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 3izn_1_H DATA FIRST_RESID 3438 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 KATGANVITN DATA SEQUENCE IKDLSAQDLG 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 3438 V HA 0.000 nan 4.120 nan 0.000 0.244 3438 V C 0.000 176.086 176.094 -0.014 0.000 1.182 3438 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 3438 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 3439 L N 2.891 124.104 121.223 -0.017 0.000 2.307 3439 L HA 0.564 4.904 4.340 0.000 0.000 0.282 3439 L C -2.217 174.641 176.870 -0.020 0.000 1.051 3439 L CA -1.513 53.316 54.840 -0.020 0.000 0.804 3439 L CB 0.751 42.794 42.059 -0.025 0.000 1.197 3439 L HN 0.164 nan 8.230 nan 0.000 0.431 3440 P HA 0.101 nan 4.420 nan 0.000 0.268 3440 P C -0.739 176.549 177.300 -0.021 0.000 1.204 3440 P CA -0.234 62.856 63.100 -0.017 0.000 0.768 3440 P CB 0.445 32.137 31.700 -0.015 0.000 0.842 3441 E N 2.206 122.395 120.200 -0.019 0.000 2.360 3441 E HA 0.050 4.400 4.350 0.000 0.000 0.269 3441 E C 0.564 177.153 176.600 -0.018 0.000 1.022 3441 E CA 0.123 56.510 56.400 -0.021 0.000 0.887 3441 E CB 0.292 29.981 29.700 -0.018 0.000 0.990 3441 E HN 0.514 nan 8.360 nan 0.000 0.426 3442 N N 1.049 119.737 118.700 -0.019 0.000 2.993 3442 N HA -0.147 4.593 4.740 0.000 0.000 0.171 3442 N C -0.738 174.766 175.510 -0.010 0.000 1.446 3442 N CA 0.703 53.746 53.050 -0.011 0.000 1.542 3442 N CB -0.482 38.001 38.487 -0.007 0.000 1.042 3442 N HN 0.321 nan 8.380 nan 0.000 0.638 3443 M N 1.523 121.113 119.600 -0.016 0.000 2.250 3443 M HA 0.298 4.778 4.480 0.000 0.000 0.344 3443 M C -0.002 176.279 176.300 -0.032 0.000 1.150 3443 M CA 0.334 55.625 55.300 -0.015 0.000 1.147 3443 M CB 0.905 33.495 32.600 -0.018 0.000 1.498 3443 M HN 0.044 nan 8.290 nan 0.000 0.461 3444 K N 1.890 122.279 120.400 -0.018 0.000 2.244 3444 K HA 0.584 4.904 4.320 0.000 0.000 0.260 3444 K C -0.499 176.051 176.600 -0.083 0.000 0.951 3444 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 3444 K CB 2.407 34.933 32.500 0.044 0.000 1.108 3444 K HN 0.529 nan 8.250 nan 0.000 0.433 3445 R N 3.122 123.472 120.500 -0.252 0.000 2.532 3445 R HA 0.321 4.661 4.340 0.000 0.000 0.297 3445 R C -1.605 174.494 176.300 -0.336 0.000 0.984 3445 R CA -0.511 55.491 56.100 -0.164 0.000 0.884 3445 R CB 0.883 31.131 30.300 -0.087 0.000 1.182 3445 R HN 0.550 nan 8.270 nan 0.000 0.442 3446 Y N 3.284 123.588 120.300 0.006 0.000 2.562 3446 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 3446 Y C 0.232 176.132 175.900 0.001 0.000 1.025 3446 Y CA -0.869 57.233 58.100 0.004 0.000 1.082 3446 Y CB 2.437 40.901 38.460 0.008 0.000 1.264 3446 Y HN 0.307 nan 8.280 nan 0.000 0.478 3447 M N 0.541 120.232 119.600 0.152 0.000 2.593 3447 M HA 0.584 5.064 4.480 0.000 0.000 0.290 3447 M C 0.457 176.793 176.300 0.059 0.000 1.244 3447 M CA -0.334 55.012 55.300 0.076 0.000 0.857 3447 M CB 2.472 35.095 32.600 0.039 0.000 1.738 3447 M HN 0.889 nan 8.290 nan 0.000 0.461 3448 G N 2.016 110.832 108.800 0.026 0.000 2.556 3448 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 3448 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 3448 G C 0.505 175.400 174.900 -0.010 0.000 1.177 3448 G CA 0.793 45.892 45.100 -0.001 0.000 0.978 3448 G HN 0.988 nan 8.290 nan 0.000 0.554 3449 R N 0.510 121.002 120.500 -0.014 0.000 2.237 3449 R HA 0.064 4.404 4.340 0.000 0.000 0.219 3449 R C 1.554 177.841 176.300 -0.021 0.000 1.080 3449 R CA 2.066 58.151 56.100 -0.025 0.000 0.995 3449 R CB -0.269 30.017 30.300 -0.024 0.000 0.875 3449 R HN 0.495 nan 8.270 nan 0.000 0.462 3450 D N 1.436 121.844 120.400 0.013 0.000 2.183 3450 D HA 0.007 4.647 4.640 0.000 0.000 0.205 3450 D C 1.960 178.248 176.300 -0.020 0.000 0.962 3450 D CA 1.350 55.358 54.000 0.013 0.000 0.849 3450 D CB -0.012 40.885 40.800 0.160 0.000 0.978 3450 D HN 0.392 nan 8.370 nan 0.000 0.488 3451 A N 1.158 124.019 122.820 0.067 0.000 1.902 3451 A HA -0.183 4.137 4.320 0.000 0.000 0.217 3451 A C 2.141 179.723 177.584 -0.003 0.000 1.181 3451 A CA 1.201 53.282 52.037 0.073 0.000 0.623 3451 A CB -0.285 18.763 19.000 0.080 0.000 0.818 3451 A HN 0.052 nan 8.150 nan 0.000 0.443 3452 Q N -0.722 119.062 119.800 -0.027 0.000 2.123 3452 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 3452 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 3452 Q CA 1.449 57.222 55.803 -0.050 0.000 0.845 3452 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 3452 Q HN 0.769 nan 8.270 nan 0.000 0.439 3453 R N -0.096 120.347 120.500 -0.094 0.000 2.070 3453 R HA -0.081 4.259 4.340 0.000 0.000 0.233 3453 R C 2.167 178.372 176.300 -0.158 0.000 1.137 3453 R CA 1.303 57.333 56.100 -0.117 0.000 0.945 3453 R CB 0.030 30.261 30.300 -0.115 0.000 0.845 3453 R HN 0.132 nan 8.270 nan 0.000 0.430 3454 M N 0.819 120.289 119.600 -0.217 0.000 2.132 3454 M HA -0.105 4.375 4.480 0.000 0.000 0.263 3454 M C 1.732 177.907 176.300 -0.208 0.000 1.065 3454 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 3454 M CB -1.135 31.210 32.600 -0.426 0.000 1.365 3454 M HN 0.165 nan 8.290 nan 0.000 0.411 3455 N N 0.660 119.281 118.700 -0.133 0.000 2.216 3455 N HA 0.002 4.742 4.740 0.000 0.000 0.183 3455 N C 1.850 177.221 175.510 -0.232 0.000 1.017 3455 N CA 1.101 54.065 53.050 -0.143 0.000 0.861 3455 N CB -0.260 38.271 38.487 0.073 0.000 0.986 3455 N HN 0.364 nan 8.380 nan 0.000 0.428 3456 I N 0.317 120.798 120.570 -0.148 0.000 2.252 3456 I HA -0.201 3.969 4.170 0.000 0.000 0.245 3456 I C 1.660 177.688 176.117 -0.148 0.000 1.102 3456 I CA 0.548 61.773 61.300 -0.126 0.000 1.385 3456 I CB -0.092 37.850 38.000 -0.096 0.000 1.064 3456 I HN 0.020 nan 8.210 nan 0.000 0.414 3457 L N 0.855 121.981 121.223 -0.162 0.000 2.127 3457 L HA -0.193 4.147 4.340 0.000 0.000 0.211 3457 L C 2.678 179.449 176.870 -0.166 0.000 1.089 3457 L CA 1.980 56.734 54.840 -0.144 0.000 0.757 3457 L CB -1.247 40.730 42.059 -0.137 0.000 0.899 3457 L HN 0.211 nan 8.230 nan 0.000 0.434 3458 A N -0.667 121.992 122.820 -0.268 0.000 1.908 3458 A HA -0.139 4.181 4.320 0.000 0.000 0.218 3458 A C 2.435 179.918 177.584 -0.168 0.000 1.181 3458 A CA 1.788 53.651 52.037 -0.290 0.000 0.627 3458 A CB -1.289 17.302 19.000 -0.681 0.000 0.818 3458 A HN 0.441 nan 8.150 nan 0.000 0.445 3459 G N -0.940 107.768 108.800 -0.154 0.000 2.402 3459 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 3459 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 3459 G C 1.727 176.588 174.900 -0.064 0.000 1.162 3459 G CA 0.860 45.912 45.100 -0.081 0.000 0.777 3459 G HN 0.450 nan 8.290 nan 0.000 0.539 3460 R N 0.502 120.958 120.500 -0.074 0.000 2.105 3460 R HA -0.024 4.316 4.340 0.000 0.000 0.239 3460 R C 2.510 178.779 176.300 -0.052 0.000 1.135 3460 R CA 1.117 57.183 56.100 -0.058 0.000 0.967 3460 R CB -0.475 29.789 30.300 -0.060 0.000 0.861 3460 R HN 0.456 nan 8.270 nan 0.000 0.442 3461 I N 0.813 121.347 120.570 -0.059 0.000 2.226 3461 I HA -0.307 3.863 4.170 0.000 0.000 0.245 3461 I C 2.215 178.311 176.117 -0.035 0.000 1.100 3461 I CA 0.845 62.117 61.300 -0.046 0.000 1.374 3461 I CB -0.229 37.741 38.000 -0.050 0.000 1.057 3461 I HN 0.113 nan 8.210 nan 0.000 0.413 3462 I N 1.028 121.578 120.570 -0.034 0.000 2.226 3462 I HA -0.255 3.915 4.170 0.000 0.000 0.245 3462 I C 2.850 178.954 176.117 -0.022 0.000 1.100 3462 I CA 1.693 62.979 61.300 -0.023 0.000 1.374 3462 I CB -1.559 36.431 38.000 -0.018 0.000 1.057 3462 I HN 0.184 nan 8.210 nan 0.000 0.413 3463 A N 0.451 123.255 122.820 -0.027 0.000 1.902 3463 A HA -0.197 4.123 4.320 0.000 0.000 0.217 3463 A C 2.231 179.799 177.584 -0.027 0.000 1.181 3463 A CA 1.444 53.465 52.037 -0.027 0.000 0.623 3463 A CB -0.609 18.373 19.000 -0.031 0.000 0.818 3463 A HN 0.470 nan 8.150 nan 0.000 0.443 3464 E N -0.896 119.287 120.200 -0.028 0.000 2.204 3464 E HA -0.106 4.244 4.350 0.000 0.000 0.194 3464 E C 1.947 178.533 176.600 -0.023 0.000 0.989 3464 E CA 1.398 57.782 56.400 -0.027 0.000 0.824 3464 E CB -0.186 29.498 29.700 -0.028 0.000 0.756 3464 E HN 0.629 nan 8.360 nan 0.000 0.477 3465 T N 0.693 115.235 114.554 -0.021 0.000 2.698 3465 T HA -0.113 4.237 4.350 0.000 0.000 0.260 3465 T C 2.174 176.864 174.700 -0.016 0.000 1.044 3465 T CA 1.545 63.635 62.100 -0.017 0.000 1.149 3465 T CB -0.151 68.708 68.868 -0.014 0.000 0.864 3465 T HN 0.190 nan 8.240 nan 0.000 0.419 3466 V N 2.134 122.038 119.914 -0.016 0.000 3.129 3466 V HA 0.031 4.151 4.120 0.000 0.000 0.259 3466 V C 2.320 178.402 176.094 -0.019 0.000 1.116 3466 V CA 1.078 63.369 62.300 -0.015 0.000 1.127 3466 V CB -1.050 30.765 31.823 -0.013 0.000 0.742 3466 V HN 0.478 nan 8.190 nan 0.000 0.474 3467 R N 2.772 123.258 120.500 -0.022 0.000 2.249 3467 R HA -0.134 4.206 4.340 0.000 0.000 0.230 3467 R C 2.015 178.299 176.300 -0.027 0.000 1.121 3467 R CA 1.778 57.862 56.100 -0.026 0.000 0.997 3467 R CB -1.208 29.075 30.300 -0.029 0.000 0.867 3467 R HN 0.706 nan 8.270 nan 0.000 0.465 3468 S N 0.296 115.981 115.700 -0.024 0.000 2.515 3468 S HA -0.084 4.386 4.470 0.000 0.000 0.231 3468 S C 1.733 176.318 174.600 -0.025 0.000 0.987 3468 S CA 0.866 59.051 58.200 -0.024 0.000 0.936 3468 S CB -0.057 63.131 63.200 -0.020 0.000 0.766 3468 S HN 0.588 nan 8.310 nan 0.000 0.528 3469 T N -0.686 113.854 114.554 -0.023 0.000 3.044 3469 T HA 0.390 4.740 4.350 0.000 0.000 0.250 3469 T C 0.512 175.196 174.700 -0.027 0.000 1.081 3469 T CA -0.476 61.611 62.100 -0.021 0.000 1.040 3469 T CB -0.500 68.360 68.868 -0.014 0.000 0.962 3469 T HN 0.301 nan 8.240 nan 0.000 0.506 3470 L N 2.219 123.423 121.223 -0.032 0.000 2.456 3470 L HA 0.504 4.844 4.340 0.000 0.000 0.272 3470 L C 1.194 178.034 176.870 -0.051 0.000 1.189 3470 L CA 0.939 55.758 54.840 -0.036 0.000 0.846 3470 L CB -0.154 41.883 42.059 -0.037 0.000 1.111 3470 L HN 0.669 nan 8.230 nan 0.000 0.475 3471 G N 3.182 111.952 108.800 -0.050 0.000 2.663 3471 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 3471 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 3471 G C -2.403 172.440 174.900 -0.095 0.000 1.246 3471 G CA -0.729 44.325 45.100 -0.076 0.000 0.795 3471 G HN 0.472 nan 8.290 nan 0.000 0.627 3472 P HA -0.009 nan 4.420 nan 0.000 0.218 3472 P C 1.257 178.368 177.300 -0.316 0.000 1.148 3472 P CA 1.294 64.288 63.100 -0.178 0.000 0.822 3472 P CB 0.159 31.708 31.700 -0.252 0.000 0.784 3473 K N -0.332 119.842 120.400 -0.378 0.000 2.576 3473 K HA 0.293 4.613 4.320 0.000 0.000 0.209 3473 K C 0.958 177.471 176.600 -0.145 0.000 1.049 3473 K CA -0.125 55.993 56.287 -0.281 0.000 1.140 3473 K CB -0.023 32.276 32.500 -0.335 0.000 0.871 3473 K HN 0.057 nan 8.250 nan 0.000 0.479 3474 G N 0.848 109.582 108.800 -0.109 0.000 2.634 3474 G HA2 0.237 4.197 3.960 0.000 0.000 0.255 3474 G HA3 0.237 4.197 3.960 0.000 0.000 0.255 3474 G C 0.281 175.154 174.900 -0.046 0.000 1.205 3474 G CA -0.392 44.668 45.100 -0.067 0.000 0.884 3474 G HN -0.028 nan 8.290 nan 0.000 0.549 3475 M N -0.151 119.428 119.600 -0.034 0.000 2.679 3475 M HA 0.441 4.921 4.480 0.000 0.000 0.287 3475 M C -0.588 175.704 176.300 -0.013 0.000 1.202 3475 M CA -0.641 54.646 55.300 -0.022 0.000 0.911 3475 M CB 1.272 33.859 32.600 -0.021 0.000 1.556 3475 M HN 0.344 nan 8.290 nan 0.000 0.511 3476 D N 0.138 120.535 120.400 -0.007 0.000 2.449 3476 D HA 0.601 5.241 4.640 0.000 0.000 0.250 3476 D C -0.699 175.602 176.300 0.001 0.000 1.050 3476 D CA -0.418 53.582 54.000 0.000 0.000 1.024 3476 D CB 1.495 42.299 40.800 0.007 0.000 1.218 3476 D HN 0.263 nan 8.370 nan 0.000 0.566 3477 K N 0.133 120.537 120.400 0.006 0.000 2.385 3477 K HA 0.546 4.866 4.320 0.000 0.000 0.248 3477 K C -0.799 175.811 176.600 0.016 0.000 0.955 3477 K CA -0.814 55.477 56.287 0.007 0.000 0.816 3477 K CB 2.824 35.327 32.500 0.005 0.000 1.250 3477 K HN 0.276 nan 8.250 nan 0.000 0.434 3478 M N 3.500 123.109 119.600 0.015 0.000 2.078 3478 M HA 0.313 4.793 4.480 0.000 0.000 0.320 3478 M C -1.870 174.444 176.300 0.024 0.000 0.969 3478 M CA -0.960 54.355 55.300 0.025 0.000 0.929 3478 M CB 0.578 33.186 32.600 0.014 0.000 1.504 3478 M HN 0.396 nan 8.290 nan 0.000 0.419 3479 L N 5.474 126.716 121.223 0.032 0.000 2.322 3479 L HA 0.626 4.966 4.340 0.000 0.000 0.281 3479 L C -0.880 176.010 176.870 0.032 0.000 1.014 3479 L CA -0.450 54.405 54.840 0.025 0.000 0.815 3479 L CB 2.162 44.233 42.059 0.019 0.000 1.247 3479 L HN 0.434 nan 8.230 nan 0.000 0.421 3480 V N 2.793 122.722 119.914 0.026 0.000 2.378 3480 V HA 0.358 4.478 4.120 0.000 0.000 0.288 3480 V C -0.313 175.792 176.094 0.019 0.000 1.016 3480 V CA -0.974 61.342 62.300 0.028 0.000 0.840 3480 V CB 1.452 33.291 31.823 0.026 0.000 0.994 3480 V HN 0.841 nan 8.190 nan 0.000 0.431 3481 D N 3.484 123.894 120.400 0.017 0.000 2.398 3481 D HA 0.003 4.643 4.640 0.000 0.000 0.264 3481 D C 1.032 177.338 176.300 0.010 0.000 1.263 3481 D CA -0.217 53.790 54.000 0.011 0.000 1.037 3481 D CB 0.469 41.273 40.800 0.007 0.000 1.101 3481 D HN 0.570 nan 8.370 nan 0.000 0.551 3482 D N -0.850 119.554 120.400 0.007 0.000 2.348 3482 D HA -0.122 4.518 4.640 0.000 0.000 0.216 3482 D C 1.661 177.965 176.300 0.006 0.000 0.970 3482 D CA 0.504 54.508 54.000 0.006 0.000 0.889 3482 D CB -0.155 40.648 40.800 0.005 0.000 0.912 3482 D HN 0.381 nan 8.370 nan 0.000 0.524 3483 L N -0.851 120.376 121.223 0.007 0.000 2.554 3483 L HA 0.306 4.646 4.340 0.000 0.000 0.225 3483 L C 1.849 178.725 176.870 0.010 0.000 1.104 3483 L CA 0.541 55.385 54.840 0.006 0.000 0.866 3483 L CB 0.258 42.319 42.059 0.004 0.000 1.047 3483 L HN 0.298 nan 8.230 nan 0.000 0.468 3484 G N -0.368 108.440 108.800 0.013 0.000 2.218 3484 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 3484 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 3484 G C 0.117 175.034 174.900 0.029 0.000 0.994 3484 G CA -0.021 45.091 45.100 0.020 0.000 0.637 3484 G HN 0.313 nan 8.290 nan 0.000 0.505 3485 D N 1.033 121.447 120.400 0.022 0.000 2.455 3485 D HA 0.394 5.034 4.640 0.000 0.000 0.241 3485 D C 0.485 176.812 176.300 0.045 0.000 1.138 3485 D CA 0.270 54.284 54.000 0.024 0.000 0.877 3485 D CB 1.237 42.035 40.800 -0.003 0.000 1.187 3485 D HN 0.273 nan 8.370 nan 0.000 0.451 3486 V N 4.368 124.339 119.914 0.095 0.000 2.398 3486 V HA 0.351 4.471 4.120 0.000 0.000 0.286 3486 V C 0.139 176.325 176.094 0.154 0.000 1.026 3486 V CA -0.806 61.592 62.300 0.164 0.000 0.868 3486 V CB 1.706 33.691 31.823 0.270 0.000 0.982 3486 V HN 0.346 nan 8.190 nan 0.000 0.443 3487 V N 5.482 125.462 119.914 0.109 0.000 2.495 3487 V HA 0.465 4.585 4.120 0.000 0.000 0.298 3487 V C -0.251 175.907 176.094 0.105 0.000 1.031 3487 V CA -0.645 61.697 62.300 0.070 0.000 0.871 3487 V CB 2.144 33.980 31.823 0.022 0.000 0.988 3487 V HN 0.598 nan 8.190 nan 0.000 0.432 3488 V N 4.197 124.184 119.914 0.120 0.000 2.347 3488 V HA 0.689 4.809 4.120 0.000 0.000 0.280 3488 V C 0.141 176.266 176.094 0.051 0.000 1.021 3488 V CA 0.059 62.413 62.300 0.091 0.000 0.847 3488 V CB 1.378 33.270 31.823 0.115 0.000 0.990 3488 V HN 1.004 nan 8.190 nan 0.000 0.444 3489 T N 2.927 117.501 114.554 0.034 0.000 2.821 3489 T HA 0.327 4.677 4.350 0.000 0.000 0.306 3489 T C 0.233 174.942 174.700 0.015 0.000 1.313 3489 T CA -0.416 61.697 62.100 0.022 0.000 1.012 3489 T CB 1.991 70.869 68.868 0.016 0.000 1.298 3489 T HN 0.634 nan 8.240 nan 0.000 0.502 3490 N N 1.041 119.748 118.700 0.011 0.000 2.210 3490 N HA 0.093 4.833 4.740 0.000 0.000 0.203 3490 N C -0.787 174.725 175.510 0.004 0.000 1.175 3490 N CA -0.020 53.034 53.050 0.006 0.000 0.894 3490 N CB 0.492 38.983 38.487 0.006 0.000 1.041 3490 N HN 0.571 nan 8.380 nan 0.000 0.506 3491 D N 0.288 120.691 120.400 0.006 0.000 2.412 3491 D HA 0.147 4.787 4.640 0.000 0.000 0.257 3491 D C 1.386 177.687 176.300 0.003 0.000 1.217 3491 D CA 0.267 54.270 54.000 0.004 0.000 0.897 3491 D CB 1.077 41.880 40.800 0.005 0.000 1.132 3491 D HN 0.305 nan 8.370 nan 0.000 0.493 3492 G N 1.818 110.619 108.800 0.001 0.000 2.421 3492 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 3492 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 3492 G C 1.585 176.485 174.900 0.001 0.000 1.171 3492 G CA 0.362 45.461 45.100 -0.001 0.000 0.775 3492 G HN 0.471 nan 8.290 nan 0.000 0.543 3493 V N 0.852 120.768 119.914 0.002 0.000 2.490 3493 V HA -0.151 3.969 4.120 0.000 0.000 0.250 3493 V C 2.953 179.049 176.094 0.003 0.000 1.061 3493 V CA 2.901 65.203 62.300 0.003 0.000 1.064 3493 V CB -0.626 31.199 31.823 0.004 0.000 0.670 3493 V HN 0.414 nan 8.190 nan 0.000 0.461 3494 T N 0.821 115.377 114.554 0.003 0.000 2.812 3494 T HA -0.053 4.297 4.350 0.000 0.000 0.264 3494 T C 1.848 176.551 174.700 0.004 0.000 1.042 3494 T CA 1.620 63.722 62.100 0.003 0.000 1.140 3494 T CB -0.185 68.685 68.868 0.004 0.000 0.870 3494 T HN 0.331 nan 8.240 nan 0.000 0.445 3495 I N 0.970 121.542 120.570 0.004 0.000 2.179 3495 I HA -0.069 4.101 4.170 0.000 0.000 0.242 3495 I C 2.176 178.295 176.117 0.004 0.000 1.088 3495 I CA 1.221 62.523 61.300 0.004 0.000 1.357 3495 I CB -1.196 36.805 38.000 0.002 0.000 1.051 3495 I HN 0.214 nan 8.210 nan 0.000 0.409 3496 L N 0.171 121.396 121.223 0.004 0.000 2.179 3496 L HA -0.042 4.298 4.340 0.000 0.000 0.208 3496 L C 2.607 179.480 176.870 0.006 0.000 1.096 3496 L CA 1.338 56.180 54.840 0.005 0.000 0.779 3496 L CB -0.964 41.098 42.059 0.004 0.000 0.922 3496 L HN 0.179 nan 8.230 nan 0.000 0.443 3497 R N -0.133 120.370 120.500 0.005 0.000 2.066 3497 R HA -0.118 4.222 4.340 0.000 0.000 0.232 3497 R C 1.935 178.239 176.300 0.005 0.000 1.131 3497 R CA 1.341 57.444 56.100 0.005 0.000 0.955 3497 R CB 0.033 30.335 30.300 0.004 0.000 0.851 3497 R HN 0.355 nan 8.270 nan 0.000 0.432 3498 E N 0.924 121.128 120.200 0.005 0.000 2.076 3498 E HA -0.063 4.287 4.350 0.000 0.000 0.190 3498 E C 1.258 177.862 176.600 0.007 0.000 0.979 3498 E CA 0.514 56.917 56.400 0.006 0.000 0.807 3498 E CB -0.256 29.447 29.700 0.006 0.000 0.761 3498 E HN 0.435 nan 8.360 nan 0.000 0.454 3499 M N -0.095 119.509 119.600 0.007 0.000 2.219 3499 M HA 0.068 4.549 4.480 0.000 0.000 0.307 3499 M C 0.459 176.764 176.300 0.009 0.000 1.116 3499 M CA 0.506 55.810 55.300 0.008 0.000 1.181 3499 M CB 0.546 33.150 32.600 0.007 0.000 1.410 3499 M HN -0.267 nan 8.290 nan 0.000 0.454 3500 S N 2.251 117.957 115.700 0.010 0.000 2.512 3500 S HA 0.467 4.937 4.470 0.000 0.000 0.291 3500 S C -0.757 173.852 174.600 0.015 0.000 1.151 3500 S CA -0.808 57.399 58.200 0.011 0.000 1.120 3500 S CB -0.138 63.068 63.200 0.010 0.000 1.029 3500 S HN 0.531 nan 8.310 nan 0.000 0.485 3501 V N 5.101 125.026 119.914 0.018 0.000 2.607 3501 V HA 0.375 4.495 4.120 0.000 0.000 0.289 3501 V C 0.858 176.972 176.094 0.033 0.000 1.053 3501 V CA -0.308 62.008 62.300 0.028 0.000 0.996 3501 V CB 1.565 33.406 31.823 0.030 0.000 0.995 3501 V HN 0.751 nan 8.190 nan 0.000 0.476 3502 E N 0.946 121.176 120.200 0.049 0.000 2.228 3502 E HA 0.077 4.427 4.350 0.000 0.000 0.197 3502 E C 0.715 177.348 176.600 0.055 0.000 0.909 3502 E CA 0.160 56.586 56.400 0.044 0.000 0.911 3502 E CB -0.047 29.679 29.700 0.043 0.000 0.887 3502 E HN 0.701 nan 8.360 nan 0.000 0.481 3503 H N 2.437 121.508 119.070 0.001 0.000 2.764 3503 H HA 0.050 4.606 4.556 -0.000 0.000 0.341 3503 H C -1.749 173.578 175.328 -0.001 0.000 1.072 3503 H CA -1.490 54.559 56.048 0.001 0.000 1.444 3503 H CB 1.604 31.364 29.762 -0.004 0.000 1.458 3503 H HN -0.209 nan 8.280 nan 0.000 0.572 3504 P HA -0.137 nan 4.420 nan 0.000 0.215 3504 P C 1.044 178.447 177.300 0.172 0.000 1.153 3504 P CA 2.172 65.287 63.100 0.023 0.000 0.853 3504 P CB 0.096 31.743 31.700 -0.089 0.000 0.788 3505 A N -0.126 122.954 122.820 0.433 0.000 1.898 3505 A HA -0.041 4.279 4.320 0.000 0.000 0.216 3505 A C 2.311 179.950 177.584 0.092 0.000 1.181 3505 A CA 1.881 54.043 52.037 0.209 0.000 0.620 3505 A CB -1.552 17.517 19.000 0.114 0.000 0.819 3505 A HN 0.185 nan 8.150 nan 0.000 0.442 3506 A N -0.156 122.724 122.820 0.099 0.000 1.972 3506 A HA -0.129 4.191 4.320 0.000 0.000 0.219 3506 A C 2.053 179.665 177.584 0.046 0.000 1.169 3506 A CA 1.699 53.758 52.037 0.036 0.000 0.635 3506 A CB -0.375 18.642 19.000 0.028 0.000 0.810 3506 A HN 0.540 nan 8.150 nan 0.000 0.446 3507 K N -0.915 119.527 120.400 0.070 0.000 2.211 3507 K HA -0.030 4.290 4.320 0.000 0.000 0.203 3507 K C 1.789 178.409 176.600 0.034 0.000 1.050 3507 K CA 1.105 57.418 56.287 0.044 0.000 0.945 3507 K CB -0.180 32.343 32.500 0.040 0.000 0.732 3507 K HN 0.354 nan 8.250 nan 0.000 0.451 3508 M N 0.232 119.855 119.600 0.039 0.000 2.229 3508 M HA -0.092 4.388 4.480 0.000 0.000 0.264 3508 M C 1.860 178.172 176.300 0.021 0.000 1.063 3508 M CA 1.220 56.537 55.300 0.029 0.000 1.114 3508 M CB -0.655 31.964 32.600 0.031 0.000 1.387 3508 M HN 0.073 nan 8.290 nan 0.000 0.420 3509 L N -0.016 121.217 121.223 0.017 0.000 2.201 3509 L HA -0.062 4.278 4.340 0.000 0.000 0.212 3509 L C 2.255 179.131 176.870 0.010 0.000 1.105 3509 L CA 1.197 56.043 54.840 0.010 0.000 0.775 3509 L CB -0.811 41.249 42.059 0.002 0.000 0.913 3509 L HN 0.214 nan 8.230 nan 0.000 0.440 3510 I N -0.939 119.638 120.570 0.013 0.000 2.226 3510 I HA -0.270 3.900 4.170 0.000 0.000 0.245 3510 I C 2.458 178.582 176.117 0.011 0.000 1.100 3510 I CA 1.002 62.308 61.300 0.011 0.000 1.374 3510 I CB -0.146 37.862 38.000 0.013 0.000 1.057 3510 I HN 0.230 nan 8.210 nan 0.000 0.413 3511 E N 0.866 121.074 120.200 0.014 0.000 2.110 3511 E HA -0.156 4.194 4.350 0.000 0.000 0.193 3511 E C 2.129 178.738 176.600 0.014 0.000 0.988 3511 E CA 1.125 57.533 56.400 0.013 0.000 0.804 3511 E CB -0.087 29.622 29.700 0.015 0.000 0.745 3511 E HN 0.241 nan 8.360 nan 0.000 0.458 3512 V N 0.599 120.522 119.914 0.015 0.000 2.343 3512 V HA -0.268 3.852 4.120 0.000 0.000 0.247 3512 V C 2.320 178.421 176.094 0.012 0.000 1.051 3512 V CA 1.844 64.154 62.300 0.015 0.000 1.036 3512 V CB -0.900 30.932 31.823 0.015 0.000 0.654 3512 V HN 0.443 nan 8.190 nan 0.000 0.451 3513 A N -0.506 122.319 122.820 0.009 0.000 1.930 3513 A HA -0.205 4.115 4.320 0.000 0.000 0.217 3513 A C 2.298 179.887 177.584 0.007 0.000 1.175 3513 A CA 1.757 53.798 52.037 0.007 0.000 0.627 3513 A CB -0.376 18.627 19.000 0.005 0.000 0.815 3513 A HN 0.538 nan 8.150 nan 0.000 0.443 3514 K N -0.575 119.830 120.400 0.008 0.000 2.097 3514 K HA -0.100 4.221 4.320 0.000 0.000 0.205 3514 K C 2.228 178.833 176.600 0.008 0.000 1.050 3514 K CA 1.716 58.007 56.287 0.007 0.000 0.938 3514 K CB -0.308 32.196 32.500 0.008 0.000 0.718 3514 K HN 0.732 nan 8.250 nan 0.000 0.442 3515 T N -1.204 113.357 114.554 0.010 0.000 2.904 3515 T HA -0.140 4.210 4.350 0.000 0.000 0.267 3515 T C 2.001 176.707 174.700 0.011 0.000 1.059 3515 T CA 0.843 62.950 62.100 0.011 0.000 1.137 3515 T CB 0.004 68.880 68.868 0.014 0.000 0.879 3515 T HN 0.012 nan 8.240 nan 0.000 0.467 3516 Q N 1.339 121.145 119.800 0.011 0.000 2.083 3516 Q HA -0.056 4.284 4.340 0.000 0.000 0.198 3516 Q C 2.394 178.399 176.000 0.008 0.000 0.969 3516 Q CA 1.572 57.381 55.803 0.010 0.000 0.838 3516 Q CB -0.415 28.328 28.738 0.009 0.000 0.900 3516 Q HN 0.625 nan 8.270 nan 0.000 0.436 3517 E N 0.543 120.747 120.200 0.007 0.000 2.051 3517 E HA -0.237 4.113 4.350 0.000 0.000 0.192 3517 E C 1.815 178.418 176.600 0.005 0.000 0.991 3517 E CA 1.480 57.883 56.400 0.005 0.000 0.799 3517 E CB -0.137 29.566 29.700 0.004 0.000 0.748 3517 E HN 0.368 nan 8.360 nan 0.000 0.449 3518 K N 0.166 120.569 120.400 0.005 0.000 2.057 3518 K HA -0.203 4.117 4.320 0.000 0.000 0.207 3518 K C 2.181 178.784 176.600 0.005 0.000 1.049 3518 K CA 1.769 58.059 56.287 0.005 0.000 0.931 3518 K CB -0.058 32.445 32.500 0.005 0.000 0.714 3518 K HN -0.066 nan 8.250 nan 0.000 0.440 3519 E N -0.416 119.788 120.200 0.007 0.000 2.086 3519 E HA -0.058 4.292 4.350 0.000 0.000 0.190 3519 E C 1.564 178.168 176.600 0.008 0.000 0.975 3519 E CA 1.109 57.513 56.400 0.008 0.000 0.813 3519 E CB 0.357 30.062 29.700 0.010 0.000 0.768 3519 E HN 0.132 nan 8.360 nan 0.000 0.457 3520 V N -1.591 118.328 119.914 0.008 0.000 2.806 3520 V HA 0.391 4.511 4.120 0.000 0.000 0.239 3520 V C 1.656 177.754 176.094 0.008 0.000 1.113 3520 V CA 0.849 63.154 62.300 0.008 0.000 1.137 3520 V CB 0.396 32.224 31.823 0.010 0.000 0.865 3520 V HN 0.506 nan 8.190 nan 0.000 0.482 3521 G N 0.132 108.936 108.800 0.007 0.000 4.391 3521 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 3521 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 3521 G C 0.143 175.047 174.900 0.007 0.000 1.547 3521 G CA 0.279 45.383 45.100 0.006 0.000 1.103 3521 G HN 0.441 nan 8.290 nan 0.000 0.637 3522 D N 1.710 122.115 120.400 0.008 0.000 2.387 3522 D HA 0.481 5.121 4.640 0.000 0.000 0.251 3522 D C 1.418 177.723 176.300 0.007 0.000 1.141 3522 D CA 1.267 55.272 54.000 0.009 0.000 0.987 3522 D CB 0.806 41.613 40.800 0.011 0.000 1.116 3522 D HN 1.723 nan 8.370 nan 0.000 0.491 3523 G N 0.433 109.237 108.800 0.006 0.000 2.143 3523 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 3523 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 3523 G C 1.010 175.911 174.900 0.001 0.000 0.981 3523 G CA 1.205 46.307 45.100 0.003 0.000 0.665 3523 G HN 0.613 nan 8.290 nan 0.000 0.528 3524 T N -3.143 111.412 114.554 0.002 0.000 2.821 3524 T HA -0.042 4.308 4.350 0.000 0.000 0.267 3524 T C 2.206 176.904 174.700 -0.002 0.000 1.046 3524 T CA 2.431 64.532 62.100 0.002 0.000 1.139 3524 T CB -0.409 68.460 68.868 0.002 0.000 0.871 3524 T HN 0.276 nan 8.240 nan 0.000 0.454 3525 T N 1.896 116.447 114.554 -0.005 0.000 2.812 3525 T HA -0.043 4.307 4.350 0.000 0.000 0.264 3525 T C 2.234 176.926 174.700 -0.014 0.000 1.042 3525 T CA 1.639 63.733 62.100 -0.010 0.000 1.140 3525 T CB -0.843 68.018 68.868 -0.012 0.000 0.870 3525 T HN 0.482 nan 8.240 nan 0.000 0.445 3526 T N 2.181 116.727 114.554 -0.013 0.000 2.684 3526 T HA -0.097 4.253 4.350 0.000 0.000 0.267 3526 T C 2.383 177.072 174.700 -0.018 0.000 1.036 3526 T CA 1.310 63.399 62.100 -0.018 0.000 1.148 3526 T CB -0.545 68.314 68.868 -0.014 0.000 0.863 3526 T HN 0.436 nan 8.240 nan 0.000 0.436 3527 A N 0.743 123.558 122.820 -0.009 0.000 1.902 3527 A HA -0.028 4.292 4.320 0.000 0.000 0.217 3527 A C 2.592 180.173 177.584 -0.006 0.000 1.181 3527 A CA 1.359 53.394 52.037 -0.003 0.000 0.623 3527 A CB -0.895 18.108 19.000 0.006 0.000 0.818 3527 A HN 0.365 nan 8.150 nan 0.000 0.443 3528 V N -0.963 118.946 119.914 -0.007 0.000 2.323 3528 V HA -0.175 3.945 4.120 0.000 0.000 0.244 3528 V C 2.468 178.552 176.094 -0.017 0.000 1.041 3528 V CA 1.787 64.082 62.300 -0.008 0.000 1.025 3528 V CB -0.629 31.189 31.823 -0.007 0.000 0.656 3528 V HN 0.375 nan 8.190 nan 0.000 0.451 3529 V N -0.376 119.524 119.914 -0.023 0.000 2.515 3529 V HA -0.168 3.952 4.120 0.000 0.000 0.250 3529 V C 2.321 178.390 176.094 -0.042 0.000 1.058 3529 V CA 1.930 64.212 62.300 -0.031 0.000 1.064 3529 V CB 0.320 32.123 31.823 -0.033 0.000 0.675 3529 V HN 0.386 nan 8.190 nan 0.000 0.461 3530 V N 0.341 120.226 119.914 -0.048 0.000 2.358 3530 V HA -0.152 3.968 4.120 0.000 0.000 0.246 3530 V C 2.770 178.828 176.094 -0.061 0.000 1.047 3530 V CA 1.889 64.143 62.300 -0.076 0.000 1.035 3530 V CB -1.068 30.703 31.823 -0.088 0.000 0.658 3530 V HN 0.617 nan 8.190 nan 0.000 0.452 3531 A N 0.496 123.300 122.820 -0.027 0.000 1.933 3531 A HA -0.097 4.223 4.320 0.000 0.000 0.218 3531 A C 2.374 179.954 177.584 -0.006 0.000 1.175 3531 A CA 1.998 54.035 52.037 -0.001 0.000 0.628 3531 A CB -1.082 17.923 19.000 0.008 0.000 0.814 3531 A HN 0.530 nan 8.150 nan 0.000 0.444 3532 G N -0.820 107.968 108.800 -0.020 0.000 2.394 3532 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 3532 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 3532 G C 1.463 176.348 174.900 -0.026 0.000 1.165 3532 G CA 1.140 46.224 45.100 -0.026 0.000 0.784 3532 G HN 0.532 nan 8.290 nan 0.000 0.535 3533 E N 0.331 120.512 120.200 -0.030 0.000 2.106 3533 E HA 0.034 4.384 4.350 0.000 0.000 0.192 3533 E C 2.498 179.095 176.600 -0.005 0.000 0.984 3533 E CA 0.475 56.857 56.400 -0.031 0.000 0.806 3533 E CB -0.331 29.337 29.700 -0.054 0.000 0.750 3533 E HN 0.426 nan 8.360 nan 0.000 0.458 3534 L N -0.329 120.899 121.223 0.009 0.000 2.046 3534 L HA -0.176 4.164 4.340 0.000 0.000 0.208 3534 L C 2.131 179.074 176.870 0.122 0.000 1.077 3534 L CA 0.527 55.447 54.840 0.133 0.000 0.747 3534 L CB -0.383 41.771 42.059 0.159 0.000 0.896 3534 L HN 0.229 nan 8.230 nan 0.000 0.432 3535 L N -0.246 120.990 121.223 0.022 0.000 2.083 3535 L HA -0.191 4.149 4.340 0.000 0.000 0.209 3535 L C 2.702 179.557 176.870 -0.027 0.000 1.083 3535 L CA 1.600 56.421 54.840 -0.033 0.000 0.752 3535 L CB -0.801 41.232 42.059 -0.044 0.000 0.899 3535 L HN 0.183 nan 8.230 nan 0.000 0.433 3536 R N -0.652 119.841 120.500 -0.011 0.000 2.073 3536 R HA -0.140 4.200 4.340 0.000 0.000 0.234 3536 R C 2.103 178.407 176.300 0.007 0.000 1.134 3536 R CA 1.149 57.241 56.100 -0.014 0.000 0.952 3536 R CB 0.054 30.343 30.300 -0.018 0.000 0.850 3536 R HN 0.131 nan 8.270 nan 0.000 0.433 3537 K N 0.110 120.537 120.400 0.044 0.000 2.155 3537 K HA 0.010 4.330 4.320 0.000 0.000 0.203 3537 K C 1.907 178.574 176.600 0.113 0.000 1.052 3537 K CA 1.089 57.424 56.287 0.080 0.000 0.948 3537 K CB -0.129 32.435 32.500 0.106 0.000 0.728 3537 K HN 0.258 nan 8.250 nan 0.000 0.448 3538 A N 1.586 124.468 122.820 0.102 0.000 1.930 3538 A HA -0.162 4.158 4.320 0.000 0.000 0.217 3538 A C 2.154 179.719 177.584 -0.032 0.000 1.175 3538 A CA 1.325 53.358 52.037 -0.006 0.000 0.627 3538 A CB -0.236 18.624 19.000 -0.234 0.000 0.815 3538 A HN 0.219 nan 8.150 nan 0.000 0.443 3539 E N -0.113 120.067 120.200 -0.033 0.000 2.106 3539 E HA -0.208 4.142 4.350 0.000 0.000 0.192 3539 E C 1.940 178.527 176.600 -0.021 0.000 0.984 3539 E CA 1.484 57.860 56.400 -0.040 0.000 0.806 3539 E CB -0.100 29.571 29.700 -0.048 0.000 0.750 3539 E HN 0.626 nan 8.360 nan 0.000 0.458 3540 E N 0.492 120.689 120.200 -0.004 0.000 2.153 3540 E HA -0.157 4.193 4.350 0.000 0.000 0.194 3540 E C 2.047 178.655 176.600 0.013 0.000 0.988 3540 E CA 0.599 57.002 56.400 0.004 0.000 0.811 3540 E CB -0.327 29.380 29.700 0.012 0.000 0.746 3540 E HN 0.182 nan 8.360 nan 0.000 0.466 3541 L N -0.131 121.109 121.223 0.028 0.000 2.109 3541 L HA 0.011 4.351 4.340 0.000 0.000 0.207 3541 L C 2.011 178.889 176.870 0.013 0.000 1.086 3541 L CA 1.421 56.284 54.840 0.038 0.000 0.760 3541 L CB -0.318 41.790 42.059 0.082 0.000 0.910 3541 L HN 0.240 nan 8.230 nan 0.000 0.437 3542 L N -0.730 120.487 121.223 -0.010 0.000 2.141 3542 L HA -0.188 4.152 4.340 0.000 0.000 0.209 3542 L C 2.148 179.004 176.870 -0.023 0.000 1.094 3542 L CA 1.426 56.248 54.840 -0.030 0.000 0.763 3542 L CB -0.600 41.427 42.059 -0.053 0.000 0.908 3542 L HN 0.318 nan 8.230 nan 0.000 0.437 3543 D N -0.573 119.817 120.400 -0.017 0.000 2.178 3543 D HA -0.187 4.453 4.640 0.000 0.000 0.202 3543 D C 2.078 178.375 176.300 -0.005 0.000 0.974 3543 D CA 0.858 54.850 54.000 -0.013 0.000 0.841 3543 D CB 0.192 40.985 40.800 -0.013 0.000 0.953 3543 D HN 0.144 nan 8.370 nan 0.000 0.478 3544 Q N 0.188 119.989 119.800 0.002 0.000 2.482 3544 Q HA 0.024 4.364 4.340 0.000 0.000 0.209 3544 Q C -0.032 175.974 176.000 0.010 0.000 0.961 3544 Q CA 0.271 56.079 55.803 0.008 0.000 0.945 3544 Q CB -0.060 28.686 28.738 0.014 0.000 1.012 3544 Q HN 0.360 nan 8.270 nan 0.000 0.515 3545 N N -0.256 118.447 118.700 0.005 0.000 2.780 3545 N HA -0.127 4.613 4.740 0.000 0.000 0.247 3545 N C -1.185 174.339 175.510 0.024 0.000 1.076 3545 N CA 0.351 53.406 53.050 0.008 0.000 0.688 3545 N CB -1.629 36.866 38.487 0.014 0.000 0.957 3545 N HN -0.015 nan 8.380 nan 0.000 0.551 3546 V N 1.661 121.588 119.914 0.021 0.000 2.350 3546 V HA 0.129 4.249 4.120 0.000 0.000 0.276 3546 V C 0.982 177.101 176.094 0.041 0.000 1.028 3546 V CA -0.732 61.594 62.300 0.044 0.000 0.860 3546 V CB 1.438 33.288 31.823 0.046 0.000 0.990 3546 V HN 0.324 nan 8.190 nan 0.000 0.453 3547 H N 8.023 127.097 119.070 0.005 0.000 3.001 3547 H HA 0.037 4.593 4.556 0.000 0.000 0.334 3547 H C -1.698 173.629 175.328 -0.002 0.000 1.034 3547 H CA -1.055 54.994 56.048 0.002 0.000 1.420 3547 H CB 1.687 31.450 29.762 0.002 0.000 1.405 3547 H HN 0.375 nan 8.280 nan 0.000 0.593 3548 P HA -0.173 nan 4.420 nan 0.000 0.218 3548 P C 1.501 178.856 177.300 0.091 0.000 1.146 3548 P CA 1.697 64.738 63.100 -0.099 0.000 0.820 3548 P CB 0.033 31.618 31.700 -0.191 0.000 0.778 3549 T N -1.872 112.903 114.554 0.368 0.000 2.929 3549 T HA -0.097 4.253 4.350 0.000 0.000 0.271 3549 T C 1.505 176.275 174.700 0.116 0.000 1.085 3549 T CA 0.845 63.076 62.100 0.218 0.000 1.125 3549 T CB -0.473 68.483 68.868 0.145 0.000 0.874 3549 T HN -0.147 nan 8.240 nan 0.000 0.494 3550 I N 0.121 120.765 120.570 0.124 0.000 2.385 3550 I HA 0.072 4.242 4.170 0.000 0.000 0.244 3550 I C 2.562 178.731 176.117 0.086 0.000 1.089 3550 I CA 0.652 62.002 61.300 0.083 0.000 1.410 3550 I CB -1.529 36.520 38.000 0.082 0.000 1.117 3550 I HN 0.112 nan 8.210 nan 0.000 0.429 3551 V N 1.080 121.038 119.914 0.074 0.000 2.469 3551 V HA -0.216 3.904 4.120 0.000 0.000 0.251 3551 V C 2.548 178.675 176.094 0.056 0.000 1.064 3551 V CA 1.587 63.931 62.300 0.074 0.000 1.066 3551 V CB -0.086 31.698 31.823 -0.066 0.000 0.667 3551 V HN 0.184 nan 8.190 nan 0.000 0.461 3552 V N -0.083 119.844 119.914 0.022 0.000 2.427 3552 V HA -0.234 3.886 4.120 0.000 0.000 0.248 3552 V C 2.391 178.530 176.094 0.076 0.000 1.051 3552 V CA 2.489 64.806 62.300 0.028 0.000 1.048 3552 V CB -0.679 31.155 31.823 0.018 0.000 0.666 3552 V HN 0.608 nan 8.190 nan 0.000 0.456 3553 K N 0.207 120.649 120.400 0.070 0.000 2.021 3553 K HA -0.069 4.251 4.320 0.000 0.000 0.205 3553 K C 2.191 178.818 176.600 0.045 0.000 1.047 3553 K CA 1.426 57.740 56.287 0.046 0.000 0.943 3553 K CB -0.540 31.977 32.500 0.027 0.000 0.725 3553 K HN 0.439 nan 8.250 nan 0.000 0.439 3554 G N -0.206 108.639 108.800 0.075 0.000 2.408 3554 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 3554 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 3554 G C 1.148 176.039 174.900 -0.015 0.000 1.150 3554 G CA 0.671 45.782 45.100 0.019 0.000 0.776 3554 G HN 0.286 nan 8.290 nan 0.000 0.542 3555 Y N 0.409 120.679 120.300 -0.051 0.000 2.293 3555 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 3555 Y C 2.982 178.780 175.900 -0.170 0.000 1.137 3555 Y CA 1.368 59.433 58.100 -0.058 0.000 1.202 3555 Y CB -0.096 38.427 38.460 0.105 0.000 0.990 3555 Y HN 0.195 nan 8.280 nan 0.000 0.537 3556 Q N 0.370 120.206 119.800 0.060 0.000 2.046 3556 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 3556 Q C 2.397 178.352 176.000 -0.075 0.000 0.975 3556 Q CA 1.497 57.302 55.803 0.003 0.000 0.836 3556 Q CB -0.316 28.438 28.738 0.027 0.000 0.896 3556 Q HN 0.444 nan 8.270 nan 0.000 0.428 3557 A N 0.921 123.692 122.820 -0.082 0.000 1.877 3557 A HA -0.086 4.234 4.320 0.000 0.000 0.216 3557 A C 2.326 179.879 177.584 -0.051 0.000 1.186 3557 A CA 2.178 54.186 52.037 -0.048 0.000 0.620 3557 A CB -0.918 18.027 19.000 -0.090 0.000 0.822 3557 A HN 0.496 nan 8.150 nan 0.000 0.443 3558 A N -0.354 122.284 122.820 -0.302 0.000 1.930 3558 A HA 0.221 4.541 4.320 0.000 0.000 0.217 3558 A C 2.479 179.596 177.584 -0.778 0.000 1.175 3558 A CA 1.942 53.660 52.037 -0.533 0.000 0.627 3558 A CB -0.917 17.509 19.000 -0.956 0.000 0.815 3558 A HN 1.018 nan 8.150 nan 0.000 0.443 3559 A N -0.785 121.510 122.820 -0.875 0.000 1.898 3559 A HA -0.195 4.125 4.320 0.000 0.000 0.216 3559 A C 2.186 179.706 177.584 -0.107 0.000 1.181 3559 A CA 1.738 53.562 52.037 -0.355 0.000 0.620 3559 A CB -0.558 18.384 19.000 -0.096 0.000 0.819 3559 A HN 0.643 nan 8.150 nan 0.000 0.442 3560 Q N -0.700 119.043 119.800 -0.095 0.000 2.119 3560 Q HA -0.224 4.116 4.340 0.000 0.000 0.201 3560 Q C 2.018 177.989 176.000 -0.047 0.000 0.972 3560 Q CA 1.901 57.682 55.803 -0.037 0.000 0.847 3560 Q CB -0.063 28.666 28.738 -0.015 0.000 0.903 3560 Q HN 0.453 nan 8.270 nan 0.000 0.433 3561 K N 0.273 120.629 120.400 -0.073 0.000 2.103 3561 K HA 0.001 4.322 4.320 0.000 0.000 0.204 3561 K C 1.699 178.247 176.600 -0.086 0.000 1.052 3561 K CA 1.302 57.505 56.287 -0.140 0.000 0.945 3561 K CB -0.473 31.855 32.500 -0.288 0.000 0.722 3561 K HN 0.266 nan 8.250 nan 0.000 0.443 3562 A N 0.699 123.499 122.820 -0.033 0.000 1.933 3562 A HA -0.227 4.093 4.320 0.000 0.000 0.218 3562 A C 2.205 179.813 177.584 0.039 0.000 1.175 3562 A CA 1.835 53.904 52.037 0.053 0.000 0.628 3562 A CB -0.638 18.481 19.000 0.199 0.000 0.814 3562 A HN 0.580 nan 8.150 nan 0.000 0.444 3563 Q N -0.346 119.470 119.800 0.025 0.000 2.084 3563 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 3563 Q C 1.898 177.899 176.000 0.001 0.000 0.978 3563 Q CA 1.824 57.639 55.803 0.020 0.000 0.844 3563 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 3563 Q HN 0.788 nan 8.270 nan 0.000 0.426 3564 E N 0.226 120.414 120.200 -0.020 0.000 2.110 3564 E HA -0.168 4.182 4.350 0.000 0.000 0.193 3564 E C 2.144 178.728 176.600 -0.028 0.000 0.988 3564 E CA 1.039 57.420 56.400 -0.031 0.000 0.804 3564 E CB -0.042 29.623 29.700 -0.058 0.000 0.745 3564 E HN 0.393 nan 8.360 nan 0.000 0.458 3565 L N 0.615 121.820 121.223 -0.030 0.000 2.056 3565 L HA -0.188 4.152 4.340 0.000 0.000 0.207 3565 L C 2.433 179.306 176.870 0.004 0.000 1.078 3565 L CA 0.835 55.665 54.840 -0.017 0.000 0.749 3565 L CB -0.344 41.706 42.059 -0.015 0.000 0.901 3565 L HN 0.174 nan 8.230 nan 0.000 0.433 3566 L N -0.379 120.850 121.223 0.011 0.000 2.046 3566 L HA -0.211 4.129 4.340 0.000 0.000 0.208 3566 L C 2.590 179.467 176.870 0.012 0.000 1.077 3566 L CA 1.385 56.234 54.840 0.016 0.000 0.747 3566 L CB -0.431 41.641 42.059 0.021 0.000 0.896 3566 L HN 0.211 nan 8.230 nan 0.000 0.432 3567 K N -0.810 119.594 120.400 0.006 0.000 2.217 3567 K HA -0.080 4.240 4.320 0.000 0.000 0.202 3567 K C 2.057 178.658 176.600 0.001 0.000 1.051 3567 K CA 1.436 57.725 56.287 0.004 0.000 0.952 3567 K CB -0.137 32.363 32.500 -0.000 0.000 0.736 3567 K HN 0.275 nan 8.250 nan 0.000 0.453 3568 T N 2.060 116.613 114.554 -0.002 0.000 2.737 3568 T HA -0.077 4.273 4.350 0.000 0.000 0.265 3568 T C 1.898 176.601 174.700 0.005 0.000 1.038 3568 T CA 1.315 63.413 62.100 -0.003 0.000 1.144 3568 T CB -0.147 68.714 68.868 -0.010 0.000 0.866 3568 T HN 0.376 nan 8.240 nan 0.000 0.434 3569 I N -0.028 120.550 120.570 0.014 0.000 3.251 3569 I HA 0.395 4.565 4.170 0.000 0.000 0.277 3569 I C 1.114 177.241 176.117 0.018 0.000 1.268 3569 I CA -0.446 60.867 61.300 0.022 0.000 1.449 3569 I CB -0.556 37.469 38.000 0.042 0.000 1.083 3569 I HN -0.041 nan 8.210 nan 0.000 0.464 3570 A N 1.575 124.404 122.820 0.014 0.000 2.566 3570 A HA 0.124 4.444 4.320 0.000 0.000 0.245 3570 A C 0.112 177.702 177.584 0.010 0.000 1.056 3570 A CA -0.005 52.040 52.037 0.013 0.000 0.757 3570 A CB -0.300 18.706 19.000 0.010 0.000 0.979 3570 A HN 0.639 nan 8.150 nan 0.000 0.508 3571 C N 3.472 122.778 119.300 0.011 0.000 2.295 3571 C HA 0.481 4.941 4.460 0.000 0.000 0.331 3571 C C 0.524 175.518 174.990 0.007 0.000 1.280 3571 C CA -0.652 58.371 59.018 0.008 0.000 1.746 3571 C CB -0.296 27.449 27.740 0.009 0.000 2.328 3571 C HN 0.945 nan 8.230 nan 0.000 0.521 3572 E N 3.807 124.010 120.200 0.005 0.000 2.366 3572 E HA 0.424 4.774 4.350 0.000 0.000 0.266 3572 E C -0.258 176.345 176.600 0.004 0.000 1.015 3572 E CA -0.025 56.377 56.400 0.004 0.000 0.906 3572 E CB 0.728 30.429 29.700 0.003 0.000 0.979 3572 E HN 0.716 nan 8.360 nan 0.000 0.443 3573 V N 1.049 120.966 119.914 0.005 0.000 3.102 3573 V HA 0.718 4.838 4.120 0.000 0.000 0.312 3573 V C 0.364 176.460 176.094 0.004 0.000 1.135 3573 V CA -0.687 61.616 62.300 0.004 0.000 1.022 3573 V CB 1.505 33.331 31.823 0.005 0.000 1.056 3573 V HN 0.702 nan 8.190 nan 0.000 0.436 3574 G N 0.528 109.330 108.800 0.003 0.000 2.313 3574 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 3574 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 3574 G C 0.990 175.892 174.900 0.004 0.000 1.281 3574 G CA 0.223 45.325 45.100 0.003 0.000 0.917 3574 G HN 1.661 nan 8.290 nan 0.000 0.501 3575 A N 2.540 125.362 122.820 0.004 0.000 1.908 3575 A HA -0.093 4.227 4.320 0.000 0.000 0.218 3575 A C 2.056 179.643 177.584 0.004 0.000 1.181 3575 A CA 1.299 53.339 52.037 0.004 0.000 0.627 3575 A CB -0.068 18.934 19.000 0.004 0.000 0.818 3575 A HN 0.568 nan 8.150 nan 0.000 0.445 3576 Q N -0.316 119.486 119.800 0.004 0.000 2.198 3576 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 3576 Q C -0.734 175.268 176.000 0.004 0.000 0.848 3576 Q CA -0.112 55.694 55.803 0.004 0.000 0.974 3576 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 3576 Q HN 0.745 nan 8.270 nan 0.000 0.494 3577 D N 1.145 121.547 120.400 0.004 0.000 2.389 3577 D HA -0.050 4.590 4.640 0.000 0.000 0.263 3577 D C 1.226 177.528 176.300 0.003 0.000 1.255 3577 D CA 0.145 54.147 54.000 0.003 0.000 0.914 3577 D CB 0.874 41.676 40.800 0.003 0.000 1.116 3577 D HN -0.227 nan 8.370 nan 0.000 0.502 3578 K N 3.629 124.031 120.400 0.003 0.000 2.015 3578 K HA -0.300 4.020 4.320 0.000 0.000 0.220 3578 K C 1.583 178.184 176.600 0.002 0.000 1.055 3578 K CA 2.240 58.529 56.287 0.003 0.000 0.951 3578 K CB -0.300 32.202 32.500 0.002 0.000 0.725 3578 K HN 0.682 nan 8.250 nan 0.000 0.449 3579 E N -0.544 119.656 120.200 0.001 0.000 2.048 3579 E HA -0.243 4.107 4.350 0.000 0.000 0.202 3579 E C 2.029 178.630 176.600 0.001 0.000 1.021 3579 E CA 1.899 58.298 56.400 -0.001 0.000 0.825 3579 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 3579 E HN 0.353 nan 8.360 nan 0.000 0.454 3580 I N 0.360 120.932 120.570 0.002 0.000 2.493 3580 I HA -0.183 3.987 4.170 0.000 0.000 0.254 3580 I C 1.862 177.983 176.117 0.006 0.000 1.160 3580 I CA 0.714 62.016 61.300 0.004 0.000 1.445 3580 I CB 0.000 38.004 38.000 0.005 0.000 1.086 3580 I HN 0.199 nan 8.210 nan 0.000 0.433 3581 L N -0.103 121.123 121.223 0.005 0.000 2.156 3581 L HA -0.094 4.246 4.340 0.000 0.000 0.208 3581 L C 2.631 179.505 176.870 0.006 0.000 1.095 3581 L CA 2.123 56.967 54.840 0.006 0.000 0.770 3581 L CB -1.435 40.627 42.059 0.006 0.000 0.914 3581 L HN 0.448 nan 8.230 nan 0.000 0.439 3582 T N -4.404 110.153 114.554 0.004 0.000 2.942 3582 T HA -0.108 4.242 4.350 0.000 0.000 0.265 3582 T C 1.893 176.594 174.700 0.003 0.000 1.062 3582 T CA 0.621 62.723 62.100 0.003 0.000 1.139 3582 T CB -0.145 68.722 68.868 -0.000 0.000 0.883 3582 T HN 0.185 nan 8.240 nan 0.000 0.468 3583 K N 0.757 121.159 120.400 0.003 0.000 2.097 3583 K HA 0.162 4.482 4.320 0.000 0.000 0.205 3583 K C 2.157 178.765 176.600 0.014 0.000 1.050 3583 K CA 1.107 57.397 56.287 0.005 0.000 0.938 3583 K CB -0.334 32.168 32.500 0.004 0.000 0.718 3583 K HN 0.373 nan 8.250 nan 0.000 0.442 3584 I N 1.033 121.611 120.570 0.014 0.000 2.163 3584 I HA -0.279 3.891 4.170 0.000 0.000 0.240 3584 I C 2.530 178.659 176.117 0.020 0.000 1.081 3584 I CA 1.145 62.455 61.300 0.018 0.000 1.353 3584 I CB -0.393 37.616 38.000 0.014 0.000 1.054 3584 I HN 0.132 nan 8.210 nan 0.000 0.407 3585 A N 0.649 123.478 122.820 0.016 0.000 1.883 3585 A HA -0.250 4.070 4.320 0.000 0.000 0.217 3585 A C 2.380 179.977 177.584 0.021 0.000 1.186 3585 A CA 1.859 53.906 52.037 0.016 0.000 0.624 3585 A CB -0.635 18.372 19.000 0.012 0.000 0.822 3585 A HN 0.340 nan 8.150 nan 0.000 0.444 3586 M N -0.306 119.305 119.600 0.019 0.000 2.086 3586 M HA -0.136 4.344 4.480 0.000 0.000 0.261 3586 M C 2.450 178.779 176.300 0.048 0.000 1.067 3586 M CA 2.093 57.407 55.300 0.023 0.000 1.116 3586 M CB -0.779 31.824 32.600 0.004 0.000 1.348 3586 M HN 0.711 nan 8.290 nan 0.000 0.407 3587 T N -2.693 111.892 114.554 0.052 0.000 2.915 3587 T HA -0.088 4.262 4.350 0.000 0.000 0.269 3587 T C 1.869 176.609 174.700 0.066 0.000 1.071 3587 T CA 1.548 63.696 62.100 0.080 0.000 1.132 3587 T CB -0.448 68.461 68.868 0.069 0.000 0.878 3587 T HN 0.317 nan 8.240 nan 0.000 0.479 3588 S N 1.108 116.836 115.700 0.045 0.000 2.355 3588 S HA 0.014 4.484 4.470 0.000 0.000 0.222 3588 S C 2.007 176.630 174.600 0.038 0.000 1.031 3588 S CA 0.875 59.096 58.200 0.035 0.000 0.993 3588 S CB -0.619 62.596 63.200 0.025 0.000 0.859 3588 S HN 0.598 nan 8.310 nan 0.000 0.453 3589 I N 1.758 122.354 120.570 0.042 0.000 2.361 3589 I HA -0.088 4.082 4.170 0.000 0.000 0.251 3589 I C 1.306 177.459 176.117 0.060 0.000 1.133 3589 I CA 0.876 62.202 61.300 0.044 0.000 1.413 3589 I CB -0.895 37.129 38.000 0.040 0.000 1.073 3589 I HN 0.444 nan 8.210 nan 0.000 0.424 3590 T N -0.621 113.987 114.554 0.089 0.000 2.903 3590 T HA 0.310 4.660 4.350 0.000 0.000 0.314 3590 T C 1.179 175.912 174.700 0.055 0.000 1.078 3590 T CA 0.103 62.277 62.100 0.124 0.000 1.114 3590 T CB 1.250 70.265 68.868 0.245 0.000 0.987 3590 T HN 0.595 nan 8.240 nan 0.000 0.548 3591 G N 1.296 110.112 108.800 0.026 0.000 2.159 3591 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 3591 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 3591 G C -0.077 174.824 174.900 0.002 0.000 0.977 3591 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 3591 G HN 0.946 nan 8.290 nan 0.000 0.531 3592 K N -0.987 119.426 120.400 0.021 0.000 2.395 3592 K HA 0.596 4.916 4.320 0.000 0.000 0.247 3592 K C 1.482 178.099 176.600 0.029 0.000 0.973 3592 K CA -0.608 55.693 56.287 0.022 0.000 0.828 3592 K CB 1.488 34.003 32.500 0.025 0.000 1.272 3592 K HN 0.188 nan 8.250 nan 0.000 0.439 3593 G N 0.623 109.439 108.800 0.027 0.000 2.462 3593 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 3593 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 3593 G C 1.198 176.118 174.900 0.034 0.000 1.121 3593 G CA 1.220 46.338 45.100 0.030 0.000 0.758 3593 G HN 0.624 nan 8.290 nan 0.000 0.559 3594 A N 1.296 124.136 122.820 0.034 0.000 2.168 3594 A HA 0.101 4.421 4.320 0.000 0.000 0.215 3594 A C 2.105 179.712 177.584 0.039 0.000 1.152 3594 A CA 1.480 53.538 52.037 0.033 0.000 0.716 3594 A CB -0.347 18.670 19.000 0.029 0.000 0.794 3594 A HN 0.649 nan 8.150 nan 0.000 0.465 3595 E N 1.496 121.727 120.200 0.051 0.000 2.267 3595 E HA -0.301 4.049 4.350 0.000 0.000 0.197 3595 E C 1.632 178.267 176.600 0.058 0.000 0.998 3595 E CA 1.395 57.836 56.400 0.069 0.000 0.830 3595 E CB -0.562 29.204 29.700 0.111 0.000 0.751 3595 E HN 0.782 nan 8.360 nan 0.000 0.491 3596 K N 0.930 121.359 120.400 0.048 0.000 2.218 3596 K HA -0.109 4.211 4.320 0.000 0.000 0.205 3596 K C 1.315 177.929 176.600 0.024 0.000 1.046 3596 K CA 1.581 57.890 56.287 0.037 0.000 0.933 3596 K CB -0.071 32.448 32.500 0.032 0.000 0.728 3596 K HN 0.164 nan 8.250 nan 0.000 0.454 3597 A N 1.696 124.529 122.820 0.023 0.000 2.674 3597 A HA 0.167 4.487 4.320 0.000 0.000 0.286 3597 A C 1.095 178.687 177.584 0.014 0.000 0.980 3597 A CA -0.677 51.368 52.037 0.015 0.000 1.028 3597 A CB 0.067 19.076 19.000 0.015 0.000 1.199 3597 A HN 0.408 nan 8.150 nan 0.000 0.499 3598 K N -0.132 120.278 120.400 0.016 0.000 2.280 3598 K HA -0.150 4.170 4.320 0.000 0.000 0.202 3598 K C 0.813 177.417 176.600 0.006 0.000 1.047 3598 K CA 1.807 58.104 56.287 0.016 0.000 0.942 3598 K CB -0.027 32.488 32.500 0.025 0.000 0.739 3598 K HN 0.311 nan 8.250 nan 0.000 0.457 3599 E N 1.550 121.749 120.200 -0.003 0.000 2.072 3599 E HA -0.135 4.215 4.350 0.000 0.000 0.190 3599 E C 1.886 178.485 176.600 -0.002 0.000 0.982 3599 E CA 1.235 57.630 56.400 -0.008 0.000 0.803 3599 E CB -0.037 29.654 29.700 -0.015 0.000 0.755 3599 E HN 0.251 nan 8.360 nan 0.000 0.453 3600 K N 0.651 121.052 120.400 0.002 0.000 2.097 3600 K HA -0.030 4.290 4.320 0.000 0.000 0.205 3600 K C 1.763 178.368 176.600 0.008 0.000 1.050 3600 K CA 0.933 57.223 56.287 0.005 0.000 0.938 3600 K CB -0.211 32.293 32.500 0.007 0.000 0.718 3600 K HN 0.084 nan 8.250 nan 0.000 0.442 3601 L N -0.170 121.059 121.223 0.010 0.000 2.056 3601 L HA -0.087 4.253 4.340 0.000 0.000 0.207 3601 L C 2.450 179.326 176.870 0.010 0.000 1.078 3601 L CA 1.202 56.050 54.840 0.012 0.000 0.749 3601 L CB -0.635 41.433 42.059 0.015 0.000 0.901 3601 L HN 0.254 nan 8.230 nan 0.000 0.433 3602 A N -0.157 122.668 122.820 0.009 0.000 1.933 3602 A HA -0.264 4.056 4.320 0.000 0.000 0.218 3602 A C 2.258 179.846 177.584 0.006 0.000 1.175 3602 A CA 1.886 53.928 52.037 0.008 0.000 0.628 3602 A CB -0.501 18.502 19.000 0.005 0.000 0.814 3602 A HN 0.494 nan 8.150 nan 0.000 0.444 3603 E N 0.320 120.523 120.200 0.005 0.000 2.031 3603 E HA -0.203 4.147 4.350 0.000 0.000 0.193 3603 E C 1.937 178.541 176.600 0.007 0.000 0.994 3603 E CA 1.760 58.163 56.400 0.005 0.000 0.800 3603 E CB -0.334 29.369 29.700 0.004 0.000 0.752 3603 E HN 0.773 nan 8.360 nan 0.000 0.447 3604 I N -1.660 118.916 120.570 0.009 0.000 2.676 3604 I HA -0.066 4.105 4.170 0.000 0.000 0.259 3604 I C 1.896 178.019 176.117 0.011 0.000 1.194 3604 I CA 0.512 61.819 61.300 0.011 0.000 1.473 3604 I CB -0.058 37.950 38.000 0.015 0.000 1.096 3604 I HN 0.044 nan 8.210 nan 0.000 0.443 3605 I N 0.834 121.410 120.570 0.010 0.000 2.406 3605 I HA -0.101 4.069 4.170 0.000 0.000 0.249 3605 I C 2.373 178.495 176.117 0.008 0.000 1.122 3605 I CA 1.050 62.356 61.300 0.009 0.000 1.431 3605 I CB -0.144 37.861 38.000 0.009 0.000 1.087 3605 I HN 0.042 nan 8.210 nan 0.000 0.424 3606 V N 0.186 120.104 119.914 0.008 0.000 2.453 3606 V HA -0.158 3.962 4.120 0.000 0.000 0.247 3606 V C 2.388 178.487 176.094 0.007 0.000 1.048 3606 V CA 1.361 63.666 62.300 0.007 0.000 1.049 3606 V CB -0.582 31.244 31.823 0.006 0.000 0.672 3606 V HN 0.359 nan 8.190 nan 0.000 0.457 3607 E N 0.525 120.730 120.200 0.008 0.000 2.106 3607 E HA -0.139 4.211 4.350 0.000 0.000 0.192 3607 E C 2.370 178.976 176.600 0.010 0.000 0.984 3607 E CA 1.373 57.779 56.400 0.009 0.000 0.806 3607 E CB -0.409 29.297 29.700 0.010 0.000 0.750 3607 E HN 0.559 nan 8.360 nan 0.000 0.458 3608 A N 1.090 123.916 122.820 0.009 0.000 1.902 3608 A HA -0.146 4.174 4.320 0.000 0.000 0.217 3608 A C 2.614 180.202 177.584 0.007 0.000 1.181 3608 A CA 1.510 53.552 52.037 0.008 0.000 0.623 3608 A CB -0.662 18.341 19.000 0.007 0.000 0.818 3608 A HN 0.131 nan 8.150 nan 0.000 0.443 3609 V N -0.334 119.583 119.914 0.006 0.000 2.307 3609 V HA -0.193 3.927 4.120 0.000 0.000 0.245 3609 V C 2.759 178.857 176.094 0.007 0.000 1.045 3609 V CA 2.285 64.589 62.300 0.006 0.000 1.024 3609 V CB -0.843 30.983 31.823 0.006 0.000 0.651 3609 V HN 0.545 nan 8.190 nan 0.000 0.449 3610 S N 0.180 115.884 115.700 0.008 0.000 2.399 3610 S HA -0.164 4.306 4.470 0.000 0.000 0.231 3610 S C 2.166 176.773 174.600 0.012 0.000 1.022 3610 S CA 1.352 59.557 58.200 0.009 0.000 0.983 3610 S CB -0.439 62.766 63.200 0.009 0.000 0.803 3610 S HN 0.646 nan 8.310 nan 0.000 0.480 3611 A N 1.173 124.000 122.820 0.012 0.000 1.873 3611 A HA -0.043 4.277 4.320 0.000 0.000 0.215 3611 A C 2.377 179.971 177.584 0.017 0.000 1.186 3611 A CA 1.756 53.803 52.037 0.016 0.000 0.616 3611 A CB -0.733 18.275 19.000 0.014 0.000 0.823 3611 A HN 0.561 nan 8.150 nan 0.000 0.442 3612 V N -3.409 116.512 119.914 0.011 0.000 3.174 3612 V HA 0.051 4.171 4.120 0.000 0.000 0.254 3612 V C 2.049 178.147 176.094 0.008 0.000 1.120 3612 V CA 1.220 63.526 62.300 0.009 0.000 1.114 3612 V CB -0.399 31.426 31.823 0.004 0.000 0.756 3612 V HN 0.192 nan 8.190 nan 0.000 0.467 3613 V N 0.732 120.650 119.914 0.007 0.000 2.626 3613 V HA -0.124 3.996 4.120 0.000 0.000 0.252 3613 V C 1.638 177.735 176.094 0.005 0.000 1.067 3613 V CA 2.548 64.851 62.300 0.005 0.000 1.081 3613 V CB -0.520 31.306 31.823 0.005 0.000 0.686 3613 V HN 0.847 nan 8.190 nan 0.000 0.468 3614 D N -0.729 119.676 120.400 0.008 0.000 4.438 3614 D HA -0.222 4.418 4.640 0.000 0.000 0.158 3614 D C 0.614 176.916 176.300 0.003 0.000 0.686 3614 D CA 1.959 55.963 54.000 0.006 0.000 1.183 3614 D CB -1.283 39.518 40.800 0.001 0.000 0.623 3614 D HN 0.586 nan 8.370 nan 0.000 0.521 3615 D N 1.134 121.533 120.400 -0.001 0.000 2.398 3615 D HA 0.316 4.956 4.640 0.000 0.000 0.247 3615 D C -0.311 175.989 176.300 -0.000 0.000 1.227 3615 D CA 0.211 54.210 54.000 -0.002 0.000 0.980 3615 D CB 0.491 41.288 40.800 -0.005 0.000 1.106 3615 D HN 0.119 nan 8.370 nan 0.000 0.493 3616 E N -0.408 119.792 120.200 -0.000 0.000 2.261 3616 E HA 0.618 4.968 4.350 0.000 0.000 0.239 3616 E C -0.236 176.365 176.600 0.000 0.000 0.991 3616 E CA -0.485 55.916 56.400 0.001 0.000 0.847 3616 E CB 0.970 30.671 29.700 0.001 0.000 1.223 3616 E HN 0.510 nan 8.360 nan 0.000 0.446 3617 G N 1.160 109.961 108.800 0.000 0.000 2.340 3617 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 3617 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 3617 G C -1.719 173.181 174.900 0.001 0.000 1.488 3617 G CA -0.906 44.194 45.100 0.001 0.000 0.878 3617 G HN 0.074 nan 8.290 nan 0.000 0.618 3618 K N 0.622 121.022 120.400 0.001 0.000 2.553 3618 K HA 0.572 4.892 4.320 0.000 0.000 0.250 3618 K C -1.327 175.273 176.600 0.001 0.000 0.953 3618 K CA -0.522 55.766 56.287 0.001 0.000 0.800 3618 K CB 2.150 34.650 32.500 -0.000 0.000 1.243 3618 K HN 0.527 nan 8.250 nan 0.000 0.435 3619 V N 3.290 123.205 119.914 0.002 0.000 2.398 3619 V HA 0.304 4.424 4.120 0.000 0.000 0.286 3619 V C -0.417 175.677 176.094 0.001 0.000 1.026 3619 V CA -0.712 61.589 62.300 0.001 0.000 0.868 3619 V CB 1.550 33.374 31.823 0.003 0.000 0.982 3619 V HN 0.652 nan 8.190 nan 0.000 0.443 3620 D N 3.475 123.875 120.400 -0.001 0.000 2.471 3620 D HA 0.317 4.958 4.640 0.000 0.000 0.245 3620 D C 0.739 177.037 176.300 -0.003 0.000 1.116 3620 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 3620 D CB 1.791 42.589 40.800 -0.004 0.000 1.123 3620 D HN 0.417 nan 8.370 nan 0.000 0.540 3621 K N 1.989 122.388 120.400 -0.003 0.000 2.442 3621 K HA -0.139 4.181 4.320 0.000 0.000 0.198 3621 K C 0.917 177.512 176.600 -0.008 0.000 1.044 3621 K CA 0.758 57.042 56.287 -0.005 0.000 0.948 3621 K CB 0.261 32.759 32.500 -0.003 0.000 0.762 3621 K HN 0.362 nan 8.250 nan 0.000 0.472 3622 D N 0.332 120.727 120.400 -0.009 0.000 2.219 3622 D HA -0.113 4.527 4.640 0.000 0.000 0.205 3622 D C 1.076 177.366 176.300 -0.017 0.000 0.970 3622 D CA 0.709 54.701 54.000 -0.014 0.000 0.851 3622 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 3622 D HN -0.027 nan 8.370 nan 0.000 0.488 3623 L N 0.523 121.737 121.223 -0.014 0.000 2.591 3623 L HA 0.246 4.586 4.340 0.000 0.000 0.228 3623 L C 0.057 176.917 176.870 -0.016 0.000 1.133 3623 L CA 0.471 55.301 54.840 -0.016 0.000 0.880 3623 L CB -0.525 41.528 42.059 -0.010 0.000 1.033 3623 L HN 0.161 nan 8.230 nan 0.000 0.450 3624 I N 0.320 120.880 120.570 -0.015 0.000 2.437 3624 I HA 0.196 4.366 4.170 0.000 0.000 0.279 3624 I C 0.320 176.425 176.117 -0.019 0.000 1.028 3624 I CA -0.351 60.941 61.300 -0.014 0.000 1.142 3624 I CB 1.698 39.693 38.000 -0.007 0.000 1.266 3624 I HN -0.038 nan 8.210 nan 0.000 0.461 3625 K N 6.468 126.852 120.400 -0.027 0.000 2.174 3625 K HA 0.478 4.798 4.320 0.000 0.000 0.275 3625 K C -0.708 175.874 176.600 -0.030 0.000 1.015 3625 K CA -0.543 55.723 56.287 -0.035 0.000 0.933 3625 K CB 1.062 33.530 32.500 -0.053 0.000 1.025 3625 K HN 0.438 nan 8.250 nan 0.000 0.463 3626 I N 4.694 125.247 120.570 -0.028 0.000 2.337 3626 I HA 0.238 4.408 4.170 0.000 0.000 0.285 3626 I C -0.152 175.947 176.117 -0.030 0.000 1.041 3626 I CA -0.405 60.881 61.300 -0.022 0.000 1.199 3626 I CB 0.955 38.945 38.000 -0.016 0.000 1.370 3626 I HN 0.610 nan 8.210 nan 0.000 0.470 3627 E N 6.320 126.501 120.200 -0.031 0.000 2.202 3627 E HA 0.516 4.866 4.350 0.000 0.000 0.272 3627 E C -0.361 176.227 176.600 -0.019 0.000 0.951 3627 E CA -0.643 55.735 56.400 -0.037 0.000 0.813 3627 E CB 2.953 32.616 29.700 -0.061 0.000 1.151 3627 E HN 0.507 nan 8.360 nan 0.000 0.398 3628 K N 0.583 120.972 120.400 -0.018 0.000 2.468 3628 K HA 0.674 4.994 4.320 0.000 0.000 0.252 3628 K C -0.960 175.637 176.600 -0.005 0.000 0.932 3628 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 3628 K CB 2.146 34.638 32.500 -0.014 0.000 1.241 3628 K HN 0.132 nan 8.250 nan 0.000 0.428 3629 K N 1.638 122.043 120.400 0.008 0.000 2.619 3629 K HA 0.187 4.507 4.320 0.000 0.000 0.251 3629 K C -1.087 175.525 176.600 0.020 0.000 0.987 3629 K CA -0.322 55.974 56.287 0.014 0.000 0.844 3629 K CB 1.811 34.327 32.500 0.027 0.000 1.237 3629 K HN 0.835 nan 8.250 nan 0.000 0.447 3630 S N 1.864 117.574 115.700 0.016 0.000 2.576 3630 S HA 0.694 5.164 4.470 0.000 0.000 0.272 3630 S C 0.496 175.112 174.600 0.025 0.000 1.352 3630 S CA 0.327 58.540 58.200 0.022 0.000 1.021 3630 S CB 0.697 63.911 63.200 0.024 0.000 0.887 3630 S HN 1.338 nan 8.310 nan 0.000 0.542 3631 G N -0.105 108.710 108.800 0.026 0.000 2.453 3631 G HA2 0.505 4.465 3.960 0.000 0.000 0.665 3631 G HA3 0.505 4.465 3.960 0.000 0.000 0.665 3631 G C -0.132 174.782 174.900 0.023 0.000 1.411 3631 G CA -0.131 44.984 45.100 0.024 0.000 0.889 3631 G HN 2.322 nan 8.290 nan 0.000 0.651 3632 A N -0.408 122.424 122.820 0.020 0.000 6.088 3632 A HA 0.405 4.726 4.320 0.000 0.000 0.261 3632 A C 1.369 178.964 177.584 0.018 0.000 2.138 3632 A CA 2.037 54.085 52.037 0.017 0.000 0.708 3632 A CB -1.814 17.196 19.000 0.018 0.000 1.068 3632 A HN 2.923 nan 8.150 nan 0.000 0.364 3633 S N -1.507 114.203 115.700 0.017 0.000 2.766 3633 S HA 0.781 5.251 4.470 0.000 0.000 0.307 3633 S C 1.071 175.683 174.600 0.019 0.000 1.121 3633 S CA -0.085 58.125 58.200 0.017 0.000 0.980 3633 S CB 1.088 64.296 63.200 0.014 0.000 1.159 3633 S HN 1.124 nan 8.310 nan 0.000 0.546 3634 I N 0.580 121.161 120.570 0.019 0.000 2.493 3634 I HA -0.093 4.077 4.170 0.000 0.000 0.254 3634 I C 2.167 178.294 176.117 0.017 0.000 1.160 3634 I CA 1.433 62.744 61.300 0.019 0.000 1.445 3634 I CB -0.493 37.519 38.000 0.020 0.000 1.086 3634 I HN 0.780 nan 8.210 nan 0.000 0.433 3635 D N 1.374 121.782 120.400 0.014 0.000 2.182 3635 D HA -0.223 4.417 4.640 0.000 0.000 0.201 3635 D C 1.387 177.695 176.300 0.013 0.000 0.986 3635 D CA 1.381 55.388 54.000 0.012 0.000 0.847 3635 D CB -0.025 40.781 40.800 0.009 0.000 0.942 3635 D HN 0.340 nan 8.370 nan 0.000 0.467 3636 D N -0.883 119.526 120.400 0.015 0.000 2.348 3636 D HA -0.019 4.621 4.640 0.000 0.000 0.216 3636 D C 0.246 176.561 176.300 0.024 0.000 0.970 3636 D CA 0.509 54.519 54.000 0.017 0.000 0.889 3636 D CB -0.068 40.742 40.800 0.017 0.000 0.912 3636 D HN 0.094 nan 8.370 nan 0.000 0.524 3637 T N 1.616 116.185 114.554 0.025 0.000 2.933 3637 T HA 0.099 4.449 4.350 0.000 0.000 0.306 3637 T C 0.271 174.989 174.700 0.031 0.000 1.045 3637 T CA 0.281 62.399 62.100 0.030 0.000 1.143 3637 T CB 0.338 69.221 68.868 0.024 0.000 1.003 3637 T HN 0.312 nan 8.240 nan 0.000 0.540 3638 E N 1.760 121.985 120.200 0.042 0.000 2.408 3638 E HA 0.602 4.952 4.350 0.000 0.000 0.275 3638 E C -1.561 175.071 176.600 0.053 0.000 0.935 3638 E CA -1.175 55.251 56.400 0.044 0.000 0.775 3638 E CB 1.257 30.985 29.700 0.047 0.000 1.277 3638 E HN 0.338 nan 8.360 nan 0.000 0.455 3639 L N 1.964 123.214 121.223 0.044 0.000 2.289 3639 L HA 0.477 4.817 4.340 0.000 0.000 0.285 3639 L C -1.429 175.478 176.870 0.061 0.000 1.049 3639 L CA -0.489 54.377 54.840 0.044 0.000 0.804 3639 L CB 1.061 43.137 42.059 0.028 0.000 1.195 3639 L HN 0.600 nan 8.230 nan 0.000 0.428 3640 I N 5.080 125.694 120.570 0.073 0.000 2.354 3640 I HA 0.290 4.460 4.170 0.000 0.000 0.286 3640 I C 0.205 176.358 176.117 0.060 0.000 1.007 3640 I CA -0.294 61.067 61.300 0.101 0.000 1.167 3640 I CB 1.187 39.292 38.000 0.176 0.000 1.320 3640 I HN 0.522 nan 8.210 nan 0.000 0.458 3641 K N 6.046 126.475 120.400 0.050 0.000 2.054 3641 K HA 0.474 4.794 4.320 0.000 0.000 0.242 3641 K C 0.322 176.940 176.600 0.030 0.000 1.157 3641 K CA 0.258 56.562 56.287 0.030 0.000 1.079 3641 K CB -0.405 32.107 32.500 0.020 0.000 1.331 3641 K HN 0.947 nan 8.250 nan 0.000 0.317 3642 G N 0.569 109.383 108.800 0.022 0.000 2.491 3642 G HA2 0.061 4.021 3.960 0.000 0.000 0.183 3642 G HA3 0.061 4.021 3.960 0.000 0.000 0.183 3642 G C -1.647 173.243 174.900 -0.017 0.000 1.221 3642 G CA -0.646 44.459 45.100 0.010 0.000 0.996 3642 G HN 0.171 nan 8.290 nan 0.000 0.474 3643 V N 0.803 120.693 119.914 -0.041 0.000 2.487 3643 V HA 0.704 4.824 4.120 0.000 0.000 0.298 3643 V C -0.832 175.177 176.094 -0.143 0.000 1.028 3643 V CA -0.595 61.644 62.300 -0.102 0.000 0.860 3643 V CB 1.453 33.184 31.823 -0.153 0.000 0.991 3643 V HN 0.945 nan 8.190 nan 0.000 0.427 3644 L N 7.512 128.615 121.223 -0.201 0.000 2.305 3644 L HA 0.838 5.178 4.340 0.000 0.000 0.284 3644 L C -0.367 176.336 176.870 -0.279 0.000 1.013 3644 L CA -0.173 54.448 54.840 -0.365 0.000 0.819 3644 L CB 1.686 43.432 42.059 -0.522 0.000 1.227 3644 L HN 0.582 nan 8.230 nan 0.000 0.417 3645 V N 1.565 121.327 119.914 -0.252 0.000 2.715 3645 V HA 0.632 4.752 4.120 0.000 0.000 0.310 3645 V C -0.352 175.670 176.094 -0.120 0.000 1.054 3645 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 3645 V CB 1.788 33.548 31.823 -0.106 0.000 1.007 3645 V HN 0.823 nan 8.190 nan 0.000 0.437 3646 D N 1.663 122.017 120.400 -0.076 0.000 3.134 3646 D HA 0.253 4.893 4.640 0.000 0.000 0.248 3646 D C 0.050 176.348 176.300 -0.004 0.000 1.273 3646 D CA -0.185 53.788 54.000 -0.045 0.000 0.904 3646 D CB -0.002 40.775 40.800 -0.040 0.000 1.089 3646 D HN 0.503 nan 8.370 nan 0.000 0.478 3647 K N 0.715 121.127 120.400 0.021 0.000 2.306 3647 K HA 0.412 4.732 4.320 0.000 0.000 0.236 3647 K C 0.524 177.156 176.600 0.053 0.000 1.013 3647 K CA -0.650 55.669 56.287 0.054 0.000 0.857 3647 K CB 2.338 34.907 32.500 0.114 0.000 1.214 3647 K HN 0.359 nan 8.250 nan 0.000 0.449 3648 E N 0.929 121.154 120.200 0.042 0.000 2.359 3648 E HA 0.361 4.711 4.350 0.000 0.000 0.266 3648 E C -0.686 175.920 176.600 0.010 0.000 0.920 3648 E CA -0.933 55.485 56.400 0.030 0.000 0.788 3648 E CB 1.283 30.997 29.700 0.023 0.000 1.279 3648 E HN 0.213 nan 8.360 nan 0.000 0.438 3649 R N 1.371 121.872 120.500 0.002 0.000 2.296 3649 R HA 0.097 4.437 4.340 0.000 0.000 0.323 3649 R C 1.379 177.671 176.300 -0.013 0.000 1.067 3649 R CA 0.230 56.318 56.100 -0.020 0.000 0.946 3649 R CB 0.418 30.707 30.300 -0.018 0.000 0.991 3649 R HN 0.568 nan 8.270 nan 0.000 0.448 3650 V N 0.010 119.912 119.914 -0.020 0.000 2.720 3650 V HA -0.090 4.030 4.120 0.000 0.000 0.256 3650 V C 0.922 177.013 176.094 -0.004 0.000 1.082 3650 V CA 1.149 63.444 62.300 -0.009 0.000 1.101 3650 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 3650 V HN 0.520 nan 8.190 nan 0.000 0.479 3651 S N -1.079 114.619 115.700 -0.005 0.000 2.526 3651 S HA 0.777 5.247 4.470 0.000 0.000 0.293 3651 S C 0.897 175.495 174.600 -0.004 0.000 1.092 3651 S CA -0.135 58.064 58.200 -0.002 0.000 0.980 3651 S CB 1.875 65.083 63.200 0.013 0.000 1.048 3651 S HN 0.708 nan 8.310 nan 0.000 0.483 3652 A N 2.951 125.766 122.820 -0.009 0.000 2.019 3652 A HA -0.082 4.238 4.320 0.000 0.000 0.219 3652 A C 1.907 179.490 177.584 -0.001 0.000 1.164 3652 A CA 1.720 53.753 52.037 -0.006 0.000 0.644 3652 A CB -0.651 18.341 19.000 -0.012 0.000 0.805 3652 A HN 0.901 nan 8.150 nan 0.000 0.449 3653 Q N -1.088 118.715 119.800 0.005 0.000 2.389 3653 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 3653 Q C 0.491 176.503 176.000 0.020 0.000 0.944 3653 Q CA -0.096 55.719 55.803 0.020 0.000 0.908 3653 Q CB -0.098 28.667 28.738 0.046 0.000 1.002 3653 Q HN 0.675 nan 8.270 nan 0.000 0.493 3654 M N 2.284 121.890 119.600 0.011 0.000 2.243 3654 M HA 0.186 4.666 4.480 0.000 0.000 0.341 3654 M C -2.026 174.271 176.300 -0.005 0.000 1.130 3654 M CA -1.787 53.512 55.300 -0.001 0.000 1.162 3654 M CB 0.406 32.997 32.600 -0.014 0.000 1.497 3654 M HN -0.044 nan 8.290 nan 0.000 0.456 3655 P HA 0.007 nan 4.420 nan 0.000 0.266 3655 P C -0.515 176.780 177.300 -0.009 0.000 1.193 3655 P CA 0.312 63.406 63.100 -0.010 0.000 0.770 3655 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 3656 K N 0.945 121.344 120.400 -0.001 0.000 2.367 3656 K HA 0.108 4.428 4.320 0.000 0.000 0.194 3656 K C 0.509 177.116 176.600 0.012 0.000 1.027 3656 K CA 0.349 56.640 56.287 0.006 0.000 1.075 3656 K CB 0.349 32.854 32.500 0.009 0.000 0.845 3656 K HN 0.330 nan 8.250 nan 0.000 0.529 3657 K N 0.974 121.378 120.400 0.006 0.000 2.550 3657 K HA 0.257 4.577 4.320 0.000 0.000 0.252 3657 K C -1.835 174.768 176.600 0.004 0.000 0.943 3657 K CA -0.494 55.799 56.287 0.010 0.000 0.806 3657 K CB 2.085 34.587 32.500 0.005 0.000 1.289 3657 K HN -0.239 nan 8.250 nan 0.000 0.435 3658 V N 2.887 122.807 119.914 0.010 0.000 2.531 3658 V HA 0.448 4.568 4.120 0.000 0.000 0.301 3658 V C -0.277 175.825 176.094 0.013 0.000 1.034 3658 V CA -0.716 61.588 62.300 0.006 0.000 0.865 3658 V CB 1.754 33.578 31.823 0.001 0.000 0.995 3658 V HN 0.936 nan 8.190 nan 0.000 0.424 3659 T N -0.088 114.470 114.554 0.007 0.000 2.859 3659 T HA 0.557 4.907 4.350 0.000 0.000 0.281 3659 T C -0.004 174.700 174.700 0.007 0.000 1.005 3659 T CA -0.334 61.770 62.100 0.007 0.000 1.025 3659 T CB 1.301 70.171 68.868 0.002 0.000 0.977 3659 T HN 0.778 nan 8.240 nan 0.000 0.458 3660 D N 0.666 121.071 120.400 0.008 0.000 2.697 3660 D HA -0.147 4.493 4.640 0.000 0.000 0.238 3660 D C 0.333 176.640 176.300 0.012 0.000 1.152 3660 D CA 0.867 54.872 54.000 0.008 0.000 0.666 3660 D CB -1.225 39.577 40.800 0.003 0.000 1.037 3660 D HN 1.118 nan 8.370 nan 0.000 0.423 3661 A N 1.480 124.312 122.820 0.020 0.000 2.462 3661 A HA 0.407 4.727 4.320 0.000 0.000 0.243 3661 A C 0.492 178.093 177.584 0.029 0.000 1.076 3661 A CA 0.129 52.181 52.037 0.026 0.000 0.773 3661 A CB 0.604 19.631 19.000 0.045 0.000 1.010 3661 A HN 0.159 nan 8.150 nan 0.000 0.493 3662 K N 2.635 123.048 120.400 0.023 0.000 2.389 3662 K HA 0.419 4.739 4.320 0.000 0.000 0.261 3662 K C -1.318 175.303 176.600 0.035 0.000 1.014 3662 K CA -0.163 56.139 56.287 0.024 0.000 0.920 3662 K CB 1.065 33.571 32.500 0.010 0.000 1.149 3662 K HN 0.529 nan 8.250 nan 0.000 0.444 3663 I N 2.072 122.680 120.570 0.063 0.000 2.331 3663 I HA 0.281 4.451 4.170 0.000 0.000 0.292 3663 I C 0.278 176.451 176.117 0.093 0.000 0.998 3663 I CA -0.317 61.048 61.300 0.109 0.000 1.267 3663 I CB 1.613 39.719 38.000 0.176 0.000 1.386 3663 I HN 0.502 nan 8.210 nan 0.000 0.476 3664 A N 7.373 130.248 122.820 0.092 0.000 2.330 3664 A HA 0.857 5.177 4.320 0.000 0.000 0.327 3664 A C -0.764 176.892 177.584 0.120 0.000 1.155 3664 A CA -0.560 51.521 52.037 0.075 0.000 0.803 3664 A CB 0.731 19.751 19.000 0.033 0.000 1.208 3664 A HN 0.674 nan 8.150 nan 0.000 0.477 3665 L N 3.186 124.466 121.223 0.094 0.000 2.324 3665 L HA 0.372 4.712 4.340 0.000 0.000 0.274 3665 L C -1.256 175.653 176.870 0.064 0.000 1.012 3665 L CA -0.552 54.347 54.840 0.098 0.000 0.859 3665 L CB 1.038 43.136 42.059 0.065 0.000 1.224 3665 L HN 0.499 nan 8.230 nan 0.000 0.429 3666 L N 2.770 124.034 121.223 0.068 0.000 2.309 3666 L HA 0.357 4.697 4.340 0.000 0.000 0.282 3666 L C 0.739 177.634 176.870 0.043 0.000 1.036 3666 L CA 0.210 55.077 54.840 0.045 0.000 0.806 3666 L CB 1.494 43.574 42.059 0.036 0.000 1.220 3666 L HN 0.422 nan 8.230 nan 0.000 0.429 3667 N N 0.455 119.173 118.700 0.030 0.000 2.407 3667 N HA 0.008 4.748 4.740 0.000 0.000 0.182 3667 N C 0.126 175.648 175.510 0.022 0.000 1.079 3667 N CA 0.012 53.078 53.050 0.025 0.000 0.882 3667 N CB 0.376 38.875 38.487 0.019 0.000 1.106 3667 N HN 0.586 nan 8.380 nan 0.000 0.461 3668 C N 1.915 121.227 119.300 0.020 0.000 2.585 3668 C HA 0.746 5.206 4.460 0.000 0.000 0.406 3668 C C 0.843 175.844 174.990 0.019 0.000 1.312 3668 C CA -0.959 58.070 59.018 0.018 0.000 1.924 3668 C CB -1.442 26.307 27.740 0.016 0.000 2.578 3668 C HN 0.507 nan 8.230 nan 0.000 0.580 3669 A N 6.294 129.125 122.820 0.018 0.000 2.540 3669 A HA 0.305 4.625 4.320 0.000 0.000 0.239 3669 A C 0.328 177.924 177.584 0.019 0.000 1.061 3669 A CA 0.121 52.169 52.037 0.019 0.000 0.758 3669 A CB -0.046 18.964 19.000 0.017 0.000 0.991 3669 A HN 0.898 nan 8.150 nan 0.000 0.502 3670 I N 2.589 123.171 120.570 0.020 0.000 2.204 3670 I HA 0.135 4.305 4.170 0.000 0.000 0.291 3670 I C -0.057 176.075 176.117 0.025 0.000 1.153 3670 I CA 0.615 61.929 61.300 0.022 0.000 1.546 3670 I CB -0.559 37.454 38.000 0.021 0.000 1.490 3670 I HN 0.627 nan 8.210 nan 0.000 0.697 3671 E N 4.661 124.874 120.200 0.022 0.000 2.302 3671 E HA 0.397 4.747 4.350 0.000 0.000 0.263 3671 E C -0.989 175.623 176.600 0.019 0.000 0.897 3671 E CA -0.599 55.814 56.400 0.021 0.000 0.809 3671 E CB 2.045 31.756 29.700 0.018 0.000 1.270 3671 E HN 0.235 nan 8.360 nan 0.000 0.410 3672 E N 1.903 122.115 120.200 0.020 0.000 2.275 3672 E HA 0.235 4.585 4.350 0.000 0.000 0.270 3672 E C -0.739 175.869 176.600 0.014 0.000 0.882 3672 E CA -0.612 55.798 56.400 0.017 0.000 0.758 3672 E CB 2.270 31.981 29.700 0.019 0.000 1.195 3672 E HN 0.287 nan 8.360 nan 0.000 0.419 3673 T N 1.492 116.052 114.554 0.010 0.000 2.946 3673 T HA 0.358 4.708 4.350 0.000 0.000 0.311 3673 T C 0.180 174.883 174.700 0.005 0.000 1.063 3673 T CA 0.840 62.944 62.100 0.007 0.000 1.139 3673 T CB 0.286 69.158 68.868 0.006 0.000 0.994 3673 T HN 0.732 nan 8.240 nan 0.000 0.547 3674 A N 2.899 125.720 122.820 0.002 0.000 2.435 3674 A HA -0.084 4.236 4.320 0.000 0.000 0.686 3674 A C 1.364 178.945 177.584 -0.006 0.000 0.138 3674 A CA 0.080 52.115 52.037 -0.003 0.000 0.024 3674 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 3674 A HN 0.800 nan 8.150 nan 0.000 0.548 3675 S N 0.524 116.213 115.700 -0.018 0.000 2.406 3675 S HA -0.079 4.391 4.470 0.000 0.000 0.228 3675 S C 1.689 176.262 174.600 -0.045 0.000 1.020 3675 S CA 1.335 59.514 58.200 -0.035 0.000 0.965 3675 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 3675 S HN 0.736 nan 8.310 nan 0.000 0.488 3676 E N 1.137 121.315 120.200 -0.036 0.000 2.072 3676 E HA -0.010 4.340 4.350 0.000 0.000 0.191 3676 E C 1.962 178.559 176.600 -0.006 0.000 0.985 3676 E CA 0.859 57.241 56.400 -0.030 0.000 0.801 3676 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 3676 E HN 0.409 nan 8.360 nan 0.000 0.452 3677 M N 0.013 119.614 119.600 0.000 0.000 2.200 3677 M HA -0.065 4.415 4.480 0.000 0.000 0.265 3677 M C 2.315 178.630 176.300 0.024 0.000 1.066 3677 M CA 0.730 56.037 55.300 0.012 0.000 1.127 3677 M CB -0.810 31.796 32.600 0.009 0.000 1.379 3677 M HN 0.090 nan 8.290 nan 0.000 0.420 3678 L N 0.669 121.907 121.223 0.024 0.000 2.072 3678 L HA -0.069 4.271 4.340 0.000 0.000 0.205 3678 L C 2.120 179.037 176.870 0.079 0.000 1.079 3678 L CA 1.841 56.706 54.840 0.041 0.000 0.752 3678 L CB -0.570 41.509 42.059 0.034 0.000 0.906 3678 L HN 0.162 nan 8.230 nan 0.000 0.436 3679 K N -0.674 119.772 120.400 0.077 0.000 2.283 3679 K HA -0.170 4.150 4.320 0.000 0.000 0.202 3679 K C 1.691 178.419 176.600 0.213 0.000 1.048 3679 K CA 1.084 57.482 56.287 0.185 0.000 0.948 3679 K CB -0.156 32.303 32.500 -0.067 0.000 0.742 3679 K HN 0.315 nan 8.250 nan 0.000 0.458 3680 D N 0.837 121.299 120.400 0.103 0.000 2.117 3680 D HA -0.131 4.509 4.640 0.000 0.000 0.197 3680 D C 1.796 178.134 176.300 0.064 0.000 0.987 3680 D CA 1.100 55.147 54.000 0.077 0.000 0.829 3680 D CB 0.174 41.000 40.800 0.043 0.000 0.961 3680 D HN -0.012 nan 8.370 nan 0.000 0.460 3681 M N -0.043 119.592 119.600 0.058 0.000 2.117 3681 M HA -0.095 4.385 4.480 0.000 0.000 0.262 3681 M C 2.332 178.646 176.300 0.024 0.000 1.065 3681 M CA 0.639 55.961 55.300 0.037 0.000 1.114 3681 M CB -0.877 31.744 32.600 0.036 0.000 1.361 3681 M HN -0.017 nan 8.290 nan 0.000 0.408 3682 V N 0.478 120.419 119.914 0.045 0.000 2.358 3682 V HA -0.193 3.927 4.120 0.000 0.000 0.246 3682 V C 2.717 178.751 176.094 -0.100 0.000 1.047 3682 V CA 1.724 64.007 62.300 -0.027 0.000 1.035 3682 V CB -1.330 30.496 31.823 0.006 0.000 0.658 3682 V HN 0.474 nan 8.190 nan 0.000 0.452 3683 A N -0.463 122.348 122.820 -0.015 0.000 1.933 3683 A HA -0.223 4.097 4.320 0.000 0.000 0.218 3683 A C 2.177 179.746 177.584 -0.025 0.000 1.175 3683 A CA 1.756 53.780 52.037 -0.021 0.000 0.628 3683 A CB -0.420 18.631 19.000 0.085 0.000 0.814 3683 A HN 0.614 nan 8.150 nan 0.000 0.444 3684 E N -0.388 119.809 120.200 -0.006 0.000 2.106 3684 E HA -0.116 4.234 4.350 0.000 0.000 0.192 3684 E C 1.838 178.426 176.600 -0.019 0.000 0.984 3684 E CA 0.992 57.389 56.400 -0.006 0.000 0.806 3684 E CB -0.250 29.452 29.700 0.005 0.000 0.750 3684 E HN 0.709 nan 8.360 nan 0.000 0.458 3685 I N 1.115 121.666 120.570 -0.032 0.000 2.179 3685 I HA -0.281 3.889 4.170 0.000 0.000 0.242 3685 I C 2.485 178.572 176.117 -0.050 0.000 1.088 3685 I CA 1.058 62.335 61.300 -0.039 0.000 1.357 3685 I CB -0.150 37.819 38.000 -0.051 0.000 1.051 3685 I HN -0.021 nan 8.210 nan 0.000 0.409 3686 K N 1.630 121.984 120.400 -0.076 0.000 2.057 3686 K HA -0.124 4.196 4.320 0.000 0.000 0.207 3686 K C 2.038 178.610 176.600 -0.047 0.000 1.049 3686 K CA 1.727 57.967 56.287 -0.079 0.000 0.931 3686 K CB -0.406 32.022 32.500 -0.121 0.000 0.714 3686 K HN 0.276 nan 8.250 nan 0.000 0.440 3687 A N -0.100 122.698 122.820 -0.036 0.000 1.933 3687 A HA -0.121 4.199 4.320 0.000 0.000 0.218 3687 A C 2.176 179.752 177.584 -0.014 0.000 1.175 3687 A CA 2.087 54.112 52.037 -0.019 0.000 0.628 3687 A CB -0.755 18.239 19.000 -0.010 0.000 0.814 3687 A HN 0.365 nan 8.150 nan 0.000 0.444 3688 S N -1.740 113.952 115.700 -0.014 0.000 2.474 3688 S HA 0.247 4.717 4.470 0.000 0.000 0.235 3688 S C 1.509 176.105 174.600 -0.008 0.000 0.997 3688 S CA 1.159 59.355 58.200 -0.008 0.000 0.949 3688 S CB -0.141 63.056 63.200 -0.005 0.000 0.766 3688 S HN 1.678 nan 8.310 nan 0.000 0.517 3689 G N 0.687 109.477 108.800 -0.015 0.000 2.159 3689 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 3689 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 3689 G C 0.108 174.998 174.900 -0.017 0.000 0.986 3689 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 3689 G HN 0.828 nan 8.290 nan 0.000 0.523 3690 A N 0.038 122.846 122.820 -0.021 0.000 2.477 3690 A HA 0.637 4.957 4.320 0.000 0.000 0.246 3690 A C 1.106 178.668 177.584 -0.037 0.000 1.078 3690 A CA 0.722 52.747 52.037 -0.021 0.000 0.770 3690 A CB 0.216 19.204 19.000 -0.020 0.000 1.011 3690 A HN 0.334 nan 8.150 nan 0.000 0.494 3691 N N 0.608 119.289 118.700 -0.032 0.000 2.257 3691 N HA 0.125 4.865 4.740 0.000 0.000 0.200 3691 N C -0.678 174.794 175.510 -0.063 0.000 1.163 3691 N CA 0.448 53.472 53.050 -0.044 0.000 0.891 3691 N CB 1.045 39.515 38.487 -0.029 0.000 1.067 3691 N HN 0.383 nan 8.380 nan 0.000 0.497 3692 V N 2.512 122.389 119.914 -0.062 0.000 2.540 3692 V HA 0.458 4.578 4.120 0.000 0.000 0.302 3692 V C -0.695 175.312 176.094 -0.145 0.000 1.035 3692 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 3692 V CB 2.992 34.780 31.823 -0.058 0.000 0.992 3692 V HN 0.023 nan 8.190 nan 0.000 0.428 3693 L N 5.629 126.679 121.223 -0.287 0.000 2.446 3693 L HA 0.604 4.944 4.340 0.000 0.000 0.268 3693 L C -1.831 174.829 176.870 -0.351 0.000 0.975 3693 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 3693 L CB 1.471 43.456 42.059 -0.123 0.000 1.225 3693 L HN 0.581 nan 8.230 nan 0.000 0.410 3694 F N 4.419 124.366 119.950 -0.004 0.000 2.388 3694 F HA 0.336 4.863 4.527 -0.000 0.000 0.358 3694 F C 0.525 176.323 175.800 -0.004 0.000 1.122 3694 F CA -0.408 57.589 58.000 -0.005 0.000 1.056 3694 F CB 1.350 40.346 39.000 -0.007 0.000 1.155 3694 F HN 0.445 nan 8.300 nan 0.000 0.461 3695 C N 5.261 124.643 119.300 0.137 0.000 2.303 3695 C HA 0.218 4.678 4.460 0.000 0.000 0.326 3695 C C 1.629 176.670 174.990 0.085 0.000 1.285 3695 C CA -0.463 58.606 59.018 0.084 0.000 1.675 3695 C CB 0.642 28.408 27.740 0.042 0.000 2.289 3695 C HN 0.952 nan 8.230 nan 0.000 0.512 3696 Q N 3.202 123.041 119.800 0.066 0.000 2.124 3696 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 3696 Q C 1.089 177.109 176.000 0.035 0.000 0.977 3696 Q CA 1.592 57.423 55.803 0.046 0.000 0.850 3696 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 3696 Q HN 0.704 nan 8.270 nan 0.000 0.429 3697 K N -0.712 119.706 120.400 0.031 0.000 2.842 3697 K HA 0.350 4.670 4.320 0.000 0.000 0.310 3697 K C 0.496 177.111 176.600 0.026 0.000 0.992 3697 K CA 0.059 56.361 56.287 0.024 0.000 1.207 3697 K CB -0.739 31.773 32.500 0.020 0.000 1.478 3697 K HN 0.131 nan 8.250 nan 0.000 0.601 3698 G N 0.261 109.073 108.800 0.021 0.000 2.562 3698 G HA2 0.535 4.495 3.960 0.000 0.000 0.275 3698 G HA3 0.535 4.495 3.960 0.000 0.000 0.275 3698 G C -0.472 174.439 174.900 0.019 0.000 1.196 3698 G CA -0.557 44.554 45.100 0.019 0.000 0.908 3698 G HN 0.313 nan 8.290 nan 0.000 0.524 3699 I N 0.677 121.258 120.570 0.018 0.000 2.478 3699 I HA 0.166 4.336 4.170 0.000 0.000 0.287 3699 I C -0.531 175.600 176.117 0.022 0.000 1.042 3699 I CA -0.766 60.545 61.300 0.019 0.000 1.067 3699 I CB 2.038 40.045 38.000 0.012 0.000 1.233 3699 I HN 0.415 nan 8.210 nan 0.000 0.431 3700 D N 4.932 125.349 120.400 0.027 0.000 2.414 3700 D HA -0.049 4.591 4.640 0.000 0.000 0.242 3700 D C 0.613 176.937 176.300 0.040 0.000 1.129 3700 D CA 0.175 54.194 54.000 0.031 0.000 0.885 3700 D CB 1.341 42.161 40.800 0.033 0.000 1.198 3700 D HN 0.484 nan 8.370 nan 0.000 0.437 3701 D N 2.790 123.212 120.400 0.036 0.000 2.158 3701 D HA -0.185 4.455 4.640 0.000 0.000 0.197 3701 D C 1.770 178.118 176.300 0.079 0.000 0.995 3701 D CA 0.610 54.635 54.000 0.042 0.000 0.846 3701 D CB -0.032 40.783 40.800 0.024 0.000 0.941 3701 D HN 0.454 nan 8.370 nan 0.000 0.456 3702 L N 0.187 121.459 121.223 0.082 0.000 2.056 3702 L HA -0.139 4.201 4.340 0.000 0.000 0.207 3702 L C 2.184 179.136 176.870 0.136 0.000 1.078 3702 L CA 1.416 56.324 54.840 0.112 0.000 0.749 3702 L CB -0.165 41.934 42.059 0.067 0.000 0.901 3702 L HN -0.021 nan 8.230 nan 0.000 0.433 3703 A N -0.638 122.246 122.820 0.105 0.000 1.933 3703 A HA -0.251 4.069 4.320 0.000 0.000 0.218 3703 A C 2.085 179.733 177.584 0.107 0.000 1.175 3703 A CA 1.644 53.748 52.037 0.111 0.000 0.628 3703 A CB -0.486 18.555 19.000 0.069 0.000 0.814 3703 A HN 0.637 nan 8.150 nan 0.000 0.444 3704 Q N -1.417 118.439 119.800 0.093 0.000 2.084 3704 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 3704 Q C 2.050 178.136 176.000 0.142 0.000 0.978 3704 Q CA 1.630 57.480 55.803 0.079 0.000 0.844 3704 Q CB -0.388 28.382 28.738 0.054 0.000 0.898 3704 Q HN 0.944 nan 8.270 nan 0.000 0.426 3705 H N -0.859 118.244 119.070 0.056 0.000 2.293 3705 H HA -0.196 4.360 4.556 0.000 0.000 0.300 3705 H C 1.940 177.349 175.328 0.134 0.000 1.082 3705 H CA 1.171 57.262 56.048 0.070 0.000 1.308 3705 H CB 0.114 29.910 29.762 0.057 0.000 1.375 3705 H HN 0.238 nan 8.280 nan 0.000 0.495 3706 Y N 1.304 121.600 120.300 -0.007 0.000 2.293 3706 Y HA -0.132 4.418 4.550 -0.000 0.000 0.291 3706 Y C 2.334 178.213 175.900 -0.036 0.000 1.137 3706 Y CA 0.920 58.964 58.100 -0.094 0.000 1.202 3706 Y CB -0.557 37.854 38.460 -0.082 0.000 0.990 3706 Y HN 0.206 nan 8.280 nan 0.000 0.537 3707 L N -0.575 120.644 121.223 -0.007 0.000 2.042 3707 L HA -0.256 4.084 4.340 0.000 0.000 0.210 3707 L C 2.713 179.543 176.870 -0.066 0.000 1.076 3707 L CA 1.340 56.120 54.840 -0.100 0.000 0.749 3707 L CB -0.881 41.150 42.059 -0.047 0.000 0.893 3707 L HN 0.235 nan 8.230 nan 0.000 0.432 3708 A N -0.162 122.669 122.820 0.017 0.000 1.933 3708 A HA -0.212 4.108 4.320 0.000 0.000 0.218 3708 A C 2.290 179.893 177.584 0.031 0.000 1.175 3708 A CA 1.580 53.639 52.037 0.036 0.000 0.628 3708 A CB -0.317 18.740 19.000 0.094 0.000 0.814 3708 A HN 0.330 nan 8.150 nan 0.000 0.444 3709 K N -0.404 120.025 120.400 0.048 0.000 2.211 3709 K HA -0.067 4.253 4.320 0.000 0.000 0.203 3709 K C 1.137 177.722 176.600 -0.024 0.000 1.050 3709 K CA 1.109 57.424 56.287 0.046 0.000 0.945 3709 K CB 0.024 32.605 32.500 0.134 0.000 0.732 3709 K HN 0.391 nan 8.250 nan 0.000 0.451 3710 E N -0.399 119.727 120.200 -0.122 0.000 2.479 3710 E HA 0.027 4.377 4.350 0.000 0.000 0.193 3710 E C 0.809 177.351 176.600 -0.097 0.000 1.049 3710 E CA 0.380 56.685 56.400 -0.158 0.000 0.870 3710 E CB 0.744 30.261 29.700 -0.305 0.000 0.944 3710 E HN 0.448 nan 8.360 nan 0.000 0.492 3711 G N 2.042 110.803 108.800 -0.066 0.000 2.160 3711 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 3711 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 3711 G C 0.235 175.100 174.900 -0.058 0.000 1.008 3711 G CA 0.179 45.251 45.100 -0.046 0.000 0.724 3711 G HN 0.265 nan 8.290 nan 0.000 0.514 3712 I N 0.940 121.463 120.570 -0.078 0.000 2.331 3712 I HA 0.437 4.607 4.170 0.000 0.000 0.292 3712 I C 0.984 177.051 176.117 -0.083 0.000 0.998 3712 I CA -1.154 60.093 61.300 -0.087 0.000 1.267 3712 I CB 1.632 39.567 38.000 -0.108 0.000 1.386 3712 I HN 0.144 nan 8.210 nan 0.000 0.476 3713 V N 3.748 123.604 119.914 -0.096 0.000 2.509 3713 V HA 0.915 5.035 4.120 0.000 0.000 0.284 3713 V C 0.050 176.035 176.094 -0.181 0.000 1.047 3713 V CA -0.260 61.971 62.300 -0.115 0.000 0.952 3713 V CB 1.161 32.919 31.823 -0.108 0.000 0.988 3713 V HN 0.829 nan 8.190 nan 0.000 0.469 3714 A N 3.604 126.322 122.820 -0.169 0.000 2.515 3714 A HA 1.007 5.327 4.320 0.000 0.000 0.298 3714 A C -0.350 177.130 177.584 -0.172 0.000 1.059 3714 A CA -0.298 51.620 52.037 -0.197 0.000 0.698 3714 A CB 1.858 20.790 19.000 -0.113 0.000 1.289 3714 A HN 2.349 nan 8.150 nan 0.000 0.404 3715 A N 1.754 124.457 122.820 -0.195 0.000 2.374 3715 A HA 0.773 5.093 4.320 0.000 0.000 0.305 3715 A C -0.082 177.504 177.584 0.003 0.000 1.053 3715 A CA -0.674 51.321 52.037 -0.071 0.000 0.726 3715 A CB 0.933 19.917 19.000 -0.027 0.000 1.229 3715 A HN 1.237 nan 8.150 nan 0.000 0.431 3716 R N 1.659 122.171 120.500 0.020 0.000 2.691 3716 R HA 0.734 5.074 4.340 0.000 0.000 0.259 3716 R C -0.401 175.927 176.300 0.046 0.000 1.048 3716 R CA -0.787 55.332 56.100 0.033 0.000 1.086 3716 R CB 0.447 30.758 30.300 0.020 0.000 1.166 3716 R HN 0.523 nan 8.270 nan 0.000 0.526 3717 R N -0.892 119.632 120.500 0.040 0.000 3.525 3717 R HA -0.109 4.231 4.340 0.000 0.000 0.276 3717 R C -0.744 175.580 176.300 0.041 0.000 1.116 3717 R CA 0.538 56.658 56.100 0.033 0.000 0.745 3717 R CB -2.607 27.707 30.300 0.024 0.000 1.185 3717 R HN 0.534 nan 8.270 nan 0.000 0.454 3718 V N 1.492 121.443 119.914 0.061 0.000 2.572 3718 V HA 0.049 4.169 4.120 0.000 0.000 0.291 3718 V C 1.474 177.582 176.094 0.023 0.000 1.039 3718 V CA -0.173 62.166 62.300 0.065 0.000 1.055 3718 V CB 1.235 33.132 31.823 0.123 0.000 0.969 3718 V HN 0.147 nan 8.190 nan 0.000 0.482 3719 K N 3.487 123.887 120.400 -0.001 0.000 2.484 3719 K HA -0.046 4.274 4.320 0.000 0.000 0.280 3719 K C 1.204 177.791 176.600 -0.021 0.000 1.013 3719 K CA -0.135 56.143 56.287 -0.014 0.000 1.029 3719 K CB 0.422 32.906 32.500 -0.027 0.000 0.902 3719 K HN 0.607 nan 8.250 nan 0.000 0.481 3720 K N 2.349 122.741 120.400 -0.014 0.000 2.103 3720 K HA -0.168 4.152 4.320 0.000 0.000 0.207 3720 K C 1.889 178.473 176.600 -0.026 0.000 1.048 3720 K CA 2.046 58.325 56.287 -0.014 0.000 0.930 3720 K CB -0.407 32.088 32.500 -0.008 0.000 0.716 3720 K HN 0.577 nan 8.250 nan 0.000 0.444 3721 S N 0.247 115.929 115.700 -0.030 0.000 2.368 3721 S HA -0.144 4.326 4.470 0.000 0.000 0.225 3721 S C 1.338 175.903 174.600 -0.058 0.000 1.030 3721 S CA 1.655 59.832 58.200 -0.038 0.000 0.999 3721 S CB -0.466 62.714 63.200 -0.035 0.000 0.844 3721 S HN 0.394 nan 8.310 nan 0.000 0.459 3722 D N 0.848 121.205 120.400 -0.072 0.000 2.218 3722 D HA -0.036 4.604 4.640 0.000 0.000 0.204 3722 D C 1.947 178.158 176.300 -0.148 0.000 0.976 3722 D CA 0.795 54.726 54.000 -0.116 0.000 0.853 3722 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 3722 D HN 0.390 nan 8.370 nan 0.000 0.481 3723 M N 0.345 119.884 119.600 -0.101 0.000 2.117 3723 M HA -0.106 4.374 4.480 0.000 0.000 0.262 3723 M C 2.023 178.278 176.300 -0.075 0.000 1.065 3723 M CA 1.015 56.263 55.300 -0.087 0.000 1.114 3723 M CB -0.777 31.804 32.600 -0.032 0.000 1.361 3723 M HN 0.047 nan 8.290 nan 0.000 0.408 3724 E N 0.993 121.157 120.200 -0.059 0.000 2.150 3724 E HA -0.154 4.196 4.350 0.000 0.000 0.193 3724 E C 1.775 178.341 176.600 -0.057 0.000 0.985 3724 E CA 1.039 57.412 56.400 -0.046 0.000 0.814 3724 E CB 0.085 29.764 29.700 -0.034 0.000 0.752 3724 E HN 0.488 nan 8.360 nan 0.000 0.466 3725 K N 0.203 120.556 120.400 -0.077 0.000 2.057 3725 K HA -0.070 4.250 4.320 0.000 0.000 0.206 3725 K C 2.422 178.964 176.600 -0.098 0.000 1.050 3725 K CA 0.997 57.233 56.287 -0.083 0.000 0.935 3725 K CB -0.102 32.338 32.500 -0.099 0.000 0.715 3725 K HN 0.157 nan 8.250 nan 0.000 0.439 3726 L N 0.525 121.662 121.223 -0.144 0.000 2.093 3726 L HA -0.154 4.186 4.340 0.000 0.000 0.208 3726 L C 2.580 179.403 176.870 -0.079 0.000 1.085 3726 L CA 0.941 55.684 54.840 -0.161 0.000 0.755 3726 L CB -0.525 41.359 42.059 -0.292 0.000 0.904 3726 L HN 0.199 nan 8.230 nan 0.000 0.435 3727 A N -0.226 122.560 122.820 -0.057 0.000 1.898 3727 A HA -0.167 4.153 4.320 0.000 0.000 0.216 3727 A C 2.351 179.926 177.584 -0.015 0.000 1.181 3727 A CA 1.348 53.371 52.037 -0.024 0.000 0.620 3727 A CB -0.245 18.744 19.000 -0.019 0.000 0.819 3727 A HN 0.172 nan 8.150 nan 0.000 0.442 3728 K N -0.138 120.249 120.400 -0.022 0.000 2.057 3728 K HA -0.012 4.308 4.320 0.000 0.000 0.206 3728 K C 2.317 178.915 176.600 -0.003 0.000 1.050 3728 K CA 1.289 57.569 56.287 -0.011 0.000 0.935 3728 K CB -0.682 31.809 32.500 -0.016 0.000 0.715 3728 K HN 0.442 nan 8.250 nan 0.000 0.439 3729 A N 1.241 124.051 122.820 -0.016 0.000 1.832 3729 A HA -0.139 4.181 4.320 0.000 0.000 0.214 3729 A C 2.337 179.924 177.584 0.005 0.000 1.200 3729 A CA 2.619 54.651 52.037 -0.009 0.000 0.610 3729 A CB -1.075 17.907 19.000 -0.030 0.000 0.842 3729 A HN 0.475 nan 8.150 nan 0.000 0.444 3730 T N -4.202 110.352 114.554 -0.000 0.000 3.043 3730 T HA 0.364 4.714 4.350 0.000 0.000 0.263 3730 T C 1.420 176.135 174.700 0.025 0.000 1.094 3730 T CA 1.223 63.332 62.100 0.015 0.000 1.127 3730 T CB -0.131 68.750 68.868 0.023 0.000 0.905 3730 T HN 1.862 nan 8.240 nan 0.000 0.490 3731 G N 1.392 110.204 108.800 0.021 0.000 2.147 3731 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 3731 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 3731 G C 0.215 175.128 174.900 0.022 0.000 1.005 3731 G CA -0.036 45.079 45.100 0.024 0.000 0.713 3731 G HN 1.172 nan 8.290 nan 0.000 0.515 3732 A N -0.413 122.419 122.820 0.020 0.000 2.371 3732 A HA 0.643 4.963 4.320 0.000 0.000 0.257 3732 A C 0.385 177.980 177.584 0.019 0.000 1.089 3732 A CA 0.280 52.333 52.037 0.026 0.000 0.794 3732 A CB 0.521 19.544 19.000 0.038 0.000 1.029 3732 A HN 0.756 nan 8.150 nan 0.000 0.488 3733 N N 1.278 119.991 118.700 0.022 0.000 2.424 3733 N HA 0.369 5.109 4.740 0.000 0.000 0.271 3733 N C -0.916 174.605 175.510 0.020 0.000 0.985 3733 N CA -0.344 52.716 53.050 0.016 0.000 0.921 3733 N CB 1.273 39.769 38.487 0.015 0.000 1.149 3733 N HN 0.280 nan 8.380 nan 0.000 0.492 3734 V N 4.928 124.851 119.914 0.014 0.000 2.446 3734 V HA 0.148 4.268 4.120 0.000 0.000 0.276 3734 V C 0.480 176.584 176.094 0.016 0.000 1.030 3734 V CA -0.169 62.141 62.300 0.016 0.000 1.033 3734 V CB -0.835 30.994 31.823 0.009 0.000 0.993 3734 V HN 0.579 nan 8.190 nan 0.000 0.477 3735 I N 2.372 122.953 120.570 0.020 0.000 2.603 3735 I HA 0.633 4.803 4.170 0.000 0.000 0.300 3735 I C 0.663 176.790 176.117 0.016 0.000 1.017 3735 I CA 0.108 61.418 61.300 0.016 0.000 1.098 3735 I CB 1.964 39.974 38.000 0.017 0.000 1.279 3735 I HN 0.341 nan 8.210 nan 0.000 0.437 3736 T N 1.390 115.952 114.554 0.013 0.000 2.815 3736 T HA 0.091 4.441 4.350 0.000 0.000 0.244 3736 T C 0.727 175.435 174.700 0.013 0.000 1.040 3736 T CA 0.873 62.981 62.100 0.013 0.000 1.176 3736 T CB -0.259 68.615 68.868 0.010 0.000 0.880 3736 T HN 0.677 nan 8.240 nan 0.000 0.414 3737 N N 1.123 119.830 118.700 0.011 0.000 2.472 3737 N HA 0.240 4.980 4.740 0.000 0.000 0.277 3737 N C 0.872 176.389 175.510 0.012 0.000 1.081 3737 N CA -0.130 52.927 53.050 0.011 0.000 0.973 3737 N CB 0.675 39.167 38.487 0.010 0.000 1.105 3737 N HN 0.175 nan 8.380 nan 0.000 0.470 3738 I N 2.350 122.927 120.570 0.012 0.000 2.361 3738 I HA -0.248 3.922 4.170 0.000 0.000 0.251 3738 I C 2.019 178.142 176.117 0.010 0.000 1.133 3738 I CA 0.855 62.162 61.300 0.012 0.000 1.413 3738 I CB -0.041 37.967 38.000 0.013 0.000 1.073 3738 I HN 0.510 nan 8.210 nan 0.000 0.424 3739 K N 1.390 121.796 120.400 0.010 0.000 2.103 3739 K HA -0.222 4.098 4.320 0.000 0.000 0.207 3739 K C 1.332 177.937 176.600 0.008 0.000 1.048 3739 K CA 1.781 58.074 56.287 0.009 0.000 0.930 3739 K CB -0.231 32.275 32.500 0.009 0.000 0.716 3739 K HN 0.252 nan 8.250 nan 0.000 0.444 3740 D N -0.510 119.895 120.400 0.009 0.000 2.277 3740 D HA -0.029 4.611 4.640 0.000 0.000 0.208 3740 D C -0.170 176.135 176.300 0.009 0.000 0.962 3740 D CA 0.172 54.177 54.000 0.008 0.000 0.865 3740 D CB -0.012 40.793 40.800 0.009 0.000 0.939 3740 D HN 0.089 nan 8.370 nan 0.000 0.510 3741 L N 1.171 122.400 121.223 0.009 0.000 2.601 3741 L HA 0.103 4.443 4.340 0.000 0.000 0.277 3741 L C 0.159 177.034 176.870 0.007 0.000 1.219 3741 L CA 0.311 55.156 54.840 0.009 0.000 0.915 3741 L CB 0.047 42.111 42.059 0.009 0.000 1.160 3741 L HN -0.008 nan 8.230 nan 0.000 0.494 3742 S N 3.293 118.997 115.700 0.008 0.000 2.661 3742 S HA 0.788 5.258 4.470 0.000 0.000 0.285 3742 S C 0.774 175.378 174.600 0.007 0.000 1.138 3742 S CA -0.393 57.811 58.200 0.006 0.000 0.855 3742 S CB 1.270 64.474 63.200 0.006 0.000 1.136 3742 S HN 0.842 nan 8.310 nan 0.000 0.484 3743 A N 0.559 123.382 122.820 0.005 0.000 1.978 3743 A HA -0.083 4.237 4.320 0.000 0.000 0.220 3743 A C 1.991 179.581 177.584 0.009 0.000 1.170 3743 A CA 1.351 53.392 52.037 0.006 0.000 0.636 3743 A CB -0.868 18.134 19.000 0.004 0.000 0.810 3743 A HN 0.735 nan 8.150 nan 0.000 0.448 3744 Q N 0.058 119.863 119.800 0.009 0.000 2.437 3744 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 3744 Q C 0.573 176.581 176.000 0.013 0.000 0.972 3744 Q CA 1.064 56.873 55.803 0.011 0.000 0.903 3744 Q CB -0.215 28.529 28.738 0.009 0.000 0.967 3744 Q HN 0.671 nan 8.270 nan 0.000 0.486 3745 D N -0.408 120.000 120.400 0.014 0.000 2.354 3745 D HA 0.021 4.661 4.640 0.000 0.000 0.209 3745 D C 0.069 176.382 176.300 0.022 0.000 1.015 3745 D CA 0.013 54.023 54.000 0.017 0.000 0.867 3745 D CB 0.465 41.275 40.800 0.016 0.000 0.933 3745 D HN 0.104 nan 8.370 nan 0.000 0.520 3746 L N 0.924 122.160 121.223 0.022 0.000 2.397 3746 L HA 0.370 4.710 4.340 0.000 0.000 0.271 3746 L C 1.218 178.105 176.870 0.030 0.000 1.148 3746 L CA -0.104 54.753 54.840 0.028 0.000 0.825 3746 L CB 1.161 43.233 42.059 0.022 0.000 1.117 3746 L HN -0.176 nan 8.230 nan 0.000 0.456 3747 G N 1.069 109.892 108.800 0.038 0.000 2.491 3747 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 3747 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 3747 G C -1.329 173.594 174.900 0.038 0.000 1.189 3747 G CA -0.414 44.708 45.100 0.037 0.000 0.956 3747 G HN 0.570 nan 8.290 nan 0.000 0.491 3748 D N -0.685 119.734 120.400 0.033 0.000 2.350 3748 D HA 0.651 5.291 4.640 0.000 0.000 0.245 3748 D C -0.200 176.116 176.300 0.026 0.000 1.036 3748 D CA 0.141 54.157 54.000 0.027 0.000 0.848 3748 D CB 2.007 42.818 40.800 0.018 0.000 1.307 3748 D HN 0.610 nan 8.370 nan 0.000 0.469 3749 A N 0.647 123.485 122.820 0.030 0.000 2.488 3749 A HA 0.624 4.944 4.320 0.000 0.000 0.298 3749 A C 1.000 178.599 177.584 0.026 0.000 1.044 3749 A CA -0.498 51.557 52.037 0.031 0.000 0.693 3749 A CB 1.510 20.543 19.000 0.055 0.000 1.272 3749 A HN 0.585 nan 8.150 nan 0.000 0.402 3750 G N 0.621 109.430 108.800 0.015 0.000 2.408 3750 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 3750 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 3750 G C 0.392 175.304 174.900 0.020 0.000 1.150 3750 G CA 0.887 45.993 45.100 0.010 0.000 0.776 3750 G HN 0.612 nan 8.290 nan 0.000 0.542 3751 L N 0.263 121.506 121.223 0.033 0.000 2.436 3751 L HA 0.523 4.863 4.340 0.000 0.000 0.268 3751 L C -1.384 175.532 176.870 0.077 0.000 0.974 3751 L CA -0.807 54.059 54.840 0.043 0.000 0.826 3751 L CB 3.083 45.161 42.059 0.032 0.000 1.291 3751 L HN -0.222 nan 8.230 nan 0.000 0.406 3752 V N 2.465 122.427 119.914 0.080 0.000 2.409 3752 V HA 0.493 4.613 4.120 0.000 0.000 0.290 3752 V C -0.580 175.573 176.094 0.098 0.000 1.017 3752 V CA -0.442 61.929 62.300 0.118 0.000 0.841 3752 V CB 1.834 33.728 31.823 0.119 0.000 1.003 3752 V HN 0.783 nan 8.190 nan 0.000 0.426 3753 E N 3.037 123.320 120.200 0.138 0.000 2.343 3753 E HA 0.394 4.744 4.350 0.000 0.000 0.278 3753 E C -1.156 175.545 176.600 0.168 0.000 0.910 3753 E CA -0.658 55.806 56.400 0.108 0.000 0.757 3753 E CB 2.350 32.084 29.700 0.057 0.000 1.218 3753 E HN 0.747 nan 8.360 nan 0.000 0.435 3754 E N 4.136 124.404 120.200 0.113 0.000 2.152 3754 E HA 0.251 4.601 4.350 0.000 0.000 0.285 3754 E C -0.941 175.726 176.600 0.112 0.000 1.043 3754 E CA -0.255 56.222 56.400 0.127 0.000 0.839 3754 E CB 0.673 30.416 29.700 0.072 0.000 1.069 3754 E HN 0.322 nan 8.360 nan 0.000 0.399 3755 R N 3.669 124.276 120.500 0.178 0.000 2.686 3755 R HA 0.386 4.726 4.340 0.000 0.000 0.286 3755 R C -0.739 175.647 176.300 0.144 0.000 0.969 3755 R CA -0.911 55.252 56.100 0.105 0.000 0.898 3755 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 3755 R HN 0.319 nan 8.270 nan 0.000 0.456 3756 K N 2.417 122.863 120.400 0.076 0.000 2.211 3756 K HA 0.380 4.700 4.320 0.000 0.000 0.275 3756 K C -0.673 175.969 176.600 0.071 0.000 1.024 3756 K CA -0.468 55.863 56.287 0.073 0.000 0.887 3756 K CB 1.098 33.624 32.500 0.043 0.000 1.084 3756 K HN 0.295 nan 8.250 nan 0.000 0.463 3757 I N 2.044 122.668 120.570 0.090 0.000 2.390 3757 I HA 0.069 4.239 4.170 0.000 0.000 0.283 3757 I C -0.030 176.120 176.117 0.054 0.000 1.016 3757 I CA -0.062 61.285 61.300 0.078 0.000 1.151 3757 I CB 1.659 39.731 38.000 0.120 0.000 1.293 3757 I HN 0.594 nan 8.210 nan 0.000 0.458 3758 S N 4.342 120.065 115.700 0.039 0.000 3.698 3758 S HA -0.178 4.292 4.470 0.000 0.000 0.338 3758 S C 1.311 175.928 174.600 0.028 0.000 1.089 3758 S CA 0.975 59.193 58.200 0.030 0.000 0.991 3758 S CB -1.412 61.806 63.200 0.029 0.000 0.909 3758 S HN 1.454 nan 8.310 nan 0.000 0.485 3759 G N 0.643 109.460 108.800 0.029 0.000 2.579 3759 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 3759 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 3759 G C -0.351 174.568 174.900 0.032 0.000 1.201 3759 G CA 0.107 45.223 45.100 0.026 0.000 0.710 3759 G HN 0.614 nan 8.290 nan 0.000 0.516 3760 D N 2.484 122.905 120.400 0.034 0.000 2.401 3760 D HA 0.435 5.075 4.640 0.000 0.000 0.254 3760 D C 1.041 177.373 176.300 0.054 0.000 1.192 3760 D CA 0.990 55.012 54.000 0.036 0.000 0.885 3760 D CB 1.235 42.052 40.800 0.030 0.000 1.147 3760 D HN 0.687 nan 8.370 nan 0.000 0.478 3761 S N 2.599 118.330 115.700 0.052 0.000 2.565 3761 S HA 0.584 5.054 4.470 0.000 0.000 0.274 3761 S C 0.103 174.748 174.600 0.074 0.000 1.309 3761 S CA -0.666 57.577 58.200 0.072 0.000 1.043 3761 S CB 1.289 64.524 63.200 0.057 0.000 0.939 3761 S HN 0.396 nan 8.310 nan 0.000 0.504 3762 M N 2.064 121.734 119.600 0.117 0.000 2.593 3762 M HA 0.508 4.989 4.480 0.000 0.000 0.290 3762 M C -1.236 175.138 176.300 0.124 0.000 1.244 3762 M CA -0.594 54.745 55.300 0.064 0.000 0.857 3762 M CB 2.240 34.823 32.600 -0.027 0.000 1.738 3762 M HN 0.566 nan 8.290 nan 0.000 0.461 3763 I N 1.662 122.251 120.570 0.032 0.000 2.339 3763 I HA 0.373 4.543 4.170 0.000 0.000 0.290 3763 I C -1.363 174.751 176.117 -0.005 0.000 0.994 3763 I CA -0.369 61.010 61.300 0.133 0.000 1.191 3763 I CB 0.917 39.043 38.000 0.210 0.000 1.343 3763 I HN 0.425 nan 8.210 nan 0.000 0.458 3764 F N 5.911 125.907 119.950 0.075 0.000 2.405 3764 F HA 0.365 4.892 4.527 0.000 0.000 0.355 3764 F C 0.193 176.036 175.800 0.071 0.000 1.121 3764 F CA -0.735 57.297 58.000 0.053 0.000 1.112 3764 F CB 1.377 40.396 39.000 0.032 0.000 1.126 3764 F HN 0.031 nan 8.300 nan 0.000 0.481 3765 V N 4.353 124.370 119.914 0.170 0.000 2.275 3765 V HA 0.316 4.436 4.120 0.000 0.000 0.272 3765 V C -0.303 175.851 176.094 0.099 0.000 1.028 3765 V CA -0.578 61.800 62.300 0.131 0.000 0.810 3765 V CB 0.251 32.116 31.823 0.070 0.000 1.043 3765 V HN 0.806 nan 8.190 nan 0.000 0.453 3766 E N 2.996 123.262 120.200 0.110 0.000 2.378 3766 E HA 0.679 5.029 4.350 0.000 0.000 0.265 3766 E C -0.618 176.010 176.600 0.046 0.000 0.932 3766 E CA -0.889 55.561 56.400 0.082 0.000 0.795 3766 E CB 1.699 31.463 29.700 0.106 0.000 1.296 3766 E HN 0.207 nan 8.360 nan 0.000 0.438 3767 E N -0.840 119.374 120.200 0.025 0.000 2.596 3767 E HA -0.147 4.203 4.350 0.000 0.000 0.272 3767 E C -0.663 175.929 176.600 -0.014 0.000 1.039 3767 E CA 0.514 56.914 56.400 0.001 0.000 0.804 3767 E CB -2.239 27.462 29.700 0.002 0.000 1.373 3767 E HN 0.597 nan 8.360 nan 0.000 0.404 3768 C N 0.712 120.004 119.300 -0.012 0.000 2.689 3768 C HA 0.068 4.528 4.460 0.000 0.000 0.409 3768 C C 2.296 177.239 174.990 -0.079 0.000 1.293 3768 C CA -0.078 58.925 59.018 -0.024 0.000 2.136 3768 C CB 0.444 28.179 27.740 -0.007 0.000 2.719 3768 C HN 0.384 nan 8.230 nan 0.000 0.644 3769 K N 0.618 120.954 120.400 -0.107 0.000 1.969 3769 K HA -0.090 4.230 4.320 0.000 0.000 0.216 3769 K C 0.416 176.714 176.600 -0.503 0.000 1.048 3769 K CA 1.378 57.498 56.287 -0.279 0.000 0.948 3769 K CB -0.087 32.303 32.500 -0.183 0.000 0.726 3769 K HN 0.686 nan 8.250 nan 0.000 0.442 3770 H N 0.194 119.268 119.070 0.006 0.000 2.488 3770 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 3770 H C -2.535 172.794 175.328 0.001 0.000 1.395 3770 H CA -1.998 54.051 56.048 0.003 0.000 1.491 3770 H CB 0.750 30.514 29.762 0.002 0.000 1.567 3770 H HN 0.192 nan 8.280 nan 0.000 0.508 3771 P HA 0.133 nan 4.420 nan 0.000 0.275 3771 P C 0.267 177.591 177.300 0.040 0.000 1.227 3771 P CA -0.513 62.610 63.100 0.038 0.000 0.781 3771 P CB 1.808 33.516 31.700 0.014 0.000 0.906 3772 K N 0.666 121.080 120.400 0.024 0.000 2.374 3772 K HA 0.450 4.770 4.320 0.000 0.000 0.202 3772 K C 0.284 176.886 176.600 0.002 0.000 1.040 3772 K CA 0.039 56.335 56.287 0.015 0.000 1.085 3772 K CB 0.696 33.203 32.500 0.011 0.000 0.873 3772 K HN 0.534 nan 8.250 nan 0.000 0.539 3773 A N 0.522 123.339 122.820 -0.004 0.000 2.449 3773 A HA 0.686 5.006 4.320 0.000 0.000 0.302 3773 A C -0.901 176.674 177.584 -0.014 0.000 1.048 3773 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 3773 A CB 1.253 20.235 19.000 -0.030 0.000 1.274 3773 A HN -0.004 nan 8.150 nan 0.000 0.410 3774 V N -1.155 118.751 119.914 -0.014 0.000 3.074 3774 V HA 0.978 5.098 4.120 0.000 0.000 0.314 3774 V C -0.427 175.655 176.094 -0.020 0.000 1.117 3774 V CA -0.586 61.708 62.300 -0.010 0.000 1.014 3774 V CB 1.659 33.482 31.823 0.002 0.000 1.057 3774 V HN 0.880 nan 8.190 nan 0.000 0.438 3775 T N 3.299 117.843 114.554 -0.016 0.000 2.886 3775 T HA 0.632 4.982 4.350 0.000 0.000 0.292 3775 T C -0.558 174.140 174.700 -0.003 0.000 1.012 3775 T CA -0.352 61.731 62.100 -0.028 0.000 0.982 3775 T CB 1.493 70.320 68.868 -0.068 0.000 1.018 3775 T HN 0.748 nan 8.240 nan 0.000 0.451 3776 M N 3.403 123.000 119.600 -0.005 0.000 2.072 3776 M HA 0.382 4.862 4.480 0.000 0.000 0.331 3776 M C -0.954 175.352 176.300 0.011 0.000 1.004 3776 M CA -0.905 54.403 55.300 0.013 0.000 0.952 3776 M CB 1.323 33.929 32.600 0.010 0.000 1.511 3776 M HN 0.343 nan 8.290 nan 0.000 0.422 3777 L N 5.789 127.033 121.223 0.036 0.000 2.315 3777 L HA 0.465 4.805 4.340 0.000 0.000 0.283 3777 L C -0.796 176.100 176.870 0.042 0.000 1.089 3777 L CA 0.250 55.116 54.840 0.042 0.000 0.833 3777 L CB 0.249 42.371 42.059 0.105 0.000 1.170 3777 L HN 0.557 nan 8.230 nan 0.000 0.442 3778 I N 6.031 126.617 120.570 0.026 0.000 2.331 3778 I HA 0.391 4.561 4.170 0.000 0.000 0.292 3778 I C 0.335 176.469 176.117 0.027 0.000 0.998 3778 I CA -0.420 60.894 61.300 0.023 0.000 1.267 3778 I CB 0.732 38.740 38.000 0.013 0.000 1.386 3778 I HN 0.610 nan 8.210 nan 0.000 0.476 3779 R N 3.704 124.222 120.500 0.029 0.000 2.828 3779 R HA 0.896 5.236 4.340 0.000 0.000 0.264 3779 R C -0.348 175.966 176.300 0.024 0.000 1.022 3779 R CA -0.968 55.149 56.100 0.028 0.000 1.021 3779 R CB 2.205 32.524 30.300 0.031 0.000 1.163 3779 R HN 0.843 nan 8.270 nan 0.000 0.494 3780 G N -0.773 108.042 108.800 0.024 0.000 2.340 3780 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 3780 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 3780 G C 0.034 174.950 174.900 0.027 0.000 1.498 3780 G CA -0.677 44.438 45.100 0.025 0.000 0.847 3780 G HN 0.398 nan 8.290 nan 0.000 0.594 3781 T N 0.342 114.913 114.554 0.028 0.000 2.881 3781 T HA 0.158 4.508 4.350 0.000 0.000 0.270 3781 T C 0.918 175.639 174.700 0.035 0.000 1.068 3781 T CA 2.098 64.215 62.100 0.028 0.000 1.131 3781 T CB -0.179 68.704 68.868 0.025 0.000 0.871 3781 T HN 0.674 nan 8.240 nan 0.000 0.479 3782 T N 0.175 114.756 114.554 0.045 0.000 2.868 3782 T HA 0.230 4.580 4.350 0.000 0.000 0.306 3782 T C 0.359 175.099 174.700 0.067 0.000 1.224 3782 T CA -0.798 61.341 62.100 0.065 0.000 1.012 3782 T CB 2.435 71.352 68.868 0.082 0.000 1.221 3782 T HN -0.179 nan 8.240 nan 0.000 0.499 3783 E N 0.649 120.888 120.200 0.066 0.000 2.097 3783 E HA -0.180 4.170 4.350 0.000 0.000 0.196 3783 E C 1.566 178.140 176.600 -0.044 0.000 1.000 3783 E CA 1.822 58.221 56.400 -0.002 0.000 0.804 3783 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 3783 E HN 0.605 nan 8.360 nan 0.000 0.454 3784 H N -0.493 118.581 119.070 0.007 0.000 2.457 3784 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 3784 H C 2.120 177.452 175.328 0.007 0.000 1.064 3784 H CA 0.956 57.007 56.048 0.006 0.000 1.330 3784 H CB 0.113 29.878 29.762 0.005 0.000 1.395 3784 H HN -0.061 nan 8.280 nan 0.000 0.541 3785 V N 1.278 121.264 119.914 0.120 0.000 2.323 3785 V HA -0.194 3.926 4.120 0.000 0.000 0.244 3785 V C 2.320 178.439 176.094 0.042 0.000 1.041 3785 V CA 1.804 64.146 62.300 0.070 0.000 1.025 3785 V CB -0.471 31.385 31.823 0.055 0.000 0.656 3785 V HN 0.544 nan 8.190 nan 0.000 0.451 3786 I N -1.722 118.865 120.570 0.029 0.000 2.830 3786 I HA -0.100 4.070 4.170 0.000 0.000 0.263 3786 I C 2.109 178.227 176.117 0.000 0.000 1.230 3786 I CA 1.428 62.736 61.300 0.013 0.000 1.480 3786 I CB -0.579 37.426 38.000 0.008 0.000 1.095 3786 I HN 0.303 nan 8.210 nan 0.000 0.455 3787 E N 1.488 121.682 120.200 -0.009 0.000 2.072 3787 E HA -0.247 4.103 4.350 0.000 0.000 0.191 3787 E C 2.010 178.611 176.600 0.001 0.000 0.985 3787 E CA 1.476 57.864 56.400 -0.021 0.000 0.801 3787 E CB 0.007 29.675 29.700 -0.054 0.000 0.750 3787 E HN 0.559 nan 8.360 nan 0.000 0.452 3788 E N 0.604 120.816 120.200 0.019 0.000 2.106 3788 E HA -0.130 4.220 4.350 0.000 0.000 0.192 3788 E C 1.929 178.540 176.600 0.019 0.000 0.984 3788 E CA 0.805 57.219 56.400 0.023 0.000 0.806 3788 E CB 0.027 29.747 29.700 0.034 0.000 0.750 3788 E HN 0.003 nan 8.360 nan 0.000 0.458 3789 V N 0.949 120.874 119.914 0.019 0.000 2.343 3789 V HA -0.240 3.880 4.120 0.000 0.000 0.247 3789 V C 2.404 178.505 176.094 0.011 0.000 1.051 3789 V CA 1.743 64.053 62.300 0.017 0.000 1.036 3789 V CB -0.957 30.877 31.823 0.018 0.000 0.654 3789 V HN 0.474 nan 8.190 nan 0.000 0.451 3790 A N -0.124 122.700 122.820 0.006 0.000 1.940 3790 A HA -0.202 4.118 4.320 0.000 0.000 0.219 3790 A C 2.353 179.938 177.584 0.002 0.000 1.176 3790 A CA 1.502 53.539 52.037 0.000 0.000 0.631 3790 A CB -0.409 18.587 19.000 -0.007 0.000 0.814 3790 A HN 0.416 nan 8.150 nan 0.000 0.446 3791 R N -0.582 119.920 120.500 0.004 0.000 2.115 3791 R HA 0.048 4.388 4.340 0.000 0.000 0.226 3791 R C 2.387 178.693 176.300 0.009 0.000 1.100 3791 R CA 1.206 57.310 56.100 0.006 0.000 0.980 3791 R CB -0.938 29.366 30.300 0.007 0.000 0.875 3791 R HN 0.527 nan 8.270 nan 0.000 0.445 3792 A N 1.161 123.989 122.820 0.013 0.000 1.898 3792 A HA -0.115 4.205 4.320 0.000 0.000 0.216 3792 A C 2.269 179.862 177.584 0.015 0.000 1.181 3792 A CA 1.795 53.842 52.037 0.017 0.000 0.620 3792 A CB -0.520 18.492 19.000 0.021 0.000 0.819 3792 A HN 0.209 nan 8.150 nan 0.000 0.442 3793 V N -2.490 117.431 119.914 0.012 0.000 2.951 3793 V HA -0.050 4.070 4.120 0.000 0.000 0.255 3793 V C 1.834 177.932 176.094 0.007 0.000 1.088 3793 V CA 2.092 64.398 62.300 0.010 0.000 1.109 3793 V CB -0.543 31.285 31.823 0.009 0.000 0.724 3793 V HN 0.392 nan 8.190 nan 0.000 0.471 3794 D N 1.236 121.638 120.400 0.005 0.000 2.117 3794 D HA -0.164 4.476 4.640 0.000 0.000 0.198 3794 D C 1.764 178.067 176.300 0.005 0.000 0.982 3794 D CA 1.726 55.728 54.000 0.002 0.000 0.828 3794 D CB -0.133 40.668 40.800 0.001 0.000 0.967 3794 D HN 0.488 nan 8.370 nan 0.000 0.464 3795 D N -0.300 120.105 120.400 0.007 0.000 2.103 3795 D HA -0.018 4.622 4.640 0.000 0.000 0.199 3795 D C 1.954 178.261 176.300 0.010 0.000 0.978 3795 D CA 1.383 55.389 54.000 0.009 0.000 0.829 3795 D CB -0.471 40.336 40.800 0.011 0.000 0.981 3795 D HN 0.241 nan 8.370 nan 0.000 0.464 3796 A N 0.648 123.475 122.820 0.012 0.000 1.877 3796 A HA -0.128 4.192 4.320 0.000 0.000 0.216 3796 A C 2.380 179.970 177.584 0.010 0.000 1.186 3796 A CA 1.284 53.329 52.037 0.013 0.000 0.620 3796 A CB -0.904 18.105 19.000 0.015 0.000 0.822 3796 A HN 0.181 nan 8.150 nan 0.000 0.443 3797 V N -0.022 119.897 119.914 0.008 0.000 2.759 3797 V HA -0.082 4.038 4.120 0.000 0.000 0.256 3797 V C 2.299 178.396 176.094 0.006 0.000 1.080 3797 V CA 2.092 64.396 62.300 0.006 0.000 1.101 3797 V CB -0.678 31.148 31.823 0.004 0.000 0.698 3797 V HN 0.570 nan 8.190 nan 0.000 0.477 3798 G N -0.125 108.678 108.800 0.006 0.000 2.404 3798 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 3798 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 3798 G C 1.618 176.523 174.900 0.007 0.000 1.189 3798 G CA 1.328 46.431 45.100 0.006 0.000 0.789 3798 G HN 0.661 nan 8.290 nan 0.000 0.533 3799 V N -1.062 118.857 119.914 0.009 0.000 2.809 3799 V HA -0.007 4.113 4.120 0.000 0.000 0.256 3799 V C 2.630 178.730 176.094 0.010 0.000 1.080 3799 V CA 1.121 63.427 62.300 0.010 0.000 1.102 3799 V CB -0.426 31.404 31.823 0.012 0.000 0.705 3799 V HN 0.118 nan 8.190 nan 0.000 0.475 3800 V N 2.102 122.022 119.914 0.009 0.000 2.407 3800 V HA -0.081 4.039 4.120 0.000 0.000 0.248 3800 V C 2.850 178.948 176.094 0.007 0.000 1.055 3800 V CA 2.317 64.622 62.300 0.008 0.000 1.049 3800 V CB -1.324 30.504 31.823 0.008 0.000 0.662 3800 V HN 0.629 nan 8.190 nan 0.000 0.455 3801 G N -1.458 107.346 108.800 0.007 0.000 2.403 3801 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 3801 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 3801 G C 1.717 176.621 174.900 0.006 0.000 1.154 3801 G CA 1.144 46.247 45.100 0.005 0.000 0.784 3801 G HN 0.529 nan 8.290 nan 0.000 0.538 3802 C N 0.569 119.873 119.300 0.007 0.000 2.425 3802 C HA -0.015 4.445 4.460 0.000 0.000 0.277 3802 C C 3.192 178.187 174.990 0.007 0.000 1.280 3802 C CA 1.536 60.558 59.018 0.007 0.000 1.744 3802 C CB -0.918 26.827 27.740 0.008 0.000 1.989 3802 C HN 0.412 nan 8.230 nan 0.000 0.491 3803 T N 0.964 115.522 114.554 0.008 0.000 2.951 3803 T HA 0.024 4.374 4.350 0.000 0.000 0.268 3803 T C 1.553 176.257 174.700 0.006 0.000 1.073 3803 T CA 0.958 63.062 62.100 0.008 0.000 1.134 3803 T CB -0.196 68.677 68.868 0.008 0.000 0.884 3803 T HN 0.497 nan 8.240 nan 0.000 0.479 3804 I N 0.746 121.320 120.570 0.006 0.000 2.439 3804 I HA -0.079 4.091 4.170 0.000 0.000 0.251 3804 I C 2.467 178.586 176.117 0.004 0.000 1.139 3804 I CA 1.191 62.494 61.300 0.005 0.000 1.438 3804 I CB -0.201 37.801 38.000 0.005 0.000 1.085 3804 I HN 0.298 nan 8.210 nan 0.000 0.427 3805 E N 0.125 120.327 120.200 0.005 0.000 2.086 3805 E HA -0.047 4.303 4.350 0.000 0.000 0.190 3805 E C 0.005 176.607 176.600 0.004 0.000 0.975 3805 E CA 0.661 57.063 56.400 0.004 0.000 0.813 3805 E CB 0.280 29.983 29.700 0.004 0.000 0.768 3805 E HN 0.328 nan 8.360 nan 0.000 0.457 3806 D N -0.131 120.272 120.400 0.005 0.000 2.453 3806 D HA 0.147 4.787 4.640 0.000 0.000 0.238 3806 D C 0.021 176.324 176.300 0.006 0.000 1.088 3806 D CA -0.121 53.882 54.000 0.006 0.000 0.854 3806 D CB 1.602 42.406 40.800 0.007 0.000 1.076 3806 D HN 0.107 nan 8.370 nan 0.000 0.533 3807 G N 2.168 110.971 108.800 0.005 0.000 3.279 3807 G HA2 -0.029 3.931 3.960 0.000 0.000 0.230 3807 G HA3 -0.029 3.931 3.960 0.000 0.000 0.230 3807 G C 0.710 175.614 174.900 0.006 0.000 1.230 3807 G CA -0.040 45.063 45.100 0.005 0.000 0.891 3807 G HN 0.074 nan 8.290 nan 0.000 0.518 3808 R N -0.297 120.207 120.500 0.007 0.000 2.589 3808 R HA 0.741 5.081 4.340 0.000 0.000 0.293 3808 R C -0.856 175.450 176.300 0.010 0.000 0.963 3808 R CA -0.647 55.458 56.100 0.008 0.000 0.905 3808 R CB 1.875 32.179 30.300 0.007 0.000 1.144 3808 R HN 0.172 nan 8.270 nan 0.000 0.459 3809 I N 2.416 122.993 120.570 0.011 0.000 2.828 3809 I HA 0.642 4.812 4.170 0.000 0.000 0.302 3809 I C -1.097 175.029 176.117 0.016 0.000 1.101 3809 I CA -1.114 60.194 61.300 0.013 0.000 1.031 3809 I CB 2.015 40.022 38.000 0.013 0.000 1.231 3809 I HN 0.472 nan 8.210 nan 0.000 0.427 3810 V N 2.386 122.311 119.914 0.018 0.000 2.914 3810 V HA 0.669 4.789 4.120 0.000 0.000 0.314 3810 V C -0.105 176.004 176.094 0.025 0.000 1.084 3810 V CA -0.615 61.699 62.300 0.022 0.000 0.963 3810 V CB 1.382 33.219 31.823 0.023 0.000 1.025 3810 V HN 0.811 nan 8.190 nan 0.000 0.432 3811 S N 2.207 117.925 115.700 0.031 0.000 2.562 3811 S HA 0.634 5.104 4.470 0.000 0.000 0.281 3811 S C 0.525 175.144 174.600 0.033 0.000 1.333 3811 S CA 0.185 58.406 58.200 0.035 0.000 1.052 3811 S CB 0.781 64.007 63.200 0.043 0.000 0.884 3811 S HN 1.775 nan 8.310 nan 0.000 0.506 3812 G N 0.423 109.244 108.800 0.035 0.000 2.782 3812 G HA2 0.567 4.527 3.960 0.000 0.000 0.201 3812 G HA3 0.567 4.527 3.960 0.000 0.000 0.201 3812 G C 0.859 175.778 174.900 0.031 0.000 1.374 3812 G CA -0.559 44.560 45.100 0.031 0.000 1.039 3812 G HN 2.024 nan 8.290 nan 0.000 0.576 3813 G N -1.844 106.972 108.800 0.028 0.000 2.225 3813 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 3813 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 3813 G C 1.456 176.357 174.900 0.003 0.000 1.024 3813 G CA 1.217 46.329 45.100 0.019 0.000 0.784 3813 G HN 2.471 nan 8.290 nan 0.000 0.507 3814 G N -1.452 107.345 108.800 -0.005 0.000 2.162 3814 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 3814 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 3814 G C 1.485 176.372 174.900 -0.023 0.000 0.976 3814 G CA 1.680 46.768 45.100 -0.020 0.000 0.655 3814 G HN 1.972 nan 8.290 nan 0.000 0.533 3815 S N 0.048 115.748 115.700 -0.001 0.000 2.368 3815 S HA -0.164 4.306 4.470 0.000 0.000 0.225 3815 S C 2.807 177.394 174.600 -0.022 0.000 1.030 3815 S CA 2.755 60.961 58.200 0.010 0.000 0.999 3815 S CB -0.581 62.650 63.200 0.052 0.000 0.844 3815 S HN 1.376 nan 8.310 nan 0.000 0.459 3816 T N 0.125 114.673 114.554 -0.010 0.000 2.595 3816 T HA -0.102 4.248 4.350 0.000 0.000 0.264 3816 T C 1.573 176.240 174.700 -0.054 0.000 1.058 3816 T CA 1.638 63.728 62.100 -0.016 0.000 1.166 3816 T CB -1.081 67.787 68.868 0.001 0.000 0.863 3816 T HN 0.426 nan 8.240 nan 0.000 0.415 3817 E N 1.028 121.198 120.200 -0.050 0.000 2.147 3817 E HA -0.094 4.256 4.350 0.000 0.000 0.199 3817 E C 2.285 178.825 176.600 -0.100 0.000 1.005 3817 E CA 1.087 57.448 56.400 -0.065 0.000 0.810 3817 E CB -0.864 28.799 29.700 -0.063 0.000 0.736 3817 E HN 0.421 nan 8.360 nan 0.000 0.460 3818 V N 1.003 120.833 119.914 -0.140 0.000 2.295 3818 V HA -0.232 3.888 4.120 0.000 0.000 0.246 3818 V C 2.386 178.251 176.094 -0.382 0.000 1.049 3818 V CA 1.874 64.040 62.300 -0.224 0.000 1.024 3818 V CB -0.447 31.237 31.823 -0.232 0.000 0.648 3818 V HN 0.301 nan 8.190 nan 0.000 0.447 3819 E N 0.323 120.239 120.200 -0.474 0.000 2.118 3819 E HA -0.207 4.143 4.350 0.000 0.000 0.195 3819 E C 2.155 178.676 176.600 -0.131 0.000 0.992 3819 E CA 1.489 57.638 56.400 -0.419 0.000 0.804 3819 E CB -0.144 29.504 29.700 -0.087 0.000 0.741 3819 E HN 0.586 nan 8.360 nan 0.000 0.458 3820 L N 0.149 121.323 121.223 -0.081 0.000 2.027 3820 L HA -0.137 4.203 4.340 0.000 0.000 0.206 3820 L C 2.859 179.738 176.870 0.015 0.000 1.074 3820 L CA 1.297 56.136 54.840 -0.002 0.000 0.745 3820 L CB -0.578 41.499 42.059 0.029 0.000 0.898 3820 L HN 0.105 nan 8.230 nan 0.000 0.433 3821 S N -0.454 115.230 115.700 -0.027 0.000 2.368 3821 S HA -0.174 4.296 4.470 0.000 0.000 0.225 3821 S C 2.136 176.736 174.600 -0.001 0.000 1.030 3821 S CA 1.105 59.298 58.200 -0.011 0.000 0.999 3821 S CB -0.005 63.169 63.200 -0.044 0.000 0.844 3821 S HN 0.195 nan 8.310 nan 0.000 0.459 3822 M N 0.957 120.538 119.600 -0.032 0.000 2.086 3822 M HA -0.019 4.461 4.480 0.000 0.000 0.261 3822 M C 2.243 178.566 176.300 0.039 0.000 1.067 3822 M CA 1.647 56.950 55.300 0.005 0.000 1.116 3822 M CB -1.254 31.353 32.600 0.011 0.000 1.348 3822 M HN 0.266 nan 8.290 nan 0.000 0.407 3823 K N 0.669 121.092 120.400 0.038 0.000 2.062 3823 K HA 0.013 4.333 4.320 0.000 0.000 0.205 3823 K C 1.892 178.538 176.600 0.076 0.000 1.051 3823 K CA 0.994 57.308 56.287 0.045 0.000 0.941 3823 K CB -0.321 32.190 32.500 0.017 0.000 0.719 3823 K HN 0.263 nan 8.250 nan 0.000 0.440 3824 L N 0.246 121.525 121.223 0.092 0.000 2.275 3824 L HA -0.057 4.283 4.340 0.000 0.000 0.215 3824 L C 2.354 179.308 176.870 0.140 0.000 1.119 3824 L CA 0.870 55.809 54.840 0.165 0.000 0.790 3824 L CB -0.263 41.901 42.059 0.175 0.000 0.919 3824 L HN 0.153 nan 8.230 nan 0.000 0.443 3825 R N 0.016 120.568 120.500 0.088 0.000 2.081 3825 R HA -0.199 4.141 4.340 0.000 0.000 0.235 3825 R C 2.184 178.523 176.300 0.064 0.000 1.131 3825 R CA 1.508 57.643 56.100 0.058 0.000 0.960 3825 R CB -0.174 30.149 30.300 0.038 0.000 0.856 3825 R HN 0.376 nan 8.270 nan 0.000 0.436 3826 E N -0.250 119.999 120.200 0.082 0.000 2.152 3826 E HA -0.202 4.148 4.350 0.000 0.000 0.192 3826 E C 1.587 178.269 176.600 0.136 0.000 0.983 3826 E CA 0.695 57.146 56.400 0.085 0.000 0.818 3826 E CB -0.013 29.731 29.700 0.074 0.000 0.758 3826 E HN 0.253 nan 8.360 nan 0.000 0.467 3827 Y N 0.931 121.227 120.300 -0.007 0.000 2.181 3827 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 3827 Y C 2.051 177.938 175.900 -0.022 0.000 1.146 3827 Y CA 1.267 59.356 58.100 -0.018 0.000 1.164 3827 Y CB -0.825 37.617 38.460 -0.030 0.000 0.982 3827 Y HN 0.130 nan 8.280 nan 0.000 0.515 3828 A N 0.155 122.957 122.820 -0.030 0.000 1.908 3828 A HA -0.180 4.140 4.320 0.000 0.000 0.218 3828 A C 2.145 179.682 177.584 -0.079 0.000 1.181 3828 A CA 1.893 53.864 52.037 -0.110 0.000 0.627 3828 A CB -0.524 18.450 19.000 -0.045 0.000 0.818 3828 A HN 0.478 nan 8.150 nan 0.000 0.445 3829 E N -0.569 119.618 120.200 -0.021 0.000 2.106 3829 E HA -0.104 4.246 4.350 0.000 0.000 0.192 3829 E C 2.175 178.767 176.600 -0.013 0.000 0.984 3829 E CA 1.103 57.497 56.400 -0.009 0.000 0.806 3829 E CB -0.638 29.070 29.700 0.013 0.000 0.750 3829 E HN 0.591 nan 8.360 nan 0.000 0.458 3830 G N 1.104 109.906 108.800 0.002 0.000 2.403 3830 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 3830 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 3830 G C 1.748 176.625 174.900 -0.039 0.000 1.154 3830 G CA 0.287 45.396 45.100 0.015 0.000 0.784 3830 G HN 0.151 nan 8.290 nan 0.000 0.538 3831 I N -0.173 120.318 120.570 -0.132 0.000 2.202 3831 I HA -0.013 4.157 4.170 0.000 0.000 0.242 3831 I C 1.740 177.795 176.117 -0.102 0.000 1.091 3831 I CA 0.764 61.958 61.300 -0.176 0.000 1.368 3831 I CB -0.281 37.519 38.000 -0.334 0.000 1.058 3831 I HN 0.313 nan 8.210 nan 0.000 0.410 3832 S N -1.119 114.529 115.700 -0.087 0.000 3.443 3832 S HA -0.141 4.329 4.470 0.000 0.000 0.635 3832 S C 0.560 175.130 174.600 -0.049 0.000 2.555 3832 S CA 0.867 59.036 58.200 -0.052 0.000 2.778 3832 S CB -1.385 61.794 63.200 -0.034 0.000 0.331 3832 S HN 1.357 nan 8.310 nan 0.000 1.765 3833 G N 0.783 109.564 108.800 -0.030 0.000 2.547 3833 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 3833 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 3833 G C 0.366 175.256 174.900 -0.016 0.000 1.209 3833 G CA 1.068 46.155 45.100 -0.022 0.000 0.959 3833 G HN 1.148 nan 8.290 nan 0.000 0.563 3834 R N 0.571 121.065 120.500 -0.010 0.000 2.127 3834 R HA 0.135 4.475 4.340 0.000 0.000 0.217 3834 R C 2.483 178.785 176.300 0.003 0.000 1.074 3834 R CA 1.510 57.612 56.100 0.005 0.000 0.991 3834 R CB -0.188 30.122 30.300 0.018 0.000 0.895 3834 R HN 0.603 nan 8.270 nan 0.000 0.450 3835 E N 1.265 121.455 120.200 -0.018 0.000 2.204 3835 E HA -0.236 4.114 4.350 0.000 0.000 0.195 3835 E C 1.985 178.550 176.600 -0.057 0.000 0.990 3835 E CA 1.414 57.794 56.400 -0.034 0.000 0.821 3835 E CB -0.092 29.564 29.700 -0.072 0.000 0.750 3835 E HN 0.469 nan 8.360 nan 0.000 0.477 3836 Q N 0.201 119.964 119.800 -0.062 0.000 2.170 3836 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 3836 Q C 1.716 177.696 176.000 -0.033 0.000 0.976 3836 Q CA 1.043 56.804 55.803 -0.069 0.000 0.858 3836 Q CB -0.209 28.496 28.738 -0.054 0.000 0.907 3836 Q HN 0.205 nan 8.270 nan 0.000 0.433 3837 L N 1.075 122.296 121.223 -0.004 0.000 2.093 3837 L HA -0.015 4.325 4.340 0.000 0.000 0.208 3837 L C 2.534 179.433 176.870 0.048 0.000 1.085 3837 L CA 1.869 56.722 54.840 0.022 0.000 0.755 3837 L CB -0.982 41.098 42.059 0.034 0.000 0.904 3837 L HN 0.393 nan 8.230 nan 0.000 0.435 3838 A N -1.323 121.538 122.820 0.069 0.000 1.929 3838 A HA -0.093 4.227 4.320 0.000 0.000 0.216 3838 A C 2.321 179.857 177.584 -0.080 0.000 1.176 3838 A CA 1.548 53.677 52.037 0.153 0.000 0.628 3838 A CB -0.739 18.409 19.000 0.246 0.000 0.816 3838 A HN 0.192 nan 8.150 nan 0.000 0.444 3839 V N -0.001 119.854 119.914 -0.098 0.000 2.427 3839 V HA -0.190 3.930 4.120 0.000 0.000 0.248 3839 V C 2.634 178.699 176.094 -0.050 0.000 1.051 3839 V CA 2.195 64.411 62.300 -0.139 0.000 1.048 3839 V CB -0.781 30.941 31.823 -0.168 0.000 0.666 3839 V HN 0.599 nan 8.190 nan 0.000 0.456 3840 R N 1.205 121.687 120.500 -0.030 0.000 2.081 3840 R HA -0.061 4.279 4.340 0.000 0.000 0.235 3840 R C 2.154 178.452 176.300 -0.003 0.000 1.131 3840 R CA 1.850 57.949 56.100 -0.003 0.000 0.960 3840 R CB -0.919 29.382 30.300 0.002 0.000 0.856 3840 R HN 0.435 nan 8.270 nan 0.000 0.436 3841 A N -0.504 122.313 122.820 -0.005 0.000 1.930 3841 A HA -0.120 4.200 4.320 0.000 0.000 0.217 3841 A C 2.161 179.700 177.584 -0.074 0.000 1.175 3841 A CA 1.335 53.380 52.037 0.015 0.000 0.627 3841 A CB -0.820 18.269 19.000 0.149 0.000 0.815 3841 A HN 0.481 nan 8.150 nan 0.000 0.443 3842 F N 0.879 120.568 119.950 -0.435 0.000 2.075 3842 F HA -0.063 4.464 4.527 0.000 0.000 0.297 3842 F C 2.553 178.236 175.800 -0.194 0.000 1.113 3842 F CA 1.535 59.246 58.000 -0.481 0.000 1.218 3842 F CB -0.347 38.264 39.000 -0.649 0.000 0.984 3842 F HN 0.244 nan 8.300 nan 0.000 0.472 3843 A N -0.157 122.724 122.820 0.102 0.000 1.933 3843 A HA -0.188 4.132 4.320 0.000 0.000 0.218 3843 A C 1.892 179.449 177.584 -0.045 0.000 1.175 3843 A CA 2.006 54.081 52.037 0.064 0.000 0.628 3843 A CB -0.962 18.094 19.000 0.093 0.000 0.814 3843 A HN 0.463 nan 8.150 nan 0.000 0.444 3844 D N -0.049 120.324 120.400 -0.046 0.000 2.149 3844 D HA 0.021 4.661 4.640 0.000 0.000 0.201 3844 D C 2.187 178.440 176.300 -0.078 0.000 0.972 3844 D CA 1.349 55.320 54.000 -0.048 0.000 0.835 3844 D CB -0.368 40.417 40.800 -0.024 0.000 0.966 3844 D HN 0.415 nan 8.370 nan 0.000 0.476 3845 A N 0.475 123.225 122.820 -0.117 0.000 1.969 3845 A HA -0.116 4.204 4.320 0.000 0.000 0.218 3845 A C 2.019 179.497 177.584 -0.177 0.000 1.169 3845 A CA 0.762 52.717 52.037 -0.137 0.000 0.635 3845 A CB -0.528 18.379 19.000 -0.154 0.000 0.810 3845 A HN 0.139 nan 8.150 nan 0.000 0.445 3846 L N 0.273 121.351 121.223 -0.242 0.000 2.191 3846 L HA -0.139 4.201 4.340 0.000 0.000 0.212 3846 L C 1.997 178.793 176.870 -0.124 0.000 1.103 3846 L CA 1.658 56.371 54.840 -0.212 0.000 0.769 3846 L CB -0.754 41.176 42.059 -0.215 0.000 0.908 3846 L HN 0.479 nan 8.230 nan 0.000 0.438 3847 E N -1.383 118.758 120.200 -0.099 0.000 2.515 3847 E HA -0.130 4.220 4.350 0.000 0.000 0.201 3847 E C 2.188 178.750 176.600 -0.064 0.000 1.071 3847 E CA 0.259 56.616 56.400 -0.072 0.000 0.880 3847 E CB -0.063 29.602 29.700 -0.058 0.000 0.828 3847 E HN 0.294 nan 8.360 nan 0.000 0.540 3848 V N 1.042 120.913 119.914 -0.071 0.000 2.594 3848 V HA -0.238 3.882 4.120 0.000 0.000 0.253 3848 V C 1.716 177.779 176.094 -0.053 0.000 1.069 3848 V CA 1.237 63.501 62.300 -0.059 0.000 1.082 3848 V CB -0.172 31.614 31.823 -0.062 0.000 0.680 3848 V HN 0.275 nan 8.190 nan 0.000 0.469 3849 I N 0.355 120.892 120.570 -0.057 0.000 2.162 3849 I HA -0.017 4.153 4.170 0.000 0.000 0.238 3849 I C 0.244 176.334 176.117 -0.045 0.000 1.076 3849 I CA 1.413 62.684 61.300 -0.049 0.000 1.353 3849 I CB -2.837 35.134 38.000 -0.048 0.000 1.063 3849 I HN 0.304 nan 8.210 nan 0.000 0.408 3850 P HA -0.194 nan 4.420 nan 0.000 0.216 3850 P C 1.842 179.119 177.300 -0.038 0.000 1.157 3850 P CA 1.543 64.619 63.100 -0.040 0.000 0.880 3850 P CB -0.218 31.457 31.700 -0.042 0.000 0.791 3851 R N -0.011 120.465 120.500 -0.039 0.000 2.096 3851 R HA -0.140 4.200 4.340 0.000 0.000 0.240 3851 R C 1.922 178.200 176.300 -0.036 0.000 1.139 3851 R CA 2.769 58.847 56.100 -0.036 0.000 0.952 3851 R CB -1.486 28.792 30.300 -0.036 0.000 0.854 3851 R HN 0.283 nan 8.270 nan 0.000 0.436 3852 T N -1.578 112.952 114.554 -0.039 0.000 3.067 3852 T HA 0.020 4.370 4.350 0.000 0.000 0.257 3852 T C 2.006 176.678 174.700 -0.046 0.000 1.105 3852 T CA 0.098 62.174 62.100 -0.040 0.000 1.104 3852 T CB -0.042 68.803 68.868 -0.039 0.000 0.925 3852 T HN 0.025 nan 8.240 nan 0.000 0.498 3853 L N 1.678 122.872 121.223 -0.049 0.000 2.083 3853 L HA 0.228 4.568 4.340 0.000 0.000 0.209 3853 L C 2.927 179.758 176.870 -0.066 0.000 1.083 3853 L CA 1.630 56.434 54.840 -0.061 0.000 0.752 3853 L CB -1.202 40.824 42.059 -0.055 0.000 0.899 3853 L HN 0.455 nan 8.230 nan 0.000 0.433 3854 A N -1.536 121.254 122.820 -0.050 0.000 1.935 3854 A HA -0.117 4.203 4.320 0.000 0.000 0.214 3854 A C 2.231 179.789 177.584 -0.043 0.000 1.178 3854 A CA 1.010 53.019 52.037 -0.046 0.000 0.640 3854 A CB -0.367 18.613 19.000 -0.033 0.000 0.825 3854 A HN 0.342 nan 8.150 nan 0.000 0.447 3855 E N 1.612 121.789 120.200 -0.038 0.000 2.033 3855 E HA -0.258 4.092 4.350 0.000 0.000 0.199 3855 E C 1.683 178.261 176.600 -0.036 0.000 1.011 3855 E CA 2.052 58.432 56.400 -0.034 0.000 0.815 3855 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 3855 E HN 0.768 nan 8.360 nan 0.000 0.451 3856 N N -0.125 118.550 118.700 -0.042 0.000 2.467 3856 N HA 0.014 4.754 4.740 0.000 0.000 0.184 3856 N C 1.077 176.555 175.510 -0.054 0.000 1.106 3856 N CA 1.056 54.079 53.050 -0.044 0.000 0.892 3856 N CB -0.196 38.265 38.487 -0.044 0.000 0.969 3856 N HN 0.189 nan 8.380 nan 0.000 0.454 3857 A N -0.225 122.557 122.820 -0.065 0.000 2.208 3857 A HA 0.480 4.800 4.320 0.000 0.000 0.209 3857 A C 1.625 179.177 177.584 -0.054 0.000 1.161 3857 A CA 0.467 52.457 52.037 -0.078 0.000 0.782 3857 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 3857 A HN 0.615 nan 8.150 nan 0.000 0.477 3858 G N -1.626 107.150 108.800 -0.040 0.000 2.132 3858 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 3858 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 3858 G C -0.169 174.717 174.900 -0.023 0.000 0.989 3858 G CA 0.197 45.281 45.100 -0.028 0.000 0.676 3858 G HN 0.279 nan 8.290 nan 0.000 0.522 3859 L N 0.790 121.996 121.223 -0.027 0.000 2.344 3859 L HA 0.517 4.857 4.340 0.000 0.000 0.272 3859 L C 0.284 177.142 176.870 -0.019 0.000 1.035 3859 L CA -0.847 53.980 54.840 -0.021 0.000 0.807 3859 L CB 1.369 43.413 42.059 -0.023 0.000 1.237 3859 L HN 0.211 nan 8.230 nan 0.000 0.442 3860 D N 1.426 121.818 120.400 -0.014 0.000 2.346 3860 D HA 0.113 4.753 4.640 0.000 0.000 0.260 3860 D C 0.828 177.119 176.300 -0.015 0.000 1.252 3860 D CA 0.112 54.104 54.000 -0.013 0.000 0.895 3860 D CB 1.603 42.397 40.800 -0.009 0.000 1.097 3860 D HN 0.642 nan 8.370 nan 0.000 0.489 3861 A N 5.458 128.267 122.820 -0.017 0.000 1.908 3861 A HA -0.192 4.128 4.320 0.000 0.000 0.218 3861 A C 2.139 179.714 177.584 -0.016 0.000 1.181 3861 A CA 0.879 52.904 52.037 -0.019 0.000 0.627 3861 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 3861 A HN 0.710 nan 8.150 nan 0.000 0.445 3862 I N -0.256 120.306 120.570 -0.013 0.000 2.163 3862 I HA -0.200 3.970 4.170 0.000 0.000 0.240 3862 I C 2.476 178.588 176.117 -0.007 0.000 1.081 3862 I CA 1.858 63.152 61.300 -0.010 0.000 1.353 3862 I CB -1.517 36.478 38.000 -0.009 0.000 1.054 3862 I HN 0.572 nan 8.210 nan 0.000 0.407 3863 E N 0.936 121.132 120.200 -0.006 0.000 2.077 3863 E HA -0.207 4.143 4.350 0.000 0.000 0.193 3863 E C 2.313 178.911 176.600 -0.002 0.000 0.989 3863 E CA 1.122 57.520 56.400 -0.003 0.000 0.800 3863 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 3863 E HN 0.238 nan 8.360 nan 0.000 0.452 3864 I N 0.859 121.426 120.570 -0.005 0.000 2.202 3864 I HA -0.234 3.936 4.170 0.000 0.000 0.242 3864 I C 2.397 178.513 176.117 -0.003 0.000 1.091 3864 I CA 0.807 62.105 61.300 -0.003 0.000 1.368 3864 I CB -0.964 37.031 38.000 -0.008 0.000 1.058 3864 I HN 0.244 nan 8.210 nan 0.000 0.410 3865 L N 0.136 121.354 121.223 -0.008 0.000 2.083 3865 L HA -0.146 4.194 4.340 0.000 0.000 0.209 3865 L C 2.574 179.442 176.870 -0.003 0.000 1.083 3865 L CA 1.266 56.100 54.840 -0.010 0.000 0.752 3865 L CB -1.002 41.048 42.059 -0.016 0.000 0.899 3865 L HN -0.001 nan 8.230 nan 0.000 0.433 3866 V N -0.822 119.092 119.914 -0.000 0.000 2.358 3866 V HA -0.272 3.848 4.120 0.000 0.000 0.246 3866 V C 2.423 178.523 176.094 0.011 0.000 1.047 3866 V CA 1.566 63.868 62.300 0.004 0.000 1.035 3866 V CB -0.492 31.333 31.823 0.003 0.000 0.658 3866 V HN 0.427 nan 8.190 nan 0.000 0.452 3867 K N -0.409 119.997 120.400 0.010 0.000 2.097 3867 K HA -0.075 4.245 4.320 0.000 0.000 0.205 3867 K C 2.018 178.632 176.600 0.023 0.000 1.050 3867 K CA 1.115 57.411 56.287 0.015 0.000 0.938 3867 K CB -0.204 32.303 32.500 0.012 0.000 0.718 3867 K HN 0.324 nan 8.250 nan 0.000 0.442 3868 V N 1.152 121.079 119.914 0.022 0.000 2.346 3868 V HA -0.163 3.957 4.120 0.000 0.000 0.244 3868 V C 2.134 178.259 176.094 0.051 0.000 1.037 3868 V CA 1.452 63.771 62.300 0.033 0.000 1.029 3868 V CB -0.387 31.446 31.823 0.017 0.000 0.663 3868 V HN 0.230 nan 8.190 nan 0.000 0.454 3869 R N 0.378 120.896 120.500 0.030 0.000 2.096 3869 R HA -0.104 4.236 4.340 0.000 0.000 0.235 3869 R C 2.410 178.753 176.300 0.071 0.000 1.127 3869 R CA 1.475 57.596 56.100 0.035 0.000 0.968 3869 R CB -0.586 29.717 30.300 0.006 0.000 0.861 3869 R HN 0.530 nan 8.270 nan 0.000 0.440 3870 A N 1.259 124.110 122.820 0.050 0.000 1.898 3870 A HA -0.070 4.250 4.320 0.000 0.000 0.216 3870 A C 2.376 179.993 177.584 0.054 0.000 1.181 3870 A CA 1.539 53.604 52.037 0.047 0.000 0.620 3870 A CB -0.609 18.409 19.000 0.029 0.000 0.819 3870 A HN 0.382 nan 8.150 nan 0.000 0.442 3871 A N -1.182 121.672 122.820 0.057 0.000 1.933 3871 A HA -0.224 4.096 4.320 0.000 0.000 0.218 3871 A C 2.138 179.759 177.584 0.062 0.000 1.175 3871 A CA 1.779 53.845 52.037 0.050 0.000 0.628 3871 A CB -0.914 18.114 19.000 0.047 0.000 0.814 3871 A HN 0.766 nan 8.150 nan 0.000 0.444 3872 H N 0.011 119.084 119.070 0.004 0.000 2.299 3872 H HA -0.047 4.509 4.556 0.000 0.000 0.302 3872 H C 2.330 177.661 175.328 0.004 0.000 1.078 3872 H CA 1.771 57.822 56.048 0.004 0.000 1.323 3872 H CB -0.283 29.482 29.762 0.005 0.000 1.381 3872 H HN 0.390 nan 8.280 nan 0.000 0.498 3873 A N 0.013 122.900 122.820 0.112 0.000 1.940 3873 A HA -0.178 4.142 4.320 0.000 0.000 0.219 3873 A C 2.776 180.346 177.584 -0.023 0.000 1.176 3873 A CA 2.098 54.166 52.037 0.052 0.000 0.631 3873 A CB -0.826 18.224 19.000 0.083 0.000 0.814 3873 A HN 0.518 nan 8.150 nan 0.000 0.446 3874 S N -0.652 115.037 115.700 -0.017 0.000 2.341 3874 S HA -0.068 4.402 4.470 0.000 0.000 0.216 3874 S C 1.861 176.432 174.600 -0.047 0.000 1.034 3874 S CA 0.966 59.152 58.200 -0.023 0.000 0.964 3874 S CB -0.386 62.810 63.200 -0.006 0.000 0.882 3874 S HN 0.640 nan 8.310 nan 0.000 0.469 3875 N N 0.984 119.651 118.700 -0.054 0.000 2.416 3875 N HA 0.213 4.953 4.740 0.000 0.000 0.177 3875 N C 1.043 176.494 175.510 -0.098 0.000 1.036 3875 N CA 0.942 53.957 53.050 -0.058 0.000 0.901 3875 N CB 0.461 38.928 38.487 -0.033 0.000 0.976 3875 N HN 0.595 nan 8.380 nan 0.000 0.444 3876 G N 0.650 109.336 108.800 -0.189 0.000 2.352 3876 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 3876 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 3876 G C -0.113 174.547 174.900 -0.399 0.000 1.249 3876 G CA -0.191 44.754 45.100 -0.258 0.000 1.053 3876 G HN 0.242 nan 8.290 nan 0.000 0.492 3877 N N -0.275 118.280 118.700 -0.242 0.000 2.368 3877 N HA 0.096 4.836 4.740 0.000 0.000 0.176 3877 N C 1.616 177.143 175.510 0.030 0.000 1.021 3877 N CA 0.912 53.908 53.050 -0.090 0.000 0.888 3877 N CB 0.108 38.598 38.487 0.006 0.000 0.995 3877 N HN 0.281 nan 8.380 nan 0.000 0.437 3878 K N -0.208 120.189 120.400 -0.005 0.000 2.374 3878 K HA 0.272 4.592 4.320 0.000 0.000 0.196 3878 K C -0.646 175.962 176.600 0.015 0.000 1.023 3878 K CA 0.147 56.444 56.287 0.016 0.000 1.103 3878 K CB 0.545 33.048 32.500 0.005 0.000 0.848 3878 K HN 0.115 nan 8.250 nan 0.000 0.528 3879 C N 1.004 120.305 119.300 0.001 0.000 3.094 3879 C HA 0.817 5.277 4.460 0.000 0.000 0.262 3879 C C 0.351 175.357 174.990 0.027 0.000 1.459 3879 C CA -0.722 58.298 59.018 0.003 0.000 1.570 3879 C CB -1.225 26.500 27.740 -0.024 0.000 2.056 3879 C HN 0.467 nan 8.230 nan 0.000 0.499 3880 A N 0.478 123.337 122.820 0.064 0.000 5.650 3880 A HA 0.952 5.272 4.320 0.000 0.000 0.194 3880 A C 0.232 177.861 177.584 0.075 0.000 0.895 3880 A CA 0.396 52.488 52.037 0.091 0.000 0.804 3880 A CB -0.453 18.654 19.000 0.178 0.000 2.103 3880 A HN 2.020 nan 8.150 nan 0.000 1.022 3881 G N -1.920 106.923 108.800 0.071 0.000 2.888 3881 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 3881 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 3881 G C -0.831 174.089 174.900 0.033 0.000 1.461 3881 G CA -0.069 45.056 45.100 0.041 0.000 0.897 3881 G HN 1.441 nan 8.290 nan 0.000 0.547 3882 L N 0.507 121.742 121.223 0.020 0.000 2.292 3882 L HA 0.497 4.837 4.340 0.000 0.000 0.284 3882 L C 0.578 177.464 176.870 0.027 0.000 1.065 3882 L CA -0.455 54.393 54.840 0.013 0.000 0.806 3882 L CB 1.612 43.665 42.059 -0.010 0.000 1.175 3882 L HN 0.626 nan 8.230 nan 0.000 0.431 3883 N N 1.204 119.928 118.700 0.040 0.000 2.699 3883 N HA 0.211 4.951 4.740 0.000 0.000 0.232 3883 N C 0.843 176.379 175.510 0.042 0.000 1.027 3883 N CA -0.359 52.739 53.050 0.080 0.000 0.920 3883 N CB 0.960 39.510 38.487 0.105 0.000 1.148 3883 N HN 0.446 nan 8.380 nan 0.000 0.509 3884 V N 0.780 120.665 119.914 -0.048 0.000 2.913 3884 V HA -0.034 4.086 4.120 0.000 0.000 0.260 3884 V C 1.439 177.425 176.094 -0.181 0.000 1.098 3884 V CA 1.228 63.436 62.300 -0.153 0.000 1.121 3884 V CB -1.201 30.463 31.823 -0.265 0.000 0.714 3884 V HN 0.409 nan 8.190 nan 0.000 0.487 3885 F N 2.506 122.457 119.950 0.001 0.000 2.206 3885 F HA -0.055 4.472 4.527 0.000 0.000 0.298 3885 F C 2.728 178.529 175.800 0.002 0.000 1.090 3885 F CA 1.863 59.864 58.000 0.002 0.000 1.323 3885 F CB -0.386 38.615 39.000 0.002 0.000 1.028 3885 F HN 0.366 nan 8.300 nan 0.000 0.492 3886 T N -3.770 110.891 114.554 0.179 0.000 3.022 3886 T HA 0.363 4.713 4.350 0.000 0.000 0.250 3886 T C 1.437 176.168 174.700 0.052 0.000 1.060 3886 T CA 0.421 62.578 62.100 0.096 0.000 1.013 3886 T CB 0.271 69.186 68.868 0.079 0.000 0.982 3886 T HN 0.376 nan 8.240 nan 0.000 0.508 3887 G N 1.056 109.878 108.800 0.037 0.000 2.291 3887 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 3887 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 3887 G C 0.036 174.943 174.900 0.012 0.000 1.099 3887 G CA -0.229 44.876 45.100 0.008 0.000 0.919 3887 G HN 1.393 nan 8.290 nan 0.000 0.496 3888 A N -1.508 121.323 122.820 0.020 0.000 2.601 3888 A HA 0.903 5.223 4.320 0.000 0.000 0.291 3888 A C 0.035 177.634 177.584 0.024 0.000 1.075 3888 A CA 0.110 52.158 52.037 0.020 0.000 0.671 3888 A CB 1.398 20.412 19.000 0.023 0.000 1.277 3888 A HN 1.818 nan 8.150 nan 0.000 0.417 3889 V N 1.415 121.343 119.914 0.022 0.000 2.673 3889 V HA 0.451 4.571 4.120 0.000 0.000 0.303 3889 V C -0.042 176.071 176.094 0.032 0.000 1.046 3889 V CA 0.932 63.249 62.300 0.027 0.000 1.126 3889 V CB 0.516 32.355 31.823 0.026 0.000 0.934 3889 V HN 0.908 nan 8.190 nan 0.000 0.487 3890 E N 3.617 123.839 120.200 0.037 0.000 2.350 3890 E HA 0.449 4.799 4.350 0.000 0.000 0.243 3890 E C -1.649 174.973 176.600 0.037 0.000 0.959 3890 E CA -0.716 55.706 56.400 0.037 0.000 0.883 3890 E CB 0.865 30.591 29.700 0.044 0.000 1.820 3890 E HN 0.659 nan 8.360 nan 0.000 0.441 3891 D N 1.402 121.822 120.400 0.033 0.000 2.427 3891 D HA 0.234 4.874 4.640 0.000 0.000 0.226 3891 D C 1.085 177.407 176.300 0.035 0.000 1.076 3891 D CA -0.304 53.714 54.000 0.030 0.000 0.849 3891 D CB 1.022 41.834 40.800 0.019 0.000 1.052 3891 D HN 0.162 nan 8.370 nan 0.000 0.515 3892 M N 0.386 120.012 119.600 0.043 0.000 2.099 3892 M HA -0.123 4.357 4.480 0.000 0.000 0.262 3892 M C 2.286 178.607 176.300 0.036 0.000 1.067 3892 M CA 0.886 56.214 55.300 0.047 0.000 1.124 3892 M CB -0.827 31.803 32.600 0.051 0.000 1.353 3892 M HN 0.502 nan 8.290 nan 0.000 0.410 3893 C N 0.700 120.019 119.300 0.031 0.000 2.429 3893 C HA -0.163 4.297 4.460 0.000 0.000 0.277 3893 C C 2.707 177.706 174.990 0.015 0.000 1.262 3893 C CA 1.347 60.378 59.018 0.022 0.000 1.733 3893 C CB -0.930 26.822 27.740 0.020 0.000 2.010 3893 C HN 0.633 nan 8.230 nan 0.000 0.483 3894 E N 0.131 120.339 120.200 0.014 0.000 2.118 3894 E HA -0.202 4.148 4.350 0.000 0.000 0.195 3894 E C 1.206 177.810 176.600 0.005 0.000 0.992 3894 E CA 1.358 57.763 56.400 0.008 0.000 0.804 3894 E CB -0.145 29.560 29.700 0.008 0.000 0.741 3894 E HN 0.630 nan 8.360 nan 0.000 0.458 3895 N N -0.528 118.178 118.700 0.011 0.000 2.398 3895 N HA 0.041 4.781 4.740 0.000 0.000 0.188 3895 N C 0.591 176.099 175.510 -0.002 0.000 1.122 3895 N CA 0.910 53.962 53.050 0.003 0.000 0.866 3895 N CB 0.945 39.441 38.487 0.015 0.000 0.970 3895 N HN 0.320 nan 8.380 nan 0.000 0.462 3896 G N 0.151 108.954 108.800 0.005 0.000 2.160 3896 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 3896 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 3896 G C -0.075 174.835 174.900 0.017 0.000 1.008 3896 G CA 0.150 45.252 45.100 0.005 0.000 0.724 3896 G HN 0.196 nan 8.290 nan 0.000 0.514 3897 V N 1.379 121.313 119.914 0.034 0.000 2.222 3897 V HA 0.482 4.602 4.120 0.000 0.000 0.253 3897 V C 0.789 176.911 176.094 0.047 0.000 1.210 3897 V CA 0.111 62.446 62.300 0.058 0.000 1.079 3897 V CB 0.494 32.370 31.823 0.088 0.000 1.265 3897 V HN 1.022 nan 8.190 nan 0.000 0.494 3898 V N 1.234 121.171 119.914 0.038 0.000 2.876 3898 V HA 0.795 4.915 4.120 0.000 0.000 0.312 3898 V C -0.703 175.408 176.094 0.029 0.000 1.085 3898 V CA -0.819 61.499 62.300 0.031 0.000 0.945 3898 V CB 2.484 34.321 31.823 0.023 0.000 1.017 3898 V HN 0.625 nan 8.190 nan 0.000 0.428 3899 E N 2.859 123.075 120.200 0.025 0.000 2.317 3899 E HA 0.533 4.883 4.350 0.000 0.000 0.270 3899 E C -2.972 173.639 176.600 0.018 0.000 0.885 3899 E CA -2.264 54.149 56.400 0.022 0.000 0.760 3899 E CB 2.745 32.458 29.700 0.021 0.000 1.227 3899 E HN 0.549 nan 8.360 nan 0.000 0.434 3900 P HA -0.098 nan 4.420 nan 0.000 0.266 3900 P C 0.507 177.815 177.300 0.014 0.000 1.193 3900 P CA -0.100 63.008 63.100 0.014 0.000 0.770 3900 P CB 0.529 32.237 31.700 0.013 0.000 0.836 3901 L N 4.069 125.300 121.223 0.014 0.000 2.042 3901 L HA -0.172 4.168 4.340 0.000 0.000 0.210 3901 L C 2.345 179.223 176.870 0.014 0.000 1.076 3901 L CA 1.868 56.717 54.840 0.014 0.000 0.749 3901 L CB -0.839 41.228 42.059 0.013 0.000 0.893 3901 L HN 0.308 nan 8.230 nan 0.000 0.432 3902 R N -0.967 119.541 120.500 0.013 0.000 2.105 3902 R HA -0.150 4.190 4.340 0.000 0.000 0.239 3902 R C 2.045 178.354 176.300 0.014 0.000 1.135 3902 R CA 1.792 57.900 56.100 0.013 0.000 0.967 3902 R CB -0.299 30.008 30.300 0.012 0.000 0.861 3902 R HN 0.395 nan 8.270 nan 0.000 0.442 3903 V N 1.441 121.363 119.914 0.014 0.000 2.255 3903 V HA -0.275 3.845 4.120 0.000 0.000 0.247 3903 V C 2.285 178.388 176.094 0.014 0.000 1.051 3903 V CA 1.876 64.183 62.300 0.013 0.000 1.018 3903 V CB -0.358 31.473 31.823 0.013 0.000 0.641 3903 V HN 0.292 nan 8.190 nan 0.000 0.445 3904 K N -0.391 120.018 120.400 0.015 0.000 2.167 3904 K HA -0.008 4.312 4.320 0.000 0.000 0.203 3904 K C 2.177 178.790 176.600 0.023 0.000 1.052 3904 K CA 1.292 57.589 56.287 0.016 0.000 0.956 3904 K CB -0.657 31.852 32.500 0.015 0.000 0.735 3904 K HN 0.494 nan 8.250 nan 0.000 0.451 3905 T N 1.376 115.944 114.554 0.023 0.000 2.812 3905 T HA -0.133 4.217 4.350 0.000 0.000 0.264 3905 T C 1.912 176.631 174.700 0.031 0.000 1.042 3905 T CA 1.292 63.408 62.100 0.028 0.000 1.140 3905 T CB -0.034 68.847 68.868 0.022 0.000 0.870 3905 T HN 0.122 nan 8.240 nan 0.000 0.445 3906 Q N 1.320 121.135 119.800 0.025 0.000 2.123 3906 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 3906 Q C 2.248 178.264 176.000 0.028 0.000 0.966 3906 Q CA 1.522 57.340 55.803 0.025 0.000 0.845 3906 Q CB -0.669 28.081 28.738 0.019 0.000 0.907 3906 Q HN 0.471 nan 8.270 nan 0.000 0.439 3907 A N 0.523 123.357 122.820 0.024 0.000 1.883 3907 A HA -0.156 4.164 4.320 0.000 0.000 0.217 3907 A C 1.939 179.541 177.584 0.030 0.000 1.186 3907 A CA 1.593 53.642 52.037 0.020 0.000 0.624 3907 A CB -0.680 18.327 19.000 0.011 0.000 0.822 3907 A HN 0.444 nan 8.150 nan 0.000 0.444 3908 I N -0.370 120.227 120.570 0.044 0.000 2.252 3908 I HA -0.178 3.992 4.170 0.000 0.000 0.245 3908 I C 2.661 178.839 176.117 0.101 0.000 1.102 3908 I CA 1.161 62.509 61.300 0.081 0.000 1.385 3908 I CB -1.431 36.631 38.000 0.103 0.000 1.064 3908 I HN 0.361 nan 8.210 nan 0.000 0.414 3909 Q N 0.703 120.547 119.800 0.074 0.000 2.002 3909 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 3909 Q C 2.505 178.546 176.000 0.067 0.000 0.988 3909 Q CA 1.883 57.727 55.803 0.069 0.000 0.843 3909 Q CB -0.550 28.216 28.738 0.047 0.000 0.908 3909 Q HN 0.387 nan 8.270 nan 0.000 0.420 3910 S N 0.820 116.551 115.700 0.051 0.000 2.356 3910 S HA -0.132 4.338 4.470 0.000 0.000 0.223 3910 S C 1.944 176.576 174.600 0.052 0.000 1.032 3910 S CA 1.150 59.376 58.200 0.044 0.000 1.005 3910 S CB -0.276 62.943 63.200 0.031 0.000 0.867 3910 S HN 0.517 nan 8.310 nan 0.000 0.449 3911 A N 1.398 124.250 122.820 0.054 0.000 1.873 3911 A HA 0.165 4.485 4.320 0.000 0.000 0.215 3911 A C 2.332 179.973 177.584 0.095 0.000 1.186 3911 A CA 1.707 53.775 52.037 0.051 0.000 0.616 3911 A CB -1.072 17.942 19.000 0.023 0.000 0.823 3911 A HN 0.515 nan 8.150 nan 0.000 0.442 3912 A N -0.691 122.222 122.820 0.154 0.000 1.898 3912 A HA -0.025 4.295 4.320 0.000 0.000 0.214 3912 A C 1.961 179.675 177.584 0.216 0.000 1.183 3912 A CA 1.912 54.122 52.037 0.288 0.000 0.622 3912 A CB -0.394 18.873 19.000 0.446 0.000 0.824 3912 A HN 0.489 nan 8.150 nan 0.000 0.444 3913 E N 0.068 120.352 120.200 0.139 0.000 2.150 3913 E HA -0.112 4.238 4.350 0.000 0.000 0.193 3913 E C 2.134 178.779 176.600 0.074 0.000 0.985 3913 E CA 1.355 57.813 56.400 0.096 0.000 0.814 3913 E CB -0.328 29.413 29.700 0.069 0.000 0.752 3913 E HN 0.458 nan 8.360 nan 0.000 0.466 3914 S N -1.302 114.439 115.700 0.068 0.000 2.368 3914 S HA -0.131 4.339 4.470 0.000 0.000 0.224 3914 S C 1.898 176.523 174.600 0.041 0.000 1.029 3914 S CA 1.763 59.991 58.200 0.047 0.000 0.988 3914 S CB -0.541 62.682 63.200 0.039 0.000 0.838 3914 S HN 0.421 nan 8.310 nan 0.000 0.462 3915 T N 1.831 116.423 114.554 0.063 0.000 2.674 3915 T HA -0.082 4.268 4.350 0.000 0.000 0.265 3915 T C 1.841 176.543 174.700 0.003 0.000 1.039 3915 T CA 1.401 63.524 62.100 0.039 0.000 1.150 3915 T CB -0.491 68.446 68.868 0.115 0.000 0.864 3915 T HN 0.426 nan 8.240 nan 0.000 0.427 3916 E N 0.798 121.039 120.200 0.068 0.000 2.153 3916 E HA -0.122 4.228 4.350 0.000 0.000 0.194 3916 E C 2.117 178.727 176.600 0.017 0.000 0.988 3916 E CA 0.827 57.255 56.400 0.047 0.000 0.811 3916 E CB -0.237 29.528 29.700 0.108 0.000 0.746 3916 E HN 0.502 nan 8.360 nan 0.000 0.466 3917 M N -0.173 119.442 119.600 0.024 0.000 2.099 3917 M HA -0.177 4.304 4.480 0.000 0.000 0.262 3917 M C 1.878 178.179 176.300 0.001 0.000 1.067 3917 M CA 1.058 56.368 55.300 0.016 0.000 1.124 3917 M CB 0.009 32.623 32.600 0.022 0.000 1.353 3917 M HN 0.097 nan 8.290 nan 0.000 0.410 3918 L N 0.755 121.975 121.223 -0.005 0.000 2.201 3918 L HA -0.102 4.238 4.340 0.000 0.000 0.212 3918 L C 2.148 178.997 176.870 -0.035 0.000 1.105 3918 L CA 1.494 56.326 54.840 -0.013 0.000 0.775 3918 L CB -1.065 40.985 42.059 -0.014 0.000 0.913 3918 L HN 0.388 nan 8.230 nan 0.000 0.440 3919 L N -1.269 119.916 121.223 -0.063 0.000 2.265 3919 L HA -0.189 4.151 4.340 0.000 0.000 0.215 3919 L C 2.501 179.339 176.870 -0.052 0.000 1.117 3919 L CA 0.844 55.630 54.840 -0.091 0.000 0.782 3919 L CB -0.359 41.607 42.059 -0.155 0.000 0.914 3919 L HN 0.233 nan 8.230 nan 0.000 0.441 3920 R N -0.367 120.117 120.500 -0.026 0.000 2.153 3920 R HA 0.013 4.353 4.340 0.000 0.000 0.218 3920 R C 0.182 176.480 176.300 -0.005 0.000 1.072 3920 R CA 0.372 56.468 56.100 -0.007 0.000 0.990 3920 R CB -0.051 30.251 30.300 0.004 0.000 0.889 3920 R HN 0.123 nan 8.270 nan 0.000 0.452 3921 I N 1.424 121.990 120.570 -0.006 0.000 2.396 3921 I HA -0.035 4.135 4.170 0.000 0.000 0.289 3921 I C 0.470 176.586 176.117 -0.001 0.000 1.056 3921 I CA 0.509 61.810 61.300 0.002 0.000 1.365 3921 I CB 1.157 39.163 38.000 0.009 0.000 1.407 3921 I HN -0.102 nan 8.210 nan 0.000 0.509 3922 D N 3.542 123.944 120.400 0.003 0.000 2.535 3922 D HA 0.138 4.778 4.640 0.000 0.000 0.229 3922 D C -0.909 175.400 176.300 0.015 0.000 1.238 3922 D CA 0.144 54.146 54.000 0.003 0.000 0.824 3922 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 3922 D HN 0.446 nan 8.370 nan 0.000 0.500 3923 D N -0.259 120.152 120.400 0.019 0.000 2.931 3923 D HA 0.208 4.848 4.640 0.000 0.000 0.215 3923 D C -1.480 174.830 176.300 0.017 0.000 1.297 3923 D CA -0.438 53.574 54.000 0.021 0.000 0.892 3923 D CB 1.884 42.692 40.800 0.014 0.000 1.642 3923 D HN -0.256 nan 8.370 nan 0.000 0.560 3924 V N 4.982 124.908 119.914 0.019 0.000 2.378 3924 V HA 0.526 4.646 4.120 0.000 0.000 0.288 3924 V C 0.138 176.225 176.094 -0.011 0.000 1.016 3924 V CA -0.546 61.753 62.300 -0.002 0.000 0.840 3924 V CB 1.369 33.184 31.823 -0.013 0.000 0.994 3924 V HN 0.489 nan 8.190 nan 0.000 0.431 3925 I N 4.518 125.078 120.570 -0.018 0.000 2.411 3925 I HA 0.688 4.858 4.170 0.000 0.000 0.284 3925 I C 0.237 176.338 176.117 -0.027 0.000 1.012 3925 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 3925 I CB 1.745 39.738 38.000 -0.011 0.000 1.261 3925 I HN 0.647 nan 8.210 nan 0.000 0.448 3926 A N 5.118 127.918 122.820 -0.032 0.000 2.304 3926 A HA 0.862 5.182 4.320 0.000 0.000 0.323 3926 A C 0.160 177.729 177.584 -0.024 0.000 1.195 3926 A CA -0.485 51.531 52.037 -0.035 0.000 0.826 3926 A CB 1.068 20.039 19.000 -0.049 0.000 1.184 3926 A HN 0.775 nan 8.150 nan 0.000 0.496 3927 A N 2.393 125.201 122.820 -0.020 0.000 2.386 3927 A HA 0.476 4.796 4.320 0.000 0.000 0.248 3927 A C 0.454 178.029 177.584 -0.015 0.000 1.082 3927 A CA -0.196 51.832 52.037 -0.015 0.000 0.789 3927 A CB 0.010 19.003 19.000 -0.012 0.000 1.025 3927 A HN 0.875 nan 8.150 nan 0.000 0.490 3928 E N 0.000 120.193 120.200 -0.012 0.000 2.725 3928 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3928 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 3928 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 3928 E HN 0.000 nan 8.360 nan 0.000 0.440