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 1zi0_1_B DATA FIRST_RESID 535 DATA SEQUENCE TQEDVVVTLS HQGYVKYQPL SEYEAQRRGX XXXXXXXXXX EDFIDRLLVA DATA SEQUENCE NTHDHILCFS SRGRVYSMKV YQLPEATRGA RGRPIVNLLP LEQDERITAI DATA SEQUENCE LPVTEFEEGV KVFMATANGT VKKTVLTEFN RLRTAGKVAI KLVDGDELIG DATA SEQUENCE VDLTSGEDEV MLFSAEGKVV RFKESSVRAM GCNTTGVRGI RLGEGDKVVS DATA SEQUENCE LIVPRGDGAI LTATQNGYGK RTAVAEYPTK SRATKGVISI KVTERNGLVV DATA SEQUENCE GAVQVDDCDQ IMMITDAGTL VRTRVSEISI VGRNTQGVIL IRTAEDENVV DATA SEQUENCE GLQRVAE 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 535 T HA 0.000 nan 4.350 nan 0.000 0.228 535 T C 0.000 174.708 174.700 0.014 0.000 1.109 535 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.066 0.000 0.612 536 Q N -1.227 118.593 119.800 0.033 0.000 2.344 536 Q HA 0.338 4.679 4.340 0.001 0.000 0.320 536 Q C -0.571 175.454 176.000 0.041 0.000 1.238 536 Q CA 2.292 58.117 55.803 0.036 0.000 0.798 536 Q CB -1.883 26.868 28.738 0.022 0.000 0.929 536 Q HN 2.679 nan 8.270 nan 0.000 0.314 537 E N 1.616 121.849 120.200 0.054 0.000 2.403 537 E HA 0.546 4.897 4.350 0.001 0.000 0.280 537 E C -1.600 175.037 176.600 0.062 0.000 1.101 537 E CA -0.190 56.243 56.400 0.054 0.000 0.856 537 E CB 0.646 30.383 29.700 0.061 0.000 1.303 537 E HN 0.600 nan 8.360 nan 0.000 0.441 538 D N 0.587 121.019 120.400 0.054 0.000 2.264 538 D HA 0.530 5.171 4.640 0.001 0.000 0.250 538 D C 0.161 176.503 176.300 0.070 0.000 1.113 538 D CA 0.317 54.348 54.000 0.051 0.000 0.871 538 D CB 1.419 42.241 40.800 0.037 0.000 1.167 538 D HN 0.966 nan 8.370 nan 0.000 0.447 539 V N -0.055 119.906 119.914 0.079 0.000 3.102 539 V HA 0.661 4.782 4.120 0.001 0.000 0.312 539 V C -0.801 175.319 176.094 0.043 0.000 1.135 539 V CA -0.974 61.389 62.300 0.106 0.000 1.022 539 V CB 2.058 34.049 31.823 0.280 0.000 1.056 539 V HN 0.192 nan 8.190 nan 0.000 0.436 540 V N 3.220 123.132 119.914 -0.004 0.000 2.384 540 V HA 0.692 4.812 4.120 0.001 0.000 0.287 540 V C -0.425 175.634 176.094 -0.059 0.000 1.020 540 V CA -0.173 62.052 62.300 -0.125 0.000 0.850 540 V CB 1.518 33.093 31.823 -0.414 0.000 0.987 540 V HN 0.896 nan 8.190 nan 0.000 0.436 541 V N 6.391 126.287 119.914 -0.031 0.000 2.472 541 V HA 0.715 4.836 4.120 0.001 0.000 0.290 541 V C 0.355 176.439 176.094 -0.017 0.000 1.037 541 V CA 0.049 62.363 62.300 0.024 0.000 0.908 541 V CB 1.981 33.818 31.823 0.022 0.000 0.985 541 V HN 1.061 nan 8.190 nan 0.000 0.454 542 T N 2.667 117.230 114.554 0.014 0.000 2.909 542 T HA 0.745 5.095 4.350 0.001 0.000 0.299 542 T C -1.229 173.495 174.700 0.039 0.000 1.073 542 T CA -0.716 61.393 62.100 0.014 0.000 0.999 542 T CB 1.792 70.669 68.868 0.015 0.000 1.098 542 T HN 0.438 nan 8.240 nan 0.000 0.477 543 L N 2.952 124.195 121.223 0.034 0.000 2.343 543 L HA 0.691 5.031 4.340 0.001 0.000 0.278 543 L C 0.311 177.198 176.870 0.029 0.000 0.996 543 L CA -0.137 54.723 54.840 0.033 0.000 0.831 543 L CB 1.825 43.895 42.059 0.018 0.000 1.232 543 L HN 1.074 nan 8.230 nan 0.000 0.413 544 S N 2.205 117.931 115.700 0.043 0.000 2.645 544 S HA 0.175 4.645 4.470 0.001 0.000 0.266 544 S C 1.144 175.709 174.600 -0.058 0.000 1.258 544 S CA 0.161 58.362 58.200 0.001 0.000 0.990 544 S CB 0.642 63.872 63.200 0.051 0.000 0.967 544 S HN 0.806 nan 8.310 nan 0.000 0.556 545 H N 0.485 119.350 119.070 -0.342 0.000 2.421 545 H HA 0.015 4.572 4.556 0.001 0.000 0.298 545 H C 1.730 176.949 175.328 -0.180 0.000 1.087 545 H CA 2.178 57.977 56.048 -0.416 0.000 1.330 545 H CB -0.127 29.071 29.762 -0.941 0.000 1.388 545 H HN 0.741 nan 8.280 nan 0.000 0.526 546 Q N -0.961 118.775 119.800 -0.107 0.000 2.365 546 Q HA 0.168 4.509 4.340 0.001 0.000 0.203 546 Q C 0.768 176.765 176.000 -0.005 0.000 0.929 546 Q CA 0.334 56.116 55.803 -0.035 0.000 0.948 546 Q CB 0.810 29.629 28.738 0.134 0.000 1.043 546 Q HN 0.691 nan 8.270 nan 0.000 0.505 547 G N 0.199 108.978 108.800 -0.034 0.000 2.132 547 G HA2 -0.276 3.685 3.960 0.001 0.000 0.234 547 G HA3 -0.276 3.685 3.960 0.001 0.000 0.234 547 G C -0.485 174.332 174.900 -0.137 0.000 0.989 547 G CA -0.429 44.611 45.100 -0.100 0.000 0.676 547 G HN 0.280 nan 8.290 nan 0.000 0.522 548 Y N -0.784 119.485 120.300 -0.052 0.000 2.299 548 Y HA 0.583 5.133 4.550 0.001 0.000 0.326 548 Y C 0.683 176.573 175.900 -0.016 0.000 1.164 548 Y CA -0.353 57.730 58.100 -0.029 0.000 1.234 548 Y CB 1.839 40.287 38.460 -0.020 0.000 1.219 548 Y HN 0.199 nan 8.280 nan 0.000 0.497 549 V N 4.584 124.559 119.914 0.100 0.000 2.823 549 V HA 0.804 4.925 4.120 0.001 0.000 0.312 549 V C -1.241 174.918 176.094 0.108 0.000 1.072 549 V CA -0.659 61.687 62.300 0.076 0.000 0.937 549 V CB 1.796 33.631 31.823 0.021 0.000 1.013 549 V HN 0.911 nan 8.190 nan 0.000 0.430 550 K N 4.753 125.224 120.400 0.120 0.000 2.772 550 K HA 0.522 4.843 4.320 0.001 0.000 0.292 550 K C -2.086 174.641 176.600 0.211 0.000 1.049 550 K CA -0.910 55.476 56.287 0.164 0.000 0.846 550 K CB 1.274 33.839 32.500 0.110 0.000 1.514 550 K HN 0.834 nan 8.250 nan 0.000 0.373 551 Y N -0.908 119.402 120.300 0.016 0.000 2.609 551 Y HA 0.673 5.223 4.550 0.001 0.000 0.342 551 Y C -1.576 174.335 175.900 0.018 0.000 1.058 551 Y CA -0.775 57.326 58.100 0.002 0.000 1.055 551 Y CB 1.944 40.403 38.460 -0.002 0.000 1.292 551 Y HN 0.923 nan 8.280 nan 0.000 0.476 552 Q N 1.273 120.966 119.800 -0.178 0.000 2.472 552 Q HA 0.523 4.864 4.340 0.001 0.000 0.281 552 Q C -3.302 172.668 176.000 -0.051 0.000 0.997 552 Q CA -2.416 53.248 55.803 -0.231 0.000 0.828 552 Q CB 3.021 31.700 28.738 -0.097 0.000 1.443 552 Q HN 0.479 nan 8.270 nan 0.000 0.390 553 P HA -0.093 nan 4.420 nan 0.000 0.263 553 P C 0.714 178.056 177.300 0.070 0.000 1.195 553 P CA 0.082 63.199 63.100 0.030 0.000 0.762 553 P CB 0.904 32.612 31.700 0.013 0.000 0.799 554 L N 3.359 124.627 121.223 0.076 0.000 2.011 554 L HA -0.314 4.027 4.340 0.001 0.000 0.225 554 L C 2.343 179.290 176.870 0.129 0.000 1.084 554 L CA 2.408 57.309 54.840 0.103 0.000 0.791 554 L CB -0.793 41.309 42.059 0.072 0.000 0.898 554 L HN 0.373 nan 8.230 nan 0.000 0.440 555 S N -0.624 115.123 115.700 0.078 0.000 2.370 555 S HA -0.254 4.217 4.470 0.001 0.000 0.226 555 S C 2.127 176.756 174.600 0.049 0.000 1.033 555 S CA 1.684 59.917 58.200 0.056 0.000 1.011 555 S CB -0.591 62.630 63.200 0.034 0.000 0.852 555 S HN 0.705 nan 8.310 nan 0.000 0.457 556 E N 0.631 120.863 120.200 0.052 0.000 2.072 556 E HA -0.177 4.173 4.350 0.001 0.000 0.191 556 E C 1.687 178.314 176.600 0.046 0.000 0.985 556 E CA 1.459 57.879 56.400 0.033 0.000 0.801 556 E CB -1.228 28.486 29.700 0.024 0.000 0.750 556 E HN 0.743 nan 8.360 nan 0.000 0.452 557 Y N 1.524 121.817 120.300 -0.012 0.000 2.145 557 Y HA -0.164 4.386 4.550 0.001 0.000 0.286 557 Y C 2.307 178.206 175.900 -0.002 0.000 1.145 557 Y CA 2.206 60.302 58.100 -0.006 0.000 1.148 557 Y CB 0.175 38.636 38.460 0.002 0.000 0.981 557 Y HN 0.193 nan 8.280 nan 0.000 0.507 558 E N 0.429 120.615 120.200 -0.024 0.000 2.077 558 E HA -0.205 4.146 4.350 0.001 0.000 0.193 558 E C 2.426 178.949 176.600 -0.129 0.000 0.989 558 E CA 1.094 57.437 56.400 -0.095 0.000 0.800 558 E CB -0.681 29.038 29.700 0.032 0.000 0.746 558 E HN 0.592 nan 8.360 nan 0.000 0.452 559 A N 1.441 124.214 122.820 -0.079 0.000 1.883 559 A HA -0.270 4.051 4.320 0.001 0.000 0.217 559 A C 2.166 179.691 177.584 -0.099 0.000 1.186 559 A CA 1.832 53.828 52.037 -0.068 0.000 0.624 559 A CB -0.617 18.360 19.000 -0.039 0.000 0.822 559 A HN 0.244 nan 8.150 nan 0.000 0.444 560 Q N -1.285 118.435 119.800 -0.133 0.000 2.046 560 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 560 Q C 2.512 178.410 176.000 -0.169 0.000 0.975 560 Q CA 1.846 57.568 55.803 -0.136 0.000 0.836 560 Q CB -0.367 28.291 28.738 -0.132 0.000 0.896 560 Q HN 0.691 nan 8.270 nan 0.000 0.428 561 R N 1.820 122.153 120.500 -0.278 0.000 2.371 561 R HA -0.093 4.248 4.340 0.001 0.000 0.226 561 R C 0.799 177.014 176.300 -0.142 0.000 1.132 561 R CA 0.861 56.807 56.100 -0.256 0.000 1.027 561 R CB -1.202 28.864 30.300 -0.390 0.000 0.848 561 R HN 0.223 nan 8.270 nan 0.000 0.479 562 R N -0.280 120.152 120.500 -0.113 0.000 2.522 562 R HA 0.397 4.737 4.340 0.001 0.000 0.284 562 R C 0.800 177.064 176.300 -0.059 0.000 1.032 562 R CA 0.974 57.031 56.100 -0.072 0.000 1.049 562 R CB 0.504 30.770 30.300 -0.058 0.000 0.956 562 R HN 0.713 nan 8.270 nan 0.000 0.422 576 D N -0.659 119.819 120.400 0.130 0.000 2.498 576 D HA 0.772 5.413 4.640 0.001 0.000 0.247 576 D C -0.742 175.649 176.300 0.152 0.000 1.070 576 D CA -0.236 53.819 54.000 0.093 0.000 0.842 576 D CB 0.935 41.734 40.800 -0.001 0.000 1.361 576 D HN 0.773 nan 8.370 nan 0.000 0.484 577 F N 1.360 121.348 119.950 0.063 0.000 2.640 577 F HA 0.619 5.146 4.527 0.001 0.000 0.324 577 F C -0.592 175.250 175.800 0.070 0.000 1.077 577 F CA -1.341 56.682 58.000 0.039 0.000 0.965 577 F CB 0.595 39.592 39.000 -0.004 0.000 1.351 577 F HN 0.025 nan 8.300 nan 0.000 0.487 578 I N 2.016 122.724 120.570 0.230 0.000 2.588 578 I HA 0.041 4.212 4.170 0.001 0.000 0.283 578 I C 0.685 176.904 176.117 0.171 0.000 1.119 578 I CA 0.344 61.723 61.300 0.133 0.000 1.419 578 I CB 0.714 38.800 38.000 0.144 0.000 1.394 578 I HN 0.888 nan 8.210 nan 0.000 0.562 579 D N 4.428 124.867 120.400 0.066 0.000 2.615 579 D HA -0.003 4.638 4.640 0.001 0.000 0.259 579 D C 0.548 176.900 176.300 0.088 0.000 0.999 579 D CA 0.374 54.432 54.000 0.096 0.000 0.938 579 D CB 0.845 41.673 40.800 0.046 0.000 1.121 579 D HN 0.386 nan 8.370 nan 0.000 0.487 580 R N 0.405 120.939 120.500 0.056 0.000 2.686 580 R HA 0.638 4.979 4.340 0.001 0.000 0.283 580 R C -1.727 174.587 176.300 0.024 0.000 0.978 580 R CA -0.718 55.406 56.100 0.040 0.000 0.897 580 R CB 1.343 31.663 30.300 0.033 0.000 1.192 580 R HN 0.106 nan 8.270 nan 0.000 0.457 581 L N 5.138 126.366 121.223 0.009 0.000 2.482 581 L HA 0.724 5.065 4.340 0.001 0.000 0.263 581 L C -1.965 174.884 176.870 -0.035 0.000 0.957 581 L CA -0.978 53.847 54.840 -0.024 0.000 0.836 581 L CB 1.775 43.816 42.059 -0.030 0.000 1.324 581 L HN 0.753 nan 8.230 nan 0.000 0.406 582 L N 3.392 124.583 121.223 -0.054 0.000 2.568 582 L HA 0.844 5.185 4.340 0.001 0.000 0.257 582 L C -1.705 175.129 176.870 -0.059 0.000 1.024 582 L CA -0.708 54.105 54.840 -0.046 0.000 0.854 582 L CB 1.849 43.891 42.059 -0.028 0.000 1.460 582 L HN 0.217 nan 8.230 nan 0.000 0.409 583 V N 0.775 120.663 119.914 -0.044 0.000 2.555 583 V HA 1.046 5.167 4.120 0.001 0.000 0.302 583 V C 0.252 176.332 176.094 -0.023 0.000 1.038 583 V CA 0.435 62.714 62.300 -0.036 0.000 0.887 583 V CB 0.920 32.726 31.823 -0.028 0.000 0.991 583 V HN 1.359 nan 8.190 nan 0.000 0.434 584 A N 3.826 126.638 122.820 -0.012 0.000 2.467 584 A HA 0.742 5.063 4.320 0.001 0.000 0.301 584 A C -1.316 176.267 177.584 -0.002 0.000 1.126 584 A CA -0.683 51.344 52.037 -0.016 0.000 0.632 584 A CB 1.408 20.387 19.000 -0.035 0.000 1.331 584 A HN 0.756 nan 8.150 nan 0.000 0.482 585 N N -0.677 118.015 118.700 -0.013 0.000 2.443 585 N HA 0.405 5.146 4.740 0.001 0.000 0.295 585 N C 1.199 176.699 175.510 -0.017 0.000 1.076 585 N CA 0.433 53.483 53.050 0.001 0.000 0.919 585 N CB 1.545 40.033 38.487 0.001 0.000 1.176 585 N HN 0.780 nan 8.380 nan 0.000 0.487 586 T N -1.329 113.238 114.554 0.021 0.000 2.869 586 T HA -0.209 4.142 4.350 0.001 0.000 0.270 586 T C 1.010 175.736 174.700 0.043 0.000 1.082 586 T CA 1.542 63.660 62.100 0.030 0.000 1.123 586 T CB -0.731 68.206 68.868 0.114 0.000 0.856 586 T HN 0.537 nan 8.240 nan 0.000 0.499 587 H N -0.136 118.944 119.070 0.017 0.000 2.520 587 H HA 0.339 4.895 4.556 0.001 0.000 0.284 587 H C 0.063 175.296 175.328 -0.158 0.000 1.037 587 H CA -0.989 55.053 56.048 -0.010 0.000 1.168 587 H CB -0.230 29.555 29.762 0.038 0.000 1.497 587 H HN 0.546 nan 8.280 nan 0.000 0.547 588 D N 0.235 120.534 120.400 -0.167 0.000 2.348 588 D HA 0.217 4.857 4.640 0.001 0.000 0.249 588 D C 0.267 176.381 176.300 -0.310 0.000 1.110 588 D CA -0.213 53.677 54.000 -0.183 0.000 0.967 588 D CB 0.583 41.324 40.800 -0.098 0.000 1.139 588 D HN 0.429 nan 8.370 nan 0.000 0.466 589 H N 0.109 119.140 119.070 -0.066 0.000 2.472 589 H HA 0.476 5.032 4.556 0.001 0.000 0.338 589 H C -0.165 175.119 175.328 -0.075 0.000 1.133 589 H CA -0.545 55.471 56.048 -0.053 0.000 1.216 589 H CB 1.607 31.399 29.762 0.050 0.000 1.497 589 H HN 0.310 nan 8.280 nan 0.000 0.500 590 I N 0.409 121.014 120.570 0.059 0.000 2.474 590 I HA 0.454 4.625 4.170 0.001 0.000 0.294 590 I C -1.165 174.966 176.117 0.024 0.000 1.005 590 I CA -0.912 60.396 61.300 0.015 0.000 1.113 590 I CB 1.763 39.751 38.000 -0.019 0.000 1.289 590 I HN 0.230 nan 8.210 nan 0.000 0.436 591 L N 5.853 127.080 121.223 0.007 0.000 2.296 591 L HA 0.531 4.872 4.340 0.001 0.000 0.286 591 L C -0.886 175.948 176.870 -0.059 0.000 1.023 591 L CA -0.586 54.209 54.840 -0.075 0.000 0.812 591 L CB 1.670 43.654 42.059 -0.124 0.000 1.223 591 L HN 0.724 nan 8.230 nan 0.000 0.421 592 C N 3.264 122.496 119.300 -0.113 0.000 2.322 592 C HA 0.579 5.039 4.460 0.001 0.000 0.324 592 C C -0.116 174.832 174.990 -0.070 0.000 1.284 592 C CA -0.867 58.159 59.018 0.014 0.000 1.606 592 C CB 0.011 27.786 27.740 0.059 0.000 2.251 592 C HN 0.448 nan 8.230 nan 0.000 0.502 593 F N 2.162 122.172 119.950 0.101 0.000 2.450 593 F HA 0.579 5.106 4.527 0.001 0.000 0.332 593 F C 0.917 176.780 175.800 0.106 0.000 1.093 593 F CA -0.135 57.923 58.000 0.098 0.000 1.003 593 F CB 1.561 40.592 39.000 0.052 0.000 1.151 593 F HN 0.632 nan 8.300 nan 0.000 0.474 594 S N -0.188 115.683 115.700 0.285 0.000 2.704 594 S HA 0.325 4.795 4.470 0.001 0.000 0.305 594 S C 0.698 175.392 174.600 0.156 0.000 1.107 594 S CA -0.172 58.148 58.200 0.200 0.000 0.993 594 S CB 1.450 64.774 63.200 0.206 0.000 1.110 594 S HN 0.652 nan 8.310 nan 0.000 0.534 595 S N -0.385 115.380 115.700 0.108 0.000 2.595 595 S HA 0.047 4.518 4.470 0.001 0.000 0.235 595 S C 1.600 176.244 174.600 0.074 0.000 0.974 595 S CA 0.508 58.756 58.200 0.081 0.000 0.942 595 S CB -0.789 62.446 63.200 0.058 0.000 0.766 595 S HN 1.075 nan 8.310 nan 0.000 0.536 596 R N 0.793 121.344 120.500 0.085 0.000 2.393 596 R HA 0.632 4.973 4.340 0.001 0.000 0.244 596 R C 1.556 177.897 176.300 0.068 0.000 0.920 596 R CA 0.579 56.721 56.100 0.069 0.000 1.076 596 R CB -1.494 28.848 30.300 0.069 0.000 1.119 596 R HN 1.188 nan 8.270 nan 0.000 0.524 597 G N 0.338 109.192 108.800 0.091 0.000 2.143 597 G HA2 -0.267 3.694 3.960 0.001 0.000 0.249 597 G HA3 -0.267 3.694 3.960 0.001 0.000 0.249 597 G C 0.362 175.311 174.900 0.081 0.000 0.981 597 G CA 0.420 45.576 45.100 0.093 0.000 0.665 597 G HN 0.646 nan 8.290 nan 0.000 0.528 598 R N -1.102 119.428 120.500 0.051 0.000 2.691 598 R HA 0.791 5.132 4.340 0.001 0.000 0.259 598 R C -0.572 175.614 176.300 -0.189 0.000 1.048 598 R CA -0.490 55.553 56.100 -0.095 0.000 1.086 598 R CB 2.280 32.480 30.300 -0.167 0.000 1.166 598 R HN 0.342 nan 8.270 nan 0.000 0.526 599 V N 1.983 121.620 119.914 -0.462 0.000 2.760 599 V HA 0.515 4.636 4.120 0.001 0.000 0.309 599 V C -1.821 173.831 176.094 -0.738 0.000 1.077 599 V CA -0.593 61.366 62.300 -0.569 0.000 0.910 599 V CB 1.666 33.196 31.823 -0.488 0.000 1.008 599 V HN 0.607 nan 8.190 nan 0.000 0.424 600 Y N 3.322 123.498 120.300 -0.207 0.000 2.499 600 Y HA 0.772 5.323 4.550 0.001 0.000 0.347 600 Y C 0.297 176.128 175.900 -0.115 0.000 0.987 600 Y CA -0.668 57.359 58.100 -0.121 0.000 1.044 600 Y CB 2.336 40.742 38.460 -0.090 0.000 1.245 600 Y HN 0.603 nan 8.280 nan 0.000 0.461 601 S N 4.498 120.242 115.700 0.073 0.000 2.526 601 S HA 0.919 5.389 4.470 0.001 0.000 0.293 601 S C -0.916 173.727 174.600 0.071 0.000 1.092 601 S CA -0.644 57.590 58.200 0.057 0.000 0.980 601 S CB 0.538 63.761 63.200 0.038 0.000 1.048 601 S HN 0.720 nan 8.310 nan 0.000 0.483 602 M N 1.074 120.722 119.600 0.079 0.000 2.682 602 M HA 0.567 5.048 4.480 0.001 0.000 0.272 602 M C -1.435 174.840 176.300 -0.041 0.000 1.232 602 M CA -1.037 54.272 55.300 0.015 0.000 0.849 602 M CB 1.380 33.952 32.600 -0.046 0.000 1.695 602 M HN 0.308 nan 8.290 nan 0.000 0.481 603 K N 0.696 120.943 120.400 -0.255 0.000 2.144 603 K HA 0.409 4.730 4.320 0.001 0.000 0.270 603 K C 0.836 177.106 176.600 -0.550 0.000 1.005 603 K CA -0.444 55.511 56.287 -0.554 0.000 0.932 603 K CB 1.738 33.606 32.500 -1.054 0.000 1.021 603 K HN 0.597 nan 8.250 nan 0.000 0.462 604 V N 1.365 120.995 119.914 -0.474 0.000 2.453 604 V HA -0.242 3.878 4.120 0.001 0.000 0.252 604 V C 1.920 177.663 176.094 -0.585 0.000 1.068 604 V CA 2.062 64.096 62.300 -0.443 0.000 1.070 604 V CB -0.985 30.633 31.823 -0.343 0.000 0.664 604 V HN 0.960 nan 8.190 nan 0.000 0.461 605 Y N -0.128 119.958 120.300 -0.358 0.000 2.578 605 Y HA 0.181 4.732 4.550 0.001 0.000 0.297 605 Y C 1.914 177.717 175.900 -0.160 0.000 1.176 605 Y CA 0.168 58.093 58.100 -0.292 0.000 1.315 605 Y CB -0.938 37.447 38.460 -0.126 0.000 1.031 605 Y HN 0.261 nan 8.280 nan 0.000 0.524 606 Q N 0.619 120.267 119.800 -0.253 0.000 2.392 606 Q HA 0.265 4.606 4.340 0.001 0.000 0.203 606 Q C -0.009 175.959 176.000 -0.053 0.000 0.917 606 Q CA -0.018 55.724 55.803 -0.102 0.000 0.939 606 Q CB 0.372 28.997 28.738 -0.188 0.000 1.063 606 Q HN 0.488 nan 8.270 nan 0.000 0.516 607 L N 1.781 122.943 121.223 -0.103 0.000 2.416 607 L HA 0.369 4.710 4.340 0.001 0.000 0.262 607 L C -2.027 174.941 176.870 0.164 0.000 1.093 607 L CA -2.259 52.578 54.840 -0.006 0.000 0.801 607 L CB 0.174 42.206 42.059 -0.045 0.000 1.191 607 L HN -0.073 nan 8.230 nan 0.000 0.459 608 P HA 0.176 nan 4.420 nan 0.000 0.276 608 P C -0.593 176.874 177.300 0.279 0.000 1.230 608 P CA -0.117 63.106 63.100 0.206 0.000 0.776 608 P CB 0.648 32.422 31.700 0.123 0.000 0.888 609 E N 1.715 122.017 120.200 0.170 0.000 2.349 609 E HA 0.392 4.743 4.350 0.001 0.000 0.265 609 E C 1.503 178.028 176.600 -0.125 0.000 1.064 609 E CA -0.024 56.292 56.400 -0.141 0.000 0.886 609 E CB 0.293 29.919 29.700 -0.123 0.000 1.036 609 E HN 0.512 nan 8.360 nan 0.000 0.413 610 A N 1.349 124.038 122.820 -0.219 0.000 2.024 610 A HA 0.009 4.330 4.320 0.001 0.000 0.220 610 A C 1.814 179.361 177.584 -0.062 0.000 1.164 610 A CA 2.070 54.046 52.037 -0.103 0.000 0.643 610 A CB -0.432 18.506 19.000 -0.103 0.000 0.806 610 A HN 0.747 nan 8.150 nan 0.000 0.451 611 T N -2.919 111.590 114.554 -0.075 0.000 2.874 611 T HA 0.443 4.794 4.350 0.001 0.000 0.281 611 T C 0.968 175.659 174.700 -0.015 0.000 0.994 611 T CA 1.621 63.698 62.100 -0.038 0.000 1.015 611 T CB 0.862 69.707 68.868 -0.039 0.000 1.028 611 T HN 1.744 nan 8.240 nan 0.000 0.523 612 R N -0.291 120.207 120.500 -0.003 0.000 3.951 612 R HA 0.003 4.344 4.340 0.001 0.000 0.352 612 R C 0.893 177.203 176.300 0.017 0.000 1.178 612 R CA 1.732 57.838 56.100 0.011 0.000 0.949 612 R CB -2.657 27.655 30.300 0.020 0.000 1.452 612 R HN 2.442 nan 8.270 nan 0.000 0.540 613 G N -3.656 105.151 108.800 0.011 0.000 2.151 613 G HA2 0.619 4.580 3.960 0.001 0.000 0.183 613 G HA3 0.619 4.580 3.960 0.001 0.000 0.183 613 G C 0.673 175.580 174.900 0.012 0.000 1.472 613 G CA 0.872 45.983 45.100 0.019 0.000 1.060 613 G HN 1.683 nan 8.290 nan 0.000 0.641 614 A N 2.466 125.286 122.820 0.000 0.000 1.898 614 A HA 0.072 4.393 4.320 0.001 0.000 0.216 614 A C 2.162 179.742 177.584 -0.006 0.000 1.181 614 A CA 2.008 54.041 52.037 -0.006 0.000 0.620 614 A CB -0.139 18.853 19.000 -0.014 0.000 0.819 614 A HN 0.691 nan 8.150 nan 0.000 0.442 615 R N -1.307 119.180 120.500 -0.020 0.000 2.161 615 R HA 0.268 4.609 4.340 0.001 0.000 0.213 615 R C 1.102 177.428 176.300 0.044 0.000 1.055 615 R CA 0.962 57.029 56.100 -0.057 0.000 0.996 615 R CB -0.085 30.097 30.300 -0.196 0.000 0.901 615 R HN 0.706 nan 8.270 nan 0.000 0.456 616 G N 0.092 108.954 108.800 0.103 0.000 2.416 616 G HA2 -0.183 3.778 3.960 0.001 0.000 0.203 616 G HA3 -0.183 3.778 3.960 0.001 0.000 0.203 616 G C -1.207 173.843 174.900 0.249 0.000 1.227 616 G CA -0.476 44.727 45.100 0.171 0.000 1.041 616 G HN 0.296 nan 8.290 nan 0.000 0.546 617 R N -0.004 120.618 120.500 0.204 0.000 2.771 617 R HA 0.549 4.890 4.340 0.001 0.000 0.274 617 R C -2.944 173.260 176.300 -0.160 0.000 0.987 617 R CA -1.725 54.420 56.100 0.076 0.000 0.908 617 R CB 2.494 32.810 30.300 0.026 0.000 1.213 617 R HN 0.354 nan 8.270 nan 0.000 0.468 618 P HA 0.088 nan 4.420 nan 0.000 0.271 618 P C 0.393 177.534 177.300 -0.265 0.000 1.226 618 P CA 0.084 62.860 63.100 -0.541 0.000 0.765 618 P CB 0.557 31.949 31.700 -0.512 0.000 0.835 619 I N 4.360 124.798 120.570 -0.221 0.000 2.567 619 I HA -0.194 3.977 4.170 0.001 0.000 0.257 619 I C 1.523 177.542 176.117 -0.164 0.000 1.184 619 I CA 1.250 62.457 61.300 -0.154 0.000 1.451 619 I CB 0.218 38.144 38.000 -0.123 0.000 1.089 619 I HN 0.132 nan 8.210 nan 0.000 0.441 620 V N -1.850 117.960 119.914 -0.174 0.000 2.913 620 V HA -0.156 3.965 4.120 0.001 0.000 0.260 620 V C 1.510 177.522 176.094 -0.136 0.000 1.098 620 V CA 1.915 64.122 62.300 -0.155 0.000 1.121 620 V CB -1.349 30.392 31.823 -0.137 0.000 0.714 620 V HN 0.473 nan 8.190 nan 0.000 0.487 621 N N -0.107 118.515 118.700 -0.131 0.000 2.412 621 N HA 0.157 4.898 4.740 0.001 0.000 0.184 621 N C 1.093 176.550 175.510 -0.088 0.000 1.101 621 N CA 0.500 53.491 53.050 -0.098 0.000 0.881 621 N CB 0.233 38.668 38.487 -0.087 0.000 0.969 621 N HN 0.374 nan 8.380 nan 0.000 0.459 622 L N -0.007 121.153 121.223 -0.106 0.000 2.537 622 L HA 0.263 4.604 4.340 0.001 0.000 0.224 622 L C -0.228 176.566 176.870 -0.128 0.000 1.065 622 L CA 0.558 55.341 54.840 -0.094 0.000 0.860 622 L CB 0.059 42.069 42.059 -0.082 0.000 1.086 622 L HN 0.046 nan 8.230 nan 0.000 0.482 623 L N 0.501 121.607 121.223 -0.194 0.000 2.322 623 L HA 0.463 4.804 4.340 0.001 0.000 0.281 623 L C -1.989 174.707 176.870 -0.291 0.000 1.014 623 L CA -1.976 52.671 54.840 -0.321 0.000 0.815 623 L CB 1.052 42.806 42.059 -0.509 0.000 1.247 623 L HN -0.150 nan 8.230 nan 0.000 0.421 624 P HA 0.105 nan 4.420 nan 0.000 0.238 624 P C -0.587 176.643 177.300 -0.115 0.000 1.649 624 P CA 0.205 63.237 63.100 -0.112 0.000 0.960 624 P CB -0.404 31.294 31.700 -0.004 0.000 1.911 625 L N -0.453 120.670 121.223 -0.167 0.000 2.349 625 L HA 0.204 4.545 4.340 0.001 0.000 0.275 625 L C 1.242 178.087 176.870 -0.042 0.000 1.115 625 L CA -0.312 54.463 54.840 -0.108 0.000 0.820 625 L CB 0.697 42.670 42.059 -0.144 0.000 1.135 625 L HN 0.110 nan 8.230 nan 0.000 0.445 626 E N 1.642 121.841 120.200 -0.002 0.000 2.620 626 E HA 0.048 4.399 4.350 0.001 0.000 0.255 626 E C -0.251 176.344 176.600 -0.008 0.000 1.346 626 E CA -0.481 55.921 56.400 0.003 0.000 1.013 626 E CB 1.218 30.930 29.700 0.022 0.000 1.131 626 E HN 0.551 nan 8.360 nan 0.000 0.608 627 Q N 0.909 120.706 119.800 -0.005 0.000 2.314 627 Q HA 0.202 4.542 4.340 0.001 0.000 0.258 627 Q C -0.279 175.719 176.000 -0.003 0.000 0.954 627 Q CA 0.607 56.405 55.803 -0.009 0.000 0.890 627 Q CB 0.711 29.445 28.738 -0.007 0.000 1.210 627 Q HN 0.803 nan 8.270 nan 0.000 0.410 628 D N -0.463 119.932 120.400 -0.008 0.000 2.946 628 D HA -0.170 4.471 4.640 0.001 0.000 0.202 628 D C 0.024 176.327 176.300 0.005 0.000 1.068 628 D CA 1.591 55.590 54.000 -0.002 0.000 1.011 628 D CB -0.720 40.082 40.800 0.004 0.000 1.105 628 D HN 0.786 nan 8.370 nan 0.000 0.425 629 E N 1.078 121.282 120.200 0.006 0.000 2.070 629 E HA 0.180 4.531 4.350 0.001 0.000 0.282 629 E C 0.431 177.037 176.600 0.010 0.000 1.104 629 E CA -0.475 55.939 56.400 0.023 0.000 0.876 629 E CB 0.452 30.173 29.700 0.036 0.000 1.055 629 E HN 0.274 nan 8.360 nan 0.000 0.401 630 R N 3.881 124.394 120.500 0.021 0.000 2.604 630 R HA 0.385 4.725 4.340 0.001 0.000 0.287 630 R C -0.243 176.081 176.300 0.039 0.000 0.970 630 R CA -0.909 55.198 56.100 0.011 0.000 0.946 630 R CB 0.873 31.175 30.300 0.004 0.000 1.127 630 R HN 0.297 nan 8.270 nan 0.000 0.473 631 I N 3.174 123.760 120.570 0.026 0.000 2.517 631 I HA 0.005 4.176 4.170 0.001 0.000 0.285 631 I C 0.732 176.892 176.117 0.072 0.000 1.106 631 I CA 0.271 61.606 61.300 0.059 0.000 1.402 631 I CB 0.883 38.900 38.000 0.029 0.000 1.399 631 I HN 0.871 nan 8.210 nan 0.000 0.535 632 T N 4.763 119.384 114.554 0.112 0.000 3.037 632 T HA 0.360 4.711 4.350 0.001 0.000 0.252 632 T C 0.559 175.314 174.700 0.091 0.000 1.073 632 T CA 0.339 62.495 62.100 0.093 0.000 1.091 632 T CB 0.483 69.406 68.868 0.093 0.000 0.935 632 T HN 0.756 nan 8.240 nan 0.000 0.488 633 A N 0.788 123.696 122.820 0.147 0.000 2.594 633 A HA 0.706 5.026 4.320 0.001 0.000 0.296 633 A C -1.837 175.871 177.584 0.207 0.000 1.061 633 A CA -0.731 51.387 52.037 0.134 0.000 0.689 633 A CB 1.013 20.047 19.000 0.056 0.000 1.280 633 A HN 0.269 nan 8.150 nan 0.000 0.406 634 I N 2.246 122.895 120.570 0.132 0.000 2.410 634 I HA 0.421 4.592 4.170 0.001 0.000 0.286 634 I C -1.119 175.053 176.117 0.092 0.000 1.009 634 I CA -0.371 61.000 61.300 0.117 0.000 1.111 634 I CB 1.546 39.582 38.000 0.060 0.000 1.262 634 I HN 0.480 nan 8.210 nan 0.000 0.443 635 L N 7.865 129.157 121.223 0.115 0.000 2.349 635 L HA 0.537 4.878 4.340 0.001 0.000 0.278 635 L C -2.567 174.310 176.870 0.013 0.000 0.996 635 L CA -1.885 52.990 54.840 0.059 0.000 0.825 635 L CB 1.983 44.091 42.059 0.082 0.000 1.243 635 L HN 0.242 nan 8.230 nan 0.000 0.412 636 P HA 0.272 nan 4.420 nan 0.000 0.275 636 P C -1.047 176.201 177.300 -0.086 0.000 1.228 636 P CA -0.341 62.733 63.100 -0.044 0.000 0.786 636 P CB 1.373 33.047 31.700 -0.042 0.000 0.927 637 V N 2.350 122.198 119.914 -0.110 0.000 2.610 637 V HA 0.151 4.271 4.120 0.001 0.000 0.298 637 V C 0.705 176.690 176.094 -0.182 0.000 1.067 637 V CA -0.191 61.976 62.300 -0.221 0.000 0.894 637 V CB 1.627 33.187 31.823 -0.439 0.000 1.015 637 V HN 0.522 nan 8.190 nan 0.000 0.432 638 T N 1.992 116.453 114.554 -0.155 0.000 2.939 638 T HA 0.266 4.617 4.350 0.001 0.000 0.254 638 T C 0.630 175.294 174.700 -0.059 0.000 1.041 638 T CA 1.437 63.490 62.100 -0.078 0.000 1.142 638 T CB 0.248 69.087 68.868 -0.049 0.000 0.874 638 T HN 0.945 nan 8.240 nan 0.000 0.452 639 E N 0.564 120.686 120.200 -0.129 0.000 2.343 639 E HA 0.565 4.916 4.350 0.001 0.000 0.278 639 E C -1.486 175.032 176.600 -0.138 0.000 0.910 639 E CA -0.896 55.483 56.400 -0.035 0.000 0.757 639 E CB 0.421 30.143 29.700 0.036 0.000 1.218 639 E HN 0.255 nan 8.360 nan 0.000 0.435 640 F N 1.893 121.871 119.950 0.046 0.000 2.661 640 F HA 0.486 5.013 4.527 0.001 0.000 0.356 640 F C 1.526 177.352 175.800 0.045 0.000 1.244 640 F CA 0.381 58.408 58.000 0.046 0.000 1.290 640 F CB -0.128 38.901 39.000 0.047 0.000 1.677 640 F HN 0.797 nan 8.300 nan 0.000 0.649 641 E N 0.491 120.759 120.200 0.112 0.000 2.422 641 E HA 0.347 4.698 4.350 0.001 0.000 0.260 641 E C 1.181 177.842 176.600 0.102 0.000 1.108 641 E CA 0.483 56.936 56.400 0.088 0.000 0.943 641 E CB 0.091 29.815 29.700 0.041 0.000 0.961 641 E HN 0.647 nan 8.360 nan 0.000 0.443 642 E N 0.013 120.262 120.200 0.081 0.000 2.250 642 E HA 0.157 4.508 4.350 0.001 0.000 0.192 642 E C 2.186 178.825 176.600 0.066 0.000 0.986 642 E CA 1.017 57.464 56.400 0.077 0.000 0.849 642 E CB -0.187 29.550 29.700 0.061 0.000 0.797 642 E HN 0.865 nan 8.360 nan 0.000 0.482 643 G N -0.083 108.748 108.800 0.052 0.000 2.813 643 G HA2 0.288 4.249 3.960 0.001 0.000 0.209 643 G HA3 0.288 4.249 3.960 0.001 0.000 0.209 643 G C 0.578 175.502 174.900 0.041 0.000 1.150 643 G CA 0.680 45.805 45.100 0.042 0.000 0.785 643 G HN 0.358 nan 8.290 nan 0.000 0.535 644 V N -0.044 119.897 119.914 0.045 0.000 2.612 644 V HA 0.556 4.676 4.120 0.001 0.000 0.301 644 V C -0.226 175.905 176.094 0.061 0.000 1.046 644 V CA -0.698 61.623 62.300 0.036 0.000 0.946 644 V CB 1.800 33.629 31.823 0.009 0.000 1.003 644 V HN 0.131 nan 8.190 nan 0.000 0.459 645 K N 1.614 122.050 120.400 0.060 0.000 2.400 645 K HA 0.743 5.064 4.320 0.001 0.000 0.246 645 K C -1.478 175.160 176.600 0.063 0.000 0.995 645 K CA -0.685 55.657 56.287 0.091 0.000 0.840 645 K CB 2.451 35.024 32.500 0.123 0.000 1.293 645 K HN 0.381 nan 8.250 nan 0.000 0.445 646 V N 2.297 122.253 119.914 0.070 0.000 2.370 646 V HA 0.367 4.488 4.120 0.001 0.000 0.279 646 V C -1.104 175.019 176.094 0.049 0.000 1.029 646 V CA -0.546 61.747 62.300 -0.012 0.000 0.870 646 V CB 0.580 32.339 31.823 -0.107 0.000 0.984 646 V HN 0.557 nan 8.190 nan 0.000 0.451 647 F N 6.359 126.246 119.950 -0.105 0.000 2.411 647 F HA 0.717 5.244 4.527 0.001 0.000 0.352 647 F C -0.021 175.709 175.800 -0.117 0.000 1.123 647 F CA -0.541 57.416 58.000 -0.072 0.000 1.044 647 F CB 1.363 40.325 39.000 -0.064 0.000 1.135 647 F HN 0.372 nan 8.300 nan 0.000 0.461 648 M N 5.647 124.960 119.600 -0.479 0.000 2.456 648 M HA 0.711 5.191 4.480 0.001 0.000 0.324 648 M C -0.893 175.242 176.300 -0.276 0.000 1.124 648 M CA -0.750 54.377 55.300 -0.289 0.000 0.959 648 M CB 2.149 34.625 32.600 -0.207 0.000 1.692 648 M HN 0.627 nan 8.290 nan 0.000 0.444 649 A N 1.424 124.202 122.820 -0.070 0.000 2.374 649 A HA 0.847 5.167 4.320 0.001 0.000 0.305 649 A C -0.358 177.238 177.584 0.020 0.000 1.053 649 A CA -0.661 51.385 52.037 0.015 0.000 0.726 649 A CB 1.204 20.286 19.000 0.136 0.000 1.229 649 A HN 0.813 nan 8.150 nan 0.000 0.431 650 T N -1.168 113.401 114.554 0.026 0.000 2.952 650 T HA 0.627 4.978 4.350 0.001 0.000 0.286 650 T C 1.095 175.822 174.700 0.046 0.000 1.024 650 T CA 0.046 62.164 62.100 0.030 0.000 1.029 650 T CB 1.616 70.494 68.868 0.017 0.000 1.094 650 T HN 1.437 nan 8.240 nan 0.000 0.515 651 A N 0.876 123.722 122.820 0.043 0.000 2.178 651 A HA -0.030 4.290 4.320 0.001 0.000 0.218 651 A C 1.879 179.490 177.584 0.045 0.000 1.157 651 A CA 1.341 53.407 52.037 0.048 0.000 0.689 651 A CB -1.277 17.749 19.000 0.043 0.000 0.787 651 A HN 0.992 nan 8.150 nan 0.000 0.465 652 N N -2.653 116.070 118.700 0.038 0.000 2.280 652 N HA 0.334 5.074 4.740 0.001 0.000 0.192 652 N C 0.888 176.420 175.510 0.036 0.000 1.109 652 N CA 0.666 53.736 53.050 0.033 0.000 0.855 652 N CB 0.290 38.791 38.487 0.023 0.000 0.974 652 N HN 0.401 nan 8.380 nan 0.000 0.482 653 G N -0.173 108.656 108.800 0.048 0.000 2.179 653 G HA2 -0.223 3.738 3.960 0.001 0.000 0.220 653 G HA3 -0.223 3.738 3.960 0.001 0.000 0.220 653 G C -0.075 174.857 174.900 0.052 0.000 0.990 653 G CA 0.107 45.241 45.100 0.057 0.000 0.646 653 G HN 0.371 nan 8.290 nan 0.000 0.517 654 T N 0.830 115.406 114.554 0.036 0.000 2.909 654 T HA 0.673 5.024 4.350 0.001 0.000 0.289 654 T C 0.500 175.205 174.700 0.008 0.000 1.005 654 T CA 0.280 62.389 62.100 0.015 0.000 1.084 654 T CB 2.252 71.119 68.868 -0.001 0.000 0.975 654 T HN 1.467 nan 8.240 nan 0.000 0.509 655 V N -0.059 119.841 119.914 -0.023 0.000 3.167 655 V HA 0.959 5.079 4.120 0.001 0.000 0.310 655 V C -0.953 175.000 176.094 -0.236 0.000 1.207 655 V CA -1.054 61.164 62.300 -0.137 0.000 1.059 655 V CB 2.233 34.058 31.823 0.003 0.000 1.079 655 V HN 0.948 nan 8.190 nan 0.000 0.446 656 K N 0.859 120.963 120.400 -0.494 0.000 2.685 656 K HA 0.572 4.892 4.320 0.001 0.000 0.290 656 K C -2.159 174.167 176.600 -0.457 0.000 1.018 656 K CA -0.603 55.480 56.287 -0.340 0.000 0.860 656 K CB 2.336 34.731 32.500 -0.175 0.000 1.498 656 K HN 1.183 nan 8.250 nan 0.000 0.390 657 K N 1.048 121.341 120.400 -0.178 0.000 2.523 657 K HA 0.536 4.857 4.320 0.001 0.000 0.257 657 K C -1.665 174.969 176.600 0.057 0.000 0.932 657 K CA -0.708 55.552 56.287 -0.045 0.000 0.812 657 K CB 2.281 34.841 32.500 0.099 0.000 1.326 657 K HN 0.429 nan 8.250 nan 0.000 0.433 658 T N 1.628 116.263 114.554 0.135 0.000 2.916 658 T HA 0.275 4.626 4.350 0.001 0.000 0.298 658 T C -0.593 174.262 174.700 0.257 0.000 1.031 658 T CA -0.707 61.511 62.100 0.197 0.000 0.993 658 T CB 1.711 70.749 68.868 0.284 0.000 1.045 658 T HN 0.417 nan 8.240 nan 0.000 0.454 659 V N 3.880 123.918 119.914 0.205 0.000 2.763 659 V HA 0.029 4.150 4.120 0.001 0.000 0.306 659 V C 1.632 177.925 176.094 0.332 0.000 1.059 659 V CA -0.087 62.335 62.300 0.203 0.000 1.138 659 V CB 0.560 32.466 31.823 0.139 0.000 0.940 659 V HN 0.775 nan 8.190 nan 0.000 0.489 660 L N 4.847 126.239 121.223 0.281 0.000 2.187 660 L HA -0.124 4.216 4.340 0.001 0.000 0.213 660 L C 2.373 179.556 176.870 0.521 0.000 1.100 660 L CA 2.077 57.133 54.840 0.360 0.000 0.765 660 L CB -0.745 41.413 42.059 0.164 0.000 0.904 660 L HN 0.926 nan 8.230 nan 0.000 0.437 661 T N -0.900 113.852 114.554 0.330 0.000 2.737 661 T HA -0.200 4.150 4.350 0.001 0.000 0.269 661 T C 1.687 176.465 174.700 0.130 0.000 1.040 661 T CA 1.526 63.760 62.100 0.223 0.000 1.142 661 T CB -0.193 68.749 68.868 0.122 0.000 0.861 661 T HN 0.390 nan 8.240 nan 0.000 0.456 662 E N 0.178 120.451 120.200 0.121 0.000 2.515 662 E HA 0.025 4.375 4.350 0.001 0.000 0.201 662 E C 0.964 177.397 176.600 -0.278 0.000 1.071 662 E CA 0.267 56.597 56.400 -0.116 0.000 0.880 662 E CB -0.490 29.075 29.700 -0.225 0.000 0.828 662 E HN 0.733 nan 8.360 nan 0.000 0.540 663 F N -0.846 119.103 119.950 -0.002 0.000 2.682 663 F HA 0.254 4.782 4.527 0.001 0.000 0.308 663 F C 2.364 177.958 175.800 -0.343 0.000 1.093 663 F CA 0.126 58.112 58.000 -0.024 0.000 1.244 663 F CB -1.017 38.095 39.000 0.187 0.000 1.052 663 F HN 0.185 nan 8.300 nan 0.000 0.573 664 N N 1.702 120.101 118.700 -0.501 0.000 2.049 664 N HA -0.196 4.545 4.740 0.001 0.000 0.198 664 N C 1.654 176.654 175.510 -0.850 0.000 1.030 664 N CA 2.105 54.429 53.050 -1.211 0.000 0.870 664 N CB -0.794 37.324 38.487 -0.615 0.000 1.045 664 N HN 0.339 nan 8.380 nan 0.000 0.434 665 R N -0.154 120.086 120.500 -0.433 0.000 2.860 665 R HA 0.716 5.057 4.340 0.001 0.000 0.282 665 R C -0.554 175.627 176.300 -0.198 0.000 1.408 665 R CA -0.472 55.456 56.100 -0.287 0.000 1.636 665 R CB -0.438 29.743 30.300 -0.198 0.000 1.187 665 R HN 0.676 nan 8.270 nan 0.000 0.611 666 L N 0.232 121.345 121.223 -0.183 0.000 2.325 666 L HA 0.911 5.252 4.340 0.001 0.000 0.278 666 L C 0.523 177.350 176.870 -0.071 0.000 1.023 666 L CA -0.863 53.909 54.840 -0.113 0.000 0.811 666 L CB 1.930 43.943 42.059 -0.076 0.000 1.249 666 L HN 0.695 nan 8.230 nan 0.000 0.431 667 R N 0.791 121.261 120.500 -0.050 0.000 2.553 667 R HA 0.488 4.829 4.340 0.001 0.000 0.263 667 R C 1.022 177.334 176.300 0.020 0.000 1.066 667 R CA 0.134 56.227 56.100 -0.013 0.000 1.135 667 R CB -0.402 29.891 30.300 -0.011 0.000 1.148 667 R HN 0.885 nan 8.270 nan 0.000 0.558 668 T N -2.265 112.318 114.554 0.048 0.000 3.160 668 T HA 0.146 4.496 4.350 0.001 0.000 0.257 668 T C 1.804 176.612 174.700 0.180 0.000 1.147 668 T CA 1.412 63.574 62.100 0.103 0.000 1.064 668 T CB -0.187 68.714 68.868 0.056 0.000 0.949 668 T HN 0.901 nan 8.240 nan 0.000 0.526 669 A N 0.989 123.875 122.820 0.110 0.000 2.015 669 A HA 0.521 4.842 4.320 0.001 0.000 0.219 669 A C 1.610 179.283 177.584 0.148 0.000 1.163 669 A CA 0.756 52.864 52.037 0.119 0.000 0.646 669 A CB -1.250 17.777 19.000 0.044 0.000 0.806 669 A HN 1.598 nan 8.150 nan 0.000 0.448 670 G N -0.980 107.824 108.800 0.008 0.000 2.730 670 G HA2 0.141 4.102 3.960 0.001 0.000 0.686 670 G HA3 0.141 4.102 3.960 0.001 0.000 0.686 670 G C -0.526 174.216 174.900 -0.264 0.000 1.343 670 G CA 0.014 44.915 45.100 -0.332 0.000 0.826 670 G HN 1.359 nan 8.290 nan 0.000 0.582 671 K N -2.058 118.138 120.400 -0.340 0.000 2.571 671 K HA 0.771 5.092 4.320 0.001 0.000 0.289 671 K C -0.628 175.847 176.600 -0.210 0.000 1.028 671 K CA -1.084 55.073 56.287 -0.217 0.000 0.895 671 K CB 1.307 33.699 32.500 -0.181 0.000 1.534 671 K HN 0.898 nan 8.250 nan 0.000 0.421 672 V N 1.309 121.141 119.914 -0.136 0.000 2.555 672 V HA 0.329 4.450 4.120 0.001 0.000 0.286 672 V C 0.769 176.823 176.094 -0.066 0.000 1.044 672 V CA 0.470 62.718 62.300 -0.087 0.000 1.026 672 V CB 0.710 32.496 31.823 -0.061 0.000 0.981 672 V HN 0.993 nan 8.190 nan 0.000 0.480 673 A N 5.083 127.909 122.820 0.009 0.000 2.085 673 A HA 0.533 4.853 4.320 0.001 0.000 0.208 673 A C 0.541 178.176 177.584 0.086 0.000 1.191 673 A CA 0.399 52.498 52.037 0.103 0.000 0.799 673 A CB 0.316 19.509 19.000 0.322 0.000 0.877 673 A HN 0.723 nan 8.150 nan 0.000 0.473 674 I N -0.267 120.336 120.570 0.055 0.000 2.710 674 I HA 0.288 4.459 4.170 0.001 0.000 0.290 674 I C -1.787 174.338 176.117 0.014 0.000 1.318 674 I CA -0.733 60.584 61.300 0.028 0.000 1.045 674 I CB 1.878 39.895 38.000 0.029 0.000 1.307 674 I HN -0.025 nan 8.210 nan 0.000 0.424 675 K N 7.721 128.120 120.400 -0.001 0.000 2.316 675 K HA 0.484 4.805 4.320 0.001 0.000 0.289 675 K C -1.097 175.504 176.600 0.001 0.000 1.070 675 K CA -0.310 55.975 56.287 -0.002 0.000 0.928 675 K CB 0.921 33.415 32.500 -0.009 0.000 1.039 675 K HN 0.459 nan 8.250 nan 0.000 0.480 676 L N 3.488 124.715 121.223 0.007 0.000 2.325 676 L HA 0.325 4.665 4.340 0.001 0.000 0.279 676 L C 0.198 177.072 176.870 0.007 0.000 1.054 676 L CA -1.200 53.645 54.840 0.009 0.000 0.804 676 L CB 1.385 43.454 42.059 0.017 0.000 1.200 676 L HN 0.379 nan 8.230 nan 0.000 0.436 677 V N -1.234 118.683 119.914 0.006 0.000 2.649 677 V HA 0.376 4.497 4.120 0.001 0.000 0.292 677 V C 0.459 176.558 176.094 0.008 0.000 1.055 677 V CA -0.556 61.747 62.300 0.005 0.000 1.023 677 V CB 0.905 32.730 31.823 0.004 0.000 0.992 677 V HN 0.911 nan 8.190 nan 0.000 0.480 678 D N 2.674 123.079 120.400 0.007 0.000 2.923 678 D HA 0.380 5.021 4.640 0.001 0.000 0.220 678 D C 1.521 177.828 176.300 0.011 0.000 1.099 678 D CA 1.053 55.058 54.000 0.009 0.000 0.807 678 D CB -0.413 40.391 40.800 0.007 0.000 1.155 678 D HN 2.561 nan 8.370 nan 0.000 0.524 679 G N 1.400 110.208 108.800 0.013 0.000 2.175 679 G HA2 -0.147 3.814 3.960 0.001 0.000 0.244 679 G HA3 -0.147 3.814 3.960 0.001 0.000 0.244 679 G C 0.226 175.137 174.900 0.018 0.000 0.982 679 G CA 0.579 45.689 45.100 0.015 0.000 0.641 679 G HN 1.003 nan 8.290 nan 0.000 0.527 680 D N 0.915 121.326 120.400 0.019 0.000 2.272 680 D HA 0.650 5.290 4.640 0.001 0.000 0.247 680 D C 0.188 176.504 176.300 0.026 0.000 0.990 680 D CA -0.039 53.974 54.000 0.022 0.000 0.931 680 D CB 1.111 41.922 40.800 0.019 0.000 1.195 680 D HN 0.591 nan 8.370 nan 0.000 0.477 681 E N 0.958 121.175 120.200 0.030 0.000 2.413 681 E HA 0.399 4.750 4.350 0.001 0.000 0.277 681 E C -1.341 175.282 176.600 0.038 0.000 0.958 681 E CA -1.064 55.358 56.400 0.035 0.000 0.779 681 E CB 1.296 31.018 29.700 0.038 0.000 1.278 681 E HN 0.241 nan 8.360 nan 0.000 0.456 682 L N 2.692 123.942 121.223 0.045 0.000 2.361 682 L HA 0.210 4.550 4.340 0.001 0.000 0.278 682 L C 0.066 176.963 176.870 0.044 0.000 1.113 682 L CA 0.085 54.951 54.840 0.042 0.000 0.849 682 L CB 0.666 42.762 42.059 0.062 0.000 1.155 682 L HN 0.745 nan 8.230 nan 0.000 0.452 683 I N 1.545 122.136 120.570 0.036 0.000 4.154 683 I HA 0.648 4.819 4.170 0.001 0.000 0.334 683 I C 0.539 176.675 176.117 0.032 0.000 1.371 683 I CA 0.057 61.381 61.300 0.040 0.000 1.110 683 I CB 0.132 38.160 38.000 0.047 0.000 1.085 683 I HN 0.506 nan 8.210 nan 0.000 0.398 684 G N 0.441 109.250 108.800 0.016 0.000 2.768 684 G HA2 0.666 4.626 3.960 0.001 0.000 0.297 684 G HA3 0.666 4.626 3.960 0.001 0.000 0.297 684 G C -1.777 173.094 174.900 -0.048 0.000 1.430 684 G CA -0.541 44.561 45.100 0.004 0.000 1.030 684 G HN -0.006 nan 8.290 nan 0.000 0.553 685 V N 1.379 121.232 119.914 -0.101 0.000 2.932 685 V HA 0.820 4.941 4.120 0.001 0.000 0.307 685 V C -1.238 174.760 176.094 -0.160 0.000 1.147 685 V CA -0.737 61.426 62.300 -0.229 0.000 0.951 685 V CB 2.348 33.809 31.823 -0.604 0.000 1.031 685 V HN 0.862 nan 8.190 nan 0.000 0.426 686 D N 1.379 121.705 120.400 -0.124 0.000 2.671 686 D HA 0.513 5.153 4.640 0.001 0.000 0.273 686 D C -1.528 174.736 176.300 -0.060 0.000 1.264 686 D CA -0.438 53.513 54.000 -0.082 0.000 0.788 686 D CB 2.147 42.915 40.800 -0.053 0.000 1.324 686 D HN 0.433 nan 8.370 nan 0.000 0.424 687 L N 1.272 122.460 121.223 -0.059 0.000 2.307 687 L HA 0.596 4.936 4.340 0.001 0.000 0.282 687 L C 0.488 177.335 176.870 -0.038 0.000 1.051 687 L CA -0.345 54.468 54.840 -0.044 0.000 0.804 687 L CB 1.620 43.645 42.059 -0.056 0.000 1.197 687 L HN 0.518 nan 8.230 nan 0.000 0.431 688 T N -0.712 113.833 114.554 -0.014 0.000 2.865 688 T HA 0.857 5.208 4.350 0.001 0.000 0.294 688 T C -0.459 174.236 174.700 -0.009 0.000 1.119 688 T CA -0.560 61.519 62.100 -0.035 0.000 1.007 688 T CB 2.198 71.022 68.868 -0.074 0.000 1.225 688 T HN 0.732 nan 8.240 nan 0.000 0.515 689 S N -0.886 114.800 115.700 -0.022 0.000 2.669 689 S HA 0.736 5.207 4.470 0.001 0.000 0.266 689 S C 0.929 175.521 174.600 -0.013 0.000 1.149 689 S CA -0.040 58.158 58.200 -0.004 0.000 0.842 689 S CB 0.511 63.710 63.200 -0.001 0.000 1.160 689 S HN 2.365 nan 8.310 nan 0.000 0.487 690 G N 1.229 110.029 108.800 -0.001 0.000 2.700 690 G HA2 -0.233 3.727 3.960 0.001 0.000 0.350 690 G HA3 -0.233 3.727 3.960 0.001 0.000 0.350 690 G C 0.803 175.697 174.900 -0.009 0.000 1.250 690 G CA 2.136 47.234 45.100 -0.003 0.000 0.978 690 G HN 2.165 nan 8.290 nan 0.000 0.551 691 E N 0.786 120.975 120.200 -0.018 0.000 2.419 691 E HA 0.361 4.712 4.350 0.001 0.000 0.190 691 E C 0.706 177.277 176.600 -0.048 0.000 1.040 691 E CA 0.836 57.222 56.400 -0.024 0.000 0.900 691 E CB -0.266 29.424 29.700 -0.017 0.000 1.054 691 E HN 0.585 nan 8.360 nan 0.000 0.462 692 D N 1.220 121.579 120.400 -0.067 0.000 2.419 692 D HA 0.155 4.796 4.640 0.001 0.000 0.236 692 D C 0.187 176.395 176.300 -0.155 0.000 1.165 692 D CA 0.501 54.435 54.000 -0.110 0.000 0.882 692 D CB 0.787 41.509 40.800 -0.130 0.000 1.201 692 D HN 0.499 nan 8.370 nan 0.000 0.443 693 E N -0.572 119.511 120.200 -0.196 0.000 2.299 693 E HA 0.575 4.926 4.350 0.001 0.000 0.260 693 E C -0.768 175.588 176.600 -0.407 0.000 0.944 693 E CA -1.131 55.108 56.400 -0.268 0.000 0.815 693 E CB 2.314 31.901 29.700 -0.189 0.000 1.252 693 E HN 0.255 nan 8.360 nan 0.000 0.418 694 V N -1.532 118.021 119.914 -0.601 0.000 2.789 694 V HA 0.647 4.768 4.120 0.001 0.000 0.311 694 V C -0.742 175.008 176.094 -0.573 0.000 1.073 694 V CA -0.833 61.068 62.300 -0.665 0.000 0.921 694 V CB 1.628 32.840 31.823 -1.017 0.000 1.009 694 V HN 0.611 nan 8.190 nan 0.000 0.426 695 M N 4.960 124.367 119.600 -0.323 0.000 2.321 695 M HA 0.647 5.128 4.480 0.001 0.000 0.315 695 M C -1.297 174.934 176.300 -0.115 0.000 1.052 695 M CA -0.375 54.779 55.300 -0.244 0.000 0.936 695 M CB 2.220 34.729 32.600 -0.152 0.000 1.639 695 M HN 0.584 nan 8.290 nan 0.000 0.433 696 L N 3.367 124.488 121.223 -0.170 0.000 2.341 696 L HA 0.660 5.001 4.340 0.001 0.000 0.278 696 L C -1.323 175.461 176.870 -0.144 0.000 1.005 696 L CA -0.449 54.392 54.840 0.002 0.000 0.818 696 L CB 1.367 43.483 42.059 0.094 0.000 1.259 696 L HN 0.582 nan 8.230 nan 0.000 0.418 697 F N 0.649 120.624 119.950 0.042 0.000 2.495 697 F HA 0.530 5.058 4.527 0.001 0.000 0.327 697 F C 0.543 176.374 175.800 0.051 0.000 1.103 697 F CA -0.625 57.405 58.000 0.049 0.000 0.949 697 F CB 2.333 41.354 39.000 0.034 0.000 1.142 697 F HN 0.458 nan 8.300 nan 0.000 0.457 698 S N 1.153 116.978 115.700 0.208 0.000 2.664 698 S HA 0.716 5.186 4.470 0.001 0.000 0.304 698 S C 0.639 175.318 174.600 0.132 0.000 1.099 698 S CA -0.310 57.974 58.200 0.139 0.000 1.003 698 S CB 1.702 64.956 63.200 0.090 0.000 1.092 698 S HN 0.791 nan 8.310 nan 0.000 0.525 699 A N 0.617 123.495 122.820 0.096 0.000 2.015 699 A HA 0.165 4.485 4.320 0.001 0.000 0.219 699 A C 2.096 179.722 177.584 0.070 0.000 1.163 699 A CA 1.613 53.697 52.037 0.079 0.000 0.646 699 A CB -1.670 17.367 19.000 0.061 0.000 0.806 699 A HN 1.232 nan 8.150 nan 0.000 0.448 700 E N -1.187 119.051 120.200 0.064 0.000 2.511 700 E HA 0.323 4.674 4.350 0.001 0.000 0.196 700 E C 1.494 178.128 176.600 0.057 0.000 1.066 700 E CA 1.070 57.501 56.400 0.051 0.000 0.871 700 E CB -1.333 28.391 29.700 0.040 0.000 0.863 700 E HN 1.916 nan 8.360 nan 0.000 0.520 701 G N 0.023 108.873 108.800 0.084 0.000 2.141 701 G HA2 -0.192 3.769 3.960 0.001 0.000 0.231 701 G HA3 -0.192 3.769 3.960 0.001 0.000 0.231 701 G C 0.440 175.399 174.900 0.098 0.000 0.984 701 G CA 0.261 45.419 45.100 0.097 0.000 0.660 701 G HN 0.381 nan 8.290 nan 0.000 0.525 702 K N -0.147 120.303 120.400 0.084 0.000 2.087 702 K HA 0.836 5.157 4.320 0.001 0.000 0.255 702 K C -0.124 176.491 176.600 0.025 0.000 0.988 702 K CA -0.548 55.770 56.287 0.050 0.000 0.915 702 K CB 2.373 34.894 32.500 0.034 0.000 1.043 702 K HN 0.631 nan 8.250 nan 0.000 0.457 703 V N 0.083 119.970 119.914 -0.046 0.000 3.216 703 V HA 0.617 4.738 4.120 0.001 0.000 0.302 703 V C -1.745 174.271 176.094 -0.130 0.000 1.286 703 V CA -0.788 61.381 62.300 -0.218 0.000 1.048 703 V CB 2.468 34.075 31.823 -0.360 0.000 1.081 703 V HN 0.476 nan 8.190 nan 0.000 0.442 704 V N 4.446 124.259 119.914 -0.168 0.000 3.048 704 V HA 0.775 4.896 4.120 0.001 0.000 0.303 704 V C -1.127 174.948 176.094 -0.032 0.000 1.214 704 V CA -0.531 61.761 62.300 -0.013 0.000 0.984 704 V CB 2.161 34.044 31.823 0.101 0.000 1.054 704 V HN 1.105 nan 8.190 nan 0.000 0.430 705 R N 5.300 125.829 120.500 0.047 0.000 2.514 705 R HA 0.719 5.059 4.340 0.001 0.000 0.296 705 R C -1.832 174.518 176.300 0.083 0.000 1.012 705 R CA -0.350 55.722 56.100 -0.047 0.000 0.897 705 R CB 1.655 31.924 30.300 -0.052 0.000 1.184 705 R HN 0.737 nan 8.270 nan 0.000 0.440 706 F N 0.167 120.085 119.950 -0.054 0.000 2.754 706 F HA 0.577 5.104 4.527 0.001 0.000 0.320 706 F C -1.160 174.605 175.800 -0.059 0.000 1.156 706 F CA -1.381 56.596 58.000 -0.039 0.000 0.950 706 F CB 1.006 39.997 39.000 -0.016 0.000 1.388 706 F HN 0.137 nan 8.300 nan 0.000 0.485 707 K N 1.131 121.650 120.400 0.197 0.000 2.174 707 K HA 0.104 4.425 4.320 0.001 0.000 0.275 707 K C 0.777 177.454 176.600 0.127 0.000 1.015 707 K CA -0.487 55.842 56.287 0.069 0.000 0.933 707 K CB 1.524 34.068 32.500 0.072 0.000 1.025 707 K HN 0.801 nan 8.250 nan 0.000 0.463 708 E N 1.655 121.843 120.200 -0.020 0.000 2.204 708 E HA -0.158 4.193 4.350 0.001 0.000 0.194 708 E C 1.224 177.904 176.600 0.132 0.000 0.989 708 E CA 1.446 57.859 56.400 0.022 0.000 0.824 708 E CB 0.228 29.873 29.700 -0.092 0.000 0.756 708 E HN 0.651 nan 8.360 nan 0.000 0.477 709 S N 0.092 115.847 115.700 0.092 0.000 2.515 709 S HA -0.071 4.400 4.470 0.001 0.000 0.231 709 S C 1.843 176.504 174.600 0.102 0.000 0.987 709 S CA 0.883 59.135 58.200 0.088 0.000 0.936 709 S CB -0.281 62.952 63.200 0.056 0.000 0.766 709 S HN 0.219 nan 8.310 nan 0.000 0.528 710 S N 0.288 116.070 115.700 0.135 0.000 2.701 710 S HA 0.354 4.825 4.470 0.001 0.000 0.220 710 S C 0.149 174.812 174.600 0.105 0.000 0.954 710 S CA -0.512 57.752 58.200 0.107 0.000 0.936 710 S CB -0.297 62.967 63.200 0.106 0.000 0.777 710 S HN 0.280 nan 8.310 nan 0.000 0.518 711 V N 1.299 121.303 119.914 0.151 0.000 2.531 711 V HA 0.748 4.868 4.120 0.001 0.000 0.301 711 V C 0.361 176.522 176.094 0.111 0.000 1.034 711 V CA -0.813 61.574 62.300 0.145 0.000 0.865 711 V CB 1.499 33.484 31.823 0.270 0.000 0.995 711 V HN 0.551 nan 8.190 nan 0.000 0.424 712 R N 3.003 123.543 120.500 0.067 0.000 2.357 712 R HA 0.827 5.168 4.340 0.001 0.000 0.296 712 R C 0.430 176.760 176.300 0.049 0.000 1.052 712 R CA 0.124 56.256 56.100 0.053 0.000 0.988 712 R CB 0.493 30.813 30.300 0.032 0.000 1.025 712 R HN 1.502 nan 8.270 nan 0.000 0.469 713 A N 2.539 125.391 122.820 0.054 0.000 2.540 713 A HA 0.543 4.864 4.320 0.001 0.000 0.239 713 A C 0.300 177.903 177.584 0.032 0.000 1.061 713 A CA 0.420 52.488 52.037 0.052 0.000 0.758 713 A CB -0.046 18.990 19.000 0.060 0.000 0.991 713 A HN 0.878 nan 8.150 nan 0.000 0.502 714 M N 1.327 120.942 119.600 0.026 0.000 2.745 714 M HA 0.552 5.033 4.480 0.001 0.000 0.290 714 M C 0.626 176.928 176.300 0.002 0.000 1.262 714 M CA -0.406 54.899 55.300 0.008 0.000 0.795 714 M CB 2.109 34.708 32.600 -0.003 0.000 1.758 714 M HN 0.761 nan 8.290 nan 0.000 0.461 715 G N -0.641 108.149 108.800 -0.017 0.000 2.477 715 G HA2 0.363 4.324 3.960 0.001 0.000 0.304 715 G HA3 0.363 4.324 3.960 0.001 0.000 0.304 715 G C 0.515 175.382 174.900 -0.056 0.000 1.175 715 G CA -0.678 44.396 45.100 -0.042 0.000 0.907 715 G HN 0.938 nan 8.290 nan 0.000 0.509 716 C N 0.006 119.242 119.300 -0.106 0.000 2.413 716 C HA -0.079 4.381 4.460 0.001 0.000 0.277 716 C C 1.973 176.919 174.990 -0.074 0.000 1.265 716 C CA 0.378 59.325 59.018 -0.119 0.000 1.752 716 C CB -0.641 26.961 27.740 -0.231 0.000 1.998 716 C HN 0.646 nan 8.230 nan 0.000 0.489 717 N N 1.221 119.879 118.700 -0.070 0.000 2.484 717 N HA 0.029 4.770 4.740 0.001 0.000 0.245 717 N C 0.435 175.923 175.510 -0.036 0.000 1.184 717 N CA 0.368 53.387 53.050 -0.052 0.000 0.884 717 N CB 0.130 38.585 38.487 -0.054 0.000 1.182 717 N HN 0.749 nan 8.380 nan 0.000 0.493 718 T N -4.714 109.822 114.554 -0.030 0.000 2.807 718 T HA 0.375 4.726 4.350 0.001 0.000 0.277 718 T C 1.168 175.857 174.700 -0.019 0.000 1.006 718 T CA -0.489 61.597 62.100 -0.023 0.000 1.006 718 T CB 1.694 70.549 68.868 -0.022 0.000 1.274 718 T HN -0.175 nan 8.240 nan 0.000 0.569 719 T N -0.271 114.271 114.554 -0.019 0.000 3.004 719 T HA 0.573 4.923 4.350 0.001 0.000 0.243 719 T C 0.982 175.666 174.700 -0.026 0.000 1.020 719 T CA 0.792 62.881 62.100 -0.018 0.000 1.145 719 T CB -0.664 68.195 68.868 -0.015 0.000 0.876 719 T HN 1.479 nan 8.240 nan 0.000 0.449 720 G N 0.845 109.628 108.800 -0.029 0.000 2.541 720 G HA2 0.109 4.070 3.960 0.001 0.000 0.686 720 G HA3 0.109 4.070 3.960 0.001 0.000 0.686 720 G C -0.556 174.325 174.900 -0.032 0.000 1.286 720 G CA -0.570 44.506 45.100 -0.041 0.000 0.894 720 G HN 0.912 nan 8.290 nan 0.000 0.575 721 V N -2.122 117.772 119.914 -0.034 0.000 3.284 721 V HA 0.947 5.068 4.120 0.001 0.000 0.309 721 V C 0.786 176.866 176.094 -0.024 0.000 1.190 721 V CA -0.385 61.899 62.300 -0.026 0.000 1.038 721 V CB 1.726 33.534 31.823 -0.024 0.000 1.198 721 V HN 1.251 nan 8.190 nan 0.000 0.465 722 R N -0.302 120.178 120.500 -0.034 0.000 2.349 722 R HA 0.578 4.919 4.340 0.001 0.000 0.299 722 R C 0.795 177.058 176.300 -0.062 0.000 1.027 722 R CA 0.449 56.529 56.100 -0.033 0.000 0.958 722 R CB 1.372 31.649 30.300 -0.038 0.000 1.047 722 R HN 1.065 nan 8.270 nan 0.000 0.468 723 G N 4.384 113.178 108.800 -0.009 0.000 2.747 723 G HA2 0.138 4.099 3.960 0.001 0.000 0.202 723 G HA3 0.138 4.099 3.960 0.001 0.000 0.202 723 G C 0.078 174.976 174.900 -0.003 0.000 1.090 723 G CA 0.007 45.105 45.100 -0.004 0.000 0.779 723 G HN 0.519 nan 8.290 nan 0.000 0.535 724 I N 0.416 121.009 120.570 0.038 0.000 2.692 724 I HA 0.443 4.614 4.170 0.001 0.000 0.293 724 I C -0.960 175.167 176.117 0.017 0.000 1.200 724 I CA -1.110 60.212 61.300 0.035 0.000 1.036 724 I CB 2.285 40.333 38.000 0.080 0.000 1.258 724 I HN -0.082 nan 8.210 nan 0.000 0.421 725 R N 7.576 128.078 120.500 0.003 0.000 2.248 725 R HA 0.513 4.854 4.340 0.001 0.000 0.337 725 R C -1.063 175.244 176.300 0.012 0.000 1.106 725 R CA -0.232 55.870 56.100 0.002 0.000 0.959 725 R CB -0.602 29.693 30.300 -0.008 0.000 1.075 725 R HN 0.583 nan 8.270 nan 0.000 0.480 726 L N 3.899 125.132 121.223 0.017 0.000 2.350 726 L HA 0.547 4.888 4.340 0.001 0.000 0.275 726 L C 1.663 178.543 176.870 0.017 0.000 1.099 726 L CA -0.237 54.616 54.840 0.022 0.000 0.808 726 L CB 1.424 43.500 42.059 0.029 0.000 1.149 726 L HN 0.790 nan 8.230 nan 0.000 0.442 727 G N 0.914 109.725 108.800 0.017 0.000 2.611 727 G HA2 0.395 4.356 3.960 0.001 0.000 0.273 727 G HA3 0.395 4.356 3.960 0.001 0.000 0.273 727 G C -0.070 174.839 174.900 0.015 0.000 1.305 727 G CA -0.084 45.024 45.100 0.014 0.000 1.010 727 G HN 0.729 nan 8.290 nan 0.000 0.509 728 E N -1.392 118.816 120.200 0.013 0.000 2.384 728 E HA 0.445 4.796 4.350 0.001 0.000 0.266 728 E C 1.423 178.033 176.600 0.016 0.000 1.012 728 E CA 0.445 56.853 56.400 0.013 0.000 0.901 728 E CB 0.052 29.759 29.700 0.010 0.000 0.967 728 E HN 2.341 nan 8.360 nan 0.000 0.435 729 G N 1.666 110.476 108.800 0.017 0.000 2.189 729 G HA2 -0.266 3.695 3.960 0.001 0.000 0.267 729 G HA3 -0.266 3.695 3.960 0.001 0.000 0.267 729 G C 0.454 175.368 174.900 0.025 0.000 0.975 729 G CA 0.604 45.716 45.100 0.020 0.000 0.644 729 G HN 0.863 nan 8.290 nan 0.000 0.537 730 D N 0.897 121.313 120.400 0.026 0.000 2.387 730 D HA 0.670 5.311 4.640 0.001 0.000 0.251 730 D C 0.537 176.859 176.300 0.038 0.000 1.141 730 D CA 0.263 54.283 54.000 0.033 0.000 0.987 730 D CB 0.720 41.541 40.800 0.034 0.000 1.116 730 D HN 0.699 nan 8.370 nan 0.000 0.491 731 K N -1.269 119.159 120.400 0.047 0.000 2.597 731 K HA 0.450 4.771 4.320 0.001 0.000 0.282 731 K C -1.688 174.953 176.600 0.069 0.000 0.975 731 K CA -0.984 55.334 56.287 0.052 0.000 0.867 731 K CB 0.874 33.402 32.500 0.046 0.000 1.465 731 K HN 0.068 nan 8.250 nan 0.000 0.417 732 V N 2.555 122.514 119.914 0.074 0.000 2.488 732 V HA 0.078 4.199 4.120 0.001 0.000 0.277 732 V C 1.088 177.239 176.094 0.095 0.000 1.046 732 V CA -0.096 62.262 62.300 0.097 0.000 0.986 732 V CB 1.003 32.886 31.823 0.100 0.000 0.989 732 V HN 0.737 nan 8.190 nan 0.000 0.475 733 V N 1.351 121.333 119.914 0.113 0.000 3.523 733 V HA 0.401 4.522 4.120 0.001 0.000 0.255 733 V C 0.617 176.757 176.094 0.077 0.000 1.226 733 V CA 0.394 62.746 62.300 0.086 0.000 1.092 733 V CB 0.510 32.377 31.823 0.074 0.000 0.817 733 V HN 0.667 nan 8.190 nan 0.000 0.458 734 S N 0.265 116.036 115.700 0.119 0.000 2.588 734 S HA 0.778 5.249 4.470 0.001 0.000 0.275 734 S C -1.343 173.360 174.600 0.171 0.000 1.130 734 S CA -0.470 57.779 58.200 0.083 0.000 0.855 734 S CB 2.599 65.760 63.200 -0.065 0.000 1.116 734 S HN 0.421 nan 8.310 nan 0.000 0.472 735 L N 2.713 124.000 121.223 0.106 0.000 2.386 735 L HA 0.711 5.051 4.340 0.001 0.000 0.271 735 L C -1.929 174.977 176.870 0.061 0.000 0.993 735 L CA -0.739 54.170 54.840 0.114 0.000 0.819 735 L CB 1.088 43.198 42.059 0.086 0.000 1.294 735 L HN 0.709 nan 8.230 nan 0.000 0.414 736 I N 4.974 125.580 120.570 0.061 0.000 2.571 736 I HA 0.260 4.431 4.170 0.001 0.000 0.289 736 I C -0.867 175.204 176.117 -0.077 0.000 1.115 736 I CA -0.673 60.626 61.300 -0.001 0.000 1.045 736 I CB 2.457 40.482 38.000 0.041 0.000 1.238 736 I HN 0.219 nan 8.210 nan 0.000 0.424 737 V N 7.992 127.841 119.914 -0.108 0.000 2.259 737 V HA 0.237 4.358 4.120 0.001 0.000 0.267 737 V C -1.872 174.152 176.094 -0.117 0.000 1.051 737 V CA -1.546 60.659 62.300 -0.158 0.000 0.830 737 V CB 0.984 32.706 31.823 -0.169 0.000 1.080 737 V HN 0.548 nan 8.190 nan 0.000 0.467 738 P HA 0.109 nan 4.420 nan 0.000 0.261 738 P C -0.505 176.749 177.300 -0.076 0.000 1.183 738 P CA 0.264 63.310 63.100 -0.089 0.000 0.761 738 P CB 0.588 32.233 31.700 -0.092 0.000 0.785 739 R N 2.124 122.587 120.500 -0.061 0.000 2.564 739 R HA 0.630 4.970 4.340 0.001 0.000 0.284 739 R C 0.232 176.510 176.300 -0.037 0.000 1.031 739 R CA -0.328 55.742 56.100 -0.049 0.000 0.904 739 R CB 2.259 32.530 30.300 -0.048 0.000 1.199 739 R HN 0.821 nan 8.270 nan 0.000 0.443 740 G N 0.340 109.123 108.800 -0.029 0.000 2.660 740 G HA2 -0.249 3.712 3.960 0.001 0.000 0.215 740 G HA3 -0.249 3.712 3.960 0.001 0.000 0.215 740 G C -0.121 174.769 174.900 -0.017 0.000 1.345 740 G CA -0.013 45.074 45.100 -0.021 0.000 0.877 740 G HN 0.697 nan 8.290 nan 0.000 0.549 741 D N -0.120 120.274 120.400 -0.011 0.000 2.433 741 D HA 0.631 5.272 4.640 0.001 0.000 0.211 741 D C 1.438 177.736 176.300 -0.002 0.000 1.114 741 D CA 1.180 55.177 54.000 -0.004 0.000 0.837 741 D CB 0.261 41.061 40.800 -0.000 0.000 0.984 741 D HN 1.615 nan 8.370 nan 0.000 0.505 742 G N -0.216 108.578 108.800 -0.010 0.000 2.614 742 G HA2 0.497 4.458 3.960 0.001 0.000 0.239 742 G HA3 0.497 4.458 3.960 0.001 0.000 0.239 742 G C 0.631 175.528 174.900 -0.006 0.000 1.240 742 G CA 0.457 45.552 45.100 -0.009 0.000 0.842 742 G HN 0.826 nan 8.290 nan 0.000 0.584 743 A N 0.519 123.340 122.820 0.001 0.000 2.272 743 A HA 0.616 4.937 4.320 0.001 0.000 0.275 743 A C 0.146 177.725 177.584 -0.008 0.000 1.096 743 A CA -0.497 51.550 52.037 0.016 0.000 0.822 743 A CB 0.445 19.463 19.000 0.030 0.000 1.088 743 A HN 0.504 nan 8.150 nan 0.000 0.495 744 I N 0.937 121.511 120.570 0.008 0.000 2.336 744 I HA 0.352 4.523 4.170 0.001 0.000 0.292 744 I C -0.231 175.883 176.117 -0.004 0.000 0.991 744 I CA -0.027 61.244 61.300 -0.048 0.000 1.227 744 I CB 0.839 38.763 38.000 -0.127 0.000 1.366 744 I HN 0.588 nan 8.210 nan 0.000 0.466 745 L N 6.106 127.294 121.223 -0.058 0.000 2.362 745 L HA 0.641 4.982 4.340 0.001 0.000 0.275 745 L C -0.470 176.356 176.870 -0.074 0.000 0.998 745 L CA 0.002 54.820 54.840 -0.036 0.000 0.820 745 L CB 2.039 44.077 42.059 -0.036 0.000 1.270 745 L HN 0.665 nan 8.230 nan 0.000 0.415 746 T N 3.341 117.879 114.554 -0.027 0.000 2.906 746 T HA 0.872 5.223 4.350 0.001 0.000 0.295 746 T C -1.260 173.445 174.700 0.007 0.000 1.061 746 T CA -0.117 61.961 62.100 -0.036 0.000 1.000 746 T CB 1.696 70.565 68.868 0.000 0.000 1.103 746 T HN 0.852 nan 8.240 nan 0.000 0.486 747 A N 1.921 124.745 122.820 0.007 0.000 2.498 747 A HA 0.864 5.185 4.320 0.001 0.000 0.298 747 A C 0.121 177.736 177.584 0.051 0.000 1.075 747 A CA -0.580 51.476 52.037 0.033 0.000 0.714 747 A CB 1.577 20.584 19.000 0.013 0.000 1.299 747 A HN 1.090 nan 8.150 nan 0.000 0.407 748 T N -1.309 113.293 114.554 0.082 0.000 2.949 748 T HA 0.433 4.784 4.350 0.001 0.000 0.287 748 T C 0.702 175.452 174.700 0.083 0.000 1.034 748 T CA -0.396 61.756 62.100 0.086 0.000 1.018 748 T CB 1.096 70.030 68.868 0.110 0.000 1.135 748 T HN 0.584 nan 8.240 nan 0.000 0.532 749 Q N 0.186 120.030 119.800 0.073 0.000 2.234 749 Q HA -0.060 4.281 4.340 0.001 0.000 0.206 749 Q C 1.237 177.285 176.000 0.081 0.000 0.980 749 Q CA 1.429 57.271 55.803 0.065 0.000 0.869 749 Q CB -0.346 28.424 28.738 0.053 0.000 0.912 749 Q HN 0.678 nan 8.270 nan 0.000 0.436 750 N N -0.852 117.925 118.700 0.130 0.000 2.320 750 N HA 0.143 4.883 4.740 0.001 0.000 0.237 750 N C 0.157 175.769 175.510 0.169 0.000 1.129 750 N CA 0.138 53.291 53.050 0.172 0.000 0.854 750 N CB 0.915 39.541 38.487 0.232 0.000 1.083 750 N HN 0.311 nan 8.380 nan 0.000 0.504 751 G N 0.251 109.102 108.800 0.085 0.000 2.159 751 G HA2 -0.309 3.652 3.960 0.001 0.000 0.256 751 G HA3 -0.309 3.652 3.960 0.001 0.000 0.256 751 G C -0.270 174.564 174.900 -0.110 0.000 0.977 751 G CA 0.032 45.111 45.100 -0.035 0.000 0.652 751 G HN 0.324 nan 8.290 nan 0.000 0.531 752 Y N 0.304 120.607 120.300 0.005 0.000 2.374 752 Y HA 0.600 5.151 4.550 0.001 0.000 0.322 752 Y C 1.139 177.043 175.900 0.007 0.000 1.275 752 Y CA 0.668 58.772 58.100 0.006 0.000 1.307 752 Y CB 1.783 40.249 38.460 0.010 0.000 1.282 752 Y HN 0.521 nan 8.280 nan 0.000 0.509 753 G N 0.521 109.417 108.800 0.161 0.000 2.490 753 G HA2 0.615 4.576 3.960 0.001 0.000 0.308 753 G HA3 0.615 4.576 3.960 0.001 0.000 0.308 753 G C -1.798 173.152 174.900 0.083 0.000 1.286 753 G CA -0.933 44.224 45.100 0.095 0.000 0.825 753 G HN 0.723 nan 8.290 nan 0.000 0.479 754 K N -1.601 118.835 120.400 0.059 0.000 3.073 754 K HA 0.582 4.903 4.320 0.001 0.000 0.300 754 K C -1.707 174.924 176.600 0.052 0.000 1.082 754 K CA -1.110 55.211 56.287 0.056 0.000 0.803 754 K CB 0.925 33.466 32.500 0.070 0.000 1.488 754 K HN 0.611 nan 8.250 nan 0.000 0.372 755 R N 0.499 121.031 120.500 0.054 0.000 2.575 755 R HA 0.508 4.849 4.340 0.001 0.000 0.293 755 R C -1.324 175.026 176.300 0.083 0.000 0.983 755 R CA -0.933 55.202 56.100 0.059 0.000 0.887 755 R CB 2.628 32.950 30.300 0.036 0.000 1.184 755 R HN 0.692 nan 8.270 nan 0.000 0.445 756 T N 1.141 115.775 114.554 0.133 0.000 2.876 756 T HA 0.431 4.782 4.350 0.001 0.000 0.289 756 T C -0.386 174.427 174.700 0.188 0.000 1.014 756 T CA -0.655 61.540 62.100 0.160 0.000 0.986 756 T CB 1.880 70.875 68.868 0.211 0.000 1.021 756 T HN 0.681 nan 8.240 nan 0.000 0.458 757 A N 2.135 125.035 122.820 0.134 0.000 2.511 757 A HA 0.292 4.613 4.320 0.001 0.000 0.242 757 A C 1.801 179.506 177.584 0.202 0.000 1.069 757 A CA -0.197 51.912 52.037 0.121 0.000 0.763 757 A CB -0.151 18.894 19.000 0.076 0.000 1.001 757 A HN 1.099 nan 8.150 nan 0.000 0.498 758 V N 0.601 120.603 119.914 0.147 0.000 2.594 758 V HA -0.142 3.979 4.120 0.001 0.000 0.253 758 V C 2.196 178.400 176.094 0.184 0.000 1.069 758 V CA 2.181 64.573 62.300 0.152 0.000 1.082 758 V CB -1.584 30.254 31.823 0.025 0.000 0.680 758 V HN 1.063 nan 8.190 nan 0.000 0.469 759 A N -0.027 122.865 122.820 0.120 0.000 2.121 759 A HA -0.115 4.206 4.320 0.001 0.000 0.218 759 A C 2.126 179.769 177.584 0.098 0.000 1.154 759 A CA 1.401 53.491 52.037 0.088 0.000 0.679 759 A CB -0.584 18.448 19.000 0.052 0.000 0.795 759 A HN 0.674 nan 8.150 nan 0.000 0.458 760 E N -1.332 118.945 120.200 0.128 0.000 2.445 760 E HA 0.047 4.398 4.350 0.001 0.000 0.189 760 E C -1.120 175.462 176.600 -0.031 0.000 1.069 760 E CA -0.242 56.180 56.400 0.038 0.000 0.871 760 E CB 0.012 29.708 29.700 -0.007 0.000 0.991 760 E HN 0.645 nan 8.360 nan 0.000 0.481 761 Y N 0.695 121.000 120.300 0.008 0.000 2.356 761 Y HA 0.307 4.857 4.550 0.001 0.000 0.334 761 Y C -2.168 173.724 175.900 -0.013 0.000 0.958 761 Y CA -2.952 55.147 58.100 -0.002 0.000 1.196 761 Y CB 1.211 39.672 38.460 0.002 0.000 1.137 761 Y HN 0.023 nan 8.280 nan 0.000 0.485 762 P HA 0.088 nan 4.420 nan 0.000 0.271 762 P C -0.488 176.845 177.300 0.054 0.000 1.220 762 P CA -0.155 62.973 63.100 0.045 0.000 0.768 762 P CB 0.631 32.338 31.700 0.012 0.000 0.848 763 T N 2.771 117.351 114.554 0.043 0.000 2.782 763 T HA 0.449 4.800 4.350 0.001 0.000 0.298 763 T C 0.872 175.604 174.700 0.053 0.000 0.944 763 T CA -0.164 61.962 62.100 0.043 0.000 1.001 763 T CB 0.073 68.959 68.868 0.030 0.000 0.932 763 T HN 0.421 nan 8.240 nan 0.000 0.524 764 K N 2.181 122.624 120.400 0.072 0.000 3.336 764 K HA 0.801 5.122 4.320 0.001 0.000 0.252 764 K C 0.543 177.198 176.600 0.091 0.000 1.031 764 K CA -0.456 55.870 56.287 0.066 0.000 1.690 764 K CB -0.126 32.405 32.500 0.051 0.000 2.591 764 K HN 0.487 nan 8.250 nan 0.000 0.798 765 S N -0.527 115.210 115.700 0.062 0.000 2.632 765 S HA 0.522 4.993 4.470 0.001 0.000 0.289 765 S C -0.261 174.271 174.600 -0.113 0.000 1.115 765 S CA -0.749 57.455 58.200 0.006 0.000 0.889 765 S CB 1.538 64.720 63.200 -0.030 0.000 1.116 765 S HN 0.735 nan 8.310 nan 0.000 0.486 766 R N 0.435 120.688 120.500 -0.412 0.000 2.668 766 R HA 0.650 4.990 4.340 0.001 0.000 0.268 766 R C 0.782 176.889 176.300 -0.321 0.000 1.232 766 R CA 0.177 55.850 56.100 -0.712 0.000 1.166 766 R CB -0.364 29.153 30.300 -1.305 0.000 1.179 766 R HN 0.983 nan 8.270 nan 0.000 0.606 767 A N -1.294 121.365 122.820 -0.268 0.000 3.052 767 A HA -0.246 4.074 4.320 0.001 0.000 0.271 767 A C 0.703 178.239 177.584 -0.079 0.000 1.246 767 A CA 1.996 53.953 52.037 -0.134 0.000 0.966 767 A CB -2.681 16.246 19.000 -0.122 0.000 1.024 767 A HN 1.046 nan 8.150 nan 0.000 0.736 768 T N -3.967 110.544 114.554 -0.072 0.000 2.884 768 T HA 0.755 5.106 4.350 0.001 0.000 0.277 768 T C 0.397 175.088 174.700 -0.015 0.000 0.976 768 T CA 0.571 62.649 62.100 -0.036 0.000 0.956 768 T CB 1.235 70.085 68.868 -0.029 0.000 1.113 768 T HN 1.583 nan 8.240 nan 0.000 0.554 769 K N -0.698 119.697 120.400 -0.008 0.000 2.318 769 K HA 0.749 5.070 4.320 0.001 0.000 0.243 769 K C 0.582 177.185 176.600 0.004 0.000 1.047 769 K CA -0.450 55.837 56.287 0.000 0.000 0.937 769 K CB -0.206 32.293 32.500 -0.001 0.000 1.225 769 K HN 1.206 nan 8.250 nan 0.000 0.506 770 G N -1.151 107.652 108.800 0.005 0.000 2.630 770 G HA2 0.582 4.543 3.960 0.001 0.000 0.296 770 G HA3 0.582 4.543 3.960 0.001 0.000 0.296 770 G C -0.010 174.888 174.900 -0.003 0.000 1.285 770 G CA 0.100 45.201 45.100 0.002 0.000 0.958 770 G HN 1.376 nan 8.290 nan 0.000 0.479 771 V N -1.876 118.032 119.914 -0.009 0.000 3.336 771 V HA 0.689 4.809 4.120 0.001 0.000 0.304 771 V C 0.558 176.642 176.094 -0.018 0.000 1.073 771 V CA -0.782 61.506 62.300 -0.020 0.000 1.074 771 V CB 1.073 32.875 31.823 -0.034 0.000 1.161 771 V HN 0.576 nan 8.190 nan 0.000 0.460 772 I N 1.692 122.245 120.570 -0.027 0.000 2.428 772 I HA 0.354 4.525 4.170 0.001 0.000 0.289 772 I C 1.392 177.495 176.117 -0.023 0.000 1.019 772 I CA 0.658 61.951 61.300 -0.012 0.000 1.351 772 I CB 0.313 38.305 38.000 -0.013 0.000 1.412 772 I HN 1.044 nan 8.210 nan 0.000 0.513 773 S N 3.821 119.554 115.700 0.054 0.000 2.506 773 S HA 0.397 4.868 4.470 0.001 0.000 0.230 773 S C 0.383 175.050 174.600 0.111 0.000 1.066 773 S CA 0.221 58.501 58.200 0.133 0.000 0.940 773 S CB 0.147 63.572 63.200 0.374 0.000 0.818 773 S HN 0.626 nan 8.310 nan 0.000 0.518 774 I N 0.526 121.154 120.570 0.097 0.000 2.841 774 I HA 0.538 4.709 4.170 0.001 0.000 0.298 774 I C -1.042 175.100 176.117 0.041 0.000 1.304 774 I CA -0.666 60.676 61.300 0.069 0.000 1.019 774 I CB 1.755 39.810 38.000 0.092 0.000 1.282 774 I HN -0.002 nan 8.210 nan 0.000 0.432 775 K N 6.286 126.696 120.400 0.017 0.000 2.273 775 K HA 0.587 4.908 4.320 0.001 0.000 0.287 775 K C -0.748 175.845 176.600 -0.011 0.000 1.089 775 K CA -0.345 55.942 56.287 -0.000 0.000 0.909 775 K CB 0.267 32.758 32.500 -0.014 0.000 1.123 775 K HN 0.444 nan 8.250 nan 0.000 0.473 776 V N 2.174 122.088 119.914 -0.001 0.000 2.963 776 V HA 0.475 4.596 4.120 0.001 0.000 0.306 776 V C 0.747 176.824 176.094 -0.028 0.000 1.077 776 V CA -0.034 62.261 62.300 -0.009 0.000 1.124 776 V CB 1.339 33.168 31.823 0.010 0.000 0.987 776 V HN 1.009 nan 8.190 nan 0.000 0.487 777 T N 1.245 115.773 114.554 -0.043 0.000 2.749 777 T HA 0.423 4.774 4.350 0.001 0.000 0.310 777 T C 0.810 175.481 174.700 -0.049 0.000 1.496 777 T CA 0.061 62.130 62.100 -0.052 0.000 1.006 777 T CB 1.552 70.370 68.868 -0.084 0.000 1.457 777 T HN 0.782 nan 8.240 nan 0.000 0.497 778 E N 0.050 120.227 120.200 -0.039 0.000 2.268 778 E HA -0.031 4.320 4.350 0.001 0.000 0.195 778 E C 2.221 178.799 176.600 -0.038 0.000 0.995 778 E CA 2.024 58.409 56.400 -0.025 0.000 0.836 778 E CB -0.784 28.906 29.700 -0.016 0.000 0.763 778 E HN 0.706 nan 8.360 nan 0.000 0.491 779 R N 0.779 121.232 120.500 -0.079 0.000 2.062 779 R HA 0.020 4.361 4.340 0.001 0.000 0.226 779 R C 2.242 178.427 176.300 -0.193 0.000 1.125 779 R CA 1.538 57.563 56.100 -0.124 0.000 0.966 779 R CB -1.306 28.884 30.300 -0.184 0.000 0.861 779 R HN 0.692 nan 8.270 nan 0.000 0.433 780 N N -1.151 117.406 118.700 -0.238 0.000 2.047 780 N HA 0.193 4.934 4.740 0.001 0.000 0.193 780 N C 0.868 176.366 175.510 -0.019 0.000 1.055 780 N CA 1.161 54.084 53.050 -0.213 0.000 0.847 780 N CB 0.038 38.429 38.487 -0.159 0.000 1.038 780 N HN 0.759 nan 8.380 nan 0.000 0.427 781 G N -0.245 108.548 108.800 -0.011 0.000 2.525 781 G HA2 -0.117 3.844 3.960 0.001 0.000 0.685 781 G HA3 -0.117 3.844 3.960 0.001 0.000 0.685 781 G C -1.044 173.873 174.900 0.029 0.000 1.290 781 G CA -0.887 44.227 45.100 0.024 0.000 0.915 781 G HN 0.127 nan 8.290 nan 0.000 0.548 782 L N -0.125 121.119 121.223 0.036 0.000 2.436 782 L HA 0.445 4.786 4.340 0.001 0.000 0.265 782 L C 1.252 178.152 176.870 0.051 0.000 1.168 782 L CA -0.923 53.942 54.840 0.041 0.000 0.815 782 L CB 1.025 43.108 42.059 0.040 0.000 1.109 782 L HN 0.497 nan 8.230 nan 0.000 0.462 783 V N 3.163 123.112 119.914 0.058 0.000 2.585 783 V HA -0.038 4.083 4.120 0.001 0.000 0.296 783 V C 1.005 177.130 176.094 0.051 0.000 1.035 783 V CA -0.035 62.302 62.300 0.062 0.000 1.084 783 V CB 1.340 33.215 31.823 0.087 0.000 0.953 783 V HN 0.626 nan 8.190 nan 0.000 0.483 784 V N 3.237 123.173 119.914 0.037 0.000 2.992 784 V HA 0.476 4.597 4.120 0.001 0.000 0.250 784 V C 1.006 177.107 176.094 0.012 0.000 1.090 784 V CA 1.329 63.646 62.300 0.028 0.000 1.101 784 V CB -0.220 31.619 31.823 0.025 0.000 0.743 784 V HN 1.134 nan 8.190 nan 0.000 0.468 785 G N -1.155 107.635 108.800 -0.017 0.000 2.316 785 G HA2 0.653 4.614 3.960 0.001 0.000 0.296 785 G HA3 0.653 4.614 3.960 0.001 0.000 0.296 785 G C -1.737 173.063 174.900 -0.166 0.000 1.399 785 G CA 0.102 45.159 45.100 -0.071 0.000 0.833 785 G HN 0.644 nan 8.290 nan 0.000 0.565 786 A N -1.440 121.189 122.820 -0.318 0.000 2.587 786 A HA 1.036 5.356 4.320 0.001 0.000 0.293 786 A C -1.285 176.054 177.584 -0.407 0.000 1.087 786 A CA -0.269 51.489 52.037 -0.465 0.000 0.692 786 A CB 2.034 20.431 19.000 -1.004 0.000 1.291 786 A HN 2.249 nan 8.150 nan 0.000 0.407 787 V N 0.548 120.279 119.914 -0.304 0.000 3.147 787 V HA 0.468 4.588 4.120 0.001 0.000 0.299 787 V C -0.978 175.023 176.094 -0.155 0.000 1.302 787 V CA -0.440 61.737 62.300 -0.205 0.000 1.015 787 V CB 2.085 33.832 31.823 -0.126 0.000 1.086 787 V HN 1.160 nan 8.190 nan 0.000 0.437 788 Q N 2.287 122.015 119.800 -0.120 0.000 2.293 788 Q HA 0.703 5.044 4.340 0.001 0.000 0.251 788 Q C -1.390 174.574 176.000 -0.061 0.000 0.930 788 Q CA -0.083 55.667 55.803 -0.087 0.000 0.893 788 Q CB 1.781 30.473 28.738 -0.077 0.000 1.215 788 Q HN 0.726 nan 8.270 nan 0.000 0.425 789 V N 3.558 123.445 119.914 -0.045 0.000 2.969 789 V HA 0.290 4.411 4.120 0.001 0.000 0.304 789 V C -1.484 174.598 176.094 -0.021 0.000 1.192 789 V CA -0.830 61.451 62.300 -0.032 0.000 0.962 789 V CB 2.470 34.273 31.823 -0.033 0.000 1.045 789 V HN 0.909 nan 8.190 nan 0.000 0.428 790 D N 2.879 123.269 120.400 -0.017 0.000 2.312 790 D HA 0.315 4.956 4.640 0.001 0.000 0.248 790 D C 1.072 177.366 176.300 -0.009 0.000 1.086 790 D CA 0.686 54.680 54.000 -0.011 0.000 0.948 790 D CB 1.751 42.545 40.800 -0.009 0.000 1.162 790 D HN 0.814 nan 8.370 nan 0.000 0.446 791 D N -0.043 120.353 120.400 -0.006 0.000 2.265 791 D HA -0.149 4.491 4.640 0.001 0.000 0.208 791 D C 1.722 178.017 176.300 -0.008 0.000 0.977 791 D CA 1.468 55.465 54.000 -0.005 0.000 0.871 791 D CB -0.599 40.199 40.800 -0.003 0.000 0.925 791 D HN 0.534 nan 8.370 nan 0.000 0.485 792 C N -1.334 117.961 119.300 -0.008 0.000 2.906 792 C HA 0.364 4.824 4.460 0.001 0.000 0.274 792 C C 0.357 175.341 174.990 -0.011 0.000 1.257 792 C CA -1.124 57.889 59.018 -0.009 0.000 1.695 792 C CB -0.630 27.106 27.740 -0.006 0.000 1.958 792 C HN 0.324 nan 8.230 nan 0.000 0.619 793 D N 1.322 121.714 120.400 -0.013 0.000 2.414 793 D HA 0.352 4.993 4.640 0.001 0.000 0.251 793 D C -0.167 176.120 176.300 -0.022 0.000 1.252 793 D CA 0.335 54.325 54.000 -0.015 0.000 0.999 793 D CB 0.508 41.299 40.800 -0.016 0.000 1.093 793 D HN 0.548 nan 8.370 nan 0.000 0.515 794 Q N -0.524 119.260 119.800 -0.026 0.000 2.458 794 Q HA 0.693 5.034 4.340 0.001 0.000 0.282 794 Q C -0.537 175.438 176.000 -0.043 0.000 1.106 794 Q CA -0.853 54.927 55.803 -0.038 0.000 0.814 794 Q CB 2.769 31.480 28.738 -0.045 0.000 1.425 794 Q HN 0.458 nan 8.270 nan 0.000 0.437 795 I N -2.121 118.416 120.570 -0.055 0.000 2.934 795 I HA 0.724 4.895 4.170 0.001 0.000 0.306 795 I C -1.260 174.804 176.117 -0.087 0.000 1.110 795 I CA -1.353 59.912 61.300 -0.059 0.000 1.019 795 I CB 2.075 40.045 38.000 -0.049 0.000 1.227 795 I HN 0.532 nan 8.210 nan 0.000 0.434 796 M N 4.560 124.104 119.600 -0.093 0.000 2.311 796 M HA 0.639 5.120 4.480 0.001 0.000 0.325 796 M C -1.604 174.642 176.300 -0.091 0.000 1.061 796 M CA -0.282 54.932 55.300 -0.143 0.000 0.957 796 M CB 1.805 34.277 32.600 -0.214 0.000 1.646 796 M HN 0.711 nan 8.290 nan 0.000 0.434 797 M N 5.930 125.475 119.600 -0.093 0.000 2.326 797 M HA 0.668 5.149 4.480 0.001 0.000 0.306 797 M C -1.168 175.105 176.300 -0.044 0.000 1.054 797 M CA -0.884 54.386 55.300 -0.050 0.000 0.922 797 M CB 2.045 34.620 32.600 -0.042 0.000 1.632 797 M HN 0.636 nan 8.290 nan 0.000 0.436 798 I N -1.008 119.559 120.570 -0.006 0.000 2.509 798 I HA 0.853 5.024 4.170 0.001 0.000 0.293 798 I C 0.005 176.140 176.117 0.030 0.000 1.020 798 I CA -0.638 60.671 61.300 0.015 0.000 1.088 798 I CB 0.797 38.831 38.000 0.055 0.000 1.267 798 I HN 0.860 nan 8.210 nan 0.000 0.430 799 T N -0.435 114.136 114.554 0.028 0.000 2.912 799 T HA 0.396 4.747 4.350 0.001 0.000 0.280 799 T C 0.778 175.503 174.700 0.042 0.000 0.989 799 T CA 0.338 62.456 62.100 0.030 0.000 0.995 799 T CB 1.234 70.114 68.868 0.020 0.000 1.077 799 T HN 0.905 nan 8.240 nan 0.000 0.531 800 D N 0.268 120.690 120.400 0.038 0.000 2.350 800 D HA 0.009 4.650 4.640 0.001 0.000 0.216 800 D C 1.812 178.134 176.300 0.038 0.000 0.968 800 D CA 1.003 55.027 54.000 0.040 0.000 0.894 800 D CB -0.574 40.247 40.800 0.035 0.000 0.909 800 D HN 0.630 nan 8.370 nan 0.000 0.520 801 A N 0.023 122.863 122.820 0.033 0.000 1.850 801 A HA 0.504 4.825 4.320 0.001 0.000 0.212 801 A C 2.121 179.727 177.584 0.036 0.000 1.208 801 A CA 1.543 53.597 52.037 0.030 0.000 0.609 801 A CB -0.351 18.662 19.000 0.022 0.000 0.860 801 A HN 0.526 nan 8.150 nan 0.000 0.448 802 G N -3.598 105.225 108.800 0.038 0.000 3.578 802 G HA2 0.340 4.301 3.960 0.001 0.000 0.220 802 G HA3 0.340 4.301 3.960 0.001 0.000 0.220 802 G C 0.538 175.459 174.900 0.035 0.000 0.933 802 G CA 0.493 45.621 45.100 0.047 0.000 0.847 802 G HN 1.112 nan 8.290 nan 0.000 0.612 803 T N 1.434 116.000 114.554 0.019 0.000 2.829 803 T HA 0.570 4.921 4.350 0.001 0.000 0.293 803 T C 0.186 174.879 174.700 -0.011 0.000 0.970 803 T CA 0.649 62.750 62.100 0.002 0.000 1.168 803 T CB 0.230 69.095 68.868 -0.005 0.000 0.911 803 T HN 0.810 nan 8.240 nan 0.000 0.535 804 L N 4.027 125.231 121.223 -0.031 0.000 2.325 804 L HA 0.848 5.189 4.340 0.001 0.000 0.278 804 L C 0.037 176.851 176.870 -0.093 0.000 1.023 804 L CA -0.936 53.859 54.840 -0.075 0.000 0.811 804 L CB 1.236 43.230 42.059 -0.109 0.000 1.249 804 L HN 0.742 nan 8.230 nan 0.000 0.431 805 V N 1.511 121.358 119.914 -0.113 0.000 2.808 805 V HA 0.575 4.696 4.120 0.001 0.000 0.308 805 V C -0.411 175.608 176.094 -0.125 0.000 1.099 805 V CA -0.871 61.367 62.300 -0.103 0.000 0.920 805 V CB 2.354 34.133 31.823 -0.074 0.000 1.014 805 V HN 0.839 nan 8.190 nan 0.000 0.425 806 R N 1.584 122.014 120.500 -0.118 0.000 2.589 806 R HA 0.857 5.198 4.340 0.001 0.000 0.293 806 R C -1.081 175.170 176.300 -0.082 0.000 0.963 806 R CA -0.575 55.455 56.100 -0.116 0.000 0.905 806 R CB 2.291 32.515 30.300 -0.126 0.000 1.144 806 R HN 0.762 nan 8.270 nan 0.000 0.459 807 T N 1.092 115.604 114.554 -0.071 0.000 3.032 807 T HA 0.326 4.677 4.350 0.001 0.000 0.312 807 T C -0.355 174.317 174.700 -0.046 0.000 1.078 807 T CA -0.775 61.292 62.100 -0.055 0.000 1.028 807 T CB 1.593 70.430 68.868 -0.052 0.000 1.091 807 T HN 0.716 nan 8.240 nan 0.000 0.457 808 R N 1.530 122.007 120.500 -0.039 0.000 2.489 808 R HA 0.442 4.783 4.340 0.001 0.000 0.287 808 R C 1.650 177.933 176.300 -0.028 0.000 1.053 808 R CA 0.150 56.231 56.100 -0.031 0.000 1.036 808 R CB -0.888 29.397 30.300 -0.026 0.000 0.966 808 R HN 1.022 nan 8.270 nan 0.000 0.432 809 V N 0.104 120.003 119.914 -0.024 0.000 3.241 809 V HA -0.136 3.984 4.120 0.001 0.000 0.269 809 V C 1.754 177.839 176.094 -0.014 0.000 1.151 809 V CA 1.869 64.157 62.300 -0.020 0.000 1.158 809 V CB -0.539 31.273 31.823 -0.018 0.000 0.764 809 V HN 0.977 nan 8.190 nan 0.000 0.508 810 S N -0.646 115.045 115.700 -0.014 0.000 2.607 810 S HA 0.079 4.549 4.470 0.001 0.000 0.224 810 S C 1.464 176.058 174.600 -0.011 0.000 0.969 810 S CA 0.518 58.712 58.200 -0.011 0.000 0.927 810 S CB -0.259 62.935 63.200 -0.011 0.000 0.772 810 S HN 0.694 nan 8.310 nan 0.000 0.533 811 E N 0.848 121.038 120.200 -0.015 0.000 2.400 811 E HA 0.295 4.646 4.350 0.001 0.000 0.195 811 E C 0.201 176.792 176.600 -0.015 0.000 1.012 811 E CA 0.113 56.502 56.400 -0.017 0.000 0.875 811 E CB 0.222 29.908 29.700 -0.024 0.000 0.859 811 E HN 0.616 nan 8.360 nan 0.000 0.498 812 I N 1.447 122.010 120.570 -0.012 0.000 2.325 812 I HA 0.056 4.227 4.170 0.001 0.000 0.291 812 I C 0.665 176.784 176.117 0.004 0.000 1.019 812 I CA -0.378 60.919 61.300 -0.005 0.000 1.302 812 I CB 1.403 39.400 38.000 -0.005 0.000 1.401 812 I HN -0.187 nan 8.210 nan 0.000 0.485 813 S N 6.431 122.136 115.700 0.009 0.000 2.568 813 S HA 0.345 4.816 4.470 0.001 0.000 0.282 813 S C -0.098 174.515 174.600 0.021 0.000 1.338 813 S CA -0.309 57.899 58.200 0.014 0.000 1.045 813 S CB 0.238 63.448 63.200 0.017 0.000 0.873 813 S HN 0.349 nan 8.310 nan 0.000 0.516 814 I N 5.449 126.032 120.570 0.021 0.000 2.304 814 I HA 0.376 4.547 4.170 0.001 0.000 0.291 814 I C 0.372 176.505 176.117 0.027 0.000 1.018 814 I CA -0.449 60.867 61.300 0.027 0.000 1.260 814 I CB 0.845 38.860 38.000 0.025 0.000 1.390 814 I HN 0.482 nan 8.210 nan 0.000 0.475 815 V N 3.183 123.116 119.914 0.032 0.000 3.329 815 V HA 0.880 5.001 4.120 0.001 0.000 0.308 815 V C 0.160 176.266 176.094 0.019 0.000 1.375 815 V CA -0.588 61.726 62.300 0.024 0.000 1.015 815 V CB 0.921 32.759 31.823 0.024 0.000 1.155 815 V HN 0.617 nan 8.190 nan 0.000 0.479 816 G N -0.962 107.841 108.800 0.006 0.000 2.511 816 G HA2 0.538 4.499 3.960 0.001 0.000 0.316 816 G HA3 0.538 4.499 3.960 0.001 0.000 0.316 816 G C 0.158 175.043 174.900 -0.026 0.000 1.210 816 G CA -0.618 44.472 45.100 -0.017 0.000 0.969 816 G HN 0.805 nan 8.290 nan 0.000 0.492 817 R N -0.614 119.841 120.500 -0.074 0.000 2.061 817 R HA -0.061 4.280 4.340 0.001 0.000 0.230 817 R C 0.833 177.107 176.300 -0.043 0.000 1.140 817 R CA 0.897 56.945 56.100 -0.087 0.000 0.940 817 R CB -0.303 29.879 30.300 -0.197 0.000 0.839 817 R HN 0.471 nan 8.270 nan 0.000 0.429 818 N N 1.585 120.258 118.700 -0.046 0.000 2.814 818 N HA -0.040 4.700 4.740 0.001 0.000 0.304 818 N C -1.314 174.186 175.510 -0.016 0.000 1.211 818 N CA 0.333 53.366 53.050 -0.028 0.000 1.158 818 N CB 0.031 38.500 38.487 -0.031 0.000 1.458 818 N HN 0.250 nan 8.380 nan 0.000 0.519 819 T N -2.754 111.796 114.554 -0.007 0.000 2.769 819 T HA 0.217 4.568 4.350 0.001 0.000 0.306 819 T C 0.361 175.060 174.700 -0.001 0.000 1.400 819 T CA -0.806 61.293 62.100 -0.002 0.000 1.007 819 T CB 1.223 70.097 68.868 0.010 0.000 1.392 819 T HN 0.123 nan 8.240 nan 0.000 0.500 820 Q N -0.006 119.788 119.800 -0.010 0.000 2.392 820 Q HA 0.385 4.726 4.340 0.001 0.000 0.203 820 Q C 1.198 177.205 176.000 0.012 0.000 0.917 820 Q CA 0.463 56.242 55.803 -0.039 0.000 0.939 820 Q CB 0.203 28.876 28.738 -0.108 0.000 1.063 820 Q HN 1.184 nan 8.270 nan 0.000 0.516 821 G N 0.763 109.600 108.800 0.062 0.000 2.632 821 G HA2 -0.236 3.725 3.960 0.001 0.000 0.224 821 G HA3 -0.236 3.725 3.960 0.001 0.000 0.224 821 G C -0.323 174.698 174.900 0.201 0.000 1.341 821 G CA -0.344 44.831 45.100 0.124 0.000 0.880 821 G HN 0.464 nan 8.290 nan 0.000 0.566 822 V N -2.683 117.356 119.914 0.210 0.000 3.158 822 V HA 0.832 4.953 4.120 0.001 0.000 0.311 822 V C 0.838 176.932 176.094 0.001 0.000 1.181 822 V CA -1.295 61.101 62.300 0.160 0.000 1.054 822 V CB 1.603 33.462 31.823 0.060 0.000 1.085 822 V HN 1.130 nan 8.190 nan 0.000 0.446 823 I N 1.194 121.653 120.570 -0.185 0.000 2.556 823 I HA 0.140 4.310 4.170 0.001 0.000 0.284 823 I C 0.476 176.468 176.117 -0.208 0.000 1.114 823 I CA 0.107 61.172 61.300 -0.391 0.000 1.418 823 I CB 1.116 38.917 38.000 -0.331 0.000 1.394 823 I HN 0.546 nan 8.210 nan 0.000 0.552 824 L N 7.191 128.288 121.223 -0.210 0.000 2.547 824 L HA 0.278 4.619 4.340 0.001 0.000 0.218 824 L C 0.223 177.027 176.870 -0.110 0.000 1.048 824 L CA 0.652 55.422 54.840 -0.117 0.000 0.859 824 L CB 0.487 42.499 42.059 -0.079 0.000 1.128 824 L HN 0.617 nan 8.230 nan 0.000 0.483 825 I N -6.066 114.424 120.570 -0.133 0.000 2.918 825 I HA 0.818 4.989 4.170 0.001 0.000 0.301 825 I C 0.286 176.334 176.117 -0.115 0.000 1.312 825 I CA -0.994 60.246 61.300 -0.100 0.000 1.007 825 I CB 0.596 38.554 38.000 -0.069 0.000 1.281 825 I HN 0.056 nan 8.210 nan 0.000 0.440 826 R N 0.320 120.770 120.500 -0.082 0.000 3.141 826 R HA 0.871 5.212 4.340 0.001 0.000 0.244 826 R C 0.492 176.766 176.300 -0.044 0.000 1.161 826 R CA 0.635 56.694 56.100 -0.068 0.000 1.091 826 R CB -0.799 29.475 30.300 -0.043 0.000 0.957 826 R HN 1.542 nan 8.270 nan 0.000 0.512 827 T N -1.775 112.768 114.554 -0.019 0.000 2.907 827 T HA 0.587 4.937 4.350 0.001 0.000 0.344 827 T C -1.264 173.442 174.700 0.010 0.000 1.675 827 T CA 0.007 62.108 62.100 0.002 0.000 1.076 827 T CB 1.529 70.411 68.868 0.023 0.000 1.483 827 T HN 1.264 nan 8.240 nan 0.000 0.487 828 A N 0.780 123.608 122.820 0.014 0.000 2.312 828 A HA 0.755 5.075 4.320 0.001 0.000 0.328 828 A C 0.933 178.530 177.584 0.021 0.000 1.158 828 A CA 0.017 52.063 52.037 0.015 0.000 0.821 828 A CB 0.264 19.271 19.000 0.012 0.000 1.170 828 A HN 1.136 nan 8.150 nan 0.000 0.490 829 E N -0.060 120.152 120.200 0.020 0.000 2.381 829 E HA 0.261 4.611 4.350 0.001 0.000 0.198 829 E C 0.356 176.968 176.600 0.021 0.000 1.204 829 E CA 0.784 57.197 56.400 0.023 0.000 0.998 829 E CB -1.155 28.557 29.700 0.020 0.000 1.080 829 E HN 1.174 nan 8.360 nan 0.000 0.481 830 D N -3.265 117.147 120.400 0.021 0.000 2.825 830 D HA 0.152 4.792 4.640 0.001 0.000 0.294 830 D C -0.103 176.209 176.300 0.021 0.000 1.651 830 D CA 0.088 54.100 54.000 0.020 0.000 0.847 830 D CB -0.627 40.183 40.800 0.017 0.000 1.389 830 D HN 0.461 nan 8.370 nan 0.000 0.426 831 E N 0.707 120.921 120.200 0.023 0.000 2.367 831 E HA 0.512 4.862 4.350 0.001 0.000 0.273 831 E C -1.427 175.190 176.600 0.028 0.000 0.903 831 E CA -0.684 55.730 56.400 0.023 0.000 0.764 831 E CB 2.422 32.133 29.700 0.018 0.000 1.252 831 E HN 0.559 nan 8.360 nan 0.000 0.446 832 N N 0.326 119.043 118.700 0.029 0.000 3.043 832 N HA 0.227 4.967 4.740 0.001 0.000 0.243 832 N C -1.242 174.287 175.510 0.032 0.000 1.347 832 N CA -0.859 52.212 53.050 0.034 0.000 0.896 832 N CB 1.295 39.805 38.487 0.039 0.000 1.501 832 N HN 0.113 nan 8.380 nan 0.000 0.504 833 V N 1.023 120.957 119.914 0.033 0.000 2.655 833 V HA 0.070 4.191 4.120 0.001 0.000 0.300 833 V C 1.276 177.392 176.094 0.036 0.000 1.044 833 V CA 0.026 62.344 62.300 0.030 0.000 1.095 833 V CB 1.034 32.873 31.823 0.026 0.000 0.952 833 V HN 0.707 nan 8.190 nan 0.000 0.485 834 V N 0.635 120.572 119.914 0.039 0.000 3.398 834 V HA 0.720 4.841 4.120 0.001 0.000 0.298 834 V C 0.489 176.614 176.094 0.052 0.000 1.496 834 V CA 0.514 62.841 62.300 0.046 0.000 1.044 834 V CB 0.302 32.155 31.823 0.051 0.000 0.880 834 V HN 1.007 nan 8.190 nan 0.000 0.443 835 G N 0.710 109.539 108.800 0.048 0.000 2.755 835 G HA2 0.640 4.601 3.960 0.001 0.000 0.297 835 G HA3 0.640 4.601 3.960 0.001 0.000 0.297 835 G C -2.232 172.687 174.900 0.032 0.000 1.441 835 G CA -0.506 44.626 45.100 0.054 0.000 0.964 835 G HN 0.531 nan 8.290 nan 0.000 0.540 836 L N 0.332 121.569 121.223 0.024 0.000 2.422 836 L HA 1.012 5.352 4.340 0.001 0.000 0.264 836 L C -0.289 176.584 176.870 0.005 0.000 0.984 836 L CA -0.047 54.794 54.840 0.001 0.000 0.819 836 L CB 1.785 43.834 42.059 -0.017 0.000 1.330 836 L HN 1.268 nan 8.230 nan 0.000 0.410 837 Q N 2.968 122.767 119.800 -0.002 0.000 2.527 837 Q HA 0.552 4.893 4.340 0.001 0.000 0.280 837 Q C -1.396 174.600 176.000 -0.006 0.000 0.977 837 Q CA -0.649 55.160 55.803 0.009 0.000 0.837 837 Q CB 1.351 30.125 28.738 0.059 0.000 1.454 837 Q HN 0.890 nan 8.270 nan 0.000 0.387 838 R N 0.629 121.126 120.500 -0.006 0.000 2.438 838 R HA 0.568 4.909 4.340 0.001 0.000 0.287 838 R C -0.353 175.951 176.300 0.007 0.000 1.077 838 R CA -0.158 55.936 56.100 -0.011 0.000 1.034 838 R CB 0.823 31.114 30.300 -0.015 0.000 0.993 838 R HN 0.584 nan 8.270 nan 0.000 0.459 839 V N 4.422 124.332 119.914 -0.006 0.000 2.637 839 V HA 0.026 4.147 4.120 0.001 0.000 0.296 839 V C 1.215 177.328 176.094 0.032 0.000 1.046 839 V CA 0.678 62.981 62.300 0.005 0.000 1.066 839 V CB 1.229 33.035 31.823 -0.029 0.000 0.968 839 V HN 1.064 nan 8.190 nan 0.000 0.483 840 A N 3.483 126.343 122.820 0.067 0.000 2.014 840 A HA -0.031 4.289 4.320 0.001 0.000 0.218 840 A C 1.336 178.965 177.584 0.075 0.000 1.163 840 A CA 0.718 52.799 52.037 0.074 0.000 0.652 840 A CB -0.246 18.815 19.000 0.101 0.000 0.808 840 A HN 0.911 nan 8.150 nan 0.000 0.449 841 E N 0.000 120.242 120.200 0.070 0.000 2.725 841 E HA 0.000 4.351 4.350 0.001 0.000 0.291 841 E CA 0.000 56.439 56.400 0.065 0.000 0.976 841 E CB 0.000 29.720 29.700 0.033 0.000 0.812 841 E HN 0.000 nan 8.360 nan 0.000 0.440