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 2h6h_1_B DATA FIRST_RESID 515 DATA SEQUENCE SSPVWSEPLY SLRPEHARER LQDDSVETVT SIEQAKVEEK IQEVFSSYKF DATA SEQUENCE NHLVPRLVLQ REKHFHYLKR GLRQLTDAYE CLDASRPWLC YWILHSLELL DATA SEQUENCE DEPIPQIVAT DVCQFLELCQ SPEGGFGGGP GQYPHLAPTY AAVNALCIIG DATA SEQUENCE TEEAYDIINR EKLLQYLYSL KQPDGSFLMH VGGEVDVRSA YCAASVASLT DATA SEQUENCE NIITPDLFEG TAEWIARCQN WEGGIGGVPG MEAHGGYTFC GLAALVILKR DATA SEQUENCE ERSLNLKSLL QWVTSRQMRF EGGFQGRCNK LVDGCYSFWQ AGLLPLLHRA DATA SEQUENCE LHAQGDPALS MSHWMFHQQA LQEYILMCCQ CPAGGLLDKP GKSRDFYHTC DATA SEQUENCE FCLSGLSIAQ HFGSGAMLHD VVLGVPENAL QPTHPVYNIG PDKVIQATTY DATA SEQUENCE FLQKPVPGFE 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 515 S HA 0.000 nan 4.470 nan 0.000 0.327 515 S C 0.000 174.552 174.600 -0.080 0.000 1.055 515 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 515 S CB 0.000 63.167 63.200 -0.054 0.000 0.593 516 S N 2.927 118.554 115.700 -0.122 0.000 2.565 516 S HA 0.783 5.253 4.470 0.000 0.000 0.290 516 S C -2.622 171.786 174.600 -0.319 0.000 1.150 516 S CA -0.768 57.305 58.200 -0.212 0.000 1.058 516 S CB 0.807 63.879 63.200 -0.212 0.000 1.032 516 S HN 0.542 nan 8.310 nan 0.000 0.510 517 P HA 0.049 nan 4.420 nan 0.000 0.270 517 P C 1.101 177.985 177.300 -0.693 0.000 1.223 517 P CA -0.517 62.132 63.100 -0.752 0.000 0.785 517 P CB 0.341 31.132 31.700 -1.515 0.000 0.923 518 V N -0.687 118.950 119.914 -0.461 0.000 2.867 518 V HA -0.128 3.992 4.120 0.000 0.000 0.260 518 V C 1.141 177.154 176.094 -0.134 0.000 1.099 518 V CA 1.071 63.239 62.300 -0.219 0.000 1.122 518 V CB -1.410 30.376 31.823 -0.061 0.000 0.708 518 V HN 0.701 nan 8.190 nan 0.000 0.490 519 W N 0.031 121.322 121.300 -0.014 0.000 3.290 519 W HA 0.589 5.250 4.660 0.000 0.000 0.287 519 W C 0.466 176.974 176.519 -0.019 0.000 1.288 519 W CA 0.104 57.440 57.345 -0.015 0.000 1.725 519 W CB -0.539 28.911 29.460 -0.017 0.000 1.103 519 W HN 0.339 nan 8.180 nan 0.000 0.670 520 S N 1.142 116.772 115.700 -0.117 0.000 2.571 520 S HA 0.335 4.805 4.470 0.000 0.000 0.284 520 S C -1.353 173.169 174.600 -0.131 0.000 1.128 520 S CA -0.319 57.842 58.200 -0.064 0.000 0.970 520 S CB 2.024 65.111 63.200 -0.189 0.000 1.039 520 S HN 0.213 nan 8.310 nan 0.000 0.485 521 E N 4.695 124.861 120.200 -0.056 0.000 2.279 521 E HA 0.460 4.810 4.350 0.000 0.000 0.252 521 E C -2.723 173.844 176.600 -0.055 0.000 0.894 521 E CA -2.249 54.112 56.400 -0.064 0.000 0.785 521 E CB 1.160 30.838 29.700 -0.036 0.000 1.237 521 E HN 0.300 nan 8.360 nan 0.000 0.418 522 P HA 0.009 nan 4.420 nan 0.000 0.266 522 P C -0.951 176.320 177.300 -0.048 0.000 1.195 522 P CA 0.368 63.433 63.100 -0.058 0.000 0.768 522 P CB 0.481 32.153 31.700 -0.046 0.000 0.838 523 L N 2.530 123.710 121.223 -0.071 0.000 2.346 523 L HA 0.338 4.678 4.340 0.000 0.000 0.274 523 L C 1.285 178.083 176.870 -0.120 0.000 1.007 523 L CA -0.817 53.962 54.840 -0.101 0.000 0.818 523 L CB 1.298 43.253 42.059 -0.173 0.000 1.284 523 L HN 0.385 nan 8.230 nan 0.000 0.424 524 Y N 1.657 121.815 120.300 -0.236 0.000 2.165 524 Y HA -0.254 4.296 4.550 0.000 0.000 0.286 524 Y C 2.263 177.861 175.900 -0.505 0.000 1.155 524 Y CA 2.093 60.036 58.100 -0.262 0.000 1.164 524 Y CB 0.213 38.535 38.460 -0.230 0.000 0.978 524 Y HN 0.641 nan 8.280 nan 0.000 0.513 525 S N 0.111 115.363 115.700 -0.746 0.000 2.507 525 S HA -0.034 4.436 4.470 0.000 0.000 0.235 525 S C 1.536 175.494 174.600 -1.070 0.000 0.988 525 S CA 1.073 58.370 58.200 -1.506 0.000 0.944 525 S CB -0.259 61.807 63.200 -1.890 0.000 0.762 525 S HN 0.459 nan 8.310 nan 0.000 0.526 526 L N 0.422 121.298 121.223 -0.580 0.000 2.693 526 L HA 0.236 4.576 4.340 0.000 0.000 0.235 526 L C 0.592 177.359 176.870 -0.171 0.000 1.127 526 L CA -0.122 54.543 54.840 -0.292 0.000 0.914 526 L CB 0.091 42.038 42.059 -0.187 0.000 1.193 526 L HN 0.045 nan 8.230 nan 0.000 0.502 527 R N 1.528 121.901 120.500 -0.212 0.000 2.643 527 R HA 0.031 4.371 4.340 0.000 0.000 0.270 527 R C -1.146 175.129 176.300 -0.043 0.000 1.061 527 R CA -1.108 54.925 56.100 -0.111 0.000 1.107 527 R CB 0.284 30.497 30.300 -0.145 0.000 0.999 527 R HN -0.113 nan 8.270 nan 0.000 0.460 528 P HA -0.228 nan 4.420 nan 0.000 0.216 528 P C 0.605 177.917 177.300 0.019 0.000 1.150 528 P CA 1.459 64.567 63.100 0.013 0.000 0.837 528 P CB 0.117 31.824 31.700 0.012 0.000 0.786 529 E N -0.509 119.690 120.200 -0.001 0.000 2.418 529 E HA -0.214 4.137 4.350 0.000 0.000 0.197 529 E C 1.887 178.480 176.600 -0.012 0.000 1.026 529 E CA 0.629 57.024 56.400 -0.008 0.000 0.862 529 E CB -1.356 28.332 29.700 -0.019 0.000 0.799 529 E HN 0.442 nan 8.360 nan 0.000 0.518 530 H N 1.031 120.028 119.070 -0.121 0.000 2.489 530 H HA 0.075 4.632 4.556 0.000 0.000 0.293 530 H C 1.741 177.113 175.328 0.073 0.000 1.066 530 H CA 1.283 57.248 56.048 -0.138 0.000 1.305 530 H CB 0.272 29.863 29.762 -0.285 0.000 1.386 530 H HN 0.306 nan 8.280 nan 0.000 0.551 531 A N 1.146 124.038 122.820 0.120 0.000 2.070 531 A HA -0.141 4.179 4.320 0.000 0.000 0.220 531 A C 2.410 180.003 177.584 0.016 0.000 1.159 531 A CA 0.898 53.010 52.037 0.126 0.000 0.656 531 A CB -0.395 18.660 19.000 0.093 0.000 0.800 531 A HN 0.418 nan 8.150 nan 0.000 0.453 532 R N -0.150 120.339 120.500 -0.018 0.000 2.280 532 R HA -0.015 4.326 4.340 0.000 0.000 0.207 532 R C 0.692 176.957 176.300 -0.059 0.000 1.043 532 R CA 0.810 56.887 56.100 -0.038 0.000 1.006 532 R CB 0.017 30.298 30.300 -0.031 0.000 0.885 532 R HN 0.384 nan 8.270 nan 0.000 0.467 533 E N 0.586 120.738 120.200 -0.080 0.000 2.489 533 E HA 0.034 4.384 4.350 0.000 0.000 0.193 533 E C 0.194 176.769 176.600 -0.041 0.000 1.057 533 E CA 0.176 56.535 56.400 -0.069 0.000 0.866 533 E CB 0.141 29.730 29.700 -0.185 0.000 0.916 533 E HN 0.100 nan 8.360 nan 0.000 0.500 534 R N 0.898 121.312 120.500 -0.143 0.000 2.694 534 R HA 0.071 4.412 4.340 0.000 0.000 0.268 534 R C 0.534 176.719 176.300 -0.190 0.000 1.061 534 R CA -0.628 55.272 56.100 -0.335 0.000 1.133 534 R CB 0.170 30.251 30.300 -0.364 0.000 1.020 534 R HN 0.070 nan 8.270 nan 0.000 0.475 535 L N 2.116 123.220 121.223 -0.197 0.000 2.559 535 L HA -0.085 4.255 4.340 0.000 0.000 0.282 535 L C -0.096 176.719 176.870 -0.093 0.000 1.232 535 L CA 1.173 55.943 54.840 -0.117 0.000 0.885 535 L CB 0.241 42.235 42.059 -0.108 0.000 1.131 535 L HN 0.417 nan 8.230 nan 0.000 0.498 536 Q N 3.232 122.994 119.800 -0.063 0.000 2.425 536 Q HA 0.177 4.517 4.340 0.000 0.000 0.254 536 Q C -0.224 175.753 176.000 -0.038 0.000 1.032 536 Q CA -0.341 55.433 55.803 -0.049 0.000 0.798 536 Q CB 0.967 29.683 28.738 -0.038 0.000 1.210 536 Q HN 0.749 nan 8.270 nan 0.000 0.491 537 D N 1.386 121.763 120.400 -0.038 0.000 2.328 537 D HA -0.084 4.556 4.640 0.000 0.000 0.226 537 D C -0.335 175.953 176.300 -0.021 0.000 1.066 537 D CA -0.029 53.954 54.000 -0.029 0.000 0.861 537 D CB 0.262 41.044 40.800 -0.030 0.000 0.912 537 D HN 0.418 nan 8.370 nan 0.000 0.521 538 D N -0.193 120.195 120.400 -0.021 0.000 2.955 538 D HA -0.238 4.402 4.640 0.000 0.000 0.226 538 D C -0.188 176.104 176.300 -0.014 0.000 1.178 538 D CA 1.161 55.151 54.000 -0.015 0.000 0.808 538 D CB -1.754 39.039 40.800 -0.011 0.000 1.099 538 D HN 0.280 nan 8.370 nan 0.000 0.421 539 S N -2.646 113.043 115.700 -0.017 0.000 3.561 539 S HA -0.216 4.254 4.470 0.000 0.000 0.318 539 S C 0.145 174.738 174.600 -0.012 0.000 1.181 539 S CA 0.867 59.058 58.200 -0.015 0.000 0.916 539 S CB -0.831 62.361 63.200 -0.013 0.000 0.966 539 S HN 0.369 nan 8.310 nan 0.000 0.550 540 V N 1.854 121.761 119.914 -0.012 0.000 2.357 540 V HA 0.284 4.404 4.120 0.000 0.000 0.281 540 V C 0.217 176.305 176.094 -0.009 0.000 1.015 540 V CA -0.576 61.719 62.300 -0.009 0.000 0.827 540 V CB 1.491 33.311 31.823 -0.006 0.000 1.018 540 V HN 0.350 nan 8.190 nan 0.000 0.432 541 E N 3.066 123.261 120.200 -0.009 0.000 2.283 541 E HA 0.618 4.968 4.350 0.000 0.000 0.278 541 E C 0.075 176.672 176.600 -0.005 0.000 1.027 541 E CA -0.307 56.087 56.400 -0.009 0.000 0.843 541 E CB 1.817 31.510 29.700 -0.011 0.000 1.062 541 E HN 0.777 nan 8.360 nan 0.000 0.401 542 T N -2.156 112.396 114.554 -0.004 0.000 2.865 542 T HA 0.200 4.550 4.350 0.000 0.000 0.294 542 T C 0.971 175.672 174.700 0.001 0.000 1.119 542 T CA -0.833 61.268 62.100 0.001 0.000 1.007 542 T CB 0.985 69.855 68.868 0.005 0.000 1.225 542 T HN 0.106 nan 8.240 nan 0.000 0.515 543 V N 1.167 121.084 119.914 0.005 0.000 2.324 543 V HA -0.209 3.911 4.120 0.000 0.000 0.250 543 V C 2.912 179.009 176.094 0.006 0.000 1.060 543 V CA 2.794 65.097 62.300 0.006 0.000 1.042 543 V CB -1.432 30.398 31.823 0.012 0.000 0.650 543 V HN 1.107 nan 8.190 nan 0.000 0.450 544 T N 0.400 114.958 114.554 0.008 0.000 2.652 544 T HA -0.200 4.150 4.350 0.000 0.000 0.267 544 T C 2.114 176.812 174.700 -0.003 0.000 1.039 544 T CA 2.089 64.193 62.100 0.006 0.000 1.153 544 T CB -0.391 68.483 68.868 0.011 0.000 0.863 544 T HN 0.759 nan 8.240 nan 0.000 0.428 545 S N 1.285 116.980 115.700 -0.007 0.000 2.383 545 S HA 0.011 4.481 4.470 0.000 0.000 0.227 545 S C 2.124 176.711 174.600 -0.022 0.000 1.026 545 S CA 0.651 58.841 58.200 -0.017 0.000 0.981 545 S CB -0.769 62.420 63.200 -0.019 0.000 0.818 545 S HN 0.487 nan 8.310 nan 0.000 0.472 546 I N 1.748 122.308 120.570 -0.015 0.000 2.226 546 I HA -0.134 4.037 4.170 0.000 0.000 0.245 546 I C 2.854 178.961 176.117 -0.016 0.000 1.100 546 I CA 1.448 62.738 61.300 -0.017 0.000 1.374 546 I CB -0.358 37.636 38.000 -0.010 0.000 1.057 546 I HN 0.282 nan 8.210 nan 0.000 0.413 547 E N 0.314 120.509 120.200 -0.009 0.000 2.106 547 E HA -0.255 4.095 4.350 0.000 0.000 0.192 547 E C 2.014 178.608 176.600 -0.010 0.000 0.984 547 E CA 1.068 57.465 56.400 -0.005 0.000 0.806 547 E CB -0.304 29.398 29.700 0.004 0.000 0.750 547 E HN 0.407 nan 8.360 nan 0.000 0.458 548 Q N 1.010 120.800 119.800 -0.016 0.000 2.084 548 Q HA -0.047 4.293 4.340 0.000 0.000 0.202 548 Q C 1.957 177.932 176.000 -0.042 0.000 0.978 548 Q CA 1.977 57.766 55.803 -0.023 0.000 0.844 548 Q CB -0.466 28.255 28.738 -0.028 0.000 0.898 548 Q HN 0.191 nan 8.270 nan 0.000 0.426 549 A N 0.410 123.199 122.820 -0.052 0.000 1.933 549 A HA -0.204 4.116 4.320 0.000 0.000 0.218 549 A C 1.988 179.533 177.584 -0.065 0.000 1.175 549 A CA 1.737 53.729 52.037 -0.075 0.000 0.628 549 A CB -0.444 18.516 19.000 -0.067 0.000 0.814 549 A HN 0.426 nan 8.150 nan 0.000 0.444 550 K N -0.524 119.853 120.400 -0.039 0.000 2.057 550 K HA -0.058 4.262 4.320 0.000 0.000 0.207 550 K C 1.826 178.414 176.600 -0.021 0.000 1.049 550 K CA 1.388 57.659 56.287 -0.028 0.000 0.931 550 K CB -0.325 32.165 32.500 -0.016 0.000 0.714 550 K HN 0.294 nan 8.250 nan 0.000 0.440 551 V N 1.772 121.679 119.914 -0.012 0.000 2.358 551 V HA -0.219 3.901 4.120 0.000 0.000 0.246 551 V C 1.959 178.062 176.094 0.015 0.000 1.047 551 V CA 1.725 64.031 62.300 0.009 0.000 1.035 551 V CB -0.376 31.462 31.823 0.025 0.000 0.658 551 V HN 0.320 nan 8.190 nan 0.000 0.452 552 E N -0.222 119.968 120.200 -0.018 0.000 2.110 552 E HA -0.284 4.066 4.350 0.000 0.000 0.193 552 E C 2.211 178.771 176.600 -0.066 0.000 0.988 552 E CA 1.380 57.746 56.400 -0.055 0.000 0.804 552 E CB -0.084 29.431 29.700 -0.310 0.000 0.745 552 E HN 0.563 nan 8.360 nan 0.000 0.458 553 E N 1.488 121.642 120.200 -0.076 0.000 2.051 553 E HA -0.226 4.124 4.350 0.000 0.000 0.192 553 E C 1.866 178.459 176.600 -0.011 0.000 0.991 553 E CA 1.472 57.842 56.400 -0.051 0.000 0.799 553 E CB -0.012 29.659 29.700 -0.048 0.000 0.748 553 E HN -0.063 nan 8.360 nan 0.000 0.449 554 K N 0.200 120.594 120.400 -0.011 0.000 2.057 554 K HA -0.035 4.285 4.320 0.000 0.000 0.206 554 K C 1.917 178.497 176.600 -0.033 0.000 1.050 554 K CA 1.297 57.576 56.287 -0.013 0.000 0.935 554 K CB -0.448 32.045 32.500 -0.011 0.000 0.715 554 K HN 0.163 nan 8.250 nan 0.000 0.439 555 I N 1.190 121.736 120.570 -0.040 0.000 2.286 555 I HA -0.203 3.967 4.170 0.000 0.000 0.248 555 I C 2.268 178.202 176.117 -0.305 0.000 1.115 555 I CA 1.319 62.489 61.300 -0.216 0.000 1.392 555 I CB -1.219 36.681 38.000 -0.167 0.000 1.065 555 I HN 0.370 nan 8.210 nan 0.000 0.418 556 Q N 1.483 121.327 119.800 0.073 0.000 2.124 556 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 556 Q C 2.031 178.107 176.000 0.127 0.000 0.977 556 Q CA 1.729 57.677 55.803 0.242 0.000 0.850 556 Q CB -0.159 28.761 28.738 0.303 0.000 0.901 556 Q HN 0.510 nan 8.270 nan 0.000 0.429 557 E N -0.975 119.255 120.200 0.051 0.000 2.077 557 E HA -0.153 4.197 4.350 0.000 0.000 0.193 557 E C 1.972 178.599 176.600 0.045 0.000 0.989 557 E CA 1.428 57.850 56.400 0.037 0.000 0.800 557 E CB -0.010 29.696 29.700 0.011 0.000 0.746 557 E HN 0.207 nan 8.360 nan 0.000 0.452 558 V N 0.964 120.888 119.914 0.017 0.000 2.261 558 V HA -0.251 3.869 4.120 0.000 0.000 0.246 558 V C 2.023 178.290 176.094 0.289 0.000 1.047 558 V CA 1.727 64.081 62.300 0.089 0.000 1.015 558 V CB -0.642 31.183 31.823 0.003 0.000 0.642 558 V HN 0.284 nan 8.190 nan 0.000 0.446 559 F N 0.495 120.524 119.950 0.132 0.000 2.091 559 F HA -0.250 4.277 4.527 0.000 0.000 0.299 559 F C 2.761 178.616 175.800 0.092 0.000 1.103 559 F CA 1.429 59.482 58.000 0.089 0.000 1.228 559 F CB -0.404 38.589 39.000 -0.013 0.000 0.984 559 F HN 0.121 nan 8.300 nan 0.000 0.477 560 S N -0.201 115.646 115.700 0.246 0.000 2.419 560 S HA -0.189 4.282 4.470 0.000 0.000 0.235 560 S C 2.001 176.559 174.600 -0.069 0.000 1.019 560 S CA 1.342 59.584 58.200 0.070 0.000 0.982 560 S CB -0.479 62.750 63.200 0.050 0.000 0.789 560 S HN 0.473 nan 8.310 nan 0.000 0.490 561 S N -0.061 115.614 115.700 -0.043 0.000 2.515 561 S HA -0.001 4.470 4.470 0.000 0.000 0.231 561 S C 1.075 175.407 174.600 -0.447 0.000 0.987 561 S CA 0.434 58.488 58.200 -0.244 0.000 0.936 561 S CB -0.488 62.585 63.200 -0.212 0.000 0.766 561 S HN 0.588 nan 8.310 nan 0.000 0.528 562 Y N 1.262 121.467 120.300 -0.158 0.000 2.458 562 Y HA 0.473 5.023 4.550 0.000 0.000 0.256 562 Y C 0.728 176.518 175.900 -0.183 0.000 1.159 562 Y CA -0.438 57.615 58.100 -0.079 0.000 1.261 562 Y CB 0.354 38.830 38.460 0.026 0.000 1.119 562 Y HN 0.194 nan 8.280 nan 0.000 0.524 563 K N 0.348 120.546 120.400 -0.337 0.000 2.292 563 K HA 0.441 4.761 4.320 0.000 0.000 0.257 563 K C -1.718 174.502 176.600 -0.633 0.000 0.940 563 K CA -0.561 55.565 56.287 -0.269 0.000 0.811 563 K CB 0.694 33.130 32.500 -0.107 0.000 1.120 563 K HN -0.047 nan 8.250 nan 0.000 0.428 564 F N 4.943 124.927 119.950 0.058 0.000 2.531 564 F HA 0.296 4.823 4.527 0.000 0.000 0.333 564 F C 0.440 176.282 175.800 0.070 0.000 1.292 564 F CA -0.766 57.264 58.000 0.050 0.000 1.184 564 F CB 0.200 39.223 39.000 0.039 0.000 1.426 564 F HN 0.727 nan 8.300 nan 0.000 0.559 565 N N 0.245 119.028 118.700 0.138 0.000 1.293 565 N HA -0.382 4.358 4.740 0.000 0.000 0.140 565 N C 1.162 176.792 175.510 0.199 0.000 0.753 565 N CA 1.904 55.042 53.050 0.146 0.000 0.979 565 N CB -0.832 37.746 38.487 0.151 0.000 1.228 565 N HN 0.596 nan 8.380 nan 0.000 0.509 566 H N 1.004 120.140 119.070 0.109 0.000 2.551 566 H HA 0.316 4.873 4.556 0.000 0.000 0.266 566 H C 0.186 175.607 175.328 0.155 0.000 0.977 566 H CA 0.300 56.411 56.048 0.105 0.000 1.163 566 H CB -0.095 29.720 29.762 0.088 0.000 1.381 566 H HN 0.291 nan 8.280 nan 0.000 0.581 567 L N 1.422 122.760 121.223 0.191 0.000 2.260 567 L HA 0.340 4.680 4.340 0.000 0.000 0.289 567 L C -1.003 176.016 176.870 0.249 0.000 1.057 567 L CA -0.365 54.604 54.840 0.216 0.000 0.811 567 L CB 0.930 43.132 42.059 0.238 0.000 1.184 567 L HN -0.095 nan 8.230 nan 0.000 0.429 568 V N 7.287 127.304 119.914 0.171 0.000 2.380 568 V HA 0.359 4.479 4.120 0.000 0.000 0.268 568 V C -2.174 174.031 176.094 0.184 0.000 1.008 568 V CA -1.391 61.018 62.300 0.182 0.000 0.823 568 V CB 0.927 32.786 31.823 0.061 0.000 1.053 568 V HN 0.695 nan 8.190 nan 0.000 0.446 569 P HA 0.107 nan 4.420 nan 0.000 0.266 569 P C 0.228 177.625 177.300 0.163 0.000 1.193 569 P CA 0.084 63.302 63.100 0.196 0.000 0.770 569 P CB 0.522 32.326 31.700 0.172 0.000 0.836 570 R N 1.922 122.496 120.500 0.124 0.000 2.623 570 R HA 0.133 4.473 4.340 0.000 0.000 0.271 570 R C 0.220 176.577 176.300 0.094 0.000 1.043 570 R CA -0.306 55.844 56.100 0.083 0.000 1.083 570 R CB -0.117 30.221 30.300 0.063 0.000 0.974 570 R HN 0.471 nan 8.270 nan 0.000 0.436 571 L N 2.467 123.725 121.223 0.058 0.000 2.439 571 L HA 0.235 4.575 4.340 0.000 0.000 0.269 571 L C -0.134 176.767 176.870 0.052 0.000 1.179 571 L CA -0.332 54.538 54.840 0.049 0.000 0.828 571 L CB 0.875 42.913 42.059 -0.036 0.000 1.106 571 L HN 0.287 nan 8.230 nan 0.000 0.467 572 V N 3.533 123.490 119.914 0.071 0.000 2.531 572 V HA 0.260 4.380 4.120 0.000 0.000 0.301 572 V C -0.299 175.833 176.094 0.062 0.000 1.034 572 V CA -0.626 61.710 62.300 0.060 0.000 0.865 572 V CB 2.004 33.865 31.823 0.064 0.000 0.995 572 V HN 0.440 nan 8.190 nan 0.000 0.424 573 L N 5.078 126.337 121.223 0.059 0.000 2.313 573 L HA 0.396 4.736 4.340 0.000 0.000 0.282 573 L C 0.701 177.615 176.870 0.073 0.000 1.092 573 L CA 0.432 55.331 54.840 0.098 0.000 0.831 573 L CB 0.981 43.096 42.059 0.094 0.000 1.159 573 L HN 0.610 nan 8.230 nan 0.000 0.442 574 Q N 5.295 125.108 119.800 0.023 0.000 3.223 574 Q HA 0.009 4.349 4.340 0.000 0.000 0.299 574 Q C 1.199 177.031 176.000 -0.280 0.000 1.385 574 Q CA 0.171 55.869 55.803 -0.176 0.000 0.942 574 Q CB -0.303 28.254 28.738 -0.302 0.000 1.748 574 Q HN 0.721 nan 8.270 nan 0.000 0.523 575 R N 1.036 121.529 120.500 -0.011 0.000 2.113 575 R HA -0.210 4.130 4.340 0.000 0.000 0.244 575 R C 1.156 177.481 176.300 0.041 0.000 1.142 575 R CA 1.455 57.598 56.100 0.072 0.000 0.953 575 R CB 0.394 30.719 30.300 0.043 0.000 0.860 575 R HN 0.253 nan 8.270 nan 0.000 0.438 576 E N 0.707 120.908 120.200 0.002 0.000 2.077 576 E HA -0.178 4.172 4.350 0.000 0.000 0.193 576 E C 1.933 178.576 176.600 0.071 0.000 0.989 576 E CA 1.402 57.827 56.400 0.042 0.000 0.800 576 E CB -0.069 29.681 29.700 0.083 0.000 0.746 576 E HN 0.441 nan 8.360 nan 0.000 0.452 577 K N -0.141 120.256 120.400 -0.005 0.000 2.057 577 K HA -0.128 4.193 4.320 0.000 0.000 0.207 577 K C 2.125 178.761 176.600 0.060 0.000 1.049 577 K CA 1.124 57.415 56.287 0.008 0.000 0.931 577 K CB -0.222 32.184 32.500 -0.157 0.000 0.714 577 K HN 0.223 nan 8.250 nan 0.000 0.440 578 H N -0.184 118.967 119.070 0.135 0.000 2.357 578 H HA -0.124 4.432 4.556 0.000 0.000 0.301 578 H C 1.996 177.454 175.328 0.217 0.000 1.082 578 H CA 1.137 57.291 56.048 0.177 0.000 1.342 578 H CB -0.552 29.285 29.762 0.125 0.000 1.389 578 H HN 0.158 nan 8.280 nan 0.000 0.511 579 F N 2.208 122.213 119.950 0.091 0.000 2.069 579 F HA -0.245 4.282 4.527 0.000 0.000 0.298 579 F C 2.481 178.260 175.800 -0.035 0.000 1.113 579 F CA 1.589 59.563 58.000 -0.043 0.000 1.214 579 F CB -0.516 38.355 39.000 -0.216 0.000 0.978 579 F HN 0.143 nan 8.300 nan 0.000 0.474 580 H N -1.572 117.397 119.070 -0.167 0.000 2.387 580 H HA -0.185 4.371 4.556 0.000 0.000 0.299 580 H C 2.105 177.387 175.328 -0.076 0.000 1.090 580 H CA 1.873 57.760 56.048 -0.268 0.000 1.332 580 H CB -1.171 28.546 29.762 -0.074 0.000 1.386 580 H HN 0.466 nan 8.280 nan 0.000 0.516 581 Y N 1.588 121.930 120.300 0.070 0.000 2.145 581 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 581 Y C 2.393 178.412 175.900 0.198 0.000 1.145 581 Y CA 1.069 59.243 58.100 0.123 0.000 1.148 581 Y CB -0.681 37.856 38.460 0.128 0.000 0.981 581 Y HN 0.006 nan 8.280 nan 0.000 0.507 582 L N 0.371 121.621 121.223 0.045 0.000 2.056 582 L HA -0.194 4.146 4.340 0.000 0.000 0.207 582 L C 2.658 179.421 176.870 -0.178 0.000 1.078 582 L CA 1.877 56.684 54.840 -0.056 0.000 0.749 582 L CB -0.633 41.460 42.059 0.057 0.000 0.901 582 L HN 0.122 nan 8.230 nan 0.000 0.433 583 K N 0.371 120.616 120.400 -0.258 0.000 2.063 583 K HA -0.265 4.055 4.320 0.000 0.000 0.208 583 K C 2.371 178.852 176.600 -0.199 0.000 1.048 583 K CA 1.544 57.657 56.287 -0.290 0.000 0.928 583 K CB 0.033 32.203 32.500 -0.549 0.000 0.713 583 K HN -0.005 nan 8.250 nan 0.000 0.442 584 R N 0.343 120.752 120.500 -0.151 0.000 2.075 584 R HA -0.031 4.309 4.340 0.000 0.000 0.232 584 R C 2.181 178.390 176.300 -0.152 0.000 1.126 584 R CA 2.046 58.085 56.100 -0.101 0.000 0.963 584 R CB -1.154 29.135 30.300 -0.018 0.000 0.858 584 R HN 0.327 nan 8.270 nan 0.000 0.435 585 G N 0.557 109.224 108.800 -0.222 0.000 2.432 585 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 585 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 585 G C 1.242 175.833 174.900 -0.515 0.000 1.135 585 G CA 0.739 45.563 45.100 -0.460 0.000 0.767 585 G HN 0.352 nan 8.290 nan 0.000 0.550 586 L N -0.110 120.877 121.223 -0.393 0.000 2.265 586 L HA 0.131 4.471 4.340 0.000 0.000 0.215 586 L C 2.544 179.258 176.870 -0.260 0.000 1.117 586 L CA 1.296 55.948 54.840 -0.313 0.000 0.782 586 L CB -0.109 41.821 42.059 -0.214 0.000 0.914 586 L HN 0.023 nan 8.230 nan 0.000 0.441 587 R N -1.269 119.098 120.500 -0.223 0.000 2.102 587 R HA 0.277 4.617 4.340 0.000 0.000 0.208 587 R C 0.485 176.676 176.300 -0.181 0.000 1.131 587 R CA 0.356 56.347 56.100 -0.181 0.000 1.054 587 R CB -0.001 30.223 30.300 -0.127 0.000 0.954 587 R HN 0.392 nan 8.270 nan 0.000 0.465 588 Q N -0.024 119.678 119.800 -0.164 0.000 2.421 588 Q HA 0.579 4.919 4.340 0.000 0.000 0.280 588 Q C -1.626 174.302 176.000 -0.120 0.000 1.085 588 Q CA -0.524 55.204 55.803 -0.126 0.000 0.807 588 Q CB 2.311 31.006 28.738 -0.072 0.000 1.405 588 Q HN -0.001 nan 8.270 nan 0.000 0.419 589 L N 1.147 122.320 121.223 -0.083 0.000 2.409 589 L HA 0.558 4.898 4.340 0.000 0.000 0.262 589 L C 0.120 177.040 176.870 0.082 0.000 0.992 589 L CA -0.966 53.853 54.840 -0.036 0.000 0.817 589 L CB 2.263 44.228 42.059 -0.156 0.000 1.350 589 L HN 0.791 nan 8.230 nan 0.000 0.411 590 T N -3.575 111.088 114.554 0.183 0.000 2.788 590 T HA 0.077 4.428 4.350 0.000 0.000 0.287 590 T C 0.732 175.556 174.700 0.205 0.000 1.007 590 T CA -0.187 62.019 62.100 0.176 0.000 1.005 590 T CB 0.727 69.706 68.868 0.185 0.000 1.012 590 T HN 0.744 nan 8.240 nan 0.000 0.530 591 D N -0.140 120.343 120.400 0.140 0.000 2.403 591 D HA 0.016 4.656 4.640 0.000 0.000 0.227 591 D C 1.835 178.210 176.300 0.126 0.000 0.995 591 D CA 0.805 54.878 54.000 0.122 0.000 0.928 591 D CB -0.617 40.230 40.800 0.079 0.000 0.887 591 D HN 0.669 nan 8.370 nan 0.000 0.529 592 A N -0.521 122.388 122.820 0.148 0.000 2.121 592 A HA -0.086 4.234 4.320 0.000 0.000 0.218 592 A C 1.031 178.595 177.584 -0.034 0.000 1.154 592 A CA 0.510 52.581 52.037 0.058 0.000 0.679 592 A CB -0.789 18.245 19.000 0.058 0.000 0.795 592 A HN 0.357 nan 8.150 nan 0.000 0.458 593 Y N -0.090 120.280 120.300 0.117 0.000 2.524 593 Y HA 0.166 4.717 4.550 0.000 0.000 0.266 593 Y C 1.750 177.716 175.900 0.110 0.000 1.180 593 Y CA -0.108 58.075 58.100 0.140 0.000 1.244 593 Y CB 0.031 38.594 38.460 0.172 0.000 1.125 593 Y HN 0.435 nan 8.280 nan 0.000 0.524 594 E N -0.422 119.873 120.200 0.158 0.000 2.204 594 E HA -0.225 4.125 4.350 0.000 0.000 0.195 594 E C 2.032 178.692 176.600 0.101 0.000 0.990 594 E CA 1.452 57.923 56.400 0.118 0.000 0.821 594 E CB -0.187 29.561 29.700 0.080 0.000 0.750 594 E HN 0.646 nan 8.360 nan 0.000 0.477 595 C N -0.528 118.819 119.300 0.077 0.000 2.466 595 C HA 0.075 4.535 4.460 0.000 0.000 0.283 595 C C 1.708 176.762 174.990 0.106 0.000 1.472 595 C CA -0.108 58.949 59.018 0.065 0.000 1.765 595 C CB -0.976 26.780 27.740 0.025 0.000 1.724 595 C HN 0.222 nan 8.230 nan 0.000 0.560 596 L N 0.692 122.016 121.223 0.169 0.000 3.066 596 L HA 0.236 4.576 4.340 0.000 0.000 0.265 596 L C 1.491 178.479 176.870 0.196 0.000 1.232 596 L CA 0.153 55.129 54.840 0.227 0.000 1.031 596 L CB -0.249 42.042 42.059 0.387 0.000 1.379 596 L HN 0.152 nan 8.230 nan 0.000 0.563 597 D N 1.244 121.732 120.400 0.146 0.000 2.350 597 D HA -0.108 4.532 4.640 0.000 0.000 0.216 597 D C 1.635 177.993 176.300 0.098 0.000 0.968 597 D CA 0.958 55.029 54.000 0.119 0.000 0.894 597 D CB 0.497 41.351 40.800 0.090 0.000 0.909 597 D HN 0.291 nan 8.370 nan 0.000 0.520 598 A N -0.952 121.920 122.820 0.087 0.000 2.545 598 A HA 0.407 4.727 4.320 0.000 0.000 0.277 598 A C 0.849 178.477 177.584 0.074 0.000 1.301 598 A CA -0.291 51.777 52.037 0.050 0.000 0.935 598 A CB 0.442 19.449 19.000 0.012 0.000 1.093 598 A HN 0.034 nan 8.150 nan 0.000 0.519 599 S N -0.808 114.974 115.700 0.138 0.000 3.025 599 S HA 0.175 4.645 4.470 0.000 0.000 0.251 599 S C 1.153 175.846 174.600 0.154 0.000 0.954 599 S CA -0.464 57.865 58.200 0.215 0.000 1.092 599 S CB 0.021 63.419 63.200 0.329 0.000 1.079 599 S HN 0.598 nan 8.310 nan 0.000 0.543 600 R N 1.742 122.323 120.500 0.135 0.000 2.115 600 R HA -0.029 4.311 4.340 0.000 0.000 0.230 600 R C -1.163 175.207 176.300 0.117 0.000 1.111 600 R CA 1.238 57.432 56.100 0.157 0.000 0.976 600 R CB -1.059 29.422 30.300 0.301 0.000 0.870 600 R HN 0.293 nan 8.270 nan 0.000 0.445 601 P HA -0.137 nan 4.420 nan 0.000 0.221 601 P C 0.370 177.557 177.300 -0.187 0.000 1.150 601 P CA 0.963 63.999 63.100 -0.107 0.000 0.800 601 P CB -0.036 31.506 31.700 -0.264 0.000 0.787 602 W N -0.595 120.514 121.300 -0.318 0.000 2.358 602 W HA -0.097 4.563 4.660 0.000 0.000 0.303 602 W C 2.054 177.994 176.519 -0.964 0.000 1.208 602 W CA 0.364 57.263 57.345 -0.743 0.000 1.274 602 W CB -0.739 28.102 29.460 -1.032 0.000 1.138 602 W HN -0.139 nan 8.180 nan 0.000 0.515 603 L N -0.975 120.071 121.223 -0.295 0.000 2.083 603 L HA -0.283 4.057 4.340 0.000 0.000 0.209 603 L C 2.369 179.190 176.870 -0.081 0.000 1.083 603 L CA 1.048 55.839 54.840 -0.083 0.000 0.752 603 L CB -0.942 41.083 42.059 -0.057 0.000 0.899 603 L HN 0.100 nan 8.230 nan 0.000 0.433 604 C N -1.364 117.893 119.300 -0.071 0.000 2.432 604 C HA -0.226 4.234 4.460 0.000 0.000 0.277 604 C C 2.740 177.734 174.990 0.006 0.000 1.249 604 C CA 0.644 59.635 59.018 -0.044 0.000 1.725 604 C CB -0.782 26.959 27.740 0.002 0.000 2.028 604 C HN 0.565 nan 8.230 nan 0.000 0.477 605 Y N 0.616 120.857 120.300 -0.098 0.000 2.114 605 Y HA -0.168 4.382 4.550 0.000 0.000 0.284 605 Y C 2.294 178.297 175.900 0.172 0.000 1.143 605 Y CA 1.397 59.480 58.100 -0.029 0.000 1.135 605 Y CB -0.741 37.667 38.460 -0.087 0.000 0.980 605 Y HN 0.376 nan 8.280 nan 0.000 0.499 606 W N 0.623 121.877 121.300 -0.076 0.000 2.338 606 W HA -0.229 4.431 4.660 0.000 0.000 0.304 606 W C 2.478 178.897 176.519 -0.167 0.000 1.212 606 W CA 1.460 58.705 57.345 -0.167 0.000 1.264 606 W CB -1.289 28.274 29.460 0.173 0.000 1.142 606 W HN 0.197 nan 8.180 nan 0.000 0.512 607 I N -0.428 120.203 120.570 0.102 0.000 2.233 607 I HA -0.280 3.891 4.170 0.000 0.000 0.243 607 I C 2.427 178.519 176.117 -0.042 0.000 1.093 607 I CA 1.035 62.319 61.300 -0.025 0.000 1.380 607 I CB -0.785 37.092 38.000 -0.205 0.000 1.067 607 I HN -0.173 nan 8.210 nan 0.000 0.413 608 L N -0.109 121.088 121.223 -0.043 0.000 2.083 608 L HA -0.252 4.088 4.340 0.000 0.000 0.209 608 L C 2.738 179.601 176.870 -0.012 0.000 1.083 608 L CA 1.364 56.192 54.840 -0.021 0.000 0.752 608 L CB -0.797 41.262 42.059 0.001 0.000 0.899 608 L HN 0.331 nan 8.230 nan 0.000 0.433 609 H N -0.360 118.589 119.070 -0.202 0.000 2.389 609 H HA -0.091 4.465 4.556 0.000 0.000 0.299 609 H C 2.369 177.585 175.328 -0.188 0.000 1.081 609 H CA 1.533 57.436 56.048 -0.242 0.000 1.345 609 H CB 0.113 29.551 29.762 -0.540 0.000 1.393 609 H HN 0.115 nan 8.280 nan 0.000 0.520 610 S N -0.052 115.506 115.700 -0.237 0.000 2.356 610 S HA -0.101 4.369 4.470 0.000 0.000 0.223 610 S C 2.330 176.853 174.600 -0.129 0.000 1.032 610 S CA 1.240 59.308 58.200 -0.220 0.000 1.005 610 S CB -0.296 62.859 63.200 -0.076 0.000 0.867 610 S HN 0.359 nan 8.310 nan 0.000 0.449 611 L N 1.326 122.519 121.223 -0.049 0.000 2.046 611 L HA -0.148 4.192 4.340 0.000 0.000 0.208 611 L C 2.731 179.576 176.870 -0.041 0.000 1.077 611 L CA 1.496 56.342 54.840 0.009 0.000 0.747 611 L CB -0.540 41.550 42.059 0.052 0.000 0.896 611 L HN 0.428 nan 8.230 nan 0.000 0.432 612 E N 0.842 121.001 120.200 -0.068 0.000 2.051 612 E HA -0.240 4.110 4.350 0.000 0.000 0.192 612 E C 2.333 178.874 176.600 -0.098 0.000 0.991 612 E CA 1.257 57.623 56.400 -0.058 0.000 0.799 612 E CB -0.113 29.587 29.700 -0.000 0.000 0.748 612 E HN 0.466 nan 8.360 nan 0.000 0.449 613 L N 0.547 121.647 121.223 -0.204 0.000 2.083 613 L HA -0.160 4.180 4.340 0.000 0.000 0.209 613 L C 2.406 179.223 176.870 -0.089 0.000 1.083 613 L CA 0.792 55.523 54.840 -0.182 0.000 0.752 613 L CB -0.215 41.659 42.059 -0.310 0.000 0.899 613 L HN 0.255 nan 8.230 nan 0.000 0.433 614 L N -0.669 120.507 121.223 -0.079 0.000 2.599 614 L HA -0.029 4.311 4.340 0.000 0.000 0.230 614 L C 0.418 177.250 176.870 -0.063 0.000 1.141 614 L CA 0.010 54.825 54.840 -0.043 0.000 0.877 614 L CB -0.411 41.646 42.059 -0.004 0.000 1.009 614 L HN 0.255 nan 8.230 nan 0.000 0.447 615 D N 1.107 121.468 120.400 -0.065 0.000 2.772 615 D HA -0.184 4.457 4.640 0.000 0.000 0.233 615 D C -0.053 176.179 176.300 -0.113 0.000 1.143 615 D CA 0.610 54.568 54.000 -0.071 0.000 0.700 615 D CB -0.325 40.440 40.800 -0.058 0.000 1.076 615 D HN 0.251 nan 8.370 nan 0.000 0.430 616 E N 1.082 121.208 120.200 -0.123 0.000 2.109 616 E HA 0.300 4.650 4.350 0.000 0.000 0.278 616 E C -1.908 174.633 176.600 -0.100 0.000 0.954 616 E CA -1.606 54.669 56.400 -0.208 0.000 0.779 616 E CB 1.054 30.604 29.700 -0.250 0.000 1.093 616 E HN 0.319 nan 8.360 nan 0.000 0.401 617 P HA 0.093 nan 4.420 nan 0.000 0.267 617 P C -0.217 177.083 177.300 -0.000 0.000 1.200 617 P CA -0.150 62.922 63.100 -0.047 0.000 0.772 617 P CB 0.875 32.543 31.700 -0.053 0.000 0.855 618 I N 3.776 124.345 120.570 -0.001 0.000 2.307 618 I HA 0.260 4.430 4.170 0.000 0.000 0.289 618 I C -1.930 174.186 176.117 -0.002 0.000 1.021 618 I CA -2.812 58.493 61.300 0.009 0.000 1.224 618 I CB 0.052 38.048 38.000 -0.007 0.000 1.376 618 I HN 0.179 nan 8.210 nan 0.000 0.470 619 P HA 0.086 nan 4.420 nan 0.000 0.265 619 P C 0.852 178.143 177.300 -0.014 0.000 1.187 619 P CA -0.085 63.016 63.100 0.001 0.000 0.766 619 P CB 0.661 32.368 31.700 0.012 0.000 0.820 620 Q N 1.546 121.334 119.800 -0.019 0.000 2.152 620 Q HA -0.173 4.167 4.340 0.000 0.000 0.206 620 Q C 1.640 177.624 176.000 -0.026 0.000 0.985 620 Q CA 1.195 56.981 55.803 -0.029 0.000 0.863 620 Q CB -0.273 28.448 28.738 -0.028 0.000 0.904 620 Q HN 0.483 nan 8.270 nan 0.000 0.422 621 I N 0.121 120.680 120.570 -0.019 0.000 2.179 621 I HA -0.204 3.966 4.170 0.000 0.000 0.242 621 I C 2.344 178.449 176.117 -0.020 0.000 1.088 621 I CA 1.102 62.391 61.300 -0.018 0.000 1.357 621 I CB -1.095 36.897 38.000 -0.014 0.000 1.051 621 I HN 0.062 nan 8.210 nan 0.000 0.409 622 V N 1.375 121.276 119.914 -0.021 0.000 2.343 622 V HA -0.226 3.895 4.120 0.000 0.000 0.247 622 V C 2.838 178.914 176.094 -0.029 0.000 1.051 622 V CA 1.639 63.922 62.300 -0.028 0.000 1.036 622 V CB -1.186 30.620 31.823 -0.027 0.000 0.654 622 V HN 0.437 nan 8.190 nan 0.000 0.451 623 A N -0.110 122.692 122.820 -0.030 0.000 1.877 623 A HA -0.241 4.080 4.320 0.000 0.000 0.216 623 A C 2.414 179.977 177.584 -0.034 0.000 1.186 623 A CA 2.600 54.614 52.037 -0.038 0.000 0.620 623 A CB -1.044 17.925 19.000 -0.051 0.000 0.822 623 A HN 0.486 nan 8.150 nan 0.000 0.443 624 T N 0.138 114.674 114.554 -0.031 0.000 2.788 624 T HA -0.115 4.235 4.350 0.000 0.000 0.268 624 T C 1.474 176.173 174.700 -0.002 0.000 1.044 624 T CA 1.543 63.630 62.100 -0.022 0.000 1.139 624 T CB -0.412 68.444 68.868 -0.021 0.000 0.867 624 T HN 0.461 nan 8.240 nan 0.000 0.454 625 D N 0.733 121.131 120.400 -0.002 0.000 2.144 625 D HA -0.045 4.595 4.640 0.000 0.000 0.199 625 D C 2.220 178.549 176.300 0.048 0.000 0.984 625 D CA 0.575 54.583 54.000 0.013 0.000 0.834 625 D CB -0.479 40.313 40.800 -0.013 0.000 0.955 625 D HN 0.204 nan 8.370 nan 0.000 0.465 626 V N 0.463 120.394 119.914 0.029 0.000 2.358 626 V HA -0.256 3.865 4.120 0.000 0.000 0.246 626 V C 2.674 178.821 176.094 0.088 0.000 1.047 626 V CA 1.174 63.514 62.300 0.067 0.000 1.035 626 V CB -0.470 31.361 31.823 0.014 0.000 0.658 626 V HN 0.293 nan 8.190 nan 0.000 0.452 627 C N -0.290 119.030 119.300 0.033 0.000 2.413 627 C HA -0.222 4.238 4.460 0.000 0.000 0.276 627 C C 2.876 177.894 174.990 0.046 0.000 1.236 627 C CA 1.256 60.286 59.018 0.021 0.000 1.735 627 C CB -1.141 26.594 27.740 -0.008 0.000 2.031 627 C HN 0.612 nan 8.230 nan 0.000 0.474 628 Q N -0.719 119.116 119.800 0.058 0.000 2.124 628 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 628 Q C 2.035 178.092 176.000 0.094 0.000 0.977 628 Q CA 1.646 57.487 55.803 0.063 0.000 0.850 628 Q CB -0.403 28.371 28.738 0.059 0.000 0.901 628 Q HN 0.771 nan 8.270 nan 0.000 0.429 629 F N 1.325 121.270 119.950 -0.008 0.000 2.146 629 F HA -0.123 4.404 4.527 0.000 0.000 0.298 629 F C 1.724 177.535 175.800 0.018 0.000 1.096 629 F CA 1.146 59.142 58.000 -0.006 0.000 1.275 629 F CB -0.168 38.815 39.000 -0.028 0.000 1.008 629 F HN -0.062 nan 8.300 nan 0.000 0.480 630 L N 0.108 121.240 121.223 -0.152 0.000 2.201 630 L HA -0.176 4.164 4.340 0.000 0.000 0.212 630 L C 2.448 179.324 176.870 0.011 0.000 1.105 630 L CA 1.625 56.350 54.840 -0.191 0.000 0.775 630 L CB -0.790 41.202 42.059 -0.112 0.000 0.913 630 L HN 0.275 nan 8.230 nan 0.000 0.440 631 E N 0.826 121.031 120.200 0.008 0.000 2.106 631 E HA -0.206 4.145 4.350 0.000 0.000 0.192 631 E C 2.295 178.849 176.600 -0.077 0.000 0.984 631 E CA 0.899 57.307 56.400 0.012 0.000 0.806 631 E CB 0.020 29.726 29.700 0.010 0.000 0.750 631 E HN 0.488 nan 8.360 nan 0.000 0.458 632 L N 0.094 121.240 121.223 -0.129 0.000 2.275 632 L HA -0.144 4.196 4.340 0.000 0.000 0.215 632 L C 2.270 179.019 176.870 -0.202 0.000 1.119 632 L CA 0.391 55.143 54.840 -0.146 0.000 0.790 632 L CB -0.084 41.906 42.059 -0.115 0.000 0.919 632 L HN 0.370 nan 8.230 nan 0.000 0.443 633 C N -1.049 118.088 119.300 -0.272 0.000 2.563 633 C HA -0.004 4.457 4.460 0.000 0.000 0.268 633 C C 1.504 176.420 174.990 -0.123 0.000 1.365 633 C CA -0.455 58.441 59.018 -0.203 0.000 1.754 633 C CB -0.726 26.863 27.740 -0.252 0.000 1.932 633 C HN 0.402 nan 8.230 nan 0.000 0.536 634 Q N 1.550 121.218 119.800 -0.221 0.000 2.313 634 Q HA 0.176 4.516 4.340 0.000 0.000 0.266 634 Q C 0.200 175.969 176.000 -0.384 0.000 0.989 634 Q CA 0.210 55.649 55.803 -0.606 0.000 0.890 634 Q CB 0.627 28.904 28.738 -0.768 0.000 1.200 634 Q HN 0.445 nan 8.270 nan 0.000 0.396 635 S N 3.816 119.271 115.700 -0.409 0.000 2.586 635 S HA 0.336 4.806 4.470 0.000 0.000 0.274 635 S C -1.618 172.836 174.600 -0.245 0.000 1.281 635 S CA -1.592 56.449 58.200 -0.266 0.000 1.035 635 S CB 0.832 63.875 63.200 -0.262 0.000 0.962 635 S HN 0.640 nan 8.310 nan 0.000 0.512 636 P HA -0.109 nan 4.420 nan 0.000 0.222 636 P C 0.643 177.868 177.300 -0.125 0.000 1.147 636 P CA 0.953 63.977 63.100 -0.127 0.000 0.790 636 P CB -0.110 31.541 31.700 -0.082 0.000 0.780 637 E N -0.126 119.991 120.200 -0.138 0.000 2.489 637 E HA 0.306 4.656 4.350 0.000 0.000 0.193 637 E C 0.650 177.172 176.600 -0.130 0.000 1.057 637 E CA 0.107 56.445 56.400 -0.104 0.000 0.866 637 E CB -0.351 29.306 29.700 -0.072 0.000 0.916 637 E HN 0.122 nan 8.360 nan 0.000 0.500 638 G N -0.413 108.241 108.800 -0.243 0.000 2.650 638 G HA2 0.289 4.249 3.960 0.000 0.000 0.686 638 G HA3 0.289 4.249 3.960 0.000 0.000 0.686 638 G C 0.281 174.835 174.900 -0.577 0.000 1.205 638 G CA -0.585 44.346 45.100 -0.280 0.000 0.781 638 G HN 1.008 nan 8.290 nan 0.000 0.648 639 G N -0.949 107.561 108.800 -0.483 0.000 2.796 639 G HA2 0.362 4.322 3.960 0.000 0.000 0.571 639 G HA3 0.362 4.322 3.960 0.000 0.000 0.571 639 G C -0.488 174.076 174.900 -0.560 0.000 1.370 639 G CA 0.158 44.981 45.100 -0.463 0.000 0.856 639 G HN 1.784 nan 8.290 nan 0.000 0.538 640 F N 0.296 120.110 119.950 -0.227 0.000 2.546 640 F HA 0.717 5.245 4.527 0.000 0.000 0.320 640 F C 1.074 176.789 175.800 -0.141 0.000 1.076 640 F CA 0.203 58.091 58.000 -0.187 0.000 0.928 640 F CB 2.158 41.047 39.000 -0.185 0.000 1.189 640 F HN 0.824 nan 8.300 nan 0.000 0.465 641 G N -0.070 108.755 108.800 0.041 0.000 2.552 641 G HA2 0.443 4.404 3.960 0.000 0.000 0.318 641 G HA3 0.443 4.404 3.960 0.000 0.000 0.318 641 G C 0.813 175.711 174.900 -0.003 0.000 1.240 641 G CA -0.427 44.687 45.100 0.024 0.000 1.002 641 G HN 0.901 nan 8.290 nan 0.000 0.493 642 G N -1.696 107.097 108.800 -0.013 0.000 2.679 642 G HA2 0.435 4.395 3.960 0.000 0.000 0.212 642 G HA3 0.435 4.395 3.960 0.000 0.000 0.212 642 G C 0.688 175.606 174.900 0.031 0.000 1.137 642 G CA 1.032 46.128 45.100 -0.005 0.000 0.787 642 G HN 1.237 nan 8.290 nan 0.000 0.534 643 G N -1.452 107.349 108.800 0.002 0.000 2.506 643 G HA2 0.485 4.445 3.960 0.000 0.000 0.292 643 G HA3 0.485 4.445 3.960 0.000 0.000 0.292 643 G C -3.416 171.458 174.900 -0.043 0.000 1.425 643 G CA -1.001 44.116 45.100 0.027 0.000 0.788 643 G HN -0.113 nan 8.290 nan 0.000 0.490 644 P HA 0.293 nan 4.420 nan 0.000 0.261 644 P C 1.056 178.337 177.300 -0.030 0.000 1.183 644 P CA 2.040 65.109 63.100 -0.052 0.000 0.761 644 P CB 0.925 32.628 31.700 0.005 0.000 0.785 645 G N 1.887 110.662 108.800 -0.041 0.000 2.205 645 G HA2 -0.271 3.689 3.960 0.000 0.000 0.261 645 G HA3 -0.271 3.689 3.960 0.000 0.000 0.261 645 G C 0.172 175.052 174.900 -0.034 0.000 0.980 645 G CA -0.234 44.850 45.100 -0.026 0.000 0.632 645 G HN 0.562 nan 8.290 nan 0.000 0.533 646 Q N -0.454 119.319 119.800 -0.044 0.000 2.306 646 Q HA 0.501 4.841 4.340 0.000 0.000 0.241 646 Q C 0.177 176.204 176.000 0.045 0.000 0.948 646 Q CA -0.603 55.157 55.803 -0.073 0.000 0.886 646 Q CB 0.779 29.483 28.738 -0.057 0.000 1.227 646 Q HN 0.511 nan 8.270 nan 0.000 0.457 647 Y N 1.891 122.186 120.300 -0.009 0.000 2.550 647 Y HA 0.038 4.588 4.550 0.000 0.000 0.343 647 Y C -1.553 174.341 175.900 -0.011 0.000 1.245 647 Y CA -1.889 56.210 58.100 -0.001 0.000 1.462 647 Y CB 0.084 38.579 38.460 0.058 0.000 1.340 647 Y HN 0.437 nan 8.280 nan 0.000 0.604 648 P HA 0.007 nan 4.420 nan 0.000 0.272 648 P C -1.067 176.368 177.300 0.226 0.000 1.230 648 P CA 0.448 63.515 63.100 -0.055 0.000 0.788 648 P CB 1.230 32.568 31.700 -0.603 0.000 0.949 649 H N 1.523 120.676 119.070 0.138 0.000 3.038 649 H HA 0.184 4.740 4.556 0.000 0.000 0.362 649 H C 0.710 176.182 175.328 0.240 0.000 1.167 649 H CA -0.541 55.654 56.048 0.245 0.000 1.197 649 H CB 1.499 31.325 29.762 0.106 0.000 1.840 649 H HN 0.204 nan 8.280 nan 0.000 0.540 650 L N 2.752 124.175 121.223 0.333 0.000 2.131 650 L HA -0.160 4.180 4.340 0.000 0.000 0.210 650 L C 2.466 179.512 176.870 0.293 0.000 1.092 650 L CA 1.505 56.514 54.840 0.283 0.000 0.759 650 L CB -0.416 41.723 42.059 0.133 0.000 0.903 650 L HN 0.663 nan 8.230 nan 0.000 0.435 651 A N 0.923 124.049 122.820 0.510 0.000 1.841 651 A HA -0.098 4.223 4.320 0.000 0.000 0.214 651 A C -0.101 177.321 177.584 -0.269 0.000 1.195 651 A CA 1.561 53.760 52.037 0.270 0.000 0.611 651 A CB -1.831 17.486 19.000 0.529 0.000 0.835 651 A HN 0.283 nan 8.150 nan 0.000 0.443 652 P HA -0.074 nan 4.420 nan 0.000 0.223 652 P C 1.208 178.329 177.300 -0.298 0.000 1.151 652 P CA 1.514 64.362 63.100 -0.419 0.000 0.787 652 P CB -0.287 31.298 31.700 -0.192 0.000 0.788 653 T N -0.677 113.842 114.554 -0.058 0.000 2.737 653 T HA -0.177 4.173 4.350 0.000 0.000 0.265 653 T C 1.702 176.306 174.700 -0.161 0.000 1.038 653 T CA 1.176 63.293 62.100 0.028 0.000 1.144 653 T CB -1.095 67.900 68.868 0.212 0.000 0.866 653 T HN 0.074 nan 8.240 nan 0.000 0.434 654 Y N 2.246 122.382 120.300 -0.273 0.000 2.128 654 Y HA -0.090 4.460 4.550 0.000 0.000 0.284 654 Y C 2.482 178.065 175.900 -0.528 0.000 1.154 654 Y CA 1.108 59.004 58.100 -0.340 0.000 1.149 654 Y CB -0.756 37.543 38.460 -0.269 0.000 0.976 654 Y HN 0.165 nan 8.280 nan 0.000 0.505 655 A N 0.735 123.067 122.820 -0.812 0.000 1.902 655 A HA -0.091 4.229 4.320 0.000 0.000 0.217 655 A C 2.448 179.626 177.584 -0.677 0.000 1.181 655 A CA 1.973 53.443 52.037 -0.946 0.000 0.623 655 A CB -1.561 16.791 19.000 -1.080 0.000 0.818 655 A HN 0.657 nan 8.150 nan 0.000 0.443 656 A N -0.565 121.851 122.820 -0.674 0.000 1.877 656 A HA -0.012 4.308 4.320 0.000 0.000 0.216 656 A C 2.238 179.416 177.584 -0.678 0.000 1.186 656 A CA 1.841 53.418 52.037 -0.767 0.000 0.620 656 A CB -0.973 17.185 19.000 -1.404 0.000 0.822 656 A HN 0.396 nan 8.150 nan 0.000 0.443 657 V N 0.766 120.304 119.914 -0.626 0.000 2.343 657 V HA -0.251 3.869 4.120 0.000 0.000 0.247 657 V C 2.352 178.244 176.094 -0.337 0.000 1.051 657 V CA 2.218 64.280 62.300 -0.396 0.000 1.036 657 V CB -1.033 30.614 31.823 -0.293 0.000 0.654 657 V HN 0.542 nan 8.190 nan 0.000 0.451 658 N N 0.416 118.817 118.700 -0.498 0.000 2.120 658 N HA -0.115 4.625 4.740 0.000 0.000 0.188 658 N C 1.857 177.269 175.510 -0.164 0.000 1.024 658 N CA 1.657 54.458 53.050 -0.415 0.000 0.852 658 N CB -0.554 37.432 38.487 -0.835 0.000 1.003 658 N HN 0.476 nan 8.380 nan 0.000 0.424 659 A N 0.828 123.554 122.820 -0.157 0.000 1.877 659 A HA -0.078 4.242 4.320 0.000 0.000 0.216 659 A C 2.325 179.871 177.584 -0.063 0.000 1.186 659 A CA 1.029 53.042 52.037 -0.039 0.000 0.620 659 A CB -0.810 18.146 19.000 -0.073 0.000 0.822 659 A HN 0.260 nan 8.150 nan 0.000 0.443 660 L N -0.900 120.257 121.223 -0.110 0.000 2.083 660 L HA -0.239 4.101 4.340 0.000 0.000 0.209 660 L C 2.609 179.480 176.870 0.002 0.000 1.083 660 L CA 1.166 55.971 54.840 -0.059 0.000 0.752 660 L CB -0.612 41.427 42.059 -0.033 0.000 0.899 660 L HN 0.488 nan 8.230 nan 0.000 0.433 661 C N -0.380 118.948 119.300 0.046 0.000 2.446 661 C HA -0.053 4.407 4.460 0.000 0.000 0.279 661 C C 2.697 177.725 174.990 0.064 0.000 1.366 661 C CA 0.159 59.261 59.018 0.139 0.000 1.763 661 C CB -0.551 27.233 27.740 0.074 0.000 1.929 661 C HN 0.428 nan 8.230 nan 0.000 0.509 662 I N 0.702 121.288 120.570 0.027 0.000 2.252 662 I HA -0.176 3.995 4.170 0.000 0.000 0.245 662 I C 2.270 178.380 176.117 -0.012 0.000 1.102 662 I CA 1.631 62.952 61.300 0.035 0.000 1.385 662 I CB -0.292 37.749 38.000 0.068 0.000 1.064 662 I HN 0.297 nan 8.210 nan 0.000 0.414 663 I N 0.575 121.114 120.570 -0.052 0.000 2.226 663 I HA -0.190 3.980 4.170 0.000 0.000 0.245 663 I C 1.898 177.909 176.117 -0.177 0.000 1.100 663 I CA 1.275 62.514 61.300 -0.102 0.000 1.374 663 I CB -0.804 37.126 38.000 -0.117 0.000 1.057 663 I HN 0.462 nan 8.210 nan 0.000 0.413 664 G N 1.684 110.331 108.800 -0.256 0.000 2.187 664 G HA2 -0.292 3.668 3.960 0.000 0.000 0.261 664 G HA3 -0.292 3.668 3.960 0.000 0.000 0.261 664 G C 0.448 174.880 174.900 -0.781 0.000 1.000 664 G CA 0.666 45.500 45.100 -0.444 0.000 0.718 664 G HN 0.518 nan 8.290 nan 0.000 0.519 665 T N -3.311 110.806 114.554 -0.729 0.000 2.902 665 T HA 0.624 4.974 4.350 0.000 0.000 0.280 665 T C 1.062 175.251 174.700 -0.851 0.000 0.992 665 T CA 0.205 61.947 62.100 -0.596 0.000 1.015 665 T CB 1.860 70.531 68.868 -0.328 0.000 1.044 665 T HN 0.184 nan 8.240 nan 0.000 0.520 666 E N -0.001 119.883 120.200 -0.526 0.000 2.153 666 E HA -0.171 4.179 4.350 0.000 0.000 0.194 666 E C 1.984 178.438 176.600 -0.242 0.000 0.988 666 E CA 1.073 57.227 56.400 -0.411 0.000 0.811 666 E CB 0.017 29.626 29.700 -0.152 0.000 0.746 666 E HN 0.904 nan 8.360 nan 0.000 0.466 667 E N 0.799 120.878 120.200 -0.202 0.000 2.077 667 E HA -0.219 4.131 4.350 0.000 0.000 0.193 667 E C 2.011 178.550 176.600 -0.101 0.000 0.989 667 E CA 1.117 57.453 56.400 -0.108 0.000 0.800 667 E CB -0.056 29.587 29.700 -0.094 0.000 0.746 667 E HN 0.202 nan 8.360 nan 0.000 0.452 668 A N 0.378 123.075 122.820 -0.205 0.000 1.873 668 A HA -0.156 4.164 4.320 0.000 0.000 0.215 668 A C 2.027 179.614 177.584 0.005 0.000 1.186 668 A CA 1.420 53.370 52.037 -0.144 0.000 0.616 668 A CB -1.108 17.743 19.000 -0.249 0.000 0.823 668 A HN 0.513 nan 8.150 nan 0.000 0.442 669 Y N 0.290 120.536 120.300 -0.091 0.000 2.128 669 Y HA -0.231 4.319 4.550 0.000 0.000 0.284 669 Y C 1.993 178.018 175.900 0.208 0.000 1.154 669 Y CA 0.734 58.840 58.100 0.010 0.000 1.149 669 Y CB -0.183 37.933 38.460 -0.573 0.000 0.976 669 Y HN 0.290 nan 8.280 nan 0.000 0.505 670 D N 0.272 120.833 120.400 0.268 0.000 2.371 670 D HA -0.085 4.556 4.640 0.000 0.000 0.221 670 D C 1.838 178.249 176.300 0.185 0.000 0.986 670 D CA 0.739 54.887 54.000 0.248 0.000 0.899 670 D CB -0.164 40.739 40.800 0.171 0.000 0.902 670 D HN 0.453 nan 8.370 nan 0.000 0.530 671 I N 0.773 121.445 120.570 0.169 0.000 2.315 671 I HA -0.153 4.017 4.170 0.000 0.000 0.248 671 I C 1.009 177.225 176.117 0.166 0.000 1.117 671 I CA 0.447 61.831 61.300 0.140 0.000 1.404 671 I CB -0.021 38.064 38.000 0.141 0.000 1.071 671 I HN -0.130 nan 8.210 nan 0.000 0.419 672 I N 2.524 123.237 120.570 0.239 0.000 2.662 672 I HA -0.109 4.061 4.170 0.000 0.000 0.285 672 I C 0.636 176.811 176.117 0.097 0.000 1.161 672 I CA 0.248 61.672 61.300 0.207 0.000 1.415 672 I CB -0.220 37.904 38.000 0.207 0.000 1.385 672 I HN 0.183 nan 8.210 nan 0.000 0.552 673 N N 7.287 125.981 118.700 -0.010 0.000 2.482 673 N HA 0.114 4.854 4.740 0.000 0.000 0.242 673 N C 0.962 176.452 175.510 -0.032 0.000 1.100 673 N CA -0.002 53.029 53.050 -0.032 0.000 0.946 673 N CB 0.536 38.964 38.487 -0.098 0.000 1.227 673 N HN 0.489 nan 8.380 nan 0.000 0.508 674 R N 2.054 122.554 120.500 -0.000 0.000 2.092 674 R HA -0.117 4.223 4.340 0.000 0.000 0.231 674 R C 1.002 177.285 176.300 -0.030 0.000 1.119 674 R CA 1.340 57.427 56.100 -0.022 0.000 0.970 674 R CB 0.187 30.483 30.300 -0.006 0.000 0.864 674 R HN 0.464 nan 8.270 nan 0.000 0.440 675 E N 0.755 120.939 120.200 -0.026 0.000 2.038 675 E HA -0.159 4.191 4.350 0.000 0.000 0.195 675 E C 1.826 178.394 176.600 -0.054 0.000 1.000 675 E CA 1.223 57.598 56.400 -0.041 0.000 0.803 675 E CB 0.030 29.709 29.700 -0.035 0.000 0.750 675 E HN 0.043 nan 8.360 nan 0.000 0.448 676 K N 0.161 120.529 120.400 -0.052 0.000 2.155 676 K HA -0.038 4.282 4.320 0.000 0.000 0.203 676 K C 2.084 178.676 176.600 -0.012 0.000 1.052 676 K CA 0.380 56.637 56.287 -0.050 0.000 0.948 676 K CB -0.446 32.004 32.500 -0.083 0.000 0.728 676 K HN 0.127 nan 8.250 nan 0.000 0.448 677 L N 1.173 122.384 121.223 -0.019 0.000 2.046 677 L HA -0.127 4.213 4.340 0.000 0.000 0.208 677 L C 2.079 178.998 176.870 0.082 0.000 1.077 677 L CA 1.351 56.216 54.840 0.042 0.000 0.747 677 L CB -0.703 41.365 42.059 0.014 0.000 0.896 677 L HN 0.058 nan 8.230 nan 0.000 0.432 678 L N -0.582 120.646 121.223 0.008 0.000 2.056 678 L HA -0.200 4.140 4.340 0.000 0.000 0.207 678 L C 2.481 179.328 176.870 -0.039 0.000 1.078 678 L CA 1.730 56.560 54.840 -0.017 0.000 0.749 678 L CB -0.767 41.234 42.059 -0.096 0.000 0.901 678 L HN 0.437 nan 8.230 nan 0.000 0.433 679 Q N -1.933 117.820 119.800 -0.078 0.000 2.084 679 Q HA -0.269 4.071 4.340 0.000 0.000 0.202 679 Q C 2.145 178.187 176.000 0.070 0.000 0.978 679 Q CA 2.006 57.762 55.803 -0.078 0.000 0.844 679 Q CB -0.436 28.262 28.738 -0.067 0.000 0.898 679 Q HN 0.605 nan 8.270 nan 0.000 0.426 680 Y N 1.317 121.606 120.300 -0.019 0.000 2.145 680 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 680 Y C 1.773 177.711 175.900 0.063 0.000 1.145 680 Y CA 1.313 59.417 58.100 0.006 0.000 1.148 680 Y CB -0.287 38.164 38.460 -0.016 0.000 0.981 680 Y HN 0.016 nan 8.280 nan 0.000 0.507 681 L N -1.453 119.770 121.223 -0.000 0.000 2.046 681 L HA -0.283 4.057 4.340 0.000 0.000 0.208 681 L C 2.221 179.135 176.870 0.073 0.000 1.077 681 L CA 1.497 56.331 54.840 -0.010 0.000 0.747 681 L CB -0.921 41.179 42.059 0.068 0.000 0.896 681 L HN 0.210 nan 8.230 nan 0.000 0.432 682 Y N 0.624 120.853 120.300 -0.118 0.000 2.207 682 Y HA -0.260 4.290 4.550 0.000 0.000 0.287 682 Y C 3.093 178.883 175.900 -0.184 0.000 1.156 682 Y CA 1.413 59.421 58.100 -0.154 0.000 1.182 682 Y CB -0.739 37.643 38.460 -0.131 0.000 0.979 682 Y HN 0.294 nan 8.280 nan 0.000 0.521 683 S N -0.848 114.840 115.700 -0.020 0.000 2.547 683 S HA -0.074 4.397 4.470 0.000 0.000 0.235 683 S C 1.456 175.942 174.600 -0.191 0.000 0.980 683 S CA 0.936 59.078 58.200 -0.098 0.000 0.941 683 S CB -0.643 62.521 63.200 -0.061 0.000 0.763 683 S HN 0.481 nan 8.310 nan 0.000 0.532 684 L N -0.622 120.460 121.223 -0.235 0.000 2.701 684 L HA 0.398 4.739 4.340 0.000 0.000 0.238 684 L C 0.674 177.358 176.870 -0.311 0.000 1.106 684 L CA -0.345 54.360 54.840 -0.225 0.000 0.898 684 L CB 0.018 41.966 42.059 -0.185 0.000 1.188 684 L HN 0.068 nan 8.230 nan 0.000 0.508 685 K N 1.927 122.036 120.400 -0.484 0.000 2.379 685 K HA 0.102 4.422 4.320 0.000 0.000 0.284 685 K C -0.192 176.037 176.600 -0.618 0.000 1.044 685 K CA 0.281 56.019 56.287 -0.916 0.000 0.974 685 K CB 0.469 32.406 32.500 -0.939 0.000 0.962 685 K HN -0.083 nan 8.250 nan 0.000 0.474 686 Q N 5.243 124.660 119.800 -0.639 0.000 2.214 686 Q HA 0.239 4.580 4.340 0.000 0.000 0.251 686 Q C -1.729 174.045 176.000 -0.377 0.000 0.936 686 Q CA -2.097 53.450 55.803 -0.426 0.000 0.894 686 Q CB 0.970 29.471 28.738 -0.395 0.000 1.252 686 Q HN 0.510 nan 8.270 nan 0.000 0.448 687 P HA -0.156 nan 4.420 nan 0.000 0.222 687 P C 0.340 177.543 177.300 -0.161 0.000 1.147 687 P CA 1.226 64.207 63.100 -0.198 0.000 0.790 687 P CB 0.293 31.909 31.700 -0.141 0.000 0.780 688 D N -1.275 119.028 120.400 -0.163 0.000 2.336 688 D HA 0.087 4.727 4.640 0.000 0.000 0.229 688 D C 1.478 177.726 176.300 -0.086 0.000 1.061 688 D CA 0.579 54.535 54.000 -0.073 0.000 0.875 688 D CB -0.717 40.085 40.800 0.004 0.000 0.904 688 D HN 0.283 nan 8.370 nan 0.000 0.525 689 G N -0.078 108.587 108.800 -0.226 0.000 2.234 689 G HA2 -0.275 3.685 3.960 0.000 0.000 0.235 689 G HA3 -0.275 3.685 3.960 0.000 0.000 0.235 689 G C 0.487 175.154 174.900 -0.388 0.000 0.997 689 G CA 0.326 45.307 45.100 -0.197 0.000 0.623 689 G HN 0.810 nan 8.290 nan 0.000 0.514 690 S N -0.277 114.967 115.700 -0.761 0.000 2.655 690 S HA 0.819 5.290 4.470 0.000 0.000 0.265 690 S C -0.340 173.866 174.600 -0.656 0.000 1.240 690 S CA -0.412 57.189 58.200 -0.999 0.000 0.986 690 S CB 1.498 63.720 63.200 -1.631 0.000 0.985 690 S HN 0.555 nan 8.310 nan 0.000 0.562 691 F N -0.461 119.199 119.950 -0.484 0.000 2.563 691 F HA 0.527 5.055 4.527 0.000 0.000 0.316 691 F C -0.035 175.599 175.800 -0.277 0.000 1.076 691 F CA -1.039 56.772 58.000 -0.315 0.000 0.921 691 F CB 1.519 40.393 39.000 -0.210 0.000 1.209 691 F HN 0.451 nan 8.300 nan 0.000 0.462 692 L N 3.322 124.501 121.223 -0.072 0.000 2.418 692 L HA 0.193 4.533 4.340 0.000 0.000 0.265 692 L C 1.214 178.039 176.870 -0.076 0.000 1.143 692 L CA -0.658 54.111 54.840 -0.117 0.000 0.809 692 L CB 0.634 42.586 42.059 -0.179 0.000 1.124 692 L HN 0.668 nan 8.230 nan 0.000 0.456 693 M N 0.458 120.002 119.600 -0.093 0.000 2.349 693 M HA 0.011 4.492 4.480 0.000 0.000 0.266 693 M C 0.358 176.546 176.300 -0.186 0.000 1.076 693 M CA 1.164 56.389 55.300 -0.125 0.000 1.126 693 M CB -0.938 31.607 32.600 -0.091 0.000 1.392 693 M HN 0.776 nan 8.290 nan 0.000 0.440 694 H N -4.765 114.179 119.070 -0.209 0.000 2.967 694 H HA 0.470 5.027 4.556 0.000 0.000 0.318 694 H C -0.921 174.399 175.328 -0.014 0.000 1.375 694 H CA -1.231 54.781 56.048 -0.060 0.000 1.132 694 H CB 0.575 30.326 29.762 -0.018 0.000 1.848 694 H HN -0.254 nan 8.280 nan 0.000 0.524 695 V N 1.732 121.683 119.914 0.061 0.000 2.557 695 V HA 0.236 4.356 4.120 0.000 0.000 0.301 695 V C 1.582 177.586 176.094 -0.150 0.000 1.026 695 V CA 1.682 63.952 62.300 -0.050 0.000 1.137 695 V CB 0.107 31.938 31.823 0.013 0.000 0.917 695 V HN 1.369 nan 8.190 nan 0.000 0.484 696 G N 3.542 112.230 108.800 -0.187 0.000 2.153 696 G HA2 -0.162 3.798 3.960 0.000 0.000 0.252 696 G HA3 -0.162 3.798 3.960 0.000 0.000 0.252 696 G C 0.490 175.211 174.900 -0.299 0.000 0.994 696 G CA 0.207 45.209 45.100 -0.164 0.000 0.698 696 G HN 1.336 nan 8.290 nan 0.000 0.521 697 G N -0.711 107.735 108.800 -0.591 0.000 2.642 697 G HA2 0.674 4.634 3.960 0.000 0.000 0.291 697 G HA3 0.674 4.634 3.960 0.000 0.000 0.291 697 G C 0.244 174.997 174.900 -0.246 0.000 1.345 697 G CA 0.165 44.852 45.100 -0.688 0.000 1.043 697 G HN 0.669 nan 8.290 nan 0.000 0.528 698 E N -0.915 119.233 120.200 -0.086 0.000 2.374 698 E HA 0.340 4.690 4.350 0.000 0.000 0.260 698 E C -1.005 175.582 176.600 -0.022 0.000 1.101 698 E CA -0.366 56.027 56.400 -0.010 0.000 0.907 698 E CB 1.502 31.245 29.700 0.072 0.000 1.014 698 E HN 0.078 nan 8.360 nan 0.000 0.427 699 V N 2.111 122.017 119.914 -0.013 0.000 2.495 699 V HA 0.397 4.517 4.120 0.000 0.000 0.298 699 V C -0.690 175.432 176.094 0.047 0.000 1.031 699 V CA -0.356 61.927 62.300 -0.028 0.000 0.871 699 V CB 1.209 32.978 31.823 -0.091 0.000 0.988 699 V HN 0.943 nan 8.190 nan 0.000 0.432 700 D N 2.397 122.846 120.400 0.080 0.000 2.725 700 D HA 0.138 4.778 4.640 0.000 0.000 0.292 700 D C 0.193 176.652 176.300 0.265 0.000 1.288 700 D CA -0.603 53.499 54.000 0.171 0.000 0.784 700 D CB 1.688 42.481 40.800 -0.012 0.000 1.308 700 D HN 0.120 nan 8.370 nan 0.000 0.429 701 V N 0.529 120.644 119.914 0.335 0.000 2.828 701 V HA -0.175 3.946 4.120 0.000 0.000 0.260 701 V C 1.998 178.276 176.094 0.307 0.000 1.101 701 V CA 1.786 64.327 62.300 0.402 0.000 1.123 701 V CB -0.705 31.281 31.823 0.272 0.000 0.704 701 V HN 0.556 nan 8.190 nan 0.000 0.493 702 R N 0.531 121.216 120.500 0.309 0.000 2.105 702 R HA -0.149 4.191 4.340 0.000 0.000 0.239 702 R C 2.589 179.013 176.300 0.207 0.000 1.135 702 R CA 1.745 58.013 56.100 0.279 0.000 0.967 702 R CB -0.545 29.924 30.300 0.281 0.000 0.861 702 R HN 0.780 nan 8.270 nan 0.000 0.442 703 S N 0.650 116.441 115.700 0.151 0.000 2.368 703 S HA -0.115 4.355 4.470 0.000 0.000 0.225 703 S C 2.250 176.819 174.600 -0.052 0.000 1.030 703 S CA 0.990 59.221 58.200 0.052 0.000 0.999 703 S CB -0.233 63.001 63.200 0.056 0.000 0.844 703 S HN 0.369 nan 8.310 nan 0.000 0.459 704 A N 0.822 123.673 122.820 0.053 0.000 1.902 704 A HA -0.033 4.287 4.320 0.000 0.000 0.217 704 A C 2.110 179.693 177.584 -0.002 0.000 1.181 704 A CA 1.614 53.672 52.037 0.034 0.000 0.623 704 A CB -1.228 17.905 19.000 0.221 0.000 0.818 704 A HN 0.691 nan 8.150 nan 0.000 0.443 705 Y N 0.100 120.378 120.300 -0.036 0.000 2.163 705 Y HA -0.215 4.335 4.550 0.000 0.000 0.288 705 Y C 2.557 178.428 175.900 -0.048 0.000 1.136 705 Y CA 1.217 59.285 58.100 -0.054 0.000 1.147 705 Y CB -0.926 37.525 38.460 -0.016 0.000 0.987 705 Y HN 0.367 nan 8.280 nan 0.000 0.509 706 C N 0.600 119.760 119.300 -0.233 0.000 2.413 706 C HA -0.165 4.296 4.460 0.000 0.000 0.276 706 C C 3.083 177.979 174.990 -0.156 0.000 1.236 706 C CA 1.363 60.235 59.018 -0.244 0.000 1.735 706 C CB -1.786 25.927 27.740 -0.045 0.000 2.031 706 C HN 0.736 nan 8.230 nan 0.000 0.474 707 A N 0.432 123.128 122.820 -0.205 0.000 1.877 707 A HA 0.080 4.400 4.320 0.000 0.000 0.216 707 A C 2.377 179.973 177.584 0.021 0.000 1.186 707 A CA 2.104 54.020 52.037 -0.201 0.000 0.620 707 A CB -1.000 17.581 19.000 -0.699 0.000 0.822 707 A HN 0.579 nan 8.150 nan 0.000 0.443 708 A N -0.864 121.910 122.820 -0.077 0.000 1.933 708 A HA -0.095 4.225 4.320 0.000 0.000 0.218 708 A C 2.476 180.021 177.584 -0.065 0.000 1.175 708 A CA 2.197 54.114 52.037 -0.201 0.000 0.628 708 A CB -0.919 17.816 19.000 -0.443 0.000 0.814 708 A HN 0.565 nan 8.150 nan 0.000 0.444 709 S N -0.341 115.281 115.700 -0.129 0.000 2.348 709 S HA -0.156 4.314 4.470 0.000 0.000 0.221 709 S C 2.089 176.754 174.600 0.107 0.000 1.033 709 S CA 2.232 60.455 58.200 0.038 0.000 1.010 709 S CB -0.803 62.335 63.200 -0.104 0.000 0.891 709 S HN 1.007 nan 8.310 nan 0.000 0.442 710 V N 0.435 120.365 119.914 0.027 0.000 2.515 710 V HA 0.163 4.283 4.120 0.000 0.000 0.250 710 V C 2.476 178.555 176.094 -0.026 0.000 1.058 710 V CA 1.602 63.888 62.300 -0.022 0.000 1.064 710 V CB -1.584 30.231 31.823 -0.013 0.000 0.675 710 V HN 0.509 nan 8.190 nan 0.000 0.461 711 A N 1.734 124.584 122.820 0.050 0.000 1.898 711 A HA -0.113 4.208 4.320 0.000 0.000 0.216 711 A C 2.577 180.202 177.584 0.068 0.000 1.181 711 A CA 2.387 54.474 52.037 0.084 0.000 0.620 711 A CB -0.948 18.199 19.000 0.245 0.000 0.819 711 A HN 0.897 nan 8.150 nan 0.000 0.442 712 S N 0.070 115.827 115.700 0.096 0.000 2.371 712 S HA -0.041 4.429 4.470 0.000 0.000 0.224 712 S C 1.904 176.513 174.600 0.015 0.000 1.029 712 S CA 1.266 59.524 58.200 0.097 0.000 0.978 712 S CB -0.753 62.552 63.200 0.175 0.000 0.833 712 S HN 0.412 nan 8.310 nan 0.000 0.466 713 L N 1.974 123.159 121.223 -0.063 0.000 2.046 713 L HA -0.071 4.269 4.340 0.000 0.000 0.208 713 L C 2.923 179.670 176.870 -0.205 0.000 1.077 713 L CA 1.673 56.403 54.840 -0.182 0.000 0.747 713 L CB -1.083 40.814 42.059 -0.269 0.000 0.896 713 L HN 0.606 nan 8.230 nan 0.000 0.432 714 T N -4.082 110.239 114.554 -0.388 0.000 3.169 714 T HA 0.039 4.389 4.350 0.000 0.000 0.250 714 T C 0.829 175.341 174.700 -0.314 0.000 1.111 714 T CA 0.160 61.775 62.100 -0.809 0.000 1.010 714 T CB -0.392 67.999 68.868 -0.794 0.000 0.984 714 T HN 0.350 nan 8.240 nan 0.000 0.537 715 N N 1.281 119.930 118.700 -0.085 0.000 2.696 715 N HA -0.175 4.565 4.740 0.000 0.000 0.256 715 N C 0.227 175.749 175.510 0.021 0.000 1.031 715 N CA 0.924 53.987 53.050 0.022 0.000 0.730 715 N CB -1.873 36.663 38.487 0.082 0.000 0.894 715 N HN 0.921 nan 8.380 nan 0.000 0.544 716 I N -2.670 117.909 120.570 0.015 0.000 3.947 716 I HA 0.379 4.550 4.170 0.000 0.000 0.327 716 I C 0.068 176.216 176.117 0.051 0.000 1.519 716 I CA -0.654 60.659 61.300 0.023 0.000 1.122 716 I CB 0.096 38.087 38.000 -0.015 0.000 1.146 716 I HN 0.016 nan 8.210 nan 0.000 0.442 717 I N 3.433 124.061 120.570 0.096 0.000 2.471 717 I HA 0.147 4.317 4.170 0.000 0.000 0.286 717 I C 0.777 176.925 176.117 0.051 0.000 1.079 717 I CA 0.253 61.631 61.300 0.130 0.000 1.398 717 I CB 1.199 39.335 38.000 0.227 0.000 1.403 717 I HN 0.362 nan 8.210 nan 0.000 0.530 718 T N 3.535 118.058 114.554 -0.053 0.000 2.950 718 T HA 0.402 4.753 4.350 0.000 0.000 0.288 718 T C -1.561 173.054 174.700 -0.141 0.000 1.035 718 T CA -1.832 60.100 62.100 -0.280 0.000 1.028 718 T CB 1.838 70.403 68.868 -0.505 0.000 1.109 718 T HN 0.378 nan 8.240 nan 0.000 0.514 719 P HA -0.103 nan 4.420 nan 0.000 0.218 719 P C 0.810 178.086 177.300 -0.040 0.000 1.148 719 P CA 1.263 64.357 63.100 -0.009 0.000 0.822 719 P CB 0.103 31.838 31.700 0.059 0.000 0.784 720 D N -0.604 119.720 120.400 -0.126 0.000 2.327 720 D HA -0.062 4.578 4.640 0.000 0.000 0.205 720 D C 2.040 178.172 176.300 -0.281 0.000 0.989 720 D CA 0.028 53.932 54.000 -0.161 0.000 0.873 720 D CB -0.905 39.796 40.800 -0.164 0.000 0.955 720 D HN 0.041 nan 8.370 nan 0.000 0.515 721 L N 0.421 121.443 121.223 -0.334 0.000 2.021 721 L HA -0.129 4.211 4.340 0.000 0.000 0.215 721 L C 1.273 177.801 176.870 -0.570 0.000 1.074 721 L CA 1.741 56.243 54.840 -0.563 0.000 0.760 721 L CB -0.786 40.948 42.059 -0.542 0.000 0.889 721 L HN -0.052 nan 8.230 nan 0.000 0.433 722 F N -0.342 119.607 119.950 -0.001 0.000 2.684 722 F HA 0.258 4.785 4.527 0.000 0.000 0.298 722 F C 0.877 176.678 175.800 0.002 0.000 1.120 722 F CA -0.534 57.502 58.000 0.060 0.000 1.332 722 F CB -0.282 38.772 39.000 0.090 0.000 0.986 722 F HN 0.097 nan 8.300 nan 0.000 0.524 723 E N 0.872 121.088 120.200 0.028 0.000 2.480 723 E HA 0.201 4.552 4.350 0.000 0.000 0.258 723 E C 1.346 177.950 176.600 0.006 0.000 0.984 723 E CA 0.935 57.338 56.400 0.006 0.000 0.930 723 E CB 0.392 30.054 29.700 -0.064 0.000 0.936 723 E HN 0.604 nan 8.360 nan 0.000 0.466 724 G N 3.583 112.412 108.800 0.049 0.000 2.205 724 G HA2 -0.355 3.605 3.960 0.000 0.000 0.261 724 G HA3 -0.355 3.605 3.960 0.000 0.000 0.261 724 G C 1.031 176.009 174.900 0.130 0.000 0.980 724 G CA 0.678 45.815 45.100 0.061 0.000 0.632 724 G HN 0.624 nan 8.290 nan 0.000 0.533 725 T N 0.988 115.646 114.554 0.173 0.000 2.746 725 T HA 0.156 4.506 4.350 0.000 0.000 0.267 725 T C 2.793 177.647 174.700 0.256 0.000 1.039 725 T CA 2.419 64.680 62.100 0.268 0.000 1.142 725 T CB -0.450 68.670 68.868 0.420 0.000 0.866 725 T HN 1.202 nan 8.240 nan 0.000 0.444 726 A N 1.607 124.526 122.820 0.166 0.000 1.908 726 A HA -0.148 4.173 4.320 0.000 0.000 0.218 726 A C 2.218 179.863 177.584 0.102 0.000 1.181 726 A CA 1.741 53.843 52.037 0.108 0.000 0.627 726 A CB -0.553 18.485 19.000 0.063 0.000 0.818 726 A HN 0.427 nan 8.150 nan 0.000 0.445 727 E N -1.449 118.817 120.200 0.109 0.000 2.110 727 E HA -0.186 4.164 4.350 0.000 0.000 0.193 727 E C 1.555 178.211 176.600 0.094 0.000 0.988 727 E CA 1.221 57.669 56.400 0.079 0.000 0.804 727 E CB -0.356 29.388 29.700 0.074 0.000 0.745 727 E HN 0.844 nan 8.360 nan 0.000 0.458 728 W N 0.826 122.125 121.300 -0.001 0.000 2.381 728 W HA -0.072 4.588 4.660 0.000 0.000 0.301 728 W C 1.690 178.201 176.519 -0.013 0.000 1.205 728 W CA 1.345 58.686 57.345 -0.008 0.000 1.285 728 W CB -0.153 29.309 29.460 0.004 0.000 1.133 728 W HN -0.022 nan 8.180 nan 0.000 0.521 729 I N 0.669 121.336 120.570 0.161 0.000 2.226 729 I HA -0.319 3.851 4.170 0.000 0.000 0.245 729 I C 2.591 178.602 176.117 -0.176 0.000 1.100 729 I CA 1.456 62.743 61.300 -0.020 0.000 1.374 729 I CB -1.099 36.964 38.000 0.106 0.000 1.057 729 I HN 0.072 nan 8.210 nan 0.000 0.413 730 A N 0.821 123.577 122.820 -0.107 0.000 1.940 730 A HA -0.212 4.108 4.320 0.000 0.000 0.219 730 A C 2.349 179.821 177.584 -0.187 0.000 1.176 730 A CA 1.473 53.438 52.037 -0.121 0.000 0.631 730 A CB -0.595 18.366 19.000 -0.065 0.000 0.814 730 A HN 0.343 nan 8.150 nan 0.000 0.446 731 R N -1.237 119.110 120.500 -0.255 0.000 2.189 731 R HA -0.095 4.245 4.340 0.000 0.000 0.223 731 R C 1.756 177.835 176.300 -0.369 0.000 1.092 731 R CA 1.199 57.121 56.100 -0.296 0.000 0.989 731 R CB -0.570 29.519 30.300 -0.351 0.000 0.876 731 R HN 0.611 nan 8.270 nan 0.000 0.457 732 C N 0.309 119.331 119.300 -0.464 0.000 2.481 732 C HA 0.004 4.464 4.460 0.000 0.000 0.275 732 C C 1.339 176.139 174.990 -0.316 0.000 1.419 732 C CA -0.335 58.416 59.018 -0.444 0.000 1.773 732 C CB -0.751 26.677 27.740 -0.519 0.000 1.862 732 C HN 0.458 nan 8.230 nan 0.000 0.530 733 Q N 2.557 122.196 119.800 -0.267 0.000 2.332 733 Q HA 0.157 4.498 4.340 0.000 0.000 0.263 733 Q C 0.126 175.983 176.000 -0.239 0.000 0.979 733 Q CA 0.284 55.932 55.803 -0.259 0.000 0.885 733 Q CB 0.589 29.208 28.738 -0.199 0.000 1.218 733 Q HN 0.699 nan 8.270 nan 0.000 0.405 734 N N 3.408 121.925 118.700 -0.305 0.000 2.906 734 N HA 0.137 4.877 4.740 0.000 0.000 0.327 734 N C 0.820 176.192 175.510 -0.230 0.000 1.344 734 N CA -0.590 52.316 53.050 -0.240 0.000 0.823 734 N CB -0.409 37.899 38.487 -0.299 0.000 1.351 734 N HN 0.885 nan 8.380 nan 0.000 0.604 735 W N -0.401 120.837 121.300 -0.103 0.000 2.364 735 W HA -0.047 4.613 4.660 0.000 0.000 0.281 735 W C 0.514 177.002 176.519 -0.052 0.000 1.219 735 W CA 0.911 58.217 57.345 -0.064 0.000 1.220 735 W CB -0.938 28.497 29.460 -0.040 0.000 1.127 735 W HN 0.579 nan 8.180 nan 0.000 0.556 736 E N 0.244 119.904 120.200 -0.901 0.000 2.208 736 E HA 0.107 4.457 4.350 0.000 0.000 0.193 736 E C 2.146 178.530 176.600 -0.361 0.000 0.988 736 E CA 1.064 57.019 56.400 -0.743 0.000 0.828 736 E CB -0.379 28.699 29.700 -1.036 0.000 0.763 736 E HN 0.443 nan 8.360 nan 0.000 0.478 737 G N 0.614 109.164 108.800 -0.418 0.000 2.307 737 G HA2 -0.214 3.746 3.960 0.000 0.000 0.210 737 G HA3 -0.214 3.746 3.960 0.000 0.000 0.210 737 G C 0.595 175.213 174.900 -0.470 0.000 1.005 737 G CA -0.250 44.696 45.100 -0.256 0.000 0.634 737 G HN 0.528 nan 8.290 nan 0.000 0.496 738 G N -0.308 107.809 108.800 -1.138 0.000 2.535 738 G HA2 0.613 4.573 3.960 0.000 0.000 0.282 738 G HA3 0.613 4.573 3.960 0.000 0.000 0.282 738 G C -0.195 174.195 174.900 -0.850 0.000 1.350 738 G CA -0.407 43.774 45.100 -1.532 0.000 1.039 738 G HN 0.684 nan 8.290 nan 0.000 0.509 739 I N -0.036 120.139 120.570 -0.657 0.000 2.509 739 I HA 0.477 4.647 4.170 0.000 0.000 0.293 739 I C 0.770 176.737 176.117 -0.250 0.000 1.020 739 I CA -0.725 60.356 61.300 -0.364 0.000 1.088 739 I CB 2.181 40.050 38.000 -0.219 0.000 1.267 739 I HN 0.594 nan 8.210 nan 0.000 0.430 740 G N 2.464 111.114 108.800 -0.249 0.000 2.511 740 G HA2 0.432 4.393 3.960 0.000 0.000 0.316 740 G HA3 0.432 4.393 3.960 0.000 0.000 0.316 740 G C 0.882 175.572 174.900 -0.351 0.000 1.210 740 G CA -0.187 44.788 45.100 -0.209 0.000 0.969 740 G HN 0.790 nan 8.290 nan 0.000 0.492 741 G N -1.410 106.988 108.800 -0.671 0.000 2.422 741 G HA2 0.218 4.178 3.960 0.000 0.000 0.218 741 G HA3 0.218 4.178 3.960 0.000 0.000 0.218 741 G C 0.654 175.294 174.900 -0.433 0.000 1.146 741 G CA 1.913 46.347 45.100 -1.108 0.000 0.769 741 G HN 1.513 nan 8.290 nan 0.000 0.547 742 V N -4.927 114.796 119.914 -0.318 0.000 3.188 742 V HA 0.654 4.774 4.120 0.000 0.000 0.305 742 V C -3.049 172.867 176.094 -0.297 0.000 1.232 742 V CA -3.012 59.156 62.300 -0.219 0.000 1.043 742 V CB 1.744 33.557 31.823 -0.017 0.000 1.068 742 V HN -0.140 nan 8.190 nan 0.000 0.439 743 P HA 0.354 nan 4.420 nan 0.000 0.262 743 P C 0.977 178.183 177.300 -0.155 0.000 1.182 743 P CA 2.172 65.095 63.100 -0.294 0.000 0.761 743 P CB 0.625 32.145 31.700 -0.298 0.000 0.795 744 G N 1.992 110.718 108.800 -0.122 0.000 2.254 744 G HA2 -0.208 3.753 3.960 0.000 0.000 0.225 744 G HA3 -0.208 3.753 3.960 0.000 0.000 0.225 744 G C 0.249 175.133 174.900 -0.026 0.000 1.003 744 G CA -0.420 44.652 45.100 -0.047 0.000 0.622 744 G HN 0.398 nan 8.290 nan 0.000 0.507 745 M N 1.408 120.961 119.600 -0.079 0.000 2.247 745 M HA 0.388 4.868 4.480 0.000 0.000 0.326 745 M C 0.774 177.034 176.300 -0.067 0.000 1.134 745 M CA -0.712 54.553 55.300 -0.059 0.000 1.136 745 M CB 0.771 33.311 32.600 -0.101 0.000 1.454 745 M HN 0.403 nan 8.290 nan 0.000 0.467 746 E N 1.102 121.297 120.200 -0.009 0.000 2.442 746 E HA 0.219 4.569 4.350 0.000 0.000 0.262 746 E C -0.624 175.927 176.600 -0.081 0.000 1.004 746 E CA -0.352 56.034 56.400 -0.023 0.000 0.928 746 E CB 0.697 30.440 29.700 0.072 0.000 0.937 746 E HN 0.686 nan 8.360 nan 0.000 0.446 747 A N 5.001 127.671 122.820 -0.249 0.000 2.520 747 A HA 0.031 4.351 4.320 0.000 0.000 0.245 747 A C -0.426 177.163 177.584 0.008 0.000 1.072 747 A CA 0.221 52.014 52.037 -0.407 0.000 0.761 747 A CB 0.226 18.613 19.000 -1.021 0.000 1.004 747 A HN 0.694 nan 8.150 nan 0.000 0.499 748 H N 1.926 120.975 119.070 -0.034 0.000 2.759 748 H HA 0.382 4.938 4.556 0.000 0.000 0.354 748 H C 1.157 176.628 175.328 0.238 0.000 1.074 748 H CA 0.112 56.267 56.048 0.179 0.000 1.226 748 H CB 1.588 31.492 29.762 0.236 0.000 1.648 748 H HN 0.651 nan 8.280 nan 0.000 0.529 749 G N 2.822 111.734 108.800 0.186 0.000 2.469 749 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 749 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 749 G C 1.491 176.591 174.900 0.333 0.000 1.150 749 G CA 0.898 46.179 45.100 0.301 0.000 0.763 749 G HN 0.680 nan 8.290 nan 0.000 0.561 750 G N -0.171 108.802 108.800 0.289 0.000 2.421 750 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 750 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 750 G C 1.626 176.387 174.900 -0.232 0.000 1.171 750 G CA 0.859 45.749 45.100 -0.350 0.000 0.775 750 G HN 0.522 nan 8.290 nan 0.000 0.543 751 Y N 0.913 121.239 120.300 0.043 0.000 2.352 751 Y HA -0.069 4.481 4.550 0.000 0.000 0.292 751 Y C 3.290 179.180 175.900 -0.017 0.000 1.136 751 Y CA 1.162 59.235 58.100 -0.045 0.000 1.227 751 Y CB -0.129 38.270 38.460 -0.101 0.000 0.991 751 Y HN 0.123 nan 8.280 nan 0.000 0.545 752 T N 0.237 114.896 114.554 0.175 0.000 2.812 752 T HA -0.189 4.161 4.350 0.000 0.000 0.264 752 T C 1.536 176.273 174.700 0.062 0.000 1.042 752 T CA 1.209 63.351 62.100 0.070 0.000 1.140 752 T CB -0.570 68.353 68.868 0.092 0.000 0.870 752 T HN 0.332 nan 8.240 nan 0.000 0.445 753 F N 1.520 121.488 119.950 0.031 0.000 2.102 753 F HA -0.163 4.364 4.527 0.000 0.000 0.298 753 F C 2.431 178.144 175.800 -0.145 0.000 1.105 753 F CA 0.718 58.714 58.000 -0.008 0.000 1.239 753 F CB -0.781 38.326 39.000 0.179 0.000 0.991 753 F HN 0.149 nan 8.300 nan 0.000 0.474 754 C N 0.773 120.000 119.300 -0.121 0.000 2.413 754 C HA -0.137 4.323 4.460 0.000 0.000 0.276 754 C C 3.111 177.999 174.990 -0.171 0.000 1.236 754 C CA 1.360 60.225 59.018 -0.255 0.000 1.735 754 C CB -1.937 25.837 27.740 0.057 0.000 2.031 754 C HN 0.738 nan 8.230 nan 0.000 0.474 755 G N -0.028 108.727 108.800 -0.074 0.000 2.433 755 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 755 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 755 G C 1.504 176.335 174.900 -0.116 0.000 1.186 755 G CA 1.016 46.087 45.100 -0.049 0.000 0.779 755 G HN 0.449 nan 8.290 nan 0.000 0.543 756 L N 1.340 122.452 121.223 -0.185 0.000 2.056 756 L HA 0.236 4.576 4.340 0.000 0.000 0.207 756 L C 3.054 179.772 176.870 -0.253 0.000 1.078 756 L CA 2.041 56.767 54.840 -0.189 0.000 0.749 756 L CB -0.756 41.200 42.059 -0.170 0.000 0.901 756 L HN 0.238 nan 8.230 nan 0.000 0.433 757 A N -0.460 122.075 122.820 -0.475 0.000 1.902 757 A HA -0.110 4.210 4.320 0.000 0.000 0.217 757 A C 2.450 179.948 177.584 -0.142 0.000 1.181 757 A CA 1.812 53.583 52.037 -0.444 0.000 0.623 757 A CB -1.136 17.305 19.000 -0.932 0.000 0.818 757 A HN 0.562 nan 8.150 nan 0.000 0.443 758 A N -0.281 122.506 122.820 -0.056 0.000 1.902 758 A HA -0.032 4.288 4.320 0.000 0.000 0.217 758 A C 2.156 179.686 177.584 -0.090 0.000 1.181 758 A CA 1.474 53.506 52.037 -0.008 0.000 0.623 758 A CB -0.602 18.422 19.000 0.039 0.000 0.818 758 A HN 0.469 nan 8.150 nan 0.000 0.443 759 L N -0.525 120.653 121.223 -0.075 0.000 2.131 759 L HA -0.145 4.195 4.340 0.000 0.000 0.210 759 L C 2.474 179.309 176.870 -0.058 0.000 1.092 759 L CA 0.811 55.614 54.840 -0.061 0.000 0.759 759 L CB -0.452 41.580 42.059 -0.045 0.000 0.903 759 L HN 0.247 nan 8.230 nan 0.000 0.435 760 V N 0.136 120.010 119.914 -0.066 0.000 2.358 760 V HA -0.279 3.841 4.120 0.000 0.000 0.246 760 V C 2.284 178.362 176.094 -0.026 0.000 1.047 760 V CA 1.706 63.983 62.300 -0.037 0.000 1.035 760 V CB -0.242 31.556 31.823 -0.042 0.000 0.658 760 V HN 0.326 nan 8.190 nan 0.000 0.452 761 I N -0.409 120.125 120.570 -0.060 0.000 2.286 761 I HA -0.221 3.949 4.170 0.000 0.000 0.248 761 I C 2.004 178.081 176.117 -0.066 0.000 1.115 761 I CA 1.535 62.803 61.300 -0.054 0.000 1.392 761 I CB -0.183 37.755 38.000 -0.103 0.000 1.065 761 I HN 0.256 nan 8.210 nan 0.000 0.418 762 L N 0.256 121.412 121.223 -0.110 0.000 2.599 762 L HA 0.015 4.355 4.340 0.000 0.000 0.230 762 L C 0.564 177.422 176.870 -0.021 0.000 1.141 762 L CA 0.272 55.056 54.840 -0.094 0.000 0.877 762 L CB -0.358 41.621 42.059 -0.133 0.000 1.009 762 L HN 0.209 nan 8.230 nan 0.000 0.447 763 K N 0.820 121.215 120.400 -0.008 0.000 3.096 763 K HA -0.170 4.150 4.320 0.000 0.000 0.266 763 K C 0.112 176.719 176.600 0.011 0.000 1.043 763 K CA 0.219 56.514 56.287 0.013 0.000 0.758 763 K CB -0.732 31.786 32.500 0.030 0.000 1.260 763 K HN 0.211 nan 8.250 nan 0.000 0.481 764 R N -0.116 120.384 120.500 -0.000 0.000 2.642 764 R HA 0.064 4.404 4.340 0.000 0.000 0.435 764 R C 0.426 176.725 176.300 -0.003 0.000 1.046 764 R CA -0.033 56.069 56.100 0.004 0.000 1.103 764 R CB 0.472 30.777 30.300 0.008 0.000 1.425 764 R HN 0.259 nan 8.270 nan 0.000 0.586 765 E N 0.668 120.865 120.200 -0.005 0.000 2.160 765 E HA -0.106 4.244 4.350 0.000 0.000 0.195 765 E C 1.489 178.086 176.600 -0.005 0.000 0.991 765 E CA 1.026 57.421 56.400 -0.009 0.000 0.810 765 E CB -0.018 29.680 29.700 -0.002 0.000 0.742 765 E HN 0.122 nan 8.360 nan 0.000 0.466 766 R N 0.290 120.791 120.500 0.002 0.000 2.341 766 R HA 0.024 4.364 4.340 0.000 0.000 0.213 766 R C 1.680 177.979 176.300 -0.002 0.000 1.082 766 R CA 0.663 56.764 56.100 0.003 0.000 1.017 766 R CB -0.086 30.218 30.300 0.007 0.000 0.860 766 R HN 0.078 nan 8.270 nan 0.000 0.473 767 S N 0.570 116.267 115.700 -0.004 0.000 2.474 767 S HA 0.024 4.494 4.470 0.000 0.000 0.235 767 S C 0.897 175.485 174.600 -0.020 0.000 0.997 767 S CA 0.619 58.814 58.200 -0.008 0.000 0.949 767 S CB 0.070 63.267 63.200 -0.004 0.000 0.766 767 S HN 0.163 nan 8.310 nan 0.000 0.517 768 L N 1.503 122.712 121.223 -0.024 0.000 2.358 768 L HA 0.414 4.754 4.340 0.000 0.000 0.268 768 L C 0.412 177.269 176.870 -0.022 0.000 1.032 768 L CA -0.859 53.960 54.840 -0.035 0.000 0.805 768 L CB 0.365 42.398 42.059 -0.044 0.000 1.253 768 L HN -0.013 nan 8.230 nan 0.000 0.452 769 N N 1.495 120.179 118.700 -0.026 0.000 2.482 769 N HA 0.168 4.908 4.740 0.000 0.000 0.242 769 N C 0.537 176.047 175.510 0.000 0.000 1.100 769 N CA 0.027 53.072 53.050 -0.009 0.000 0.946 769 N CB 0.717 39.197 38.487 -0.011 0.000 1.227 769 N HN 0.580 nan 8.380 nan 0.000 0.508 770 L N 2.534 123.764 121.223 0.012 0.000 2.201 770 L HA -0.097 4.243 4.340 0.000 0.000 0.212 770 L C 2.351 179.249 176.870 0.047 0.000 1.105 770 L CA 0.815 55.671 54.840 0.028 0.000 0.775 770 L CB -0.178 41.900 42.059 0.031 0.000 0.913 770 L HN 0.535 nan 8.230 nan 0.000 0.440 771 K N 0.745 121.171 120.400 0.043 0.000 2.002 771 K HA -0.191 4.129 4.320 0.000 0.000 0.209 771 K C 2.363 179.003 176.600 0.067 0.000 1.048 771 K CA 1.911 58.231 56.287 0.055 0.000 0.930 771 K CB -0.037 32.490 32.500 0.045 0.000 0.714 771 K HN 0.328 nan 8.250 nan 0.000 0.438 772 S N 0.884 116.616 115.700 0.054 0.000 2.402 772 S HA -0.134 4.336 4.470 0.000 0.000 0.229 772 S C 1.979 176.636 174.600 0.096 0.000 1.021 772 S CA 0.825 59.064 58.200 0.065 0.000 0.974 772 S CB -0.357 62.861 63.200 0.030 0.000 0.800 772 S HN 0.334 nan 8.310 nan 0.000 0.484 773 L N 1.140 122.406 121.223 0.073 0.000 2.027 773 L HA 0.197 4.537 4.340 0.000 0.000 0.206 773 L C 2.230 179.222 176.870 0.202 0.000 1.074 773 L CA 1.460 56.368 54.840 0.113 0.000 0.745 773 L CB -1.072 41.016 42.059 0.049 0.000 0.898 773 L HN 0.395 nan 8.230 nan 0.000 0.433 774 L N -0.331 120.979 121.223 0.146 0.000 2.017 774 L HA -0.240 4.100 4.340 0.000 0.000 0.208 774 L C 2.578 179.542 176.870 0.156 0.000 1.073 774 L CA 2.195 57.125 54.840 0.150 0.000 0.745 774 L CB -0.829 41.305 42.059 0.124 0.000 0.894 774 L HN 0.557 nan 8.230 nan 0.000 0.432 775 Q N -1.877 118.010 119.800 0.146 0.000 2.119 775 Q HA -0.265 4.075 4.340 0.000 0.000 0.201 775 Q C 2.064 178.151 176.000 0.146 0.000 0.972 775 Q CA 2.044 57.924 55.803 0.128 0.000 0.847 775 Q CB -0.460 28.345 28.738 0.112 0.000 0.903 775 Q HN 0.669 nan 8.270 nan 0.000 0.433 776 W N -0.393 120.910 121.300 0.006 0.000 2.378 776 W HA -0.189 4.471 4.660 0.000 0.000 0.313 776 W C 1.972 178.497 176.519 0.010 0.000 1.197 776 W CA 1.557 58.891 57.345 -0.019 0.000 1.304 776 W CB -0.640 28.781 29.460 -0.065 0.000 1.148 776 W HN 0.044 nan 8.180 nan 0.000 0.494 777 V N 1.393 121.361 119.914 0.091 0.000 2.343 777 V HA -0.279 3.841 4.120 0.000 0.000 0.247 777 V C 2.437 178.492 176.094 -0.065 0.000 1.051 777 V CA 3.237 65.443 62.300 -0.157 0.000 1.036 777 V CB -1.146 30.739 31.823 0.102 0.000 0.654 777 V HN 0.468 nan 8.190 nan 0.000 0.451 778 T N -2.940 111.641 114.554 0.045 0.000 2.881 778 T HA -0.144 4.206 4.350 0.000 0.000 0.270 778 T C 1.862 176.549 174.700 -0.022 0.000 1.068 778 T CA 1.724 63.882 62.100 0.095 0.000 1.131 778 T CB -0.565 68.374 68.868 0.120 0.000 0.871 778 T HN 0.458 nan 8.240 nan 0.000 0.479 779 S N 0.954 116.586 115.700 -0.114 0.000 2.515 779 S HA 0.098 4.569 4.470 0.000 0.000 0.231 779 S C 1.922 176.364 174.600 -0.262 0.000 0.987 779 S CA 0.077 58.178 58.200 -0.164 0.000 0.936 779 S CB -0.171 62.938 63.200 -0.153 0.000 0.766 779 S HN 0.413 nan 8.310 nan 0.000 0.528 780 R N 1.226 121.525 120.500 -0.336 0.000 2.299 780 R HA 0.158 4.499 4.340 0.000 0.000 0.197 780 R C 0.834 176.942 176.300 -0.320 0.000 0.971 780 R CA 0.073 55.972 56.100 -0.335 0.000 1.030 780 R CB -0.322 29.716 30.300 -0.436 0.000 0.932 780 R HN 0.505 nan 8.270 nan 0.000 0.477 781 Q N 1.123 120.604 119.800 -0.531 0.000 2.288 781 Q HA 0.140 4.480 4.340 0.000 0.000 0.258 781 Q C -0.483 175.238 176.000 -0.464 0.000 0.957 781 Q CA -0.261 54.943 55.803 -0.999 0.000 0.919 781 Q CB 0.756 28.881 28.738 -1.023 0.000 1.185 781 Q HN -0.143 nan 8.270 nan 0.000 0.408 782 M N 4.531 123.893 119.600 -0.397 0.000 2.184 782 M HA 0.077 4.557 4.480 0.000 0.000 0.351 782 M C 1.119 177.358 176.300 -0.101 0.000 1.395 782 M CA 0.479 55.661 55.300 -0.197 0.000 1.117 782 M CB 0.400 32.900 32.600 -0.166 0.000 1.708 782 M HN 0.713 nan 8.290 nan 0.000 0.468 783 R N 1.517 121.993 120.500 -0.040 0.000 2.127 783 R HA -0.176 4.164 4.340 0.000 0.000 0.238 783 R C 1.447 177.787 176.300 0.066 0.000 1.134 783 R CA 1.638 57.747 56.100 0.016 0.000 0.975 783 R CB -0.472 29.832 30.300 0.006 0.000 0.865 783 R HN 0.538 nan 8.270 nan 0.000 0.447 784 F N 1.759 121.685 119.950 -0.040 0.000 2.188 784 F HA 0.146 4.673 4.527 0.000 0.000 0.289 784 F C 1.782 177.773 175.800 0.319 0.000 1.082 784 F CA 1.045 59.057 58.000 0.020 0.000 1.282 784 F CB 0.141 39.129 39.000 -0.019 0.000 1.060 784 F HN -0.113 nan 8.300 nan 0.000 0.493 785 E N 0.058 120.350 120.200 0.155 0.000 2.106 785 E HA 0.077 4.428 4.350 0.000 0.000 0.192 785 E C 1.869 178.538 176.600 0.115 0.000 0.984 785 E CA 1.334 57.792 56.400 0.096 0.000 0.806 785 E CB -0.574 29.070 29.700 -0.093 0.000 0.750 785 E HN 0.588 nan 8.360 nan 0.000 0.458 786 G N -0.303 108.485 108.800 -0.020 0.000 2.268 786 G HA2 -0.242 3.718 3.960 0.000 0.000 0.240 786 G HA3 -0.242 3.718 3.960 0.000 0.000 0.240 786 G C 0.662 175.477 174.900 -0.142 0.000 1.010 786 G CA 0.016 45.101 45.100 -0.025 0.000 0.618 786 G HN 0.630 nan 8.290 nan 0.000 0.516 787 G N -0.640 107.922 108.800 -0.396 0.000 2.525 787 G HA2 0.614 4.574 3.960 0.000 0.000 0.287 787 G HA3 0.614 4.574 3.960 0.000 0.000 0.287 787 G C -0.499 174.186 174.900 -0.358 0.000 1.350 787 G CA -0.698 44.163 45.100 -0.397 0.000 1.039 787 G HN 0.303 nan 8.290 nan 0.000 0.513 788 F N -0.614 119.241 119.950 -0.158 0.000 2.507 788 F HA 0.423 4.951 4.527 0.000 0.000 0.327 788 F C 0.661 176.392 175.800 -0.115 0.000 1.068 788 F CA -0.660 57.262 58.000 -0.131 0.000 0.965 788 F CB 2.177 41.119 39.000 -0.095 0.000 1.192 788 F HN 0.516 nan 8.300 nan 0.000 0.476 789 Q N 0.415 120.189 119.800 -0.043 0.000 2.248 789 Q HA 0.613 4.953 4.340 0.000 0.000 0.263 789 Q C 0.328 176.007 176.000 -0.535 0.000 1.007 789 Q CA -0.671 55.016 55.803 -0.194 0.000 0.877 789 Q CB 1.851 30.477 28.738 -0.186 0.000 1.315 789 Q HN 0.819 nan 8.270 nan 0.000 0.454 790 G N 0.938 109.152 108.800 -0.977 0.000 2.603 790 G HA2 0.092 4.053 3.960 0.000 0.000 0.214 790 G HA3 0.092 4.053 3.960 0.000 0.000 0.214 790 G C 0.274 174.788 174.900 -0.643 0.000 1.140 790 G CA -0.069 44.139 45.100 -1.488 0.000 0.800 790 G HN 0.449 nan 8.290 nan 0.000 0.533 791 R N -1.685 118.597 120.500 -0.362 0.000 2.774 791 R HA 0.362 4.702 4.340 0.000 0.000 0.272 791 R C -1.146 175.104 176.300 -0.083 0.000 1.000 791 R CA -0.831 55.212 56.100 -0.095 0.000 0.906 791 R CB 1.475 31.759 30.300 -0.027 0.000 1.227 791 R HN 0.073 nan 8.270 nan 0.000 0.468 792 C N 2.348 121.651 119.300 0.005 0.000 2.611 792 C HA 0.026 4.486 4.460 0.000 0.000 0.416 792 C C 0.837 175.826 174.990 -0.002 0.000 1.366 792 C CA 0.643 59.651 59.018 -0.018 0.000 1.761 792 C CB -0.934 26.839 27.740 0.054 0.000 2.619 792 C HN 0.952 nan 8.230 nan 0.000 0.606 793 N N 2.316 121.003 118.700 -0.022 0.000 2.741 793 N HA -0.145 4.596 4.740 0.000 0.000 0.251 793 N C -0.550 174.954 175.510 -0.009 0.000 1.112 793 N CA 1.339 54.384 53.050 -0.007 0.000 0.750 793 N CB -0.752 37.749 38.487 0.022 0.000 1.119 793 N HN 0.807 nan 8.380 nan 0.000 0.561 794 K N -0.191 120.189 120.400 -0.033 0.000 2.313 794 K HA 0.543 4.864 4.320 0.000 0.000 0.235 794 K C 0.538 177.119 176.600 -0.031 0.000 1.035 794 K CA -0.830 55.443 56.287 -0.023 0.000 0.868 794 K CB 1.321 33.804 32.500 -0.028 0.000 1.232 794 K HN -0.064 nan 8.250 nan 0.000 0.459 795 L N 1.145 122.367 121.223 -0.001 0.000 2.453 795 L HA 0.186 4.526 4.340 0.000 0.000 0.261 795 L C 0.599 177.479 176.870 0.017 0.000 1.179 795 L CA -0.569 54.277 54.840 0.009 0.000 0.813 795 L CB 0.663 42.743 42.059 0.036 0.000 1.110 795 L HN 0.305 nan 8.230 nan 0.000 0.466 796 V N 1.559 121.471 119.914 -0.003 0.000 2.963 796 V HA 0.081 4.202 4.120 0.000 0.000 0.306 796 V C -0.360 175.802 176.094 0.114 0.000 1.077 796 V CA 0.425 62.711 62.300 -0.024 0.000 1.124 796 V CB 1.334 33.038 31.823 -0.198 0.000 0.987 796 V HN 0.867 nan 8.190 nan 0.000 0.487 797 D N 3.081 123.615 120.400 0.223 0.000 2.861 797 D HA 0.339 4.979 4.640 0.000 0.000 0.216 797 D C 0.732 177.249 176.300 0.362 0.000 1.323 797 D CA 0.197 54.391 54.000 0.325 0.000 0.917 797 D CB 1.757 42.813 40.800 0.427 0.000 1.582 797 D HN 0.600 nan 8.370 nan 0.000 0.576 798 G N 1.869 110.897 108.800 0.380 0.000 2.475 798 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 798 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 798 G C 1.737 176.756 174.900 0.200 0.000 1.125 798 G CA 1.364 46.679 45.100 0.358 0.000 0.755 798 G HN 0.734 nan 8.290 nan 0.000 0.565 799 C N -1.609 117.762 119.300 0.118 0.000 2.432 799 C HA 0.157 4.617 4.460 0.000 0.000 0.282 799 C C 2.288 177.174 174.990 -0.172 0.000 1.388 799 C CA 0.080 58.977 59.018 -0.201 0.000 1.777 799 C CB -1.543 25.853 27.740 -0.574 0.000 1.882 799 C HN 0.430 nan 8.230 nan 0.000 0.520 800 Y N 2.066 122.469 120.300 0.171 0.000 2.632 800 Y HA -0.011 4.540 4.550 0.000 0.000 0.301 800 Y C 2.701 178.572 175.900 -0.048 0.000 1.172 800 Y CA 0.834 59.018 58.100 0.140 0.000 1.328 800 Y CB -0.298 38.245 38.460 0.138 0.000 1.016 800 Y HN 0.335 nan 8.280 nan 0.000 0.529 801 S N -0.117 115.649 115.700 0.109 0.000 2.399 801 S HA -0.193 4.278 4.470 0.000 0.000 0.231 801 S C 1.599 176.104 174.600 -0.158 0.000 1.022 801 S CA 1.353 59.573 58.200 0.034 0.000 0.983 801 S CB -0.336 62.949 63.200 0.142 0.000 0.803 801 S HN 0.573 nan 8.310 nan 0.000 0.480 802 F N 0.326 120.122 119.950 -0.257 0.000 2.243 802 F HA 0.181 4.708 4.527 0.000 0.000 0.287 802 F C 1.645 177.226 175.800 -0.366 0.000 1.067 802 F CA 0.217 58.004 58.000 -0.356 0.000 1.304 802 F CB -0.672 38.086 39.000 -0.403 0.000 1.087 802 F HN 0.157 nan 8.300 nan 0.000 0.513 803 W N 1.061 122.204 121.300 -0.261 0.000 2.321 803 W HA -0.241 4.419 4.660 0.000 0.000 0.306 803 W C 2.407 178.761 176.519 -0.275 0.000 1.217 803 W CA 1.118 58.285 57.345 -0.296 0.000 1.257 803 W CB -0.467 29.014 29.460 0.035 0.000 1.145 803 W HN 0.097 nan 8.180 nan 0.000 0.509 804 Q N -0.284 119.426 119.800 -0.151 0.000 2.084 804 Q HA 0.023 4.363 4.340 0.000 0.000 0.194 804 Q C 2.475 177.986 176.000 -0.814 0.000 0.969 804 Q CA 1.430 56.967 55.803 -0.444 0.000 0.829 804 Q CB -1.275 27.074 28.738 -0.649 0.000 0.904 804 Q HN 0.289 nan 8.270 nan 0.000 0.464 805 A N 1.185 123.247 122.820 -1.263 0.000 1.972 805 A HA -0.086 4.234 4.320 0.000 0.000 0.219 805 A C 2.247 179.378 177.584 -0.755 0.000 1.169 805 A CA 1.710 52.981 52.037 -1.277 0.000 0.635 805 A CB -1.037 17.163 19.000 -1.333 0.000 0.810 805 A HN 0.452 nan 8.150 nan 0.000 0.446 806 G N -0.355 108.021 108.800 -0.708 0.000 2.470 806 G HA2 -0.108 3.852 3.960 0.000 0.000 0.220 806 G HA3 -0.108 3.852 3.960 0.000 0.000 0.220 806 G C 1.410 176.153 174.900 -0.262 0.000 1.121 806 G CA 0.898 45.644 45.100 -0.590 0.000 0.766 806 G HN 0.473 nan 8.290 nan 0.000 0.553 807 L N 0.042 121.146 121.223 -0.199 0.000 2.217 807 L HA 0.016 4.357 4.340 0.000 0.000 0.211 807 L C 2.591 179.411 176.870 -0.084 0.000 1.107 807 L CA 0.003 54.797 54.840 -0.077 0.000 0.783 807 L CB -0.245 41.811 42.059 -0.006 0.000 0.919 807 L HN 0.110 nan 8.230 nan 0.000 0.442 808 L N 0.059 121.204 121.223 -0.131 0.000 2.046 808 L HA -0.105 4.235 4.340 0.000 0.000 0.208 808 L C 0.059 176.864 176.870 -0.108 0.000 1.077 808 L CA 2.132 56.976 54.840 0.006 0.000 0.747 808 L CB -2.497 39.705 42.059 0.237 0.000 0.896 808 L HN 0.174 nan 8.230 nan 0.000 0.432 809 P HA -0.093 nan 4.420 nan 0.000 0.219 809 P C 2.222 179.439 177.300 -0.138 0.000 1.150 809 P CA 0.963 63.635 63.100 -0.713 0.000 0.814 809 P CB 0.136 31.236 31.700 -0.999 0.000 0.787 810 L N -1.576 119.585 121.223 -0.103 0.000 2.056 810 L HA -0.137 4.203 4.340 0.000 0.000 0.207 810 L C 2.373 179.270 176.870 0.044 0.000 1.078 810 L CA 1.300 56.125 54.840 -0.024 0.000 0.749 810 L CB -0.936 41.081 42.059 -0.071 0.000 0.901 810 L HN -0.029 nan 8.230 nan 0.000 0.433 811 L N -1.095 120.167 121.223 0.066 0.000 2.093 811 L HA -0.228 4.112 4.340 0.000 0.000 0.208 811 L C 2.621 179.594 176.870 0.172 0.000 1.085 811 L CA 1.040 55.945 54.840 0.108 0.000 0.755 811 L CB -0.577 41.554 42.059 0.120 0.000 0.904 811 L HN 0.298 nan 8.230 nan 0.000 0.435 812 H N 0.159 119.333 119.070 0.172 0.000 2.321 812 H HA -0.232 4.324 4.556 0.000 0.000 0.300 812 H C 2.387 177.853 175.328 0.230 0.000 1.087 812 H CA 2.036 58.247 56.048 0.271 0.000 1.319 812 H CB 0.147 30.197 29.762 0.480 0.000 1.379 812 H HN 0.017 nan 8.280 nan 0.000 0.501 813 R N 0.708 121.385 120.500 0.296 0.000 2.083 813 R HA -0.060 4.280 4.340 0.000 0.000 0.237 813 R C 2.353 178.747 176.300 0.156 0.000 1.137 813 R CA 1.684 57.920 56.100 0.226 0.000 0.951 813 R CB -0.989 29.412 30.300 0.168 0.000 0.851 813 R HN 0.407 nan 8.270 nan 0.000 0.434 814 A N 0.526 123.410 122.820 0.107 0.000 1.877 814 A HA -0.093 4.227 4.320 0.000 0.000 0.216 814 A C 2.293 179.910 177.584 0.056 0.000 1.186 814 A CA 1.647 53.725 52.037 0.069 0.000 0.620 814 A CB -0.652 18.377 19.000 0.048 0.000 0.822 814 A HN 0.372 nan 8.150 nan 0.000 0.443 815 L N -1.724 119.531 121.223 0.053 0.000 2.141 815 L HA -0.152 4.188 4.340 0.000 0.000 0.209 815 L C 2.605 179.490 176.870 0.025 0.000 1.094 815 L CA 1.552 56.410 54.840 0.029 0.000 0.763 815 L CB -0.620 41.453 42.059 0.024 0.000 0.908 815 L HN 0.624 nan 8.230 nan 0.000 0.437 816 H N 0.378 119.401 119.070 -0.078 0.000 2.423 816 H HA -0.082 4.474 4.556 0.000 0.000 0.297 816 H C 2.103 177.429 175.328 -0.003 0.000 1.075 816 H CA 1.270 57.282 56.048 -0.061 0.000 1.342 816 H CB 0.174 29.901 29.762 -0.059 0.000 1.395 816 H HN 0.254 nan 8.280 nan 0.000 0.530 817 A N 0.035 122.836 122.820 -0.031 0.000 2.067 817 A HA -0.127 4.193 4.320 0.000 0.000 0.219 817 A C 2.091 179.627 177.584 -0.079 0.000 1.158 817 A CA 1.427 53.423 52.037 -0.068 0.000 0.661 817 A CB -0.256 18.754 19.000 0.017 0.000 0.801 817 A HN 0.631 nan 8.150 nan 0.000 0.452 818 Q N -1.692 118.075 119.800 -0.054 0.000 2.425 818 Q HA 0.253 4.593 4.340 0.000 0.000 0.204 818 Q C 0.944 176.911 176.000 -0.054 0.000 0.933 818 Q CA 0.340 56.120 55.803 -0.038 0.000 0.939 818 Q CB 0.204 28.935 28.738 -0.011 0.000 1.044 818 Q HN 0.843 nan 8.270 nan 0.000 0.513 819 G N 1.977 110.717 108.800 -0.100 0.000 2.149 819 G HA2 -0.225 3.735 3.960 0.000 0.000 0.235 819 G HA3 -0.225 3.735 3.960 0.000 0.000 0.235 819 G C -0.408 174.473 174.900 -0.032 0.000 1.018 819 G CA 0.081 45.128 45.100 -0.088 0.000 0.728 819 G HN 0.350 nan 8.290 nan 0.000 0.508 820 D N 0.925 121.317 120.400 -0.014 0.000 2.426 820 D HA 0.180 4.820 4.640 0.000 0.000 0.261 820 D C 0.169 176.488 176.300 0.032 0.000 1.245 820 D CA -0.695 53.313 54.000 0.014 0.000 0.917 820 D CB 1.085 41.897 40.800 0.019 0.000 1.123 820 D HN 0.281 nan 8.370 nan 0.000 0.508 821 P HA 0.010 nan 4.420 nan 0.000 0.237 821 P C 0.568 177.892 177.300 0.040 0.000 1.178 821 P CA 0.225 63.346 63.100 0.035 0.000 0.766 821 P CB 0.408 32.122 31.700 0.024 0.000 0.876 822 A N -0.402 122.442 122.820 0.040 0.000 2.267 822 A HA 0.204 4.524 4.320 0.000 0.000 0.213 822 A C 1.160 178.777 177.584 0.054 0.000 1.192 822 A CA -0.229 51.832 52.037 0.040 0.000 0.851 822 A CB -0.629 18.393 19.000 0.035 0.000 0.881 822 A HN 0.124 nan 8.150 nan 0.000 0.494 823 L N 1.023 122.287 121.223 0.068 0.000 2.485 823 L HA 0.073 4.413 4.340 0.000 0.000 0.275 823 L C 1.116 178.065 176.870 0.131 0.000 1.207 823 L CA -0.203 54.698 54.840 0.101 0.000 0.855 823 L CB 0.827 42.907 42.059 0.036 0.000 1.114 823 L HN 0.311 nan 8.230 nan 0.000 0.485 824 S N 2.853 118.647 115.700 0.156 0.000 2.579 824 S HA 0.207 4.678 4.470 0.000 0.000 0.275 824 S C 0.655 175.283 174.600 0.046 0.000 1.345 824 S CA -0.331 57.887 58.200 0.029 0.000 1.031 824 S CB 0.583 63.734 63.200 -0.081 0.000 0.892 824 S HN 0.618 nan 8.310 nan 0.000 0.529 825 M N 3.158 122.689 119.600 -0.115 0.000 2.405 825 M HA 0.145 4.625 4.480 0.000 0.000 0.292 825 M C 0.802 176.857 176.300 -0.409 0.000 1.111 825 M CA -0.142 55.122 55.300 -0.059 0.000 0.979 825 M CB 0.365 32.964 32.600 -0.001 0.000 1.426 825 M HN 0.808 nan 8.290 nan 0.000 0.509 826 S N -2.482 112.596 115.700 -1.037 0.000 2.560 826 S HA 0.221 4.691 4.470 0.000 0.000 0.281 826 S C 0.083 173.497 174.600 -1.977 0.000 1.075 826 S CA -0.427 56.947 58.200 -1.376 0.000 1.295 826 S CB 0.429 63.042 63.200 -0.978 0.000 1.156 826 S HN 0.438 nan 8.310 nan 0.000 0.627 827 H N -0.918 117.215 119.070 -1.561 0.000 2.895 827 H HA 0.597 5.153 4.556 0.000 0.000 0.373 827 H C -1.366 173.582 175.328 -0.632 0.000 1.174 827 H CA -0.761 54.685 56.048 -1.002 0.000 1.144 827 H CB 0.779 30.223 29.762 -0.530 0.000 1.793 827 H HN 0.305 nan 8.280 nan 0.000 0.551 828 W N 1.747 123.026 121.300 -0.035 0.000 2.183 828 W HA 0.253 4.914 4.660 0.000 0.000 0.348 828 W C 0.506 177.043 176.519 0.031 0.000 1.257 828 W CA -0.708 56.699 57.345 0.103 0.000 1.324 828 W CB 0.611 30.146 29.460 0.126 0.000 1.144 828 W HN 0.345 nan 8.180 nan 0.000 0.622 829 M N 3.523 123.412 119.600 0.481 0.000 3.607 829 M HA 0.172 4.653 4.480 0.000 0.000 0.206 829 M C -1.112 175.421 176.300 0.388 0.000 1.314 829 M CA 0.205 55.696 55.300 0.318 0.000 1.526 829 M CB -1.005 31.769 32.600 0.291 0.000 1.101 829 M HN 0.311 nan 8.290 nan 0.000 0.539 830 F N -3.653 116.434 119.950 0.229 0.000 2.685 830 F HA 0.443 4.971 4.527 0.000 0.000 0.315 830 F C -0.566 175.326 175.800 0.153 0.000 1.126 830 F CA -1.335 56.798 58.000 0.221 0.000 0.950 830 F CB 0.862 40.090 39.000 0.380 0.000 1.360 830 F HN -0.061 nan 8.300 nan 0.000 0.469 831 H N 2.683 121.850 119.070 0.162 0.000 3.109 831 H HA 0.199 4.755 4.556 0.000 0.000 0.266 831 H C 0.601 175.896 175.328 -0.055 0.000 1.334 831 H CA 0.734 56.727 56.048 -0.091 0.000 1.456 831 H CB 0.989 30.643 29.762 -0.180 0.000 1.587 831 H HN 0.856 nan 8.280 nan 0.000 0.500 832 Q N 2.488 122.114 119.800 -0.289 0.000 2.096 832 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 832 Q C 2.086 178.149 176.000 0.105 0.000 0.982 832 Q CA 1.559 57.274 55.803 -0.147 0.000 0.850 832 Q CB 0.202 28.802 28.738 -0.230 0.000 0.901 832 Q HN 0.697 nan 8.270 nan 0.000 0.422 833 Q N -0.058 119.789 119.800 0.078 0.000 2.046 833 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 833 Q C 2.048 178.119 176.000 0.118 0.000 0.975 833 Q CA 1.299 57.161 55.803 0.099 0.000 0.836 833 Q CB -0.145 28.632 28.738 0.065 0.000 0.896 833 Q HN 0.400 nan 8.270 nan 0.000 0.428 834 A N 0.658 123.558 122.820 0.134 0.000 1.940 834 A HA -0.190 4.131 4.320 0.000 0.000 0.219 834 A C 1.956 179.609 177.584 0.115 0.000 1.176 834 A CA 1.325 53.320 52.037 -0.069 0.000 0.631 834 A CB -0.694 18.046 19.000 -0.432 0.000 0.814 834 A HN 0.482 nan 8.150 nan 0.000 0.446 835 L N -0.154 121.217 121.223 0.246 0.000 2.056 835 L HA -0.170 4.170 4.340 0.000 0.000 0.207 835 L C 2.439 179.473 176.870 0.273 0.000 1.078 835 L CA 2.221 57.262 54.840 0.335 0.000 0.749 835 L CB -0.754 41.626 42.059 0.535 0.000 0.901 835 L HN 0.505 nan 8.230 nan 0.000 0.433 836 Q N -0.638 119.284 119.800 0.202 0.000 2.124 836 Q HA -0.230 4.110 4.340 0.000 0.000 0.202 836 Q C 2.081 178.118 176.000 0.062 0.000 0.977 836 Q CA 1.884 57.757 55.803 0.117 0.000 0.850 836 Q CB -0.162 28.619 28.738 0.072 0.000 0.901 836 Q HN 0.641 nan 8.270 nan 0.000 0.429 837 E N -0.141 120.087 120.200 0.047 0.000 2.077 837 E HA -0.213 4.137 4.350 0.000 0.000 0.193 837 E C 1.702 178.336 176.600 0.057 0.000 0.989 837 E CA 1.017 57.401 56.400 -0.027 0.000 0.800 837 E CB -0.130 29.498 29.700 -0.120 0.000 0.746 837 E HN 0.337 nan 8.360 nan 0.000 0.452 838 Y N 1.273 121.614 120.300 0.068 0.000 2.145 838 Y HA -0.186 4.364 4.550 0.000 0.000 0.286 838 Y C 1.893 177.838 175.900 0.076 0.000 1.145 838 Y CA 1.370 59.547 58.100 0.129 0.000 1.148 838 Y CB -0.146 38.391 38.460 0.129 0.000 0.981 838 Y HN -0.055 nan 8.280 nan 0.000 0.507 839 I N -0.438 120.112 120.570 -0.034 0.000 2.202 839 I HA -0.325 3.845 4.170 0.000 0.000 0.242 839 I C 2.294 178.325 176.117 -0.143 0.000 1.091 839 I CA 1.407 62.635 61.300 -0.120 0.000 1.368 839 I CB -0.470 37.547 38.000 0.029 0.000 1.058 839 I HN 0.221 nan 8.210 nan 0.000 0.410 840 L N -0.409 120.760 121.223 -0.090 0.000 2.093 840 L HA -0.178 4.162 4.340 0.000 0.000 0.208 840 L C 2.522 179.298 176.870 -0.157 0.000 1.085 840 L CA 1.394 56.179 54.840 -0.092 0.000 0.755 840 L CB -0.332 41.679 42.059 -0.079 0.000 0.904 840 L HN 0.279 nan 8.230 nan 0.000 0.435 841 M N -2.003 117.449 119.600 -0.247 0.000 2.394 841 M HA -0.070 4.410 4.480 0.000 0.000 0.266 841 M C 1.871 178.100 176.300 -0.117 0.000 1.098 841 M CA 0.845 55.935 55.300 -0.350 0.000 1.149 841 M CB 0.100 32.420 32.600 -0.466 0.000 1.369 841 M HN 0.345 nan 8.290 nan 0.000 0.450 842 C N -1.656 117.502 119.300 -0.236 0.000 2.935 842 C HA 0.144 4.605 4.460 0.000 0.000 0.308 842 C C 1.947 176.746 174.990 -0.318 0.000 1.263 842 C CA -0.422 58.416 59.018 -0.300 0.000 1.738 842 C CB -0.309 27.123 27.740 -0.512 0.000 2.237 842 C HN 0.562 nan 8.230 nan 0.000 0.600 843 C N 1.073 120.170 119.300 -0.338 0.000 2.884 843 C HA 0.201 4.661 4.460 0.000 0.000 0.287 843 C C 0.610 175.526 174.990 -0.123 0.000 1.310 843 C CA -0.164 58.714 59.018 -0.234 0.000 1.725 843 C CB -1.771 25.821 27.740 -0.246 0.000 2.060 843 C HN 0.605 nan 8.230 nan 0.000 0.618 844 Q N 0.291 120.053 119.800 -0.062 0.000 2.271 844 Q HA 0.326 4.666 4.340 0.000 0.000 0.258 844 Q C -0.486 175.526 176.000 0.019 0.000 0.936 844 Q CA -0.094 55.726 55.803 0.029 0.000 0.909 844 Q CB 1.838 30.646 28.738 0.117 0.000 1.253 844 Q HN 0.444 nan 8.270 nan 0.000 0.440 845 C N 5.247 124.556 119.300 0.014 0.000 2.415 845 C HA 0.296 4.756 4.460 0.000 0.000 0.369 845 C C -0.848 174.126 174.990 -0.027 0.000 1.279 845 C CA -1.925 57.066 59.018 -0.045 0.000 1.886 845 C CB 0.070 27.730 27.740 -0.134 0.000 2.468 845 C HN 0.745 nan 8.230 nan 0.000 0.553 846 P HA -0.100 nan 4.420 nan 0.000 0.221 846 P C 0.926 178.194 177.300 -0.053 0.000 1.145 846 P CA 1.893 64.974 63.100 -0.032 0.000 0.795 846 P CB 0.056 31.743 31.700 -0.022 0.000 0.775 847 A N -0.718 122.059 122.820 -0.070 0.000 2.251 847 A HA 0.500 4.820 4.320 0.000 0.000 0.209 847 A C 1.013 178.542 177.584 -0.091 0.000 1.187 847 A CA 0.599 52.593 52.037 -0.072 0.000 0.823 847 A CB -0.693 18.262 19.000 -0.077 0.000 0.846 847 A HN 0.389 nan 8.150 nan 0.000 0.486 848 G N -2.474 106.260 108.800 -0.110 0.000 2.640 848 G HA2 0.547 4.508 3.960 0.000 0.000 0.686 848 G HA3 0.547 4.508 3.960 0.000 0.000 0.686 848 G C 0.340 175.110 174.900 -0.218 0.000 1.229 848 G CA -0.227 44.842 45.100 -0.052 0.000 0.796 848 G HN 2.396 nan 8.290 nan 0.000 0.654 849 G N -0.992 107.913 108.800 0.175 0.000 2.662 849 G HA2 0.382 4.342 3.960 0.000 0.000 0.686 849 G HA3 0.382 4.342 3.960 0.000 0.000 0.686 849 G C -0.689 174.126 174.900 -0.142 0.000 1.271 849 G CA 0.049 45.033 45.100 -0.193 0.000 0.816 849 G HN 1.660 nan 8.290 nan 0.000 0.608 850 L N -0.342 120.782 121.223 -0.164 0.000 2.279 850 L HA 0.946 5.287 4.340 0.000 0.000 0.262 850 L C 0.468 177.275 176.870 -0.106 0.000 1.019 850 L CA -0.958 53.794 54.840 -0.147 0.000 0.823 850 L CB 1.924 43.871 42.059 -0.188 0.000 1.358 850 L HN 0.788 nan 8.230 nan 0.000 0.432 851 L N -1.884 119.270 121.223 -0.115 0.000 2.322 851 L HA 0.605 4.945 4.340 0.000 0.000 0.252 851 L C 0.415 177.150 176.870 -0.225 0.000 1.055 851 L CA -0.735 53.995 54.840 -0.184 0.000 0.849 851 L CB 0.872 42.825 42.059 -0.176 0.000 1.446 851 L HN 0.485 nan 8.230 nan 0.000 0.416 852 D N 0.417 120.527 120.400 -0.483 0.000 2.077 852 D HA -0.084 4.556 4.640 0.000 0.000 0.196 852 D C 0.016 176.307 176.300 -0.016 0.000 0.986 852 D CA 1.837 55.632 54.000 -0.340 0.000 0.829 852 D CB 0.434 40.967 40.800 -0.446 0.000 0.983 852 D HN 0.663 nan 8.370 nan 0.000 0.453 853 K N -1.838 118.535 120.400 -0.045 0.000 2.615 853 K HA 0.490 4.810 4.320 0.000 0.000 0.291 853 K C -3.056 173.527 176.600 -0.029 0.000 1.017 853 K CA -1.544 54.767 56.287 0.040 0.000 0.882 853 K CB 1.151 33.726 32.500 0.125 0.000 1.522 853 K HN -0.312 nan 8.250 nan 0.000 0.412 854 P HA 0.044 nan 4.420 nan 0.000 0.264 854 P C 0.479 177.763 177.300 -0.027 0.000 1.183 854 P CA 1.724 64.803 63.100 -0.036 0.000 0.763 854 P CB 0.595 32.278 31.700 -0.029 0.000 0.807 855 G N 1.366 110.145 108.800 -0.036 0.000 2.232 855 G HA2 -0.171 3.790 3.960 0.000 0.000 0.226 855 G HA3 -0.171 3.790 3.960 0.000 0.000 0.226 855 G C 0.088 174.964 174.900 -0.041 0.000 0.996 855 G CA -0.304 44.777 45.100 -0.031 0.000 0.626 855 G HN 0.474 nan 8.290 nan 0.000 0.509 856 K N 1.466 121.830 120.400 -0.059 0.000 2.098 856 K HA 0.650 4.970 4.320 0.000 0.000 0.258 856 K C 0.727 177.272 176.600 -0.092 0.000 0.973 856 K CA 0.171 56.410 56.287 -0.080 0.000 0.898 856 K CB 1.578 34.005 32.500 -0.120 0.000 1.057 856 K HN 0.579 nan 8.250 nan 0.000 0.447 857 S N 1.128 116.778 115.700 -0.084 0.000 2.601 857 S HA 0.339 4.809 4.470 0.000 0.000 0.271 857 S C 0.307 174.843 174.600 -0.106 0.000 1.305 857 S CA -0.883 57.267 58.200 -0.084 0.000 1.022 857 S CB 0.946 64.112 63.200 -0.057 0.000 0.940 857 S HN 0.578 nan 8.310 nan 0.000 0.525 858 R N 0.443 120.866 120.500 -0.128 0.000 2.679 858 R HA 0.517 4.857 4.340 0.000 0.000 0.269 858 R C -1.044 175.215 176.300 -0.069 0.000 1.076 858 R CA -0.355 55.652 56.100 -0.156 0.000 1.160 858 R CB -0.284 29.822 30.300 -0.324 0.000 1.054 858 R HN 0.852 nan 8.270 nan 0.000 0.507 859 D N -0.216 120.178 120.400 -0.010 0.000 2.648 859 D HA 0.127 4.767 4.640 0.000 0.000 0.244 859 D C -0.388 175.943 176.300 0.052 0.000 1.244 859 D CA -0.830 53.217 54.000 0.078 0.000 0.772 859 D CB 0.188 41.093 40.800 0.175 0.000 1.379 859 D HN 0.390 nan 8.370 nan 0.000 0.428 860 F N -0.588 119.571 119.950 0.348 0.000 2.293 860 F HA -0.051 4.476 4.527 0.000 0.000 0.300 860 F C 1.936 177.672 175.800 -0.107 0.000 1.086 860 F CA 0.569 58.686 58.000 0.196 0.000 1.375 860 F CB -0.339 38.825 39.000 0.274 0.000 1.045 860 F HN 0.477 nan 8.300 nan 0.000 0.516 861 Y N 0.652 120.665 120.300 -0.477 0.000 2.114 861 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 861 Y C 2.379 177.968 175.900 -0.518 0.000 1.143 861 Y CA 1.912 59.294 58.100 -1.198 0.000 1.135 861 Y CB -1.071 36.566 38.460 -1.372 0.000 0.980 861 Y HN 0.061 nan 8.280 nan 0.000 0.499 862 H N -1.023 117.755 119.070 -0.486 0.000 2.457 862 H HA -0.066 4.490 4.556 0.000 0.000 0.294 862 H C 2.144 177.297 175.328 -0.292 0.000 1.064 862 H CA 1.857 57.636 56.048 -0.449 0.000 1.330 862 H CB -0.245 29.378 29.762 -0.232 0.000 1.395 862 H HN 0.317 nan 8.280 nan 0.000 0.541 863 T N -0.625 113.872 114.554 -0.096 0.000 2.746 863 T HA -0.228 4.122 4.350 0.000 0.000 0.267 863 T C 2.349 176.942 174.700 -0.179 0.000 1.039 863 T CA 1.282 63.332 62.100 -0.085 0.000 1.142 863 T CB -0.677 68.249 68.868 0.096 0.000 0.866 863 T HN 0.552 nan 8.240 nan 0.000 0.444 864 C N 0.780 119.943 119.300 -0.228 0.000 2.436 864 C HA -0.058 4.402 4.460 0.000 0.000 0.277 864 C C 2.329 176.956 174.990 -0.604 0.000 1.241 864 C CA 0.504 59.291 59.018 -0.385 0.000 1.721 864 C CB -1.610 25.904 27.740 -0.376 0.000 2.043 864 C HN 0.544 nan 8.230 nan 0.000 0.472 865 F N 0.431 120.069 119.950 -0.520 0.000 2.367 865 F HA 0.024 4.551 4.527 0.000 0.000 0.298 865 F C 2.665 178.271 175.800 -0.325 0.000 1.094 865 F CA 1.291 58.972 58.000 -0.531 0.000 1.409 865 F CB -0.866 37.643 39.000 -0.818 0.000 1.064 865 F HN 0.293 nan 8.300 nan 0.000 0.528 866 C N 0.037 119.248 119.300 -0.148 0.000 2.446 866 C HA -0.109 4.352 4.460 0.000 0.000 0.277 866 C C 2.810 177.747 174.990 -0.088 0.000 1.275 866 C CA 0.728 59.704 59.018 -0.070 0.000 1.727 866 C CB -1.130 26.566 27.740 -0.074 0.000 2.010 866 C HN 0.423 nan 8.230 nan 0.000 0.486 867 L N 0.297 121.420 121.223 -0.167 0.000 2.093 867 L HA -0.113 4.227 4.340 0.000 0.000 0.208 867 L C 2.641 179.428 176.870 -0.137 0.000 1.085 867 L CA 1.297 56.041 54.840 -0.161 0.000 0.755 867 L CB -0.663 41.262 42.059 -0.223 0.000 0.904 867 L HN 0.293 nan 8.230 nan 0.000 0.435 868 S N 0.150 115.723 115.700 -0.211 0.000 2.368 868 S HA -0.135 4.336 4.470 0.000 0.000 0.225 868 S C 2.022 176.685 174.600 0.105 0.000 1.030 868 S CA 1.307 59.430 58.200 -0.128 0.000 0.999 868 S CB -0.586 62.342 63.200 -0.453 0.000 0.844 868 S HN 0.608 nan 8.310 nan 0.000 0.459 869 G N 1.517 110.377 108.800 0.101 0.000 2.408 869 G HA2 -0.137 3.823 3.960 0.000 0.000 0.217 869 G HA3 -0.137 3.823 3.960 0.000 0.000 0.217 869 G C 1.377 176.358 174.900 0.136 0.000 1.150 869 G CA 0.719 45.894 45.100 0.124 0.000 0.776 869 G HN 0.410 nan 8.290 nan 0.000 0.542 870 L N 1.092 122.372 121.223 0.094 0.000 2.046 870 L HA 0.015 4.355 4.340 0.000 0.000 0.208 870 L C 2.859 179.792 176.870 0.105 0.000 1.077 870 L CA 2.433 57.330 54.840 0.095 0.000 0.747 870 L CB -0.820 41.260 42.059 0.036 0.000 0.896 870 L HN 0.224 nan 8.230 nan 0.000 0.432 871 S N -0.725 115.042 115.700 0.112 0.000 2.368 871 S HA -0.161 4.310 4.470 0.000 0.000 0.225 871 S C 2.060 176.824 174.600 0.273 0.000 1.030 871 S CA 1.599 59.909 58.200 0.183 0.000 0.999 871 S CB -0.423 62.894 63.200 0.194 0.000 0.844 871 S HN 0.497 nan 8.310 nan 0.000 0.459 872 I N 1.543 122.278 120.570 0.276 0.000 2.208 872 I HA -0.182 3.989 4.170 0.000 0.000 0.245 872 I C 2.733 179.148 176.117 0.497 0.000 1.097 872 I CA 1.216 62.715 61.300 0.333 0.000 1.363 872 I CB -0.489 37.611 38.000 0.168 0.000 1.051 872 I HN 0.379 nan 8.210 nan 0.000 0.413 873 A N -0.063 123.021 122.820 0.441 0.000 2.015 873 A HA -0.204 4.116 4.320 0.000 0.000 0.219 873 A C 2.203 179.908 177.584 0.202 0.000 1.163 873 A CA 1.315 53.635 52.037 0.471 0.000 0.646 873 A CB -0.399 18.861 19.000 0.434 0.000 0.806 873 A HN 0.504 nan 8.150 nan 0.000 0.448 874 Q N -0.962 118.857 119.800 0.031 0.000 2.269 874 Q HA 0.016 4.356 4.340 0.000 0.000 0.201 874 Q C -0.269 175.503 176.000 -0.379 0.000 0.946 874 Q CA 0.548 56.186 55.803 -0.274 0.000 0.877 874 Q CB 0.170 28.570 28.738 -0.564 0.000 0.963 874 Q HN 0.724 nan 8.270 nan 0.000 0.472 875 H N -0.758 118.428 119.070 0.194 0.000 2.539 875 H HA 0.247 4.804 4.556 0.000 0.000 0.332 875 H C -1.522 173.935 175.328 0.215 0.000 1.031 875 H CA -0.696 55.443 56.048 0.152 0.000 1.206 875 H CB 0.827 30.675 29.762 0.143 0.000 1.446 875 H HN 0.012 nan 8.280 nan 0.000 0.496 876 F N 1.941 121.803 119.950 -0.146 0.000 2.469 876 F HA 0.630 5.157 4.527 0.000 0.000 0.332 876 F C -0.292 175.288 175.800 -0.365 0.000 1.103 876 F CA -0.391 57.190 58.000 -0.699 0.000 0.979 876 F CB 1.875 40.255 39.000 -1.033 0.000 1.137 876 F HN 0.588 nan 8.300 nan 0.000 0.463 877 G N 2.469 110.436 108.800 -1.389 0.000 2.753 877 G HA2 0.502 4.462 3.960 0.000 0.000 0.295 877 G HA3 0.502 4.462 3.960 0.000 0.000 0.295 877 G C -1.983 172.362 174.900 -0.924 0.000 1.437 877 G CA -0.776 43.831 45.100 -0.822 0.000 1.094 877 G HN 0.800 nan 8.290 nan 0.000 0.540 878 S N 0.953 116.297 115.700 -0.593 0.000 2.616 878 S HA 0.633 5.103 4.470 0.000 0.000 0.276 878 S C 0.790 175.296 174.600 -0.156 0.000 1.159 878 S CA 0.976 58.979 58.200 -0.328 0.000 1.000 878 S CB 0.423 63.485 63.200 -0.229 0.000 1.117 878 S HN 2.670 nan 8.310 nan 0.000 0.464 879 G N 4.113 112.854 108.800 -0.098 0.000 2.596 879 G HA2 -0.184 3.776 3.960 0.000 0.000 0.304 879 G HA3 -0.184 3.776 3.960 0.000 0.000 0.304 879 G C 0.918 175.816 174.900 -0.002 0.000 1.189 879 G CA 0.380 45.475 45.100 -0.008 0.000 0.986 879 G HN 1.922 nan 8.290 nan 0.000 0.548 880 A N -0.681 122.149 122.820 0.016 0.000 2.308 880 A HA 0.626 4.946 4.320 0.000 0.000 0.217 880 A C 1.066 178.657 177.584 0.011 0.000 1.216 880 A CA 0.910 52.956 52.037 0.016 0.000 0.864 880 A CB -0.063 18.954 19.000 0.028 0.000 0.902 880 A HN 0.488 nan 8.150 nan 0.000 0.499 881 M N 0.515 120.121 119.600 0.009 0.000 2.188 881 M HA 0.527 5.008 4.480 0.000 0.000 0.357 881 M C -1.376 174.935 176.300 0.017 0.000 1.204 881 M CA -0.575 54.748 55.300 0.039 0.000 1.095 881 M CB 0.618 33.280 32.600 0.103 0.000 1.604 881 M HN 0.016 nan 8.290 nan 0.000 0.464 882 L N 3.505 124.760 121.223 0.054 0.000 2.438 882 L HA 0.423 4.763 4.340 0.000 0.000 0.270 882 L C -0.876 176.072 176.870 0.130 0.000 0.972 882 L CA -0.240 54.629 54.840 0.049 0.000 0.831 882 L CB 1.667 43.731 42.059 0.008 0.000 1.273 882 L HN 0.672 nan 8.230 nan 0.000 0.405 883 H N 1.431 120.520 119.070 0.031 0.000 2.924 883 H HA 0.571 5.128 4.556 0.000 0.000 0.333 883 H C -1.519 173.760 175.328 -0.083 0.000 0.979 883 H CA -0.470 55.533 56.048 -0.075 0.000 1.326 883 H CB 1.143 30.758 29.762 -0.246 0.000 1.600 883 H HN 0.497 nan 8.280 nan 0.000 0.520 884 D N 3.439 123.586 120.400 -0.423 0.000 2.175 884 D HA 0.362 5.002 4.640 0.000 0.000 0.248 884 D C -0.509 175.521 176.300 -0.451 0.000 1.047 884 D CA -0.361 53.462 54.000 -0.295 0.000 0.883 884 D CB 2.221 42.968 40.800 -0.089 0.000 1.180 884 D HN 0.254 nan 8.370 nan 0.000 0.438 885 V N 2.571 122.307 119.914 -0.296 0.000 2.380 885 V HA 0.158 4.278 4.120 0.000 0.000 0.268 885 V C -0.373 175.630 176.094 -0.152 0.000 1.008 885 V CA -0.690 61.483 62.300 -0.211 0.000 0.823 885 V CB 1.487 33.229 31.823 -0.135 0.000 1.053 885 V HN 0.273 nan 8.190 nan 0.000 0.446 886 V N 5.690 125.524 119.914 -0.132 0.000 2.304 886 V HA 0.352 4.472 4.120 0.000 0.000 0.269 886 V C 0.094 176.151 176.094 -0.060 0.000 1.036 886 V CA -0.446 61.795 62.300 -0.099 0.000 0.840 886 V CB 1.396 33.172 31.823 -0.079 0.000 1.036 886 V HN 0.628 nan 8.190 nan 0.000 0.466 887 L N 5.838 127.034 121.223 -0.045 0.000 2.426 887 L HA 0.778 5.118 4.340 0.000 0.000 0.271 887 L C 0.820 177.676 176.870 -0.022 0.000 1.169 887 L CA 1.940 56.761 54.840 -0.031 0.000 0.836 887 L CB 0.485 42.529 42.059 -0.024 0.000 1.112 887 L HN 0.945 nan 8.230 nan 0.000 0.465 888 G N 2.744 111.535 108.800 -0.016 0.000 2.568 888 G HA2 -0.098 3.863 3.960 0.000 0.000 0.222 888 G HA3 -0.098 3.863 3.960 0.000 0.000 0.222 888 G C -0.361 174.542 174.900 0.005 0.000 1.321 888 G CA -0.361 44.739 45.100 0.000 0.000 0.893 888 G HN 1.605 nan 8.290 nan 0.000 0.569 889 V N -1.397 118.528 119.914 0.018 0.000 2.843 889 V HA 0.463 4.584 4.120 0.000 0.000 0.305 889 V C -0.415 175.685 176.094 0.008 0.000 1.065 889 V CA 0.061 62.372 62.300 0.018 0.000 1.116 889 V CB 0.833 32.672 31.823 0.027 0.000 0.968 889 V HN 0.597 nan 8.190 nan 0.000 0.487 890 P HA -0.138 nan 4.420 nan 0.000 0.217 890 P C 1.220 178.524 177.300 0.006 0.000 1.148 890 P CA 1.602 64.702 63.100 0.001 0.000 0.828 890 P CB 0.096 31.797 31.700 0.001 0.000 0.783 891 E N -1.172 119.033 120.200 0.009 0.000 2.401 891 E HA -0.130 4.220 4.350 0.000 0.000 0.199 891 E C 1.443 178.051 176.600 0.014 0.000 1.023 891 E CA 0.572 56.977 56.400 0.009 0.000 0.859 891 E CB -0.893 28.811 29.700 0.007 0.000 0.780 891 E HN 0.292 nan 8.360 nan 0.000 0.523 892 N N 0.812 119.521 118.700 0.014 0.000 2.459 892 N HA -0.020 4.721 4.740 0.000 0.000 0.181 892 N C 0.083 175.603 175.510 0.017 0.000 1.046 892 N CA 0.727 53.788 53.050 0.017 0.000 0.904 892 N CB -0.212 38.281 38.487 0.010 0.000 0.964 892 N HN 0.147 nan 8.380 nan 0.000 0.444 893 A N 1.146 123.979 122.820 0.021 0.000 2.545 893 A HA 0.181 4.501 4.320 0.000 0.000 0.253 893 A C 0.359 177.994 177.584 0.085 0.000 1.074 893 A CA 0.170 52.237 52.037 0.051 0.000 0.760 893 A CB -0.251 18.794 19.000 0.074 0.000 1.005 893 A HN 0.228 nan 8.150 nan 0.000 0.506 894 L N 2.016 123.322 121.223 0.138 0.000 2.365 894 L HA 0.327 4.668 4.340 0.000 0.000 0.267 894 L C 0.515 177.497 176.870 0.186 0.000 1.033 894 L CA -1.058 53.856 54.840 0.123 0.000 0.802 894 L CB 0.707 42.815 42.059 0.082 0.000 1.267 894 L HN 0.639 nan 8.230 nan 0.000 0.457 895 Q N 1.886 121.725 119.800 0.065 0.000 2.373 895 Q HA 0.254 4.594 4.340 0.000 0.000 0.255 895 Q C -2.209 173.805 176.000 0.024 0.000 0.980 895 Q CA -1.593 54.216 55.803 0.010 0.000 0.882 895 Q CB 0.573 29.305 28.738 -0.011 0.000 1.249 895 Q HN 0.271 nan 8.270 nan 0.000 0.438 896 P HA 0.052 nan 4.420 nan 0.000 0.272 896 P C -0.456 176.913 177.300 0.116 0.000 1.230 896 P CA -0.112 62.982 63.100 -0.011 0.000 0.788 896 P CB 0.859 32.473 31.700 -0.142 0.000 0.949 897 T N 0.084 114.755 114.554 0.195 0.000 2.893 897 T HA 0.194 4.544 4.350 0.000 0.000 0.291 897 T C -0.758 174.115 174.700 0.289 0.000 1.028 897 T CA -0.501 61.760 62.100 0.267 0.000 0.995 897 T CB 0.384 69.432 68.868 0.300 0.000 1.051 897 T HN 0.378 nan 8.240 nan 0.000 0.470 898 H N 5.827 125.048 119.070 0.252 0.000 2.767 898 H HA 0.243 4.799 4.556 0.000 0.000 0.316 898 H C -1.600 173.928 175.328 0.334 0.000 1.059 898 H CA -1.759 54.456 56.048 0.277 0.000 1.461 898 H CB 1.897 31.857 29.762 0.330 0.000 1.475 898 H HN 0.433 nan 8.280 nan 0.000 0.531 899 P HA -0.128 nan 4.420 nan 0.000 0.225 899 P C 1.252 178.864 177.300 0.520 0.000 1.148 899 P CA 0.561 63.852 63.100 0.320 0.000 0.779 899 P CB 0.664 32.383 31.700 0.031 0.000 0.780 900 V N -1.521 118.742 119.914 0.582 0.000 2.374 900 V HA -0.109 4.011 4.120 0.000 0.000 0.241 900 V C 2.236 178.538 176.094 0.346 0.000 1.034 900 V CA 1.534 64.009 62.300 0.291 0.000 1.037 900 V CB -1.186 30.595 31.823 -0.069 0.000 0.682 900 V HN -0.032 nan 8.190 nan 0.000 0.463 901 Y N -0.639 119.999 120.300 0.565 0.000 2.497 901 Y HA 0.271 4.821 4.550 0.000 0.000 0.265 901 Y C 1.363 177.488 175.900 0.375 0.000 1.111 901 Y CA 0.209 58.562 58.100 0.420 0.000 1.288 901 Y CB -0.031 38.477 38.460 0.081 0.000 1.082 901 Y HN 0.360 nan 8.280 nan 0.000 0.536 902 N N 1.066 120.060 118.700 0.489 0.000 2.738 902 N HA -0.198 4.542 4.740 0.000 0.000 0.249 902 N C -0.924 174.479 175.510 -0.179 0.000 1.047 902 N CA 0.956 54.076 53.050 0.118 0.000 0.707 902 N CB -1.445 36.893 38.487 -0.249 0.000 0.937 902 N HN 0.641 nan 8.380 nan 0.000 0.545 903 I N -4.302 116.319 120.570 0.084 0.000 3.095 903 I HA 0.740 4.910 4.170 0.000 0.000 0.310 903 I C 0.971 177.229 176.117 0.236 0.000 1.196 903 I CA -1.027 60.321 61.300 0.079 0.000 0.985 903 I CB 1.544 39.584 38.000 0.066 0.000 1.250 903 I HN 0.009 nan 8.210 nan 0.000 0.446 904 G N 2.377 111.313 108.800 0.225 0.000 2.321 904 G HA2 0.266 4.226 3.960 0.000 0.000 0.237 904 G HA3 0.266 4.226 3.960 0.000 0.000 0.237 904 G C -2.010 173.005 174.900 0.192 0.000 1.282 904 G CA -0.658 44.556 45.100 0.189 0.000 0.886 904 G HN 0.605 nan 8.290 nan 0.000 0.528 905 P HA -0.118 nan 4.420 nan 0.000 0.218 905 P C 1.623 179.020 177.300 0.161 0.000 1.148 905 P CA 1.475 64.731 63.100 0.260 0.000 0.822 905 P CB 0.202 32.024 31.700 0.204 0.000 0.784 906 D N -0.314 120.151 120.400 0.108 0.000 2.144 906 D HA -0.183 4.457 4.640 0.000 0.000 0.200 906 D C 1.427 177.769 176.300 0.069 0.000 0.978 906 D CA 1.327 55.372 54.000 0.075 0.000 0.833 906 D CB -0.652 40.178 40.800 0.052 0.000 0.961 906 D HN 0.078 nan 8.370 nan 0.000 0.470 907 K N 0.736 121.180 120.400 0.073 0.000 2.097 907 K HA -0.007 4.313 4.320 0.000 0.000 0.205 907 K C 2.497 179.113 176.600 0.026 0.000 1.050 907 K CA 0.352 56.677 56.287 0.064 0.000 0.938 907 K CB -0.688 31.853 32.500 0.068 0.000 0.718 907 K HN 0.187 nan 8.250 nan 0.000 0.442 908 V N 1.965 121.876 119.914 -0.004 0.000 2.295 908 V HA -0.218 3.903 4.120 0.000 0.000 0.246 908 V C 2.402 178.455 176.094 -0.068 0.000 1.049 908 V CA 1.517 63.738 62.300 -0.132 0.000 1.024 908 V CB -0.406 31.305 31.823 -0.186 0.000 0.648 908 V HN 0.173 nan 8.190 nan 0.000 0.447 909 I N -0.365 120.216 120.570 0.019 0.000 2.226 909 I HA -0.320 3.850 4.170 0.000 0.000 0.245 909 I C 2.668 178.797 176.117 0.021 0.000 1.100 909 I CA 1.912 63.232 61.300 0.035 0.000 1.374 909 I CB -0.379 37.659 38.000 0.064 0.000 1.057 909 I HN 0.389 nan 8.210 nan 0.000 0.413 910 Q N 0.838 120.659 119.800 0.034 0.000 2.084 910 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 910 Q C 2.310 178.295 176.000 -0.024 0.000 0.978 910 Q CA 1.903 57.735 55.803 0.049 0.000 0.844 910 Q CB -0.057 28.742 28.738 0.101 0.000 0.898 910 Q HN 0.553 nan 8.270 nan 0.000 0.426 911 A N 0.256 123.040 122.820 -0.060 0.000 1.873 911 A HA -0.177 4.143 4.320 0.000 0.000 0.215 911 A C 2.280 179.807 177.584 -0.095 0.000 1.186 911 A CA 1.992 53.878 52.037 -0.252 0.000 0.616 911 A CB -1.228 17.742 19.000 -0.049 0.000 0.823 911 A HN 0.654 nan 8.150 nan 0.000 0.442 912 T N -2.963 111.573 114.554 -0.030 0.000 2.788 912 T HA -0.152 4.199 4.350 0.000 0.000 0.268 912 T C 1.793 176.507 174.700 0.023 0.000 1.044 912 T CA 2.180 64.293 62.100 0.023 0.000 1.139 912 T CB -1.070 67.792 68.868 -0.011 0.000 0.867 912 T HN 0.311 nan 8.240 nan 0.000 0.454 913 T N 0.638 115.188 114.554 -0.007 0.000 2.777 913 T HA -0.025 4.325 4.350 0.000 0.000 0.266 913 T C 1.465 176.135 174.700 -0.049 0.000 1.040 913 T CA 1.353 63.448 62.100 -0.008 0.000 1.141 913 T CB -0.600 68.275 68.868 0.011 0.000 0.868 913 T HN 0.530 nan 8.240 nan 0.000 0.444 914 Y N 0.975 121.110 120.300 -0.275 0.000 2.114 914 Y HA -0.114 4.437 4.550 0.000 0.000 0.284 914 Y C 1.801 177.456 175.900 -0.408 0.000 1.143 914 Y CA 1.238 59.080 58.100 -0.430 0.000 1.135 914 Y CB -0.585 37.359 38.460 -0.859 0.000 0.980 914 Y HN 0.236 nan 8.280 nan 0.000 0.499 915 F N -0.580 119.287 119.950 -0.138 0.000 2.407 915 F HA -0.129 4.399 4.527 0.000 0.000 0.299 915 F C 2.034 177.757 175.800 -0.129 0.000 1.097 915 F CA 0.561 58.470 58.000 -0.151 0.000 1.422 915 F CB -0.291 38.660 39.000 -0.082 0.000 1.067 915 F HN 0.025 nan 8.300 nan 0.000 0.539 916 L N -0.311 120.939 121.223 0.046 0.000 2.456 916 L HA -0.176 4.164 4.340 0.000 0.000 0.224 916 L C 1.890 178.744 176.870 -0.026 0.000 1.148 916 L CA 0.975 55.830 54.840 0.025 0.000 0.825 916 L CB -0.455 41.618 42.059 0.023 0.000 0.937 916 L HN 0.236 nan 8.230 nan 0.000 0.450 917 Q N -0.326 119.411 119.800 -0.105 0.000 2.451 917 Q HA 0.024 4.364 4.340 0.000 0.000 0.206 917 Q C 0.054 175.982 176.000 -0.119 0.000 0.947 917 Q CA 0.493 56.215 55.803 -0.134 0.000 0.937 917 Q CB 0.367 28.970 28.738 -0.225 0.000 1.025 917 Q HN 0.408 nan 8.270 nan 0.000 0.511 918 K N 1.439 121.789 120.400 -0.084 0.000 2.156 918 K HA 0.375 4.695 4.320 0.000 0.000 0.250 918 K C -2.471 174.135 176.600 0.010 0.000 0.955 918 K CA -2.023 54.242 56.287 -0.036 0.000 0.855 918 K CB 1.239 33.744 32.500 0.009 0.000 1.101 918 K HN -0.120 nan 8.250 nan 0.000 0.434 919 P HA 0.093 nan 4.420 nan 0.000 0.276 919 P C -0.420 176.914 177.300 0.056 0.000 1.252 919 P CA -0.511 62.607 63.100 0.029 0.000 0.802 919 P CB 0.728 32.436 31.700 0.013 0.000 1.035 920 V N 3.105 123.073 119.914 0.091 0.000 2.521 920 V HA 0.067 4.187 4.120 0.000 0.000 0.286 920 V C -1.878 174.281 176.094 0.107 0.000 1.034 920 V CA -1.200 61.173 62.300 0.122 0.000 1.045 920 V CB -0.248 31.715 31.823 0.234 0.000 0.974 920 V HN 0.550 nan 8.190 nan 0.000 0.480 921 P HA 0.034 nan 4.420 nan 0.000 0.251 921 P C 0.935 178.257 177.300 0.038 0.000 1.154 921 P CA 1.495 64.609 63.100 0.024 0.000 0.805 921 P CB -0.047 31.642 31.700 -0.019 0.000 0.759 922 G N 2.225 111.050 108.800 0.042 0.000 2.225 922 G HA2 -0.275 3.685 3.960 0.000 0.000 0.267 922 G HA3 -0.275 3.685 3.960 0.000 0.000 0.267 922 G C -0.268 174.716 174.900 0.139 0.000 1.024 922 G CA -0.220 44.909 45.100 0.048 0.000 0.784 922 G HN 0.530 nan 8.290 nan 0.000 0.507 923 F N -0.025 119.906 119.950 -0.031 0.000 2.591 923 F HA 0.711 5.238 4.527 0.000 0.000 0.309 923 F C -0.285 175.512 175.800 -0.004 0.000 1.098 923 F CA -1.166 56.824 58.000 -0.016 0.000 0.937 923 F CB 1.596 40.590 39.000 -0.010 0.000 1.250 923 F HN 0.082 nan 8.300 nan 0.000 0.447 924 E N 0.000 119.641 120.200 -0.931 0.000 2.725 924 E HA 0.000 4.350 4.350 0.000 0.000 0.291 924 E CA 0.000 56.001 56.400 -0.665 0.000 0.976 924 E CB 0.000 29.487 29.700 -0.356 0.000 0.812 924 E HN 0.000 nan 8.360 nan 0.000 0.440