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 2d1z_1_B DATA FIRST_RESID 501 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVSHAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 501 A HA 0.000 nan 4.320 nan 0.000 0.244 501 A C 0.000 177.579 177.584 -0.009 0.000 1.274 501 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 501 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 502 E N 0.252 120.445 120.200 -0.012 0.000 3.029 502 E HA 0.309 4.659 4.350 -0.000 0.000 0.196 502 E C 0.310 176.898 176.600 -0.019 0.000 0.973 502 E CA 0.647 57.035 56.400 -0.020 0.000 1.242 502 E CB 0.436 30.123 29.700 -0.020 0.000 1.056 502 E HN 0.528 nan 8.360 nan 0.000 0.469 503 S N -0.177 115.519 115.700 -0.007 0.000 2.524 503 S HA 0.072 4.542 4.470 -0.000 0.000 0.215 503 S C 0.876 175.499 174.600 0.038 0.000 0.986 503 S CA 0.319 58.527 58.200 0.014 0.000 0.911 503 S CB 0.093 63.300 63.200 0.012 0.000 0.805 503 S HN 0.324 nan 8.310 nan 0.000 0.501 504 T N -1.159 113.398 114.554 0.004 0.000 2.916 504 T HA 0.647 4.997 4.350 -0.000 0.000 0.292 504 T C 0.875 175.520 174.700 -0.092 0.000 1.055 504 T CA -0.957 61.144 62.100 0.002 0.000 1.009 504 T CB 1.207 70.062 68.868 -0.023 0.000 1.118 504 T HN 0.006 nan 8.240 nan 0.000 0.497 505 L N 1.293 122.403 121.223 -0.188 0.000 2.012 505 L HA 0.071 4.411 4.340 -0.000 0.000 0.210 505 L C 2.996 179.799 176.870 -0.113 0.000 1.073 505 L CA 1.910 56.528 54.840 -0.370 0.000 0.748 505 L CB -1.097 40.535 42.059 -0.711 0.000 0.891 505 L HN 0.981 nan 8.230 nan 0.000 0.431 506 G N -0.397 108.410 108.800 0.012 0.000 2.421 506 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 506 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 506 G C 1.760 176.715 174.900 0.092 0.000 1.171 506 G CA 0.854 46.045 45.100 0.152 0.000 0.775 506 G HN 0.473 nan 8.290 nan 0.000 0.543 507 A N 0.957 123.795 122.820 0.031 0.000 1.969 507 A HA 0.339 4.659 4.320 -0.000 0.000 0.218 507 A C 2.771 180.362 177.584 0.013 0.000 1.169 507 A CA 2.091 54.141 52.037 0.021 0.000 0.635 507 A CB -0.619 18.382 19.000 0.002 0.000 0.810 507 A HN 0.737 nan 8.150 nan 0.000 0.445 508 A N -0.092 122.720 122.820 -0.013 0.000 1.898 508 A HA 0.221 4.541 4.320 -0.000 0.000 0.216 508 A C 2.484 180.074 177.584 0.010 0.000 1.181 508 A CA 1.836 53.858 52.037 -0.025 0.000 0.620 508 A CB -0.965 17.985 19.000 -0.084 0.000 0.819 508 A HN 1.011 nan 8.150 nan 0.000 0.442 509 A N -0.058 122.793 122.820 0.052 0.000 1.933 509 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 509 A C 2.414 180.043 177.584 0.075 0.000 1.175 509 A CA 1.913 54.010 52.037 0.101 0.000 0.628 509 A CB -0.909 18.222 19.000 0.219 0.000 0.814 509 A HN 1.086 nan 8.150 nan 0.000 0.444 510 A N -0.774 122.092 122.820 0.076 0.000 2.070 510 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 510 A C 1.948 179.556 177.584 0.039 0.000 1.159 510 A CA 1.384 53.460 52.037 0.064 0.000 0.656 510 A CB -0.489 18.548 19.000 0.061 0.000 0.800 510 A HN 0.673 nan 8.150 nan 0.000 0.453 511 Q N -0.095 119.722 119.800 0.027 0.000 2.500 511 Q HA -0.065 4.275 4.340 -0.000 0.000 0.213 511 Q C 1.359 177.368 176.000 0.015 0.000 0.974 511 Q CA 1.204 57.016 55.803 0.016 0.000 0.918 511 Q CB -0.068 28.673 28.738 0.006 0.000 0.980 511 Q HN 0.790 nan 8.270 nan 0.000 0.505 512 S N -2.460 113.252 115.700 0.019 0.000 2.749 512 S HA 0.362 4.832 4.470 -0.000 0.000 0.246 512 S C 0.991 175.601 174.600 0.017 0.000 1.023 512 S CA 0.060 58.268 58.200 0.013 0.000 1.012 512 S CB 1.003 64.208 63.200 0.008 0.000 0.942 512 S HN 0.374 nan 8.310 nan 0.000 0.531 513 G N 1.537 110.354 108.800 0.028 0.000 2.153 513 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 513 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 513 G C 0.058 174.986 174.900 0.046 0.000 0.994 513 G CA 0.214 45.337 45.100 0.038 0.000 0.698 513 G HN 0.641 nan 8.290 nan 0.000 0.521 514 R N -1.193 119.329 120.500 0.037 0.000 2.875 514 R HA 0.728 5.067 4.340 -0.000 0.000 0.251 514 R C 0.031 176.382 176.300 0.085 0.000 1.123 514 R CA -0.716 55.383 56.100 -0.003 0.000 1.064 514 R CB 0.901 31.150 30.300 -0.085 0.000 1.205 514 R HN 0.453 nan 8.270 nan 0.000 0.503 515 Y N -1.469 118.886 120.300 0.091 0.000 2.587 515 Y HA 0.701 5.251 4.550 -0.000 0.000 0.337 515 Y C -1.160 174.845 175.900 0.176 0.000 1.065 515 Y CA -1.692 56.481 58.100 0.121 0.000 1.126 515 Y CB 1.078 39.585 38.460 0.077 0.000 1.279 515 Y HN 0.425 nan 8.280 nan 0.000 0.489 516 F N 1.406 121.595 119.950 0.399 0.000 2.612 516 F HA 0.756 5.283 4.527 -0.000 0.000 0.332 516 F C -0.050 176.077 175.800 0.546 0.000 1.167 516 F CA -0.763 57.466 58.000 0.382 0.000 0.970 516 F CB 1.443 40.597 39.000 0.257 0.000 1.234 516 F HN 0.948 nan 8.300 nan 0.000 0.453 517 G N 1.989 110.993 108.800 0.341 0.000 2.932 517 G HA2 0.641 4.601 3.960 -0.000 0.000 0.283 517 G HA3 0.641 4.601 3.960 -0.000 0.000 0.283 517 G C -1.302 173.465 174.900 -0.220 0.000 1.336 517 G CA -0.686 44.535 45.100 0.202 0.000 1.056 517 G HN 0.617 nan 8.290 nan 0.000 0.522 518 T N -2.048 112.214 114.554 -0.486 0.000 2.787 518 T HA 0.627 4.977 4.350 -0.000 0.000 0.297 518 T C -1.005 173.424 174.700 -0.452 0.000 1.221 518 T CA 0.186 61.873 62.100 -0.688 0.000 1.006 518 T CB 1.359 69.371 68.868 -1.426 0.000 1.328 518 T HN 1.234 nan 8.240 nan 0.000 0.509 519 A N 2.688 125.182 122.820 -0.544 0.000 2.290 519 A HA 0.723 5.043 4.320 -0.000 0.000 0.310 519 A C -0.498 176.785 177.584 -0.502 0.000 1.202 519 A CA -0.568 51.031 52.037 -0.730 0.000 0.837 519 A CB 0.124 18.155 19.000 -1.615 0.000 1.139 519 A HN 0.654 nan 8.150 nan 0.000 0.509 520 I N 1.824 122.177 120.570 -0.361 0.000 2.404 520 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 520 I C 0.487 176.494 176.117 -0.182 0.000 0.992 520 I CA -0.274 60.889 61.300 -0.229 0.000 1.149 520 I CB 1.414 39.271 38.000 -0.240 0.000 1.315 520 I HN 0.712 nan 8.210 nan 0.000 0.446 521 A N 4.188 126.933 122.820 -0.124 0.000 2.271 521 A HA 0.456 4.776 4.320 -0.000 0.000 0.317 521 A C 1.070 178.551 177.584 -0.172 0.000 1.245 521 A CA -0.234 51.706 52.037 -0.161 0.000 0.857 521 A CB 0.697 19.575 19.000 -0.203 0.000 1.175 521 A HN 0.843 nan 8.150 nan 0.000 0.512 522 S N 2.690 118.325 115.700 -0.109 0.000 2.387 522 S HA -0.152 4.318 4.470 -0.000 0.000 0.230 522 S C 1.752 176.282 174.600 -0.118 0.000 1.035 522 S CA 1.711 59.859 58.200 -0.087 0.000 1.014 522 S CB -0.692 62.500 63.200 -0.014 0.000 0.836 522 S HN 1.243 nan 8.310 nan 0.000 0.466 523 G N 1.177 109.901 108.800 -0.127 0.000 2.625 523 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.214 523 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.214 523 G C 1.323 176.096 174.900 -0.212 0.000 1.132 523 G CA 0.284 45.304 45.100 -0.133 0.000 0.782 523 G HN 0.625 nan 8.290 nan 0.000 0.538 524 K N -0.325 119.866 120.400 -0.348 0.000 2.358 524 K HA 0.336 4.656 4.320 -0.000 0.000 0.197 524 K C 1.689 178.016 176.600 -0.454 0.000 1.025 524 K CA -0.326 55.616 56.287 -0.575 0.000 1.104 524 K CB 0.306 32.084 32.500 -1.203 0.000 0.855 524 K HN 0.215 nan 8.250 nan 0.000 0.531 525 L N 0.392 121.456 121.223 -0.265 0.000 2.549 525 L HA -0.042 4.298 4.340 -0.000 0.000 0.229 525 L C 1.841 178.674 176.870 -0.061 0.000 1.158 525 L CA 0.788 55.524 54.840 -0.173 0.000 0.842 525 L CB -0.193 41.737 42.059 -0.214 0.000 0.952 525 L HN 0.285 nan 8.230 nan 0.000 0.452 526 G N -1.811 106.946 108.800 -0.071 0.000 3.042 526 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.212 526 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.212 526 G C 0.230 175.120 174.900 -0.017 0.000 1.166 526 G CA -0.205 44.880 45.100 -0.024 0.000 0.767 526 G HN 0.132 nan 8.290 nan 0.000 0.546 527 D N 0.660 121.039 120.400 -0.035 0.000 2.411 527 D HA 0.282 4.922 4.640 -0.000 0.000 0.225 527 D C 1.290 177.630 176.300 0.067 0.000 1.156 527 D CA -0.172 53.824 54.000 -0.006 0.000 0.874 527 D CB 1.233 41.994 40.800 -0.065 0.000 1.034 527 D HN -0.047 nan 8.370 nan 0.000 0.502 528 S N 2.547 118.279 115.700 0.053 0.000 2.383 528 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 528 S C 1.913 176.551 174.600 0.063 0.000 1.030 528 S CA 1.290 59.528 58.200 0.063 0.000 1.002 528 S CB 0.068 63.294 63.200 0.042 0.000 0.829 528 S HN 0.692 nan 8.310 nan 0.000 0.467 529 A N 0.255 123.108 122.820 0.055 0.000 1.898 529 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 529 A C 1.922 179.533 177.584 0.046 0.000 1.181 529 A CA 1.407 53.467 52.037 0.037 0.000 0.620 529 A CB -0.869 18.151 19.000 0.033 0.000 0.819 529 A HN 0.581 nan 8.150 nan 0.000 0.442 530 Y N 1.850 122.111 120.300 -0.064 0.000 2.114 530 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 530 Y C 2.930 178.782 175.900 -0.080 0.000 1.143 530 Y CA 2.797 60.840 58.100 -0.095 0.000 1.135 530 Y CB -0.695 37.694 38.460 -0.119 0.000 0.980 530 Y HN 0.433 nan 8.280 nan 0.000 0.499 531 T N -3.629 110.978 114.554 0.087 0.000 2.867 531 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 531 T C 1.803 176.583 174.700 0.133 0.000 1.057 531 T CA 1.686 63.848 62.100 0.104 0.000 1.136 531 T CB -1.034 67.993 68.868 0.265 0.000 0.874 531 T HN 0.346 nan 8.240 nan 0.000 0.466 532 T N 2.102 116.688 114.554 0.053 0.000 2.708 532 T HA 0.093 4.443 4.350 -0.000 0.000 0.266 532 T C 1.886 176.554 174.700 -0.053 0.000 1.037 532 T CA 1.357 63.466 62.100 0.015 0.000 1.146 532 T CB -0.417 68.448 68.868 -0.006 0.000 0.865 532 T HN 0.411 nan 8.240 nan 0.000 0.435 533 I N 1.128 121.606 120.570 -0.152 0.000 2.202 533 I HA -0.129 4.040 4.170 -0.000 0.000 0.242 533 I C 2.935 178.922 176.117 -0.217 0.000 1.091 533 I CA 1.068 62.178 61.300 -0.316 0.000 1.368 533 I CB -0.502 37.140 38.000 -0.598 0.000 1.058 533 I HN 0.176 nan 8.210 nan 0.000 0.410 534 A N -0.203 122.542 122.820 -0.124 0.000 1.908 534 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 534 A C 2.499 180.313 177.584 0.383 0.000 1.181 534 A CA 2.358 54.496 52.037 0.169 0.000 0.627 534 A CB -0.860 18.040 19.000 -0.168 0.000 0.818 534 A HN 0.396 nan 8.150 nan 0.000 0.445 535 S N -1.037 114.865 115.700 0.337 0.000 2.383 535 S HA -0.162 4.308 4.470 -0.000 0.000 0.227 535 S C 2.209 176.819 174.600 0.018 0.000 1.026 535 S CA 1.424 59.709 58.200 0.143 0.000 0.981 535 S CB -0.347 62.884 63.200 0.052 0.000 0.818 535 S HN 0.627 nan 8.310 nan 0.000 0.472 536 R N 0.293 120.784 120.500 -0.016 0.000 2.073 536 R HA 0.019 4.359 4.340 -0.000 0.000 0.229 536 R C 1.753 177.988 176.300 -0.108 0.000 1.120 536 R CA 1.463 57.525 56.100 -0.063 0.000 0.967 536 R CB -0.107 30.148 30.300 -0.074 0.000 0.862 536 R HN 0.352 nan 8.270 nan 0.000 0.436 537 E N -0.490 119.568 120.200 -0.238 0.000 2.318 537 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 537 E C -0.274 175.986 176.600 -0.567 0.000 0.998 537 E CA 0.448 56.562 56.400 -0.476 0.000 0.859 537 E CB 0.306 29.530 29.700 -0.795 0.000 0.812 537 E HN 0.141 nan 8.360 nan 0.000 0.492 538 F N 1.592 121.627 119.950 0.140 0.000 2.508 538 F HA 0.239 4.766 4.527 -0.000 0.000 0.325 538 F C 0.976 176.846 175.800 0.117 0.000 1.090 538 F CA -1.181 56.929 58.000 0.184 0.000 0.945 538 F CB 0.974 40.087 39.000 0.189 0.000 1.156 538 F HN -0.186 nan 8.300 nan 0.000 0.463 539 N N 0.624 119.516 118.700 0.320 0.000 2.200 539 N HA 0.233 4.973 4.740 -0.000 0.000 0.224 539 N C -0.591 174.977 175.510 0.097 0.000 1.179 539 N CA 0.102 53.251 53.050 0.164 0.000 0.877 539 N CB 0.609 39.179 38.487 0.137 0.000 1.072 539 N HN 0.354 nan 8.380 nan 0.000 0.519 540 M N 0.923 120.593 119.600 0.117 0.000 2.378 540 M HA 0.450 4.930 4.480 -0.000 0.000 0.289 540 M C -1.739 174.537 176.300 -0.040 0.000 1.136 540 M CA -0.769 54.484 55.300 -0.078 0.000 0.917 540 M CB 2.661 35.071 32.600 -0.317 0.000 1.669 540 M HN -0.204 nan 8.290 nan 0.000 0.461 541 V N 2.303 122.161 119.914 -0.093 0.000 2.709 541 V HA 0.699 4.819 4.120 -0.000 0.000 0.308 541 V C -0.395 175.621 176.094 -0.129 0.000 1.062 541 V CA -0.507 61.749 62.300 -0.074 0.000 0.901 541 V CB 2.509 34.353 31.823 0.035 0.000 1.003 541 V HN 0.903 nan 8.190 nan 0.000 0.425 542 T N 3.476 117.938 114.554 -0.153 0.000 2.824 542 T HA 0.650 5.000 4.350 -0.000 0.000 0.282 542 T C 0.014 174.617 174.700 -0.161 0.000 0.993 542 T CA -0.282 61.731 62.100 -0.146 0.000 0.967 542 T CB 1.656 70.468 68.868 -0.094 0.000 0.960 542 T HN 0.946 nan 8.240 nan 0.000 0.441 543 A N 2.105 124.879 122.820 -0.078 0.000 2.454 543 A HA 0.274 4.594 4.320 -0.000 0.000 0.260 543 A C 1.368 178.940 177.584 -0.019 0.000 1.106 543 A CA -0.331 51.682 52.037 -0.039 0.000 0.780 543 A CB 0.008 19.035 19.000 0.045 0.000 1.044 543 A HN 1.061 nan 8.150 nan 0.000 0.498 544 E N 2.055 122.170 120.200 -0.140 0.000 2.110 544 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 544 E C 0.718 177.415 176.600 0.163 0.000 0.988 544 E CA 1.760 58.075 56.400 -0.142 0.000 0.804 544 E CB 0.079 29.593 29.700 -0.311 0.000 0.745 544 E HN 0.812 nan 8.360 nan 0.000 0.458 545 N N -1.249 117.527 118.700 0.127 0.000 2.028 545 N HA -0.016 4.724 4.740 -0.000 0.000 0.230 545 N C 0.739 176.344 175.510 0.158 0.000 1.354 545 N CA 0.166 53.316 53.050 0.167 0.000 0.855 545 N CB 0.391 38.951 38.487 0.121 0.000 1.111 545 N HN -0.016 nan 8.380 nan 0.000 0.480 546 E N 0.835 121.116 120.200 0.135 0.000 2.331 546 E HA 0.046 4.396 4.350 -0.000 0.000 0.199 546 E C 1.100 177.834 176.600 0.224 0.000 1.008 546 E CA 0.992 57.486 56.400 0.156 0.000 0.843 546 E CB -0.037 29.745 29.700 0.137 0.000 0.761 546 E HN 0.356 nan 8.360 nan 0.000 0.507 547 M N -0.200 119.546 119.600 0.244 0.000 2.405 547 M HA 0.162 4.642 4.480 -0.000 0.000 0.292 547 M C -0.015 176.492 176.300 0.345 0.000 1.111 547 M CA -0.106 55.397 55.300 0.337 0.000 0.979 547 M CB 0.626 33.410 32.600 0.305 0.000 1.426 547 M HN -0.160 nan 8.290 nan 0.000 0.509 548 K N 0.506 121.063 120.400 0.261 0.000 2.118 548 K HA 0.298 4.618 4.320 -0.000 0.000 0.240 548 K C 1.116 177.883 176.600 0.278 0.000 1.035 548 K CA -0.279 56.158 56.287 0.251 0.000 0.899 548 K CB 1.216 33.861 32.500 0.243 0.000 1.085 548 K HN 0.072 nan 8.250 nan 0.000 0.498 549 I N 1.206 121.904 120.570 0.213 0.000 2.179 549 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 549 I C 1.957 178.072 176.117 -0.004 0.000 1.088 549 I CA 1.420 62.715 61.300 -0.008 0.000 1.357 549 I CB -0.509 37.299 38.000 -0.319 0.000 1.051 549 I HN 0.718 nan 8.210 nan 0.000 0.409 550 D N 1.817 122.198 120.400 -0.031 0.000 2.178 550 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 550 D C 1.989 178.315 176.300 0.044 0.000 0.980 550 D CA 1.502 55.482 54.000 -0.032 0.000 0.842 550 D CB -0.343 40.415 40.800 -0.070 0.000 0.948 550 D HN 0.355 nan 8.370 nan 0.000 0.472 551 A N 0.443 123.315 122.820 0.086 0.000 2.016 551 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 551 A C 2.274 179.909 177.584 0.084 0.000 1.162 551 A CA 1.902 53.994 52.037 0.092 0.000 0.662 551 A CB -0.672 18.402 19.000 0.124 0.000 0.812 551 A HN 0.446 nan 8.150 nan 0.000 0.450 552 T N -3.714 110.931 114.554 0.152 0.000 3.037 552 T HA 0.218 4.568 4.350 -0.000 0.000 0.251 552 T C 0.525 175.247 174.700 0.038 0.000 1.079 552 T CA 0.681 62.836 62.100 0.092 0.000 1.067 552 T CB 0.146 69.214 68.868 0.333 0.000 0.948 552 T HN 0.403 nan 8.240 nan 0.000 0.496 553 E N 1.826 122.101 120.200 0.126 0.000 3.284 553 E HA 0.224 4.574 4.350 -0.000 0.000 0.277 553 E C -2.172 174.534 176.600 0.176 0.000 1.218 553 E CA -1.921 54.468 56.400 -0.017 0.000 0.925 553 E CB 1.481 31.236 29.700 0.091 0.000 1.409 553 E HN 0.090 nan 8.360 nan 0.000 0.388 554 P HA -0.151 nan 4.420 nan 0.000 0.219 554 P C 0.019 177.447 177.300 0.213 0.000 1.146 554 P CA 1.009 64.191 63.100 0.136 0.000 0.808 554 P CB 0.468 32.181 31.700 0.021 0.000 0.779 555 Q N -0.828 118.924 119.800 -0.079 0.000 2.397 555 Q HA 0.300 4.640 4.340 -0.000 0.000 0.275 555 Q C -0.325 175.051 176.000 -1.040 0.000 1.090 555 Q CA -0.999 54.515 55.803 -0.483 0.000 0.809 555 Q CB 2.506 31.062 28.738 -0.303 0.000 1.362 555 Q HN -0.003 nan 8.270 nan 0.000 0.431 556 R N -0.057 119.381 120.500 -1.770 0.000 2.473 556 R HA 0.190 4.529 4.340 -0.000 0.000 0.315 556 R C 0.858 176.667 176.300 -0.818 0.000 0.972 556 R CA 1.746 56.807 56.100 -1.732 0.000 1.047 556 R CB -0.358 29.087 30.300 -1.425 0.000 0.932 556 R HN 0.931 nan 8.270 nan 0.000 0.411 557 G N 2.822 111.215 108.800 -0.678 0.000 2.199 557 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 557 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 557 G C 0.010 174.701 174.900 -0.348 0.000 0.982 557 G CA 0.382 45.258 45.100 -0.374 0.000 0.632 557 G HN 0.609 nan 8.290 nan 0.000 0.529 558 Q N 0.315 119.818 119.800 -0.496 0.000 2.431 558 Q HA 0.631 4.971 4.340 -0.000 0.000 0.249 558 Q C -0.620 175.124 176.000 -0.427 0.000 1.025 558 Q CA -0.823 54.789 55.803 -0.318 0.000 0.835 558 Q CB 0.145 28.736 28.738 -0.245 0.000 1.207 558 Q HN 0.202 nan 8.270 nan 0.000 0.490 559 F N 2.200 122.060 119.950 -0.150 0.000 2.371 559 F HA 0.386 4.913 4.527 -0.000 0.000 0.329 559 F C 0.798 176.308 175.800 -0.483 0.000 1.107 559 F CA -0.336 57.469 58.000 -0.324 0.000 1.137 559 F CB 0.984 39.808 39.000 -0.293 0.000 1.214 559 F HN 0.468 nan 8.300 nan 0.000 0.536 560 N N 1.985 120.322 118.700 -0.605 0.000 2.454 560 N HA 0.241 4.981 4.740 -0.000 0.000 0.291 560 N C -1.231 173.854 175.510 -0.707 0.000 1.079 560 N CA -0.332 52.429 53.050 -0.482 0.000 0.893 560 N CB 0.933 39.296 38.487 -0.205 0.000 1.512 560 N HN 0.405 nan 8.380 nan 0.000 0.497 561 F N 1.080 120.996 119.950 -0.057 0.000 2.698 561 F HA 0.160 4.687 4.527 -0.000 0.000 0.304 561 F C 2.122 177.953 175.800 0.051 0.000 1.108 561 F CA -0.309 57.651 58.000 -0.067 0.000 1.263 561 F CB 0.206 38.904 39.000 -0.505 0.000 1.013 561 F HN 0.469 nan 8.300 nan 0.000 0.532 562 S N 0.073 115.856 115.700 0.139 0.000 2.382 562 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 562 S C 2.187 176.880 174.600 0.154 0.000 1.027 562 S CA 1.105 59.387 58.200 0.137 0.000 0.991 562 S CB -0.416 62.831 63.200 0.079 0.000 0.823 562 S HN 0.271 nan 8.310 nan 0.000 0.469 563 A N 1.814 124.724 122.820 0.150 0.000 1.878 563 A HA 0.441 4.761 4.320 -0.000 0.000 0.213 563 A C 2.403 180.112 177.584 0.209 0.000 1.192 563 A CA 1.009 53.133 52.037 0.147 0.000 0.619 563 A CB -1.615 17.454 19.000 0.115 0.000 0.837 563 A HN 0.602 nan 8.150 nan 0.000 0.446 564 G N 0.068 109.044 108.800 0.295 0.000 2.418 564 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 564 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 564 G C 1.044 176.209 174.900 0.442 0.000 1.158 564 G CA 1.304 46.635 45.100 0.385 0.000 0.771 564 G HN 0.426 nan 8.290 nan 0.000 0.545 565 D N 0.158 120.840 120.400 0.470 0.000 2.219 565 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 565 D C 2.626 179.146 176.300 0.368 0.000 0.970 565 D CA 0.379 54.662 54.000 0.470 0.000 0.851 565 D CB -0.161 40.876 40.800 0.395 0.000 0.943 565 D HN 0.265 nan 8.370 nan 0.000 0.488 566 R N 0.128 120.791 120.500 0.272 0.000 2.092 566 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 566 R C 2.243 178.680 176.300 0.230 0.000 1.119 566 R CA 0.612 56.842 56.100 0.216 0.000 0.970 566 R CB -0.158 30.231 30.300 0.148 0.000 0.864 566 R HN 0.092 nan 8.270 nan 0.000 0.440 567 V N -0.064 119.980 119.914 0.216 0.000 2.379 567 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 567 V C 1.880 178.123 176.094 0.249 0.000 1.044 567 V CA 1.540 63.953 62.300 0.189 0.000 1.036 567 V CB -0.594 31.298 31.823 0.114 0.000 0.664 567 V HN 0.287 nan 8.190 nan 0.000 0.453 568 Y N 2.117 122.512 120.300 0.159 0.000 2.128 568 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 568 Y C 2.528 178.515 175.900 0.145 0.000 1.154 568 Y CA 2.100 60.278 58.100 0.129 0.000 1.149 568 Y CB -0.395 38.178 38.460 0.189 0.000 0.976 568 Y HN 0.292 nan 8.280 nan 0.000 0.505 569 N N -0.393 118.420 118.700 0.189 0.000 2.104 569 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 569 N C 1.570 177.088 175.510 0.012 0.000 1.024 569 N CA 1.698 54.793 53.050 0.076 0.000 0.853 569 N CB -1.244 37.355 38.487 0.187 0.000 1.008 569 N HN 0.660 nan 8.380 nan 0.000 0.424 570 W N 1.919 123.192 121.300 -0.044 0.000 2.358 570 W HA -0.065 4.595 4.660 0.000 0.000 0.303 570 W C 2.365 178.825 176.519 -0.098 0.000 1.208 570 W CA 2.231 59.549 57.345 -0.045 0.000 1.274 570 W CB -0.362 29.094 29.460 -0.005 0.000 1.138 570 W HN 0.096 nan 8.180 nan 0.000 0.515 571 A N 0.215 123.069 122.820 0.057 0.000 1.858 571 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 571 A C 2.097 179.478 177.584 -0.339 0.000 1.190 571 A CA 3.164 55.122 52.037 -0.133 0.000 0.617 571 A CB -1.627 17.335 19.000 -0.064 0.000 0.827 571 A HN 0.545 nan 8.150 nan 0.000 0.443 572 V N -2.046 117.619 119.914 -0.415 0.000 2.427 572 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 572 V C 2.406 178.330 176.094 -0.284 0.000 1.051 572 V CA 2.450 64.529 62.300 -0.369 0.000 1.048 572 V CB -1.292 30.256 31.823 -0.460 0.000 0.666 572 V HN 0.549 nan 8.190 nan 0.000 0.456 573 Q N 1.544 121.168 119.800 -0.293 0.000 2.226 573 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 573 Q C 1.591 177.398 176.000 -0.322 0.000 0.975 573 Q CA 1.955 57.604 55.803 -0.257 0.000 0.866 573 Q CB -0.339 28.259 28.738 -0.233 0.000 0.915 573 Q HN 0.760 nan 8.270 nan 0.000 0.440 574 N N -0.890 117.530 118.700 -0.466 0.000 2.273 574 N HA 0.186 4.926 4.740 -0.000 0.000 0.231 574 N C -0.117 175.204 175.510 -0.314 0.000 1.134 574 N CA 0.684 53.452 53.050 -0.469 0.000 0.856 574 N CB 1.048 39.037 38.487 -0.830 0.000 1.068 574 N HN 0.360 nan 8.380 nan 0.000 0.510 575 G N 1.144 109.801 108.800 -0.238 0.000 2.179 575 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 575 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 575 G C -0.071 174.752 174.900 -0.128 0.000 1.010 575 G CA 0.473 45.479 45.100 -0.156 0.000 0.736 575 G HN 0.284 nan 8.290 nan 0.000 0.513 576 K N -0.039 120.265 120.400 -0.160 0.000 2.156 576 K HA 0.646 4.966 4.320 -0.000 0.000 0.250 576 K C 0.674 177.200 176.600 -0.124 0.000 0.955 576 K CA -0.585 55.640 56.287 -0.104 0.000 0.855 576 K CB 1.381 33.842 32.500 -0.065 0.000 1.101 576 K HN 0.358 nan 8.250 nan 0.000 0.434 577 Q N 0.312 120.045 119.800 -0.111 0.000 2.237 577 Q HA 0.526 4.866 4.340 -0.000 0.000 0.219 577 Q C -0.738 175.168 176.000 -0.157 0.000 0.999 577 Q CA -0.921 54.804 55.803 -0.129 0.000 0.959 577 Q CB 1.385 30.040 28.738 -0.139 0.000 1.173 577 Q HN 0.223 nan 8.270 nan 0.000 0.527 578 V N 0.866 120.684 119.914 -0.160 0.000 2.789 578 V HA 0.426 4.546 4.120 -0.000 0.000 0.311 578 V C -0.753 175.170 176.094 -0.285 0.000 1.073 578 V CA -0.815 61.372 62.300 -0.188 0.000 0.921 578 V CB 1.981 33.741 31.823 -0.106 0.000 1.009 578 V HN 0.634 nan 8.190 nan 0.000 0.426 579 R N 2.243 122.563 120.500 -0.300 0.000 2.265 579 R HA 0.559 4.899 4.340 -0.000 0.000 0.328 579 R C 0.331 176.370 176.300 -0.435 0.000 0.969 579 R CA -0.427 55.474 56.100 -0.331 0.000 0.832 579 R CB 1.812 31.983 30.300 -0.214 0.000 1.139 579 R HN 0.924 nan 8.270 nan 0.000 0.457 580 G N 1.385 109.686 108.800 -0.831 0.000 2.432 580 G HA2 0.163 4.123 3.960 -0.000 0.000 0.257 580 G HA3 0.163 4.123 3.960 -0.000 0.000 0.257 580 G C -0.872 173.899 174.900 -0.215 0.000 1.238 580 G CA 0.107 44.447 45.100 -1.266 0.000 0.838 580 G HN 0.678 nan 8.290 nan 0.000 0.547 581 H N -0.376 118.680 119.070 -0.024 0.000 3.179 581 H HA 0.523 5.079 4.556 -0.000 0.000 0.331 581 H C -0.954 174.465 175.328 0.151 0.000 1.013 581 H CA -0.359 55.735 56.048 0.076 0.000 1.430 581 H CB 1.526 31.291 29.762 0.004 0.000 1.895 581 H HN 0.516 nan 8.280 nan 0.000 0.468 582 T N 6.080 120.565 114.554 -0.116 0.000 2.952 582 T HA 0.225 4.575 4.350 -0.000 0.000 0.305 582 T C 1.114 175.840 174.700 0.043 0.000 1.064 582 T CA -0.750 61.218 62.100 -0.221 0.000 1.008 582 T CB 1.437 69.727 68.868 -0.964 0.000 1.078 582 T HN 0.567 nan 8.240 nan 0.000 0.459 583 L N 1.224 122.501 121.223 0.091 0.000 2.131 583 L HA 0.387 4.727 4.340 -0.000 0.000 0.206 583 L C 1.167 178.187 176.870 0.250 0.000 1.087 583 L CA 0.575 55.491 54.840 0.127 0.000 0.767 583 L CB -0.040 41.954 42.059 -0.107 0.000 0.917 583 L HN 0.670 nan 8.230 nan 0.000 0.441 584 A N -0.197 122.767 122.820 0.241 0.000 2.476 584 A HA 0.557 4.877 4.320 -0.000 0.000 0.280 584 A C -1.584 176.346 177.584 0.578 0.000 1.081 584 A CA -0.507 51.754 52.037 0.373 0.000 0.753 584 A CB 0.706 19.936 19.000 0.384 0.000 1.248 584 A HN 0.251 nan 8.150 nan 0.000 0.424 585 W N 3.075 124.458 121.300 0.139 0.000 2.989 585 W HA 0.368 5.028 4.660 -0.000 0.000 0.344 585 W C 0.100 176.623 176.519 0.005 0.000 1.233 585 W CA -0.171 57.283 57.345 0.182 0.000 1.187 585 W CB -0.032 29.495 29.460 0.113 0.000 1.443 585 W HN 0.835 nan 8.180 nan 0.000 0.573 586 H N 0.134 119.121 119.070 -0.138 0.000 2.470 586 H HA 0.105 4.660 4.556 -0.000 0.000 0.289 586 H C 0.158 175.088 175.328 -0.663 0.000 1.033 586 H CA 1.252 57.079 56.048 -0.368 0.000 1.331 586 H CB -0.333 29.316 29.762 -0.190 0.000 1.414 586 H HN 0.188 nan 8.280 nan 0.000 0.545 587 S N 0.074 114.562 115.700 -2.021 0.000 2.646 587 S HA 0.167 4.637 4.470 -0.000 0.000 0.276 587 S C 0.111 173.844 174.600 -1.446 0.000 1.222 587 S CA -0.312 56.803 58.200 -1.808 0.000 1.014 587 S CB 0.684 62.670 63.200 -2.022 0.000 0.991 587 S HN 0.570 nan 8.310 nan 0.000 0.533 588 Q N 0.361 119.698 119.800 -0.771 0.000 2.481 588 Q HA -0.209 4.131 4.340 -0.000 0.000 0.272 588 Q C -0.529 175.241 176.000 -0.383 0.000 1.157 588 Q CA 0.718 56.266 55.803 -0.424 0.000 0.935 588 Q CB -1.284 27.329 28.738 -0.208 0.000 1.338 588 Q HN 0.687 nan 8.270 nan 0.000 0.494 589 Q N 1.210 120.728 119.800 -0.471 0.000 2.327 589 Q HA 0.261 4.601 4.340 -0.000 0.000 0.254 589 Q C -1.930 173.814 176.000 -0.425 0.000 0.952 589 Q CA -1.551 53.974 55.803 -0.464 0.000 0.884 589 Q CB 0.601 29.041 28.738 -0.498 0.000 1.224 589 Q HN 0.125 nan 8.270 nan 0.000 0.422 590 P HA -0.058 nan 4.420 nan 0.000 0.272 590 P C 0.364 177.373 177.300 -0.486 0.000 1.230 590 P CA 0.084 62.917 63.100 -0.444 0.000 0.788 590 P CB 0.651 32.054 31.700 -0.495 0.000 0.949 591 G N 2.092 110.744 108.800 -0.246 0.000 2.505 591 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 591 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 591 G C 1.391 176.208 174.900 -0.138 0.000 1.145 591 G CA 0.526 45.529 45.100 -0.161 0.000 0.761 591 G HN 0.773 nan 8.290 nan 0.000 0.571 592 W N -0.131 121.114 121.300 -0.092 0.000 2.392 592 W HA 0.029 4.689 4.660 -0.000 0.000 0.279 592 W C 2.032 178.495 176.519 -0.094 0.000 1.225 592 W CA 1.041 58.333 57.345 -0.088 0.000 1.233 592 W CB -0.686 28.719 29.460 -0.090 0.000 1.122 592 W HN 0.297 nan 8.180 nan 0.000 0.561 593 M N 1.227 120.322 119.600 -0.842 0.000 2.394 593 M HA -0.086 4.394 4.480 -0.000 0.000 0.266 593 M C 2.379 178.442 176.300 -0.396 0.000 1.098 593 M CA 1.338 56.170 55.300 -0.780 0.000 1.149 593 M CB -0.205 31.634 32.600 -1.268 0.000 1.369 593 M HN -0.048 nan 8.290 nan 0.000 0.450 594 Q N -0.460 119.123 119.800 -0.362 0.000 2.226 594 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 594 Q C 1.665 177.572 176.000 -0.154 0.000 0.975 594 Q CA 1.626 57.282 55.803 -0.245 0.000 0.866 594 Q CB -0.003 28.603 28.738 -0.220 0.000 0.915 594 Q HN 0.469 nan 8.270 nan 0.000 0.440 595 S N 0.249 115.884 115.700 -0.108 0.000 2.561 595 S HA 0.079 4.549 4.470 -0.000 0.000 0.225 595 S C 0.607 175.188 174.600 -0.032 0.000 0.977 595 S CA 0.245 58.416 58.200 -0.048 0.000 0.926 595 S CB 0.088 63.287 63.200 -0.002 0.000 0.769 595 S HN 0.201 nan 8.310 nan 0.000 0.533 596 L N 1.749 122.944 121.223 -0.046 0.000 2.360 596 L HA 0.571 4.911 4.340 -0.000 0.000 0.271 596 L C 0.311 177.148 176.870 -0.056 0.000 1.057 596 L CA -0.499 54.327 54.840 -0.023 0.000 0.803 596 L CB 1.378 43.445 42.059 0.013 0.000 1.207 596 L HN 0.131 nan 8.230 nan 0.000 0.445 597 S N -0.166 115.511 115.700 -0.037 0.000 2.625 597 S HA 0.847 5.317 4.470 -0.000 0.000 0.271 597 S C -0.076 174.507 174.600 -0.029 0.000 1.161 597 S CA -0.240 57.930 58.200 -0.051 0.000 0.820 597 S CB 1.435 64.605 63.200 -0.049 0.000 1.137 597 S HN 1.218 nan 8.310 nan 0.000 0.470 598 G N 1.939 110.719 108.800 -0.033 0.000 2.574 598 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.282 598 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.282 598 G C 1.098 176.000 174.900 0.004 0.000 1.257 598 G CA 1.550 46.642 45.100 -0.012 0.000 0.956 598 G HN 2.214 nan 8.290 nan 0.000 0.560 599 S N -1.524 114.185 115.700 0.015 0.000 2.400 599 S HA -0.137 4.333 4.470 -0.000 0.000 0.232 599 S C 2.212 176.832 174.600 0.034 0.000 1.025 599 S CA 2.689 60.905 58.200 0.028 0.000 0.993 599 S CB -0.841 62.374 63.200 0.027 0.000 0.808 599 S HN 1.169 nan 8.310 nan 0.000 0.478 600 T N 2.574 117.145 114.554 0.028 0.000 2.777 600 T HA 0.105 4.455 4.350 -0.000 0.000 0.266 600 T C 1.691 176.424 174.700 0.056 0.000 1.040 600 T CA 1.155 63.279 62.100 0.040 0.000 1.141 600 T CB -0.446 68.443 68.868 0.034 0.000 0.868 600 T HN 0.299 nan 8.240 nan 0.000 0.444 601 L N 0.689 121.931 121.223 0.031 0.000 2.072 601 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 601 L C 2.808 179.701 176.870 0.039 0.000 1.079 601 L CA 1.366 56.217 54.840 0.019 0.000 0.752 601 L CB -0.242 41.790 42.059 -0.045 0.000 0.906 601 L HN 0.126 nan 8.230 nan 0.000 0.436 602 R N 0.239 120.764 120.500 0.041 0.000 2.083 602 R HA -0.268 4.072 4.340 -0.000 0.000 0.237 602 R C 2.181 178.538 176.300 0.095 0.000 1.137 602 R CA 2.083 58.227 56.100 0.074 0.000 0.951 602 R CB -0.590 29.755 30.300 0.074 0.000 0.851 602 R HN 0.309 nan 8.270 nan 0.000 0.434 603 Q N -0.393 119.459 119.800 0.086 0.000 2.172 603 Q HA 0.129 4.469 4.340 -0.000 0.000 0.200 603 Q C 1.821 177.897 176.000 0.127 0.000 0.964 603 Q CA 1.850 57.709 55.803 0.094 0.000 0.855 603 Q CB -0.350 28.432 28.738 0.073 0.000 0.918 603 Q HN 0.416 nan 8.270 nan 0.000 0.444 604 A N 0.279 123.187 122.820 0.147 0.000 1.930 604 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 604 A C 2.111 179.844 177.584 0.248 0.000 1.175 604 A CA 1.550 53.723 52.037 0.227 0.000 0.627 604 A CB -0.650 18.534 19.000 0.306 0.000 0.815 604 A HN 0.575 nan 8.150 nan 0.000 0.443 605 M N -0.438 119.269 119.600 0.178 0.000 2.086 605 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 605 M C 1.949 178.378 176.300 0.215 0.000 1.067 605 M CA 1.871 57.284 55.300 0.188 0.000 1.116 605 M CB -0.319 32.378 32.600 0.161 0.000 1.348 605 M HN 0.427 nan 8.290 nan 0.000 0.407 606 I N 0.555 121.226 120.570 0.169 0.000 2.179 606 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 606 I C 1.827 178.029 176.117 0.142 0.000 1.088 606 I CA 1.370 62.748 61.300 0.130 0.000 1.357 606 I CB -0.736 37.324 38.000 0.100 0.000 1.051 606 I HN 0.299 nan 8.210 nan 0.000 0.409 607 D N -0.339 120.171 120.400 0.183 0.000 2.149 607 D HA -0.246 4.394 4.640 -0.000 0.000 0.198 607 D C 1.988 178.491 176.300 0.338 0.000 0.990 607 D CA 1.498 55.630 54.000 0.220 0.000 0.839 607 D CB -0.423 40.513 40.800 0.227 0.000 0.948 607 D HN 0.439 nan 8.370 nan 0.000 0.460 608 H N 0.470 119.725 119.070 0.308 0.000 2.321 608 H HA 0.006 4.562 4.556 -0.000 0.000 0.300 608 H C 2.165 177.637 175.328 0.241 0.000 1.087 608 H CA 1.238 57.530 56.048 0.407 0.000 1.319 608 H CB -0.323 29.622 29.762 0.305 0.000 1.379 608 H HN 0.055 nan 8.280 nan 0.000 0.501 609 I N 0.277 120.900 120.570 0.089 0.000 2.163 609 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 609 I C 2.020 178.029 176.117 -0.179 0.000 1.085 609 I CA 1.326 62.566 61.300 -0.099 0.000 1.347 609 I CB -0.332 37.635 38.000 -0.055 0.000 1.044 609 I HN 0.376 nan 8.210 nan 0.000 0.408 610 N N 1.082 119.724 118.700 -0.096 0.000 2.120 610 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 610 N C 1.890 177.252 175.510 -0.247 0.000 1.024 610 N CA 1.662 54.633 53.050 -0.132 0.000 0.852 610 N CB -0.721 37.729 38.487 -0.061 0.000 1.003 610 N HN 0.439 nan 8.380 nan 0.000 0.424 611 G N 0.741 109.309 108.800 -0.386 0.000 2.404 611 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 611 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 611 G C 1.733 176.266 174.900 -0.611 0.000 1.174 611 G CA 0.757 45.285 45.100 -0.954 0.000 0.780 611 G HN 0.191 nan 8.290 nan 0.000 0.537 612 V N 1.042 120.747 119.914 -0.348 0.000 2.323 612 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 612 V C 2.886 178.959 176.094 -0.036 0.000 1.041 612 V CA 1.887 64.189 62.300 0.002 0.000 1.025 612 V CB -0.413 31.398 31.823 -0.020 0.000 0.656 612 V HN 0.335 nan 8.190 nan 0.000 0.451 613 M N 0.314 119.772 119.600 -0.236 0.000 2.229 613 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 613 M C 2.236 178.491 176.300 -0.074 0.000 1.063 613 M CA 1.821 57.018 55.300 -0.172 0.000 1.114 613 M CB -0.774 31.626 32.600 -0.333 0.000 1.387 613 M HN 0.505 nan 8.290 nan 0.000 0.420 614 G N -0.883 107.821 108.800 -0.160 0.000 2.418 614 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 614 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 614 G C 1.179 175.945 174.900 -0.224 0.000 1.158 614 G CA 1.225 46.226 45.100 -0.166 0.000 0.771 614 G HN 0.477 nan 8.290 nan 0.000 0.545 615 H N -0.552 118.235 119.070 -0.471 0.000 2.387 615 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 615 H C 1.219 176.105 175.328 -0.737 0.000 1.090 615 H CA 1.259 56.827 56.048 -0.800 0.000 1.332 615 H CB -0.095 28.640 29.762 -1.713 0.000 1.386 615 H HN 0.409 nan 8.280 nan 0.000 0.516 616 Y N 0.519 120.649 120.300 -0.283 0.000 2.571 616 Y HA 0.214 4.764 4.550 -0.000 0.000 0.275 616 Y C 0.602 176.441 175.900 -0.101 0.000 1.179 616 Y CA -0.435 57.524 58.100 -0.235 0.000 1.242 616 Y CB -0.153 38.319 38.460 0.020 0.000 1.126 616 Y HN 0.004 nan 8.280 nan 0.000 0.524 617 K N 0.695 121.087 120.400 -0.012 0.000 2.466 617 K HA 0.130 4.450 4.320 -0.000 0.000 0.278 617 K C 1.273 177.885 176.600 0.019 0.000 1.048 617 K CA 1.266 57.565 56.287 0.020 0.000 1.088 617 K CB -0.192 32.284 32.500 -0.039 0.000 0.884 617 K HN 0.622 nan 8.250 nan 0.000 0.478 618 G N 3.695 112.533 108.800 0.065 0.000 2.162 618 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 618 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 618 G C 0.432 175.367 174.900 0.058 0.000 0.976 618 G CA 0.790 45.921 45.100 0.052 0.000 0.655 618 G HN 0.733 nan 8.290 nan 0.000 0.533 619 K N -0.633 119.810 120.400 0.071 0.000 2.374 619 K HA 0.382 4.702 4.320 -0.000 0.000 0.202 619 K C 0.330 176.986 176.600 0.094 0.000 1.040 619 K CA -0.157 56.193 56.287 0.104 0.000 1.085 619 K CB 0.967 33.504 32.500 0.062 0.000 0.873 619 K HN 0.312 nan 8.250 nan 0.000 0.539 620 I N 0.932 121.516 120.570 0.023 0.000 2.406 620 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 620 I C 1.098 177.155 176.117 -0.100 0.000 0.999 620 I CA -0.355 60.862 61.300 -0.138 0.000 1.124 620 I CB 1.189 38.948 38.000 -0.402 0.000 1.289 620 I HN -0.026 nan 8.210 nan 0.000 0.441 621 A N 6.149 128.890 122.820 -0.131 0.000 1.873 621 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 621 A C 0.781 178.332 177.584 -0.054 0.000 1.186 621 A CA 1.197 53.187 52.037 -0.080 0.000 0.616 621 A CB 0.061 18.990 19.000 -0.118 0.000 0.823 621 A HN 0.778 nan 8.150 nan 0.000 0.442 622 Q N -3.166 116.555 119.800 -0.131 0.000 2.345 622 Q HA 0.465 4.805 4.340 -0.000 0.000 0.275 622 Q C -2.052 173.870 176.000 -0.130 0.000 1.063 622 Q CA -0.338 55.441 55.803 -0.041 0.000 0.819 622 Q CB 2.052 30.785 28.738 -0.010 0.000 1.356 622 Q HN 0.540 nan 8.270 nan 0.000 0.418 623 W N 1.448 122.769 121.300 0.036 0.000 2.656 623 W HA 0.320 4.980 4.660 -0.000 0.000 0.327 623 W C -0.672 175.858 176.519 0.019 0.000 1.041 623 W CA -0.445 56.911 57.345 0.018 0.000 1.229 623 W CB 1.621 31.084 29.460 0.005 0.000 1.397 623 W HN 0.436 nan 8.180 nan 0.000 0.479 624 D N 3.424 124.019 120.400 0.324 0.000 2.402 624 D HA 0.058 4.698 4.640 -0.000 0.000 0.235 624 D C 1.100 177.482 176.300 0.137 0.000 1.226 624 D CA 0.230 54.332 54.000 0.170 0.000 0.918 624 D CB 1.398 42.267 40.800 0.114 0.000 1.043 624 D HN 0.119 nan 8.370 nan 0.000 0.506 625 V N 2.108 122.036 119.914 0.023 0.000 2.307 625 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 625 V C 1.061 177.075 176.094 -0.133 0.000 1.045 625 V CA 1.013 63.186 62.300 -0.212 0.000 1.024 625 V CB 0.084 31.436 31.823 -0.784 0.000 0.651 625 V HN 0.276 nan 8.190 nan 0.000 0.449 626 V N -1.040 118.852 119.914 -0.037 0.000 2.876 626 V HA 0.699 4.818 4.120 -0.000 0.000 0.312 626 V C -0.562 175.572 176.094 0.067 0.000 1.085 626 V CA -0.236 62.164 62.300 0.166 0.000 0.945 626 V CB 1.935 33.939 31.823 0.302 0.000 1.017 626 V HN 0.267 nan 8.190 nan 0.000 0.428 627 S N 0.877 116.683 115.700 0.178 0.000 2.579 627 S HA 0.637 5.107 4.470 -0.000 0.000 0.272 627 S C -0.374 174.573 174.600 0.579 0.000 1.141 627 S CA -0.358 57.900 58.200 0.097 0.000 0.843 627 S CB 0.822 63.993 63.200 -0.048 0.000 1.122 627 S HN 1.003 nan 8.310 nan 0.000 0.468 628 H N -0.076 119.167 119.070 0.288 0.000 2.776 628 H HA -0.194 4.362 4.556 -0.000 0.000 0.300 628 H C 1.059 176.692 175.328 0.508 0.000 1.161 628 H CA 0.945 57.296 56.048 0.504 0.000 1.147 628 H CB -1.694 28.574 29.762 0.843 0.000 1.366 628 H HN 0.648 nan 8.280 nan 0.000 0.397 629 A N -1.059 122.180 122.820 0.698 0.000 2.169 629 A HA 0.232 4.552 4.320 -0.000 0.000 0.212 629 A C 0.492 178.256 177.584 0.300 0.000 1.153 629 A CA 0.377 52.780 52.037 0.610 0.000 0.756 629 A CB 0.200 19.593 19.000 0.655 0.000 0.813 629 A HN 0.187 nan 8.150 nan 0.000 0.471 630 F N -0.772 119.295 119.950 0.195 0.000 2.432 630 F HA 0.520 5.047 4.527 -0.000 0.000 0.329 630 F C 0.952 176.754 175.800 0.004 0.000 1.076 630 F CA -0.848 57.194 58.000 0.070 0.000 1.018 630 F CB 1.487 40.505 39.000 0.030 0.000 1.201 630 F HN -0.065 nan 8.300 nan 0.000 0.489 631 S N 0.313 116.079 115.700 0.109 0.000 2.603 631 S HA 0.150 4.620 4.470 -0.000 0.000 0.268 631 S C 0.394 175.016 174.600 0.036 0.000 1.317 631 S CA -0.550 57.678 58.200 0.047 0.000 1.012 631 S CB 0.466 63.673 63.200 0.012 0.000 0.926 631 S HN 0.605 nan 8.310 nan 0.000 0.539 632 D N 0.961 121.370 120.400 0.015 0.000 2.369 632 D HA 0.051 4.691 4.640 -0.000 0.000 0.211 632 D C 0.717 177.000 176.300 -0.029 0.000 1.077 632 D CA 0.175 54.165 54.000 -0.016 0.000 0.842 632 D CB 0.055 40.872 40.800 0.029 0.000 0.947 632 D HN 0.747 nan 8.370 nan 0.000 0.509 633 D N 0.090 120.484 120.400 -0.011 0.000 2.378 633 D HA -0.020 4.620 4.640 -0.000 0.000 0.227 633 D C 1.596 177.883 176.300 -0.022 0.000 1.012 633 D CA 0.826 54.817 54.000 -0.016 0.000 0.905 633 D CB -0.271 40.524 40.800 -0.008 0.000 0.895 633 D HN 0.185 nan 8.370 nan 0.000 0.532 634 G N -0.128 108.657 108.800 -0.026 0.000 2.176 634 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.253 634 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.253 634 G C 1.157 176.058 174.900 0.002 0.000 0.979 634 G CA 0.880 45.966 45.100 -0.023 0.000 0.641 634 G HN 0.723 nan 8.290 nan 0.000 0.530 635 S N -0.332 115.376 115.700 0.013 0.000 2.496 635 S HA 0.387 4.857 4.470 -0.000 0.000 0.224 635 S C 2.347 176.973 174.600 0.045 0.000 0.996 635 S CA 1.489 59.702 58.200 0.021 0.000 0.927 635 S CB 0.070 63.279 63.200 0.015 0.000 0.774 635 S HN 2.370 nan 8.310 nan 0.000 0.524 636 G N 0.499 109.343 108.800 0.074 0.000 2.148 636 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.254 636 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.254 636 G C 0.416 175.449 174.900 0.222 0.000 0.981 636 G CA 0.120 45.300 45.100 0.134 0.000 0.670 636 G HN 1.075 nan 8.290 nan 0.000 0.528 637 G N -1.039 107.832 108.800 0.119 0.000 2.568 637 G HA2 0.634 4.594 3.960 -0.000 0.000 0.293 637 G HA3 0.634 4.594 3.960 -0.000 0.000 0.293 637 G C 0.122 174.913 174.900 -0.182 0.000 1.347 637 G CA -0.885 44.219 45.100 0.007 0.000 1.039 637 G HN 0.319 nan 8.290 nan 0.000 0.523 638 R N 0.054 120.357 120.500 -0.328 0.000 2.539 638 R HA 0.196 4.536 4.340 -0.000 0.000 0.275 638 R C 0.556 176.758 176.300 -0.162 0.000 1.077 638 R CA -0.496 55.358 56.100 -0.411 0.000 1.097 638 R CB 0.895 31.033 30.300 -0.270 0.000 1.018 638 R HN 0.606 nan 8.270 nan 0.000 0.483 639 R N 1.402 121.837 120.500 -0.109 0.000 2.543 639 R HA -0.042 4.298 4.340 -0.000 0.000 0.277 639 R C -0.567 175.689 176.300 -0.072 0.000 1.074 639 R CA -0.192 55.866 56.100 -0.070 0.000 1.076 639 R CB 0.461 30.711 30.300 -0.083 0.000 0.993 639 R HN 0.460 nan 8.270 nan 0.000 0.459 640 D N 1.868 122.220 120.400 -0.081 0.000 2.312 640 D HA 0.167 4.807 4.640 -0.000 0.000 0.252 640 D C -1.199 175.034 176.300 -0.111 0.000 1.150 640 D CA 0.274 54.226 54.000 -0.080 0.000 0.870 640 D CB 0.844 41.606 40.800 -0.062 0.000 1.153 640 D HN 0.577 nan 8.370 nan 0.000 0.457 641 S N 2.394 118.016 115.700 -0.131 0.000 2.615 641 S HA 0.254 4.724 4.470 -0.000 0.000 0.269 641 S C 0.808 175.286 174.600 -0.204 0.000 1.161 641 S CA -0.796 57.311 58.200 -0.155 0.000 0.817 641 S CB 0.791 63.895 63.200 -0.159 0.000 1.131 641 S HN 0.406 nan 8.310 nan 0.000 0.467 642 N N 1.282 119.858 118.700 -0.207 0.000 2.149 642 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 642 N C 1.520 176.840 175.510 -0.318 0.000 1.019 642 N CA 1.616 54.537 53.050 -0.215 0.000 0.857 642 N CB -1.049 37.326 38.487 -0.188 0.000 0.997 642 N HN 0.656 nan 8.380 nan 0.000 0.426 643 L N -0.289 120.635 121.223 -0.498 0.000 2.017 643 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 643 L C 2.803 179.026 176.870 -1.079 0.000 1.073 643 L CA 1.480 55.792 54.840 -0.878 0.000 0.745 643 L CB -0.562 40.638 42.059 -1.431 0.000 0.894 643 L HN 0.227 nan 8.230 nan 0.000 0.432 644 Q N 0.593 119.889 119.800 -0.840 0.000 2.170 644 Q HA -0.176 4.164 4.340 -0.000 0.000 0.203 644 Q C 2.108 178.020 176.000 -0.146 0.000 0.976 644 Q CA 1.524 57.120 55.803 -0.345 0.000 0.858 644 Q CB -0.071 28.644 28.738 -0.038 0.000 0.907 644 Q HN 0.283 nan 8.270 nan 0.000 0.433 645 R N -0.540 119.855 120.500 -0.175 0.000 2.280 645 R HA -0.026 4.314 4.340 -0.000 0.000 0.207 645 R C 1.921 178.181 176.300 -0.066 0.000 1.043 645 R CA 1.327 57.371 56.100 -0.093 0.000 1.006 645 R CB -0.196 30.047 30.300 -0.094 0.000 0.885 645 R HN 0.480 nan 8.270 nan 0.000 0.467 646 T N -2.878 111.620 114.554 -0.094 0.000 3.067 646 T HA 0.183 4.533 4.350 -0.000 0.000 0.261 646 T C 0.840 175.568 174.700 0.046 0.000 1.110 646 T CA 0.494 62.578 62.100 -0.027 0.000 1.113 646 T CB 0.577 69.426 68.868 -0.031 0.000 0.917 646 T HN 0.297 nan 8.240 nan 0.000 0.499 647 G N 0.667 109.519 108.800 0.086 0.000 2.306 647 G HA2 0.073 4.033 3.960 -0.000 0.000 0.340 647 G HA3 0.073 4.033 3.960 -0.000 0.000 0.340 647 G C -0.152 174.908 174.900 0.266 0.000 1.630 647 G CA -0.293 44.891 45.100 0.140 0.000 0.937 647 G HN 0.071 nan 8.290 nan 0.000 0.693 648 N N 0.405 119.228 118.700 0.204 0.000 2.348 648 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 648 N C 1.812 177.445 175.510 0.204 0.000 1.019 648 N CA 2.020 55.200 53.050 0.218 0.000 0.880 648 N CB 0.163 38.717 38.487 0.111 0.000 0.965 648 N HN 0.647 nan 8.380 nan 0.000 0.437 649 D N -0.352 120.162 120.400 0.191 0.000 2.363 649 D HA -0.133 4.507 4.640 -0.000 0.000 0.226 649 D C 1.749 178.156 176.300 0.178 0.000 1.020 649 D CA 0.011 54.097 54.000 0.144 0.000 0.892 649 D CB -0.974 39.891 40.800 0.108 0.000 0.900 649 D HN 0.588 nan 8.370 nan 0.000 0.531 650 W N 1.491 122.853 121.300 0.103 0.000 2.342 650 W HA -0.128 4.532 4.660 -0.000 0.000 0.297 650 W C 1.515 178.134 176.519 0.167 0.000 1.213 650 W CA 0.215 57.627 57.345 0.111 0.000 1.251 650 W CB -1.054 28.463 29.460 0.095 0.000 1.136 650 W HN -0.070 nan 8.180 nan 0.000 0.526 651 I N 1.334 121.586 120.570 -0.530 0.000 2.202 651 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 651 I C 2.784 178.967 176.117 0.110 0.000 1.091 651 I CA 2.192 63.272 61.300 -0.367 0.000 1.368 651 I CB -0.802 36.982 38.000 -0.360 0.000 1.058 651 I HN 0.027 nan 8.210 nan 0.000 0.410 652 E N 1.216 121.420 120.200 0.007 0.000 2.058 652 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 652 E C 2.303 178.861 176.600 -0.070 0.000 0.997 652 E CA 1.728 57.956 56.400 -0.286 0.000 0.801 652 E CB 0.110 29.616 29.700 -0.322 0.000 0.746 652 E HN 0.266 nan 8.360 nan 0.000 0.450 653 V N 1.218 121.146 119.914 0.022 0.000 2.407 653 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 653 V C 2.473 178.609 176.094 0.069 0.000 1.055 653 V CA 1.741 64.075 62.300 0.057 0.000 1.049 653 V CB -0.793 31.093 31.823 0.106 0.000 0.662 653 V HN 0.455 nan 8.190 nan 0.000 0.455 654 A N -0.483 122.392 122.820 0.092 0.000 1.902 654 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 654 A C 2.042 179.571 177.584 -0.091 0.000 1.181 654 A CA 1.875 53.925 52.037 0.022 0.000 0.623 654 A CB -0.703 18.310 19.000 0.022 0.000 0.818 654 A HN 0.469 nan 8.150 nan 0.000 0.443 655 F N -0.265 119.673 119.950 -0.020 0.000 2.146 655 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 655 F C 2.593 178.364 175.800 -0.049 0.000 1.096 655 F CA 1.590 59.573 58.000 -0.029 0.000 1.275 655 F CB -0.218 38.739 39.000 -0.072 0.000 1.008 655 F HN 0.093 nan 8.300 nan 0.000 0.480 656 R N -0.596 119.958 120.500 0.090 0.000 2.096 656 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 656 R C 2.073 178.385 176.300 0.021 0.000 1.127 656 R CA 1.849 57.969 56.100 0.034 0.000 0.968 656 R CB -0.914 29.386 30.300 -0.001 0.000 0.861 656 R HN 0.212 nan 8.270 nan 0.000 0.440 657 T N 0.858 115.419 114.554 0.010 0.000 2.737 657 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 657 T C 1.961 176.639 174.700 -0.036 0.000 1.038 657 T CA 1.389 63.484 62.100 -0.007 0.000 1.144 657 T CB -0.223 68.645 68.868 0.000 0.000 0.866 657 T HN 0.366 nan 8.240 nan 0.000 0.434 658 A N 1.831 124.613 122.820 -0.063 0.000 1.902 658 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 658 A C 2.252 179.820 177.584 -0.027 0.000 1.181 658 A CA 2.001 53.977 52.037 -0.100 0.000 0.623 658 A CB -0.547 18.353 19.000 -0.166 0.000 0.818 658 A HN 0.343 nan 8.150 nan 0.000 0.443 659 R N 0.276 120.793 120.500 0.027 0.000 2.091 659 R HA -0.050 4.290 4.340 -0.000 0.000 0.238 659 R C 2.090 178.406 176.300 0.026 0.000 1.136 659 R CA 2.085 58.215 56.100 0.051 0.000 0.959 659 R CB -0.850 29.490 30.300 0.066 0.000 0.856 659 R HN 0.379 nan 8.270 nan 0.000 0.437 660 A N 0.067 122.893 122.820 0.010 0.000 1.930 660 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 660 A C 2.348 179.926 177.584 -0.011 0.000 1.175 660 A CA 1.513 53.551 52.037 0.002 0.000 0.627 660 A CB -0.907 18.093 19.000 -0.001 0.000 0.815 660 A HN 0.496 nan 8.150 nan 0.000 0.443 661 A N -1.271 121.532 122.820 -0.029 0.000 1.930 661 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 661 A C 0.912 178.478 177.584 -0.030 0.000 1.175 661 A CA 1.703 53.710 52.037 -0.050 0.000 0.627 661 A CB -0.051 18.891 19.000 -0.097 0.000 0.815 661 A HN 0.399 nan 8.150 nan 0.000 0.443 662 D N -2.773 117.625 120.400 -0.003 0.000 2.411 662 D HA 0.312 4.952 4.640 -0.000 0.000 0.239 662 D C -2.566 173.772 176.300 0.063 0.000 1.307 662 D CA -1.372 52.651 54.000 0.039 0.000 0.930 662 D CB 1.064 41.915 40.800 0.084 0.000 1.395 662 D HN -0.101 nan 8.370 nan 0.000 0.536 663 P HA 0.007 nan 4.420 nan 0.000 0.225 663 P C 0.958 178.300 177.300 0.070 0.000 1.148 663 P CA 0.745 63.879 63.100 0.056 0.000 0.779 663 P CB 0.401 32.125 31.700 0.039 0.000 0.780 664 A N -0.883 121.981 122.820 0.074 0.000 2.123 664 A HA 0.356 4.676 4.320 -0.000 0.000 0.214 664 A C 1.287 178.931 177.584 0.099 0.000 1.152 664 A CA 0.463 52.546 52.037 0.076 0.000 0.728 664 A CB -0.740 18.298 19.000 0.063 0.000 0.814 664 A HN 0.228 nan 8.150 nan 0.000 0.464 665 A N 0.308 123.212 122.820 0.140 0.000 2.327 665 A HA 0.532 4.852 4.320 -0.000 0.000 0.283 665 A C 0.047 177.737 177.584 0.177 0.000 1.127 665 A CA -0.523 51.623 52.037 0.180 0.000 0.810 665 A CB 0.278 19.484 19.000 0.342 0.000 1.066 665 A HN 0.353 nan 8.150 nan 0.000 0.492 666 K N 1.531 122.025 120.400 0.157 0.000 2.276 666 K HA 0.391 4.710 4.320 -0.000 0.000 0.283 666 K C -1.026 175.711 176.600 0.229 0.000 1.044 666 K CA 0.094 56.481 56.287 0.167 0.000 0.944 666 K CB 0.718 33.299 32.500 0.136 0.000 1.012 666 K HN 0.584 nan 8.250 nan 0.000 0.472 667 L N 4.055 125.441 121.223 0.273 0.000 2.257 667 L HA 0.343 4.683 4.340 -0.000 0.000 0.290 667 L C -0.443 176.714 176.870 0.479 0.000 1.044 667 L CA -0.906 54.165 54.840 0.385 0.000 0.810 667 L CB 0.945 43.286 42.059 0.471 0.000 1.193 667 L HN 0.643 nan 8.230 nan 0.000 0.425 668 c N 1.998 120.855 118.600 0.428 0.000 2.435 668 c HA 0.463 5.033 4.570 -0.000 0.000 0.333 668 c C -0.217 174.168 174.090 0.492 0.000 1.202 668 c CA -0.935 55.617 56.329 0.373 0.000 1.830 668 c CB 1.391 44.013 42.510 0.187 0.000 2.326 668 c HN 0.624 nan 8.230 nan 0.000 0.507 669 Y N 2.611 123.107 120.300 0.327 0.000 2.331 669 Y HA 0.529 5.079 4.550 -0.000 0.000 0.338 669 Y C -0.213 175.708 175.900 0.035 0.000 0.992 669 Y CA -0.258 58.019 58.100 0.294 0.000 1.121 669 Y CB 0.502 39.058 38.460 0.160 0.000 1.184 669 Y HN 0.789 nan 8.280 nan 0.000 0.469 670 N N 4.235 122.436 118.700 -0.831 0.000 2.321 670 N HA 0.436 5.176 4.740 -0.000 0.000 0.299 670 N C -1.975 173.124 175.510 -0.685 0.000 1.048 670 N CA -0.301 52.393 53.050 -0.593 0.000 0.836 670 N CB 1.319 39.638 38.487 -0.281 0.000 1.269 670 N HN 0.775 nan 8.380 nan 0.000 0.486 671 D N 0.126 120.247 120.400 -0.464 0.000 2.671 671 D HA 0.246 4.886 4.640 -0.000 0.000 0.273 671 D C -1.462 174.713 176.300 -0.208 0.000 1.264 671 D CA -0.276 53.530 54.000 -0.325 0.000 0.788 671 D CB 0.908 41.588 40.800 -0.199 0.000 1.324 671 D HN 0.423 nan 8.370 nan 0.000 0.424 672 Y N -0.452 119.730 120.300 -0.198 0.000 2.587 672 Y HA 0.570 5.120 4.550 -0.000 0.000 0.337 672 Y C 0.509 176.435 175.900 0.044 0.000 1.065 672 Y CA -0.928 57.123 58.100 -0.083 0.000 1.126 672 Y CB 0.564 39.000 38.460 -0.040 0.000 1.279 672 Y HN 0.275 nan 8.280 nan 0.000 0.489 673 N N 0.553 119.401 118.700 0.246 0.000 2.735 673 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 673 N C -0.387 175.361 175.510 0.398 0.000 1.083 673 N CA 1.464 54.721 53.050 0.344 0.000 0.703 673 N CB -1.421 37.124 38.487 0.098 0.000 1.005 673 N HN 0.876 nan 8.380 nan 0.000 0.550 674 I N -4.137 116.622 120.570 0.314 0.000 3.817 674 I HA 0.324 4.494 4.170 -0.000 0.000 0.325 674 I C 0.773 177.170 176.117 0.468 0.000 1.550 674 I CA -0.461 61.027 61.300 0.313 0.000 1.100 674 I CB 0.606 38.669 38.000 0.106 0.000 1.216 674 I HN -0.235 nan 8.210 nan 0.000 0.481 675 E N 1.037 121.466 120.200 0.381 0.000 2.216 675 E HA 0.089 4.439 4.350 -0.000 0.000 0.192 675 E C 0.716 177.388 176.600 0.120 0.000 0.973 675 E CA 0.286 56.874 56.400 0.313 0.000 0.851 675 E CB 0.070 29.764 29.700 -0.010 0.000 0.804 675 E HN 0.357 nan 8.360 nan 0.000 0.477 676 N N 0.851 119.335 118.700 -0.360 0.000 2.411 676 N HA -0.073 4.667 4.740 -0.000 0.000 0.259 676 N C 0.184 175.447 175.510 -0.411 0.000 1.103 676 N CA -0.079 52.523 53.050 -0.747 0.000 0.954 676 N CB 0.335 37.551 38.487 -2.118 0.000 1.085 676 N HN 0.271 nan 8.380 nan 0.000 0.485 677 W N 3.775 124.920 121.300 -0.259 0.000 2.350 677 W HA -0.223 4.437 4.660 -0.000 0.000 0.289 677 W C 1.315 177.760 176.519 -0.123 0.000 1.215 677 W CA 2.079 59.349 57.345 -0.125 0.000 1.236 677 W CB -0.107 29.284 29.460 -0.114 0.000 1.130 677 W HN 0.636 nan 8.180 nan 0.000 0.541 678 T N -2.188 112.160 114.554 -0.344 0.000 3.051 678 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 678 T C 0.510 175.139 174.700 -0.119 0.000 1.127 678 T CA 0.277 62.219 62.100 -0.263 0.000 1.107 678 T CB -0.664 68.145 68.868 -0.098 0.000 0.898 678 T HN -0.045 nan 8.240 nan 0.000 0.517 679 W N 1.175 122.360 121.300 -0.191 0.000 2.218 679 W HA 0.706 5.366 4.660 -0.000 0.000 0.326 679 W C 1.553 177.956 176.519 -0.194 0.000 1.276 679 W CA -1.627 55.635 57.345 -0.139 0.000 1.210 679 W CB 0.227 29.649 29.460 -0.063 0.000 1.143 679 W HN 0.212 nan 8.180 nan 0.000 0.563 680 A N 2.870 125.748 122.820 0.097 0.000 1.940 680 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 680 A C 2.103 179.696 177.584 0.015 0.000 1.176 680 A CA 1.850 53.892 52.037 0.008 0.000 0.631 680 A CB -0.475 18.536 19.000 0.019 0.000 0.814 680 A HN 0.701 nan 8.150 nan 0.000 0.446 681 K N -0.859 119.578 120.400 0.063 0.000 2.026 681 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 681 K C 2.045 178.629 176.600 -0.027 0.000 1.048 681 K CA 1.865 58.181 56.287 0.048 0.000 0.929 681 K CB -0.345 32.182 32.500 0.045 0.000 0.713 681 K HN 0.471 nan 8.250 nan 0.000 0.439 682 T N 1.529 116.111 114.554 0.046 0.000 2.684 682 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 682 T C 1.779 176.458 174.700 -0.034 0.000 1.036 682 T CA 1.600 63.739 62.100 0.064 0.000 1.148 682 T CB -0.185 68.710 68.868 0.045 0.000 0.863 682 T HN 0.412 nan 8.240 nan 0.000 0.436 683 Q N 0.254 119.901 119.800 -0.255 0.000 2.230 683 Q HA 0.042 4.382 4.340 -0.000 0.000 0.202 683 Q C 2.750 178.705 176.000 -0.075 0.000 0.963 683 Q CA 1.076 56.709 55.803 -0.284 0.000 0.866 683 Q CB -0.338 28.155 28.738 -0.408 0.000 0.931 683 Q HN 0.600 nan 8.270 nan 0.000 0.452 684 G N 0.608 109.357 108.800 -0.086 0.000 2.402 684 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 684 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 684 G C 1.527 176.226 174.900 -0.336 0.000 1.162 684 G CA 0.568 45.648 45.100 -0.035 0.000 0.777 684 G HN 0.185 nan 8.290 nan 0.000 0.539 685 V N -0.109 119.419 119.914 -0.643 0.000 2.427 685 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 685 V C 2.255 178.262 176.094 -0.144 0.000 1.051 685 V CA 1.678 63.546 62.300 -0.720 0.000 1.048 685 V CB -0.674 30.870 31.823 -0.466 0.000 0.666 685 V HN 0.492 nan 8.190 nan 0.000 0.456 686 Y N 2.024 122.288 120.300 -0.060 0.000 2.128 686 Y HA -0.265 4.284 4.550 -0.000 0.000 0.284 686 Y C 2.523 178.282 175.900 -0.235 0.000 1.154 686 Y CA 2.150 60.067 58.100 -0.305 0.000 1.149 686 Y CB -0.293 37.950 38.460 -0.361 0.000 0.976 686 Y HN 0.302 nan 8.280 nan 0.000 0.505 687 N N 0.202 118.882 118.700 -0.033 0.000 2.166 687 N HA -0.238 4.502 4.740 -0.000 0.000 0.186 687 N C 2.002 177.378 175.510 -0.222 0.000 1.019 687 N CA 1.802 54.802 53.050 -0.084 0.000 0.856 687 N CB -0.579 37.920 38.487 0.020 0.000 0.993 687 N HN 0.555 nan 8.380 nan 0.000 0.426 688 M N 0.488 119.917 119.600 -0.286 0.000 2.099 688 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 688 M C 1.589 177.431 176.300 -0.764 0.000 1.067 688 M CA 1.309 56.304 55.300 -0.508 0.000 1.124 688 M CB 0.034 32.315 32.600 -0.532 0.000 1.353 688 M HN -0.124 nan 8.290 nan 0.000 0.410 689 V N 0.755 120.312 119.914 -0.595 0.000 2.407 689 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 689 V C 2.515 178.412 176.094 -0.329 0.000 1.055 689 V CA 2.260 64.294 62.300 -0.442 0.000 1.049 689 V CB -1.101 30.610 31.823 -0.186 0.000 0.662 689 V HN 0.569 nan 8.190 nan 0.000 0.455 690 R N 0.445 120.684 120.500 -0.435 0.000 2.073 690 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 690 R C 2.144 178.346 176.300 -0.163 0.000 1.134 690 R CA 2.362 58.251 56.100 -0.353 0.000 0.952 690 R CB -0.503 29.529 30.300 -0.448 0.000 0.850 690 R HN 0.606 nan 8.270 nan 0.000 0.433 691 D N -0.385 119.930 120.400 -0.142 0.000 2.097 691 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 691 D C 1.684 178.065 176.300 0.134 0.000 0.989 691 D CA 1.310 55.304 54.000 -0.010 0.000 0.827 691 D CB -0.120 40.676 40.800 -0.007 0.000 0.966 691 D HN 0.177 nan 8.370 nan 0.000 0.456 692 F N 1.089 120.962 119.950 -0.129 0.000 2.095 692 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 692 F C 2.344 178.078 175.800 -0.109 0.000 1.104 692 F CA 0.985 58.905 58.000 -0.134 0.000 1.232 692 F CB -0.802 38.071 39.000 -0.211 0.000 0.987 692 F HN 0.009 nan 8.300 nan 0.000 0.475 693 K N 0.373 120.827 120.400 0.089 0.000 2.097 693 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 693 K C 1.961 178.566 176.600 0.009 0.000 1.049 693 K CA 0.983 57.283 56.287 0.021 0.000 0.933 693 K CB -0.767 31.723 32.500 -0.018 0.000 0.717 693 K HN 0.448 nan 8.250 nan 0.000 0.442 694 Q N 0.180 119.984 119.800 0.007 0.000 2.119 694 Q HA -0.050 4.290 4.340 -0.000 0.000 0.201 694 Q C 1.652 177.659 176.000 0.011 0.000 0.972 694 Q CA 1.119 56.925 55.803 0.003 0.000 0.847 694 Q CB 0.019 28.756 28.738 -0.002 0.000 0.903 694 Q HN 0.236 nan 8.270 nan 0.000 0.433 695 R N -0.887 119.626 120.500 0.022 0.000 2.334 695 R HA 0.122 4.462 4.340 -0.000 0.000 0.216 695 R C 0.711 177.005 176.300 -0.011 0.000 0.905 695 R CA 0.501 56.606 56.100 0.009 0.000 1.064 695 R CB 0.742 31.052 30.300 0.017 0.000 1.046 695 R HN 0.336 nan 8.270 nan 0.000 0.508 696 G N 1.072 109.866 108.800 -0.010 0.000 2.143 696 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.249 696 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.249 696 G C 0.212 175.081 174.900 -0.052 0.000 0.981 696 G CA 0.002 45.089 45.100 -0.021 0.000 0.665 696 G HN 0.143 nan 8.290 nan 0.000 0.528 697 V N 2.795 122.648 119.914 -0.102 0.000 2.529 697 V HA 0.310 4.430 4.120 -0.000 0.000 0.292 697 V C -0.942 175.063 176.094 -0.148 0.000 1.028 697 V CA -0.621 61.543 62.300 -0.225 0.000 1.074 697 V CB 1.050 32.511 31.823 -0.604 0.000 0.958 697 V HN 0.308 nan 8.190 nan 0.000 0.481 698 P HA 0.295 nan 4.420 nan 0.000 0.269 698 P C -0.657 176.666 177.300 0.038 0.000 1.263 698 P CA 0.323 63.431 63.100 0.014 0.000 0.813 698 P CB 0.734 32.474 31.700 0.068 0.000 0.868 699 I N 2.972 123.537 120.570 -0.008 0.000 2.571 699 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 699 I C -0.147 176.006 176.117 0.061 0.000 1.115 699 I CA -0.592 60.679 61.300 -0.049 0.000 1.045 699 I CB 2.445 40.267 38.000 -0.297 0.000 1.238 699 I HN 0.053 nan 8.210 nan 0.000 0.424 700 D N 5.939 126.422 120.400 0.138 0.000 2.454 700 D HA 0.193 4.833 4.640 -0.000 0.000 0.214 700 D C -0.166 176.215 176.300 0.135 0.000 1.088 700 D CA 0.446 54.523 54.000 0.129 0.000 0.855 700 D CB 0.670 41.557 40.800 0.144 0.000 1.025 700 D HN 0.577 nan 8.370 nan 0.000 0.502 701 c N -1.003 117.691 118.600 0.156 0.000 3.285 701 c HA 0.750 5.320 4.570 -0.000 0.000 0.325 701 c C -0.701 173.467 174.090 0.131 0.000 1.304 701 c CA -1.012 55.406 56.329 0.149 0.000 1.319 701 c CB 1.506 44.108 42.510 0.153 0.000 1.640 701 c HN -0.111 nan 8.230 nan 0.000 0.477 702 V N 1.357 121.317 119.914 0.077 0.000 2.487 702 V HA 0.799 4.919 4.120 -0.000 0.000 0.298 702 V C 0.636 176.607 176.094 -0.204 0.000 1.028 702 V CA 0.245 62.478 62.300 -0.111 0.000 0.860 702 V CB 1.822 33.450 31.823 -0.325 0.000 0.991 702 V HN 1.364 nan 8.190 nan 0.000 0.427 703 G N 3.375 111.995 108.800 -0.301 0.000 2.335 703 G HA2 0.631 4.591 3.960 -0.000 0.000 0.316 703 G HA3 0.631 4.591 3.960 -0.000 0.000 0.316 703 G C -1.111 173.513 174.900 -0.460 0.000 1.129 703 G CA -0.260 44.707 45.100 -0.221 0.000 0.899 703 G HN 0.431 nan 8.290 nan 0.000 0.448 704 F N 1.391 121.298 119.950 -0.071 0.000 2.332 704 F HA 0.287 4.814 4.527 -0.000 0.000 0.368 704 F C 1.672 177.377 175.800 -0.158 0.000 1.110 704 F CA -0.632 57.334 58.000 -0.056 0.000 1.087 704 F CB 1.920 41.011 39.000 0.152 0.000 1.235 704 F HN 0.541 nan 8.300 nan 0.000 0.470 705 Q N 1.221 120.926 119.800 -0.159 0.000 2.152 705 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 705 Q C 0.727 176.386 176.000 -0.569 0.000 0.985 705 Q CA 1.543 57.117 55.803 -0.382 0.000 0.863 705 Q CB -0.155 28.391 28.738 -0.320 0.000 0.904 705 Q HN 0.767 nan 8.270 nan 0.000 0.422 706 S N 0.268 115.651 115.700 -0.528 0.000 3.706 706 S HA -0.120 4.350 4.470 -0.000 0.000 0.363 706 S C -0.743 173.217 174.600 -1.067 0.000 0.999 706 S CA 0.093 57.680 58.200 -1.021 0.000 1.143 706 S CB -1.500 61.318 63.200 -0.638 0.000 0.902 706 S HN 0.417 nan 8.310 nan 0.000 0.476 707 H N 0.710 119.469 119.070 -0.518 0.000 2.882 707 H HA 0.309 4.865 4.556 -0.000 0.000 0.258 707 H C 0.112 175.347 175.328 -0.155 0.000 1.579 707 H CA -0.187 55.753 56.048 -0.181 0.000 1.340 707 H CB -0.390 29.408 29.762 0.061 0.000 1.645 707 H HN 0.291 nan 8.280 nan 0.000 0.541 708 F N 2.704 122.744 119.950 0.151 0.000 2.396 708 F HA 0.164 4.691 4.527 -0.000 0.000 0.343 708 F C 0.892 176.754 175.800 0.105 0.000 1.104 708 F CA -0.594 57.474 58.000 0.114 0.000 1.161 708 F CB 0.804 39.832 39.000 0.046 0.000 1.146 708 F HN 0.501 nan 8.300 nan 0.000 0.522 709 N N -2.032 116.855 118.700 0.312 0.000 3.106 709 N HA 0.214 4.954 4.740 -0.000 0.000 0.253 709 N C -0.011 175.596 175.510 0.161 0.000 1.506 709 N CA -0.384 52.776 53.050 0.183 0.000 0.876 709 N CB 0.534 39.090 38.487 0.116 0.000 1.452 709 N HN 0.225 nan 8.380 nan 0.000 0.542 710 S N -2.270 113.495 115.700 0.108 0.000 2.507 710 S HA 0.052 4.522 4.470 -0.000 0.000 0.235 710 S C 1.518 176.175 174.600 0.096 0.000 0.988 710 S CA 0.956 59.213 58.200 0.095 0.000 0.944 710 S CB -1.107 62.133 63.200 0.066 0.000 0.762 710 S HN 0.775 nan 8.310 nan 0.000 0.526 711 G N 0.454 109.310 108.800 0.092 0.000 2.426 711 G HA2 0.192 4.152 3.960 -0.000 0.000 0.214 711 G HA3 0.192 4.152 3.960 -0.000 0.000 0.214 711 G C 0.485 175.449 174.900 0.107 0.000 1.156 711 G CA 0.302 45.445 45.100 0.073 0.000 0.802 711 G HN 0.557 nan 8.290 nan 0.000 0.534 712 S N 1.953 117.763 115.700 0.182 0.000 2.216 712 S HA 0.376 4.846 4.470 -0.000 0.000 0.156 712 S C -2.808 172.054 174.600 0.437 0.000 1.665 712 S CA -0.779 57.612 58.200 0.318 0.000 1.262 712 S CB 2.302 65.665 63.200 0.272 0.000 1.207 712 S HN 0.181 nan 8.310 nan 0.000 0.427 713 P HA 0.109 nan 4.420 nan 0.000 0.274 713 P C -0.482 176.865 177.300 0.078 0.000 1.231 713 P CA -0.405 62.826 63.100 0.219 0.000 0.790 713 P CB 0.536 32.312 31.700 0.127 0.000 0.951 714 Y N 3.089 123.152 120.300 -0.395 0.000 2.597 714 Y HA 0.116 4.666 4.550 -0.000 0.000 0.336 714 Y C 0.055 175.711 175.900 -0.407 0.000 1.216 714 Y CA 0.413 57.953 58.100 -0.933 0.000 1.463 714 Y CB 0.190 37.877 38.460 -1.288 0.000 1.303 714 Y HN 0.351 nan 8.280 nan 0.000 0.576 715 N N 2.580 120.534 118.700 -1.244 0.000 2.238 715 N HA 0.092 4.832 4.740 -0.000 0.000 0.302 715 N C 0.254 175.097 175.510 -1.111 0.000 1.072 715 N CA 0.179 52.705 53.050 -0.874 0.000 0.792 715 N CB 2.050 40.240 38.487 -0.495 0.000 1.425 715 N HN 0.812 nan 8.380 nan 0.000 0.478 716 S N 2.169 117.487 115.700 -0.637 0.000 2.465 716 S HA -0.207 4.263 4.470 -0.000 0.000 0.241 716 S C 1.141 175.636 174.600 -0.176 0.000 1.000 716 S CA 1.180 59.200 58.200 -0.301 0.000 0.964 716 S CB -0.538 62.613 63.200 -0.083 0.000 0.763 716 S HN 0.771 nan 8.310 nan 0.000 0.512 717 N N 0.953 119.536 118.700 -0.195 0.000 2.571 717 N HA -0.036 4.704 4.740 -0.000 0.000 0.189 717 N C 0.942 176.443 175.510 -0.014 0.000 1.154 717 N CA 0.213 53.207 53.050 -0.094 0.000 0.907 717 N CB -0.963 37.487 38.487 -0.062 0.000 0.977 717 N HN 0.417 nan 8.380 nan 0.000 0.449 718 F N 1.686 121.499 119.950 -0.228 0.000 2.216 718 F HA 0.043 4.570 4.527 0.000 0.000 0.300 718 F C 2.280 178.020 175.800 -0.100 0.000 1.085 718 F CA 0.833 58.751 58.000 -0.137 0.000 1.326 718 F CB -0.279 38.680 39.000 -0.069 0.000 1.027 718 F HN 0.092 nan 8.300 nan 0.000 0.497 719 R N -0.152 120.276 120.500 -0.121 0.000 2.081 719 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 719 R C 2.336 178.496 176.300 -0.233 0.000 1.131 719 R CA 2.066 58.027 56.100 -0.232 0.000 0.960 719 R CB -0.599 29.633 30.300 -0.113 0.000 0.856 719 R HN 0.471 nan 8.270 nan 0.000 0.436 720 T N -2.612 111.832 114.554 -0.184 0.000 2.867 720 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 720 T C 1.794 176.334 174.700 -0.267 0.000 1.057 720 T CA 1.662 63.613 62.100 -0.249 0.000 1.136 720 T CB -0.358 68.330 68.868 -0.299 0.000 0.874 720 T HN 0.158 nan 8.240 nan 0.000 0.466 721 T N 2.453 116.944 114.554 -0.105 0.000 2.708 721 T HA 0.110 4.460 4.350 -0.000 0.000 0.266 721 T C 1.893 176.638 174.700 0.076 0.000 1.037 721 T CA 1.372 63.564 62.100 0.154 0.000 1.146 721 T CB -0.507 68.567 68.868 0.344 0.000 0.865 721 T HN 0.304 nan 8.240 nan 0.000 0.435 722 L N 0.746 121.778 121.223 -0.318 0.000 2.046 722 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 722 L C 2.905 179.720 176.870 -0.091 0.000 1.077 722 L CA 1.494 56.115 54.840 -0.365 0.000 0.747 722 L CB -0.646 41.035 42.059 -0.629 0.000 0.896 722 L HN 0.352 nan 8.230 nan 0.000 0.432 723 Q N -0.337 119.381 119.800 -0.137 0.000 2.084 723 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 723 Q C 2.057 178.024 176.000 -0.055 0.000 0.978 723 Q CA 1.366 57.109 55.803 -0.099 0.000 0.844 723 Q CB -0.165 28.484 28.738 -0.148 0.000 0.898 723 Q HN 0.486 nan 8.270 nan 0.000 0.426 724 N N 0.302 118.936 118.700 -0.110 0.000 2.069 724 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 724 N C 1.508 177.097 175.510 0.132 0.000 1.031 724 N CA 1.249 54.218 53.050 -0.134 0.000 0.852 724 N CB -0.355 37.805 38.487 -0.545 0.000 1.018 724 N HN 0.174 nan 8.380 nan 0.000 0.423 725 F N 1.257 121.338 119.950 0.218 0.000 2.146 725 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 725 F C 2.381 178.253 175.800 0.120 0.000 1.096 725 F CA 0.940 59.092 58.000 0.252 0.000 1.275 725 F CB -0.536 38.677 39.000 0.355 0.000 1.008 725 F HN 0.009 nan 8.300 nan 0.000 0.480 726 A N 0.028 122.994 122.820 0.244 0.000 1.940 726 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 726 A C 2.319 179.950 177.584 0.077 0.000 1.176 726 A CA 1.642 53.756 52.037 0.129 0.000 0.631 726 A CB -1.264 17.773 19.000 0.061 0.000 0.814 726 A HN 0.298 nan 8.150 nan 0.000 0.446 727 A N -0.664 122.190 122.820 0.057 0.000 2.172 727 A HA 0.128 4.448 4.320 -0.000 0.000 0.216 727 A C 1.850 179.445 177.584 0.017 0.000 1.154 727 A CA 1.020 53.072 52.037 0.024 0.000 0.701 727 A CB -0.488 18.515 19.000 0.004 0.000 0.789 727 A HN 0.486 nan 8.150 nan 0.000 0.465 728 L N -1.508 119.724 121.223 0.016 0.000 2.554 728 L HA 0.168 4.508 4.340 -0.000 0.000 0.226 728 L C 1.550 178.415 176.870 -0.008 0.000 1.137 728 L CA 0.606 55.420 54.840 -0.043 0.000 0.863 728 L CB -0.144 41.828 42.059 -0.145 0.000 0.985 728 L HN 0.567 nan 8.230 nan 0.000 0.451 729 G N 0.830 109.645 108.800 0.026 0.000 2.140 729 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.211 729 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.211 729 G C -0.012 174.920 174.900 0.053 0.000 1.013 729 G CA 0.039 45.158 45.100 0.032 0.000 0.705 729 G HN 0.217 nan 8.290 nan 0.000 0.508 730 V N -3.311 116.652 119.914 0.082 0.000 3.001 730 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 730 V C -0.210 175.957 176.094 0.123 0.000 1.099 730 V CA -1.466 60.897 62.300 0.106 0.000 0.989 730 V CB 2.130 34.031 31.823 0.131 0.000 1.040 730 V HN 0.029 nan 8.190 nan 0.000 0.434 731 D N 1.209 121.681 120.400 0.120 0.000 2.348 731 D HA 0.617 5.257 4.640 -0.000 0.000 0.249 731 D C -0.067 176.324 176.300 0.152 0.000 1.110 731 D CA 0.108 54.179 54.000 0.118 0.000 0.967 731 D CB 2.029 42.895 40.800 0.110 0.000 1.139 731 D HN 0.957 nan 8.370 nan 0.000 0.466 732 V N -2.969 117.030 119.914 0.143 0.000 2.914 732 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 732 V C -0.919 175.271 176.094 0.160 0.000 1.084 732 V CA -0.953 61.470 62.300 0.206 0.000 0.963 732 V CB 1.546 33.486 31.823 0.196 0.000 1.025 732 V HN 0.688 nan 8.190 nan 0.000 0.432 733 A N 3.519 126.476 122.820 0.229 0.000 2.520 733 A HA 0.846 5.166 4.320 -0.000 0.000 0.298 733 A C -0.996 176.720 177.584 0.220 0.000 1.051 733 A CA -0.657 51.479 52.037 0.165 0.000 0.690 733 A CB 1.540 20.650 19.000 0.182 0.000 1.281 733 A HN 0.963 nan 8.150 nan 0.000 0.402 734 I N 2.774 123.426 120.570 0.136 0.000 2.301 734 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 734 I C 1.503 177.650 176.117 0.050 0.000 1.046 734 I CA 0.064 61.453 61.300 0.148 0.000 1.282 734 I CB 1.569 39.651 38.000 0.135 0.000 1.409 734 I HN 0.907 nan 8.210 nan 0.000 0.484 735 T N 0.852 115.400 114.554 -0.009 0.000 3.040 735 T HA 0.170 4.520 4.350 -0.000 0.000 0.252 735 T C 0.818 175.413 174.700 -0.176 0.000 1.064 735 T CA 0.300 62.352 62.100 -0.080 0.000 1.110 735 T CB 0.108 68.895 68.868 -0.134 0.000 0.921 735 T HN 0.584 nan 8.240 nan 0.000 0.480 736 E N 0.880 120.880 120.200 -0.333 0.000 3.843 736 E HA 0.308 4.658 4.350 -0.000 0.000 0.189 736 E C -1.051 175.322 176.600 -0.379 0.000 1.013 736 E CA -0.483 55.637 56.400 -0.467 0.000 1.395 736 E CB 0.692 29.660 29.700 -1.220 0.000 1.136 736 E HN 0.218 nan 8.360 nan 0.000 0.444 737 L N 3.079 124.224 121.223 -0.129 0.000 2.559 737 L HA 0.062 4.402 4.340 -0.000 0.000 0.274 737 L C -0.664 176.317 176.870 0.184 0.000 1.205 737 L CA 0.809 55.626 54.840 -0.037 0.000 0.907 737 L CB 0.020 42.130 42.059 0.085 0.000 1.153 737 L HN 0.159 nan 8.230 nan 0.000 0.490 738 D N 4.176 124.674 120.400 0.163 0.000 2.803 738 D HA 0.482 5.122 4.640 -0.000 0.000 0.218 738 D C -0.978 175.442 176.300 0.200 0.000 1.245 738 D CA -0.344 53.851 54.000 0.325 0.000 0.821 738 D CB 0.598 41.706 40.800 0.513 0.000 1.626 738 D HN 0.380 nan 8.370 nan 0.000 0.487 739 I N 0.836 121.498 120.570 0.153 0.000 2.439 739 I HA 0.218 4.388 4.170 -0.000 0.000 0.285 739 I C -0.095 176.117 176.117 0.159 0.000 1.021 739 I CA -0.936 60.424 61.300 0.100 0.000 1.091 739 I CB 2.062 39.949 38.000 -0.188 0.000 1.242 739 I HN 0.386 nan 8.210 nan 0.000 0.439 740 Q N 5.283 125.176 119.800 0.154 0.000 2.262 740 Q HA 0.130 4.470 4.340 -0.000 0.000 0.298 740 Q C 1.126 177.191 176.000 0.108 0.000 1.083 740 Q CA 1.496 57.371 55.803 0.120 0.000 0.962 740 Q CB 0.387 29.182 28.738 0.095 0.000 1.104 740 Q HN 1.026 nan 8.270 nan 0.000 0.376 741 G N 3.231 112.096 108.800 0.109 0.000 2.258 741 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.233 741 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.233 741 G C 0.502 175.477 174.900 0.124 0.000 1.006 741 G CA 0.155 45.310 45.100 0.092 0.000 0.620 741 G HN 1.885 nan 8.290 nan 0.000 0.511 742 A N -0.907 122.029 122.820 0.194 0.000 2.687 742 A HA 0.098 4.418 4.320 -0.000 0.000 0.299 742 A C 1.263 179.008 177.584 0.268 0.000 1.497 742 A CA 1.832 54.071 52.037 0.337 0.000 0.751 742 A CB -1.995 17.182 19.000 0.296 0.000 1.048 742 A HN 2.485 nan 8.150 nan 0.000 0.464 743 S N -0.066 115.734 115.700 0.167 0.000 2.544 743 S HA 0.314 4.784 4.470 -0.000 0.000 0.290 743 S C 1.538 176.230 174.600 0.153 0.000 1.276 743 S CA 0.464 58.725 58.200 0.102 0.000 1.075 743 S CB 0.557 63.782 63.200 0.041 0.000 0.849 743 S HN 1.039 nan 8.310 nan 0.000 0.494 744 S N 3.810 119.567 115.700 0.096 0.000 2.368 744 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 744 S C 2.284 176.934 174.600 0.083 0.000 1.030 744 S CA 1.487 59.746 58.200 0.099 0.000 0.999 744 S CB -0.553 62.678 63.200 0.052 0.000 0.844 744 S HN 1.000 nan 8.310 nan 0.000 0.459 745 S N 1.367 117.091 115.700 0.040 0.000 2.368 745 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 745 S C 1.885 176.461 174.600 -0.039 0.000 1.030 745 S CA 1.638 59.846 58.200 0.013 0.000 0.999 745 S CB -1.131 62.075 63.200 0.011 0.000 0.844 745 S HN 0.465 nan 8.310 nan 0.000 0.459 746 T N 0.681 115.192 114.554 -0.072 0.000 2.777 746 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 746 T C 1.482 176.009 174.700 -0.288 0.000 1.040 746 T CA 1.331 63.276 62.100 -0.258 0.000 1.141 746 T CB -0.547 68.177 68.868 -0.240 0.000 0.868 746 T HN 0.426 nan 8.240 nan 0.000 0.444 747 Y N 1.573 121.808 120.300 -0.109 0.000 2.224 747 Y HA 0.002 4.552 4.550 -0.000 0.000 0.289 747 Y C 2.653 178.521 175.900 -0.054 0.000 1.146 747 Y CA 0.662 58.736 58.100 -0.043 0.000 1.182 747 Y CB -0.666 37.805 38.460 0.019 0.000 0.983 747 Y HN 0.204 nan 8.280 nan 0.000 0.524 748 A N -0.474 122.405 122.820 0.098 0.000 1.930 748 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 748 A C 2.425 180.003 177.584 -0.010 0.000 1.175 748 A CA 1.558 53.621 52.037 0.044 0.000 0.627 748 A CB -1.191 17.826 19.000 0.029 0.000 0.815 748 A HN 0.395 nan 8.150 nan 0.000 0.443 749 A N -0.469 122.291 122.820 -0.101 0.000 1.902 749 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 749 A C 2.217 179.709 177.584 -0.154 0.000 1.181 749 A CA 1.826 53.776 52.037 -0.144 0.000 0.623 749 A CB -0.932 17.907 19.000 -0.269 0.000 0.818 749 A HN 0.382 nan 8.150 nan 0.000 0.443 750 V N -0.245 119.493 119.914 -0.294 0.000 2.358 750 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 750 V C 2.732 178.894 176.094 0.112 0.000 1.047 750 V CA 2.426 64.692 62.300 -0.057 0.000 1.035 750 V CB -1.241 30.541 31.823 -0.069 0.000 0.658 750 V HN 0.611 nan 8.190 nan 0.000 0.452 751 T N 0.321 114.938 114.554 0.106 0.000 2.746 751 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 751 T C 1.807 176.554 174.700 0.079 0.000 1.039 751 T CA 1.558 63.742 62.100 0.140 0.000 1.142 751 T CB -0.365 68.598 68.868 0.158 0.000 0.866 751 T HN 0.417 nan 8.240 nan 0.000 0.444 752 N N 1.260 119.990 118.700 0.050 0.000 2.309 752 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 752 N C 1.437 176.959 175.510 0.021 0.000 1.018 752 N CA 0.777 53.845 53.050 0.030 0.000 0.876 752 N CB -0.290 38.211 38.487 0.023 0.000 0.972 752 N HN 0.379 nan 8.380 nan 0.000 0.434 753 D N 0.224 120.649 120.400 0.042 0.000 2.117 753 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 753 D C 2.001 178.255 176.300 -0.076 0.000 0.982 753 D CA 0.528 54.525 54.000 -0.005 0.000 0.828 753 D CB -0.471 40.363 40.800 0.057 0.000 0.967 753 D HN 0.187 nan 8.370 nan 0.000 0.464 754 c N 0.513 119.091 118.600 -0.036 0.000 2.446 754 c HA -0.022 4.548 4.570 -0.000 0.000 0.277 754 c C 2.765 176.824 174.090 -0.051 0.000 1.275 754 c CA 0.270 56.560 56.329 -0.065 0.000 1.727 754 c CB -1.242 41.252 42.510 -0.026 0.000 2.010 754 c HN 0.277 nan 8.230 nan 0.000 0.486 755 L N 1.005 122.216 121.223 -0.020 0.000 2.265 755 L HA -0.061 4.279 4.340 -0.000 0.000 0.215 755 L C 2.774 179.627 176.870 -0.027 0.000 1.117 755 L CA 1.354 56.184 54.840 -0.016 0.000 0.782 755 L CB -0.498 41.562 42.059 0.001 0.000 0.914 755 L HN 0.465 nan 8.230 nan 0.000 0.441 756 A N -0.927 121.870 122.820 -0.039 0.000 2.123 756 A HA 0.136 4.456 4.320 -0.000 0.000 0.214 756 A C 0.911 178.459 177.584 -0.060 0.000 1.152 756 A CA 0.228 52.238 52.037 -0.046 0.000 0.728 756 A CB 0.076 19.047 19.000 -0.048 0.000 0.814 756 A HN 0.117 nan 8.150 nan 0.000 0.464 757 V N 1.614 121.484 119.914 -0.074 0.000 2.328 757 V HA 0.151 4.271 4.120 -0.000 0.000 0.278 757 V C 1.515 177.579 176.094 -0.050 0.000 1.021 757 V CA 0.264 62.518 62.300 -0.076 0.000 0.838 757 V CB 0.881 32.632 31.823 -0.119 0.000 0.999 757 V HN 0.602 nan 8.190 nan 0.000 0.447 758 S N 4.740 120.420 115.700 -0.033 0.000 2.402 758 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 758 S C 1.543 176.138 174.600 -0.008 0.000 1.030 758 S CA 1.019 59.208 58.200 -0.018 0.000 1.003 758 S CB -0.211 62.983 63.200 -0.011 0.000 0.813 758 S HN 0.673 nan 8.310 nan 0.000 0.477 759 R N 0.122 120.619 120.500 -0.005 0.000 2.310 759 R HA 0.204 4.544 4.340 -0.000 0.000 0.202 759 R C 0.242 176.550 176.300 0.013 0.000 0.933 759 R CA 0.042 56.152 56.100 0.016 0.000 1.054 759 R CB -0.837 29.485 30.300 0.035 0.000 0.985 759 R HN 0.492 nan 8.270 nan 0.000 0.489 760 c N 1.797 120.384 118.600 -0.022 0.000 2.442 760 c HA 0.208 4.778 4.570 -0.000 0.000 0.362 760 c C 2.023 176.077 174.090 -0.061 0.000 1.242 760 c CA -0.616 55.687 56.329 -0.042 0.000 1.741 760 c CB -0.973 41.486 42.510 -0.086 0.000 2.378 760 c HN 0.457 nan 8.230 nan 0.000 0.549 761 L N 5.459 126.656 121.223 -0.043 0.000 2.141 761 L HA 0.237 4.576 4.340 -0.000 0.000 0.209 761 L C 1.546 178.154 176.870 -0.438 0.000 1.094 761 L CA 1.173 55.975 54.840 -0.064 0.000 0.763 761 L CB -0.741 41.407 42.059 0.149 0.000 0.908 761 L HN 0.960 nan 8.230 nan 0.000 0.437 762 G N -0.710 107.715 108.800 -0.625 0.000 2.327 762 G HA2 0.379 4.339 3.960 -0.000 0.000 0.291 762 G HA3 0.379 4.339 3.960 -0.000 0.000 0.291 762 G C -2.054 172.442 174.900 -0.673 0.000 1.290 762 G CA -0.780 43.690 45.100 -1.050 0.000 0.857 762 G HN -0.136 nan 8.290 nan 0.000 0.520 763 I N 0.158 120.369 120.570 -0.597 0.000 2.582 763 I HA 0.629 4.799 4.170 -0.000 0.000 0.292 763 I C -0.076 175.780 176.117 -0.435 0.000 1.066 763 I CA -0.491 60.568 61.300 -0.402 0.000 1.053 763 I CB 2.593 40.332 38.000 -0.435 0.000 1.241 763 I HN 0.420 nan 8.210 nan 0.000 0.421 764 T N 5.071 119.524 114.554 -0.168 0.000 2.812 764 T HA 0.584 4.934 4.350 -0.000 0.000 0.282 764 T C -0.423 174.264 174.700 -0.022 0.000 0.990 764 T CA -0.599 61.449 62.100 -0.087 0.000 0.960 764 T CB 1.357 70.261 68.868 0.061 0.000 0.948 764 T HN 0.411 nan 8.240 nan 0.000 0.438 765 V N 1.141 121.073 119.914 0.030 0.000 2.567 765 V HA 0.476 4.596 4.120 -0.000 0.000 0.289 765 V C 0.266 176.496 176.094 0.227 0.000 1.049 765 V CA -1.121 61.315 62.300 0.228 0.000 0.969 765 V CB 1.290 33.363 31.823 0.418 0.000 0.995 765 V HN 1.012 nan 8.190 nan 0.000 0.471 766 W N 4.874 126.202 121.300 0.046 0.000 1.395 766 W HA 0.540 5.200 4.660 -0.000 0.000 0.451 766 W C 0.586 177.144 176.519 0.066 0.000 0.619 766 W CA 0.616 57.967 57.345 0.010 0.000 2.212 766 W CB -0.011 29.486 29.460 0.062 0.000 1.537 766 W HN 1.221 nan 8.180 nan 0.000 0.275 767 G N -0.156 108.547 108.800 -0.163 0.000 2.340 767 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.527 767 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.527 767 G C -0.561 174.326 174.900 -0.020 0.000 1.381 767 G CA -0.651 44.373 45.100 -0.127 0.000 1.001 767 G HN 0.007 nan 8.290 nan 0.000 0.626 768 V N 0.330 120.254 119.914 0.016 0.000 2.398 768 V HA 0.298 4.418 4.120 -0.000 0.000 0.236 768 V C 1.522 177.740 176.094 0.207 0.000 1.054 768 V CA 1.557 63.886 62.300 0.048 0.000 1.060 768 V CB -0.420 31.268 31.823 -0.225 0.000 0.707 768 V HN 0.683 nan 8.190 nan 0.000 0.480 769 R N 0.427 121.044 120.500 0.195 0.000 2.720 769 R HA 0.312 4.652 4.340 -0.000 0.000 0.272 769 R C 0.606 177.028 176.300 0.204 0.000 0.991 769 R CA -0.671 55.566 56.100 0.229 0.000 1.010 769 R CB 0.879 31.286 30.300 0.179 0.000 1.141 769 R HN 0.140 nan 8.270 nan 0.000 0.494 770 D N 0.646 121.161 120.400 0.192 0.000 2.158 770 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 770 D C 1.624 178.004 176.300 0.133 0.000 0.995 770 D CA 2.128 56.226 54.000 0.164 0.000 0.846 770 D CB -0.164 40.715 40.800 0.132 0.000 0.941 770 D HN 0.690 nan 8.370 nan 0.000 0.456 771 T N -1.681 112.941 114.554 0.112 0.000 3.051 771 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 771 T C 1.095 175.840 174.700 0.074 0.000 1.127 771 T CA 0.756 62.904 62.100 0.081 0.000 1.107 771 T CB 0.059 68.964 68.868 0.062 0.000 0.898 771 T HN 0.004 nan 8.240 nan 0.000 0.517 772 D N 1.100 121.562 120.400 0.102 0.000 2.360 772 D HA 0.151 4.791 4.640 -0.000 0.000 0.210 772 D C 0.808 177.173 176.300 0.107 0.000 1.047 772 D CA 0.100 54.148 54.000 0.079 0.000 0.854 772 D CB 0.218 41.100 40.800 0.137 0.000 0.936 772 D HN 0.412 nan 8.370 nan 0.000 0.514 773 S N 1.186 116.985 115.700 0.165 0.000 2.572 773 S HA 0.023 4.493 4.470 -0.000 0.000 0.279 773 S C 1.284 176.073 174.600 0.316 0.000 1.341 773 S CA -0.768 57.595 58.200 0.272 0.000 1.043 773 S CB 0.582 63.952 63.200 0.283 0.000 0.887 773 S HN 0.343 nan 8.310 nan 0.000 0.516 774 W N 5.052 126.422 121.300 0.116 0.000 2.699 774 W HA 0.160 4.820 4.660 0.000 0.000 0.249 774 W C 0.267 176.834 176.519 0.080 0.000 1.280 774 W CA 0.006 57.414 57.345 0.106 0.000 1.345 774 W CB -0.741 28.824 29.460 0.174 0.000 1.128 774 W HN 0.623 nan 8.180 nan 0.000 0.642 775 R N 1.423 121.847 120.500 -0.126 0.000 2.701 775 R HA 0.075 4.415 4.340 -0.000 0.000 0.281 775 R C 1.616 177.891 176.300 -0.042 0.000 1.367 775 R CA 0.516 56.452 56.100 -0.274 0.000 1.510 775 R CB 0.397 30.359 30.300 -0.564 0.000 1.306 775 R HN 0.052 nan 8.270 nan 0.000 0.682 776 S N -0.924 114.791 115.700 0.025 0.000 2.419 776 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 776 S C 1.942 176.564 174.600 0.037 0.000 1.019 776 S CA 1.391 59.626 58.200 0.058 0.000 0.982 776 S CB -0.139 63.097 63.200 0.059 0.000 0.789 776 S HN 0.555 nan 8.310 nan 0.000 0.490 777 G N 1.109 109.911 108.800 0.003 0.000 2.509 777 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 777 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 777 G C 0.845 175.752 174.900 0.012 0.000 1.124 777 G CA 0.745 45.848 45.100 0.004 0.000 0.776 777 G HN 0.519 nan 8.290 nan 0.000 0.547 778 D N 0.550 120.957 120.400 0.012 0.000 2.340 778 D HA 0.055 4.695 4.640 -0.000 0.000 0.217 778 D C 1.438 177.785 176.300 0.079 0.000 1.081 778 D CA 0.853 54.874 54.000 0.036 0.000 0.842 778 D CB -0.240 40.573 40.800 0.023 0.000 0.934 778 D HN 0.329 nan 8.370 nan 0.000 0.511 779 T N -0.177 114.427 114.554 0.083 0.000 3.107 779 T HA -0.161 4.189 4.350 -0.000 0.000 0.431 779 T C -1.701 173.092 174.700 0.155 0.000 0.773 779 T CA 0.132 62.297 62.100 0.108 0.000 2.334 779 T CB -0.904 68.010 68.868 0.077 0.000 1.592 779 T HN 0.160 nan 8.240 nan 0.000 0.542 780 P HA 0.335 nan 4.420 nan 0.000 0.261 780 P C 0.654 178.196 177.300 0.404 0.000 1.268 780 P CA -0.253 63.018 63.100 0.284 0.000 0.833 780 P CB 0.413 32.275 31.700 0.270 0.000 1.231 781 L N -0.994 120.432 121.223 0.339 0.000 2.585 781 L HA 0.383 4.722 4.340 -0.000 0.000 0.260 781 L C 1.944 178.937 176.870 0.206 0.000 1.085 781 L CA -1.052 54.001 54.840 0.354 0.000 0.913 781 L CB 0.407 42.666 42.059 0.334 0.000 1.638 781 L HN -0.290 nan 8.230 nan 0.000 0.531 782 L N -0.750 120.581 121.223 0.179 0.000 2.554 782 L HA 0.216 4.556 4.340 -0.000 0.000 0.225 782 L C -0.533 176.223 176.870 -0.189 0.000 1.104 782 L CA 0.309 55.122 54.840 -0.046 0.000 0.866 782 L CB 0.154 42.192 42.059 -0.035 0.000 1.047 782 L HN 0.222 nan 8.230 nan 0.000 0.468 783 F N 0.083 120.089 119.950 0.093 0.000 2.532 783 F HA 0.305 4.832 4.527 -0.000 0.000 0.321 783 F C 0.344 176.171 175.800 0.045 0.000 1.089 783 F CA -1.355 56.669 58.000 0.040 0.000 0.926 783 F CB 1.185 40.208 39.000 0.039 0.000 1.168 783 F HN -0.069 nan 8.300 nan 0.000 0.459 784 N N 0.107 118.909 118.700 0.170 0.000 2.476 784 N HA 0.400 5.140 4.740 -0.000 0.000 0.287 784 N C 1.163 176.746 175.510 0.120 0.000 1.262 784 N CA -0.273 52.844 53.050 0.112 0.000 0.980 784 N CB 0.008 38.519 38.487 0.039 0.000 1.163 784 N HN 0.618 nan 8.380 nan 0.000 0.592 785 G N -0.602 108.248 108.800 0.083 0.000 2.469 785 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.219 785 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.219 785 G C 0.604 175.540 174.900 0.061 0.000 1.150 785 G CA 1.524 46.666 45.100 0.071 0.000 0.763 785 G HN 0.888 nan 8.290 nan 0.000 0.561 786 D N -0.801 119.627 120.400 0.046 0.000 2.324 786 D HA 0.294 4.934 4.640 -0.000 0.000 0.235 786 D C 1.662 177.988 176.300 0.044 0.000 1.095 786 D CA 0.632 54.653 54.000 0.034 0.000 0.871 786 D CB -0.521 40.287 40.800 0.013 0.000 0.906 786 D HN 0.529 nan 8.370 nan 0.000 0.522 787 G N 0.005 108.854 108.800 0.081 0.000 2.179 787 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 787 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 787 G C 0.406 175.417 174.900 0.186 0.000 0.977 787 G CA 0.388 45.554 45.100 0.110 0.000 0.641 787 G HN 0.815 nan 8.290 nan 0.000 0.533 788 S N -0.267 115.497 115.700 0.107 0.000 2.580 788 S HA 0.604 5.074 4.470 -0.000 0.000 0.274 788 S C 0.243 174.818 174.600 -0.041 0.000 1.329 788 S CA -0.371 57.847 58.200 0.031 0.000 1.036 788 S CB 1.656 64.831 63.200 -0.042 0.000 0.919 788 S HN 0.437 nan 8.310 nan 0.000 0.515 789 K N 1.989 122.247 120.400 -0.237 0.000 2.368 789 K HA 0.171 4.491 4.320 -0.000 0.000 0.282 789 K C 0.172 176.576 176.600 -0.327 0.000 1.035 789 K CA -0.032 55.894 56.287 -0.602 0.000 0.973 789 K CB 0.490 32.529 32.500 -0.769 0.000 0.957 789 K HN 0.547 nan 8.250 nan 0.000 0.474 790 K N 0.957 121.176 120.400 -0.302 0.000 2.102 790 K HA 0.174 4.494 4.320 -0.000 0.000 0.244 790 K C 1.209 177.763 176.600 -0.076 0.000 1.021 790 K CA -0.271 55.928 56.287 -0.146 0.000 0.913 790 K CB 0.769 33.204 32.500 -0.109 0.000 1.062 790 K HN 0.625 nan 8.250 nan 0.000 0.485 791 A N 1.120 123.924 122.820 -0.027 0.000 1.940 791 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 791 A C 2.161 179.756 177.584 0.018 0.000 1.176 791 A CA 2.261 54.324 52.037 0.045 0.000 0.631 791 A CB -0.964 18.067 19.000 0.052 0.000 0.814 791 A HN 0.789 nan 8.150 nan 0.000 0.446 792 A N -1.539 121.258 122.820 -0.037 0.000 1.972 792 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 792 A C 2.075 179.530 177.584 -0.215 0.000 1.169 792 A CA 1.626 53.601 52.037 -0.103 0.000 0.635 792 A CB -0.763 18.142 19.000 -0.159 0.000 0.810 792 A HN 0.778 nan 8.150 nan 0.000 0.446 793 Y N 1.292 121.394 120.300 -0.330 0.000 2.128 793 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 793 Y C 2.590 178.334 175.900 -0.260 0.000 1.154 793 Y CA 2.471 60.339 58.100 -0.387 0.000 1.149 793 Y CB -0.749 37.384 38.460 -0.546 0.000 0.976 793 Y HN 0.298 nan 8.280 nan 0.000 0.505 794 T N 0.809 115.362 114.554 -0.003 0.000 2.788 794 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 794 T C 2.091 176.729 174.700 -0.104 0.000 1.044 794 T CA 1.391 63.479 62.100 -0.020 0.000 1.139 794 T CB -0.768 68.142 68.868 0.070 0.000 0.867 794 T HN 0.517 nan 8.240 nan 0.000 0.454 795 A N 0.896 123.673 122.820 -0.073 0.000 1.902 795 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 795 A C 2.584 180.109 177.584 -0.098 0.000 1.181 795 A CA 1.292 53.304 52.037 -0.042 0.000 0.623 795 A CB -0.933 18.077 19.000 0.016 0.000 0.818 795 A HN 0.360 nan 8.150 nan 0.000 0.443 796 V N -0.405 119.392 119.914 -0.197 0.000 2.307 796 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 796 V C 2.478 178.387 176.094 -0.308 0.000 1.045 796 V CA 1.854 64.022 62.300 -0.220 0.000 1.024 796 V CB -0.750 30.875 31.823 -0.329 0.000 0.651 796 V HN 0.571 nan 8.190 nan 0.000 0.449 797 L N 1.013 121.951 121.223 -0.475 0.000 2.042 797 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 797 L C 2.317 179.063 176.870 -0.205 0.000 1.076 797 L CA 2.263 56.856 54.840 -0.412 0.000 0.749 797 L CB -1.034 40.739 42.059 -0.477 0.000 0.893 797 L HN 0.447 nan 8.230 nan 0.000 0.432 798 N N -0.474 118.137 118.700 -0.149 0.000 2.120 798 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 798 N C 1.776 177.251 175.510 -0.059 0.000 1.024 798 N CA 1.490 54.493 53.050 -0.078 0.000 0.852 798 N CB 0.021 38.479 38.487 -0.047 0.000 1.003 798 N HN 0.491 nan 8.380 nan 0.000 0.424 799 A N 1.734 124.519 122.820 -0.058 0.000 1.877 799 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 799 A C 2.461 180.030 177.584 -0.025 0.000 1.186 799 A CA 0.938 52.959 52.037 -0.027 0.000 0.620 799 A CB -0.808 18.189 19.000 -0.006 0.000 0.822 799 A HN 0.341 nan 8.150 nan 0.000 0.443 800 L N -0.186 121.009 121.223 -0.047 0.000 2.079 800 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 800 L C 1.663 178.514 176.870 -0.031 0.000 1.081 800 L CA 1.117 55.938 54.840 -0.031 0.000 0.752 800 L CB -0.574 41.445 42.059 -0.068 0.000 0.896 800 L HN 0.367 nan 8.230 nan 0.000 0.433 801 N N -0.069 118.602 118.700 -0.048 0.000 2.521 801 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 801 N C 1.349 176.846 175.510 -0.022 0.000 1.146 801 N CA 1.049 54.078 53.050 -0.035 0.000 0.893 801 N CB 0.783 39.245 38.487 -0.042 0.000 0.975 801 N HN 0.495 nan 8.380 nan 0.000 0.451 802 G N -0.753 108.036 108.800 -0.018 0.000 2.218 802 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 802 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 802 G C 0.518 175.412 174.900 -0.010 0.000 0.994 802 G CA 0.174 45.268 45.100 -0.011 0.000 0.637 802 G HN 0.712 nan 8.290 nan 0.000 0.505 814 Q N -0.795 119.061 119.800 0.093 0.000 2.212 814 Q HA 0.743 5.083 4.340 -0.000 0.000 0.238 814 Q C -0.082 175.994 176.000 0.127 0.000 0.955 814 Q CA -0.373 55.517 55.803 0.146 0.000 0.906 814 Q CB 2.001 30.805 28.738 0.110 0.000 1.215 814 Q HN 0.473 nan 8.270 nan 0.000 0.478 815 I N 1.366 122.012 120.570 0.128 0.000 2.464 815 I HA 0.272 4.442 4.170 -0.000 0.000 0.277 815 I C -0.604 175.625 176.117 0.187 0.000 1.040 815 I CA -0.593 60.739 61.300 0.053 0.000 1.153 815 I CB 0.831 38.694 38.000 -0.228 0.000 1.274 815 I HN 0.286 nan 8.210 nan 0.000 0.469 816 K N 4.249 124.767 120.400 0.195 0.000 2.276 816 K HA 0.441 4.761 4.320 -0.000 0.000 0.283 816 K C 0.487 177.215 176.600 0.213 0.000 1.044 816 K CA -0.408 55.992 56.287 0.188 0.000 0.944 816 K CB 1.506 34.061 32.500 0.092 0.000 1.012 816 K HN 0.693 nan 8.250 nan 0.000 0.472 817 G N 2.070 110.919 108.800 0.082 0.000 2.356 817 G HA2 0.262 4.222 3.960 -0.000 0.000 0.312 817 G HA3 0.262 4.222 3.960 -0.000 0.000 0.312 817 G C 0.026 174.720 174.900 -0.343 0.000 1.096 817 G CA -0.589 44.251 45.100 -0.433 0.000 0.950 817 G HN 0.362 nan 8.290 nan 0.000 0.428 818 V N 2.872 122.583 119.914 -0.338 0.000 2.720 818 V HA 0.319 4.439 4.120 -0.000 0.000 0.307 818 V C 1.762 177.720 176.094 -0.226 0.000 1.071 818 V CA 1.951 64.118 62.300 -0.222 0.000 1.199 818 V CB 0.357 32.064 31.823 -0.194 0.000 0.900 818 V HN 1.557 nan 8.190 nan 0.000 0.494 819 G N 3.993 112.703 108.800 -0.150 0.000 2.729 819 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.216 819 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.216 819 G C 1.220 176.052 174.900 -0.114 0.000 1.252 819 G CA 1.011 46.033 45.100 -0.129 0.000 0.751 819 G HN 1.288 nan 8.290 nan 0.000 0.527 820 S N 0.791 116.408 115.700 -0.138 0.000 2.414 820 S HA 0.363 4.833 4.470 -0.000 0.000 0.227 820 S C 2.589 177.149 174.600 -0.067 0.000 1.022 820 S CA 1.806 59.947 58.200 -0.098 0.000 0.958 820 S CB -0.133 63.004 63.200 -0.105 0.000 0.797 820 S HN 2.600 nan 8.310 nan 0.000 0.493 821 G N 1.537 110.296 108.800 -0.069 0.000 2.168 821 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.263 821 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.263 821 G C 0.228 175.128 174.900 -0.001 0.000 0.977 821 G CA 0.499 45.578 45.100 -0.035 0.000 0.659 821 G HN 0.637 nan 8.290 nan 0.000 0.533 822 R N -1.233 119.275 120.500 0.014 0.000 2.608 822 R HA 0.709 5.049 4.340 -0.000 0.000 0.255 822 R C -0.137 176.247 176.300 0.140 0.000 1.086 822 R CA -0.184 55.957 56.100 0.069 0.000 1.125 822 R CB 0.985 31.329 30.300 0.073 0.000 1.193 822 R HN 0.209 nan 8.270 nan 0.000 0.553 823 c N 1.109 119.821 118.600 0.188 0.000 2.493 823 c HA 0.321 4.891 4.570 -0.000 0.000 0.326 823 c C -0.310 173.926 174.090 0.244 0.000 1.200 823 c CA -0.835 55.626 56.329 0.221 0.000 1.739 823 c CB 1.125 43.754 42.510 0.199 0.000 2.300 823 c HN 0.612 nan 8.230 nan 0.000 0.500 824 L N 3.912 125.238 121.223 0.172 0.000 2.584 824 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 824 L C 0.087 177.172 176.870 0.358 0.000 1.195 824 L CA 1.417 56.290 54.840 0.055 0.000 0.920 824 L CB -0.261 41.481 42.059 -0.529 0.000 1.173 824 L HN 0.696 nan 8.230 nan 0.000 0.489 825 D N 3.836 124.416 120.400 0.300 0.000 2.738 825 D HA 0.262 4.902 4.640 -0.000 0.000 0.237 825 D C -1.373 175.064 176.300 0.228 0.000 1.123 825 D CA -0.468 53.704 54.000 0.287 0.000 0.856 825 D CB 2.330 43.281 40.800 0.251 0.000 1.552 825 D HN 0.238 nan 8.370 nan 0.000 0.480 826 V N 4.417 124.429 119.914 0.164 0.000 2.368 826 V HA 0.262 4.382 4.120 -0.000 0.000 0.266 826 V C -2.045 174.095 176.094 0.077 0.000 1.045 826 V CA -1.517 60.867 62.300 0.140 0.000 0.899 826 V CB 0.924 32.816 31.823 0.116 0.000 1.006 826 V HN 0.478 nan 8.190 nan 0.000 0.470 827 P HA -0.064 nan 4.420 nan 0.000 0.261 827 P C 0.613 177.904 177.300 -0.014 0.000 1.165 827 P CA 0.812 63.902 63.100 -0.017 0.000 0.759 827 P CB -0.093 31.613 31.700 0.010 0.000 0.772 828 N N 2.557 121.219 118.700 -0.065 0.000 2.681 828 N HA -0.308 4.431 4.740 -0.000 0.000 0.250 828 N C 0.347 175.857 175.510 0.000 0.000 1.133 828 N CA 0.236 53.264 53.050 -0.037 0.000 0.732 828 N CB -1.293 37.180 38.487 -0.023 0.000 1.107 828 N HN 0.669 nan 8.380 nan 0.000 0.559 829 A N -0.876 121.964 122.820 0.034 0.000 2.832 829 A HA -0.270 4.050 4.320 -0.000 0.000 0.280 829 A C 0.777 178.395 177.584 0.058 0.000 1.464 829 A CA 1.453 53.549 52.037 0.098 0.000 0.804 829 A CB -1.782 17.259 19.000 0.067 0.000 1.020 829 A HN 0.743 nan 8.150 nan 0.000 0.563 830 S N -1.180 114.551 115.700 0.051 0.000 2.579 830 S HA 0.460 4.930 4.470 -0.000 0.000 0.275 830 S C 1.138 175.704 174.600 -0.057 0.000 1.345 830 S CA 0.932 59.125 58.200 -0.011 0.000 1.031 830 S CB 1.146 64.360 63.200 0.022 0.000 0.892 830 S HN 1.250 nan 8.310 nan 0.000 0.529 831 T N 2.694 117.140 114.554 -0.181 0.000 3.145 831 T HA 0.263 4.613 4.350 -0.000 0.000 0.281 831 T C -0.081 174.572 174.700 -0.078 0.000 1.003 831 T CA -0.245 61.692 62.100 -0.272 0.000 0.901 831 T CB -0.269 68.297 68.868 -0.503 0.000 1.112 831 T HN 0.636 nan 8.240 nan 0.000 0.535 832 T N 3.123 117.667 114.554 -0.018 0.000 2.851 832 T HA 0.222 4.572 4.350 -0.000 0.000 0.298 832 T C -0.245 174.496 174.700 0.069 0.000 0.977 832 T CA -0.405 61.703 62.100 0.014 0.000 1.126 832 T CB 0.663 69.541 68.868 0.017 0.000 0.916 832 T HN 0.258 nan 8.240 nan 0.000 0.529 833 D N 2.064 122.504 120.400 0.067 0.000 2.455 833 D HA 0.312 4.952 4.640 -0.000 0.000 0.241 833 D C 1.398 177.813 176.300 0.190 0.000 1.138 833 D CA 1.135 55.222 54.000 0.145 0.000 0.877 833 D CB 0.801 41.660 40.800 0.099 0.000 1.187 833 D HN 0.907 nan 8.370 nan 0.000 0.451 834 G N 1.960 110.903 108.800 0.239 0.000 2.176 834 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.232 834 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.232 834 G C 0.485 175.468 174.900 0.139 0.000 0.986 834 G CA 0.075 45.282 45.100 0.180 0.000 0.643 834 G HN 0.550 nan 8.290 nan 0.000 0.522 835 T N 1.603 116.242 114.554 0.143 0.000 2.752 835 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 835 T C 0.434 175.213 174.700 0.131 0.000 0.923 835 T CA 0.353 62.526 62.100 0.122 0.000 1.112 835 T CB 1.437 70.378 68.868 0.121 0.000 0.884 835 T HN 0.542 nan 8.240 nan 0.000 0.525 836 Q N 3.424 123.288 119.800 0.106 0.000 2.314 836 Q HA 0.366 4.706 4.340 -0.000 0.000 0.258 836 Q C 0.166 176.226 176.000 0.100 0.000 0.954 836 Q CA -0.770 55.092 55.803 0.099 0.000 0.890 836 Q CB 0.649 29.435 28.738 0.080 0.000 1.210 836 Q HN 0.636 nan 8.270 nan 0.000 0.410 837 V N 1.538 121.509 119.914 0.095 0.000 3.083 837 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 837 V C -0.372 175.768 176.094 0.076 0.000 1.077 837 V CA -0.261 62.098 62.300 0.099 0.000 1.073 837 V CB 1.159 33.021 31.823 0.065 0.000 1.081 837 V HN 1.040 nan 8.190 nan 0.000 0.474 838 Q N 1.662 121.521 119.800 0.100 0.000 2.814 838 Q HA 0.684 5.024 4.340 -0.000 0.000 0.322 838 Q C -1.581 174.517 176.000 0.163 0.000 0.888 838 Q CA -1.157 54.716 55.803 0.116 0.000 0.768 838 Q CB 2.055 30.862 28.738 0.115 0.000 1.443 838 Q HN 0.655 nan 8.270 nan 0.000 0.497 839 L N 0.713 122.049 121.223 0.189 0.000 2.334 839 L HA 0.704 5.043 4.340 -0.000 0.000 0.275 839 L C -1.204 175.852 176.870 0.309 0.000 1.036 839 L CA -0.818 54.156 54.840 0.223 0.000 0.807 839 L CB 1.095 43.254 42.059 0.166 0.000 1.231 839 L HN 0.633 nan 8.230 nan 0.000 0.438 840 Y N 0.118 120.487 120.300 0.116 0.000 2.677 840 Y HA 0.182 4.732 4.550 0.000 0.000 0.334 840 Y C -0.922 175.047 175.900 0.114 0.000 1.196 840 Y CA -1.248 56.916 58.100 0.105 0.000 1.059 840 Y CB 1.550 40.088 38.460 0.129 0.000 1.315 840 Y HN 0.537 nan 8.280 nan 0.000 0.455 841 D N 2.529 122.715 120.400 -0.357 0.000 2.451 841 D HA 0.047 4.687 4.640 -0.000 0.000 0.254 841 D C -0.131 176.266 176.300 0.162 0.000 1.204 841 D CA 0.705 54.607 54.000 -0.162 0.000 0.896 841 D CB 0.337 40.930 40.800 -0.345 0.000 1.136 841 D HN 0.453 nan 8.370 nan 0.000 0.499 842 c N 4.776 123.476 118.600 0.166 0.000 2.611 842 c HA 0.177 4.747 4.570 -0.000 0.000 0.416 842 c C 0.661 174.932 174.090 0.302 0.000 1.366 842 c CA -0.036 56.429 56.329 0.227 0.000 1.761 842 c CB -0.942 41.647 42.510 0.130 0.000 2.619 842 c HN 0.741 nan 8.230 nan 0.000 0.606 843 H N -0.498 118.622 119.070 0.084 0.000 3.043 843 H HA 0.200 4.755 4.556 -0.000 0.000 0.317 843 H C -0.904 174.459 175.328 0.059 0.000 1.321 843 H CA -0.501 55.587 56.048 0.067 0.000 1.243 843 H CB 0.590 30.399 29.762 0.078 0.000 1.924 843 H HN 0.466 nan 8.280 nan 0.000 0.527 844 S N 1.056 116.746 115.700 -0.017 0.000 2.752 844 S HA 0.468 4.938 4.470 -0.000 0.000 0.329 844 S C -0.179 174.311 174.600 -0.184 0.000 1.204 844 S CA 0.373 58.526 58.200 -0.079 0.000 1.252 844 S CB -1.802 61.400 63.200 0.003 0.000 1.053 844 S HN 0.954 nan 8.310 nan 0.000 0.533 845 A N 3.808 126.465 122.820 -0.271 0.000 2.577 845 A HA 0.548 4.868 4.320 -0.000 0.000 0.297 845 A C 0.836 178.306 177.584 -0.191 0.000 1.060 845 A CA -0.205 51.686 52.037 -0.244 0.000 0.697 845 A CB 0.413 19.148 19.000 -0.441 0.000 1.281 845 A HN 0.821 nan 8.150 nan 0.000 0.402 846 T N -0.619 113.867 114.554 -0.114 0.000 2.915 846 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 846 T C 1.062 175.579 174.700 -0.304 0.000 1.071 846 T CA 1.556 63.573 62.100 -0.138 0.000 1.132 846 T CB -0.504 68.368 68.868 0.007 0.000 0.878 846 T HN 0.818 nan 8.240 nan 0.000 0.479 847 N N 1.020 119.602 118.700 -0.197 0.000 2.515 847 N HA -0.031 4.709 4.740 -0.000 0.000 0.191 847 N C 1.144 176.433 175.510 -0.367 0.000 1.182 847 N CA 0.242 53.102 53.050 -0.317 0.000 0.879 847 N CB -0.115 38.376 38.487 0.006 0.000 0.984 847 N HN 0.572 nan 8.380 nan 0.000 0.453 848 Q N -0.810 118.777 119.800 -0.355 0.000 2.113 848 Q HA 0.179 4.519 4.340 -0.000 0.000 0.225 848 Q C -0.531 175.327 176.000 -0.236 0.000 0.786 848 Q CA -0.212 55.488 55.803 -0.171 0.000 0.989 848 Q CB 0.829 29.534 28.738 -0.055 0.000 1.174 848 Q HN 0.255 nan 8.270 nan 0.000 0.470 849 Q N 0.296 119.829 119.800 -0.445 0.000 2.406 849 Q HA 0.125 4.465 4.340 -0.000 0.000 0.242 849 Q C -1.276 174.441 176.000 -0.471 0.000 1.036 849 Q CA 0.289 55.906 55.803 -0.311 0.000 0.904 849 Q CB 0.187 28.782 28.738 -0.238 0.000 1.244 849 Q HN 0.123 nan 8.270 nan 0.000 0.478 850 W N 1.272 122.501 121.300 -0.119 0.000 2.520 850 W HA 0.353 5.013 4.660 -0.000 0.000 0.323 850 W C 0.145 176.630 176.519 -0.057 0.000 1.062 850 W CA -0.518 56.757 57.345 -0.116 0.000 1.215 850 W CB 1.495 30.866 29.460 -0.148 0.000 1.340 850 W HN 0.153 nan 8.180 nan 0.000 0.516 851 T N 3.004 117.668 114.554 0.184 0.000 2.791 851 T HA 0.126 4.476 4.350 -0.000 0.000 0.288 851 T C -1.411 173.407 174.700 0.197 0.000 0.999 851 T CA -0.509 61.677 62.100 0.142 0.000 0.952 851 T CB 0.202 69.108 68.868 0.063 0.000 0.938 851 T HN 0.160 nan 8.240 nan 0.000 0.444 852 Y N 4.779 125.115 120.300 0.060 0.000 2.486 852 Y HA 0.345 4.895 4.550 -0.000 0.000 0.348 852 Y C 1.099 177.031 175.900 0.053 0.000 1.000 852 Y CA -0.904 57.228 58.100 0.052 0.000 1.253 852 Y CB -0.105 38.373 38.460 0.030 0.000 1.140 852 Y HN 0.714 nan 8.280 nan 0.000 0.526 853 T N 0.564 114.960 114.554 -0.263 0.000 2.816 853 T HA 0.089 4.439 4.350 -0.000 0.000 0.282 853 T C 0.892 175.369 174.700 -0.372 0.000 0.993 853 T CA -0.270 61.693 62.100 -0.229 0.000 0.994 853 T CB 0.949 69.747 68.868 -0.118 0.000 1.025 853 T HN 0.637 nan 8.240 nan 0.000 0.529 854 D N 0.190 120.478 120.400 -0.186 0.000 2.310 854 D HA 0.049 4.689 4.640 -0.000 0.000 0.212 854 D C 1.943 178.160 176.300 -0.138 0.000 0.965 854 D CA 1.066 54.983 54.000 -0.139 0.000 0.879 854 D CB -0.408 40.360 40.800 -0.053 0.000 0.921 854 D HN 0.700 nan 8.370 nan 0.000 0.510 855 A N -1.036 121.694 122.820 -0.149 0.000 2.238 855 A HA 0.492 4.812 4.320 -0.000 0.000 0.210 855 A C 1.753 179.250 177.584 -0.145 0.000 1.179 855 A CA 0.776 52.749 52.037 -0.107 0.000 0.827 855 A CB -0.125 18.831 19.000 -0.073 0.000 0.856 855 A HN 0.345 nan 8.150 nan 0.000 0.488 856 G N -0.454 108.167 108.800 -0.298 0.000 2.144 856 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 856 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 856 G C -0.225 174.659 174.900 -0.026 0.000 0.988 856 G CA 0.171 45.115 45.100 -0.260 0.000 0.659 856 G HN 0.597 nan 8.290 nan 0.000 0.522 857 E N -0.633 119.529 120.200 -0.064 0.000 2.283 857 E HA 0.694 5.044 4.350 -0.000 0.000 0.267 857 E C 0.092 176.835 176.600 0.239 0.000 1.045 857 E CA -0.669 55.834 56.400 0.171 0.000 0.884 857 E CB 1.448 31.204 29.700 0.094 0.000 1.106 857 E HN 0.189 nan 8.360 nan 0.000 0.408 858 L N 2.632 124.043 121.223 0.313 0.000 2.337 858 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 858 L C -0.132 176.931 176.870 0.323 0.000 1.018 858 L CA -0.348 54.633 54.840 0.236 0.000 0.876 858 L CB 0.548 42.534 42.059 -0.122 0.000 1.236 858 L HN 0.300 nan 8.230 nan 0.000 0.436 859 R N 1.719 122.372 120.500 0.255 0.000 2.500 859 R HA 0.698 5.038 4.340 -0.000 0.000 0.277 859 R C -0.888 175.406 176.300 -0.010 0.000 1.026 859 R CA -0.630 55.563 56.100 0.156 0.000 1.058 859 R CB 2.672 33.018 30.300 0.077 0.000 1.078 859 R HN 0.255 nan 8.270 nan 0.000 0.509 860 V N 2.991 122.766 119.914 -0.231 0.000 2.888 860 V HA 0.214 4.334 4.120 -0.000 0.000 0.309 860 V C -1.100 174.745 176.094 -0.415 0.000 1.114 860 V CA -0.396 61.479 62.300 -0.707 0.000 0.940 860 V CB 1.322 32.251 31.823 -1.490 0.000 1.021 860 V HN 0.916 nan 8.190 nan 0.000 0.426 861 Y N 4.069 124.230 120.300 -0.233 0.000 4.916 861 Y HA -0.229 4.321 4.550 0.000 0.000 0.247 861 Y C 1.686 177.532 175.900 -0.089 0.000 0.962 861 Y CA 1.728 59.741 58.100 -0.146 0.000 1.933 861 Y CB -1.912 36.471 38.460 -0.127 0.000 1.451 861 Y HN 1.788 nan 8.280 nan 0.000 0.539 862 G N -0.722 108.096 108.800 0.030 0.000 2.527 862 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 862 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 862 G C 0.495 175.421 174.900 0.042 0.000 1.177 862 G CA 0.556 45.673 45.100 0.029 0.000 0.695 862 G HN 0.461 nan 8.290 nan 0.000 0.517 863 D N 0.593 121.032 120.400 0.065 0.000 2.599 863 D HA 0.305 4.945 4.640 -0.000 0.000 0.249 863 D C 0.189 176.541 176.300 0.087 0.000 1.313 863 D CA -0.004 54.035 54.000 0.064 0.000 0.815 863 D CB 0.158 40.984 40.800 0.044 0.000 1.077 863 D HN 0.211 nan 8.370 nan 0.000 0.492 864 K N 0.034 120.502 120.400 0.113 0.000 2.207 864 K HA 0.504 4.824 4.320 -0.000 0.000 0.255 864 K C -0.744 175.957 176.600 0.169 0.000 0.941 864 K CA -0.553 55.825 56.287 0.151 0.000 0.825 864 K CB 1.802 34.434 32.500 0.220 0.000 1.119 864 K HN -0.027 nan 8.250 nan 0.000 0.430 865 c N 2.187 120.930 118.600 0.238 0.000 2.507 865 c HA 0.366 4.936 4.570 -0.000 0.000 0.319 865 c C -0.141 174.164 174.090 0.358 0.000 1.208 865 c CA -0.984 55.517 56.329 0.288 0.000 1.619 865 c CB 1.046 43.717 42.510 0.268 0.000 2.230 865 c HN 0.750 nan 8.230 nan 0.000 0.492 866 L N 4.184 125.628 121.223 0.368 0.000 2.513 866 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 866 L C 0.073 177.234 176.870 0.485 0.000 1.187 866 L CA 1.470 56.465 54.840 0.258 0.000 0.895 866 L CB -0.042 41.866 42.059 -0.250 0.000 1.147 866 L HN 0.688 nan 8.230 nan 0.000 0.483 867 D N 3.917 124.566 120.400 0.415 0.000 2.732 867 D HA 0.663 5.303 4.640 -0.000 0.000 0.229 867 D C -1.747 174.744 176.300 0.319 0.000 1.152 867 D CA -0.436 53.797 54.000 0.389 0.000 0.854 867 D CB 2.296 43.297 40.800 0.335 0.000 1.590 867 D HN 0.675 nan 8.370 nan 0.000 0.468 868 A N 1.482 124.435 122.820 0.222 0.000 2.343 868 A HA 0.648 4.968 4.320 -0.000 0.000 0.308 868 A C 0.123 177.745 177.584 0.064 0.000 1.092 868 A CA -0.218 51.909 52.037 0.150 0.000 0.751 868 A CB 1.560 20.640 19.000 0.133 0.000 1.203 868 A HN 0.509 nan 8.150 nan 0.000 0.452 869 A N 1.814 124.663 122.820 0.048 0.000 2.307 869 A HA 0.571 4.891 4.320 -0.000 0.000 0.218 869 A C 0.930 178.522 177.584 0.014 0.000 1.228 869 A CA 0.871 52.914 52.037 0.010 0.000 0.857 869 A CB -0.347 18.649 19.000 -0.006 0.000 0.897 869 A HN 1.771 nan 8.150 nan 0.000 0.495 870 G N -2.416 106.397 108.800 0.023 0.000 2.687 870 G HA2 0.424 4.384 3.960 -0.000 0.000 0.291 870 G HA3 0.424 4.384 3.960 -0.000 0.000 0.291 870 G C 0.151 175.056 174.900 0.009 0.000 1.420 870 G CA 0.528 45.638 45.100 0.016 0.000 0.796 870 G HN 0.411 nan 8.290 nan 0.000 0.485 871 T N -2.887 111.668 114.554 0.001 0.000 3.043 871 T HA 0.472 4.822 4.350 -0.000 0.000 0.272 871 T C 0.954 175.650 174.700 -0.007 0.000 0.990 871 T CA 0.766 62.859 62.100 -0.011 0.000 0.897 871 T CB 0.574 69.427 68.868 -0.024 0.000 1.111 871 T HN 1.008 nan 8.240 nan 0.000 0.529 872 G N 1.110 109.912 108.800 0.005 0.000 2.488 872 G HA2 0.508 4.468 3.960 -0.000 0.000 0.318 872 G HA3 0.508 4.468 3.960 -0.000 0.000 0.318 872 G C -0.454 174.456 174.900 0.016 0.000 1.188 872 G CA -0.864 44.235 45.100 -0.002 0.000 0.944 872 G HN 0.235 nan 8.290 nan 0.000 0.495 873 N N -0.315 118.377 118.700 -0.013 0.000 2.454 873 N HA 0.262 5.002 4.740 -0.000 0.000 0.254 873 N C 1.294 176.888 175.510 0.141 0.000 1.228 873 N CA 1.483 54.555 53.050 0.036 0.000 0.900 873 N CB 1.252 39.659 38.487 -0.134 0.000 1.089 873 N HN 1.102 nan 8.380 nan 0.000 0.449 874 G N 0.775 109.710 108.800 0.226 0.000 2.234 874 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.235 874 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.235 874 G C 0.204 175.173 174.900 0.116 0.000 0.997 874 G CA 0.214 45.411 45.100 0.162 0.000 0.623 874 G HN 0.609 nan 8.290 nan 0.000 0.514 875 T N 2.993 117.612 114.554 0.108 0.000 2.871 875 T HA 0.387 4.737 4.350 -0.000 0.000 0.296 875 T C 0.847 175.609 174.700 0.104 0.000 0.998 875 T CA 0.921 63.075 62.100 0.092 0.000 1.162 875 T CB 0.575 69.494 68.868 0.084 0.000 0.947 875 T HN 0.786 nan 8.240 nan 0.000 0.536 876 K N 2.200 122.654 120.400 0.090 0.000 2.350 876 K HA 0.390 4.710 4.320 -0.000 0.000 0.279 876 K C -0.733 175.930 176.600 0.106 0.000 1.027 876 K CA -0.791 55.550 56.287 0.090 0.000 0.969 876 K CB 0.618 33.164 32.500 0.077 0.000 0.954 876 K HN 0.210 nan 8.250 nan 0.000 0.474 877 V N 4.312 124.283 119.914 0.095 0.000 2.406 877 V HA 0.108 4.228 4.120 -0.000 0.000 0.272 877 V C 0.118 176.262 176.094 0.085 0.000 1.043 877 V CA -0.269 62.087 62.300 0.094 0.000 0.915 877 V CB 0.431 32.251 31.823 -0.004 0.000 0.988 877 V HN 1.014 nan 8.190 nan 0.000 0.466 878 Q N 5.509 125.389 119.800 0.135 0.000 3.093 878 Q HA 0.792 5.132 4.340 -0.000 0.000 0.330 878 Q C -0.799 175.337 176.000 0.226 0.000 0.947 878 Q CA -1.089 54.811 55.803 0.163 0.000 0.801 878 Q CB 2.555 31.390 28.738 0.162 0.000 1.470 878 Q HN 0.645 nan 8.270 nan 0.000 0.498 879 I N -2.334 118.391 120.570 0.259 0.000 2.603 879 I HA 0.801 4.971 4.170 -0.000 0.000 0.300 879 I C -1.511 174.823 176.117 0.361 0.000 1.017 879 I CA -1.097 60.387 61.300 0.307 0.000 1.098 879 I CB 1.906 40.077 38.000 0.285 0.000 1.279 879 I HN 0.747 nan 8.210 nan 0.000 0.437 880 Y N 2.306 122.729 120.300 0.206 0.000 2.624 880 Y HA 0.424 4.974 4.550 -0.000 0.000 0.334 880 Y C -0.561 175.465 175.900 0.211 0.000 1.155 880 Y CA -0.725 57.491 58.100 0.193 0.000 1.046 880 Y CB 2.110 40.700 38.460 0.217 0.000 1.316 880 Y HN 0.776 nan 8.280 nan 0.000 0.457 881 S N 2.123 117.610 115.700 -0.355 0.000 2.563 881 S HA 0.046 4.516 4.470 -0.000 0.000 0.294 881 S C -0.406 174.314 174.600 0.201 0.000 1.279 881 S CA -0.104 58.011 58.200 -0.142 0.000 1.069 881 S CB -0.380 62.623 63.200 -0.328 0.000 0.828 881 S HN 0.624 nan 8.310 nan 0.000 0.497 882 c N 5.435 124.156 118.600 0.201 0.000 2.648 882 c HA 0.224 4.794 4.570 -0.000 0.000 0.419 882 c C 1.424 175.707 174.090 0.322 0.000 1.352 882 c CA -0.445 56.027 56.329 0.238 0.000 1.816 882 c CB -1.002 41.592 42.510 0.139 0.000 2.598 882 c HN 1.087 nan 8.230 nan 0.000 0.598 883 W N 1.162 122.530 121.300 0.113 0.000 1.526 883 W HA 0.368 5.028 4.660 0.000 0.000 0.218 883 W C 0.660 177.223 176.519 0.074 0.000 0.797 883 W CA 0.142 57.542 57.345 0.091 0.000 0.997 883 W CB -0.831 28.702 29.460 0.121 0.000 0.926 883 W HN 0.941 nan 8.180 nan 0.000 0.483 884 G N 1.450 109.998 108.800 -0.420 0.000 2.157 884 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.239 884 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.239 884 G C 0.624 175.044 174.900 -0.800 0.000 0.982 884 G CA -0.091 44.737 45.100 -0.453 0.000 0.650 884 G HN 0.685 nan 8.290 nan 0.000 0.527 885 G N -0.263 107.572 108.800 -1.609 0.000 2.554 885 G HA2 0.412 4.372 3.960 -0.000 0.000 0.238 885 G HA3 0.412 4.372 3.960 -0.000 0.000 0.238 885 G C 0.657 175.202 174.900 -0.592 0.000 1.259 885 G CA 0.416 44.712 45.100 -1.341 0.000 0.843 885 G HN 0.108 nan 8.290 nan 0.000 0.582 886 D N 0.451 120.628 120.400 -0.372 0.000 2.310 886 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 886 D C 1.932 178.033 176.300 -0.332 0.000 0.965 886 D CA 0.804 54.633 54.000 -0.286 0.000 0.879 886 D CB 0.166 40.852 40.800 -0.189 0.000 0.921 886 D HN 0.606 nan 8.370 nan 0.000 0.510 887 N N 0.333 118.863 118.700 -0.283 0.000 2.461 887 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 887 N C 0.761 176.090 175.510 -0.302 0.000 1.134 887 N CA 0.232 53.119 53.050 -0.271 0.000 0.878 887 N CB 0.061 38.492 38.487 -0.093 0.000 0.972 887 N HN 0.264 nan 8.380 nan 0.000 0.456 888 Q N -0.444 119.164 119.800 -0.320 0.000 2.139 888 Q HA 0.225 4.565 4.340 -0.000 0.000 0.219 888 Q C -0.535 175.323 176.000 -0.238 0.000 0.805 888 Q CA -0.235 55.494 55.803 -0.123 0.000 1.024 888 Q CB 0.916 29.619 28.738 -0.059 0.000 1.163 888 Q HN 0.101 nan 8.270 nan 0.000 0.485 889 K N 0.438 120.488 120.400 -0.585 0.000 2.164 889 K HA 0.429 4.749 4.320 -0.000 0.000 0.258 889 K C -1.064 175.074 176.600 -0.770 0.000 0.951 889 K CA -0.085 55.940 56.287 -0.437 0.000 0.844 889 K CB 1.302 33.630 32.500 -0.285 0.000 1.099 889 K HN -0.031 nan 8.250 nan 0.000 0.435 890 W N 0.932 122.270 121.300 0.063 0.000 3.032 890 W HA 0.464 5.124 4.660 -0.000 0.000 0.335 890 W C -0.048 176.553 176.519 0.137 0.000 1.154 890 W CA -0.779 56.606 57.345 0.067 0.000 1.204 890 W CB 1.242 30.720 29.460 0.031 0.000 1.416 890 W HN 0.199 nan 8.180 nan 0.000 0.521 891 R N 2.032 122.679 120.500 0.245 0.000 2.387 891 R HA 0.552 4.892 4.340 -0.000 0.000 0.314 891 R C -0.834 175.483 176.300 0.028 0.000 0.958 891 R CA -0.963 55.223 56.100 0.145 0.000 0.846 891 R CB 1.342 31.688 30.300 0.076 0.000 1.147 891 R HN 0.414 nan 8.270 nan 0.000 0.447 892 L N 4.196 125.357 121.223 -0.103 0.000 2.302 892 L HA 0.259 4.599 4.340 -0.000 0.000 0.285 892 L C 0.071 176.899 176.870 -0.070 0.000 1.090 892 L CA -0.622 54.105 54.840 -0.187 0.000 0.866 892 L CB 0.142 41.947 42.059 -0.425 0.000 1.244 892 L HN 0.470 nan 8.230 nan 0.000 0.435 893 N N 0.791 119.479 118.700 -0.021 0.000 2.399 893 N HA 0.089 4.829 4.740 -0.000 0.000 0.250 893 N C 0.955 176.461 175.510 -0.006 0.000 1.272 893 N CA -0.139 52.911 53.050 0.001 0.000 0.928 893 N CB 1.302 39.801 38.487 0.021 0.000 1.158 893 N HN 0.388 nan 8.380 nan 0.000 0.463 894 S N 0.005 115.704 115.700 -0.003 0.000 2.428 894 S HA -0.122 4.348 4.470 -0.000 0.000 0.230 894 S C 1.078 175.677 174.600 -0.001 0.000 1.014 894 S CA 0.680 58.877 58.200 -0.006 0.000 0.957 894 S CB -0.149 63.046 63.200 -0.008 0.000 0.784 894 S HN 0.690 nan 8.310 nan 0.000 0.499 895 D N 0.838 121.240 120.400 0.004 0.000 2.378 895 D HA 0.067 4.707 4.640 -0.000 0.000 0.227 895 D C 1.250 177.555 176.300 0.008 0.000 1.012 895 D CA 0.838 54.840 54.000 0.003 0.000 0.905 895 D CB -0.480 40.324 40.800 0.006 0.000 0.895 895 D HN 0.440 nan 8.370 nan 0.000 0.532 896 G N 0.523 109.335 108.800 0.020 0.000 2.176 896 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 896 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 896 G C 0.311 175.282 174.900 0.119 0.000 0.979 896 G CA 0.394 45.522 45.100 0.045 0.000 0.641 896 G HN 0.779 nan 8.290 nan 0.000 0.530 897 S N -0.394 115.367 115.700 0.101 0.000 2.616 897 S HA 0.787 5.257 4.470 -0.000 0.000 0.277 897 S C -0.010 174.664 174.600 0.123 0.000 1.234 897 S CA -0.760 57.538 58.200 0.162 0.000 1.028 897 S CB 2.084 65.348 63.200 0.107 0.000 0.988 897 S HN 0.588 nan 8.310 nan 0.000 0.522 898 I N 2.432 123.083 120.570 0.135 0.000 2.411 898 I HA 0.339 4.509 4.170 -0.000 0.000 0.284 898 I C -1.012 175.192 176.117 0.146 0.000 1.012 898 I CA -0.871 60.444 61.300 0.026 0.000 1.119 898 I CB 1.705 39.561 38.000 -0.241 0.000 1.261 898 I HN 0.419 nan 8.210 nan 0.000 0.448 899 V N 4.635 124.655 119.914 0.176 0.000 2.547 899 V HA 0.531 4.651 4.120 -0.000 0.000 0.299 899 V C 0.785 177.006 176.094 0.212 0.000 1.040 899 V CA -0.698 61.713 62.300 0.185 0.000 0.913 899 V CB 1.691 33.562 31.823 0.079 0.000 0.992 899 V HN 0.835 nan 8.190 nan 0.000 0.449 900 G N 2.225 111.084 108.800 0.098 0.000 2.364 900 G HA2 0.385 4.345 3.960 -0.000 0.000 0.267 900 G HA3 0.385 4.345 3.960 -0.000 0.000 0.267 900 G C 0.889 175.611 174.900 -0.298 0.000 1.233 900 G CA -0.280 44.590 45.100 -0.383 0.000 0.885 900 G HN 0.554 nan 8.290 nan 0.000 0.490 901 V N 2.181 121.874 119.914 -0.368 0.000 2.255 901 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 901 V C 2.882 178.854 176.094 -0.203 0.000 1.051 901 V CA 2.489 64.647 62.300 -0.237 0.000 1.018 901 V CB -0.639 31.044 31.823 -0.234 0.000 0.641 901 V HN 0.871 nan 8.190 nan 0.000 0.445 902 Q N 0.099 119.749 119.800 -0.249 0.000 2.079 902 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 902 Q C 2.377 178.301 176.000 -0.126 0.000 0.974 902 Q CA 2.248 57.949 55.803 -0.170 0.000 0.840 902 Q CB -0.086 28.546 28.738 -0.176 0.000 0.898 902 Q HN 0.787 nan 8.270 nan 0.000 0.430 903 S N -1.855 113.759 115.700 -0.143 0.000 2.439 903 S HA 0.152 4.621 4.470 -0.000 0.000 0.224 903 S C 1.500 176.061 174.600 -0.064 0.000 1.029 903 S CA 0.714 58.863 58.200 -0.086 0.000 0.946 903 S CB 0.274 63.435 63.200 -0.066 0.000 0.797 903 S HN 0.670 nan 8.310 nan 0.000 0.504 904 G N 1.039 109.795 108.800 -0.072 0.000 2.162 904 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 904 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 904 G C -0.072 174.821 174.900 -0.013 0.000 0.976 904 G CA 0.531 45.604 45.100 -0.045 0.000 0.655 904 G HN 0.552 nan 8.290 nan 0.000 0.533 905 L N -0.290 120.936 121.223 0.006 0.000 2.344 905 L HA 0.587 4.927 4.340 -0.000 0.000 0.272 905 L C 0.879 177.822 176.870 0.122 0.000 1.035 905 L CA -1.149 53.721 54.840 0.049 0.000 0.807 905 L CB 1.562 43.649 42.059 0.047 0.000 1.237 905 L HN 0.173 nan 8.230 nan 0.000 0.442 906 c N 1.839 120.527 118.600 0.146 0.000 2.398 906 c HA 0.371 4.941 4.570 -0.000 0.000 0.364 906 c C 0.550 174.776 174.090 0.226 0.000 1.219 906 c CA -0.797 55.647 56.329 0.191 0.000 2.312 906 c CB 0.739 43.354 42.510 0.175 0.000 2.428 906 c HN 0.526 nan 8.230 nan 0.000 0.564 907 L N 2.840 124.187 121.223 0.208 0.000 2.500 907 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 907 L C -0.061 177.000 176.870 0.318 0.000 1.149 907 L CA 0.736 55.660 54.840 0.141 0.000 0.897 907 L CB -0.099 41.844 42.059 -0.193 0.000 1.178 907 L HN 0.712 nan 8.230 nan 0.000 0.473 908 D N 2.856 123.404 120.400 0.247 0.000 2.505 908 D HA 0.491 5.131 4.640 -0.000 0.000 0.249 908 D C -0.465 175.927 176.300 0.153 0.000 1.082 908 D CA -0.412 53.710 54.000 0.203 0.000 0.839 908 D CB 1.712 42.607 40.800 0.158 0.000 1.317 908 D HN 0.534 nan 8.370 nan 0.000 0.497 909 A N 3.417 126.302 122.820 0.109 0.000 2.350 909 A HA 0.391 4.711 4.320 -0.000 0.000 0.293 909 A C 0.166 177.744 177.584 -0.010 0.000 1.231 909 A CA -0.608 51.470 52.037 0.068 0.000 0.883 909 A CB -0.007 19.000 19.000 0.011 0.000 1.133 909 A HN 0.537 nan 8.150 nan 0.000 0.533 910 V N 2.851 122.763 119.914 -0.003 0.000 2.780 910 V HA 0.090 4.210 4.120 -0.000 0.000 0.301 910 V C 1.794 177.849 176.094 -0.065 0.000 1.168 910 V CA 1.785 64.058 62.300 -0.045 0.000 1.305 910 V CB -0.530 31.287 31.823 -0.009 0.000 0.858 910 V HN 1.910 nan 8.190 nan 0.000 0.502 911 G N 3.699 112.434 108.800 -0.109 0.000 2.244 911 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.274 911 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.274 911 G C 1.175 176.025 174.900 -0.084 0.000 1.002 911 G CA 0.822 45.865 45.100 -0.095 0.000 0.740 911 G HN 2.577 nan 8.290 nan 0.000 0.516 912 G N -1.514 107.229 108.800 -0.095 0.000 2.203 912 G HA2 0.144 4.104 3.960 -0.000 0.000 0.263 912 G HA3 0.144 4.104 3.960 -0.000 0.000 0.263 912 G C 1.327 176.186 174.900 -0.070 0.000 1.012 912 G CA 0.931 45.979 45.100 -0.088 0.000 0.749 912 G HN 2.097 nan 8.290 nan 0.000 0.512 913 G N -1.168 107.602 108.800 -0.050 0.000 2.630 913 G HA2 0.501 4.461 3.960 -0.000 0.000 0.236 913 G HA3 0.501 4.461 3.960 -0.000 0.000 0.236 913 G C 1.064 175.941 174.900 -0.038 0.000 1.248 913 G CA 1.083 46.163 45.100 -0.033 0.000 0.844 913 G HN 1.410 nan 8.290 nan 0.000 0.588 914 T N -2.566 111.969 114.554 -0.032 0.000 3.041 914 T HA 0.580 4.930 4.350 -0.000 0.000 0.276 914 T C 0.895 175.582 174.700 -0.022 0.000 0.948 914 T CA 0.701 62.778 62.100 -0.039 0.000 0.885 914 T CB 0.212 69.047 68.868 -0.055 0.000 1.175 914 T HN 0.947 nan 8.240 nan 0.000 0.529 915 A N 1.997 124.810 122.820 -0.011 0.000 2.257 915 A HA 0.636 4.956 4.320 -0.000 0.000 0.289 915 A C 0.156 177.755 177.584 0.024 0.000 1.095 915 A CA -0.780 51.252 52.037 -0.008 0.000 0.836 915 A CB 0.197 19.193 19.000 -0.006 0.000 1.111 915 A HN 0.396 nan 8.150 nan 0.000 0.497 916 N N -0.224 118.485 118.700 0.015 0.000 2.454 916 N HA 0.317 5.057 4.740 -0.000 0.000 0.254 916 N C 1.047 176.657 175.510 0.167 0.000 1.228 916 N CA 1.618 54.737 53.050 0.114 0.000 0.900 916 N CB 1.000 39.508 38.487 0.035 0.000 1.089 916 N HN 1.263 nan 8.380 nan 0.000 0.449 917 G N 0.886 109.819 108.800 0.223 0.000 2.234 917 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 917 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 917 G C 0.136 175.098 174.900 0.103 0.000 0.997 917 G CA 0.067 45.254 45.100 0.144 0.000 0.623 917 G HN 0.584 nan 8.290 nan 0.000 0.514 918 T N 3.076 117.689 114.554 0.099 0.000 2.793 918 T HA 0.429 4.779 4.350 -0.000 0.000 0.289 918 T C 1.069 175.820 174.700 0.085 0.000 0.956 918 T CA 0.230 62.374 62.100 0.073 0.000 1.177 918 T CB 0.535 69.439 68.868 0.059 0.000 0.897 918 T HN 0.386 nan 8.240 nan 0.000 0.533 919 L N 3.758 125.022 121.223 0.068 0.000 2.453 919 L HA 0.386 4.726 4.340 -0.000 0.000 0.261 919 L C 0.430 177.343 176.870 0.072 0.000 1.179 919 L CA -0.857 54.024 54.840 0.068 0.000 0.813 919 L CB 0.300 42.393 42.059 0.057 0.000 1.110 919 L HN 0.388 nan 8.230 nan 0.000 0.466 920 I N 1.345 121.954 120.570 0.065 0.000 2.412 920 I HA 0.364 4.534 4.170 -0.000 0.000 0.296 920 I C -0.026 176.126 176.117 0.058 0.000 0.987 920 I CA -0.244 61.092 61.300 0.060 0.000 1.180 920 I CB 1.473 39.465 38.000 -0.012 0.000 1.340 920 I HN 0.742 nan 8.210 nan 0.000 0.455 921 Q N 5.504 125.354 119.800 0.083 0.000 2.687 921 Q HA 0.707 5.047 4.340 -0.000 0.000 0.305 921 Q C -1.836 174.257 176.000 0.155 0.000 1.006 921 Q CA -1.005 54.863 55.803 0.109 0.000 0.763 921 Q CB 2.387 31.190 28.738 0.108 0.000 1.506 921 Q HN 0.438 nan 8.270 nan 0.000 0.459 922 L N 1.164 122.497 121.223 0.183 0.000 2.325 922 L HA 0.647 4.987 4.340 -0.000 0.000 0.279 922 L C -1.280 175.756 176.870 0.276 0.000 1.054 922 L CA -0.801 54.164 54.840 0.208 0.000 0.804 922 L CB 0.972 43.130 42.059 0.165 0.000 1.200 922 L HN 0.648 nan 8.230 nan 0.000 0.436 923 Y N 0.272 120.619 120.300 0.079 0.000 2.565 923 Y HA 0.174 4.724 4.550 -0.000 0.000 0.330 923 Y C -0.099 175.833 175.900 0.053 0.000 1.150 923 Y CA -0.832 57.302 58.100 0.058 0.000 1.055 923 Y CB 1.870 40.363 38.460 0.055 0.000 1.337 923 Y HN 0.526 nan 8.280 nan 0.000 0.457 924 S N 2.556 118.071 115.700 -0.309 0.000 2.626 924 S HA -0.002 4.468 4.470 -0.000 0.000 0.303 924 S C -0.247 174.380 174.600 0.045 0.000 1.256 924 S CA -0.022 58.092 58.200 -0.144 0.000 1.069 924 S CB -0.498 62.556 63.200 -0.244 0.000 0.807 924 S HN 0.615 nan 8.310 nan 0.000 0.500 925 c N 3.784 122.414 118.600 0.050 0.000 2.611 925 c HA 0.247 4.817 4.570 -0.000 0.000 0.416 925 c C 1.795 175.925 174.090 0.067 0.000 1.366 925 c CA -0.107 56.269 56.329 0.078 0.000 1.761 925 c CB -0.490 42.054 42.510 0.057 0.000 2.619 925 c HN 1.022 nan 8.230 nan 0.000 0.606 926 S N 0.617 116.362 115.700 0.075 0.000 2.893 926 S HA 0.127 4.597 4.470 -0.000 0.000 0.258 926 S C 0.440 175.057 174.600 0.029 0.000 1.034 926 S CA 0.223 58.456 58.200 0.056 0.000 1.167 926 S CB -0.835 62.413 63.200 0.080 0.000 1.137 926 S HN 0.976 nan 8.310 nan 0.000 0.650 927 N N 0.674 119.390 118.700 0.025 0.000 2.708 927 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 927 N C 0.509 176.008 175.510 -0.019 0.000 1.123 927 N CA 0.201 53.253 53.050 0.004 0.000 0.739 927 N CB -1.350 37.138 38.487 0.001 0.000 1.113 927 N HN 0.724 nan 8.380 nan 0.000 0.561 928 G N -0.681 108.107 108.800 -0.020 0.000 2.616 928 G HA2 0.301 4.260 3.960 -0.000 0.000 0.268 928 G HA3 0.301 4.260 3.960 -0.000 0.000 0.268 928 G C 0.992 175.830 174.900 -0.103 0.000 1.213 928 G CA 0.194 45.264 45.100 -0.049 0.000 0.926 928 G HN 0.419 nan 8.290 nan 0.000 0.523 929 S N -0.131 115.495 115.700 -0.124 0.000 2.402 929 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 929 S C 1.741 176.168 174.600 -0.287 0.000 1.021 929 S CA 1.241 59.331 58.200 -0.182 0.000 0.974 929 S CB -0.281 62.831 63.200 -0.146 0.000 0.800 929 S HN 0.728 nan 8.310 nan 0.000 0.484 930 N N 1.072 119.627 118.700 -0.241 0.000 2.461 930 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 930 N C 0.915 176.224 175.510 -0.335 0.000 1.134 930 N CA 0.277 53.148 53.050 -0.299 0.000 0.878 930 N CB -0.268 38.118 38.487 -0.168 0.000 0.972 930 N HN 0.610 nan 8.380 nan 0.000 0.456 931 Q N -0.523 119.101 119.800 -0.293 0.000 2.149 931 Q HA 0.235 4.575 4.340 -0.000 0.000 0.221 931 Q C -0.325 175.534 176.000 -0.235 0.000 0.807 931 Q CA -0.296 55.443 55.803 -0.106 0.000 1.000 931 Q CB 1.385 30.154 28.738 0.051 0.000 1.157 931 Q HN 0.212 nan 8.270 nan 0.000 0.487 932 R N 0.212 120.377 120.500 -0.559 0.000 2.460 932 R HA 0.408 4.748 4.340 -0.000 0.000 0.303 932 R C -1.761 174.099 176.300 -0.734 0.000 0.968 932 R CA -0.248 55.607 56.100 -0.408 0.000 0.889 932 R CB 0.795 30.950 30.300 -0.242 0.000 1.123 932 R HN -0.084 nan 8.270 nan 0.000 0.455 933 W N 1.012 122.268 121.300 -0.074 0.000 3.033 933 W HA 0.405 5.065 4.660 -0.000 0.000 0.336 933 W C -0.409 176.064 176.519 -0.076 0.000 1.173 933 W CA -0.768 56.526 57.345 -0.086 0.000 1.185 933 W CB 1.979 31.363 29.460 -0.127 0.000 1.425 933 W HN 0.336 nan 8.180 nan 0.000 0.536 934 T N 2.084 116.731 114.554 0.156 0.000 2.876 934 T HA 0.795 5.145 4.350 -0.000 0.000 0.289 934 T C -1.177 173.564 174.700 0.068 0.000 1.014 934 T CA -0.900 61.245 62.100 0.075 0.000 0.986 934 T CB 0.759 69.648 68.868 0.034 0.000 1.021 934 T HN 0.578 nan 8.240 nan 0.000 0.458 935 R N 2.581 123.103 120.500 0.037 0.000 2.585 935 R HA 0.569 4.909 4.340 -0.000 0.000 0.288 935 R C -0.719 175.595 176.300 0.022 0.000 1.194 935 R CA -0.854 55.264 56.100 0.030 0.000 1.006 935 R CB 0.260 30.568 30.300 0.014 0.000 1.229 935 R HN 0.777 nan 8.270 nan 0.000 0.412 936 T N 0.000 114.569 114.554 0.026 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.119 62.100 0.032 0.000 1.349 936 T CB 0.000 68.888 68.868 0.033 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658