0.962 849 D CA 0.970 54.975 54.000 0.009 0.000 0.849 849 D CB -0.185 40.621 40.800 0.011 0.000 0.978 849 D HN 0.245 nan 8.370 nan 0.000 0.488 850 A N 1.061 123.887 122.820 0.010 0.000 1.877 850 A HA -0.135 4.185 4.320 0.000 0.000 0.216 850 A C 2.385 179.973 177.584 0.007 0.000 1.186 850 A CA 1.182 53.224 52.037 0.009 0.000 0.620 850 A CB -0.879 18.126 19.000 0.009 0.000 0.822 850 A HN 0.169 nan 8.150 nan 0.000 0.443 851 V N -0.060 119.857 119.914 0.006 0.000 2.759 851 V HA -0.059 4.061 4.120 0.000 0.000 0.256 851 V C 2.315 178.411 176.094 0.004 0.000 1.080 851 V CA 2.056 64.359 62.300 0.004 0.000 1.101 851 V CB -0.650 31.175 31.823 0.003 0.000 0.698 851 V HN 0.571 nan 8.190 nan 0.000 0.477 852 G N -0.116 108.687 108.800 0.005 0.000 2.394 852 G HA2 -0.178 3.782 3.960 0.000 0.000 0.214 852 G HA3 -0.178 3.782 3.960 0.000 0.000 0.214 852 G C 1.626 176.530 174.900 0.006 0.000 1.176 852 G CA 1.363 46.466 45.100 0.005 0.000 0.786 852 G HN 0.670 nan 8.290 nan 0.000 0.533 853 V N -1.275 118.644 119.914 0.007 0.000 2.871 853 V HA 0.022 4.142 4.120 0.000 0.000 0.256 853 V C 2.585 178.683 176.094 0.007 0.000 1.082 853 V CA 1.151 63.455 62.300 0.008 0.000 1.105 853 V CB -0.307 31.521 31.823 0.009 0.000 0.713 853 V HN 0.118 nan 8.190 nan 0.000 0.473 854 V N 2.014 121.932 119.914 0.006 0.000 2.379 854 V HA 0.002 4.122 4.120 0.000 0.000 0.245 854 V C 2.903 179.000 176.094 0.005 0.000 1.044 854 V CA 2.118 64.421 62.300 0.005 0.000 1.036 854 V CB -1.270 30.556 31.823 0.005 0.000 0.664 854 V HN 0.604 nan 8.190 nan 0.000 0.453 855 G N -1.070 107.733 108.800 0.005 0.000 2.418 855 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 855 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 855 G C 1.731 176.634 174.900 0.005 0.000 1.158 855 G CA 1.343 46.446 45.100 0.004 0.000 0.771 855 G HN 0.529 nan 8.290 nan 0.000 0.545 856 C N 0.519 119.822 119.300 0.006 0.000 2.429 856 C HA -0.006 4.455 4.460 0.000 0.000 0.277 856 C C 3.218 178.212 174.990 0.007 0.000 1.262 856 C CA 1.495 60.516 59.018 0.006 0.000 1.733 856 C CB -0.981 26.763 27.740 0.007 0.000 2.010 856 C HN 0.430 nan 8.230 nan 0.000 0.483 857 T N 1.189 115.746 114.554 0.007 0.000 2.867 857 T HA -0.045 4.305 4.350 0.000 0.000 0.268 857 T C 1.571 176.274 174.700 0.006 0.000 1.057 857 T CA 1.169 63.273 62.100 0.006 0.000 1.136 857 T CB -0.224 68.647 68.868 0.006 0.000 0.874 857 T HN 0.507 nan 8.240 nan 0.000 0.466 858 I N 0.624 121.197 120.570 0.005 0.000 2.406 858 I HA -0.060 4.110 4.170 0.000 0.000 0.249 858 I C 2.502 178.621 176.117 0.004 0.000 1.122 858 I CA 1.196 62.499 61.300 0.004 0.000 1.431 858 I CB -0.211 37.792 38.000 0.004 0.000 1.087 858 I HN 0.261 nan 8.210 nan 0.000 0.424 859 E N -0.223 119.979 120.200 0.005 0.000 2.230 859 E HA -0.113 4.237 4.350 0.000 0.000 0.192 859 E C 0.258 176.861 176.600 0.006 0.000 0.987 859 E CA 0.507 56.910 56.400 0.005 0.000 0.841 859 E CB 0.259 29.962 29.700 0.005 0.000 0.783 859 E HN 0.197 nan 8.360 nan 0.000 0.481 860 D N -0.639 119.765 120.400 0.006 0.000 2.473 860 D HA 0.136 4.777 4.640 0.000 0.000 0.253 860 D C 0.085 176.390 176.300 0.007 0.000 1.233 860 D CA -0.492 53.512 54.000 0.007 0.000 0.908 860 D CB 1.363 42.168 40.800 0.009 0.000 1.170 860 D HN 0.029 nan 8.370 nan 0.000 0.558 861 G N 3.410 112.214 108.800 0.007 0.000 3.327 861 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 861 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 861 G C 0.471 175.376 174.900 0.008 0.000 1.222 861 G CA -0.257 44.847 45.100 0.007 0.000 0.871 861 G HN 0.168 nan 8.290 nan 0.000 0.525 862 R N 0.608 121.113 120.500 0.010 0.000 2.387 862 R HA 0.560 4.901 4.340 0.000 0.000 0.314 862 R C -0.146 176.161 176.300 0.012 0.000 0.958 862 R CA -0.577 55.530 56.100 0.011 0.000 0.846 862 R CB 1.511 31.819 30.300 0.013 0.000 1.147 862 R HN 0.403 nan 8.270 nan 0.000 0.447 863 I N -1.131 119.447 120.570 0.012 0.000 3.002 863 I HA 0.800 4.970 4.170 0.000 0.000 0.310 863 I C -0.152 175.974 176.117 0.016 0.000 1.087 863 I CA -1.322 59.986 61.300 0.013 0.000 1.017 863 I CB 2.449 40.456 38.000 0.012 0.000 1.226 863 I HN 0.291 nan 8.210 nan 0.000 0.443 864 V N -0.305 119.620 119.914 0.017 0.000 3.130 864 V HA 0.689 4.809 4.120 0.000 0.000 0.310 864 V C 0.110 176.217 176.094 0.022 0.000 1.158 864 V CA -0.533 61.780 62.300 0.021 0.000 1.029 864 V CB 1.238 33.075 31.823 0.023 0.000 1.057 864 V HN 1.040 nan 8.190 nan 0.000 0.436 865 S N 1.295 117.011 115.700 0.027 0.000 2.562 865 S HA 0.652 5.123 4.470 0.000 0.000 0.281 865 S C 0.485 175.105 174.600 0.032 0.000 1.333 865 S CA 0.194 58.413 58.200 0.031 0.000 1.052 865 S CB 0.724 63.946 63.200 0.037 0.000 0.884 865 S HN 1.837 nan 8.310 nan 0.000 0.506 866 G N 0.360 109.179 108.800 0.032 0.000 2.641 866 G HA2 0.571 4.531 3.960 0.000 0.000 0.239 866 G HA3 0.571 4.531 3.960 0.000 0.000 0.239 866 G C 0.843 175.763 174.900 0.034 0.000 1.402 866 G CA -0.594 44.524 45.100 0.030 0.000 1.046 866 G HN 2.041 nan 8.290 nan 0.000 0.565 867 G N -2.115 106.703 108.800 0.031 0.000 2.160 867 G HA2 0.252 4.212 3.960 0.000 0.000 0.251 867 G HA3 0.252 4.212 3.960 0.000 0.000 0.251 867 G C 1.438 176.344 174.900 0.009 0.000 1.008 867 G CA 1.102 46.219 45.100 0.028 0.000 0.724 867 G HN 2.495 nan 8.290 nan 0.000 0.514 868 G N -1.320 107.476 108.800 -0.006 0.000 2.159 868 G HA2 -0.111 3.849 3.960 0.000 0.000 0.256 868 G HA3 -0.111 3.849 3.960 0.000 0.000 0.256 868 G C 1.511 176.384 174.900 -0.045 0.000 0.977 868 G CA 1.698 46.777 45.100 -0.034 0.000 0.652 868 G HN 2.011 nan 8.290 nan 0.000 0.531 869 S N 0.047 115.749 115.700 0.005 0.000 2.370 869 S HA -0.164 4.306 4.470 0.000 0.000 0.226 869 S C 2.778 177.389 174.600 0.018 0.000 1.033 869 S CA 2.761 60.994 58.200 0.055 0.000 1.011 869 S CB -0.547 62.726 63.200 0.123 0.000 0.852 869 S HN 1.394 nan 8.310 nan 0.000 0.457 870 T N -0.431 114.126 114.554 0.006 0.000 2.668 870 T HA -0.030 4.320 4.350 0.000 0.000 0.262 870 T C 1.632 176.301 174.700 -0.052 0.000 1.045 870 T CA 1.512 63.611 62.100 -0.000 0.000 1.152 870 T CB -0.905 67.965 68.868 0.003 0.000 0.864 870 T HN 0.335 nan 8.240 nan 0.000 0.419 871 E N 0.919 121.074 120.200 -0.075 0.000 2.171 871 E HA -0.054 4.296 4.350 0.000 0.000 0.197 871 E C 2.271 178.779 176.600 -0.153 0.000 0.997 871 E CA 0.859 57.194 56.400 -0.108 0.000 0.810 871 E CB -0.769 28.864 29.700 -0.111 0.000 0.738 871 E HN 0.449 nan 8.360 nan 0.000 0.467 872 V N 0.379 120.159 119.914 -0.223 0.000 2.453 872 V HA -0.180 3.940 4.120 0.000 0.000 0.247 872 V C 2.233 178.089 176.094 -0.397 0.000 1.048 872 V CA 1.689 63.772 62.300 -0.361 0.000 1.049 872 V CB -0.364 31.119 31.823 -0.566 0.000 0.672 872 V HN 0.198 nan 8.190 nan 0.000 0.457 873 E N 0.715 120.721 120.200 -0.322 0.000 2.110 873 E HA -0.177 4.173 4.350 0.000 0.000 0.193 873 E C 2.012 178.583 176.600 -0.050 0.000 0.988 873 E CA 1.477 57.867 56.400 -0.018 0.000 0.804 873 E CB -0.393 29.394 29.700 0.145 0.000 0.745 873 E HN 0.553 nan 8.360 nan 0.000 0.458 874 L N -0.118 121.062 121.223 -0.070 0.000 2.056 874 L HA -0.129 4.211 4.340 0.000 0.000 0.207 874 L C 2.623 179.444 176.870 -0.082 0.000 1.078 874 L CA 1.296 56.100 54.840 -0.061 0.000 0.749 874 L CB -0.647 41.395 42.059 -0.027 0.000 0.901 874 L HN 0.175 nan 8.230 nan 0.000 0.433 875 S N -0.299 115.342 115.700 -0.099 0.000 2.370 875 S HA -0.217 4.253 4.470 0.000 0.000 0.226 875 S C 2.132 176.681 174.600 -0.086 0.000 1.033 875 S CA 1.316 59.462 58.200 -0.090 0.000 1.011 875 S CB -0.016 63.120 63.200 -0.107 0.000 0.852 875 S HN 0.213 nan 8.310 nan 0.000 0.457 876 M N 0.984 120.529 119.600 -0.091 0.000 2.067 876 M HA 0.014 4.494 4.480 0.000 0.000 0.260 876 M C 2.161 178.386 176.300 -0.124 0.000 1.069 876 M CA 1.494 56.753 55.300 -0.068 0.000 1.117 876 M CB -1.116 31.477 32.600 -0.011 0.000 1.334 876 M HN 0.240 nan 8.290 nan 0.000 0.407 877 K N 0.328 120.607 120.400 -0.202 0.000 2.116 877 K HA 0.086 4.406 4.320 0.000 0.000 0.203 877 K C 2.075 178.218 176.600 -0.761 0.000 1.052 877 K CA 0.865 56.883 56.287 -0.448 0.000 0.952 877 K CB -0.438 31.795 32.500 -0.446 0.000 0.729 877 K HN 0.374 nan 8.250 nan 0.000 0.446 878 L N 0.293 121.262 121.223 -0.423 0.000 2.313 878 L HA -0.027 4.314 4.340 0.000 0.000 0.214 878 L C 2.405 179.247 176.870 -0.046 0.000 1.119 878 L CA 0.618 55.331 54.840 -0.211 0.000 0.809 878 L CB -0.204 41.857 42.059 0.004 0.000 0.933 878 L HN 0.097 nan 8.230 nan 0.000 0.449 879 R N 0.196 120.657 120.500 -0.065 0.000 2.092 879 R HA -0.138 4.202 4.340 0.000 0.000 0.231 879 R C 2.068 178.381 176.300 0.022 0.000 1.119 879 R CA 1.252 57.349 56.100 -0.005 0.000 0.970 879 R CB -0.120 30.171 30.300 -0.014 0.000 0.864 879 R HN 0.427 nan 8.270 nan 0.000 0.440 880 E N -0.469 119.724 120.200 -0.012 0.000 2.107 880 E HA -0.159 4.191 4.350 0.000 0.000 0.191 880 E C 1.622 178.355 176.600 0.222 0.000 0.982 880 E CA 0.846 57.289 56.400 0.071 0.000 0.809 880 E CB 0.013 29.741 29.700 0.046 0.000 0.756 880 E HN 0.323 nan 8.360 nan 0.000 0.459 881 Y N 0.618 120.934 120.300 0.028 0.000 2.200 881 Y HA -0.103 4.448 4.550 0.000 0.000 0.290 881 Y C 2.416 178.331 175.900 0.024 0.000 1.137 881 Y CA 0.625 58.739 58.100 0.024 0.000 1.163 881 Y CB -1.135 37.340 38.460 0.025 0.000 0.988 881 Y HN 0.030 nan 8.280 nan 0.000 0.518 882 A N 0.279 123.218 122.820 0.199 0.000 1.908 882 A HA -0.173 4.147 4.320 0.000 0.000 0.218 882 A C 2.182 179.819 177.584 0.089 0.000 1.181 882 A CA 1.733 53.843 52.037 0.121 0.000 0.627 882 A CB -0.444 18.616 19.000 0.100 0.000 0.818 882 A HN 0.328 nan 8.150 nan 0.000 0.445 883 E N -0.505 119.748 120.200 0.088 0.000 2.110 883 E HA -0.129 4.222 4.350 0.000 0.000 0.193 883 E C 2.154 178.789 176.600 0.059 0.000 0.988 883 E CA 1.158 57.597 56.400 0.065 0.000 0.804 883 E CB -0.646 29.090 29.700 0.060 0.000 0.745 883 E HN 0.599 nan 8.360 nan 0.000 0.458 884 G N 1.061 109.906 108.800 0.074 0.000 2.403 884 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 884 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 884 G C 1.757 176.674 174.900 0.027 0.000 1.154 884 G CA 0.306 45.434 45.100 0.046 0.000 0.784 884 G HN 0.156 nan 8.290 nan 0.000 0.538 885 I N -0.114 120.478 120.570 0.037 0.000 2.163 885 I HA -0.031 4.140 4.170 0.000 0.000 0.240 885 I C 1.753 177.883 176.117 0.021 0.000 1.081 885 I CA 0.826 62.140 61.300 0.023 0.000 1.353 885 I CB -0.308 37.713 38.000 0.036 0.000 1.054 885 I HN 0.321 nan 8.210 nan 0.000 0.407 886 S N -1.181 114.537 115.700 0.030 0.000 3.633 886 S HA -0.130 4.341 4.470 0.000 0.000 0.637 886 S C 0.507 175.120 174.600 0.020 0.000 2.289 886 S CA 0.834 59.049 58.200 0.025 0.000 2.476 886 S CB -1.398 61.813 63.200 0.018 0.000 0.330 886 S HN 1.410 nan 8.310 nan 0.000 1.787 887 G N 0.756 109.565 108.800 0.016 0.000 2.552 887 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 887 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 887 G C 0.321 175.231 174.900 0.016 0.000 1.234 887 G CA 0.972 46.078 45.100 0.012 0.000 0.944 887 G HN 1.112 nan 8.290 nan 0.000 0.568 888 R N 0.500 121.008 120.500 0.013 0.000 2.210 888 R HA 0.146 4.486 4.340 0.000 0.000 0.203 888 R C 2.488 178.800 176.300 0.020 0.000 1.010 888 R CA 1.103 57.213 56.100 0.017 0.000 1.008 888 R CB -0.065 30.243 30.300 0.013 0.000 0.923 888 R HN 0.707 nan 8.270 nan 0.000 0.469 889 E N 1.191 121.401 120.200 0.017 0.000 2.160 889 E HA -0.260 4.091 4.350 0.000 0.000 0.195 889 E C 1.869 178.495 176.600 0.043 0.000 0.991 889 E CA 1.535 57.947 56.400 0.020 0.000 0.810 889 E CB 0.045 29.751 29.700 0.011 0.000 0.742 889 E HN 0.379 nan 8.360 nan 0.000 0.466 890 Q N 0.813 120.640 119.800 0.045 0.000 2.291 890 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 890 Q C 1.936 177.980 176.000 0.073 0.000 0.970 890 Q CA 1.104 56.944 55.803 0.061 0.000 0.876 890 Q CB -0.356 28.413 28.738 0.052 0.000 0.935 890 Q HN 0.300 nan 8.270 nan 0.000 0.455 891 L N -0.327 120.934 121.223 0.063 0.000 2.072 891 L HA 0.028 4.369 4.340 0.000 0.000 0.205 891 L C 2.286 179.217 176.870 0.102 0.000 1.079 891 L CA 1.105 55.986 54.840 0.069 0.000 0.752 891 L CB -0.479 41.609 42.059 0.048 0.000 0.906 891 L HN 0.438 nan 8.230 nan 0.000 0.436 892 A N -0.775 122.106 122.820 0.101 0.000 1.930 892 A HA -0.150 4.170 4.320 0.000 0.000 0.217 892 A C 2.142 179.913 177.584 0.310 0.000 1.175 892 A CA 1.720 53.855 52.037 0.162 0.000 0.627 892 A CB -0.754 18.266 19.000 0.034 0.000 0.815 892 A HN 0.295 nan 8.150 nan 0.000 0.443 893 V N -0.087 119.953 119.914 0.210 0.000 2.427 893 V HA -0.195 3.926 4.120 0.000 0.000 0.248 893 V C 2.637 178.859 176.094 0.214 0.000 1.051 893 V CA 2.208 64.634 62.300 0.210 0.000 1.048 893 V CB -0.784 31.120 31.823 0.135 0.000 0.666 893 V HN 0.616 nan 8.190 nan 0.000 0.456 894 R N 1.206 121.800 120.500 0.158 0.000 2.081 894 R HA -0.070 4.270 4.340 0.000 0.000 0.235 894 R C 2.150 178.521 176.300 0.119 0.000 1.131 894 R CA 1.877 58.046 56.100 0.115 0.000 0.960 894 R CB -0.911 29.438 30.300 0.081 0.000 0.856 894 R HN 0.434 nan 8.270 nan 0.000 0.436 895 A N -0.473 122.444 122.820 0.162 0.000 1.898 895 A HA -0.122 4.198 4.320 0.000 0.000 0.216 895 A C 2.163 179.826 177.584 0.133 0.000 1.181 895 A CA 1.357 53.488 52.037 0.156 0.000 0.620 895 A CB -0.839 18.291 19.000 0.218 0.000 0.819 895 A HN 0.479 nan 8.150 nan 0.000 0.442 896 F N 0.924 120.894 119.950 0.034 0.000 2.102 896 F HA -0.063 4.465 4.527 0.000 0.000 0.298 896 F C 2.546 178.281 175.800 -0.109 0.000 1.105 896 F CA 1.392 59.293 58.000 -0.164 0.000 1.239 896 F CB -0.375 38.492 39.000 -0.221 0.000 0.991 896 F HN 0.246 nan 8.300 nan 0.000 0.474 897 A N -0.115 122.783 122.820 0.130 0.000 1.902 897 A HA -0.200 4.120 4.320 0.000 0.000 0.217 897 A C 1.895 179.430 177.584 -0.081 0.000 1.181 897 A CA 2.070 54.123 52.037 0.026 0.000 0.623 897 A CB -0.967 18.075 19.000 0.071 0.000 0.818 897 A HN 0.456 nan 8.150 nan 0.000 0.443 898 D N -0.152 120.216 120.400 -0.054 0.000 2.183 898 D HA 0.060 4.700 4.640 0.000 0.000 0.203 898 D C 2.126 178.358 176.300 -0.113 0.000 0.969 898 D CA 1.229 55.189 54.000 -0.066 0.000 0.842 898 D CB -0.357 40.428 40.800 -0.026 0.000 0.957 898 D HN 0.419 nan 8.370 nan 0.000 0.484 899 A N 0.583 123.305 122.820 -0.163 0.000 2.019 899 A HA -0.088 4.232 4.320 0.000 0.000 0.219 899 A C 2.228 179.662 177.584 -0.250 0.000 1.164 899 A CA 0.650 52.562 52.037 -0.207 0.000 0.644 899 A CB -0.663 18.173 19.000 -0.274 0.000 0.805 899 A HN 0.222 nan 8.150 nan 0.000 0.449 900 L N -0.835 120.208 121.223 -0.300 0.000 2.265 900 L HA -0.162 4.178 4.340 0.000 0.000 0.215 900 L C 2.393 179.159 176.870 -0.172 0.000 1.117 900 L CA 1.401 56.083 54.840 -0.263 0.000 0.782 900 L CB -0.414 41.488 42.059 -0.262 0.000 0.914 900 L HN 0.534 nan 8.230 nan 0.000 0.441 901 E N -0.002 120.111 120.200 -0.145 0.000 2.338 901 E HA -0.199 4.151 4.350 0.000 0.000 0.197 901 E C 2.218 178.760 176.600 -0.097 0.000 1.007 901 E CA 0.495 56.828 56.400 -0.111 0.000 0.849 901 E CB 0.155 29.799 29.700 -0.093 0.000 0.774 901 E HN 0.276 nan 8.360 nan 0.000 0.506 902 V N 0.854 120.706 119.914 -0.103 0.000 2.568 902 V HA -0.247 3.873 4.120 0.000 0.000 0.253 902 V C 1.840 177.887 176.094 -0.078 0.000 1.072 902 V CA 1.199 63.447 62.300 -0.086 0.000 1.084 902 V CB -0.276 31.492 31.823 -0.090 0.000 0.676 902 V HN 0.331 nan 8.190 nan 0.000 0.469 903 I N 1.141 121.660 120.570 -0.086 0.000 2.162 903 I HA -0.019 4.151 4.170 0.000 0.000 0.238 903 I C 0.170 176.248 176.117 -0.065 0.000 1.076 903 I CA 1.574 62.829 61.300 -0.074 0.000 1.353 903 I CB -2.838 35.115 38.000 -0.077 0.000 1.063 903 I HN 0.334 nan 8.210 nan 0.000 0.408 904 P HA -0.163 nan 4.420 nan 0.000 0.220 904 P C 1.740 179.007 177.300 -0.054 0.000 1.148 904 P CA 1.470 64.535 63.100 -0.059 0.000 0.803 904 P CB -0.132 31.529 31.700 -0.066 0.000 0.782 905 R N -0.183 120.283 120.500 -0.057 0.000 2.062 905 R HA -0.046 4.294 4.340 0.000 0.000 0.229 905 R C 2.075 178.346 176.300 -0.048 0.000 1.128 905 R CA 1.897 57.966 56.100 -0.050 0.000 0.960 905 R CB -0.733 29.536 30.300 -0.051 0.000 0.855 905 R HN 0.044 nan 8.270 nan 0.000 0.432 906 T N 1.286 115.809 114.554 -0.052 0.000 2.904 906 T HA -0.002 4.348 4.350 0.000 0.000 0.267 906 T C 1.727 176.395 174.700 -0.053 0.000 1.059 906 T CA 0.791 62.861 62.100 -0.050 0.000 1.137 906 T CB -0.003 68.835 68.868 -0.050 0.000 0.879 906 T HN 0.146 nan 8.240 nan 0.000 0.467 907 L N 0.814 122.003 121.223 -0.056 0.000 2.046 907 L HA -0.084 4.257 4.340 0.000 0.000 0.208 907 L C 3.021 179.851 176.870 -0.066 0.000 1.077 907 L CA 1.272 56.074 54.840 -0.063 0.000 0.747 907 L CB -0.616 41.407 42.059 -0.059 0.000 0.896 907 L HN 0.236 nan 8.230 nan 0.000 0.432 908 A N -0.458 122.329 122.820 -0.055 0.000 1.930 908 A HA -0.246 4.074 4.320 0.000 0.000 0.217 908 A C 2.260 179.815 177.584 -0.049 0.000 1.175 908 A CA 1.720 53.726 52.037 -0.050 0.000 0.627 908 A CB -0.475 18.501 19.000 -0.040 0.000 0.815 908 A HN 0.476 nan 8.150 nan 0.000 0.443 909 E N 0.043 120.215 120.200 -0.046 0.000 2.058 909 E HA -0.239 4.112 4.350 0.000 0.000 0.194 909 E C 1.602 178.174 176.600 -0.047 0.000 0.997 909 E CA 1.456 57.830 56.400 -0.042 0.000 0.801 909 E CB -0.155 29.521 29.700 -0.040 0.000 0.746 909 E HN 0.554 nan 8.360 nan 0.000 0.450 910 N N 0.267 118.935 118.700 -0.054 0.000 2.244 910 N HA -0.102 4.638 4.740 0.000 0.000 0.183 910 N C 1.437 176.904 175.510 -0.072 0.000 1.016 910 N CA 1.125 54.139 53.050 -0.060 0.000 0.866 910 N CB -0.283 38.164 38.487 -0.065 0.000 0.980 910 N HN 0.224 nan 8.380 nan 0.000 0.430 911 A N 0.009 122.781 122.820 -0.081 0.000 2.119 911 A HA 0.284 4.605 4.320 0.000 0.000 0.217 911 A C 1.476 179.022 177.584 -0.065 0.000 1.153 911 A CA 1.108 53.090 52.037 -0.093 0.000 0.692 911 A CB -0.454 18.484 19.000 -0.104 0.000 0.799 911 A HN 0.333 nan 8.150 nan 0.000 0.458 912 G N -1.417 107.353 108.800 -0.051 0.000 2.149 912 G HA2 -0.181 3.780 3.960 0.000 0.000 0.235 912 G HA3 -0.181 3.780 3.960 0.000 0.000 0.235 912 G C -0.064 174.817 174.900 -0.031 0.000 1.018 912 G CA 0.271 45.349 45.100 -0.037 0.000 0.728 912 G HN 0.447 nan 8.290 nan 0.000 0.508 913 L N -0.062 121.141 121.223 -0.034 0.000 2.375 913 L HA 0.518 4.858 4.340 0.000 0.000 0.268 913 L C 0.269 177.124 176.870 -0.024 0.000 1.058 913 L CA -1.070 53.754 54.840 -0.027 0.000 0.803 913 L CB 1.057 43.098 42.059 -0.030 0.000 1.212 913 L HN 0.081 nan 8.230 nan 0.000 0.451 914 D N 1.121 121.509 120.400 -0.019 0.000 2.359 914 D HA 0.189 4.829 4.640 0.000 0.000 0.250 914 D C 0.807 177.096 176.300 -0.019 0.000 1.264 914 D CA -0.012 53.978 54.000 -0.018 0.000 0.911 914 D CB 1.637 42.429 40.800 -0.014 0.000 1.056 914 D HN 0.599 nan 8.370 nan 0.000 0.499 915 A N 4.635 127.441 122.820 -0.022 0.000 1.986 915 A HA -0.188 4.132 4.320 0.000 0.000 0.220 915 A C 2.255 179.825 177.584 -0.022 0.000 1.171 915 A CA 0.964 52.986 52.037 -0.025 0.000 0.640 915 A CB -0.391 18.592 19.000 -0.029 0.000 0.811 915 A HN 0.747 nan 8.150 nan 0.000 0.451 916 I N -0.923 119.636 120.570 -0.019 0.000 2.142 916 I HA -0.253 3.917 4.170 0.000 0.000 0.240 916 I C 2.583 178.692 176.117 -0.013 0.000 1.078 916 I CA 1.837 63.127 61.300 -0.016 0.000 1.343 916 I CB -0.350 37.642 38.000 -0.013 0.000 1.046 916 I HN 0.523 nan 8.210 nan 0.000 0.405 917 E N 1.229 121.422 120.200 -0.012 0.000 2.110 917 E HA -0.222 4.128 4.350 0.000 0.000 0.193 917 E C 2.297 178.892 176.600 -0.009 0.000 0.988 917 E CA 1.194 57.589 56.400 -0.009 0.000 0.804 917 E CB 0.196 29.892 29.700 -0.007 0.000 0.745 917 E HN 0.309 nan 8.360 nan 0.000 0.458 918 I N 0.753 121.315 120.570 -0.012 0.000 2.113 918 I HA -0.243 3.928 4.170 0.000 0.000 0.238 918 I C 2.393 178.502 176.117 -0.014 0.000 1.070 918 I CA 0.873 62.165 61.300 -0.012 0.000 1.332 918 I CB -1.086 36.903 38.000 -0.018 0.000 1.044 918 I HN 0.257 nan 8.210 nan 0.000 0.402 919 L N 0.125 121.336 121.223 -0.020 0.000 2.083 919 L HA -0.140 4.200 4.340 0.000 0.000 0.209 919 L C 2.545 179.404 176.870 -0.018 0.000 1.083 919 L CA 1.279 56.104 54.840 -0.025 0.000 0.752 919 L CB -1.000 41.041 42.059 -0.029 0.000 0.899 919 L HN 0.003 nan 8.230 nan 0.000 0.433 920 V N -0.909 118.998 119.914 -0.012 0.000 2.323 920 V HA -0.236 3.884 4.120 0.000 0.000 0.244 920 V C 2.400 178.495 176.094 0.001 0.000 1.041 920 V CA 1.503 63.799 62.300 -0.006 0.000 1.025 920 V CB -0.434 31.385 31.823 -0.005 0.000 0.656 920 V HN 0.397 nan 8.190 nan 0.000 0.451 921 K N -0.389 120.012 120.400 0.002 0.000 2.155 921 K HA -0.053 4.268 4.320 0.000 0.000 0.203 921 K C 2.015 178.624 176.600 0.016 0.000 1.052 921 K CA 0.965 57.257 56.287 0.008 0.000 0.948 921 K CB -0.143 32.360 32.500 0.006 0.000 0.728 921 K HN 0.306 nan 8.250 nan 0.000 0.448 922 V N 1.148 121.071 119.914 0.014 0.000 2.302 922 V HA -0.179 3.942 4.120 0.000 0.000 0.243 922 V C 2.372 178.494 176.094 0.047 0.000 1.036 922 V CA 1.491 63.807 62.300 0.027 0.000 1.020 922 V CB -0.403 31.424 31.823 0.008 0.000 0.657 922 V HN 0.281 nan 8.190 nan 0.000 0.453 923 R N 0.362 120.873 120.500 0.017 0.000 2.081 923 R HA -0.171 4.169 4.340 0.000 0.000 0.235 923 R C 2.257 178.591 176.300 0.057 0.000 1.131 923 R CA 1.773 57.884 56.100 0.018 0.000 0.960 923 R CB -0.447 29.844 30.300 -0.016 0.000 0.856 923 R HN 0.479 nan 8.270 nan 0.000 0.436 924 A N 0.626 123.468 122.820 0.037 0.000 1.898 924 A HA -0.065 4.255 4.320 0.000 0.000 0.216 924 A C 2.350 179.958 177.584 0.040 0.000 1.181 924 A CA 1.592 53.649 52.037 0.033 0.000 0.620 924 A CB -0.763 18.248 19.000 0.018 0.000 0.819 924 A HN 0.538 nan 8.150 nan 0.000 0.442 925 A N -1.196 121.651 122.820 0.044 0.000 1.969 925 A HA -0.142 4.178 4.320 0.000 0.000 0.218 925 A C 1.981 179.590 177.584 0.042 0.000 1.169 925 A CA 2.012 54.071 52.037 0.036 0.000 0.635 925 A CB -0.801 18.219 19.000 0.033 0.000 0.810 925 A HN 0.777 nan 8.150 nan 0.000 0.445 926 H N -0.277 118.788 119.070 -0.008 0.000 2.326 926 H HA 0.083 4.640 4.556 0.001 0.000 0.301 926 H C 2.207 177.529 175.328 -0.011 0.000 1.081 926 H CA 1.874 57.916 56.048 -0.010 0.000 1.334 926 H CB -0.147 29.607 29.762 -0.014 0.000 1.385 926 H HN 0.390 nan 8.280 nan 0.000 0.504 927 A N -0.716 122.171 122.820 0.111 0.000 1.933 927 A HA -0.157 4.163 4.320 0.000 0.000 0.218 927 A C 2.541 180.120 177.584 -0.009 0.000 1.175 927 A CA 1.833 53.904 52.037 0.056 0.000 0.628 927 A CB -0.956 18.082 19.000 0.064 0.000 0.814 927 A HN 0.500 nan 8.150 nan 0.000 0.444 928 S N -0.527 115.166 115.700 -0.011 0.000 2.356 928 S HA -0.077 4.393 4.470 0.000 0.000 0.219 928 S C 1.875 176.451 174.600 -0.040 0.000 1.036 928 S CA 1.131 59.320 58.200 -0.018 0.000 0.965 928 S CB -0.366 62.830 63.200 -0.007 0.000 0.864 928 S HN 0.643 nan 8.310 nan 0.000 0.471 929 N N 0.696 119.362 118.700 -0.055 0.000 2.368 929 N HA 0.247 4.987 4.740 0.000 0.000 0.176 929 N C 1.001 176.446 175.510 -0.108 0.000 1.021 929 N CA 0.943 53.954 53.050 -0.065 0.000 0.888 929 N CB 0.598 39.056 38.487 -0.048 0.000 0.995 929 N HN 0.577 nan 8.380 nan 0.000 0.437 930 G N 1.172 109.851 108.800 -0.200 0.000 2.373 930 G HA2 -0.213 3.747 3.960 0.000 0.000 0.634 930 G HA3 -0.213 3.747 3.960 0.000 0.000 0.634 930 G C -0.019 174.594 174.900 -0.478 0.000 1.267 930 G CA 0.060 44.986 45.100 -0.290 0.000 1.008 930 G HN 0.283 nan 8.290 nan 0.000 0.497 931 N N -0.648 117.834 118.700 -0.362 0.000 2.405 931 N HA 0.063 4.803 4.740 0.000 0.000 0.175 931 N C 1.251 176.739 175.510 -0.036 0.000 1.051 931 N CA 1.260 54.191 53.050 -0.197 0.000 0.899 931 N CB 0.146 38.636 38.487 0.005 0.000 1.000 931 N HN 0.623 nan 8.380 nan 0.000 0.451 932 K N -0.506 119.862 120.400 -0.053 0.000 2.414 932 K HA 0.316 4.637 4.320 0.000 0.000 0.204 932 K C -0.493 176.092 176.600 -0.025 0.000 1.026 932 K CA -0.141 56.135 56.287 -0.020 0.000 1.108 932 K CB 0.490 32.981 32.500 -0.014 0.000 0.855 932 K HN 0.114 nan 8.250 nan 0.000 0.517 933 C N 0.991 120.262 119.300 -0.048 0.000 2.887 933 C HA 0.634 5.094 4.460 0.000 0.000 0.240 933 C C 0.429 175.401 174.990 -0.030 0.000 1.872 933 C CA -0.654 58.341 59.018 -0.038 0.000 1.626 933 C CB -0.784 26.924 27.740 -0.054 0.000 3.115 933 C HN 0.497 nan 8.230 nan 0.000 0.488 934 A N -0.016 122.804 122.820 -0.000 0.000 5.519 934 A HA 0.940 5.260 4.320 0.000 0.000 0.158 934 A C 0.169 177.791 177.584 0.064 0.000 0.860 934 A CA 0.418 52.479 52.037 0.040 0.000 1.134 934 A CB -0.395 18.645 19.000 0.067 0.000 2.248 934 A HN 1.915 nan 8.150 nan 0.000 1.056 935 G N -1.911 106.944 108.800 0.092 0.000 2.814 935 G HA2 0.361 4.322 3.960 0.000 0.000 0.677 935 G HA3 0.361 4.322 3.960 0.000 0.000 0.677 935 G C -0.685 174.242 174.900 0.045 0.000 1.429 935 G CA 0.008 45.149 45.100 0.068 0.000 0.868 935 G HN 2.091 nan 8.290 nan 0.000 0.553 936 L N 0.418 121.660 121.223 0.031 0.000 2.289 936 L HA 0.754 5.094 4.340 0.000 0.000 0.285 936 L C 0.182 177.075 176.870 0.038 0.000 1.049 936 L CA -0.968 53.885 54.840 0.023 0.000 0.804 936 L CB 1.544 43.604 42.059 0.001 0.000 1.195 936 L HN 0.738 nan 8.230 nan 0.000 0.428 937 N N 3.024 121.753 118.700 0.049 0.000 2.546 937 N HA 0.223 4.963 4.740 0.000 0.000 0.238 937 N C 0.804 176.351 175.510 0.061 0.000 0.984 937 N CA -0.220 52.886 53.050 0.092 0.000 0.935 937 N CB 1.141 39.693 38.487 0.110 0.000 1.122 937 N HN 0.530 nan 8.380 nan 0.000 0.510 938 V N 1.525 121.439 119.914 0.000 0.000 2.970 938 V HA -0.004 4.117 4.120 0.000 0.000 0.260 938 V C 1.409 177.408 176.094 -0.159 0.000 1.100 938 V CA 1.229 63.456 62.300 -0.122 0.000 1.122 938 V CB -1.157 30.522 31.823 -0.239 0.000 0.721 938 V HN 0.453 nan 8.190 nan 0.000 0.483 939 F N 2.542 122.489 119.950 -0.004 0.000 2.259 939 F HA -0.038 4.489 4.527 0.001 0.000 0.298 939 F C 2.661 178.459 175.800 -0.003 0.000 1.088 939 F CA 1.847 59.845 58.000 -0.003 0.000 1.358 939 F CB -0.369 38.630 39.000 -0.002 0.000 1.040 939 F HN 0.387 nan 8.300 nan 0.000 0.505 940 T N -4.094 110.560 114.554 0.167 0.000 3.001 940 T HA 0.377 4.728 4.350 0.000 0.000 0.251 940 T C 1.475 176.202 174.700 0.046 0.000 1.040 940 T CA 0.407 62.561 62.100 0.089 0.000 0.985 940 T CB 0.320 69.233 68.868 0.074 0.000 1.011 940 T HN 0.348 nan 8.240 nan 0.000 0.509 941 G N 1.075 109.893 108.800 0.030 0.000 2.248 941 G HA2 0.269 4.229 3.960 0.000 0.000 0.263 941 G HA3 0.269 4.229 3.960 0.000 0.000 0.263 941 G C 0.053 174.957 174.900 0.007 0.000 1.082 941 G CA -0.227 44.875 45.100 0.003 0.000 0.863 941 G HN 1.415 nan 8.290 nan 0.000 0.495 942 A N -1.593 121.236 122.820 0.016 0.000 2.608 942 A HA 0.875 5.195 4.320 0.000 0.000 0.292 942 A C 0.021 177.618 177.584 0.021 0.000 1.066 942 A CA 0.122 52.168 52.037 0.016 0.000 0.676 942 A CB 1.481 20.491 19.000 0.018 0.000 1.277 942 A HN 1.782 nan 8.150 nan 0.000 0.413 943 V N 1.813 121.737 119.914 0.018 0.000 2.599 943 V HA 0.400 4.521 4.120 0.000 0.000 0.300 943 V C 0.008 176.117 176.094 0.026 0.000 1.034 943 V CA 1.008 63.321 62.300 0.023 0.000 1.115 943 V CB 0.451 32.287 31.823 0.021 0.000 0.934 943 V HN 0.916 nan 8.190 nan 0.000 0.485 944 E N 3.795 124.013 120.200 0.031 0.000 2.390 944 E HA 0.376 4.726 4.350 0.000 0.000 0.242 944 E C -1.449 175.167 176.600 0.026 0.000 0.907 944 E CA -0.681 55.736 56.400 0.028 0.000 0.884 944 E CB 0.855 30.576 29.700 0.036 0.000 1.788 944 E HN 0.699 nan 8.360 nan 0.000 0.427 945 D N 1.344 121.757 120.400 0.021 0.000 2.460 945 D HA 0.182 4.822 4.640 0.000 0.000 0.232 945 D C 0.810 177.123 176.300 0.021 0.000 1.079 945 D CA -0.276 53.734 54.000 0.016 0.000 0.864 945 D CB 0.694 41.498 40.800 0.007 0.000 1.048 945 D HN 0.186 nan 8.370 nan 0.000 0.523 946 M N 1.860 121.477 119.600 0.028 0.000 2.175 946 M HA -0.120 4.360 4.480 0.000 0.000 0.264 946 M C 2.305 178.617 176.300 0.020 0.000 1.063 946 M CA 0.667 55.986 55.300 0.031 0.000 1.119 946 M CB -1.126 31.498 32.600 0.040 0.000 1.377 946 M HN 0.526 nan 8.290 nan 0.000 0.415 947 C N 0.672 119.980 119.300 0.015 0.000 2.453 947 C HA -0.157 4.303 4.460 0.000 0.000 0.277 947 C C 2.701 177.692 174.990 0.003 0.000 1.262 947 C CA 1.292 60.315 59.018 0.008 0.000 1.718 947 C CB -0.892 26.851 27.740 0.004 0.000 2.031 947 C HN 0.634 nan 8.230 nan 0.000 0.480 948 E N 0.130 120.331 120.200 0.001 0.000 2.118 948 E HA -0.197 4.154 4.350 0.000 0.000 0.195 948 E C 1.340 177.937 176.600 -0.006 0.000 0.992 948 E CA 1.295 57.693 56.400 -0.002 0.000 0.804 948 E CB -0.182 29.517 29.700 -0.002 0.000 0.741 948 E HN 0.659 nan 8.360 nan 0.000 0.458 949 N N -0.456 118.242 118.700 -0.004 0.000 2.398 949 N HA 0.013 4.753 4.740 0.000 0.000 0.188 949 N C 0.680 176.180 175.510 -0.017 0.000 1.122 949 N CA 0.889 53.931 53.050 -0.013 0.000 0.866 949 N CB 1.022 39.503 38.487 -0.010 0.000 0.970 949 N HN 0.322 nan 8.380 nan 0.000 0.462 950 G N 0.617 109.413 108.800 -0.007 0.000 2.160 950 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 950 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 950 G C 0.001 174.901 174.900 0.001 0.000 1.008 950 G CA 0.017 45.114 45.100 -0.006 0.000 0.724 950 G HN 0.191 nan 8.290 nan 0.000 0.514 951 V N 1.387 121.308 119.914 0.011 0.000 2.276 951 V HA 0.473 4.593 4.120 0.000 0.000 0.249 951 V C 0.855 176.965 176.094 0.027 0.000 1.160 951 V CA 0.173 62.489 62.300 0.027 0.000 1.042 951 V CB 0.443 32.294 31.823 0.046 0.000 1.224 951 V HN 1.041 nan 8.190 nan 0.000 0.496 952 V N 1.524 121.450 119.914 0.021 0.000 2.962 952 V HA 0.787 4.908 4.120 0.000 0.000 0.313 952 V C -0.703 175.403 176.094 0.020 0.000 1.099 952 V CA -0.876 61.436 62.300 0.020 0.000 0.971 952 V CB 2.558 34.390 31.823 0.015 0.000 1.028 952 V HN 0.629 nan 8.190 nan 0.000 0.430 953 E N 2.297 122.508 120.200 0.018 0.000 2.293 953 E HA 0.533 4.883 4.350 0.000 0.000 0.270 953 E C -2.948 173.661 176.600 0.015 0.000 0.879 953 E CA -2.245 54.165 56.400 0.017 0.000 0.756 953 E CB 2.660 32.370 29.700 0.016 0.000 1.208 953 E HN 0.572 nan 8.360 nan 0.000 0.428 954 P HA -0.083 nan 4.420 nan 0.000 0.266 954 P C 0.455 177.763 177.300 0.013 0.000 1.195 954 P CA -0.091 63.016 63.100 0.012 0.000 0.768 954 P CB 0.538 32.245 31.700 0.011 0.000 0.838 955 L N 3.961 125.193 121.223 0.014 0.000 2.079 955 L HA -0.168 4.172 4.340 0.000 0.000 0.210 955 L C 2.282 179.162 176.870 0.016 0.000 1.081 955 L CA 1.939 56.788 54.840 0.016 0.000 0.752 955 L CB -0.844 41.225 42.059 0.017 0.000 0.896 955 L HN 0.217 nan 8.230 nan 0.000 0.433 956 R N -0.781 119.728 120.500 0.014 0.000 2.127 956 R HA -0.127 4.214 4.340 0.000 0.000 0.238 956 R C 2.010 178.319 176.300 0.013 0.000 1.134 956 R CA 1.951 58.059 56.100 0.014 0.000 0.975 956 R CB -1.010 29.297 30.300 0.012 0.000 0.865 956 R HN 0.322 nan 8.270 nan 0.000 0.447 957 V N 1.059 120.980 119.914 0.012 0.000 2.287 957 V HA -0.262 3.858 4.120 0.000 0.000 0.248 957 V C 2.140 178.240 176.094 0.010 0.000 1.053 957 V CA 2.070 64.376 62.300 0.010 0.000 1.027 957 V CB -0.407 31.421 31.823 0.009 0.000 0.646 957 V HN 0.282 nan 8.190 nan 0.000 0.447 958 K N 0.263 120.671 120.400 0.012 0.000 2.186 958 K HA -0.034 4.286 4.320 0.000 0.000 0.202 958 K C 2.268 178.881 176.600 0.021 0.000 1.052 958 K CA 1.635 57.929 56.287 0.012 0.000 0.965 958 K CB -0.684 31.824 32.500 0.013 0.000 0.746 958 K HN 0.723 nan 8.250 nan 0.000 0.457 959 T N -1.332 113.236 114.554 0.024 0.000 2.978 959 T HA -0.080 4.270 4.350 0.000 0.000 0.262 959 T C 2.017 176.734 174.700 0.028 0.000 1.063 959 T CA 0.699 62.817 62.100 0.030 0.000 1.140 959 T CB 0.087 68.970 68.868 0.026 0.000 0.886 959 T HN -0.046 nan 8.240 nan 0.000 0.470 960 Q N 1.897 121.710 119.800 0.022 0.000 2.083 960 Q HA 0.266 4.607 4.340 0.000 0.000 0.198 960 Q C 2.434 178.447 176.000 0.021 0.000 0.969 960 Q CA 1.696 57.511 55.803 0.020 0.000 0.838 960 Q CB -0.981 27.766 28.738 0.015 0.000 0.900 960 Q HN 0.616 nan 8.270 nan 0.000 0.436 961 A N 0.357 123.188 122.820 0.018 0.000 1.917 961 A HA -0.190 4.130 4.320 0.000 0.000 0.219 961 A C 2.121 179.721 177.584 0.028 0.000 1.182 961 A CA 1.684 53.729 52.037 0.013 0.000 0.633 961 A CB -0.807 18.193 19.000 0.001 0.000 0.819 961 A HN 0.487 nan 8.150 nan 0.000 0.448 962 I N -1.002 119.595 120.570 0.045 0.000 2.163 962 I HA -0.255 3.915 4.170 0.000 0.000 0.240 962 I C 2.847 179.008 176.117 0.074 0.000 1.081 962 I CA 1.204 62.555 61.300 0.085 0.000 1.353 962 I CB -0.399 37.661 38.000 0.100 0.000 1.054 962 I HN 0.322 nan 8.210 nan 0.000 0.407 963 Q N 0.548 120.379 119.800 0.050 0.000 2.002 963 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 963 Q C 2.495 178.519 176.000 0.041 0.000 0.988 963 Q CA 2.044 57.871 55.803 0.041 0.000 0.843 963 Q CB -0.539 28.217 28.738 0.030 0.000 0.908 963 Q HN 0.410 nan 8.270 nan 0.000 0.420 964 S N 0.846 116.567 115.700 0.034 0.000 2.356 964 S HA -0.130 4.340 4.470 0.000 0.000 0.223 964 S C 1.974 176.597 174.600 0.037 0.000 1.032 964 S CA 1.181 59.400 58.200 0.030 0.000 1.005 964 S CB -0.309 62.904 63.200 0.022 0.000 0.867 964 S HN 0.523 nan 8.310 nan 0.000 0.449 965 A N 1.520 124.363 122.820 0.038 0.000 1.873 965 A HA 0.140 4.460 4.320 0.000 0.000 0.215 965 A C 2.357 179.983 177.584 0.070 0.000 1.186 965 A CA 1.718 53.778 52.037 0.040 0.000 0.616 965 A CB -1.127 17.885 19.000 0.020 0.000 0.823 965 A HN 0.511 nan 8.150 nan 0.000 0.442 966 A N -0.526 122.351 122.820 0.096 0.000 1.902 966 A HA -0.127 4.193 4.320 0.000 0.000 0.217 966 A C 1.941 179.588 177.584 0.106 0.000 1.181 966 A CA 1.670 53.784 52.037 0.127 0.000 0.623 966 A CB -0.404 18.665 19.000 0.115 0.000 0.818 966 A HN 0.438 nan 8.150 nan 0.000 0.443 967 E N -0.209 120.035 120.200 0.074 0.000 2.150 967 E HA -0.113 4.237 4.350 0.000 0.000 0.193 967 E C 2.293 178.929 176.600 0.059 0.000 0.985 967 E CA 1.190 57.626 56.400 0.060 0.000 0.814 967 E CB -0.493 29.233 29.700 0.043 0.000 0.752 967 E HN 0.556 nan 8.360 nan 0.000 0.466 968 S N 0.431 116.165 115.700 0.057 0.000 2.355 968 S HA -0.126 4.344 4.470 0.000 0.000 0.222 968 S C 2.193 176.830 174.600 0.062 0.000 1.031 968 S CA 2.152 60.382 58.200 0.050 0.000 0.993 968 S CB -0.284 62.939 63.200 0.039 0.000 0.859 968 S HN 0.464 nan 8.310 nan 0.000 0.453 969 T N -0.721 113.883 114.554 0.083 0.000 2.904 969 T HA 0.041 4.391 4.350 0.000 0.000 0.267 969 T C 1.737 176.511 174.700 0.123 0.000 1.059 969 T CA 1.356 63.520 62.100 0.107 0.000 1.137 969 T CB -0.501 68.456 68.868 0.148 0.000 0.879 969 T HN 0.606 nan 8.240 nan 0.000 0.467 970 E N 0.784 121.061 120.200 0.127 0.000 2.051 970 E HA -0.166 4.185 4.350 0.000 0.000 0.192 970 E C 2.253 178.890 176.600 0.062 0.000 0.991 970 E CA 1.167 57.627 56.400 0.101 0.000 0.799 970 E CB -0.301 29.456 29.700 0.094 0.000 0.748 970 E HN 0.581 nan 8.360 nan 0.000 0.449 971 M N 0.487 120.120 119.600 0.056 0.000 2.080 971 M HA -0.202 4.278 4.480 0.000 0.000 0.260 971 M C 2.170 178.495 176.300 0.041 0.000 1.068 971 M CA 1.497 56.823 55.300 0.042 0.000 1.109 971 M CB -0.073 32.550 32.600 0.039 0.000 1.342 971 M HN 0.206 nan 8.290 nan 0.000 0.405 972 L N 0.147 121.399 121.223 0.048 0.000 2.042 972 L HA -0.252 4.088 4.340 0.000 0.000 0.210 972 L C 2.360 179.253 176.870 0.038 0.000 1.076 972 L CA 1.215 56.082 54.840 0.046 0.000 0.749 972 L CB -0.726 41.360 42.059 0.045 0.000 0.893 972 L HN 0.416 nan 8.230 nan 0.000 0.432 973 L N -0.727 120.519 121.223 0.038 0.000 2.191 973 L HA -0.185 4.155 4.340 0.000 0.000 0.212 973 L C 2.685 179.560 176.870 0.008 0.000 1.103 973 L CA 1.048 55.900 54.840 0.019 0.000 0.769 973 L CB -0.419 41.648 42.059 0.013 0.000 0.908 973 L HN 0.218 nan 8.230 nan 0.000 0.438 974 R N -0.338 120.173 120.500 0.017 0.000 2.189 974 R HA -0.000 4.340 4.340 0.000 0.000 0.218 974 R C 0.195 176.503 176.300 0.014 0.000 1.074 974 R CA 0.403 56.512 56.100 0.015 0.000 0.991 974 R CB -0.073 30.239 30.300 0.021 0.000 0.883 974 R HN 0.152 nan 8.270 nan 0.000 0.457 975 I N 2.154 122.736 120.570 0.020 0.000 2.416 975 I HA -0.053 4.118 4.170 0.000 0.000 0.288 975 I C 0.593 176.722 176.117 0.021 0.000 1.051 975 I CA 0.216 61.530 61.300 0.023 0.000 1.375 975 I CB 1.233 39.252 38.000 0.032 0.000 1.407 975 I HN 0.112 nan 8.210 nan 0.000 0.516 976 D N 2.477 122.888 120.400 0.018 0.000 2.500 976 D HA 0.145 4.785 4.640 0.000 0.000 0.217 976 D C -0.262 176.056 176.300 0.030 0.000 1.159 976 D CA -0.001 54.008 54.000 0.016 0.000 0.828 976 D CB 0.314 41.114 40.800 -0.000 0.000 1.039 976 D HN 0.342 nan 8.370 nan 0.000 0.512 977 D N 0.145 120.567 120.400 0.036 0.000 2.738 977 D HA 0.248 4.888 4.640 0.000 0.000 0.218 977 D C -1.657 174.671 176.300 0.046 0.000 1.345 977 D CA -0.523 53.503 54.000 0.044 0.000 0.943 977 D CB 2.023 42.839 40.800 0.027 0.000 1.514 977 D HN -0.183 nan 8.370 nan 0.000 0.585 978 V N 5.162 125.120 119.914 0.073 0.000 2.378 978 V HA 0.513 4.634 4.120 0.000 0.000 0.288 978 V C 0.240 176.378 176.094 0.073 0.000 1.016 978 V CA -0.572 61.766 62.300 0.063 0.000 0.840 978 V CB 1.423 33.284 31.823 0.063 0.000 0.994 978 V HN 0.498 nan 8.190 nan 0.000 0.431 979 I N 4.580 125.171 120.570 0.036 0.000 2.390 979 I HA 0.700 4.870 4.170 0.000 0.000 0.283 979 I C 0.217 176.343 176.117 0.015 0.000 1.016 979 I CA -0.400 60.916 61.300 0.026 0.000 1.151 979 I CB 1.616 39.623 38.000 0.012 0.000 1.293 979 I HN 0.655 nan 8.210 nan 0.000 0.458 980 A N 5.337 128.171 122.820 0.023 0.000 2.304 980 A HA 0.857 5.177 4.320 0.000 0.000 0.314 980 A C 0.002 177.592 177.584 0.010 0.000 1.187 980 A CA -0.515 51.527 52.037 0.009 0.000 0.810 980 A CB 1.103 20.106 19.000 0.005 0.000 1.183 980 A HN 0.752 nan 8.150 nan 0.000 0.487 981 A N 2.047 124.868 122.820 0.002 0.000 2.351 981 A HA 0.546 4.867 4.320 0.000 0.000 0.257 981 A C 0.490 178.076 177.584 0.004 0.000 1.087 981 A CA -0.097 51.941 52.037 0.002 0.000 0.798 981 A CB 0.125 19.124 19.000 -0.001 0.000 1.033 981 A HN 0.925 nan 8.150 nan 0.000 0.488 982 E N 0.000 120.202 120.200 0.004 0.000 2.725 982 E HA 0.000 4.350 4.350 0.000 0.000 0.291 982 E CA 0.000 56.404 56.400 0.006 0.000 0.976 982 E CB 0.000 29.703 29.700 0.006 0.000 0.812 982 E HN 0.000 nan 8.360 nan 0.000 0.440