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 3h6z_1_A DATA FIRST_RESID 531 DATA SEQUENCE GAMGSYDWLP RLSKENFNAA PVTCFPHAPG CEVWDNLGVG MKVEVEXXXX DATA SEQUENCE XXXXXXXXXX XXTSFWVATI LEIKGYKALM SYEGFDTDSH DFWVNLCNAE DATA SEQUENCE VHSVGWCATR GKPLIPPRTI EHKYKDWKDF LVGRLSGART LPSNFYNKIN DATA SEQUENCE DSLQSRFRLG LNLECVDKDR ISQVRLATVT KIVGDRLFLR YFDSDDGFWC DATA SEQUENCE HEDSPIIHPV GWATTVGHNL AAPQDYLERM LAGREAMIEV HEDDATIELF DATA SEQUENCE KMNFTFDEYY SDGKTNSFVE GMKLEAVDPL NLSSICPATV MAVLKFGYMM DATA SEQUENCE IRIDSYQPDA SGSDWFCYHE KSPCIFPAGF CSVNNISVTP PNGYDSRTFT DATA SEQUENCE WEGYLSDTGA VAAGQHLFHD IIPDHGFEVG MSLECADLMD PRLVCVATVA DATA SEQUENCE RVVGRLLKVH FDGWTDEYDQ WLDCESADIY PVGWCVLVNH KLEGPPR 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 531 G HA2 0.000 nan 3.960 nan 0.000 0.244 531 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 531 G C 0.000 174.864 174.900 -0.059 0.000 0.946 531 G CA 0.000 45.055 45.100 -0.075 0.000 0.502 532 A N -0.434 122.352 122.820 -0.058 0.000 2.119 532 A HA 0.328 4.646 4.320 -0.003 0.000 0.217 532 A C 2.036 179.594 177.584 -0.042 0.000 1.153 532 A CA 1.928 53.938 52.037 -0.046 0.000 0.692 532 A CB -0.351 18.623 19.000 -0.043 0.000 0.799 532 A HN 0.392 nan 8.150 nan 0.000 0.458 533 M N -1.587 117.984 119.600 -0.048 0.000 2.313 533 M HA 0.290 4.768 4.480 -0.003 0.000 0.273 533 M C 0.852 177.129 176.300 -0.038 0.000 1.049 533 M CA 0.674 55.949 55.300 -0.041 0.000 1.004 533 M CB 0.782 33.355 32.600 -0.045 0.000 1.461 533 M HN 0.552 nan 8.290 nan 0.000 0.514 534 G N 0.913 109.688 108.800 -0.042 0.000 2.728 534 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.294 534 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.294 534 G C -0.716 174.165 174.900 -0.033 0.000 1.342 534 G CA -0.273 44.804 45.100 -0.037 0.000 0.866 534 G HN 0.363 nan 8.290 nan 0.000 0.534 535 S N -2.218 113.468 115.700 -0.023 0.000 2.615 535 S HA 0.616 5.085 4.470 -0.003 0.000 0.269 535 S C -1.102 173.506 174.600 0.014 0.000 1.161 535 S CA 0.031 58.232 58.200 0.001 0.000 0.817 535 S CB 1.303 64.501 63.200 -0.003 0.000 1.131 535 S HN 1.721 nan 8.310 nan 0.000 0.467 536 Y N 1.777 122.016 120.300 -0.101 0.000 2.309 536 Y HA 0.517 5.065 4.550 -0.003 0.000 0.327 536 Y C -0.195 175.604 175.900 -0.168 0.000 1.172 536 Y CA 0.266 58.271 58.100 -0.158 0.000 1.280 536 Y CB 0.932 39.253 38.460 -0.233 0.000 1.234 536 Y HN 0.731 nan 8.280 nan 0.000 0.512 537 D N 3.903 123.787 120.400 -0.859 0.000 2.278 537 D HA 0.173 4.811 4.640 -0.003 0.000 0.245 537 D C -0.440 175.363 176.300 -0.829 0.000 1.052 537 D CA -0.429 53.230 54.000 -0.569 0.000 0.834 537 D CB 0.717 41.307 40.800 -0.349 0.000 1.194 537 D HN 0.702 nan 8.370 nan 0.000 0.481 538 W N 3.003 124.109 121.300 -0.324 0.000 2.519 538 W HA -0.026 4.632 4.660 -0.003 0.000 0.266 538 W C 1.983 178.271 176.519 -0.384 0.000 1.253 538 W CA -0.284 56.935 57.345 -0.210 0.000 1.274 538 W CB -0.071 29.331 29.460 -0.097 0.000 1.114 538 W HN 0.462 nan 8.180 nan 0.000 0.596 539 L N 2.539 123.666 121.223 -0.159 0.000 2.030 539 L HA -0.247 4.092 4.340 -0.003 0.000 0.222 539 L C -0.452 176.283 176.870 -0.225 0.000 1.082 539 L CA 2.430 57.134 54.840 -0.228 0.000 0.785 539 L CB -2.009 39.974 42.059 -0.127 0.000 0.895 539 L HN -0.162 nan 8.230 nan 0.000 0.439 540 P HA -0.201 nan 4.420 nan 0.000 0.218 540 P C 1.597 178.814 177.300 -0.138 0.000 1.148 540 P CA 1.683 64.709 63.100 -0.124 0.000 0.822 540 P CB -0.114 31.526 31.700 -0.100 0.000 0.784 541 R N -0.680 119.700 120.500 -0.199 0.000 2.100 541 R HA 0.147 4.485 4.340 -0.003 0.000 0.220 541 R C 2.597 178.490 176.300 -0.678 0.000 1.091 541 R CA 0.323 56.245 56.100 -0.297 0.000 0.986 541 R CB -0.904 29.295 30.300 -0.169 0.000 0.888 541 R HN 0.068 nan 8.270 nan 0.000 0.444 542 L N 0.516 121.233 121.223 -0.842 0.000 2.089 542 L HA -0.195 4.143 4.340 -0.003 0.000 0.213 542 L C 1.190 177.786 176.870 -0.456 0.000 1.079 542 L CA 1.716 55.956 54.840 -1.000 0.000 0.758 542 L CB -0.304 40.989 42.059 -1.278 0.000 0.891 542 L HN 0.274 nan 8.230 nan 0.000 0.433 543 S N -0.595 114.990 115.700 -0.192 0.000 2.582 543 S HA 0.230 4.699 4.470 -0.003 0.000 0.249 543 S C -0.091 174.576 174.600 0.111 0.000 1.072 543 S CA -0.729 57.553 58.200 0.137 0.000 1.115 543 S CB -0.464 62.856 63.200 0.200 0.000 0.790 543 S HN 0.340 nan 8.310 nan 0.000 0.459 544 K N -0.152 120.307 120.400 0.098 0.000 2.427 544 K HA 0.462 4.780 4.320 -0.003 0.000 0.252 544 K C -0.910 175.794 176.600 0.173 0.000 0.931 544 K CA -0.800 55.561 56.287 0.124 0.000 0.793 544 K CB 1.292 33.851 32.500 0.099 0.000 1.211 544 K HN -0.198 nan 8.250 nan 0.000 0.426 545 E N 2.058 122.344 120.200 0.144 0.000 2.148 545 E HA 0.040 4.388 4.350 -0.003 0.000 0.308 545 E C -0.683 175.990 176.600 0.122 0.000 1.278 545 E CA 0.232 56.715 56.400 0.138 0.000 1.368 545 E CB -0.239 29.526 29.700 0.109 0.000 1.229 545 E HN 0.818 nan 8.360 nan 0.000 0.494 546 N N -0.085 118.707 118.700 0.153 0.000 1.848 546 N HA -0.041 4.698 4.740 -0.003 0.000 0.236 546 N C -0.704 174.901 175.510 0.160 0.000 1.427 546 N CA -0.244 52.882 53.050 0.127 0.000 0.732 546 N CB 0.237 38.793 38.487 0.114 0.000 1.067 546 N HN 0.070 nan 8.380 nan 0.000 0.540 547 F N 2.350 122.330 119.950 0.051 0.000 2.434 547 F HA 0.457 4.982 4.527 -0.003 0.000 0.358 547 F C -0.207 175.606 175.800 0.022 0.000 1.136 547 F CA -0.438 57.586 58.000 0.040 0.000 1.157 547 F CB 0.093 39.109 39.000 0.027 0.000 1.167 547 F HN -0.034 nan 8.300 nan 0.000 0.539 548 N N 4.831 123.287 118.700 -0.408 0.000 2.408 548 N HA 0.625 5.363 4.740 -0.003 0.000 0.280 548 N C -1.418 173.728 175.510 -0.606 0.000 1.002 548 N CA -0.411 52.422 53.050 -0.362 0.000 0.907 548 N CB 1.558 39.951 38.487 -0.157 0.000 1.161 548 N HN 0.654 nan 8.380 nan 0.000 0.488 549 A N 2.197 124.720 122.820 -0.495 0.000 2.337 549 A HA 0.809 5.127 4.320 -0.003 0.000 0.329 549 A C -0.251 177.225 177.584 -0.180 0.000 1.146 549 A CA -0.778 50.996 52.037 -0.438 0.000 0.800 549 A CB 0.803 19.559 19.000 -0.406 0.000 1.220 549 A HN 0.793 nan 8.150 nan 0.000 0.472 550 A N 3.330 126.108 122.820 -0.070 0.000 2.492 550 A HA 0.555 4.874 4.320 -0.003 0.000 0.254 550 A C -2.379 175.208 177.584 0.005 0.000 1.091 550 A CA -0.922 51.117 52.037 0.005 0.000 0.768 550 A CB -0.698 18.432 19.000 0.216 0.000 1.028 550 A HN 0.557 nan 8.150 nan 0.000 0.498 551 P HA 0.124 nan 4.420 nan 0.000 0.269 551 P C 1.160 178.433 177.300 -0.045 0.000 1.215 551 P CA -0.425 62.651 63.100 -0.041 0.000 0.780 551 P CB 0.526 32.217 31.700 -0.016 0.000 0.898 552 V N 1.731 121.484 119.914 -0.268 0.000 2.370 552 V HA -0.281 3.838 4.120 -0.003 0.000 0.252 552 V C 2.130 178.182 176.094 -0.069 0.000 1.068 552 V CA 2.513 64.548 62.300 -0.442 0.000 1.061 552 V CB -1.731 29.320 31.823 -1.286 0.000 0.656 552 V HN 0.659 nan 8.190 nan 0.000 0.455 553 T N -1.336 113.209 114.554 -0.015 0.000 2.848 553 T HA -0.263 4.086 4.350 -0.003 0.000 0.269 553 T C 1.722 176.355 174.700 -0.112 0.000 1.081 553 T CA 1.829 63.934 62.100 0.008 0.000 1.125 553 T CB -0.561 68.329 68.868 0.037 0.000 0.848 553 T HN 0.620 nan 8.240 nan 0.000 0.503 554 C N 0.248 119.375 119.300 -0.288 0.000 2.481 554 C HA 0.219 4.677 4.460 -0.003 0.000 0.275 554 C C 0.520 175.139 174.990 -0.619 0.000 1.419 554 C CA -0.544 58.025 59.018 -0.748 0.000 1.773 554 C CB -1.242 25.472 27.740 -1.710 0.000 1.862 554 C HN 0.408 nan 8.230 nan 0.000 0.530 555 F N 1.854 121.715 119.950 -0.149 0.000 2.307 555 F HA 0.320 4.845 4.527 -0.003 0.000 0.369 555 F C -1.297 174.466 175.800 -0.062 0.000 1.076 555 F CA -2.500 55.461 58.000 -0.066 0.000 1.149 555 F CB 0.238 39.089 39.000 -0.248 0.000 1.410 555 F HN -0.004 nan 8.300 nan 0.000 0.481 556 P HA -0.214 nan 4.420 nan 0.000 0.221 556 P C 1.158 178.567 177.300 0.181 0.000 1.145 556 P CA 1.663 64.856 63.100 0.154 0.000 0.795 556 P CB -0.129 31.654 31.700 0.137 0.000 0.775 557 H N -0.980 118.140 119.070 0.083 0.000 2.562 557 H HA 0.378 4.933 4.556 -0.003 0.000 0.267 557 H C 0.608 176.044 175.328 0.180 0.000 0.959 557 H CA -0.073 56.032 56.048 0.096 0.000 1.204 557 H CB -0.794 28.931 29.762 -0.062 0.000 1.430 557 H HN -0.084 nan 8.280 nan 0.000 0.545 558 A N 3.185 125.761 122.820 -0.405 0.000 2.498 558 A HA 0.266 4.584 4.320 -0.003 0.000 0.239 558 A C -2.237 175.414 177.584 0.110 0.000 1.068 558 A CA -1.004 50.935 52.037 -0.164 0.000 0.766 558 A CB -0.152 18.717 19.000 -0.219 0.000 1.003 558 A HN 0.241 nan 8.150 nan 0.000 0.497 559 P HA 0.333 nan 4.420 nan 0.000 0.271 559 P C 0.891 178.310 177.300 0.198 0.000 1.216 559 P CA 1.394 64.615 63.100 0.202 0.000 0.771 559 P CB 0.810 32.613 31.700 0.172 0.000 0.864 560 G N 1.716 110.611 108.800 0.158 0.000 2.148 560 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.254 560 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.254 560 G C 1.264 176.327 174.900 0.272 0.000 0.981 560 G CA 0.159 45.383 45.100 0.208 0.000 0.670 560 G HN 0.654 nan 8.290 nan 0.000 0.528 561 C N -0.346 119.058 119.300 0.173 0.000 2.398 561 C HA -0.026 4.433 4.460 -0.003 0.000 0.276 561 C C 2.565 177.672 174.990 0.195 0.000 1.222 561 C CA 2.359 61.465 59.018 0.147 0.000 1.746 561 C CB -0.767 27.033 27.740 0.099 0.000 2.039 561 C HN 0.671 nan 8.230 nan 0.000 0.470 562 E N -0.557 119.740 120.200 0.162 0.000 2.028 562 E HA -0.187 4.161 4.350 -0.003 0.000 0.191 562 E C 2.182 178.885 176.600 0.172 0.000 0.988 562 E CA 1.480 57.965 56.400 0.142 0.000 0.799 562 E CB -0.467 29.296 29.700 0.106 0.000 0.755 562 E HN 0.545 nan 8.360 nan 0.000 0.447 563 V N 1.145 121.172 119.914 0.187 0.000 2.720 563 V HA -0.195 3.923 4.120 -0.003 0.000 0.256 563 V C 1.688 177.947 176.094 0.275 0.000 1.082 563 V CA 1.221 63.638 62.300 0.193 0.000 1.101 563 V CB -0.448 31.456 31.823 0.135 0.000 0.693 563 V HN 0.490 nan 8.190 nan 0.000 0.479 564 W N 1.246 122.633 121.300 0.145 0.000 2.363 564 W HA -0.171 4.487 4.660 -0.003 0.000 0.296 564 W C 2.124 178.704 176.519 0.102 0.000 1.212 564 W CA 1.900 59.349 57.345 0.172 0.000 1.260 564 W CB -0.279 29.262 29.460 0.135 0.000 1.131 564 W HN 0.611 nan 8.180 nan 0.000 0.530 565 D N -0.518 120.017 120.400 0.225 0.000 2.378 565 D HA -0.153 4.486 4.640 -0.003 0.000 0.227 565 D C 0.843 177.154 176.300 0.018 0.000 1.012 565 D CA 0.730 54.795 54.000 0.108 0.000 0.905 565 D CB -0.986 39.875 40.800 0.102 0.000 0.895 565 D HN 0.248 nan 8.370 nan 0.000 0.532 566 N N -0.473 118.229 118.700 0.003 0.000 2.463 566 N HA 0.107 4.845 4.740 -0.003 0.000 0.181 566 N C 0.277 175.704 175.510 -0.138 0.000 1.078 566 N CA -0.021 53.003 53.050 -0.044 0.000 0.902 566 N CB 0.282 38.764 38.487 -0.009 0.000 0.970 566 N HN 0.176 nan 8.380 nan 0.000 0.451 567 L N 0.256 121.335 121.223 -0.241 0.000 2.417 567 L HA 0.387 4.725 4.340 -0.003 0.000 0.268 567 L C 0.770 177.498 176.870 -0.236 0.000 1.158 567 L CA -0.536 54.084 54.840 -0.367 0.000 0.819 567 L CB 0.919 42.576 42.059 -0.671 0.000 1.112 567 L HN 0.017 nan 8.230 nan 0.000 0.458 568 G N 0.601 109.270 108.800 -0.218 0.000 2.620 568 G HA2 0.392 4.350 3.960 -0.003 0.000 0.301 568 G HA3 0.392 4.350 3.960 -0.003 0.000 0.301 568 G C -0.836 173.987 174.900 -0.130 0.000 1.347 568 G CA -0.458 44.559 45.100 -0.139 0.000 0.971 568 G HN 0.345 nan 8.290 nan 0.000 0.488 569 V N 2.225 122.088 119.914 -0.085 0.000 3.102 569 V HA 0.492 4.610 4.120 -0.003 0.000 0.371 569 V C 1.195 177.244 176.094 -0.076 0.000 1.414 569 V CA 1.388 63.646 62.300 -0.071 0.000 1.565 569 V CB -0.385 31.417 31.823 -0.034 0.000 1.273 569 V HN 1.192 nan 8.190 nan 0.000 0.478 570 G N 1.693 110.436 108.800 -0.094 0.000 3.912 570 G HA2 0.162 4.120 3.960 -0.003 0.000 0.203 570 G HA3 0.162 4.120 3.960 -0.003 0.000 0.203 570 G C 0.223 175.064 174.900 -0.098 0.000 1.112 570 G CA -0.472 44.578 45.100 -0.084 0.000 0.871 570 G HN 0.429 nan 8.290 nan 0.000 0.549 571 M N 1.396 120.920 119.600 -0.126 0.000 2.245 571 M HA 0.317 4.795 4.480 -0.003 0.000 0.344 571 M C 0.287 176.511 176.300 -0.126 0.000 1.170 571 M CA 0.556 55.773 55.300 -0.138 0.000 1.135 571 M CB 0.899 33.384 32.600 -0.191 0.000 1.574 571 M HN -0.107 nan 8.290 nan 0.000 0.452 572 K N 1.158 121.494 120.400 -0.108 0.000 2.095 572 K HA 0.773 5.091 4.320 -0.003 0.000 0.252 572 K C -1.262 175.288 176.600 -0.083 0.000 0.977 572 K CA -0.687 55.547 56.287 -0.088 0.000 0.900 572 K CB 1.892 34.345 32.500 -0.079 0.000 1.060 572 K HN 0.412 nan 8.250 nan 0.000 0.449 573 V N 1.442 121.326 119.914 -0.050 0.000 3.098 573 V HA 0.109 4.228 4.120 -0.003 0.000 0.294 573 V C -1.599 174.528 176.094 0.054 0.000 1.351 573 V CA -0.857 61.431 62.300 -0.020 0.000 0.999 573 V CB 2.432 34.222 31.823 -0.055 0.000 1.104 573 V HN 0.755 nan 8.190 nan 0.000 0.438 574 E N 2.543 122.802 120.200 0.100 0.000 2.146 574 E HA 0.648 4.996 4.350 -0.003 0.000 0.282 574 E C -0.952 175.822 176.600 0.290 0.000 0.989 574 E CA -0.273 56.242 56.400 0.192 0.000 0.799 574 E CB 1.989 31.793 29.700 0.173 0.000 1.088 574 E HN 0.456 nan 8.360 nan 0.000 0.397 575 V N 1.657 121.834 119.914 0.439 0.000 3.145 575 V HA 0.560 4.679 4.120 -0.003 0.000 0.311 575 V C 0.123 176.536 176.094 0.531 0.000 1.238 575 V CA -0.882 61.696 62.300 0.462 0.000 1.066 575 V CB 1.741 33.846 31.823 0.470 0.000 1.144 575 V HN 0.821 nan 8.190 nan 0.000 0.465 594 S N 0.236 115.760 115.700 -0.293 0.000 2.569 594 S HA 0.901 5.370 4.470 -0.003 0.000 0.280 594 S C -1.320 173.068 174.600 -0.354 0.000 1.111 594 S CA -0.778 57.325 58.200 -0.162 0.000 0.887 594 S CB 1.750 64.935 63.200 -0.024 0.000 1.095 594 S HN 0.223 nan 8.310 nan 0.000 0.476 595 F N 0.449 120.512 119.950 0.188 0.000 2.631 595 F HA 0.793 5.318 4.527 -0.003 0.000 0.328 595 F C -0.135 175.888 175.800 0.372 0.000 1.067 595 F CA -0.741 57.414 58.000 0.259 0.000 0.969 595 F CB 1.516 40.689 39.000 0.289 0.000 1.332 595 F HN 0.724 nan 8.300 nan 0.000 0.490 596 W N 1.271 122.757 121.300 0.310 0.000 3.074 596 W HA 0.594 5.252 4.660 -0.003 0.000 0.332 596 W C -1.640 175.063 176.519 0.308 0.000 1.253 596 W CA -1.229 56.236 57.345 0.200 0.000 1.180 596 W CB 1.566 31.011 29.460 -0.025 0.000 1.445 596 W HN 0.472 nan 8.180 nan 0.000 0.573 597 V N 1.730 121.419 119.914 -0.374 0.000 2.567 597 V HA 0.874 4.992 4.120 -0.003 0.000 0.289 597 V C -0.429 175.746 176.094 0.135 0.000 1.049 597 V CA -0.063 62.165 62.300 -0.121 0.000 0.969 597 V CB 0.657 32.334 31.823 -0.243 0.000 0.995 597 V HN 0.733 nan 8.190 nan 0.000 0.471 598 A N 3.542 126.454 122.820 0.154 0.000 2.527 598 A HA 0.869 5.187 4.320 -0.003 0.000 0.293 598 A C -0.151 177.424 177.584 -0.014 0.000 1.117 598 A CA -0.666 51.447 52.037 0.126 0.000 0.723 598 A CB 1.916 20.950 19.000 0.057 0.000 1.313 598 A HN 0.985 nan 8.150 nan 0.000 0.411 599 T N 1.432 115.952 114.554 -0.057 0.000 2.824 599 T HA 0.500 4.849 4.350 -0.003 0.000 0.280 599 T C -0.060 174.534 174.700 -0.177 0.000 0.995 599 T CA -0.053 61.988 62.100 -0.098 0.000 1.009 599 T CB 0.660 69.493 68.868 -0.059 0.000 0.955 599 T HN 0.414 nan 8.240 nan 0.000 0.452 600 I N 3.902 124.365 120.570 -0.177 0.000 2.406 600 I HA 0.099 4.268 4.170 -0.003 0.000 0.293 600 I C 1.177 177.188 176.117 -0.177 0.000 1.101 600 I CA -0.030 61.147 61.300 -0.206 0.000 1.334 600 I CB 0.363 38.253 38.000 -0.183 0.000 1.421 600 I HN 0.583 nan 8.210 nan 0.000 0.513 601 L N 5.120 126.211 121.223 -0.219 0.000 2.341 601 L HA 0.215 4.553 4.340 -0.003 0.000 0.214 601 L C 0.664 177.458 176.870 -0.126 0.000 1.115 601 L CA 0.718 55.458 54.840 -0.167 0.000 0.820 601 L CB -0.062 41.880 42.059 -0.195 0.000 0.944 601 L HN 0.626 nan 8.230 nan 0.000 0.452 602 E N -0.159 119.957 120.200 -0.141 0.000 2.451 602 E HA 0.406 4.755 4.350 -0.003 0.000 0.295 602 E C -1.455 175.200 176.600 0.092 0.000 0.966 602 E CA -0.352 56.039 56.400 -0.014 0.000 0.808 602 E CB 1.989 31.698 29.700 0.015 0.000 1.242 602 E HN -0.033 nan 8.360 nan 0.000 0.412 603 I N 4.056 124.730 120.570 0.173 0.000 2.410 603 I HA 0.365 4.533 4.170 -0.003 0.000 0.286 603 I C -0.640 175.649 176.117 0.286 0.000 1.009 603 I CA -0.625 60.833 61.300 0.265 0.000 1.111 603 I CB 1.358 39.487 38.000 0.214 0.000 1.262 603 I HN 0.150 nan 8.210 nan 0.000 0.443 604 K N 5.458 126.060 120.400 0.335 0.000 2.507 604 K HA 0.551 4.869 4.320 -0.003 0.000 0.253 604 K C 0.503 177.155 176.600 0.087 0.000 0.969 604 K CA -0.331 56.066 56.287 0.183 0.000 0.908 604 K CB 2.042 34.660 32.500 0.196 0.000 1.127 604 K HN 0.851 nan 8.250 nan 0.000 0.437 605 G N 2.440 111.228 108.800 -0.021 0.000 2.596 605 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.304 605 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.304 605 G C 0.476 175.267 174.900 -0.182 0.000 1.189 605 G CA 0.421 45.392 45.100 -0.215 0.000 0.986 605 G HN 0.693 nan 8.290 nan 0.000 0.548 606 Y N 2.515 122.777 120.300 -0.064 0.000 2.482 606 Y HA 0.250 4.798 4.550 -0.003 0.000 0.270 606 Y C 1.595 177.670 175.900 0.292 0.000 1.152 606 Y CA 0.631 58.754 58.100 0.038 0.000 1.292 606 Y CB 0.292 38.724 38.460 -0.046 0.000 1.070 606 Y HN 0.093 nan 8.280 nan 0.000 0.528 607 K N 1.342 121.959 120.400 0.362 0.000 2.174 607 K HA 0.624 4.942 4.320 -0.003 0.000 0.275 607 K C -0.514 176.416 176.600 0.549 0.000 1.015 607 K CA -0.278 56.248 56.287 0.399 0.000 0.933 607 K CB 1.675 34.288 32.500 0.188 0.000 1.025 607 K HN -0.022 nan 8.250 nan 0.000 0.463 608 A N 2.836 125.967 122.820 0.517 0.000 2.356 608 A HA 0.393 4.712 4.320 -0.003 0.000 0.310 608 A C -1.199 176.321 177.584 -0.107 0.000 1.075 608 A CA -0.818 51.371 52.037 0.253 0.000 0.746 608 A CB 1.006 20.063 19.000 0.094 0.000 1.221 608 A HN 0.571 nan 8.150 nan 0.000 0.443 609 L N 3.875 124.701 121.223 -0.662 0.000 2.283 609 L HA 0.464 4.803 4.340 -0.003 0.000 0.287 609 L C -0.388 176.013 176.870 -0.781 0.000 1.073 609 L CA -0.047 54.042 54.840 -1.251 0.000 0.822 609 L CB 0.280 41.435 42.059 -1.508 0.000 1.186 609 L HN 0.643 nan 8.230 nan 0.000 0.436 610 M N 3.439 122.477 119.600 -0.936 0.000 2.277 610 M HA 0.359 4.837 4.480 -0.003 0.000 0.350 610 M C 0.041 175.840 176.300 -0.835 0.000 1.180 610 M CA -0.054 54.660 55.300 -0.976 0.000 1.103 610 M CB 1.191 32.810 32.600 -1.635 0.000 1.577 610 M HN 0.611 nan 8.290 nan 0.000 0.459 611 S N 2.713 118.121 115.700 -0.487 0.000 2.672 611 S HA 0.553 5.021 4.470 -0.003 0.000 0.291 611 S C -1.223 173.357 174.600 -0.033 0.000 1.145 611 S CA -0.560 57.491 58.200 -0.248 0.000 1.013 611 S CB 0.567 63.694 63.200 -0.121 0.000 1.017 611 S HN 0.501 nan 8.310 nan 0.000 0.487 612 Y N 2.383 122.751 120.300 0.113 0.000 2.480 612 Y HA 0.164 4.712 4.550 -0.003 0.000 0.338 612 Y C 1.308 177.516 175.900 0.513 0.000 1.220 612 Y CA -0.347 57.963 58.100 0.350 0.000 1.430 612 Y CB 0.533 39.178 38.460 0.308 0.000 1.311 612 Y HN 0.523 nan 8.280 nan 0.000 0.575 613 E N 1.168 121.860 120.200 0.821 0.000 2.384 613 E HA 0.119 4.467 4.350 -0.003 0.000 0.266 613 E C 0.811 178.025 176.600 1.024 0.000 1.012 613 E CA 0.716 57.586 56.400 0.782 0.000 0.901 613 E CB 0.837 30.885 29.700 0.579 0.000 0.967 613 E HN 0.891 nan 8.360 nan 0.000 0.435 614 G N 2.623 111.952 108.800 0.882 0.000 2.132 614 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.228 614 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.228 614 G C -0.280 174.778 174.900 0.262 0.000 1.000 614 G CA -0.360 45.079 45.100 0.565 0.000 0.693 614 G HN 0.325 nan 8.290 nan 0.000 0.515 615 F N 1.092 121.219 119.950 0.295 0.000 2.411 615 F HA 0.455 4.980 4.527 -0.003 0.000 0.352 615 F C 1.208 177.119 175.800 0.185 0.000 1.123 615 F CA -0.853 57.274 58.000 0.212 0.000 1.044 615 F CB 1.459 40.602 39.000 0.240 0.000 1.135 615 F HN -0.065 nan 8.300 nan 0.000 0.461 616 D N 0.369 120.916 120.400 0.245 0.000 2.178 616 D HA -0.080 4.559 4.640 -0.003 0.000 0.201 616 D C 1.160 177.582 176.300 0.203 0.000 0.980 616 D CA 1.398 55.512 54.000 0.189 0.000 0.842 616 D CB -0.039 40.835 40.800 0.124 0.000 0.948 616 D HN 0.527 nan 8.370 nan 0.000 0.472 617 T N -1.988 112.720 114.554 0.257 0.000 2.926 617 T HA 0.258 4.606 4.350 -0.003 0.000 0.289 617 T C 0.466 175.295 174.700 0.215 0.000 1.054 617 T CA -0.825 61.399 62.100 0.207 0.000 1.015 617 T CB 2.048 71.026 68.868 0.183 0.000 1.167 617 T HN -0.089 nan 8.240 nan 0.000 0.526 618 D N 0.069 120.550 120.400 0.135 0.000 2.363 618 D HA -0.087 4.552 4.640 -0.003 0.000 0.226 618 D C 1.820 178.168 176.300 0.081 0.000 1.020 618 D CA 0.741 54.790 54.000 0.082 0.000 0.892 618 D CB -0.313 40.511 40.800 0.041 0.000 0.900 618 D HN 0.509 nan 8.370 nan 0.000 0.531 619 S N 0.938 116.720 115.700 0.138 0.000 2.389 619 S HA -0.307 4.162 4.470 -0.003 0.000 0.231 619 S C 1.299 175.883 174.600 -0.026 0.000 1.052 619 S CA 1.406 59.663 58.200 0.096 0.000 1.053 619 S CB -0.621 62.703 63.200 0.207 0.000 0.886 619 S HN 0.491 nan 8.310 nan 0.000 0.456 620 H N 0.578 119.665 119.070 0.027 0.000 2.542 620 H HA 0.434 4.989 4.556 -0.003 0.000 0.283 620 H C -0.647 174.642 175.328 -0.065 0.000 1.059 620 H CA -0.262 55.747 56.048 -0.064 0.000 1.162 620 H CB 0.024 29.628 29.762 -0.263 0.000 1.539 620 H HN 0.360 nan 8.280 nan 0.000 0.543 621 D N 1.178 121.578 120.400 -0.002 0.000 2.443 621 D HA 0.080 4.718 4.640 -0.003 0.000 0.239 621 D C 0.026 176.310 176.300 -0.026 0.000 1.136 621 D CA 0.521 54.457 54.000 -0.107 0.000 0.879 621 D CB 0.430 41.114 40.800 -0.194 0.000 1.195 621 D HN 0.300 nan 8.370 nan 0.000 0.443 622 F N -1.139 118.630 119.950 -0.302 0.000 2.601 622 F HA 0.624 5.150 4.527 -0.003 0.000 0.309 622 F C -1.229 174.435 175.800 -0.225 0.000 1.089 622 F CA -1.532 56.354 58.000 -0.191 0.000 0.940 622 F CB 0.785 39.705 39.000 -0.133 0.000 1.273 622 F HN 0.139 nan 8.300 nan 0.000 0.450 623 W N 2.974 124.284 121.300 0.017 0.000 2.376 623 W HA 0.650 5.309 4.660 -0.003 0.000 0.322 623 W C -0.550 176.006 176.519 0.061 0.000 1.160 623 W CA -0.694 56.635 57.345 -0.027 0.000 1.218 623 W CB 1.852 31.322 29.460 0.017 0.000 1.205 623 W HN 0.568 nan 8.180 nan 0.000 0.559 624 V N 0.281 120.365 119.914 0.284 0.000 3.001 624 V HA 0.494 4.612 4.120 -0.003 0.000 0.314 624 V C -0.673 175.584 176.094 0.271 0.000 1.099 624 V CA -1.590 60.861 62.300 0.251 0.000 0.989 624 V CB 1.925 33.856 31.823 0.181 0.000 1.040 624 V HN 0.501 nan 8.190 nan 0.000 0.434 625 N N 2.334 121.168 118.700 0.224 0.000 2.605 625 N HA 0.310 5.048 4.740 -0.003 0.000 0.258 625 N C 1.086 176.757 175.510 0.268 0.000 1.156 625 N CA -0.199 52.989 53.050 0.229 0.000 1.008 625 N CB 0.543 39.112 38.487 0.137 0.000 1.354 625 N HN 0.803 nan 8.380 nan 0.000 0.509 626 L N 0.701 122.147 121.223 0.372 0.000 2.103 626 L HA -0.313 4.025 4.340 -0.003 0.000 0.215 626 L C 1.609 178.823 176.870 0.574 0.000 1.080 626 L CA 1.495 56.586 54.840 0.417 0.000 0.764 626 L CB -0.300 42.035 42.059 0.460 0.000 0.890 626 L HN 0.677 nan 8.230 nan 0.000 0.435 627 C N -2.076 117.569 119.300 0.575 0.000 2.673 627 C HA 0.197 4.656 4.460 -0.003 0.000 0.274 627 C C 1.272 176.431 174.990 0.281 0.000 1.276 627 C CA 0.116 59.466 59.018 0.553 0.000 1.701 627 C CB -1.897 26.035 27.740 0.320 0.000 1.836 627 C HN 0.799 nan 8.230 nan 0.000 0.596 628 N N -0.957 117.833 118.700 0.150 0.000 2.036 628 N HA 0.325 5.063 4.740 -0.003 0.000 0.224 628 N C 0.052 175.532 175.510 -0.051 0.000 1.381 628 N CA 0.139 53.170 53.050 -0.031 0.000 0.746 628 N CB -0.031 38.413 38.487 -0.072 0.000 1.213 628 N HN 0.377 nan 8.380 nan 0.000 0.524 629 A N 0.666 123.492 122.820 0.010 0.000 2.249 629 A HA 0.356 4.674 4.320 -0.003 0.000 0.281 629 A C 0.481 177.995 177.584 -0.117 0.000 1.127 629 A CA -0.219 51.819 52.037 0.000 0.000 0.833 629 A CB 0.307 19.361 19.000 0.089 0.000 1.140 629 A HN 0.248 nan 8.150 nan 0.000 0.502 630 E N 0.563 120.717 120.200 -0.077 0.000 2.346 630 E HA 0.254 4.603 4.350 -0.003 0.000 0.317 630 E C -0.984 175.497 176.600 -0.199 0.000 1.404 630 E CA 0.160 56.473 56.400 -0.144 0.000 1.534 630 E CB -0.263 29.445 29.700 0.014 0.000 1.309 630 E HN 0.275 nan 8.360 nan 0.000 0.499 631 V N 1.436 121.125 119.914 -0.374 0.000 2.555 631 V HA 0.351 4.469 4.120 -0.003 0.000 0.302 631 V C -0.437 175.359 176.094 -0.497 0.000 1.038 631 V CA -0.696 61.470 62.300 -0.224 0.000 0.887 631 V CB 1.629 33.475 31.823 0.038 0.000 0.991 631 V HN 0.455 nan 8.190 nan 0.000 0.434 632 H N 0.464 119.490 119.070 -0.074 0.000 2.946 632 H HA 0.570 5.125 4.556 -0.003 0.000 0.365 632 H C -0.122 175.195 175.328 -0.018 0.000 1.197 632 H CA -0.666 55.296 56.048 -0.142 0.000 1.131 632 H CB 1.700 31.070 29.762 -0.652 0.000 1.849 632 H HN 0.691 nan 8.280 nan 0.000 0.555 633 S N 0.451 116.252 115.700 0.168 0.000 2.565 633 S HA 0.206 4.675 4.470 -0.003 0.000 0.276 633 S C 0.195 174.866 174.600 0.118 0.000 1.326 633 S CA -0.993 57.259 58.200 0.086 0.000 1.045 633 S CB 0.738 63.972 63.200 0.056 0.000 0.918 633 S HN 0.419 nan 8.310 nan 0.000 0.505 634 V N 3.491 123.434 119.914 0.049 0.000 2.583 634 V HA 0.327 4.445 4.120 -0.003 0.000 0.302 634 V C 1.633 177.756 176.094 0.048 0.000 1.033 634 V CA 1.881 64.201 62.300 0.033 0.000 1.194 634 V CB -0.444 31.368 31.823 -0.019 0.000 0.879 634 V HN 1.450 nan 8.190 nan 0.000 0.482 635 G N 4.351 113.183 108.800 0.053 0.000 2.231 635 G HA2 -0.284 3.675 3.960 -0.003 0.000 0.206 635 G HA3 -0.284 3.675 3.960 -0.003 0.000 0.206 635 G C 0.465 175.390 174.900 0.042 0.000 0.996 635 G CA 0.449 45.567 45.100 0.031 0.000 0.645 635 G HN 0.818 nan 8.290 nan 0.000 0.498 636 W N 0.917 122.157 121.300 -0.100 0.000 2.355 636 W HA -0.019 4.639 4.660 -0.003 0.000 0.309 636 W C 2.521 178.896 176.519 -0.240 0.000 1.206 636 W CA 2.628 59.868 57.345 -0.175 0.000 1.284 636 W CB -0.579 28.742 29.460 -0.232 0.000 1.145 636 W HN 0.321 nan 8.180 nan 0.000 0.502 637 C N 0.395 119.647 119.300 -0.080 0.000 2.413 637 C HA -0.159 4.299 4.460 -0.003 0.000 0.276 637 C C 3.058 177.903 174.990 -0.243 0.000 1.236 637 C CA 1.865 60.740 59.018 -0.239 0.000 1.735 637 C CB -1.673 26.039 27.740 -0.046 0.000 2.031 637 C HN 0.499 nan 8.230 nan 0.000 0.474 638 A N -0.624 122.111 122.820 -0.142 0.000 1.940 638 A HA -0.230 4.088 4.320 -0.003 0.000 0.219 638 A C 2.263 179.749 177.584 -0.163 0.000 1.176 638 A CA 2.529 54.497 52.037 -0.115 0.000 0.631 638 A CB -1.108 17.851 19.000 -0.068 0.000 0.814 638 A HN 0.569 nan 8.150 nan 0.000 0.446 639 T N -1.704 112.716 114.554 -0.224 0.000 2.951 639 T HA -0.037 4.311 4.350 -0.003 0.000 0.268 639 T C 1.805 176.316 174.700 -0.314 0.000 1.073 639 T CA 1.301 63.260 62.100 -0.236 0.000 1.134 639 T CB -0.222 68.523 68.868 -0.206 0.000 0.884 639 T HN 0.545 nan 8.240 nan 0.000 0.479 640 R N -0.538 119.680 120.500 -0.470 0.000 2.335 640 R HA 0.293 4.631 4.340 -0.003 0.000 0.210 640 R C 1.514 177.628 176.300 -0.311 0.000 0.892 640 R CA 0.527 56.332 56.100 -0.493 0.000 1.048 640 R CB 0.558 30.311 30.300 -0.912 0.000 1.067 640 R HN 0.421 nan 8.270 nan 0.000 0.524 641 G N 2.360 111.016 108.800 -0.240 0.000 2.149 641 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.235 641 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.235 641 G C -0.233 174.622 174.900 -0.076 0.000 1.018 641 G CA -0.084 44.941 45.100 -0.125 0.000 0.728 641 G HN 0.028 nan 8.290 nan 0.000 0.508 642 K N 0.452 120.789 120.400 -0.105 0.000 2.143 642 K HA 0.483 4.801 4.320 -0.003 0.000 0.272 642 K C -2.410 174.282 176.600 0.154 0.000 1.001 642 K CA -1.806 54.514 56.287 0.055 0.000 0.915 642 K CB 1.486 34.002 32.500 0.027 0.000 1.047 642 K HN 0.104 nan 8.250 nan 0.000 0.458 643 P HA 0.266 nan 4.420 nan 0.000 0.281 643 P C -0.589 176.894 177.300 0.305 0.000 1.252 643 P CA -0.322 62.906 63.100 0.214 0.000 0.778 643 P CB 0.505 32.301 31.700 0.160 0.000 0.895 644 L N 4.701 126.086 121.223 0.269 0.000 2.272 644 L HA 0.428 4.766 4.340 -0.003 0.000 0.284 644 L C 0.079 177.191 176.870 0.404 0.000 1.045 644 L CA -0.227 54.836 54.840 0.372 0.000 0.842 644 L CB 0.069 42.283 42.059 0.259 0.000 1.224 644 L HN 0.260 nan 8.230 nan 0.000 0.430 645 I N 5.645 126.390 120.570 0.292 0.000 2.406 645 I HA 0.353 4.521 4.170 -0.003 0.000 0.290 645 I C -1.988 173.794 176.117 -0.560 0.000 0.999 645 I CA -2.124 59.142 61.300 -0.056 0.000 1.124 645 I CB 2.273 40.223 38.000 -0.082 0.000 1.289 645 I HN 0.329 nan 8.210 nan 0.000 0.441 646 P HA 0.129 nan 4.420 nan 0.000 0.265 646 P C -2.566 174.031 177.300 -1.172 0.000 1.193 646 P CA -1.091 60.762 63.100 -2.078 0.000 0.765 646 P CB -0.331 30.105 31.700 -2.107 0.000 0.823 647 P HA 0.128 nan 4.420 nan 0.000 0.267 647 P C 1.347 178.378 177.300 -0.448 0.000 1.200 647 P CA 0.022 62.741 63.100 -0.636 0.000 0.772 647 P CB 0.392 31.767 31.700 -0.542 0.000 0.855 648 R N 0.939 121.267 120.500 -0.286 0.000 2.133 648 R HA -0.160 4.179 4.340 -0.003 0.000 0.247 648 R C 1.673 177.871 176.300 -0.169 0.000 1.151 648 R CA 2.298 58.281 56.100 -0.195 0.000 0.971 648 R CB -0.959 29.269 30.300 -0.120 0.000 0.866 648 R HN 0.589 nan 8.270 nan 0.000 0.447 649 T N 0.425 114.867 114.554 -0.187 0.000 2.929 649 T HA -0.108 4.240 4.350 -0.003 0.000 0.271 649 T C 1.661 176.234 174.700 -0.211 0.000 1.085 649 T CA 1.392 63.384 62.100 -0.180 0.000 1.125 649 T CB -0.175 68.552 68.868 -0.236 0.000 0.874 649 T HN 0.511 nan 8.240 nan 0.000 0.494 650 I N -2.044 118.312 120.570 -0.357 0.000 4.240 650 I HA 0.436 4.605 4.170 -0.003 0.000 0.331 650 I C 1.577 177.556 176.117 -0.231 0.000 1.381 650 I CA -0.350 60.717 61.300 -0.389 0.000 1.136 650 I CB 0.016 37.623 38.000 -0.655 0.000 1.137 650 I HN -0.083 nan 8.210 nan 0.000 0.411 651 E N 2.555 122.664 120.200 -0.150 0.000 2.108 651 E HA -0.326 4.022 4.350 -0.003 0.000 0.203 651 E C 1.924 178.603 176.600 0.131 0.000 1.022 651 E CA 2.363 58.760 56.400 -0.005 0.000 0.823 651 E CB -0.564 29.121 29.700 -0.026 0.000 0.744 651 E HN 0.780 nan 8.360 nan 0.000 0.456 652 H N 0.955 120.026 119.070 0.001 0.000 2.460 652 H HA -0.064 4.490 4.556 -0.003 0.000 0.297 652 H C 1.560 176.803 175.328 -0.142 0.000 1.103 652 H CA 1.127 57.143 56.048 -0.053 0.000 1.292 652 H CB -0.152 29.556 29.762 -0.091 0.000 1.376 652 H HN 0.026 nan 8.280 nan 0.000 0.531 653 K N 0.649 120.575 120.400 -0.790 0.000 2.074 653 K HA -0.126 4.192 4.320 -0.003 0.000 0.209 653 K C -0.004 175.848 176.600 -1.247 0.000 1.048 653 K CA 1.236 56.905 56.287 -1.031 0.000 0.926 653 K CB -0.094 31.801 32.500 -1.009 0.000 0.713 653 K HN 0.414 nan 8.250 nan 0.000 0.444 654 Y N -1.090 118.859 120.300 -0.586 0.000 2.571 654 Y HA 0.218 4.767 4.550 -0.003 0.000 0.341 654 Y C 0.890 176.604 175.900 -0.310 0.000 1.076 654 Y CA -1.078 56.635 58.100 -0.644 0.000 1.029 654 Y CB 1.455 39.180 38.460 -1.226 0.000 1.308 654 Y HN -0.358 nan 8.280 nan 0.000 0.461 655 K N 0.444 120.824 120.400 -0.033 0.000 2.076 655 K HA -0.047 4.271 4.320 -0.003 0.000 0.204 655 K C -0.366 176.288 176.600 0.090 0.000 1.051 655 K CA 1.155 57.469 56.287 0.045 0.000 0.949 655 K CB 0.080 32.596 32.500 0.026 0.000 0.726 655 K HN 0.747 nan 8.250 nan 0.000 0.443 656 D N -1.826 118.572 120.400 -0.002 0.000 2.498 656 D HA 0.187 4.826 4.640 -0.003 0.000 0.247 656 D C -0.504 175.735 176.300 -0.102 0.000 1.070 656 D CA -0.623 53.409 54.000 0.054 0.000 0.842 656 D CB 0.897 41.724 40.800 0.044 0.000 1.361 656 D HN -0.068 nan 8.370 nan 0.000 0.484 657 W N 2.478 123.832 121.300 0.090 0.000 3.008 657 W HA 0.326 4.985 4.660 -0.003 0.000 0.355 657 W C 1.994 178.570 176.519 0.095 0.000 1.095 657 W CA -0.487 56.930 57.345 0.120 0.000 1.738 657 W CB 0.377 30.041 29.460 0.340 0.000 1.091 657 W HN 0.432 nan 8.180 nan 0.000 0.574 658 K N 0.890 121.416 120.400 0.211 0.000 2.063 658 K HA -0.198 4.120 4.320 -0.003 0.000 0.208 658 K C 0.877 177.505 176.600 0.047 0.000 1.048 658 K CA 2.235 58.593 56.287 0.119 0.000 0.928 658 K CB -0.041 32.503 32.500 0.073 0.000 0.713 658 K HN 0.044 nan 8.250 nan 0.000 0.442 659 D N -0.094 120.301 120.400 -0.008 0.000 2.084 659 D HA -0.168 4.470 4.640 -0.003 0.000 0.194 659 D C 1.556 177.821 176.300 -0.060 0.000 0.990 659 D CA 1.143 55.111 54.000 -0.053 0.000 0.826 659 D CB -0.262 40.484 40.800 -0.090 0.000 0.971 659 D HN 0.170 nan 8.370 nan 0.000 0.453 660 F N 1.124 120.914 119.950 -0.266 0.000 2.065 660 F HA -0.198 4.328 4.527 -0.003 0.000 0.298 660 F C 1.873 177.647 175.800 -0.045 0.000 1.112 660 F CA 1.434 59.298 58.000 -0.227 0.000 1.212 660 F CB -0.378 38.377 39.000 -0.409 0.000 0.975 660 F HN -0.063 nan 8.300 nan 0.000 0.476 661 L N -0.697 120.503 121.223 -0.039 0.000 2.027 661 L HA -0.211 4.127 4.340 -0.003 0.000 0.206 661 L C 2.434 179.186 176.870 -0.197 0.000 1.074 661 L CA 1.160 55.891 54.840 -0.182 0.000 0.745 661 L CB -0.871 41.135 42.059 -0.087 0.000 0.898 661 L HN 0.017 nan 8.230 nan 0.000 0.433 662 V N 0.375 120.221 119.914 -0.114 0.000 2.324 662 V HA -0.282 3.836 4.120 -0.003 0.000 0.250 662 V C 2.599 178.617 176.094 -0.127 0.000 1.060 662 V CA 2.104 64.345 62.300 -0.099 0.000 1.042 662 V CB -1.358 30.429 31.823 -0.060 0.000 0.650 662 V HN 0.618 nan 8.190 nan 0.000 0.450 663 G N -0.451 108.253 108.800 -0.160 0.000 2.422 663 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.218 663 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.218 663 G C 1.708 176.485 174.900 -0.204 0.000 1.146 663 G CA 0.390 45.391 45.100 -0.165 0.000 0.769 663 G HN 0.349 nan 8.290 nan 0.000 0.547 664 R N -0.200 120.114 120.500 -0.309 0.000 2.161 664 R HA 0.245 4.583 4.340 -0.003 0.000 0.213 664 R C 2.405 178.595 176.300 -0.183 0.000 1.055 664 R CA 0.263 56.191 56.100 -0.286 0.000 0.996 664 R CB -0.521 29.520 30.300 -0.432 0.000 0.901 664 R HN 0.395 nan 8.270 nan 0.000 0.456 665 L N 1.349 122.472 121.223 -0.168 0.000 2.446 665 L HA 0.083 4.421 4.340 -0.003 0.000 0.219 665 L C 0.804 177.619 176.870 -0.092 0.000 1.116 665 L CA -0.044 54.723 54.840 -0.122 0.000 0.844 665 L CB -0.169 41.820 42.059 -0.117 0.000 0.970 665 L HN 0.017 nan 8.230 nan 0.000 0.457 666 S N 0.654 116.300 115.700 -0.090 0.000 2.525 666 S HA 0.218 4.686 4.470 -0.003 0.000 0.285 666 S C 1.298 175.863 174.600 -0.060 0.000 1.283 666 S CA 0.059 58.219 58.200 -0.067 0.000 1.072 666 S CB 0.753 63.915 63.200 -0.063 0.000 0.867 666 S HN 0.516 nan 8.310 nan 0.000 0.492 667 G N 2.034 110.804 108.800 -0.050 0.000 2.321 667 G HA2 0.001 3.959 3.960 -0.003 0.000 0.287 667 G HA3 0.001 3.959 3.960 -0.003 0.000 0.287 667 G C 0.273 175.143 174.900 -0.050 0.000 1.018 667 G CA 0.195 45.269 45.100 -0.045 0.000 0.855 667 G HN 1.646 nan 8.290 nan 0.000 0.507 668 A N -0.740 122.045 122.820 -0.058 0.000 2.325 668 A HA 0.889 5.207 4.320 -0.003 0.000 0.333 668 A C 0.511 178.055 177.584 -0.066 0.000 1.155 668 A CA -0.595 51.404 52.037 -0.064 0.000 0.814 668 A CB 0.888 19.843 19.000 -0.074 0.000 1.206 668 A HN 0.468 nan 8.150 nan 0.000 0.482 669 R N 0.176 120.632 120.500 -0.073 0.000 2.531 669 R HA 0.586 4.925 4.340 -0.003 0.000 0.273 669 R C 0.005 176.244 176.300 -0.101 0.000 1.070 669 R CA 0.355 56.404 56.100 -0.084 0.000 1.112 669 R CB 1.118 31.363 30.300 -0.092 0.000 1.049 669 R HN 0.858 nan 8.270 nan 0.000 0.508 670 T N 0.215 114.703 114.554 -0.110 0.000 2.645 670 T HA 0.383 4.731 4.350 -0.003 0.000 0.273 670 T C -0.110 174.470 174.700 -0.200 0.000 0.960 670 T CA -1.044 60.974 62.100 -0.137 0.000 1.051 670 T CB 0.446 69.259 68.868 -0.091 0.000 1.366 670 T HN 0.217 nan 8.240 nan 0.000 0.536 671 L N 2.432 123.499 121.223 -0.259 0.000 2.525 671 L HA 0.213 4.552 4.340 -0.003 0.000 0.278 671 L C -2.004 174.720 176.870 -0.243 0.000 1.218 671 L CA -1.457 53.127 54.840 -0.426 0.000 0.878 671 L CB -0.560 41.172 42.059 -0.546 0.000 1.127 671 L HN 0.409 nan 8.230 nan 0.000 0.492 672 P HA -0.134 nan 4.420 nan 0.000 0.268 672 P C 0.839 178.154 177.300 0.025 0.000 1.171 672 P CA 0.354 63.425 63.100 -0.048 0.000 0.761 672 P CB 0.485 32.220 31.700 0.058 0.000 0.786 673 S N 1.751 117.469 115.700 0.031 0.000 2.427 673 S HA -0.247 4.221 4.470 -0.003 0.000 0.261 673 S C 1.048 175.694 174.600 0.077 0.000 1.091 673 S CA 1.900 60.127 58.200 0.046 0.000 1.251 673 S CB -0.538 62.686 63.200 0.040 0.000 1.160 673 S HN 0.551 nan 8.310 nan 0.000 0.436 674 N N 0.057 118.810 118.700 0.089 0.000 2.610 674 N HA 0.209 4.947 4.740 -0.003 0.000 0.309 674 N C 0.305 175.874 175.510 0.100 0.000 1.536 674 N CA -0.127 52.983 53.050 0.100 0.000 0.954 674 N CB 0.230 38.763 38.487 0.077 0.000 1.310 674 N HN 0.343 nan 8.380 nan 0.000 0.502 675 F N 1.152 121.050 119.950 -0.087 0.000 2.063 675 F HA -0.304 4.222 4.527 -0.003 0.000 0.298 675 F C 1.401 177.080 175.800 -0.202 0.000 1.105 675 F CA 1.921 59.789 58.000 -0.221 0.000 1.215 675 F CB -0.160 38.570 39.000 -0.449 0.000 0.972 675 F HN 0.210 nan 8.300 nan 0.000 0.483 676 Y N -0.316 119.992 120.300 0.012 0.000 2.420 676 Y HA -0.113 4.435 4.550 -0.003 0.000 0.292 676 Y C 2.289 178.154 175.900 -0.060 0.000 1.119 676 Y CA 0.595 58.645 58.100 -0.084 0.000 1.229 676 Y CB -0.455 38.028 38.460 0.038 0.000 1.026 676 Y HN 0.084 nan 8.280 nan 0.000 0.554 677 N N 0.529 119.302 118.700 0.122 0.000 2.142 677 N HA -0.148 4.590 4.740 -0.003 0.000 0.186 677 N C 1.578 177.108 175.510 0.033 0.000 1.023 677 N CA 1.223 54.321 53.050 0.080 0.000 0.852 677 N CB -0.237 38.300 38.487 0.083 0.000 0.998 677 N HN 0.355 nan 8.380 nan 0.000 0.424 678 K N 0.926 121.321 120.400 -0.008 0.000 2.063 678 K HA -0.045 4.273 4.320 -0.003 0.000 0.208 678 K C 2.004 178.587 176.600 -0.029 0.000 1.048 678 K CA 0.688 56.965 56.287 -0.017 0.000 0.928 678 K CB -0.244 32.237 32.500 -0.032 0.000 0.713 678 K HN 0.178 nan 8.250 nan 0.000 0.442 679 I N 2.359 122.871 120.570 -0.097 0.000 2.179 679 I HA -0.254 3.915 4.170 -0.003 0.000 0.242 679 I C 1.974 178.095 176.117 0.006 0.000 1.088 679 I CA 1.296 62.560 61.300 -0.060 0.000 1.357 679 I CB -1.260 36.681 38.000 -0.098 0.000 1.051 679 I HN 0.257 nan 8.210 nan 0.000 0.409 680 N N 0.795 119.509 118.700 0.023 0.000 2.244 680 N HA -0.162 4.576 4.740 -0.003 0.000 0.183 680 N C 1.328 176.859 175.510 0.036 0.000 1.016 680 N CA 1.144 54.212 53.050 0.030 0.000 0.866 680 N CB -0.030 38.481 38.487 0.040 0.000 0.980 680 N HN 0.389 nan 8.380 nan 0.000 0.430 681 D N 0.823 121.246 120.400 0.039 0.000 2.084 681 D HA -0.110 4.529 4.640 -0.003 0.000 0.194 681 D C 2.083 178.417 176.300 0.057 0.000 0.990 681 D CA 1.306 55.333 54.000 0.045 0.000 0.826 681 D CB -0.471 40.355 40.800 0.044 0.000 0.971 681 D HN 0.264 nan 8.370 nan 0.000 0.453 682 S N 0.149 115.888 115.700 0.065 0.000 2.474 682 S HA -0.097 4.371 4.470 -0.003 0.000 0.235 682 S C 1.781 176.446 174.600 0.107 0.000 0.997 682 S CA 0.251 58.507 58.200 0.093 0.000 0.949 682 S CB -0.256 63.008 63.200 0.106 0.000 0.766 682 S HN 0.064 nan 8.310 nan 0.000 0.517 683 L N 0.948 122.218 121.223 0.077 0.000 2.551 683 L HA 0.312 4.651 4.340 -0.003 0.000 0.228 683 L C 0.983 177.895 176.870 0.070 0.000 1.153 683 L CA 0.903 55.783 54.840 0.067 0.000 0.851 683 L CB -0.806 41.266 42.059 0.022 0.000 0.959 683 L HN 0.441 nan 8.230 nan 0.000 0.451 684 Q N -1.184 118.660 119.800 0.073 0.000 2.222 684 Q HA 0.287 4.626 4.340 -0.003 0.000 0.252 684 Q C -0.289 175.761 176.000 0.084 0.000 0.926 684 Q CA -0.291 55.552 55.803 0.067 0.000 0.899 684 Q CB 1.593 30.362 28.738 0.052 0.000 1.250 684 Q HN 0.137 nan 8.270 nan 0.000 0.441 685 S N 1.761 117.512 115.700 0.086 0.000 2.562 685 S HA 0.218 4.686 4.470 -0.003 0.000 0.275 685 S C 0.825 175.475 174.600 0.083 0.000 1.281 685 S CA -0.342 57.923 58.200 0.110 0.000 1.045 685 S CB 0.721 64.000 63.200 0.132 0.000 0.962 685 S HN 0.747 nan 8.310 nan 0.000 0.503 686 R N 2.131 122.673 120.500 0.069 0.000 2.152 686 R HA -0.009 4.329 4.340 -0.003 0.000 0.232 686 R C -0.119 176.052 176.300 -0.215 0.000 1.117 686 R CA 0.973 57.018 56.100 -0.091 0.000 0.981 686 R CB -0.153 30.031 30.300 -0.192 0.000 0.870 686 R HN 0.533 nan 8.270 nan 0.000 0.451 687 F N 0.561 120.462 119.950 -0.082 0.000 2.380 687 F HA 0.307 4.833 4.527 -0.003 0.000 0.321 687 F C 1.045 176.824 175.800 -0.035 0.000 1.103 687 F CA -0.651 57.301 58.000 -0.079 0.000 1.067 687 F CB 0.615 39.549 39.000 -0.110 0.000 1.265 687 F HN -0.150 nan 8.300 nan 0.000 0.517 688 R N 1.715 122.319 120.500 0.173 0.000 2.836 688 R HA 0.507 4.845 4.340 -0.003 0.000 0.269 688 R C -1.672 174.686 176.300 0.097 0.000 1.010 688 R CA -0.733 55.429 56.100 0.104 0.000 0.930 688 R CB 0.897 31.232 30.300 0.057 0.000 1.218 688 R HN 0.726 nan 8.270 nan 0.000 0.473 689 L N 1.493 122.754 121.223 0.064 0.000 2.490 689 L HA 0.176 4.514 4.340 -0.003 0.000 0.274 689 L C 1.299 178.196 176.870 0.044 0.000 1.201 689 L CA 1.511 56.378 54.840 0.044 0.000 0.869 689 L CB 0.436 42.513 42.059 0.030 0.000 1.123 689 L HN 1.144 nan 8.230 nan 0.000 0.484 690 G N 2.845 111.668 108.800 0.038 0.000 2.179 690 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.220 690 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.220 690 G C 0.016 174.950 174.900 0.058 0.000 0.990 690 G CA -0.573 44.550 45.100 0.038 0.000 0.646 690 G HN 0.413 nan 8.290 nan 0.000 0.517 691 L N 1.069 122.343 121.223 0.085 0.000 2.380 691 L HA 0.341 4.679 4.340 -0.003 0.000 0.273 691 L C 0.483 177.424 176.870 0.117 0.000 1.138 691 L CA -0.452 54.463 54.840 0.125 0.000 0.832 691 L CB 0.636 42.816 42.059 0.201 0.000 1.124 691 L HN 0.229 nan 8.230 nan 0.000 0.454 692 N N 3.284 122.064 118.700 0.134 0.000 2.479 692 N HA 0.596 5.335 4.740 -0.003 0.000 0.285 692 N C -0.974 174.649 175.510 0.188 0.000 1.075 692 N CA -0.622 52.501 53.050 0.122 0.000 0.967 692 N CB 1.285 39.840 38.487 0.114 0.000 1.137 692 N HN 0.287 nan 8.380 nan 0.000 0.472 693 L N -1.789 119.525 121.223 0.152 0.000 2.389 693 L HA 0.669 5.007 4.340 -0.003 0.000 0.249 693 L C -0.808 176.133 176.870 0.119 0.000 1.083 693 L CA -1.025 53.944 54.840 0.215 0.000 0.876 693 L CB 1.071 43.348 42.059 0.364 0.000 1.489 693 L HN 0.341 nan 8.230 nan 0.000 0.412 694 E N 0.030 120.308 120.200 0.129 0.000 2.134 694 E HA 0.547 4.896 4.350 -0.003 0.000 0.278 694 E C -1.411 175.243 176.600 0.089 0.000 0.959 694 E CA -0.576 55.896 56.400 0.120 0.000 0.783 694 E CB 1.777 31.595 29.700 0.197 0.000 1.095 694 E HN 0.679 nan 8.360 nan 0.000 0.399 695 C N 3.339 122.710 119.300 0.119 0.000 2.547 695 C HA 0.370 4.829 4.460 -0.003 0.000 0.313 695 C C -0.093 175.051 174.990 0.257 0.000 1.191 695 C CA -0.591 58.496 59.018 0.115 0.000 1.474 695 C CB 0.739 28.456 27.740 -0.039 0.000 2.081 695 C HN 0.586 nan 8.230 nan 0.000 0.476 696 V N 5.644 125.740 119.914 0.304 0.000 2.509 696 V HA 0.045 4.163 4.120 -0.003 0.000 0.297 696 V C 0.656 177.013 176.094 0.438 0.000 1.014 696 V CA 0.811 63.315 62.300 0.341 0.000 1.127 696 V CB 0.201 32.221 31.823 0.329 0.000 0.925 696 V HN 0.901 nan 8.190 nan 0.000 0.480 697 D N 5.104 125.659 120.400 0.258 0.000 2.363 697 D HA 0.010 4.648 4.640 -0.003 0.000 0.263 697 D C 1.268 177.676 176.300 0.181 0.000 1.258 697 D CA -0.231 53.816 54.000 0.077 0.000 0.907 697 D CB 1.008 41.765 40.800 -0.071 0.000 1.107 697 D HN 0.710 nan 8.370 nan 0.000 0.495 698 K N 2.291 122.874 120.400 0.305 0.000 2.360 698 K HA -0.106 4.213 4.320 -0.003 0.000 0.201 698 K C 0.509 177.173 176.600 0.107 0.000 1.046 698 K CA 1.076 57.507 56.287 0.240 0.000 0.945 698 K CB 0.318 33.023 32.500 0.342 0.000 0.750 698 K HN 0.185 nan 8.250 nan 0.000 0.464 699 D N 0.311 120.738 120.400 0.044 0.000 2.366 699 D HA 0.021 4.659 4.640 -0.003 0.000 0.205 699 D C 0.004 176.299 176.300 -0.008 0.000 1.022 699 D CA 0.404 54.404 54.000 0.000 0.000 0.868 699 D CB 0.414 41.191 40.800 -0.038 0.000 0.953 699 D HN 0.152 nan 8.370 nan 0.000 0.514 700 R N 1.313 121.821 120.500 0.013 0.000 2.984 700 R HA 0.172 4.510 4.340 -0.003 0.000 0.252 700 R C 1.084 177.437 176.300 0.089 0.000 1.842 700 R CA -0.060 56.052 56.100 0.020 0.000 1.389 700 R CB 0.005 30.296 30.300 -0.014 0.000 1.454 700 R HN -0.042 nan 8.270 nan 0.000 0.578 701 I N -0.740 119.913 120.570 0.139 0.000 2.850 701 I HA -0.083 4.086 4.170 -0.003 0.000 0.266 701 I C 1.277 177.572 176.117 0.296 0.000 1.257 701 I CA 1.386 62.844 61.300 0.264 0.000 1.465 701 I CB 0.109 38.313 38.000 0.340 0.000 1.091 701 I HN 0.321 nan 8.210 nan 0.000 0.467 702 S N 0.172 115.986 115.700 0.190 0.000 2.650 702 S HA 0.030 4.498 4.470 -0.003 0.000 0.219 702 S C 0.597 175.216 174.600 0.031 0.000 0.960 702 S CA -0.271 58.005 58.200 0.125 0.000 0.925 702 S CB -0.401 62.814 63.200 0.025 0.000 0.775 702 S HN 0.820 nan 8.310 nan 0.000 0.525 703 Q N 0.492 120.409 119.800 0.195 0.000 2.377 703 Q HA 0.564 4.902 4.340 -0.003 0.000 0.279 703 Q C -1.153 175.062 176.000 0.359 0.000 1.049 703 Q CA -1.043 54.898 55.803 0.231 0.000 0.825 703 Q CB 2.263 31.047 28.738 0.077 0.000 1.401 703 Q HN 0.264 nan 8.270 nan 0.000 0.404 704 V N 0.226 120.379 119.914 0.398 0.000 2.834 704 V HA 0.794 4.913 4.120 -0.003 0.000 0.313 704 V C -0.665 175.541 176.094 0.187 0.000 1.060 704 V CA -0.838 61.622 62.300 0.266 0.000 0.989 704 V CB 1.662 33.632 31.823 0.245 0.000 1.041 704 V HN 0.927 nan 8.190 nan 0.000 0.459 705 R N 2.241 122.841 120.500 0.166 0.000 2.575 705 R HA 0.569 4.908 4.340 -0.003 0.000 0.293 705 R C -0.949 175.474 176.300 0.206 0.000 0.983 705 R CA -0.873 55.321 56.100 0.156 0.000 0.887 705 R CB 1.920 32.196 30.300 -0.040 0.000 1.184 705 R HN 1.016 nan 8.270 nan 0.000 0.445 706 L N 3.540 124.823 121.223 0.099 0.000 2.540 706 L HA 0.291 4.630 4.340 -0.003 0.000 0.276 706 L C -0.580 176.418 176.870 0.214 0.000 1.212 706 L CA 0.487 55.293 54.840 -0.057 0.000 0.893 706 L CB 0.546 42.265 42.059 -0.567 0.000 1.138 706 L HN 0.879 nan 8.230 nan 0.000 0.491 707 A N 3.541 126.411 122.820 0.083 0.000 2.524 707 A HA 0.875 5.194 4.320 -0.003 0.000 0.286 707 A C -0.867 176.696 177.584 -0.035 0.000 1.203 707 A CA -0.531 51.516 52.037 0.017 0.000 0.736 707 A CB 1.966 20.871 19.000 -0.159 0.000 1.322 707 A HN 0.573 nan 8.150 nan 0.000 0.424 708 T N 0.435 114.928 114.554 -0.101 0.000 2.921 708 T HA 0.467 4.816 4.350 -0.003 0.000 0.297 708 T C -0.814 173.811 174.700 -0.125 0.000 1.013 708 T CA -0.389 61.673 62.100 -0.064 0.000 0.990 708 T CB 1.412 70.269 68.868 -0.017 0.000 1.023 708 T HN 0.625 nan 8.240 nan 0.000 0.447 709 V N 3.845 123.707 119.914 -0.088 0.000 2.450 709 V HA 0.128 4.247 4.120 -0.003 0.000 0.281 709 V C 1.114 177.173 176.094 -0.058 0.000 1.019 709 V CA 0.641 62.875 62.300 -0.110 0.000 1.062 709 V CB 0.375 32.165 31.823 -0.056 0.000 0.979 709 V HN 1.100 nan 8.190 nan 0.000 0.477 710 T N 4.055 118.570 114.554 -0.066 0.000 2.999 710 T HA 0.202 4.551 4.350 -0.003 0.000 0.247 710 T C 0.510 175.182 174.700 -0.046 0.000 1.012 710 T CA 0.357 62.437 62.100 -0.034 0.000 1.048 710 T CB 0.313 69.180 68.868 -0.002 0.000 1.020 710 T HN 0.562 nan 8.240 nan 0.000 0.478 711 K N 0.675 121.030 120.400 -0.076 0.000 2.469 711 K HA 0.699 5.017 4.320 -0.003 0.000 0.254 711 K C -1.588 175.046 176.600 0.057 0.000 0.939 711 K CA -0.608 55.666 56.287 -0.021 0.000 0.812 711 K CB 2.780 35.243 32.500 -0.062 0.000 1.301 711 K HN 0.015 nan 8.250 nan 0.000 0.433 712 I N 2.080 122.749 120.570 0.164 0.000 2.468 712 I HA 0.274 4.442 4.170 -0.003 0.000 0.285 712 I C -1.070 175.200 176.117 0.255 0.000 1.039 712 I CA -1.142 60.292 61.300 0.224 0.000 1.074 712 I CB 2.060 40.137 38.000 0.128 0.000 1.228 712 I HN 0.306 nan 8.210 nan 0.000 0.436 713 V N 3.491 123.610 119.914 0.341 0.000 2.483 713 V HA 0.809 4.927 4.120 -0.003 0.000 0.297 713 V C 0.611 176.788 176.094 0.139 0.000 1.027 713 V CA -0.185 62.213 62.300 0.163 0.000 0.855 713 V CB 1.250 33.117 31.823 0.073 0.000 0.995 713 V HN 1.029 nan 8.190 nan 0.000 0.424 714 G N 4.772 113.599 108.800 0.046 0.000 2.266 714 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.269 714 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.269 714 G C 0.345 175.404 174.900 0.265 0.000 0.863 714 G CA 0.965 46.117 45.100 0.088 0.000 1.268 714 G HN 1.667 nan 8.290 nan 0.000 0.426 715 D N -1.987 118.506 120.400 0.155 0.000 3.006 715 D HA -0.194 4.445 4.640 -0.003 0.000 0.208 715 D C 1.098 177.320 176.300 -0.129 0.000 1.116 715 D CA 1.927 55.941 54.000 0.024 0.000 0.998 715 D CB -0.681 40.141 40.800 0.038 0.000 1.124 715 D HN 0.871 nan 8.370 nan 0.000 0.413 716 R N 0.100 120.682 120.500 0.138 0.000 2.297 716 R HA 0.602 4.940 4.340 -0.003 0.000 0.308 716 R C 0.209 176.742 176.300 0.388 0.000 1.029 716 R CA -0.387 55.869 56.100 0.259 0.000 0.929 716 R CB 1.070 31.602 30.300 0.387 0.000 1.046 716 R HN 0.083 nan 8.270 nan 0.000 0.461 717 L N 3.064 124.439 121.223 0.253 0.000 2.325 717 L HA 0.481 4.819 4.340 -0.003 0.000 0.278 717 L C -0.502 176.280 176.870 -0.146 0.000 1.023 717 L CA -0.810 54.048 54.840 0.029 0.000 0.811 717 L CB 1.045 42.947 42.059 -0.262 0.000 1.249 717 L HN 0.450 nan 8.230 nan 0.000 0.431 718 F N 3.183 122.706 119.950 -0.712 0.000 2.415 718 F HA 0.552 5.077 4.527 -0.003 0.000 0.348 718 F C -0.691 174.718 175.800 -0.651 0.000 1.119 718 F CA -0.433 56.943 58.000 -1.041 0.000 1.069 718 F CB 0.919 38.968 39.000 -1.585 0.000 1.124 718 F HN 0.210 nan 8.300 nan 0.000 0.472 719 L N 7.136 127.535 121.223 -1.372 0.000 2.294 719 L HA 0.499 4.837 4.340 -0.003 0.000 0.283 719 L C -0.228 175.939 176.870 -1.172 0.000 1.015 719 L CA -0.553 53.664 54.840 -1.038 0.000 0.831 719 L CB 1.379 42.838 42.059 -1.001 0.000 1.217 719 L HN 0.545 nan 8.230 nan 0.000 0.420 720 R N 3.023 123.176 120.500 -0.578 0.000 2.294 720 R HA 0.386 4.724 4.340 -0.003 0.000 0.319 720 R C -0.935 175.191 176.300 -0.290 0.000 0.984 720 R CA -0.541 55.353 56.100 -0.343 0.000 0.861 720 R CB 0.838 31.124 30.300 -0.023 0.000 1.104 720 R HN 0.437 nan 8.270 nan 0.000 0.451 721 Y N 3.321 123.537 120.300 -0.140 0.000 2.426 721 Y HA -0.063 4.485 4.550 -0.003 0.000 0.344 721 Y C 1.465 177.324 175.900 -0.069 0.000 1.256 721 Y CA -0.415 57.628 58.100 -0.096 0.000 1.451 721 Y CB 0.400 38.774 38.460 -0.144 0.000 1.342 721 Y HN 0.647 nan 8.280 nan 0.000 0.600 722 F N -0.207 119.798 119.950 0.091 0.000 2.234 722 F HA -0.115 4.411 4.527 -0.002 0.000 0.299 722 F C 1.121 176.933 175.800 0.020 0.000 1.087 722 F CA 0.955 58.964 58.000 0.016 0.000 1.340 722 F CB -0.287 38.693 39.000 -0.033 0.000 1.031 722 F HN 0.396 nan 8.300 nan 0.000 0.500 723 D N -0.494 119.416 120.400 -0.818 0.000 2.368 723 D HA 0.245 4.884 4.640 -0.003 0.000 0.218 723 D C 0.225 176.353 176.300 -0.286 0.000 1.112 723 D CA 0.036 53.668 54.000 -0.614 0.000 0.834 723 D CB 0.326 40.532 40.800 -0.991 0.000 0.953 723 D HN 0.218 nan 8.370 nan 0.000 0.505 724 S N 0.156 115.754 115.700 -0.169 0.000 2.570 724 S HA 0.314 4.782 4.470 -0.003 0.000 0.270 724 S C -1.491 173.106 174.600 -0.006 0.000 1.149 724 S CA -0.699 57.460 58.200 -0.068 0.000 0.837 724 S CB 1.437 64.623 63.200 -0.024 0.000 1.124 724 S HN 0.143 nan 8.310 nan 0.000 0.465 725 D N 1.377 121.785 120.400 0.014 0.000 2.615 725 D HA 0.257 4.896 4.640 -0.003 0.000 0.236 725 D C -0.275 176.068 176.300 0.071 0.000 1.233 725 D CA -0.157 53.861 54.000 0.029 0.000 0.829 725 D CB 0.040 40.844 40.800 0.007 0.000 1.024 725 D HN 0.322 nan 8.370 nan 0.000 0.490 726 D N -0.887 119.575 120.400 0.104 0.000 2.340 726 D HA 0.746 5.384 4.640 -0.003 0.000 0.243 726 D C 0.249 176.574 176.300 0.041 0.000 0.988 726 D CA -0.162 53.931 54.000 0.155 0.000 0.959 726 D CB 1.903 42.816 40.800 0.188 0.000 1.226 726 D HN 0.210 nan 8.370 nan 0.000 0.509 727 G N -0.353 108.415 108.800 -0.052 0.000 2.360 727 G HA2 0.455 4.413 3.960 -0.003 0.000 0.276 727 G HA3 0.455 4.413 3.960 -0.003 0.000 0.276 727 G C -1.771 172.825 174.900 -0.506 0.000 1.256 727 G CA -0.284 44.372 45.100 -0.741 0.000 0.890 727 G HN 0.698 nan 8.290 nan 0.000 0.486 728 F N -2.821 116.518 119.950 -1.018 0.000 2.686 728 F HA 0.800 5.325 4.527 -0.003 0.000 0.311 728 F C -1.549 173.825 175.800 -0.710 0.000 1.128 728 F CA -2.361 55.290 58.000 -0.581 0.000 0.946 728 F CB 0.713 39.618 39.000 -0.157 0.000 1.336 728 F HN 0.566 nan 8.300 nan 0.000 0.457 729 W N 1.660 123.086 121.300 0.210 0.000 2.261 729 W HA 0.548 5.207 4.660 -0.003 0.000 0.323 729 W C -0.127 176.586 176.519 0.324 0.000 1.243 729 W CA 0.126 57.613 57.345 0.237 0.000 1.210 729 W CB 1.447 31.096 29.460 0.314 0.000 1.149 729 W HN 0.949 nan 8.180 nan 0.000 0.562 730 C N 1.124 120.695 119.300 0.452 0.000 3.311 730 C HA 0.485 4.943 4.460 -0.003 0.000 0.325 730 C C -0.531 174.624 174.990 0.274 0.000 1.352 730 C CA -1.281 57.952 59.018 0.358 0.000 1.308 730 C CB 0.759 28.717 27.740 0.363 0.000 1.619 730 C HN 0.790 nan 8.230 nan 0.000 0.469 731 H N 0.721 119.893 119.070 0.171 0.000 2.732 731 H HA 0.241 4.796 4.556 -0.003 0.000 0.351 731 H C 1.344 176.706 175.328 0.058 0.000 1.090 731 H CA 1.354 57.491 56.048 0.148 0.000 1.431 731 H CB 0.950 30.789 29.762 0.127 0.000 1.447 731 H HN 0.901 nan 8.280 nan 0.000 0.582 732 E N 1.968 122.068 120.200 -0.166 0.000 2.217 732 E HA -0.352 3.997 4.350 -0.003 0.000 0.219 732 E C 0.587 177.305 176.600 0.196 0.000 1.070 732 E CA 2.314 58.693 56.400 -0.035 0.000 0.889 732 E CB 0.098 29.776 29.700 -0.037 0.000 0.768 732 E HN 0.737 nan 8.360 nan 0.000 0.465 733 D N -0.426 120.246 120.400 0.454 0.000 2.339 733 D HA 0.013 4.652 4.640 -0.003 0.000 0.217 733 D C 0.056 176.430 176.300 0.122 0.000 1.050 733 D CA 0.371 54.517 54.000 0.244 0.000 0.856 733 D CB 0.195 41.092 40.800 0.162 0.000 0.922 733 D HN 0.121 nan 8.370 nan 0.000 0.518 734 S N 1.007 116.781 115.700 0.123 0.000 2.576 734 S HA 0.172 4.640 4.470 -0.003 0.000 0.276 734 S C -1.460 173.160 174.600 0.034 0.000 1.339 734 S CA -0.912 57.329 58.200 0.069 0.000 1.039 734 S CB 1.731 64.989 63.200 0.096 0.000 0.902 734 S HN -0.078 nan 8.310 nan 0.000 0.516 735 P HA 0.040 nan 4.420 nan 0.000 0.242 735 P C 1.051 178.289 177.300 -0.103 0.000 1.197 735 P CA 0.478 63.595 63.100 0.028 0.000 0.765 735 P CB -0.361 31.429 31.700 0.150 0.000 0.936 736 I N -3.132 117.391 120.570 -0.078 0.000 3.956 736 I HA 0.255 4.423 4.170 -0.003 0.000 0.333 736 I C 0.788 176.782 176.117 -0.204 0.000 1.302 736 I CA -0.600 60.656 61.300 -0.073 0.000 1.122 736 I CB -0.322 37.763 38.000 0.141 0.000 1.013 736 I HN -0.254 nan 8.210 nan 0.000 0.405 737 I N -0.683 119.676 120.570 -0.351 0.000 2.562 737 I HA 0.612 4.780 4.170 -0.003 0.000 0.301 737 I C -0.662 175.062 176.117 -0.656 0.000 1.003 737 I CA -0.371 60.759 61.300 -0.283 0.000 1.127 737 I CB 1.457 39.442 38.000 -0.025 0.000 1.304 737 I HN -0.053 nan 8.210 nan 0.000 0.446 738 H N 3.013 121.909 119.070 -0.290 0.000 2.980 738 H HA 0.497 5.051 4.556 -0.003 0.000 0.367 738 H C -2.720 172.091 175.328 -0.862 0.000 1.206 738 H CA -1.537 53.988 56.048 -0.871 0.000 1.126 738 H CB 2.439 31.422 29.762 -1.298 0.000 1.838 738 H HN 0.449 nan 8.280 nan 0.000 0.552 739 P HA -0.016 nan 4.420 nan 0.000 0.274 739 P C 0.204 177.516 177.300 0.020 0.000 1.246 739 P CA -0.384 62.422 63.100 -0.490 0.000 0.795 739 P CB 1.095 32.572 31.700 -0.372 0.000 1.006 740 V N -0.233 119.775 119.914 0.157 0.000 2.585 740 V HA 0.416 4.534 4.120 -0.003 0.000 0.296 740 V C 1.246 177.419 176.094 0.133 0.000 1.035 740 V CA 1.283 63.724 62.300 0.233 0.000 1.084 740 V CB -0.578 31.429 31.823 0.306 0.000 0.953 740 V HN 1.034 nan 8.190 nan 0.000 0.483 741 G N 4.203 113.082 108.800 0.132 0.000 2.213 741 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.236 741 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.236 741 G C 0.454 175.388 174.900 0.057 0.000 0.991 741 G CA 0.827 45.944 45.100 0.028 0.000 0.629 741 G HN 1.436 nan 8.290 nan 0.000 0.517 742 W N 1.520 122.783 121.300 -0.063 0.000 2.335 742 W HA 0.156 4.815 4.660 -0.002 0.000 0.311 742 W C 2.507 178.954 176.519 -0.120 0.000 1.213 742 W CA 3.476 60.753 57.345 -0.114 0.000 1.274 742 W CB -0.509 28.847 29.460 -0.174 0.000 1.148 742 W HN 0.601 nan 8.180 nan 0.000 0.498 743 A N -0.219 122.619 122.820 0.029 0.000 1.883 743 A HA -0.265 4.054 4.320 -0.003 0.000 0.217 743 A C 2.007 179.471 177.584 -0.200 0.000 1.186 743 A CA 3.104 55.062 52.037 -0.131 0.000 0.624 743 A CB -1.721 17.378 19.000 0.166 0.000 0.822 743 A HN 0.451 nan 8.150 nan 0.000 0.444 744 T N -4.036 110.455 114.554 -0.105 0.000 3.043 744 T HA -0.040 4.308 4.350 -0.003 0.000 0.263 744 T C 1.717 176.335 174.700 -0.138 0.000 1.094 744 T CA 1.773 63.810 62.100 -0.105 0.000 1.127 744 T CB -0.630 68.198 68.868 -0.066 0.000 0.905 744 T HN 0.305 nan 8.240 nan 0.000 0.490 745 T N 1.783 116.232 114.554 -0.175 0.000 2.674 745 T HA -0.010 4.338 4.350 -0.003 0.000 0.265 745 T C 1.994 176.623 174.700 -0.119 0.000 1.039 745 T CA 1.387 63.406 62.100 -0.135 0.000 1.150 745 T CB -0.531 68.231 68.868 -0.178 0.000 0.864 745 T HN 0.239 nan 8.240 nan 0.000 0.427 746 V N 0.163 119.862 119.914 -0.359 0.000 2.788 746 V HA 0.235 4.353 4.120 -0.003 0.000 0.251 746 V C 1.959 177.889 176.094 -0.273 0.000 1.068 746 V CA 1.284 63.369 62.300 -0.358 0.000 1.090 746 V CB -0.568 30.621 31.823 -1.056 0.000 0.710 746 V HN 0.788 nan 8.190 nan 0.000 0.467 747 G N -0.647 107.995 108.800 -0.265 0.000 2.130 747 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.216 747 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.216 747 G C 0.161 174.972 174.900 -0.150 0.000 0.999 747 G CA 0.123 45.122 45.100 -0.168 0.000 0.686 747 G HN 0.572 nan 8.290 nan 0.000 0.515 748 H N 0.754 119.627 119.070 -0.328 0.000 2.505 748 H HA 0.386 4.940 4.556 -0.003 0.000 0.351 748 H C 0.368 175.636 175.328 -0.100 0.000 1.151 748 H CA -0.377 55.534 56.048 -0.228 0.000 1.339 748 H CB 0.708 30.244 29.762 -0.376 0.000 1.483 748 H HN 0.169 nan 8.280 nan 0.000 0.558 749 N N 2.334 120.868 118.700 -0.277 0.000 2.454 749 N HA 0.057 4.795 4.740 -0.003 0.000 0.254 749 N C -0.531 175.054 175.510 0.126 0.000 1.228 749 N CA -0.157 52.844 53.050 -0.081 0.000 0.900 749 N CB 0.531 38.926 38.487 -0.154 0.000 1.089 749 N HN 0.364 nan 8.380 nan 0.000 0.449 750 L N 1.014 122.292 121.223 0.092 0.000 2.386 750 L HA 0.756 5.094 4.340 -0.003 0.000 0.271 750 L C -1.146 175.777 176.870 0.089 0.000 0.993 750 L CA -0.873 54.044 54.840 0.129 0.000 0.819 750 L CB 1.756 43.895 42.059 0.133 0.000 1.294 750 L HN 0.571 nan 8.230 nan 0.000 0.414 751 A N 4.052 126.931 122.820 0.097 0.000 2.311 751 A HA 1.002 5.320 4.320 -0.003 0.000 0.306 751 A C -0.782 176.832 177.584 0.051 0.000 1.189 751 A CA 0.267 52.370 52.037 0.109 0.000 0.791 751 A CB 0.909 19.991 19.000 0.137 0.000 1.172 751 A HN 1.411 nan 8.150 nan 0.000 0.481 752 A N 3.416 126.168 122.820 -0.113 0.000 2.586 752 A HA 0.904 5.222 4.320 -0.003 0.000 0.290 752 A C -3.246 174.028 177.584 -0.517 0.000 1.086 752 A CA -1.297 50.345 52.037 -0.658 0.000 0.665 752 A CB 0.492 19.206 19.000 -0.477 0.000 1.279 752 A HN 0.520 nan 8.150 nan 0.000 0.423 753 P HA 0.144 nan 4.420 nan 0.000 0.270 753 P C 0.654 177.928 177.300 -0.043 0.000 1.227 753 P CA -0.037 62.925 63.100 -0.231 0.000 0.788 753 P CB 0.490 32.071 31.700 -0.199 0.000 0.926 754 Q N 0.696 120.504 119.800 0.013 0.000 2.030 754 Q HA -0.250 4.088 4.340 -0.003 0.000 0.204 754 Q C 1.012 177.036 176.000 0.040 0.000 0.986 754 Q CA 2.199 58.020 55.803 0.030 0.000 0.843 754 Q CB -0.333 28.423 28.738 0.031 0.000 0.904 754 Q HN 0.448 nan 8.270 nan 0.000 0.420 755 D N -0.872 119.556 120.400 0.047 0.000 2.149 755 D HA -0.192 4.446 4.640 -0.003 0.000 0.198 755 D C 1.387 177.734 176.300 0.078 0.000 0.990 755 D CA 1.219 55.253 54.000 0.056 0.000 0.839 755 D CB -0.258 40.578 40.800 0.061 0.000 0.948 755 D HN 0.378 nan 8.370 nan 0.000 0.460 756 Y N 0.480 120.755 120.300 -0.043 0.000 2.206 756 Y HA -0.088 4.461 4.550 -0.001 0.000 0.292 756 Y C 1.846 177.718 175.900 -0.047 0.000 1.123 756 Y CA 0.728 58.801 58.100 -0.045 0.000 1.142 756 Y CB -0.093 38.301 38.460 -0.109 0.000 1.006 756 Y HN -0.136 nan 8.280 nan 0.000 0.518 757 L N 0.973 122.284 121.223 0.147 0.000 2.081 757 L HA -0.243 4.096 4.340 -0.003 0.000 0.212 757 L C 2.213 179.069 176.870 -0.023 0.000 1.080 757 L CA 1.827 56.702 54.840 0.057 0.000 0.754 757 L CB -1.029 41.062 42.059 0.053 0.000 0.893 757 L HN 0.337 nan 8.230 nan 0.000 0.433 758 E N -1.368 118.820 120.200 -0.020 0.000 2.072 758 E HA -0.182 4.166 4.350 -0.003 0.000 0.191 758 E C 2.374 178.929 176.600 -0.075 0.000 0.985 758 E CA 0.528 56.907 56.400 -0.035 0.000 0.801 758 E CB -0.088 29.603 29.700 -0.014 0.000 0.750 758 E HN 0.299 nan 8.360 nan 0.000 0.452 759 R N 0.186 120.620 120.500 -0.109 0.000 2.091 759 R HA -0.150 4.188 4.340 -0.003 0.000 0.238 759 R C 2.177 178.346 176.300 -0.218 0.000 1.136 759 R CA 1.295 57.294 56.100 -0.169 0.000 0.959 759 R CB -0.040 30.130 30.300 -0.217 0.000 0.856 759 R HN 0.192 nan 8.270 nan 0.000 0.437 760 M N -0.114 119.323 119.600 -0.271 0.000 2.156 760 M HA -0.115 4.363 4.480 -0.003 0.000 0.264 760 M C 2.189 178.407 176.300 -0.136 0.000 1.067 760 M CA 1.089 56.250 55.300 -0.232 0.000 1.131 760 M CB -0.938 31.524 32.600 -0.231 0.000 1.368 760 M HN 0.072 nan 8.290 nan 0.000 0.416 761 L N 0.366 121.527 121.223 -0.103 0.000 2.083 761 L HA -0.026 4.312 4.340 -0.003 0.000 0.209 761 L C 2.213 179.040 176.870 -0.072 0.000 1.083 761 L CA 1.517 56.313 54.840 -0.072 0.000 0.752 761 L CB -1.276 40.753 42.059 -0.051 0.000 0.899 761 L HN 0.282 nan 8.230 nan 0.000 0.433 762 A N -1.404 121.369 122.820 -0.079 0.000 2.291 762 A HA 0.400 4.718 4.320 -0.003 0.000 0.220 762 A C 1.807 179.340 177.584 -0.085 0.000 1.262 762 A CA 0.726 52.720 52.037 -0.072 0.000 0.867 762 A CB -0.849 18.113 19.000 -0.065 0.000 0.888 762 A HN 0.390 nan 8.150 nan 0.000 0.487 763 G N -1.343 107.398 108.800 -0.097 0.000 3.104 763 G HA2 0.142 4.101 3.960 -0.003 0.000 0.237 763 G HA3 0.142 4.101 3.960 -0.003 0.000 0.237 763 G C 1.326 176.173 174.900 -0.088 0.000 1.035 763 G CA 0.353 45.392 45.100 -0.102 0.000 0.844 763 G HN 0.357 nan 8.290 nan 0.000 0.531 764 R N 0.409 120.862 120.500 -0.078 0.000 2.342 764 R HA 0.156 4.495 4.340 -0.003 0.000 0.204 764 R C 1.139 177.404 176.300 -0.058 0.000 0.882 764 R CA 0.250 56.309 56.100 -0.069 0.000 1.041 764 R CB 0.144 30.402 30.300 -0.070 0.000 1.188 764 R HN 0.103 nan 8.270 nan 0.000 0.598 765 E N 0.589 120.756 120.200 -0.055 0.000 2.299 765 E HA 0.077 4.425 4.350 -0.003 0.000 0.193 765 E C 0.870 177.443 176.600 -0.045 0.000 0.998 765 E CA 0.992 57.365 56.400 -0.046 0.000 0.851 765 E CB 0.767 30.443 29.700 -0.041 0.000 0.795 765 E HN 0.420 nan 8.360 nan 0.000 0.492 766 A N -0.082 122.707 122.820 -0.051 0.000 1.958 766 A HA 0.555 4.873 4.320 -0.003 0.000 0.185 766 A C -0.091 177.460 177.584 -0.055 0.000 1.833 766 A CA -0.270 51.738 52.037 -0.048 0.000 1.630 766 A CB 0.648 19.621 19.000 -0.045 0.000 1.437 766 A HN 0.037 nan 8.150 nan 0.000 0.732 767 M N 0.478 120.042 119.600 -0.061 0.000 2.501 767 M HA 0.470 4.949 4.480 -0.003 0.000 0.293 767 M C -1.019 175.232 176.300 -0.082 0.000 1.192 767 M CA -0.324 54.937 55.300 -0.066 0.000 0.886 767 M CB 2.365 34.931 32.600 -0.057 0.000 1.710 767 M HN 0.543 nan 8.290 nan 0.000 0.457 768 I N 3.181 123.699 120.570 -0.087 0.000 2.587 768 I HA 0.002 4.170 4.170 -0.003 0.000 0.284 768 I C -0.054 175.993 176.117 -0.117 0.000 1.134 768 I CA 0.293 61.530 61.300 -0.105 0.000 1.410 768 I CB 0.420 38.363 38.000 -0.095 0.000 1.392 768 I HN 0.656 nan 8.210 nan 0.000 0.545 769 E N 7.151 127.255 120.200 -0.160 0.000 2.046 769 E HA 0.304 4.653 4.350 -0.003 0.000 0.279 769 E C -0.927 175.500 176.600 -0.288 0.000 0.989 769 E CA -0.777 55.497 56.400 -0.211 0.000 0.798 769 E CB 1.404 30.963 29.700 -0.235 0.000 1.086 769 E HN 0.322 nan 8.360 nan 0.000 0.399 770 V N 3.911 123.701 119.914 -0.207 0.000 2.432 770 V HA 0.131 4.249 4.120 -0.003 0.000 0.275 770 V C -0.132 175.871 176.094 -0.151 0.000 1.043 770 V CA -0.376 61.837 62.300 -0.145 0.000 0.925 770 V CB 0.432 32.223 31.823 -0.053 0.000 0.985 770 V HN 0.694 nan 8.190 nan 0.000 0.466 771 H N 2.076 121.158 119.070 0.020 0.000 2.502 771 H HA 0.228 4.783 4.556 -0.002 0.000 0.338 771 H C 0.911 176.263 175.328 0.040 0.000 1.155 771 H CA -0.543 55.523 56.048 0.030 0.000 1.237 771 H CB 1.674 31.461 29.762 0.043 0.000 1.534 771 H HN 0.722 nan 8.280 nan 0.000 0.523 772 E N 0.807 121.122 120.200 0.192 0.000 2.273 772 E HA -0.206 4.142 4.350 -0.003 0.000 0.198 772 E C 0.122 176.780 176.600 0.097 0.000 1.002 772 E CA 1.222 57.687 56.400 0.108 0.000 0.828 772 E CB 0.214 29.959 29.700 0.076 0.000 0.747 772 E HN 0.564 nan 8.360 nan 0.000 0.491 773 D N 0.515 120.986 120.400 0.119 0.000 2.402 773 D HA 0.050 4.688 4.640 -0.003 0.000 0.216 773 D C -0.820 175.567 176.300 0.145 0.000 1.128 773 D CA -0.007 54.058 54.000 0.108 0.000 0.833 773 D CB 0.156 41.005 40.800 0.081 0.000 0.971 773 D HN 0.045 nan 8.370 nan 0.000 0.503 774 D N 1.090 121.590 120.400 0.166 0.000 2.383 774 D HA 0.265 4.903 4.640 -0.003 0.000 0.252 774 D C 0.328 176.735 176.300 0.180 0.000 1.166 774 D CA 0.032 54.144 54.000 0.186 0.000 0.879 774 D CB 1.048 41.945 40.800 0.161 0.000 1.164 774 D HN -0.010 nan 8.370 nan 0.000 0.462 775 A N 2.982 125.954 122.820 0.253 0.000 2.347 775 A HA 0.464 4.782 4.320 -0.003 0.000 0.287 775 A C 0.479 178.299 177.584 0.393 0.000 1.199 775 A CA -0.302 51.929 52.037 0.323 0.000 0.851 775 A CB 0.051 19.391 19.000 0.567 0.000 1.118 775 A HN 0.478 nan 8.150 nan 0.000 0.525 776 T N 1.970 116.697 114.554 0.289 0.000 2.937 776 T HA 0.349 4.697 4.350 -0.003 0.000 0.283 776 T C 1.464 176.374 174.700 0.349 0.000 1.012 776 T CA -0.379 61.869 62.100 0.247 0.000 0.997 776 T CB 0.823 69.767 68.868 0.126 0.000 1.136 776 T HN 0.449 nan 8.240 nan 0.000 0.551 777 I N 1.701 122.410 120.570 0.233 0.000 2.185 777 I HA -0.239 3.929 4.170 -0.003 0.000 0.246 777 I C 2.560 178.854 176.117 0.295 0.000 1.088 777 I CA 1.779 63.238 61.300 0.265 0.000 1.347 777 I CB -0.350 37.777 38.000 0.211 0.000 1.041 777 I HN 0.831 nan 8.210 nan 0.000 0.415 778 E N 0.656 120.956 120.200 0.167 0.000 2.333 778 E HA -0.224 4.125 4.350 -0.003 0.000 0.198 778 E C 1.854 178.458 176.600 0.006 0.000 1.007 778 E CA 1.379 57.826 56.400 0.077 0.000 0.845 778 E CB -0.728 28.992 29.700 0.033 0.000 0.766 778 E HN 0.616 nan 8.360 nan 0.000 0.507 779 L N -0.312 120.885 121.223 -0.043 0.000 2.558 779 L HA 0.215 4.554 4.340 -0.003 0.000 0.225 779 L C 0.349 176.928 176.870 -0.485 0.000 1.128 779 L CA -0.031 54.529 54.840 -0.467 0.000 0.868 779 L CB -0.095 41.328 42.059 -1.060 0.000 1.006 779 L HN -0.089 nan 8.230 nan 0.000 0.454 780 F N -0.007 119.936 119.950 -0.012 0.000 2.458 780 F HA 0.366 4.891 4.527 -0.003 0.000 0.330 780 F C 0.591 176.407 175.800 0.026 0.000 1.082 780 F CA -0.899 57.143 58.000 0.070 0.000 0.995 780 F CB 1.101 40.144 39.000 0.071 0.000 1.170 780 F HN -0.267 nan 8.300 nan 0.000 0.478 781 K N 3.825 124.341 120.400 0.193 0.000 2.227 781 K HA 0.561 4.879 4.320 -0.003 0.000 0.280 781 K C -1.195 175.432 176.600 0.046 0.000 1.041 781 K CA -0.222 56.120 56.287 0.091 0.000 0.905 781 K CB 0.576 33.128 32.500 0.087 0.000 1.068 781 K HN 0.738 nan 8.250 nan 0.000 0.470 782 M N 3.363 122.921 119.600 -0.069 0.000 2.465 782 M HA 0.204 4.682 4.480 -0.003 0.000 0.316 782 M C 0.538 176.717 176.300 -0.202 0.000 1.121 782 M CA -0.589 54.579 55.300 -0.220 0.000 0.934 782 M CB 1.901 34.144 32.600 -0.595 0.000 1.692 782 M HN 0.600 nan 8.290 nan 0.000 0.444 783 N N 1.703 120.337 118.700 -0.110 0.000 2.370 783 N HA 0.165 4.904 4.740 -0.003 0.000 0.198 783 N C -1.296 174.230 175.510 0.027 0.000 1.156 783 N CA 0.269 53.295 53.050 -0.039 0.000 0.839 783 N CB 0.420 38.887 38.487 -0.033 0.000 0.989 783 N HN 0.503 nan 8.380 nan 0.000 0.468 784 F N -2.388 117.431 119.950 -0.218 0.000 2.831 784 F HA 0.504 5.029 4.527 -0.004 0.000 0.318 784 F C -1.252 174.432 175.800 -0.193 0.000 1.174 784 F CA -1.039 56.855 58.000 -0.176 0.000 0.918 784 F CB 0.796 39.709 39.000 -0.145 0.000 1.364 784 F HN -0.358 nan 8.300 nan 0.000 0.475 785 T N -0.168 114.320 114.554 -0.110 0.000 2.907 785 T HA 0.398 4.747 4.350 -0.003 0.000 0.292 785 T C 0.076 174.790 174.700 0.023 0.000 1.043 785 T CA -0.505 61.434 62.100 -0.269 0.000 1.003 785 T CB 1.679 70.478 68.868 -0.115 0.000 1.084 785 T HN 0.577 nan 8.240 nan 0.000 0.483 786 F N 0.783 120.796 119.950 0.105 0.000 2.250 786 F HA -0.095 4.431 4.527 -0.002 0.000 0.301 786 F C 1.916 177.596 175.800 -0.201 0.000 1.077 786 F CA 0.819 58.907 58.000 0.146 0.000 1.348 786 F CB -0.658 38.325 39.000 -0.027 0.000 1.040 786 F HN 0.533 nan 8.300 nan 0.000 0.509 787 D N 0.656 120.901 120.400 -0.259 0.000 2.126 787 D HA -0.236 4.403 4.640 -0.003 0.000 0.190 787 D C 1.903 177.983 176.300 -0.366 0.000 1.001 787 D CA 1.792 55.443 54.000 -0.581 0.000 0.841 787 D CB -0.607 40.079 40.800 -0.190 0.000 0.949 787 D HN 0.388 nan 8.370 nan 0.000 0.446 788 E N -0.745 119.362 120.200 -0.155 0.000 2.219 788 E HA -0.216 4.133 4.350 -0.003 0.000 0.198 788 E C 1.788 178.200 176.600 -0.314 0.000 0.998 788 E CA 0.973 57.230 56.400 -0.239 0.000 0.818 788 E CB -0.232 29.280 29.700 -0.314 0.000 0.741 788 E HN 0.530 nan 8.360 nan 0.000 0.477 789 Y N -0.952 119.405 120.300 0.095 0.000 2.389 789 Y HA -0.083 4.465 4.550 -0.004 0.000 0.292 789 Y C 2.063 178.080 175.900 0.195 0.000 1.117 789 Y CA 0.795 59.007 58.100 0.187 0.000 1.195 789 Y CB -0.035 38.675 38.460 0.416 0.000 1.076 789 Y HN 0.190 nan 8.280 nan 0.000 0.548 790 Y N -3.707 116.844 120.300 0.418 0.000 2.509 790 Y HA 0.346 4.895 4.550 -0.001 0.000 0.270 790 Y C 1.889 177.890 175.900 0.168 0.000 1.103 790 Y CA 0.103 58.368 58.100 0.274 0.000 1.278 790 Y CB -0.690 37.961 38.460 0.319 0.000 1.087 790 Y HN -0.151 nan 8.280 nan 0.000 0.542 791 S N 0.000 115.772 115.700 0.120 0.000 2.433 791 S HA 0.048 4.516 4.470 -0.003 0.000 0.216 791 S C 0.240 174.880 174.600 0.066 0.000 1.031 791 S CA 0.385 58.672 58.200 0.145 0.000 0.931 791 S CB -0.220 63.014 63.200 0.057 0.000 0.875 791 S HN 0.454 nan 8.310 nan 0.000 0.553 792 D N 1.058 121.455 120.400 -0.005 0.000 2.387 792 D HA 0.380 5.018 4.640 -0.003 0.000 0.251 792 D C 0.389 176.680 176.300 -0.016 0.000 1.141 792 D CA -0.264 53.727 54.000 -0.015 0.000 0.987 792 D CB 0.024 40.795 40.800 -0.048 0.000 1.116 792 D HN 0.273 nan 8.370 nan 0.000 0.491 793 G N 0.365 109.154 108.800 -0.018 0.000 2.225 793 G HA2 -0.008 3.950 3.960 -0.003 0.000 0.245 793 G HA3 -0.008 3.950 3.960 -0.003 0.000 0.245 793 G C 0.123 174.991 174.900 -0.053 0.000 1.249 793 G CA -0.189 44.900 45.100 -0.018 0.000 0.919 793 G HN 0.249 nan 8.290 nan 0.000 0.486 794 K N 2.181 122.569 120.400 -0.020 0.000 2.543 794 K HA -0.023 4.296 4.320 -0.003 0.000 0.279 794 K C 1.391 177.931 176.600 -0.101 0.000 1.001 794 K CA 0.602 56.870 56.287 -0.032 0.000 1.088 794 K CB 0.352 32.915 32.500 0.105 0.000 0.863 794 K HN 0.523 nan 8.250 nan 0.000 0.488 795 T N 1.240 115.640 114.554 -0.258 0.000 3.227 795 T HA -0.054 4.294 4.350 -0.003 0.000 0.257 795 T C 0.488 175.157 174.700 -0.052 0.000 1.162 795 T CA 0.052 62.045 62.100 -0.180 0.000 1.051 795 T CB -0.349 68.360 68.868 -0.264 0.000 0.953 795 T HN 0.415 nan 8.240 nan 0.000 0.535 796 N N 1.245 119.970 118.700 0.043 0.000 2.483 796 N HA 0.201 4.939 4.740 -0.003 0.000 0.264 796 N C 0.581 176.057 175.510 -0.056 0.000 1.197 796 N CA 0.075 53.153 53.050 0.046 0.000 0.927 796 N CB 0.894 39.427 38.487 0.076 0.000 1.065 796 N HN 0.009 nan 8.380 nan 0.000 0.461 797 S N 1.038 116.664 115.700 -0.124 0.000 2.699 797 S HA 0.236 4.704 4.470 -0.003 0.000 0.277 797 S C -0.297 174.102 174.600 -0.335 0.000 1.062 797 S CA -0.405 57.639 58.200 -0.260 0.000 1.116 797 S CB 0.051 63.011 63.200 -0.401 0.000 0.977 797 S HN 0.447 nan 8.310 nan 0.000 0.498 798 F N 2.508 122.336 119.950 -0.203 0.000 2.538 798 F HA 0.392 4.917 4.527 -0.003 0.000 0.371 798 F C 0.383 176.099 175.800 -0.139 0.000 1.087 798 F CA -0.039 57.841 58.000 -0.200 0.000 1.250 798 F CB 0.621 39.482 39.000 -0.232 0.000 1.110 798 F HN -0.049 nan 8.300 nan 0.000 0.570 799 V N 3.422 123.365 119.914 0.048 0.000 2.815 799 V HA 0.426 4.545 4.120 -0.003 0.000 0.314 799 V C -0.463 175.636 176.094 0.008 0.000 1.064 799 V CA -0.908 61.397 62.300 0.009 0.000 0.952 799 V CB 1.889 33.701 31.823 -0.018 0.000 1.020 799 V HN 0.742 nan 8.190 nan 0.000 0.439 800 E N 3.458 123.646 120.200 -0.020 0.000 2.415 800 E HA 0.457 4.806 4.350 -0.003 0.000 0.260 800 E C 0.971 177.550 176.600 -0.034 0.000 1.016 800 E CA 1.268 57.641 56.400 -0.046 0.000 0.924 800 E CB 0.701 30.369 29.700 -0.053 0.000 0.961 800 E HN 1.281 nan 8.360 nan 0.000 0.459 801 G N 3.144 111.918 108.800 -0.043 0.000 2.253 801 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.209 801 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.209 801 G C 0.311 175.214 174.900 0.005 0.000 0.997 801 G CA -0.465 44.621 45.100 -0.022 0.000 0.640 801 G HN 0.457 nan 8.290 nan 0.000 0.496 802 M N 1.957 121.570 119.600 0.023 0.000 2.246 802 M HA 0.263 4.741 4.480 -0.003 0.000 0.350 802 M C 0.519 176.873 176.300 0.090 0.000 1.406 802 M CA 0.280 55.616 55.300 0.059 0.000 1.089 802 M CB 0.571 33.229 32.600 0.097 0.000 1.782 802 M HN -0.058 nan 8.290 nan 0.000 0.457 803 K N 4.496 124.967 120.400 0.117 0.000 2.154 803 K HA 0.721 5.040 4.320 -0.003 0.000 0.264 803 K C -0.409 176.300 176.600 0.183 0.000 1.008 803 K CA -0.270 56.145 56.287 0.214 0.000 0.937 803 K CB 1.051 33.768 32.500 0.361 0.000 1.002 803 K HN 0.727 nan 8.250 nan 0.000 0.469 804 L N -2.409 118.973 121.223 0.264 0.000 3.042 804 L HA 0.506 4.845 4.340 -0.003 0.000 0.282 804 L C -1.132 175.917 176.870 0.298 0.000 1.032 804 L CA -1.091 53.869 54.840 0.199 0.000 1.001 804 L CB 1.533 43.789 42.059 0.328 0.000 1.587 804 L HN 0.386 nan 8.230 nan 0.000 0.368 805 E N 0.072 120.395 120.200 0.205 0.000 2.238 805 E HA 0.824 5.172 4.350 -0.003 0.000 0.267 805 E C -1.208 175.491 176.600 0.166 0.000 0.887 805 E CA -0.910 55.641 56.400 0.251 0.000 0.769 805 E CB 2.338 32.205 29.700 0.278 0.000 1.187 805 E HN 0.851 nan 8.360 nan 0.000 0.416 806 A N 1.721 124.622 122.820 0.134 0.000 2.574 806 A HA 0.448 4.766 4.320 -0.003 0.000 0.297 806 A C -0.911 176.730 177.584 0.095 0.000 1.062 806 A CA -0.711 51.339 52.037 0.022 0.000 0.686 806 A CB 1.182 20.166 19.000 -0.026 0.000 1.285 806 A HN 0.357 nan 8.150 nan 0.000 0.403 807 V N 2.347 122.318 119.914 0.095 0.000 2.540 807 V HA 0.057 4.175 4.120 -0.003 0.000 0.297 807 V C 0.472 176.668 176.094 0.169 0.000 1.024 807 V CA 0.125 62.520 62.300 0.157 0.000 1.105 807 V CB 0.554 32.492 31.823 0.192 0.000 0.938 807 V HN 0.861 nan 8.190 nan 0.000 0.482 808 D N 8.525 128.992 120.400 0.112 0.000 2.363 808 D HA 0.094 4.732 4.640 -0.003 0.000 0.263 808 D C -0.993 175.311 176.300 0.007 0.000 1.258 808 D CA -1.935 52.103 54.000 0.063 0.000 0.907 808 D CB 1.541 42.380 40.800 0.066 0.000 1.107 808 D HN 0.288 nan 8.370 nan 0.000 0.495 809 P HA -0.099 nan 4.420 nan 0.000 0.225 809 P C 1.270 178.434 177.300 -0.227 0.000 1.148 809 P CA 0.686 63.538 63.100 -0.413 0.000 0.779 809 P CB 0.386 31.293 31.700 -1.323 0.000 0.780 810 L N -1.837 119.335 121.223 -0.084 0.000 2.607 810 L HA 0.233 4.571 4.340 -0.003 0.000 0.228 810 L C 0.547 177.415 176.870 -0.003 0.000 1.123 810 L CA 0.177 54.996 54.840 -0.035 0.000 0.890 810 L CB -0.228 41.830 42.059 -0.001 0.000 1.103 810 L HN -0.036 nan 8.230 nan 0.000 0.468 811 N N -0.167 118.546 118.700 0.021 0.000 2.932 811 N HA 0.084 4.822 4.740 -0.003 0.000 0.242 811 N C 0.166 175.718 175.510 0.070 0.000 1.351 811 N CA -0.210 52.859 53.050 0.030 0.000 0.785 811 N CB 0.618 39.130 38.487 0.042 0.000 1.501 811 N HN -0.190 nan 8.380 nan 0.000 0.584 812 L N 0.830 122.095 121.223 0.070 0.000 2.456 812 L HA -0.007 4.331 4.340 -0.003 0.000 0.224 812 L C 1.720 178.710 176.870 0.200 0.000 1.148 812 L CA 1.234 56.153 54.840 0.132 0.000 0.825 812 L CB -1.141 40.977 42.059 0.098 0.000 0.937 812 L HN 0.636 nan 8.230 nan 0.000 0.450 813 S N -2.737 113.044 115.700 0.135 0.000 2.593 813 S HA 0.017 4.485 4.470 -0.003 0.000 0.217 813 S C 0.931 175.713 174.600 0.304 0.000 0.966 813 S CA -0.182 58.096 58.200 0.130 0.000 0.914 813 S CB 0.015 63.233 63.200 0.030 0.000 0.776 813 S HN 0.285 nan 8.310 nan 0.000 0.523 814 S N 0.893 116.765 115.700 0.287 0.000 2.519 814 S HA 0.665 5.134 4.470 -0.003 0.000 0.309 814 S C -0.791 173.902 174.600 0.154 0.000 1.100 814 S CA -0.888 57.432 58.200 0.199 0.000 1.059 814 S CB 0.529 63.787 63.200 0.096 0.000 1.008 814 S HN 0.384 nan 8.310 nan 0.000 0.478 815 I N 4.740 125.343 120.570 0.055 0.000 2.339 815 I HA 0.438 4.606 4.170 -0.003 0.000 0.290 815 I C -0.439 175.660 176.117 -0.029 0.000 0.994 815 I CA -0.611 60.668 61.300 -0.035 0.000 1.191 815 I CB 1.239 39.099 38.000 -0.234 0.000 1.343 815 I HN 0.628 nan 8.210 nan 0.000 0.458 816 C N 6.000 125.288 119.300 -0.019 0.000 2.667 816 C HA 0.536 4.995 4.460 -0.003 0.000 0.323 816 C C -2.465 172.520 174.990 -0.008 0.000 1.214 816 C CA -1.828 57.136 59.018 -0.090 0.000 1.721 816 C CB 1.553 29.198 27.740 -0.159 0.000 2.275 816 C HN 0.422 nan 8.230 nan 0.000 0.491 817 P HA 0.295 nan 4.420 nan 0.000 0.265 817 P C -0.512 176.834 177.300 0.077 0.000 1.187 817 P CA 0.906 64.063 63.100 0.096 0.000 0.766 817 P CB 0.370 31.849 31.700 -0.367 0.000 0.820 818 A N 2.411 125.354 122.820 0.205 0.000 2.530 818 A HA 0.852 5.170 4.320 -0.003 0.000 0.288 818 A C -0.940 176.723 177.584 0.130 0.000 1.172 818 A CA -0.367 51.733 52.037 0.105 0.000 0.733 818 A CB 1.253 20.301 19.000 0.080 0.000 1.320 818 A HN 0.391 nan 8.150 nan 0.000 0.419 819 T N 0.502 115.077 114.554 0.035 0.000 2.886 819 T HA 0.480 4.828 4.350 -0.003 0.000 0.292 819 T C -0.759 173.874 174.700 -0.112 0.000 1.012 819 T CA -0.388 61.709 62.100 -0.006 0.000 0.982 819 T CB 1.448 70.306 68.868 -0.017 0.000 1.018 819 T HN 0.594 nan 8.240 nan 0.000 0.451 820 V N 5.075 124.927 119.914 -0.103 0.000 2.421 820 V HA 0.097 4.216 4.120 -0.003 0.000 0.271 820 V C 1.007 176.954 176.094 -0.244 0.000 1.031 820 V CA 0.241 62.440 62.300 -0.167 0.000 1.032 820 V CB 0.222 31.987 31.823 -0.097 0.000 1.009 820 V HN 0.897 nan 8.190 nan 0.000 0.477 821 M N 3.378 122.723 119.600 -0.425 0.000 2.615 821 M HA 0.377 4.855 4.480 -0.003 0.000 0.262 821 M C 0.626 176.639 176.300 -0.478 0.000 1.198 821 M CA 0.609 55.498 55.300 -0.684 0.000 1.165 821 M CB 0.559 32.168 32.600 -1.653 0.000 1.310 821 M HN 0.679 nan 8.290 nan 0.000 0.494 822 A N 0.713 123.350 122.820 -0.306 0.000 2.465 822 A HA 0.586 4.904 4.320 -0.003 0.000 0.292 822 A C -0.933 176.601 177.584 -0.083 0.000 1.041 822 A CA -0.566 51.405 52.037 -0.110 0.000 0.718 822 A CB 1.320 20.333 19.000 0.021 0.000 1.266 822 A HN -0.048 nan 8.150 nan 0.000 0.403 823 V N 4.501 124.377 119.914 -0.064 0.000 2.385 823 V HA 0.307 4.425 4.120 -0.003 0.000 0.269 823 V C 0.458 176.516 176.094 -0.061 0.000 1.043 823 V CA 0.069 62.332 62.300 -0.061 0.000 0.906 823 V CB 0.495 32.288 31.823 -0.050 0.000 0.995 823 V HN 0.781 nan 8.190 nan 0.000 0.467 824 L N 3.945 125.134 121.223 -0.056 0.000 2.657 824 L HA 0.537 4.876 4.340 -0.003 0.000 0.240 824 L C 0.572 177.371 176.870 -0.118 0.000 1.151 824 L CA -1.045 53.755 54.840 -0.068 0.000 0.831 824 L CB 0.606 42.647 42.059 -0.032 0.000 1.539 824 L HN 0.451 nan 8.230 nan 0.000 0.511 825 K N -0.588 119.719 120.400 -0.154 0.000 2.107 825 K HA 0.323 4.642 4.320 -0.003 0.000 0.251 825 K C -0.543 175.922 176.600 -0.225 0.000 1.012 825 K CA -0.391 55.696 56.287 -0.334 0.000 0.920 825 K CB 0.378 32.572 32.500 -0.509 0.000 1.033 825 K HN 0.412 nan 8.250 nan 0.000 0.478 826 F N 0.208 119.954 119.950 -0.340 0.000 3.057 826 F HA -0.275 4.249 4.527 -0.004 0.000 0.287 826 F C 1.057 176.055 175.800 -1.337 0.000 0.834 826 F CA 0.590 58.084 58.000 -0.844 0.000 1.147 826 F CB -1.899 37.182 39.000 0.134 0.000 1.245 826 F HN 0.975 nan 8.300 nan 0.000 0.509 827 G N -2.034 106.212 108.800 -0.923 0.000 2.195 827 G HA2 -0.354 3.605 3.960 -0.003 0.000 0.246 827 G HA3 -0.354 3.605 3.960 -0.003 0.000 0.246 827 G C 0.068 174.437 174.900 -0.884 0.000 0.984 827 G CA -0.021 44.545 45.100 -0.889 0.000 0.633 827 G HN 0.498 nan 8.290 nan 0.000 0.525 828 Y N 1.113 121.180 120.300 -0.389 0.000 2.336 828 Y HA 0.627 5.175 4.550 -0.003 0.000 0.331 828 Y C 1.132 176.940 175.900 -0.152 0.000 1.211 828 Y CA 0.425 58.429 58.100 -0.159 0.000 1.346 828 Y CB 0.790 39.278 38.460 0.048 0.000 1.271 828 Y HN 0.447 nan 8.280 nan 0.000 0.538 829 M N 1.764 121.397 119.600 0.056 0.000 2.520 829 M HA 0.575 5.054 4.480 -0.003 0.000 0.283 829 M C -1.797 174.509 176.300 0.010 0.000 1.237 829 M CA -1.095 54.190 55.300 -0.025 0.000 0.885 829 M CB 2.206 34.717 32.600 -0.148 0.000 1.727 829 M HN 0.277 nan 8.290 nan 0.000 0.468 830 M N 3.299 122.885 119.600 -0.023 0.000 2.108 830 M HA 0.489 4.967 4.480 -0.003 0.000 0.354 830 M C -0.854 175.364 176.300 -0.136 0.000 1.229 830 M CA -0.448 54.847 55.300 -0.008 0.000 1.081 830 M CB 0.518 33.167 32.600 0.082 0.000 1.606 830 M HN 0.627 nan 8.290 nan 0.000 0.467 831 I N 3.455 124.016 120.570 -0.016 0.000 2.460 831 I HA 0.469 4.637 4.170 -0.003 0.000 0.298 831 I C 0.228 176.336 176.117 -0.015 0.000 0.989 831 I CA -0.532 60.758 61.300 -0.017 0.000 1.173 831 I CB 1.632 39.751 38.000 0.197 0.000 1.338 831 I HN 0.593 nan 8.210 nan 0.000 0.456 832 R N 5.764 126.199 120.500 -0.108 0.000 2.393 832 R HA 0.443 4.781 4.340 -0.003 0.000 0.315 832 R C -1.303 174.978 176.300 -0.032 0.000 0.952 832 R CA -0.787 55.310 56.100 -0.006 0.000 0.842 832 R CB 1.166 31.416 30.300 -0.083 0.000 1.163 832 R HN 0.358 nan 8.270 nan 0.000 0.450 833 I N 4.626 125.104 120.570 -0.153 0.000 2.452 833 I HA -0.015 4.153 4.170 -0.003 0.000 0.287 833 I C 0.958 176.805 176.117 -0.451 0.000 1.079 833 I CA 0.352 61.406 61.300 -0.410 0.000 1.387 833 I CB 1.007 38.544 38.000 -0.771 0.000 1.404 833 I HN 0.525 nan 8.210 nan 0.000 0.522 834 D N 2.691 122.949 120.400 -0.235 0.000 2.363 834 D HA -0.092 4.547 4.640 -0.003 0.000 0.220 834 D C 1.954 178.153 176.300 -0.167 0.000 0.994 834 D CA 0.840 54.761 54.000 -0.131 0.000 0.890 834 D CB 0.147 40.917 40.800 -0.051 0.000 0.906 834 D HN 0.622 nan 8.370 nan 0.000 0.530 835 S N -0.843 114.700 115.700 -0.262 0.000 2.489 835 S HA -0.068 4.400 4.470 -0.003 0.000 0.228 835 S C 0.991 175.601 174.600 0.018 0.000 0.995 835 S CA -0.272 57.832 58.200 -0.159 0.000 0.934 835 S CB -0.491 62.608 63.200 -0.169 0.000 0.771 835 S HN 0.245 nan 8.310 nan 0.000 0.522 836 Y N 1.917 122.226 120.300 0.016 0.000 2.426 836 Y HA 0.182 4.730 4.550 -0.003 0.000 0.344 836 Y C 1.241 177.165 175.900 0.040 0.000 1.256 836 Y CA -1.027 57.092 58.100 0.032 0.000 1.451 836 Y CB 0.350 38.845 38.460 0.058 0.000 1.342 836 Y HN 0.167 nan 8.280 nan 0.000 0.600 837 Q N 3.761 123.687 119.800 0.210 0.000 2.361 837 Q HA 0.021 4.360 4.340 -0.003 0.000 0.276 837 Q C -2.280 173.808 176.000 0.146 0.000 1.022 837 Q CA -1.554 54.327 55.803 0.130 0.000 0.898 837 Q CB 0.678 29.462 28.738 0.077 0.000 1.246 837 Q HN 0.292 nan 8.270 nan 0.000 0.410 838 P HA 0.027 nan 4.420 nan 0.000 0.268 838 P C -0.678 176.684 177.300 0.103 0.000 1.282 838 P CA 0.500 63.676 63.100 0.127 0.000 0.880 838 P CB 0.768 32.533 31.700 0.107 0.000 0.971 839 D N 2.605 123.074 120.400 0.114 0.000 1.852 839 D HA 0.003 4.641 4.640 -0.003 0.000 0.559 839 D C 1.634 177.966 176.300 0.053 0.000 0.873 839 D CA 0.397 54.437 54.000 0.066 0.000 1.045 839 D CB -0.621 40.204 40.800 0.042 0.000 1.579 839 D HN 0.119 nan 8.370 nan 0.000 0.509 840 A N 0.625 123.514 122.820 0.115 0.000 2.285 840 A HA 0.011 4.330 4.320 -0.003 0.000 0.214 840 A C 0.873 178.416 177.584 -0.069 0.000 1.188 840 A CA 0.939 53.034 52.037 0.097 0.000 0.707 840 A CB -0.883 18.315 19.000 0.331 0.000 0.771 840 A HN 0.171 nan 8.150 nan 0.000 0.488 841 S N -0.041 115.632 115.700 -0.045 0.000 3.357 841 S HA 0.137 4.606 4.470 -0.003 0.000 0.355 841 S C 1.639 175.956 174.600 -0.472 0.000 0.712 841 S CA 0.945 59.048 58.200 -0.162 0.000 2.083 841 S CB -1.339 61.819 63.200 -0.069 0.000 1.143 841 S HN 1.757 nan 8.310 nan 0.000 0.628 842 G N 2.142 110.262 108.800 -1.134 0.000 2.900 842 G HA2 -0.414 3.544 3.960 -0.003 0.000 0.223 842 G HA3 -0.414 3.544 3.960 -0.003 0.000 0.223 842 G C 1.325 175.720 174.900 -0.843 0.000 1.293 842 G CA 0.979 45.284 45.100 -1.326 0.000 0.792 842 G HN 0.933 nan 8.290 nan 0.000 0.527 843 S N 0.694 116.124 115.700 -0.450 0.000 2.353 843 S HA -0.083 4.385 4.470 -0.003 0.000 0.222 843 S C 1.576 176.125 174.600 -0.083 0.000 1.035 843 S CA 2.367 60.441 58.200 -0.209 0.000 1.025 843 S CB -0.270 62.845 63.200 -0.142 0.000 0.902 843 S HN 0.445 nan 8.310 nan 0.000 0.440 844 D N 0.095 120.487 120.400 -0.013 0.000 2.368 844 D HA 0.218 4.857 4.640 -0.003 0.000 0.218 844 D C -0.530 176.020 176.300 0.418 0.000 1.112 844 D CA -0.263 53.826 54.000 0.148 0.000 0.834 844 D CB -0.067 40.758 40.800 0.041 0.000 0.953 844 D HN 0.411 nan 8.370 nan 0.000 0.505 845 W N 0.695 122.100 121.300 0.174 0.000 2.170 845 W HA 0.261 4.919 4.660 -0.003 0.000 0.342 845 W C 0.340 177.012 176.519 0.256 0.000 1.294 845 W CA -0.778 56.682 57.345 0.191 0.000 1.246 845 W CB -0.341 29.179 29.460 0.100 0.000 1.156 845 W HN -0.155 nan 8.180 nan 0.000 0.572 846 F N 2.437 122.556 119.950 0.282 0.000 2.551 846 F HA 0.413 4.939 4.527 -0.002 0.000 0.316 846 F C -0.638 175.216 175.800 0.090 0.000 1.089 846 F CA -1.733 56.351 58.000 0.140 0.000 0.915 846 F CB 1.166 40.176 39.000 0.017 0.000 1.186 846 F HN 0.276 nan 8.300 nan 0.000 0.456 847 C N 7.012 125.897 119.300 -0.692 0.000 2.303 847 C HA 0.530 4.989 4.460 -0.003 0.000 0.341 847 C C -0.991 173.687 174.990 -0.519 0.000 1.244 847 C CA -0.298 58.510 59.018 -0.350 0.000 1.765 847 C CB -1.723 26.023 27.740 0.010 0.000 2.379 847 C HN 0.735 nan 8.230 nan 0.000 0.530 848 Y N 4.930 125.213 120.300 -0.028 0.000 2.393 848 Y HA 0.365 4.914 4.550 -0.003 0.000 0.341 848 Y C 0.755 176.688 175.900 0.054 0.000 0.988 848 Y CA -0.635 57.502 58.100 0.062 0.000 1.078 848 Y CB 0.850 39.335 38.460 0.041 0.000 1.203 848 Y HN 0.680 nan 8.280 nan 0.000 0.453 849 H N 3.824 123.006 119.070 0.187 0.000 2.732 849 H HA -0.013 4.541 4.556 -0.003 0.000 0.351 849 H C 0.899 176.131 175.328 -0.160 0.000 1.090 849 H CA 0.569 56.529 56.048 -0.147 0.000 1.431 849 H CB 1.252 30.812 29.762 -0.336 0.000 1.447 849 H HN 0.985 nan 8.280 nan 0.000 0.582 850 E N 3.085 122.925 120.200 -0.601 0.000 2.273 850 E HA -0.223 4.125 4.350 -0.003 0.000 0.198 850 E C 1.153 177.745 176.600 -0.014 0.000 1.002 850 E CA 1.312 57.554 56.400 -0.262 0.000 0.828 850 E CB 0.091 29.712 29.700 -0.130 0.000 0.747 850 E HN 0.443 nan 8.360 nan 0.000 0.491 851 K N 1.121 121.612 120.400 0.152 0.000 2.374 851 K HA 0.097 4.415 4.320 -0.003 0.000 0.196 851 K C 0.268 176.882 176.600 0.024 0.000 1.023 851 K CA -0.031 56.311 56.287 0.091 0.000 1.103 851 K CB 0.499 33.025 32.500 0.044 0.000 0.848 851 K HN 0.025 nan 8.250 nan 0.000 0.528 852 S N 1.999 117.725 115.700 0.044 0.000 2.546 852 S HA 0.053 4.522 4.470 -0.003 0.000 0.290 852 S C -1.728 172.795 174.600 -0.128 0.000 1.290 852 S CA -1.193 57.002 58.200 -0.008 0.000 1.069 852 S CB 0.692 63.913 63.200 0.034 0.000 0.846 852 S HN 0.143 nan 8.310 nan 0.000 0.495 853 P HA 0.213 nan 4.420 nan 0.000 0.255 853 P C 0.191 177.270 177.300 -0.369 0.000 1.357 853 P CA 0.009 63.019 63.100 -0.150 0.000 0.839 853 P CB -0.568 31.130 31.700 -0.004 0.000 1.356 854 C N -0.017 118.973 119.300 -0.517 0.000 3.038 854 C HA 0.343 4.801 4.460 -0.003 0.000 0.279 854 C C 1.256 175.502 174.990 -1.239 0.000 1.276 854 C CA -0.451 58.148 59.018 -0.698 0.000 1.697 854 C CB -1.194 26.332 27.740 -0.356 0.000 2.032 854 C HN 0.264 nan 8.230 nan 0.000 0.636 855 I N -2.018 117.802 120.570 -1.250 0.000 2.530 855 I HA 0.855 5.023 4.170 -0.003 0.000 0.297 855 I C -1.066 174.389 176.117 -1.103 0.000 1.011 855 I CA -0.434 60.285 61.300 -0.968 0.000 1.107 855 I CB 1.365 39.090 38.000 -0.458 0.000 1.285 855 I HN -0.119 nan 8.210 nan 0.000 0.436 856 F N 2.908 122.593 119.950 -0.442 0.000 2.626 856 F HA 0.678 5.204 4.527 -0.002 0.000 0.311 856 F C -2.594 172.505 175.800 -1.168 0.000 1.088 856 F CA -2.630 54.788 58.000 -0.970 0.000 0.949 856 F CB 1.419 39.704 39.000 -1.191 0.000 1.322 856 F HN 0.244 nan 8.300 nan 0.000 0.461 857 P HA 0.186 nan 4.420 nan 0.000 0.270 857 P C -0.748 176.326 177.300 -0.378 0.000 1.223 857 P CA -0.322 62.300 63.100 -0.797 0.000 0.785 857 P CB 0.431 31.815 31.700 -0.527 0.000 0.923 858 A N 1.837 124.365 122.820 -0.487 0.000 2.540 858 A HA 0.403 4.721 4.320 -0.003 0.000 0.239 858 A C 1.532 178.766 177.584 -0.582 0.000 1.061 858 A CA 0.923 52.390 52.037 -0.950 0.000 0.758 858 A CB -1.514 16.396 19.000 -1.815 0.000 0.991 858 A HN 0.872 nan 8.150 nan 0.000 0.502 859 G N 0.963 109.553 108.800 -0.350 0.000 2.217 859 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.246 859 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.246 859 G C 0.865 175.766 174.900 0.002 0.000 0.990 859 G CA 0.900 45.968 45.100 -0.053 0.000 0.627 859 G HN 1.432 nan 8.290 nan 0.000 0.522 860 F N 1.587 121.442 119.950 -0.158 0.000 2.065 860 F HA -0.155 4.371 4.527 -0.002 0.000 0.298 860 F C 2.807 178.472 175.800 -0.225 0.000 1.112 860 F CA 2.898 60.769 58.000 -0.216 0.000 1.212 860 F CB -0.658 38.166 39.000 -0.293 0.000 0.975 860 F HN 0.319 nan 8.300 nan 0.000 0.476 861 C N -0.269 118.958 119.300 -0.121 0.000 2.413 861 C HA -0.196 4.262 4.460 -0.003 0.000 0.277 861 C C 3.243 178.128 174.990 -0.175 0.000 1.228 861 C CA 1.554 60.440 59.018 -0.219 0.000 1.731 861 C CB -1.417 26.296 27.740 -0.046 0.000 2.042 861 C HN 0.758 nan 8.230 nan 0.000 0.468 862 S N 0.353 116.030 115.700 -0.040 0.000 2.377 862 S HA -0.227 4.242 4.470 -0.003 0.000 0.224 862 S C 1.991 176.535 174.600 -0.095 0.000 1.042 862 S CA 2.384 60.571 58.200 -0.022 0.000 1.086 862 S CB -0.802 62.429 63.200 0.051 0.000 0.995 862 S HN 0.439 nan 8.310 nan 0.000 0.428 863 V N 2.131 121.964 119.914 -0.136 0.000 2.332 863 V HA -0.145 3.973 4.120 -0.003 0.000 0.248 863 V C 1.539 177.506 176.094 -0.212 0.000 1.055 863 V CA 2.672 64.878 62.300 -0.156 0.000 1.038 863 V CB -1.091 30.643 31.823 -0.149 0.000 0.651 863 V HN 0.704 nan 8.190 nan 0.000 0.450 864 N N 0.729 119.217 118.700 -0.354 0.000 2.370 864 N HA 0.137 4.875 4.740 -0.003 0.000 0.198 864 N C 0.386 175.753 175.510 -0.239 0.000 1.156 864 N CA 0.331 53.157 53.050 -0.375 0.000 0.839 864 N CB -0.167 37.900 38.487 -0.701 0.000 0.989 864 N HN 0.550 nan 8.380 nan 0.000 0.468 865 N N 0.350 118.950 118.700 -0.166 0.000 2.708 865 N HA -0.201 4.537 4.740 -0.003 0.000 0.249 865 N C -0.911 174.564 175.510 -0.058 0.000 1.097 865 N CA 0.610 53.608 53.050 -0.087 0.000 0.710 865 N CB -0.991 37.462 38.487 -0.057 0.000 1.032 865 N HN 0.383 nan 8.380 nan 0.000 0.551 866 I N 1.039 121.544 120.570 -0.109 0.000 2.396 866 I HA 0.077 4.246 4.170 -0.003 0.000 0.292 866 I C 0.978 177.092 176.117 -0.005 0.000 0.999 866 I CA -0.380 60.899 61.300 -0.035 0.000 1.310 866 I CB 1.472 39.338 38.000 -0.223 0.000 1.404 866 I HN 0.067 nan 8.210 nan 0.000 0.496 867 S N 6.592 122.332 115.700 0.067 0.000 2.448 867 S HA 0.317 4.786 4.470 -0.003 0.000 0.279 867 S C -0.444 174.185 174.600 0.047 0.000 1.195 867 S CA -0.675 57.558 58.200 0.056 0.000 1.051 867 S CB 1.171 64.409 63.200 0.063 0.000 0.948 867 S HN 0.441 nan 8.310 nan 0.000 0.493 868 V N 4.654 124.583 119.914 0.026 0.000 2.732 868 V HA 0.389 4.507 4.120 -0.003 0.000 0.297 868 V C 0.298 176.343 176.094 -0.081 0.000 1.060 868 V CA -0.186 62.104 62.300 -0.018 0.000 1.038 868 V CB 1.424 33.259 31.823 0.020 0.000 1.003 868 V HN 1.073 nan 8.190 nan 0.000 0.481 869 T N 9.273 123.756 114.554 -0.119 0.000 2.729 869 T HA 0.342 4.691 4.350 -0.003 0.000 0.296 869 T C -2.458 172.022 174.700 -0.366 0.000 0.928 869 T CA -0.651 61.350 62.100 -0.165 0.000 1.045 869 T CB 0.944 69.751 68.868 -0.103 0.000 0.902 869 T HN 0.688 nan 8.240 nan 0.000 0.500 870 P HA 0.306 nan 4.420 nan 0.000 0.274 870 P C -2.773 174.106 177.300 -0.701 0.000 1.246 870 P CA -1.875 60.727 63.100 -0.830 0.000 0.795 870 P CB -0.334 31.068 31.700 -0.498 0.000 1.006 871 P HA 0.073 nan 4.420 nan 0.000 0.272 871 P C 0.188 177.370 177.300 -0.196 0.000 1.230 871 P CA -0.142 62.567 63.100 -0.653 0.000 0.788 871 P CB 0.090 31.090 31.700 -1.167 0.000 0.949 872 N N 1.129 119.796 118.700 -0.056 0.000 2.359 872 N HA -0.012 4.726 4.740 -0.003 0.000 0.261 872 N C 1.140 176.745 175.510 0.158 0.000 1.267 872 N CA 1.267 54.350 53.050 0.057 0.000 0.864 872 N CB -0.259 38.273 38.487 0.075 0.000 1.063 872 N HN 0.747 nan 8.380 nan 0.000 0.474 873 G N 2.003 110.854 108.800 0.084 0.000 2.176 873 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.253 873 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.253 873 G C -0.444 174.404 174.900 -0.087 0.000 0.979 873 G CA 0.229 45.334 45.100 0.008 0.000 0.641 873 G HN 0.617 nan 8.290 nan 0.000 0.530 874 Y N 0.173 120.428 120.300 -0.075 0.000 2.565 874 Y HA 0.723 5.271 4.550 -0.003 0.000 0.325 874 Y C 0.289 176.151 175.900 -0.062 0.000 1.221 874 Y CA -0.903 57.157 58.100 -0.066 0.000 1.316 874 Y CB 1.158 39.538 38.460 -0.133 0.000 1.404 874 Y HN 0.033 nan 8.280 nan 0.000 0.527 875 D N -1.150 119.351 120.400 0.168 0.000 2.787 875 D HA 0.205 4.844 4.640 -0.003 0.000 0.246 875 D C 0.210 176.576 176.300 0.111 0.000 1.150 875 D CA -0.114 53.939 54.000 0.088 0.000 0.864 875 D CB 2.032 42.868 40.800 0.060 0.000 1.481 875 D HN 0.589 nan 8.370 nan 0.000 0.509 876 S N 3.430 119.165 115.700 0.058 0.000 2.370 876 S HA -0.196 4.273 4.470 -0.003 0.000 0.226 876 S C 1.665 176.317 174.600 0.087 0.000 1.033 876 S CA 0.788 59.026 58.200 0.064 0.000 1.011 876 S CB -0.086 63.130 63.200 0.025 0.000 0.852 876 S HN 0.537 nan 8.310 nan 0.000 0.457 877 R N 0.677 121.215 120.500 0.063 0.000 2.120 877 R HA 0.028 4.366 4.340 -0.003 0.000 0.234 877 R C 2.145 178.480 176.300 0.059 0.000 1.123 877 R CA 1.592 57.723 56.100 0.051 0.000 0.975 877 R CB -0.626 29.695 30.300 0.035 0.000 0.866 877 R HN 0.365 nan 8.270 nan 0.000 0.446 878 T N 0.213 114.817 114.554 0.083 0.000 3.039 878 T HA 0.053 4.402 4.350 -0.003 0.000 0.250 878 T C 0.078 174.835 174.700 0.095 0.000 1.052 878 T CA -0.245 61.902 62.100 0.079 0.000 1.125 878 T CB 0.000 68.915 68.868 0.077 0.000 0.908 878 T HN 0.060 nan 8.240 nan 0.000 0.473 879 F N 3.256 123.213 119.950 0.012 0.000 2.608 879 F HA 0.374 4.899 4.527 -0.003 0.000 0.380 879 F C 0.293 176.059 175.800 -0.056 0.000 1.083 879 F CA 0.176 58.159 58.000 -0.028 0.000 1.266 879 F CB 0.470 39.385 39.000 -0.141 0.000 1.076 879 F HN -0.141 nan 8.300 nan 0.000 0.574 880 T N 5.745 119.593 114.554 -1.177 0.000 2.971 880 T HA 0.167 4.515 4.350 -0.003 0.000 0.304 880 T C 0.263 174.339 174.700 -1.040 0.000 1.038 880 T CA -0.599 60.961 62.100 -0.901 0.000 1.007 880 T CB 0.340 69.027 68.868 -0.302 0.000 1.055 880 T HN 0.786 nan 8.240 nan 0.000 0.451 881 W N 2.162 123.028 121.300 -0.724 0.000 2.338 881 W HA -0.024 4.634 4.660 -0.003 0.000 0.304 881 W C 2.021 178.490 176.519 -0.084 0.000 1.212 881 W CA 1.118 58.318 57.345 -0.241 0.000 1.264 881 W CB 0.201 29.630 29.460 -0.052 0.000 1.142 881 W HN 0.753 nan 8.180 nan 0.000 0.512 882 E N -0.850 119.426 120.200 0.126 0.000 2.204 882 E HA -0.076 4.272 4.350 -0.003 0.000 0.194 882 E C 2.354 178.998 176.600 0.074 0.000 0.989 882 E CA 1.418 57.878 56.400 0.100 0.000 0.824 882 E CB -0.922 28.810 29.700 0.054 0.000 0.756 882 E HN 0.259 nan 8.360 nan 0.000 0.477 883 G N -0.419 108.400 108.800 0.031 0.000 2.394 883 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.215 883 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.215 883 G C 1.447 176.451 174.900 0.173 0.000 1.165 883 G CA 0.537 45.683 45.100 0.078 0.000 0.784 883 G HN 0.267 nan 8.290 nan 0.000 0.535 884 Y N 1.371 121.657 120.300 -0.023 0.000 2.181 884 Y HA 0.022 4.570 4.550 -0.003 0.000 0.288 884 Y C 2.523 178.468 175.900 0.074 0.000 1.146 884 Y CA 1.019 59.106 58.100 -0.022 0.000 1.164 884 Y CB -0.383 37.955 38.460 -0.204 0.000 0.982 884 Y HN 0.107 nan 8.280 nan 0.000 0.515 885 L N -0.417 120.847 121.223 0.069 0.000 2.093 885 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 885 L C 2.713 179.583 176.870 0.001 0.000 1.085 885 L CA 1.600 56.443 54.840 0.005 0.000 0.755 885 L CB -0.869 41.267 42.059 0.128 0.000 0.904 885 L HN 0.316 nan 8.230 nan 0.000 0.435 886 S N -1.138 114.589 115.700 0.046 0.000 2.428 886 S HA -0.148 4.321 4.470 -0.003 0.000 0.230 886 S C 1.524 176.151 174.600 0.045 0.000 1.014 886 S CA 1.017 59.243 58.200 0.042 0.000 0.957 886 S CB -0.259 62.971 63.200 0.049 0.000 0.784 886 S HN 0.335 nan 8.310 nan 0.000 0.499 887 D N 2.339 122.783 120.400 0.074 0.000 2.084 887 D HA -0.044 4.594 4.640 -0.003 0.000 0.196 887 D C 2.255 178.583 176.300 0.046 0.000 0.985 887 D CA 2.144 56.205 54.000 0.102 0.000 0.826 887 D CB -0.874 40.071 40.800 0.240 0.000 0.978 887 D HN 0.734 nan 8.370 nan 0.000 0.456 888 T N -2.876 111.655 114.554 -0.039 0.000 3.113 888 T HA 0.262 4.610 4.350 -0.003 0.000 0.256 888 T C 1.704 176.374 174.700 -0.051 0.000 1.131 888 T CA 0.674 62.727 62.100 -0.080 0.000 1.074 888 T CB 0.083 68.794 68.868 -0.261 0.000 0.944 888 T HN 0.232 nan 8.240 nan 0.000 0.516 889 G N 1.438 110.219 108.800 -0.031 0.000 2.212 889 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.267 889 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.267 889 G C 0.323 175.211 174.900 -0.020 0.000 1.002 889 G CA 0.194 45.286 45.100 -0.013 0.000 0.729 889 G HN 1.152 nan 8.290 nan 0.000 0.517 890 A N -1.480 121.314 122.820 -0.044 0.000 2.246 890 A HA 0.865 5.183 4.320 -0.003 0.000 0.291 890 A C 0.323 177.905 177.584 -0.003 0.000 1.103 890 A CA 0.203 52.221 52.037 -0.031 0.000 0.844 890 A CB 1.758 20.720 19.000 -0.062 0.000 1.136 890 A HN 1.425 nan 8.150 nan 0.000 0.500 891 V N -0.476 119.445 119.914 0.011 0.000 2.715 891 V HA 0.695 4.814 4.120 -0.003 0.000 0.310 891 V C 0.185 176.295 176.094 0.026 0.000 1.054 891 V CA -0.063 62.247 62.300 0.016 0.000 0.928 891 V CB 1.656 33.483 31.823 0.006 0.000 1.007 891 V HN 1.391 nan 8.190 nan 0.000 0.437 892 A N 4.900 127.722 122.820 0.004 0.000 2.305 892 A HA 0.870 5.188 4.320 -0.003 0.000 0.322 892 A C 0.291 177.862 177.584 -0.021 0.000 1.187 892 A CA -0.023 51.993 52.037 -0.036 0.000 0.825 892 A CB 1.054 19.957 19.000 -0.163 0.000 1.164 892 A HN 1.748 nan 8.150 nan 0.000 0.498 893 A N 1.969 124.807 122.820 0.030 0.000 2.520 893 A HA 0.494 4.813 4.320 -0.003 0.000 0.245 893 A C 0.952 178.542 177.584 0.010 0.000 1.072 893 A CA 0.458 52.496 52.037 0.003 0.000 0.761 893 A CB -0.288 18.773 19.000 0.102 0.000 1.004 893 A HN 1.679 nan 8.150 nan 0.000 0.499 894 G N 0.933 109.640 108.800 -0.155 0.000 2.483 894 G HA2 0.340 4.299 3.960 -0.003 0.000 0.248 894 G HA3 0.340 4.299 3.960 -0.003 0.000 0.248 894 G C 0.739 175.588 174.900 -0.085 0.000 1.248 894 G CA -0.329 44.703 45.100 -0.114 0.000 0.838 894 G HN 0.809 nan 8.290 nan 0.000 0.566 895 Q N 0.830 120.680 119.800 0.084 0.000 2.197 895 Q HA -0.298 4.041 4.340 -0.003 0.000 0.211 895 Q C 2.047 178.140 176.000 0.156 0.000 0.993 895 Q CA 2.334 58.221 55.803 0.140 0.000 0.883 895 Q CB -0.496 28.296 28.738 0.091 0.000 0.916 895 Q HN 1.033 nan 8.270 nan 0.000 0.418 896 H N -0.661 118.437 119.070 0.047 0.000 2.518 896 H HA 0.033 4.588 4.556 -0.003 0.000 0.289 896 H C 1.837 177.118 175.328 -0.078 0.000 1.051 896 H CA 0.674 56.714 56.048 -0.013 0.000 1.280 896 H CB -0.386 29.346 29.762 -0.049 0.000 1.380 896 H HN 0.134 nan 8.280 nan 0.000 0.566 897 L N -0.477 120.439 121.223 -0.512 0.000 2.395 897 L HA 0.108 4.446 4.340 -0.003 0.000 0.218 897 L C -0.024 176.497 176.870 -0.583 0.000 1.130 897 L CA 0.010 54.408 54.840 -0.736 0.000 0.826 897 L CB -0.124 41.132 42.059 -1.338 0.000 0.941 897 L HN 0.158 nan 8.230 nan 0.000 0.451 898 F N -1.509 118.352 119.950 -0.148 0.000 2.399 898 F HA 0.269 4.795 4.527 -0.002 0.000 0.328 898 F C 0.709 176.530 175.800 0.034 0.000 1.084 898 F CA -0.812 57.189 58.000 0.002 0.000 1.053 898 F CB 0.514 39.507 39.000 -0.012 0.000 1.209 898 F HN -0.156 nan 8.300 nan 0.000 0.502 899 H N 1.568 120.735 119.070 0.162 0.000 2.800 899 H HA 0.154 4.708 4.556 -0.003 0.000 0.291 899 H C -0.890 174.495 175.328 0.094 0.000 1.076 899 H CA 0.061 56.165 56.048 0.093 0.000 1.452 899 H CB 0.396 30.199 29.762 0.069 0.000 1.461 899 H HN 0.399 nan 8.280 nan 0.000 0.488 900 D N 6.453 126.675 120.400 -0.297 0.000 2.607 900 D HA 0.146 4.784 4.640 -0.003 0.000 0.318 900 D C -0.925 175.236 176.300 -0.232 0.000 1.212 900 D CA -0.363 53.541 54.000 -0.160 0.000 0.861 900 D CB -0.285 40.491 40.800 -0.040 0.000 1.064 900 D HN 0.382 nan 8.370 nan 0.000 0.500 901 I N 2.561 122.946 120.570 -0.308 0.000 2.378 901 I HA 0.337 4.506 4.170 -0.003 0.000 0.291 901 I C 0.027 176.142 176.117 -0.003 0.000 0.992 901 I CA -0.800 60.413 61.300 -0.145 0.000 1.154 901 I CB 1.817 39.743 38.000 -0.122 0.000 1.315 901 I HN 0.091 nan 8.210 nan 0.000 0.448 902 I N 7.875 128.454 120.570 0.014 0.000 2.310 902 I HA 0.264 4.433 4.170 -0.003 0.000 0.287 902 I C -1.779 174.356 176.117 0.030 0.000 1.073 902 I CA -1.991 59.339 61.300 0.050 0.000 1.216 902 I CB 0.153 38.175 38.000 0.036 0.000 1.415 902 I HN 0.242 nan 8.210 nan 0.000 0.480 903 P HA 0.045 nan 4.420 nan 0.000 0.270 903 P C -0.056 177.208 177.300 -0.059 0.000 1.223 903 P CA -0.198 62.930 63.100 0.046 0.000 0.785 903 P CB 1.324 33.091 31.700 0.113 0.000 0.923 904 D N 0.516 120.871 120.400 -0.076 0.000 2.713 904 D HA -0.002 4.637 4.640 -0.003 0.000 0.229 904 D C 1.198 177.406 176.300 -0.153 0.000 1.136 904 D CA -0.018 53.887 54.000 -0.159 0.000 1.010 904 D CB -0.145 40.601 40.800 -0.091 0.000 1.084 904 D HN 0.403 nan 8.370 nan 0.000 0.495 905 H N 0.072 119.133 119.070 -0.014 0.000 2.428 905 H HA 0.114 4.668 4.556 -0.003 0.000 0.296 905 H C 1.650 176.833 175.328 -0.242 0.000 1.062 905 H CA 1.058 57.072 56.048 -0.057 0.000 1.350 905 H CB -0.139 29.698 29.762 0.125 0.000 1.403 905 H HN 0.317 nan 8.280 nan 0.000 0.533 906 G N -0.624 108.163 108.800 -0.021 0.000 2.205 906 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.261 906 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.261 906 G C 0.082 174.945 174.900 -0.062 0.000 0.980 906 G CA 0.144 45.185 45.100 -0.097 0.000 0.632 906 G HN 0.411 nan 8.290 nan 0.000 0.533 907 F N 2.194 122.267 119.950 0.206 0.000 2.518 907 F HA 0.495 5.020 4.527 -0.003 0.000 0.359 907 F C 1.117 176.949 175.800 0.053 0.000 1.118 907 F CA 0.792 58.792 58.000 0.000 0.000 1.287 907 F CB 0.625 39.501 39.000 -0.206 0.000 1.132 907 F HN 0.442 nan 8.300 nan 0.000 0.587 908 E N 0.040 120.359 120.200 0.198 0.000 2.413 908 E HA 0.483 4.832 4.350 -0.003 0.000 0.277 908 E C -1.604 175.034 176.600 0.063 0.000 0.958 908 E CA -1.228 55.240 56.400 0.113 0.000 0.779 908 E CB 1.647 31.388 29.700 0.069 0.000 1.278 908 E HN 0.203 nan 8.360 nan 0.000 0.456 909 V N 1.621 121.556 119.914 0.035 0.000 2.644 909 V HA 0.226 4.344 4.120 -0.003 0.000 0.305 909 V C 1.447 177.540 176.094 -0.000 0.000 1.053 909 V CA 2.062 64.365 62.300 0.006 0.000 1.186 909 V CB 0.150 31.973 31.823 -0.000 0.000 0.895 909 V HN 1.097 nan 8.190 nan 0.000 0.490 910 G N 3.940 112.734 108.800 -0.010 0.000 2.213 910 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.236 910 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.236 910 G C 0.176 175.053 174.900 -0.038 0.000 0.991 910 G CA 0.040 45.132 45.100 -0.014 0.000 0.629 910 G HN 0.549 nan 8.290 nan 0.000 0.517 911 M N 2.119 121.702 119.600 -0.028 0.000 2.219 911 M HA 0.386 4.864 4.480 -0.003 0.000 0.353 911 M C 0.499 176.763 176.300 -0.061 0.000 1.304 911 M CA 0.313 55.579 55.300 -0.057 0.000 1.115 911 M CB 0.918 33.535 32.600 0.029 0.000 1.664 911 M HN 0.147 nan 8.290 nan 0.000 0.459 912 S N 5.067 120.647 115.700 -0.200 0.000 2.565 912 S HA 0.756 5.225 4.470 -0.003 0.000 0.274 912 S C -0.386 174.169 174.600 -0.075 0.000 1.309 912 S CA -0.830 57.282 58.200 -0.147 0.000 1.043 912 S CB 0.642 63.599 63.200 -0.404 0.000 0.939 912 S HN 0.628 nan 8.310 nan 0.000 0.504 913 L N 0.025 121.309 121.223 0.102 0.000 2.892 913 L HA 0.686 5.024 4.340 -0.003 0.000 0.269 913 L C -1.553 175.513 176.870 0.326 0.000 1.058 913 L CA -1.080 53.860 54.840 0.167 0.000 0.923 913 L CB 1.741 43.993 42.059 0.321 0.000 1.518 913 L HN 0.405 nan 8.230 nan 0.000 0.402 914 E N 0.550 120.933 120.200 0.306 0.000 2.179 914 E HA 0.559 4.908 4.350 -0.003 0.000 0.275 914 E C -1.497 175.286 176.600 0.306 0.000 0.945 914 E CA -0.631 56.007 56.400 0.396 0.000 0.792 914 E CB 2.437 32.413 29.700 0.459 0.000 1.125 914 E HN 0.619 nan 8.360 nan 0.000 0.397 915 C N 2.840 122.327 119.300 0.312 0.000 2.481 915 C HA 0.653 5.112 4.460 -0.003 0.000 0.324 915 C C -0.014 175.193 174.990 0.362 0.000 1.170 915 C CA -0.390 58.782 59.018 0.258 0.000 1.361 915 C CB -0.092 27.683 27.740 0.058 0.000 1.977 915 C HN 0.895 nan 8.230 nan 0.000 0.459 916 A N 4.007 126.996 122.820 0.281 0.000 2.498 916 A HA 0.382 4.700 4.320 -0.003 0.000 0.239 916 A C 0.099 177.832 177.584 0.248 0.000 1.068 916 A CA 0.366 52.539 52.037 0.227 0.000 0.766 916 A CB 0.153 19.278 19.000 0.209 0.000 1.003 916 A HN 0.891 nan 8.150 nan 0.000 0.497 917 D N 2.325 122.789 120.400 0.107 0.000 2.411 917 D HA 0.293 4.931 4.640 -0.003 0.000 0.225 917 D C 0.659 176.977 176.300 0.030 0.000 1.156 917 D CA -0.273 53.723 54.000 -0.007 0.000 0.874 917 D CB 0.434 41.052 40.800 -0.304 0.000 1.034 917 D HN 0.333 nan 8.370 nan 0.000 0.502 918 L N 3.515 124.780 121.223 0.071 0.000 2.353 918 L HA -0.031 4.308 4.340 -0.003 0.000 0.220 918 L C 2.308 179.167 176.870 -0.018 0.000 1.133 918 L CA 0.862 55.717 54.840 0.025 0.000 0.798 918 L CB -0.285 41.786 42.059 0.021 0.000 0.922 918 L HN 0.549 nan 8.230 nan 0.000 0.445 919 M N -1.341 118.245 119.600 -0.023 0.000 2.447 919 M HA -0.025 4.454 4.480 -0.003 0.000 0.264 919 M C -0.267 176.020 176.300 -0.022 0.000 1.095 919 M CA 1.103 56.379 55.300 -0.040 0.000 1.125 919 M CB 0.442 33.007 32.600 -0.058 0.000 1.389 919 M HN 0.062 nan 8.290 nan 0.000 0.459 920 D N 0.097 120.489 120.400 -0.013 0.000 2.527 920 D HA 0.236 4.875 4.640 -0.003 0.000 0.242 920 D C -2.459 173.883 176.300 0.070 0.000 1.285 920 D CA -1.430 52.587 54.000 0.029 0.000 0.886 920 D CB 1.050 41.840 40.800 -0.018 0.000 1.402 920 D HN 0.035 nan 8.370 nan 0.000 0.528 921 P HA 0.049 nan 4.420 nan 0.000 0.253 921 P C 0.986 178.411 177.300 0.210 0.000 1.281 921 P CA 0.069 63.286 63.100 0.194 0.000 0.792 921 P CB -0.146 31.708 31.700 0.257 0.000 1.193 922 R N -1.268 119.333 120.500 0.168 0.000 2.276 922 R HA 0.111 4.450 4.340 -0.003 0.000 0.196 922 R C 0.102 176.390 176.300 -0.020 0.000 0.961 922 R CA 0.022 56.081 56.100 -0.069 0.000 1.024 922 R CB -0.483 29.855 30.300 0.063 0.000 0.940 922 R HN 0.076 nan 8.270 nan 0.000 0.480 923 L N 2.291 123.534 121.223 0.034 0.000 2.290 923 L HA 0.281 4.619 4.340 -0.003 0.000 0.284 923 L C -0.420 176.495 176.870 0.075 0.000 1.078 923 L CA -0.706 54.159 54.840 0.041 0.000 0.815 923 L CB 1.808 43.825 42.059 -0.070 0.000 1.162 923 L HN -0.141 nan 8.230 nan 0.000 0.435 924 V N 3.118 123.118 119.914 0.143 0.000 2.495 924 V HA 0.581 4.699 4.120 -0.003 0.000 0.298 924 V C -0.328 175.852 176.094 0.143 0.000 1.031 924 V CA -0.544 61.819 62.300 0.104 0.000 0.871 924 V CB 1.714 33.509 31.823 -0.047 0.000 0.988 924 V HN 0.888 nan 8.190 nan 0.000 0.432 925 C N 3.245 122.670 119.300 0.207 0.000 2.779 925 C HA 0.630 5.088 4.460 -0.003 0.000 0.314 925 C C 0.203 175.349 174.990 0.260 0.000 1.231 925 C CA -1.091 58.037 59.018 0.183 0.000 1.652 925 C CB 1.642 29.443 27.740 0.102 0.000 2.198 925 C HN 0.589 nan 8.230 nan 0.000 0.483 926 V N 2.291 122.246 119.914 0.069 0.000 2.540 926 V HA 0.419 4.537 4.120 -0.003 0.000 0.297 926 V C 0.629 176.871 176.094 0.248 0.000 1.024 926 V CA 0.987 63.319 62.300 0.053 0.000 1.105 926 V CB 0.158 31.718 31.823 -0.437 0.000 0.938 926 V HN 1.150 nan 8.190 nan 0.000 0.482 927 A N 4.482 127.476 122.820 0.291 0.000 2.587 927 A HA 0.879 5.197 4.320 -0.003 0.000 0.293 927 A C -0.436 177.217 177.584 0.115 0.000 1.087 927 A CA -0.623 51.467 52.037 0.088 0.000 0.692 927 A CB 2.161 21.064 19.000 -0.162 0.000 1.291 927 A HN 0.653 nan 8.150 nan 0.000 0.407 928 T N 0.572 115.145 114.554 0.032 0.000 2.876 928 T HA 0.494 4.843 4.350 -0.003 0.000 0.289 928 T C -0.501 174.173 174.700 -0.043 0.000 1.014 928 T CA -0.481 61.643 62.100 0.040 0.000 0.986 928 T CB 1.567 70.492 68.868 0.094 0.000 1.021 928 T HN 0.640 nan 8.240 nan 0.000 0.458 929 V N 3.094 122.975 119.914 -0.054 0.000 2.390 929 V HA 0.240 4.359 4.120 -0.003 0.000 0.260 929 V C 1.376 177.420 176.094 -0.083 0.000 1.043 929 V CA 0.132 62.368 62.300 -0.106 0.000 1.047 929 V CB -0.261 31.514 31.823 -0.080 0.000 1.066 929 V HN 1.163 nan 8.190 nan 0.000 0.481 930 A N 5.805 128.554 122.820 -0.119 0.000 1.975 930 A HA 0.187 4.505 4.320 -0.003 0.000 0.215 930 A C 1.113 178.632 177.584 -0.109 0.000 1.170 930 A CA 0.786 52.752 52.037 -0.117 0.000 0.656 930 A CB 0.206 19.112 19.000 -0.156 0.000 0.821 930 A HN 0.612 nan 8.150 nan 0.000 0.449 931 R N -1.539 118.888 120.500 -0.121 0.000 2.604 931 R HA 0.455 4.793 4.340 -0.003 0.000 0.270 931 R C -2.078 174.214 176.300 -0.013 0.000 1.052 931 R CA -0.354 55.715 56.100 -0.051 0.000 0.902 931 R CB 1.866 32.146 30.300 -0.033 0.000 1.233 931 R HN 0.135 nan 8.270 nan 0.000 0.455 932 V N 3.395 123.332 119.914 0.038 0.000 2.380 932 V HA 0.368 4.487 4.120 -0.003 0.000 0.286 932 V C -1.059 175.101 176.094 0.109 0.000 1.015 932 V CA -0.438 61.903 62.300 0.068 0.000 0.834 932 V CB 1.640 33.514 31.823 0.086 0.000 1.009 932 V HN 0.457 nan 8.190 nan 0.000 0.428 933 V N 8.471 128.471 119.914 0.144 0.000 2.217 933 V HA 0.667 4.786 4.120 -0.003 0.000 0.264 933 V C 1.406 177.589 176.094 0.148 0.000 1.107 933 V CA 0.733 63.096 62.300 0.104 0.000 0.913 933 V CB -0.289 31.564 31.823 0.051 0.000 1.153 933 V HN 1.369 nan 8.190 nan 0.000 0.469 934 G N 4.283 113.173 108.800 0.149 0.000 3.181 934 G HA2 -0.388 3.570 3.960 -0.003 0.000 0.322 934 G HA3 -0.388 3.570 3.960 -0.003 0.000 0.322 934 G C 1.223 176.301 174.900 0.297 0.000 1.246 934 G CA 0.998 46.207 45.100 0.182 0.000 0.989 934 G HN 0.551 nan 8.290 nan 0.000 0.607 935 R N -0.072 120.586 120.500 0.263 0.000 2.265 935 R HA 0.401 4.739 4.340 -0.003 0.000 0.194 935 R C 0.616 177.014 176.300 0.164 0.000 0.931 935 R CA 0.119 56.379 56.100 0.267 0.000 1.032 935 R CB -0.073 30.356 30.300 0.216 0.000 0.980 935 R HN 0.417 nan 8.270 nan 0.000 0.497 936 L N 1.553 122.890 121.223 0.189 0.000 2.322 936 L HA 0.447 4.786 4.340 -0.003 0.000 0.279 936 L C -1.188 175.776 176.870 0.157 0.000 1.036 936 L CA -0.400 54.560 54.840 0.200 0.000 0.807 936 L CB 1.548 43.779 42.059 0.288 0.000 1.226 936 L HN -0.102 nan 8.230 nan 0.000 0.433 937 L N 4.276 125.566 121.223 0.112 0.000 2.346 937 L HA 0.548 4.887 4.340 -0.003 0.000 0.276 937 L C -0.401 176.475 176.870 0.010 0.000 1.006 937 L CA -0.802 54.025 54.840 -0.023 0.000 0.817 937 L CB 1.666 43.540 42.059 -0.308 0.000 1.272 937 L HN 0.552 nan 8.230 nan 0.000 0.421 938 K N 2.818 123.074 120.400 -0.239 0.000 2.263 938 K HA 0.481 4.799 4.320 -0.003 0.000 0.272 938 K C -1.088 175.266 176.600 -0.409 0.000 1.033 938 K CA -0.423 55.467 56.287 -0.661 0.000 0.884 938 K CB 1.789 33.647 32.500 -1.070 0.000 1.107 938 K HN 0.455 nan 8.250 nan 0.000 0.460 939 V N 4.972 124.652 119.914 -0.389 0.000 2.435 939 V HA 0.354 4.473 4.120 -0.003 0.000 0.290 939 V C -1.085 174.794 176.094 -0.359 0.000 1.030 939 V CA -0.496 61.595 62.300 -0.348 0.000 0.881 939 V CB 1.346 32.941 31.823 -0.379 0.000 0.983 939 V HN 0.897 nan 8.190 nan 0.000 0.445 940 H N 5.959 124.816 119.070 -0.356 0.000 2.469 940 H HA 0.422 4.976 4.556 -0.003 0.000 0.342 940 H C -1.498 173.693 175.328 -0.228 0.000 1.115 940 H CA -0.726 55.174 56.048 -0.246 0.000 1.204 940 H CB 1.532 31.227 29.762 -0.113 0.000 1.492 940 H HN 0.696 nan 8.280 nan 0.000 0.499 941 F N 3.470 123.115 119.950 -0.508 0.000 2.404 941 F HA 0.045 4.570 4.527 -0.003 0.000 0.359 941 F C 0.485 176.103 175.800 -0.303 0.000 1.134 941 F CA -0.621 57.224 58.000 -0.258 0.000 1.160 941 F CB 0.280 39.204 39.000 -0.126 0.000 1.186 941 F HN 0.530 nan 8.300 nan 0.000 0.526 942 D N 2.802 123.237 120.400 0.060 0.000 2.662 942 D HA 0.230 4.868 4.640 -0.003 0.000 0.237 942 D C 1.098 177.399 176.300 0.002 0.000 1.154 942 D CA 1.728 55.782 54.000 0.089 0.000 0.861 942 D CB 0.374 41.225 40.800 0.085 0.000 1.146 942 D HN 0.860 nan 8.370 nan 0.000 0.518 943 G N 1.082 109.898 108.800 0.026 0.000 2.159 943 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.256 943 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.256 943 G C -0.113 174.595 174.900 -0.321 0.000 0.977 943 G CA -0.291 44.721 45.100 -0.148 0.000 0.652 943 G HN 0.465 nan 8.290 nan 0.000 0.531 944 W N 0.616 121.861 121.300 -0.092 0.000 2.578 944 W HA 0.643 5.302 4.660 -0.003 0.000 0.364 944 W C 1.326 177.896 176.519 0.085 0.000 1.144 944 W CA -0.131 57.137 57.345 -0.128 0.000 1.242 944 W CB 0.575 29.848 29.460 -0.312 0.000 1.382 944 W HN 0.331 nan 8.180 nan 0.000 0.625 945 T N -2.079 112.748 114.554 0.455 0.000 2.698 945 T HA 0.028 4.377 4.350 -0.003 0.000 0.295 945 T C 0.514 175.493 174.700 0.466 0.000 1.007 945 T CA -0.105 62.245 62.100 0.417 0.000 0.980 945 T CB 0.536 69.621 68.868 0.361 0.000 1.036 945 T HN 0.340 nan 8.240 nan 0.000 0.526 946 D N -0.068 120.526 120.400 0.324 0.000 2.317 946 D HA -0.049 4.590 4.640 -0.003 0.000 0.211 946 D C 2.110 178.524 176.300 0.190 0.000 0.966 946 D CA 0.798 54.955 54.000 0.261 0.000 0.876 946 D CB -0.156 40.715 40.800 0.118 0.000 0.927 946 D HN 0.897 nan 8.370 nan 0.000 0.519 947 E N -0.255 120.044 120.200 0.165 0.000 2.409 947 E HA -0.189 4.160 4.350 -0.003 0.000 0.198 947 E C 0.875 177.416 176.600 -0.098 0.000 1.024 947 E CA 0.670 57.075 56.400 0.009 0.000 0.861 947 E CB -0.371 29.292 29.700 -0.061 0.000 0.788 947 E HN 0.370 nan 8.360 nan 0.000 0.521 948 Y N 1.718 122.060 120.300 0.071 0.000 2.490 948 Y HA 0.117 4.665 4.550 -0.003 0.000 0.281 948 Y C 0.417 176.399 175.900 0.136 0.000 1.174 948 Y CA -0.235 57.893 58.100 0.047 0.000 1.295 948 Y CB 0.135 38.566 38.460 -0.049 0.000 1.062 948 Y HN -0.069 nan 8.280 nan 0.000 0.522 949 D N 1.193 121.700 120.400 0.178 0.000 2.400 949 D HA 0.032 4.670 4.640 -0.003 0.000 0.238 949 D C -0.158 176.101 176.300 -0.068 0.000 1.157 949 D CA 0.577 54.581 54.000 0.006 0.000 0.889 949 D CB 0.511 41.258 40.800 -0.088 0.000 1.199 949 D HN 0.278 nan 8.370 nan 0.000 0.436 950 Q N 0.648 120.334 119.800 -0.191 0.000 2.321 950 Q HA 0.267 4.605 4.340 -0.003 0.000 0.270 950 Q C -0.891 174.986 176.000 -0.204 0.000 1.032 950 Q CA -0.709 55.020 55.803 -0.123 0.000 0.784 950 Q CB 1.674 30.389 28.738 -0.039 0.000 1.264 950 Q HN 0.410 nan 8.270 nan 0.000 0.448 951 W N 3.471 124.768 121.300 -0.005 0.000 2.419 951 W HA 0.294 4.952 4.660 -0.003 0.000 0.312 951 W C -0.696 175.821 176.519 -0.005 0.000 1.323 951 W CA -0.280 57.066 57.345 0.001 0.000 1.293 951 W CB 0.457 29.948 29.460 0.051 0.000 1.324 951 W HN 0.276 nan 8.180 nan 0.000 0.512 952 L N 3.123 124.447 121.223 0.167 0.000 2.370 952 L HA 0.293 4.631 4.340 -0.003 0.000 0.266 952 L C -0.176 176.714 176.870 0.033 0.000 1.002 952 L CA -1.280 53.593 54.840 0.055 0.000 0.818 952 L CB 1.588 43.603 42.059 -0.073 0.000 1.325 952 L HN 0.273 nan 8.230 nan 0.000 0.418 953 D N -0.070 120.339 120.400 0.015 0.000 2.399 953 D HA 0.050 4.689 4.640 -0.003 0.000 0.241 953 D C 1.348 177.583 176.300 -0.109 0.000 1.133 953 D CA 0.024 54.022 54.000 -0.004 0.000 0.890 953 D CB 1.104 41.913 40.800 0.015 0.000 1.201 953 D HN 0.717 nan 8.370 nan 0.000 0.432 954 C N 1.939 121.167 119.300 -0.120 0.000 2.409 954 C HA -0.025 4.433 4.460 -0.003 0.000 0.284 954 C C 1.403 176.375 174.990 -0.029 0.000 1.354 954 C CA 0.328 59.225 59.018 -0.201 0.000 1.787 954 C CB -0.926 26.712 27.740 -0.170 0.000 1.900 954 C HN 0.660 nan 8.230 nan 0.000 0.520 955 E N 1.237 121.436 120.200 -0.003 0.000 2.451 955 E HA 0.143 4.492 4.350 -0.003 0.000 0.194 955 E C 0.563 177.107 176.600 -0.094 0.000 1.027 955 E CA -0.254 56.152 56.400 0.010 0.000 0.914 955 E CB 0.335 30.063 29.700 0.045 0.000 1.054 955 E HN 0.580 nan 8.360 nan 0.000 0.461 956 S N 0.387 116.000 115.700 -0.145 0.000 2.558 956 S HA 0.068 4.536 4.470 -0.003 0.000 0.288 956 S C 1.008 175.307 174.600 -0.503 0.000 1.318 956 S CA 0.123 58.183 58.200 -0.233 0.000 1.056 956 S CB 0.969 64.056 63.200 -0.189 0.000 0.853 956 S HN 0.330 nan 8.310 nan 0.000 0.505 957 A N 3.561 125.989 122.820 -0.654 0.000 2.302 957 A HA 0.192 4.510 4.320 -0.003 0.000 0.219 957 A C 1.109 178.146 177.584 -0.912 0.000 1.243 957 A CA 0.072 51.333 52.037 -1.293 0.000 0.856 957 A CB -0.109 18.241 19.000 -1.084 0.000 0.893 957 A HN 0.851 nan 8.150 nan 0.000 0.491 958 D N 0.110 120.182 120.400 -0.546 0.000 2.349 958 D HA 0.171 4.809 4.640 -0.003 0.000 0.214 958 D C 0.444 176.457 176.300 -0.478 0.000 1.063 958 D CA 0.295 54.099 54.000 -0.326 0.000 0.847 958 D CB 0.343 41.091 40.800 -0.087 0.000 0.933 958 D HN 0.706 nan 8.370 nan 0.000 0.513 959 I N -2.319 117.853 120.570 -0.664 0.000 2.530 959 I HA 0.552 4.721 4.170 -0.003 0.000 0.297 959 I C -1.247 174.526 176.117 -0.572 0.000 1.011 959 I CA -0.966 60.114 61.300 -0.365 0.000 1.107 959 I CB 1.620 39.603 38.000 -0.029 0.000 1.285 959 I HN -0.320 nan 8.210 nan 0.000 0.436 960 Y N 2.885 123.060 120.300 -0.209 0.000 2.562 960 Y HA 0.572 5.120 4.550 -0.003 0.000 0.345 960 Y C -2.688 172.568 175.900 -1.073 0.000 1.045 960 Y CA -2.595 55.005 58.100 -0.833 0.000 1.028 960 Y CB 1.944 39.922 38.460 -0.805 0.000 1.297 960 Y HN 0.400 nan 8.280 nan 0.000 0.463 961 P HA 0.046 nan 4.420 nan 0.000 0.271 961 P C -0.545 176.581 177.300 -0.291 0.000 1.218 961 P CA -0.337 62.227 63.100 -0.894 0.000 0.780 961 P CB 0.595 31.606 31.700 -1.148 0.000 0.901 962 V N 0.628 120.367 119.914 -0.293 0.000 2.540 962 V HA 0.401 4.519 4.120 -0.003 0.000 0.297 962 V C 1.229 177.298 176.094 -0.042 0.000 1.024 962 V CA 1.045 63.150 62.300 -0.326 0.000 1.105 962 V CB -0.638 30.528 31.823 -1.096 0.000 0.938 962 V HN 0.984 nan 8.190 nan 0.000 0.482 963 G N 3.613 112.574 108.800 0.270 0.000 2.201 963 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.212 963 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.212 963 G C 0.352 175.485 174.900 0.389 0.000 0.994 963 G CA 0.642 45.960 45.100 0.364 0.000 0.644 963 G HN 1.371 nan 8.290 nan 0.000 0.508 964 W N 0.946 122.424 121.300 0.297 0.000 2.333 964 W HA -0.098 4.561 4.660 -0.003 0.000 0.316 964 W C 2.560 179.075 176.519 -0.006 0.000 1.215 964 W CA 2.840 60.271 57.345 0.142 0.000 1.278 964 W CB -0.784 28.732 29.460 0.093 0.000 1.154 964 W HN 0.360 nan 8.180 nan 0.000 0.486 965 C N -0.616 118.765 119.300 0.135 0.000 2.376 965 C HA -0.280 4.178 4.460 -0.003 0.000 0.275 965 C C 2.967 177.846 174.990 -0.184 0.000 1.200 965 C CA 1.754 60.717 59.018 -0.091 0.000 1.756 965 C CB -1.653 26.193 27.740 0.177 0.000 2.050 965 C HN 0.374 nan 8.230 nan 0.000 0.460 966 V N 0.645 120.531 119.914 -0.047 0.000 2.407 966 V HA -0.160 3.959 4.120 -0.003 0.000 0.248 966 V C 2.068 178.056 176.094 -0.176 0.000 1.055 966 V CA 2.061 64.318 62.300 -0.072 0.000 1.049 966 V CB -0.644 31.187 31.823 0.015 0.000 0.662 966 V HN 0.646 nan 8.190 nan 0.000 0.455 967 L N -0.320 120.741 121.223 -0.270 0.000 1.961 967 L HA -0.118 4.221 4.340 -0.003 0.000 0.210 967 L C 2.505 179.135 176.870 -0.399 0.000 1.072 967 L CA 2.558 57.184 54.840 -0.357 0.000 0.749 967 L CB -0.413 41.318 42.059 -0.547 0.000 0.889 967 L HN 0.264 nan 8.230 nan 0.000 0.432 968 V N 0.499 120.026 119.914 -0.644 0.000 2.970 968 V HA -0.142 3.977 4.120 -0.003 0.000 0.260 968 V C 0.759 176.602 176.094 -0.418 0.000 1.100 968 V CA 1.164 63.068 62.300 -0.661 0.000 1.122 968 V CB -0.794 30.212 31.823 -1.362 0.000 0.721 968 V HN 0.843 nan 8.190 nan 0.000 0.483 969 N N 0.686 119.183 118.700 -0.339 0.000 2.858 969 N HA -0.199 4.539 4.740 -0.003 0.000 0.247 969 N C -0.476 174.933 175.510 -0.169 0.000 1.092 969 N CA 0.597 53.526 53.050 -0.202 0.000 0.675 969 N CB -1.634 36.761 38.487 -0.154 0.000 0.959 969 N HN 0.702 nan 8.380 nan 0.000 0.558 970 H N 0.669 119.563 119.070 -0.293 0.000 2.637 970 H HA 0.344 4.898 4.556 -0.003 0.000 0.363 970 H C -0.357 174.888 175.328 -0.140 0.000 1.131 970 H CA -0.566 55.338 56.048 -0.240 0.000 1.183 970 H CB 1.289 30.864 29.762 -0.311 0.000 1.637 970 H HN 0.250 nan 8.280 nan 0.000 0.531 971 K N 3.667 123.937 120.400 -0.216 0.000 2.448 971 K HA 0.058 4.376 4.320 -0.003 0.000 0.278 971 K C -0.793 175.910 176.600 0.170 0.000 1.009 971 K CA -0.357 55.898 56.287 -0.053 0.000 0.995 971 K CB 0.264 32.672 32.500 -0.153 0.000 0.917 971 K HN 0.325 nan 8.250 nan 0.000 0.481 972 L N 4.716 126.013 121.223 0.123 0.000 2.305 972 L HA 0.275 4.614 4.340 -0.003 0.000 0.284 972 L C -0.871 176.038 176.870 0.065 0.000 1.013 972 L CA -0.160 54.762 54.840 0.137 0.000 0.819 972 L CB 1.447 43.594 42.059 0.147 0.000 1.227 972 L HN 0.563 nan 8.230 nan 0.000 0.417 973 E N 3.904 124.118 120.200 0.023 0.000 2.259 973 E HA 0.424 4.772 4.350 -0.003 0.000 0.281 973 E C 0.081 176.545 176.600 -0.228 0.000 1.037 973 E CA -0.122 56.253 56.400 -0.042 0.000 0.854 973 E CB 1.332 31.026 29.700 -0.010 0.000 1.051 973 E HN 0.827 nan 8.360 nan 0.000 0.409 974 G N 3.052 111.632 108.800 -0.368 0.000 2.557 974 G HA2 0.438 4.396 3.960 -0.003 0.000 0.302 974 G HA3 0.438 4.396 3.960 -0.003 0.000 0.302 974 G C -2.316 172.317 174.900 -0.445 0.000 1.311 974 G CA -1.230 43.338 45.100 -0.887 0.000 1.030 974 G HN 0.299 nan 8.290 nan 0.000 0.509 975 P HA 0.163 nan 4.420 nan 0.000 0.266 975 P C -2.422 174.648 177.300 -0.383 0.000 1.195 975 P CA -0.670 62.214 63.100 -0.360 0.000 0.768 975 P CB 0.216 31.751 31.700 -0.274 0.000 0.838 976 P HA 0.238 nan 4.420 nan 0.000 0.279 976 P C -1.686 175.387 177.300 -0.379 0.000 1.239 976 P CA -0.304 62.467 63.100 -0.549 0.000 0.789 976 P CB 1.864 32.932 31.700 -1.053 0.000 0.933 977 R N 0.000 120.356 120.500 -0.240 0.000 2.786 977 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 977 R CA 0.000 56.000 56.100 -0.167 0.000 0.921 977 R CB 0.000 30.230 30.300 -0.117 0.000 0.687 977 R HN 0.000 nan 8.270 nan 0.000 0.535