REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3izl_1_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 KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3438 V HA 0.000 nan 4.120 nan 0.000 0.244 3438 V C 0.000 176.090 176.094 -0.006 0.000 1.182 3438 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 3438 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 3439 L N 2.395 123.613 121.223 -0.008 0.000 2.325 3439 L HA 0.581 4.921 4.340 0.000 0.000 0.279 3439 L C -2.174 174.691 176.870 -0.008 0.000 1.054 3439 L CA -1.553 53.282 54.840 -0.008 0.000 0.804 3439 L CB 0.755 42.807 42.059 -0.010 0.000 1.200 3439 L HN 0.140 nan 8.230 nan 0.000 0.436 3440 P HA 0.020 nan 4.420 nan 0.000 0.266 3440 P C -0.535 176.759 177.300 -0.009 0.000 1.195 3440 P CA -0.256 62.841 63.100 -0.006 0.000 0.768 3440 P CB 0.459 32.156 31.700 -0.005 0.000 0.838 3441 E N 2.541 122.735 120.200 -0.009 0.000 2.376 3441 E HA -0.040 4.311 4.350 0.000 0.000 0.266 3441 E C 0.135 176.729 176.600 -0.009 0.000 1.009 3441 E CA 0.092 56.486 56.400 -0.010 0.000 0.902 3441 E CB 0.032 29.726 29.700 -0.009 0.000 0.972 3441 E HN 0.374 nan 8.360 nan 0.000 0.439 3442 N N 1.905 120.599 118.700 -0.010 0.000 2.990 3442 N HA -0.189 4.552 4.740 0.000 0.000 0.163 3442 N C -0.151 175.357 175.510 -0.004 0.000 1.452 3442 N CA 0.736 53.782 53.050 -0.006 0.000 1.624 3442 N CB -1.226 37.259 38.487 -0.002 0.000 1.088 3442 N HN 0.590 nan 8.380 nan 0.000 0.695 3443 M N 2.752 122.348 119.600 -0.007 0.000 2.249 3443 M HA 0.063 4.543 4.480 0.000 0.000 0.340 3443 M C 0.237 176.528 176.300 -0.015 0.000 1.166 3443 M CA 0.481 55.778 55.300 -0.006 0.000 1.115 3443 M CB 0.439 33.034 32.600 -0.007 0.000 1.606 3443 M HN 0.108 nan 8.290 nan 0.000 0.448 3444 K N 4.695 125.093 120.400 -0.003 0.000 2.259 3444 K HA 0.685 5.005 4.320 0.000 0.000 0.249 3444 K C -1.238 175.351 176.600 -0.017 0.000 0.942 3444 K CA -1.053 55.220 56.287 -0.023 0.000 0.816 3444 K CB 2.247 34.772 32.500 0.040 0.000 1.155 3444 K HN 0.788 nan 8.250 nan 0.000 0.428 3445 R N 2.259 122.684 120.500 -0.125 0.000 2.548 3445 R HA 0.316 4.656 4.340 0.000 0.000 0.280 3445 R C -1.814 174.337 176.300 -0.249 0.000 1.061 3445 R CA -0.599 55.456 56.100 -0.077 0.000 0.915 3445 R CB 1.327 31.592 30.300 -0.058 0.000 1.210 3445 R HN 0.744 nan 8.270 nan 0.000 0.442 3446 Y N 4.171 124.471 120.300 -0.001 0.000 2.485 3446 Y HA 0.596 5.146 4.550 0.000 0.000 0.345 3446 Y C 0.245 176.148 175.900 0.006 0.000 0.998 3446 Y CA -0.861 57.244 58.100 0.008 0.000 1.059 3446 Y CB 2.307 40.780 38.460 0.022 0.000 1.234 3446 Y HN 0.426 nan 8.280 nan 0.000 0.461 3447 M N 0.892 120.581 119.600 0.147 0.000 2.520 3447 M HA 0.755 5.235 4.480 0.000 0.000 0.280 3447 M C 0.019 176.358 176.300 0.065 0.000 1.232 3447 M CA -0.216 55.132 55.300 0.079 0.000 0.892 3447 M CB 1.271 33.893 32.600 0.036 0.000 1.728 3447 M HN 0.874 nan 8.290 nan 0.000 0.475 3448 G N 2.943 111.767 108.800 0.040 0.000 2.622 3448 G HA2 -0.368 3.592 3.960 0.000 0.000 0.307 3448 G HA3 -0.368 3.592 3.960 0.000 0.000 0.307 3448 G C 0.614 175.532 174.900 0.029 0.000 1.226 3448 G CA 1.196 46.309 45.100 0.021 0.000 0.997 3448 G HN 1.169 nan 8.290 nan 0.000 0.551 3449 R N 0.337 120.851 120.500 0.024 0.000 2.127 3449 R HA -0.079 4.261 4.340 0.000 0.000 0.238 3449 R C 2.126 178.454 176.300 0.046 0.000 1.134 3449 R CA 2.216 58.331 56.100 0.024 0.000 0.975 3449 R CB -0.391 29.919 30.300 0.017 0.000 0.865 3449 R HN 0.613 nan 8.270 nan 0.000 0.447 3450 D N -0.144 120.304 120.400 0.080 0.000 2.194 3450 D HA -0.063 4.577 4.640 0.000 0.000 0.204 3450 D C 1.669 178.056 176.300 0.145 0.000 0.964 3450 D CA 1.202 55.285 54.000 0.139 0.000 0.846 3450 D CB -0.024 40.905 40.800 0.215 0.000 0.962 3450 D HN 0.360 nan 8.370 nan 0.000 0.490 3451 A N 1.084 123.988 122.820 0.141 0.000 1.898 3451 A HA -0.172 4.148 4.320 0.000 0.000 0.216 3451 A C 2.143 179.755 177.584 0.047 0.000 1.181 3451 A CA 1.124 53.226 52.037 0.108 0.000 0.620 3451 A CB -0.277 18.789 19.000 0.110 0.000 0.819 3451 A HN 0.062 nan 8.150 nan 0.000 0.442 3452 Q N -0.890 118.931 119.800 0.035 0.000 2.123 3452 Q HA -0.122 4.219 4.340 0.000 0.000 0.199 3452 Q C 2.243 178.239 176.000 -0.006 0.000 0.966 3452 Q CA 1.573 57.384 55.803 0.013 0.000 0.845 3452 Q CB -0.318 28.424 28.738 0.007 0.000 0.907 3452 Q HN 0.616 nan 8.270 nan 0.000 0.439 3453 R N 1.128 121.626 120.500 -0.004 0.000 2.066 3453 R HA -0.011 4.329 4.340 0.000 0.000 0.232 3453 R C 2.152 178.417 176.300 -0.058 0.000 1.131 3453 R CA 1.433 57.521 56.100 -0.020 0.000 0.955 3453 R CB -0.587 29.713 30.300 -0.001 0.000 0.851 3453 R HN 0.247 nan 8.270 nan 0.000 0.432 3454 M N 0.304 119.860 119.600 -0.073 0.000 2.080 3454 M HA -0.201 4.279 4.480 0.000 0.000 0.260 3454 M C 1.064 177.234 176.300 -0.216 0.000 1.068 3454 M CA 2.197 57.407 55.300 -0.150 0.000 1.109 3454 M CB -0.264 32.167 32.600 -0.280 0.000 1.342 3454 M HN 0.157 nan 8.290 nan 0.000 0.405 3455 N N 0.744 119.369 118.700 -0.124 0.000 2.120 3455 N HA -0.074 4.667 4.740 0.000 0.000 0.188 3455 N C 1.590 176.964 175.510 -0.227 0.000 1.024 3455 N CA 1.640 54.568 53.050 -0.203 0.000 0.852 3455 N CB -0.441 38.065 38.487 0.033 0.000 1.003 3455 N HN 0.442 nan 8.380 nan 0.000 0.424 3456 I N -0.074 120.423 120.570 -0.122 0.000 2.315 3456 I HA -0.184 3.986 4.170 0.000 0.000 0.248 3456 I C 1.987 178.034 176.117 -0.116 0.000 1.117 3456 I CA 0.438 61.684 61.300 -0.089 0.000 1.404 3456 I CB -0.103 37.871 38.000 -0.043 0.000 1.071 3456 I HN 0.111 nan 8.210 nan 0.000 0.419 3457 L N 1.291 122.431 121.223 -0.139 0.000 2.017 3457 L HA -0.150 4.190 4.340 0.000 0.000 0.208 3457 L C 2.583 179.352 176.870 -0.169 0.000 1.073 3457 L CA 2.166 56.928 54.840 -0.130 0.000 0.745 3457 L CB -0.793 41.196 42.059 -0.117 0.000 0.894 3457 L HN 0.180 nan 8.230 nan 0.000 0.432 3458 A N -0.509 122.133 122.820 -0.297 0.000 1.908 3458 A HA -0.099 4.221 4.320 0.000 0.000 0.218 3458 A C 2.340 179.809 177.584 -0.191 0.000 1.181 3458 A CA 1.677 53.521 52.037 -0.322 0.000 0.627 3458 A CB -1.626 16.924 19.000 -0.750 0.000 0.818 3458 A HN 0.541 nan 8.150 nan 0.000 0.445 3459 G N -0.714 107.979 108.800 -0.178 0.000 2.408 3459 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 3459 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 3459 G C 1.684 176.541 174.900 -0.072 0.000 1.150 3459 G CA 1.201 46.243 45.100 -0.096 0.000 0.776 3459 G HN 0.525 nan 8.290 nan 0.000 0.542 3460 R N 0.690 121.143 120.500 -0.077 0.000 2.081 3460 R HA 0.077 4.417 4.340 0.000 0.000 0.235 3460 R C 2.439 178.707 176.300 -0.053 0.000 1.131 3460 R CA 1.148 57.213 56.100 -0.058 0.000 0.960 3460 R CB -0.708 29.559 30.300 -0.055 0.000 0.856 3460 R HN 0.423 nan 8.270 nan 0.000 0.436 3461 I N 0.232 120.765 120.570 -0.062 0.000 2.208 3461 I HA -0.275 3.895 4.170 0.000 0.000 0.245 3461 I C 1.755 177.848 176.117 -0.040 0.000 1.097 3461 I CA 0.880 62.151 61.300 -0.049 0.000 1.363 3461 I CB -0.280 37.689 38.000 -0.052 0.000 1.051 3461 I HN 0.155 nan 8.210 nan 0.000 0.413 3462 I N 1.017 121.562 120.570 -0.043 0.000 2.226 3462 I HA -0.247 3.923 4.170 0.000 0.000 0.245 3462 I C 2.854 178.954 176.117 -0.030 0.000 1.100 3462 I CA 1.691 62.972 61.300 -0.032 0.000 1.374 3462 I CB -1.544 36.439 38.000 -0.029 0.000 1.057 3462 I HN 0.179 nan 8.210 nan 0.000 0.413 3463 A N 0.302 123.101 122.820 -0.034 0.000 1.933 3463 A HA -0.174 4.146 4.320 0.000 0.000 0.218 3463 A C 2.174 179.738 177.584 -0.033 0.000 1.175 3463 A CA 1.300 53.317 52.037 -0.034 0.000 0.628 3463 A CB -0.396 18.581 19.000 -0.037 0.000 0.814 3463 A HN 0.354 nan 8.150 nan 0.000 0.444 3464 E N -0.371 119.809 120.200 -0.033 0.000 2.106 3464 E HA -0.108 4.243 4.350 0.000 0.000 0.192 3464 E C 2.111 178.695 176.600 -0.027 0.000 0.984 3464 E CA 1.625 58.007 56.400 -0.030 0.000 0.806 3464 E CB -0.677 29.005 29.700 -0.030 0.000 0.750 3464 E HN 0.604 nan 8.360 nan 0.000 0.458 3465 T N 1.026 115.565 114.554 -0.026 0.000 2.777 3465 T HA -0.105 4.245 4.350 0.000 0.000 0.266 3465 T C 2.107 176.794 174.700 -0.022 0.000 1.040 3465 T CA 1.788 63.874 62.100 -0.022 0.000 1.141 3465 T CB -0.118 68.738 68.868 -0.019 0.000 0.868 3465 T HN 0.209 nan 8.240 nan 0.000 0.444 3466 V N 1.436 121.336 119.914 -0.023 0.000 2.992 3466 V HA 0.134 4.254 4.120 0.000 0.000 0.250 3466 V C 2.321 178.399 176.094 -0.026 0.000 1.090 3466 V CA 0.787 63.074 62.300 -0.022 0.000 1.101 3466 V CB -0.773 31.037 31.823 -0.020 0.000 0.743 3466 V HN 0.436 nan 8.190 nan 0.000 0.468 3467 R N 2.873 123.356 120.500 -0.030 0.000 2.249 3467 R HA -0.096 4.244 4.340 0.000 0.000 0.230 3467 R C 1.920 178.199 176.300 -0.035 0.000 1.121 3467 R CA 1.805 57.885 56.100 -0.034 0.000 0.997 3467 R CB -1.038 29.240 30.300 -0.037 0.000 0.867 3467 R HN 0.687 nan 8.270 nan 0.000 0.465 3468 S N -0.128 115.553 115.700 -0.032 0.000 2.603 3468 S HA -0.039 4.432 4.470 0.000 0.000 0.220 3468 S C 1.561 176.142 174.600 -0.033 0.000 0.967 3468 S CA 0.464 58.645 58.200 -0.033 0.000 0.920 3468 S CB 0.305 63.488 63.200 -0.029 0.000 0.773 3468 S HN 0.551 nan 8.310 nan 0.000 0.529 3469 T N -0.997 113.539 114.554 -0.031 0.000 3.022 3469 T HA 0.324 4.675 4.350 0.000 0.000 0.250 3469 T C 0.380 175.060 174.700 -0.033 0.000 1.060 3469 T CA -0.477 61.606 62.100 -0.029 0.000 1.013 3469 T CB -0.468 68.387 68.868 -0.021 0.000 0.982 3469 T HN 0.267 nan 8.240 nan 0.000 0.508 3470 L N 3.012 124.213 121.223 -0.037 0.000 2.534 3470 L HA 0.501 4.841 4.340 0.000 0.000 0.271 3470 L C 0.727 177.566 176.870 -0.051 0.000 1.178 3470 L CA 1.629 56.446 54.840 -0.039 0.000 0.907 3470 L CB -0.843 41.191 42.059 -0.042 0.000 1.164 3470 L HN 0.719 nan 8.230 nan 0.000 0.482 3471 G N 4.129 112.901 108.800 -0.047 0.000 2.663 3471 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 3471 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 3471 G C -2.003 172.850 174.900 -0.078 0.000 1.288 3471 G CA -0.463 44.598 45.100 -0.065 0.000 0.836 3471 G HN 0.484 nan 8.290 nan 0.000 0.584 3472 P HA -0.008 nan 4.420 nan 0.000 0.218 3472 P C 1.420 178.617 177.300 -0.172 0.000 1.148 3472 P CA 1.459 64.475 63.100 -0.139 0.000 0.822 3472 P CB 0.055 31.550 31.700 -0.342 0.000 0.784 3473 K N -0.684 119.588 120.400 -0.212 0.000 2.446 3473 K HA 0.256 4.577 4.320 0.000 0.000 0.203 3473 K C 0.911 177.453 176.600 -0.098 0.000 1.027 3473 K CA -0.207 55.981 56.287 -0.165 0.000 1.166 3473 K CB -0.351 32.031 32.500 -0.198 0.000 0.869 3473 K HN 0.032 nan 8.250 nan 0.000 0.504 3474 G N 0.405 109.158 108.800 -0.078 0.000 2.569 3474 G HA2 0.220 4.181 3.960 0.000 0.000 0.249 3474 G HA3 0.220 4.181 3.960 0.000 0.000 0.249 3474 G C -0.053 174.822 174.900 -0.040 0.000 1.216 3474 G CA -0.456 44.612 45.100 -0.054 0.000 0.845 3474 G HN -0.014 nan 8.290 nan 0.000 0.568 3475 M N 0.202 119.781 119.600 -0.034 0.000 2.649 3475 M HA 0.380 4.861 4.480 0.000 0.000 0.294 3475 M C -0.634 175.653 176.300 -0.022 0.000 1.206 3475 M CA -0.720 54.564 55.300 -0.027 0.000 0.928 3475 M CB 1.448 34.032 32.600 -0.027 0.000 1.571 3475 M HN 0.328 nan 8.290 nan 0.000 0.501 3476 D N 0.635 121.023 120.400 -0.020 0.000 2.181 3476 D HA 0.492 5.132 4.640 0.000 0.000 0.248 3476 D C -0.652 175.636 176.300 -0.019 0.000 1.020 3476 D CA -0.301 53.689 54.000 -0.018 0.000 0.891 3476 D CB 1.214 42.004 40.800 -0.017 0.000 1.187 3476 D HN 0.146 nan 8.370 nan 0.000 0.443 3477 K N 0.465 120.854 120.400 -0.017 0.000 2.166 3477 K HA 0.562 4.883 4.320 0.000 0.000 0.245 3477 K C -0.473 176.116 176.600 -0.018 0.000 0.967 3477 K CA -0.571 55.706 56.287 -0.017 0.000 0.863 3477 K CB 1.837 34.328 32.500 -0.015 0.000 1.107 3477 K HN 0.324 nan 8.250 nan 0.000 0.436 3478 M N 3.474 123.062 119.600 -0.019 0.000 2.190 3478 M HA 0.412 4.892 4.480 0.000 0.000 0.312 3478 M C -1.722 174.570 176.300 -0.014 0.000 0.990 3478 M CA -0.597 54.691 55.300 -0.020 0.000 0.927 3478 M CB 0.640 33.224 32.600 -0.026 0.000 1.571 3478 M HN 0.409 nan 8.290 nan 0.000 0.427 3479 L N 6.083 127.300 121.223 -0.010 0.000 2.298 3479 L HA 0.609 4.950 4.340 0.000 0.000 0.284 3479 L C -1.068 175.800 176.870 -0.002 0.000 1.013 3479 L CA -0.933 53.904 54.840 -0.005 0.000 0.824 3479 L CB 1.720 43.778 42.059 -0.002 0.000 1.221 3479 L HN 0.423 nan 8.230 nan 0.000 0.418 3480 V N 2.156 122.069 119.914 -0.002 0.000 2.384 3480 V HA 0.228 4.349 4.120 0.000 0.000 0.287 3480 V C -0.189 175.907 176.094 0.003 0.000 1.020 3480 V CA -0.817 61.484 62.300 0.000 0.000 0.850 3480 V CB 1.686 33.508 31.823 -0.002 0.000 0.987 3480 V HN 0.786 nan 8.190 nan 0.000 0.436 3481 D N 2.382 122.785 120.400 0.005 0.000 2.440 3481 D HA 0.102 4.742 4.640 0.000 0.000 0.269 3481 D C 0.564 176.867 176.300 0.005 0.000 1.249 3481 D CA -0.541 53.463 54.000 0.005 0.000 1.055 3481 D CB 0.611 41.415 40.800 0.007 0.000 1.104 3481 D HN 0.411 nan 8.370 nan 0.000 0.561 3482 D N -1.341 119.062 120.400 0.005 0.000 2.310 3482 D HA -0.014 4.626 4.640 0.000 0.000 0.212 3482 D C 1.389 177.692 176.300 0.005 0.000 0.965 3482 D CA 0.755 54.758 54.000 0.005 0.000 0.879 3482 D CB -0.059 40.744 40.800 0.005 0.000 0.921 3482 D HN 0.289 nan 8.370 nan 0.000 0.510 3483 L N -1.476 119.751 121.223 0.006 0.000 2.554 3483 L HA 0.291 4.632 4.340 0.000 0.000 0.225 3483 L C 1.631 178.506 176.870 0.008 0.000 1.104 3483 L CA 0.405 55.249 54.840 0.007 0.000 0.866 3483 L CB 0.265 42.329 42.059 0.008 0.000 1.047 3483 L HN 0.221 nan 8.230 nan 0.000 0.468 3484 G N -0.258 108.547 108.800 0.008 0.000 2.195 3484 G HA2 -0.250 3.711 3.960 0.000 0.000 0.224 3484 G HA3 -0.250 3.711 3.960 0.000 0.000 0.224 3484 G C 0.074 174.981 174.900 0.012 0.000 0.990 3484 G CA -0.033 45.072 45.100 0.008 0.000 0.639 3484 G HN 0.314 nan 8.290 nan 0.000 0.514 3485 D N 1.009 121.418 120.400 0.014 0.000 2.458 3485 D HA 0.377 5.018 4.640 0.000 0.000 0.243 3485 D C 0.481 176.792 176.300 0.019 0.000 1.146 3485 D CA 0.263 54.274 54.000 0.020 0.000 0.877 3485 D CB 1.189 42.000 40.800 0.019 0.000 1.176 3485 D HN 0.237 nan 8.370 nan 0.000 0.461 3486 V N 4.727 124.657 119.914 0.026 0.000 2.370 3486 V HA 0.290 4.410 4.120 0.000 0.000 0.283 3486 V C 0.112 176.221 176.094 0.024 0.000 1.023 3486 V CA -0.813 61.496 62.300 0.015 0.000 0.857 3486 V CB 1.649 33.471 31.823 -0.000 0.000 0.985 3486 V HN 0.340 nan 8.190 nan 0.000 0.443 3487 V N 6.011 125.932 119.914 0.012 0.000 2.378 3487 V HA 0.446 4.567 4.120 0.000 0.000 0.288 3487 V C -0.211 175.882 176.094 -0.000 0.000 1.016 3487 V CA -0.545 61.765 62.300 0.016 0.000 0.840 3487 V CB 1.879 33.712 31.823 0.016 0.000 0.994 3487 V HN 0.601 nan 8.190 nan 0.000 0.431 3488 V N 4.516 124.428 119.914 -0.003 0.000 2.384 3488 V HA 0.788 4.908 4.120 0.000 0.000 0.287 3488 V C 0.091 176.184 176.094 -0.002 0.000 1.020 3488 V CA 0.032 62.321 62.300 -0.019 0.000 0.850 3488 V CB 1.611 33.401 31.823 -0.054 0.000 0.987 3488 V HN 0.987 nan 8.190 nan 0.000 0.436 3489 T N 2.987 117.538 114.554 -0.004 0.000 2.718 3489 T HA 0.376 4.726 4.350 0.000 0.000 0.306 3489 T C -0.282 174.415 174.700 -0.004 0.000 1.485 3489 T CA -0.064 62.037 62.100 0.001 0.000 0.997 3489 T CB 1.702 70.573 68.868 0.006 0.000 1.504 3489 T HN 0.789 nan 8.240 nan 0.000 0.497 3490 N N 0.213 118.912 118.700 -0.002 0.000 2.143 3490 N HA 0.235 4.975 4.740 0.000 0.000 0.222 3490 N C -0.629 174.878 175.510 -0.005 0.000 1.264 3490 N CA -0.397 52.649 53.050 -0.006 0.000 0.897 3490 N CB 0.342 38.825 38.487 -0.007 0.000 1.092 3490 N HN 0.514 nan 8.380 nan 0.000 0.516 3491 D N -0.432 119.968 120.400 -0.001 0.000 2.348 3491 D HA 0.371 5.012 4.640 0.000 0.000 0.253 3491 D C 1.466 177.764 176.300 -0.003 0.000 1.161 3491 D CA -0.041 53.958 54.000 -0.001 0.000 0.876 3491 D CB 1.137 41.939 40.800 0.003 0.000 1.160 3491 D HN 0.234 nan 8.370 nan 0.000 0.459 3492 G N 2.361 111.158 108.800 -0.004 0.000 2.418 3492 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 3492 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 3492 G C 1.463 176.361 174.900 -0.003 0.000 1.158 3492 G CA 0.610 45.707 45.100 -0.006 0.000 0.771 3492 G HN 0.477 nan 8.290 nan 0.000 0.545 3493 V N 0.846 120.759 119.914 -0.001 0.000 2.307 3493 V HA -0.161 3.960 4.120 0.000 0.000 0.245 3493 V C 3.172 179.267 176.094 0.002 0.000 1.045 3493 V CA 2.353 64.654 62.300 0.001 0.000 1.024 3493 V CB -0.868 30.956 31.823 0.003 0.000 0.651 3493 V HN 0.385 nan 8.190 nan 0.000 0.449 3494 T N 0.429 114.984 114.554 0.003 0.000 2.684 3494 T HA -0.185 4.165 4.350 0.000 0.000 0.267 3494 T C 1.815 176.516 174.700 0.003 0.000 1.036 3494 T CA 1.986 64.088 62.100 0.004 0.000 1.148 3494 T CB -0.325 68.547 68.868 0.006 0.000 0.863 3494 T HN 0.330 nan 8.240 nan 0.000 0.436 3495 I N 0.344 120.915 120.570 0.001 0.000 2.226 3495 I HA -0.148 4.023 4.170 0.000 0.000 0.245 3495 I C 2.080 178.196 176.117 -0.001 0.000 1.100 3495 I CA 0.978 62.277 61.300 -0.001 0.000 1.374 3495 I CB -0.280 37.717 38.000 -0.005 0.000 1.057 3495 I HN 0.160 nan 8.210 nan 0.000 0.413 3496 L N 0.135 121.357 121.223 -0.000 0.000 2.156 3496 L HA -0.086 4.254 4.340 0.000 0.000 0.208 3496 L C 2.469 179.341 176.870 0.004 0.000 1.095 3496 L CA 1.471 56.311 54.840 0.001 0.000 0.770 3496 L CB -0.973 41.086 42.059 0.001 0.000 0.914 3496 L HN 0.158 nan 8.230 nan 0.000 0.439 3497 R N -0.125 120.378 120.500 0.004 0.000 2.073 3497 R HA -0.094 4.246 4.340 0.000 0.000 0.229 3497 R C 1.857 178.160 176.300 0.005 0.000 1.120 3497 R CA 1.149 57.252 56.100 0.005 0.000 0.967 3497 R CB 0.104 30.407 30.300 0.005 0.000 0.862 3497 R HN 0.312 nan 8.270 nan 0.000 0.436 3498 E N 0.264 120.467 120.200 0.005 0.000 2.112 3498 E HA -0.003 4.347 4.350 0.000 0.000 0.190 3498 E C 0.801 177.404 176.600 0.005 0.000 0.979 3498 E CA 0.456 56.859 56.400 0.005 0.000 0.814 3498 E CB -0.055 29.648 29.700 0.005 0.000 0.762 3498 E HN 0.324 nan 8.360 nan 0.000 0.460 3499 M N 0.485 120.087 119.600 0.004 0.000 2.243 3499 M HA 0.047 4.528 4.480 0.000 0.000 0.341 3499 M C 0.442 176.745 176.300 0.006 0.000 1.130 3499 M CA 0.110 55.412 55.300 0.003 0.000 1.162 3499 M CB 0.999 33.600 32.600 0.001 0.000 1.497 3499 M HN -0.235 nan 8.290 nan 0.000 0.456 3500 S N 3.192 118.895 115.700 0.006 0.000 2.488 3500 S HA 0.477 4.947 4.470 0.000 0.000 0.310 3500 S C -0.529 174.078 174.600 0.011 0.000 1.093 3500 S CA -0.965 57.240 58.200 0.009 0.000 1.129 3500 S CB -0.057 63.148 63.200 0.008 0.000 0.989 3500 S HN 0.509 nan 8.310 nan 0.000 0.479 3501 V N 3.037 122.960 119.914 0.015 0.000 3.036 3501 V HA 0.615 4.735 4.120 0.000 0.000 0.308 3501 V C 0.720 176.831 176.094 0.028 0.000 1.070 3501 V CA -0.164 62.150 62.300 0.023 0.000 1.056 3501 V CB 1.145 32.984 31.823 0.027 0.000 1.084 3501 V HN 0.840 nan 8.190 nan 0.000 0.471 3502 E N -0.497 119.727 120.200 0.040 0.000 2.228 3502 E HA 0.102 4.452 4.350 0.000 0.000 0.197 3502 E C 0.405 177.029 176.600 0.041 0.000 0.909 3502 E CA -0.092 56.328 56.400 0.034 0.000 0.911 3502 E CB 0.080 29.798 29.700 0.030 0.000 0.887 3502 E HN 0.824 nan 8.360 nan 0.000 0.481 3503 H N 1.911 120.967 119.070 -0.023 0.000 2.764 3503 H HA 0.031 4.587 4.556 0.000 0.000 0.341 3503 H C -1.874 173.439 175.328 -0.024 0.000 1.072 3503 H CA -1.516 54.512 56.048 -0.034 0.000 1.444 3503 H CB 1.390 31.120 29.762 -0.054 0.000 1.458 3503 H HN -0.121 nan 8.280 nan 0.000 0.572 3504 P HA -0.135 nan 4.420 nan 0.000 0.216 3504 P C 1.087 178.492 177.300 0.174 0.000 1.150 3504 P CA 2.040 65.162 63.100 0.037 0.000 0.837 3504 P CB 0.102 31.762 31.700 -0.067 0.000 0.786 3505 A N -0.026 123.056 122.820 0.437 0.000 1.902 3505 A HA -0.104 4.217 4.320 0.000 0.000 0.217 3505 A C 2.319 179.948 177.584 0.075 0.000 1.181 3505 A CA 2.045 54.196 52.037 0.189 0.000 0.623 3505 A CB -1.555 17.463 19.000 0.029 0.000 0.818 3505 A HN 0.198 nan 8.150 nan 0.000 0.443 3506 A N -0.262 122.603 122.820 0.075 0.000 1.930 3506 A HA -0.154 4.167 4.320 0.000 0.000 0.217 3506 A C 2.121 179.728 177.584 0.037 0.000 1.175 3506 A CA 1.947 54.001 52.037 0.028 0.000 0.627 3506 A CB -0.440 18.574 19.000 0.023 0.000 0.815 3506 A HN 0.554 nan 8.150 nan 0.000 0.443 3507 K N -0.836 119.597 120.400 0.056 0.000 2.097 3507 K HA -0.091 4.229 4.320 0.000 0.000 0.206 3507 K C 1.996 178.615 176.600 0.032 0.000 1.049 3507 K CA 1.613 57.922 56.287 0.037 0.000 0.933 3507 K CB -0.232 32.288 32.500 0.034 0.000 0.717 3507 K HN 0.520 nan 8.250 nan 0.000 0.442 3508 M N 0.132 119.755 119.600 0.039 0.000 2.200 3508 M HA -0.133 4.347 4.480 0.000 0.000 0.265 3508 M C 1.842 178.156 176.300 0.023 0.000 1.066 3508 M CA 0.932 56.251 55.300 0.031 0.000 1.127 3508 M CB -0.083 32.540 32.600 0.038 0.000 1.379 3508 M HN 0.095 nan 8.290 nan 0.000 0.420 3509 L N 0.312 121.546 121.223 0.019 0.000 2.131 3509 L HA -0.129 4.211 4.340 0.000 0.000 0.210 3509 L C 2.152 179.027 176.870 0.008 0.000 1.092 3509 L CA 1.667 56.513 54.840 0.010 0.000 0.759 3509 L CB -0.656 41.404 42.059 0.001 0.000 0.903 3509 L HN 0.260 nan 8.230 nan 0.000 0.435 3510 I N -0.900 119.677 120.570 0.010 0.000 2.226 3510 I HA -0.296 3.874 4.170 0.000 0.000 0.245 3510 I C 2.270 178.393 176.117 0.009 0.000 1.100 3510 I CA 1.259 62.564 61.300 0.009 0.000 1.374 3510 I CB -0.253 37.754 38.000 0.011 0.000 1.057 3510 I HN 0.317 nan 8.210 nan 0.000 0.413 3511 E N 0.160 120.368 120.200 0.012 0.000 2.106 3511 E HA -0.145 4.205 4.350 0.000 0.000 0.192 3511 E C 2.317 178.924 176.600 0.011 0.000 0.984 3511 E CA 1.008 57.415 56.400 0.012 0.000 0.806 3511 E CB 0.031 29.739 29.700 0.014 0.000 0.750 3511 E HN 0.279 nan 8.360 nan 0.000 0.458 3512 V N 1.355 121.277 119.914 0.012 0.000 2.358 3512 V HA -0.261 3.860 4.120 0.000 0.000 0.246 3512 V C 2.320 178.419 176.094 0.009 0.000 1.047 3512 V CA 1.834 64.142 62.300 0.012 0.000 1.035 3512 V CB -0.644 31.188 31.823 0.014 0.000 0.658 3512 V HN 0.319 nan 8.190 nan 0.000 0.452 3513 A N -0.322 122.502 122.820 0.007 0.000 1.933 3513 A HA -0.241 4.079 4.320 0.000 0.000 0.218 3513 A C 2.280 179.867 177.584 0.005 0.000 1.175 3513 A CA 1.944 53.984 52.037 0.004 0.000 0.628 3513 A CB -0.412 18.590 19.000 0.002 0.000 0.814 3513 A HN 0.555 nan 8.150 nan 0.000 0.444 3514 K N -0.960 119.444 120.400 0.006 0.000 2.097 3514 K HA -0.074 4.246 4.320 0.000 0.000 0.205 3514 K C 2.030 178.633 176.600 0.006 0.000 1.050 3514 K CA 1.663 57.954 56.287 0.006 0.000 0.938 3514 K CB -0.308 32.196 32.500 0.007 0.000 0.718 3514 K HN 0.457 nan 8.250 nan 0.000 0.442 3515 T N 0.946 115.504 114.554 0.008 0.000 2.821 3515 T HA -0.170 4.181 4.350 0.000 0.000 0.267 3515 T C 1.819 176.524 174.700 0.008 0.000 1.046 3515 T CA 1.283 63.387 62.100 0.008 0.000 1.139 3515 T CB -0.127 68.747 68.868 0.010 0.000 0.871 3515 T HN 0.168 nan 8.240 nan 0.000 0.454 3516 Q N 1.232 121.037 119.800 0.007 0.000 2.124 3516 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 3516 Q C 2.112 178.115 176.000 0.006 0.000 0.977 3516 Q CA 1.709 57.516 55.803 0.007 0.000 0.850 3516 Q CB -0.271 28.470 28.738 0.005 0.000 0.901 3516 Q HN 0.463 nan 8.270 nan 0.000 0.429 3517 E N 0.116 120.319 120.200 0.005 0.000 2.072 3517 E HA -0.133 4.217 4.350 0.000 0.000 0.191 3517 E C 1.567 178.170 176.600 0.005 0.000 0.985 3517 E CA 1.521 57.924 56.400 0.005 0.000 0.801 3517 E CB -0.015 29.687 29.700 0.004 0.000 0.750 3517 E HN 0.362 nan 8.360 nan 0.000 0.452 3518 K N -0.070 120.333 120.400 0.005 0.000 2.097 3518 K HA -0.107 4.213 4.320 0.000 0.000 0.205 3518 K C 2.069 178.672 176.600 0.005 0.000 1.050 3518 K CA 1.346 57.636 56.287 0.005 0.000 0.938 3518 K CB 0.019 32.522 32.500 0.005 0.000 0.718 3518 K HN 0.107 nan 8.250 nan 0.000 0.442 3519 E N -0.002 120.201 120.200 0.006 0.000 2.045 3519 E HA -0.053 4.298 4.350 0.000 0.000 0.190 3519 E C 2.129 178.733 176.600 0.007 0.000 0.968 3519 E CA 1.027 57.431 56.400 0.007 0.000 0.813 3519 E CB 0.061 29.766 29.700 0.008 0.000 0.780 3519 E HN 0.031 nan 8.360 nan 0.000 0.455 3520 V N -1.081 118.837 119.914 0.007 0.000 3.048 3520 V HA 0.237 4.357 4.120 0.000 0.000 0.241 3520 V C 1.630 177.728 176.094 0.006 0.000 1.129 3520 V CA 1.032 63.336 62.300 0.007 0.000 1.128 3520 V CB 0.493 32.320 31.823 0.007 0.000 0.849 3520 V HN 0.474 nan 8.190 nan 0.000 0.475 3521 G N 0.172 108.976 108.800 0.006 0.000 4.165 3521 G HA2 -0.248 3.712 3.960 0.000 0.000 0.211 3521 G HA3 -0.248 3.712 3.960 0.000 0.000 0.211 3521 G C 0.222 175.125 174.900 0.005 0.000 1.469 3521 G CA 0.332 45.436 45.100 0.006 0.000 0.964 3521 G HN 0.438 nan 8.290 nan 0.000 0.613 3522 D N 1.096 121.500 120.400 0.006 0.000 2.506 3522 D HA 0.492 5.132 4.640 0.000 0.000 0.272 3522 D C 1.506 177.807 176.300 0.003 0.000 1.214 3522 D CA 1.181 55.184 54.000 0.005 0.000 1.067 3522 D CB 0.708 41.513 40.800 0.008 0.000 1.117 3522 D HN 1.630 nan 8.370 nan 0.000 0.578 3523 G N -0.523 108.277 108.800 0.001 0.000 2.143 3523 G HA2 -0.318 3.643 3.960 0.000 0.000 0.249 3523 G HA3 -0.318 3.643 3.960 0.000 0.000 0.249 3523 G C 1.034 175.931 174.900 -0.006 0.000 0.981 3523 G CA 1.488 46.586 45.100 -0.003 0.000 0.665 3523 G HN 0.603 nan 8.290 nan 0.000 0.528 3524 T N -2.429 112.123 114.554 -0.005 0.000 2.612 3524 T HA -0.086 4.264 4.350 0.000 0.000 0.259 3524 T C 2.203 176.897 174.700 -0.011 0.000 1.065 3524 T CA 2.494 64.591 62.100 -0.006 0.000 1.167 3524 T CB -0.908 67.958 68.868 -0.003 0.000 0.863 3524 T HN 0.292 nan 8.240 nan 0.000 0.407 3525 T N 1.918 116.464 114.554 -0.013 0.000 2.720 3525 T HA -0.123 4.227 4.350 0.000 0.000 0.268 3525 T C 2.233 176.917 174.700 -0.025 0.000 1.037 3525 T CA 1.937 64.026 62.100 -0.019 0.000 1.144 3525 T CB -1.106 67.750 68.868 -0.020 0.000 0.864 3525 T HN 0.556 nan 8.240 nan 0.000 0.444 3526 T N 2.022 116.561 114.554 -0.025 0.000 2.652 3526 T HA -0.097 4.253 4.350 0.000 0.000 0.267 3526 T C 2.398 177.076 174.700 -0.037 0.000 1.039 3526 T CA 1.352 63.432 62.100 -0.033 0.000 1.153 3526 T CB -0.631 68.220 68.868 -0.028 0.000 0.863 3526 T HN 0.462 nan 8.240 nan 0.000 0.428 3527 A N 0.770 123.574 122.820 -0.027 0.000 1.933 3527 A HA -0.032 4.288 4.320 0.000 0.000 0.218 3527 A C 2.587 180.154 177.584 -0.028 0.000 1.175 3527 A CA 1.283 53.304 52.037 -0.025 0.000 0.628 3527 A CB -0.929 18.064 19.000 -0.012 0.000 0.814 3527 A HN 0.367 nan 8.150 nan 0.000 0.444 3528 V N -0.532 119.367 119.914 -0.025 0.000 2.358 3528 V HA -0.202 3.919 4.120 0.000 0.000 0.246 3528 V C 2.549 178.621 176.094 -0.036 0.000 1.047 3528 V CA 1.882 64.167 62.300 -0.025 0.000 1.035 3528 V CB -0.646 31.164 31.823 -0.022 0.000 0.658 3528 V HN 0.370 nan 8.190 nan 0.000 0.452 3529 V N -0.340 119.549 119.914 -0.042 0.000 2.358 3529 V HA -0.199 3.921 4.120 0.000 0.000 0.246 3529 V C 2.420 178.473 176.094 -0.068 0.000 1.047 3529 V CA 1.782 64.051 62.300 -0.052 0.000 1.035 3529 V CB -0.294 31.497 31.823 -0.052 0.000 0.658 3529 V HN 0.402 nan 8.190 nan 0.000 0.452 3530 V N 0.361 120.228 119.914 -0.078 0.000 2.295 3530 V HA -0.255 3.865 4.120 0.000 0.000 0.246 3530 V C 2.704 178.733 176.094 -0.107 0.000 1.049 3530 V CA 2.064 64.295 62.300 -0.116 0.000 1.024 3530 V CB -1.111 30.637 31.823 -0.124 0.000 0.648 3530 V HN 0.561 nan 8.190 nan 0.000 0.447 3531 A N 0.407 123.189 122.820 -0.064 0.000 1.933 3531 A HA -0.070 4.250 4.320 0.000 0.000 0.218 3531 A C 2.397 179.965 177.584 -0.026 0.000 1.175 3531 A CA 1.869 53.886 52.037 -0.033 0.000 0.628 3531 A CB -1.127 17.866 19.000 -0.011 0.000 0.814 3531 A HN 0.531 nan 8.150 nan 0.000 0.444 3532 G N -0.470 108.308 108.800 -0.037 0.000 2.421 3532 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 3532 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 3532 G C 1.468 176.348 174.900 -0.034 0.000 1.171 3532 G CA 1.263 46.343 45.100 -0.034 0.000 0.775 3532 G HN 0.570 nan 8.290 nan 0.000 0.543 3533 E N -0.266 119.901 120.200 -0.055 0.000 2.150 3533 E HA -0.014 4.336 4.350 0.000 0.000 0.193 3533 E C 2.344 178.912 176.600 -0.052 0.000 0.985 3533 E CA 0.298 56.661 56.400 -0.062 0.000 0.814 3533 E CB -0.257 29.385 29.700 -0.096 0.000 0.752 3533 E HN 0.243 nan 8.360 nan 0.000 0.466 3534 L N 0.142 121.325 121.223 -0.066 0.000 2.017 3534 L HA -0.119 4.221 4.340 0.000 0.000 0.208 3534 L C 2.178 179.120 176.870 0.119 0.000 1.073 3534 L CA 1.532 56.354 54.840 -0.031 0.000 0.745 3534 L CB -0.650 41.374 42.059 -0.058 0.000 0.894 3534 L HN 0.279 nan 8.230 nan 0.000 0.432 3535 L N -1.627 119.643 121.223 0.077 0.000 2.156 3535 L HA -0.160 4.181 4.340 0.000 0.000 0.208 3535 L C 2.658 179.560 176.870 0.054 0.000 1.095 3535 L CA 0.605 55.491 54.840 0.078 0.000 0.770 3535 L CB -0.363 41.717 42.059 0.035 0.000 0.914 3535 L HN 0.198 nan 8.230 nan 0.000 0.439 3536 R N 0.838 121.355 120.500 0.029 0.000 2.073 3536 R HA -0.171 4.169 4.340 0.000 0.000 0.234 3536 R C 2.161 178.483 176.300 0.036 0.000 1.134 3536 R CA 1.571 57.681 56.100 0.017 0.000 0.952 3536 R CB -0.113 30.185 30.300 -0.004 0.000 0.850 3536 R HN -0.020 nan 8.270 nan 0.000 0.433 3537 K N -0.141 120.293 120.400 0.057 0.000 2.057 3537 K HA 0.081 4.401 4.320 0.000 0.000 0.206 3537 K C 1.865 178.540 176.600 0.125 0.000 1.050 3537 K CA 1.595 57.935 56.287 0.088 0.000 0.935 3537 K CB -0.442 32.120 32.500 0.104 0.000 0.715 3537 K HN 0.299 nan 8.250 nan 0.000 0.439 3538 A N 0.524 123.447 122.820 0.171 0.000 1.933 3538 A HA -0.202 4.118 4.320 0.000 0.000 0.218 3538 A C 2.091 179.700 177.584 0.042 0.000 1.175 3538 A CA 1.798 53.906 52.037 0.119 0.000 0.628 3538 A CB -0.476 18.615 19.000 0.152 0.000 0.814 3538 A HN 0.452 nan 8.150 nan 0.000 0.444 3539 E N -0.334 119.891 120.200 0.041 0.000 2.153 3539 E HA -0.198 4.153 4.350 0.000 0.000 0.194 3539 E C 1.646 178.254 176.600 0.013 0.000 0.988 3539 E CA 1.055 57.465 56.400 0.017 0.000 0.811 3539 E CB -0.016 29.692 29.700 0.013 0.000 0.746 3539 E HN 0.526 nan 8.360 nan 0.000 0.466 3540 E N 0.253 120.466 120.200 0.022 0.000 2.153 3540 E HA -0.160 4.190 4.350 0.000 0.000 0.194 3540 E C 1.986 178.595 176.600 0.014 0.000 0.988 3540 E CA 0.514 56.925 56.400 0.019 0.000 0.811 3540 E CB 0.024 29.739 29.700 0.026 0.000 0.746 3540 E HN 0.327 nan 8.360 nan 0.000 0.466 3541 L N -0.026 121.205 121.223 0.014 0.000 2.095 3541 L HA -0.076 4.264 4.340 0.000 0.000 0.204 3541 L C 2.292 179.156 176.870 -0.011 0.000 1.080 3541 L CA 0.753 55.594 54.840 0.003 0.000 0.759 3541 L CB -0.942 41.114 42.059 -0.006 0.000 0.914 3541 L HN 0.166 nan 8.230 nan 0.000 0.439 3542 L N -0.039 121.173 121.223 -0.018 0.000 2.093 3542 L HA -0.189 4.151 4.340 0.000 0.000 0.208 3542 L C 2.215 179.074 176.870 -0.019 0.000 1.085 3542 L CA 1.564 56.386 54.840 -0.029 0.000 0.755 3542 L CB -0.873 41.168 42.059 -0.031 0.000 0.904 3542 L HN 0.242 nan 8.230 nan 0.000 0.435 3543 D N -1.182 119.213 120.400 -0.008 0.000 2.178 3543 D HA -0.235 4.406 4.640 0.000 0.000 0.202 3543 D C 2.141 178.440 176.300 -0.001 0.000 0.974 3543 D CA 0.690 54.688 54.000 -0.003 0.000 0.841 3543 D CB 0.096 40.897 40.800 0.002 0.000 0.953 3543 D HN 0.342 nan 8.370 nan 0.000 0.478 3544 Q N -0.168 119.632 119.800 0.000 0.000 2.482 3544 Q HA -0.029 4.311 4.340 0.000 0.000 0.209 3544 Q C -0.294 175.707 176.000 0.002 0.000 0.961 3544 Q CA 0.412 56.217 55.803 0.003 0.000 0.945 3544 Q CB 0.072 28.814 28.738 0.007 0.000 1.012 3544 Q HN 0.210 nan 8.270 nan 0.000 0.515 3545 N N -0.534 118.164 118.700 -0.005 0.000 2.815 3545 N HA -0.137 4.603 4.740 0.000 0.000 0.248 3545 N C -1.435 174.076 175.510 0.001 0.000 1.110 3545 N CA 0.725 53.771 53.050 -0.007 0.000 0.699 3545 N CB -1.691 36.796 38.487 -0.000 0.000 1.040 3545 N HN 0.033 nan 8.380 nan 0.000 0.555 3546 V N 1.570 121.483 119.914 -0.002 0.000 2.432 3546 V HA 0.101 4.221 4.120 0.000 0.000 0.275 3546 V C 1.096 177.197 176.094 0.012 0.000 1.043 3546 V CA -0.654 61.655 62.300 0.016 0.000 0.925 3546 V CB 1.412 33.241 31.823 0.009 0.000 0.985 3546 V HN 0.288 nan 8.190 nan 0.000 0.466 3547 H N 7.982 127.038 119.070 -0.024 0.000 3.094 3547 H HA 0.017 4.573 4.556 0.001 0.000 0.320 3547 H C -1.699 173.605 175.328 -0.041 0.000 1.000 3547 H CA -1.096 54.936 56.048 -0.026 0.000 1.413 3547 H CB 1.529 31.278 29.762 -0.022 0.000 1.405 3547 H HN 0.396 nan 8.280 nan 0.000 0.586 3548 P HA -0.169 nan 4.420 nan 0.000 0.217 3548 P C 1.531 178.867 177.300 0.061 0.000 1.148 3548 P CA 1.708 64.762 63.100 -0.077 0.000 0.834 3548 P CB 0.089 31.701 31.700 -0.146 0.000 0.783 3549 T N -1.806 112.940 114.554 0.321 0.000 2.915 3549 T HA -0.063 4.287 4.350 0.000 0.000 0.269 3549 T C 1.585 176.308 174.700 0.038 0.000 1.071 3549 T CA 0.760 62.951 62.100 0.152 0.000 1.132 3549 T CB -0.729 68.191 68.868 0.086 0.000 0.878 3549 T HN -0.027 nan 8.240 nan 0.000 0.479 3550 I N 0.215 120.813 120.570 0.048 0.000 2.286 3550 I HA -0.091 4.079 4.170 0.000 0.000 0.245 3550 I C 2.413 178.481 176.117 -0.082 0.000 1.104 3550 I CA 0.730 62.023 61.300 -0.012 0.000 1.397 3550 I CB -0.233 37.772 38.000 0.009 0.000 1.072 3550 I HN 0.104 nan 8.210 nan 0.000 0.417 3551 V N 0.402 120.233 119.914 -0.138 0.000 2.343 3551 V HA -0.223 3.897 4.120 0.000 0.000 0.247 3551 V C 2.423 178.217 176.094 -0.501 0.000 1.051 3551 V CA 1.496 63.582 62.300 -0.357 0.000 1.036 3551 V CB -0.370 31.242 31.823 -0.352 0.000 0.654 3551 V HN 0.220 nan 8.190 nan 0.000 0.451 3552 V N -0.066 119.695 119.914 -0.254 0.000 2.270 3552 V HA -0.283 3.837 4.120 0.000 0.000 0.245 3552 V C 2.425 178.479 176.094 -0.066 0.000 1.043 3552 V CA 2.416 64.632 62.300 -0.139 0.000 1.014 3552 V CB -0.652 31.142 31.823 -0.048 0.000 0.645 3552 V HN 0.545 nan 8.190 nan 0.000 0.447 3553 K N 0.195 120.562 120.400 -0.055 0.000 2.057 3553 K HA -0.155 4.165 4.320 0.000 0.000 0.207 3553 K C 2.159 178.747 176.600 -0.020 0.000 1.049 3553 K CA 1.665 57.935 56.287 -0.029 0.000 0.931 3553 K CB -0.628 31.856 32.500 -0.027 0.000 0.714 3553 K HN 0.492 nan 8.250 nan 0.000 0.440 3554 G N -0.014 108.768 108.800 -0.029 0.000 2.440 3554 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 3554 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 3554 G C 1.140 176.103 174.900 0.105 0.000 1.154 3554 G CA 0.694 45.812 45.100 0.030 0.000 0.767 3554 G HN 0.270 nan 8.290 nan 0.000 0.552 3555 Y N 0.815 121.041 120.300 -0.124 0.000 2.314 3555 Y HA 0.019 4.569 4.550 0.000 0.000 0.293 3555 Y C 2.995 178.713 175.900 -0.303 0.000 1.129 3555 Y CA 0.593 58.534 58.100 -0.264 0.000 1.201 3555 Y CB -0.670 37.750 38.460 -0.066 0.000 0.999 3555 Y HN 0.335 nan 8.280 nan 0.000 0.541 3556 Q N -0.562 119.242 119.800 0.007 0.000 2.046 3556 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 3556 Q C 2.562 178.514 176.000 -0.081 0.000 0.975 3556 Q CA 1.384 57.167 55.803 -0.034 0.000 0.836 3556 Q CB -0.242 28.490 28.738 -0.010 0.000 0.896 3556 Q HN 0.417 nan 8.270 nan 0.000 0.428 3557 A N 1.085 123.861 122.820 -0.074 0.000 1.873 3557 A HA -0.101 4.219 4.320 0.000 0.000 0.215 3557 A C 2.285 179.805 177.584 -0.106 0.000 1.186 3557 A CA 1.606 53.602 52.037 -0.068 0.000 0.616 3557 A CB -0.839 18.139 19.000 -0.036 0.000 0.823 3557 A HN 0.390 nan 8.150 nan 0.000 0.442 3558 A N -0.219 122.476 122.820 -0.210 0.000 1.898 3558 A HA 0.196 4.517 4.320 0.000 0.000 0.216 3558 A C 2.492 179.827 177.584 -0.414 0.000 1.181 3558 A CA 2.023 53.870 52.037 -0.317 0.000 0.620 3558 A CB -0.979 17.676 19.000 -0.574 0.000 0.819 3558 A HN 1.036 nan 8.150 nan 0.000 0.442 3559 A N -0.967 121.499 122.820 -0.591 0.000 1.933 3559 A HA -0.172 4.149 4.320 0.000 0.000 0.218 3559 A C 2.145 179.684 177.584 -0.074 0.000 1.175 3559 A CA 2.064 53.934 52.037 -0.278 0.000 0.628 3559 A CB -0.476 18.396 19.000 -0.212 0.000 0.814 3559 A HN 0.527 nan 8.150 nan 0.000 0.444 3560 Q N 0.019 119.774 119.800 -0.074 0.000 2.119 3560 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 3560 Q C 1.839 177.846 176.000 0.012 0.000 0.972 3560 Q CA 1.798 57.588 55.803 -0.022 0.000 0.847 3560 Q CB -0.110 28.611 28.738 -0.029 0.000 0.903 3560 Q HN 0.486 nan 8.270 nan 0.000 0.433 3561 K N -0.410 120.007 120.400 0.029 0.000 2.167 3561 K HA 0.093 4.414 4.320 0.000 0.000 0.203 3561 K C 1.908 178.602 176.600 0.156 0.000 1.052 3561 K CA 0.934 57.291 56.287 0.117 0.000 0.956 3561 K CB -0.287 32.340 32.500 0.212 0.000 0.735 3561 K HN 0.277 nan 8.250 nan 0.000 0.451 3562 A N 1.589 124.480 122.820 0.119 0.000 1.898 3562 A HA -0.182 4.138 4.320 0.000 0.000 0.216 3562 A C 2.144 179.786 177.584 0.096 0.000 1.181 3562 A CA 1.264 53.379 52.037 0.131 0.000 0.620 3562 A CB -0.364 18.758 19.000 0.203 0.000 0.819 3562 A HN 0.335 nan 8.150 nan 0.000 0.442 3563 Q N -1.000 118.846 119.800 0.076 0.000 2.119 3563 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 3563 Q C 2.079 178.112 176.000 0.054 0.000 0.972 3563 Q CA 1.375 57.212 55.803 0.057 0.000 0.847 3563 Q CB -0.105 28.659 28.738 0.043 0.000 0.903 3563 Q HN 0.855 nan 8.270 nan 0.000 0.433 3564 E N 0.860 121.097 120.200 0.062 0.000 2.072 3564 E HA -0.176 4.174 4.350 0.000 0.000 0.191 3564 E C 1.915 178.562 176.600 0.077 0.000 0.985 3564 E CA 0.613 57.050 56.400 0.062 0.000 0.801 3564 E CB 0.040 29.777 29.700 0.062 0.000 0.750 3564 E HN 0.304 nan 8.360 nan 0.000 0.452 3565 L N 0.335 121.618 121.223 0.101 0.000 2.083 3565 L HA -0.188 4.152 4.340 0.000 0.000 0.209 3565 L C 2.389 179.296 176.870 0.061 0.000 1.083 3565 L CA 0.312 55.206 54.840 0.090 0.000 0.752 3565 L CB -0.262 41.848 42.059 0.086 0.000 0.899 3565 L HN 0.242 nan 8.230 nan 0.000 0.433 3566 L N -0.117 121.139 121.223 0.056 0.000 2.083 3566 L HA -0.191 4.149 4.340 0.000 0.000 0.209 3566 L C 2.453 179.346 176.870 0.037 0.000 1.083 3566 L CA 1.704 56.570 54.840 0.043 0.000 0.752 3566 L CB -0.731 41.353 42.059 0.041 0.000 0.899 3566 L HN 0.158 nan 8.230 nan 0.000 0.433 3567 K N -1.499 118.924 120.400 0.038 0.000 2.148 3567 K HA -0.083 4.237 4.320 0.000 0.000 0.204 3567 K C 1.918 178.537 176.600 0.032 0.000 1.050 3567 K CA 1.464 57.770 56.287 0.032 0.000 0.942 3567 K CB -0.191 32.327 32.500 0.030 0.000 0.724 3567 K HN 0.307 nan 8.250 nan 0.000 0.446 3568 T N 1.978 116.556 114.554 0.039 0.000 2.777 3568 T HA -0.075 4.275 4.350 0.000 0.000 0.266 3568 T C 1.872 176.592 174.700 0.032 0.000 1.040 3568 T CA 1.266 63.389 62.100 0.039 0.000 1.141 3568 T CB -0.138 68.761 68.868 0.052 0.000 0.868 3568 T HN 0.383 nan 8.240 nan 0.000 0.444 3569 I N -0.304 120.286 120.570 0.034 0.000 3.419 3569 I HA 0.438 4.608 4.170 0.000 0.000 0.286 3569 I C 1.075 177.207 176.117 0.024 0.000 1.268 3569 I CA -0.525 60.792 61.300 0.029 0.000 1.414 3569 I CB -0.474 37.548 38.000 0.036 0.000 1.074 3569 I HN -0.052 nan 8.210 nan 0.000 0.457 3570 A N 1.549 124.384 122.820 0.024 0.000 2.546 3570 A HA 0.135 4.456 4.320 0.000 0.000 0.243 3570 A C 0.099 177.693 177.584 0.016 0.000 1.063 3570 A CA -0.023 52.026 52.037 0.020 0.000 0.757 3570 A CB -0.228 18.784 19.000 0.020 0.000 0.991 3570 A HN 0.638 nan 8.150 nan 0.000 0.503 3571 C N 3.413 122.721 119.300 0.014 0.000 2.273 3571 C HA 0.568 5.029 4.460 0.000 0.000 0.328 3571 C C 0.330 175.326 174.990 0.010 0.000 1.275 3571 C CA -0.616 58.409 59.018 0.011 0.000 1.704 3571 C CB -0.101 27.645 27.740 0.010 0.000 2.326 3571 C HN 0.943 nan 8.230 nan 0.000 0.517 3572 E N 3.614 123.819 120.200 0.009 0.000 2.324 3572 E HA 0.453 4.804 4.350 0.000 0.000 0.271 3572 E C -0.179 176.424 176.600 0.006 0.000 1.028 3572 E CA 0.072 56.476 56.400 0.007 0.000 0.890 3572 E CB 0.764 30.468 29.700 0.007 0.000 1.004 3572 E HN 0.718 nan 8.360 nan 0.000 0.431 3573 V N 1.532 121.449 119.914 0.006 0.000 3.040 3573 V HA 0.857 4.978 4.120 0.000 0.000 0.312 3573 V C 0.501 176.598 176.094 0.004 0.000 1.115 3573 V CA -0.752 61.551 62.300 0.005 0.000 0.998 3573 V CB 1.675 33.501 31.823 0.005 0.000 1.042 3573 V HN 0.681 nan 8.190 nan 0.000 0.433 3574 G N 0.569 109.371 108.800 0.004 0.000 2.365 3574 G HA2 0.478 4.439 3.960 0.000 0.000 0.249 3574 G HA3 0.478 4.439 3.960 0.000 0.000 0.249 3574 G C 0.967 175.869 174.900 0.004 0.000 1.288 3574 G CA 0.111 45.213 45.100 0.003 0.000 0.887 3574 G HN 1.666 nan 8.290 nan 0.000 0.524 3575 A N 2.193 125.015 122.820 0.004 0.000 1.972 3575 A HA -0.043 4.278 4.320 0.000 0.000 0.219 3575 A C 1.912 179.498 177.584 0.004 0.000 1.169 3575 A CA 1.205 53.244 52.037 0.004 0.000 0.635 3575 A CB 0.022 19.025 19.000 0.004 0.000 0.810 3575 A HN 0.519 nan 8.150 nan 0.000 0.446 3576 Q N -0.110 119.692 119.800 0.003 0.000 2.165 3576 Q HA 0.102 4.443 4.340 0.000 0.000 0.245 3576 Q C -0.986 175.016 176.000 0.003 0.000 0.841 3576 Q CA -0.162 55.643 55.803 0.003 0.000 1.078 3576 Q CB 0.148 28.888 28.738 0.003 0.000 1.169 3576 Q HN 0.716 nan 8.270 nan 0.000 0.475 3577 D N 0.873 121.275 120.400 0.003 0.000 2.346 3577 D HA -0.012 4.628 4.640 0.000 0.000 0.260 3577 D C 1.284 177.584 176.300 0.001 0.000 1.252 3577 D CA 0.116 54.117 54.000 0.002 0.000 0.895 3577 D CB 0.911 41.712 40.800 0.002 0.000 1.097 3577 D HN -0.210 nan 8.370 nan 0.000 0.489 3578 K N 3.580 123.981 120.400 0.001 0.000 2.077 3578 K HA -0.292 4.028 4.320 0.000 0.000 0.213 3578 K C 1.558 178.157 176.600 -0.001 0.000 1.051 3578 K CA 2.092 58.380 56.287 0.001 0.000 0.929 3578 K CB -0.130 32.370 32.500 0.000 0.000 0.715 3578 K HN 0.662 nan 8.250 nan 0.000 0.451 3579 E N -0.471 119.728 120.200 -0.001 0.000 2.023 3579 E HA -0.219 4.132 4.350 0.000 0.000 0.196 3579 E C 1.980 178.578 176.600 -0.003 0.000 1.003 3579 E CA 1.674 58.072 56.400 -0.003 0.000 0.809 3579 E CB -0.267 29.431 29.700 -0.003 0.000 0.755 3579 E HN 0.346 nan 8.360 nan 0.000 0.449 3580 I N 0.596 121.165 120.570 -0.001 0.000 2.614 3580 I HA -0.186 3.984 4.170 0.000 0.000 0.258 3580 I C 1.892 178.009 176.117 0.001 0.000 1.189 3580 I CA 0.640 61.940 61.300 0.000 0.000 1.462 3580 I CB -0.056 37.946 38.000 0.002 0.000 1.092 3580 I HN 0.204 nan 8.210 nan 0.000 0.442 3581 L N 0.057 121.281 121.223 0.001 0.000 2.093 3581 L HA -0.158 4.182 4.340 0.000 0.000 0.208 3581 L C 2.665 179.535 176.870 0.001 0.000 1.085 3581 L CA 2.357 57.198 54.840 0.002 0.000 0.755 3581 L CB -1.542 40.519 42.059 0.002 0.000 0.904 3581 L HN 0.480 nan 8.230 nan 0.000 0.435 3582 T N -4.844 109.709 114.554 -0.002 0.000 3.014 3582 T HA -0.075 4.275 4.350 0.000 0.000 0.263 3582 T C 1.900 176.597 174.700 -0.006 0.000 1.078 3582 T CA 0.498 62.596 62.100 -0.004 0.000 1.135 3582 T CB -0.083 68.782 68.868 -0.006 0.000 0.895 3582 T HN 0.184 nan 8.240 nan 0.000 0.480 3583 K N 0.509 120.905 120.400 -0.006 0.000 2.103 3583 K HA 0.129 4.449 4.320 0.000 0.000 0.204 3583 K C 2.116 178.715 176.600 -0.003 0.000 1.052 3583 K CA 0.819 57.102 56.287 -0.008 0.000 0.945 3583 K CB -0.131 32.365 32.500 -0.006 0.000 0.722 3583 K HN 0.258 nan 8.250 nan 0.000 0.443 3584 I N 1.243 121.813 120.570 0.001 0.000 2.202 3584 I HA -0.192 3.978 4.170 0.000 0.000 0.242 3584 I C 2.496 178.617 176.117 0.007 0.000 1.091 3584 I CA 1.149 62.453 61.300 0.006 0.000 1.368 3584 I CB -1.316 36.688 38.000 0.007 0.000 1.058 3584 I HN 0.085 nan 8.210 nan 0.000 0.410 3585 A N 0.953 123.775 122.820 0.004 0.000 1.851 3585 A HA -0.234 4.086 4.320 0.000 0.000 0.216 3585 A C 2.408 179.995 177.584 0.004 0.000 1.195 3585 A CA 1.925 53.965 52.037 0.004 0.000 0.622 3585 A CB -0.674 18.327 19.000 0.002 0.000 0.831 3585 A HN 0.333 nan 8.150 nan 0.000 0.444 3586 M N -0.972 118.627 119.600 -0.002 0.000 2.132 3586 M HA -0.123 4.357 4.480 0.000 0.000 0.263 3586 M C 2.275 178.573 176.300 -0.004 0.000 1.065 3586 M CA 1.916 57.211 55.300 -0.008 0.000 1.122 3586 M CB -0.740 31.847 32.600 -0.021 0.000 1.365 3586 M HN 0.474 nan 8.290 nan 0.000 0.411 3587 T N -0.140 114.413 114.554 -0.000 0.000 2.720 3587 T HA -0.160 4.190 4.350 0.000 0.000 0.268 3587 T C 1.956 176.678 174.700 0.038 0.000 1.037 3587 T CA 1.915 64.025 62.100 0.016 0.000 1.144 3587 T CB -0.317 68.563 68.868 0.019 0.000 0.864 3587 T HN 0.395 nan 8.240 nan 0.000 0.444 3588 S N 0.517 116.233 115.700 0.028 0.000 2.368 3588 S HA -0.038 4.433 4.470 0.000 0.000 0.225 3588 S C 2.035 176.656 174.600 0.035 0.000 1.030 3588 S CA 0.876 59.094 58.200 0.030 0.000 0.999 3588 S CB -0.482 62.730 63.200 0.020 0.000 0.844 3588 S HN 0.471 nan 8.310 nan 0.000 0.459 3589 I N 1.535 122.122 120.570 0.029 0.000 2.315 3589 I HA -0.090 4.081 4.170 0.000 0.000 0.248 3589 I C 1.290 177.436 176.117 0.049 0.000 1.117 3589 I CA 0.881 62.199 61.300 0.030 0.000 1.404 3589 I CB -0.904 37.107 38.000 0.018 0.000 1.071 3589 I HN 0.421 nan 8.210 nan 0.000 0.419 3590 T N -0.465 114.127 114.554 0.063 0.000 2.932 3590 T HA 0.307 4.658 4.350 0.000 0.000 0.312 3590 T C 1.149 175.950 174.700 0.169 0.000 1.071 3590 T CA 0.115 62.287 62.100 0.121 0.000 1.128 3590 T CB 1.238 70.184 68.868 0.130 0.000 0.984 3590 T HN 0.618 nan 8.240 nan 0.000 0.549 3591 G N 1.401 110.323 108.800 0.204 0.000 2.157 3591 G HA2 -0.206 3.755 3.960 0.000 0.000 0.248 3591 G HA3 -0.206 3.755 3.960 0.000 0.000 0.248 3591 G C -0.057 174.881 174.900 0.063 0.000 0.979 3591 G CA 0.380 45.552 45.100 0.120 0.000 0.650 3591 G HN 0.934 nan 8.290 nan 0.000 0.529 3592 K N -0.899 119.541 120.400 0.066 0.000 2.295 3592 K HA 0.611 4.931 4.320 0.000 0.000 0.239 3592 K C 1.560 178.185 176.600 0.042 0.000 0.991 3592 K CA -0.511 55.801 56.287 0.043 0.000 0.845 3592 K CB 1.342 33.864 32.500 0.037 0.000 1.197 3592 K HN 0.156 nan 8.250 nan 0.000 0.441 3593 G N 0.421 109.240 108.800 0.032 0.000 2.432 3593 G HA2 -0.247 3.714 3.960 0.000 0.000 0.219 3593 G HA3 -0.247 3.714 3.960 0.000 0.000 0.219 3593 G C 1.224 176.142 174.900 0.029 0.000 1.135 3593 G CA 1.068 46.186 45.100 0.030 0.000 0.767 3593 G HN 0.614 nan 8.290 nan 0.000 0.550 3594 A N 1.431 124.268 122.820 0.028 0.000 2.216 3594 A HA 0.065 4.385 4.320 0.000 0.000 0.214 3594 A C 2.096 179.693 177.584 0.023 0.000 1.160 3594 A CA 1.554 53.605 52.037 0.024 0.000 0.725 3594 A CB -0.399 18.615 19.000 0.022 0.000 0.784 3594 A HN 0.664 nan 8.150 nan 0.000 0.472 3595 E N 0.021 120.239 120.200 0.029 0.000 2.333 3595 E HA -0.235 4.116 4.350 0.000 0.000 0.198 3595 E C 1.756 178.364 176.600 0.014 0.000 1.007 3595 E CA 1.051 57.467 56.400 0.025 0.000 0.845 3595 E CB -0.212 29.515 29.700 0.045 0.000 0.766 3595 E HN 0.377 nan 8.360 nan 0.000 0.507 3596 K N 1.283 121.693 120.400 0.017 0.000 2.074 3596 K HA -0.127 4.193 4.320 0.000 0.000 0.209 3596 K C 1.179 177.782 176.600 0.005 0.000 1.048 3596 K CA 1.682 57.976 56.287 0.011 0.000 0.926 3596 K CB -0.144 32.365 32.500 0.014 0.000 0.713 3596 K HN 0.262 nan 8.250 nan 0.000 0.444 3597 A N 1.051 123.875 122.820 0.006 0.000 2.676 3597 A HA 0.117 4.437 4.320 0.000 0.000 0.297 3597 A C 1.216 178.801 177.584 0.002 0.000 1.132 3597 A CA -0.265 51.774 52.037 0.003 0.000 0.972 3597 A CB -0.063 18.941 19.000 0.006 0.000 1.197 3597 A HN 0.383 nan 8.150 nan 0.000 0.524 3598 K N 0.028 120.427 120.400 -0.001 0.000 2.281 3598 K HA -0.200 4.120 4.320 0.000 0.000 0.203 3598 K C 0.817 177.413 176.600 -0.006 0.000 1.046 3598 K CA 1.926 58.211 56.287 -0.003 0.000 0.938 3598 K CB -0.099 32.396 32.500 -0.008 0.000 0.737 3598 K HN 0.334 nan 8.250 nan 0.000 0.458 3599 E N 1.442 121.637 120.200 -0.009 0.000 2.072 3599 E HA -0.055 4.295 4.350 0.000 0.000 0.190 3599 E C 1.743 178.341 176.600 -0.004 0.000 0.982 3599 E CA 1.243 57.638 56.400 -0.009 0.000 0.803 3599 E CB 0.060 29.753 29.700 -0.012 0.000 0.755 3599 E HN 0.356 nan 8.360 nan 0.000 0.453 3600 K N -0.035 120.365 120.400 -0.001 0.000 2.103 3600 K HA -0.056 4.264 4.320 0.000 0.000 0.204 3600 K C 1.778 178.380 176.600 0.004 0.000 1.052 3600 K CA 0.619 56.907 56.287 0.002 0.000 0.945 3600 K CB -0.041 32.461 32.500 0.004 0.000 0.722 3600 K HN 0.014 nan 8.250 nan 0.000 0.443 3601 L N 0.890 122.115 121.223 0.004 0.000 2.056 3601 L HA -0.098 4.242 4.340 0.000 0.000 0.207 3601 L C 2.363 179.236 176.870 0.005 0.000 1.078 3601 L CA 1.644 56.487 54.840 0.006 0.000 0.749 3601 L CB -0.935 41.128 42.059 0.007 0.000 0.901 3601 L HN 0.120 nan 8.230 nan 0.000 0.433 3602 A N -0.961 121.861 122.820 0.002 0.000 1.933 3602 A HA -0.226 4.095 4.320 0.000 0.000 0.218 3602 A C 2.300 179.885 177.584 0.002 0.000 1.175 3602 A CA 1.642 53.680 52.037 0.001 0.000 0.628 3602 A CB -0.487 18.512 19.000 -0.002 0.000 0.814 3602 A HN 0.389 nan 8.150 nan 0.000 0.444 3603 E N 0.307 120.508 120.200 0.001 0.000 2.077 3603 E HA -0.144 4.206 4.350 0.000 0.000 0.193 3603 E C 1.695 178.298 176.600 0.005 0.000 0.989 3603 E CA 1.486 57.888 56.400 0.002 0.000 0.800 3603 E CB -0.366 29.335 29.700 0.002 0.000 0.746 3603 E HN 0.647 nan 8.360 nan 0.000 0.452 3604 I N -0.309 120.264 120.570 0.006 0.000 2.179 3604 I HA -0.232 3.938 4.170 0.000 0.000 0.242 3604 I C 1.924 178.045 176.117 0.007 0.000 1.088 3604 I CA 0.701 62.006 61.300 0.008 0.000 1.357 3604 I CB -0.149 37.857 38.000 0.010 0.000 1.051 3604 I HN 0.158 nan 8.210 nan 0.000 0.409 3605 I N -0.305 120.269 120.570 0.006 0.000 2.353 3605 I HA -0.176 3.994 4.170 0.000 0.000 0.248 3605 I C 2.294 178.414 176.117 0.005 0.000 1.119 3605 I CA 1.152 62.455 61.300 0.005 0.000 1.417 3605 I CB -0.271 37.732 38.000 0.005 0.000 1.078 3605 I HN -0.059 nan 8.210 nan 0.000 0.421 3606 V N 0.151 120.068 119.914 0.005 0.000 2.379 3606 V HA -0.185 3.935 4.120 0.000 0.000 0.245 3606 V C 2.439 178.536 176.094 0.005 0.000 1.044 3606 V CA 1.489 63.792 62.300 0.004 0.000 1.036 3606 V CB -0.564 31.261 31.823 0.003 0.000 0.664 3606 V HN 0.359 nan 8.190 nan 0.000 0.453 3607 E N 0.374 120.578 120.200 0.006 0.000 2.106 3607 E HA -0.118 4.232 4.350 0.000 0.000 0.192 3607 E C 2.348 178.953 176.600 0.008 0.000 0.984 3607 E CA 1.387 57.792 56.400 0.007 0.000 0.806 3607 E CB -0.476 29.229 29.700 0.008 0.000 0.750 3607 E HN 0.553 nan 8.360 nan 0.000 0.458 3608 A N 1.004 123.828 122.820 0.008 0.000 1.902 3608 A HA -0.134 4.186 4.320 0.000 0.000 0.217 3608 A C 2.613 180.201 177.584 0.006 0.000 1.181 3608 A CA 1.477 53.518 52.037 0.007 0.000 0.623 3608 A CB -0.658 18.345 19.000 0.006 0.000 0.818 3608 A HN 0.131 nan 8.150 nan 0.000 0.443 3609 V N -0.270 119.647 119.914 0.005 0.000 2.270 3609 V HA -0.202 3.918 4.120 0.000 0.000 0.245 3609 V C 2.772 178.869 176.094 0.006 0.000 1.043 3609 V CA 2.293 64.596 62.300 0.005 0.000 1.014 3609 V CB -0.870 30.956 31.823 0.004 0.000 0.645 3609 V HN 0.547 nan 8.190 nan 0.000 0.447 3610 S N 0.212 115.916 115.700 0.007 0.000 2.400 3610 S HA -0.203 4.267 4.470 0.000 0.000 0.232 3610 S C 2.170 176.776 174.600 0.010 0.000 1.025 3610 S CA 1.446 59.651 58.200 0.007 0.000 0.993 3610 S CB -0.480 62.725 63.200 0.008 0.000 0.808 3610 S HN 0.656 nan 8.310 nan 0.000 0.478 3611 A N 0.980 123.807 122.820 0.011 0.000 1.898 3611 A HA -0.033 4.287 4.320 0.000 0.000 0.216 3611 A C 2.330 179.923 177.584 0.015 0.000 1.181 3611 A CA 1.738 53.784 52.037 0.016 0.000 0.620 3611 A CB -0.610 18.400 19.000 0.016 0.000 0.819 3611 A HN 0.587 nan 8.150 nan 0.000 0.442 3612 V N -3.818 116.102 119.914 0.010 0.000 3.565 3612 V HA 0.113 4.234 4.120 0.000 0.000 0.260 3612 V C 1.956 178.053 176.094 0.004 0.000 1.231 3612 V CA 1.033 63.337 62.300 0.007 0.000 1.100 3612 V CB -0.238 31.588 31.823 0.003 0.000 0.807 3612 V HN 0.161 nan 8.190 nan 0.000 0.454 3613 V N 0.831 120.747 119.914 0.004 0.000 2.626 3613 V HA -0.092 4.029 4.120 0.000 0.000 0.252 3613 V C 1.572 177.667 176.094 0.002 0.000 1.067 3613 V CA 2.477 64.779 62.300 0.003 0.000 1.081 3613 V CB -0.537 31.288 31.823 0.003 0.000 0.686 3613 V HN 0.853 nan 8.190 nan 0.000 0.468 3614 D N -0.726 119.675 120.400 0.003 0.000 4.438 3614 D HA -0.217 4.423 4.640 0.000 0.000 0.158 3614 D C 0.592 176.892 176.300 -0.001 0.000 0.686 3614 D CA 1.920 55.920 54.000 0.000 0.000 1.183 3614 D CB -1.257 39.541 40.800 -0.003 0.000 0.623 3614 D HN 0.574 nan 8.370 nan 0.000 0.521 3615 D N 1.338 121.736 120.400 -0.003 0.000 2.398 3615 D HA 0.221 4.861 4.640 0.000 0.000 0.247 3615 D C -0.152 176.147 176.300 -0.001 0.000 1.227 3615 D CA 0.131 54.129 54.000 -0.003 0.000 0.980 3615 D CB 0.517 41.315 40.800 -0.004 0.000 1.106 3615 D HN 0.287 nan 8.370 nan 0.000 0.493 3616 E N 0.144 120.344 120.200 -0.001 0.000 2.136 3616 E HA 0.502 4.853 4.350 0.000 0.000 0.246 3616 E C -0.815 175.785 176.600 0.001 0.000 1.017 3616 E CA -0.532 55.869 56.400 0.001 0.000 0.883 3616 E CB -0.457 29.244 29.700 0.001 0.000 1.199 3616 E HN 0.496 nan 8.360 nan 0.000 0.447 3617 G N 2.763 111.564 108.800 0.001 0.000 2.384 3617 G HA2 0.169 4.129 3.960 0.000 0.000 0.300 3617 G HA3 0.169 4.129 3.960 0.000 0.000 0.300 3617 G C -1.857 173.043 174.900 0.001 0.000 1.582 3617 G CA -0.800 44.301 45.100 0.001 0.000 0.875 3617 G HN 0.150 nan 8.290 nan 0.000 0.628 3618 K N 0.901 121.302 120.400 0.000 0.000 2.588 3618 K HA 0.575 4.895 4.320 0.000 0.000 0.250 3618 K C -1.579 175.021 176.600 0.000 0.000 0.972 3618 K CA -0.632 55.655 56.287 0.000 0.000 0.821 3618 K CB 2.120 34.620 32.500 -0.000 0.000 1.249 3618 K HN 0.940 nan 8.250 nan 0.000 0.442 3619 V N 3.246 123.160 119.914 0.000 0.000 2.483 3619 V HA 0.418 4.538 4.120 0.000 0.000 0.295 3619 V C -1.001 175.092 176.094 -0.001 0.000 1.035 3619 V CA -0.499 61.801 62.300 0.000 0.000 0.896 3619 V CB 1.588 33.411 31.823 0.001 0.000 0.986 3619 V HN 0.781 nan 8.190 nan 0.000 0.447 3620 D N 4.671 125.070 120.400 -0.002 0.000 2.329 3620 D HA 0.321 4.961 4.640 0.000 0.000 0.232 3620 D C 0.862 177.159 176.300 -0.005 0.000 1.088 3620 D CA -0.251 53.746 54.000 -0.004 0.000 0.835 3620 D CB 1.829 42.625 40.800 -0.006 0.000 1.078 3620 D HN 0.594 nan 8.370 nan 0.000 0.495 3621 K N 2.232 122.629 120.400 -0.005 0.000 2.281 3621 K HA -0.167 4.154 4.320 0.000 0.000 0.203 3621 K C 0.890 177.484 176.600 -0.010 0.000 1.046 3621 K CA 0.916 57.199 56.287 -0.006 0.000 0.938 3621 K CB 0.206 32.703 32.500 -0.005 0.000 0.737 3621 K HN 0.394 nan 8.250 nan 0.000 0.458 3622 D N 0.716 121.109 120.400 -0.012 0.000 2.269 3622 D HA -0.071 4.569 4.640 0.000 0.000 0.208 3622 D C 1.327 177.615 176.300 -0.020 0.000 0.963 3622 D CA 0.659 54.648 54.000 -0.017 0.000 0.864 3622 D CB 0.176 40.965 40.800 -0.018 0.000 0.936 3622 D HN 0.103 nan 8.370 nan 0.000 0.505 3623 L N -0.152 121.062 121.223 -0.015 0.000 2.558 3623 L HA 0.185 4.526 4.340 0.000 0.000 0.225 3623 L C 0.313 177.175 176.870 -0.013 0.000 1.128 3623 L CA 0.215 55.046 54.840 -0.014 0.000 0.868 3623 L CB 0.219 42.273 42.059 -0.009 0.000 1.006 3623 L HN 0.021 nan 8.230 nan 0.000 0.454 3624 I N 0.552 121.115 120.570 -0.012 0.000 2.502 3624 I HA 0.176 4.346 4.170 0.000 0.000 0.276 3624 I C 0.076 176.184 176.117 -0.015 0.000 1.057 3624 I CA -0.412 60.881 61.300 -0.010 0.000 1.163 3624 I CB 1.002 38.999 38.000 -0.005 0.000 1.288 3624 I HN -0.085 nan 8.210 nan 0.000 0.479 3625 K N 6.204 126.591 120.400 -0.022 0.000 2.368 3625 K HA 0.292 4.612 4.320 0.000 0.000 0.282 3625 K C -0.399 176.186 176.600 -0.024 0.000 1.035 3625 K CA -0.362 55.907 56.287 -0.029 0.000 0.973 3625 K CB 0.969 33.442 32.500 -0.045 0.000 0.957 3625 K HN 0.440 nan 8.250 nan 0.000 0.474 3626 I N 4.265 124.822 120.570 -0.022 0.000 2.287 3626 I HA 0.145 4.316 4.170 0.000 0.000 0.290 3626 I C 0.240 176.343 176.117 -0.023 0.000 1.069 3626 I CA -0.567 60.723 61.300 -0.017 0.000 1.237 3626 I CB 0.503 38.496 38.000 -0.011 0.000 1.418 3626 I HN 0.506 nan 8.210 nan 0.000 0.481 3627 E N 7.300 127.485 120.200 -0.024 0.000 2.183 3627 E HA 0.560 4.910 4.350 0.000 0.000 0.271 3627 E C -0.898 175.692 176.600 -0.017 0.000 0.919 3627 E CA -0.713 55.669 56.400 -0.031 0.000 0.781 3627 E CB 1.394 31.063 29.700 -0.051 0.000 1.140 3627 E HN 0.550 nan 8.360 nan 0.000 0.402 3628 K N 2.243 122.633 120.400 -0.017 0.000 2.427 3628 K HA 0.686 5.006 4.320 0.000 0.000 0.252 3628 K C -1.194 175.400 176.600 -0.010 0.000 0.931 3628 K CA -1.170 55.112 56.287 -0.009 0.000 0.793 3628 K CB 1.906 34.399 32.500 -0.011 0.000 1.211 3628 K HN 0.216 nan 8.250 nan 0.000 0.426 3629 K N 1.448 121.847 120.400 -0.002 0.000 2.581 3629 K HA 0.188 4.509 4.320 0.000 0.000 0.249 3629 K C -1.224 175.378 176.600 0.003 0.000 0.966 3629 K CA -0.366 55.921 56.287 0.001 0.000 0.811 3629 K CB 2.255 34.764 32.500 0.014 0.000 1.223 3629 K HN 0.696 nan 8.250 nan 0.000 0.438 3630 S N 2.571 118.268 115.700 -0.006 0.000 2.560 3630 S HA 0.594 5.065 4.470 0.000 0.000 0.284 3630 S C 0.016 174.619 174.600 0.005 0.000 1.327 3630 S CA 1.238 59.435 58.200 -0.005 0.000 1.055 3630 S CB -0.128 63.062 63.200 -0.015 0.000 0.868 3630 S HN 1.044 nan 8.310 nan 0.000 0.506 3631 G N 1.967 110.772 108.800 0.008 0.000 2.348 3631 G HA2 0.532 4.492 3.960 0.000 0.000 0.606 3631 G HA3 0.532 4.492 3.960 0.000 0.000 0.606 3631 G C -0.180 174.728 174.900 0.014 0.000 1.466 3631 G CA -0.032 45.075 45.100 0.012 0.000 0.950 3631 G HN 2.070 nan 8.290 nan 0.000 0.657 3632 A N -0.614 122.214 122.820 0.013 0.000 6.088 3632 A HA 0.419 4.739 4.320 0.000 0.000 0.261 3632 A C 1.267 178.858 177.584 0.013 0.000 2.138 3632 A CA 1.982 54.027 52.037 0.012 0.000 0.708 3632 A CB -1.808 17.200 19.000 0.014 0.000 1.068 3632 A HN 2.916 nan 8.150 nan 0.000 0.364 3633 S N -1.658 114.050 115.700 0.013 0.000 2.759 3633 S HA 0.733 5.203 4.470 0.000 0.000 0.310 3633 S C 1.057 175.665 174.600 0.014 0.000 1.123 3633 S CA 0.084 58.292 58.200 0.013 0.000 0.959 3633 S CB 1.316 64.523 63.200 0.011 0.000 1.172 3633 S HN 1.919 nan 8.310 nan 0.000 0.539 3634 I N 0.516 121.095 120.570 0.014 0.000 2.567 3634 I HA -0.137 4.033 4.170 0.000 0.000 0.257 3634 I C 1.069 177.194 176.117 0.012 0.000 1.184 3634 I CA 1.440 62.749 61.300 0.014 0.000 1.451 3634 I CB -0.232 37.777 38.000 0.015 0.000 1.089 3634 I HN 0.634 nan 8.210 nan 0.000 0.441 3635 D N 0.853 121.260 120.400 0.011 0.000 2.219 3635 D HA -0.159 4.481 4.640 0.000 0.000 0.205 3635 D C 1.269 177.575 176.300 0.010 0.000 0.970 3635 D CA 1.220 55.225 54.000 0.009 0.000 0.851 3635 D CB -0.177 40.627 40.800 0.007 0.000 0.943 3635 D HN 0.517 nan 8.370 nan 0.000 0.488 3636 D N -0.185 120.223 120.400 0.012 0.000 2.363 3636 D HA -0.027 4.613 4.640 0.000 0.000 0.220 3636 D C 0.252 176.563 176.300 0.019 0.000 0.994 3636 D CA 0.403 54.412 54.000 0.014 0.000 0.890 3636 D CB 0.075 40.884 40.800 0.015 0.000 0.906 3636 D HN -0.055 nan 8.370 nan 0.000 0.530 3637 T N 1.799 116.364 114.554 0.019 0.000 2.908 3637 T HA 0.131 4.481 4.350 0.000 0.000 0.301 3637 T C 0.214 174.927 174.700 0.022 0.000 1.019 3637 T CA 0.260 62.373 62.100 0.021 0.000 1.152 3637 T CB 0.308 69.186 68.868 0.017 0.000 0.966 3637 T HN 0.295 nan 8.240 nan 0.000 0.540 3638 E N 1.868 122.086 120.200 0.029 0.000 2.412 3638 E HA 0.582 4.933 4.350 0.000 0.000 0.279 3638 E C -1.621 175.001 176.600 0.036 0.000 0.984 3638 E CA -1.157 55.261 56.400 0.030 0.000 0.788 3638 E CB 1.169 30.889 29.700 0.033 0.000 1.277 3638 E HN 0.308 nan 8.360 nan 0.000 0.455 3639 L N 1.783 123.026 121.223 0.032 0.000 2.307 3639 L HA 0.514 4.855 4.340 0.000 0.000 0.282 3639 L C -1.123 175.774 176.870 0.045 0.000 1.051 3639 L CA -0.440 54.419 54.840 0.032 0.000 0.804 3639 L CB 1.069 43.141 42.059 0.022 0.000 1.197 3639 L HN 0.598 nan 8.230 nan 0.000 0.431 3640 I N 5.507 126.108 120.570 0.052 0.000 2.382 3640 I HA 0.261 4.431 4.170 0.000 0.000 0.285 3640 I C 0.030 176.178 176.117 0.052 0.000 1.007 3640 I CA -0.695 60.650 61.300 0.076 0.000 1.142 3640 I CB 1.148 39.221 38.000 0.122 0.000 1.289 3640 I HN 0.595 nan 8.210 nan 0.000 0.453 3641 K N 5.876 126.304 120.400 0.046 0.000 2.199 3641 K HA 0.548 4.869 4.320 0.000 0.000 0.226 3641 K C 0.187 176.808 176.600 0.036 0.000 1.237 3641 K CA -0.124 56.182 56.287 0.032 0.000 1.170 3641 K CB -0.081 32.432 32.500 0.022 0.000 1.418 3641 K HN 0.854 nan 8.250 nan 0.000 0.255 3642 G N 0.077 108.896 108.800 0.031 0.000 2.368 3642 G HA2 0.142 4.102 3.960 0.000 0.000 0.269 3642 G HA3 0.142 4.102 3.960 0.000 0.000 0.269 3642 G C -1.714 173.186 174.900 0.000 0.000 1.291 3642 G CA -0.708 44.406 45.100 0.023 0.000 0.903 3642 G HN 0.145 nan 8.290 nan 0.000 0.483 3643 V N 0.628 120.530 119.914 -0.020 0.000 2.540 3643 V HA 0.673 4.794 4.120 0.000 0.000 0.302 3643 V C -0.640 175.378 176.094 -0.126 0.000 1.035 3643 V CA -0.654 61.601 62.300 -0.074 0.000 0.873 3643 V CB 1.455 33.219 31.823 -0.098 0.000 0.992 3643 V HN 0.885 nan 8.190 nan 0.000 0.428 3644 L N 6.752 127.855 121.223 -0.200 0.000 2.265 3644 L HA 0.672 5.013 4.340 0.000 0.000 0.289 3644 L C -0.454 176.260 176.870 -0.260 0.000 1.033 3644 L CA 0.152 54.765 54.840 -0.379 0.000 0.814 3644 L CB 1.492 43.230 42.059 -0.535 0.000 1.203 3644 L HN 0.445 nan 8.230 nan 0.000 0.423 3645 V N 4.489 124.271 119.914 -0.220 0.000 2.472 3645 V HA 0.313 4.433 4.120 0.000 0.000 0.290 3645 V C -0.218 175.822 176.094 -0.090 0.000 1.037 3645 V CA -0.626 61.603 62.300 -0.118 0.000 0.908 3645 V CB 1.607 33.406 31.823 -0.040 0.000 0.985 3645 V HN 0.830 nan 8.190 nan 0.000 0.454 3646 D N 3.599 123.962 120.400 -0.062 0.000 3.085 3646 D HA 0.192 4.832 4.640 0.000 0.000 0.243 3646 D C 0.057 176.356 176.300 -0.002 0.000 1.232 3646 D CA -0.276 53.699 54.000 -0.042 0.000 0.913 3646 D CB 0.115 40.890 40.800 -0.041 0.000 1.108 3646 D HN 0.244 nan 8.370 nan 0.000 0.468 3647 K N 0.518 120.932 120.400 0.023 0.000 2.439 3647 K HA 0.423 4.744 4.320 0.000 0.000 0.260 3647 K C 0.345 176.971 176.600 0.043 0.000 1.032 3647 K CA -0.646 55.668 56.287 0.045 0.000 0.882 3647 K CB 2.360 34.913 32.500 0.089 0.000 1.420 3647 K HN 0.331 nan 8.250 nan 0.000 0.455 3648 E N 0.644 120.861 120.200 0.029 0.000 2.393 3648 E HA 0.402 4.752 4.350 0.000 0.000 0.265 3648 E C -0.681 175.913 176.600 -0.009 0.000 0.941 3648 E CA -0.909 55.501 56.400 0.017 0.000 0.801 3648 E CB 1.157 30.865 29.700 0.013 0.000 1.313 3648 E HN 0.209 nan 8.360 nan 0.000 0.435 3649 R N 1.026 121.514 120.500 -0.019 0.000 2.351 3649 R HA 0.103 4.443 4.340 0.000 0.000 0.318 3649 R C 1.046 177.316 176.300 -0.049 0.000 1.055 3649 R CA -0.104 55.968 56.100 -0.047 0.000 0.968 3649 R CB 0.529 30.803 30.300 -0.044 0.000 0.974 3649 R HN 0.516 nan 8.270 nan 0.000 0.439 3650 V N 1.983 121.860 119.914 -0.061 0.000 2.688 3650 V HA -0.155 3.966 4.120 0.000 0.000 0.256 3650 V C 0.775 176.827 176.094 -0.069 0.000 1.084 3650 V CA 1.916 64.183 62.300 -0.054 0.000 1.103 3650 V CB 0.052 31.843 31.823 -0.055 0.000 0.688 3650 V HN 0.726 nan 8.190 nan 0.000 0.480 3651 S N -2.121 113.526 115.700 -0.088 0.000 2.526 3651 S HA 0.667 5.137 4.470 0.000 0.000 0.293 3651 S C 0.790 175.334 174.600 -0.094 0.000 1.092 3651 S CA -0.168 57.961 58.200 -0.118 0.000 0.980 3651 S CB 1.856 64.944 63.200 -0.188 0.000 1.048 3651 S HN 0.481 nan 8.310 nan 0.000 0.483 3652 A N 2.859 125.626 122.820 -0.088 0.000 2.070 3652 A HA -0.056 4.264 4.320 0.000 0.000 0.220 3652 A C 1.864 179.409 177.584 -0.066 0.000 1.159 3652 A CA 1.613 53.612 52.037 -0.063 0.000 0.656 3652 A CB -0.587 18.383 19.000 -0.050 0.000 0.800 3652 A HN 0.889 nan 8.150 nan 0.000 0.453 3653 Q N -1.111 118.632 119.800 -0.095 0.000 2.424 3653 Q HA 0.176 4.516 4.340 0.000 0.000 0.204 3653 Q C 0.397 176.356 176.000 -0.068 0.000 0.933 3653 Q CA -0.138 55.615 55.803 -0.082 0.000 0.929 3653 Q CB -0.066 28.606 28.738 -0.110 0.000 1.037 3653 Q HN 0.670 nan 8.270 nan 0.000 0.511 3654 M N 2.102 121.657 119.600 -0.074 0.000 2.242 3654 M HA 0.259 4.739 4.480 0.000 0.000 0.344 3654 M C -2.049 174.226 176.300 -0.042 0.000 1.140 3654 M CA -1.946 53.318 55.300 -0.059 0.000 1.160 3654 M CB 0.586 33.144 32.600 -0.069 0.000 1.491 3654 M HN -0.062 nan 8.290 nan 0.000 0.459 3655 P HA 0.013 nan 4.420 nan 0.000 0.266 3655 P C -0.520 176.765 177.300 -0.024 0.000 1.193 3655 P CA 0.289 63.375 63.100 -0.024 0.000 0.770 3655 P CB 0.471 32.160 31.700 -0.019 0.000 0.836 3656 K N 0.792 121.183 120.400 -0.015 0.000 2.367 3656 K HA 0.104 4.424 4.320 0.000 0.000 0.194 3656 K C 0.518 177.119 176.600 0.002 0.000 1.027 3656 K CA 0.358 56.641 56.287 -0.007 0.000 1.075 3656 K CB 0.366 32.862 32.500 -0.006 0.000 0.845 3656 K HN 0.311 nan 8.250 nan 0.000 0.529 3657 K N 1.192 121.591 120.400 -0.001 0.000 2.581 3657 K HA 0.267 4.588 4.320 0.000 0.000 0.249 3657 K C -1.817 174.785 176.600 0.003 0.000 0.966 3657 K CA -0.467 55.823 56.287 0.004 0.000 0.811 3657 K CB 1.985 34.484 32.500 -0.001 0.000 1.223 3657 K HN -0.239 nan 8.250 nan 0.000 0.438 3658 V N 3.122 123.042 119.914 0.010 0.000 2.531 3658 V HA 0.430 4.550 4.120 0.000 0.000 0.301 3658 V C -0.216 175.888 176.094 0.017 0.000 1.034 3658 V CA -0.716 61.589 62.300 0.009 0.000 0.865 3658 V CB 1.748 33.574 31.823 0.005 0.000 0.995 3658 V HN 0.944 nan 8.190 nan 0.000 0.424 3659 T N -0.120 114.441 114.554 0.012 0.000 2.925 3659 T HA 0.589 4.939 4.350 0.000 0.000 0.285 3659 T C 0.001 174.710 174.700 0.014 0.000 1.021 3659 T CA -0.318 61.790 62.100 0.013 0.000 1.042 3659 T CB 1.422 70.294 68.868 0.007 0.000 1.037 3659 T HN 0.763 nan 8.240 nan 0.000 0.481 3660 D N 0.179 120.588 120.400 0.016 0.000 2.699 3660 D HA -0.137 4.503 4.640 0.000 0.000 0.239 3660 D C 0.226 176.539 176.300 0.022 0.000 1.136 3660 D CA 0.865 54.874 54.000 0.016 0.000 0.668 3660 D CB -1.246 39.560 40.800 0.011 0.000 1.060 3660 D HN 1.096 nan 8.370 nan 0.000 0.429 3661 A N 1.480 124.318 122.820 0.030 0.000 2.425 3661 A HA 0.454 4.774 4.320 0.000 0.000 0.249 3661 A C 0.465 178.075 177.584 0.043 0.000 1.084 3661 A CA -0.024 52.036 52.037 0.038 0.000 0.781 3661 A CB 0.674 19.707 19.000 0.055 0.000 1.019 3661 A HN 0.145 nan 8.150 nan 0.000 0.490 3662 K N 2.776 123.200 120.400 0.040 0.000 2.404 3662 K HA 0.377 4.697 4.320 0.000 0.000 0.257 3662 K C -1.221 175.415 176.600 0.060 0.000 1.026 3662 K CA -0.254 56.059 56.287 0.044 0.000 0.951 3662 K CB 1.035 33.553 32.500 0.030 0.000 1.203 3662 K HN 0.542 nan 8.250 nan 0.000 0.446 3663 I N 2.204 122.827 120.570 0.088 0.000 2.371 3663 I HA 0.181 4.351 4.170 0.000 0.000 0.290 3663 I C 0.395 176.586 176.117 0.123 0.000 1.028 3663 I CA -0.092 61.295 61.300 0.146 0.000 1.345 3663 I CB 1.318 39.437 38.000 0.199 0.000 1.407 3663 I HN 0.504 nan 8.210 nan 0.000 0.501 3664 A N 7.581 130.481 122.820 0.134 0.000 2.330 3664 A HA 0.854 5.174 4.320 0.000 0.000 0.327 3664 A C -0.786 176.891 177.584 0.155 0.000 1.155 3664 A CA -0.564 51.536 52.037 0.105 0.000 0.803 3664 A CB 0.677 19.715 19.000 0.062 0.000 1.208 3664 A HN 0.653 nan 8.150 nan 0.000 0.477 3665 L N 3.476 124.765 121.223 0.110 0.000 2.345 3665 L HA 0.469 4.809 4.340 0.000 0.000 0.274 3665 L C -1.033 175.878 176.870 0.069 0.000 0.999 3665 L CA -0.052 54.851 54.840 0.104 0.000 0.849 3665 L CB 0.929 43.025 42.059 0.061 0.000 1.220 3665 L HN 0.569 nan 8.230 nan 0.000 0.422 3666 L N 2.878 124.145 121.223 0.074 0.000 2.365 3666 L HA 0.420 4.761 4.340 0.000 0.000 0.273 3666 L C 0.358 177.257 176.870 0.048 0.000 1.000 3666 L CA -0.538 54.332 54.840 0.050 0.000 0.819 3666 L CB 2.083 44.169 42.059 0.044 0.000 1.284 3666 L HN 0.580 nan 8.230 nan 0.000 0.418 3667 N N -0.241 118.480 118.700 0.034 0.000 2.205 3667 N HA 0.020 4.760 4.740 0.000 0.000 0.201 3667 N C 0.097 175.622 175.510 0.025 0.000 1.128 3667 N CA -0.309 52.758 53.050 0.029 0.000 0.867 3667 N CB 0.281 38.781 38.487 0.022 0.000 0.996 3667 N HN 0.407 nan 8.380 nan 0.000 0.503 3668 C N 1.659 120.973 119.300 0.024 0.000 2.499 3668 C HA 0.763 5.223 4.460 0.000 0.000 0.386 3668 C C 0.968 175.972 174.990 0.023 0.000 1.293 3668 C CA -0.962 58.069 59.018 0.021 0.000 1.884 3668 C CB -1.351 26.401 27.740 0.019 0.000 2.509 3668 C HN 0.564 nan 8.230 nan 0.000 0.566 3669 A N 6.342 129.174 122.820 0.021 0.000 2.540 3669 A HA 0.360 4.681 4.320 0.000 0.000 0.239 3669 A C 0.174 177.772 177.584 0.023 0.000 1.061 3669 A CA 0.135 52.185 52.037 0.022 0.000 0.758 3669 A CB -0.035 18.976 19.000 0.019 0.000 0.991 3669 A HN 0.894 nan 8.150 nan 0.000 0.502 3670 I N 2.365 122.951 120.570 0.025 0.000 2.257 3670 I HA 0.231 4.402 4.170 0.000 0.000 0.290 3670 I C 0.322 176.460 176.117 0.034 0.000 1.137 3670 I CA 0.469 61.786 61.300 0.029 0.000 1.255 3670 I CB -0.174 37.845 38.000 0.031 0.000 1.485 3670 I HN 0.784 nan 8.210 nan 0.000 0.534 3671 E N 5.074 125.292 120.200 0.030 0.000 2.317 3671 E HA 0.325 4.676 4.350 0.000 0.000 0.270 3671 E C -1.277 175.339 176.600 0.027 0.000 0.899 3671 E CA -0.512 55.907 56.400 0.031 0.000 0.814 3671 E CB 1.426 31.141 29.700 0.026 0.000 1.296 3671 E HN 0.261 nan 8.360 nan 0.000 0.404 3672 E N 2.724 122.943 120.200 0.032 0.000 2.256 3672 E HA 0.250 4.600 4.350 0.000 0.000 0.268 3672 E C -0.843 175.774 176.600 0.027 0.000 0.877 3672 E CA -0.766 55.650 56.400 0.025 0.000 0.757 3672 E CB 2.148 31.862 29.700 0.023 0.000 1.183 3672 E HN 0.459 nan 8.360 nan 0.000 0.418 3673 T N 1.559 116.125 114.554 0.020 0.000 2.934 3673 T HA 0.327 4.677 4.350 0.000 0.000 0.306 3673 T C 0.189 174.901 174.700 0.021 0.000 1.042 3673 T CA 0.836 62.947 62.100 0.018 0.000 1.145 3673 T CB 0.208 69.083 68.868 0.013 0.000 0.982 3673 T HN 0.720 nan 8.240 nan 0.000 0.544 3674 A N 2.550 125.385 122.820 0.024 0.000 2.435 3674 A HA -0.089 4.231 4.320 0.000 0.000 0.686 3674 A C 1.587 179.198 177.584 0.046 0.000 0.138 3674 A CA 0.268 52.321 52.037 0.027 0.000 0.024 3674 A CB -1.523 17.488 19.000 0.018 0.000 3.974 3674 A HN 0.942 nan 8.150 nan 0.000 0.548 3675 S N 0.115 115.854 115.700 0.064 0.000 2.383 3675 S HA -0.130 4.340 4.470 0.000 0.000 0.227 3675 S C 1.635 176.285 174.600 0.083 0.000 1.026 3675 S CA 2.047 60.326 58.200 0.131 0.000 0.981 3675 S CB -0.176 63.123 63.200 0.165 0.000 0.818 3675 S HN 1.044 nan 8.310 nan 0.000 0.472 3676 E N 0.738 120.952 120.200 0.024 0.000 2.106 3676 E HA -0.036 4.314 4.350 0.000 0.000 0.192 3676 E C 1.954 178.527 176.600 -0.046 0.000 0.984 3676 E CA 1.261 57.640 56.400 -0.034 0.000 0.806 3676 E CB -0.177 29.511 29.700 -0.020 0.000 0.750 3676 E HN 0.401 nan 8.360 nan 0.000 0.458 3677 M N -0.353 119.239 119.600 -0.014 0.000 2.200 3677 M HA -0.015 4.466 4.480 0.000 0.000 0.265 3677 M C 2.055 178.348 176.300 -0.010 0.000 1.066 3677 M CA 0.788 56.080 55.300 -0.012 0.000 1.127 3677 M CB -0.743 31.857 32.600 0.001 0.000 1.379 3677 M HN 0.237 nan 8.290 nan 0.000 0.420 3678 L N 0.623 121.853 121.223 0.012 0.000 2.179 3678 L HA -0.068 4.272 4.340 0.000 0.000 0.208 3678 L C 2.317 179.189 176.870 0.003 0.000 1.096 3678 L CA 1.753 56.615 54.840 0.036 0.000 0.779 3678 L CB -0.730 41.383 42.059 0.090 0.000 0.922 3678 L HN 0.222 nan 8.230 nan 0.000 0.443 3679 K N -0.645 119.695 120.400 -0.100 0.000 2.147 3679 K HA -0.246 4.074 4.320 0.000 0.000 0.205 3679 K C 1.803 178.279 176.600 -0.207 0.000 1.049 3679 K CA 1.700 57.774 56.287 -0.355 0.000 0.936 3679 K CB -0.156 31.896 32.500 -0.747 0.000 0.722 3679 K HN 0.396 nan 8.250 nan 0.000 0.446 3680 D N -0.076 120.249 120.400 -0.125 0.000 2.144 3680 D HA -0.163 4.477 4.640 0.000 0.000 0.199 3680 D C 1.836 178.105 176.300 -0.051 0.000 0.984 3680 D CA 1.189 55.141 54.000 -0.080 0.000 0.834 3680 D CB 0.169 40.938 40.800 -0.053 0.000 0.955 3680 D HN 0.137 nan 8.370 nan 0.000 0.465 3681 M N -0.095 119.485 119.600 -0.034 0.000 2.132 3681 M HA -0.082 4.398 4.480 0.000 0.000 0.263 3681 M C 2.298 178.593 176.300 -0.008 0.000 1.065 3681 M CA 0.653 55.946 55.300 -0.011 0.000 1.122 3681 M CB -0.799 31.804 32.600 0.005 0.000 1.365 3681 M HN 0.030 nan 8.290 nan 0.000 0.411 3682 V N 0.657 120.564 119.914 -0.011 0.000 2.343 3682 V HA -0.234 3.887 4.120 0.000 0.000 0.247 3682 V C 2.715 178.800 176.094 -0.015 0.000 1.051 3682 V CA 1.870 64.172 62.300 0.003 0.000 1.036 3682 V CB -1.358 30.482 31.823 0.028 0.000 0.654 3682 V HN 0.486 nan 8.190 nan 0.000 0.451 3683 A N -0.166 122.626 122.820 -0.046 0.000 1.933 3683 A HA -0.236 4.084 4.320 0.000 0.000 0.218 3683 A C 2.186 179.756 177.584 -0.023 0.000 1.175 3683 A CA 1.957 53.968 52.037 -0.042 0.000 0.628 3683 A CB -0.450 18.512 19.000 -0.064 0.000 0.814 3683 A HN 0.559 nan 8.150 nan 0.000 0.444 3684 E N 0.285 120.473 120.200 -0.020 0.000 2.106 3684 E HA -0.098 4.252 4.350 0.000 0.000 0.192 3684 E C 1.665 178.264 176.600 -0.002 0.000 0.984 3684 E CA 1.260 57.654 56.400 -0.010 0.000 0.806 3684 E CB -0.355 29.340 29.700 -0.008 0.000 0.750 3684 E HN 0.645 nan 8.360 nan 0.000 0.458 3685 I N 0.433 121.003 120.570 0.000 0.000 2.252 3685 I HA -0.211 3.959 4.170 0.000 0.000 0.245 3685 I C 2.511 178.631 176.117 0.005 0.000 1.102 3685 I CA 0.918 62.222 61.300 0.006 0.000 1.385 3685 I CB -0.326 37.680 38.000 0.009 0.000 1.064 3685 I HN 0.068 nan 8.210 nan 0.000 0.414 3686 K N 1.753 122.155 120.400 0.002 0.000 2.097 3686 K HA -0.146 4.174 4.320 0.000 0.000 0.206 3686 K C 2.099 178.700 176.600 0.002 0.000 1.049 3686 K CA 1.746 58.035 56.287 0.003 0.000 0.933 3686 K CB -0.221 32.280 32.500 0.001 0.000 0.717 3686 K HN 0.292 nan 8.250 nan 0.000 0.442 3687 A N 0.561 123.380 122.820 -0.001 0.000 1.978 3687 A HA -0.111 4.209 4.320 0.000 0.000 0.220 3687 A C 2.249 179.834 177.584 0.003 0.000 1.170 3687 A CA 2.053 54.089 52.037 -0.001 0.000 0.636 3687 A CB -0.527 18.471 19.000 -0.004 0.000 0.810 3687 A HN 0.380 nan 8.150 nan 0.000 0.448 3688 S N -1.816 113.887 115.700 0.005 0.000 2.447 3688 S HA 0.232 4.703 4.470 0.000 0.000 0.233 3688 S C 1.550 176.156 174.600 0.010 0.000 1.006 3688 S CA 1.244 59.449 58.200 0.009 0.000 0.957 3688 S CB -0.148 63.059 63.200 0.012 0.000 0.773 3688 S HN 1.696 nan 8.310 nan 0.000 0.507 3689 G N 0.728 109.533 108.800 0.009 0.000 2.163 3689 G HA2 -0.107 3.854 3.960 0.000 0.000 0.213 3689 G HA3 -0.107 3.854 3.960 0.000 0.000 0.213 3689 G C 0.121 175.028 174.900 0.012 0.000 0.991 3689 G CA -0.175 44.931 45.100 0.010 0.000 0.653 3689 G HN 0.835 nan 8.290 nan 0.000 0.518 3690 A N 0.043 122.871 122.820 0.013 0.000 2.540 3690 A HA 0.563 4.884 4.320 0.000 0.000 0.239 3690 A C 1.188 178.775 177.584 0.006 0.000 1.061 3690 A CA 1.038 53.083 52.037 0.015 0.000 0.758 3690 A CB 0.169 19.178 19.000 0.015 0.000 0.991 3690 A HN 0.375 nan 8.150 nan 0.000 0.502 3691 N N 0.614 119.318 118.700 0.005 0.000 2.382 3691 N HA 0.116 4.856 4.740 0.000 0.000 0.200 3691 N C -0.657 174.836 175.510 -0.028 0.000 1.122 3691 N CA 0.525 53.571 53.050 -0.006 0.000 0.870 3691 N CB 0.904 39.392 38.487 0.003 0.000 1.176 3691 N HN 0.389 nan 8.380 nan 0.000 0.474 3692 V N 2.390 122.287 119.914 -0.029 0.000 2.487 3692 V HA 0.445 4.565 4.120 0.000 0.000 0.298 3692 V C -0.966 175.058 176.094 -0.116 0.000 1.028 3692 V CA -0.831 61.411 62.300 -0.097 0.000 0.860 3692 V CB 2.390 34.190 31.823 -0.039 0.000 0.991 3692 V HN 0.004 nan 8.190 nan 0.000 0.427 3693 L N 5.571 126.644 121.223 -0.251 0.000 2.381 3693 L HA 0.712 5.053 4.340 0.000 0.000 0.274 3693 L C -1.418 175.237 176.870 -0.358 0.000 0.988 3693 L CA -0.022 54.713 54.840 -0.174 0.000 0.824 3693 L CB 1.474 43.480 42.059 -0.087 0.000 1.263 3693 L HN 0.469 nan 8.230 nan 0.000 0.410 3694 F N 4.877 124.830 119.950 0.005 0.000 2.375 3694 F HA 0.459 4.986 4.527 0.000 0.000 0.361 3694 F C 0.141 175.942 175.800 0.003 0.000 1.117 3694 F CA -0.362 57.639 58.000 0.001 0.000 1.037 3694 F CB 1.406 40.405 39.000 -0.002 0.000 1.192 3694 F HN 0.509 nan 8.300 nan 0.000 0.452 3695 C N 5.028 124.407 119.300 0.132 0.000 2.303 3695 C HA 0.253 4.714 4.460 0.000 0.000 0.326 3695 C C 1.612 176.653 174.990 0.085 0.000 1.285 3695 C CA -0.423 58.646 59.018 0.085 0.000 1.675 3695 C CB 0.780 28.545 27.740 0.042 0.000 2.289 3695 C HN 0.948 nan 8.230 nan 0.000 0.512 3696 Q N 3.411 123.252 119.800 0.068 0.000 2.079 3696 Q HA -0.048 4.293 4.340 0.000 0.000 0.200 3696 Q C 1.021 177.044 176.000 0.038 0.000 0.974 3696 Q CA 1.664 57.496 55.803 0.050 0.000 0.840 3696 Q CB 0.170 28.929 28.738 0.035 0.000 0.898 3696 Q HN 0.777 nan 8.270 nan 0.000 0.430 3697 K N -1.133 119.287 120.400 0.033 0.000 2.842 3697 K HA 0.398 4.718 4.320 0.000 0.000 0.310 3697 K C 0.493 177.109 176.600 0.026 0.000 0.992 3697 K CA -0.117 56.185 56.287 0.026 0.000 1.207 3697 K CB -0.243 32.270 32.500 0.022 0.000 1.478 3697 K HN 0.105 nan 8.250 nan 0.000 0.601 3698 G N 0.326 109.138 108.800 0.022 0.000 2.504 3698 G HA2 0.502 4.462 3.960 0.000 0.000 0.288 3698 G HA3 0.502 4.462 3.960 0.000 0.000 0.288 3698 G C -0.634 174.278 174.900 0.020 0.000 1.182 3698 G CA -0.631 44.481 45.100 0.019 0.000 0.894 3698 G HN 0.337 nan 8.290 nan 0.000 0.521 3699 I N 0.845 121.426 120.570 0.018 0.000 2.447 3699 I HA 0.167 4.338 4.170 0.000 0.000 0.287 3699 I C -0.540 175.593 176.117 0.026 0.000 1.023 3699 I CA -0.761 60.552 61.300 0.021 0.000 1.083 3699 I CB 1.990 39.997 38.000 0.011 0.000 1.245 3699 I HN 0.410 nan 8.210 nan 0.000 0.434 3700 D N 5.334 125.756 120.400 0.036 0.000 2.414 3700 D HA -0.035 4.605 4.640 0.000 0.000 0.242 3700 D C 0.678 177.012 176.300 0.058 0.000 1.129 3700 D CA 0.104 54.130 54.000 0.042 0.000 0.885 3700 D CB 1.356 42.182 40.800 0.045 0.000 1.198 3700 D HN 0.497 nan 8.370 nan 0.000 0.437 3701 D N 2.969 123.407 120.400 0.064 0.000 2.190 3701 D HA -0.169 4.471 4.640 0.000 0.000 0.200 3701 D C 1.920 178.333 176.300 0.187 0.000 0.992 3701 D CA 0.749 54.821 54.000 0.120 0.000 0.854 3701 D CB 0.258 41.127 40.800 0.116 0.000 0.936 3701 D HN 0.341 nan 8.370 nan 0.000 0.462 3702 L N 0.953 122.224 121.223 0.079 0.000 2.046 3702 L HA -0.102 4.239 4.340 0.000 0.000 0.208 3702 L C 2.494 179.428 176.870 0.107 0.000 1.077 3702 L CA 1.255 56.112 54.840 0.027 0.000 0.747 3702 L CB -0.959 41.135 42.059 0.058 0.000 0.896 3702 L HN -0.049 nan 8.230 nan 0.000 0.432 3703 A N -1.422 121.490 122.820 0.153 0.000 1.930 3703 A HA -0.208 4.113 4.320 0.000 0.000 0.217 3703 A C 2.210 179.869 177.584 0.125 0.000 1.175 3703 A CA 1.216 53.361 52.037 0.180 0.000 0.627 3703 A CB -0.396 18.672 19.000 0.114 0.000 0.815 3703 A HN 0.517 nan 8.150 nan 0.000 0.443 3704 Q N -1.183 118.661 119.800 0.073 0.000 2.124 3704 Q HA -0.215 4.126 4.340 0.000 0.000 0.202 3704 Q C 1.920 177.874 176.000 -0.076 0.000 0.977 3704 Q CA 1.865 57.659 55.803 -0.016 0.000 0.850 3704 Q CB -0.292 28.402 28.738 -0.074 0.000 0.901 3704 Q HN 0.863 nan 8.270 nan 0.000 0.429 3705 H N -1.296 117.712 119.070 -0.103 0.000 2.363 3705 H HA -0.106 4.450 4.556 0.000 0.000 0.301 3705 H C 1.320 176.562 175.328 -0.142 0.000 1.074 3705 H CA 1.389 57.334 56.048 -0.172 0.000 1.354 3705 H CB 0.028 29.608 29.762 -0.305 0.000 1.397 3705 H HN 0.240 nan 8.280 nan 0.000 0.516 3706 Y N 0.099 120.465 120.300 0.111 0.000 2.314 3706 Y HA -0.076 4.474 4.550 0.000 0.000 0.293 3706 Y C 2.253 178.167 175.900 0.022 0.000 1.129 3706 Y CA 0.602 58.734 58.100 0.054 0.000 1.201 3706 Y CB -0.486 37.998 38.460 0.040 0.000 0.999 3706 Y HN 0.127 nan 8.280 nan 0.000 0.541 3707 L N -1.034 120.284 121.223 0.157 0.000 2.046 3707 L HA -0.213 4.127 4.340 0.000 0.000 0.208 3707 L C 2.620 179.506 176.870 0.028 0.000 1.077 3707 L CA 1.156 56.036 54.840 0.068 0.000 0.747 3707 L CB -0.771 41.306 42.059 0.029 0.000 0.896 3707 L HN 0.191 nan 8.230 nan 0.000 0.432 3708 A N 0.019 122.841 122.820 0.003 0.000 1.930 3708 A HA -0.204 4.117 4.320 0.000 0.000 0.217 3708 A C 2.303 179.892 177.584 0.008 0.000 1.175 3708 A CA 1.526 53.549 52.037 -0.023 0.000 0.627 3708 A CB -0.308 18.646 19.000 -0.077 0.000 0.815 3708 A HN 0.308 nan 8.150 nan 0.000 0.443 3709 K N -0.366 120.061 120.400 0.045 0.000 2.147 3709 K HA -0.096 4.225 4.320 0.000 0.000 0.205 3709 K C 1.376 178.008 176.600 0.054 0.000 1.049 3709 K CA 1.238 57.563 56.287 0.063 0.000 0.936 3709 K CB -0.028 32.545 32.500 0.121 0.000 0.722 3709 K HN 0.384 nan 8.250 nan 0.000 0.446 3710 E N -0.469 119.764 120.200 0.055 0.000 2.478 3710 E HA 0.003 4.354 4.350 0.000 0.000 0.194 3710 E C 0.897 177.507 176.600 0.018 0.000 1.045 3710 E CA 0.524 56.946 56.400 0.036 0.000 0.868 3710 E CB 0.597 30.319 29.700 0.037 0.000 0.885 3710 E HN 0.477 nan 8.360 nan 0.000 0.505 3711 G N 1.951 110.758 108.800 0.011 0.000 2.147 3711 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 3711 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 3711 G C 0.221 175.116 174.900 -0.010 0.000 1.005 3711 G CA 0.174 45.273 45.100 -0.002 0.000 0.713 3711 G HN 0.253 nan 8.290 nan 0.000 0.515 3712 I N 1.040 121.603 120.570 -0.011 0.000 2.315 3712 I HA 0.444 4.614 4.170 0.000 0.000 0.291 3712 I C 0.994 177.083 176.117 -0.047 0.000 1.006 3712 I CA -1.170 60.116 61.300 -0.024 0.000 1.265 3712 I CB 1.572 39.563 38.000 -0.014 0.000 1.387 3712 I HN 0.143 nan 8.210 nan 0.000 0.475 3713 V N 3.625 123.497 119.914 -0.070 0.000 2.644 3713 V HA 0.935 5.055 4.120 0.000 0.000 0.295 3713 V C 0.057 176.056 176.094 -0.159 0.000 1.053 3713 V CA -0.326 61.913 62.300 -0.101 0.000 0.987 3713 V CB 1.309 33.073 31.823 -0.098 0.000 1.006 3713 V HN 0.832 nan 8.190 nan 0.000 0.472 3714 A N 3.137 125.857 122.820 -0.167 0.000 2.549 3714 A HA 0.984 5.304 4.320 0.000 0.000 0.297 3714 A C -0.393 177.073 177.584 -0.197 0.000 1.061 3714 A CA -0.296 51.618 52.037 -0.204 0.000 0.690 3714 A CB 1.800 20.730 19.000 -0.117 0.000 1.287 3714 A HN 2.340 nan 8.150 nan 0.000 0.402 3715 A N 1.955 124.630 122.820 -0.242 0.000 2.353 3715 A HA 0.740 5.061 4.320 0.000 0.000 0.299 3715 A C 0.021 177.592 177.584 -0.023 0.000 1.089 3715 A CA -0.627 51.340 52.037 -0.117 0.000 0.736 3715 A CB 0.748 19.687 19.000 -0.102 0.000 1.195 3715 A HN 1.217 nan 8.150 nan 0.000 0.447 3716 R N 1.856 122.357 120.500 0.002 0.000 2.608 3716 R HA 0.714 5.054 4.340 0.000 0.000 0.255 3716 R C -0.348 175.976 176.300 0.040 0.000 1.086 3716 R CA -0.773 55.342 56.100 0.025 0.000 1.125 3716 R CB 0.377 30.684 30.300 0.012 0.000 1.193 3716 R HN 0.490 nan 8.270 nan 0.000 0.553 3717 R N -1.084 119.438 120.500 0.037 0.000 3.525 3717 R HA -0.109 4.231 4.340 0.000 0.000 0.276 3717 R C -0.715 175.610 176.300 0.042 0.000 1.116 3717 R CA 0.590 56.710 56.100 0.033 0.000 0.745 3717 R CB -2.655 27.659 30.300 0.023 0.000 1.185 3717 R HN 0.517 nan 8.270 nan 0.000 0.454 3718 V N 1.434 121.386 119.914 0.063 0.000 2.572 3718 V HA 0.066 4.186 4.120 0.000 0.000 0.291 3718 V C 1.428 177.541 176.094 0.031 0.000 1.039 3718 V CA -0.156 62.186 62.300 0.071 0.000 1.055 3718 V CB 1.337 33.238 31.823 0.129 0.000 0.969 3718 V HN 0.138 nan 8.190 nan 0.000 0.482 3719 K N 3.260 123.667 120.400 0.011 0.000 2.382 3719 K HA 0.033 4.353 4.320 0.000 0.000 0.275 3719 K C 1.171 177.763 176.600 -0.013 0.000 1.009 3719 K CA -0.349 55.935 56.287 -0.004 0.000 0.970 3719 K CB 0.556 33.047 32.500 -0.014 0.000 0.934 3719 K HN 0.589 nan 8.250 nan 0.000 0.479 3720 K N 2.043 122.438 120.400 -0.010 0.000 2.074 3720 K HA -0.178 4.142 4.320 0.000 0.000 0.209 3720 K C 1.907 178.491 176.600 -0.027 0.000 1.048 3720 K CA 2.108 58.388 56.287 -0.013 0.000 0.926 3720 K CB -0.561 31.934 32.500 -0.008 0.000 0.713 3720 K HN 0.594 nan 8.250 nan 0.000 0.444 3721 S N 0.270 115.952 115.700 -0.029 0.000 2.359 3721 S HA -0.175 4.295 4.470 0.000 0.000 0.224 3721 S C 1.383 175.948 174.600 -0.059 0.000 1.035 3721 S CA 1.849 60.026 58.200 -0.038 0.000 1.018 3721 S CB -0.519 62.660 63.200 -0.034 0.000 0.876 3721 S HN 0.415 nan 8.310 nan 0.000 0.448 3722 D N 0.782 121.141 120.400 -0.068 0.000 2.144 3722 D HA -0.037 4.604 4.640 0.000 0.000 0.200 3722 D C 2.008 178.215 176.300 -0.154 0.000 0.978 3722 D CA 0.905 54.837 54.000 -0.112 0.000 0.833 3722 D CB -0.263 40.474 40.800 -0.104 0.000 0.961 3722 D HN 0.380 nan 8.370 nan 0.000 0.470 3723 M N 0.489 120.025 119.600 -0.106 0.000 2.159 3723 M HA -0.088 4.393 4.480 0.000 0.000 0.263 3723 M C 1.887 178.133 176.300 -0.089 0.000 1.063 3723 M CA 1.193 56.434 55.300 -0.098 0.000 1.110 3723 M CB -0.746 31.832 32.600 -0.036 0.000 1.374 3723 M HN 0.116 nan 8.290 nan 0.000 0.411 3724 E N 0.052 120.210 120.200 -0.069 0.000 2.072 3724 E HA -0.134 4.216 4.350 0.000 0.000 0.190 3724 E C 2.068 178.628 176.600 -0.067 0.000 0.982 3724 E CA 0.854 57.220 56.400 -0.055 0.000 0.803 3724 E CB 0.007 29.683 29.700 -0.040 0.000 0.755 3724 E HN 0.495 nan 8.360 nan 0.000 0.453 3725 K N 0.628 120.978 120.400 -0.085 0.000 2.097 3725 K HA -0.093 4.227 4.320 0.000 0.000 0.205 3725 K C 2.204 178.739 176.600 -0.109 0.000 1.050 3725 K CA 0.802 57.037 56.287 -0.088 0.000 0.938 3725 K CB -0.074 32.369 32.500 -0.095 0.000 0.718 3725 K HN 0.107 nan 8.250 nan 0.000 0.442 3726 L N 0.468 121.592 121.223 -0.165 0.000 2.056 3726 L HA -0.170 4.170 4.340 0.000 0.000 0.207 3726 L C 2.590 179.392 176.870 -0.114 0.000 1.078 3726 L CA 1.075 55.793 54.840 -0.204 0.000 0.749 3726 L CB -0.542 41.285 42.059 -0.386 0.000 0.901 3726 L HN 0.192 nan 8.230 nan 0.000 0.433 3727 A N 0.092 122.861 122.820 -0.085 0.000 1.902 3727 A HA -0.204 4.116 4.320 0.000 0.000 0.217 3727 A C 2.329 179.895 177.584 -0.030 0.000 1.181 3727 A CA 1.596 53.608 52.037 -0.043 0.000 0.623 3727 A CB -0.297 18.683 19.000 -0.032 0.000 0.818 3727 A HN 0.305 nan 8.150 nan 0.000 0.443 3728 K N -0.380 119.999 120.400 -0.035 0.000 2.025 3728 K HA -0.029 4.292 4.320 0.000 0.000 0.207 3728 K C 2.362 178.953 176.600 -0.015 0.000 1.049 3728 K CA 1.178 57.451 56.287 -0.023 0.000 0.933 3728 K CB -0.294 32.191 32.500 -0.026 0.000 0.714 3728 K HN 0.430 nan 8.250 nan 0.000 0.438 3729 A N 1.127 123.932 122.820 -0.024 0.000 1.854 3729 A HA -0.132 4.189 4.320 0.000 0.000 0.214 3729 A C 2.304 179.888 177.584 0.001 0.000 1.192 3729 A CA 2.098 54.128 52.037 -0.012 0.000 0.611 3729 A CB -1.019 17.965 19.000 -0.027 0.000 0.832 3729 A HN 0.464 nan 8.150 nan 0.000 0.442 3730 T N -4.077 110.472 114.554 -0.008 0.000 3.023 3730 T HA 0.339 4.689 4.350 0.000 0.000 0.266 3730 T C 1.466 176.177 174.700 0.018 0.000 1.093 3730 T CA 1.277 63.383 62.100 0.010 0.000 1.129 3730 T CB -0.251 68.624 68.868 0.010 0.000 0.899 3730 T HN 1.805 nan 8.240 nan 0.000 0.491 3731 G N 1.368 110.175 108.800 0.011 0.000 2.137 3731 G HA2 0.001 3.961 3.960 0.000 0.000 0.237 3731 G HA3 0.001 3.961 3.960 0.000 0.000 0.237 3731 G C 0.210 175.119 174.900 0.014 0.000 1.002 3731 G CA -0.024 45.084 45.100 0.014 0.000 0.702 3731 G HN 1.179 nan 8.290 nan 0.000 0.515 3732 A N -0.378 122.450 122.820 0.012 0.000 2.371 3732 A HA 0.637 4.957 4.320 0.000 0.000 0.257 3732 A C 0.375 177.966 177.584 0.012 0.000 1.089 3732 A CA 0.285 52.334 52.037 0.019 0.000 0.794 3732 A CB 0.520 19.536 19.000 0.028 0.000 1.029 3732 A HN 0.750 nan 8.150 nan 0.000 0.488 3733 N N 1.516 120.226 118.700 0.018 0.000 2.444 3733 N HA 0.365 5.106 4.740 0.000 0.000 0.262 3733 N C -0.911 174.609 175.510 0.017 0.000 0.974 3733 N CA -0.348 52.710 53.050 0.013 0.000 0.933 3733 N CB 1.224 39.719 38.487 0.013 0.000 1.137 3733 N HN 0.286 nan 8.380 nan 0.000 0.498 3734 V N 4.875 124.796 119.914 0.011 0.000 2.485 3734 V HA 0.134 4.254 4.120 0.000 0.000 0.287 3734 V C 0.388 176.491 176.094 0.016 0.000 1.022 3734 V CA -0.007 62.302 62.300 0.015 0.000 1.067 3734 V CB -0.150 31.677 31.823 0.006 0.000 0.967 3734 V HN 0.514 nan 8.190 nan 0.000 0.479 3735 I N 4.063 124.646 120.570 0.021 0.000 2.441 3735 I HA 0.446 4.616 4.170 0.000 0.000 0.295 3735 I C 0.970 177.098 176.117 0.019 0.000 0.994 3735 I CA -0.367 60.944 61.300 0.019 0.000 1.144 3735 I CB 1.379 39.391 38.000 0.020 0.000 1.314 3735 I HN 0.629 nan 8.210 nan 0.000 0.445 3736 A N 5.512 128.341 122.820 0.014 0.000 1.832 3736 A HA 0.311 4.631 4.320 0.000 0.000 0.214 3736 A C 1.147 178.740 177.584 0.014 0.000 1.204 3736 A CA 1.050 53.095 52.037 0.014 0.000 0.606 3736 A CB -0.257 18.749 19.000 0.010 0.000 0.849 3736 A HN 0.731 nan 8.150 nan 0.000 0.445 3737 A N -0.739 122.089 122.820 0.013 0.000 2.309 3737 A HA 0.609 4.929 4.320 0.000 0.000 0.298 3737 A C 0.864 178.456 177.584 0.013 0.000 1.165 3737 A CA -0.538 51.506 52.037 0.012 0.000 0.821 3737 A CB 0.132 19.138 19.000 0.009 0.000 1.102 3737 A HN 0.399 nan 8.150 nan 0.000 0.500 3738 I N 2.000 122.578 120.570 0.013 0.000 2.264 3738 I HA -0.322 3.848 4.170 0.000 0.000 0.248 3738 I C 2.756 178.879 176.117 0.010 0.000 1.111 3738 I CA 1.758 63.066 61.300 0.014 0.000 1.382 3738 I CB -0.245 37.763 38.000 0.013 0.000 1.060 3738 I HN 0.760 nan 8.210 nan 0.000 0.418 3739 A N 0.662 123.487 122.820 0.008 0.000 1.972 3739 A HA -0.154 4.167 4.320 0.000 0.000 0.219 3739 A C 2.482 180.069 177.584 0.006 0.000 1.169 3739 A CA 1.828 53.868 52.037 0.005 0.000 0.635 3739 A CB -0.687 18.316 19.000 0.004 0.000 0.810 3739 A HN 0.449 nan 8.150 nan 0.000 0.446 3740 A N -1.080 121.745 122.820 0.008 0.000 2.066 3740 A HA 0.267 4.587 4.320 0.000 0.000 0.218 3740 A C 1.021 178.611 177.584 0.010 0.000 1.157 3740 A CA 0.365 52.407 52.037 0.008 0.000 0.670 3740 A CB -0.499 18.506 19.000 0.009 0.000 0.804 3740 A HN 0.579 nan 8.150 nan 0.000 0.453 3741 L N 1.881 123.111 121.223 0.012 0.000 2.534 3741 L HA 0.291 4.631 4.340 0.000 0.000 0.271 3741 L C 0.474 177.351 176.870 0.012 0.000 1.178 3741 L CA 0.572 55.421 54.840 0.015 0.000 0.907 3741 L CB 0.234 42.304 42.059 0.018 0.000 1.164 3741 L HN 0.361 nan 8.230 nan 0.000 0.482 3742 S N 3.449 119.157 115.700 0.013 0.000 2.709 3742 S HA 0.792 5.262 4.470 0.000 0.000 0.302 3742 S C 0.879 175.487 174.600 0.014 0.000 1.127 3742 S CA -0.350 57.856 58.200 0.012 0.000 0.905 3742 S CB 1.293 64.499 63.200 0.010 0.000 1.151 3742 S HN 0.807 nan 8.310 nan 0.000 0.510 3743 A N 0.441 123.268 122.820 0.013 0.000 1.972 3743 A HA -0.065 4.255 4.320 0.000 0.000 0.219 3743 A C 2.027 179.620 177.584 0.016 0.000 1.169 3743 A CA 1.246 53.292 52.037 0.014 0.000 0.635 3743 A CB -0.878 18.129 19.000 0.012 0.000 0.810 3743 A HN 0.734 nan 8.150 nan 0.000 0.446 3744 Q N 0.130 119.938 119.800 0.014 0.000 2.437 3744 Q HA -0.095 4.246 4.340 0.000 0.000 0.210 3744 Q C 0.499 176.508 176.000 0.016 0.000 0.972 3744 Q CA 1.013 56.825 55.803 0.014 0.000 0.903 3744 Q CB -0.212 28.533 28.738 0.011 0.000 0.967 3744 Q HN 0.661 nan 8.270 nan 0.000 0.486 3745 D N -0.211 120.200 120.400 0.018 0.000 2.350 3745 D HA 0.081 4.722 4.640 0.000 0.000 0.213 3745 D C 0.402 176.718 176.300 0.026 0.000 1.031 3745 D CA 0.079 54.091 54.000 0.020 0.000 0.861 3745 D CB 0.646 41.458 40.800 0.020 0.000 0.926 3745 D HN 0.199 nan 8.370 nan 0.000 0.520 3746 L N 0.926 122.165 121.223 0.028 0.000 2.349 3746 L HA 0.370 4.710 4.340 0.000 0.000 0.275 3746 L C 1.206 178.098 176.870 0.036 0.000 1.115 3746 L CA -0.462 54.399 54.840 0.036 0.000 0.820 3746 L CB 1.248 43.327 42.059 0.033 0.000 1.135 3746 L HN -0.137 nan 8.230 nan 0.000 0.445 3747 G N 1.289 110.116 108.800 0.044 0.000 2.491 3747 G HA2 0.437 4.398 3.960 0.000 0.000 0.327 3747 G HA3 0.437 4.398 3.960 0.000 0.000 0.327 3747 G C -1.149 173.778 174.900 0.046 0.000 1.189 3747 G CA -0.478 44.646 45.100 0.041 0.000 0.956 3747 G HN 0.538 nan 8.290 nan 0.000 0.491 3748 D N -0.279 120.145 120.400 0.040 0.000 2.350 3748 D HA 0.615 5.255 4.640 0.000 0.000 0.245 3748 D C -0.336 175.988 176.300 0.039 0.000 1.036 3748 D CA 0.047 54.070 54.000 0.039 0.000 0.848 3748 D CB 2.114 42.933 40.800 0.032 0.000 1.307 3748 D HN 0.578 nan 8.370 nan 0.000 0.469 3749 A N 0.383 123.229 122.820 0.043 0.000 2.455 3749 A HA 0.618 4.939 4.320 0.000 0.000 0.300 3749 A C 0.859 178.463 177.584 0.034 0.000 1.040 3749 A CA -0.434 51.629 52.037 0.043 0.000 0.697 3749 A CB 1.712 20.752 19.000 0.067 0.000 1.265 3749 A HN 0.504 nan 8.150 nan 0.000 0.407 3750 G N 0.312 109.126 108.800 0.023 0.000 2.394 3750 G HA2 0.310 4.270 3.960 0.000 0.000 0.215 3750 G HA3 0.310 4.270 3.960 0.000 0.000 0.215 3750 G C 0.304 175.217 174.900 0.023 0.000 1.165 3750 G CA 1.570 46.679 45.100 0.015 0.000 0.784 3750 G HN 1.137 nan 8.290 nan 0.000 0.535 3751 L N 0.273 121.517 121.223 0.035 0.000 2.470 3751 L HA 0.657 4.997 4.340 0.000 0.000 0.268 3751 L C -1.312 175.601 176.870 0.072 0.000 0.964 3751 L CA -0.853 54.012 54.840 0.042 0.000 0.839 3751 L CB 2.547 44.624 42.059 0.029 0.000 1.276 3751 L HN -0.126 nan 8.230 nan 0.000 0.403 3752 V N 4.603 124.562 119.914 0.075 0.000 2.407 3752 V HA 0.649 4.769 4.120 0.000 0.000 0.291 3752 V C -0.516 175.631 176.094 0.089 0.000 1.018 3752 V CA -0.459 61.906 62.300 0.107 0.000 0.842 3752 V CB 1.478 33.367 31.823 0.111 0.000 0.996 3752 V HN 0.833 nan 8.190 nan 0.000 0.426 3753 E N 3.069 123.344 120.200 0.125 0.000 2.321 3753 E HA 0.381 4.731 4.350 0.000 0.000 0.278 3753 E C -1.102 175.590 176.600 0.153 0.000 0.902 3753 E CA -0.661 55.797 56.400 0.095 0.000 0.758 3753 E CB 2.276 32.003 29.700 0.045 0.000 1.213 3753 E HN 0.764 nan 8.360 nan 0.000 0.426 3754 E N 4.225 124.486 120.200 0.102 0.000 2.152 3754 E HA 0.245 4.596 4.350 0.000 0.000 0.285 3754 E C -0.906 175.755 176.600 0.102 0.000 1.043 3754 E CA -0.189 56.282 56.400 0.118 0.000 0.839 3754 E CB 0.670 30.406 29.700 0.060 0.000 1.069 3754 E HN 0.336 nan 8.360 nan 0.000 0.399 3755 R N 3.573 124.179 120.500 0.177 0.000 2.744 3755 R HA 0.393 4.733 4.340 0.000 0.000 0.279 3755 R C -0.796 175.597 176.300 0.154 0.000 0.977 3755 R CA -0.965 55.194 56.100 0.099 0.000 0.906 3755 R CB 1.945 32.198 30.300 -0.079 0.000 1.197 3755 R HN 0.331 nan 8.270 nan 0.000 0.463 3756 K N 2.316 122.764 120.400 0.080 0.000 2.234 3756 K HA 0.387 4.707 4.320 0.000 0.000 0.277 3756 K C -0.509 176.142 176.600 0.084 0.000 1.038 3756 K CA -0.499 55.835 56.287 0.078 0.000 0.888 3756 K CB 1.036 33.560 32.500 0.040 0.000 1.091 3756 K HN 0.258 nan 8.250 nan 0.000 0.467 3757 I N 2.640 123.275 120.570 0.108 0.000 2.359 3757 I HA 0.066 4.236 4.170 0.000 0.000 0.284 3757 I C 0.136 176.288 176.117 0.059 0.000 1.018 3757 I CA -0.285 61.076 61.300 0.100 0.000 1.173 3757 I CB 0.683 38.775 38.000 0.153 0.000 1.326 3757 I HN 0.685 nan 8.210 nan 0.000 0.462 3758 S N 4.628 120.353 115.700 0.041 0.000 3.587 3758 S HA -0.195 4.275 4.470 0.000 0.000 0.337 3758 S C 1.336 175.949 174.600 0.022 0.000 1.119 3758 S CA 1.131 59.346 58.200 0.026 0.000 0.976 3758 S CB -1.225 61.988 63.200 0.023 0.000 0.922 3758 S HN 1.333 nan 8.310 nan 0.000 0.503 3759 G N 0.366 109.181 108.800 0.026 0.000 2.420 3759 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 3759 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 3759 G C -0.379 174.537 174.900 0.027 0.000 1.117 3759 G CA 0.062 45.175 45.100 0.021 0.000 0.657 3759 G HN 0.597 nan 8.290 nan 0.000 0.512 3760 D N 1.665 122.083 120.400 0.030 0.000 2.417 3760 D HA 0.425 5.065 4.640 0.000 0.000 0.250 3760 D C 0.451 176.781 176.300 0.049 0.000 1.166 3760 D CA 0.765 54.783 54.000 0.031 0.000 0.881 3760 D CB 1.532 42.346 40.800 0.023 0.000 1.164 3760 D HN 0.261 nan 8.370 nan 0.000 0.467 3761 S N 3.005 118.731 115.700 0.043 0.000 2.505 3761 S HA 0.385 4.856 4.470 0.000 0.000 0.276 3761 S C -0.220 174.417 174.600 0.061 0.000 1.274 3761 S CA -0.401 57.835 58.200 0.059 0.000 1.053 3761 S CB 0.075 63.300 63.200 0.041 0.000 0.919 3761 S HN 0.310 nan 8.310 nan 0.000 0.490 3762 M N 4.497 124.157 119.600 0.100 0.000 2.593 3762 M HA 0.524 5.004 4.480 0.000 0.000 0.290 3762 M C -1.127 175.241 176.300 0.113 0.000 1.244 3762 M CA -0.610 54.722 55.300 0.053 0.000 0.857 3762 M CB 2.173 34.752 32.600 -0.035 0.000 1.738 3762 M HN 0.432 nan 8.290 nan 0.000 0.461 3763 I N 1.726 122.318 120.570 0.036 0.000 2.339 3763 I HA 0.364 4.534 4.170 0.000 0.000 0.290 3763 I C -1.283 174.841 176.117 0.012 0.000 0.994 3763 I CA -0.375 61.001 61.300 0.126 0.000 1.191 3763 I CB 0.896 39.000 38.000 0.174 0.000 1.343 3763 I HN 0.437 nan 8.210 nan 0.000 0.458 3764 F N 5.879 125.866 119.950 0.061 0.000 2.405 3764 F HA 0.358 4.885 4.527 0.000 0.000 0.355 3764 F C 0.197 176.031 175.800 0.058 0.000 1.121 3764 F CA -0.666 57.362 58.000 0.046 0.000 1.112 3764 F CB 1.358 40.375 39.000 0.027 0.000 1.126 3764 F HN 0.031 nan 8.300 nan 0.000 0.481 3765 V N 4.398 124.410 119.914 0.163 0.000 2.275 3765 V HA 0.341 4.461 4.120 0.000 0.000 0.272 3765 V C -0.313 175.841 176.094 0.100 0.000 1.028 3765 V CA -0.548 61.825 62.300 0.122 0.000 0.810 3765 V CB 0.318 32.181 31.823 0.066 0.000 1.043 3765 V HN 0.831 nan 8.190 nan 0.000 0.453 3766 E N 2.810 123.074 120.200 0.107 0.000 2.423 3766 E HA 0.655 5.006 4.350 0.000 0.000 0.269 3766 E C -0.639 175.989 176.600 0.047 0.000 0.948 3766 E CA -0.896 55.552 56.400 0.081 0.000 0.802 3766 E CB 1.500 31.264 29.700 0.106 0.000 1.339 3766 E HN 0.152 nan 8.360 nan 0.000 0.445 3767 E N -1.231 118.984 120.200 0.026 0.000 2.868 3767 E HA -0.161 4.190 4.350 0.000 0.000 0.278 3767 E C -0.634 175.960 176.600 -0.010 0.000 1.009 3767 E CA 0.676 57.078 56.400 0.003 0.000 0.856 3767 E CB -2.440 27.263 29.700 0.004 0.000 1.428 3767 E HN 0.566 nan 8.360 nan 0.000 0.423 3768 C N 0.772 120.068 119.300 -0.007 0.000 2.652 3768 C HA 0.109 4.569 4.460 0.000 0.000 0.412 3768 C C 2.283 177.229 174.990 -0.072 0.000 1.294 3768 C CA -0.225 58.782 59.018 -0.018 0.000 2.127 3768 C CB 0.548 28.289 27.740 0.001 0.000 2.691 3768 C HN 0.354 nan 8.230 nan 0.000 0.615 3769 K N 0.587 120.925 120.400 -0.103 0.000 1.978 3769 K HA -0.099 4.222 4.320 0.000 0.000 0.214 3769 K C 0.405 176.704 176.600 -0.502 0.000 1.049 3769 K CA 1.390 57.508 56.287 -0.282 0.000 0.939 3769 K CB -0.077 32.302 32.500 -0.201 0.000 0.721 3769 K HN 0.689 nan 8.250 nan 0.000 0.441 3770 H N 0.142 119.217 119.070 0.008 0.000 2.488 3770 H HA 0.235 4.791 4.556 0.000 0.000 0.237 3770 H C -2.498 172.832 175.328 0.004 0.000 1.395 3770 H CA -1.962 54.090 56.048 0.006 0.000 1.491 3770 H CB 0.712 30.477 29.762 0.004 0.000 1.567 3770 H HN 0.194 nan 8.280 nan 0.000 0.508 3771 P HA 0.112 nan 4.420 nan 0.000 0.271 3771 P C 0.309 177.636 177.300 0.045 0.000 1.218 3771 P CA -0.456 62.669 63.100 0.042 0.000 0.780 3771 P CB 1.830 33.542 31.700 0.020 0.000 0.901 3772 K N 0.383 120.799 120.400 0.026 0.000 2.358 3772 K HA 0.452 4.773 4.320 0.000 0.000 0.200 3772 K C 0.277 176.880 176.600 0.005 0.000 1.030 3772 K CA 0.059 56.357 56.287 0.018 0.000 1.097 3772 K CB 0.684 33.191 32.500 0.012 0.000 0.862 3772 K HN 0.556 nan 8.250 nan 0.000 0.534 3773 A N 0.422 123.242 122.820 0.001 0.000 2.486 3773 A HA 0.679 4.999 4.320 0.000 0.000 0.300 3773 A C -0.944 176.637 177.584 -0.006 0.000 1.048 3773 A CA -0.777 51.254 52.037 -0.009 0.000 0.696 3773 A CB 1.259 20.245 19.000 -0.024 0.000 1.278 3773 A HN -0.011 nan 8.150 nan 0.000 0.405 3774 V N -1.246 118.664 119.914 -0.007 0.000 3.074 3774 V HA 0.973 5.093 4.120 0.000 0.000 0.314 3774 V C -0.405 175.683 176.094 -0.011 0.000 1.117 3774 V CA -0.591 61.708 62.300 -0.002 0.000 1.014 3774 V CB 1.673 33.499 31.823 0.006 0.000 1.057 3774 V HN 0.875 nan 8.190 nan 0.000 0.438 3775 T N 3.609 118.160 114.554 -0.006 0.000 2.848 3775 T HA 0.548 4.898 4.350 0.000 0.000 0.285 3775 T C -0.594 174.107 174.700 0.002 0.000 0.995 3775 T CA -0.230 61.861 62.100 -0.016 0.000 0.970 3775 T CB 1.431 70.273 68.868 -0.043 0.000 0.976 3775 T HN 0.949 nan 8.240 nan 0.000 0.441 3776 M N 4.595 124.193 119.600 -0.003 0.000 2.066 3776 M HA 0.500 4.980 4.480 0.000 0.000 0.340 3776 M C -1.307 174.997 176.300 0.007 0.000 1.053 3776 M CA -0.796 54.508 55.300 0.007 0.000 0.983 3776 M CB 0.396 32.999 32.600 0.005 0.000 1.520 3776 M HN 0.524 nan 8.290 nan 0.000 0.428 3777 L N 6.964 128.201 121.223 0.023 0.000 2.261 3777 L HA 0.471 4.812 4.340 0.000 0.000 0.289 3777 L C -0.992 175.894 176.870 0.027 0.000 1.059 3777 L CA -0.385 54.472 54.840 0.028 0.000 0.816 3777 L CB 0.505 42.605 42.059 0.068 0.000 1.191 3777 L HN 0.743 nan 8.230 nan 0.000 0.431 3778 I N 5.648 126.227 120.570 0.016 0.000 2.325 3778 I HA 0.324 4.494 4.170 0.000 0.000 0.291 3778 I C 0.192 176.319 176.117 0.016 0.000 1.019 3778 I CA -0.301 61.008 61.300 0.015 0.000 1.302 3778 I CB 0.882 38.887 38.000 0.008 0.000 1.401 3778 I HN 0.588 nan 8.210 nan 0.000 0.485 3779 R N 3.953 124.464 120.500 0.019 0.000 2.828 3779 R HA 0.899 5.240 4.340 0.000 0.000 0.264 3779 R C -0.321 175.988 176.300 0.015 0.000 1.022 3779 R CA -0.991 55.120 56.100 0.018 0.000 1.021 3779 R CB 2.241 32.554 30.300 0.022 0.000 1.163 3779 R HN 0.828 nan 8.270 nan 0.000 0.494 3780 G N -0.731 108.077 108.800 0.014 0.000 2.340 3780 G HA2 0.035 3.996 3.960 0.000 0.000 0.298 3780 G HA3 0.035 3.996 3.960 0.000 0.000 0.298 3780 G C 0.002 174.911 174.900 0.014 0.000 1.498 3780 G CA -0.681 44.428 45.100 0.015 0.000 0.847 3780 G HN 0.401 nan 8.290 nan 0.000 0.594 3781 T N 0.365 114.930 114.554 0.017 0.000 2.915 3781 T HA 0.180 4.530 4.350 0.000 0.000 0.269 3781 T C 0.905 175.616 174.700 0.019 0.000 1.071 3781 T CA 2.005 64.116 62.100 0.018 0.000 1.132 3781 T CB -0.148 68.733 68.868 0.021 0.000 0.878 3781 T HN 0.666 nan 8.240 nan 0.000 0.479 3782 T N -0.051 114.516 114.554 0.022 0.000 2.894 3782 T HA 0.298 4.648 4.350 0.000 0.000 0.309 3782 T C 0.615 175.311 174.700 -0.006 0.000 1.208 3782 T CA -0.740 61.371 62.100 0.018 0.000 1.016 3782 T CB 2.679 71.582 68.868 0.059 0.000 1.192 3782 T HN -0.082 nan 8.240 nan 0.000 0.491 3783 E N 0.749 120.907 120.200 -0.069 0.000 2.070 3783 E HA -0.224 4.126 4.350 0.000 0.000 0.197 3783 E C 1.632 178.149 176.600 -0.138 0.000 1.004 3783 E CA 1.943 58.259 56.400 -0.140 0.000 0.805 3783 E CB -0.127 29.427 29.700 -0.243 0.000 0.744 3783 E HN 0.630 nan 8.360 nan 0.000 0.451 3784 H N -0.804 118.269 119.070 0.005 0.000 2.456 3784 H HA -0.048 4.508 4.556 0.000 0.000 0.296 3784 H C 2.129 177.461 175.328 0.005 0.000 1.079 3784 H CA 1.409 57.459 56.048 0.004 0.000 1.322 3784 H CB -0.082 29.682 29.762 0.004 0.000 1.388 3784 H HN 0.134 nan 8.280 nan 0.000 0.538 3785 V N 1.943 121.922 119.914 0.110 0.000 2.346 3785 V HA -0.186 3.934 4.120 0.000 0.000 0.244 3785 V C 2.664 178.782 176.094 0.040 0.000 1.037 3785 V CA 1.592 63.932 62.300 0.066 0.000 1.029 3785 V CB -0.483 31.370 31.823 0.049 0.000 0.663 3785 V HN 0.404 nan 8.190 nan 0.000 0.454 3786 I N -1.650 118.934 120.570 0.023 0.000 2.830 3786 I HA -0.088 4.082 4.170 0.000 0.000 0.263 3786 I C 2.076 178.199 176.117 0.010 0.000 1.230 3786 I CA 1.429 62.736 61.300 0.012 0.000 1.480 3786 I CB -0.543 37.458 38.000 0.001 0.000 1.095 3786 I HN 0.307 nan 8.210 nan 0.000 0.455 3787 E N 1.369 121.578 120.200 0.015 0.000 2.072 3787 E HA -0.193 4.157 4.350 0.000 0.000 0.190 3787 E C 2.093 178.711 176.600 0.030 0.000 0.982 3787 E CA 0.921 57.334 56.400 0.020 0.000 0.803 3787 E CB -0.115 29.604 29.700 0.031 0.000 0.755 3787 E HN 0.496 nan 8.360 nan 0.000 0.453 3788 E N 1.049 121.273 120.200 0.041 0.000 2.153 3788 E HA -0.150 4.201 4.350 0.000 0.000 0.194 3788 E C 2.058 178.674 176.600 0.026 0.000 0.988 3788 E CA 0.825 57.246 56.400 0.035 0.000 0.811 3788 E CB 0.215 29.939 29.700 0.039 0.000 0.746 3788 E HN 0.088 nan 8.360 nan 0.000 0.466 3789 V N 1.234 121.162 119.914 0.023 0.000 2.379 3789 V HA -0.169 3.951 4.120 0.000 0.000 0.245 3789 V C 2.625 178.728 176.094 0.014 0.000 1.044 3789 V CA 1.494 63.805 62.300 0.018 0.000 1.036 3789 V CB -0.805 31.028 31.823 0.017 0.000 0.664 3789 V HN 0.333 nan 8.190 nan 0.000 0.453 3790 A N 0.588 123.416 122.820 0.012 0.000 1.940 3790 A HA -0.278 4.043 4.320 0.000 0.000 0.219 3790 A C 2.309 179.898 177.584 0.009 0.000 1.176 3790 A CA 2.328 54.370 52.037 0.008 0.000 0.631 3790 A CB -0.499 18.504 19.000 0.004 0.000 0.814 3790 A HN 0.463 nan 8.150 nan 0.000 0.446 3791 R N 0.055 120.562 120.500 0.012 0.000 2.090 3791 R HA 0.095 4.435 4.340 0.000 0.000 0.228 3791 R C 2.139 178.446 176.300 0.013 0.000 1.110 3791 R CA 1.757 57.864 56.100 0.012 0.000 0.973 3791 R CB -0.943 29.366 30.300 0.015 0.000 0.869 3791 R HN 0.361 nan 8.270 nan 0.000 0.440 3792 A N 0.307 123.136 122.820 0.015 0.000 1.883 3792 A HA -0.143 4.177 4.320 0.000 0.000 0.217 3792 A C 2.188 179.780 177.584 0.013 0.000 1.186 3792 A CA 2.099 54.146 52.037 0.016 0.000 0.624 3792 A CB -0.984 18.027 19.000 0.018 0.000 0.822 3792 A HN 0.327 nan 8.150 nan 0.000 0.444 3793 V N -2.311 117.610 119.914 0.011 0.000 3.041 3793 V HA -0.077 4.043 4.120 0.000 0.000 0.260 3793 V C 1.852 177.950 176.094 0.007 0.000 1.105 3793 V CA 2.182 64.487 62.300 0.009 0.000 1.125 3793 V CB -0.667 31.161 31.823 0.007 0.000 0.730 3793 V HN 0.422 nan 8.190 nan 0.000 0.479 3794 D N 1.355 121.759 120.400 0.007 0.000 2.123 3794 D HA -0.196 4.444 4.640 0.000 0.000 0.196 3794 D C 1.815 178.119 176.300 0.006 0.000 0.992 3794 D CA 1.908 55.911 54.000 0.005 0.000 0.833 3794 D CB -0.166 40.637 40.800 0.005 0.000 0.954 3794 D HN 0.554 nan 8.370 nan 0.000 0.455 3795 D N -0.487 119.917 120.400 0.008 0.000 2.183 3795 D HA 0.017 4.657 4.640 0.000 0.000 0.205 3795 D C 1.952 178.258 176.300 0.009 0.000 0.962 3795 D CA 0.969 54.975 54.000 0.009 0.000 0.849 3795 D CB -0.185 40.622 40.800 0.011 0.000 0.978 3795 D HN 0.245 nan 8.370 nan 0.000 0.488 3796 A N 1.060 123.886 122.820 0.010 0.000 1.877 3796 A HA -0.135 4.185 4.320 0.000 0.000 0.216 3796 A C 2.385 179.973 177.584 0.007 0.000 1.186 3796 A CA 1.180 53.222 52.037 0.009 0.000 0.620 3796 A CB -0.879 18.127 19.000 0.009 0.000 0.822 3796 A HN 0.169 nan 8.150 nan 0.000 0.443 3797 V N -0.059 119.859 119.914 0.006 0.000 2.759 3797 V HA -0.060 4.060 4.120 0.000 0.000 0.256 3797 V C 2.316 178.413 176.094 0.004 0.000 1.080 3797 V CA 2.059 64.362 62.300 0.004 0.000 1.101 3797 V CB -0.652 31.173 31.823 0.003 0.000 0.698 3797 V HN 0.571 nan 8.190 nan 0.000 0.477 3798 G N -0.117 108.686 108.800 0.005 0.000 2.394 3798 G HA2 -0.179 3.782 3.960 0.000 0.000 0.214 3798 G HA3 -0.179 3.782 3.960 0.000 0.000 0.214 3798 G C 1.626 176.530 174.900 0.006 0.000 1.176 3798 G CA 1.366 46.469 45.100 0.005 0.000 0.786 3798 G HN 0.670 nan 8.290 nan 0.000 0.533 3799 V N -1.282 118.636 119.914 0.007 0.000 2.871 3799 V HA 0.023 4.143 4.120 0.000 0.000 0.256 3799 V C 2.585 178.683 176.094 0.007 0.000 1.082 3799 V CA 1.147 63.452 62.300 0.008 0.000 1.105 3799 V CB -0.304 31.524 31.823 0.009 0.000 0.713 3799 V HN 0.118 nan 8.190 nan 0.000 0.473 3800 V N 2.015 121.932 119.914 0.006 0.000 2.379 3800 V HA 0.002 4.122 4.120 0.000 0.000 0.245 3800 V C 2.903 179.000 176.094 0.005 0.000 1.044 3800 V CA 2.117 64.420 62.300 0.005 0.000 1.036 3800 V CB -1.268 30.558 31.823 0.005 0.000 0.664 3800 V HN 0.604 nan 8.190 nan 0.000 0.453 3801 G N -1.067 107.735 108.800 0.005 0.000 2.418 3801 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 3801 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 3801 G C 1.731 176.634 174.900 0.005 0.000 1.158 3801 G CA 1.345 46.447 45.100 0.004 0.000 0.771 3801 G HN 0.529 nan 8.290 nan 0.000 0.545 3802 C N 0.519 119.822 119.300 0.006 0.000 2.429 3802 C HA -0.006 4.454 4.460 0.000 0.000 0.277 3802 C C 3.218 178.212 174.990 0.007 0.000 1.262 3802 C CA 1.496 60.518 59.018 0.006 0.000 1.733 3802 C CB -0.982 26.762 27.740 0.007 0.000 2.010 3802 C HN 0.430 nan 8.230 nan 0.000 0.483 3803 T N 1.186 115.744 114.554 0.007 0.000 2.867 3803 T HA -0.045 4.306 4.350 0.000 0.000 0.268 3803 T C 1.571 176.274 174.700 0.006 0.000 1.057 3803 T CA 1.167 63.271 62.100 0.006 0.000 1.136 3803 T CB -0.224 68.648 68.868 0.006 0.000 0.874 3803 T HN 0.507 nan 8.240 nan 0.000 0.466 3804 I N 0.627 121.200 120.570 0.005 0.000 2.406 3804 I HA -0.060 4.110 4.170 0.000 0.000 0.249 3804 I C 2.502 178.621 176.117 0.004 0.000 1.122 3804 I CA 1.198 62.500 61.300 0.004 0.000 1.431 3804 I CB -0.211 37.791 38.000 0.004 0.000 1.087 3804 I HN 0.261 nan 8.210 nan 0.000 0.424 3805 E N -0.224 119.979 120.200 0.005 0.000 2.230 3805 E HA -0.113 4.238 4.350 0.000 0.000 0.192 3805 E C 0.258 176.861 176.600 0.006 0.000 0.987 3805 E CA 0.506 56.909 56.400 0.005 0.000 0.841 3805 E CB 0.259 29.962 29.700 0.005 0.000 0.783 3805 E HN 0.197 nan 8.360 nan 0.000 0.481 3806 D N -0.637 119.766 120.400 0.006 0.000 2.473 3806 D HA 0.136 4.777 4.640 0.000 0.000 0.253 3806 D C 0.085 176.390 176.300 0.007 0.000 1.233 3806 D CA -0.493 53.512 54.000 0.007 0.000 0.908 3806 D CB 1.362 42.167 40.800 0.009 0.000 1.170 3806 D HN 0.029 nan 8.370 nan 0.000 0.558 3807 G N 3.411 112.216 108.800 0.007 0.000 3.327 3807 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 3807 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 3807 G C 0.470 175.375 174.900 0.008 0.000 1.222 3807 G CA -0.257 44.847 45.100 0.007 0.000 0.871 3807 G HN 0.168 nan 8.290 nan 0.000 0.525 3808 R N 0.606 121.112 120.500 0.010 0.000 2.387 3808 R HA 0.561 4.901 4.340 0.000 0.000 0.314 3808 R C -0.147 176.160 176.300 0.012 0.000 0.958 3808 R CA -0.577 55.529 56.100 0.011 0.000 0.846 3808 R CB 1.514 31.822 30.300 0.013 0.000 1.147 3808 R HN 0.403 nan 8.270 nan 0.000 0.447 3809 I N -1.133 119.444 120.570 0.012 0.000 3.002 3809 I HA 0.800 4.971 4.170 0.000 0.000 0.310 3809 I C -0.152 175.975 176.117 0.016 0.000 1.087 3809 I CA -1.322 59.986 61.300 0.013 0.000 1.017 3809 I CB 2.449 40.456 38.000 0.012 0.000 1.226 3809 I HN 0.291 nan 8.210 nan 0.000 0.443 3810 V N -0.306 119.619 119.914 0.017 0.000 3.130 3810 V HA 0.689 4.809 4.120 0.000 0.000 0.310 3810 V C 0.109 176.217 176.094 0.022 0.000 1.158 3810 V CA -0.533 61.780 62.300 0.021 0.000 1.029 3810 V CB 1.239 33.076 31.823 0.023 0.000 1.057 3810 V HN 1.040 nan 8.190 nan 0.000 0.436 3811 S N 1.295 117.011 115.700 0.027 0.000 2.562 3811 S HA 0.652 5.123 4.470 0.000 0.000 0.281 3811 S C 0.486 175.105 174.600 0.032 0.000 1.333 3811 S CA 0.194 58.412 58.200 0.031 0.000 1.052 3811 S CB 0.723 63.945 63.200 0.037 0.000 0.884 3811 S HN 1.837 nan 8.310 nan 0.000 0.506 3812 G N 0.363 109.183 108.800 0.032 0.000 2.641 3812 G HA2 0.570 4.531 3.960 0.000 0.000 0.239 3812 G HA3 0.570 4.531 3.960 0.000 0.000 0.239 3812 G C 0.844 175.764 174.900 0.034 0.000 1.402 3812 G CA -0.595 44.524 45.100 0.030 0.000 1.046 3812 G HN 2.041 nan 8.290 nan 0.000 0.565 3813 G N -2.114 106.704 108.800 0.031 0.000 2.160 3813 G HA2 0.252 4.212 3.960 0.000 0.000 0.251 3813 G HA3 0.252 4.212 3.960 0.000 0.000 0.251 3813 G C 1.438 176.344 174.900 0.009 0.000 1.008 3813 G CA 1.102 46.219 45.100 0.028 0.000 0.724 3813 G HN 2.495 nan 8.290 nan 0.000 0.514 3814 G N -1.320 107.476 108.800 -0.006 0.000 2.159 3814 G HA2 -0.111 3.849 3.960 0.000 0.000 0.256 3814 G HA3 -0.111 3.849 3.960 0.000 0.000 0.256 3814 G C 1.511 176.385 174.900 -0.045 0.000 0.977 3814 G CA 1.698 46.778 45.100 -0.034 0.000 0.652 3814 G HN 2.012 nan 8.290 nan 0.000 0.531 3815 S N 0.044 115.747 115.700 0.005 0.000 2.370 3815 S HA -0.164 4.306 4.470 0.000 0.000 0.226 3815 S C 2.778 177.389 174.600 0.018 0.000 1.033 3815 S CA 2.760 60.993 58.200 0.056 0.000 1.011 3815 S CB -0.547 62.727 63.200 0.123 0.000 0.852 3815 S HN 1.393 nan 8.310 nan 0.000 0.457 3816 T N -0.433 114.124 114.554 0.006 0.000 2.668 3816 T HA -0.030 4.321 4.350 0.000 0.000 0.262 3816 T C 1.632 176.301 174.700 -0.052 0.000 1.045 3816 T CA 1.510 63.610 62.100 -0.000 0.000 1.152 3816 T CB -0.904 67.966 68.868 0.003 0.000 0.864 3816 T HN 0.335 nan 8.240 nan 0.000 0.419 3817 E N 0.921 121.075 120.200 -0.075 0.000 2.171 3817 E HA -0.054 4.296 4.350 0.000 0.000 0.197 3817 E C 2.270 178.778 176.600 -0.153 0.000 0.997 3817 E CA 0.858 57.193 56.400 -0.108 0.000 0.810 3817 E CB -0.769 28.864 29.700 -0.111 0.000 0.738 3817 E HN 0.448 nan 8.360 nan 0.000 0.467 3818 V N 0.379 120.159 119.914 -0.223 0.000 2.453 3818 V HA -0.180 3.940 4.120 0.000 0.000 0.247 3818 V C 2.233 178.089 176.094 -0.397 0.000 1.048 3818 V CA 1.688 63.772 62.300 -0.361 0.000 1.049 3818 V CB -0.364 31.120 31.823 -0.566 0.000 0.672 3818 V HN 0.198 nan 8.190 nan 0.000 0.457 3819 E N 0.716 120.722 120.200 -0.322 0.000 2.110 3819 E HA -0.177 4.173 4.350 0.000 0.000 0.193 3819 E C 2.013 178.583 176.600 -0.050 0.000 0.988 3819 E CA 1.478 57.867 56.400 -0.018 0.000 0.804 3819 E CB -0.393 29.394 29.700 0.145 0.000 0.745 3819 E HN 0.553 nan 8.360 nan 0.000 0.458 3820 L N -0.116 121.065 121.223 -0.070 0.000 2.056 3820 L HA -0.130 4.211 4.340 0.000 0.000 0.207 3820 L C 2.623 179.444 176.870 -0.082 0.000 1.078 3820 L CA 1.297 56.100 54.840 -0.061 0.000 0.749 3820 L CB -0.647 41.396 42.059 -0.027 0.000 0.901 3820 L HN 0.175 nan 8.230 nan 0.000 0.433 3821 S N -0.299 115.341 115.700 -0.099 0.000 2.370 3821 S HA -0.217 4.253 4.470 0.000 0.000 0.226 3821 S C 2.132 176.680 174.600 -0.086 0.000 1.033 3821 S CA 1.316 59.462 58.200 -0.090 0.000 1.011 3821 S CB -0.015 63.121 63.200 -0.107 0.000 0.852 3821 S HN 0.213 nan 8.310 nan 0.000 0.457 3822 M N 0.986 120.531 119.600 -0.091 0.000 2.067 3822 M HA 0.014 4.494 4.480 0.000 0.000 0.260 3822 M C 2.161 178.386 176.300 -0.124 0.000 1.069 3822 M CA 1.494 56.753 55.300 -0.068 0.000 1.117 3822 M CB -1.116 31.477 32.600 -0.012 0.000 1.334 3822 M HN 0.241 nan 8.290 nan 0.000 0.407 3823 K N 0.329 120.608 120.400 -0.202 0.000 2.116 3823 K HA 0.085 4.405 4.320 0.000 0.000 0.203 3823 K C 2.075 178.218 176.600 -0.761 0.000 1.052 3823 K CA 0.866 56.884 56.287 -0.449 0.000 0.952 3823 K CB -0.439 31.794 32.500 -0.446 0.000 0.729 3823 K HN 0.375 nan 8.250 nan 0.000 0.446 3824 L N 0.292 121.261 121.223 -0.424 0.000 2.313 3824 L HA -0.026 4.314 4.340 0.000 0.000 0.214 3824 L C 2.405 179.247 176.870 -0.046 0.000 1.119 3824 L CA 0.617 55.331 54.840 -0.211 0.000 0.809 3824 L CB -0.204 41.857 42.059 0.004 0.000 0.933 3824 L HN 0.097 nan 8.230 nan 0.000 0.449 3825 R N 0.196 120.657 120.500 -0.065 0.000 2.092 3825 R HA -0.138 4.202 4.340 0.000 0.000 0.231 3825 R C 2.067 178.380 176.300 0.022 0.000 1.119 3825 R CA 1.253 57.350 56.100 -0.005 0.000 0.970 3825 R CB -0.120 30.172 30.300 -0.014 0.000 0.864 3825 R HN 0.427 nan 8.270 nan 0.000 0.440 3826 E N -0.471 119.722 120.200 -0.012 0.000 2.107 3826 E HA -0.159 4.192 4.350 0.000 0.000 0.191 3826 E C 1.621 178.354 176.600 0.222 0.000 0.982 3826 E CA 0.844 57.286 56.400 0.070 0.000 0.809 3826 E CB 0.014 29.741 29.700 0.046 0.000 0.756 3826 E HN 0.323 nan 8.360 nan 0.000 0.459 3827 Y N 0.618 120.934 120.300 0.028 0.000 2.200 3827 Y HA -0.103 4.448 4.550 0.000 0.000 0.290 3827 Y C 2.416 178.330 175.900 0.024 0.000 1.137 3827 Y CA 0.625 58.739 58.100 0.024 0.000 1.163 3827 Y CB -1.135 37.340 38.460 0.025 0.000 0.988 3827 Y HN 0.030 nan 8.280 nan 0.000 0.518 3828 A N 0.279 123.218 122.820 0.199 0.000 1.908 3828 A HA -0.173 4.147 4.320 0.000 0.000 0.218 3828 A C 2.182 179.819 177.584 0.089 0.000 1.181 3828 A CA 1.733 53.843 52.037 0.121 0.000 0.627 3828 A CB -0.444 18.616 19.000 0.100 0.000 0.818 3828 A HN 0.328 nan 8.150 nan 0.000 0.445 3829 E N -0.505 119.747 120.200 0.088 0.000 2.110 3829 E HA -0.129 4.222 4.350 0.000 0.000 0.193 3829 E C 2.154 178.789 176.600 0.059 0.000 0.988 3829 E CA 1.158 57.597 56.400 0.065 0.000 0.804 3829 E CB -0.645 29.091 29.700 0.060 0.000 0.745 3829 E HN 0.600 nan 8.360 nan 0.000 0.458 3830 G N 1.060 109.905 108.800 0.074 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 1.757 176.674 174.900 0.027 0.000 1.154 3830 G CA 0.305 45.432 45.100 0.046 0.000 0.784 3830 G HN 0.155 nan 8.290 nan 0.000 0.538 3831 I N -0.113 120.480 120.570 0.037 0.000 2.163 3831 I HA -0.031 4.140 4.170 0.000 0.000 0.240 3831 I C 1.753 177.882 176.117 0.021 0.000 1.081 3831 I CA 0.826 62.140 61.300 0.023 0.000 1.353 3831 I CB -0.308 37.714 38.000 0.036 0.000 1.054 3831 I HN 0.321 nan 8.210 nan 0.000 0.407 3832 S N -1.181 114.537 115.700 0.030 0.000 3.633 3832 S HA -0.130 4.341 4.470 0.000 0.000 0.637 3832 S C 0.507 175.119 174.600 0.020 0.000 2.289 3832 S CA 0.834 59.049 58.200 0.025 0.000 2.476 3832 S CB -1.398 61.813 63.200 0.018 0.000 0.330 3832 S HN 1.410 nan 8.310 nan 0.000 1.787 3833 G N 0.756 109.565 108.800 0.016 0.000 2.552 3833 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 3833 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 3833 G C 0.321 175.231 174.900 0.016 0.000 1.234 3833 G CA 0.971 46.078 45.100 0.012 0.000 0.944 3833 G HN 1.112 nan 8.290 nan 0.000 0.568 3834 R N 0.501 121.008 120.500 0.013 0.000 2.210 3834 R HA 0.146 4.486 4.340 0.000 0.000 0.203 3834 R C 2.488 178.800 176.300 0.020 0.000 1.010 3834 R CA 1.104 57.214 56.100 0.017 0.000 1.008 3834 R CB -0.065 30.243 30.300 0.013 0.000 0.923 3834 R HN 0.707 nan 8.270 nan 0.000 0.469 3835 E N 1.190 121.400 120.200 0.017 0.000 2.160 3835 E HA -0.260 4.091 4.350 0.000 0.000 0.195 3835 E C 1.869 178.495 176.600 0.043 0.000 0.991 3835 E CA 1.535 57.947 56.400 0.020 0.000 0.810 3835 E CB 0.045 29.751 29.700 0.011 0.000 0.742 3835 E HN 0.379 nan 8.360 nan 0.000 0.466 3836 Q N 0.813 120.640 119.800 0.045 0.000 2.291 3836 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 3836 Q C 1.936 177.980 176.000 0.073 0.000 0.970 3836 Q CA 1.104 56.944 55.803 0.061 0.000 0.876 3836 Q CB -0.356 28.413 28.738 0.052 0.000 0.935 3836 Q HN 0.299 nan 8.270 nan 0.000 0.455 3837 L N -0.326 120.934 121.223 0.063 0.000 2.072 3837 L HA 0.028 4.368 4.340 0.000 0.000 0.205 3837 L C 2.286 179.217 176.870 0.102 0.000 1.079 3837 L CA 1.105 55.986 54.840 0.069 0.000 0.752 3837 L CB -0.479 41.609 42.059 0.048 0.000 0.906 3837 L HN 0.439 nan 8.230 nan 0.000 0.436 3838 A N -0.776 122.104 122.820 0.101 0.000 1.930 3838 A HA -0.150 4.170 4.320 0.000 0.000 0.217 3838 A C 2.143 179.913 177.584 0.310 0.000 1.175 3838 A CA 1.719 53.854 52.037 0.162 0.000 0.627 3838 A CB -0.754 18.267 19.000 0.034 0.000 0.815 3838 A HN 0.295 nan 8.150 nan 0.000 0.443 3839 V N -0.086 119.954 119.914 0.210 0.000 2.427 3839 V HA -0.195 3.926 4.120 0.000 0.000 0.248 3839 V C 2.637 178.859 176.094 0.214 0.000 1.051 3839 V CA 2.208 64.634 62.300 0.210 0.000 1.048 3839 V CB -0.784 31.120 31.823 0.135 0.000 0.666 3839 V HN 0.616 nan 8.190 nan 0.000 0.456 3840 R N 1.206 121.801 120.500 0.158 0.000 2.081 3840 R HA -0.070 4.270 4.340 0.000 0.000 0.235 3840 R C 2.149 178.520 176.300 0.119 0.000 1.131 3840 R CA 1.877 58.047 56.100 0.115 0.000 0.960 3840 R CB -0.911 29.438 30.300 0.081 0.000 0.856 3840 R HN 0.434 nan 8.270 nan 0.000 0.436 3841 A N -0.474 122.443 122.820 0.162 0.000 1.898 3841 A HA -0.122 4.198 4.320 0.000 0.000 0.216 3841 A C 2.162 179.826 177.584 0.133 0.000 1.181 3841 A CA 1.356 53.487 52.037 0.156 0.000 0.620 3841 A CB -0.839 18.292 19.000 0.218 0.000 0.819 3841 A HN 0.479 nan 8.150 nan 0.000 0.442 3842 F N 0.924 120.894 119.950 0.034 0.000 2.102 3842 F HA -0.063 4.465 4.527 0.000 0.000 0.298 3842 F C 2.546 178.281 175.800 -0.109 0.000 1.105 3842 F CA 1.391 59.293 58.000 -0.164 0.000 1.239 3842 F CB -0.375 38.492 39.000 -0.221 0.000 0.991 3842 F HN 0.246 nan 8.300 nan 0.000 0.474 3843 A N -0.115 122.783 122.820 0.130 0.000 1.902 3843 A HA -0.200 4.120 4.320 0.000 0.000 0.217 3843 A C 1.895 179.431 177.584 -0.081 0.000 1.181 3843 A CA 2.070 54.122 52.037 0.026 0.000 0.623 3843 A CB -0.967 18.076 19.000 0.071 0.000 0.818 3843 A HN 0.456 nan 8.150 nan 0.000 0.443 3844 D N -0.151 120.217 120.400 -0.053 0.000 2.183 3844 D HA 0.060 4.700 4.640 0.000 0.000 0.203 3844 D C 2.126 178.359 176.300 -0.113 0.000 0.969 3844 D CA 1.229 55.189 54.000 -0.066 0.000 0.842 3844 D CB -0.357 40.427 40.800 -0.026 0.000 0.957 3844 D HN 0.419 nan 8.370 nan 0.000 0.484 3845 A N 0.586 123.308 122.820 -0.163 0.000 2.019 3845 A HA -0.088 4.232 4.320 0.000 0.000 0.219 3845 A C 2.229 179.663 177.584 -0.250 0.000 1.164 3845 A CA 0.651 52.564 52.037 -0.207 0.000 0.644 3845 A CB -0.663 18.172 19.000 -0.274 0.000 0.805 3845 A HN 0.222 nan 8.150 nan 0.000 0.449 3846 L N -0.836 120.207 121.223 -0.300 0.000 2.265 3846 L HA -0.162 4.178 4.340 0.000 0.000 0.215 3846 L C 2.393 179.160 176.870 -0.172 0.000 1.117 3846 L CA 1.401 56.083 54.840 -0.263 0.000 0.782 3846 L CB -0.414 41.488 42.059 -0.262 0.000 0.914 3846 L HN 0.534 nan 8.230 nan 0.000 0.441 3847 E N -0.001 120.112 120.200 -0.145 0.000 2.338 3847 E HA -0.199 4.151 4.350 0.000 0.000 0.197 3847 E C 2.218 178.760 176.600 -0.097 0.000 1.007 3847 E CA 0.495 56.829 56.400 -0.111 0.000 0.849 3847 E CB 0.155 29.799 29.700 -0.093 0.000 0.774 3847 E HN 0.276 nan 8.360 nan 0.000 0.506 3848 V N 0.854 120.706 119.914 -0.103 0.000 2.568 3848 V HA -0.247 3.873 4.120 0.000 0.000 0.253 3848 V C 1.840 177.887 176.094 -0.078 0.000 1.072 3848 V CA 1.198 63.447 62.300 -0.086 0.000 1.084 3848 V CB -0.277 31.492 31.823 -0.090 0.000 0.676 3848 V HN 0.331 nan 8.190 nan 0.000 0.469 3849 I N 1.142 121.660 120.570 -0.086 0.000 2.162 3849 I HA -0.019 4.151 4.170 0.000 0.000 0.238 3849 I C 0.170 176.248 176.117 -0.065 0.000 1.076 3849 I CA 1.573 62.829 61.300 -0.074 0.000 1.353 3849 I CB -2.838 35.115 38.000 -0.077 0.000 1.063 3849 I HN 0.334 nan 8.210 nan 0.000 0.408 3850 P HA -0.163 nan 4.420 nan 0.000 0.220 3850 P C 1.740 179.007 177.300 -0.054 0.000 1.148 3850 P CA 1.472 64.536 63.100 -0.059 0.000 0.803 3850 P CB -0.132 31.529 31.700 -0.066 0.000 0.782 3851 R N -0.186 120.280 120.500 -0.057 0.000 2.062 3851 R HA -0.046 4.294 4.340 0.000 0.000 0.229 3851 R C 2.075 178.346 176.300 -0.048 0.000 1.128 3851 R CA 1.895 57.965 56.100 -0.050 0.000 0.960 3851 R CB -0.732 29.537 30.300 -0.051 0.000 0.855 3851 R HN 0.044 nan 8.270 nan 0.000 0.432 3852 T N 1.287 115.810 114.554 -0.052 0.000 2.904 3852 T HA -0.002 4.348 4.350 0.000 0.000 0.267 3852 T C 1.727 176.395 174.700 -0.053 0.000 1.059 3852 T CA 0.791 62.861 62.100 -0.050 0.000 1.137 3852 T CB -0.003 68.835 68.868 -0.050 0.000 0.879 3852 T HN 0.146 nan 8.240 nan 0.000 0.467 3853 L N 0.814 122.003 121.223 -0.056 0.000 2.046 3853 L HA -0.084 4.257 4.340 0.000 0.000 0.208 3853 L C 3.021 179.851 176.870 -0.066 0.000 1.077 3853 L CA 1.272 56.074 54.840 -0.063 0.000 0.747 3853 L CB -0.616 41.407 42.059 -0.059 0.000 0.896 3853 L HN 0.236 nan 8.230 nan 0.000 0.432 3854 A N -0.456 122.331 122.820 -0.055 0.000 1.930 3854 A HA -0.246 4.074 4.320 0.000 0.000 0.217 3854 A C 2.260 179.815 177.584 -0.049 0.000 1.175 3854 A CA 1.722 53.729 52.037 -0.050 0.000 0.627 3854 A CB -0.476 18.500 19.000 -0.040 0.000 0.815 3854 A HN 0.477 nan 8.150 nan 0.000 0.443 3855 E N 0.041 120.213 120.200 -0.046 0.000 2.058 3855 E HA -0.239 4.111 4.350 0.000 0.000 0.194 3855 E C 1.603 178.175 176.600 -0.047 0.000 0.997 3855 E CA 1.457 57.832 56.400 -0.042 0.000 0.801 3855 E CB -0.155 29.521 29.700 -0.040 0.000 0.746 3855 E HN 0.555 nan 8.360 nan 0.000 0.450 3856 N N 0.265 118.932 118.700 -0.054 0.000 2.244 3856 N HA -0.102 4.638 4.740 0.000 0.000 0.183 3856 N C 1.436 176.903 175.510 -0.072 0.000 1.016 3856 N CA 1.125 54.139 53.050 -0.060 0.000 0.866 3856 N CB -0.283 38.165 38.487 -0.065 0.000 0.980 3856 N HN 0.224 nan 8.380 nan 0.000 0.430 3857 A N 0.011 122.782 122.820 -0.081 0.000 2.119 3857 A HA 0.284 4.604 4.320 0.000 0.000 0.217 3857 A C 1.476 179.021 177.584 -0.065 0.000 1.153 3857 A CA 1.107 53.088 52.037 -0.093 0.000 0.692 3857 A CB -0.455 18.483 19.000 -0.104 0.000 0.799 3857 A HN 0.332 nan 8.150 nan 0.000 0.458 3858 G N -1.413 107.357 108.800 -0.051 0.000 2.149 3858 G HA2 -0.181 3.779 3.960 0.000 0.000 0.235 3858 G HA3 -0.181 3.779 3.960 0.000 0.000 0.235 3858 G C -0.064 174.817 174.900 -0.031 0.000 1.018 3858 G CA 0.272 45.350 45.100 -0.037 0.000 0.728 3858 G HN 0.447 nan 8.290 nan 0.000 0.508 3859 L N -0.064 121.138 121.223 -0.034 0.000 2.375 3859 L HA 0.518 4.859 4.340 0.000 0.000 0.268 3859 L C 0.270 177.126 176.870 -0.024 0.000 1.058 3859 L CA -1.070 53.753 54.840 -0.027 0.000 0.803 3859 L CB 1.056 43.097 42.059 -0.030 0.000 1.212 3859 L HN 0.081 nan 8.230 nan 0.000 0.451 3860 D N 1.121 121.509 120.400 -0.019 0.000 2.359 3860 D HA 0.189 4.829 4.640 0.000 0.000 0.250 3860 D C 0.807 177.096 176.300 -0.019 0.000 1.264 3860 D CA -0.012 53.978 54.000 -0.018 0.000 0.911 3860 D CB 1.638 42.430 40.800 -0.014 0.000 1.056 3860 D HN 0.599 nan 8.370 nan 0.000 0.499 3861 A N 4.635 127.442 122.820 -0.022 0.000 1.986 3861 A HA -0.188 4.132 4.320 0.000 0.000 0.220 3861 A C 2.254 179.825 177.584 -0.022 0.000 1.171 3861 A CA 0.964 52.986 52.037 -0.025 0.000 0.640 3861 A CB -0.391 18.592 19.000 -0.029 0.000 0.811 3861 A HN 0.747 nan 8.150 nan 0.000 0.451 3862 I N -0.924 119.635 120.570 -0.019 0.000 2.163 3862 I HA -0.253 3.918 4.170 0.000 0.000 0.240 3862 I C 2.583 178.692 176.117 -0.013 0.000 1.081 3862 I CA 1.836 63.126 61.300 -0.016 0.000 1.353 3862 I CB -0.350 37.642 38.000 -0.013 0.000 1.054 3862 I HN 0.523 nan 8.210 nan 0.000 0.407 3863 E N 1.229 121.422 120.200 -0.012 0.000 2.110 3863 E HA -0.222 4.128 4.350 0.000 0.000 0.193 3863 E C 2.297 178.892 176.600 -0.009 0.000 0.988 3863 E CA 1.194 57.589 56.400 -0.009 0.000 0.804 3863 E CB 0.196 29.892 29.700 -0.007 0.000 0.745 3863 E HN 0.309 nan 8.360 nan 0.000 0.458 3864 I N 0.752 121.315 120.570 -0.012 0.000 2.113 3864 I HA -0.242 3.928 4.170 0.000 0.000 0.238 3864 I C 2.393 178.501 176.117 -0.014 0.000 1.070 3864 I CA 0.873 62.165 61.300 -0.012 0.000 1.332 3864 I CB -1.085 36.903 38.000 -0.018 0.000 1.044 3864 I HN 0.257 nan 8.210 nan 0.000 0.402 3865 L N 0.124 121.335 121.223 -0.020 0.000 2.083 3865 L HA -0.140 4.200 4.340 0.000 0.000 0.209 3865 L C 2.545 179.404 176.870 -0.018 0.000 1.083 3865 L CA 1.279 56.104 54.840 -0.025 0.000 0.752 3865 L CB -0.999 41.042 42.059 -0.029 0.000 0.899 3865 L HN 0.003 nan 8.230 nan 0.000 0.433 3866 V N -0.907 119.000 119.914 -0.012 0.000 2.283 3866 V HA -0.236 3.884 4.120 0.000 0.000 0.243 3866 V C 2.401 178.495 176.094 0.001 0.000 1.039 3866 V CA 1.504 63.800 62.300 -0.006 0.000 1.016 3866 V CB -0.435 31.385 31.823 -0.005 0.000 0.650 3866 V HN 0.397 nan 8.190 nan 0.000 0.449 3867 K N -0.388 120.013 120.400 0.002 0.000 2.155 3867 K HA -0.053 4.267 4.320 0.000 0.000 0.203 3867 K C 2.015 178.624 176.600 0.016 0.000 1.052 3867 K CA 0.968 57.260 56.287 0.008 0.000 0.948 3867 K CB -0.145 32.359 32.500 0.006 0.000 0.728 3867 K HN 0.306 nan 8.250 nan 0.000 0.448 3868 V N 1.148 121.071 119.914 0.014 0.000 2.302 3868 V HA -0.179 3.942 4.120 0.000 0.000 0.243 3868 V C 2.372 178.494 176.094 0.047 0.000 1.036 3868 V CA 1.491 63.807 62.300 0.027 0.000 1.020 3868 V CB -0.403 31.424 31.823 0.008 0.000 0.657 3868 V HN 0.281 nan 8.190 nan 0.000 0.453 3869 R N 0.364 120.874 120.500 0.017 0.000 2.081 3869 R HA -0.170 4.170 4.340 0.000 0.000 0.235 3869 R C 2.258 178.592 176.300 0.057 0.000 1.131 3869 R CA 1.771 57.882 56.100 0.018 0.000 0.960 3869 R CB -0.447 29.844 30.300 -0.016 0.000 0.856 3869 R HN 0.479 nan 8.270 nan 0.000 0.436 3870 A N 0.629 123.471 122.820 0.037 0.000 1.898 3870 A HA -0.066 4.255 4.320 0.000 0.000 0.216 3870 A C 2.350 179.958 177.584 0.040 0.000 1.181 3870 A CA 1.595 53.651 52.037 0.033 0.000 0.620 3870 A CB -0.765 18.246 19.000 0.018 0.000 0.819 3870 A HN 0.538 nan 8.150 nan 0.000 0.442 3871 A N -1.196 121.650 122.820 0.044 0.000 1.969 3871 A HA -0.142 4.178 4.320 0.000 0.000 0.218 3871 A C 1.981 179.590 177.584 0.042 0.000 1.169 3871 A CA 2.013 54.071 52.037 0.036 0.000 0.635 3871 A CB -0.802 18.218 19.000 0.033 0.000 0.810 3871 A HN 0.777 nan 8.150 nan 0.000 0.445 3872 H N -0.275 118.789 119.070 -0.008 0.000 2.326 3872 H HA 0.082 4.639 4.556 0.001 0.000 0.301 3872 H C 2.208 177.529 175.328 -0.011 0.000 1.081 3872 H CA 1.878 57.920 56.048 -0.010 0.000 1.334 3872 H CB -0.148 29.606 29.762 -0.014 0.000 1.385 3872 H HN 0.390 nan 8.280 nan 0.000 0.504 3873 A N -0.716 122.171 122.820 0.111 0.000 1.933 3873 A HA -0.158 4.163 4.320 0.000 0.000 0.218 3873 A C 2.541 180.120 177.584 -0.009 0.000 1.175 3873 A CA 1.834 53.905 52.037 0.057 0.000 0.628 3873 A CB -0.955 18.083 19.000 0.064 0.000 0.814 3873 A HN 0.500 nan 8.150 nan 0.000 0.444 3874 S N -0.530 115.163 115.700 -0.011 0.000 2.356 3874 S HA -0.077 4.394 4.470 0.000 0.000 0.219 3874 S C 1.875 176.451 174.600 -0.040 0.000 1.036 3874 S CA 1.130 59.319 58.200 -0.018 0.000 0.965 3874 S CB -0.365 62.831 63.200 -0.007 0.000 0.864 3874 S HN 0.643 nan 8.310 nan 0.000 0.471 3875 N N 0.695 119.361 118.700 -0.055 0.000 2.368 3875 N HA 0.247 4.988 4.740 0.000 0.000 0.176 3875 N C 1.001 176.446 175.510 -0.108 0.000 1.021 3875 N CA 0.942 53.953 53.050 -0.065 0.000 0.888 3875 N CB 0.601 39.059 38.487 -0.048 0.000 0.995 3875 N HN 0.576 nan 8.380 nan 0.000 0.437 3876 G N 1.174 109.854 108.800 -0.200 0.000 2.373 3876 G HA2 -0.213 3.747 3.960 0.000 0.000 0.634 3876 G HA3 -0.213 3.747 3.960 0.000 0.000 0.634 3876 G C -0.018 174.595 174.900 -0.478 0.000 1.267 3876 G CA 0.060 44.987 45.100 -0.290 0.000 1.008 3876 G HN 0.283 nan 8.290 nan 0.000 0.497 3877 N N -0.648 117.835 118.700 -0.362 0.000 2.405 3877 N HA 0.063 4.803 4.740 0.000 0.000 0.175 3877 N C 1.252 176.740 175.510 -0.037 0.000 1.051 3877 N CA 1.261 54.193 53.050 -0.197 0.000 0.899 3877 N CB 0.145 38.635 38.487 0.005 0.000 1.000 3877 N HN 0.623 nan 8.380 nan 0.000 0.451 3878 K N -0.507 119.861 120.400 -0.054 0.000 2.414 3878 K HA 0.316 4.637 4.320 0.000 0.000 0.204 3878 K C -0.493 176.092 176.600 -0.025 0.000 1.026 3878 K CA -0.140 56.135 56.287 -0.020 0.000 1.108 3878 K CB 0.491 32.982 32.500 -0.014 0.000 0.855 3878 K HN 0.114 nan 8.250 nan 0.000 0.517 3879 C N 0.994 120.265 119.300 -0.048 0.000 2.887 3879 C HA 0.634 5.094 4.460 0.000 0.000 0.240 3879 C C 0.428 175.400 174.990 -0.030 0.000 1.872 3879 C CA -0.654 58.341 59.018 -0.038 0.000 1.626 3879 C CB -0.785 26.923 27.740 -0.054 0.000 3.115 3879 C HN 0.497 nan 8.230 nan 0.000 0.488 3880 A N -0.015 122.805 122.820 -0.000 0.000 5.519 3880 A HA 0.940 5.260 4.320 0.000 0.000 0.158 3880 A C 0.170 177.792 177.584 0.064 0.000 0.860 3880 A CA 0.419 52.479 52.037 0.040 0.000 1.134 3880 A CB -0.396 18.644 19.000 0.066 0.000 2.248 3880 A HN 1.915 nan 8.150 nan 0.000 1.056 3881 G N -1.910 106.945 108.800 0.092 0.000 2.814 3881 G HA2 0.361 4.321 3.960 0.000 0.000 0.677 3881 G HA3 0.361 4.321 3.960 0.000 0.000 0.677 3881 G C -0.684 174.243 174.900 0.045 0.000 1.429 3881 G CA 0.008 45.149 45.100 0.068 0.000 0.868 3881 G HN 2.091 nan 8.290 nan 0.000 0.553 3882 L N 0.419 121.661 121.223 0.031 0.000 2.289 3882 L HA 0.753 5.093 4.340 0.000 0.000 0.285 3882 L C 0.183 177.076 176.870 0.038 0.000 1.049 3882 L CA -0.968 53.886 54.840 0.023 0.000 0.804 3882 L CB 1.542 43.602 42.059 0.001 0.000 1.195 3882 L HN 0.738 nan 8.230 nan 0.000 0.428 3883 N N 3.026 121.755 118.700 0.049 0.000 2.546 3883 N HA 0.223 4.963 4.740 0.000 0.000 0.238 3883 N C 0.805 176.352 175.510 0.061 0.000 0.984 3883 N CA -0.219 52.886 53.050 0.092 0.000 0.935 3883 N CB 1.139 39.692 38.487 0.110 0.000 1.122 3883 N HN 0.530 nan 8.380 nan 0.000 0.510 3884 V N 1.524 121.438 119.914 -0.000 0.000 2.970 3884 V HA -0.004 4.117 4.120 0.000 0.000 0.260 3884 V C 1.410 177.408 176.094 -0.159 0.000 1.100 3884 V CA 1.229 63.456 62.300 -0.122 0.000 1.122 3884 V CB -1.158 30.521 31.823 -0.239 0.000 0.721 3884 V HN 0.453 nan 8.190 nan 0.000 0.483 3885 F N 2.542 122.490 119.950 -0.004 0.000 2.259 3885 F HA -0.039 4.489 4.527 0.001 0.000 0.298 3885 F C 2.661 178.459 175.800 -0.003 0.000 1.088 3885 F CA 1.847 59.846 58.000 -0.003 0.000 1.358 3885 F CB -0.368 38.630 39.000 -0.002 0.000 1.040 3885 F HN 0.387 nan 8.300 nan 0.000 0.505 3886 T N -4.094 110.560 114.554 0.167 0.000 3.001 3886 T HA 0.377 4.727 4.350 0.000 0.000 0.251 3886 T C 1.475 176.202 174.700 0.045 0.000 1.040 3886 T CA 0.407 62.561 62.100 0.089 0.000 0.985 3886 T CB 0.320 69.232 68.868 0.074 0.000 1.011 3886 T HN 0.348 nan 8.240 nan 0.000 0.509 3887 G N 1.075 109.893 108.800 0.030 0.000 2.248 3887 G HA2 0.268 4.229 3.960 0.000 0.000 0.263 3887 G HA3 0.268 4.229 3.960 0.000 0.000 0.263 3887 G C 0.053 174.957 174.900 0.007 0.000 1.082 3887 G CA -0.227 44.875 45.100 0.003 0.000 0.863 3887 G HN 1.415 nan 8.290 nan 0.000 0.495 3888 A N -1.594 121.236 122.820 0.016 0.000 2.608 3888 A HA 0.875 5.195 4.320 0.000 0.000 0.292 3888 A C 0.021 177.618 177.584 0.021 0.000 1.066 3888 A CA 0.122 52.168 52.037 0.016 0.000 0.676 3888 A CB 1.481 20.491 19.000 0.018 0.000 1.277 3888 A HN 1.782 nan 8.150 nan 0.000 0.413 3889 V N 1.812 121.737 119.914 0.018 0.000 2.599 3889 V HA 0.400 4.521 4.120 0.000 0.000 0.300 3889 V C 0.008 176.117 176.094 0.026 0.000 1.034 3889 V CA 1.008 63.321 62.300 0.023 0.000 1.115 3889 V CB 0.451 32.287 31.823 0.021 0.000 0.934 3889 V HN 0.916 nan 8.190 nan 0.000 0.485 3890 E N 3.794 124.013 120.200 0.031 0.000 2.390 3890 E HA 0.376 4.726 4.350 0.000 0.000 0.242 3890 E C -1.449 175.167 176.600 0.026 0.000 0.907 3890 E CA -0.681 55.736 56.400 0.028 0.000 0.884 3890 E CB 0.856 30.578 29.700 0.036 0.000 1.788 3890 E HN 0.699 nan 8.360 nan 0.000 0.427 3891 D N 1.346 121.759 120.400 0.021 0.000 2.460 3891 D HA 0.182 4.822 4.640 0.000 0.000 0.232 3891 D C 0.812 177.125 176.300 0.021 0.000 1.079 3891 D CA -0.275 53.734 54.000 0.016 0.000 0.864 3891 D CB 0.693 41.497 40.800 0.007 0.000 1.048 3891 D HN 0.187 nan 8.370 nan 0.000 0.523 3892 M N 1.857 121.474 119.600 0.028 0.000 2.175 3892 M HA -0.120 4.360 4.480 0.000 0.000 0.264 3892 M C 2.306 178.618 176.300 0.020 0.000 1.063 3892 M CA 0.670 55.989 55.300 0.031 0.000 1.119 3892 M CB -1.127 31.497 32.600 0.040 0.000 1.377 3892 M HN 0.526 nan 8.290 nan 0.000 0.415 3893 C N 0.673 119.982 119.300 0.015 0.000 2.453 3893 C HA -0.158 4.302 4.460 0.000 0.000 0.277 3893 C C 2.701 177.693 174.990 0.003 0.000 1.262 3893 C CA 1.297 60.320 59.018 0.008 0.000 1.718 3893 C CB -0.894 26.849 27.740 0.004 0.000 2.031 3893 C HN 0.634 nan 8.230 nan 0.000 0.480 3894 E N 0.128 120.329 120.200 0.002 0.000 2.118 3894 E HA -0.197 4.153 4.350 0.000 0.000 0.195 3894 E C 1.342 177.938 176.600 -0.006 0.000 0.992 3894 E CA 1.295 57.694 56.400 -0.002 0.000 0.804 3894 E CB -0.182 29.517 29.700 -0.002 0.000 0.741 3894 E HN 0.659 nan 8.360 nan 0.000 0.458 3895 N N -0.456 118.242 118.700 -0.004 0.000 2.398 3895 N HA 0.012 4.753 4.740 0.000 0.000 0.188 3895 N C 0.682 176.182 175.510 -0.017 0.000 1.122 3895 N CA 0.889 53.932 53.050 -0.013 0.000 0.866 3895 N CB 1.021 39.502 38.487 -0.010 0.000 0.970 3895 N HN 0.322 nan 8.380 nan 0.000 0.462 3896 G N 0.617 109.412 108.800 -0.007 0.000 2.160 3896 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 3896 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 3896 G C 0.001 174.901 174.900 0.001 0.000 1.008 3896 G CA 0.017 45.113 45.100 -0.006 0.000 0.724 3896 G HN 0.191 nan 8.290 nan 0.000 0.514 3897 V N 1.388 121.309 119.914 0.011 0.000 2.276 3897 V HA 0.473 4.593 4.120 0.000 0.000 0.249 3897 V C 0.855 176.965 176.094 0.027 0.000 1.160 3897 V CA 0.173 62.489 62.300 0.027 0.000 1.042 3897 V CB 0.444 32.294 31.823 0.046 0.000 1.224 3897 V HN 1.041 nan 8.190 nan 0.000 0.496 3898 V N 1.523 121.450 119.914 0.022 0.000 2.962 3898 V HA 0.787 4.907 4.120 0.000 0.000 0.313 3898 V C -0.703 175.403 176.094 0.020 0.000 1.099 3898 V CA -0.876 61.436 62.300 0.020 0.000 0.971 3898 V CB 2.558 34.390 31.823 0.015 0.000 1.028 3898 V HN 0.629 nan 8.190 nan 0.000 0.430 3899 E N 2.299 122.510 120.200 0.018 0.000 2.293 3899 E HA 0.533 4.883 4.350 0.000 0.000 0.270 3899 E C -2.947 173.661 176.600 0.015 0.000 0.879 3899 E CA -2.245 54.165 56.400 0.017 0.000 0.756 3899 E CB 2.659 32.369 29.700 0.016 0.000 1.208 3899 E HN 0.572 nan 8.360 nan 0.000 0.428 3900 P HA -0.083 nan 4.420 nan 0.000 0.266 3900 P C 0.455 177.763 177.300 0.013 0.000 1.195 3900 P CA -0.091 63.017 63.100 0.012 0.000 0.768 3900 P CB 0.538 32.245 31.700 0.011 0.000 0.838 3901 L N 3.960 125.191 121.223 0.014 0.000 2.079 3901 L HA -0.168 4.172 4.340 0.000 0.000 0.210 3901 L C 2.281 179.161 176.870 0.016 0.000 1.081 3901 L CA 1.939 56.788 54.840 0.016 0.000 0.752 3901 L CB -0.843 41.226 42.059 0.017 0.000 0.896 3901 L HN 0.217 nan 8.230 nan 0.000 0.433 3902 R N -0.783 119.725 120.500 0.014 0.000 2.127 3902 R HA -0.126 4.214 4.340 0.000 0.000 0.238 3902 R C 2.010 178.318 176.300 0.013 0.000 1.134 3902 R CA 1.948 58.056 56.100 0.014 0.000 0.975 3902 R CB -1.008 29.299 30.300 0.012 0.000 0.865 3902 R HN 0.322 nan 8.270 nan 0.000 0.447 3903 V N 1.059 120.980 119.914 0.012 0.000 2.287 3903 V HA -0.262 3.858 4.120 0.000 0.000 0.248 3903 V C 2.139 178.239 176.094 0.010 0.000 1.053 3903 V CA 2.068 64.374 62.300 0.010 0.000 1.027 3903 V CB -0.406 31.422 31.823 0.009 0.000 0.646 3903 V HN 0.282 nan 8.190 nan 0.000 0.447 3904 K N 0.265 120.672 120.400 0.012 0.000 2.186 3904 K HA -0.034 4.286 4.320 0.000 0.000 0.202 3904 K C 2.268 178.880 176.600 0.021 0.000 1.052 3904 K CA 1.636 57.930 56.287 0.012 0.000 0.965 3904 K CB -0.685 31.823 32.500 0.013 0.000 0.746 3904 K HN 0.723 nan 8.250 nan 0.000 0.457 3905 T N -1.331 113.237 114.554 0.024 0.000 2.978 3905 T HA -0.081 4.270 4.350 0.000 0.000 0.262 3905 T C 2.018 176.735 174.700 0.028 0.000 1.063 3905 T CA 0.700 62.817 62.100 0.030 0.000 1.140 3905 T CB 0.086 68.970 68.868 0.026 0.000 0.886 3905 T HN -0.046 nan 8.240 nan 0.000 0.470 3906 Q N 1.897 121.710 119.800 0.022 0.000 2.083 3906 Q HA 0.266 4.606 4.340 0.000 0.000 0.198 3906 Q C 2.434 178.447 176.000 0.021 0.000 0.969 3906 Q CA 1.696 57.511 55.803 0.020 0.000 0.838 3906 Q CB -0.982 27.765 28.738 0.015 0.000 0.900 3906 Q HN 0.616 nan 8.270 nan 0.000 0.436 3907 A N 0.358 123.189 122.820 0.018 0.000 1.917 3907 A HA -0.191 4.130 4.320 0.000 0.000 0.219 3907 A C 2.121 179.721 177.584 0.027 0.000 1.182 3907 A CA 1.685 53.730 52.037 0.013 0.000 0.633 3907 A CB -0.808 18.192 19.000 0.001 0.000 0.819 3907 A HN 0.487 nan 8.150 nan 0.000 0.448 3908 I N -1.002 119.595 120.570 0.045 0.000 2.163 3908 I HA -0.256 3.915 4.170 0.000 0.000 0.240 3908 I C 2.848 179.009 176.117 0.074 0.000 1.081 3908 I CA 1.205 62.556 61.300 0.085 0.000 1.353 3908 I CB -0.399 37.661 38.000 0.100 0.000 1.054 3908 I HN 0.322 nan 8.210 nan 0.000 0.407 3909 Q N 0.550 120.380 119.800 0.050 0.000 2.002 3909 Q HA -0.178 4.163 4.340 0.000 0.000 0.204 3909 Q C 2.495 178.519 176.000 0.041 0.000 0.988 3909 Q CA 2.045 57.873 55.803 0.041 0.000 0.843 3909 Q CB -0.541 28.215 28.738 0.030 0.000 0.908 3909 Q HN 0.410 nan 8.270 nan 0.000 0.420 3910 S N 0.847 116.568 115.700 0.034 0.000 2.356 3910 S HA -0.131 4.339 4.470 0.000 0.000 0.223 3910 S C 1.975 176.597 174.600 0.037 0.000 1.032 3910 S CA 1.184 59.402 58.200 0.030 0.000 1.005 3910 S CB -0.311 62.902 63.200 0.022 0.000 0.867 3910 S HN 0.524 nan 8.310 nan 0.000 0.449 3911 A N 1.521 124.364 122.820 0.038 0.000 1.873 3911 A HA 0.139 4.459 4.320 0.000 0.000 0.215 3911 A C 2.357 179.984 177.584 0.070 0.000 1.186 3911 A CA 1.720 53.781 52.037 0.040 0.000 0.616 3911 A CB -1.129 17.883 19.000 0.020 0.000 0.823 3911 A HN 0.511 nan 8.150 nan 0.000 0.442 3912 A N -0.524 122.353 122.820 0.096 0.000 1.902 3912 A HA -0.128 4.192 4.320 0.000 0.000 0.217 3912 A C 1.941 179.589 177.584 0.106 0.000 1.181 3912 A CA 1.672 53.786 52.037 0.127 0.000 0.623 3912 A CB -0.406 18.663 19.000 0.115 0.000 0.818 3912 A HN 0.438 nan 8.150 nan 0.000 0.443 3913 E N -0.209 120.035 120.200 0.074 0.000 2.150 3913 E HA -0.113 4.237 4.350 0.000 0.000 0.193 3913 E C 2.294 178.929 176.600 0.059 0.000 0.985 3913 E CA 1.190 57.626 56.400 0.060 0.000 0.814 3913 E CB -0.494 29.232 29.700 0.043 0.000 0.752 3913 E HN 0.556 nan 8.360 nan 0.000 0.466 3914 S N 0.432 116.166 115.700 0.057 0.000 2.355 3914 S HA -0.127 4.344 4.470 0.000 0.000 0.222 3914 S C 2.194 176.831 174.600 0.062 0.000 1.031 3914 S CA 2.154 60.384 58.200 0.050 0.000 0.993 3914 S CB -0.285 62.938 63.200 0.039 0.000 0.859 3914 S HN 0.464 nan 8.310 nan 0.000 0.453 3915 T N -0.720 113.884 114.554 0.083 0.000 2.904 3915 T HA 0.040 4.391 4.350 0.000 0.000 0.267 3915 T C 1.737 176.511 174.700 0.123 0.000 1.059 3915 T CA 1.357 63.522 62.100 0.107 0.000 1.137 3915 T CB -0.501 68.456 68.868 0.148 0.000 0.879 3915 T HN 0.606 nan 8.240 nan 0.000 0.467 3916 E N 0.784 121.060 120.200 0.127 0.000 2.051 3916 E HA -0.165 4.185 4.350 0.000 0.000 0.192 3916 E C 2.253 178.890 176.600 0.062 0.000 0.991 3916 E CA 1.166 57.626 56.400 0.101 0.000 0.799 3916 E CB -0.301 29.456 29.700 0.094 0.000 0.748 3916 E HN 0.580 nan 8.360 nan 0.000 0.449 3917 M N 0.487 120.121 119.600 0.056 0.000 2.080 3917 M HA -0.202 4.278 4.480 0.000 0.000 0.260 3917 M C 2.170 178.494 176.300 0.041 0.000 1.068 3917 M CA 1.496 56.821 55.300 0.042 0.000 1.109 3917 M CB -0.073 32.551 32.600 0.039 0.000 1.342 3917 M HN 0.206 nan 8.290 nan 0.000 0.405 3918 L N 0.146 121.398 121.223 0.048 0.000 2.042 3918 L HA -0.252 4.088 4.340 0.000 0.000 0.210 3918 L C 2.360 179.253 176.870 0.038 0.000 1.076 3918 L CA 1.216 56.083 54.840 0.046 0.000 0.749 3918 L CB -0.727 41.359 42.059 0.045 0.000 0.893 3918 L HN 0.416 nan 8.230 nan 0.000 0.432 3919 L N -0.726 120.520 121.223 0.038 0.000 2.191 3919 L HA -0.185 4.155 4.340 0.000 0.000 0.212 3919 L C 2.685 179.560 176.870 0.008 0.000 1.103 3919 L CA 1.050 55.901 54.840 0.019 0.000 0.769 3919 L CB -0.419 41.647 42.059 0.013 0.000 0.908 3919 L HN 0.218 nan 8.230 nan 0.000 0.438 3920 R N -0.339 120.172 120.500 0.017 0.000 2.189 3920 R HA -0.000 4.340 4.340 0.000 0.000 0.218 3920 R C 0.196 176.504 176.300 0.014 0.000 1.074 3920 R CA 0.403 56.512 56.100 0.015 0.000 0.991 3920 R CB -0.073 30.239 30.300 0.021 0.000 0.883 3920 R HN 0.152 nan 8.270 nan 0.000 0.457 3921 I N 2.152 122.734 120.570 0.020 0.000 2.416 3921 I HA -0.053 4.118 4.170 0.000 0.000 0.288 3921 I C 0.593 176.722 176.117 0.021 0.000 1.051 3921 I CA 0.217 61.530 61.300 0.023 0.000 1.375 3921 I CB 1.233 39.252 38.000 0.032 0.000 1.407 3921 I HN 0.113 nan 8.210 nan 0.000 0.516 3922 D N 2.475 122.886 120.400 0.018 0.000 2.500 3922 D HA 0.145 4.785 4.640 0.000 0.000 0.217 3922 D C -0.262 176.056 176.300 0.030 0.000 1.159 3922 D CA -0.001 54.008 54.000 0.016 0.000 0.828 3922 D CB 0.314 41.114 40.800 -0.000 0.000 1.039 3922 D HN 0.342 nan 8.370 nan 0.000 0.512 3923 D N 0.145 120.567 120.400 0.036 0.000 2.738 3923 D HA 0.248 4.889 4.640 0.000 0.000 0.218 3923 D C -1.656 174.672 176.300 0.047 0.000 1.345 3923 D CA -0.523 53.503 54.000 0.044 0.000 0.943 3923 D CB 2.025 42.841 40.800 0.027 0.000 1.514 3923 D HN -0.183 nan 8.370 nan 0.000 0.585 3924 V N 5.161 125.119 119.914 0.073 0.000 2.378 3924 V HA 0.514 4.634 4.120 0.000 0.000 0.288 3924 V C 0.239 176.377 176.094 0.073 0.000 1.016 3924 V CA -0.572 61.766 62.300 0.063 0.000 0.840 3924 V CB 1.425 33.285 31.823 0.063 0.000 0.994 3924 V HN 0.498 nan 8.190 nan 0.000 0.431 3925 I N 4.579 125.171 120.570 0.036 0.000 2.390 3925 I HA 0.700 4.870 4.170 0.000 0.000 0.283 3925 I C 0.217 176.343 176.117 0.015 0.000 1.016 3925 I CA -0.400 60.915 61.300 0.026 0.000 1.151 3925 I CB 1.616 39.623 38.000 0.012 0.000 1.293 3925 I HN 0.655 nan 8.210 nan 0.000 0.458 3926 A N 5.336 128.170 122.820 0.023 0.000 2.304 3926 A HA 0.857 5.177 4.320 0.000 0.000 0.314 3926 A C 0.002 177.592 177.584 0.010 0.000 1.187 3926 A CA -0.515 51.527 52.037 0.009 0.000 0.810 3926 A CB 1.103 20.106 19.000 0.005 0.000 1.183 3926 A HN 0.752 nan 8.150 nan 0.000 0.487 3927 A N 2.046 124.867 122.820 0.002 0.000 2.351 3927 A HA 0.547 4.867 4.320 0.000 0.000 0.257 3927 A C 0.489 178.076 177.584 0.004 0.000 1.087 3927 A CA -0.099 51.940 52.037 0.002 0.000 0.798 3927 A CB 0.126 19.125 19.000 -0.000 0.000 1.033 3927 A HN 0.925 nan 8.150 nan 0.000 0.488 3928 E N 0.000 120.203 120.200 0.004 0.000 2.725 3928 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3928 E CA 0.000 56.404 56.400 0.006 0.000 0.976 3928 E CB 0.000 29.703 29.700 0.006 0.000 0.812 3928 E HN 0.000 nan 8.360 nan 0.000 0.440