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 1a9x_1_D DATA FIRST_RESID 3502 DATA SEQUENCE IKSALLVLED GTQFHGRAIG ATGSAVGEVV FNTSMTGYQE ILTDPSYSRQ DATA SEQUENCE IVTLTYPHIG NVGTNDADEE SSQVHAQGLV IRDLPLIASN FRNTEDLSSY DATA SEQUENCE LKRHNIVAIA DIDTRKLTRL LREKGAQNGC IIAGDNPDAA LALEKARAFP DATA SEQUENCE GLNGMDLAKE VTTAEAYSWT QGSWTLTGGL PQAKKEDELP FHVVAYDFGA DATA SEQUENCE KRNILRMLVD RGCRLTIVPA QTSAEDVLKM NPDGIFLSNG PGDPAPCDYA DATA SEQUENCE ITAIQKFLET DIPVFGIXLG HQLLALASGA KTVKMKFGHH GGNHPVKDVE DATA SEQUENCE KNVVMITAQN HGFAVDEATL PANLRVTHKS LFDGTLQGIH RTDKPAFSFQ DATA SEQUENCE GNPEASPGPH DAAPLFDHFI ELIEQYRKT 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 3502 I HA 0.000 nan 4.170 nan 0.000 0.288 3502 I C 0.000 176.121 176.117 0.006 0.000 1.063 3502 I CA 0.000 61.303 61.300 0.004 0.000 1.566 3502 I CB 0.000 38.002 38.000 0.004 0.000 1.214 3503 K N 5.273 125.677 120.400 0.008 0.000 2.478 3503 K HA 0.564 4.885 4.320 0.001 0.000 0.236 3503 K C -0.693 175.916 176.600 0.014 0.000 1.021 3503 K CA -0.498 55.795 56.287 0.009 0.000 1.010 3503 K CB 1.309 33.813 32.500 0.006 0.000 1.331 3503 K HN 0.594 nan 8.250 nan 0.000 0.470 3504 S N 1.392 117.103 115.700 0.019 0.000 2.585 3504 S HA 0.579 5.049 4.470 0.001 0.000 0.273 3504 S C -0.140 174.479 174.600 0.031 0.000 1.339 3504 S CA -0.684 57.535 58.200 0.033 0.000 1.028 3504 S CB 1.254 64.480 63.200 0.043 0.000 0.906 3504 S HN 0.654 nan 8.310 nan 0.000 0.528 3505 A N 1.294 124.139 122.820 0.042 0.000 2.594 3505 A HA 0.799 5.120 4.320 0.001 0.000 0.295 3505 A C -1.426 176.175 177.584 0.028 0.000 1.071 3505 A CA -0.759 51.293 52.037 0.025 0.000 0.685 3505 A CB 1.256 20.259 19.000 0.004 0.000 1.285 3505 A HN 0.903 nan 8.150 nan 0.000 0.405 3506 L N 1.000 122.222 121.223 -0.002 0.000 2.466 3506 L HA 0.909 5.250 4.340 0.001 0.000 0.258 3506 L C -2.112 174.727 176.870 -0.052 0.000 0.973 3506 L CA -0.716 54.093 54.840 -0.052 0.000 0.826 3506 L CB 2.022 44.049 42.059 -0.052 0.000 1.372 3506 L HN 0.928 nan 8.230 nan 0.000 0.409 3507 L N 4.973 126.165 121.223 -0.051 0.000 2.356 3507 L HA 0.860 5.201 4.340 0.001 0.000 0.277 3507 L C -1.526 175.378 176.870 0.057 0.000 0.996 3507 L CA -0.304 54.539 54.840 0.004 0.000 0.822 3507 L CB 1.965 44.020 42.059 -0.006 0.000 1.256 3507 L HN 0.470 nan 8.230 nan 0.000 0.413 3508 V N 5.749 125.682 119.914 0.032 0.000 2.588 3508 V HA 0.500 4.620 4.120 0.001 0.000 0.304 3508 V C -0.050 176.074 176.094 0.052 0.000 1.042 3508 V CA -0.686 61.637 62.300 0.038 0.000 0.877 3508 V CB 1.630 33.452 31.823 -0.003 0.000 0.996 3508 V HN 0.670 nan 8.190 nan 0.000 0.425 3509 L N 2.991 124.261 121.223 0.079 0.000 2.360 3509 L HA 0.441 4.782 4.340 0.001 0.000 0.271 3509 L C 1.749 178.648 176.870 0.048 0.000 1.057 3509 L CA -0.556 54.328 54.840 0.072 0.000 0.803 3509 L CB 1.426 43.554 42.059 0.117 0.000 1.207 3509 L HN 0.924 nan 8.230 nan 0.000 0.445 3510 E N 0.488 120.718 120.200 0.050 0.000 2.219 3510 E HA -0.279 4.071 4.350 0.001 0.000 0.198 3510 E C 0.694 177.317 176.600 0.039 0.000 0.998 3510 E CA 1.691 58.121 56.400 0.050 0.000 0.818 3510 E CB -0.213 29.526 29.700 0.065 0.000 0.741 3510 E HN 0.813 nan 8.360 nan 0.000 0.477 3511 D N -0.152 120.270 120.400 0.038 0.000 2.349 3511 D HA 0.032 4.673 4.640 0.001 0.000 0.224 3511 D C 1.430 177.737 176.300 0.011 0.000 1.029 3511 D CA 0.795 54.810 54.000 0.025 0.000 0.879 3511 D CB 0.333 41.148 40.800 0.026 0.000 0.906 3511 D HN 0.408 nan 8.370 nan 0.000 0.528 3512 G N -0.545 108.261 108.800 0.010 0.000 2.176 3512 G HA2 -0.257 3.704 3.960 0.001 0.000 0.232 3512 G HA3 -0.257 3.704 3.960 0.001 0.000 0.232 3512 G C 0.419 175.296 174.900 -0.039 0.000 0.986 3512 G CA 0.212 45.307 45.100 -0.008 0.000 0.643 3512 G HN 0.456 nan 8.290 nan 0.000 0.522 3513 T N 1.637 116.163 114.554 -0.046 0.000 2.928 3513 T HA 0.442 4.793 4.350 0.001 0.000 0.305 3513 T C 0.321 174.891 174.700 -0.217 0.000 1.035 3513 T CA 0.608 62.616 62.100 -0.154 0.000 1.145 3513 T CB 1.224 70.012 68.868 -0.133 0.000 0.963 3513 T HN 0.473 nan 8.240 nan 0.000 0.545 3514 Q N 1.185 120.754 119.800 -0.385 0.000 2.345 3514 Q HA 0.606 4.947 4.340 0.001 0.000 0.268 3514 Q C -1.332 174.270 176.000 -0.663 0.000 1.054 3514 Q CA -0.648 54.932 55.803 -0.373 0.000 0.835 3514 Q CB 1.790 30.395 28.738 -0.222 0.000 1.339 3514 Q HN 0.591 nan 8.270 nan 0.000 0.447 3515 F N 1.257 121.016 119.950 -0.318 0.000 2.612 3515 F HA 0.302 4.830 4.527 0.001 0.000 0.332 3515 F C -0.378 175.204 175.800 -0.364 0.000 1.167 3515 F CA -0.770 57.090 58.000 -0.234 0.000 0.970 3515 F CB 1.320 40.235 39.000 -0.141 0.000 1.234 3515 F HN 0.412 nan 8.300 nan 0.000 0.453 3516 H N 2.100 121.232 119.070 0.103 0.000 2.517 3516 H HA 0.731 5.288 4.556 0.001 0.000 0.317 3516 H C 0.242 175.599 175.328 0.047 0.000 1.080 3516 H CA -0.324 55.757 56.048 0.054 0.000 1.301 3516 H CB 1.785 31.555 29.762 0.014 0.000 1.425 3516 H HN 0.873 nan 8.280 nan 0.000 0.471 3517 G N 1.836 110.706 108.800 0.115 0.000 2.871 3517 G HA2 0.373 4.333 3.960 0.001 0.000 0.282 3517 G HA3 0.373 4.333 3.960 0.001 0.000 0.282 3517 G C -1.042 173.882 174.900 0.040 0.000 1.212 3517 G CA -0.867 44.270 45.100 0.061 0.000 0.812 3517 G HN 0.540 nan 8.290 nan 0.000 0.547 3518 R N -0.550 119.957 120.500 0.013 0.000 2.740 3518 R HA 0.723 5.063 4.340 0.001 0.000 0.282 3518 R C -0.447 175.851 176.300 -0.004 0.000 0.969 3518 R CA -0.371 55.733 56.100 0.007 0.000 0.918 3518 R CB 1.843 32.144 30.300 0.001 0.000 1.175 3518 R HN 0.765 nan 8.270 nan 0.000 0.464 3519 A N 4.352 127.172 122.820 0.000 0.000 2.362 3519 A HA 0.335 4.655 4.320 0.001 0.000 0.276 3519 A C 0.720 178.301 177.584 -0.006 0.000 1.153 3519 A CA -0.595 51.439 52.037 -0.004 0.000 0.813 3519 A CB -0.298 18.703 19.000 0.001 0.000 1.081 3519 A HN 0.863 nan 8.150 nan 0.000 0.507 3520 I N 0.073 120.637 120.570 -0.011 0.000 4.338 3520 I HA 0.476 4.647 4.170 0.001 0.000 0.329 3520 I C 0.671 176.787 176.117 -0.000 0.000 1.378 3520 I CA 0.121 61.416 61.300 -0.008 0.000 1.170 3520 I CB 0.332 38.319 38.000 -0.021 0.000 1.206 3520 I HN 0.541 nan 8.210 nan 0.000 0.432 3521 G N 1.093 109.892 108.800 -0.001 0.000 3.264 3521 G HA2 0.778 4.738 3.960 0.001 0.000 0.168 3521 G HA3 0.778 4.738 3.960 0.001 0.000 0.168 3521 G C -0.570 174.333 174.900 0.005 0.000 1.145 3521 G CA -0.180 44.924 45.100 0.007 0.000 0.855 3521 G HN 0.288 nan 8.290 nan 0.000 0.629 3522 A N -0.855 121.967 122.820 0.003 0.000 2.313 3522 A HA 0.617 4.938 4.320 0.001 0.000 0.261 3522 A C 0.462 178.045 177.584 -0.002 0.000 1.090 3522 A CA 0.135 52.171 52.037 -0.000 0.000 0.807 3522 A CB -0.039 18.959 19.000 -0.003 0.000 1.055 3522 A HN 0.513 nan 8.150 nan 0.000 0.492 3523 T N 0.315 114.868 114.554 -0.001 0.000 2.889 3523 T HA 0.606 4.957 4.350 0.001 0.000 0.291 3523 T C 0.618 175.318 174.700 -0.001 0.000 0.995 3523 T CA 0.880 62.979 62.100 -0.000 0.000 1.092 3523 T CB 0.978 69.846 68.868 0.001 0.000 0.954 3523 T HN 1.762 nan 8.240 nan 0.000 0.506 3524 G N 1.582 110.382 108.800 -0.000 0.000 2.332 3524 G HA2 0.399 4.360 3.960 0.001 0.000 0.265 3524 G HA3 0.399 4.360 3.960 0.001 0.000 0.265 3524 G C -0.950 173.949 174.900 -0.001 0.000 1.329 3524 G CA -0.164 44.936 45.100 0.000 0.000 0.949 3524 G HN 1.140 nan 8.290 nan 0.000 0.476 3525 S N -1.081 114.618 115.700 -0.002 0.000 2.595 3525 S HA 0.979 5.449 4.470 0.001 0.000 0.281 3525 S C -0.457 174.136 174.600 -0.011 0.000 1.117 3525 S CA 0.495 58.691 58.200 -0.006 0.000 0.873 3525 S CB 1.874 65.075 63.200 0.001 0.000 1.108 3525 S HN 2.501 nan 8.310 nan 0.000 0.477 3526 A N 1.464 124.270 122.820 -0.025 0.000 2.422 3526 A HA 0.800 5.120 4.320 0.001 0.000 0.302 3526 A C -1.167 176.372 177.584 -0.075 0.000 1.041 3526 A CA -0.742 51.270 52.037 -0.043 0.000 0.708 3526 A CB 1.595 20.567 19.000 -0.046 0.000 1.257 3526 A HN 1.263 nan 8.150 nan 0.000 0.414 3527 V N 0.970 120.818 119.914 -0.110 0.000 2.656 3527 V HA 0.968 5.089 4.120 0.001 0.000 0.307 3527 V C 0.542 176.330 176.094 -0.510 0.000 1.051 3527 V CA 0.304 62.469 62.300 -0.225 0.000 0.893 3527 V CB 1.347 33.102 31.823 -0.115 0.000 0.999 3527 V HN 1.949 nan 8.190 nan 0.000 0.426 3528 G N 2.600 110.916 108.800 -0.806 0.000 2.317 3528 G HA2 0.353 4.314 3.960 0.001 0.000 0.293 3528 G HA3 0.353 4.314 3.960 0.001 0.000 0.293 3528 G C -1.550 172.948 174.900 -0.670 0.000 1.287 3528 G CA -0.651 43.757 45.100 -1.153 0.000 0.850 3528 G HN 0.782 nan 8.290 nan 0.000 0.515 3529 E N -0.150 119.839 120.200 -0.352 0.000 2.259 3529 E HA 0.473 4.823 4.350 0.001 0.000 0.281 3529 E C -0.280 176.274 176.600 -0.076 0.000 1.037 3529 E CA -0.515 55.838 56.400 -0.078 0.000 0.854 3529 E CB 1.227 30.981 29.700 0.090 0.000 1.051 3529 E HN 0.295 nan 8.360 nan 0.000 0.409 3530 V N 6.057 125.932 119.914 -0.064 0.000 2.432 3530 V HA 0.194 4.315 4.120 0.001 0.000 0.271 3530 V C 0.245 176.299 176.094 -0.067 0.000 1.046 3530 V CA -0.314 61.943 62.300 -0.071 0.000 0.945 3530 V CB 0.659 32.444 31.823 -0.064 0.000 0.992 3530 V HN 0.539 nan 8.190 nan 0.000 0.471 3531 V N 3.267 123.107 119.914 -0.124 0.000 3.001 3531 V HA 0.829 4.949 4.120 0.001 0.000 0.314 3531 V C -0.783 175.208 176.094 -0.172 0.000 1.099 3531 V CA -1.051 61.090 62.300 -0.264 0.000 0.989 3531 V CB 1.989 33.492 31.823 -0.533 0.000 1.040 3531 V HN 0.679 nan 8.190 nan 0.000 0.434 3532 F N 0.979 120.817 119.950 -0.187 0.000 2.508 3532 F HA 0.780 5.307 4.527 0.001 0.000 0.325 3532 F C -0.581 175.218 175.800 -0.001 0.000 1.090 3532 F CA -0.979 56.957 58.000 -0.107 0.000 0.945 3532 F CB 1.629 40.566 39.000 -0.106 0.000 1.156 3532 F HN 0.643 nan 8.300 nan 0.000 0.463 3533 N N 1.577 120.399 118.700 0.204 0.000 2.354 3533 N HA 0.188 4.929 4.740 0.001 0.000 0.287 3533 N C 0.234 175.910 175.510 0.278 0.000 1.016 3533 N CA -0.117 53.069 53.050 0.226 0.000 0.871 3533 N CB 2.160 40.744 38.487 0.161 0.000 1.299 3533 N HN 0.924 nan 8.380 nan 0.000 0.482 3534 T N -0.863 113.877 114.554 0.311 0.000 3.129 3534 T HA 0.122 4.472 4.350 0.001 0.000 0.251 3534 T C 0.269 175.096 174.700 0.212 0.000 1.117 3534 T CA -0.170 62.092 62.100 0.270 0.000 1.034 3534 T CB -0.303 68.739 68.868 0.289 0.000 0.968 3534 T HN 0.283 nan 8.240 nan 0.000 0.526 3535 S N 2.316 118.135 115.700 0.197 0.000 2.546 3535 S HA 0.198 4.668 4.470 0.001 0.000 0.290 3535 S C 1.117 175.802 174.600 0.143 0.000 1.262 3535 S CA -0.231 58.062 58.200 0.154 0.000 1.083 3535 S CB 0.275 63.560 63.200 0.141 0.000 0.859 3535 S HN 0.462 nan 8.310 nan 0.000 0.495 3536 M N 2.069 121.707 119.600 0.063 0.000 2.595 3536 M HA 0.026 4.507 4.480 0.001 0.000 0.248 3536 M C 0.908 177.182 176.300 -0.044 0.000 1.119 3536 M CA 0.334 55.598 55.300 -0.060 0.000 1.079 3536 M CB -0.448 31.977 32.600 -0.291 0.000 1.472 3536 M HN 0.768 nan 8.290 nan 0.000 0.501 3537 T N -4.183 110.385 114.554 0.022 0.000 2.816 3537 T HA 0.655 5.005 4.350 0.001 0.000 0.299 3537 T C 0.531 175.224 174.700 -0.011 0.000 1.230 3537 T CA -0.063 62.043 62.100 0.010 0.000 1.007 3537 T CB 1.955 70.795 68.868 -0.047 0.000 1.289 3537 T HN 0.272 nan 8.240 nan 0.000 0.508 3538 G N 0.496 109.205 108.800 -0.150 0.000 2.132 3538 G HA2 -0.306 3.654 3.960 0.001 0.000 0.234 3538 G HA3 -0.306 3.654 3.960 0.001 0.000 0.234 3538 G C 0.493 175.289 174.900 -0.173 0.000 0.989 3538 G CA 0.872 45.862 45.100 -0.184 0.000 0.676 3538 G HN 1.518 nan 8.290 nan 0.000 0.522 3539 Y N -1.016 119.276 120.300 -0.014 0.000 2.151 3539 Y HA -0.169 4.381 4.550 0.001 0.000 0.284 3539 Y C 2.508 178.378 175.900 -0.050 0.000 1.166 3539 Y CA 2.095 60.180 58.100 -0.025 0.000 1.163 3539 Y CB -0.793 37.655 38.460 -0.019 0.000 0.974 3539 Y HN 0.459 nan 8.280 nan 0.000 0.511 3540 Q N 0.675 120.303 119.800 -0.286 0.000 2.050 3540 Q HA -0.242 4.099 4.340 0.001 0.000 0.202 3540 Q C 1.882 177.838 176.000 -0.074 0.000 0.980 3540 Q CA 2.210 57.915 55.803 -0.162 0.000 0.840 3540 Q CB -0.067 28.459 28.738 -0.354 0.000 0.898 3540 Q HN 0.644 nan 8.270 nan 0.000 0.424 3541 E N 0.497 120.633 120.200 -0.107 0.000 2.085 3541 E HA -0.172 4.179 4.350 0.001 0.000 0.194 3541 E C 1.872 178.518 176.600 0.076 0.000 0.994 3541 E CA 1.422 57.812 56.400 -0.016 0.000 0.801 3541 E CB -0.133 29.547 29.700 -0.034 0.000 0.743 3541 E HN 0.421 nan 8.360 nan 0.000 0.453 3542 I N 0.307 120.922 120.570 0.075 0.000 2.142 3542 I HA -0.288 3.883 4.170 0.001 0.000 0.240 3542 I C 2.089 178.264 176.117 0.096 0.000 1.078 3542 I CA 1.059 62.437 61.300 0.131 0.000 1.343 3542 I CB -0.177 37.851 38.000 0.048 0.000 1.046 3542 I HN 0.106 nan 8.210 nan 0.000 0.405 3543 L N 0.114 121.365 121.223 0.046 0.000 2.191 3543 L HA -0.184 4.157 4.340 0.001 0.000 0.212 3543 L C 2.198 179.163 176.870 0.159 0.000 1.103 3543 L CA 1.727 56.601 54.840 0.057 0.000 0.769 3543 L CB -0.803 41.306 42.059 0.084 0.000 0.908 3543 L HN 0.445 nan 8.230 nan 0.000 0.438 3544 T N -4.749 109.914 114.554 0.182 0.000 3.206 3544 T HA 0.041 4.391 4.350 0.001 0.000 0.253 3544 T C 0.271 175.160 174.700 0.316 0.000 1.042 3544 T CA -0.475 61.770 62.100 0.241 0.000 0.931 3544 T CB -0.288 68.686 68.868 0.178 0.000 1.029 3544 T HN 0.002 nan 8.240 nan 0.000 0.564 3545 D N 2.033 122.626 120.400 0.322 0.000 2.313 3545 D HA 0.303 4.944 4.640 0.001 0.000 0.239 3545 D C -1.734 174.638 176.300 0.121 0.000 1.142 3545 D CA -2.691 51.452 54.000 0.238 0.000 0.847 3545 D CB 1.984 42.966 40.800 0.304 0.000 1.082 3545 D HN -0.058 nan 8.370 nan 0.000 0.480 3546 P HA -0.122 nan 4.420 nan 0.000 0.218 3546 P C 1.142 178.298 177.300 -0.240 0.000 1.146 3546 P CA 0.885 63.590 63.100 -0.658 0.000 0.813 3546 P CB 0.272 31.623 31.700 -0.582 0.000 0.778 3547 S N -2.175 113.434 115.700 -0.151 0.000 2.442 3547 S HA -0.148 4.323 4.470 0.001 0.000 0.236 3547 S C 1.020 175.505 174.600 -0.193 0.000 1.007 3547 S CA 0.980 59.069 58.200 -0.185 0.000 0.965 3547 S CB -0.940 62.107 63.200 -0.255 0.000 0.773 3547 S HN 0.262 nan 8.310 nan 0.000 0.504 3548 Y N 1.515 121.856 120.300 0.068 0.000 2.470 3548 Y HA 0.338 4.889 4.550 0.001 0.000 0.284 3548 Y C 1.209 177.176 175.900 0.112 0.000 1.188 3548 Y CA -0.745 57.410 58.100 0.092 0.000 1.269 3548 Y CB -0.330 38.186 38.460 0.093 0.000 1.094 3548 Y HN 0.048 nan 8.280 nan 0.000 0.518 3549 S N 1.609 117.447 115.700 0.230 0.000 2.546 3549 S HA 0.047 4.518 4.470 0.001 0.000 0.290 3549 S C 0.872 175.591 174.600 0.197 0.000 1.290 3549 S CA -0.189 58.149 58.200 0.230 0.000 1.069 3549 S CB 0.070 63.389 63.200 0.198 0.000 0.846 3549 S HN 0.604 nan 8.310 nan 0.000 0.495 3550 R N 1.252 121.858 120.500 0.177 0.000 3.951 3550 R HA -0.147 4.194 4.340 0.001 0.000 0.352 3550 R C -0.645 175.696 176.300 0.069 0.000 1.178 3550 R CA 1.014 57.205 56.100 0.152 0.000 0.949 3550 R CB -2.576 27.899 30.300 0.292 0.000 1.452 3550 R HN 0.824 nan 8.270 nan 0.000 0.540 3551 Q N 0.269 120.124 119.800 0.091 0.000 2.365 3551 Q HA 0.632 4.973 4.340 0.001 0.000 0.269 3551 Q C -0.173 175.825 176.000 -0.003 0.000 1.061 3551 Q CA -0.818 55.018 55.803 0.055 0.000 0.816 3551 Q CB 2.176 31.014 28.738 0.166 0.000 1.325 3551 Q HN 0.125 nan 8.270 nan 0.000 0.446 3552 I N 2.453 122.981 120.570 -0.071 0.000 2.297 3552 I HA 0.206 4.377 4.170 0.001 0.000 0.291 3552 I C -0.595 175.453 176.117 -0.115 0.000 1.033 3552 I CA -0.751 60.490 61.300 -0.098 0.000 1.253 3552 I CB 1.143 39.070 38.000 -0.121 0.000 1.396 3552 I HN 0.266 nan 8.210 nan 0.000 0.476 3553 V N 5.776 125.602 119.914 -0.147 0.000 2.406 3553 V HA 0.223 4.344 4.120 0.001 0.000 0.272 3553 V C 0.410 176.414 176.094 -0.150 0.000 1.043 3553 V CA -0.301 61.879 62.300 -0.200 0.000 0.915 3553 V CB 1.002 32.614 31.823 -0.350 0.000 0.988 3553 V HN 0.683 nan 8.190 nan 0.000 0.466 3554 T N 6.889 121.373 114.554 -0.116 0.000 2.795 3554 T HA 0.625 4.975 4.350 0.001 0.000 0.282 3554 T C -0.247 174.431 174.700 -0.036 0.000 0.980 3554 T CA -0.350 61.694 62.100 -0.094 0.000 1.012 3554 T CB 0.982 69.792 68.868 -0.097 0.000 0.936 3554 T HN 0.355 nan 8.240 nan 0.000 0.457 3555 L N 3.203 124.400 121.223 -0.043 0.000 2.282 3555 L HA 0.324 4.664 4.340 0.001 0.000 0.288 3555 L C 1.955 178.829 176.870 0.007 0.000 1.033 3555 L CA -0.718 54.132 54.840 0.016 0.000 0.807 3555 L CB 1.452 43.526 42.059 0.025 0.000 1.209 3555 L HN 0.859 nan 8.230 nan 0.000 0.423 3556 T N -0.490 114.105 114.554 0.067 0.000 2.904 3556 T HA -0.163 4.188 4.350 0.001 0.000 0.267 3556 T C 0.627 175.344 174.700 0.028 0.000 1.059 3556 T CA 0.567 62.679 62.100 0.021 0.000 1.137 3556 T CB -0.233 68.668 68.868 0.055 0.000 0.879 3556 T HN 0.322 nan 8.240 nan 0.000 0.467 3557 Y N 5.212 125.517 120.300 0.008 0.000 2.496 3557 Y HA 0.256 4.806 4.550 0.001 0.000 0.334 3557 Y C -1.467 174.410 175.900 -0.038 0.000 1.080 3557 Y CA -3.165 54.940 58.100 0.009 0.000 1.355 3557 Y CB 0.929 39.422 38.460 0.056 0.000 1.193 3557 Y HN -0.029 nan 8.280 nan 0.000 0.523 3558 P HA -0.207 nan 4.420 nan 0.000 0.215 3558 P C -0.293 176.549 177.300 -0.763 0.000 1.157 3558 P CA 1.670 64.314 63.100 -0.761 0.000 0.874 3558 P CB 0.113 31.393 31.700 -0.699 0.000 0.790 3559 H N 0.256 118.869 119.070 -0.761 0.000 2.690 3559 H HA 0.258 4.815 4.556 0.001 0.000 0.289 3559 H C 0.126 175.407 175.328 -0.079 0.000 1.089 3559 H CA -0.406 55.483 56.048 -0.264 0.000 1.299 3559 H CB 0.510 30.225 29.762 -0.078 0.000 1.405 3559 H HN 0.052 nan 8.280 nan 0.000 0.463 3560 I N 1.662 122.183 120.570 -0.081 0.000 2.362 3560 I HA 0.229 4.399 4.170 0.001 0.000 0.289 3560 I C 1.217 177.032 176.117 -0.504 0.000 0.994 3560 I CA -0.110 61.012 61.300 -0.296 0.000 1.158 3560 I CB 1.273 39.090 38.000 -0.305 0.000 1.315 3560 I HN 0.924 nan 8.210 nan 0.000 0.451 3561 G N 5.197 113.514 108.800 -0.805 0.000 2.205 3561 G HA2 -0.229 3.732 3.960 0.001 0.000 0.180 3561 G HA3 -0.229 3.732 3.960 0.001 0.000 0.180 3561 G C 0.778 175.677 174.900 -0.002 0.000 1.004 3561 G CA -0.314 44.508 45.100 -0.464 0.000 0.670 3561 G HN 0.470 nan 8.290 nan 0.000 0.496 3562 N N 0.326 119.087 118.700 0.103 0.000 2.258 3562 N HA -0.095 4.645 4.740 0.001 0.000 0.187 3562 N C 2.243 177.827 175.510 0.124 0.000 1.012 3562 N CA 2.077 55.199 53.050 0.120 0.000 0.870 3562 N CB -0.108 38.468 38.487 0.148 0.000 0.977 3562 N HN 1.133 nan 8.380 nan 0.000 0.434 3563 V N -4.114 115.920 119.914 0.200 0.000 3.214 3563 V HA 0.569 4.689 4.120 0.001 0.000 0.330 3563 V C 1.135 177.268 176.094 0.066 0.000 1.403 3563 V CA 0.062 62.419 62.300 0.095 0.000 1.143 3563 V CB -0.218 31.616 31.823 0.020 0.000 1.098 3563 V HN 0.281 nan 8.190 nan 0.000 0.463 3564 G N 1.657 110.529 108.800 0.120 0.000 2.547 3564 G HA2 -0.116 3.844 3.960 0.001 0.000 0.271 3564 G HA3 -0.116 3.844 3.960 0.001 0.000 0.271 3564 G C 0.164 175.072 174.900 0.013 0.000 1.209 3564 G CA 1.055 46.189 45.100 0.057 0.000 0.959 3564 G HN 1.929 nan 8.290 nan 0.000 0.563 3565 T N -2.375 112.119 114.554 -0.100 0.000 2.769 3565 T HA 0.695 5.046 4.350 0.001 0.000 0.306 3565 T C -0.781 173.809 174.700 -0.183 0.000 1.400 3565 T CA 0.172 62.122 62.100 -0.249 0.000 1.007 3565 T CB 1.966 70.494 68.868 -0.566 0.000 1.392 3565 T HN 2.416 nan 8.240 nan 0.000 0.500 3566 N N -1.354 117.228 118.700 -0.196 0.000 2.859 3566 N HA 0.384 5.125 4.740 0.001 0.000 0.250 3566 N C -0.460 175.016 175.510 -0.057 0.000 1.341 3566 N CA -0.842 52.150 53.050 -0.097 0.000 0.881 3566 N CB 0.747 39.167 38.487 -0.112 0.000 1.516 3566 N HN 0.370 nan 8.380 nan 0.000 0.503 3567 D N 0.414 120.826 120.400 0.019 0.000 2.144 3567 D HA -0.121 4.519 4.640 0.001 0.000 0.199 3567 D C 1.845 178.163 176.300 0.031 0.000 0.984 3567 D CA 1.888 55.924 54.000 0.060 0.000 0.834 3567 D CB -0.623 40.229 40.800 0.088 0.000 0.955 3567 D HN 0.703 nan 8.370 nan 0.000 0.465 3568 A N 1.128 123.950 122.820 0.003 0.000 2.076 3568 A HA -0.173 4.147 4.320 0.001 0.000 0.220 3568 A C 1.192 178.708 177.584 -0.114 0.000 1.160 3568 A CA 1.396 53.419 52.037 -0.022 0.000 0.653 3568 A CB -0.218 18.734 19.000 -0.080 0.000 0.801 3568 A HN 0.041 nan 8.150 nan 0.000 0.455 3569 D N 0.480 120.791 120.400 -0.147 0.000 2.336 3569 D HA 0.112 4.753 4.640 0.001 0.000 0.228 3569 D C -0.126 176.125 176.300 -0.082 0.000 1.120 3569 D CA 0.152 54.047 54.000 -0.176 0.000 0.839 3569 D CB 0.029 40.665 40.800 -0.273 0.000 0.932 3569 D HN 0.603 nan 8.370 nan 0.000 0.509 3570 E N 0.718 120.920 120.200 0.003 0.000 2.216 3570 E HA 0.152 4.503 4.350 0.001 0.000 0.279 3570 E C 0.580 177.236 176.600 0.093 0.000 0.997 3570 E CA -0.384 56.059 56.400 0.071 0.000 0.817 3570 E CB 1.581 31.363 29.700 0.136 0.000 1.096 3570 E HN -0.100 nan 8.360 nan 0.000 0.393 3571 E N 1.035 121.300 120.200 0.108 0.000 2.465 3571 E HA 0.044 4.395 4.350 0.001 0.000 0.191 3571 E C -0.075 176.611 176.600 0.143 0.000 1.053 3571 E CA 0.145 56.611 56.400 0.110 0.000 0.869 3571 E CB 0.373 30.131 29.700 0.096 0.000 0.977 3571 E HN 0.526 nan 8.360 nan 0.000 0.483 3572 S N -2.127 113.685 115.700 0.187 0.000 2.656 3572 S HA 0.107 4.578 4.470 0.001 0.000 0.265 3572 S C 0.832 175.564 174.600 0.221 0.000 1.132 3572 S CA -0.073 58.262 58.200 0.226 0.000 0.819 3572 S CB 0.682 64.064 63.200 0.304 0.000 1.119 3572 S HN -0.072 nan 8.310 nan 0.000 0.476 3573 S N 0.170 115.999 115.700 0.216 0.000 2.442 3573 S HA 0.048 4.519 4.470 0.001 0.000 0.236 3573 S C 0.714 175.400 174.600 0.144 0.000 1.007 3573 S CA 1.172 59.469 58.200 0.162 0.000 0.965 3573 S CB -0.953 62.323 63.200 0.127 0.000 0.773 3573 S HN 1.126 nan 8.310 nan 0.000 0.504 3574 Q N -1.124 118.751 119.800 0.125 0.000 2.737 3574 Q HA 0.580 4.920 4.340 0.001 0.000 0.307 3574 Q C -1.736 174.240 176.000 -0.040 0.000 0.905 3574 Q CA -1.135 54.705 55.803 0.061 0.000 0.753 3574 Q CB 1.347 30.044 28.738 -0.069 0.000 1.463 3574 Q HN -0.039 nan 8.270 nan 0.000 0.455 3575 V N 2.561 122.449 119.914 -0.044 0.000 2.439 3575 V HA 0.065 4.185 4.120 0.001 0.000 0.271 3575 V C 0.574 176.600 176.094 -0.114 0.000 1.040 3575 V CA 0.148 62.414 62.300 -0.056 0.000 1.002 3575 V CB 0.215 31.976 31.823 -0.104 0.000 1.000 3575 V HN 0.746 nan 8.190 nan 0.000 0.477 3576 H N 3.004 122.142 119.070 0.112 0.000 2.592 3576 H HA 0.294 4.850 4.556 0.001 0.000 0.265 3576 H C 1.288 176.690 175.328 0.123 0.000 0.955 3576 H CA 0.530 56.653 56.048 0.125 0.000 1.175 3576 H CB 0.664 30.518 29.762 0.152 0.000 1.433 3576 H HN 0.692 nan 8.280 nan 0.000 0.537 3577 A N 1.543 124.485 122.820 0.203 0.000 2.511 3577 A HA -0.041 4.280 4.320 0.001 0.000 0.242 3577 A C 1.522 179.144 177.584 0.063 0.000 1.069 3577 A CA -0.064 52.041 52.037 0.114 0.000 0.763 3577 A CB 0.580 19.578 19.000 -0.003 0.000 1.001 3577 A HN 0.212 nan 8.150 nan 0.000 0.498 3578 Q N 1.285 121.112 119.800 0.045 0.000 2.172 3578 Q HA 0.199 4.539 4.340 0.001 0.000 0.200 3578 Q C 0.705 176.693 176.000 -0.020 0.000 0.964 3578 Q CA 1.749 57.558 55.803 0.009 0.000 0.855 3578 Q CB -0.038 28.687 28.738 -0.021 0.000 0.918 3578 Q HN 1.124 nan 8.270 nan 0.000 0.444 3579 G N -1.048 107.730 108.800 -0.037 0.000 2.576 3579 G HA2 0.471 4.432 3.960 0.001 0.000 0.290 3579 G HA3 0.471 4.432 3.960 0.001 0.000 0.290 3579 G C -2.365 172.493 174.900 -0.070 0.000 1.442 3579 G CA -0.522 44.548 45.100 -0.050 0.000 0.792 3579 G HN 0.127 nan 8.290 nan 0.000 0.491 3580 L N 0.493 121.674 121.223 -0.070 0.000 2.409 3580 L HA 0.817 5.157 4.340 0.001 0.000 0.272 3580 L C -1.052 175.761 176.870 -0.095 0.000 0.980 3580 L CA -0.775 54.014 54.840 -0.085 0.000 0.826 3580 L CB 2.200 44.221 42.059 -0.063 0.000 1.268 3580 L HN 0.439 nan 8.230 nan 0.000 0.407 3581 V N 6.498 126.341 119.914 -0.117 0.000 2.409 3581 V HA 0.607 4.727 4.120 0.001 0.000 0.291 3581 V C 0.026 176.038 176.094 -0.138 0.000 1.020 3581 V CA -0.400 61.818 62.300 -0.137 0.000 0.848 3581 V CB 1.280 32.994 31.823 -0.181 0.000 0.990 3581 V HN 0.788 nan 8.190 nan 0.000 0.430 3582 I N 1.810 122.298 120.570 -0.136 0.000 3.174 3582 I HA 0.742 4.913 4.170 0.001 0.000 0.313 3582 I C 0.685 176.708 176.117 -0.157 0.000 1.155 3582 I CA -1.033 60.179 61.300 -0.147 0.000 0.977 3582 I CB 2.400 40.311 38.000 -0.148 0.000 1.248 3582 I HN 0.419 nan 8.210 nan 0.000 0.453 3583 R N 1.292 121.678 120.500 -0.191 0.000 2.090 3583 R HA 0.261 4.601 4.340 0.001 0.000 0.219 3583 R C -0.182 175.999 176.300 -0.198 0.000 1.100 3583 R CA 1.366 57.349 56.100 -0.196 0.000 0.991 3583 R CB 0.074 30.226 30.300 -0.247 0.000 0.893 3583 R HN 0.871 nan 8.270 nan 0.000 0.443 3584 D N -0.296 119.960 120.400 -0.239 0.000 2.990 3584 D HA 0.133 4.774 4.640 0.001 0.000 0.227 3584 D C -1.658 174.572 176.300 -0.116 0.000 1.249 3584 D CA -0.677 53.211 54.000 -0.187 0.000 0.891 3584 D CB 1.597 42.219 40.800 -0.296 0.000 1.647 3584 D HN 0.066 nan 8.370 nan 0.000 0.530 3585 L N 5.486 126.671 121.223 -0.063 0.000 2.257 3585 L HA 0.490 4.830 4.340 0.001 0.000 0.290 3585 L C -2.264 174.611 176.870 0.008 0.000 1.044 3585 L CA -1.207 53.605 54.840 -0.046 0.000 0.810 3585 L CB 1.098 43.126 42.059 -0.051 0.000 1.193 3585 L HN 0.199 nan 8.230 nan 0.000 0.425 3586 P HA 0.005 nan 4.420 nan 0.000 0.272 3586 P C 0.755 178.064 177.300 0.015 0.000 1.223 3586 P CA -0.460 62.666 63.100 0.043 0.000 0.784 3586 P CB 0.931 32.645 31.700 0.023 0.000 0.923 3587 L N 1.594 122.825 121.223 0.015 0.000 2.013 3587 L HA -0.086 4.254 4.340 0.001 0.000 0.212 3587 L C 1.447 178.323 176.870 0.010 0.000 1.073 3587 L CA 1.878 56.724 54.840 0.010 0.000 0.753 3587 L CB -1.022 41.042 42.059 0.008 0.000 0.890 3587 L HN 0.526 nan 8.230 nan 0.000 0.432 3588 I N -5.069 115.506 120.570 0.009 0.000 3.042 3588 I HA 0.734 4.905 4.170 0.001 0.000 0.310 3588 I C -0.508 175.620 176.117 0.018 0.000 1.117 3588 I CA -1.178 60.130 61.300 0.014 0.000 1.003 3588 I CB 1.988 39.997 38.000 0.016 0.000 1.228 3588 I HN -0.196 nan 8.210 nan 0.000 0.443 3589 A N 2.099 124.934 122.820 0.025 0.000 2.306 3589 A HA 0.726 5.046 4.320 0.001 0.000 0.314 3589 A C -0.239 177.366 177.584 0.034 0.000 1.164 3589 A CA -0.475 51.583 52.037 0.034 0.000 0.822 3589 A CB 1.088 20.109 19.000 0.035 0.000 1.130 3589 A HN 0.719 nan 8.150 nan 0.000 0.496 3590 S N 2.603 118.328 115.700 0.041 0.000 2.524 3590 S HA 0.520 4.991 4.470 0.001 0.000 0.227 3590 S C -1.121 173.515 174.600 0.060 0.000 1.304 3590 S CA -0.664 57.564 58.200 0.046 0.000 1.185 3590 S CB -0.290 62.934 63.200 0.040 0.000 1.104 3590 S HN 0.860 nan 8.310 nan 0.000 0.475 3591 N N 3.166 121.903 118.700 0.062 0.000 2.827 3591 N HA 0.057 4.797 4.740 0.001 0.000 0.248 3591 N C 0.423 175.961 175.510 0.047 0.000 1.074 3591 N CA -0.479 52.617 53.050 0.076 0.000 1.042 3591 N CB 0.532 39.017 38.487 -0.005 0.000 1.684 3591 N HN 0.414 nan 8.380 nan 0.000 0.542 3592 F N 3.409 123.380 119.950 0.036 0.000 2.287 3592 F HA 0.005 4.533 4.527 0.001 0.000 0.301 3592 F C 1.557 177.387 175.800 0.049 0.000 1.069 3592 F CA 1.038 59.064 58.000 0.043 0.000 1.372 3592 F CB -0.236 38.792 39.000 0.048 0.000 1.056 3592 F HN 0.418 nan 8.300 nan 0.000 0.523 3593 R N 0.340 120.361 120.500 -0.799 0.000 2.246 3593 R HA 0.018 4.358 4.340 0.001 0.000 0.199 3593 R C 0.391 176.534 176.300 -0.261 0.000 0.984 3593 R CA 0.259 55.989 56.100 -0.617 0.000 1.015 3593 R CB -0.534 29.327 30.300 -0.731 0.000 0.930 3593 R HN 0.285 nan 8.270 nan 0.000 0.475 3594 N N 1.169 119.763 118.700 -0.178 0.000 2.412 3594 N HA -0.079 4.662 4.740 0.001 0.000 0.258 3594 N C 0.621 176.105 175.510 -0.044 0.000 1.236 3594 N CA 0.696 53.692 53.050 -0.090 0.000 0.882 3594 N CB 0.959 39.421 38.487 -0.041 0.000 1.066 3594 N HN 0.065 nan 8.380 nan 0.000 0.465 3595 T N -0.122 114.416 114.554 -0.026 0.000 2.975 3595 T HA 0.249 4.600 4.350 0.001 0.000 0.261 3595 T C 0.086 174.811 174.700 0.041 0.000 0.984 3595 T CA -0.390 61.718 62.100 0.013 0.000 0.911 3595 T CB -0.051 68.832 68.868 0.024 0.000 1.127 3595 T HN 0.601 nan 8.240 nan 0.000 0.514 3596 E N 2.073 122.297 120.200 0.041 0.000 2.397 3596 E HA 0.194 4.544 4.350 0.001 0.000 0.293 3596 E C -1.581 175.057 176.600 0.064 0.000 0.930 3596 E CA -0.751 55.696 56.400 0.077 0.000 0.793 3596 E CB 1.414 31.208 29.700 0.157 0.000 1.259 3596 E HN 0.408 nan 8.360 nan 0.000 0.406 3597 D N 4.036 124.475 120.400 0.065 0.000 2.419 3597 D HA -0.084 4.556 4.640 0.001 0.000 0.236 3597 D C 1.170 177.520 176.300 0.082 0.000 1.165 3597 D CA -0.352 53.681 54.000 0.055 0.000 0.882 3597 D CB 1.309 42.136 40.800 0.044 0.000 1.201 3597 D HN 0.418 nan 8.370 nan 0.000 0.443 3598 L N 2.717 123.970 121.223 0.050 0.000 2.013 3598 L HA -0.235 4.105 4.340 0.001 0.000 0.212 3598 L C 2.552 179.485 176.870 0.106 0.000 1.073 3598 L CA 2.214 57.089 54.840 0.058 0.000 0.753 3598 L CB -1.192 40.830 42.059 -0.061 0.000 0.890 3598 L HN 0.669 nan 8.230 nan 0.000 0.432 3599 S N -1.523 114.212 115.700 0.059 0.000 2.356 3599 S HA -0.187 4.283 4.470 0.001 0.000 0.223 3599 S C 2.092 176.743 174.600 0.085 0.000 1.032 3599 S CA 1.602 59.836 58.200 0.056 0.000 1.005 3599 S CB -0.398 62.818 63.200 0.026 0.000 0.867 3599 S HN 0.667 nan 8.310 nan 0.000 0.449 3600 S N 0.121 115.878 115.700 0.095 0.000 2.370 3600 S HA -0.124 4.346 4.470 0.001 0.000 0.226 3600 S C 1.537 176.226 174.600 0.149 0.000 1.033 3600 S CA 1.509 59.769 58.200 0.100 0.000 1.011 3600 S CB -0.710 62.546 63.200 0.092 0.000 0.852 3600 S HN 0.720 nan 8.310 nan 0.000 0.457 3601 Y N 2.284 122.621 120.300 0.062 0.000 2.128 3601 Y HA -0.150 4.401 4.550 0.001 0.000 0.284 3601 Y C 1.951 177.927 175.900 0.127 0.000 1.154 3601 Y CA 1.336 59.496 58.100 0.100 0.000 1.149 3601 Y CB -0.518 37.976 38.460 0.056 0.000 0.976 3601 Y HN 0.132 nan 8.280 nan 0.000 0.505 3602 L N 0.030 121.358 121.223 0.175 0.000 1.989 3602 L HA -0.297 4.044 4.340 0.001 0.000 0.211 3602 L C 2.550 179.439 176.870 0.033 0.000 1.071 3602 L CA 1.954 56.837 54.840 0.071 0.000 0.749 3602 L CB -0.657 41.448 42.059 0.076 0.000 0.890 3602 L HN 0.122 nan 8.230 nan 0.000 0.431 3603 K N -0.088 120.334 120.400 0.037 0.000 2.015 3603 K HA -0.280 4.040 4.320 0.001 0.000 0.216 3603 K C 2.237 178.831 176.600 -0.009 0.000 1.052 3603 K CA 2.081 58.377 56.287 0.015 0.000 0.937 3603 K CB -0.297 32.216 32.500 0.022 0.000 0.719 3603 K HN 0.216 nan 8.250 nan 0.000 0.446 3604 R N 0.310 120.803 120.500 -0.012 0.000 2.139 3604 R HA -0.183 4.157 4.340 0.001 0.000 0.243 3604 R C 1.334 177.524 176.300 -0.184 0.000 1.145 3604 R CA 1.724 57.777 56.100 -0.077 0.000 0.976 3604 R CB -0.268 29.992 30.300 -0.066 0.000 0.866 3604 R HN 0.458 nan 8.270 nan 0.000 0.449 3605 H N 0.084 119.023 119.070 -0.218 0.000 2.539 3605 H HA 0.123 4.680 4.556 0.001 0.000 0.269 3605 H C -0.023 175.229 175.328 -0.128 0.000 0.980 3605 H CA 0.035 55.954 56.048 -0.215 0.000 1.152 3605 H CB 0.254 29.828 29.762 -0.313 0.000 1.407 3605 H HN 0.325 nan 8.280 nan 0.000 0.564 3606 N N 1.079 119.772 118.700 -0.012 0.000 2.758 3606 N HA -0.160 4.581 4.740 0.001 0.000 0.248 3606 N C -0.761 174.751 175.510 0.003 0.000 1.076 3606 N CA 0.375 53.417 53.050 -0.013 0.000 0.696 3606 N CB -0.982 37.488 38.487 -0.027 0.000 0.979 3606 N HN 0.286 nan 8.380 nan 0.000 0.550 3607 I N 0.914 121.492 120.570 0.013 0.000 2.412 3607 I HA 0.288 4.458 4.170 0.001 0.000 0.296 3607 I C 0.977 177.094 176.117 0.000 0.000 0.987 3607 I CA -0.664 60.640 61.300 0.008 0.000 1.180 3607 I CB 1.777 39.784 38.000 0.012 0.000 1.340 3607 I HN -0.263 nan 8.210 nan 0.000 0.455 3608 V N 5.392 125.302 119.914 -0.008 0.000 2.488 3608 V HA 0.608 4.729 4.120 0.001 0.000 0.277 3608 V C 0.482 176.562 176.094 -0.023 0.000 1.046 3608 V CA -0.297 61.994 62.300 -0.014 0.000 0.986 3608 V CB 0.922 32.735 31.823 -0.016 0.000 0.989 3608 V HN 0.910 nan 8.190 nan 0.000 0.475 3609 A N 5.933 128.740 122.820 -0.023 0.000 2.486 3609 A HA 0.877 5.198 4.320 0.001 0.000 0.300 3609 A C -1.092 176.469 177.584 -0.038 0.000 1.048 3609 A CA -0.538 51.478 52.037 -0.035 0.000 0.696 3609 A CB 1.603 20.587 19.000 -0.027 0.000 1.278 3609 A HN 0.864 nan 8.150 nan 0.000 0.405 3610 I N 1.362 121.900 120.570 -0.054 0.000 2.509 3610 I HA 0.802 4.973 4.170 0.001 0.000 0.293 3610 I C -0.005 176.073 176.117 -0.065 0.000 1.020 3610 I CA -0.564 60.707 61.300 -0.050 0.000 1.088 3610 I CB 1.826 39.796 38.000 -0.050 0.000 1.267 3610 I HN 0.921 nan 8.210 nan 0.000 0.430 3611 A N 4.047 126.835 122.820 -0.053 0.000 2.392 3611 A HA 0.611 4.931 4.320 0.001 0.000 0.283 3611 A C -0.474 177.079 177.584 -0.052 0.000 1.197 3611 A CA -0.260 51.736 52.037 -0.067 0.000 0.895 3611 A CB 0.568 19.528 19.000 -0.066 0.000 1.400 3611 A HN 0.829 nan 8.150 nan 0.000 0.461 3612 D N -1.217 119.144 120.400 -0.064 0.000 2.723 3612 D HA -0.172 4.468 4.640 0.001 0.000 0.236 3612 D C -0.235 176.051 176.300 -0.023 0.000 1.138 3612 D CA 1.750 55.722 54.000 -0.047 0.000 0.676 3612 D CB -1.803 38.983 40.800 -0.024 0.000 1.069 3612 D HN 0.855 nan 8.370 nan 0.000 0.430 3613 I N -3.793 116.753 120.570 -0.040 0.000 2.846 3613 I HA 0.490 4.660 4.170 0.001 0.000 0.307 3613 I C 0.077 176.175 176.117 -0.031 0.000 1.053 3613 I CA -1.030 60.272 61.300 0.003 0.000 1.050 3613 I CB 1.842 39.847 38.000 0.009 0.000 1.239 3613 I HN -0.316 nan 8.210 nan 0.000 0.439 3614 D N 3.244 123.667 120.400 0.039 0.000 2.489 3614 D HA 0.052 4.693 4.640 0.001 0.000 0.237 3614 D C 1.339 177.601 176.300 -0.063 0.000 1.212 3614 D CA 0.358 54.364 54.000 0.010 0.000 1.058 3614 D CB 0.488 41.336 40.800 0.080 0.000 1.098 3614 D HN 0.790 nan 8.370 nan 0.000 0.509 3615 T N 0.563 115.029 114.554 -0.146 0.000 2.977 3615 T HA -0.183 4.168 4.350 0.001 0.000 0.271 3615 T C 1.819 176.406 174.700 -0.188 0.000 1.105 3615 T CA 0.674 62.651 62.100 -0.205 0.000 1.116 3615 T CB 0.110 68.867 68.868 -0.184 0.000 0.878 3615 T HN 0.309 nan 8.240 nan 0.000 0.509 3616 R N 1.346 121.763 120.500 -0.138 0.000 2.062 3616 R HA 0.088 4.428 4.340 0.001 0.000 0.226 3616 R C 2.607 178.831 176.300 -0.126 0.000 1.125 3616 R CA 1.151 57.166 56.100 -0.142 0.000 0.966 3616 R CB -0.196 30.041 30.300 -0.105 0.000 0.861 3616 R HN 0.422 nan 8.270 nan 0.000 0.433 3617 K N 0.368 120.742 120.400 -0.044 0.000 2.057 3617 K HA -0.160 4.160 4.320 0.001 0.000 0.207 3617 K C 2.024 178.654 176.600 0.050 0.000 1.049 3617 K CA 1.256 57.562 56.287 0.032 0.000 0.931 3617 K CB -0.144 32.444 32.500 0.147 0.000 0.714 3617 K HN 0.158 nan 8.250 nan 0.000 0.440 3618 L N 1.528 122.736 121.223 -0.026 0.000 2.017 3618 L HA -0.146 4.195 4.340 0.001 0.000 0.208 3618 L C 1.992 178.747 176.870 -0.191 0.000 1.073 3618 L CA 2.086 56.815 54.840 -0.185 0.000 0.745 3618 L CB -1.034 40.666 42.059 -0.598 0.000 0.894 3618 L HN 0.178 nan 8.230 nan 0.000 0.432 3619 T N -0.087 114.283 114.554 -0.306 0.000 2.708 3619 T HA -0.150 4.200 4.350 0.001 0.000 0.266 3619 T C 1.990 176.371 174.700 -0.532 0.000 1.037 3619 T CA 1.383 63.124 62.100 -0.599 0.000 1.146 3619 T CB -0.210 68.216 68.868 -0.736 0.000 0.865 3619 T HN 0.327 nan 8.240 nan 0.000 0.435 3620 R N 0.415 120.721 120.500 -0.324 0.000 2.105 3620 R HA -0.050 4.290 4.340 0.001 0.000 0.239 3620 R C 2.408 178.610 176.300 -0.162 0.000 1.135 3620 R CA 0.998 56.959 56.100 -0.232 0.000 0.967 3620 R CB -0.790 29.427 30.300 -0.139 0.000 0.861 3620 R HN 0.292 nan 8.270 nan 0.000 0.442 3621 L N 1.041 122.201 121.223 -0.104 0.000 2.027 3621 L HA -0.107 4.233 4.340 0.001 0.000 0.206 3621 L C 2.110 178.962 176.870 -0.029 0.000 1.074 3621 L CA 1.555 56.377 54.840 -0.030 0.000 0.745 3621 L CB -0.379 41.711 42.059 0.052 0.000 0.898 3621 L HN 0.068 nan 8.230 nan 0.000 0.433 3622 L N -0.602 120.590 121.223 -0.052 0.000 2.141 3622 L HA -0.145 4.195 4.340 0.001 0.000 0.209 3622 L C 2.778 179.611 176.870 -0.062 0.000 1.094 3622 L CA 1.325 56.174 54.840 0.015 0.000 0.763 3622 L CB -0.588 41.551 42.059 0.133 0.000 0.908 3622 L HN 0.336 nan 8.230 nan 0.000 0.437 3623 R N 0.126 120.475 120.500 -0.251 0.000 2.075 3623 R HA -0.156 4.184 4.340 0.001 0.000 0.232 3623 R C 2.067 178.343 176.300 -0.039 0.000 1.126 3623 R CA 1.311 57.144 56.100 -0.444 0.000 0.963 3623 R CB -0.005 30.000 30.300 -0.491 0.000 0.858 3623 R HN 0.252 nan 8.270 nan 0.000 0.435 3624 E N 0.675 120.860 120.200 -0.024 0.000 2.072 3624 E HA -0.115 4.236 4.350 0.001 0.000 0.190 3624 E C 1.588 178.233 176.600 0.075 0.000 0.982 3624 E CA 1.290 57.713 56.400 0.039 0.000 0.803 3624 E CB 0.139 29.842 29.700 0.005 0.000 0.755 3624 E HN 0.325 nan 8.360 nan 0.000 0.453 3625 K N -0.818 119.622 120.400 0.067 0.000 2.354 3625 K HA 0.217 4.538 4.320 0.001 0.000 0.194 3625 K C 0.427 177.090 176.600 0.105 0.000 1.038 3625 K CA 0.470 56.802 56.287 0.074 0.000 1.052 3625 K CB 1.191 33.722 32.500 0.051 0.000 0.861 3625 K HN 0.182 nan 8.250 nan 0.000 0.535 3626 G N 0.875 109.768 108.800 0.156 0.000 2.663 3626 G HA2 -0.044 3.917 3.960 0.001 0.000 0.686 3626 G HA3 -0.044 3.917 3.960 0.001 0.000 0.686 3626 G C -0.467 174.521 174.900 0.145 0.000 1.288 3626 G CA -0.797 44.424 45.100 0.201 0.000 0.836 3626 G HN 0.273 nan 8.290 nan 0.000 0.584 3627 A N 0.225 123.132 122.820 0.146 0.000 2.547 3627 A HA 0.527 4.847 4.320 0.001 0.000 0.233 3627 A C 0.693 178.320 177.584 0.072 0.000 1.067 3627 A CA 1.446 53.540 52.037 0.094 0.000 0.763 3627 A CB 0.240 19.276 19.000 0.061 0.000 1.007 3627 A HN 0.983 nan 8.150 nan 0.000 0.506 3628 Q N 0.337 120.173 119.800 0.060 0.000 2.456 3628 Q HA 0.287 4.628 4.340 0.001 0.000 0.284 3628 Q C -1.204 174.827 176.000 0.052 0.000 1.061 3628 Q CA -1.102 54.737 55.803 0.062 0.000 0.799 3628 Q CB 1.761 30.535 28.738 0.060 0.000 1.445 3628 Q HN 0.841 nan 8.270 nan 0.000 0.411 3629 N N -0.156 118.588 118.700 0.074 0.000 2.515 3629 N HA 0.643 5.383 4.740 0.001 0.000 0.279 3629 N C -0.444 175.066 175.510 -0.000 0.000 1.164 3629 N CA 0.101 53.180 53.050 0.048 0.000 0.982 3629 N CB 1.564 40.169 38.487 0.197 0.000 1.170 3629 N HN 0.741 nan 8.380 nan 0.000 0.474 3630 G N -1.253 107.500 108.800 -0.079 0.000 2.687 3630 G HA2 0.528 4.488 3.960 0.001 0.000 0.291 3630 G HA3 0.528 4.488 3.960 0.001 0.000 0.291 3630 G C -1.678 173.172 174.900 -0.083 0.000 1.420 3630 G CA -0.369 44.703 45.100 -0.047 0.000 0.796 3630 G HN 0.668 nan 8.290 nan 0.000 0.485 3631 C N 0.122 119.394 119.300 -0.046 0.000 2.783 3631 C HA 0.815 5.275 4.460 0.001 0.000 0.312 3631 C C -0.860 174.105 174.990 -0.040 0.000 1.182 3631 C CA -0.710 58.277 59.018 -0.052 0.000 1.432 3631 C CB 0.124 27.851 27.740 -0.022 0.000 1.933 3631 C HN 0.625 nan 8.230 nan 0.000 0.473 3632 I N 5.478 126.021 120.570 -0.046 0.000 2.404 3632 I HA 0.515 4.686 4.170 0.001 0.000 0.293 3632 I C -0.521 175.581 176.117 -0.024 0.000 0.992 3632 I CA -0.450 60.827 61.300 -0.038 0.000 1.149 3632 I CB 1.596 39.568 38.000 -0.048 0.000 1.315 3632 I HN 0.518 nan 8.210 nan 0.000 0.446 3633 I N 5.392 125.952 120.570 -0.015 0.000 2.436 3633 I HA 0.564 4.735 4.170 0.001 0.000 0.289 3633 I C -0.199 175.918 176.117 -0.001 0.000 1.010 3633 I CA -0.400 60.897 61.300 -0.005 0.000 1.098 3633 I CB 1.966 39.968 38.000 0.004 0.000 1.266 3633 I HN 0.607 nan 8.210 nan 0.000 0.434 3634 A N 4.841 127.661 122.820 -0.000 0.000 2.319 3634 A HA 0.969 5.289 4.320 0.001 0.000 0.310 3634 A C -0.117 177.470 177.584 0.006 0.000 1.152 3634 A CA -0.262 51.777 52.037 0.003 0.000 0.783 3634 A CB 1.170 20.169 19.000 -0.003 0.000 1.184 3634 A HN 0.925 nan 8.150 nan 0.000 0.474 3635 G N 0.738 109.544 108.800 0.011 0.000 2.315 3635 G HA2 0.354 4.315 3.960 0.001 0.000 0.294 3635 G HA3 0.354 4.315 3.960 0.001 0.000 0.294 3635 G C -0.237 174.670 174.900 0.013 0.000 1.300 3635 G CA -0.001 45.105 45.100 0.010 0.000 0.843 3635 G HN 0.344 nan 8.290 nan 0.000 0.527 3636 D N 0.034 120.441 120.400 0.011 0.000 2.160 3636 D HA -0.118 4.522 4.640 0.001 0.000 0.189 3636 D C 0.693 177.001 176.300 0.014 0.000 1.003 3636 D CA 1.698 55.704 54.000 0.010 0.000 0.846 3636 D CB 0.071 40.876 40.800 0.007 0.000 0.949 3636 D HN 0.319 nan 8.370 nan 0.000 0.446 3637 N N 0.403 119.112 118.700 0.015 0.000 2.664 3637 N HA 0.254 4.995 4.740 0.001 0.000 0.257 3637 N C -2.715 172.811 175.510 0.026 0.000 1.108 3637 N CA -0.874 52.188 53.050 0.020 0.000 0.822 3637 N CB 2.158 40.653 38.487 0.014 0.000 1.199 3637 N HN -0.109 nan 8.380 nan 0.000 0.529 3638 P HA 0.033 nan 4.420 nan 0.000 0.267 3638 P C -0.670 176.655 177.300 0.042 0.000 1.209 3638 P CA -0.077 63.045 63.100 0.037 0.000 0.763 3638 P CB 0.563 32.287 31.700 0.040 0.000 0.816 3639 D N 2.606 123.024 120.400 0.030 0.000 2.374 3639 D HA 0.237 4.878 4.640 0.001 0.000 0.240 3639 D C 1.185 177.503 176.300 0.030 0.000 1.229 3639 D CA -0.188 53.829 54.000 0.029 0.000 0.895 3639 D CB 0.457 41.269 40.800 0.021 0.000 1.046 3639 D HN 0.278 nan 8.370 nan 0.000 0.498 3640 A N 3.753 126.598 122.820 0.042 0.000 2.070 3640 A HA -0.015 4.306 4.320 0.001 0.000 0.220 3640 A C 2.037 179.635 177.584 0.023 0.000 1.159 3640 A CA 1.606 53.665 52.037 0.036 0.000 0.656 3640 A CB -0.305 18.733 19.000 0.064 0.000 0.800 3640 A HN 0.609 nan 8.150 nan 0.000 0.453 3641 A N -0.682 122.151 122.820 0.022 0.000 1.935 3641 A HA 0.159 4.480 4.320 0.001 0.000 0.214 3641 A C 2.007 179.602 177.584 0.018 0.000 1.178 3641 A CA 1.338 53.386 52.037 0.018 0.000 0.640 3641 A CB -0.449 18.561 19.000 0.016 0.000 0.825 3641 A HN 0.637 nan 8.150 nan 0.000 0.447 3642 L N 0.073 121.307 121.223 0.019 0.000 2.093 3642 L HA -0.008 4.333 4.340 0.001 0.000 0.208 3642 L C 2.522 179.404 176.870 0.020 0.000 1.085 3642 L CA 2.123 56.974 54.840 0.019 0.000 0.755 3642 L CB -0.995 41.075 42.059 0.018 0.000 0.904 3642 L HN 0.322 nan 8.230 nan 0.000 0.435 3643 A N -0.486 122.344 122.820 0.016 0.000 1.902 3643 A HA -0.210 4.110 4.320 0.001 0.000 0.217 3643 A C 2.270 179.863 177.584 0.016 0.000 1.181 3643 A CA 1.972 54.015 52.037 0.011 0.000 0.623 3643 A CB -1.018 17.984 19.000 0.003 0.000 0.818 3643 A HN 0.505 nan 8.150 nan 0.000 0.443 3644 L N -0.047 121.187 121.223 0.017 0.000 2.056 3644 L HA -0.114 4.227 4.340 0.001 0.000 0.207 3644 L C 2.255 179.143 176.870 0.031 0.000 1.078 3644 L CA 2.649 57.502 54.840 0.022 0.000 0.749 3644 L CB -0.571 41.498 42.059 0.017 0.000 0.901 3644 L HN 0.603 nan 8.230 nan 0.000 0.433 3645 E N -0.288 119.929 120.200 0.029 0.000 2.038 3645 E HA -0.278 4.073 4.350 0.001 0.000 0.195 3645 E C 2.126 178.756 176.600 0.049 0.000 1.000 3645 E CA 1.744 58.165 56.400 0.035 0.000 0.803 3645 E CB -0.093 29.625 29.700 0.030 0.000 0.750 3645 E HN 0.493 nan 8.360 nan 0.000 0.448 3646 K N 0.087 120.515 120.400 0.048 0.000 2.063 3646 K HA -0.183 4.138 4.320 0.001 0.000 0.208 3646 K C 2.222 178.876 176.600 0.091 0.000 1.048 3646 K CA 1.135 57.462 56.287 0.065 0.000 0.928 3646 K CB -0.235 32.292 32.500 0.045 0.000 0.713 3646 K HN 0.189 nan 8.250 nan 0.000 0.442 3647 A N 1.898 124.756 122.820 0.063 0.000 1.877 3647 A HA -0.172 4.148 4.320 0.001 0.000 0.216 3647 A C 2.059 179.711 177.584 0.114 0.000 1.186 3647 A CA 1.319 53.399 52.037 0.072 0.000 0.620 3647 A CB -0.389 18.636 19.000 0.041 0.000 0.822 3647 A HN 0.242 nan 8.150 nan 0.000 0.443 3648 R N -0.558 119.993 120.500 0.084 0.000 2.189 3648 R HA 0.069 4.410 4.340 0.001 0.000 0.218 3648 R C 2.094 178.448 176.300 0.090 0.000 1.074 3648 R CA 0.874 57.022 56.100 0.080 0.000 0.991 3648 R CB -0.298 30.034 30.300 0.053 0.000 0.883 3648 R HN 0.493 nan 8.270 nan 0.000 0.457 3649 A N 0.998 123.879 122.820 0.103 0.000 2.123 3649 A HA -0.013 4.307 4.320 0.001 0.000 0.214 3649 A C 0.549 178.205 177.584 0.119 0.000 1.152 3649 A CA -0.251 51.840 52.037 0.090 0.000 0.728 3649 A CB -0.188 18.858 19.000 0.077 0.000 0.814 3649 A HN 0.221 nan 8.150 nan 0.000 0.464 3650 F N 1.852 121.815 119.950 0.022 0.000 2.602 3650 F HA 0.191 4.719 4.527 0.001 0.000 0.385 3650 F C -1.106 174.711 175.800 0.027 0.000 1.063 3650 F CA -1.920 56.095 58.000 0.026 0.000 1.233 3650 F CB 0.779 39.796 39.000 0.028 0.000 1.067 3650 F HN 0.046 nan 8.300 nan 0.000 0.564 3651 P HA 0.103 nan 4.420 nan 0.000 0.217 3651 P C 0.154 177.178 177.300 -0.461 0.000 1.150 3651 P CA 1.487 64.308 63.100 -0.466 0.000 0.832 3651 P CB -0.224 31.226 31.700 -0.418 0.000 0.787 3652 G N -1.260 107.030 108.800 -0.850 0.000 2.650 3652 G HA2 -0.120 3.840 3.960 0.001 0.000 0.686 3652 G HA3 -0.120 3.840 3.960 0.001 0.000 0.686 3652 G C -0.133 174.725 174.900 -0.071 0.000 1.205 3652 G CA -0.603 44.396 45.100 -0.169 0.000 0.781 3652 G HN 0.072 nan 8.290 nan 0.000 0.648 3653 L N 1.233 122.557 121.223 0.169 0.000 2.217 3653 L HA 0.137 4.477 4.340 0.001 0.000 0.211 3653 L C 1.824 178.854 176.870 0.266 0.000 1.107 3653 L CA 0.949 55.926 54.840 0.230 0.000 0.783 3653 L CB -0.821 41.434 42.059 0.328 0.000 0.919 3653 L HN 0.708 nan 8.230 nan 0.000 0.442 3654 N N 0.034 118.876 118.700 0.237 0.000 2.414 3654 N HA 0.163 4.904 4.740 0.001 0.000 0.268 3654 N C 1.117 176.698 175.510 0.117 0.000 1.286 3654 N CA 0.692 53.898 53.050 0.261 0.000 0.896 3654 N CB 0.139 38.707 38.487 0.135 0.000 1.093 3654 N HN 0.379 nan 8.380 nan 0.000 0.480 3655 G N 3.283 112.126 108.800 0.072 0.000 2.159 3655 G HA2 -0.303 3.658 3.960 0.001 0.000 0.256 3655 G HA3 -0.303 3.658 3.960 0.001 0.000 0.256 3655 G C 0.089 174.965 174.900 -0.041 0.000 0.977 3655 G CA 0.086 45.177 45.100 -0.016 0.000 0.652 3655 G HN 0.597 nan 8.290 nan 0.000 0.531 3656 M N 1.829 121.413 119.600 -0.026 0.000 2.061 3656 M HA 0.422 4.903 4.480 0.001 0.000 0.346 3656 M C -0.624 175.645 176.300 -0.052 0.000 1.112 3656 M CA -0.765 54.517 55.300 -0.029 0.000 1.021 3656 M CB 0.779 33.376 32.600 -0.004 0.000 1.530 3656 M HN 0.106 nan 8.290 nan 0.000 0.437 3657 D N 5.182 125.556 120.400 -0.044 0.000 2.325 3657 D HA 0.163 4.804 4.640 0.001 0.000 0.251 3657 D C 0.088 176.398 176.300 0.016 0.000 1.196 3657 D CA 0.078 54.056 54.000 -0.037 0.000 0.866 3657 D CB 0.760 41.569 40.800 0.014 0.000 1.101 3657 D HN 0.779 nan 8.370 nan 0.000 0.476 3658 L N 3.265 124.498 121.223 0.015 0.000 2.701 3658 L HA 0.221 4.562 4.340 0.001 0.000 0.238 3658 L C 2.256 179.174 176.870 0.079 0.000 1.106 3658 L CA 0.075 54.949 54.840 0.058 0.000 0.898 3658 L CB 0.065 42.166 42.059 0.070 0.000 1.188 3658 L HN 0.462 nan 8.230 nan 0.000 0.508 3659 A N 1.955 124.820 122.820 0.075 0.000 1.883 3659 A HA -0.259 4.061 4.320 0.001 0.000 0.217 3659 A C 2.274 179.978 177.584 0.200 0.000 1.186 3659 A CA 2.290 54.420 52.037 0.155 0.000 0.624 3659 A CB -0.403 18.693 19.000 0.160 0.000 0.822 3659 A HN 0.523 nan 8.150 nan 0.000 0.444 3660 K N -0.759 119.757 120.400 0.194 0.000 2.209 3660 K HA -0.120 4.201 4.320 0.001 0.000 0.204 3660 K C 1.163 177.814 176.600 0.085 0.000 1.048 3660 K CA 1.455 57.812 56.287 0.116 0.000 0.940 3660 K CB -0.163 32.368 32.500 0.053 0.000 0.729 3660 K HN 0.392 nan 8.250 nan 0.000 0.451 3661 E N 1.227 121.483 120.200 0.094 0.000 2.216 3661 E HA -0.082 4.269 4.350 0.001 0.000 0.192 3661 E C 2.110 178.774 176.600 0.107 0.000 0.988 3661 E CA 1.429 57.883 56.400 0.089 0.000 0.834 3661 E CB 0.229 29.986 29.700 0.094 0.000 0.772 3661 E HN 0.478 nan 8.360 nan 0.000 0.479 3662 V N -2.047 117.937 119.914 0.117 0.000 3.661 3662 V HA 0.161 4.282 4.120 0.001 0.000 0.271 3662 V C 1.317 177.484 176.094 0.122 0.000 1.315 3662 V CA -0.079 62.300 62.300 0.131 0.000 1.072 3662 V CB 0.008 31.892 31.823 0.102 0.000 0.830 3662 V HN -0.062 nan 8.190 nan 0.000 0.443 3663 T N 1.826 116.450 114.554 0.118 0.000 2.856 3663 T HA 0.116 4.467 4.350 0.001 0.000 0.329 3663 T C 0.500 175.260 174.700 0.100 0.000 1.094 3663 T CA 1.320 63.486 62.100 0.110 0.000 1.112 3663 T CB 0.581 69.518 68.868 0.115 0.000 1.009 3663 T HN 0.738 nan 8.240 nan 0.000 0.550 3664 T N 1.535 116.159 114.554 0.116 0.000 2.860 3664 T HA 0.486 4.837 4.350 0.001 0.000 0.299 3664 T C 1.213 175.964 174.700 0.085 0.000 1.045 3664 T CA -0.094 62.081 62.100 0.125 0.000 1.071 3664 T CB 0.369 69.394 68.868 0.263 0.000 0.985 3664 T HN 0.703 nan 8.240 nan 0.000 0.537 3665 A N 3.050 125.908 122.820 0.063 0.000 1.943 3665 A HA 0.269 4.589 4.320 0.001 0.000 0.213 3665 A C 0.526 178.140 177.584 0.050 0.000 1.181 3665 A CA 0.495 52.558 52.037 0.043 0.000 0.653 3665 A CB -0.108 18.909 19.000 0.027 0.000 0.833 3665 A HN 0.891 nan 8.150 nan 0.000 0.451 3666 E N -0.649 119.597 120.200 0.076 0.000 2.272 3666 E HA 0.652 5.003 4.350 0.001 0.000 0.269 3666 E C -0.499 176.207 176.600 0.177 0.000 0.877 3666 E CA -0.756 55.699 56.400 0.090 0.000 0.755 3666 E CB 1.655 31.395 29.700 0.066 0.000 1.192 3666 E HN 0.267 nan 8.360 nan 0.000 0.422 3667 A N 2.319 125.219 122.820 0.134 0.000 2.547 3667 A HA 0.368 4.688 4.320 0.001 0.000 0.233 3667 A C -0.718 177.020 177.584 0.256 0.000 1.067 3667 A CA 0.441 52.556 52.037 0.130 0.000 0.763 3667 A CB -0.316 18.701 19.000 0.029 0.000 1.007 3667 A HN 0.704 nan 8.150 nan 0.000 0.506 3668 Y N -1.297 119.032 120.300 0.049 0.000 2.713 3668 Y HA 0.668 5.218 4.550 0.001 0.000 0.335 3668 Y C -0.328 175.638 175.900 0.109 0.000 1.222 3668 Y CA -0.674 57.469 58.100 0.072 0.000 1.061 3668 Y CB 0.532 39.041 38.460 0.081 0.000 1.314 3668 Y HN 0.645 nan 8.280 nan 0.000 0.453 3669 S N 1.921 117.738 115.700 0.194 0.000 2.554 3669 S HA 0.504 4.975 4.470 0.001 0.000 0.278 3669 S C -1.610 173.119 174.600 0.214 0.000 1.242 3669 S CA -0.367 57.910 58.200 0.128 0.000 1.051 3669 S CB 0.436 63.696 63.200 0.100 0.000 0.986 3669 S HN 0.744 nan 8.310 nan 0.000 0.502 3670 W N 4.776 126.076 121.300 -0.000 0.000 2.756 3670 W HA 0.380 5.040 4.660 0.001 0.000 0.333 3670 W C -0.386 176.153 176.519 0.033 0.000 1.025 3670 W CA -0.667 56.699 57.345 0.034 0.000 1.246 3670 W CB 1.385 30.845 29.460 -0.001 0.000 1.358 3670 W HN 0.793 nan 8.180 nan 0.000 0.444 3671 T N 0.905 115.428 114.554 -0.052 0.000 3.399 3671 T HA 0.152 4.502 4.350 0.001 0.000 0.305 3671 T C -0.282 174.374 174.700 -0.073 0.000 0.983 3671 T CA -0.162 61.952 62.100 0.023 0.000 0.967 3671 T CB 0.231 69.096 68.868 -0.007 0.000 1.186 3671 T HN 0.462 nan 8.240 nan 0.000 0.504 3672 Q N 0.887 120.542 119.800 -0.243 0.000 2.290 3672 Q HA 0.625 4.965 4.340 0.001 0.000 0.259 3672 Q C 0.333 176.478 176.000 0.242 0.000 0.941 3672 Q CA -0.625 55.124 55.803 -0.089 0.000 0.912 3672 Q CB 1.266 29.819 28.738 -0.308 0.000 1.244 3672 Q HN 0.535 nan 8.270 nan 0.000 0.441 3673 G N 1.881 110.764 108.800 0.139 0.000 2.510 3673 G HA2 0.316 4.276 3.960 0.001 0.000 0.280 3673 G HA3 0.316 4.276 3.960 0.001 0.000 0.280 3673 G C -0.516 174.469 174.900 0.142 0.000 1.386 3673 G CA -0.498 44.682 45.100 0.134 0.000 1.047 3673 G HN 0.730 nan 8.290 nan 0.000 0.527 3674 S N -1.490 114.271 115.700 0.100 0.000 2.600 3674 S HA 0.225 4.696 4.470 0.001 0.000 0.265 3674 S C -0.445 174.262 174.600 0.178 0.000 1.325 3674 S CA -0.541 57.742 58.200 0.137 0.000 1.002 3674 S CB 0.928 64.191 63.200 0.105 0.000 0.921 3674 S HN 0.602 nan 8.310 nan 0.000 0.554 3675 W N 2.057 123.375 121.300 0.030 0.000 2.150 3675 W HA 0.446 5.106 4.660 0.001 0.000 0.341 3675 W C 0.083 176.622 176.519 0.033 0.000 1.276 3675 W CA 0.147 57.513 57.345 0.034 0.000 1.238 3675 W CB 0.501 29.983 29.460 0.037 0.000 1.128 3675 W HN 0.820 nan 8.180 nan 0.000 0.581 3676 T N 3.807 117.890 114.554 -0.784 0.000 2.912 3676 T HA 0.214 4.564 4.350 0.001 0.000 0.299 3676 T C 0.124 173.836 174.700 -1.648 0.000 1.052 3676 T CA -0.790 60.791 62.100 -0.865 0.000 0.996 3676 T CB 1.483 70.113 68.868 -0.397 0.000 1.070 3676 T HN 0.682 nan 8.240 nan 0.000 0.465 3677 L N 2.655 123.028 121.223 -1.416 0.000 2.043 3677 L HA -0.017 4.324 4.340 0.001 0.000 0.212 3677 L C 2.387 178.995 176.870 -0.435 0.000 1.075 3677 L CA 2.358 56.673 54.840 -0.876 0.000 0.752 3677 L CB -1.125 40.835 42.059 -0.165 0.000 0.891 3677 L HN 0.955 nan 8.230 nan 0.000 0.432 3678 T N -0.965 113.377 114.554 -0.353 0.000 2.698 3678 T HA -0.022 4.329 4.350 0.001 0.000 0.260 3678 T C 1.352 175.935 174.700 -0.195 0.000 1.044 3678 T CA 1.341 63.321 62.100 -0.200 0.000 1.149 3678 T CB -0.549 68.230 68.868 -0.149 0.000 0.864 3678 T HN 0.545 nan 8.240 nan 0.000 0.419 3679 G N -0.248 108.405 108.800 -0.245 0.000 3.189 3679 G HA2 0.469 4.429 3.960 0.001 0.000 0.225 3679 G HA3 0.469 4.429 3.960 0.001 0.000 0.225 3679 G C 0.825 175.606 174.900 -0.199 0.000 1.159 3679 G CA 0.376 45.372 45.100 -0.173 0.000 0.763 3679 G HN 0.804 nan 8.290 nan 0.000 0.549 3680 G N 0.167 108.729 108.800 -0.397 0.000 2.575 3680 G HA2 -0.267 3.694 3.960 0.001 0.000 0.267 3680 G HA3 -0.267 3.694 3.960 0.001 0.000 0.267 3680 G C -0.015 174.822 174.900 -0.104 0.000 1.264 3680 G CA -0.106 44.828 45.100 -0.276 0.000 0.935 3680 G HN 0.607 nan 8.290 nan 0.000 0.568 3681 L N 3.023 124.339 121.223 0.154 0.000 2.331 3681 L HA 0.428 4.768 4.340 0.001 0.000 0.278 3681 L C -1.163 175.741 176.870 0.056 0.000 1.106 3681 L CA -1.506 53.427 54.840 0.156 0.000 0.824 3681 L CB 1.098 43.271 42.059 0.191 0.000 1.142 3681 L HN 0.529 nan 8.230 nan 0.000 0.443 3682 P HA 0.103 nan 4.420 nan 0.000 0.276 3682 P C -1.084 176.211 177.300 -0.009 0.000 1.252 3682 P CA -0.728 62.372 63.100 0.001 0.000 0.802 3682 P CB 0.745 32.446 31.700 0.001 0.000 1.035 3683 Q N 0.422 120.208 119.800 -0.023 0.000 2.364 3683 Q HA 0.401 4.741 4.340 0.001 0.000 0.267 3683 Q C -0.050 175.917 176.000 -0.056 0.000 0.999 3683 Q CA -0.319 55.461 55.803 -0.039 0.000 0.886 3683 Q CB 0.361 29.078 28.738 -0.034 0.000 1.243 3683 Q HN 0.588 nan 8.270 nan 0.000 0.415 3684 A N 3.945 126.709 122.820 -0.093 0.000 2.531 3684 A HA 0.064 4.385 4.320 0.001 0.000 0.236 3684 A C -0.300 177.240 177.584 -0.075 0.000 1.062 3684 A CA 0.140 52.105 52.037 -0.121 0.000 0.760 3684 A CB 0.226 19.111 19.000 -0.192 0.000 0.995 3684 A HN 0.775 nan 8.150 nan 0.000 0.501 3685 K N 0.987 121.353 120.400 -0.056 0.000 2.120 3685 K HA 0.264 4.585 4.320 0.001 0.000 0.245 3685 K C -0.192 176.385 176.600 -0.038 0.000 1.024 3685 K CA -0.243 56.022 56.287 -0.037 0.000 0.906 3685 K CB 0.439 32.927 32.500 -0.020 0.000 1.051 3685 K HN 0.618 nan 8.250 nan 0.000 0.491 3686 K N 1.110 121.490 120.400 -0.033 0.000 2.118 3686 K HA 0.020 4.341 4.320 0.001 0.000 0.264 3686 K C 0.708 177.290 176.600 -0.030 0.000 1.000 3686 K CA 0.008 56.275 56.287 -0.032 0.000 0.929 3686 K CB 0.985 33.466 32.500 -0.031 0.000 1.021 3686 K HN 0.459 nan 8.250 nan 0.000 0.463 3687 E N 1.062 121.244 120.200 -0.030 0.000 2.204 3687 E HA -0.191 4.160 4.350 0.001 0.000 0.195 3687 E C 0.491 177.066 176.600 -0.041 0.000 0.990 3687 E CA 1.442 57.823 56.400 -0.032 0.000 0.821 3687 E CB 0.210 29.886 29.700 -0.040 0.000 0.750 3687 E HN 0.564 nan 8.360 nan 0.000 0.477 3688 D N -0.131 120.244 120.400 -0.042 0.000 2.355 3688 D HA -0.111 4.530 4.640 0.001 0.000 0.218 3688 D C 0.606 176.872 176.300 -0.057 0.000 1.004 3688 D CA 0.444 54.415 54.000 -0.049 0.000 0.880 3688 D CB -0.095 40.680 40.800 -0.042 0.000 0.911 3688 D HN 0.298 nan 8.370 nan 0.000 0.528 3689 E N 0.149 120.318 120.200 -0.053 0.000 2.465 3689 E HA 0.208 4.559 4.350 0.001 0.000 0.191 3689 E C -0.004 176.551 176.600 -0.075 0.000 1.053 3689 E CA 0.003 56.368 56.400 -0.058 0.000 0.869 3689 E CB 0.425 30.099 29.700 -0.043 0.000 0.977 3689 E HN 0.245 nan 8.360 nan 0.000 0.483 3690 L N 1.523 122.694 121.223 -0.086 0.000 2.415 3690 L HA 0.261 4.601 4.340 0.001 0.000 0.268 3690 L C -1.824 174.936 176.870 -0.183 0.000 0.984 3690 L CA -1.656 53.116 54.840 -0.114 0.000 0.853 3690 L CB 1.890 43.930 42.059 -0.032 0.000 1.215 3690 L HN -0.136 nan 8.230 nan 0.000 0.419 3691 P HA -0.069 nan 4.420 nan 0.000 0.221 3691 P C 0.017 177.049 177.300 -0.446 0.000 1.150 3691 P CA 1.157 63.941 63.100 -0.526 0.000 0.800 3691 P CB 0.141 31.273 31.700 -0.946 0.000 0.787 3692 F N -1.190 118.782 119.950 0.037 0.000 2.483 3692 F HA 0.441 4.968 4.527 0.001 0.000 0.329 3692 F C 0.822 176.702 175.800 0.132 0.000 1.064 3692 F CA -1.556 56.476 58.000 0.054 0.000 0.986 3692 F CB 0.464 39.463 39.000 -0.002 0.000 1.218 3692 F HN -0.132 nan 8.300 nan 0.000 0.484 3693 H N 1.272 120.483 119.070 0.235 0.000 2.708 3693 H HA 0.651 5.208 4.556 0.001 0.000 0.320 3693 H C -1.756 173.645 175.328 0.122 0.000 0.991 3693 H CA -0.507 55.626 56.048 0.140 0.000 1.243 3693 H CB 1.401 31.223 29.762 0.100 0.000 1.446 3693 H HN 0.429 nan 8.280 nan 0.000 0.502 3694 V N 6.047 125.835 119.914 -0.211 0.000 2.555 3694 V HA 0.200 4.321 4.120 0.001 0.000 0.302 3694 V C -0.195 175.711 176.094 -0.314 0.000 1.038 3694 V CA -0.791 61.397 62.300 -0.187 0.000 0.887 3694 V CB 1.979 33.865 31.823 0.105 0.000 0.991 3694 V HN 0.496 nan 8.190 nan 0.000 0.434 3695 V N 4.014 123.785 119.914 -0.239 0.000 2.370 3695 V HA 0.721 4.841 4.120 0.001 0.000 0.279 3695 V C 0.385 176.435 176.094 -0.074 0.000 1.029 3695 V CA -0.389 61.786 62.300 -0.208 0.000 0.870 3695 V CB 1.407 33.098 31.823 -0.220 0.000 0.984 3695 V HN 0.976 nan 8.190 nan 0.000 0.451 3696 A N 4.879 127.649 122.820 -0.083 0.000 2.287 3696 A HA 0.719 5.040 4.320 0.001 0.000 0.317 3696 A C -1.043 176.423 177.584 -0.197 0.000 1.220 3696 A CA -0.463 51.582 52.037 0.013 0.000 0.835 3696 A CB 0.369 19.438 19.000 0.115 0.000 1.180 3696 A HN 0.707 nan 8.150 nan 0.000 0.500 3697 Y N 1.602 121.706 120.300 -0.326 0.000 2.393 3697 Y HA 0.197 4.747 4.550 0.001 0.000 0.338 3697 Y C 0.552 175.977 175.900 -0.792 0.000 1.029 3697 Y CA 0.443 58.191 58.100 -0.587 0.000 1.239 3697 Y CB 0.916 38.844 38.460 -0.886 0.000 1.170 3697 Y HN 0.731 nan 8.280 nan 0.000 0.515 3698 D N 3.798 123.921 120.400 -0.460 0.000 2.393 3698 D HA 0.095 4.735 4.640 0.001 0.000 0.232 3698 D C -0.632 175.499 176.300 -0.282 0.000 1.192 3698 D CA 0.022 53.841 54.000 -0.302 0.000 0.882 3698 D CB -0.029 40.721 40.800 -0.084 0.000 1.038 3698 D HN 0.292 nan 8.370 nan 0.000 0.499 3699 F N 1.631 121.607 119.950 0.043 0.000 2.647 3699 F HA 0.376 4.904 4.527 0.001 0.000 0.300 3699 F C 1.611 177.404 175.800 -0.011 0.000 1.106 3699 F CA -0.409 57.605 58.000 0.023 0.000 1.313 3699 F CB 0.367 39.344 39.000 -0.038 0.000 1.007 3699 F HN 0.539 nan 8.300 nan 0.000 0.536 3700 G N 0.697 109.554 108.800 0.095 0.000 2.618 3700 G HA2 0.133 4.094 3.960 0.001 0.000 0.180 3700 G HA3 0.133 4.094 3.960 0.001 0.000 0.180 3700 G C -0.008 174.886 174.900 -0.011 0.000 1.092 3700 G CA -0.524 44.584 45.100 0.014 0.000 0.856 3700 G HN 0.564 nan 8.290 nan 0.000 0.496 3701 A N 0.331 123.153 122.820 0.002 0.000 2.440 3701 A HA 0.640 4.961 4.320 0.001 0.000 0.251 3701 A C 0.770 178.343 177.584 -0.018 0.000 1.089 3701 A CA 0.265 52.300 52.037 -0.003 0.000 0.779 3701 A CB 0.431 19.425 19.000 -0.010 0.000 1.022 3701 A HN 0.503 nan 8.150 nan 0.000 0.492 3702 K N 1.466 121.858 120.400 -0.014 0.000 2.298 3702 K HA 0.175 4.495 4.320 0.001 0.000 0.280 3702 K C 0.928 177.480 176.600 -0.080 0.000 1.032 3702 K CA -0.340 55.941 56.287 -0.010 0.000 0.958 3702 K CB 0.988 33.499 32.500 0.018 0.000 0.978 3702 K HN 0.709 nan 8.250 nan 0.000 0.472 3703 R N 1.422 121.884 120.500 -0.063 0.000 2.105 3703 R HA -0.209 4.132 4.340 0.001 0.000 0.239 3703 R C 1.651 177.860 176.300 -0.153 0.000 1.135 3703 R CA 1.544 57.542 56.100 -0.171 0.000 0.967 3703 R CB -0.321 30.028 30.300 0.082 0.000 0.861 3703 R HN 0.552 nan 8.270 nan 0.000 0.442 3704 N N 0.857 119.528 118.700 -0.048 0.000 2.272 3704 N HA -0.096 4.645 4.740 0.001 0.000 0.185 3704 N C 1.508 176.952 175.510 -0.111 0.000 1.014 3704 N CA 0.932 53.955 53.050 -0.046 0.000 0.870 3704 N CB -0.012 38.467 38.487 -0.012 0.000 0.975 3704 N HN 0.203 nan 8.380 nan 0.000 0.433 3705 I N -0.131 120.379 120.570 -0.101 0.000 2.252 3705 I HA -0.251 3.920 4.170 0.001 0.000 0.245 3705 I C 1.719 177.676 176.117 -0.267 0.000 1.102 3705 I CA 0.789 62.036 61.300 -0.088 0.000 1.385 3705 I CB -0.189 37.799 38.000 -0.019 0.000 1.064 3705 I HN 0.177 nan 8.210 nan 0.000 0.414 3706 L N 0.077 121.067 121.223 -0.389 0.000 2.027 3706 L HA -0.172 4.169 4.340 0.001 0.000 0.206 3706 L C 2.705 179.399 176.870 -0.293 0.000 1.074 3706 L CA 1.379 55.879 54.840 -0.567 0.000 0.745 3706 L CB -0.731 40.510 42.059 -1.364 0.000 0.898 3706 L HN 0.147 nan 8.230 nan 0.000 0.433 3707 R N -0.227 120.199 120.500 -0.124 0.000 2.096 3707 R HA -0.105 4.236 4.340 0.001 0.000 0.235 3707 R C 2.361 178.633 176.300 -0.047 0.000 1.127 3707 R CA 1.332 57.495 56.100 0.105 0.000 0.968 3707 R CB -0.296 30.103 30.300 0.164 0.000 0.861 3707 R HN 0.336 nan 8.270 nan 0.000 0.440 3708 M N 0.331 119.793 119.600 -0.230 0.000 2.159 3708 M HA -0.168 4.313 4.480 0.001 0.000 0.263 3708 M C 2.123 178.190 176.300 -0.389 0.000 1.063 3708 M CA 1.588 56.626 55.300 -0.436 0.000 1.110 3708 M CB -0.227 31.867 32.600 -0.843 0.000 1.374 3708 M HN 0.161 nan 8.290 nan 0.000 0.411 3709 L N -0.885 120.170 121.223 -0.280 0.000 2.056 3709 L HA -0.172 4.168 4.340 0.001 0.000 0.207 3709 L C 2.410 179.298 176.870 0.031 0.000 1.078 3709 L CA 0.789 55.594 54.840 -0.058 0.000 0.749 3709 L CB -0.645 41.398 42.059 -0.028 0.000 0.901 3709 L HN 0.092 nan 8.230 nan 0.000 0.433 3710 V N -0.211 119.730 119.914 0.045 0.000 2.343 3710 V HA -0.297 3.824 4.120 0.001 0.000 0.247 3710 V C 2.055 178.184 176.094 0.057 0.000 1.051 3710 V CA 1.871 64.232 62.300 0.103 0.000 1.036 3710 V CB -0.514 31.422 31.823 0.188 0.000 0.654 3710 V HN 0.439 nan 8.190 nan 0.000 0.451 3711 D N 0.075 120.483 120.400 0.014 0.000 2.221 3711 D HA -0.141 4.500 4.640 0.001 0.000 0.204 3711 D C 2.179 178.488 176.300 0.016 0.000 0.982 3711 D CA 1.067 55.066 54.000 -0.002 0.000 0.857 3711 D CB -0.221 40.549 40.800 -0.050 0.000 0.934 3711 D HN 0.431 nan 8.370 nan 0.000 0.475 3712 R N -0.784 119.738 120.500 0.036 0.000 2.334 3712 R HA 0.283 4.624 4.340 0.001 0.000 0.220 3712 R C 1.250 177.664 176.300 0.190 0.000 0.917 3712 R CA 0.496 56.656 56.100 0.100 0.000 1.073 3712 R CB 0.537 30.902 30.300 0.108 0.000 1.056 3712 R HN 0.134 nan 8.270 nan 0.000 0.506 3713 G N 0.009 108.883 108.800 0.123 0.000 2.179 3713 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 3713 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 3713 G C 0.147 175.113 174.900 0.111 0.000 0.990 3713 G CA -0.396 44.733 45.100 0.047 0.000 0.646 3713 G HN 0.336 nan 8.290 nan 0.000 0.517 3714 C N 2.586 122.029 119.300 0.237 0.000 2.369 3714 C HA 0.708 5.169 4.460 0.001 0.000 0.358 3714 C C 0.993 176.094 174.990 0.184 0.000 1.274 3714 C CA -0.808 58.360 59.018 0.250 0.000 1.935 3714 C CB 0.357 28.230 27.740 0.222 0.000 2.431 3714 C HN 0.671 nan 8.230 nan 0.000 0.545 3715 R N 3.401 124.024 120.500 0.204 0.000 2.368 3715 R HA 0.764 5.104 4.340 0.001 0.000 0.302 3715 R C -1.489 174.980 176.300 0.282 0.000 1.002 3715 R CA -0.417 55.804 56.100 0.202 0.000 0.929 3715 R CB 0.561 30.940 30.300 0.132 0.000 1.073 3715 R HN 0.694 nan 8.270 nan 0.000 0.464 3716 L N 1.885 123.254 121.223 0.243 0.000 2.334 3716 L HA 0.438 4.779 4.340 0.001 0.000 0.273 3716 L C -0.164 176.801 176.870 0.158 0.000 1.013 3716 L CA -0.941 54.007 54.840 0.181 0.000 0.816 3716 L CB 2.327 44.457 42.059 0.118 0.000 1.278 3716 L HN 0.696 nan 8.230 nan 0.000 0.431 3717 T N 3.581 118.189 114.554 0.090 0.000 2.893 3717 T HA 0.466 4.817 4.350 0.001 0.000 0.324 3717 T C -0.175 174.433 174.700 -0.154 0.000 1.082 3717 T CA -0.378 61.741 62.100 0.031 0.000 0.983 3717 T CB 0.376 69.341 68.868 0.161 0.000 1.005 3717 T HN 0.155 nan 8.240 nan 0.000 0.475 3718 I N 5.107 125.475 120.570 -0.337 0.000 2.371 3718 I HA 0.372 4.542 4.170 0.001 0.000 0.290 3718 I C 0.609 176.525 176.117 -0.335 0.000 1.028 3718 I CA -0.934 60.100 61.300 -0.443 0.000 1.345 3718 I CB 0.460 37.937 38.000 -0.872 0.000 1.407 3718 I HN 0.325 nan 8.210 nan 0.000 0.501 3719 V N 5.380 125.108 119.914 -0.311 0.000 2.815 3719 V HA 0.698 4.818 4.120 0.001 0.000 0.314 3719 V C -2.670 173.288 176.094 -0.227 0.000 1.064 3719 V CA -2.585 59.553 62.300 -0.270 0.000 0.952 3719 V CB 1.659 33.229 31.823 -0.421 0.000 1.020 3719 V HN 0.435 nan 8.190 nan 0.000 0.439 3720 P HA 0.189 nan 4.420 nan 0.000 0.267 3720 P C 0.858 178.169 177.300 0.020 0.000 1.200 3720 P CA 0.690 63.779 63.100 -0.019 0.000 0.772 3720 P CB 0.880 32.585 31.700 0.009 0.000 0.855 3721 A N 3.278 126.168 122.820 0.117 0.000 1.958 3721 A HA -0.277 4.043 4.320 0.001 0.000 0.221 3721 A C 1.625 179.501 177.584 0.486 0.000 1.178 3721 A CA 1.944 54.215 52.037 0.389 0.000 0.642 3721 A CB -1.084 18.216 19.000 0.501 0.000 0.816 3721 A HN 0.619 nan 8.150 nan 0.000 0.453 3722 Q N -0.140 119.722 119.800 0.103 0.000 2.320 3722 Q HA 0.132 4.473 4.340 0.001 0.000 0.201 3722 Q C 0.005 176.104 176.000 0.165 0.000 0.910 3722 Q CA 0.199 55.989 55.803 -0.022 0.000 0.946 3722 Q CB 0.033 28.561 28.738 -0.350 0.000 1.062 3722 Q HN 0.496 nan 8.270 nan 0.000 0.503 3723 T N 1.412 116.110 114.554 0.239 0.000 2.908 3723 T HA 0.085 4.436 4.350 0.001 0.000 0.301 3723 T C 0.480 175.358 174.700 0.297 0.000 1.019 3723 T CA -0.007 62.203 62.100 0.183 0.000 1.152 3723 T CB 0.515 69.388 68.868 0.010 0.000 0.966 3723 T HN 0.385 nan 8.240 nan 0.000 0.540 3724 S N 2.366 118.170 115.700 0.174 0.000 2.593 3724 S HA 0.454 4.925 4.470 0.001 0.000 0.269 3724 S C 1.706 176.412 174.600 0.177 0.000 1.334 3724 S CA -0.495 57.789 58.200 0.140 0.000 1.015 3724 S CB 0.908 64.152 63.200 0.073 0.000 0.912 3724 S HN 0.769 nan 8.310 nan 0.000 0.541 3725 A N 1.303 124.139 122.820 0.027 0.000 1.902 3725 A HA -0.056 4.265 4.320 0.001 0.000 0.217 3725 A C 2.015 179.687 177.584 0.147 0.000 1.181 3725 A CA 1.758 53.763 52.037 -0.054 0.000 0.623 3725 A CB -1.211 17.528 19.000 -0.434 0.000 0.818 3725 A HN 0.882 nan 8.150 nan 0.000 0.443 3726 E N 0.714 120.961 120.200 0.079 0.000 2.058 3726 E HA -0.168 4.183 4.350 0.001 0.000 0.194 3726 E C 1.582 178.252 176.600 0.117 0.000 0.997 3726 E CA 1.507 57.961 56.400 0.091 0.000 0.801 3726 E CB -0.359 29.373 29.700 0.054 0.000 0.746 3726 E HN 0.564 nan 8.360 nan 0.000 0.450 3727 D N -0.348 120.119 120.400 0.112 0.000 2.178 3727 D HA -0.097 4.544 4.640 0.001 0.000 0.201 3727 D C 1.926 178.299 176.300 0.123 0.000 0.980 3727 D CA 0.572 54.632 54.000 0.101 0.000 0.842 3727 D CB -0.112 40.736 40.800 0.079 0.000 0.948 3727 D HN 0.026 nan 8.370 nan 0.000 0.472 3728 V N 1.083 121.112 119.914 0.193 0.000 2.229 3728 V HA -0.199 3.922 4.120 0.001 0.000 0.243 3728 V C 2.667 178.869 176.094 0.180 0.000 1.042 3728 V CA 1.052 63.475 62.300 0.204 0.000 1.000 3728 V CB -0.529 31.522 31.823 0.379 0.000 0.637 3728 V HN 0.202 nan 8.190 nan 0.000 0.446 3729 L N -0.271 121.106 121.223 0.258 0.000 2.197 3729 L HA -0.298 4.043 4.340 0.001 0.000 0.215 3729 L C 2.459 179.415 176.870 0.143 0.000 1.095 3729 L CA 1.758 56.720 54.840 0.203 0.000 0.764 3729 L CB -0.790 41.403 42.059 0.224 0.000 0.897 3729 L HN 0.392 nan 8.230 nan 0.000 0.436 3730 K N -0.184 120.292 120.400 0.127 0.000 2.283 3730 K HA -0.084 4.236 4.320 0.001 0.000 0.202 3730 K C 1.905 178.564 176.600 0.099 0.000 1.048 3730 K CA 1.065 57.412 56.287 0.100 0.000 0.948 3730 K CB -0.087 32.462 32.500 0.083 0.000 0.742 3730 K HN 0.384 nan 8.250 nan 0.000 0.458 3731 M N 0.095 119.763 119.600 0.112 0.000 2.595 3731 M HA 0.035 4.516 4.480 0.001 0.000 0.248 3731 M C -0.474 175.926 176.300 0.167 0.000 1.119 3731 M CA 0.432 55.812 55.300 0.134 0.000 1.079 3731 M CB -0.468 32.226 32.600 0.158 0.000 1.472 3731 M HN 0.086 nan 8.290 nan 0.000 0.501 3732 N N 0.562 119.349 118.700 0.145 0.000 2.708 3732 N HA -0.089 4.651 4.740 0.001 0.000 0.255 3732 N C -2.603 173.023 175.510 0.193 0.000 1.046 3732 N CA -0.198 52.948 53.050 0.159 0.000 0.715 3732 N CB -1.042 37.528 38.487 0.138 0.000 0.895 3732 N HN 0.288 nan 8.380 nan 0.000 0.545 3733 P HA 0.050 nan 4.420 nan 0.000 0.269 3733 P C 0.073 177.442 177.300 0.115 0.000 1.209 3733 P CA 0.070 63.188 63.100 0.030 0.000 0.776 3733 P CB 0.700 32.330 31.700 -0.117 0.000 0.876 3734 D N 0.071 120.529 120.400 0.098 0.000 2.249 3734 D HA 0.129 4.770 4.640 0.001 0.000 0.205 3734 D C 1.106 177.399 176.300 -0.012 0.000 0.962 3734 D CA 1.138 55.240 54.000 0.169 0.000 0.860 3734 D CB 0.122 41.024 40.800 0.171 0.000 0.955 3734 D HN 0.593 nan 8.370 nan 0.000 0.505 3735 G N -0.377 108.380 108.800 -0.071 0.000 2.673 3735 G HA2 0.553 4.514 3.960 0.001 0.000 0.292 3735 G HA3 0.553 4.514 3.960 0.001 0.000 0.292 3735 G C -1.591 173.346 174.900 0.061 0.000 1.450 3735 G CA -0.738 44.348 45.100 -0.024 0.000 0.837 3735 G HN -0.015 nan 8.290 nan 0.000 0.505 3736 I N 0.850 121.481 120.570 0.103 0.000 2.389 3736 I HA 0.411 4.582 4.170 0.001 0.000 0.288 3736 I C -1.103 175.047 176.117 0.054 0.000 0.999 3736 I CA -0.641 60.638 61.300 -0.035 0.000 1.129 3736 I CB 1.844 39.596 38.000 -0.412 0.000 1.288 3736 I HN 0.386 nan 8.210 nan 0.000 0.444 3737 F N 7.586 127.487 119.950 -0.081 0.000 2.436 3737 F HA 0.609 5.137 4.527 0.001 0.000 0.340 3737 F C -0.892 174.822 175.800 -0.144 0.000 1.113 3737 F CA -0.820 57.052 58.000 -0.214 0.000 1.022 3737 F CB 1.076 39.982 39.000 -0.157 0.000 1.128 3737 F HN 0.195 nan 8.300 nan 0.000 0.466 3738 L N 6.638 127.125 121.223 -1.227 0.000 2.283 3738 L HA 0.371 4.711 4.340 0.001 0.000 0.281 3738 L C 0.403 176.607 176.870 -1.110 0.000 1.033 3738 L CA -0.741 53.625 54.840 -0.790 0.000 0.848 3738 L CB 0.694 42.548 42.059 -0.342 0.000 1.226 3738 L HN 0.722 nan 8.230 nan 0.000 0.429 3739 S N 2.181 117.430 115.700 -0.752 0.000 2.598 3739 S HA 0.156 4.626 4.470 0.001 0.000 0.256 3739 S C 0.326 174.874 174.600 -0.086 0.000 1.350 3739 S CA -0.712 57.285 58.200 -0.338 0.000 0.984 3739 S CB 0.566 63.731 63.200 -0.058 0.000 0.930 3739 S HN 0.716 nan 8.310 nan 0.000 0.577 3740 N N 0.483 119.162 118.700 -0.036 0.000 2.347 3740 N HA 0.574 5.315 4.740 0.001 0.000 0.253 3740 N C 0.123 175.643 175.510 0.016 0.000 1.274 3740 N CA -0.067 52.961 53.050 -0.037 0.000 0.941 3740 N CB 0.263 38.731 38.487 -0.031 0.000 1.200 3740 N HN 1.102 nan 8.380 nan 0.000 0.514 3741 G N -1.371 107.416 108.800 -0.023 0.000 2.355 3741 G HA2 0.368 4.329 3.960 0.001 0.000 0.296 3741 G HA3 0.368 4.329 3.960 0.001 0.000 0.296 3741 G C -3.329 171.543 174.900 -0.047 0.000 1.507 3741 G CA -0.889 44.207 45.100 -0.007 0.000 0.823 3741 G HN 0.500 nan 8.290 nan 0.000 0.569 3742 P HA 0.516 nan 4.420 nan 0.000 0.275 3742 P C 1.107 178.399 177.300 -0.013 0.000 1.266 3742 P CA 1.223 64.320 63.100 -0.006 0.000 0.793 3742 P CB 0.701 32.420 31.700 0.031 0.000 1.074 3743 G N 0.141 108.968 108.800 0.046 0.000 2.641 3743 G HA2 -0.210 3.751 3.960 0.001 0.000 0.254 3743 G HA3 -0.210 3.751 3.960 0.001 0.000 0.254 3743 G C -0.627 174.127 174.900 -0.243 0.000 1.315 3743 G CA -0.011 45.103 45.100 0.023 0.000 0.907 3743 G HN 0.700 nan 8.290 nan 0.000 0.572 3744 D N 0.975 121.078 120.400 -0.494 0.000 2.304 3744 D HA 0.442 5.083 4.640 0.001 0.000 0.250 3744 D C -0.411 175.483 176.300 -0.676 0.000 1.107 3744 D CA -1.510 51.827 54.000 -1.104 0.000 0.885 3744 D CB 1.537 41.924 40.800 -0.688 0.000 1.192 3744 D HN 0.062 nan 8.370 nan 0.000 0.436 3745 P HA 0.017 nan 4.420 nan 0.000 0.222 3745 P C 1.049 178.082 177.300 -0.446 0.000 1.157 3745 P CA 0.576 63.367 63.100 -0.515 0.000 0.816 3745 P CB 0.175 31.601 31.700 -0.457 0.000 0.813 3746 A N 2.371 124.951 122.820 -0.400 0.000 1.882 3746 A HA -0.178 4.143 4.320 0.001 0.000 0.220 3746 A C -0.052 177.370 177.584 -0.269 0.000 1.253 3746 A CA 2.932 54.796 52.037 -0.290 0.000 0.664 3746 A CB -2.553 16.317 19.000 -0.217 0.000 0.838 3746 A HN 0.254 nan 8.150 nan 0.000 0.460 3747 P HA 0.009 nan 4.420 nan 0.000 0.234 3747 P C 0.047 177.186 177.300 -0.268 0.000 1.167 3747 P CA 0.579 63.558 63.100 -0.201 0.000 0.763 3747 P CB -0.679 30.935 31.700 -0.143 0.000 0.835 3748 C N 2.486 121.525 119.300 -0.434 0.000 3.093 3748 C HA 0.050 4.511 4.460 0.001 0.000 0.515 3748 C C 2.084 176.512 174.990 -0.935 0.000 1.253 3748 C CA -0.557 57.966 59.018 -0.824 0.000 1.476 3748 C CB -2.281 24.897 27.740 -0.936 0.000 1.873 3748 C HN 0.391 nan 8.230 nan 0.000 0.632 3749 D N 1.923 122.012 120.400 -0.517 0.000 2.170 3749 D HA -0.316 4.324 4.640 0.001 0.000 0.193 3749 D C 1.433 177.565 176.300 -0.279 0.000 1.004 3749 D CA 2.180 55.996 54.000 -0.306 0.000 0.860 3749 D CB -0.615 40.111 40.800 -0.124 0.000 0.931 3749 D HN 0.665 nan 8.370 nan 0.000 0.448 3750 Y N 0.136 120.382 120.300 -0.089 0.000 2.224 3750 Y HA 0.224 4.775 4.550 0.001 0.000 0.289 3750 Y C 2.862 178.705 175.900 -0.096 0.000 1.146 3750 Y CA 0.643 58.705 58.100 -0.064 0.000 1.182 3750 Y CB -1.190 37.266 38.460 -0.007 0.000 0.983 3750 Y HN 0.125 nan 8.280 nan 0.000 0.524 3751 A N 1.510 124.038 122.820 -0.486 0.000 1.855 3751 A HA -0.084 4.236 4.320 0.001 0.000 0.215 3751 A C 2.226 179.603 177.584 -0.345 0.000 1.191 3751 A CA 1.868 53.698 52.037 -0.345 0.000 0.613 3751 A CB -1.203 17.417 19.000 -0.634 0.000 0.829 3751 A HN 0.508 nan 8.150 nan 0.000 0.442 3752 I N -0.072 120.264 120.570 -0.390 0.000 2.248 3752 I HA -0.272 3.899 4.170 0.001 0.000 0.248 3752 I C 2.567 178.544 176.117 -0.235 0.000 1.107 3752 I CA 1.826 62.946 61.300 -0.300 0.000 1.373 3752 I CB -0.638 37.192 38.000 -0.283 0.000 1.055 3752 I HN 0.256 nan 8.210 nan 0.000 0.418 3753 T N 0.538 114.969 114.554 -0.205 0.000 2.701 3753 T HA -0.142 4.209 4.350 0.001 0.000 0.263 3753 T C 2.117 176.682 174.700 -0.226 0.000 1.040 3753 T CA 1.476 63.476 62.100 -0.167 0.000 1.147 3753 T CB -0.392 68.412 68.868 -0.105 0.000 0.865 3753 T HN 0.484 nan 8.240 nan 0.000 0.426 3754 A N 1.076 123.743 122.820 -0.256 0.000 1.908 3754 A HA -0.053 4.267 4.320 0.001 0.000 0.218 3754 A C 2.284 179.408 177.584 -0.767 0.000 1.181 3754 A CA 1.352 53.120 52.037 -0.450 0.000 0.627 3754 A CB -0.850 17.978 19.000 -0.287 0.000 0.818 3754 A HN 0.530 nan 8.150 nan 0.000 0.445 3755 I N -0.680 119.625 120.570 -0.441 0.000 2.286 3755 I HA -0.306 3.865 4.170 0.001 0.000 0.248 3755 I C 2.772 178.793 176.117 -0.161 0.000 1.115 3755 I CA 1.459 62.633 61.300 -0.210 0.000 1.392 3755 I CB -0.370 37.552 38.000 -0.130 0.000 1.065 3755 I HN 0.432 nan 8.210 nan 0.000 0.418 3756 Q N 0.468 120.153 119.800 -0.191 0.000 2.124 3756 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 3756 Q C 2.191 178.117 176.000 -0.123 0.000 0.977 3756 Q CA 1.467 57.194 55.803 -0.126 0.000 0.850 3756 Q CB -0.034 28.630 28.738 -0.125 0.000 0.901 3756 Q HN 0.320 nan 8.270 nan 0.000 0.429 3757 K N 0.087 120.348 120.400 -0.230 0.000 2.002 3757 K HA -0.137 4.183 4.320 0.001 0.000 0.209 3757 K C 1.661 178.199 176.600 -0.104 0.000 1.048 3757 K CA 1.364 57.523 56.287 -0.214 0.000 0.930 3757 K CB -0.171 32.134 32.500 -0.325 0.000 0.714 3757 K HN 0.071 nan 8.250 nan 0.000 0.438 3758 F N 0.924 120.865 119.950 -0.016 0.000 2.161 3758 F HA -0.131 4.397 4.527 0.001 0.000 0.300 3758 F C 1.662 177.450 175.800 -0.020 0.000 1.089 3758 F CA 0.967 58.960 58.000 -0.012 0.000 1.282 3758 F CB -0.782 38.204 39.000 -0.023 0.000 1.010 3758 F HN -0.035 nan 8.300 nan 0.000 0.485 3759 L N -0.365 120.948 121.223 0.150 0.000 2.633 3759 L HA -0.138 4.202 4.340 0.001 0.000 0.235 3759 L C 1.822 178.727 176.870 0.059 0.000 1.163 3759 L CA 0.868 55.756 54.840 0.080 0.000 0.859 3759 L CB -0.685 41.393 42.059 0.032 0.000 0.973 3759 L HN 0.250 nan 8.230 nan 0.000 0.451 3760 E N -0.421 119.816 120.200 0.061 0.000 2.318 3760 E HA -0.051 4.299 4.350 0.001 0.000 0.193 3760 E C 1.293 177.932 176.600 0.066 0.000 0.998 3760 E CA 0.604 57.032 56.400 0.047 0.000 0.859 3760 E CB 0.346 30.062 29.700 0.028 0.000 0.812 3760 E HN 0.504 nan 8.360 nan 0.000 0.492 3761 T N -1.643 112.966 114.554 0.091 0.000 2.867 3761 T HA 0.120 4.470 4.350 0.001 0.000 0.286 3761 T C 0.513 175.256 174.700 0.072 0.000 1.022 3761 T CA -0.610 61.548 62.100 0.096 0.000 0.933 3761 T CB 1.012 69.953 68.868 0.120 0.000 1.280 3761 T HN -0.296 nan 8.240 nan 0.000 0.566 3762 D N -0.284 120.158 120.400 0.071 0.000 2.395 3762 D HA 0.336 4.977 4.640 0.001 0.000 0.213 3762 D C 0.314 176.490 176.300 -0.207 0.000 1.110 3762 D CA -0.139 53.891 54.000 0.050 0.000 0.835 3762 D CB -0.105 40.812 40.800 0.195 0.000 0.965 3762 D HN 0.533 nan 8.370 nan 0.000 0.505 3763 I N 2.306 122.672 120.570 -0.341 0.000 2.648 3763 I HA 0.086 4.257 4.170 0.001 0.000 0.284 3763 I C -2.037 173.874 176.117 -0.343 0.000 1.153 3763 I CA -1.474 59.428 61.300 -0.664 0.000 1.426 3763 I CB 0.395 38.141 38.000 -0.422 0.000 1.381 3763 I HN -0.360 nan 8.210 nan 0.000 0.571 3764 P HA 0.157 nan 4.420 nan 0.000 0.275 3764 P C -0.849 176.529 177.300 0.129 0.000 1.227 3764 P CA -0.062 63.028 63.100 -0.016 0.000 0.781 3764 P CB 0.860 32.573 31.700 0.022 0.000 0.906 3765 V N 4.715 124.710 119.914 0.136 0.000 2.483 3765 V HA 0.447 4.568 4.120 0.001 0.000 0.297 3765 V C -0.763 175.296 176.094 -0.059 0.000 1.027 3765 V CA -0.434 61.879 62.300 0.021 0.000 0.855 3765 V CB 1.304 33.106 31.823 -0.034 0.000 0.995 3765 V HN 0.374 nan 8.190 nan 0.000 0.424 3766 F N 3.719 123.313 119.950 -0.594 0.000 2.518 3766 F HA 0.888 5.416 4.527 0.001 0.000 0.323 3766 F C 0.241 175.596 175.800 -0.741 0.000 1.129 3766 F CA -1.251 56.179 58.000 -0.951 0.000 0.920 3766 F CB 1.826 39.866 39.000 -1.599 0.000 1.160 3766 F HN 0.558 nan 8.300 nan 0.000 0.440 3767 G N 6.522 114.837 108.800 -0.809 0.000 2.495 3767 G HA2 0.668 4.629 3.960 0.001 0.000 0.318 3767 G HA3 0.668 4.629 3.960 0.001 0.000 0.318 3767 G C -1.284 173.084 174.900 -0.886 0.000 1.257 3767 G CA -0.624 43.949 45.100 -0.879 0.000 0.962 3767 G HN 0.698 nan 8.290 nan 0.000 0.483 3771 G N -0.628 108.026 108.800 -0.244 0.000 2.450 3771 G HA2 -0.348 3.613 3.960 0.001 0.000 0.220 3771 G HA3 -0.348 3.613 3.960 0.001 0.000 0.220 3771 G C 1.275 175.995 174.900 -0.300 0.000 1.130 3771 G CA 1.451 46.369 45.100 -0.305 0.000 0.760 3771 G HN 0.680 nan 8.290 nan 0.000 0.557 3772 H N 0.112 118.975 119.070 -0.345 0.000 2.363 3772 H HA 0.070 4.627 4.556 0.001 0.000 0.301 3772 H C 2.577 177.756 175.328 -0.249 0.000 1.074 3772 H CA 1.853 57.728 56.048 -0.288 0.000 1.354 3772 H CB -0.107 29.485 29.762 -0.282 0.000 1.397 3772 H HN 0.396 nan 8.280 nan 0.000 0.516 3773 Q N 0.138 119.724 119.800 -0.357 0.000 2.084 3773 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 3773 Q C 2.470 178.244 176.000 -0.376 0.000 0.978 3773 Q CA 1.618 57.194 55.803 -0.378 0.000 0.844 3773 Q CB 0.023 28.604 28.738 -0.262 0.000 0.898 3773 Q HN 0.485 nan 8.270 nan 0.000 0.426 3774 L N 0.181 121.173 121.223 -0.386 0.000 2.046 3774 L HA -0.184 4.156 4.340 0.001 0.000 0.208 3774 L C 2.377 179.054 176.870 -0.322 0.000 1.077 3774 L CA 0.623 55.225 54.840 -0.397 0.000 0.747 3774 L CB -0.479 41.277 42.059 -0.505 0.000 0.896 3774 L HN 0.313 nan 8.230 nan 0.000 0.432 3775 L N 0.283 121.322 121.223 -0.307 0.000 2.046 3775 L HA -0.112 4.229 4.340 0.001 0.000 0.208 3775 L C 2.578 179.305 176.870 -0.237 0.000 1.077 3775 L CA 2.021 56.715 54.840 -0.243 0.000 0.747 3775 L CB -0.737 41.195 42.059 -0.212 0.000 0.896 3775 L HN 0.100 nan 8.230 nan 0.000 0.432 3776 A N -0.173 122.459 122.820 -0.313 0.000 1.902 3776 A HA -0.129 4.192 4.320 0.001 0.000 0.217 3776 A C 2.244 179.706 177.584 -0.204 0.000 1.181 3776 A CA 1.948 53.830 52.037 -0.259 0.000 0.623 3776 A CB -0.971 17.841 19.000 -0.312 0.000 0.818 3776 A HN 0.529 nan 8.150 nan 0.000 0.443 3777 L N -0.623 120.461 121.223 -0.230 0.000 2.042 3777 L HA -0.208 4.133 4.340 0.001 0.000 0.210 3777 L C 2.978 179.742 176.870 -0.176 0.000 1.076 3777 L CA 1.174 55.892 54.840 -0.202 0.000 0.749 3777 L CB -0.520 41.397 42.059 -0.237 0.000 0.893 3777 L HN 0.412 nan 8.230 nan 0.000 0.432 3778 A N -1.105 121.603 122.820 -0.186 0.000 2.121 3778 A HA -0.109 4.211 4.320 0.001 0.000 0.218 3778 A C 2.278 179.793 177.584 -0.114 0.000 1.154 3778 A CA 1.694 53.639 52.037 -0.155 0.000 0.679 3778 A CB -0.325 18.581 19.000 -0.156 0.000 0.795 3778 A HN 0.397 nan 8.150 nan 0.000 0.458 3779 S N -1.787 113.847 115.700 -0.111 0.000 2.556 3779 S HA 0.397 4.867 4.470 0.001 0.000 0.216 3779 S C 1.235 175.793 174.600 -0.070 0.000 0.970 3779 S CA 0.581 58.735 58.200 -0.078 0.000 0.912 3779 S CB 0.371 63.531 63.200 -0.067 0.000 0.790 3779 S HN 1.570 nan 8.310 nan 0.000 0.504 3780 G N 1.316 110.064 108.800 -0.086 0.000 2.131 3780 G HA2 -0.113 3.847 3.960 0.001 0.000 0.223 3780 G HA3 -0.113 3.847 3.960 0.001 0.000 0.223 3780 G C 0.141 174.998 174.900 -0.072 0.000 0.990 3780 G CA -0.084 44.971 45.100 -0.074 0.000 0.671 3780 G HN 0.790 nan 8.290 nan 0.000 0.521 3781 A N -0.532 122.234 122.820 -0.090 0.000 2.239 3781 A HA 0.861 5.182 4.320 0.001 0.000 0.303 3781 A C 0.408 177.936 177.584 -0.092 0.000 1.114 3781 A CA -0.061 51.925 52.037 -0.084 0.000 0.871 3781 A CB 0.813 19.753 19.000 -0.100 0.000 1.201 3781 A HN 0.360 nan 8.150 nan 0.000 0.506 3782 K N -0.142 120.211 120.400 -0.078 0.000 2.318 3782 K HA 0.550 4.870 4.320 0.001 0.000 0.249 3782 K C -0.690 175.868 176.600 -0.069 0.000 0.942 3782 K CA -0.458 55.785 56.287 -0.074 0.000 0.808 3782 K CB 2.062 34.532 32.500 -0.050 0.000 1.189 3782 K HN 0.855 nan 8.250 nan 0.000 0.428 3783 T N -1.614 112.900 114.554 -0.068 0.000 2.925 3783 T HA 0.663 5.013 4.350 0.001 0.000 0.285 3783 T C -0.016 174.701 174.700 0.029 0.000 1.021 3783 T CA -0.781 61.299 62.100 -0.032 0.000 1.042 3783 T CB 1.244 70.074 68.868 -0.064 0.000 1.037 3783 T HN 0.359 nan 8.240 nan 0.000 0.481 3784 V N -0.949 119.010 119.914 0.076 0.000 3.102 3784 V HA 0.760 4.880 4.120 0.001 0.000 0.312 3784 V C -0.663 175.491 176.094 0.099 0.000 1.135 3784 V CA -1.434 60.908 62.300 0.071 0.000 1.022 3784 V CB 1.818 33.643 31.823 0.003 0.000 1.056 3784 V HN 1.154 nan 8.190 nan 0.000 0.436 3785 K N 2.572 122.953 120.400 -0.031 0.000 2.211 3785 K HA 0.605 4.925 4.320 0.001 0.000 0.275 3785 K C -0.217 176.207 176.600 -0.292 0.000 1.024 3785 K CA -0.646 55.423 56.287 -0.364 0.000 0.887 3785 K CB 1.294 33.517 32.500 -0.461 0.000 1.084 3785 K HN 0.847 nan 8.250 nan 0.000 0.463 3786 M N 3.470 122.852 119.600 -0.364 0.000 2.226 3786 M HA 0.041 4.521 4.480 0.001 0.000 0.324 3786 M C 1.447 177.601 176.300 -0.244 0.000 1.112 3786 M CA 0.202 55.319 55.300 -0.304 0.000 1.176 3786 M CB 0.867 33.219 32.600 -0.413 0.000 1.430 3786 M HN 0.686 nan 8.290 nan 0.000 0.462 3787 K N 1.520 121.791 120.400 -0.215 0.000 2.044 3787 K HA -0.189 4.131 4.320 0.001 0.000 0.210 3787 K C 0.967 177.596 176.600 0.049 0.000 1.049 3787 K CA 2.271 58.510 56.287 -0.080 0.000 0.927 3787 K CB 0.093 32.569 32.500 -0.041 0.000 0.713 3787 K HN 0.726 nan 8.250 nan 0.000 0.443 3788 F N -3.235 116.677 119.950 -0.064 0.000 2.964 3788 F HA 0.424 4.951 4.527 0.001 0.000 0.371 3788 F C 0.328 176.075 175.800 -0.089 0.000 1.026 3788 F CA 0.022 57.993 58.000 -0.048 0.000 1.106 3788 F CB 0.268 39.292 39.000 0.039 0.000 1.135 3788 F HN 0.140 nan 8.300 nan 0.000 0.557 3789 G N 1.253 109.811 108.800 -0.403 0.000 2.760 3789 G HA2 -0.142 3.819 3.960 0.001 0.000 0.246 3789 G HA3 -0.142 3.819 3.960 0.001 0.000 0.246 3789 G C -1.253 173.342 174.900 -0.509 0.000 1.359 3789 G CA -0.334 44.407 45.100 -0.599 0.000 0.861 3789 G HN 0.823 nan 8.290 nan 0.000 0.541 3790 H N 0.046 118.567 119.070 -0.916 0.000 2.646 3790 H HA 0.584 5.141 4.556 0.001 0.000 0.328 3790 H C -0.837 174.007 175.328 -0.808 0.000 0.998 3790 H CA -0.631 55.062 56.048 -0.592 0.000 1.225 3790 H CB 1.349 30.773 29.762 -0.564 0.000 1.457 3790 H HN 0.606 nan 8.280 nan 0.000 0.505 3791 H N 2.270 121.401 119.070 0.101 0.000 2.974 3791 H HA 0.502 5.059 4.556 0.001 0.000 0.285 3791 H C -0.035 175.397 175.328 0.174 0.000 1.227 3791 H CA -0.547 55.567 56.048 0.110 0.000 1.569 3791 H CB 1.487 31.280 29.762 0.052 0.000 1.648 3791 H HN 0.927 nan 8.280 nan 0.000 0.521 3792 G N -0.161 108.801 108.800 0.270 0.000 2.430 3792 G HA2 0.431 4.391 3.960 0.001 0.000 0.300 3792 G HA3 0.431 4.391 3.960 0.001 0.000 0.300 3792 G C -0.302 174.730 174.900 0.220 0.000 1.330 3792 G CA -0.290 44.969 45.100 0.265 0.000 0.813 3792 G HN 0.526 nan 8.290 nan 0.000 0.487 3793 G N -0.582 108.339 108.800 0.201 0.000 4.100 3793 G HA2 0.395 4.355 3.960 0.001 0.000 0.294 3793 G HA3 0.395 4.355 3.960 0.001 0.000 0.294 3793 G C 0.265 175.255 174.900 0.149 0.000 1.040 3793 G CA 0.482 45.679 45.100 0.161 0.000 0.829 3793 G HN 0.984 nan 8.290 nan 0.000 0.505 3794 N N -1.024 117.788 118.700 0.187 0.000 2.377 3794 N HA 0.091 4.831 4.740 0.001 0.000 0.259 3794 N C -0.635 174.933 175.510 0.097 0.000 1.332 3794 N CA -0.685 52.455 53.050 0.150 0.000 0.877 3794 N CB -0.669 37.933 38.487 0.191 0.000 1.299 3794 N HN 0.303 nan 8.380 nan 0.000 0.501 3795 H N 2.205 121.246 119.070 -0.048 0.000 2.782 3795 H HA 0.309 4.866 4.556 0.001 0.000 0.285 3795 H C -2.264 172.823 175.328 -0.402 0.000 1.093 3795 H CA -1.631 54.213 56.048 -0.340 0.000 1.410 3795 H CB 1.032 30.680 29.762 -0.189 0.000 1.439 3795 H HN 0.082 nan 8.280 nan 0.000 0.469 3796 P HA -0.010 nan 4.420 nan 0.000 0.270 3796 P C -0.913 176.296 177.300 -0.151 0.000 1.242 3796 P CA 0.031 62.910 63.100 -0.368 0.000 0.768 3796 P CB 1.044 32.464 31.700 -0.467 0.000 0.820 3797 V N 4.992 124.922 119.914 0.027 0.000 2.487 3797 V HA 0.335 4.456 4.120 0.001 0.000 0.298 3797 V C 0.391 176.576 176.094 0.151 0.000 1.028 3797 V CA -0.715 61.660 62.300 0.124 0.000 0.860 3797 V CB 2.045 34.002 31.823 0.223 0.000 0.991 3797 V HN 0.420 nan 8.190 nan 0.000 0.427 3798 K N 3.053 123.534 120.400 0.136 0.000 2.183 3798 K HA 0.336 4.656 4.320 0.001 0.000 0.274 3798 K C -0.531 176.150 176.600 0.135 0.000 1.009 3798 K CA -0.574 55.782 56.287 0.114 0.000 0.888 3798 K CB 1.087 33.621 32.500 0.057 0.000 1.078 3798 K HN 0.724 nan 8.250 nan 0.000 0.459 3799 D N 4.914 125.352 120.400 0.064 0.000 2.393 3799 D HA -0.025 4.616 4.640 0.001 0.000 0.232 3799 D C 1.183 177.385 176.300 -0.162 0.000 1.192 3799 D CA -0.457 53.406 54.000 -0.228 0.000 0.882 3799 D CB 1.015 41.707 40.800 -0.180 0.000 1.038 3799 D HN 0.393 nan 8.370 nan 0.000 0.499 3800 V N 1.986 121.808 119.914 -0.154 0.000 2.568 3800 V HA -0.198 3.923 4.120 0.001 0.000 0.253 3800 V C 1.638 177.679 176.094 -0.088 0.000 1.072 3800 V CA 1.511 63.762 62.300 -0.082 0.000 1.084 3800 V CB -0.614 31.179 31.823 -0.051 0.000 0.676 3800 V HN 0.411 nan 8.190 nan 0.000 0.469 3801 E N 0.354 120.475 120.200 -0.132 0.000 2.107 3801 E HA -0.097 4.254 4.350 0.001 0.000 0.191 3801 E C 2.041 178.587 176.600 -0.090 0.000 0.982 3801 E CA 1.334 57.668 56.400 -0.111 0.000 0.809 3801 E CB -0.040 29.578 29.700 -0.137 0.000 0.756 3801 E HN 0.608 nan 8.360 nan 0.000 0.459 3802 K N -0.136 120.208 120.400 -0.092 0.000 2.354 3802 K HA 0.099 4.419 4.320 0.001 0.000 0.194 3802 K C 0.021 176.595 176.600 -0.042 0.000 1.038 3802 K CA 0.075 56.324 56.287 -0.063 0.000 1.052 3802 K CB 0.539 33.003 32.500 -0.059 0.000 0.861 3802 K HN -0.061 nan 8.250 nan 0.000 0.535 3803 N N 0.420 119.095 118.700 -0.042 0.000 2.756 3803 N HA -0.146 4.595 4.740 0.001 0.000 0.248 3803 N C -1.289 174.215 175.510 -0.010 0.000 1.062 3803 N CA 0.797 53.834 53.050 -0.023 0.000 0.696 3803 N CB -1.170 37.307 38.487 -0.018 0.000 0.946 3803 N HN 0.067 nan 8.380 nan 0.000 0.548 3804 V N -2.992 116.919 119.914 -0.005 0.000 2.914 3804 V HA 0.876 4.997 4.120 0.001 0.000 0.314 3804 V C 0.383 176.495 176.094 0.030 0.000 1.084 3804 V CA -1.022 61.284 62.300 0.011 0.000 0.963 3804 V CB 2.336 34.165 31.823 0.009 0.000 1.025 3804 V HN -0.047 nan 8.190 nan 0.000 0.432 3805 V N 4.533 124.465 119.914 0.031 0.000 2.435 3805 V HA 0.606 4.727 4.120 0.001 0.000 0.290 3805 V C 0.185 176.308 176.094 0.048 0.000 1.030 3805 V CA -0.417 61.907 62.300 0.039 0.000 0.881 3805 V CB 1.468 33.301 31.823 0.016 0.000 0.983 3805 V HN 1.048 nan 8.190 nan 0.000 0.445 3806 M N 4.288 123.931 119.600 0.073 0.000 2.528 3806 M HA 0.689 5.170 4.480 0.001 0.000 0.321 3806 M C -1.304 175.033 176.300 0.062 0.000 1.153 3806 M CA -0.734 54.609 55.300 0.073 0.000 0.951 3806 M CB 2.157 34.806 32.600 0.081 0.000 1.705 3806 M HN 0.223 nan 8.290 nan 0.000 0.451 3807 I N 3.433 124.035 120.570 0.054 0.000 2.312 3807 I HA 0.334 4.504 4.170 0.001 0.000 0.291 3807 I C 0.515 176.685 176.117 0.089 0.000 1.031 3807 I CA 0.170 61.498 61.300 0.046 0.000 1.293 3807 I CB 0.701 38.723 38.000 0.036 0.000 1.403 3807 I HN 0.925 nan 8.210 nan 0.000 0.484 3808 T N 2.656 117.276 114.554 0.109 0.000 2.930 3808 T HA 0.842 5.193 4.350 0.001 0.000 0.290 3808 T C -0.265 174.521 174.700 0.144 0.000 1.052 3808 T CA -0.940 61.249 62.100 0.149 0.000 1.017 3808 T CB 2.206 71.194 68.868 0.201 0.000 1.137 3808 T HN 0.614 nan 8.240 nan 0.000 0.511 3809 A N 1.967 124.877 122.820 0.148 0.000 2.289 3809 A HA 0.653 4.974 4.320 0.001 0.000 0.298 3809 A C -0.104 177.541 177.584 0.101 0.000 1.208 3809 A CA -0.657 51.463 52.037 0.138 0.000 0.845 3809 A CB 0.353 19.440 19.000 0.144 0.000 1.125 3809 A HN 0.695 nan 8.150 nan 0.000 0.517 3810 Q N 1.308 121.164 119.800 0.092 0.000 2.394 3810 Q HA 0.454 4.795 4.340 0.001 0.000 0.273 3810 Q C -1.251 174.796 176.000 0.078 0.000 1.089 3810 Q CA -0.604 55.231 55.803 0.054 0.000 0.812 3810 Q CB 2.236 30.954 28.738 -0.033 0.000 1.353 3810 Q HN 0.772 nan 8.270 nan 0.000 0.438 3811 N N 1.543 120.281 118.700 0.064 0.000 2.884 3811 N HA 0.091 4.831 4.740 0.001 0.000 0.211 3811 N C -2.100 173.385 175.510 -0.041 0.000 1.442 3811 N CA -0.180 52.863 53.050 -0.013 0.000 0.757 3811 N CB 0.135 38.613 38.487 -0.015 0.000 1.461 3811 N HN 0.769 nan 8.380 nan 0.000 0.557 3812 H N -2.263 116.601 119.070 -0.343 0.000 3.046 3812 H HA 0.624 5.180 4.556 0.001 0.000 0.363 3812 H C 0.261 175.422 175.328 -0.279 0.000 1.203 3812 H CA -0.990 54.920 56.048 -0.229 0.000 1.169 3812 H CB 1.300 30.941 29.762 -0.202 0.000 1.851 3812 H HN 0.055 nan 8.280 nan 0.000 0.546 3813 G N 1.164 109.893 108.800 -0.119 0.000 3.062 3813 G HA2 0.198 4.159 3.960 0.001 0.000 0.228 3813 G HA3 0.198 4.159 3.960 0.001 0.000 0.228 3813 G C -0.722 173.946 174.900 -0.386 0.000 1.094 3813 G CA -0.047 44.897 45.100 -0.259 0.000 0.782 3813 G HN 0.338 nan 8.290 nan 0.000 0.541 3814 F N 0.544 120.453 119.950 -0.068 0.000 2.538 3814 F HA 0.789 5.317 4.527 0.001 0.000 0.325 3814 F C 0.371 176.175 175.800 0.008 0.000 1.066 3814 F CA -1.077 56.892 58.000 -0.051 0.000 0.946 3814 F CB 2.317 41.282 39.000 -0.059 0.000 1.199 3814 F HN 0.076 nan 8.300 nan 0.000 0.473 3815 A N 0.929 123.825 122.820 0.128 0.000 2.479 3815 A HA 0.826 5.146 4.320 0.001 0.000 0.296 3815 A C -1.586 176.017 177.584 0.033 0.000 1.121 3815 A CA -0.790 51.287 52.037 0.067 0.000 0.743 3815 A CB 1.365 20.369 19.000 0.006 0.000 1.323 3815 A HN 0.472 nan 8.150 nan 0.000 0.415 3816 V N 1.819 121.743 119.914 0.018 0.000 2.465 3816 V HA 0.233 4.354 4.120 0.001 0.000 0.279 3816 V C -0.187 175.901 176.094 -0.009 0.000 1.045 3816 V CA -0.271 62.009 62.300 -0.033 0.000 0.938 3816 V CB 1.346 33.109 31.823 -0.099 0.000 0.986 3816 V HN 0.910 nan 8.190 nan 0.000 0.467 3817 D N 3.390 123.777 120.400 -0.021 0.000 2.343 3817 D HA 0.045 4.685 4.640 0.001 0.000 0.255 3817 D C 1.053 177.349 176.300 -0.006 0.000 1.187 3817 D CA 0.224 54.218 54.000 -0.010 0.000 0.875 3817 D CB 1.178 41.970 40.800 -0.014 0.000 1.136 3817 D HN 0.701 nan 8.370 nan 0.000 0.469 3818 E N 2.970 123.175 120.200 0.008 0.000 2.038 3818 E HA -0.194 4.156 4.350 0.001 0.000 0.195 3818 E C 0.882 177.486 176.600 0.006 0.000 1.000 3818 E CA 0.983 57.392 56.400 0.014 0.000 0.803 3818 E CB -0.043 29.673 29.700 0.026 0.000 0.750 3818 E HN 0.574 nan 8.360 nan 0.000 0.448 3819 A N 0.446 123.269 122.820 0.004 0.000 2.478 3819 A HA 0.000 4.321 4.320 0.001 0.000 0.239 3819 A C 0.963 178.543 177.584 -0.006 0.000 1.480 3819 A CA 1.158 53.196 52.037 0.000 0.000 1.308 3819 A CB -0.789 18.212 19.000 0.001 0.000 0.899 3819 A HN 0.401 nan 8.150 nan 0.000 0.600 3820 T N -4.827 109.721 114.554 -0.010 0.000 3.333 3820 T HA 0.151 4.502 4.350 0.001 0.000 0.289 3820 T C 0.001 174.688 174.700 -0.021 0.000 0.866 3820 T CA -0.330 61.759 62.100 -0.018 0.000 0.872 3820 T CB -0.661 68.191 68.868 -0.027 0.000 1.227 3820 T HN 0.073 nan 8.240 nan 0.000 0.676 3821 L N 4.706 125.920 121.223 -0.014 0.000 2.584 3821 L HA 0.375 4.716 4.340 0.001 0.000 0.272 3821 L C -1.988 174.877 176.870 -0.008 0.000 1.195 3821 L CA -1.291 53.542 54.840 -0.012 0.000 0.920 3821 L CB 0.047 42.109 42.059 0.004 0.000 1.173 3821 L HN 0.154 nan 8.230 nan 0.000 0.489 3822 P HA 0.092 nan 4.420 nan 0.000 0.272 3822 P C -0.056 177.246 177.300 0.003 0.000 1.240 3822 P CA -0.266 62.829 63.100 -0.009 0.000 0.791 3822 P CB 0.553 32.243 31.700 -0.015 0.000 0.978 3823 A N 1.596 124.419 122.820 0.005 0.000 2.172 3823 A HA -0.153 4.167 4.320 0.001 0.000 0.216 3823 A C 1.483 179.079 177.584 0.020 0.000 1.154 3823 A CA 1.354 53.398 52.037 0.011 0.000 0.701 3823 A CB -1.476 17.529 19.000 0.008 0.000 0.789 3823 A HN 0.807 nan 8.150 nan 0.000 0.465 3824 N N -1.265 117.448 118.700 0.021 0.000 2.336 3824 N HA 0.218 4.958 4.740 0.001 0.000 0.189 3824 N C -0.114 175.429 175.510 0.055 0.000 1.113 3824 N CA -0.160 52.911 53.050 0.035 0.000 0.858 3824 N CB 0.041 38.545 38.487 0.029 0.000 0.970 3824 N HN 0.338 nan 8.380 nan 0.000 0.471 3825 L N 2.027 123.278 121.223 0.047 0.000 2.277 3825 L HA 0.337 4.678 4.340 0.001 0.000 0.284 3825 L C -0.145 176.772 176.870 0.078 0.000 1.028 3825 L CA -0.879 54.000 54.840 0.066 0.000 0.835 3825 L CB 1.201 43.280 42.059 0.034 0.000 1.215 3825 L HN 0.266 nan 8.230 nan 0.000 0.425 3826 R N 3.600 124.169 120.500 0.114 0.000 2.349 3826 R HA 0.457 4.797 4.340 0.001 0.000 0.299 3826 R C -1.046 175.329 176.300 0.124 0.000 1.027 3826 R CA -0.612 55.545 56.100 0.095 0.000 0.958 3826 R CB 1.535 31.878 30.300 0.071 0.000 1.047 3826 R HN 0.312 nan 8.270 nan 0.000 0.468 3827 V N 4.433 124.402 119.914 0.092 0.000 2.479 3827 V HA 0.020 4.140 4.120 0.001 0.000 0.281 3827 V C 1.405 177.560 176.094 0.101 0.000 1.031 3827 V CA 0.510 62.876 62.300 0.109 0.000 1.038 3827 V CB 0.956 32.825 31.823 0.076 0.000 0.981 3827 V HN 1.066 nan 8.190 nan 0.000 0.478 3828 T N 0.472 115.126 114.554 0.166 0.000 2.971 3828 T HA 0.266 4.617 4.350 0.001 0.000 0.252 3828 T C 0.297 174.937 174.700 -0.101 0.000 1.022 3828 T CA 0.118 62.259 62.100 0.069 0.000 0.980 3828 T CB 0.091 69.093 68.868 0.223 0.000 1.044 3828 T HN 0.689 nan 8.240 nan 0.000 0.501 3829 H N -0.281 118.870 119.070 0.135 0.000 3.079 3829 H HA 0.770 5.326 4.556 0.001 0.000 0.356 3829 H C -1.224 174.151 175.328 0.079 0.000 1.221 3829 H CA -0.830 55.299 56.048 0.135 0.000 1.185 3829 H CB 1.781 31.699 29.762 0.260 0.000 1.882 3829 H HN 0.060 nan 8.280 nan 0.000 0.543 3830 K N 0.223 120.739 120.400 0.193 0.000 2.512 3830 K HA 0.541 4.861 4.320 0.001 0.000 0.263 3830 K C -0.772 175.897 176.600 0.116 0.000 0.966 3830 K CA -0.964 55.395 56.287 0.120 0.000 0.851 3830 K CB 2.744 35.299 32.500 0.091 0.000 1.395 3830 K HN 0.475 nan 8.250 nan 0.000 0.440 3831 S N 1.201 116.975 115.700 0.123 0.000 2.548 3831 S HA 0.159 4.630 4.470 0.001 0.000 0.277 3831 S C 0.532 175.187 174.600 0.091 0.000 1.315 3831 S CA -0.423 57.872 58.200 0.159 0.000 1.050 3831 S CB 0.414 63.823 63.200 0.348 0.000 0.918 3831 S HN 0.495 nan 8.310 nan 0.000 0.497 3832 L N 4.715 125.925 121.223 -0.022 0.000 2.509 3832 L HA 0.338 4.678 4.340 0.001 0.000 0.222 3832 L C 1.276 178.183 176.870 0.063 0.000 1.123 3832 L CA 0.899 55.725 54.840 -0.023 0.000 0.856 3832 L CB -0.800 41.205 42.059 -0.090 0.000 0.985 3832 L HN 0.701 nan 8.230 nan 0.000 0.456 3833 F N 0.326 120.196 119.950 -0.134 0.000 2.270 3833 F HA -0.024 4.503 4.527 0.001 0.000 0.295 3833 F C 1.741 177.527 175.800 -0.024 0.000 1.087 3833 F CA 1.058 58.961 58.000 -0.162 0.000 1.365 3833 F CB -0.237 38.523 39.000 -0.400 0.000 1.056 3833 F HN 0.342 nan 8.300 nan 0.000 0.506 3834 D N -3.365 117.191 120.400 0.260 0.000 2.516 3834 D HA 0.216 4.857 4.640 0.001 0.000 0.241 3834 D C 1.496 177.882 176.300 0.144 0.000 1.246 3834 D CA 0.761 54.874 54.000 0.190 0.000 0.808 3834 D CB -0.036 40.883 40.800 0.199 0.000 1.147 3834 D HN 0.239 nan 8.370 nan 0.000 0.527 3835 G N 0.675 109.559 108.800 0.140 0.000 2.179 3835 G HA2 -0.280 3.681 3.960 0.001 0.000 0.260 3835 G HA3 -0.280 3.681 3.960 0.001 0.000 0.260 3835 G C 0.539 175.499 174.900 0.100 0.000 0.977 3835 G CA 0.597 45.758 45.100 0.102 0.000 0.641 3835 G HN 0.872 nan 8.290 nan 0.000 0.533 3836 T N -1.053 113.584 114.554 0.138 0.000 2.898 3836 T HA 0.573 4.923 4.350 0.001 0.000 0.301 3836 T C 0.600 175.355 174.700 0.091 0.000 1.049 3836 T CA -0.283 61.884 62.100 0.112 0.000 1.095 3836 T CB 2.116 71.052 68.868 0.114 0.000 0.976 3836 T HN 1.002 nan 8.240 nan 0.000 0.539 3837 L N 2.230 123.489 121.223 0.060 0.000 2.455 3837 L HA 0.212 4.553 4.340 0.001 0.000 0.272 3837 L C 1.086 177.935 176.870 -0.035 0.000 1.174 3837 L CA 0.613 55.483 54.840 0.051 0.000 0.869 3837 L CB 0.334 42.438 42.059 0.075 0.000 1.130 3837 L HN 0.719 nan 8.230 nan 0.000 0.474 3838 Q N 3.578 123.336 119.800 -0.071 0.000 2.245 3838 Q HA 0.396 4.737 4.340 0.001 0.000 0.250 3838 Q C 0.143 175.882 176.000 -0.435 0.000 0.830 3838 Q CA 0.527 56.116 55.803 -0.357 0.000 0.950 3838 Q CB 1.499 30.071 28.738 -0.277 0.000 1.124 3838 Q HN 0.823 nan 8.270 nan 0.000 0.502 3839 G N 1.270 110.087 108.800 0.028 0.000 2.742 3839 G HA2 0.617 4.578 3.960 0.001 0.000 0.296 3839 G HA3 0.617 4.578 3.960 0.001 0.000 0.296 3839 G C -1.152 173.971 174.900 0.372 0.000 1.436 3839 G CA -0.571 44.685 45.100 0.261 0.000 0.928 3839 G HN 0.093 nan 8.290 nan 0.000 0.520 3840 I N -1.396 119.420 120.570 0.409 0.000 2.994 3840 I HA 0.755 4.926 4.170 0.001 0.000 0.306 3840 I C -1.552 174.787 176.117 0.369 0.000 1.195 3840 I CA -1.191 60.301 61.300 0.320 0.000 1.001 3840 I CB 3.008 41.129 38.000 0.202 0.000 1.244 3840 I HN 0.549 nan 8.210 nan 0.000 0.437 3841 H N 2.979 122.178 119.070 0.214 0.000 2.966 3841 H HA 0.451 5.007 4.556 0.001 0.000 0.347 3841 H C -1.181 174.227 175.328 0.134 0.000 1.048 3841 H CA -0.726 55.453 56.048 0.217 0.000 1.295 3841 H CB 2.301 32.175 29.762 0.187 0.000 1.744 3841 H HN 0.556 nan 8.280 nan 0.000 0.513 3842 R N 2.181 122.853 120.500 0.286 0.000 2.421 3842 R HA 0.021 4.362 4.340 0.001 0.000 0.305 3842 R C 1.208 177.700 176.300 0.322 0.000 1.039 3842 R CA 0.394 56.627 56.100 0.220 0.000 1.003 3842 R CB 0.396 30.766 30.300 0.116 0.000 0.959 3842 R HN 0.796 nan 8.270 nan 0.000 0.427 3843 T N -1.925 112.737 114.554 0.180 0.000 3.085 3843 T HA -0.087 4.263 4.350 0.001 0.000 0.263 3843 T C 0.767 175.522 174.700 0.091 0.000 1.127 3843 T CA 1.012 63.179 62.100 0.113 0.000 1.103 3843 T CB 0.085 68.990 68.868 0.062 0.000 0.921 3843 T HN 0.582 nan 8.240 nan 0.000 0.510 3844 D N -0.569 119.889 120.400 0.097 0.000 2.469 3844 D HA 0.193 4.833 4.640 0.001 0.000 0.213 3844 D C 0.349 176.700 176.300 0.085 0.000 1.135 3844 D CA -0.274 53.770 54.000 0.074 0.000 0.834 3844 D CB 0.410 41.242 40.800 0.053 0.000 1.009 3844 D HN 0.204 nan 8.370 nan 0.000 0.507 3845 K N 0.691 121.160 120.400 0.114 0.000 2.536 3845 K HA 0.328 4.649 4.320 0.001 0.000 0.269 3845 K C -2.828 173.860 176.600 0.147 0.000 0.965 3845 K CA -1.617 54.733 56.287 0.105 0.000 0.860 3845 K CB 2.443 34.987 32.500 0.073 0.000 1.423 3845 K HN -0.271 nan 8.250 nan 0.000 0.438 3846 P HA 0.124 nan 4.420 nan 0.000 0.232 3846 P C -1.051 176.305 177.300 0.093 0.000 1.738 3846 P CA 0.032 63.204 63.100 0.121 0.000 0.948 3846 P CB -0.278 31.461 31.700 0.064 0.000 1.943 3847 A N 1.984 124.831 122.820 0.045 0.000 2.374 3847 A HA 0.792 5.112 4.320 0.001 0.000 0.305 3847 A C -0.903 176.633 177.584 -0.080 0.000 1.053 3847 A CA -0.536 51.519 52.037 0.029 0.000 0.726 3847 A CB 1.365 20.376 19.000 0.018 0.000 1.229 3847 A HN 0.237 nan 8.150 nan 0.000 0.431 3848 F N 0.177 119.978 119.950 -0.248 0.000 2.713 3848 F HA 0.875 5.402 4.527 0.001 0.000 0.311 3848 F C -0.487 175.384 175.800 0.119 0.000 1.141 3848 F CA -0.614 57.281 58.000 -0.174 0.000 0.939 3848 F CB 1.136 39.955 39.000 -0.301 0.000 1.325 3848 F HN 1.045 nan 8.300 nan 0.000 0.453 3849 S N 1.027 116.798 115.700 0.117 0.000 2.588 3849 S HA 0.799 5.270 4.470 0.001 0.000 0.269 3849 S C -2.167 172.596 174.600 0.271 0.000 1.157 3849 S CA -0.685 57.549 58.200 0.056 0.000 0.824 3849 S CB 2.070 65.272 63.200 0.002 0.000 1.126 3849 S HN 1.176 nan 8.310 nan 0.000 0.464 3850 F N 1.452 121.305 119.950 -0.161 0.000 2.529 3850 F HA 0.595 5.122 4.527 0.001 0.000 0.320 3850 F C 1.037 176.462 175.800 -0.625 0.000 1.118 3850 F CA -0.802 56.970 58.000 -0.381 0.000 0.915 3850 F CB 2.485 41.348 39.000 -0.228 0.000 1.161 3850 F HN 0.800 nan 8.300 nan 0.000 0.445 3851 Q N 3.506 122.423 119.800 -1.471 0.000 2.119 3851 Q HA 0.171 4.511 4.340 0.001 0.000 0.201 3851 Q C 1.058 176.476 176.000 -0.969 0.000 0.972 3851 Q CA 1.598 56.653 55.803 -1.247 0.000 0.847 3851 Q CB -0.393 27.630 28.738 -1.190 0.000 0.903 3851 Q HN 0.869 nan 8.270 nan 0.000 0.433 3852 G N -0.496 107.599 108.800 -1.174 0.000 2.494 3852 G HA2 0.240 4.201 3.960 0.001 0.000 0.270 3852 G HA3 0.240 4.201 3.960 0.001 0.000 0.270 3852 G C -0.874 174.012 174.900 -0.024 0.000 1.423 3852 G CA -0.622 44.205 45.100 -0.456 0.000 1.055 3852 G HN 0.334 nan 8.290 nan 0.000 0.536 3853 N N 0.732 119.519 118.700 0.144 0.000 2.706 3853 N HA 0.346 5.086 4.740 0.001 0.000 0.240 3853 N C -1.996 173.646 175.510 0.221 0.000 1.039 3853 N CA -1.271 51.876 53.050 0.162 0.000 0.888 3853 N CB 2.576 41.127 38.487 0.106 0.000 1.128 3853 N HN 0.097 nan 8.380 nan 0.000 0.512 3854 P HA -0.199 nan 4.420 nan 0.000 0.219 3854 P C 1.046 178.545 177.300 0.331 0.000 1.146 3854 P CA 1.126 64.345 63.100 0.199 0.000 0.808 3854 P CB 0.307 32.036 31.700 0.048 0.000 0.779 3855 E N 0.090 120.511 120.200 0.368 0.000 2.511 3855 E HA -0.011 4.339 4.350 0.001 0.000 0.196 3855 E C 1.145 177.816 176.600 0.118 0.000 1.066 3855 E CA 0.805 57.348 56.400 0.238 0.000 0.871 3855 E CB -0.829 28.996 29.700 0.209 0.000 0.863 3855 E HN 0.071 nan 8.360 nan 0.000 0.520 3856 A N 1.321 124.233 122.820 0.154 0.000 5.264 3856 A HA -0.391 3.929 4.320 0.001 0.000 0.342 3856 A C 1.024 178.675 177.584 0.110 0.000 1.706 3856 A CA 2.702 54.826 52.037 0.146 0.000 0.706 3856 A CB -1.947 17.167 19.000 0.190 0.000 1.455 3856 A HN 0.945 nan 8.150 nan 0.000 0.402 3857 S N -0.294 115.465 115.700 0.099 0.000 3.386 3857 S HA -0.059 4.411 4.470 0.001 0.000 0.403 3857 S C -1.711 172.925 174.600 0.060 0.000 0.893 3857 S CA 0.939 59.171 58.200 0.054 0.000 1.336 3857 S CB -0.856 62.364 63.200 0.033 0.000 0.925 3857 S HN 1.017 nan 8.310 nan 0.000 0.589 3858 P HA 0.815 nan 4.420 nan 0.000 0.286 3858 P C 0.542 177.899 177.300 0.095 0.000 1.292 3858 P CA 0.528 63.660 63.100 0.053 0.000 0.842 3858 P CB 1.377 33.093 31.700 0.026 0.000 1.207 3859 G N -0.830 108.025 108.800 0.092 0.000 2.353 3859 G HA2 0.072 4.033 3.960 0.001 0.000 0.615 3859 G HA3 0.072 4.033 3.960 0.001 0.000 0.615 3859 G C -3.229 171.749 174.900 0.130 0.000 1.280 3859 G CA -0.908 44.257 45.100 0.107 0.000 1.000 3859 G HN 0.489 nan 8.290 nan 0.000 0.516 3860 P HA 0.304 nan 4.420 nan 0.000 0.269 3860 P C 0.236 177.671 177.300 0.226 0.000 1.209 3860 P CA 0.020 63.175 63.100 0.091 0.000 0.776 3860 P CB 0.130 31.876 31.700 0.077 0.000 0.876 3861 H N -0.151 118.958 119.070 0.064 0.000 2.539 3861 H HA -0.020 4.536 4.556 0.001 0.000 0.267 3861 H C 0.662 176.029 175.328 0.065 0.000 0.982 3861 H CA -0.156 55.933 56.048 0.069 0.000 1.146 3861 H CB 0.086 29.886 29.762 0.064 0.000 1.382 3861 H HN 0.423 nan 8.280 nan 0.000 0.577 3862 D N 1.486 121.983 120.400 0.161 0.000 2.190 3862 D HA -0.156 4.484 4.640 0.001 0.000 0.200 3862 D C 1.980 178.323 176.300 0.071 0.000 0.992 3862 D CA 1.146 55.209 54.000 0.105 0.000 0.854 3862 D CB -0.064 40.783 40.800 0.078 0.000 0.936 3862 D HN 0.463 nan 8.370 nan 0.000 0.462 3863 A N 0.170 123.025 122.820 0.059 0.000 2.275 3863 A HA 0.438 4.759 4.320 0.001 0.000 0.212 3863 A C 2.130 179.710 177.584 -0.006 0.000 1.201 3863 A CA 0.770 52.767 52.037 -0.068 0.000 0.843 3863 A CB -0.118 18.738 19.000 -0.240 0.000 0.873 3863 A HN 0.153 nan 8.150 nan 0.000 0.492 3864 A N 1.572 124.465 122.820 0.121 0.000 1.986 3864 A HA -0.086 4.234 4.320 0.001 0.000 0.220 3864 A C -0.072 177.658 177.584 0.244 0.000 1.171 3864 A CA 1.880 54.061 52.037 0.239 0.000 0.640 3864 A CB -1.398 17.686 19.000 0.140 0.000 0.811 3864 A HN 0.454 nan 8.150 nan 0.000 0.451 3865 P HA -0.055 nan 4.420 nan 0.000 0.231 3865 P C 1.150 178.494 177.300 0.073 0.000 1.158 3865 P CA 0.509 63.668 63.100 0.098 0.000 0.763 3865 P CB -0.131 31.603 31.700 0.056 0.000 0.805 3866 L N -2.389 118.835 121.223 0.002 0.000 2.201 3866 L HA -0.092 4.249 4.340 0.001 0.000 0.212 3866 L C 2.182 178.973 176.870 -0.132 0.000 1.105 3866 L CA 1.242 56.038 54.840 -0.073 0.000 0.775 3866 L CB -0.787 41.125 42.059 -0.246 0.000 0.913 3866 L HN -0.127 nan 8.230 nan 0.000 0.440 3867 F N 0.252 120.217 119.950 0.026 0.000 2.095 3867 F HA -0.276 4.252 4.527 0.001 0.000 0.298 3867 F C 2.315 178.147 175.800 0.055 0.000 1.104 3867 F CA 1.633 59.669 58.000 0.060 0.000 1.232 3867 F CB -0.486 38.571 39.000 0.096 0.000 0.987 3867 F HN 0.197 nan 8.300 nan 0.000 0.475 3868 D N -1.470 119.067 120.400 0.227 0.000 2.218 3868 D HA -0.219 4.421 4.640 0.001 0.000 0.204 3868 D C 1.917 178.274 176.300 0.095 0.000 0.976 3868 D CA 1.415 55.497 54.000 0.137 0.000 0.853 3868 D CB -0.646 40.218 40.800 0.106 0.000 0.939 3868 D HN 0.369 nan 8.370 nan 0.000 0.481 3869 H N 0.367 119.407 119.070 -0.050 0.000 2.389 3869 H HA -0.126 4.431 4.556 0.001 0.000 0.299 3869 H C 1.764 177.028 175.328 -0.108 0.000 1.081 3869 H CA 1.014 56.955 56.048 -0.178 0.000 1.345 3869 H CB -0.577 28.946 29.762 -0.399 0.000 1.393 3869 H HN 0.056 nan 8.280 nan 0.000 0.520 3870 F N 0.867 120.642 119.950 -0.292 0.000 2.134 3870 F HA -0.126 4.402 4.527 0.001 0.000 0.299 3870 F C 1.996 177.686 175.800 -0.183 0.000 1.097 3870 F CA 0.982 58.861 58.000 -0.200 0.000 1.264 3870 F CB -0.482 38.397 39.000 -0.202 0.000 1.001 3870 F HN 0.159 nan 8.300 nan 0.000 0.479 3871 I N 0.533 120.973 120.570 -0.217 0.000 2.286 3871 I HA -0.250 3.920 4.170 0.001 0.000 0.248 3871 I C 2.281 178.193 176.117 -0.342 0.000 1.115 3871 I CA 1.273 62.346 61.300 -0.379 0.000 1.392 3871 I CB -1.483 36.419 38.000 -0.162 0.000 1.065 3871 I HN 0.280 nan 8.210 nan 0.000 0.418 3872 E N 0.898 120.990 120.200 -0.180 0.000 2.023 3872 E HA -0.212 4.138 4.350 0.001 0.000 0.196 3872 E C 2.425 178.935 176.600 -0.151 0.000 1.003 3872 E CA 1.182 57.515 56.400 -0.111 0.000 0.809 3872 E CB -0.186 29.520 29.700 0.011 0.000 0.755 3872 E HN 0.387 nan 8.360 nan 0.000 0.449 3873 L N 0.742 121.846 121.223 -0.198 0.000 2.043 3873 L HA -0.262 4.079 4.340 0.001 0.000 0.212 3873 L C 2.515 179.297 176.870 -0.146 0.000 1.075 3873 L CA 1.099 55.851 54.840 -0.147 0.000 0.752 3873 L CB -0.529 41.434 42.059 -0.161 0.000 0.891 3873 L HN 0.247 nan 8.230 nan 0.000 0.432 3874 I N -0.325 120.053 120.570 -0.319 0.000 2.179 3874 I HA -0.305 3.866 4.170 0.001 0.000 0.242 3874 I C 2.509 178.486 176.117 -0.233 0.000 1.088 3874 I CA 1.424 62.510 61.300 -0.358 0.000 1.357 3874 I CB -0.292 37.261 38.000 -0.746 0.000 1.051 3874 I HN 0.296 nan 8.210 nan 0.000 0.409 3875 E N 0.381 120.400 120.200 -0.301 0.000 2.058 3875 E HA -0.339 4.011 4.350 0.001 0.000 0.194 3875 E C 2.149 178.723 176.600 -0.044 0.000 0.997 3875 E CA 1.783 58.093 56.400 -0.150 0.000 0.801 3875 E CB -0.184 29.453 29.700 -0.106 0.000 0.746 3875 E HN 0.528 nan 8.360 nan 0.000 0.450 3876 Q N 0.133 119.914 119.800 -0.031 0.000 2.061 3876 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 3876 Q C 2.110 178.141 176.000 0.051 0.000 0.984 3876 Q CA 1.656 57.467 55.803 0.013 0.000 0.846 3876 Q CB -0.423 28.329 28.738 0.023 0.000 0.902 3876 Q HN 0.422 nan 8.270 nan 0.000 0.421 3877 Y N 0.817 121.080 120.300 -0.061 0.000 2.352 3877 Y HA -0.051 4.500 4.550 0.001 0.000 0.292 3877 Y C 1.799 177.685 175.900 -0.023 0.000 1.136 3877 Y CA 1.475 59.553 58.100 -0.037 0.000 1.227 3877 Y CB 0.115 38.548 38.460 -0.046 0.000 0.991 3877 Y HN 0.061 nan 8.280 nan 0.000 0.545 3878 R N -0.080 120.384 120.500 -0.059 0.000 2.200 3878 R HA -0.037 4.304 4.340 0.001 0.000 0.208 3878 R C 2.246 178.485 176.300 -0.101 0.000 1.033 3878 R CA 0.652 56.682 56.100 -0.118 0.000 1.000 3878 R CB -0.072 30.238 30.300 0.017 0.000 0.906 3878 R HN 0.228 nan 8.270 nan 0.000 0.462 3879 K N 0.186 120.551 120.400 -0.058 0.000 2.063 3879 K HA -0.071 4.250 4.320 0.001 0.000 0.208 3879 K C 0.450 177.013 176.600 -0.062 0.000 1.048 3879 K CA 1.325 57.589 56.287 -0.038 0.000 0.928 3879 K CB 0.087 32.578 32.500 -0.015 0.000 0.713 3879 K HN 0.143 nan 8.250 nan 0.000 0.442 3880 T N 0.000 114.496 114.554 -0.097 0.000 3.816 3880 T HA 0.000 4.351 4.350 0.001 0.000 0.228 3880 T CA 0.000 62.036 62.100 -0.107 0.000 1.349 3880 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 3880 T HN 0.000 nan 8.240 nan 0.000 0.658