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 1gc3_1_H DATA FIRST_RESID 3501 DATA SEQUENCE MRGLSRRVQA MKPDAVVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 3501 M HA 0.000 nan 4.480 nan 0.000 0.227 3501 M C 0.000 176.302 176.300 0.003 0.000 1.140 3501 M CA 0.000 55.301 55.300 0.002 0.000 0.988 3501 M CB 0.000 32.600 32.600 0.001 0.000 1.302 3502 R N -0.227 120.275 120.500 0.003 0.000 2.710 3502 R HA 0.753 5.093 4.340 -0.000 0.000 0.270 3502 R C -1.092 175.210 176.300 0.004 0.000 1.021 3502 R CA -0.269 55.833 56.100 0.005 0.000 0.889 3502 R CB 2.574 32.877 30.300 0.005 0.000 1.243 3502 R HN 0.943 nan 8.270 nan 0.000 0.464 3503 G N 1.058 109.861 108.800 0.006 0.000 2.326 3503 G HA2 0.077 4.037 3.960 -0.000 0.000 0.413 3503 G HA3 0.077 4.037 3.960 -0.000 0.000 0.413 3503 G C -1.104 173.801 174.900 0.008 0.000 1.444 3503 G CA -1.056 44.047 45.100 0.006 0.000 1.002 3503 G HN 0.310 nan 8.290 nan 0.000 0.649 3504 L N 0.254 121.482 121.223 0.009 0.000 2.505 3504 L HA 0.570 4.910 4.340 -0.000 0.000 0.226 3504 L C 1.537 178.411 176.870 0.006 0.000 1.211 3504 L CA -0.141 54.707 54.840 0.014 0.000 0.828 3504 L CB 0.623 42.694 42.059 0.020 0.000 1.331 3504 L HN 0.888 nan 8.230 nan 0.000 0.513 3505 S N -0.873 114.831 115.700 0.008 0.000 2.617 3505 S HA 0.275 4.745 4.470 -0.000 0.000 0.283 3505 S C 0.649 175.234 174.600 -0.026 0.000 1.189 3505 S CA -0.814 57.378 58.200 -0.014 0.000 1.036 3505 S CB 1.870 65.058 63.200 -0.020 0.000 1.014 3505 S HN 0.628 nan 8.310 nan 0.000 0.522 3506 R N 1.148 121.620 120.500 -0.048 0.000 2.189 3506 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 3506 R C 2.249 178.505 176.300 -0.073 0.000 1.092 3506 R CA 1.213 57.283 56.100 -0.050 0.000 0.989 3506 R CB -0.197 30.071 30.300 -0.052 0.000 0.876 3506 R HN 0.910 nan 8.270 nan 0.000 0.457 3507 R N -0.832 119.585 120.500 -0.138 0.000 2.115 3507 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 3507 R C 1.881 178.137 176.300 -0.072 0.000 1.100 3507 R CA 1.133 57.083 56.100 -0.252 0.000 0.980 3507 R CB -0.477 29.455 30.300 -0.613 0.000 0.875 3507 R HN 0.020 nan 8.270 nan 0.000 0.445 3508 V N 1.204 121.137 119.914 0.031 0.000 2.599 3508 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 3508 V C 2.266 178.415 176.094 0.092 0.000 1.046 3508 V CA 1.354 63.752 62.300 0.164 0.000 1.065 3508 V CB 0.048 31.966 31.823 0.159 0.000 0.703 3508 V HN 0.369 nan 8.190 nan 0.000 0.464 3509 Q N -0.080 119.745 119.800 0.043 0.000 2.016 3509 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 3509 Q C 2.326 178.341 176.000 0.025 0.000 0.978 3509 Q CA 1.706 57.525 55.803 0.027 0.000 0.833 3509 Q CB -0.426 28.318 28.738 0.010 0.000 0.895 3509 Q HN 0.631 nan 8.270 nan 0.000 0.427 3510 A N 1.590 124.419 122.820 0.015 0.000 2.139 3510 A HA -0.142 4.178 4.320 -0.000 0.000 0.221 3510 A C 1.337 178.938 177.584 0.028 0.000 1.159 3510 A CA 0.821 52.864 52.037 0.011 0.000 0.662 3510 A CB -0.860 18.133 19.000 -0.011 0.000 0.796 3510 A HN 0.510 nan 8.150 nan 0.000 0.463 3511 M N -0.851 118.785 119.600 0.060 0.000 2.216 3511 M HA 0.392 4.872 4.480 -0.000 0.000 0.356 3511 M C -0.101 176.212 176.300 0.022 0.000 1.205 3511 M CA -0.383 54.953 55.300 0.061 0.000 1.122 3511 M CB 0.822 33.499 32.600 0.130 0.000 1.571 3511 M HN -0.013 nan 8.290 nan 0.000 0.464 3512 K N 4.360 124.758 120.400 -0.003 0.000 2.298 3512 K HA 0.383 4.703 4.320 -0.000 0.000 0.280 3512 K C -2.179 174.397 176.600 -0.041 0.000 1.032 3512 K CA -1.258 55.016 56.287 -0.022 0.000 0.958 3512 K CB 0.603 33.083 32.500 -0.032 0.000 0.978 3512 K HN 0.587 nan 8.250 nan 0.000 0.472 3513 P HA -0.037 nan 4.420 nan 0.000 0.272 3513 P C -0.792 176.470 177.300 -0.063 0.000 1.248 3513 P CA -0.076 63.000 63.100 -0.039 0.000 0.799 3513 P CB 0.408 32.094 31.700 -0.023 0.000 0.997 3514 D N -1.059 119.306 120.400 -0.059 0.000 2.396 3514 D HA 0.374 5.014 4.640 -0.000 0.000 0.225 3514 D C 1.330 177.599 176.300 -0.051 0.000 1.121 3514 D CA -0.216 53.740 54.000 -0.075 0.000 0.853 3514 D CB 0.768 41.526 40.800 -0.069 0.000 1.043 3514 D HN 0.338 nan 8.370 nan 0.000 0.500 3515 A N 3.251 126.026 122.820 -0.075 0.000 1.916 3515 A HA -0.291 4.029 4.320 -0.000 0.000 0.224 3515 A C 2.144 179.742 177.584 0.023 0.000 1.366 3515 A CA 2.494 54.513 52.037 -0.030 0.000 0.692 3515 A CB -1.004 17.962 19.000 -0.058 0.000 0.841 3515 A HN 0.549 nan 8.150 nan 0.000 0.480 3516 V N -1.241 118.696 119.914 0.038 0.000 2.407 3516 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 3516 V C 2.281 178.404 176.094 0.048 0.000 1.041 3516 V CA 2.189 64.531 62.300 0.070 0.000 1.040 3516 V CB -0.150 31.739 31.823 0.110 0.000 0.671 3516 V HN 0.407 nan 8.190 nan 0.000 0.455 3517 V N 0.670 120.601 119.914 0.029 0.000 2.453 3517 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 3517 V C 2.622 178.726 176.094 0.016 0.000 1.068 3517 V CA 2.509 64.821 62.300 0.019 0.000 1.070 3517 V CB -0.735 31.090 31.823 0.003 0.000 0.664 3517 V HN 0.711 nan 8.190 nan 0.000 0.461 3518 A N 0.034 122.863 122.820 0.014 0.000 1.832 3518 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 3518 A C 2.397 179.995 177.584 0.023 0.000 1.200 3518 A CA 2.502 54.548 52.037 0.014 0.000 0.610 3518 A CB -1.126 17.881 19.000 0.011 0.000 0.842 3518 A HN 0.907 nan 8.150 nan 0.000 0.444 3519 V N -0.675 119.259 119.914 0.032 0.000 2.317 3519 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 3519 V C 1.959 178.074 176.094 0.034 0.000 1.065 3519 V CA 2.676 64.999 62.300 0.038 0.000 1.049 3519 V CB -1.497 30.357 31.823 0.050 0.000 0.651 3519 V HN 0.473 nan 8.190 nan 0.000 0.450 3520 N N 1.696 120.417 118.700 0.035 0.000 2.025 3520 N HA -0.120 4.619 4.740 -0.000 0.000 0.194 3520 N C 2.047 177.570 175.510 0.021 0.000 1.044 3520 N CA 2.455 55.522 53.050 0.030 0.000 0.851 3520 N CB -1.065 37.440 38.487 0.030 0.000 1.036 3520 N HN 0.649 nan 8.380 nan 0.000 0.422 3521 A N 0.883 123.713 122.820 0.017 0.000 1.859 3521 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 3521 A C 1.993 179.585 177.584 0.013 0.000 1.198 3521 A CA 1.956 54.001 52.037 0.013 0.000 0.629 3521 A CB -0.646 18.359 19.000 0.010 0.000 0.830 3521 A HN 0.211 nan 8.150 nan 0.000 0.446 3522 K N 0.352 120.762 120.400 0.016 0.000 2.574 3522 K HA 0.173 4.493 4.320 -0.000 0.000 0.193 3522 K C 1.091 177.702 176.600 0.019 0.000 1.035 3522 K CA 0.891 57.188 56.287 0.017 0.000 0.982 3522 K CB -0.795 31.716 32.500 0.019 0.000 0.795 3522 K HN 0.472 nan 8.250 nan 0.000 0.491 3523 A N 0.516 123.347 122.820 0.019 0.000 3.585 3523 A HA 0.250 4.570 4.320 -0.000 0.000 0.191 3523 A C 0.057 177.650 177.584 0.014 0.000 1.981 3523 A CA 0.180 52.228 52.037 0.019 0.000 1.145 3523 A CB -0.987 18.026 19.000 0.021 0.000 1.217 3523 A HN 0.417 nan 8.150 nan 0.000 0.404 3524 L N -0.711 120.518 121.223 0.011 0.000 2.841 3524 L HA 0.201 4.541 4.340 -0.000 0.000 0.282 3524 L C -0.464 176.410 176.870 0.007 0.000 1.130 3524 L CA 1.334 56.179 54.840 0.008 0.000 0.996 3524 L CB -0.975 41.087 42.059 0.005 0.000 1.364 3524 L HN 0.822 nan 8.230 nan 0.000 0.466 3525 E N 3.294 123.498 120.200 0.007 0.000 2.454 3525 E HA 0.073 4.423 4.350 -0.000 0.000 0.347 3525 E C -0.563 176.042 176.600 0.008 0.000 1.029 3525 E CA 0.440 56.843 56.400 0.006 0.000 1.073 3525 E CB -1.594 28.109 29.700 0.006 0.000 1.225 3525 E HN 0.711 nan 8.360 nan 0.000 0.439 3526 L N -1.276 119.952 121.223 0.008 0.000 1.261 3526 L HA 0.059 4.399 4.340 -0.000 0.000 0.045 3526 L C 2.053 178.928 176.870 0.008 0.000 1.565 3526 L CA 0.077 54.923 54.840 0.010 0.000 1.094 3526 L CB -0.865 41.202 42.059 0.014 0.000 2.175 3526 L HN 0.204 nan 8.230 nan 0.000 0.429 3527 R N 1.586 122.091 120.500 0.008 0.000 2.115 3527 R HA -0.070 4.269 4.340 -0.000 0.000 0.230 3527 R C 1.401 177.703 176.300 0.004 0.000 1.111 3527 R CA 1.398 57.502 56.100 0.006 0.000 0.976 3527 R CB 0.065 30.368 30.300 0.005 0.000 0.870 3527 R HN 0.161 nan 8.270 nan 0.000 0.445 3528 R N 0.895 121.398 120.500 0.004 0.000 4.071 3528 R HA 0.019 4.359 4.340 -0.000 0.000 0.220 3528 R C -0.770 175.532 176.300 0.003 0.000 1.614 3528 R CA 0.177 56.279 56.100 0.003 0.000 1.505 3528 R CB -0.046 30.256 30.300 0.002 0.000 1.384 3528 R HN 0.319 nan 8.270 nan 0.000 0.758 3529 Q N 0.898 120.700 119.800 0.003 0.000 2.447 3529 Q HA 0.035 4.375 4.340 -0.000 0.000 0.174 3529 Q C 0.203 176.205 176.000 0.004 0.000 0.540 3529 Q CA 0.473 56.278 55.803 0.003 0.000 1.057 3529 Q CB -0.504 28.237 28.738 0.005 0.000 1.427 3529 Q HN 0.603 nan 8.270 nan 0.000 0.323 3530 G N 0.089 108.891 108.800 0.002 0.000 4.148 3530 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.221 3530 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.221 3530 G C 0.375 175.277 174.900 0.003 0.000 1.373 3530 G CA 0.596 45.697 45.100 0.002 0.000 0.940 3530 G HN 1.496 nan 8.290 nan 0.000 0.610 3531 V N 2.296 122.213 119.914 0.005 0.000 2.539 3531 V HA 0.425 4.545 4.120 -0.000 0.000 0.300 3531 V C 0.256 176.353 176.094 0.006 0.000 1.019 3531 V CA 0.309 62.613 62.300 0.007 0.000 1.160 3531 V CB 0.717 32.546 31.823 0.010 0.000 0.901 3531 V HN 0.904 nan 8.190 nan 0.000 0.481 3532 D N 6.924 127.326 120.400 0.004 0.000 2.168 3532 D HA 0.489 5.129 4.640 -0.000 0.000 0.246 3532 D C -0.316 175.987 176.300 0.004 0.000 1.050 3532 D CA -0.631 53.370 54.000 0.002 0.000 0.857 3532 D CB 2.102 42.900 40.800 -0.003 0.000 1.169 3532 D HN 0.686 nan 8.370 nan 0.000 0.453 3533 L N -0.700 120.527 121.223 0.006 0.000 2.235 3533 L HA 0.742 5.082 4.340 -0.000 0.000 0.260 3533 L C -0.586 176.285 176.870 0.002 0.000 1.025 3533 L CA -1.263 53.583 54.840 0.011 0.000 0.836 3533 L CB 1.089 43.161 42.059 0.022 0.000 1.395 3533 L HN 0.176 nan 8.230 nan 0.000 0.443 3534 V N 0.487 120.403 119.914 0.002 0.000 2.444 3534 V HA 0.634 4.754 4.120 -0.000 0.000 0.294 3534 V C 0.281 176.379 176.094 0.006 0.000 1.022 3534 V CA -0.458 61.833 62.300 -0.015 0.000 0.850 3534 V CB 1.339 33.135 31.823 -0.045 0.000 0.992 3534 V HN 0.929 nan 8.190 nan 0.000 0.426 3535 A N 6.023 128.846 122.820 0.006 0.000 2.444 3535 A HA 0.657 4.977 4.320 -0.000 0.000 0.332 3535 A C 0.112 177.713 177.584 0.028 0.000 1.430 3535 A CA -0.329 51.722 52.037 0.024 0.000 0.975 3535 A CB -0.093 18.921 19.000 0.022 0.000 1.147 3535 A HN 0.880 nan 8.150 nan 0.000 0.524 3536 L N 2.941 124.195 121.223 0.053 0.000 2.968 3536 L HA 0.106 4.446 4.340 -0.000 0.000 0.235 3536 L C 1.734 178.658 176.870 0.091 0.000 1.323 3536 L CA 0.365 55.245 54.840 0.067 0.000 1.159 3536 L CB -0.553 41.566 42.059 0.101 0.000 1.523 3536 L HN 0.859 nan 8.230 nan 0.000 0.468 3537 T N -3.742 110.861 114.554 0.082 0.000 3.037 3537 T HA 0.201 4.551 4.350 -0.000 0.000 0.252 3537 T C 1.136 175.918 174.700 0.136 0.000 1.073 3537 T CA 0.257 62.418 62.100 0.102 0.000 1.091 3537 T CB 0.155 69.073 68.868 0.085 0.000 0.935 3537 T HN 0.289 nan 8.240 nan 0.000 0.488 3538 A N 1.000 123.882 122.820 0.104 0.000 2.602 3538 A HA 0.383 4.703 4.320 -0.000 0.000 0.257 3538 A C 1.543 179.289 177.584 0.269 0.000 0.973 3538 A CA 0.536 52.639 52.037 0.109 0.000 0.862 3538 A CB -0.553 18.433 19.000 -0.023 0.000 0.855 3538 A HN 0.651 nan 8.150 nan 0.000 0.492 3539 G N 1.748 110.717 108.800 0.281 0.000 2.784 3539 G HA2 0.250 4.210 3.960 -0.000 0.000 0.208 3539 G HA3 0.250 4.210 3.960 -0.000 0.000 0.208 3539 G C 0.425 175.590 174.900 0.443 0.000 1.120 3539 G CA 0.462 45.845 45.100 0.471 0.000 0.774 3539 G HN 0.912 nan 8.290 nan 0.000 0.528 3540 E N 1.644 121.952 120.200 0.180 0.000 2.248 3540 E HA 0.420 4.770 4.350 -0.000 0.000 0.272 3540 E C -2.778 173.750 176.600 -0.119 0.000 1.008 3540 E CA -2.433 54.029 56.400 0.103 0.000 0.856 3540 E CB 1.790 31.547 29.700 0.095 0.000 1.120 3540 E HN -0.022 nan 8.360 nan 0.000 0.397 3541 P HA -0.003 nan 4.420 nan 0.000 0.281 3541 P C 0.178 177.502 177.300 0.040 0.000 1.252 3541 P CA -0.181 62.934 63.100 0.024 0.000 0.778 3541 P CB 0.862 32.819 31.700 0.428 0.000 0.895 3542 D N 2.452 122.758 120.400 -0.157 0.000 2.311 3542 D HA -0.160 4.480 4.640 -0.000 0.000 0.212 3542 D C 0.259 176.395 176.300 -0.273 0.000 0.972 3542 D CA 0.715 54.547 54.000 -0.281 0.000 0.887 3542 D CB -0.578 39.963 40.800 -0.432 0.000 0.915 3542 D HN 0.289 nan 8.370 nan 0.000 0.497 3543 F N 1.191 121.216 119.950 0.125 0.000 2.459 3543 F HA 0.203 4.730 4.527 -0.000 0.000 0.346 3543 F C 1.225 177.160 175.800 0.225 0.000 1.128 3543 F CA -0.733 57.380 58.000 0.188 0.000 1.268 3543 F CB 0.463 39.616 39.000 0.255 0.000 1.161 3543 F HN -0.255 nan 8.300 nan 0.000 0.583 3544 D N 0.592 121.230 120.400 0.396 0.000 2.253 3544 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 3544 D C -0.058 176.397 176.300 0.260 0.000 1.049 3544 D CA -0.317 53.844 54.000 0.267 0.000 0.929 3544 D CB 1.418 42.330 40.800 0.185 0.000 1.176 3544 D HN 0.577 nan 8.370 nan 0.000 0.437 3545 T N 1.307 115.970 114.554 0.182 0.000 2.906 3545 T HA 0.200 4.550 4.350 -0.000 0.000 0.320 3545 T C -2.250 172.331 174.700 -0.198 0.000 1.088 3545 T CA -0.939 61.141 62.100 -0.034 0.000 1.120 3545 T CB 0.445 69.383 68.868 0.118 0.000 1.000 3545 T HN 0.171 nan 8.240 nan 0.000 0.550 3546 P HA 0.128 nan 4.420 nan 0.000 0.268 3546 P C 0.841 178.021 177.300 -0.201 0.000 1.208 3546 P CA -0.255 62.609 63.100 -0.393 0.000 0.777 3546 P CB 0.407 31.753 31.700 -0.591 0.000 0.875 3547 E N 1.218 121.415 120.200 -0.005 0.000 2.268 3547 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 3547 E C 1.678 178.288 176.600 0.017 0.000 0.995 3547 E CA 1.058 57.472 56.400 0.023 0.000 0.836 3547 E CB -0.331 29.407 29.700 0.062 0.000 0.763 3547 E HN 0.611 nan 8.360 nan 0.000 0.491 3548 H N -0.863 118.143 119.070 -0.107 0.000 2.462 3548 H HA 0.013 4.569 4.556 -0.000 0.000 0.292 3548 H C 1.993 177.236 175.328 -0.142 0.000 1.049 3548 H CA 0.973 56.953 56.048 -0.113 0.000 1.334 3548 H CB -0.633 29.053 29.762 -0.126 0.000 1.404 3548 H HN -0.048 nan 8.280 nan 0.000 0.544 3549 V N 1.745 121.296 119.914 -0.605 0.000 2.283 3549 V HA -0.177 3.943 4.120 -0.000 0.000 0.243 3549 V C 2.661 178.591 176.094 -0.272 0.000 1.039 3549 V CA 1.676 63.644 62.300 -0.555 0.000 1.016 3549 V CB -0.495 30.871 31.823 -0.761 0.000 0.650 3549 V HN 0.231 nan 8.190 nan 0.000 0.449 3550 K N -0.085 120.232 120.400 -0.138 0.000 2.059 3550 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 3550 K C 2.300 178.933 176.600 0.054 0.000 1.050 3550 K CA 1.832 58.169 56.287 0.083 0.000 0.927 3550 K CB -0.290 32.270 32.500 0.099 0.000 0.714 3550 K HN 0.405 nan 8.250 nan 0.000 0.447 3551 E N 0.375 120.580 120.200 0.008 0.000 2.058 3551 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 3551 E C 2.050 178.654 176.600 0.007 0.000 0.997 3551 E CA 1.276 57.684 56.400 0.014 0.000 0.801 3551 E CB -0.172 29.538 29.700 0.016 0.000 0.746 3551 E HN 0.329 nan 8.360 nan 0.000 0.450 3552 A N 1.297 124.107 122.820 -0.016 0.000 1.940 3552 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 3552 A C 2.402 180.002 177.584 0.027 0.000 1.176 3552 A CA 2.144 54.179 52.037 -0.004 0.000 0.631 3552 A CB -0.541 18.441 19.000 -0.029 0.000 0.814 3552 A HN 0.295 nan 8.150 nan 0.000 0.446 3553 A N -0.033 122.818 122.820 0.052 0.000 1.858 3553 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 3553 A C 2.224 179.856 177.584 0.079 0.000 1.190 3553 A CA 1.579 53.693 52.037 0.129 0.000 0.617 3553 A CB -0.509 18.661 19.000 0.283 0.000 0.827 3553 A HN 0.568 nan 8.150 nan 0.000 0.443 3554 R N -0.579 119.957 120.500 0.060 0.000 2.094 3554 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 3554 R C 2.455 178.750 176.300 -0.008 0.000 1.137 3554 R CA 1.810 57.925 56.100 0.026 0.000 0.943 3554 R CB -0.436 29.877 30.300 0.022 0.000 0.850 3554 R HN 0.500 nan 8.270 nan 0.000 0.433 3555 R N 0.372 120.860 120.500 -0.019 0.000 2.119 3555 R HA -0.192 4.148 4.340 -0.000 0.000 0.246 3555 R C 2.405 178.641 176.300 -0.106 0.000 1.146 3555 R CA 1.657 57.724 56.100 -0.056 0.000 0.962 3555 R CB -0.556 29.711 30.300 -0.055 0.000 0.863 3555 R HN 0.290 nan 8.270 nan 0.000 0.442 3556 A N 1.194 123.948 122.820 -0.110 0.000 1.877 3556 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 3556 A C 2.225 179.728 177.584 -0.134 0.000 1.186 3556 A CA 1.148 53.066 52.037 -0.199 0.000 0.620 3556 A CB -0.520 18.398 19.000 -0.137 0.000 0.822 3556 A HN 0.170 nan 8.150 nan 0.000 0.443 3557 L N -0.632 120.556 121.223 -0.059 0.000 1.989 3557 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 3557 L C 3.139 179.974 176.870 -0.059 0.000 1.071 3557 L CA 1.277 56.093 54.840 -0.041 0.000 0.749 3557 L CB -0.679 41.371 42.059 -0.015 0.000 0.890 3557 L HN 0.433 nan 8.230 nan 0.000 0.431 3558 A N -0.293 122.491 122.820 -0.060 0.000 1.873 3558 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 3558 A C 2.177 179.713 177.584 -0.080 0.000 1.193 3558 A CA 1.906 53.907 52.037 -0.061 0.000 0.629 3558 A CB -0.661 18.306 19.000 -0.055 0.000 0.826 3558 A HN 0.548 nan 8.150 nan 0.000 0.447 3559 Q N -1.519 118.211 119.800 -0.117 0.000 2.437 3559 Q HA 0.176 4.516 4.340 -0.000 0.000 0.210 3559 Q C 1.005 176.928 176.000 -0.129 0.000 0.972 3559 Q CA 0.414 56.132 55.803 -0.141 0.000 0.903 3559 Q CB -0.221 28.385 28.738 -0.219 0.000 0.967 3559 Q HN 1.003 nan 8.270 nan 0.000 0.486 3560 G N 1.801 110.534 108.800 -0.111 0.000 2.248 3560 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.263 3560 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.263 3560 G C -0.210 174.633 174.900 -0.095 0.000 1.082 3560 G CA -0.258 44.791 45.100 -0.084 0.000 0.863 3560 G HN 0.044 nan 8.290 nan 0.000 0.495 3561 K N 0.960 121.276 120.400 -0.140 0.000 2.307 3561 K HA 0.325 4.644 4.320 -0.000 0.000 0.240 3561 K C 1.213 177.801 176.600 -0.020 0.000 1.214 3561 K CA 0.606 56.808 56.287 -0.142 0.000 1.149 3561 K CB 0.553 32.815 32.500 -0.396 0.000 1.668 3561 K HN 0.518 nan 8.250 nan 0.000 0.314 3562 T N -1.154 113.396 114.554 -0.007 0.000 3.275 3562 T HA 0.172 4.522 4.350 -0.000 0.000 0.298 3562 T C 0.174 174.861 174.700 -0.022 0.000 0.988 3562 T CA -0.380 61.719 62.100 -0.002 0.000 0.936 3562 T CB 0.353 69.206 68.868 -0.025 0.000 1.159 3562 T HN -0.006 nan 8.240 nan 0.000 0.519 3563 K N 0.601 121.008 120.400 0.011 0.000 2.267 3563 K HA 0.391 4.711 4.320 -0.000 0.000 0.236 3563 K C -0.509 176.127 176.600 0.059 0.000 1.030 3563 K CA -0.787 55.493 56.287 -0.012 0.000 0.930 3563 K CB 0.467 32.992 32.500 0.041 0.000 1.182 3563 K HN 0.330 nan 8.250 nan 0.000 0.474 3564 Y N 0.543 120.878 120.300 0.059 0.000 2.632 3564 Y HA 0.064 4.614 4.550 -0.000 0.000 0.329 3564 Y C 0.959 176.900 175.900 0.068 0.000 1.174 3564 Y CA -0.455 57.680 58.100 0.058 0.000 1.469 3564 Y CB 0.569 39.056 38.460 0.045 0.000 1.242 3564 Y HN 0.499 nan 8.280 nan 0.000 0.540 3565 A N 6.252 129.223 122.820 0.252 0.000 2.252 3565 A HA 0.624 4.944 4.320 -0.000 0.000 0.305 3565 A C -2.524 175.126 177.584 0.109 0.000 1.097 3565 A CA -1.916 50.215 52.037 0.158 0.000 0.849 3565 A CB 0.225 19.301 19.000 0.126 0.000 1.142 3565 A HN 0.482 nan 8.150 nan 0.000 0.499 3566 P HA 0.178 nan 4.420 nan 0.000 0.272 3566 P C -1.836 175.482 177.300 0.029 0.000 1.223 3566 P CA -1.151 61.970 63.100 0.035 0.000 0.784 3566 P CB 0.372 32.086 31.700 0.022 0.000 0.923 3567 P HA -0.213 nan 4.420 nan 0.000 0.216 3567 P C 0.734 178.051 177.300 0.027 0.000 1.150 3567 P CA 1.744 64.855 63.100 0.019 0.000 0.843 3567 P CB -0.219 31.485 31.700 0.008 0.000 0.787 3568 A N -0.835 121.998 122.820 0.021 0.000 2.251 3568 A HA 0.489 4.809 4.320 -0.000 0.000 0.209 3568 A C 1.070 178.667 177.584 0.021 0.000 1.187 3568 A CA 0.664 52.715 52.037 0.024 0.000 0.823 3568 A CB -0.856 18.154 19.000 0.017 0.000 0.846 3568 A HN 0.441 nan 8.150 nan 0.000 0.486 3569 G N -0.409 108.399 108.800 0.015 0.000 2.612 3569 G HA2 0.018 3.977 3.960 -0.000 0.000 0.686 3569 G HA3 0.018 3.977 3.960 -0.000 0.000 0.686 3569 G C -0.142 174.733 174.900 -0.042 0.000 1.274 3569 G CA -0.540 44.556 45.100 -0.006 0.000 0.849 3569 G HN 1.271 nan 8.290 nan 0.000 0.595 3570 I N -0.868 119.640 120.570 -0.103 0.000 2.752 3570 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 3570 I C -1.033 174.989 176.117 -0.159 0.000 1.188 3570 I CA -1.438 59.767 61.300 -0.158 0.000 1.427 3570 I CB 0.612 38.396 38.000 -0.360 0.000 1.365 3570 I HN 0.293 nan 8.210 nan 0.000 0.585 3571 P HA -0.184 nan 4.420 nan 0.000 0.213 3571 P C 1.195 178.419 177.300 -0.127 0.000 1.170 3571 P CA 1.668 64.717 63.100 -0.085 0.000 0.902 3571 P CB 0.126 31.801 31.700 -0.042 0.000 0.789 3572 E N -0.687 119.404 120.200 -0.181 0.000 2.114 3572 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 3572 E C 2.012 178.478 176.600 -0.223 0.000 1.008 3572 E CA 1.016 57.294 56.400 -0.203 0.000 0.810 3572 E CB -1.086 28.436 29.700 -0.297 0.000 0.739 3572 E HN 0.192 nan 8.360 nan 0.000 0.456 3573 L N 0.041 121.092 121.223 -0.286 0.000 2.131 3573 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 3573 L C 2.291 179.057 176.870 -0.173 0.000 1.087 3573 L CA 1.093 55.788 54.840 -0.242 0.000 0.767 3573 L CB -0.038 41.867 42.059 -0.256 0.000 0.917 3573 L HN 0.109 nan 8.230 nan 0.000 0.441 3574 R N -0.040 120.383 120.500 -0.128 0.000 2.082 3574 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 3574 R C 2.048 178.305 176.300 -0.072 0.000 1.136 3574 R CA 1.865 57.920 56.100 -0.074 0.000 0.935 3574 R CB -0.368 29.906 30.300 -0.042 0.000 0.842 3574 R HN 0.468 nan 8.270 nan 0.000 0.430 3575 E N 0.481 120.638 120.200 -0.072 0.000 2.065 3575 E HA -0.245 4.105 4.350 -0.000 0.000 0.201 3575 E C 2.023 178.579 176.600 -0.073 0.000 1.016 3575 E CA 1.489 57.855 56.400 -0.056 0.000 0.818 3575 E CB -0.239 29.430 29.700 -0.052 0.000 0.749 3575 E HN 0.389 nan 8.360 nan 0.000 0.453 3576 A N 0.807 123.563 122.820 -0.107 0.000 2.019 3576 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 3576 A C 2.079 179.557 177.584 -0.177 0.000 1.164 3576 A CA 0.877 52.838 52.037 -0.126 0.000 0.644 3576 A CB -0.300 18.614 19.000 -0.142 0.000 0.805 3576 A HN 0.100 nan 8.150 nan 0.000 0.449 3577 L N -0.425 120.673 121.223 -0.209 0.000 2.005 3577 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 3577 L C 2.828 179.591 176.870 -0.177 0.000 1.072 3577 L CA 1.981 56.627 54.840 -0.324 0.000 0.744 3577 L CB -1.088 40.812 42.059 -0.266 0.000 0.895 3577 L HN 0.357 nan 8.230 nan 0.000 0.433 3578 A N -1.345 121.473 122.820 -0.004 0.000 2.186 3578 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 3578 A C 2.168 179.789 177.584 0.061 0.000 1.159 3578 A CA 1.702 53.802 52.037 0.105 0.000 0.680 3578 A CB -0.460 18.578 19.000 0.063 0.000 0.787 3578 A HN 0.483 nan 8.150 nan 0.000 0.467 3579 E N 0.311 120.500 120.200 -0.019 0.000 2.102 3579 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 3579 E C 1.981 178.565 176.600 -0.028 0.000 0.971 3579 E CA 1.244 57.633 56.400 -0.019 0.000 0.821 3579 E CB -0.219 29.457 29.700 -0.040 0.000 0.777 3579 E HN 0.513 nan 8.360 nan 0.000 0.460 3580 K N -0.053 120.279 120.400 -0.114 0.000 1.985 3580 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 3580 K C 2.048 178.619 176.600 -0.048 0.000 1.047 3580 K CA 1.448 57.653 56.287 -0.137 0.000 0.932 3580 K CB -0.657 31.652 32.500 -0.317 0.000 0.716 3580 K HN 0.233 nan 8.250 nan 0.000 0.439 3581 F N 1.187 121.116 119.950 -0.035 0.000 2.141 3581 F HA -0.278 4.249 4.527 -0.000 0.000 0.300 3581 F C 2.706 178.496 175.800 -0.016 0.000 1.079 3581 F CA 1.367 59.354 58.000 -0.022 0.000 1.264 3581 F CB -0.041 38.941 39.000 -0.029 0.000 1.011 3581 F HN 0.145 nan 8.300 nan 0.000 0.487 3582 R N -0.440 120.161 120.500 0.168 0.000 2.051 3582 R HA -0.048 4.292 4.340 -0.000 0.000 0.225 3582 R C 2.276 178.618 176.300 0.070 0.000 1.155 3582 R CA 0.833 56.989 56.100 0.094 0.000 0.945 3582 R CB -0.454 29.884 30.300 0.063 0.000 0.840 3582 R HN 0.124 nan 8.270 nan 0.000 0.432 3583 R N 1.293 121.825 120.500 0.053 0.000 2.113 3583 R HA -0.196 4.144 4.340 -0.000 0.000 0.231 3583 R C 1.999 178.336 176.300 0.061 0.000 1.129 3583 R CA 2.160 58.287 56.100 0.046 0.000 0.915 3583 R CB -0.146 30.172 30.300 0.030 0.000 0.837 3583 R HN 0.290 nan 8.270 nan 0.000 0.430 3584 E N -0.882 119.361 120.200 0.070 0.000 2.274 3584 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 3584 E C 1.170 177.827 176.600 0.095 0.000 0.996 3584 E CA 1.140 57.594 56.400 0.090 0.000 0.840 3584 E CB 0.044 29.806 29.700 0.103 0.000 0.772 3584 E HN 0.513 nan 8.360 nan 0.000 0.491 3585 N N -1.426 117.338 118.700 0.106 0.000 2.257 3585 N HA 0.106 4.846 4.740 -0.000 0.000 0.200 3585 N C 0.855 176.378 175.510 0.022 0.000 1.163 3585 N CA 0.336 53.438 53.050 0.086 0.000 0.891 3585 N CB 1.624 40.208 38.487 0.161 0.000 1.067 3585 N HN 0.149 nan 8.380 nan 0.000 0.497 3586 G N 0.687 109.510 108.800 0.038 0.000 2.179 3586 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 3586 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 3586 G C -0.212 174.684 174.900 -0.007 0.000 0.977 3586 G CA -0.061 45.047 45.100 0.014 0.000 0.641 3586 G HN 0.062 nan 8.290 nan 0.000 0.533 3587 L N 1.136 122.357 121.223 -0.003 0.000 2.436 3587 L HA 0.614 4.954 4.340 -0.000 0.000 0.265 3587 L C 0.939 177.807 176.870 -0.003 0.000 1.168 3587 L CA 0.556 55.371 54.840 -0.042 0.000 0.815 3587 L CB 1.763 43.762 42.059 -0.099 0.000 1.109 3587 L HN 0.073 nan 8.230 nan 0.000 0.462 3588 S N 0.990 116.680 115.700 -0.018 0.000 2.143 3588 S HA 0.361 4.831 4.470 -0.000 0.000 0.188 3588 S C -0.314 174.283 174.600 -0.006 0.000 1.431 3588 S CA -0.653 57.547 58.200 0.000 0.000 1.253 3588 S CB 0.279 63.478 63.200 -0.001 0.000 1.137 3588 S HN 0.408 nan 8.310 nan 0.000 0.457 3589 V N 0.088 120.001 119.914 -0.001 0.000 2.863 3589 V HA 0.876 4.996 4.120 -0.000 0.000 0.307 3589 V C 0.287 176.391 176.094 0.018 0.000 1.061 3589 V CA -0.604 61.693 62.300 -0.006 0.000 1.024 3589 V CB 1.295 33.101 31.823 -0.028 0.000 1.049 3589 V HN 0.513 nan 8.190 nan 0.000 0.471 3590 T N -0.351 114.209 114.554 0.011 0.000 2.950 3590 T HA 0.597 4.947 4.350 -0.000 0.000 0.288 3590 T C -2.029 172.682 174.700 0.018 0.000 1.035 3590 T CA -1.975 60.133 62.100 0.013 0.000 1.028 3590 T CB 1.520 70.392 68.868 0.006 0.000 1.109 3590 T HN 0.496 nan 8.240 nan 0.000 0.514 3591 P HA -0.066 nan 4.420 nan 0.000 0.218 3591 P C 1.006 178.313 177.300 0.011 0.000 1.146 3591 P CA 1.038 64.145 63.100 0.012 0.000 0.813 3591 P CB 0.046 31.745 31.700 -0.002 0.000 0.778 3592 E N -0.487 119.718 120.200 0.007 0.000 2.358 3592 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 3592 E C 0.667 177.270 176.600 0.005 0.000 1.010 3592 E CA 0.533 56.936 56.400 0.005 0.000 0.856 3592 E CB -0.171 29.530 29.700 0.002 0.000 0.795 3592 E HN 0.494 nan 8.360 nan 0.000 0.504 3593 E N 0.753 120.956 120.200 0.005 0.000 2.411 3593 E HA 0.125 4.475 4.350 -0.000 0.000 0.204 3593 E C -0.456 176.148 176.600 0.006 0.000 1.059 3593 E CA 0.010 56.407 56.400 -0.006 0.000 1.112 3593 E CB 0.845 30.534 29.700 -0.018 0.000 1.168 3593 E HN -0.133 nan 8.360 nan 0.000 0.445 3594 T N 0.994 115.569 114.554 0.034 0.000 2.933 3594 T HA 0.558 4.908 4.350 -0.000 0.000 0.305 3594 T C -1.417 173.327 174.700 0.073 0.000 1.092 3594 T CA -0.481 61.670 62.100 0.086 0.000 1.008 3594 T CB 1.686 70.619 68.868 0.109 0.000 1.102 3594 T HN 0.124 nan 8.240 nan 0.000 0.469 3595 I N 2.701 123.338 120.570 0.111 0.000 2.752 3595 I HA 0.679 4.849 4.170 -0.000 0.000 0.295 3595 I C -1.311 174.891 176.117 0.142 0.000 1.219 3595 I CA -0.933 60.423 61.300 0.093 0.000 1.030 3595 I CB 1.864 39.905 38.000 0.067 0.000 1.259 3595 I HN 0.416 nan 8.210 nan 0.000 0.423 3596 V N 7.520 127.501 119.914 0.111 0.000 2.313 3596 V HA 0.476 4.596 4.120 -0.000 0.000 0.278 3596 V C 0.258 176.415 176.094 0.105 0.000 1.017 3596 V CA 0.184 62.570 62.300 0.143 0.000 0.823 3596 V CB 1.306 33.199 31.823 0.115 0.000 1.010 3596 V HN 0.903 nan 8.190 nan 0.000 0.443 3597 T N 3.504 118.120 114.554 0.104 0.000 2.771 3597 T HA 0.404 4.754 4.350 -0.000 0.000 0.290 3597 T C 0.292 175.028 174.700 0.061 0.000 1.005 3597 T CA -0.484 61.661 62.100 0.075 0.000 0.944 3597 T CB 1.378 70.289 68.868 0.070 0.000 1.147 3597 T HN 0.461 nan 8.240 nan 0.000 0.534 3598 V N 1.830 121.776 119.914 0.054 0.000 2.056 3598 V HA 0.559 4.679 4.120 -0.000 0.000 0.267 3598 V C 1.144 177.257 176.094 0.031 0.000 1.535 3598 V CA 0.541 62.868 62.300 0.045 0.000 1.475 3598 V CB -1.258 30.586 31.823 0.035 0.000 1.441 3598 V HN 1.449 nan 8.190 nan 0.000 0.500 3599 G N 2.217 111.026 108.800 0.015 0.000 2.699 3599 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 3599 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 3599 G C 0.663 175.550 174.900 -0.022 0.000 1.301 3599 G CA -0.372 44.720 45.100 -0.013 0.000 0.816 3599 G HN 0.811 nan 8.290 nan 0.000 0.595 3600 G N -0.436 108.328 108.800 -0.060 0.000 2.498 3600 G HA2 0.114 4.074 3.960 -0.000 0.000 0.219 3600 G HA3 0.114 4.074 3.960 -0.000 0.000 0.219 3600 G C 1.940 176.889 174.900 0.082 0.000 1.119 3600 G CA 2.133 47.214 45.100 -0.032 0.000 0.766 3600 G HN 1.142 nan 8.290 nan 0.000 0.552 3601 S N 0.113 115.874 115.700 0.102 0.000 2.345 3601 S HA -0.131 4.339 4.470 -0.000 0.000 0.219 3601 S C 2.228 176.931 174.600 0.172 0.000 1.031 3601 S CA 1.381 59.688 58.200 0.178 0.000 0.984 3601 S CB -0.310 62.970 63.200 0.134 0.000 0.874 3601 S HN 0.593 nan 8.310 nan 0.000 0.451 3602 Q N 1.283 121.145 119.800 0.103 0.000 2.234 3602 Q HA -0.095 4.245 4.340 -0.000 0.000 0.206 3602 Q C 1.835 177.942 176.000 0.179 0.000 0.980 3602 Q CA 1.462 57.339 55.803 0.124 0.000 0.869 3602 Q CB -0.313 28.465 28.738 0.067 0.000 0.912 3602 Q HN 0.511 nan 8.270 nan 0.000 0.436 3603 A N 0.498 123.398 122.820 0.134 0.000 1.840 3603 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 3603 A C 2.017 179.668 177.584 0.112 0.000 1.198 3603 A CA 1.126 53.224 52.037 0.102 0.000 0.608 3603 A CB -0.752 18.290 19.000 0.071 0.000 0.839 3603 A HN 0.444 nan 8.150 nan 0.000 0.443 3604 L N -1.809 119.521 121.223 0.178 0.000 2.127 3604 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 3604 L C 2.418 179.488 176.870 0.334 0.000 1.089 3604 L CA 1.597 56.574 54.840 0.228 0.000 0.757 3604 L CB -0.440 41.892 42.059 0.456 0.000 0.899 3604 L HN 0.544 nan 8.230 nan 0.000 0.434 3605 F N 1.161 121.226 119.950 0.192 0.000 2.022 3605 F HA -0.202 4.325 4.527 -0.000 0.000 0.293 3605 F C 2.362 178.247 175.800 0.142 0.000 1.142 3605 F CA 1.732 59.844 58.000 0.187 0.000 1.177 3605 F CB -0.365 38.691 39.000 0.092 0.000 0.982 3605 F HN 0.049 nan 8.300 nan 0.000 0.473 3606 N N 1.011 119.875 118.700 0.273 0.000 2.247 3606 N HA -0.236 4.504 4.740 -0.000 0.000 0.189 3606 N C 1.925 177.409 175.510 -0.042 0.000 1.009 3606 N CA 1.414 54.520 53.050 0.092 0.000 0.872 3606 N CB -0.719 37.851 38.487 0.137 0.000 0.980 3606 N HN 0.459 nan 8.380 nan 0.000 0.436 3607 L N -0.516 120.660 121.223 -0.079 0.000 1.961 3607 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 3607 L C 1.565 178.300 176.870 -0.225 0.000 1.075 3607 L CA 1.339 56.044 54.840 -0.225 0.000 0.749 3607 L CB -0.406 41.420 42.059 -0.389 0.000 0.890 3607 L HN 0.018 nan 8.230 nan 0.000 0.433 3608 F N -0.302 119.586 119.950 -0.104 0.000 2.346 3608 F HA -0.248 4.279 4.527 -0.000 0.000 0.301 3608 F C 2.583 178.288 175.800 -0.158 0.000 1.070 3608 F CA 0.740 58.670 58.000 -0.117 0.000 1.407 3608 F CB -0.148 38.797 39.000 -0.092 0.000 1.072 3608 F HN 0.317 nan 8.300 nan 0.000 0.543 3609 Q N -0.541 119.220 119.800 -0.065 0.000 2.354 3609 Q HA 0.090 4.430 4.340 -0.000 0.000 0.203 3609 Q C 2.390 178.351 176.000 -0.065 0.000 0.933 3609 Q CA 0.945 56.680 55.803 -0.113 0.000 0.901 3609 Q CB -0.086 28.524 28.738 -0.212 0.000 1.007 3609 Q HN 0.450 nan 8.270 nan 0.000 0.495 3610 A N 1.019 123.793 122.820 -0.076 0.000 1.935 3610 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 3610 A C 1.903 179.440 177.584 -0.079 0.000 1.178 3610 A CA 0.646 52.637 52.037 -0.078 0.000 0.640 3610 A CB -0.234 18.703 19.000 -0.105 0.000 0.825 3610 A HN 0.342 nan 8.150 nan 0.000 0.447 3611 I N -3.334 117.176 120.570 -0.101 0.000 4.785 3611 I HA 0.236 4.406 4.170 -0.000 0.000 0.227 3611 I C -0.017 176.115 176.117 0.025 0.000 0.968 3611 I CA -0.707 60.556 61.300 -0.061 0.000 1.561 3611 I CB -0.989 36.918 38.000 -0.155 0.000 1.418 3611 I HN -0.056 nan 8.210 nan 0.000 0.449 3612 L N 3.236 124.503 121.223 0.073 0.000 3.505 3612 L HA -0.168 4.172 4.340 -0.000 0.000 0.392 3612 L C -0.686 176.201 176.870 0.028 0.000 1.042 3612 L CA 1.179 56.062 54.840 0.071 0.000 0.788 3612 L CB -2.192 39.925 42.059 0.097 0.000 1.235 3612 L HN 0.535 nan 8.230 nan 0.000 0.694 3613 D N 5.585 125.999 120.400 0.024 0.000 2.350 3613 D HA 0.386 5.025 4.640 -0.000 0.000 0.245 3613 D C -2.287 174.010 176.300 -0.005 0.000 1.036 3613 D CA -1.788 52.216 54.000 0.006 0.000 0.848 3613 D CB 1.699 42.507 40.800 0.014 0.000 1.307 3613 D HN 0.169 nan 8.370 nan 0.000 0.469 3614 P HA 0.002 nan 4.420 nan 0.000 0.260 3614 P C 0.752 178.038 177.300 -0.023 0.000 1.147 3614 P CA 1.166 64.249 63.100 -0.030 0.000 0.758 3614 P CB 0.357 32.037 31.700 -0.033 0.000 0.744 3615 G N 2.172 110.955 108.800 -0.029 0.000 2.225 3615 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.254 3615 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.254 3615 G C 0.003 174.889 174.900 -0.023 0.000 0.988 3615 G CA -0.203 44.881 45.100 -0.026 0.000 0.625 3615 G HN 0.512 nan 8.290 nan 0.000 0.527 3616 D N 1.857 122.249 120.400 -0.015 0.000 2.424 3616 D HA 0.418 5.058 4.640 -0.000 0.000 0.244 3616 D C 0.699 176.985 176.300 -0.023 0.000 1.134 3616 D CA 0.393 54.390 54.000 -0.005 0.000 0.881 3616 D CB 0.681 41.495 40.800 0.024 0.000 1.191 3616 D HN 0.568 nan 8.370 nan 0.000 0.445 3617 E N 0.478 120.656 120.200 -0.037 0.000 2.266 3617 E HA 0.426 4.776 4.350 -0.000 0.000 0.277 3617 E C -0.697 175.861 176.600 -0.070 0.000 1.018 3617 E CA -0.801 55.560 56.400 -0.064 0.000 0.840 3617 E CB 1.875 31.526 29.700 -0.082 0.000 1.082 3617 E HN 0.068 nan 8.360 nan 0.000 0.395 3618 V N 4.609 124.474 119.914 -0.082 0.000 2.407 3618 V HA 0.275 4.395 4.120 -0.000 0.000 0.291 3618 V C -0.003 176.027 176.094 -0.107 0.000 1.018 3618 V CA -0.643 61.617 62.300 -0.065 0.000 0.842 3618 V CB 1.099 32.893 31.823 -0.048 0.000 0.996 3618 V HN 0.613 nan 8.190 nan 0.000 0.426 3619 I N 4.837 125.334 120.570 -0.122 0.000 2.588 3619 I HA 0.307 4.477 4.170 -0.000 0.000 0.283 3619 I C -0.363 175.700 176.117 -0.090 0.000 1.119 3619 I CA 0.022 61.252 61.300 -0.116 0.000 1.419 3619 I CB 1.282 39.199 38.000 -0.140 0.000 1.394 3619 I HN 0.271 nan 8.210 nan 0.000 0.562 3620 V N 7.235 127.090 119.914 -0.097 0.000 2.569 3620 V HA 0.274 4.394 4.120 -0.000 0.000 0.301 3620 V C -0.198 175.888 176.094 -0.013 0.000 1.044 3620 V CA -0.695 61.538 62.300 -0.111 0.000 0.874 3620 V CB 1.910 33.572 31.823 -0.269 0.000 1.002 3620 V HN 0.381 nan 8.190 nan 0.000 0.424 3621 L N 4.109 125.377 121.223 0.074 0.000 2.426 3621 L HA 0.382 4.722 4.340 -0.000 0.000 0.271 3621 L C 1.247 178.304 176.870 0.313 0.000 1.169 3621 L CA 0.857 55.794 54.840 0.162 0.000 0.836 3621 L CB 1.023 43.182 42.059 0.166 0.000 1.112 3621 L HN 0.912 nan 8.230 nan 0.000 0.465 3622 S N 2.787 118.674 115.700 0.312 0.000 2.629 3622 S HA 0.252 4.722 4.470 -0.000 0.000 0.250 3622 S C -2.035 172.718 174.600 0.256 0.000 1.318 3622 S CA -0.524 57.902 58.200 0.377 0.000 0.970 3622 S CB -0.601 62.762 63.200 0.272 0.000 0.996 3622 S HN 0.656 nan 8.310 nan 0.000 0.563 3623 P HA -0.161 nan 4.420 nan 0.000 0.014 3623 P C -0.929 176.393 177.300 0.037 0.000 0.569 3623 P CA 1.374 64.399 63.100 -0.124 0.000 1.035 3623 P CB -1.868 29.684 31.700 -0.247 0.000 1.908 3624 Y N -3.275 117.133 120.300 0.181 0.000 2.387 3624 Y HA 0.615 5.165 4.550 -0.000 0.000 0.330 3624 Y C 0.205 176.313 175.900 0.346 0.000 1.133 3624 Y CA -2.737 55.530 58.100 0.279 0.000 1.152 3624 Y CB 0.545 39.162 38.460 0.262 0.000 1.215 3624 Y HN -0.008 nan 8.280 nan 0.000 0.466 3625 W N 5.440 126.965 121.300 0.374 0.000 2.397 3625 W HA 0.223 4.883 4.660 -0.000 0.000 0.327 3625 W C 0.701 177.115 176.519 -0.175 0.000 1.421 3625 W CA -0.539 56.826 57.345 0.033 0.000 1.288 3625 W CB 0.388 29.703 29.460 -0.241 0.000 1.312 3625 W HN 0.682 nan 8.180 nan 0.000 0.559 3626 V N 4.516 123.823 119.914 -1.012 0.000 2.277 3626 V HA -0.459 3.661 4.120 -0.000 0.000 0.261 3626 V C 2.207 177.778 176.094 -0.872 0.000 1.091 3626 V CA 2.803 64.478 62.300 -1.042 0.000 1.090 3626 V CB -1.307 29.882 31.823 -1.056 0.000 0.704 3626 V HN 0.755 nan 8.190 nan 0.000 0.455 3627 S N -2.441 112.372 115.700 -1.478 0.000 2.562 3627 S HA 0.039 4.509 4.470 -0.000 0.000 0.221 3627 S C 1.476 175.708 174.600 -0.613 0.000 0.975 3627 S CA 0.403 57.972 58.200 -1.051 0.000 0.918 3627 S CB -0.288 62.234 63.200 -1.131 0.000 0.772 3627 S HN 0.692 nan 8.310 nan 0.000 0.531 3628 Y N 2.360 122.388 120.300 -0.453 0.000 2.097 3628 Y HA -0.126 4.424 4.550 -0.000 0.000 0.282 3628 Y C -0.037 175.644 175.900 -0.364 0.000 1.152 3628 Y CA 1.106 59.055 58.100 -0.252 0.000 1.136 3628 Y CB -1.410 36.982 38.460 -0.113 0.000 0.975 3628 Y HN 0.289 nan 8.280 nan 0.000 0.498 3629 P HA -0.145 nan 4.420 nan 0.000 0.216 3629 P C 1.028 178.217 177.300 -0.184 0.000 1.153 3629 P CA 1.509 64.463 63.100 -0.244 0.000 0.844 3629 P CB 0.059 31.615 31.700 -0.239 0.000 0.787 3630 E N 0.522 120.619 120.200 -0.172 0.000 2.070 3630 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 3630 E C 2.113 178.682 176.600 -0.051 0.000 1.004 3630 E CA 1.657 57.989 56.400 -0.113 0.000 0.805 3630 E CB -0.695 28.902 29.700 -0.172 0.000 0.744 3630 E HN 0.449 nan 8.360 nan 0.000 0.451 3631 M N -1.128 118.413 119.600 -0.098 0.000 2.447 3631 M HA 0.040 4.520 4.480 -0.000 0.000 0.264 3631 M C 2.115 178.305 176.300 -0.184 0.000 1.095 3631 M CA 0.766 56.054 55.300 -0.020 0.000 1.125 3631 M CB -0.307 32.357 32.600 0.107 0.000 1.389 3631 M HN -0.166 nan 8.290 nan 0.000 0.459 3632 V N 2.162 121.827 119.914 -0.414 0.000 2.244 3632 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 3632 V C 2.645 178.597 176.094 -0.237 0.000 1.042 3632 V CA 2.059 64.017 62.300 -0.570 0.000 1.006 3632 V CB -0.702 30.808 31.823 -0.521 0.000 0.641 3632 V HN 0.532 nan 8.190 nan 0.000 0.446 3633 R N -1.129 119.283 120.500 -0.147 0.000 2.120 3633 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 3633 R C 2.196 178.488 176.300 -0.013 0.000 1.123 3633 R CA 1.712 57.768 56.100 -0.072 0.000 0.975 3633 R CB -0.515 29.753 30.300 -0.054 0.000 0.866 3633 R HN 0.493 nan 8.270 nan 0.000 0.446 3634 F N 1.361 121.257 119.950 -0.090 0.000 2.134 3634 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 3634 F C 2.290 178.055 175.800 -0.060 0.000 1.097 3634 F CA 1.498 59.477 58.000 -0.036 0.000 1.264 3634 F CB -0.189 38.837 39.000 0.043 0.000 1.001 3634 F HN -0.015 nan 8.300 nan 0.000 0.479 3635 A N -0.623 122.225 122.820 0.047 0.000 2.119 3635 A HA 0.269 4.589 4.320 -0.000 0.000 0.217 3635 A C 1.804 179.342 177.584 -0.078 0.000 1.153 3635 A CA 1.159 53.171 52.037 -0.042 0.000 0.692 3635 A CB -1.164 17.812 19.000 -0.040 0.000 0.799 3635 A HN 0.966 nan 8.150 nan 0.000 0.458 3636 G N -2.597 106.151 108.800 -0.087 0.000 2.148 3636 G HA2 0.110 4.070 3.960 -0.000 0.000 0.157 3636 G HA3 0.110 4.070 3.960 -0.000 0.000 0.157 3636 G C 0.627 175.487 174.900 -0.066 0.000 1.012 3636 G CA 0.114 45.165 45.100 -0.083 0.000 0.677 3636 G HN 1.181 nan 8.290 nan 0.000 0.506 3637 G N -1.151 107.602 108.800 -0.078 0.000 2.553 3637 G HA2 0.627 4.587 3.960 -0.000 0.000 0.278 3637 G HA3 0.627 4.587 3.960 -0.000 0.000 0.278 3637 G C -0.373 174.477 174.900 -0.084 0.000 1.349 3637 G CA 0.081 45.133 45.100 -0.081 0.000 1.037 3637 G HN 1.079 nan 8.290 nan 0.000 0.508 3638 V N 0.144 120.005 119.914 -0.088 0.000 2.555 3638 V HA 0.190 4.309 4.120 -0.000 0.000 0.283 3638 V C -0.089 175.945 176.094 -0.099 0.000 1.020 3638 V CA -0.629 61.622 62.300 -0.081 0.000 0.883 3638 V CB 1.460 33.246 31.823 -0.061 0.000 1.030 3638 V HN 0.546 nan 8.190 nan 0.000 0.448 3639 V N 5.380 125.225 119.914 -0.116 0.000 2.585 3639 V HA 0.240 4.360 4.120 -0.000 0.000 0.296 3639 V C 0.174 176.209 176.094 -0.099 0.000 1.035 3639 V CA 0.047 62.264 62.300 -0.138 0.000 1.084 3639 V CB 1.407 33.127 31.823 -0.172 0.000 0.953 3639 V HN 0.569 nan 8.190 nan 0.000 0.483 3640 V N 5.794 125.648 119.914 -0.100 0.000 2.409 3640 V HA 0.362 4.482 4.120 -0.000 0.000 0.290 3640 V C -0.055 175.999 176.094 -0.067 0.000 1.017 3640 V CA -0.667 61.590 62.300 -0.072 0.000 0.841 3640 V CB 1.612 33.385 31.823 -0.083 0.000 1.003 3640 V HN 1.068 nan 8.190 nan 0.000 0.426 3641 E N 4.530 124.712 120.200 -0.029 0.000 2.214 3641 E HA 0.786 5.136 4.350 -0.000 0.000 0.274 3641 E C -1.297 175.330 176.600 0.046 0.000 0.977 3641 E CA -0.876 55.528 56.400 0.008 0.000 0.827 3641 E CB 2.397 32.130 29.700 0.054 0.000 1.130 3641 E HN 0.283 nan 8.360 nan 0.000 0.394 3642 V N 1.827 121.778 119.914 0.061 0.000 2.448 3642 V HA 0.230 4.349 4.120 -0.000 0.000 0.295 3642 V C -0.125 176.035 176.094 0.109 0.000 1.025 3642 V CA -0.947 61.391 62.300 0.064 0.000 0.859 3642 V CB 1.256 33.097 31.823 0.030 0.000 0.988 3642 V HN 0.809 nan 8.190 nan 0.000 0.431 3643 E N 3.164 123.429 120.200 0.109 0.000 2.390 3643 E HA 0.442 4.792 4.350 -0.000 0.000 0.261 3643 E C -0.045 176.624 176.600 0.115 0.000 1.076 3643 E CA -0.077 56.405 56.400 0.137 0.000 0.905 3643 E CB 1.108 30.886 29.700 0.130 0.000 0.984 3643 E HN 0.851 nan 8.360 nan 0.000 0.427 3644 T N 2.308 116.963 114.554 0.167 0.000 2.930 3644 T HA 0.429 4.779 4.350 -0.000 0.000 0.313 3644 T C -0.026 174.720 174.700 0.076 0.000 1.019 3644 T CA -0.803 61.382 62.100 0.142 0.000 1.004 3644 T CB -0.083 68.941 68.868 0.260 0.000 0.987 3644 T HN 0.354 nan 8.240 nan 0.000 0.456 3645 L N 5.056 126.231 121.223 -0.080 0.000 2.485 3645 L HA 0.234 4.574 4.340 -0.000 0.000 0.275 3645 L C -0.802 175.677 176.870 -0.652 0.000 1.207 3645 L CA -1.876 52.827 54.840 -0.228 0.000 0.855 3645 L CB 0.566 42.548 42.059 -0.129 0.000 1.114 3645 L HN 0.404 nan 8.230 nan 0.000 0.485 3646 P HA -0.159 nan 4.420 nan 0.000 0.221 3646 P C 0.902 177.920 177.300 -0.470 0.000 1.150 3646 P CA 1.083 63.507 63.100 -1.127 0.000 0.800 3646 P CB 0.101 31.513 31.700 -0.481 0.000 0.787 3647 E N 1.797 121.835 120.200 -0.270 0.000 2.150 3647 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 3647 E C 1.290 177.807 176.600 -0.139 0.000 0.985 3647 E CA 1.051 57.367 56.400 -0.140 0.000 0.814 3647 E CB -0.938 28.711 29.700 -0.086 0.000 0.752 3647 E HN 0.520 nan 8.360 nan 0.000 0.466 3648 E N 1.079 121.168 120.200 -0.186 0.000 2.311 3648 E HA 0.223 4.573 4.350 -0.000 0.000 0.198 3648 E C 0.649 177.173 176.600 -0.127 0.000 1.115 3648 E CA 0.161 56.483 56.400 -0.130 0.000 1.140 3648 E CB -0.385 29.252 29.700 -0.104 0.000 1.204 3648 E HN 0.249 nan 8.360 nan 0.000 0.446 3649 G N 1.481 110.185 108.800 -0.160 0.000 2.416 3649 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.301 3649 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.301 3649 G C 0.263 175.225 174.900 0.102 0.000 0.985 3649 G CA 0.426 45.504 45.100 -0.038 0.000 0.934 3649 G HN 0.571 nan 8.290 nan 0.000 0.513 3650 F N -4.089 115.894 119.950 0.055 0.000 3.048 3650 F HA -0.211 4.316 4.527 -0.000 0.000 0.269 3650 F C 0.817 176.681 175.800 0.106 0.000 0.960 3650 F CA 0.820 58.865 58.000 0.075 0.000 0.909 3650 F CB -1.626 37.426 39.000 0.086 0.000 0.837 3650 F HN 0.264 nan 8.300 nan 0.000 0.768 3651 V N 1.598 121.580 119.914 0.113 0.000 2.409 3651 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 3651 V C -1.478 174.501 176.094 -0.191 0.000 1.020 3651 V CA -1.836 60.418 62.300 -0.076 0.000 0.848 3651 V CB 1.784 33.616 31.823 0.014 0.000 0.990 3651 V HN -0.082 nan 8.190 nan 0.000 0.430 3652 P HA -0.009 nan 4.420 nan 0.000 0.266 3652 P C -0.882 176.332 177.300 -0.143 0.000 1.186 3652 P CA 0.098 63.062 63.100 -0.227 0.000 0.767 3652 P CB 0.781 32.299 31.700 -0.303 0.000 0.820 3653 D N 3.184 123.536 120.400 -0.080 0.000 2.443 3653 D HA 0.162 4.802 4.640 -0.000 0.000 0.221 3653 D C -1.842 174.434 176.300 -0.040 0.000 1.097 3653 D CA -2.724 51.245 54.000 -0.052 0.000 0.865 3653 D CB 0.340 41.118 40.800 -0.035 0.000 1.034 3653 D HN 0.147 nan 8.370 nan 0.000 0.511 3654 P HA 0.041 nan 4.420 nan 0.000 0.262 3654 P C 0.001 177.298 177.300 -0.005 0.000 1.647 3654 P CA 0.257 63.346 63.100 -0.018 0.000 0.865 3654 P CB 0.687 32.378 31.700 -0.015 0.000 1.834 3655 E N 0.775 120.971 120.200 -0.008 0.000 2.879 3655 E HA 0.033 4.382 4.350 -0.000 0.000 0.206 3655 E C 1.876 178.473 176.600 -0.004 0.000 0.969 3655 E CA 0.621 57.020 56.400 -0.001 0.000 1.496 3655 E CB 0.011 29.709 29.700 -0.003 0.000 1.454 3655 E HN 0.186 nan 8.360 nan 0.000 0.750 3656 R N 0.147 120.641 120.500 -0.009 0.000 2.275 3656 R HA 0.185 4.525 4.340 -0.000 0.000 0.199 3656 R C 1.454 177.744 176.300 -0.016 0.000 0.989 3656 R CA 0.921 57.015 56.100 -0.010 0.000 1.016 3656 R CB -0.253 30.043 30.300 -0.007 0.000 0.918 3656 R HN -0.060 nan 8.270 nan 0.000 0.473 3657 V N 1.478 121.381 119.914 -0.018 0.000 2.719 3657 V HA -0.105 4.015 4.120 -0.000 0.000 0.252 3657 V C 2.622 178.691 176.094 -0.042 0.000 1.065 3657 V CA 1.775 64.061 62.300 -0.023 0.000 1.086 3657 V CB -0.574 31.244 31.823 -0.010 0.000 0.700 3657 V HN 0.402 nan 8.190 nan 0.000 0.467 3658 R N 1.784 122.265 120.500 -0.032 0.000 2.066 3658 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 3658 R C 1.982 178.238 176.300 -0.072 0.000 1.131 3658 R CA 1.484 57.551 56.100 -0.054 0.000 0.955 3658 R CB -0.198 30.104 30.300 0.002 0.000 0.851 3658 R HN 0.596 nan 8.270 nan 0.000 0.432 3659 R N -0.137 120.341 120.500 -0.037 0.000 3.385 3659 R HA 0.190 4.530 4.340 -0.000 0.000 0.236 3659 R C 0.376 176.650 176.300 -0.043 0.000 1.663 3659 R CA 0.543 56.624 56.100 -0.031 0.000 1.444 3659 R CB 0.445 30.738 30.300 -0.011 0.000 1.218 3659 R HN 0.197 nan 8.270 nan 0.000 0.575 3660 A N 0.559 123.335 122.820 -0.074 0.000 2.548 3660 A HA 0.308 4.628 4.320 -0.000 0.000 0.236 3660 A C 0.430 177.937 177.584 -0.128 0.000 1.246 3660 A CA -0.504 51.485 52.037 -0.082 0.000 0.993 3660 A CB 0.534 19.489 19.000 -0.075 0.000 1.209 3660 A HN 0.264 nan 8.150 nan 0.000 0.570 3661 I N 2.301 122.773 120.570 -0.165 0.000 2.474 3661 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 3661 I C 0.672 176.715 176.117 -0.122 0.000 1.048 3661 I CA 0.305 61.468 61.300 -0.227 0.000 1.383 3661 I CB 1.459 39.243 38.000 -0.361 0.000 1.412 3661 I HN 0.365 nan 8.210 nan 0.000 0.531 3662 T N 2.744 117.234 114.554 -0.107 0.000 2.865 3662 T HA 0.416 4.766 4.350 -0.000 0.000 0.294 3662 T C -2.259 172.427 174.700 -0.024 0.000 1.119 3662 T CA -1.630 60.443 62.100 -0.044 0.000 1.007 3662 T CB 2.024 70.864 68.868 -0.048 0.000 1.225 3662 T HN 0.353 nan 8.240 nan 0.000 0.515 3663 P HA -0.007 nan 4.420 nan 0.000 0.236 3663 P C 0.816 178.122 177.300 0.009 0.000 1.172 3663 P CA 0.417 63.532 63.100 0.024 0.000 0.759 3663 P CB 0.085 31.801 31.700 0.027 0.000 0.843 3664 R N -1.426 119.065 120.500 -0.015 0.000 2.237 3664 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 3664 R C 0.625 176.903 176.300 -0.036 0.000 0.956 3664 R CA 0.142 56.232 56.100 -0.017 0.000 1.029 3664 R CB -1.434 28.852 30.300 -0.023 0.000 0.972 3664 R HN -0.023 nan 8.270 nan 0.000 0.493 3665 T N 3.025 117.528 114.554 -0.085 0.000 2.704 3665 T HA -0.036 4.314 4.350 -0.000 0.000 0.271 3665 T C 0.839 175.461 174.700 -0.129 0.000 1.000 3665 T CA 0.852 62.844 62.100 -0.180 0.000 1.216 3665 T CB 0.634 69.292 68.868 -0.349 0.000 0.961 3665 T HN 0.272 nan 8.240 nan 0.000 0.515 3666 K N 1.514 121.881 120.400 -0.054 0.000 2.391 3666 K HA 0.491 4.811 4.320 -0.000 0.000 0.197 3666 K C 0.383 177.128 176.600 0.241 0.000 1.087 3666 K CA -0.023 56.332 56.287 0.112 0.000 1.012 3666 K CB 0.589 33.175 32.500 0.143 0.000 0.925 3666 K HN 0.666 nan 8.250 nan 0.000 0.547 3667 A N 0.948 123.836 122.820 0.113 0.000 2.594 3667 A HA 0.582 4.902 4.320 -0.000 0.000 0.295 3667 A C -2.213 175.426 177.584 0.092 0.000 1.071 3667 A CA -0.754 51.434 52.037 0.252 0.000 0.685 3667 A CB 1.474 20.644 19.000 0.283 0.000 1.285 3667 A HN 0.097 nan 8.150 nan 0.000 0.405 3668 L N 1.191 122.553 121.223 0.233 0.000 2.381 3668 L HA 0.849 5.189 4.340 -0.000 0.000 0.268 3668 L C -1.369 175.582 176.870 0.135 0.000 0.997 3668 L CA -0.586 54.344 54.840 0.149 0.000 0.818 3668 L CB 2.172 44.430 42.059 0.332 0.000 1.310 3668 L HN 0.538 nan 8.230 nan 0.000 0.416 3669 V N 5.342 125.287 119.914 0.051 0.000 2.409 3669 V HA 0.593 4.713 4.120 -0.000 0.000 0.290 3669 V C -0.441 175.649 176.094 -0.008 0.000 1.017 3669 V CA -0.676 61.612 62.300 -0.021 0.000 0.841 3669 V CB 1.432 33.154 31.823 -0.169 0.000 1.003 3669 V HN 0.642 nan 8.190 nan 0.000 0.426 3670 V N 4.787 124.742 119.914 0.068 0.000 2.769 3670 V HA 0.682 4.801 4.120 -0.000 0.000 0.312 3670 V C -0.445 175.750 176.094 0.168 0.000 1.058 3670 V CA -0.416 61.994 62.300 0.183 0.000 0.952 3670 V CB 2.053 34.027 31.823 0.252 0.000 1.019 3670 V HN 1.021 nan 8.190 nan 0.000 0.445 3671 N N 3.324 122.151 118.700 0.211 0.000 2.664 3671 N HA 0.258 4.998 4.740 -0.000 0.000 0.268 3671 N C -1.715 173.715 175.510 -0.133 0.000 1.222 3671 N CA -0.141 52.978 53.050 0.114 0.000 0.805 3671 N CB 1.422 40.063 38.487 0.256 0.000 1.399 3671 N HN 0.673 nan 8.380 nan 0.000 0.547 3672 S N 3.596 119.170 115.700 -0.211 0.000 2.561 3672 S HA 0.551 5.021 4.470 -0.000 0.000 0.303 3672 S C -2.875 171.703 174.600 -0.037 0.000 1.110 3672 S CA -1.173 56.793 58.200 -0.389 0.000 1.034 3672 S CB 1.456 64.273 63.200 -0.637 0.000 1.010 3672 S HN 0.335 nan 8.310 nan 0.000 0.482 3673 P HA 0.163 nan 4.420 nan 0.000 0.271 3673 P C -0.449 176.682 177.300 -0.281 0.000 1.233 3673 P CA -0.029 62.957 63.100 -0.190 0.000 0.764 3673 P CB 0.119 31.718 31.700 -0.167 0.000 0.825 3674 N N 3.120 121.646 118.700 -0.289 0.000 2.407 3674 N HA 0.002 4.742 4.740 -0.000 0.000 0.250 3674 N C -0.053 175.280 175.510 -0.294 0.000 1.236 3674 N CA 0.171 53.087 53.050 -0.224 0.000 0.879 3674 N CB 0.147 38.566 38.487 -0.113 0.000 1.088 3674 N HN 0.356 nan 8.380 nan 0.000 0.450 3675 N N 3.212 121.755 118.700 -0.262 0.000 2.410 3675 N HA 0.324 5.064 4.740 -0.000 0.000 0.287 3675 N C -2.552 172.869 175.510 -0.147 0.000 1.044 3675 N CA -2.116 50.706 53.050 -0.380 0.000 0.881 3675 N CB 2.174 40.336 38.487 -0.543 0.000 1.405 3675 N HN 0.291 nan 8.380 nan 0.000 0.490 3676 P HA 0.087 nan 4.420 nan 0.000 0.261 3676 P C 0.778 177.865 177.300 -0.354 0.000 1.268 3676 P CA 0.333 63.128 63.100 -0.508 0.000 0.833 3676 P CB 0.453 31.621 31.700 -0.886 0.000 1.231 3677 T N -2.018 112.346 114.554 -0.316 0.000 3.043 3677 T HA 0.172 4.522 4.350 -0.000 0.000 0.263 3677 T C 1.637 176.277 174.700 -0.100 0.000 1.094 3677 T CA 1.594 63.507 62.100 -0.312 0.000 1.127 3677 T CB -0.999 67.542 68.868 -0.546 0.000 0.905 3677 T HN 0.195 nan 8.240 nan 0.000 0.490 3678 G N 0.996 109.747 108.800 -0.081 0.000 2.179 3678 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.260 3678 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.260 3678 G C 0.426 175.317 174.900 -0.015 0.000 0.977 3678 G CA 0.229 45.306 45.100 -0.037 0.000 0.641 3678 G HN 1.218 nan 8.290 nan 0.000 0.533 3679 A N -0.832 122.002 122.820 0.022 0.000 2.448 3679 A HA 0.623 4.943 4.320 -0.000 0.000 0.239 3679 A C 0.421 177.987 177.584 -0.031 0.000 1.080 3679 A CA 0.793 52.885 52.037 0.092 0.000 0.779 3679 A CB 1.255 20.414 19.000 0.264 0.000 1.026 3679 A HN 1.594 nan 8.150 nan 0.000 0.499 3680 V N 3.106 123.036 119.914 0.027 0.000 2.447 3680 V HA 0.420 4.540 4.120 -0.000 0.000 0.292 3680 V C -1.068 175.096 176.094 0.116 0.000 1.021 3680 V CA -0.618 61.655 62.300 -0.046 0.000 0.850 3680 V CB 0.665 32.485 31.823 -0.004 0.000 1.005 3680 V HN 0.774 nan 8.190 nan 0.000 0.426 3681 Y N 6.979 127.329 120.300 0.083 0.000 2.425 3681 Y HA 0.281 4.831 4.550 -0.000 0.000 0.331 3681 Y C -1.630 174.304 175.900 0.056 0.000 1.157 3681 Y CA -2.057 56.086 58.100 0.072 0.000 1.372 3681 Y CB 0.367 38.873 38.460 0.078 0.000 1.253 3681 Y HN 0.495 nan 8.280 nan 0.000 0.536 3682 P HA -0.046 nan 4.420 nan 0.000 0.271 3682 P C 0.584 177.910 177.300 0.043 0.000 1.238 3682 P CA -0.226 62.926 63.100 0.087 0.000 0.794 3682 P CB 0.812 32.539 31.700 0.046 0.000 0.959 3683 K N 1.116 121.474 120.400 -0.070 0.000 1.991 3683 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 3683 K C 1.163 177.560 176.600 -0.338 0.000 1.049 3683 K CA 1.807 57.905 56.287 -0.316 0.000 0.932 3683 K CB -0.317 31.897 32.500 -0.476 0.000 0.717 3683 K HN 0.367 nan 8.250 nan 0.000 0.441 3684 E N 0.297 120.364 120.200 -0.221 0.000 2.533 3684 E HA -0.084 4.266 4.350 -0.000 0.000 0.203 3684 E C 1.273 177.829 176.600 -0.072 0.000 1.101 3684 E CA 0.419 56.727 56.400 -0.153 0.000 0.894 3684 E CB 0.012 29.646 29.700 -0.111 0.000 0.843 3684 E HN 0.134 nan 8.360 nan 0.000 0.552 3685 V N -0.273 119.623 119.914 -0.030 0.000 3.048 3685 V HA 0.041 4.161 4.120 -0.000 0.000 0.241 3685 V C 1.762 177.887 176.094 0.051 0.000 1.129 3685 V CA 0.300 62.601 62.300 0.000 0.000 1.128 3685 V CB -0.138 31.683 31.823 -0.004 0.000 0.849 3685 V HN 0.243 nan 8.190 nan 0.000 0.475 3686 L N 0.311 121.602 121.223 0.113 0.000 2.291 3686 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 3686 L C 2.383 179.381 176.870 0.212 0.000 1.120 3686 L CA 1.336 56.312 54.840 0.228 0.000 0.799 3686 L CB -0.234 42.074 42.059 0.414 0.000 0.925 3686 L HN 0.400 nan 8.230 nan 0.000 0.446 3687 E N 0.629 120.869 120.200 0.066 0.000 2.021 3687 E HA -0.144 4.206 4.350 -0.000 0.000 0.189 3687 E C 2.260 178.877 176.600 0.028 0.000 0.980 3687 E CA 1.263 57.678 56.400 0.026 0.000 0.803 3687 E CB -0.075 29.551 29.700 -0.123 0.000 0.766 3687 E HN 0.298 nan 8.360 nan 0.000 0.449 3688 A N 0.973 123.796 122.820 0.005 0.000 1.873 3688 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 3688 A C 2.311 179.909 177.584 0.023 0.000 1.193 3688 A CA 1.963 54.004 52.037 0.006 0.000 0.629 3688 A CB -1.104 17.894 19.000 -0.003 0.000 0.826 3688 A HN 0.351 nan 8.150 nan 0.000 0.447 3689 L N -0.879 120.369 121.223 0.041 0.000 2.017 3689 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 3689 L C 3.075 179.971 176.870 0.043 0.000 1.073 3689 L CA 1.154 56.031 54.840 0.062 0.000 0.745 3689 L CB -0.769 41.340 42.059 0.083 0.000 0.894 3689 L HN 0.433 nan 8.230 nan 0.000 0.432 3690 A N 0.310 123.154 122.820 0.040 0.000 1.978 3690 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 3690 A C 2.414 179.940 177.584 -0.097 0.000 1.170 3690 A CA 1.648 53.679 52.037 -0.009 0.000 0.636 3690 A CB -0.505 18.520 19.000 0.042 0.000 0.810 3690 A HN 0.379 nan 8.150 nan 0.000 0.448 3691 R N -0.516 119.948 120.500 -0.059 0.000 2.092 3691 R HA 0.032 4.372 4.340 -0.000 0.000 0.231 3691 R C 1.942 178.184 176.300 -0.096 0.000 1.119 3691 R CA 1.301 57.349 56.100 -0.088 0.000 0.970 3691 R CB -0.446 29.831 30.300 -0.039 0.000 0.864 3691 R HN 0.519 nan 8.270 nan 0.000 0.440 3692 L N 0.180 121.390 121.223 -0.022 0.000 2.141 3692 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 3692 L C 2.665 179.426 176.870 -0.182 0.000 1.094 3692 L CA 0.977 55.874 54.840 0.096 0.000 0.763 3692 L CB -0.716 41.448 42.059 0.175 0.000 0.908 3692 L HN 0.216 nan 8.230 nan 0.000 0.437 3693 A N 0.080 122.593 122.820 -0.512 0.000 1.908 3693 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 3693 A C 2.377 179.395 177.584 -0.944 0.000 1.181 3693 A CA 1.835 53.116 52.037 -1.261 0.000 0.627 3693 A CB -0.703 17.926 19.000 -0.618 0.000 0.818 3693 A HN 0.186 nan 8.150 nan 0.000 0.445 3694 V N -0.323 119.142 119.914 -0.748 0.000 2.239 3694 V HA -0.228 3.891 4.120 -0.000 0.000 0.242 3694 V C 2.504 178.369 176.094 -0.381 0.000 1.038 3694 V CA 2.098 63.860 62.300 -0.897 0.000 1.002 3694 V CB -0.727 30.721 31.823 -0.625 0.000 0.641 3694 V HN 0.767 nan 8.190 nan 0.000 0.449 3695 E N -0.289 119.772 120.200 -0.230 0.000 2.114 3695 E HA -0.309 4.041 4.350 -0.000 0.000 0.199 3695 E C 1.878 178.380 176.600 -0.162 0.000 1.008 3695 E CA 2.302 58.613 56.400 -0.148 0.000 0.810 3695 E CB -0.077 29.567 29.700 -0.094 0.000 0.739 3695 E HN 0.807 nan 8.360 nan 0.000 0.456 3696 H N -0.694 118.353 119.070 -0.039 0.000 2.551 3696 H HA 0.158 4.714 4.556 -0.000 0.000 0.271 3696 H C -0.487 174.915 175.328 0.123 0.000 0.984 3696 H CA 0.641 56.755 56.048 0.110 0.000 1.164 3696 H CB 0.507 30.459 29.762 0.318 0.000 1.437 3696 H HN 0.179 nan 8.280 nan 0.000 0.550 3697 D N 0.056 120.497 120.400 0.068 0.000 3.729 3697 D HA -0.182 4.458 4.640 -0.000 0.000 0.242 3697 D C -1.110 175.264 176.300 0.125 0.000 1.091 3697 D CA 0.773 54.822 54.000 0.083 0.000 1.096 3697 D CB -1.275 39.569 40.800 0.073 0.000 0.901 3697 D HN 0.403 nan 8.370 nan 0.000 0.416 3698 F N 0.116 120.104 119.950 0.063 0.000 2.703 3698 F HA 0.567 5.094 4.527 -0.000 0.000 0.308 3698 F C -0.963 174.829 175.800 -0.013 0.000 1.126 3698 F CA -1.615 56.354 58.000 -0.051 0.000 0.959 3698 F CB 0.641 39.663 39.000 0.036 0.000 1.297 3698 F HN -0.092 nan 8.300 nan 0.000 0.441 3699 Y N 2.133 122.610 120.300 0.295 0.000 2.457 3699 Y HA 0.399 4.949 4.550 -0.000 0.000 0.341 3699 Y C 0.200 176.245 175.900 0.241 0.000 1.240 3699 Y CA -0.436 57.766 58.100 0.171 0.000 1.437 3699 Y CB 0.581 39.090 38.460 0.083 0.000 1.328 3699 Y HN 0.637 nan 8.280 nan 0.000 0.588 3700 L N 3.002 124.400 121.223 0.293 0.000 2.356 3700 L HA 0.546 4.886 4.340 -0.000 0.000 0.277 3700 L C -1.562 175.390 176.870 0.137 0.000 0.996 3700 L CA -0.909 54.057 54.840 0.209 0.000 0.822 3700 L CB 1.366 43.492 42.059 0.112 0.000 1.256 3700 L HN 0.404 nan 8.230 nan 0.000 0.413 3701 V N 3.746 123.720 119.914 0.101 0.000 2.334 3701 V HA 0.273 4.393 4.120 -0.000 0.000 0.281 3701 V C 0.220 176.334 176.094 0.034 0.000 1.016 3701 V CA -0.289 62.020 62.300 0.015 0.000 0.832 3701 V CB 1.487 33.272 31.823 -0.063 0.000 0.999 3701 V HN 0.793 nan 8.190 nan 0.000 0.439 3702 S N 3.102 118.823 115.700 0.033 0.000 2.422 3702 S HA 0.304 4.774 4.470 -0.000 0.000 0.308 3702 S C -0.312 174.338 174.600 0.082 0.000 1.097 3702 S CA -0.573 57.663 58.200 0.060 0.000 1.099 3702 S CB 0.711 63.934 63.200 0.038 0.000 0.976 3702 S HN 0.825 nan 8.310 nan 0.000 0.471 3703 D N 4.089 124.565 120.400 0.127 0.000 2.564 3703 D HA 0.227 4.867 4.640 -0.000 0.000 0.226 3703 D C 1.072 177.460 176.300 0.145 0.000 1.149 3703 D CA -0.131 53.970 54.000 0.169 0.000 0.994 3703 D CB 0.359 41.346 40.800 0.312 0.000 1.029 3703 D HN 0.662 nan 8.370 nan 0.000 0.517 3704 E N 2.119 122.396 120.200 0.128 0.000 2.058 3704 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 3704 E C 2.071 178.674 176.600 0.004 0.000 0.997 3704 E CA 0.839 57.312 56.400 0.123 0.000 0.801 3704 E CB -0.001 29.814 29.700 0.192 0.000 0.746 3704 E HN 0.622 nan 8.360 nan 0.000 0.450 3705 I N 0.066 120.609 120.570 -0.044 0.000 3.435 3705 I HA -0.482 3.688 4.170 -0.000 0.000 0.191 3705 I C 1.262 177.180 176.117 -0.333 0.000 0.713 3705 I CA 1.932 63.115 61.300 -0.196 0.000 1.144 3705 I CB -0.346 37.504 38.000 -0.250 0.000 0.933 3705 I HN 0.233 nan 8.210 nan 0.000 0.313 3706 Y N 1.983 122.136 120.300 -0.245 0.000 2.502 3706 Y HA -0.024 4.526 4.550 -0.000 0.000 0.295 3706 Y C 2.088 177.782 175.900 -0.343 0.000 1.193 3706 Y CA 0.669 58.596 58.100 -0.287 0.000 1.295 3706 Y CB -0.423 37.853 38.460 -0.306 0.000 1.059 3706 Y HN 0.509 nan 8.280 nan 0.000 0.514 3707 E N -0.323 119.642 120.200 -0.391 0.000 2.108 3707 E HA -0.346 4.004 4.350 -0.000 0.000 0.203 3707 E C 0.933 177.238 176.600 -0.492 0.000 1.022 3707 E CA 2.386 58.329 56.400 -0.761 0.000 0.823 3707 E CB -0.755 28.297 29.700 -1.079 0.000 0.744 3707 E HN 0.623 nan 8.360 nan 0.000 0.456 3708 H N 0.217 119.153 119.070 -0.222 0.000 2.546 3708 H HA 0.152 4.708 4.556 -0.000 0.000 0.277 3708 H C 0.276 175.573 175.328 -0.051 0.000 1.004 3708 H CA 0.381 56.359 56.048 -0.117 0.000 1.231 3708 H CB 0.051 29.752 29.762 -0.103 0.000 1.382 3708 H HN 0.106 nan 8.280 nan 0.000 0.580 3709 L N 1.812 123.042 121.223 0.011 0.000 2.407 3709 L HA 0.227 4.567 4.340 -0.000 0.000 0.261 3709 L C -1.046 175.606 176.870 -0.363 0.000 1.108 3709 L CA -0.531 54.308 54.840 -0.002 0.000 0.995 3709 L CB 0.779 42.867 42.059 0.048 0.000 1.349 3709 L HN 0.085 nan 8.230 nan 0.000 0.423 3710 L N 1.674 122.722 121.223 -0.292 0.000 2.427 3710 L HA 0.347 4.687 4.340 -0.000 0.000 0.264 3710 L C 0.035 176.798 176.870 -0.178 0.000 0.989 3710 L CA -0.116 54.527 54.840 -0.328 0.000 0.865 3710 L CB 0.858 42.849 42.059 -0.113 0.000 1.209 3710 L HN 0.286 nan 8.230 nan 0.000 0.430 3711 Y N 1.849 122.204 120.300 0.092 0.000 2.206 3711 Y HA 0.177 4.727 4.550 -0.000 0.000 0.292 3711 Y C 0.299 176.238 175.900 0.065 0.000 1.123 3711 Y CA 0.107 58.255 58.100 0.080 0.000 1.142 3711 Y CB 0.426 38.933 38.460 0.079 0.000 1.006 3711 Y HN 0.438 nan 8.280 nan 0.000 0.518 3712 E N 0.089 120.384 120.200 0.159 0.000 2.502 3712 E HA 0.514 4.864 4.350 -0.000 0.000 0.261 3712 E C -0.276 176.371 176.600 0.079 0.000 0.974 3712 E CA -0.338 56.131 56.400 0.115 0.000 0.795 3712 E CB 1.541 31.316 29.700 0.125 0.000 1.385 3712 E HN 0.371 nan 8.360 nan 0.000 0.400 3713 G N 2.074 110.917 108.800 0.071 0.000 2.352 3713 G HA2 0.098 4.058 3.960 -0.000 0.000 0.283 3713 G HA3 0.098 4.058 3.960 -0.000 0.000 0.283 3713 G C -1.749 173.196 174.900 0.076 0.000 1.308 3713 G CA -0.822 44.319 45.100 0.069 0.000 0.892 3713 G HN 0.346 nan 8.290 nan 0.000 0.504 3714 E N -0.284 119.968 120.200 0.087 0.000 2.272 3714 E HA 0.491 4.841 4.350 -0.000 0.000 0.269 3714 E C -1.622 175.065 176.600 0.144 0.000 0.877 3714 E CA -0.836 55.629 56.400 0.109 0.000 0.755 3714 E CB 2.029 31.785 29.700 0.094 0.000 1.192 3714 E HN 0.620 nan 8.360 nan 0.000 0.422 3715 H N 3.998 123.104 119.070 0.060 0.000 2.846 3715 H HA 0.325 4.881 4.556 -0.000 0.000 0.278 3715 H C -1.614 173.786 175.328 0.120 0.000 1.117 3715 H CA -0.362 55.719 56.048 0.055 0.000 1.406 3715 H CB 0.080 29.829 29.762 -0.022 0.000 1.445 3715 H HN 0.412 nan 8.280 nan 0.000 0.469 3716 F N 3.821 123.527 119.950 -0.406 0.000 2.422 3716 F HA 0.488 5.015 4.527 -0.000 0.000 0.333 3716 F C -0.567 174.986 175.800 -0.412 0.000 1.095 3716 F CA -0.506 57.317 58.000 -0.296 0.000 1.038 3716 F CB 1.293 40.215 39.000 -0.130 0.000 1.156 3716 F HN 0.438 nan 8.300 nan 0.000 0.483 3717 S N 6.603 121.609 115.700 -1.156 0.000 2.475 3717 S HA 0.358 4.828 4.470 -0.000 0.000 0.298 3717 S C -2.210 171.740 174.600 -1.084 0.000 1.119 3717 S CA -1.066 56.659 58.200 -0.792 0.000 1.085 3717 S CB 1.817 64.755 63.200 -0.438 0.000 1.028 3717 S HN 0.503 nan 8.310 nan 0.000 0.489 3718 P HA 0.141 nan 4.420 nan 0.000 0.240 3718 P C 1.340 178.551 177.300 -0.148 0.000 1.190 3718 P CA 0.191 63.188 63.100 -0.172 0.000 0.781 3718 P CB -0.009 31.699 31.700 0.014 0.000 0.931 3719 G N -0.116 108.566 108.800 -0.196 0.000 2.625 3719 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.214 3719 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.214 3719 G C 1.596 176.421 174.900 -0.126 0.000 1.132 3719 G CA 0.192 45.209 45.100 -0.138 0.000 0.782 3719 G HN 0.214 nan 8.290 nan 0.000 0.538 3720 R N -0.553 119.840 120.500 -0.179 0.000 2.052 3720 R HA 0.045 4.385 4.340 -0.000 0.000 0.226 3720 R C 2.662 178.955 176.300 -0.012 0.000 1.145 3720 R CA 1.055 57.094 56.100 -0.101 0.000 0.952 3720 R CB -0.446 29.768 30.300 -0.142 0.000 0.847 3720 R HN 0.242 nan 8.270 nan 0.000 0.431 3721 V N 0.388 120.322 119.914 0.035 0.000 2.358 3721 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 3721 V C 0.984 177.082 176.094 0.007 0.000 1.047 3721 V CA 1.688 64.029 62.300 0.069 0.000 1.035 3721 V CB -0.204 31.714 31.823 0.158 0.000 0.658 3721 V HN 0.401 nan 8.190 nan 0.000 0.452 3722 A N -0.046 122.766 122.820 -0.014 0.000 3.216 3722 A HA 0.511 4.830 4.320 -0.000 0.000 0.321 3722 A C -1.330 176.268 177.584 0.023 0.000 1.042 3722 A CA -0.788 51.232 52.037 -0.029 0.000 0.838 3722 A CB 0.373 19.307 19.000 -0.110 0.000 1.136 3722 A HN 0.301 nan 8.150 nan 0.000 0.483 3723 P HA -0.214 nan 4.420 nan 0.000 0.222 3723 P C 0.721 178.041 177.300 0.033 0.000 1.147 3723 P CA 1.431 64.534 63.100 0.006 0.000 0.790 3723 P CB 0.182 31.876 31.700 -0.010 0.000 0.780 3724 E N -1.685 118.567 120.200 0.087 0.000 2.463 3724 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 3724 E C 0.726 177.300 176.600 -0.044 0.000 1.041 3724 E CA 0.025 56.448 56.400 0.038 0.000 0.879 3724 E CB -0.282 29.426 29.700 0.012 0.000 0.997 3724 E HN 0.324 nan 8.360 nan 0.000 0.478 3725 H N -0.393 118.660 119.070 -0.029 0.000 2.824 3725 H HA 0.204 4.760 4.556 -0.000 0.000 0.238 3725 H C 0.141 175.512 175.328 0.073 0.000 0.931 3725 H CA 0.508 56.537 56.048 -0.032 0.000 1.090 3725 H CB 0.678 30.355 29.762 -0.143 0.000 1.433 3725 H HN -0.060 nan 8.280 nan 0.000 0.437 3726 T N 1.861 116.502 114.554 0.145 0.000 2.919 3726 T HA 0.328 4.678 4.350 -0.000 0.000 0.302 3726 T C -0.319 174.396 174.700 0.024 0.000 1.031 3726 T CA 0.078 62.220 62.100 0.069 0.000 1.127 3726 T CB 0.251 69.120 68.868 0.002 0.000 0.952 3726 T HN 0.073 nan 8.240 nan 0.000 0.540 3727 L N 3.382 124.602 121.223 -0.006 0.000 2.372 3727 L HA 0.368 4.708 4.340 -0.000 0.000 0.274 3727 L C -0.231 176.595 176.870 -0.074 0.000 0.988 3727 L CA -0.603 54.197 54.840 -0.067 0.000 0.833 3727 L CB 1.778 43.776 42.059 -0.102 0.000 1.236 3727 L HN 0.658 nan 8.230 nan 0.000 0.410 3728 T N 2.605 117.083 114.554 -0.127 0.000 2.781 3728 T HA 0.411 4.761 4.350 -0.000 0.000 0.305 3728 T C -0.112 174.574 174.700 -0.022 0.000 1.001 3728 T CA -0.473 61.561 62.100 -0.110 0.000 0.950 3728 T CB 1.218 69.939 68.868 -0.245 0.000 0.955 3728 T HN 0.123 nan 8.240 nan 0.000 0.471 3729 V N 4.962 124.910 119.914 0.056 0.000 2.394 3729 V HA 0.527 4.647 4.120 -0.000 0.000 0.282 3729 V C 0.230 176.405 176.094 0.134 0.000 1.031 3729 V CA -0.703 61.661 62.300 0.107 0.000 0.881 3729 V CB 1.169 33.039 31.823 0.078 0.000 0.982 3729 V HN 0.815 nan 8.190 nan 0.000 0.451 3730 N N 2.074 120.867 118.700 0.154 0.000 2.902 3730 N HA 0.794 5.534 4.740 -0.000 0.000 0.268 3730 N C -0.600 174.690 175.510 -0.366 0.000 1.450 3730 N CA 0.106 53.174 53.050 0.030 0.000 0.819 3730 N CB 2.801 41.440 38.487 0.252 0.000 1.540 3730 N HN 0.830 nan 8.380 nan 0.000 0.545 3731 G N -1.508 106.957 108.800 -0.559 0.000 2.601 3731 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 3731 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 3731 G C -0.053 174.517 174.900 -0.551 0.000 1.456 3731 G CA 0.193 44.739 45.100 -0.924 0.000 0.804 3731 G HN 0.585 nan 8.290 nan 0.000 0.499 3732 A N 0.064 122.654 122.820 -0.384 0.000 1.929 3732 A HA 0.386 4.706 4.320 -0.000 0.000 0.216 3732 A C 2.796 180.318 177.584 -0.102 0.000 1.176 3732 A CA 2.397 54.398 52.037 -0.061 0.000 0.628 3732 A CB -0.991 18.096 19.000 0.145 0.000 0.816 3732 A HN 2.093 nan 8.150 nan 0.000 0.444 3733 A N 0.659 123.425 122.820 -0.089 0.000 1.883 3733 A HA -0.347 3.973 4.320 -0.000 0.000 0.226 3733 A C 2.105 179.675 177.584 -0.023 0.000 1.512 3733 A CA 2.522 54.543 52.037 -0.026 0.000 0.738 3733 A CB -0.701 18.268 19.000 -0.051 0.000 0.848 3733 A HN 0.418 nan 8.150 nan 0.000 0.477 3734 K N -0.625 119.683 120.400 -0.154 0.000 2.026 3734 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 3734 K C 2.379 178.964 176.600 -0.024 0.000 1.048 3734 K CA 1.460 57.665 56.287 -0.138 0.000 0.929 3734 K CB -0.993 31.193 32.500 -0.522 0.000 0.713 3734 K HN 0.553 nan 8.250 nan 0.000 0.439 3735 A N 1.085 123.798 122.820 -0.178 0.000 1.841 3735 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 3735 A C 1.824 179.450 177.584 0.070 0.000 1.195 3735 A CA 1.153 53.080 52.037 -0.184 0.000 0.611 3735 A CB -0.848 17.798 19.000 -0.589 0.000 0.835 3735 A HN 0.302 nan 8.150 nan 0.000 0.443 3736 F N -0.534 119.494 119.950 0.130 0.000 2.693 3736 F HA 0.408 4.935 4.527 -0.000 0.000 0.303 3736 F C 1.505 177.305 175.800 -0.001 0.000 1.143 3736 F CA 0.237 58.245 58.000 0.015 0.000 1.389 3736 F CB -0.121 38.770 39.000 -0.182 0.000 1.060 3736 F HN 0.377 nan 8.300 nan 0.000 0.535 3737 A N 0.356 123.403 122.820 0.377 0.000 2.826 3737 A HA -0.301 4.019 4.320 -0.000 0.000 0.274 3737 A C 0.961 178.718 177.584 0.289 0.000 1.443 3737 A CA 1.053 53.310 52.037 0.366 0.000 0.833 3737 A CB -2.244 17.055 19.000 0.498 0.000 1.023 3737 A HN 0.563 nan 8.150 nan 0.000 0.600 3738 M N 0.488 120.231 119.600 0.238 0.000 2.853 3738 M HA 0.027 4.507 4.480 -0.000 0.000 0.274 3738 M C 1.865 178.387 176.300 0.371 0.000 1.289 3738 M CA 0.704 56.198 55.300 0.323 0.000 1.031 3738 M CB -0.322 32.277 32.600 -0.002 0.000 1.352 3738 M HN 0.726 nan 8.290 nan 0.000 0.485 3739 T N -2.478 112.234 114.554 0.263 0.000 2.652 3739 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 3739 T C 1.913 176.708 174.700 0.157 0.000 1.039 3739 T CA 1.761 63.962 62.100 0.169 0.000 1.153 3739 T CB -0.889 68.055 68.868 0.127 0.000 0.863 3739 T HN 0.558 nan 8.240 nan 0.000 0.428 3740 G N -0.225 108.647 108.800 0.121 0.000 2.498 3740 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 3740 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 3740 G C 1.045 175.922 174.900 -0.038 0.000 1.119 3740 G CA 0.259 45.350 45.100 -0.014 0.000 0.766 3740 G HN 0.678 nan 8.290 nan 0.000 0.552 3741 W N -0.157 121.152 121.300 0.015 0.000 2.595 3741 W HA 0.244 4.904 4.660 -0.000 0.000 0.257 3741 W C 0.691 177.218 176.519 0.014 0.000 1.267 3741 W CA -0.146 57.209 57.345 0.016 0.000 1.300 3741 W CB 0.273 29.745 29.460 0.020 0.000 1.120 3741 W HN -0.047 nan 8.180 nan 0.000 0.618 3742 R N 0.254 120.878 120.500 0.206 0.000 3.146 3742 R HA -0.186 4.154 4.340 -0.000 0.000 0.250 3742 R C -0.875 175.490 176.300 0.108 0.000 0.912 3742 R CA 0.626 56.797 56.100 0.117 0.000 0.633 3742 R CB -2.920 27.426 30.300 0.076 0.000 1.180 3742 R HN 0.312 nan 8.270 nan 0.000 0.464 3743 I N -0.263 120.359 120.570 0.087 0.000 2.534 3743 I HA 0.519 4.689 4.170 -0.000 0.000 0.286 3743 I C 0.711 176.773 176.117 -0.093 0.000 1.094 3743 I CA -0.447 60.882 61.300 0.047 0.000 1.055 3743 I CB 2.313 40.374 38.000 0.102 0.000 1.225 3743 I HN 0.376 nan 8.210 nan 0.000 0.435 3744 G N 5.272 113.991 108.800 -0.135 0.000 2.730 3744 G HA2 0.813 4.773 3.960 -0.000 0.000 0.289 3744 G HA3 0.813 4.773 3.960 -0.000 0.000 0.289 3744 G C -1.938 172.815 174.900 -0.245 0.000 1.341 3744 G CA -0.389 44.481 45.100 -0.384 0.000 0.932 3744 G HN 0.505 nan 8.290 nan 0.000 0.481 3745 Y N -2.739 117.597 120.300 0.059 0.000 2.638 3745 Y HA 0.870 5.420 4.550 -0.000 0.000 0.335 3745 Y C -0.111 175.897 175.900 0.180 0.000 1.155 3745 Y CA -1.541 56.617 58.100 0.097 0.000 1.046 3745 Y CB 1.165 39.665 38.460 0.065 0.000 1.303 3745 Y HN 1.119 nan 8.280 nan 0.000 0.460 3746 A N 0.097 123.163 122.820 0.410 0.000 2.588 3746 A HA 0.923 5.243 4.320 -0.000 0.000 0.290 3746 A C -1.198 176.478 177.584 0.153 0.000 1.136 3746 A CA -0.318 51.884 52.037 0.274 0.000 0.681 3746 A CB 1.016 20.078 19.000 0.104 0.000 1.282 3746 A HN 1.889 nan 8.150 nan 0.000 0.421 3747 C N -1.519 117.709 119.300 -0.120 0.000 3.239 3747 C HA 1.066 5.526 4.460 -0.000 0.000 0.317 3747 C C 0.296 175.161 174.990 -0.210 0.000 1.310 3747 C CA 0.237 59.125 59.018 -0.217 0.000 1.371 3747 C CB 1.080 28.513 27.740 -0.512 0.000 1.714 3747 C HN 2.826 nan 8.230 nan 0.000 0.473 3748 G N 0.808 109.523 108.800 -0.140 0.000 2.398 3748 G HA2 0.523 4.483 3.960 -0.000 0.000 0.251 3748 G HA3 0.523 4.483 3.960 -0.000 0.000 0.251 3748 G C -3.548 171.319 174.900 -0.055 0.000 1.277 3748 G CA -0.636 44.405 45.100 -0.098 0.000 0.927 3748 G HN 0.611 nan 8.290 nan 0.000 0.477 3749 P HA 0.169 nan 4.420 nan 0.000 0.261 3749 P C 0.687 177.976 177.300 -0.018 0.000 1.183 3749 P CA 0.266 63.361 63.100 -0.009 0.000 0.761 3749 P CB 0.984 32.703 31.700 0.031 0.000 0.785 3750 K N 3.303 123.695 120.400 -0.014 0.000 2.228 3750 K HA -0.285 4.035 4.320 -0.000 0.000 0.205 3750 K C 1.580 178.173 176.600 -0.012 0.000 1.045 3750 K CA 1.692 57.971 56.287 -0.012 0.000 0.931 3750 K CB 0.039 32.534 32.500 -0.008 0.000 0.727 3750 K HN 0.287 nan 8.250 nan 0.000 0.458 3751 E N 0.168 120.363 120.200 -0.008 0.000 2.028 3751 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 3751 E C 1.764 178.350 176.600 -0.024 0.000 0.984 3751 E CA 1.221 57.617 56.400 -0.007 0.000 0.800 3751 E CB -0.239 29.466 29.700 0.008 0.000 0.758 3751 E HN 0.157 nan 8.360 nan 0.000 0.448 3752 V N 0.534 120.422 119.914 -0.044 0.000 2.548 3752 V HA -0.039 4.081 4.120 -0.000 0.000 0.249 3752 V C 1.582 177.625 176.094 -0.084 0.000 1.055 3752 V CA 1.235 63.474 62.300 -0.101 0.000 1.065 3752 V CB -0.302 31.393 31.823 -0.214 0.000 0.681 3752 V HN 0.326 nan 8.190 nan 0.000 0.462 3753 I N 0.568 121.104 120.570 -0.058 0.000 3.688 3753 I HA 0.094 4.264 4.170 -0.000 0.000 0.307 3753 I C 1.685 177.791 176.117 -0.018 0.000 1.287 3753 I CA 0.804 62.082 61.300 -0.037 0.000 1.192 3753 I CB -0.495 37.489 38.000 -0.027 0.000 1.043 3753 I HN 0.373 nan 8.210 nan 0.000 0.442 3754 K N 0.352 120.739 120.400 -0.021 0.000 2.603 3754 K HA 0.226 4.546 4.320 -0.000 0.000 0.216 3754 K C 1.565 178.158 176.600 -0.011 0.000 1.562 3754 K CA 0.558 56.839 56.287 -0.010 0.000 1.012 3754 K CB 0.374 32.869 32.500 -0.008 0.000 1.280 3754 K HN 0.116 nan 8.250 nan 0.000 0.620 3755 A N 1.502 124.308 122.820 -0.023 0.000 1.878 3755 A HA 0.059 4.379 4.320 -0.000 0.000 0.213 3755 A C 2.040 179.612 177.584 -0.019 0.000 1.192 3755 A CA 0.791 52.813 52.037 -0.024 0.000 0.619 3755 A CB -0.346 18.628 19.000 -0.043 0.000 0.837 3755 A HN 0.244 nan 8.150 nan 0.000 0.446 3756 M N -0.167 119.416 119.600 -0.028 0.000 2.073 3756 M HA -0.229 4.251 4.480 -0.000 0.000 0.258 3756 M C 2.525 178.834 176.300 0.015 0.000 1.070 3756 M CA 1.776 57.069 55.300 -0.011 0.000 1.103 3756 M CB -0.465 32.123 32.600 -0.020 0.000 1.321 3756 M HN 0.485 nan 8.290 nan 0.000 0.405 3757 A N -1.113 121.714 122.820 0.012 0.000 1.978 3757 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 3757 A C 2.232 179.827 177.584 0.020 0.000 1.170 3757 A CA 2.212 54.261 52.037 0.020 0.000 0.636 3757 A CB -0.810 18.198 19.000 0.014 0.000 0.810 3757 A HN 0.484 nan 8.150 nan 0.000 0.448 3758 S N -1.107 114.601 115.700 0.014 0.000 2.453 3758 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 3758 S C 1.766 176.381 174.600 0.025 0.000 1.005 3758 S CA 1.163 59.371 58.200 0.014 0.000 0.949 3758 S CB -0.305 62.899 63.200 0.007 0.000 0.774 3758 S HN 0.297 nan 8.310 nan 0.000 0.510 3759 V N 0.482 120.417 119.914 0.036 0.000 2.346 3759 V HA -0.047 4.073 4.120 -0.000 0.000 0.244 3759 V C 2.562 178.701 176.094 0.075 0.000 1.037 3759 V CA 1.773 64.109 62.300 0.060 0.000 1.029 3759 V CB -0.882 30.984 31.823 0.072 0.000 0.663 3759 V HN 0.524 nan 8.190 nan 0.000 0.454 3760 S N -0.304 115.437 115.700 0.069 0.000 2.365 3760 S HA -0.291 4.179 4.470 -0.000 0.000 0.225 3760 S C 2.208 176.837 174.600 0.049 0.000 1.039 3760 S CA 1.997 60.238 58.200 0.068 0.000 1.033 3760 S CB -0.310 62.925 63.200 0.059 0.000 0.887 3760 S HN 0.490 nan 8.310 nan 0.000 0.447 3761 R N 0.028 120.546 120.500 0.031 0.000 2.117 3761 R HA -0.021 4.319 4.340 -0.000 0.000 0.243 3761 R C 1.756 178.063 176.300 0.010 0.000 1.143 3761 R CA 1.429 57.534 56.100 0.009 0.000 0.968 3761 R CB -0.081 30.216 30.300 -0.004 0.000 0.863 3761 R HN 0.448 nan 8.270 nan 0.000 0.444 3762 Q N -1.070 118.747 119.800 0.029 0.000 2.220 3762 Q HA 0.068 4.408 4.340 -0.000 0.000 0.205 3762 Q C 1.044 177.077 176.000 0.055 0.000 0.865 3762 Q CA 0.429 56.253 55.803 0.035 0.000 0.960 3762 Q CB 1.533 30.292 28.738 0.035 0.000 1.097 3762 Q HN 0.349 nan 8.270 nan 0.000 0.493 3763 S N -1.302 114.436 115.700 0.064 0.000 3.148 3763 S HA -0.013 4.457 4.470 -0.000 0.000 0.246 3763 S C 1.817 176.446 174.600 0.048 0.000 1.041 3763 S CA 0.678 58.921 58.200 0.073 0.000 0.813 3763 S CB -0.120 63.147 63.200 0.111 0.000 0.813 3763 S HN 0.220 nan 8.310 nan 0.000 0.546 3764 T N -2.700 111.884 114.554 0.050 0.000 2.990 3764 T HA 0.310 4.660 4.350 -0.000 0.000 0.250 3764 T C 1.087 175.823 174.700 0.061 0.000 1.041 3764 T CA 1.046 63.175 62.100 0.049 0.000 1.010 3764 T CB -0.022 68.874 68.868 0.047 0.000 1.003 3764 T HN 0.395 nan 8.240 nan 0.000 0.499 3765 T N 0.206 114.786 114.554 0.044 0.000 11.087 3765 T HA -0.202 4.147 4.350 -0.000 0.000 0.385 3765 T C 0.120 174.842 174.700 0.038 0.000 1.679 3765 T CA 1.768 63.880 62.100 0.019 0.000 2.690 3765 T CB -1.795 67.082 68.868 0.016 0.000 2.619 3765 T HN 1.152 nan 8.240 nan 0.000 0.900 3766 S N -0.071 115.674 115.700 0.075 0.000 2.758 3766 S HA 0.429 4.899 4.470 -0.000 0.000 0.278 3766 S C -3.263 171.395 174.600 0.097 0.000 0.905 3766 S CA -0.690 57.561 58.200 0.084 0.000 0.960 3766 S CB 0.637 63.898 63.200 0.100 0.000 1.211 3766 S HN 0.101 nan 8.310 nan 0.000 0.462 3767 P HA 0.253 nan 4.420 nan 0.000 0.272 3767 P C -1.101 176.262 177.300 0.105 0.000 1.230 3767 P CA -0.111 63.042 63.100 0.088 0.000 0.788 3767 P CB 0.231 31.979 31.700 0.080 0.000 0.949 3768 D N 0.660 121.124 120.400 0.105 0.000 2.455 3768 D HA -0.060 4.580 4.640 -0.000 0.000 0.265 3768 D C 0.691 177.075 176.300 0.140 0.000 1.284 3768 D CA 0.762 54.829 54.000 0.112 0.000 0.944 3768 D CB -0.029 40.836 40.800 0.108 0.000 1.121 3768 D HN 0.217 nan 8.370 nan 0.000 0.525 3769 T N 4.718 119.362 114.554 0.150 0.000 2.620 3769 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 3769 T C 1.877 176.761 174.700 0.306 0.000 1.044 3769 T CA 1.073 63.300 62.100 0.213 0.000 1.161 3769 T CB -0.130 68.875 68.868 0.227 0.000 0.862 3769 T HN 0.496 nan 8.240 nan 0.000 0.438 3770 I N 1.851 122.571 120.570 0.251 0.000 2.151 3770 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 3770 I C 2.952 179.249 176.117 0.300 0.000 1.080 3770 I CA 1.477 62.936 61.300 0.266 0.000 1.339 3770 I CB -1.786 36.326 38.000 0.186 0.000 1.039 3770 I HN 0.241 nan 8.210 nan 0.000 0.409 3771 A N 0.348 123.336 122.820 0.281 0.000 1.933 3771 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 3771 A C 2.255 179.917 177.584 0.129 0.000 1.175 3771 A CA 1.299 53.504 52.037 0.279 0.000 0.628 3771 A CB -0.544 18.646 19.000 0.317 0.000 0.814 3771 A HN 0.546 nan 8.150 nan 0.000 0.444 3772 Q N -1.334 118.526 119.800 0.101 0.000 2.030 3772 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 3772 Q C 2.026 177.956 176.000 -0.117 0.000 0.986 3772 Q CA 1.894 57.667 55.803 -0.050 0.000 0.843 3772 Q CB -0.359 28.288 28.738 -0.152 0.000 0.904 3772 Q HN 0.908 nan 8.270 nan 0.000 0.420 3773 W N 0.726 122.025 121.300 -0.001 0.000 2.363 3773 W HA -0.106 4.554 4.660 -0.000 0.000 0.296 3773 W C 2.571 179.044 176.519 -0.075 0.000 1.212 3773 W CA 0.929 58.257 57.345 -0.028 0.000 1.260 3773 W CB -0.383 29.071 29.460 -0.010 0.000 1.131 3773 W HN 0.200 nan 8.180 nan 0.000 0.530 3774 A N 0.022 122.913 122.820 0.117 0.000 1.883 3774 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 3774 A C 1.907 179.353 177.584 -0.229 0.000 1.186 3774 A CA 2.528 54.501 52.037 -0.106 0.000 0.624 3774 A CB -1.296 17.556 19.000 -0.247 0.000 0.822 3774 A HN 0.239 nan 8.150 nan 0.000 0.444 3775 T N 0.184 114.629 114.554 -0.182 0.000 2.777 3775 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 3775 T C 1.813 176.419 174.700 -0.156 0.000 1.040 3775 T CA 1.134 63.134 62.100 -0.168 0.000 1.141 3775 T CB -0.398 68.446 68.868 -0.040 0.000 0.868 3775 T HN 0.366 nan 8.240 nan 0.000 0.444 3776 L N 0.890 122.033 121.223 -0.134 0.000 2.189 3776 L HA -0.204 4.136 4.340 -0.000 0.000 0.214 3776 L C 2.564 179.373 176.870 -0.101 0.000 1.097 3776 L CA 1.710 56.471 54.840 -0.133 0.000 0.764 3776 L CB -0.178 41.794 42.059 -0.145 0.000 0.900 3776 L HN 0.273 nan 8.230 nan 0.000 0.436 3777 E N -0.263 119.875 120.200 -0.104 0.000 2.122 3777 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 3777 E C 2.003 178.499 176.600 -0.175 0.000 0.977 3777 E CA 1.177 57.518 56.400 -0.099 0.000 0.820 3777 E CB -0.060 29.592 29.700 -0.080 0.000 0.770 3777 E HN 0.441 nan 8.360 nan 0.000 0.462 3778 A N 0.714 123.326 122.820 -0.348 0.000 1.933 3778 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 3778 A C 2.217 179.545 177.584 -0.426 0.000 1.175 3778 A CA 1.247 52.912 52.037 -0.620 0.000 0.628 3778 A CB -0.619 17.738 19.000 -1.072 0.000 0.814 3778 A HN 0.341 nan 8.150 nan 0.000 0.444 3779 L N -0.469 120.620 121.223 -0.223 0.000 2.007 3779 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 3779 L C 3.039 179.855 176.870 -0.090 0.000 1.073 3779 L CA 1.896 56.673 54.840 -0.106 0.000 0.744 3779 L CB -0.922 41.058 42.059 -0.131 0.000 0.898 3779 L HN 0.617 nan 8.230 nan 0.000 0.435 3780 T N -3.503 110.996 114.554 -0.092 0.000 2.995 3780 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 3780 T C 1.188 175.857 174.700 -0.052 0.000 1.091 3780 T CA 0.474 62.536 62.100 -0.062 0.000 1.128 3780 T CB -0.368 68.470 68.868 -0.049 0.000 0.891 3780 T HN 0.101 nan 8.240 nan 0.000 0.492 3781 N N 1.795 120.460 118.700 -0.059 0.000 3.188 3781 N HA 0.143 4.883 4.740 -0.000 0.000 0.279 3781 N C 0.907 176.371 175.510 -0.077 0.000 1.213 3781 N CA -0.153 52.860 53.050 -0.061 0.000 1.138 3781 N CB 0.374 38.836 38.487 -0.042 0.000 1.417 3781 N HN 0.563 nan 8.380 nan 0.000 0.526 3782 Q N 0.985 120.751 119.800 -0.056 0.000 1.927 3782 Q HA -0.207 4.133 4.340 -0.000 0.000 0.210 3782 Q C 1.012 176.975 176.000 -0.060 0.000 1.001 3782 Q CA 1.476 57.254 55.803 -0.041 0.000 0.862 3782 Q CB -0.067 28.658 28.738 -0.022 0.000 0.934 3782 Q HN 0.481 nan 8.270 nan 0.000 0.420 3783 E N 0.134 120.296 120.200 -0.064 0.000 2.301 3783 E HA -0.336 4.014 4.350 -0.000 0.000 0.224 3783 E C 1.777 178.307 176.600 -0.117 0.000 1.092 3783 E CA 1.823 58.178 56.400 -0.077 0.000 0.913 3783 E CB -0.420 29.233 29.700 -0.078 0.000 0.776 3783 E HN 0.482 nan 8.360 nan 0.000 0.465 3784 A N 0.515 123.211 122.820 -0.207 0.000 1.861 3784 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 3784 A C 2.503 179.949 177.584 -0.230 0.000 1.199 3784 A CA 1.430 53.240 52.037 -0.378 0.000 0.613 3784 A CB -0.415 18.057 19.000 -0.880 0.000 0.846 3784 A HN 0.208 nan 8.150 nan 0.000 0.446 3785 S N -0.379 115.250 115.700 -0.120 0.000 2.368 3785 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 3785 S C 2.062 176.722 174.600 0.100 0.000 1.030 3785 S CA 1.423 59.649 58.200 0.043 0.000 0.999 3785 S CB -0.404 62.754 63.200 -0.070 0.000 0.844 3785 S HN 0.647 nan 8.310 nan 0.000 0.459 3786 R N 1.533 122.051 120.500 0.030 0.000 2.117 3786 R HA -0.155 4.185 4.340 -0.000 0.000 0.243 3786 R C 2.176 178.493 176.300 0.029 0.000 1.143 3786 R CA 1.532 57.646 56.100 0.024 0.000 0.968 3786 R CB -0.461 29.841 30.300 0.002 0.000 0.863 3786 R HN 0.388 nan 8.270 nan 0.000 0.444 3787 A N 0.184 123.019 122.820 0.024 0.000 1.897 3787 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 3787 A C 1.953 179.558 177.584 0.035 0.000 1.181 3787 A CA 0.973 53.018 52.037 0.014 0.000 0.620 3787 A CB -0.700 18.296 19.000 -0.006 0.000 0.821 3787 A HN 0.529 nan 8.150 nan 0.000 0.443 3788 F N 0.972 120.900 119.950 -0.037 0.000 2.102 3788 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 3788 F C 2.198 177.954 175.800 -0.074 0.000 1.105 3788 F CA 2.027 60.000 58.000 -0.044 0.000 1.239 3788 F CB -0.370 38.651 39.000 0.036 0.000 0.991 3788 F HN 0.031 nan 8.300 nan 0.000 0.474 3789 V N 0.831 120.800 119.914 0.092 0.000 2.255 3789 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 3789 V C 2.480 178.498 176.094 -0.127 0.000 1.051 3789 V CA 2.238 64.526 62.300 -0.020 0.000 1.018 3789 V CB -0.851 30.978 31.823 0.010 0.000 0.641 3789 V HN 0.297 nan 8.190 nan 0.000 0.445 3790 E N -0.370 119.783 120.200 -0.078 0.000 2.114 3790 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 3790 E C 2.063 178.566 176.600 -0.161 0.000 1.008 3790 E CA 1.988 58.340 56.400 -0.079 0.000 0.810 3790 E CB -0.483 29.188 29.700 -0.049 0.000 0.739 3790 E HN 0.602 nan 8.360 nan 0.000 0.456 3791 M N 0.139 119.580 119.600 -0.266 0.000 2.123 3791 M HA -0.084 4.395 4.480 -0.000 0.000 0.263 3791 M C 2.223 178.195 176.300 -0.546 0.000 1.069 3791 M CA 1.634 56.721 55.300 -0.355 0.000 1.133 3791 M CB -0.175 32.193 32.600 -0.387 0.000 1.356 3791 M HN 0.063 nan 8.290 nan 0.000 0.415 3792 A N 0.930 123.261 122.820 -0.815 0.000 1.865 3792 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 3792 A C 2.247 179.380 177.584 -0.753 0.000 1.191 3792 A CA 2.093 53.457 52.037 -1.122 0.000 0.623 3792 A CB -0.930 17.459 19.000 -1.018 0.000 0.826 3792 A HN 0.623 nan 8.150 nan 0.000 0.444 3793 R N -0.521 119.853 120.500 -0.210 0.000 2.113 3793 R HA -0.190 4.150 4.340 -0.000 0.000 0.231 3793 R C 2.111 178.451 176.300 0.065 0.000 1.129 3793 R CA 1.908 58.108 56.100 0.166 0.000 0.915 3793 R CB -0.390 30.027 30.300 0.195 0.000 0.837 3793 R HN 0.514 nan 8.270 nan 0.000 0.430 3794 E N 0.164 120.342 120.200 -0.036 0.000 2.187 3794 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 3794 E C 1.786 178.318 176.600 -0.115 0.000 1.004 3794 E CA 1.331 57.693 56.400 -0.064 0.000 0.813 3794 E CB -0.315 29.343 29.700 -0.070 0.000 0.736 3794 E HN 0.500 nan 8.360 nan 0.000 0.468 3795 A N 0.823 123.524 122.820 -0.199 0.000 1.828 3795 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 3795 A C 2.102 179.647 177.584 -0.065 0.000 1.203 3795 A CA 1.505 53.440 52.037 -0.169 0.000 0.614 3795 A CB -1.297 17.535 19.000 -0.281 0.000 0.844 3795 A HN 0.327 nan 8.150 nan 0.000 0.445 3796 Y N -0.488 119.856 120.300 0.073 0.000 2.241 3796 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 3796 Y C 2.633 178.386 175.900 -0.245 0.000 1.166 3796 Y CA 1.461 59.620 58.100 0.098 0.000 1.203 3796 Y CB -0.269 38.391 38.460 0.334 0.000 0.977 3796 Y HN 0.281 nan 8.280 nan 0.000 0.529 3797 R N 1.059 121.378 120.500 -0.302 0.000 2.073 3797 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 3797 R C 2.466 178.564 176.300 -0.336 0.000 1.134 3797 R CA 1.647 57.403 56.100 -0.573 0.000 0.952 3797 R CB -0.281 29.795 30.300 -0.373 0.000 0.850 3797 R HN 0.300 nan 8.270 nan 0.000 0.433 3798 R N 0.331 120.718 120.500 -0.188 0.000 2.096 3798 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 3798 R C 2.218 178.438 176.300 -0.133 0.000 1.127 3798 R CA 1.474 57.495 56.100 -0.131 0.000 0.968 3798 R CB -0.001 30.252 30.300 -0.079 0.000 0.861 3798 R HN 0.244 nan 8.270 nan 0.000 0.440 3799 R N -0.144 120.286 120.500 -0.118 0.000 2.073 3799 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 3799 R C 2.447 178.574 176.300 -0.288 0.000 1.120 3799 R CA 0.904 56.949 56.100 -0.092 0.000 0.967 3799 R CB -0.447 29.896 30.300 0.071 0.000 0.862 3799 R HN 0.119 nan 8.270 nan 0.000 0.436 3800 R N 1.543 121.692 120.500 -0.586 0.000 2.105 3800 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 3800 R C 0.775 176.822 176.300 -0.422 0.000 1.135 3800 R CA 1.825 57.363 56.100 -0.937 0.000 0.967 3800 R CB -0.285 29.412 30.300 -1.006 0.000 0.861 3800 R HN 0.180 nan 8.270 nan 0.000 0.442 3801 D N 0.674 120.907 120.400 -0.278 0.000 2.194 3801 D HA -0.101 4.539 4.640 -0.000 0.000 0.204 3801 D C 1.900 178.137 176.300 -0.105 0.000 0.964 3801 D CA 0.282 54.190 54.000 -0.154 0.000 0.846 3801 D CB -0.033 40.695 40.800 -0.120 0.000 0.962 3801 D HN 0.121 nan 8.370 nan 0.000 0.490 3802 L N 0.837 121.995 121.223 -0.108 0.000 1.961 3802 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 3802 L C 2.418 179.260 176.870 -0.048 0.000 1.072 3802 L CA 1.177 55.978 54.840 -0.065 0.000 0.749 3802 L CB -1.006 41.018 42.059 -0.058 0.000 0.889 3802 L HN 0.067 nan 8.230 nan 0.000 0.432 3803 L N -0.200 120.989 121.223 -0.057 0.000 1.978 3803 L HA -0.284 4.056 4.340 -0.000 0.000 0.218 3803 L C 2.515 179.398 176.870 0.021 0.000 1.075 3803 L CA 1.792 56.630 54.840 -0.003 0.000 0.767 3803 L CB -0.834 41.240 42.059 0.025 0.000 0.890 3803 L HN 0.198 nan 8.230 nan 0.000 0.434 3804 L N -0.607 120.608 121.223 -0.013 0.000 2.043 3804 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 3804 L C 2.725 179.608 176.870 0.022 0.000 1.075 3804 L CA 1.746 56.594 54.840 0.014 0.000 0.752 3804 L CB -1.515 40.538 42.059 -0.010 0.000 0.891 3804 L HN 0.449 nan 8.230 nan 0.000 0.432 3805 E N -0.149 120.053 120.200 0.003 0.000 2.028 3805 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 3805 E C 2.109 178.723 176.600 0.023 0.000 0.988 3805 E CA 1.359 57.764 56.400 0.009 0.000 0.799 3805 E CB -0.384 29.313 29.700 -0.005 0.000 0.755 3805 E HN 0.451 nan 8.360 nan 0.000 0.447 3806 G N 1.159 109.973 108.800 0.023 0.000 2.432 3806 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 3806 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 3806 G C 1.810 176.755 174.900 0.074 0.000 1.135 3806 G CA 0.542 45.664 45.100 0.037 0.000 0.767 3806 G HN 0.205 nan 8.290 nan 0.000 0.550 3807 L N 0.898 122.177 121.223 0.094 0.000 1.970 3807 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 3807 L C 3.386 180.312 176.870 0.093 0.000 1.071 3807 L CA 2.118 57.038 54.840 0.134 0.000 0.751 3807 L CB -0.611 41.532 42.059 0.139 0.000 0.889 3807 L HN 0.470 nan 8.230 nan 0.000 0.432 3808 T N -3.377 111.218 114.554 0.068 0.000 2.995 3808 T HA 0.003 4.353 4.350 -0.000 0.000 0.269 3808 T C 1.718 176.443 174.700 0.042 0.000 1.091 3808 T CA 0.688 62.819 62.100 0.051 0.000 1.128 3808 T CB -0.195 68.701 68.868 0.045 0.000 0.891 3808 T HN 0.338 nan 8.240 nan 0.000 0.492 3809 A N 1.427 124.273 122.820 0.042 0.000 1.929 3809 A HA 0.288 4.608 4.320 -0.000 0.000 0.216 3809 A C 2.313 179.921 177.584 0.039 0.000 1.176 3809 A CA 0.752 52.810 52.037 0.034 0.000 0.628 3809 A CB -0.764 18.254 19.000 0.030 0.000 0.816 3809 A HN 0.522 nan 8.150 nan 0.000 0.444 3810 L N -1.884 119.371 121.223 0.054 0.000 2.291 3810 L HA 0.048 4.388 4.340 -0.000 0.000 0.214 3810 L C 1.963 178.859 176.870 0.043 0.000 1.120 3810 L CA 0.936 55.811 54.840 0.059 0.000 0.799 3810 L CB -0.048 42.069 42.059 0.097 0.000 0.925 3810 L HN 0.640 nan 8.230 nan 0.000 0.446 3811 G N -0.640 108.183 108.800 0.038 0.000 2.307 3811 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.210 3811 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.210 3811 G C 0.305 175.217 174.900 0.020 0.000 1.005 3811 G CA -0.351 44.764 45.100 0.025 0.000 0.634 3811 G HN 0.114 nan 8.290 nan 0.000 0.496 3812 L N 1.877 123.113 121.223 0.021 0.000 2.525 3812 L HA 0.282 4.622 4.340 -0.000 0.000 0.278 3812 L C 0.391 177.277 176.870 0.027 0.000 1.218 3812 L CA 0.021 54.864 54.840 0.005 0.000 0.878 3812 L CB 0.395 42.445 42.059 -0.015 0.000 1.127 3812 L HN 0.016 nan 8.230 nan 0.000 0.492 3813 K N 3.289 123.702 120.400 0.021 0.000 2.183 3813 K HA 0.740 5.060 4.320 -0.000 0.000 0.274 3813 K C -0.517 176.138 176.600 0.091 0.000 1.009 3813 K CA -0.287 56.031 56.287 0.051 0.000 0.888 3813 K CB 1.825 34.351 32.500 0.044 0.000 1.078 3813 K HN 0.662 nan 8.250 nan 0.000 0.459 3814 A N 1.895 124.782 122.820 0.112 0.000 2.549 3814 A HA 0.433 4.753 4.320 -0.000 0.000 0.297 3814 A C -1.116 176.559 177.584 0.151 0.000 1.061 3814 A CA -0.721 51.404 52.037 0.148 0.000 0.690 3814 A CB 1.583 20.665 19.000 0.136 0.000 1.287 3814 A HN 0.342 nan 8.150 nan 0.000 0.402 3815 V N 3.099 123.125 119.914 0.187 0.000 2.408 3815 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 3815 V C 1.014 177.205 176.094 0.162 0.000 1.047 3815 V CA -0.246 62.170 62.300 0.193 0.000 0.937 3815 V CB 0.736 32.744 31.823 0.308 0.000 0.999 3815 V HN 0.848 nan 8.190 nan 0.000 0.472 3816 R N 7.248 127.827 120.500 0.132 0.000 2.473 3816 R HA 0.108 4.448 4.340 -0.000 0.000 0.315 3816 R C -2.357 174.029 176.300 0.142 0.000 0.972 3816 R CA -0.813 55.358 56.100 0.117 0.000 1.047 3816 R CB 0.461 30.815 30.300 0.090 0.000 0.932 3816 R HN 0.468 nan 8.270 nan 0.000 0.411 3817 P HA 0.211 nan 4.420 nan 0.000 0.279 3817 P C -0.593 176.834 177.300 0.212 0.000 1.252 3817 P CA -0.472 62.739 63.100 0.185 0.000 0.811 3817 P CB 1.540 33.387 31.700 0.246 0.000 1.035 3818 S N -1.006 114.790 115.700 0.160 0.000 2.554 3818 S HA 0.387 4.857 4.470 -0.000 0.000 0.227 3818 S C 0.618 175.184 174.600 -0.057 0.000 1.050 3818 S CA 0.183 58.469 58.200 0.143 0.000 0.927 3818 S CB 0.443 63.695 63.200 0.087 0.000 0.859 3818 S HN 0.688 nan 8.310 nan 0.000 0.494 3819 G N 0.143 108.863 108.800 -0.133 0.000 2.725 3819 G HA2 0.718 4.678 3.960 -0.000 0.000 0.288 3819 G HA3 0.718 4.678 3.960 -0.000 0.000 0.288 3819 G C -0.550 174.198 174.900 -0.253 0.000 1.399 3819 G CA -0.056 44.811 45.100 -0.389 0.000 0.859 3819 G HN 0.808 nan 8.290 nan 0.000 0.479 3820 A N -1.337 121.293 122.820 -0.317 0.000 6.647 3820 A HA 0.184 4.504 4.320 -0.000 0.000 0.236 3820 A C 0.123 177.509 177.584 -0.329 0.000 2.220 3820 A CA 1.160 52.923 52.037 -0.456 0.000 0.695 3820 A CB -1.380 17.154 19.000 -0.777 0.000 0.942 3820 A HN 2.298 nan 8.150 nan 0.000 0.371 3821 F N -2.649 116.886 119.950 -0.691 0.000 2.879 3821 F HA 0.703 5.230 4.527 -0.000 0.000 0.354 3821 F C -0.261 174.637 175.800 -1.503 0.000 1.291 3821 F CA -0.927 56.419 58.000 -1.090 0.000 1.238 3821 F CB -0.742 37.624 39.000 -1.056 0.000 1.005 3821 F HN 0.473 nan 8.300 nan 0.000 0.508 3822 Y N -0.794 119.320 120.300 -0.309 0.000 2.587 3822 Y HA 0.802 5.352 4.550 -0.000 0.000 0.337 3822 Y C -0.428 175.495 175.900 0.038 0.000 1.065 3822 Y CA -1.828 56.162 58.100 -0.183 0.000 1.126 3822 Y CB 2.381 40.695 38.460 -0.244 0.000 1.279 3822 Y HN -0.175 nan 8.280 nan 0.000 0.489 3823 V N 2.733 122.777 119.914 0.216 0.000 2.752 3823 V HA 0.225 4.345 4.120 -0.000 0.000 0.302 3823 V C -0.970 175.171 176.094 0.079 0.000 1.133 3823 V CA -0.852 61.562 62.300 0.191 0.000 0.919 3823 V CB 2.099 34.089 31.823 0.277 0.000 1.026 3823 V HN 0.589 nan 8.190 nan 0.000 0.429 3824 L N 5.357 126.584 121.223 0.006 0.000 2.268 3824 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 3824 L C 0.095 177.052 176.870 0.145 0.000 1.064 3824 L CA 0.039 54.857 54.840 -0.037 0.000 0.824 3824 L CB 1.098 43.003 42.059 -0.257 0.000 1.202 3824 L HN 0.689 nan 8.230 nan 0.000 0.433 3825 M N 3.128 122.814 119.600 0.144 0.000 2.274 3825 M HA 0.173 4.653 4.480 -0.000 0.000 0.344 3825 M C -0.370 175.994 176.300 0.108 0.000 1.161 3825 M CA -0.363 55.017 55.300 0.133 0.000 1.126 3825 M CB 1.311 33.940 32.600 0.049 0.000 1.522 3825 M HN 0.371 nan 8.290 nan 0.000 0.461 3826 D N 2.310 122.710 120.400 0.001 0.000 2.422 3826 D HA 0.089 4.729 4.640 -0.000 0.000 0.227 3826 D C 1.047 177.240 176.300 -0.179 0.000 1.190 3826 D CA -0.059 53.792 54.000 -0.248 0.000 0.905 3826 D CB 0.723 41.406 40.800 -0.196 0.000 1.034 3826 D HN 0.700 nan 8.370 nan 0.000 0.507 3827 T N 0.165 114.611 114.554 -0.180 0.000 3.139 3827 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 3827 T C 1.923 176.557 174.700 -0.110 0.000 1.164 3827 T CA 0.789 62.809 62.100 -0.133 0.000 1.075 3827 T CB -0.204 68.603 68.868 -0.101 0.000 0.904 3827 T HN 0.220 nan 8.240 nan 0.000 0.540 3828 S N 2.866 118.493 115.700 -0.120 0.000 2.393 3828 S HA -0.107 4.363 4.470 -0.000 0.000 0.234 3828 S C -0.023 174.544 174.600 -0.056 0.000 1.064 3828 S CA 1.845 59.996 58.200 -0.082 0.000 1.088 3828 S CB -0.902 62.250 63.200 -0.080 0.000 0.939 3828 S HN 0.671 nan 8.310 nan 0.000 0.448 3829 P HA 0.271 nan 4.420 nan 0.000 0.261 3829 P C 1.164 178.437 177.300 -0.046 0.000 1.268 3829 P CA 0.238 63.313 63.100 -0.042 0.000 0.833 3829 P CB 0.022 31.701 31.700 -0.035 0.000 1.231 3830 I N -0.898 119.633 120.570 -0.064 0.000 3.427 3830 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 3830 I C 0.540 176.628 176.117 -0.049 0.000 1.249 3830 I CA 0.196 61.455 61.300 -0.069 0.000 1.421 3830 I CB 0.348 38.278 38.000 -0.116 0.000 1.086 3830 I HN -0.086 nan 8.210 nan 0.000 0.448 3831 A N -0.105 122.690 122.820 -0.042 0.000 2.522 3831 A HA 0.362 4.682 4.320 -0.000 0.000 0.291 3831 A C -2.329 175.241 177.584 -0.024 0.000 1.039 3831 A CA -0.620 51.401 52.037 -0.027 0.000 0.643 3831 A CB -0.055 18.931 19.000 -0.023 0.000 1.310 3831 A HN -0.114 nan 8.150 nan 0.000 0.436 3832 P HA 0.062 nan 4.420 nan 0.000 0.222 3832 P C -0.072 177.227 177.300 -0.002 0.000 1.153 3832 P CA 1.812 64.907 63.100 -0.009 0.000 0.798 3832 P CB -0.017 31.680 31.700 -0.005 0.000 0.796 3833 D N -1.013 119.390 120.400 0.005 0.000 2.714 3833 D HA 0.043 4.682 4.640 -0.000 0.000 0.278 3833 D C 0.671 176.985 176.300 0.024 0.000 1.102 3833 D CA -0.593 53.422 54.000 0.026 0.000 1.108 3833 D CB 0.243 41.067 40.800 0.039 0.000 1.444 3833 D HN -0.164 nan 8.370 nan 0.000 0.568 3834 E N 0.023 120.255 120.200 0.054 0.000 2.465 3834 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 3834 E C 0.544 177.165 176.600 0.036 0.000 1.053 3834 E CA 0.172 56.596 56.400 0.039 0.000 0.869 3834 E CB -0.077 29.659 29.700 0.059 0.000 0.977 3834 E HN 0.273 nan 8.360 nan 0.000 0.483 3835 V N 0.659 120.597 119.914 0.040 0.000 2.690 3835 V HA 0.071 4.191 4.120 -0.000 0.000 0.240 3835 V C 2.433 178.540 176.094 0.022 0.000 1.078 3835 V CA 0.852 63.173 62.300 0.035 0.000 1.102 3835 V CB -0.323 31.527 31.823 0.044 0.000 0.800 3835 V HN 0.108 nan 8.190 nan 0.000 0.479 3836 R N 1.007 121.517 120.500 0.017 0.000 2.073 3836 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 3836 R C 2.475 178.777 176.300 0.003 0.000 1.134 3836 R CA 1.484 57.591 56.100 0.011 0.000 0.952 3836 R CB -0.722 29.583 30.300 0.008 0.000 0.850 3836 R HN 0.491 nan 8.270 nan 0.000 0.433 3837 A N 1.536 124.354 122.820 -0.004 0.000 1.958 3837 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 3837 A C 2.392 179.965 177.584 -0.019 0.000 1.178 3837 A CA 2.041 54.065 52.037 -0.023 0.000 0.642 3837 A CB -0.770 18.209 19.000 -0.035 0.000 0.816 3837 A HN 0.448 nan 8.150 nan 0.000 0.453 3838 A N -0.376 122.443 122.820 -0.002 0.000 1.898 3838 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 3838 A C 1.948 179.543 177.584 0.019 0.000 1.181 3838 A CA 1.565 53.608 52.037 0.010 0.000 0.620 3838 A CB -0.472 18.541 19.000 0.021 0.000 0.819 3838 A HN 0.675 nan 8.150 nan 0.000 0.442 3839 E N -0.751 119.460 120.200 0.017 0.000 2.046 3839 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 3839 E C 2.225 178.837 176.600 0.020 0.000 0.982 3839 E CA 1.166 57.579 56.400 0.020 0.000 0.800 3839 E CB -0.232 29.479 29.700 0.018 0.000 0.756 3839 E HN 0.515 nan 8.360 nan 0.000 0.449 3840 R N 1.596 122.103 120.500 0.012 0.000 2.117 3840 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 3840 R C 2.042 178.356 176.300 0.023 0.000 1.143 3840 R CA 1.264 57.370 56.100 0.011 0.000 0.968 3840 R CB -0.490 29.809 30.300 -0.003 0.000 0.863 3840 R HN 0.178 nan 8.270 nan 0.000 0.444 3841 L N -0.455 120.783 121.223 0.024 0.000 2.240 3841 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 3841 L C 2.241 179.160 176.870 0.083 0.000 1.106 3841 L CA 0.489 55.365 54.840 0.060 0.000 0.793 3841 L CB -0.236 41.851 42.059 0.046 0.000 0.927 3841 L HN 0.266 nan 8.230 nan 0.000 0.446 3842 L N -0.363 120.896 121.223 0.059 0.000 2.156 3842 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 3842 L C 2.552 179.451 176.870 0.048 0.000 1.095 3842 L CA 0.954 55.827 54.840 0.055 0.000 0.770 3842 L CB -0.233 41.851 42.059 0.042 0.000 0.914 3842 L HN 0.319 nan 8.230 nan 0.000 0.439 3843 E N 0.275 120.500 120.200 0.042 0.000 2.110 3843 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 3843 E C 1.735 178.360 176.600 0.042 0.000 0.988 3843 E CA 1.230 57.652 56.400 0.036 0.000 0.804 3843 E CB -0.127 29.591 29.700 0.030 0.000 0.745 3843 E HN 0.404 nan 8.360 nan 0.000 0.458 3844 A N 0.338 123.193 122.820 0.060 0.000 2.327 3844 A HA 0.378 4.698 4.320 -0.000 0.000 0.228 3844 A C 1.180 178.803 177.584 0.066 0.000 1.275 3844 A CA 0.566 52.644 52.037 0.068 0.000 0.875 3844 A CB -0.502 18.559 19.000 0.101 0.000 0.925 3844 A HN 0.174 nan 8.150 nan 0.000 0.493 3845 G N -1.004 107.828 108.800 0.055 0.000 2.351 3845 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.297 3845 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.297 3845 G C -0.201 174.730 174.900 0.051 0.000 1.054 3845 G CA 0.493 45.619 45.100 0.043 0.000 1.123 3845 G HN 1.522 nan 8.290 nan 0.000 0.512 3846 V N -0.067 119.896 119.914 0.082 0.000 2.663 3846 V HA 0.715 4.835 4.120 -0.000 0.000 0.286 3846 V C 0.183 176.348 176.094 0.120 0.000 1.085 3846 V CA 0.012 62.374 62.300 0.104 0.000 0.916 3846 V CB 1.322 33.245 31.823 0.167 0.000 1.039 3846 V HN 1.786 nan 8.190 nan 0.000 0.453 3847 A N 6.773 129.645 122.820 0.087 0.000 2.347 3847 A HA 0.752 5.072 4.320 -0.000 0.000 0.287 3847 A C -0.064 177.578 177.584 0.098 0.000 1.199 3847 A CA 0.214 52.299 52.037 0.081 0.000 0.851 3847 A CB 0.692 19.727 19.000 0.058 0.000 1.118 3847 A HN 1.770 nan 8.150 nan 0.000 0.525 3848 V N 0.810 120.781 119.914 0.096 0.000 3.103 3848 V HA 0.853 4.973 4.120 -0.000 0.000 0.318 3848 V C -0.309 175.827 176.094 0.070 0.000 1.114 3848 V CA -0.863 61.493 62.300 0.094 0.000 1.020 3848 V CB 1.704 33.582 31.823 0.092 0.000 1.085 3848 V HN 0.533 nan 8.190 nan 0.000 0.446 3849 V N 1.819 121.769 119.914 0.059 0.000 2.378 3849 V HA 0.453 4.573 4.120 -0.000 0.000 0.288 3849 V C -2.495 173.625 176.094 0.043 0.000 1.016 3849 V CA -1.819 60.523 62.300 0.070 0.000 0.840 3849 V CB 1.299 33.186 31.823 0.107 0.000 0.994 3849 V HN 0.871 nan 8.190 nan 0.000 0.431 3850 P HA 0.094 nan 4.420 nan 0.000 0.264 3850 P C 1.120 178.450 177.300 0.050 0.000 1.193 3850 P CA 0.229 63.352 63.100 0.039 0.000 0.763 3850 P CB 0.765 32.491 31.700 0.044 0.000 0.810 3851 G N 2.321 111.107 108.800 -0.023 0.000 2.708 3851 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.210 3851 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.210 3851 G C 1.213 176.032 174.900 -0.136 0.000 1.141 3851 G CA 0.505 45.554 45.100 -0.085 0.000 0.788 3851 G HN 0.387 nan 8.290 nan 0.000 0.531 3852 T N 1.301 115.781 114.554 -0.124 0.000 2.624 3852 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 3852 T C 1.706 176.225 174.700 -0.301 0.000 1.041 3852 T CA 1.738 63.692 62.100 -0.244 0.000 1.159 3852 T CB -0.239 68.618 68.868 -0.017 0.000 0.863 3852 T HN 0.260 nan 8.240 nan 0.000 0.434 3853 D N -0.064 120.231 120.400 -0.174 0.000 2.349 3853 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 3853 D C 0.910 176.886 176.300 -0.539 0.000 1.029 3853 D CA 0.304 54.124 54.000 -0.301 0.000 0.879 3853 D CB -0.200 40.405 40.800 -0.325 0.000 0.906 3853 D HN 0.428 nan 8.370 nan 0.000 0.528 3854 F N -0.041 119.588 119.950 -0.536 0.000 2.695 3854 F HA 0.380 4.907 4.527 -0.000 0.000 0.303 3854 F C 1.388 176.584 175.800 -1.007 0.000 1.091 3854 F CA -0.024 57.518 58.000 -0.762 0.000 1.300 3854 F CB 0.240 38.948 39.000 -0.487 0.000 1.071 3854 F HN -0.118 nan 8.300 nan 0.000 0.578 3855 A N 0.655 123.048 122.820 -0.710 0.000 2.925 3855 A HA -0.046 4.274 4.320 -0.000 0.000 0.265 3855 A C 0.766 178.032 177.584 -0.529 0.000 1.419 3855 A CA 0.624 52.247 52.037 -0.690 0.000 0.807 3855 A CB -2.033 16.824 19.000 -0.239 0.000 1.043 3855 A HN 0.664 nan 8.150 nan 0.000 0.600 3856 A N -0.139 122.341 122.820 -0.567 0.000 3.232 3856 A HA 0.647 4.967 4.320 -0.000 0.000 0.312 3856 A C -0.005 177.477 177.584 -0.170 0.000 1.185 3856 A CA -0.482 51.383 52.037 -0.286 0.000 1.011 3856 A CB -0.476 18.328 19.000 -0.326 0.000 1.096 3856 A HN 0.850 nan 8.150 nan 0.000 0.543 3857 F N 0.434 120.453 119.950 0.114 0.000 2.572 3857 F HA 0.374 4.901 4.527 -0.000 0.000 0.370 3857 F C 1.639 177.544 175.800 0.174 0.000 1.103 3857 F CA 1.461 59.533 58.000 0.119 0.000 1.286 3857 F CB 0.601 39.651 39.000 0.083 0.000 1.105 3857 F HN 0.636 nan 8.300 nan 0.000 0.583 3858 G N 1.467 110.413 108.800 0.242 0.000 2.221 3858 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.265 3858 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.265 3858 G C -0.562 174.248 174.900 -0.150 0.000 1.041 3858 G CA -0.011 45.121 45.100 0.054 0.000 0.807 3858 G HN 0.924 nan 8.290 nan 0.000 0.502 3859 H N -2.666 116.413 119.070 0.014 0.000 3.017 3859 H HA 0.743 5.299 4.556 -0.000 0.000 0.346 3859 H C -0.937 174.350 175.328 -0.068 0.000 1.286 3859 H CA -0.439 55.592 56.048 -0.028 0.000 1.120 3859 H CB 2.529 32.264 29.762 -0.045 0.000 1.860 3859 H HN 0.416 nan 8.280 nan 0.000 0.542 3860 V N 1.366 121.314 119.914 0.056 0.000 2.851 3860 V HA 0.319 4.438 4.120 -0.000 0.000 0.307 3860 V C -0.834 175.236 176.094 -0.040 0.000 1.129 3860 V CA -0.733 61.557 62.300 -0.017 0.000 0.932 3860 V CB 2.029 33.840 31.823 -0.020 0.000 1.024 3860 V HN 0.689 nan 8.190 nan 0.000 0.426 3861 R N 5.827 126.262 120.500 -0.108 0.000 2.429 3861 R HA 0.418 4.758 4.340 -0.000 0.000 0.302 3861 R C -0.637 175.679 176.300 0.026 0.000 1.268 3861 R CA -0.276 55.756 56.100 -0.114 0.000 1.090 3861 R CB -0.056 30.044 30.300 -0.334 0.000 1.102 3861 R HN 0.636 nan 8.270 nan 0.000 0.522 3862 L N 1.659 122.942 121.223 0.100 0.000 2.452 3862 L HA 0.153 4.493 4.340 -0.000 0.000 0.267 3862 L C 0.589 177.559 176.870 0.167 0.000 1.188 3862 L CA -0.003 54.940 54.840 0.172 0.000 0.821 3862 L CB 1.410 43.616 42.059 0.245 0.000 1.102 3862 L HN 0.463 nan 8.230 nan 0.000 0.470 3863 S N 0.445 116.225 115.700 0.134 0.000 2.652 3863 S HA 0.275 4.745 4.470 -0.000 0.000 0.252 3863 S C 0.209 174.773 174.600 -0.060 0.000 1.219 3863 S CA -0.755 57.462 58.200 0.027 0.000 1.151 3863 S CB 0.228 63.499 63.200 0.118 0.000 1.080 3863 S HN 0.477 nan 8.310 nan 0.000 0.481 3864 Y N 2.294 122.618 120.300 0.040 0.000 2.584 3864 Y HA 0.387 4.937 4.550 -0.000 0.000 0.317 3864 Y C 1.503 177.359 175.900 -0.073 0.000 1.208 3864 Y CA 0.239 58.337 58.100 -0.003 0.000 1.299 3864 Y CB -0.770 37.709 38.460 0.032 0.000 1.047 3864 Y HN 0.628 nan 8.280 nan 0.000 0.506 3865 A N 0.557 123.144 122.820 -0.390 0.000 2.235 3865 A HA 0.058 4.378 4.320 -0.000 0.000 0.208 3865 A C 1.528 178.933 177.584 -0.298 0.000 1.172 3865 A CA 0.705 52.375 52.037 -0.612 0.000 0.786 3865 A CB -1.061 16.949 19.000 -1.651 0.000 0.804 3865 A HN 0.571 nan 8.150 nan 0.000 0.479 3866 T N -2.492 111.967 114.554 -0.157 0.000 2.902 3866 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 3866 T C 0.663 175.304 174.700 -0.099 0.000 1.048 3866 T CA 0.179 62.202 62.100 -0.127 0.000 0.941 3866 T CB 0.475 69.295 68.868 -0.080 0.000 1.432 3866 T HN 0.586 nan 8.240 nan 0.000 0.586 3867 S N -0.649 114.989 115.700 -0.104 0.000 2.593 3867 S HA 0.142 4.612 4.470 -0.000 0.000 0.269 3867 S C 1.151 175.723 174.600 -0.048 0.000 1.334 3867 S CA 0.005 58.149 58.200 -0.093 0.000 1.015 3867 S CB 0.731 63.874 63.200 -0.094 0.000 0.912 3867 S HN 0.915 nan 8.310 nan 0.000 0.541 3868 E N 1.232 121.408 120.200 -0.040 0.000 2.110 3868 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 3868 E C 1.693 178.272 176.600 -0.035 0.000 0.988 3868 E CA 1.985 58.369 56.400 -0.026 0.000 0.804 3868 E CB -0.271 29.414 29.700 -0.025 0.000 0.745 3868 E HN 0.864 nan 8.360 nan 0.000 0.458 3869 E N -0.384 119.790 120.200 -0.042 0.000 2.268 3869 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 3869 E C 1.572 178.140 176.600 -0.052 0.000 0.995 3869 E CA 1.066 57.440 56.400 -0.044 0.000 0.836 3869 E CB -0.155 29.521 29.700 -0.041 0.000 0.763 3869 E HN 0.459 nan 8.360 nan 0.000 0.491 3870 N N 0.336 119.003 118.700 -0.055 0.000 2.395 3870 N HA 0.013 4.753 4.740 -0.000 0.000 0.175 3870 N C 1.687 177.146 175.510 -0.085 0.000 1.029 3870 N CA 0.220 53.231 53.050 -0.065 0.000 0.897 3870 N CB 0.151 38.604 38.487 -0.057 0.000 0.991 3870 N HN 0.037 nan 8.380 nan 0.000 0.441 3871 L N 0.825 122.009 121.223 -0.066 0.000 2.217 3871 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 3871 L C 2.198 179.004 176.870 -0.106 0.000 1.107 3871 L CA 0.891 55.685 54.840 -0.077 0.000 0.783 3871 L CB -0.122 41.922 42.059 -0.026 0.000 0.919 3871 L HN 0.142 nan 8.230 nan 0.000 0.442 3872 R N -0.273 120.178 120.500 -0.082 0.000 2.093 3872 R HA -0.110 4.230 4.340 -0.000 0.000 0.224 3872 R C 2.235 178.479 176.300 -0.093 0.000 1.101 3872 R CA 0.871 56.926 56.100 -0.075 0.000 0.979 3872 R CB -0.115 30.154 30.300 -0.052 0.000 0.877 3872 R HN 0.225 nan 8.270 nan 0.000 0.441 3873 K N 0.817 121.158 120.400 -0.098 0.000 2.021 3873 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 3873 K C 2.130 178.632 176.600 -0.162 0.000 1.047 3873 K CA 1.023 57.251 56.287 -0.098 0.000 0.943 3873 K CB -0.047 32.409 32.500 -0.074 0.000 0.725 3873 K HN 0.112 nan 8.250 nan 0.000 0.439 3874 A N 1.768 124.450 122.820 -0.230 0.000 1.940 3874 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 3874 A C 2.019 179.150 177.584 -0.755 0.000 1.176 3874 A CA 1.098 52.875 52.037 -0.434 0.000 0.631 3874 A CB -0.543 18.200 19.000 -0.429 0.000 0.814 3874 A HN 0.358 nan 8.150 nan 0.000 0.446 3875 L N -0.508 120.416 121.223 -0.499 0.000 2.217 3875 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 3875 L C 2.277 179.057 176.870 -0.149 0.000 1.107 3875 L CA 2.079 56.702 54.840 -0.362 0.000 0.783 3875 L CB -0.658 41.304 42.059 -0.161 0.000 0.919 3875 L HN 0.690 nan 8.230 nan 0.000 0.442 3876 E N -0.159 119.965 120.200 -0.128 0.000 2.072 3876 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 3876 E C 2.140 178.735 176.600 -0.009 0.000 0.982 3876 E CA 0.590 56.962 56.400 -0.046 0.000 0.803 3876 E CB 0.155 29.828 29.700 -0.045 0.000 0.755 3876 E HN 0.409 nan 8.360 nan 0.000 0.453 3877 R N -0.334 120.145 120.500 -0.035 0.000 2.115 3877 R HA -0.042 4.298 4.340 -0.000 0.000 0.226 3877 R C 2.361 178.774 176.300 0.188 0.000 1.100 3877 R CA 0.953 57.081 56.100 0.046 0.000 0.980 3877 R CB -0.320 29.995 30.300 0.025 0.000 0.875 3877 R HN 0.296 nan 8.270 nan 0.000 0.445 3878 F N 1.335 121.294 119.950 0.014 0.000 2.075 3878 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 3878 F C 2.846 178.653 175.800 0.012 0.000 1.113 3878 F CA 0.391 58.400 58.000 0.015 0.000 1.218 3878 F CB -0.368 38.643 39.000 0.018 0.000 0.984 3878 F HN 0.111 nan 8.300 nan 0.000 0.472 3879 A N 0.804 123.761 122.820 0.228 0.000 1.915 3879 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 3879 A C 2.105 179.739 177.584 0.085 0.000 1.198 3879 A CA 2.260 54.370 52.037 0.122 0.000 0.647 3879 A CB -0.907 18.139 19.000 0.077 0.000 0.825 3879 A HN 0.380 nan 8.150 nan 0.000 0.456 3880 R N -1.433 119.114 120.500 0.079 0.000 2.090 3880 R HA -0.000 4.340 4.340 -0.000 0.000 0.228 3880 R C 2.075 178.408 176.300 0.054 0.000 1.110 3880 R CA 1.062 57.195 56.100 0.056 0.000 0.973 3880 R CB -0.731 29.597 30.300 0.046 0.000 0.869 3880 R HN 0.369 nan 8.270 nan 0.000 0.440 3881 V N 2.042 122.000 119.914 0.072 0.000 2.324 3881 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 3881 V C 1.417 177.530 176.094 0.032 0.000 1.060 3881 V CA 1.512 63.844 62.300 0.053 0.000 1.042 3881 V CB -0.174 31.687 31.823 0.063 0.000 0.650 3881 V HN 0.126 nan 8.190 nan 0.000 0.450 3882 L N 0.000 121.245 121.223 0.036 0.000 2.949 3882 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 3882 L CA 0.000 54.853 54.840 0.021 0.000 0.813 3882 L CB 0.000 42.074 42.059 0.024 0.000 0.961 3882 L HN 0.000 nan 8.230 nan 0.000 0.502