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 3n3v_1_B DATA FIRST_RESID 3488 DATA SEQUENCE VNYQDLEDNL NLKGLISLED DRNANFESNV LKNEKFLDEA REISKKSIPE DATA SEQUENCE ATVKQMSHLP EFDDILTEGA KKVESRINKA ITFRPSVEEF SEIQDLVKTL DATA SEQUENCE PKTKVIEDLS TKTNEITEAL AATSKTIQRT PELKEQLKTA IEDFLQNSQG DATA SEQUENCE KPLTVQMIEN LNHGLRPDEG EGRLLYKKEN LTKENAVFSS PEAAKIQLAE DATA SEQUENCE TVDFINRAKN EGIEPSVVGA LVYQRLIAYA PFAEGNGRMA RVIVNKILLD DATA SEQUENCE AGYPAFTKFS DEFEPQIIPQ TKASTKSATS SEVVVEFLKE LAKKGS 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 3488 V HA 0.000 nan 4.120 nan 0.000 0.244 3488 V C 0.000 175.803 176.094 -0.484 0.000 1.182 3488 V CA 0.000 62.079 62.300 -0.368 0.000 1.235 3488 V CB 0.000 31.564 31.823 -0.431 0.000 1.184 3489 N N 2.413 120.867 118.700 -0.410 0.000 2.426 3489 N HA 0.608 5.352 4.740 0.007 0.000 0.275 3489 N C -0.087 175.166 175.510 -0.428 0.000 1.019 3489 N CA -0.546 52.324 53.050 -0.301 0.000 0.941 3489 N CB 1.181 39.583 38.487 -0.141 0.000 1.123 3489 N HN 0.617 nan 8.380 nan 0.000 0.486 3490 Y N 1.064 121.292 120.300 -0.121 0.000 2.458 3490 Y HA 0.199 4.753 4.550 0.007 0.000 0.256 3490 Y C 1.965 177.752 175.900 -0.188 0.000 1.159 3490 Y CA -0.352 57.603 58.100 -0.242 0.000 1.261 3490 Y CB 0.161 38.478 38.460 -0.239 0.000 1.119 3490 Y HN 0.580 nan 8.280 nan 0.000 0.524 3491 Q N 0.904 120.713 119.800 0.015 0.000 2.118 3491 Q HA -0.238 4.107 4.340 0.007 0.000 0.211 3491 Q C 0.313 176.310 176.000 -0.005 0.000 0.998 3491 Q CA 1.901 57.714 55.803 0.018 0.000 0.872 3491 Q CB -0.139 28.601 28.738 0.004 0.000 0.925 3491 Q HN 0.555 nan 8.270 nan 0.000 0.414 3492 D N -0.231 120.142 120.400 -0.045 0.000 2.463 3492 D HA 0.180 4.824 4.640 0.007 0.000 0.224 3492 D C -0.136 176.132 176.300 -0.053 0.000 1.174 3492 D CA -0.011 53.967 54.000 -0.036 0.000 0.829 3492 D CB 0.361 41.140 40.800 -0.035 0.000 0.993 3492 D HN 0.179 nan 8.370 nan 0.000 0.497 3493 L N 0.992 122.153 121.223 -0.103 0.000 2.350 3493 L HA 0.247 4.592 4.340 0.007 0.000 0.275 3493 L C 0.774 177.661 176.870 0.028 0.000 1.099 3493 L CA -0.755 54.008 54.840 -0.130 0.000 0.808 3493 L CB 0.977 42.742 42.059 -0.490 0.000 1.149 3493 L HN -0.207 nan 8.230 nan 0.000 0.442 3494 E N 2.127 122.384 120.200 0.094 0.000 2.415 3494 E HA 0.053 4.408 4.350 0.007 0.000 0.263 3494 E C -1.113 175.659 176.600 0.287 0.000 0.995 3494 E CA 0.498 56.989 56.400 0.151 0.000 0.915 3494 E CB 0.459 30.232 29.700 0.122 0.000 0.951 3494 E HN 0.484 nan 8.360 nan 0.000 0.449 3495 D N 3.167 123.706 120.400 0.231 0.000 2.738 3495 D HA 0.135 4.779 4.640 0.007 0.000 0.218 3495 D C -1.036 175.341 176.300 0.128 0.000 1.345 3495 D CA -0.555 53.594 54.000 0.248 0.000 0.943 3495 D CB 0.378 41.411 40.800 0.389 0.000 1.514 3495 D HN 0.440 nan 8.370 nan 0.000 0.585 3496 N N 3.871 122.619 118.700 0.080 0.000 2.235 3496 N HA 0.101 4.845 4.740 0.007 0.000 0.231 3496 N C 0.149 175.675 175.510 0.026 0.000 1.177 3496 N CA -0.131 52.950 53.050 0.051 0.000 0.874 3496 N CB 0.023 38.538 38.487 0.046 0.000 1.097 3496 N HN 0.463 nan 8.380 nan 0.000 0.518 3497 L N -0.970 120.257 121.223 0.006 0.000 2.766 3497 L HA 0.278 4.623 4.340 0.007 0.000 0.242 3497 L C 0.242 177.095 176.870 -0.028 0.000 1.136 3497 L CA -0.267 54.557 54.840 -0.026 0.000 0.933 3497 L CB -0.246 41.766 42.059 -0.078 0.000 1.241 3497 L HN -0.023 nan 8.230 nan 0.000 0.522 3498 N N 0.682 119.385 118.700 0.006 0.000 2.735 3498 N HA -0.225 4.519 4.740 0.007 0.000 0.248 3498 N C 0.739 176.252 175.510 0.005 0.000 1.083 3498 N CA 0.331 53.393 53.050 0.021 0.000 0.703 3498 N CB -0.898 37.594 38.487 0.009 0.000 1.005 3498 N HN 0.130 nan 8.380 nan 0.000 0.550 3499 L N 0.311 121.515 121.223 -0.031 0.000 2.127 3499 L HA -0.097 4.247 4.340 0.007 0.000 0.211 3499 L C 2.114 179.031 176.870 0.078 0.000 1.089 3499 L CA 1.761 56.560 54.840 -0.068 0.000 0.757 3499 L CB -0.239 41.562 42.059 -0.431 0.000 0.899 3499 L HN 0.310 nan 8.230 nan 0.000 0.434 3500 K N -1.375 119.120 120.400 0.158 0.000 2.097 3500 K HA -0.049 4.276 4.320 0.007 0.000 0.205 3500 K C 2.100 178.756 176.600 0.094 0.000 1.050 3500 K CA 1.083 57.459 56.287 0.148 0.000 0.938 3500 K CB -0.561 32.046 32.500 0.179 0.000 0.718 3500 K HN 0.419 nan 8.250 nan 0.000 0.442 3501 G N 1.763 110.611 108.800 0.079 0.000 2.402 3501 G HA2 -0.233 3.731 3.960 0.007 0.000 0.216 3501 G HA3 -0.233 3.731 3.960 0.007 0.000 0.216 3501 G C 1.455 176.401 174.900 0.078 0.000 1.162 3501 G CA 0.458 45.598 45.100 0.066 0.000 0.777 3501 G HN 0.147 nan 8.290 nan 0.000 0.539 3502 L N 1.002 122.270 121.223 0.075 0.000 1.989 3502 L HA 0.006 4.350 4.340 0.007 0.000 0.211 3502 L C 2.672 179.639 176.870 0.162 0.000 1.071 3502 L CA 1.527 56.437 54.840 0.116 0.000 0.749 3502 L CB -0.585 41.503 42.059 0.048 0.000 0.890 3502 L HN 0.275 nan 8.230 nan 0.000 0.431 3503 I N -0.963 119.696 120.570 0.148 0.000 2.264 3503 I HA -0.317 3.857 4.170 0.007 0.000 0.248 3503 I C 2.697 178.869 176.117 0.092 0.000 1.111 3503 I CA 1.486 62.854 61.300 0.113 0.000 1.382 3503 I CB -0.593 37.356 38.000 -0.085 0.000 1.060 3503 I HN 0.424 nan 8.210 nan 0.000 0.418 3504 S N 1.052 116.805 115.700 0.088 0.000 2.353 3504 S HA -0.191 4.283 4.470 0.007 0.000 0.222 3504 S C 2.041 176.695 174.600 0.091 0.000 1.035 3504 S CA 1.336 59.587 58.200 0.086 0.000 1.025 3504 S CB -0.253 62.995 63.200 0.079 0.000 0.902 3504 S HN 0.211 nan 8.310 nan 0.000 0.440 3505 L N 2.258 123.547 121.223 0.111 0.000 1.997 3505 L HA -0.101 4.244 4.340 0.007 0.000 0.216 3505 L C 2.700 179.635 176.870 0.107 0.000 1.074 3505 L CA 1.946 56.866 54.840 0.133 0.000 0.763 3505 L CB -1.137 41.052 42.059 0.216 0.000 0.890 3505 L HN 0.346 nan 8.230 nan 0.000 0.434 3506 E N -0.554 119.705 120.200 0.098 0.000 2.110 3506 E HA -0.200 4.155 4.350 0.007 0.000 0.193 3506 E C 1.873 178.499 176.600 0.043 0.000 0.988 3506 E CA 1.186 57.615 56.400 0.047 0.000 0.804 3506 E CB -0.253 29.492 29.700 0.075 0.000 0.745 3506 E HN 0.525 nan 8.360 nan 0.000 0.458 3507 D N 1.016 121.452 120.400 0.060 0.000 2.123 3507 D HA -0.142 4.503 4.640 0.007 0.000 0.196 3507 D C 1.503 177.834 176.300 0.052 0.000 0.992 3507 D CA 0.954 54.987 54.000 0.055 0.000 0.833 3507 D CB -0.186 40.654 40.800 0.066 0.000 0.954 3507 D HN 0.157 nan 8.370 nan 0.000 0.455 3508 D N 0.021 120.455 120.400 0.057 0.000 2.103 3508 D HA -0.093 4.551 4.640 0.007 0.000 0.199 3508 D C 2.064 178.398 176.300 0.056 0.000 0.978 3508 D CA 0.440 54.473 54.000 0.055 0.000 0.829 3508 D CB -0.127 40.707 40.800 0.057 0.000 0.981 3508 D HN 0.174 nan 8.370 nan 0.000 0.464 3509 R N 0.851 121.384 120.500 0.056 0.000 2.083 3509 R HA -0.169 4.176 4.340 0.007 0.000 0.237 3509 R C 1.937 178.285 176.300 0.080 0.000 1.137 3509 R CA 1.420 57.556 56.100 0.059 0.000 0.951 3509 R CB -0.121 30.200 30.300 0.034 0.000 0.851 3509 R HN 0.002 nan 8.270 nan 0.000 0.434 3510 N N 0.301 119.031 118.700 0.051 0.000 2.166 3510 N HA -0.108 4.636 4.740 0.007 0.000 0.186 3510 N C 1.483 177.052 175.510 0.098 0.000 1.019 3510 N CA 1.714 54.793 53.050 0.048 0.000 0.856 3510 N CB -0.186 38.297 38.487 -0.006 0.000 0.993 3510 N HN 0.348 nan 8.380 nan 0.000 0.426 3511 A N -0.042 122.822 122.820 0.073 0.000 2.015 3511 A HA -0.036 4.288 4.320 0.007 0.000 0.219 3511 A C 1.686 179.315 177.584 0.074 0.000 1.163 3511 A CA 1.202 53.280 52.037 0.068 0.000 0.646 3511 A CB -0.300 18.730 19.000 0.050 0.000 0.806 3511 A HN 0.356 nan 8.150 nan 0.000 0.448 3512 N N -1.573 117.174 118.700 0.080 0.000 2.280 3512 N HA 0.053 4.798 4.740 0.007 0.000 0.192 3512 N C 1.026 176.571 175.510 0.058 0.000 1.109 3512 N CA 0.147 53.228 53.050 0.053 0.000 0.855 3512 N CB -0.188 38.320 38.487 0.035 0.000 0.974 3512 N HN 0.517 nan 8.380 nan 0.000 0.482 3513 F N 2.693 122.620 119.950 -0.037 0.000 2.069 3513 F HA -0.201 4.329 4.527 0.004 0.000 0.298 3513 F C 2.393 178.151 175.800 -0.071 0.000 1.113 3513 F CA 1.713 59.677 58.000 -0.060 0.000 1.214 3513 F CB -0.148 38.821 39.000 -0.052 0.000 0.978 3513 F HN 0.057 nan 8.300 nan 0.000 0.474 3514 E N -0.582 119.542 120.200 -0.127 0.000 2.085 3514 E HA -0.273 4.082 4.350 0.007 0.000 0.194 3514 E C 2.373 178.832 176.600 -0.235 0.000 0.994 3514 E CA 1.549 57.812 56.400 -0.229 0.000 0.801 3514 E CB -0.456 29.227 29.700 -0.029 0.000 0.743 3514 E HN 0.455 nan 8.360 nan 0.000 0.453 3515 S N 0.160 115.776 115.700 -0.140 0.000 2.345 3515 S HA -0.126 4.349 4.470 0.007 0.000 0.220 3515 S C 1.769 176.279 174.600 -0.151 0.000 1.031 3515 S CA 1.420 59.554 58.200 -0.110 0.000 0.996 3515 S CB -0.282 62.883 63.200 -0.057 0.000 0.882 3515 S HN 0.316 nan 8.310 nan 0.000 0.445 3516 N N 0.432 119.025 118.700 -0.177 0.000 2.270 3516 N HA 0.029 4.773 4.740 0.007 0.000 0.181 3516 N C 1.580 176.924 175.510 -0.277 0.000 1.016 3516 N CA 1.228 54.172 53.050 -0.178 0.000 0.870 3516 N CB -0.176 38.235 38.487 -0.125 0.000 0.979 3516 N HN 0.350 nan 8.380 nan 0.000 0.431 3517 V N 0.347 119.970 119.914 -0.486 0.000 2.840 3517 V HA 0.126 4.250 4.120 0.007 0.000 0.234 3517 V C 2.175 177.877 176.094 -0.654 0.000 1.159 3517 V CA 0.233 62.130 62.300 -0.670 0.000 1.194 3517 V CB -0.215 31.009 31.823 -0.999 0.000 0.971 3517 V HN 0.046 nan 8.190 nan 0.000 0.494 3518 L N -0.018 120.814 121.223 -0.652 0.000 2.141 3518 L HA -0.094 4.251 4.340 0.007 0.000 0.209 3518 L C 2.070 178.917 176.870 -0.038 0.000 1.094 3518 L CA 1.624 56.281 54.840 -0.304 0.000 0.763 3518 L CB -0.435 41.468 42.059 -0.259 0.000 0.908 3518 L HN 0.304 nan 8.230 nan 0.000 0.437 3519 K N -0.640 119.703 120.400 -0.095 0.000 2.358 3519 K HA 0.063 4.388 4.320 0.007 0.000 0.197 3519 K C 0.549 177.141 176.600 -0.013 0.000 1.025 3519 K CA -0.280 55.989 56.287 -0.030 0.000 1.104 3519 K CB 0.164 32.635 32.500 -0.048 0.000 0.855 3519 K HN 0.148 nan 8.250 nan 0.000 0.531 3520 N N 1.994 120.684 118.700 -0.017 0.000 2.452 3520 N HA -0.083 4.661 4.740 0.007 0.000 0.266 3520 N C 0.494 176.038 175.510 0.056 0.000 1.209 3520 N CA 0.446 53.495 53.050 -0.001 0.000 0.929 3520 N CB 1.209 39.673 38.487 -0.038 0.000 1.063 3520 N HN 0.042 nan 8.380 nan 0.000 0.472 3521 E N 3.977 124.182 120.200 0.010 0.000 2.110 3521 E HA -0.141 4.213 4.350 0.007 0.000 0.193 3521 E C 1.248 177.840 176.600 -0.014 0.000 0.988 3521 E CA 1.550 57.945 56.400 -0.008 0.000 0.804 3521 E CB 0.233 29.919 29.700 -0.023 0.000 0.745 3521 E HN 0.616 nan 8.360 nan 0.000 0.458 3522 K N -0.582 119.818 120.400 -0.000 0.000 2.032 3522 K HA -0.170 4.154 4.320 0.007 0.000 0.209 3522 K C 2.093 178.698 176.600 0.009 0.000 1.048 3522 K CA 1.434 57.715 56.287 -0.009 0.000 0.927 3522 K CB -0.409 32.085 32.500 -0.011 0.000 0.712 3522 K HN 0.169 nan 8.250 nan 0.000 0.441 3523 F N 2.119 122.015 119.950 -0.091 0.000 2.134 3523 F HA -0.154 4.376 4.527 0.004 0.000 0.299 3523 F C 1.772 177.523 175.800 -0.081 0.000 1.097 3523 F CA 1.280 59.226 58.000 -0.090 0.000 1.264 3523 F CB -0.258 38.677 39.000 -0.107 0.000 1.001 3523 F HN -0.111 nan 8.300 nan 0.000 0.479 3524 L N -0.041 121.053 121.223 -0.214 0.000 2.046 3524 L HA -0.223 4.122 4.340 0.007 0.000 0.208 3524 L C 2.219 178.919 176.870 -0.284 0.000 1.077 3524 L CA 1.569 56.222 54.840 -0.311 0.000 0.747 3524 L CB -0.906 41.081 42.059 -0.119 0.000 0.896 3524 L HN 0.075 nan 8.230 nan 0.000 0.432 3525 D N -0.195 120.095 120.400 -0.183 0.000 2.123 3525 D HA -0.228 4.416 4.640 0.007 0.000 0.196 3525 D C 2.038 178.232 176.300 -0.176 0.000 0.992 3525 D CA 1.127 55.036 54.000 -0.152 0.000 0.833 3525 D CB -0.006 40.734 40.800 -0.099 0.000 0.954 3525 D HN 0.342 nan 8.370 nan 0.000 0.455 3526 E N 0.273 120.351 120.200 -0.202 0.000 2.038 3526 E HA -0.212 4.142 4.350 0.007 0.000 0.195 3526 E C 1.984 178.441 176.600 -0.238 0.000 1.000 3526 E CA 1.219 57.505 56.400 -0.190 0.000 0.803 3526 E CB -0.034 29.564 29.700 -0.170 0.000 0.750 3526 E HN 0.182 nan 8.360 nan 0.000 0.448 3527 A N 1.343 123.929 122.820 -0.390 0.000 1.908 3527 A HA -0.210 4.114 4.320 0.007 0.000 0.218 3527 A C 2.167 179.606 177.584 -0.241 0.000 1.181 3527 A CA 1.663 53.490 52.037 -0.351 0.000 0.627 3527 A CB -0.543 18.155 19.000 -0.504 0.000 0.818 3527 A HN 0.220 nan 8.150 nan 0.000 0.445 3528 R N -0.706 119.648 120.500 -0.243 0.000 2.091 3528 R HA -0.178 4.166 4.340 0.007 0.000 0.238 3528 R C 2.340 178.546 176.300 -0.156 0.000 1.136 3528 R CA 1.657 57.629 56.100 -0.213 0.000 0.959 3528 R CB -0.345 29.831 30.300 -0.206 0.000 0.856 3528 R HN 0.798 nan 8.270 nan 0.000 0.437 3529 E N 1.000 121.123 120.200 -0.129 0.000 2.047 3529 E HA -0.154 4.201 4.350 0.007 0.000 0.191 3529 E C 2.021 178.579 176.600 -0.069 0.000 0.987 3529 E CA 0.895 57.243 56.400 -0.085 0.000 0.799 3529 E CB 0.013 29.669 29.700 -0.073 0.000 0.752 3529 E HN 0.258 nan 8.360 nan 0.000 0.449 3530 I N 0.818 121.340 120.570 -0.081 0.000 2.151 3530 I HA -0.313 3.861 4.170 0.007 0.000 0.243 3530 I C 2.502 178.591 176.117 -0.048 0.000 1.080 3530 I CA 1.267 62.532 61.300 -0.058 0.000 1.339 3530 I CB -0.297 37.664 38.000 -0.066 0.000 1.039 3530 I HN 0.107 nan 8.210 nan 0.000 0.409 3531 S N 0.367 116.026 115.700 -0.069 0.000 2.368 3531 S HA -0.173 4.302 4.470 0.007 0.000 0.225 3531 S C 1.905 176.495 174.600 -0.017 0.000 1.030 3531 S CA 1.213 59.383 58.200 -0.050 0.000 0.999 3531 S CB -0.206 62.941 63.200 -0.087 0.000 0.844 3531 S HN 0.372 nan 8.310 nan 0.000 0.459 3532 K N 1.117 121.502 120.400 -0.025 0.000 2.283 3532 K HA 0.004 4.328 4.320 0.007 0.000 0.202 3532 K C 1.981 178.594 176.600 0.022 0.000 1.048 3532 K CA 0.679 56.978 56.287 0.020 0.000 0.948 3532 K CB -0.043 32.464 32.500 0.012 0.000 0.742 3532 K HN 0.281 nan 8.250 nan 0.000 0.458 3533 K N 0.132 120.534 120.400 0.004 0.000 2.103 3533 K HA -0.097 4.227 4.320 0.007 0.000 0.207 3533 K C 1.781 178.390 176.600 0.015 0.000 1.048 3533 K CA 1.380 57.671 56.287 0.007 0.000 0.930 3533 K CB -0.018 32.482 32.500 0.000 0.000 0.716 3533 K HN -0.041 nan 8.250 nan 0.000 0.444 3534 S N 0.369 116.080 115.700 0.018 0.000 2.575 3534 S HA 0.172 4.646 4.470 0.007 0.000 0.215 3534 S C 0.561 175.178 174.600 0.028 0.000 0.966 3534 S CA -0.056 58.156 58.200 0.021 0.000 0.911 3534 S CB 0.156 63.368 63.200 0.019 0.000 0.780 3534 S HN 0.133 nan 8.310 nan 0.000 0.514 3535 I N 3.116 123.711 120.570 0.040 0.000 2.342 3535 I HA 0.280 4.455 4.170 0.007 0.000 0.291 3535 I C -2.499 173.641 176.117 0.037 0.000 1.010 3535 I CA -2.590 58.740 61.300 0.050 0.000 1.308 3535 I CB 0.811 38.867 38.000 0.094 0.000 1.400 3535 I HN -0.143 nan 8.210 nan 0.000 0.488 3536 P HA -0.036 nan 4.420 nan 0.000 0.264 3536 P C 0.599 177.908 177.300 0.016 0.000 1.183 3536 P CA -0.071 63.039 63.100 0.015 0.000 0.763 3536 P CB 0.475 32.179 31.700 0.007 0.000 0.807 3537 E N 2.795 123.004 120.200 0.015 0.000 2.118 3537 E HA -0.241 4.113 4.350 0.007 0.000 0.195 3537 E C 1.549 178.153 176.600 0.006 0.000 0.992 3537 E CA 1.397 57.807 56.400 0.016 0.000 0.804 3537 E CB -0.651 29.057 29.700 0.014 0.000 0.741 3537 E HN 0.408 nan 8.360 nan 0.000 0.458 3538 A N 1.082 123.902 122.820 0.000 0.000 1.969 3538 A HA -0.106 4.219 4.320 0.007 0.000 0.218 3538 A C 2.359 179.930 177.584 -0.022 0.000 1.169 3538 A CA 1.756 53.789 52.037 -0.006 0.000 0.635 3538 A CB -0.806 18.190 19.000 -0.006 0.000 0.810 3538 A HN 0.331 nan 8.150 nan 0.000 0.445 3539 T N -0.425 114.113 114.554 -0.028 0.000 2.857 3539 T HA -0.075 4.280 4.350 0.007 0.000 0.266 3539 T C 1.884 176.513 174.700 -0.118 0.000 1.048 3539 T CA 1.387 63.452 62.100 -0.059 0.000 1.139 3539 T CB -0.317 68.528 68.868 -0.038 0.000 0.874 3539 T HN 0.159 nan 8.240 nan 0.000 0.455 3540 V N 1.937 121.813 119.914 -0.063 0.000 2.332 3540 V HA -0.187 3.937 4.120 0.007 0.000 0.248 3540 V C 2.598 178.616 176.094 -0.126 0.000 1.055 3540 V CA 1.433 63.694 62.300 -0.065 0.000 1.038 3540 V CB -0.457 31.416 31.823 0.083 0.000 0.651 3540 V HN 0.369 nan 8.190 nan 0.000 0.450 3541 K N 0.072 120.440 120.400 -0.053 0.000 2.063 3541 K HA -0.208 4.117 4.320 0.007 0.000 0.208 3541 K C 2.167 178.774 176.600 0.013 0.000 1.048 3541 K CA 1.621 57.895 56.287 -0.022 0.000 0.928 3541 K CB -0.505 32.007 32.500 0.020 0.000 0.713 3541 K HN 0.595 nan 8.250 nan 0.000 0.442 3542 Q N -0.132 119.659 119.800 -0.015 0.000 2.020 3542 Q HA -0.022 4.323 4.340 0.007 0.000 0.202 3542 Q C 2.138 178.099 176.000 -0.064 0.000 0.982 3542 Q CA 1.144 56.959 55.803 0.020 0.000 0.838 3542 Q CB -0.104 28.602 28.738 -0.052 0.000 0.899 3542 Q HN 0.190 nan 8.270 nan 0.000 0.423 3543 M N 0.720 120.111 119.600 -0.347 0.000 2.279 3543 M HA -0.108 4.376 4.480 0.007 0.000 0.264 3543 M C 2.306 178.246 176.300 -0.601 0.000 1.062 3543 M CA 1.385 56.278 55.300 -0.678 0.000 1.099 3543 M CB -1.041 30.671 32.600 -1.480 0.000 1.394 3543 M HN 0.224 nan 8.290 nan 0.000 0.426 3544 S N -0.821 114.630 115.700 -0.416 0.000 2.500 3544 S HA -0.139 4.336 4.470 0.007 0.000 0.239 3544 S C 1.519 175.993 174.600 -0.210 0.000 0.989 3544 S CA 0.831 58.935 58.200 -0.160 0.000 0.951 3544 S CB -0.792 62.310 63.200 -0.163 0.000 0.759 3544 S HN 0.526 nan 8.310 nan 0.000 0.523 3545 H N 0.424 119.455 119.070 -0.066 0.000 2.563 3545 H HA 0.390 4.950 4.556 0.006 0.000 0.264 3545 H C 0.279 175.595 175.328 -0.019 0.000 0.957 3545 H CA 0.115 56.144 56.048 -0.032 0.000 1.173 3545 H CB 0.205 29.940 29.762 -0.044 0.000 1.420 3545 H HN 0.403 nan 8.280 nan 0.000 0.551 3546 L N 1.754 123.015 121.223 0.064 0.000 2.307 3546 L HA 0.205 4.549 4.340 0.007 0.000 0.282 3546 L C -1.341 175.580 176.870 0.086 0.000 1.051 3546 L CA -1.895 52.979 54.840 0.057 0.000 0.804 3546 L CB 1.492 43.563 42.059 0.021 0.000 1.197 3546 L HN -0.140 nan 8.230 nan 0.000 0.431 3547 P HA -0.061 nan 4.420 nan 0.000 0.226 3547 P C 0.650 177.997 177.300 0.078 0.000 1.153 3547 P CA 0.906 64.046 63.100 0.066 0.000 0.777 3547 P CB 0.328 32.054 31.700 0.044 0.000 0.794 3548 E N -2.282 117.976 120.200 0.096 0.000 2.474 3548 E HA 0.001 4.355 4.350 0.007 0.000 0.194 3548 E C 1.216 177.910 176.600 0.156 0.000 1.041 3548 E CA -0.199 56.259 56.400 0.096 0.000 0.874 3548 E CB -0.352 29.395 29.700 0.077 0.000 0.914 3548 E HN 0.134 nan 8.360 nan 0.000 0.498 3549 F N 2.705 122.651 119.950 -0.007 0.000 2.095 3549 F HA -0.236 4.293 4.527 0.003 0.000 0.298 3549 F C 1.823 177.611 175.800 -0.020 0.000 1.104 3549 F CA 1.851 59.844 58.000 -0.013 0.000 1.232 3549 F CB -0.397 38.593 39.000 -0.017 0.000 0.987 3549 F HN -0.025 nan 8.300 nan 0.000 0.475 3550 D N -0.089 120.252 120.400 -0.098 0.000 2.104 3550 D HA -0.191 4.453 4.640 0.007 0.000 0.194 3550 D C 1.820 178.024 176.300 -0.161 0.000 0.994 3550 D CA 1.725 55.592 54.000 -0.222 0.000 0.830 3550 D CB -0.265 40.463 40.800 -0.120 0.000 0.959 3550 D HN 0.209 nan 8.370 nan 0.000 0.452 3551 D N -0.481 119.881 120.400 -0.064 0.000 2.144 3551 D HA -0.097 4.547 4.640 0.007 0.000 0.199 3551 D C 2.154 178.432 176.300 -0.036 0.000 0.984 3551 D CA 0.507 54.485 54.000 -0.037 0.000 0.834 3551 D CB -0.211 40.589 40.800 -0.001 0.000 0.955 3551 D HN 0.359 nan 8.370 nan 0.000 0.465 3552 I N 0.070 120.632 120.570 -0.012 0.000 2.286 3552 I HA -0.244 3.931 4.170 0.007 0.000 0.248 3552 I C 1.956 178.040 176.117 -0.055 0.000 1.115 3552 I CA 0.435 61.742 61.300 0.013 0.000 1.392 3552 I CB -0.035 38.037 38.000 0.120 0.000 1.065 3552 I HN 0.034 nan 8.210 nan 0.000 0.418 3553 L N 0.428 121.544 121.223 -0.178 0.000 2.093 3553 L HA -0.155 4.189 4.340 0.007 0.000 0.208 3553 L C 2.615 179.383 176.870 -0.170 0.000 1.085 3553 L CA 2.345 57.042 54.840 -0.237 0.000 0.755 3553 L CB -1.137 40.665 42.059 -0.429 0.000 0.904 3553 L HN 0.417 nan 8.230 nan 0.000 0.435 3554 T N -5.513 108.953 114.554 -0.147 0.000 3.040 3554 T HA 0.025 4.380 4.350 0.007 0.000 0.250 3554 T C 1.581 176.250 174.700 -0.051 0.000 1.058 3554 T CA 0.321 62.342 62.100 -0.131 0.000 0.988 3554 T CB 0.115 68.903 68.868 -0.133 0.000 0.993 3554 T HN 0.279 nan 8.240 nan 0.000 0.519 3555 E N 1.735 121.918 120.200 -0.029 0.000 2.038 3555 E HA -0.080 4.275 4.350 0.007 0.000 0.195 3555 E C 2.366 178.983 176.600 0.028 0.000 1.000 3555 E CA 1.603 58.008 56.400 0.009 0.000 0.803 3555 E CB -0.856 28.849 29.700 0.010 0.000 0.750 3555 E HN 0.570 nan 8.360 nan 0.000 0.448 3556 G N 0.515 109.325 108.800 0.016 0.000 2.421 3556 G HA2 -0.281 3.683 3.960 0.007 0.000 0.216 3556 G HA3 -0.281 3.683 3.960 0.007 0.000 0.216 3556 G C 1.681 176.614 174.900 0.057 0.000 1.171 3556 G CA 1.106 46.224 45.100 0.030 0.000 0.775 3556 G HN 0.445 nan 8.290 nan 0.000 0.543 3557 A N 0.740 123.587 122.820 0.045 0.000 1.908 3557 A HA -0.032 4.292 4.320 0.007 0.000 0.218 3557 A C 2.317 180.060 177.584 0.266 0.000 1.181 3557 A CA 2.104 54.205 52.037 0.108 0.000 0.627 3557 A CB -0.360 18.616 19.000 -0.039 0.000 0.818 3557 A HN 0.397 nan 8.150 nan 0.000 0.445 3558 K N -0.197 120.345 120.400 0.236 0.000 2.057 3558 K HA -0.093 4.231 4.320 0.007 0.000 0.206 3558 K C 2.053 178.762 176.600 0.181 0.000 1.050 3558 K CA 1.532 57.977 56.287 0.263 0.000 0.935 3558 K CB -0.140 32.473 32.500 0.189 0.000 0.715 3558 K HN 0.405 nan 8.250 nan 0.000 0.439 3559 K N 0.492 120.967 120.400 0.126 0.000 2.097 3559 K HA -0.119 4.205 4.320 0.007 0.000 0.206 3559 K C 2.017 178.675 176.600 0.096 0.000 1.049 3559 K CA 1.168 57.513 56.287 0.095 0.000 0.933 3559 K CB -0.078 32.459 32.500 0.062 0.000 0.717 3559 K HN -0.039 nan 8.250 nan 0.000 0.442 3560 V N 1.877 121.857 119.914 0.110 0.000 2.307 3560 V HA -0.210 3.914 4.120 0.007 0.000 0.245 3560 V C 2.157 178.322 176.094 0.118 0.000 1.045 3560 V CA 1.698 64.057 62.300 0.099 0.000 1.024 3560 V CB -0.346 31.541 31.823 0.106 0.000 0.651 3560 V HN 0.279 nan 8.190 nan 0.000 0.449 3561 E N 0.272 120.576 120.200 0.173 0.000 2.110 3561 E HA -0.159 4.196 4.350 0.007 0.000 0.193 3561 E C 2.445 179.182 176.600 0.228 0.000 0.988 3561 E CA 1.545 58.070 56.400 0.209 0.000 0.804 3561 E CB -0.484 29.311 29.700 0.158 0.000 0.745 3561 E HN 0.548 nan 8.360 nan 0.000 0.458 3562 S N 0.739 116.570 115.700 0.220 0.000 2.368 3562 S HA -0.143 4.332 4.470 0.007 0.000 0.225 3562 S C 1.957 176.540 174.600 -0.028 0.000 1.030 3562 S CA 1.082 59.351 58.200 0.115 0.000 0.999 3562 S CB -0.111 63.182 63.200 0.154 0.000 0.844 3562 S HN 0.221 nan 8.310 nan 0.000 0.459 3563 R N 0.726 121.231 120.500 0.007 0.000 2.081 3563 R HA 0.012 4.356 4.340 0.007 0.000 0.235 3563 R C 2.149 178.418 176.300 -0.051 0.000 1.131 3563 R CA 1.226 57.311 56.100 -0.025 0.000 0.960 3563 R CB -0.330 29.965 30.300 -0.009 0.000 0.856 3563 R HN 0.380 nan 8.270 nan 0.000 0.436 3564 I N 0.892 121.447 120.570 -0.025 0.000 2.226 3564 I HA -0.276 3.898 4.170 0.007 0.000 0.245 3564 I C 2.122 178.188 176.117 -0.086 0.000 1.100 3564 I CA 1.364 62.647 61.300 -0.029 0.000 1.374 3564 I CB -0.354 37.683 38.000 0.061 0.000 1.057 3564 I HN 0.300 nan 8.210 nan 0.000 0.413 3565 N N 1.189 119.780 118.700 -0.182 0.000 2.188 3565 N HA -0.238 4.506 4.740 0.007 0.000 0.184 3565 N C 1.774 177.114 175.510 -0.282 0.000 1.018 3565 N CA 1.327 54.155 53.050 -0.370 0.000 0.858 3565 N CB -0.021 37.820 38.487 -1.077 0.000 0.989 3565 N HN -0.002 nan 8.380 nan 0.000 0.426 3566 K N 0.432 120.700 120.400 -0.219 0.000 2.097 3566 K HA 0.090 4.415 4.320 0.007 0.000 0.206 3566 K C 1.683 178.217 176.600 -0.110 0.000 1.049 3566 K CA 1.440 57.640 56.287 -0.146 0.000 0.933 3566 K CB -0.739 31.699 32.500 -0.103 0.000 0.717 3566 K HN 0.237 nan 8.250 nan 0.000 0.442 3567 A N 0.317 123.074 122.820 -0.104 0.000 2.015 3567 A HA -0.016 4.309 4.320 0.007 0.000 0.219 3567 A C 1.960 179.494 177.584 -0.083 0.000 1.163 3567 A CA 1.573 53.556 52.037 -0.089 0.000 0.646 3567 A CB -0.646 18.297 19.000 -0.095 0.000 0.806 3567 A HN 0.496 nan 8.150 nan 0.000 0.448 3568 I N -4.242 116.266 120.570 -0.103 0.000 3.854 3568 I HA 0.175 4.349 4.170 0.007 0.000 0.312 3568 I C 0.328 176.403 176.117 -0.069 0.000 1.273 3568 I CA 0.233 61.473 61.300 -0.100 0.000 1.298 3568 I CB -0.611 37.290 38.000 -0.165 0.000 1.071 3568 I HN -0.146 nan 8.210 nan 0.000 0.428 3569 T N 3.139 117.646 114.554 -0.079 0.000 2.784 3569 T HA 0.117 4.471 4.350 0.007 0.000 0.291 3569 T C -0.478 174.234 174.700 0.020 0.000 0.942 3569 T CA 0.108 62.176 62.100 -0.052 0.000 1.161 3569 T CB -0.302 68.510 68.868 -0.092 0.000 0.885 3569 T HN 0.208 nan 8.240 nan 0.000 0.534 3570 F N 4.847 124.739 119.950 -0.097 0.000 2.466 3570 F HA 0.434 4.966 4.527 0.008 0.000 0.363 3570 F C 0.707 176.492 175.800 -0.026 0.000 1.109 3570 F CA -0.861 57.101 58.000 -0.063 0.000 1.161 3570 F CB 0.220 39.172 39.000 -0.080 0.000 1.117 3570 F HN 0.405 nan 8.300 nan 0.000 0.539 3571 R N 7.807 127.995 120.500 -0.520 0.000 2.818 3571 R HA 0.355 4.700 4.340 0.007 0.000 0.258 3571 R C -2.905 173.208 176.300 -0.312 0.000 1.797 3571 R CA -1.575 54.310 56.100 -0.358 0.000 1.532 3571 R CB 0.368 30.610 30.300 -0.097 0.000 1.413 3571 R HN 0.338 nan 8.270 nan 0.000 0.622 3572 P HA 0.116 nan 4.420 nan 0.000 0.272 3572 P C -0.412 176.957 177.300 0.115 0.000 1.230 3572 P CA -0.172 62.821 63.100 -0.179 0.000 0.788 3572 P CB 1.251 32.849 31.700 -0.169 0.000 0.949 3573 S N 0.296 116.044 115.700 0.081 0.000 2.608 3573 S HA 0.094 4.568 4.470 0.007 0.000 0.261 3573 S C 1.493 176.184 174.600 0.151 0.000 1.314 3573 S CA -0.619 57.625 58.200 0.074 0.000 0.992 3573 S CB -0.057 63.165 63.200 0.037 0.000 0.935 3573 S HN 0.219 nan 8.310 nan 0.000 0.564 3574 V N 1.099 121.049 119.914 0.061 0.000 2.343 3574 V HA -0.166 3.959 4.120 0.007 0.000 0.247 3574 V C 2.777 178.959 176.094 0.147 0.000 1.051 3574 V CA 2.301 64.642 62.300 0.069 0.000 1.036 3574 V CB -1.303 30.492 31.823 -0.046 0.000 0.654 3574 V HN 1.031 nan 8.190 nan 0.000 0.451 3575 E N 0.343 120.603 120.200 0.101 0.000 2.051 3575 E HA -0.275 4.080 4.350 0.007 0.000 0.192 3575 E C 2.197 178.880 176.600 0.139 0.000 0.991 3575 E CA 1.800 58.261 56.400 0.102 0.000 0.799 3575 E CB -0.082 29.656 29.700 0.064 0.000 0.748 3575 E HN 0.737 nan 8.360 nan 0.000 0.449 3576 E N -0.150 120.136 120.200 0.143 0.000 2.077 3576 E HA -0.189 4.166 4.350 0.007 0.000 0.193 3576 E C 1.904 178.621 176.600 0.196 0.000 0.989 3576 E CA 1.088 57.575 56.400 0.144 0.000 0.800 3576 E CB -0.306 29.463 29.700 0.116 0.000 0.746 3576 E HN 0.295 nan 8.360 nan 0.000 0.452 3577 F N 1.341 121.354 119.950 0.105 0.000 2.063 3577 F HA -0.329 4.202 4.527 0.007 0.000 0.298 3577 F C 2.710 178.574 175.800 0.106 0.000 1.109 3577 F CA 1.865 59.943 58.000 0.131 0.000 1.212 3577 F CB -0.240 38.869 39.000 0.181 0.000 0.973 3577 F HN -0.050 nan 8.300 nan 0.000 0.480 3578 S N -0.535 115.401 115.700 0.394 0.000 2.368 3578 S HA -0.263 4.211 4.470 0.007 0.000 0.224 3578 S C 2.083 176.766 174.600 0.138 0.000 1.029 3578 S CA 1.561 59.915 58.200 0.257 0.000 0.988 3578 S CB -0.610 62.703 63.200 0.188 0.000 0.838 3578 S HN 0.643 nan 8.310 nan 0.000 0.462 3579 E N 0.140 120.409 120.200 0.115 0.000 2.110 3579 E HA -0.102 4.252 4.350 0.007 0.000 0.193 3579 E C 1.942 178.572 176.600 0.049 0.000 0.988 3579 E CA 1.328 57.772 56.400 0.074 0.000 0.804 3579 E CB -0.216 29.527 29.700 0.071 0.000 0.745 3579 E HN 0.659 nan 8.360 nan 0.000 0.458 3580 I N 1.045 121.639 120.570 0.040 0.000 2.315 3580 I HA -0.273 3.902 4.170 0.007 0.000 0.248 3580 I C 2.491 178.591 176.117 -0.029 0.000 1.117 3580 I CA 0.748 62.045 61.300 -0.005 0.000 1.404 3580 I CB -0.237 37.744 38.000 -0.033 0.000 1.071 3580 I HN 0.162 nan 8.210 nan 0.000 0.419 3581 Q N 0.575 120.363 119.800 -0.021 0.000 2.135 3581 Q HA -0.217 4.127 4.340 0.007 0.000 0.204 3581 Q C 1.710 177.723 176.000 0.021 0.000 0.981 3581 Q CA 1.531 57.334 55.803 0.000 0.000 0.856 3581 Q CB -0.399 28.373 28.738 0.057 0.000 0.902 3581 Q HN 0.550 nan 8.270 nan 0.000 0.425 3582 D N 0.472 120.891 120.400 0.032 0.000 2.091 3582 D HA -0.059 4.585 4.640 0.007 0.000 0.199 3582 D C 2.244 178.555 176.300 0.018 0.000 0.980 3582 D CA 0.615 54.633 54.000 0.030 0.000 0.831 3582 D CB -0.281 40.540 40.800 0.035 0.000 0.987 3582 D HN 0.160 nan 8.370 nan 0.000 0.460 3583 L N 0.630 121.860 121.223 0.011 0.000 2.042 3583 L HA -0.160 4.184 4.340 0.007 0.000 0.210 3583 L C 2.563 179.426 176.870 -0.011 0.000 1.076 3583 L CA 0.649 55.489 54.840 -0.000 0.000 0.749 3583 L CB -0.437 41.621 42.059 -0.001 0.000 0.893 3583 L HN -0.063 nan 8.230 nan 0.000 0.432 3584 V N -0.040 119.864 119.914 -0.018 0.000 2.469 3584 V HA -0.316 3.808 4.120 0.007 0.000 0.251 3584 V C 2.340 178.450 176.094 0.027 0.000 1.064 3584 V CA 1.827 64.114 62.300 -0.022 0.000 1.066 3584 V CB -0.590 31.222 31.823 -0.018 0.000 0.667 3584 V HN 0.444 nan 8.190 nan 0.000 0.461 3585 K N 0.206 120.624 120.400 0.030 0.000 2.365 3585 K HA -0.087 4.237 4.320 0.007 0.000 0.199 3585 K C 2.017 178.641 176.600 0.040 0.000 1.045 3585 K CA 1.523 57.836 56.287 0.042 0.000 0.962 3585 K CB -0.238 32.283 32.500 0.034 0.000 0.759 3585 K HN 0.718 nan 8.250 nan 0.000 0.469 3586 T N -1.345 113.225 114.554 0.027 0.000 3.065 3586 T HA 0.107 4.461 4.350 0.007 0.000 0.252 3586 T C 0.472 175.188 174.700 0.027 0.000 1.099 3586 T CA -0.301 61.812 62.100 0.021 0.000 1.063 3586 T CB 0.031 68.903 68.868 0.007 0.000 0.948 3586 T HN -0.183 nan 8.240 nan 0.000 0.506 3587 L N 3.311 124.557 121.223 0.038 0.000 2.462 3587 L HA 0.365 4.710 4.340 0.007 0.000 0.272 3587 L C -2.149 174.802 176.870 0.135 0.000 1.166 3587 L CA -2.228 52.646 54.840 0.056 0.000 0.880 3587 L CB -0.025 42.031 42.059 -0.005 0.000 1.142 3587 L HN 0.082 nan 8.230 nan 0.000 0.473 3588 P HA 0.175 nan 4.420 nan 0.000 0.267 3588 P C -0.833 176.573 177.300 0.177 0.000 1.205 3588 P CA -0.096 63.067 63.100 0.105 0.000 0.765 3588 P CB 0.401 32.139 31.700 0.064 0.000 0.828 3589 K N 1.579 122.029 120.400 0.084 0.000 2.656 3589 K HA 0.290 4.614 4.320 0.007 0.000 0.253 3589 K C -0.960 175.602 176.600 -0.064 0.000 1.002 3589 K CA -0.408 55.865 56.287 -0.023 0.000 0.880 3589 K CB 1.227 33.681 32.500 -0.076 0.000 1.232 3589 K HN 0.313 nan 8.250 nan 0.000 0.456 3590 T N 2.593 117.100 114.554 -0.079 0.000 2.901 3590 T HA 0.120 4.475 4.350 0.007 0.000 0.301 3590 T C 1.086 175.736 174.700 -0.084 0.000 1.012 3590 T CA -0.037 62.026 62.100 -0.063 0.000 1.135 3590 T CB 0.618 69.457 68.868 -0.047 0.000 0.936 3590 T HN 0.699 nan 8.240 nan 0.000 0.539 3591 K N 3.281 123.646 120.400 -0.059 0.000 2.305 3591 K HA 0.165 4.489 4.320 0.007 0.000 0.199 3591 K C 0.771 177.339 176.600 -0.054 0.000 1.047 3591 K CA 0.085 56.337 56.287 -0.059 0.000 0.976 3591 K CB 0.166 32.642 32.500 -0.041 0.000 0.765 3591 K HN 0.359 nan 8.250 nan 0.000 0.474 3592 V N 2.417 122.304 119.914 -0.046 0.000 2.398 3592 V HA 0.303 4.428 4.120 0.007 0.000 0.286 3592 V C -0.862 175.205 176.094 -0.044 0.000 1.026 3592 V CA -1.092 61.184 62.300 -0.040 0.000 0.868 3592 V CB 0.838 32.643 31.823 -0.029 0.000 0.982 3592 V HN 0.080 nan 8.190 nan 0.000 0.443 3593 I N 7.061 127.605 120.570 -0.045 0.000 2.441 3593 I HA 0.250 4.424 4.170 0.007 0.000 0.287 3593 I C 0.817 176.917 176.117 -0.029 0.000 1.049 3593 I CA 0.197 61.471 61.300 -0.043 0.000 1.381 3593 I CB 1.123 39.095 38.000 -0.046 0.000 1.409 3593 I HN 0.780 nan 8.210 nan 0.000 0.523 3594 E N 4.647 124.833 120.200 -0.022 0.000 2.422 3594 E HA 0.122 4.477 4.350 0.007 0.000 0.260 3594 E C -0.826 175.766 176.600 -0.013 0.000 1.108 3594 E CA -0.777 55.615 56.400 -0.014 0.000 0.943 3594 E CB 0.393 30.089 29.700 -0.007 0.000 0.961 3594 E HN 0.583 nan 8.360 nan 0.000 0.443 3595 D N 1.428 121.821 120.400 -0.011 0.000 2.377 3595 D HA -0.050 4.594 4.640 0.007 0.000 0.245 3595 D C 1.000 177.296 176.300 -0.007 0.000 1.196 3595 D CA -0.579 53.414 54.000 -0.011 0.000 0.962 3595 D CB 0.796 41.590 40.800 -0.011 0.000 1.127 3595 D HN 0.536 nan 8.370 nan 0.000 0.471 3596 L N 0.418 121.635 121.223 -0.010 0.000 2.013 3596 L HA -0.250 4.095 4.340 0.007 0.000 0.212 3596 L C 2.313 179.184 176.870 0.002 0.000 1.073 3596 L CA 2.093 56.928 54.840 -0.008 0.000 0.753 3596 L CB -0.518 41.532 42.059 -0.016 0.000 0.890 3596 L HN 0.559 nan 8.230 nan 0.000 0.432 3597 S N -1.488 114.212 115.700 -0.000 0.000 2.370 3597 S HA -0.212 4.262 4.470 0.007 0.000 0.226 3597 S C 1.867 176.471 174.600 0.007 0.000 1.033 3597 S CA 1.996 60.198 58.200 0.004 0.000 1.011 3597 S CB -0.393 62.807 63.200 0.000 0.000 0.852 3597 S HN 0.647 nan 8.310 nan 0.000 0.457 3598 T N 1.929 116.486 114.554 0.004 0.000 2.777 3598 T HA -0.015 4.339 4.350 0.007 0.000 0.266 3598 T C 1.815 176.522 174.700 0.013 0.000 1.040 3598 T CA 1.204 63.307 62.100 0.006 0.000 1.141 3598 T CB -0.198 68.671 68.868 0.001 0.000 0.868 3598 T HN 0.450 nan 8.240 nan 0.000 0.444 3599 K N 0.694 121.103 120.400 0.016 0.000 2.009 3599 K HA -0.100 4.225 4.320 0.007 0.000 0.210 3599 K C 2.630 179.253 176.600 0.038 0.000 1.049 3599 K CA 1.589 57.893 56.287 0.029 0.000 0.929 3599 K CB -0.546 31.972 32.500 0.030 0.000 0.714 3599 K HN 0.208 nan 8.250 nan 0.000 0.440 3600 T N 1.609 116.184 114.554 0.035 0.000 2.649 3600 T HA -0.189 4.165 4.350 0.007 0.000 0.268 3600 T C 1.648 176.367 174.700 0.032 0.000 1.036 3600 T CA 1.618 63.742 62.100 0.040 0.000 1.157 3600 T CB -0.311 68.575 68.868 0.030 0.000 0.861 3600 T HN 0.233 nan 8.240 nan 0.000 0.445 3601 N N 0.446 119.159 118.700 0.022 0.000 2.142 3601 N HA -0.072 4.673 4.740 0.007 0.000 0.186 3601 N C 1.985 177.505 175.510 0.016 0.000 1.023 3601 N CA 1.011 54.071 53.050 0.015 0.000 0.852 3601 N CB -0.265 38.227 38.487 0.009 0.000 0.998 3601 N HN 0.582 nan 8.380 nan 0.000 0.424 3602 E N 0.659 120.871 120.200 0.020 0.000 2.072 3602 E HA -0.076 4.279 4.350 0.007 0.000 0.191 3602 E C 2.020 178.637 176.600 0.028 0.000 0.985 3602 E CA 0.642 57.055 56.400 0.020 0.000 0.801 3602 E CB 0.058 29.773 29.700 0.025 0.000 0.750 3602 E HN 0.300 nan 8.360 nan 0.000 0.452 3603 I N 0.461 121.056 120.570 0.042 0.000 2.252 3603 I HA -0.215 3.960 4.170 0.007 0.000 0.245 3603 I C 2.372 178.511 176.117 0.037 0.000 1.102 3603 I CA 1.130 62.461 61.300 0.053 0.000 1.385 3603 I CB -0.388 37.657 38.000 0.075 0.000 1.064 3603 I HN 0.146 nan 8.210 nan 0.000 0.414 3604 T N 0.362 114.933 114.554 0.028 0.000 2.684 3604 T HA -0.160 4.194 4.350 0.007 0.000 0.267 3604 T C 1.814 176.519 174.700 0.009 0.000 1.036 3604 T CA 1.235 63.345 62.100 0.016 0.000 1.148 3604 T CB -0.193 68.683 68.868 0.012 0.000 0.863 3604 T HN 0.281 nan 8.240 nan 0.000 0.436 3605 E N 1.282 121.486 120.200 0.007 0.000 2.085 3605 E HA -0.067 4.288 4.350 0.007 0.000 0.194 3605 E C 2.554 179.150 176.600 -0.007 0.000 0.994 3605 E CA 1.192 57.591 56.400 -0.002 0.000 0.801 3605 E CB -0.574 29.123 29.700 -0.005 0.000 0.743 3605 E HN 0.524 nan 8.360 nan 0.000 0.453 3606 A N 0.926 123.746 122.820 -0.001 0.000 1.933 3606 A HA -0.156 4.169 4.320 0.007 0.000 0.218 3606 A C 2.222 179.807 177.584 0.001 0.000 1.175 3606 A CA 1.028 53.061 52.037 -0.007 0.000 0.628 3606 A CB -0.449 18.559 19.000 0.012 0.000 0.814 3606 A HN 0.157 nan 8.150 nan 0.000 0.444 3607 L N -0.520 120.711 121.223 0.013 0.000 2.056 3607 L HA -0.053 4.292 4.340 0.007 0.000 0.207 3607 L C 2.889 179.761 176.870 0.004 0.000 1.078 3607 L CA 1.918 56.767 54.840 0.015 0.000 0.749 3607 L CB -0.934 41.132 42.059 0.011 0.000 0.901 3607 L HN 0.382 nan 8.230 nan 0.000 0.433 3608 A N -1.090 121.729 122.820 -0.002 0.000 1.969 3608 A HA -0.060 4.265 4.320 0.007 0.000 0.218 3608 A C 2.441 180.018 177.584 -0.011 0.000 1.169 3608 A CA 1.347 53.380 52.037 -0.006 0.000 0.635 3608 A CB -0.804 18.192 19.000 -0.008 0.000 0.810 3608 A HN 0.406 nan 8.150 nan 0.000 0.445 3609 A N -0.155 122.654 122.820 -0.018 0.000 1.986 3609 A HA -0.125 4.199 4.320 0.007 0.000 0.220 3609 A C 2.159 179.727 177.584 -0.027 0.000 1.171 3609 A CA 2.345 54.364 52.037 -0.030 0.000 0.640 3609 A CB -0.997 17.973 19.000 -0.050 0.000 0.811 3609 A HN 0.832 nan 8.150 nan 0.000 0.451 3610 T N -4.066 110.478 114.554 -0.017 0.000 3.092 3610 T HA 0.379 4.734 4.350 0.007 0.000 0.258 3610 T C 0.341 175.045 174.700 0.007 0.000 1.031 3610 T CA 0.505 62.602 62.100 -0.005 0.000 0.925 3610 T CB -0.013 68.859 68.868 0.006 0.000 1.036 3610 T HN 0.311 nan 8.240 nan 0.000 0.544 3611 S N 0.411 116.113 115.700 0.003 0.000 2.707 3611 S HA 0.401 4.876 4.470 0.007 0.000 0.312 3611 S C 0.843 175.443 174.600 0.000 0.000 1.116 3611 S CA -0.840 57.362 58.200 0.005 0.000 1.078 3611 S CB 1.141 64.343 63.200 0.004 0.000 0.997 3611 S HN 0.309 nan 8.310 nan 0.000 0.477 3612 K N 2.317 122.718 120.400 0.002 0.000 2.063 3612 K HA -0.088 4.236 4.320 0.007 0.000 0.208 3612 K C 1.797 178.396 176.600 -0.002 0.000 1.048 3612 K CA 1.970 58.257 56.287 -0.000 0.000 0.928 3612 K CB -0.407 32.094 32.500 0.002 0.000 0.713 3612 K HN 0.611 nan 8.250 nan 0.000 0.442 3613 T N 1.791 116.345 114.554 -0.001 0.000 2.720 3613 T HA -0.110 4.244 4.350 0.007 0.000 0.268 3613 T C 1.898 176.595 174.700 -0.006 0.000 1.037 3613 T CA 1.189 63.287 62.100 -0.003 0.000 1.144 3613 T CB -0.187 68.679 68.868 -0.003 0.000 0.864 3613 T HN 0.160 nan 8.240 nan 0.000 0.444 3614 I N 0.918 121.485 120.570 -0.006 0.000 2.315 3614 I HA -0.160 4.014 4.170 0.007 0.000 0.248 3614 I C 2.694 178.806 176.117 -0.008 0.000 1.117 3614 I CA 1.175 62.470 61.300 -0.008 0.000 1.404 3614 I CB -0.446 37.549 38.000 -0.008 0.000 1.071 3614 I HN 0.297 nan 8.210 nan 0.000 0.419 3615 Q N 0.611 120.407 119.800 -0.007 0.000 2.170 3615 Q HA -0.147 4.197 4.340 0.007 0.000 0.203 3615 Q C 2.030 178.026 176.000 -0.006 0.000 0.976 3615 Q CA 1.210 57.009 55.803 -0.007 0.000 0.858 3615 Q CB -0.046 28.688 28.738 -0.007 0.000 0.907 3615 Q HN 0.503 nan 8.270 nan 0.000 0.433 3616 R N -0.376 120.121 120.500 -0.006 0.000 2.312 3616 R HA 0.086 4.430 4.340 0.007 0.000 0.205 3616 R C 0.081 176.377 176.300 -0.006 0.000 0.904 3616 R CA 0.477 56.574 56.100 -0.005 0.000 1.052 3616 R CB 0.767 31.064 30.300 -0.004 0.000 1.014 3616 R HN -0.053 nan 8.270 nan 0.000 0.503 3617 T N 1.782 116.332 114.554 -0.007 0.000 3.155 3617 T HA 0.202 4.556 4.350 0.007 0.000 0.384 3617 T C -2.249 172.446 174.700 -0.009 0.000 1.351 3617 T CA -1.513 60.582 62.100 -0.008 0.000 1.198 3617 T CB 1.751 70.613 68.868 -0.010 0.000 1.106 3617 T HN -0.154 nan 8.240 nan 0.000 0.564 3618 P HA -0.159 nan 4.420 nan 0.000 0.216 3618 P C 1.485 178.779 177.300 -0.009 0.000 1.153 3618 P CA 0.972 64.068 63.100 -0.008 0.000 0.858 3618 P CB 0.428 32.124 31.700 -0.006 0.000 0.789 3619 E N -0.781 119.413 120.200 -0.010 0.000 2.072 3619 E HA -0.187 4.167 4.350 0.007 0.000 0.191 3619 E C 1.863 178.454 176.600 -0.015 0.000 0.985 3619 E CA 0.692 57.085 56.400 -0.011 0.000 0.801 3619 E CB -0.536 29.158 29.700 -0.011 0.000 0.750 3619 E HN 0.008 nan 8.360 nan 0.000 0.452 3620 L N 1.661 122.874 121.223 -0.017 0.000 2.017 3620 L HA -0.170 4.174 4.340 0.007 0.000 0.208 3620 L C 2.287 179.145 176.870 -0.021 0.000 1.073 3620 L CA 2.117 56.944 54.840 -0.022 0.000 0.745 3620 L CB -0.606 41.441 42.059 -0.021 0.000 0.894 3620 L HN -0.002 nan 8.230 nan 0.000 0.432 3621 K N -0.606 119.785 120.400 -0.015 0.000 2.032 3621 K HA -0.285 4.040 4.320 0.007 0.000 0.209 3621 K C 2.166 178.759 176.600 -0.011 0.000 1.048 3621 K CA 1.829 58.108 56.287 -0.012 0.000 0.927 3621 K CB -0.226 32.269 32.500 -0.009 0.000 0.712 3621 K HN 0.388 nan 8.250 nan 0.000 0.441 3622 E N 0.872 121.066 120.200 -0.010 0.000 2.110 3622 E HA -0.207 4.147 4.350 0.007 0.000 0.193 3622 E C 1.928 178.522 176.600 -0.010 0.000 0.988 3622 E CA 1.648 58.043 56.400 -0.008 0.000 0.804 3622 E CB -0.005 29.691 29.700 -0.007 0.000 0.745 3622 E HN 0.405 nan 8.360 nan 0.000 0.458 3623 Q N -0.325 119.465 119.800 -0.017 0.000 2.084 3623 Q HA -0.102 4.242 4.340 0.007 0.000 0.202 3623 Q C 2.356 178.340 176.000 -0.025 0.000 0.978 3623 Q CA 1.586 57.375 55.803 -0.023 0.000 0.844 3623 Q CB -0.159 28.558 28.738 -0.035 0.000 0.898 3623 Q HN 0.347 nan 8.270 nan 0.000 0.426 3624 L N 0.620 121.827 121.223 -0.026 0.000 2.083 3624 L HA -0.188 4.157 4.340 0.007 0.000 0.209 3624 L C 2.518 179.383 176.870 -0.009 0.000 1.083 3624 L CA 1.123 55.947 54.840 -0.026 0.000 0.752 3624 L CB -0.481 41.562 42.059 -0.027 0.000 0.899 3624 L HN 0.189 nan 8.230 nan 0.000 0.433 3625 K N 0.064 120.463 120.400 -0.002 0.000 2.032 3625 K HA -0.185 4.140 4.320 0.007 0.000 0.209 3625 K C 2.040 178.649 176.600 0.016 0.000 1.048 3625 K CA 2.014 58.307 56.287 0.009 0.000 0.927 3625 K CB -0.072 32.432 32.500 0.006 0.000 0.712 3625 K HN 0.200 nan 8.250 nan 0.000 0.441 3626 T N 0.712 115.271 114.554 0.009 0.000 2.684 3626 T HA -0.155 4.199 4.350 0.007 0.000 0.267 3626 T C 1.874 176.589 174.700 0.026 0.000 1.036 3626 T CA 1.430 63.539 62.100 0.014 0.000 1.148 3626 T CB -0.376 68.496 68.868 0.007 0.000 0.863 3626 T HN 0.435 nan 8.240 nan 0.000 0.436 3627 A N 1.073 123.903 122.820 0.016 0.000 1.908 3627 A HA -0.045 4.279 4.320 0.007 0.000 0.218 3627 A C 2.308 179.933 177.584 0.069 0.000 1.181 3627 A CA 1.304 53.356 52.037 0.025 0.000 0.627 3627 A CB -0.824 18.164 19.000 -0.019 0.000 0.818 3627 A HN 0.531 nan 8.150 nan 0.000 0.445 3628 I N -0.695 119.911 120.570 0.061 0.000 2.179 3628 I HA -0.274 3.900 4.170 0.007 0.000 0.242 3628 I C 2.613 178.816 176.117 0.144 0.000 1.088 3628 I CA 1.881 63.249 61.300 0.114 0.000 1.357 3628 I CB -0.380 37.665 38.000 0.075 0.000 1.051 3628 I HN 0.558 nan 8.210 nan 0.000 0.409 3629 E N 1.167 121.416 120.200 0.082 0.000 2.058 3629 E HA -0.280 4.074 4.350 0.007 0.000 0.194 3629 E C 1.675 178.309 176.600 0.056 0.000 0.997 3629 E CA 1.828 58.262 56.400 0.057 0.000 0.801 3629 E CB 0.039 29.758 29.700 0.033 0.000 0.746 3629 E HN 0.392 nan 8.360 nan 0.000 0.450 3630 D N -0.042 120.399 120.400 0.069 0.000 2.123 3630 D HA -0.181 4.464 4.640 0.007 0.000 0.196 3630 D C 1.592 177.947 176.300 0.090 0.000 0.992 3630 D CA 1.005 55.044 54.000 0.066 0.000 0.833 3630 D CB -0.469 40.373 40.800 0.071 0.000 0.954 3630 D HN 0.246 nan 8.370 nan 0.000 0.455 3631 F N 1.244 121.194 119.950 -0.001 0.000 2.075 3631 F HA -0.114 4.417 4.527 0.007 0.000 0.297 3631 F C 2.046 177.850 175.800 0.006 0.000 1.113 3631 F CA 1.206 59.206 58.000 0.001 0.000 1.218 3631 F CB -0.491 38.509 39.000 -0.001 0.000 0.984 3631 F HN -0.101 nan 8.300 nan 0.000 0.472 3632 L N -0.101 121.012 121.223 -0.182 0.000 2.079 3632 L HA -0.247 4.098 4.340 0.007 0.000 0.210 3632 L C 2.550 179.286 176.870 -0.224 0.000 1.081 3632 L CA 1.649 56.324 54.840 -0.274 0.000 0.752 3632 L CB -0.885 41.142 42.059 -0.054 0.000 0.896 3632 L HN 0.262 nan 8.230 nan 0.000 0.433 3633 Q N 0.358 120.084 119.800 -0.124 0.000 2.050 3633 Q HA -0.172 4.172 4.340 0.007 0.000 0.202 3633 Q C 1.960 177.895 176.000 -0.110 0.000 0.980 3633 Q CA 1.710 57.461 55.803 -0.087 0.000 0.840 3633 Q CB 0.023 28.737 28.738 -0.040 0.000 0.898 3633 Q HN 0.411 nan 8.270 nan 0.000 0.424 3634 N N -1.018 117.606 118.700 -0.127 0.000 2.416 3634 N HA -0.045 4.699 4.740 0.007 0.000 0.177 3634 N C 1.379 176.797 175.510 -0.154 0.000 1.036 3634 N CA 1.138 54.126 53.050 -0.103 0.000 0.901 3634 N CB 0.160 38.619 38.487 -0.047 0.000 0.976 3634 N HN 0.352 nan 8.380 nan 0.000 0.444 3635 S N -0.506 115.015 115.700 -0.297 0.000 2.492 3635 S HA -0.005 4.469 4.470 0.007 0.000 0.218 3635 S C 0.905 175.376 174.600 -0.216 0.000 1.016 3635 S CA -0.320 57.694 58.200 -0.310 0.000 0.916 3635 S CB 0.044 62.865 63.200 -0.632 0.000 0.791 3635 S HN 0.238 nan 8.310 nan 0.000 0.513 3636 Q N 1.801 121.479 119.800 -0.204 0.000 2.308 3636 Q HA 0.217 4.561 4.340 0.007 0.000 0.313 3636 Q C 1.028 176.975 176.000 -0.088 0.000 1.075 3636 Q CA 1.118 56.842 55.803 -0.130 0.000 0.995 3636 Q CB -0.414 28.261 28.738 -0.106 0.000 1.107 3636 Q HN 0.779 nan 8.270 nan 0.000 0.380 3637 G N 3.674 112.432 108.800 -0.070 0.000 2.187 3637 G HA2 -0.297 3.667 3.960 0.007 0.000 0.261 3637 G HA3 -0.297 3.667 3.960 0.007 0.000 0.261 3637 G C -0.400 174.473 174.900 -0.045 0.000 1.000 3637 G CA 0.843 45.912 45.100 -0.051 0.000 0.718 3637 G HN 0.596 nan 8.290 nan 0.000 0.519 3638 K N -0.274 120.094 120.400 -0.053 0.000 2.395 3638 K HA 0.523 4.848 4.320 0.007 0.000 0.247 3638 K C -2.803 173.779 176.600 -0.031 0.000 0.973 3638 K CA -2.227 54.037 56.287 -0.039 0.000 0.828 3638 K CB 1.932 34.408 32.500 -0.041 0.000 1.272 3638 K HN -0.103 nan 8.250 nan 0.000 0.439 3639 P HA 0.014 nan 4.420 nan 0.000 0.267 3639 P C -0.337 176.970 177.300 0.011 0.000 1.209 3639 P CA -0.191 62.907 63.100 -0.002 0.000 0.763 3639 P CB 0.403 32.106 31.700 0.005 0.000 0.816 3640 L N 3.155 124.394 121.223 0.027 0.000 2.506 3640 L HA 0.126 4.470 4.340 0.007 0.000 0.281 3640 L C 0.657 177.575 176.870 0.080 0.000 1.228 3640 L CA 0.880 55.761 54.840 0.069 0.000 0.850 3640 L CB 0.356 42.480 42.059 0.108 0.000 1.110 3640 L HN 0.557 nan 8.230 nan 0.000 0.496 3641 T N -0.209 114.408 114.554 0.105 0.000 2.906 3641 T HA 0.318 4.673 4.350 0.007 0.000 0.295 3641 T C 0.900 175.682 174.700 0.138 0.000 1.075 3641 T CA -0.870 61.291 62.100 0.102 0.000 1.005 3641 T CB 1.638 70.554 68.868 0.079 0.000 1.136 3641 T HN 0.229 nan 8.240 nan 0.000 0.498 3642 V N 1.150 121.143 119.914 0.132 0.000 2.490 3642 V HA -0.148 3.977 4.120 0.007 0.000 0.250 3642 V C 2.904 179.109 176.094 0.184 0.000 1.061 3642 V CA 1.900 64.302 62.300 0.170 0.000 1.064 3642 V CB -1.054 30.861 31.823 0.153 0.000 0.670 3642 V HN 0.887 nan 8.190 nan 0.000 0.461 3643 Q N -0.418 119.467 119.800 0.141 0.000 2.050 3643 Q HA -0.172 4.172 4.340 0.007 0.000 0.202 3643 Q C 2.225 178.300 176.000 0.125 0.000 0.980 3643 Q CA 2.047 57.924 55.803 0.123 0.000 0.840 3643 Q CB -0.375 28.416 28.738 0.088 0.000 0.898 3643 Q HN 0.600 nan 8.270 nan 0.000 0.424 3644 M N -0.686 119.001 119.600 0.145 0.000 2.108 3644 M HA -0.204 4.281 4.480 0.007 0.000 0.261 3644 M C 1.947 178.370 176.300 0.206 0.000 1.066 3644 M CA 1.418 56.839 55.300 0.201 0.000 1.107 3644 M CB -0.400 32.352 32.600 0.253 0.000 1.356 3644 M HN 0.230 nan 8.290 nan 0.000 0.406 3645 I N -0.177 120.495 120.570 0.171 0.000 2.252 3645 I HA -0.237 3.937 4.170 0.007 0.000 0.245 3645 I C 2.191 178.273 176.117 -0.058 0.000 1.102 3645 I CA 1.306 62.641 61.300 0.059 0.000 1.385 3645 I CB -0.505 37.591 38.000 0.160 0.000 1.064 3645 I HN 0.343 nan 8.210 nan 0.000 0.414 3646 E N 0.971 121.208 120.200 0.062 0.000 2.085 3646 E HA -0.224 4.130 4.350 0.007 0.000 0.194 3646 E C 1.901 178.433 176.600 -0.113 0.000 0.994 3646 E CA 1.296 57.676 56.400 -0.034 0.000 0.801 3646 E CB -0.134 29.640 29.700 0.122 0.000 0.743 3646 E HN 0.472 nan 8.360 nan 0.000 0.453 3647 N N 0.805 119.495 118.700 -0.018 0.000 2.142 3647 N HA -0.144 4.600 4.740 0.007 0.000 0.186 3647 N C 1.885 177.388 175.510 -0.011 0.000 1.023 3647 N CA 0.641 53.698 53.050 0.011 0.000 0.852 3647 N CB -0.363 38.160 38.487 0.058 0.000 0.998 3647 N HN 0.096 nan 8.380 nan 0.000 0.424 3648 L N 1.963 123.151 121.223 -0.058 0.000 2.017 3648 L HA -0.094 4.250 4.340 0.007 0.000 0.208 3648 L C 1.828 178.550 176.870 -0.247 0.000 1.073 3648 L CA 1.727 56.472 54.840 -0.158 0.000 0.745 3648 L CB -1.061 40.771 42.059 -0.378 0.000 0.894 3648 L HN 0.226 nan 8.230 nan 0.000 0.432 3649 N N -1.348 117.115 118.700 -0.395 0.000 2.120 3649 N HA -0.309 4.436 4.740 0.007 0.000 0.188 3649 N C 2.120 177.429 175.510 -0.335 0.000 1.024 3649 N CA 1.582 54.310 53.050 -0.537 0.000 0.852 3649 N CB -0.347 37.399 38.487 -1.235 0.000 1.003 3649 N HN 0.675 nan 8.380 nan 0.000 0.424 3650 H N -0.092 118.782 119.070 -0.326 0.000 2.353 3650 H HA -0.067 4.493 4.556 0.007 0.000 0.300 3650 H C 1.853 177.099 175.328 -0.136 0.000 1.090 3650 H CA 1.810 57.741 56.048 -0.196 0.000 1.327 3650 H CB -0.292 29.387 29.762 -0.139 0.000 1.383 3650 H HN 0.367 nan 8.280 nan 0.000 0.508 3651 G N 0.747 109.479 108.800 -0.112 0.000 2.448 3651 G HA2 -0.141 3.824 3.960 0.007 0.000 0.219 3651 G HA3 -0.141 3.824 3.960 0.007 0.000 0.219 3651 G C 1.696 176.504 174.900 -0.153 0.000 1.127 3651 G CA 0.371 45.398 45.100 -0.122 0.000 0.766 3651 G HN 0.374 nan 8.290 nan 0.000 0.552 3652 L N -0.401 120.721 121.223 -0.169 0.000 2.612 3652 L HA 0.274 4.619 4.340 0.007 0.000 0.230 3652 L C 0.991 177.768 176.870 -0.156 0.000 1.140 3652 L CA 0.038 54.788 54.840 -0.149 0.000 0.896 3652 L CB 0.260 42.225 42.059 -0.157 0.000 1.065 3652 L HN 0.041 nan 8.230 nan 0.000 0.447 3653 R N -0.310 120.067 120.500 -0.205 0.000 2.724 3653 R HA 0.209 4.554 4.340 0.007 0.000 0.284 3653 R C -1.885 174.290 176.300 -0.208 0.000 1.481 3653 R CA -1.217 54.770 56.100 -0.188 0.000 1.652 3653 R CB 0.629 30.815 30.300 -0.189 0.000 1.175 3653 R HN -0.041 nan 8.270 nan 0.000 0.613 3654 P HA -0.050 nan 4.420 nan 0.000 0.217 3654 P C -0.056 177.187 177.300 -0.094 0.000 1.154 3654 P CA 0.843 63.865 63.100 -0.130 0.000 0.841 3654 P CB 0.343 31.989 31.700 -0.090 0.000 0.790 3655 D N -0.259 120.098 120.400 -0.071 0.000 2.519 3655 D HA -0.018 4.627 4.640 0.007 0.000 0.238 3655 D C 1.200 177.475 176.300 -0.042 0.000 1.192 3655 D CA 0.279 54.250 54.000 -0.047 0.000 0.835 3655 D CB -0.109 40.670 40.800 -0.036 0.000 0.975 3655 D HN 0.379 nan 8.370 nan 0.000 0.490 3656 E N 0.574 120.742 120.200 -0.054 0.000 2.307 3656 E HA 0.222 4.577 4.350 0.007 0.000 0.195 3656 E C 0.821 177.410 176.600 -0.019 0.000 0.975 3656 E CA 0.346 56.722 56.400 -0.041 0.000 0.878 3656 E CB 0.490 30.153 29.700 -0.061 0.000 0.845 3656 E HN 0.248 nan 8.360 nan 0.000 0.488 3657 G N 0.985 109.775 108.800 -0.016 0.000 2.707 3657 G HA2 -0.165 3.799 3.960 0.007 0.000 0.686 3657 G HA3 -0.165 3.799 3.960 0.007 0.000 0.686 3657 G C -0.892 174.018 174.900 0.016 0.000 1.315 3657 G CA -0.452 44.648 45.100 0.000 0.000 0.832 3657 G HN 0.103 nan 8.290 nan 0.000 0.573 3658 E N 0.056 120.271 120.200 0.024 0.000 2.283 3658 E HA 0.565 4.919 4.350 0.007 0.000 0.271 3658 E C 1.183 177.806 176.600 0.037 0.000 1.031 3658 E CA 0.400 56.824 56.400 0.039 0.000 0.868 3658 E CB 1.110 30.829 29.700 0.032 0.000 1.094 3658 E HN 2.319 nan 8.360 nan 0.000 0.401 3659 G N 1.735 110.562 108.800 0.045 0.000 2.143 3659 G HA2 -0.245 3.719 3.960 0.007 0.000 0.249 3659 G HA3 -0.245 3.719 3.960 0.007 0.000 0.249 3659 G C 0.133 175.059 174.900 0.042 0.000 0.981 3659 G CA -0.101 45.022 45.100 0.038 0.000 0.665 3659 G HN 0.255 nan 8.290 nan 0.000 0.528 3660 R N -0.004 120.526 120.500 0.052 0.000 2.594 3660 R HA 0.447 4.791 4.340 0.007 0.000 0.272 3660 R C 1.162 177.499 176.300 0.062 0.000 1.074 3660 R CA -0.689 55.442 56.100 0.051 0.000 1.105 3660 R CB 0.177 30.506 30.300 0.048 0.000 1.008 3660 R HN 0.353 nan 8.270 nan 0.000 0.472 3661 L N 3.023 124.284 121.223 0.062 0.000 2.453 3661 L HA -0.030 4.315 4.340 0.007 0.000 0.272 3661 L C 1.824 178.749 176.870 0.092 0.000 1.182 3661 L CA -0.263 54.625 54.840 0.080 0.000 0.858 3661 L CB 0.194 42.302 42.059 0.082 0.000 1.120 3661 L HN 0.444 nan 8.230 nan 0.000 0.474 3662 L N 4.105 125.390 121.223 0.103 0.000 2.034 3662 L HA 0.009 4.354 4.340 0.007 0.000 0.203 3662 L C 0.367 177.296 176.870 0.098 0.000 1.074 3662 L CA 1.408 56.293 54.840 0.075 0.000 0.748 3662 L CB -0.207 41.860 42.059 0.014 0.000 0.905 3662 L HN 0.310 nan 8.230 nan 0.000 0.439 3663 Y N 1.063 121.459 120.300 0.160 0.000 2.301 3663 Y HA 0.242 4.796 4.550 0.007 0.000 0.328 3663 Y C 0.599 176.510 175.900 0.019 0.000 1.242 3663 Y CA -0.740 57.375 58.100 0.025 0.000 1.323 3663 Y CB 0.263 38.669 38.460 -0.090 0.000 1.266 3663 Y HN 0.127 nan 8.280 nan 0.000 0.527 3664 K N 1.893 122.383 120.400 0.151 0.000 2.382 3664 K HA 0.115 4.440 4.320 0.007 0.000 0.275 3664 K C 0.040 176.686 176.600 0.076 0.000 1.009 3664 K CA -0.487 55.851 56.287 0.086 0.000 0.970 3664 K CB 0.641 33.168 32.500 0.045 0.000 0.934 3664 K HN 0.816 nan 8.250 nan 0.000 0.479 3665 K N 0.917 121.352 120.400 0.058 0.000 2.367 3665 K HA 0.027 4.352 4.320 0.007 0.000 0.194 3665 K C -0.217 176.401 176.600 0.029 0.000 1.027 3665 K CA -0.064 56.248 56.287 0.042 0.000 1.075 3665 K CB 0.165 32.689 32.500 0.039 0.000 0.845 3665 K HN 0.827 nan 8.250 nan 0.000 0.529 3666 E N 0.268 120.490 120.200 0.036 0.000 2.458 3666 E HA 0.255 4.609 4.350 0.007 0.000 0.278 3666 E C -1.302 175.329 176.600 0.051 0.000 1.004 3666 E CA -1.127 55.294 56.400 0.035 0.000 0.823 3666 E CB 0.378 30.096 29.700 0.031 0.000 1.396 3666 E HN -0.138 nan 8.360 nan 0.000 0.463 3667 N N 1.079 119.814 118.700 0.059 0.000 2.440 3667 N HA 0.159 4.903 4.740 0.007 0.000 0.265 3667 N C -0.611 174.957 175.510 0.097 0.000 1.239 3667 N CA 0.506 53.609 53.050 0.088 0.000 0.909 3667 N CB 0.287 38.823 38.487 0.082 0.000 1.066 3667 N HN 0.328 nan 8.380 nan 0.000 0.474 3668 L N 0.844 122.146 121.223 0.131 0.000 2.323 3668 L HA 0.587 4.931 4.340 0.007 0.000 0.265 3668 L C 0.605 177.632 176.870 0.262 0.000 1.012 3668 L CA -0.604 54.318 54.840 0.138 0.000 0.820 3668 L CB 2.252 44.358 42.059 0.078 0.000 1.334 3668 L HN 0.373 nan 8.230 nan 0.000 0.427 3669 T N 0.884 115.578 114.554 0.234 0.000 2.821 3669 T HA 0.579 4.933 4.350 0.007 0.000 0.306 3669 T C -2.100 172.743 174.700 0.239 0.000 1.313 3669 T CA -0.693 61.588 62.100 0.301 0.000 1.012 3669 T CB 1.721 70.672 68.868 0.139 0.000 1.298 3669 T HN 0.729 nan 8.240 nan 0.000 0.502 3670 K N 2.121 122.669 120.400 0.247 0.000 2.575 3670 K HA 0.353 4.678 4.320 0.007 0.000 0.255 3670 K C -0.855 175.804 176.600 0.099 0.000 0.953 3670 K CA -0.674 55.707 56.287 0.156 0.000 0.840 3670 K CB 1.194 33.796 32.500 0.171 0.000 1.303 3670 K HN 0.901 nan 8.250 nan 0.000 0.438 3671 E N 1.750 121.982 120.200 0.054 0.000 2.216 3671 E HA -0.274 4.080 4.350 0.007 0.000 0.162 3671 E C -1.431 175.171 176.600 0.003 0.000 1.642 3671 E CA 1.128 57.545 56.400 0.029 0.000 0.599 3671 E CB -1.658 28.068 29.700 0.043 0.000 1.045 3671 E HN 0.709 nan 8.360 nan 0.000 0.308 3672 N N 1.261 119.940 118.700 -0.036 0.000 2.818 3672 N HA 0.414 5.158 4.740 0.007 0.000 0.301 3672 N C -0.549 174.894 175.510 -0.111 0.000 1.821 3672 N CA 0.235 53.259 53.050 -0.043 0.000 0.930 3672 N CB 1.621 40.085 38.487 -0.038 0.000 1.263 3672 N HN 0.613 nan 8.380 nan 0.000 0.487 3673 A N 0.182 122.893 122.820 -0.180 0.000 2.332 3673 A HA 0.508 4.832 4.320 0.007 0.000 0.258 3673 A C 0.029 177.316 177.584 -0.496 0.000 1.087 3673 A CA -0.257 51.509 52.037 -0.451 0.000 0.802 3673 A CB 0.581 19.069 19.000 -0.852 0.000 1.042 3673 A HN 0.224 nan 8.150 nan 0.000 0.489 3674 V N 2.122 121.712 119.914 -0.540 0.000 2.357 3674 V HA 0.467 4.592 4.120 0.007 0.000 0.284 3674 V C -0.960 174.873 176.094 -0.434 0.000 1.018 3674 V CA -0.039 62.051 62.300 -0.349 0.000 0.841 3674 V CB 0.272 31.993 31.823 -0.170 0.000 0.991 3674 V HN 0.665 nan 8.190 nan 0.000 0.437 3675 F N 1.231 121.204 119.950 0.039 0.000 2.541 3675 F HA 0.567 5.099 4.527 0.008 0.000 0.331 3675 F C 1.027 176.879 175.800 0.088 0.000 1.057 3675 F CA -0.656 57.378 58.000 0.057 0.000 0.975 3675 F CB 1.529 40.563 39.000 0.057 0.000 1.246 3675 F HN 0.342 nan 8.300 nan 0.000 0.484 3676 S N 0.252 116.157 115.700 0.343 0.000 2.576 3676 S HA 0.216 4.691 4.470 0.007 0.000 0.272 3676 S C 0.056 174.782 174.600 0.209 0.000 1.352 3676 S CA -0.715 57.638 58.200 0.254 0.000 1.021 3676 S CB 0.482 63.840 63.200 0.264 0.000 0.887 3676 S HN 0.708 nan 8.310 nan 0.000 0.542 3677 S N 1.954 117.768 115.700 0.190 0.000 2.596 3677 S HA 0.172 4.646 4.470 0.007 0.000 0.260 3677 S C -2.010 172.655 174.600 0.109 0.000 1.336 3677 S CA -0.954 57.346 58.200 0.167 0.000 0.993 3677 S CB -0.160 63.183 63.200 0.238 0.000 0.923 3677 S HN 0.349 nan 8.310 nan 0.000 0.567 3678 P HA -0.143 nan 4.420 nan 0.000 0.214 3678 P C 1.542 178.826 177.300 -0.028 0.000 1.163 3678 P CA 1.541 64.649 63.100 0.013 0.000 0.889 3678 P CB 0.004 31.707 31.700 0.005 0.000 0.790 3679 E N -0.347 119.865 120.200 0.020 0.000 2.072 3679 E HA -0.116 4.238 4.350 0.007 0.000 0.191 3679 E C 1.982 178.568 176.600 -0.023 0.000 0.985 3679 E CA 1.493 57.894 56.400 0.003 0.000 0.801 3679 E CB -1.214 28.537 29.700 0.086 0.000 0.750 3679 E HN 0.034 nan 8.360 nan 0.000 0.452 3680 A N 0.782 123.623 122.820 0.035 0.000 1.940 3680 A HA -0.094 4.230 4.320 0.007 0.000 0.219 3680 A C 2.418 179.888 177.584 -0.189 0.000 1.176 3680 A CA 2.149 54.094 52.037 -0.152 0.000 0.631 3680 A CB -0.976 17.922 19.000 -0.169 0.000 0.814 3680 A HN 0.377 nan 8.150 nan 0.000 0.446 3681 A N -0.282 122.476 122.820 -0.104 0.000 1.898 3681 A HA -0.131 4.194 4.320 0.007 0.000 0.216 3681 A C 2.118 179.588 177.584 -0.189 0.000 1.181 3681 A CA 1.701 53.666 52.037 -0.121 0.000 0.620 3681 A CB -0.373 18.624 19.000 -0.005 0.000 0.819 3681 A HN 0.546 nan 8.150 nan 0.000 0.442 3682 K N -0.357 119.921 120.400 -0.202 0.000 2.026 3682 K HA -0.047 4.277 4.320 0.007 0.000 0.208 3682 K C 1.836 178.319 176.600 -0.195 0.000 1.048 3682 K CA 1.517 57.657 56.287 -0.245 0.000 0.929 3682 K CB -0.414 31.882 32.500 -0.340 0.000 0.713 3682 K HN 0.512 nan 8.250 nan 0.000 0.439 3683 I N 1.471 121.923 120.570 -0.197 0.000 2.151 3683 I HA -0.333 3.841 4.170 0.007 0.000 0.243 3683 I C 2.181 178.177 176.117 -0.202 0.000 1.080 3683 I CA 1.584 62.775 61.300 -0.181 0.000 1.339 3683 I CB -0.241 37.640 38.000 -0.199 0.000 1.039 3683 I HN 0.254 nan 8.210 nan 0.000 0.409 3684 Q N -0.208 119.395 119.800 -0.328 0.000 2.424 3684 Q HA -0.052 4.292 4.340 0.007 0.000 0.204 3684 Q C 2.039 177.850 176.000 -0.314 0.000 0.933 3684 Q CA 0.337 55.866 55.803 -0.455 0.000 0.929 3684 Q CB 0.173 28.307 28.738 -1.008 0.000 1.037 3684 Q HN 0.402 nan 8.270 nan 0.000 0.511 3685 L N 0.793 121.907 121.223 -0.182 0.000 2.027 3685 L HA -0.057 4.287 4.340 0.007 0.000 0.206 3685 L C 2.173 179.069 176.870 0.044 0.000 1.074 3685 L CA 2.001 56.848 54.840 0.012 0.000 0.745 3685 L CB -0.705 41.376 42.059 0.035 0.000 0.898 3685 L HN 0.101 nan 8.230 nan 0.000 0.433 3686 A N -0.689 122.131 122.820 -0.000 0.000 1.940 3686 A HA -0.239 4.085 4.320 0.007 0.000 0.219 3686 A C 2.163 179.772 177.584 0.042 0.000 1.176 3686 A CA 1.940 53.992 52.037 0.025 0.000 0.631 3686 A CB -0.669 18.327 19.000 -0.008 0.000 0.814 3686 A HN 0.643 nan 8.150 nan 0.000 0.446 3687 E N -0.996 119.213 120.200 0.015 0.000 2.106 3687 E HA -0.116 4.239 4.350 0.007 0.000 0.192 3687 E C 2.043 178.719 176.600 0.127 0.000 0.984 3687 E CA 1.520 57.949 56.400 0.048 0.000 0.806 3687 E CB -0.278 29.424 29.700 0.004 0.000 0.750 3687 E HN 0.601 nan 8.360 nan 0.000 0.458 3688 T N 0.839 115.481 114.554 0.147 0.000 2.777 3688 T HA -0.110 4.244 4.350 0.007 0.000 0.266 3688 T C 2.116 176.972 174.700 0.260 0.000 1.040 3688 T CA 0.820 63.068 62.100 0.246 0.000 1.141 3688 T CB -0.174 68.854 68.868 0.266 0.000 0.868 3688 T HN -0.032 nan 8.240 nan 0.000 0.444 3689 V N 1.981 122.004 119.914 0.181 0.000 2.282 3689 V HA -0.228 3.896 4.120 0.007 0.000 0.249 3689 V C 2.453 178.623 176.094 0.127 0.000 1.057 3689 V CA 2.139 64.528 62.300 0.149 0.000 1.032 3689 V CB -0.622 31.276 31.823 0.125 0.000 0.645 3689 V HN 0.466 nan 8.190 nan 0.000 0.447 3690 D N -0.747 119.729 120.400 0.127 0.000 2.144 3690 D HA -0.222 4.422 4.640 0.007 0.000 0.199 3690 D C 1.902 178.280 176.300 0.130 0.000 0.984 3690 D CA 1.235 55.298 54.000 0.105 0.000 0.834 3690 D CB -0.223 40.634 40.800 0.096 0.000 0.955 3690 D HN 0.398 nan 8.370 nan 0.000 0.465 3691 F N 0.850 120.822 119.950 0.036 0.000 2.126 3691 F HA -0.085 4.447 4.527 0.009 0.000 0.299 3691 F C 2.008 177.821 175.800 0.020 0.000 1.096 3691 F CA 1.218 59.235 58.000 0.028 0.000 1.255 3691 F CB -0.343 38.678 39.000 0.035 0.000 0.997 3691 F HN -0.004 nan 8.300 nan 0.000 0.479 3692 I N 0.343 120.867 120.570 -0.076 0.000 2.226 3692 I HA -0.330 3.844 4.170 0.007 0.000 0.245 3692 I C 1.986 178.007 176.117 -0.161 0.000 1.100 3692 I CA 1.201 62.396 61.300 -0.176 0.000 1.374 3692 I CB -0.582 37.427 38.000 0.014 0.000 1.057 3692 I HN 0.198 nan 8.210 nan 0.000 0.413 3693 N N 0.767 119.424 118.700 -0.072 0.000 2.135 3693 N HA -0.088 4.657 4.740 0.007 0.000 0.186 3693 N C 1.919 177.381 175.510 -0.080 0.000 1.027 3693 N CA 1.033 54.050 53.050 -0.054 0.000 0.849 3693 N CB -0.285 38.197 38.487 -0.008 0.000 1.002 3693 N HN 0.310 nan 8.380 nan 0.000 0.425 3694 R N 0.956 121.407 120.500 -0.082 0.000 2.073 3694 R HA 0.021 4.365 4.340 0.007 0.000 0.234 3694 R C 2.160 178.379 176.300 -0.135 0.000 1.134 3694 R CA 1.249 57.306 56.100 -0.072 0.000 0.952 3694 R CB -0.518 29.773 30.300 -0.014 0.000 0.850 3694 R HN 0.187 nan 8.270 nan 0.000 0.433 3695 A N 1.613 124.260 122.820 -0.288 0.000 1.940 3695 A HA -0.225 4.099 4.320 0.007 0.000 0.219 3695 A C 2.128 179.591 177.584 -0.203 0.000 1.176 3695 A CA 1.644 53.481 52.037 -0.334 0.000 0.631 3695 A CB -0.404 18.179 19.000 -0.695 0.000 0.814 3695 A HN 0.247 nan 8.150 nan 0.000 0.446 3696 K N -0.662 119.631 120.400 -0.177 0.000 2.097 3696 K HA -0.147 4.177 4.320 0.007 0.000 0.205 3696 K C 1.640 178.196 176.600 -0.073 0.000 1.050 3696 K CA 1.289 57.511 56.287 -0.108 0.000 0.938 3696 K CB -0.182 32.266 32.500 -0.088 0.000 0.718 3696 K HN 0.408 nan 8.250 nan 0.000 0.442 3697 N N 1.449 120.109 118.700 -0.067 0.000 2.120 3697 N HA -0.136 4.608 4.740 0.007 0.000 0.188 3697 N C 1.015 176.503 175.510 -0.036 0.000 1.024 3697 N CA 1.198 54.223 53.050 -0.043 0.000 0.852 3697 N CB -0.014 38.454 38.487 -0.033 0.000 1.003 3697 N HN 0.355 nan 8.380 nan 0.000 0.424 3698 E N -0.115 120.059 120.200 -0.044 0.000 2.511 3698 E HA 0.091 4.446 4.350 0.007 0.000 0.196 3698 E C 0.545 177.127 176.600 -0.030 0.000 1.066 3698 E CA 0.121 56.504 56.400 -0.029 0.000 0.871 3698 E CB -0.040 29.646 29.700 -0.024 0.000 0.863 3698 E HN 0.350 nan 8.360 nan 0.000 0.520 3699 G N 2.220 110.995 108.800 -0.042 0.000 2.249 3699 G HA2 -0.301 3.663 3.960 0.007 0.000 0.273 3699 G HA3 -0.301 3.663 3.960 0.007 0.000 0.273 3699 G C 0.199 175.077 174.900 -0.038 0.000 1.036 3699 G CA 0.006 45.084 45.100 -0.035 0.000 0.824 3699 G HN 0.251 nan 8.290 nan 0.000 0.504 3700 I N 0.274 120.807 120.570 -0.061 0.000 2.556 3700 I HA 0.137 4.311 4.170 0.007 0.000 0.284 3700 I C 1.123 177.199 176.117 -0.068 0.000 1.114 3700 I CA -0.510 60.748 61.300 -0.070 0.000 1.418 3700 I CB 0.767 38.706 38.000 -0.101 0.000 1.394 3700 I HN 0.275 nan 8.210 nan 0.000 0.552 3701 E N 9.821 129.988 120.200 -0.056 0.000 2.905 3701 E HA -0.117 4.237 4.350 0.007 0.000 0.240 3701 E C -1.958 174.621 176.600 -0.035 0.000 0.990 3701 E CA -0.669 55.714 56.400 -0.028 0.000 0.954 3701 E CB 0.493 30.162 29.700 -0.052 0.000 0.908 3701 E HN 0.270 nan 8.360 nan 0.000 0.532 3702 P HA -0.198 nan 4.420 nan 0.000 0.216 3702 P C 1.128 178.437 177.300 0.015 0.000 1.150 3702 P CA 1.810 64.939 63.100 0.049 0.000 0.837 3702 P CB 0.013 31.806 31.700 0.154 0.000 0.786 3703 S N -1.298 114.389 115.700 -0.021 0.000 2.382 3703 S HA -0.114 4.360 4.470 0.007 0.000 0.228 3703 S C 1.959 176.434 174.600 -0.209 0.000 1.027 3703 S CA 1.422 59.510 58.200 -0.187 0.000 0.991 3703 S CB -1.686 61.222 63.200 -0.488 0.000 0.823 3703 S HN -0.025 nan 8.310 nan 0.000 0.469 3704 V N 1.534 121.321 119.914 -0.211 0.000 2.379 3704 V HA -0.062 4.062 4.120 0.007 0.000 0.245 3704 V C 2.658 178.572 176.094 -0.301 0.000 1.044 3704 V CA 1.280 63.404 62.300 -0.294 0.000 1.036 3704 V CB -0.714 30.923 31.823 -0.309 0.000 0.664 3704 V HN 0.435 nan 8.190 nan 0.000 0.453 3705 V N 1.221 121.016 119.914 -0.198 0.000 2.332 3705 V HA -0.214 3.910 4.120 0.007 0.000 0.248 3705 V C 2.673 178.691 176.094 -0.126 0.000 1.055 3705 V CA 2.300 64.528 62.300 -0.119 0.000 1.038 3705 V CB -1.452 30.265 31.823 -0.177 0.000 0.651 3705 V HN 0.607 nan 8.190 nan 0.000 0.450 3706 G N -0.430 108.256 108.800 -0.191 0.000 2.446 3706 G HA2 -0.252 3.713 3.960 0.007 0.000 0.217 3706 G HA3 -0.252 3.713 3.960 0.007 0.000 0.217 3706 G C 1.780 176.320 174.900 -0.599 0.000 1.168 3706 G CA 1.179 46.138 45.100 -0.235 0.000 0.771 3706 G HN 0.623 nan 8.290 nan 0.000 0.551 3707 A N 0.549 122.733 122.820 -1.061 0.000 1.877 3707 A HA 0.069 4.393 4.320 0.007 0.000 0.216 3707 A C 2.474 179.723 177.584 -0.559 0.000 1.186 3707 A CA 1.434 52.565 52.037 -1.510 0.000 0.620 3707 A CB -0.453 17.841 19.000 -1.176 0.000 0.822 3707 A HN 0.359 nan 8.150 nan 0.000 0.443 3708 L N -0.662 120.363 121.223 -0.331 0.000 2.056 3708 L HA -0.151 4.193 4.340 0.007 0.000 0.207 3708 L C 2.546 179.373 176.870 -0.071 0.000 1.078 3708 L CA 1.030 55.774 54.840 -0.161 0.000 0.749 3708 L CB -0.627 41.343 42.059 -0.150 0.000 0.901 3708 L HN 0.239 nan 8.230 nan 0.000 0.433 3709 V N -0.801 119.116 119.914 0.006 0.000 2.287 3709 V HA -0.358 3.766 4.120 0.007 0.000 0.248 3709 V C 2.258 178.377 176.094 0.041 0.000 1.053 3709 V CA 2.015 64.358 62.300 0.072 0.000 1.027 3709 V CB -0.680 31.214 31.823 0.118 0.000 0.646 3709 V HN 0.396 nan 8.190 nan 0.000 0.447 3710 Y N 0.686 120.918 120.300 -0.113 0.000 2.069 3710 Y HA -0.375 4.179 4.550 0.007 0.000 0.278 3710 Y C 2.831 178.724 175.900 -0.011 0.000 1.175 3710 Y CA 2.630 60.697 58.100 -0.054 0.000 1.134 3710 Y CB -0.322 38.069 38.460 -0.115 0.000 0.965 3710 Y HN 0.270 nan 8.280 nan 0.000 0.498 3711 Q N 0.308 120.206 119.800 0.163 0.000 2.020 3711 Q HA -0.252 4.093 4.340 0.007 0.000 0.202 3711 Q C 2.431 178.348 176.000 -0.138 0.000 0.982 3711 Q CA 2.351 58.197 55.803 0.072 0.000 0.838 3711 Q CB -0.256 28.521 28.738 0.066 0.000 0.899 3711 Q HN 0.684 nan 8.270 nan 0.000 0.423 3712 R N -0.237 120.127 120.500 -0.226 0.000 2.115 3712 R HA -0.040 4.304 4.340 0.007 0.000 0.226 3712 R C 2.310 178.251 176.300 -0.599 0.000 1.100 3712 R CA 0.966 56.730 56.100 -0.560 0.000 0.980 3712 R CB -0.598 29.406 30.300 -0.493 0.000 0.875 3712 R HN 0.259 nan 8.270 nan 0.000 0.445 3713 L N 0.925 122.035 121.223 -0.188 0.000 2.083 3713 L HA -0.099 4.245 4.340 0.007 0.000 0.209 3713 L C 2.540 179.382 176.870 -0.046 0.000 1.083 3713 L CA 1.249 56.078 54.840 -0.019 0.000 0.752 3713 L CB -0.306 41.770 42.059 0.028 0.000 0.899 3713 L HN 0.206 nan 8.230 nan 0.000 0.433 3714 I N -0.489 120.010 120.570 -0.119 0.000 2.353 3714 I HA -0.215 3.959 4.170 0.007 0.000 0.248 3714 I C 2.735 178.916 176.117 0.108 0.000 1.119 3714 I CA 0.946 62.221 61.300 -0.043 0.000 1.417 3714 I CB -0.301 37.627 38.000 -0.120 0.000 1.078 3714 I HN 0.174 nan 8.210 nan 0.000 0.421 3715 A N 0.377 123.174 122.820 -0.039 0.000 1.898 3715 A HA -0.207 4.117 4.320 0.007 0.000 0.216 3715 A C 2.066 179.757 177.584 0.178 0.000 1.181 3715 A CA 1.473 53.518 52.037 0.015 0.000 0.620 3715 A CB -0.752 18.110 19.000 -0.230 0.000 0.819 3715 A HN 0.365 nan 8.150 nan 0.000 0.442 3716 Y N -0.857 119.521 120.300 0.131 0.000 2.220 3716 Y HA 0.290 4.844 4.550 0.006 0.000 0.291 3716 Y C 1.814 177.749 175.900 0.059 0.000 1.129 3716 Y CA -0.121 58.033 58.100 0.090 0.000 1.161 3716 Y CB -1.082 37.402 38.460 0.039 0.000 0.997 3716 Y HN 0.454 nan 8.280 nan 0.000 0.522 3717 A N 0.525 123.431 122.820 0.143 0.000 2.203 3717 A HA -0.200 4.124 4.320 0.007 0.000 0.279 3717 A C -1.734 175.822 177.584 -0.047 0.000 1.396 3717 A CA 0.536 52.532 52.037 -0.067 0.000 0.747 3717 A CB -1.566 17.118 19.000 -0.527 0.000 1.151 3717 A HN 0.328 nan 8.150 nan 0.000 0.345 3718 P HA 0.019 nan 4.420 nan 0.000 0.219 3718 P C 0.452 177.620 177.300 -0.220 0.000 1.150 3718 P CA 1.033 64.035 63.100 -0.163 0.000 0.814 3718 P CB 0.073 31.558 31.700 -0.359 0.000 0.787 3719 F N -1.207 118.751 119.950 0.013 0.000 2.378 3719 F HA 0.468 5.000 4.527 0.008 0.000 0.325 3719 F C 1.893 177.652 175.800 -0.068 0.000 1.097 3719 F CA -0.747 57.207 58.000 -0.076 0.000 1.079 3719 F CB 0.045 38.943 39.000 -0.170 0.000 1.240 3719 F HN -0.202 nan 8.300 nan 0.000 0.519 3720 A N 0.328 123.233 122.820 0.143 0.000 1.972 3720 A HA -0.032 4.292 4.320 0.007 0.000 0.219 3720 A C 0.453 178.052 177.584 0.025 0.000 1.169 3720 A CA 1.653 53.728 52.037 0.063 0.000 0.635 3720 A CB -0.409 18.629 19.000 0.064 0.000 0.810 3720 A HN 0.712 nan 8.150 nan 0.000 0.446 3721 E N -4.595 115.625 120.200 0.033 0.000 2.412 3721 E HA 0.477 4.831 4.350 0.007 0.000 0.279 3721 E C 0.100 176.676 176.600 -0.039 0.000 0.984 3721 E CA 0.255 56.646 56.400 -0.015 0.000 0.788 3721 E CB 1.482 31.167 29.700 -0.024 0.000 1.277 3721 E HN 0.874 nan 8.360 nan 0.000 0.455 3722 G N 1.934 110.699 108.800 -0.058 0.000 2.160 3722 G HA2 -0.344 3.620 3.960 0.007 0.000 0.251 3722 G HA3 -0.344 3.620 3.960 0.007 0.000 0.251 3722 G C 0.468 175.319 174.900 -0.082 0.000 1.008 3722 G CA 0.812 45.861 45.100 -0.084 0.000 0.724 3722 G HN 0.563 nan 8.290 nan 0.000 0.514 3723 N N 0.003 118.676 118.700 -0.045 0.000 2.188 3723 N HA 0.088 4.833 4.740 0.007 0.000 0.184 3723 N C 2.470 177.953 175.510 -0.045 0.000 1.018 3723 N CA 1.532 54.572 53.050 -0.017 0.000 0.858 3723 N CB -0.225 38.237 38.487 -0.041 0.000 0.989 3723 N HN 0.476 nan 8.380 nan 0.000 0.426 3724 G N 1.091 109.863 108.800 -0.047 0.000 2.414 3724 G HA2 -0.227 3.737 3.960 0.007 0.000 0.215 3724 G HA3 -0.227 3.737 3.960 0.007 0.000 0.215 3724 G C 1.518 176.403 174.900 -0.025 0.000 1.188 3724 G CA 0.445 45.524 45.100 -0.036 0.000 0.783 3724 G HN 0.191 nan 8.290 nan 0.000 0.537 3725 R N -0.581 119.900 120.500 -0.031 0.000 2.083 3725 R HA -0.021 4.324 4.340 0.007 0.000 0.237 3725 R C 2.596 178.856 176.300 -0.067 0.000 1.137 3725 R CA 1.595 57.673 56.100 -0.036 0.000 0.951 3725 R CB -0.449 29.816 30.300 -0.058 0.000 0.851 3725 R HN 0.374 nan 8.270 nan 0.000 0.434 3726 M N 0.495 120.031 119.600 -0.107 0.000 2.067 3726 M HA -0.169 4.315 4.480 0.007 0.000 0.260 3726 M C 2.280 178.515 176.300 -0.110 0.000 1.069 3726 M CA 2.112 57.316 55.300 -0.159 0.000 1.117 3726 M CB -0.238 32.253 32.600 -0.181 0.000 1.334 3726 M HN 0.250 nan 8.290 nan 0.000 0.407 3727 A N 0.720 123.504 122.820 -0.061 0.000 1.908 3727 A HA -0.220 4.104 4.320 0.007 0.000 0.218 3727 A C 2.080 179.682 177.584 0.030 0.000 1.181 3727 A CA 2.010 54.025 52.037 -0.038 0.000 0.627 3727 A CB -0.737 18.190 19.000 -0.121 0.000 0.818 3727 A HN 0.627 nan 8.150 nan 0.000 0.445 3728 R N -0.914 119.623 120.500 0.062 0.000 2.092 3728 R HA -0.040 4.305 4.340 0.007 0.000 0.231 3728 R C 2.034 178.411 176.300 0.128 0.000 1.119 3728 R CA 1.283 57.494 56.100 0.184 0.000 0.970 3728 R CB -0.513 29.910 30.300 0.205 0.000 0.864 3728 R HN 0.390 nan 8.270 nan 0.000 0.440 3729 V N 1.402 121.335 119.914 0.031 0.000 2.343 3729 V HA -0.240 3.884 4.120 0.007 0.000 0.247 3729 V C 2.226 178.343 176.094 0.037 0.000 1.051 3729 V CA 1.726 64.029 62.300 0.005 0.000 1.036 3729 V CB -0.337 31.413 31.823 -0.121 0.000 0.654 3729 V HN 0.265 nan 8.190 nan 0.000 0.451 3730 I N -0.520 120.030 120.570 -0.032 0.000 2.179 3730 I HA -0.198 3.976 4.170 0.007 0.000 0.242 3730 I C 2.386 178.591 176.117 0.148 0.000 1.088 3730 I CA 1.216 62.554 61.300 0.064 0.000 1.357 3730 I CB -0.418 37.591 38.000 0.014 0.000 1.051 3730 I HN 0.129 nan 8.210 nan 0.000 0.409 3731 V N 1.287 121.286 119.914 0.143 0.000 2.392 3731 V HA -0.279 3.845 4.120 0.007 0.000 0.249 3731 V C 2.072 178.276 176.094 0.184 0.000 1.059 3731 V CA 1.902 64.302 62.300 0.168 0.000 1.051 3731 V CB -0.800 31.168 31.823 0.242 0.000 0.658 3731 V HN 0.465 nan 8.190 nan 0.000 0.455 3732 N N -0.019 118.796 118.700 0.191 0.000 2.354 3732 N HA -0.115 4.629 4.740 0.007 0.000 0.179 3732 N C 1.813 177.420 175.510 0.162 0.000 1.021 3732 N CA 1.069 54.227 53.050 0.180 0.000 0.887 3732 N CB -0.263 38.322 38.487 0.163 0.000 0.974 3732 N HN 0.563 nan 8.380 nan 0.000 0.437 3733 K N 1.283 121.793 120.400 0.184 0.000 2.032 3733 K HA -0.048 4.277 4.320 0.007 0.000 0.209 3733 K C 1.909 178.585 176.600 0.127 0.000 1.048 3733 K CA 0.981 57.372 56.287 0.173 0.000 0.927 3733 K CB -0.137 32.526 32.500 0.271 0.000 0.712 3733 K HN 0.050 nan 8.250 nan 0.000 0.441 3734 I N 1.158 121.808 120.570 0.133 0.000 2.226 3734 I HA -0.303 3.871 4.170 0.007 0.000 0.245 3734 I C 2.250 178.442 176.117 0.125 0.000 1.100 3734 I CA 1.140 62.500 61.300 0.100 0.000 1.374 3734 I CB -0.185 37.862 38.000 0.078 0.000 1.057 3734 I HN 0.214 nan 8.210 nan 0.000 0.413 3735 L N 0.004 121.328 121.223 0.168 0.000 2.027 3735 L HA -0.188 4.156 4.340 0.007 0.000 0.206 3735 L C 2.510 179.498 176.870 0.197 0.000 1.074 3735 L CA 1.223 56.212 54.840 0.249 0.000 0.745 3735 L CB -0.545 41.667 42.059 0.256 0.000 0.898 3735 L HN 0.243 nan 8.230 nan 0.000 0.433 3736 L N -0.471 120.831 121.223 0.131 0.000 2.083 3736 L HA -0.217 4.127 4.340 0.007 0.000 0.209 3736 L C 2.115 179.000 176.870 0.024 0.000 1.083 3736 L CA 0.968 55.852 54.840 0.073 0.000 0.752 3736 L CB -0.785 41.315 42.059 0.068 0.000 0.899 3736 L HN 0.285 nan 8.230 nan 0.000 0.433 3737 D N 0.571 120.989 120.400 0.030 0.000 2.221 3737 D HA -0.153 4.492 4.640 0.007 0.000 0.204 3737 D C 1.919 178.194 176.300 -0.042 0.000 0.982 3737 D CA 1.472 55.469 54.000 -0.004 0.000 0.857 3737 D CB 0.124 40.926 40.800 0.004 0.000 0.934 3737 D HN 0.338 nan 8.370 nan 0.000 0.475 3738 A N -1.100 121.686 122.820 -0.056 0.000 2.308 3738 A HA 0.506 4.830 4.320 0.007 0.000 0.217 3738 A C 1.689 179.043 177.584 -0.382 0.000 1.216 3738 A CA 0.839 52.767 52.037 -0.181 0.000 0.864 3738 A CB 0.216 19.143 19.000 -0.123 0.000 0.902 3738 A HN 0.205 nan 8.150 nan 0.000 0.499 3739 G N -2.007 106.648 108.800 -0.240 0.000 2.157 3739 G HA2 -0.262 3.702 3.960 0.007 0.000 0.239 3739 G HA3 -0.262 3.702 3.960 0.007 0.000 0.239 3739 G C -0.037 174.740 174.900 -0.206 0.000 0.982 3739 G CA 0.232 45.196 45.100 -0.226 0.000 0.650 3739 G HN 0.360 nan 8.290 nan 0.000 0.527 3740 Y N 0.861 121.171 120.300 0.017 0.000 2.298 3740 Y HA 0.522 5.077 4.550 0.008 0.000 0.329 3740 Y C -1.458 174.454 175.900 0.021 0.000 1.293 3740 Y CA -2.170 55.943 58.100 0.021 0.000 1.388 3740 Y CB 0.220 38.703 38.460 0.039 0.000 1.309 3740 Y HN -0.000 nan 8.280 nan 0.000 0.544 3741 P HA 0.236 nan 4.420 nan 0.000 0.274 3741 P C -1.136 176.222 177.300 0.097 0.000 1.246 3741 P CA -0.460 62.697 63.100 0.096 0.000 0.795 3741 P CB 0.530 32.257 31.700 0.044 0.000 1.006 3742 A N 1.265 124.118 122.820 0.056 0.000 2.371 3742 A HA 0.412 4.737 4.320 0.007 0.000 0.257 3742 A C -0.550 177.054 177.584 0.033 0.000 1.089 3742 A CA -0.153 51.928 52.037 0.073 0.000 0.794 3742 A CB -0.490 18.541 19.000 0.053 0.000 1.029 3742 A HN 0.505 nan 8.150 nan 0.000 0.488 3743 F N 1.405 121.302 119.950 -0.088 0.000 2.397 3743 F HA 0.462 4.993 4.527 0.007 0.000 0.331 3743 F C 1.406 177.119 175.800 -0.145 0.000 1.090 3743 F CA 0.696 58.556 58.000 -0.234 0.000 1.065 3743 F CB 1.750 40.542 39.000 -0.346 0.000 1.184 3743 F HN 0.797 nan 8.300 nan 0.000 0.499 3744 T N 1.106 115.219 114.554 -0.734 0.000 3.507 3744 T HA 0.444 4.798 4.350 0.007 0.000 0.197 3744 T C -0.084 174.467 174.700 -0.249 0.000 0.847 3744 T CA -0.171 61.716 62.100 -0.354 0.000 1.531 3744 T CB 0.089 68.760 68.868 -0.329 0.000 1.834 3744 T HN 0.479 nan 8.240 nan 0.000 0.433 3745 K N -0.428 119.712 120.400 -0.433 0.000 2.466 3745 K HA 0.614 4.938 4.320 0.007 0.000 0.260 3745 K C -1.204 175.235 176.600 -0.268 0.000 1.011 3745 K CA -0.876 55.369 56.287 -0.070 0.000 0.871 3745 K CB 1.849 34.417 32.500 0.114 0.000 1.404 3745 K HN 0.173 nan 8.250 nan 0.000 0.450 3746 F N 0.937 121.010 119.950 0.206 0.000 2.373 3746 F HA 0.070 4.602 4.527 0.009 0.000 0.302 3746 F C 1.504 177.363 175.800 0.099 0.000 1.247 3746 F CA 0.056 58.161 58.000 0.175 0.000 1.169 3746 F CB 0.450 39.689 39.000 0.397 0.000 1.309 3746 F HN 0.494 nan 8.300 nan 0.000 0.537 3747 S N -0.102 115.801 115.700 0.338 0.000 2.589 3747 S HA 0.016 4.490 4.470 0.007 0.000 0.265 3747 S C 0.594 175.327 174.600 0.222 0.000 1.342 3747 S CA -0.622 57.699 58.200 0.201 0.000 1.005 3747 S CB 0.575 63.873 63.200 0.162 0.000 0.909 3747 S HN 0.546 nan 8.310 nan 0.000 0.555 3748 D N 1.177 121.662 120.400 0.141 0.000 2.218 3748 D HA -0.053 4.591 4.640 0.007 0.000 0.204 3748 D C 1.620 177.989 176.300 0.115 0.000 0.976 3748 D CA 1.378 55.449 54.000 0.119 0.000 0.853 3748 D CB -0.224 40.622 40.800 0.077 0.000 0.939 3748 D HN 0.762 nan 8.370 nan 0.000 0.481 3749 E N -0.781 119.496 120.200 0.128 0.000 2.230 3749 E HA 0.021 4.376 4.350 0.007 0.000 0.192 3749 E C 1.462 178.137 176.600 0.125 0.000 0.987 3749 E CA 0.171 56.635 56.400 0.107 0.000 0.841 3749 E CB -0.225 29.536 29.700 0.103 0.000 0.783 3749 E HN 0.276 nan 8.360 nan 0.000 0.481 3750 F N 0.866 120.837 119.950 0.034 0.000 2.505 3750 F HA 0.138 4.670 4.527 0.009 0.000 0.289 3750 F C 2.081 177.844 175.800 -0.062 0.000 1.101 3750 F CA 0.411 58.395 58.000 -0.027 0.000 1.446 3750 F CB 0.412 39.394 39.000 -0.029 0.000 1.123 3750 F HN -0.136 nan 8.300 nan 0.000 0.564 3751 E N 1.168 121.479 120.200 0.186 0.000 2.086 3751 E HA -0.215 4.139 4.350 0.007 0.000 0.200 3751 E C -0.877 175.708 176.600 -0.026 0.000 1.012 3751 E CA 2.064 58.567 56.400 0.171 0.000 0.812 3751 E CB -1.271 28.596 29.700 0.278 0.000 0.743 3751 E HN 0.216 nan 8.360 nan 0.000 0.453 3752 P HA -0.089 nan 4.420 nan 0.000 0.234 3752 P C 0.336 177.518 177.300 -0.196 0.000 1.167 3752 P CA 1.129 64.169 63.100 -0.099 0.000 0.763 3752 P CB 0.030 31.690 31.700 -0.067 0.000 0.835 3753 Q N -0.716 118.873 119.800 -0.351 0.000 2.402 3753 Q HA 0.082 4.426 4.340 0.007 0.000 0.206 3753 Q C 1.979 177.721 176.000 -0.430 0.000 0.919 3753 Q CA 0.422 55.957 55.803 -0.447 0.000 0.923 3753 Q CB -0.335 27.982 28.738 -0.703 0.000 1.048 3753 Q HN 0.403 nan 8.270 nan 0.000 0.515 3754 I N -1.209 119.128 120.570 -0.389 0.000 2.928 3754 I HA 0.120 4.295 4.170 0.007 0.000 0.266 3754 I C 0.782 176.815 176.117 -0.141 0.000 1.234 3754 I CA 0.290 61.442 61.300 -0.247 0.000 1.483 3754 I CB 0.105 38.031 38.000 -0.123 0.000 1.097 3754 I HN -0.004 nan 8.210 nan 0.000 0.455 3755 I N -2.659 117.822 120.570 -0.149 0.000 2.969 3755 I HA 0.682 4.856 4.170 0.007 0.000 0.307 3755 I C -2.956 173.064 176.117 -0.162 0.000 1.149 3755 I CA -2.641 58.573 61.300 -0.143 0.000 1.008 3755 I CB 1.579 39.494 38.000 -0.143 0.000 1.232 3755 I HN -0.305 nan 8.210 nan 0.000 0.435 3756 P HA 0.159 nan 4.420 nan 0.000 0.268 3756 P C -1.319 175.884 177.300 -0.161 0.000 1.205 3756 P CA 0.003 63.023 63.100 -0.134 0.000 0.771 3756 P CB 0.459 32.097 31.700 -0.103 0.000 0.858 3757 Q N 0.553 120.275 119.800 -0.130 0.000 2.348 3757 Q HA 0.270 4.615 4.340 0.007 0.000 0.271 3757 Q C 1.018 176.964 176.000 -0.091 0.000 1.067 3757 Q CA -0.389 55.338 55.803 -0.126 0.000 0.839 3757 Q CB 1.314 29.988 28.738 -0.107 0.000 1.354 3757 Q HN 0.483 nan 8.270 nan 0.000 0.447 3758 T N -2.639 111.866 114.554 -0.081 0.000 3.085 3758 T HA 0.052 4.406 4.350 0.007 0.000 0.263 3758 T C 0.596 175.273 174.700 -0.039 0.000 1.127 3758 T CA 0.499 62.568 62.100 -0.052 0.000 1.103 3758 T CB 0.285 69.129 68.868 -0.040 0.000 0.921 3758 T HN 0.254 nan 8.240 nan 0.000 0.510 3759 K N 0.956 121.330 120.400 -0.044 0.000 2.248 3759 K HA 0.606 4.930 4.320 0.007 0.000 0.281 3759 K C 1.268 177.846 176.600 -0.036 0.000 1.054 3759 K CA -0.186 56.080 56.287 -0.034 0.000 0.903 3759 K CB 0.925 33.406 32.500 -0.033 0.000 1.077 3759 K HN 0.123 nan 8.250 nan 0.000 0.474 3760 A N 2.789 125.592 122.820 -0.028 0.000 1.972 3760 A HA -0.159 4.166 4.320 0.007 0.000 0.219 3760 A C 1.936 179.503 177.584 -0.029 0.000 1.169 3760 A CA 2.033 54.054 52.037 -0.027 0.000 0.635 3760 A CB -0.494 18.494 19.000 -0.020 0.000 0.810 3760 A HN 0.854 nan 8.150 nan 0.000 0.446 3761 S N -0.574 115.110 115.700 -0.027 0.000 2.406 3761 S HA -0.043 4.431 4.470 0.007 0.000 0.228 3761 S C 1.009 175.589 174.600 -0.035 0.000 1.020 3761 S CA 0.993 59.178 58.200 -0.026 0.000 0.965 3761 S CB -1.162 62.027 63.200 -0.019 0.000 0.798 3761 S HN 0.404 nan 8.310 nan 0.000 0.488 3762 T N 3.512 118.040 114.554 -0.043 0.000 2.934 3762 T HA 0.153 4.507 4.350 0.007 0.000 0.306 3762 T C 0.098 174.756 174.700 -0.071 0.000 1.042 3762 T CA 0.193 62.258 62.100 -0.059 0.000 1.145 3762 T CB 0.299 69.125 68.868 -0.071 0.000 0.982 3762 T HN 0.383 nan 8.240 nan 0.000 0.544 3763 K N 1.738 122.089 120.400 -0.081 0.000 2.219 3763 K HA 0.397 4.721 4.320 0.007 0.000 0.258 3763 K C 0.397 176.917 176.600 -0.133 0.000 1.008 3763 K CA -0.365 55.867 56.287 -0.091 0.000 0.928 3763 K CB 0.629 33.080 32.500 -0.081 0.000 0.983 3763 K HN 0.502 nan 8.250 nan 0.000 0.484 3764 S N 0.359 115.986 115.700 -0.122 0.000 2.482 3764 S HA 0.657 5.131 4.470 0.007 0.000 0.303 3764 S C -1.343 173.169 174.600 -0.147 0.000 1.091 3764 S CA -0.724 57.391 58.200 -0.142 0.000 1.057 3764 S CB 1.157 64.296 63.200 -0.102 0.000 1.031 3764 S HN 0.609 nan 8.310 nan 0.000 0.485 3765 A N 3.269 125.970 122.820 -0.199 0.000 2.330 3765 A HA 0.723 5.047 4.320 0.007 0.000 0.327 3765 A C 0.472 178.007 177.584 -0.081 0.000 1.155 3765 A CA -0.627 51.321 52.037 -0.149 0.000 0.803 3765 A CB 0.745 19.578 19.000 -0.278 0.000 1.208 3765 A HN 1.003 nan 8.150 nan 0.000 0.477 3766 T N -0.154 114.387 114.554 -0.023 0.000 2.802 3766 T HA 0.227 4.582 4.350 0.007 0.000 0.305 3766 T C 1.451 176.168 174.700 0.028 0.000 1.053 3766 T CA 0.440 62.534 62.100 -0.009 0.000 1.058 3766 T CB 0.929 69.795 68.868 -0.004 0.000 0.988 3766 T HN 0.971 nan 8.240 nan 0.000 0.539 3767 S N 1.193 116.913 115.700 0.033 0.000 2.368 3767 S HA -0.212 4.262 4.470 0.007 0.000 0.226 3767 S C 2.251 176.971 174.600 0.200 0.000 1.044 3767 S CA 2.288 60.548 58.200 0.100 0.000 1.062 3767 S CB -1.243 62.029 63.200 0.119 0.000 0.931 3767 S HN 0.974 nan 8.310 nan 0.000 0.440 3768 S N 0.773 116.580 115.700 0.177 0.000 2.399 3768 S HA -0.050 4.424 4.470 0.007 0.000 0.231 3768 S C 1.704 176.418 174.600 0.189 0.000 1.022 3768 S CA 1.188 59.527 58.200 0.231 0.000 0.983 3768 S CB -0.685 62.509 63.200 -0.010 0.000 0.803 3768 S HN 0.703 nan 8.310 nan 0.000 0.480 3769 E N 0.790 121.076 120.200 0.143 0.000 2.150 3769 E HA -0.038 4.317 4.350 0.007 0.000 0.193 3769 E C 1.991 178.736 176.600 0.241 0.000 0.985 3769 E CA 1.007 57.507 56.400 0.168 0.000 0.814 3769 E CB -0.245 29.547 29.700 0.154 0.000 0.752 3769 E HN 0.404 nan 8.360 nan 0.000 0.466 3770 V N 0.563 120.620 119.914 0.238 0.000 2.379 3770 V HA -0.203 3.921 4.120 0.007 0.000 0.245 3770 V C 2.264 178.525 176.094 0.279 0.000 1.044 3770 V CA 1.091 63.557 62.300 0.277 0.000 1.036 3770 V CB -0.227 31.704 31.823 0.179 0.000 0.664 3770 V HN 0.131 nan 8.190 nan 0.000 0.453 3771 V N -0.160 119.871 119.914 0.195 0.000 2.287 3771 V HA -0.242 3.882 4.120 0.007 0.000 0.248 3771 V C 2.456 178.650 176.094 0.166 0.000 1.053 3771 V CA 2.042 64.415 62.300 0.122 0.000 1.027 3771 V CB -0.517 31.350 31.823 0.073 0.000 0.646 3771 V HN 0.396 nan 8.190 nan 0.000 0.447 3772 V N 0.009 120.013 119.914 0.151 0.000 2.287 3772 V HA -0.303 3.821 4.120 0.007 0.000 0.248 3772 V C 2.572 178.718 176.094 0.086 0.000 1.053 3772 V CA 2.444 64.807 62.300 0.105 0.000 1.027 3772 V CB -0.647 31.229 31.823 0.088 0.000 0.646 3772 V HN 0.631 nan 8.190 nan 0.000 0.447 3773 E N -0.001 120.236 120.200 0.062 0.000 2.077 3773 E HA -0.248 4.106 4.350 0.007 0.000 0.193 3773 E C 1.925 178.650 176.600 0.208 0.000 0.989 3773 E CA 1.626 57.999 56.400 -0.045 0.000 0.800 3773 E CB -0.515 28.820 29.700 -0.608 0.000 0.746 3773 E HN 0.527 nan 8.360 nan 0.000 0.452 3774 F N 0.566 120.669 119.950 0.255 0.000 2.091 3774 F HA -0.202 4.330 4.527 0.007 0.000 0.299 3774 F C 1.845 177.632 175.800 -0.022 0.000 1.103 3774 F CA 1.635 59.669 58.000 0.056 0.000 1.228 3774 F CB -0.108 38.827 39.000 -0.108 0.000 0.984 3774 F HN 0.053 nan 8.300 nan 0.000 0.477 3775 L N -0.129 121.220 121.223 0.211 0.000 2.093 3775 L HA -0.221 4.124 4.340 0.007 0.000 0.208 3775 L C 2.397 179.254 176.870 -0.022 0.000 1.085 3775 L CA 1.467 56.349 54.840 0.071 0.000 0.755 3775 L CB -0.702 41.387 42.059 0.049 0.000 0.904 3775 L HN 0.089 nan 8.230 nan 0.000 0.435 3776 K N -0.287 120.105 120.400 -0.015 0.000 2.057 3776 K HA -0.159 4.166 4.320 0.007 0.000 0.207 3776 K C 2.094 178.640 176.600 -0.090 0.000 1.049 3776 K CA 1.076 57.335 56.287 -0.047 0.000 0.931 3776 K CB -0.055 32.418 32.500 -0.044 0.000 0.714 3776 K HN 0.210 nan 8.250 nan 0.000 0.440 3777 E N 0.955 121.081 120.200 -0.122 0.000 2.077 3777 E HA -0.185 4.169 4.350 0.007 0.000 0.193 3777 E C 2.051 178.496 176.600 -0.258 0.000 0.989 3777 E CA 0.856 57.124 56.400 -0.219 0.000 0.800 3777 E CB -0.256 29.251 29.700 -0.321 0.000 0.746 3777 E HN 0.120 nan 8.360 nan 0.000 0.452 3778 L N 0.938 122.017 121.223 -0.240 0.000 2.083 3778 L HA -0.064 4.281 4.340 0.007 0.000 0.209 3778 L C 2.153 178.945 176.870 -0.131 0.000 1.083 3778 L CA 1.828 56.546 54.840 -0.203 0.000 0.752 3778 L CB -0.781 41.163 42.059 -0.191 0.000 0.899 3778 L HN 0.041 nan 8.230 nan 0.000 0.433 3779 A N -1.312 121.445 122.820 -0.104 0.000 2.121 3779 A HA -0.175 4.150 4.320 0.007 0.000 0.218 3779 A C 2.214 179.760 177.584 -0.063 0.000 1.154 3779 A CA 1.376 53.374 52.037 -0.065 0.000 0.679 3779 A CB -0.463 18.508 19.000 -0.048 0.000 0.795 3779 A HN 0.493 nan 8.150 nan 0.000 0.458 3780 K N -0.413 119.932 120.400 -0.092 0.000 2.365 3780 K HA 0.014 4.338 4.320 0.007 0.000 0.197 3780 K C 1.340 177.887 176.600 -0.088 0.000 1.042 3780 K CA 0.330 56.564 56.287 -0.088 0.000 0.987 3780 K CB 0.086 32.522 32.500 -0.107 0.000 0.779 3780 K HN 0.147 nan 8.250 nan 0.000 0.484 3781 K N 0.508 120.848 120.400 -0.101 0.000 2.218 3781 K HA -0.114 4.210 4.320 0.007 0.000 0.205 3781 K C 2.002 178.566 176.600 -0.060 0.000 1.046 3781 K CA 1.283 57.513 56.287 -0.096 0.000 0.933 3781 K CB -0.591 31.852 32.500 -0.095 0.000 0.728 3781 K HN 0.312 nan 8.250 nan 0.000 0.454 3782 G N 1.709 110.484 108.800 -0.041 0.000 2.453 3782 G HA2 -0.225 3.739 3.960 0.007 0.000 0.215 3782 G HA3 -0.225 3.739 3.960 0.007 0.000 0.215 3782 G C 0.831 175.712 174.900 -0.031 0.000 1.201 3782 G CA 0.978 46.061 45.100 -0.027 0.000 0.784 3782 G HN 0.468 nan 8.290 nan 0.000 0.545 3783 S N 0.000 115.680 115.700 -0.034 0.000 2.498 3783 S HA 0.000 4.474 4.470 0.007 0.000 0.327 3783 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 3783 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 3783 S HN 0.000 nan 8.310 nan 0.000 0.517