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 3bg3_1_A DATA FIRST_RESID 494 DATA SEQUENCE QNRAQKLLHY LGHVMVNGPT TPIPVKASPS PTDPVVPAVP IGPPPAGFRD DATA SEQUENCE ILLREGPEGF ARAVRNHPGL LLMDTTFRDA HQSLLATRVR THDLKKIAPY DATA SEQUENCE VAHNFSKLFS MENWGGATFD VAMRFLYECP WRRLQELREL IPNIPFQMLL DATA SEQUENCE RGANAVGYTN YPDNVVFKFC EVAKENGMDV FRVFDSLNYL PNMLLGMEAA DATA SEQUENCE GSAGGVVEAA ISYTGDVADP SRTKYSLQYY MGLAEELVRA GTHILCIXDM DATA SEQUENCE AGLLKPTACT MLVSSLRDRF PDLPLHIHTH DTSGAGVAAM LACAQAGADV DATA SEQUENCE VDVAADSMSG MTSQPSMGAL VACTRGTPLD TEVPMERVFD YSEYWEGARG DATA SEQUENCE LYAAFDCTAT MKSGNSDVYE NEIPGGQYTN LHFQAHSMGL GSKFKEVKKA DATA SEQUENCE YVEANQMLGD LIKVTPSSKI VGDLAQFMVQ NGLSRAEAEA QAEELSFPRS DATA SEQUENCE VVEFLQGYIG VPHGGFPEPF RSKVLKDLPR VEGRPGASLP PLDLQALEKE DATA SEQUENCE LVDRHGEEVT PEDVLSAAMY PDVFAHFKDF TATFGPLDSL NTRLFLQGPK DATA SEQUENCE IAEEFEVELE RGKTLHIKAL AVSDLNRAGQ RQVFFELNGQ LRSILVKDTQ DATA SEQUENCE AMKEXXXXXK ALKDVKGQIG APMPGKVIDI KVVAGAKVAK GQPLCVLSAM DATA SEQUENCE KMETVVTSPM EGTVRKVHVT KDMTLEGDDL ILEIE 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 494 Q HA 0.000 nan 4.340 nan 0.000 0.214 494 Q C 0.000 175.999 176.000 -0.001 0.000 1.003 494 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 494 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 495 N N 1.546 120.243 118.700 -0.005 0.000 2.453 495 N HA -0.088 4.653 4.740 0.001 0.000 0.183 495 N C 0.569 176.076 175.510 -0.005 0.000 1.041 495 N CA 0.688 53.733 53.050 -0.007 0.000 0.900 495 N CB 0.310 38.785 38.487 -0.020 0.000 0.961 495 N HN 0.419 nan 8.380 nan 0.000 0.443 496 R N -0.328 120.170 120.500 -0.004 0.000 2.317 496 R HA 0.162 4.502 4.340 0.001 0.000 0.208 496 R C 1.528 177.835 176.300 0.012 0.000 0.914 496 R CA 0.203 56.304 56.100 0.002 0.000 1.060 496 R CB 0.328 30.628 30.300 0.000 0.000 1.015 496 R HN 0.173 nan 8.270 nan 0.000 0.498 497 A N 0.475 123.297 122.820 0.004 0.000 1.943 497 A HA -0.117 4.203 4.320 0.001 0.000 0.213 497 A C 2.003 179.580 177.584 -0.012 0.000 1.181 497 A CA 0.516 52.547 52.037 -0.010 0.000 0.653 497 A CB -0.054 18.932 19.000 -0.024 0.000 0.833 497 A HN 0.125 nan 8.150 nan 0.000 0.451 498 Q N 0.443 120.252 119.800 0.016 0.000 2.096 498 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 498 Q C 1.893 177.992 176.000 0.164 0.000 0.982 498 Q CA 2.166 58.013 55.803 0.073 0.000 0.850 498 Q CB -0.235 28.561 28.738 0.097 0.000 0.901 498 Q HN 0.643 nan 8.270 nan 0.000 0.422 499 K N -0.501 119.960 120.400 0.102 0.000 2.097 499 K HA -0.133 4.187 4.320 0.001 0.000 0.205 499 K C 1.952 178.673 176.600 0.202 0.000 1.050 499 K CA 1.060 57.416 56.287 0.114 0.000 0.938 499 K CB -0.225 32.280 32.500 0.008 0.000 0.718 499 K HN 0.197 nan 8.250 nan 0.000 0.442 500 L N 1.515 122.816 121.223 0.129 0.000 2.017 500 L HA -0.159 4.181 4.340 0.001 0.000 0.208 500 L C 1.841 178.794 176.870 0.138 0.000 1.073 500 L CA 1.593 56.520 54.840 0.146 0.000 0.745 500 L CB -0.412 41.698 42.059 0.085 0.000 0.894 500 L HN 0.119 nan 8.230 nan 0.000 0.432 501 L N -1.252 119.962 121.223 -0.016 0.000 2.017 501 L HA -0.238 4.103 4.340 0.001 0.000 0.208 501 L C 2.693 179.560 176.870 -0.005 0.000 1.073 501 L CA 1.275 55.973 54.840 -0.237 0.000 0.745 501 L CB -0.990 40.740 42.059 -0.547 0.000 0.894 501 L HN 0.419 nan 8.230 nan 0.000 0.432 502 H N -1.464 117.672 119.070 0.110 0.000 2.422 502 H HA -0.247 4.309 4.556 0.001 0.000 0.298 502 H C 2.044 177.576 175.328 0.340 0.000 1.098 502 H CA 2.218 58.404 56.048 0.230 0.000 1.315 502 H CB -0.023 29.864 29.762 0.208 0.000 1.382 502 H HN 0.410 nan 8.280 nan 0.000 0.523 503 Y N 0.975 121.443 120.300 0.279 0.000 2.176 503 Y HA -0.125 4.425 4.550 0.001 0.000 0.291 503 Y C 2.495 178.365 175.900 -0.050 0.000 1.122 503 Y CA 0.888 58.885 58.100 -0.172 0.000 1.128 503 Y CB -0.422 37.873 38.460 -0.274 0.000 1.005 503 Y HN -0.037 nan 8.280 nan 0.000 0.509 504 L N -0.018 121.208 121.223 0.006 0.000 2.127 504 L HA -0.186 4.155 4.340 0.001 0.000 0.211 504 L C 2.643 179.524 176.870 0.018 0.000 1.089 504 L CA 1.451 56.285 54.840 -0.010 0.000 0.757 504 L CB -1.008 41.175 42.059 0.208 0.000 0.899 504 L HN 0.440 nan 8.230 nan 0.000 0.434 505 G N -1.880 107.005 108.800 0.143 0.000 2.403 505 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 505 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 505 G C 1.543 176.440 174.900 -0.005 0.000 1.154 505 G CA 0.386 45.563 45.100 0.128 0.000 0.784 505 G HN 0.423 nan 8.290 nan 0.000 0.538 506 H N 0.347 119.344 119.070 -0.122 0.000 2.421 506 H HA -0.026 4.530 4.556 0.001 0.000 0.298 506 H C 2.517 177.692 175.328 -0.256 0.000 1.087 506 H CA 1.434 57.388 56.048 -0.156 0.000 1.330 506 H CB 0.169 29.832 29.762 -0.166 0.000 1.388 506 H HN 0.182 nan 8.280 nan 0.000 0.526 507 V N 2.040 121.712 119.914 -0.403 0.000 2.270 507 V HA -0.294 3.827 4.120 0.001 0.000 0.245 507 V C 2.603 178.538 176.094 -0.265 0.000 1.043 507 V CA 2.159 64.225 62.300 -0.390 0.000 1.014 507 V CB -0.549 31.003 31.823 -0.452 0.000 0.645 507 V HN 0.503 nan 8.190 nan 0.000 0.447 508 M N -1.512 117.971 119.600 -0.195 0.000 2.633 508 M HA 0.172 4.652 4.480 0.001 0.000 0.226 508 M C 1.089 177.307 176.300 -0.136 0.000 1.137 508 M CA 0.950 56.165 55.300 -0.142 0.000 1.020 508 M CB 0.022 32.561 32.600 -0.102 0.000 1.675 508 M HN 0.070 nan 8.290 nan 0.000 0.500 509 V N -0.010 119.802 119.914 -0.171 0.000 3.359 509 V HA 0.131 4.251 4.120 0.001 0.000 0.245 509 V C 1.446 177.436 176.094 -0.173 0.000 1.247 509 V CA 0.560 62.771 62.300 -0.149 0.000 1.145 509 V CB 0.280 32.026 31.823 -0.128 0.000 0.906 509 V HN 0.515 nan 8.190 nan 0.000 0.464 510 N N 0.181 118.720 118.700 -0.268 0.000 2.184 510 N HA 0.305 5.045 4.740 0.001 0.000 0.206 510 N C 0.877 176.274 175.510 -0.188 0.000 1.151 510 N CA 1.015 53.911 53.050 -0.257 0.000 0.878 510 N CB 1.694 39.912 38.487 -0.447 0.000 1.014 510 N HN 0.492 nan 8.380 nan 0.000 0.512 511 G N 1.910 110.601 108.800 -0.181 0.000 2.828 511 G HA2 -0.207 3.753 3.960 0.001 0.000 0.463 511 G HA3 -0.207 3.753 3.960 0.001 0.000 0.463 511 G C -2.773 172.052 174.900 -0.125 0.000 1.394 511 G CA -1.086 43.935 45.100 -0.132 0.000 0.862 511 G HN -0.009 nan 8.290 nan 0.000 0.540 512 P HA 0.109 nan 4.420 nan 0.000 0.251 512 P C 1.057 178.353 177.300 -0.007 0.000 1.154 512 P CA 1.077 64.137 63.100 -0.067 0.000 0.805 512 P CB 0.495 32.159 31.700 -0.059 0.000 0.759 513 T N 1.525 116.083 114.554 0.008 0.000 2.915 513 T HA -0.070 4.280 4.350 0.001 0.000 0.269 513 T C 0.952 175.778 174.700 0.211 0.000 1.071 513 T CA 1.245 63.425 62.100 0.133 0.000 1.132 513 T CB -0.135 68.859 68.868 0.209 0.000 0.878 513 T HN 0.361 nan 8.240 nan 0.000 0.479 514 T N 2.432 117.097 114.554 0.185 0.000 2.882 514 T HA 0.338 4.688 4.350 0.001 0.000 0.287 514 T C -2.663 172.150 174.700 0.188 0.000 1.014 514 T CA -1.925 60.321 62.100 0.242 0.000 1.049 514 T CB 0.852 69.874 68.868 0.256 0.000 1.001 514 T HN 0.068 nan 8.240 nan 0.000 0.525 515 P HA 0.095 nan 4.420 nan 0.000 0.260 515 P C -0.579 176.784 177.300 0.105 0.000 1.185 515 P CA 0.295 63.460 63.100 0.109 0.000 0.763 515 P CB -0.087 31.650 31.700 0.061 0.000 0.776 516 I N 6.058 126.653 120.570 0.043 0.000 2.442 516 I HA 0.214 4.385 4.170 0.001 0.000 0.279 516 I C -1.658 174.414 176.117 -0.074 0.000 1.081 516 I CA -3.066 58.191 61.300 -0.073 0.000 1.197 516 I CB 1.824 39.759 38.000 -0.108 0.000 1.394 516 I HN 0.120 nan 8.210 nan 0.000 0.488 517 P HA -0.082 nan 4.420 nan 0.000 0.214 517 P C 0.287 177.710 177.300 0.205 0.000 1.163 517 P CA 0.951 64.083 63.100 0.053 0.000 0.883 517 P CB 0.067 31.632 31.700 -0.225 0.000 0.788 518 V N 1.667 121.615 119.914 0.057 0.000 2.509 518 V HA 0.111 4.231 4.120 0.001 0.000 0.284 518 V C 1.149 177.220 176.094 -0.038 0.000 1.047 518 V CA -0.652 61.696 62.300 0.079 0.000 0.952 518 V CB 1.343 33.208 31.823 0.070 0.000 0.988 518 V HN 0.006 nan 8.190 nan 0.000 0.469 519 K N 2.859 123.249 120.400 -0.017 0.000 2.914 519 K HA 0.218 4.539 4.320 0.001 0.000 0.246 519 K C 0.351 176.913 176.600 -0.063 0.000 0.949 519 K CA 0.213 56.474 56.287 -0.043 0.000 1.136 519 K CB -0.406 32.078 32.500 -0.028 0.000 0.976 519 K HN 0.687 nan 8.250 nan 0.000 0.473 520 A N 1.052 123.819 122.820 -0.089 0.000 2.337 520 A HA 0.516 4.837 4.320 0.001 0.000 0.331 520 A C 0.228 177.736 177.584 -0.126 0.000 1.137 520 A CA -0.617 51.364 52.037 -0.092 0.000 0.807 520 A CB 0.987 19.941 19.000 -0.077 0.000 1.250 520 A HN 0.265 nan 8.150 nan 0.000 0.468 521 S N 1.172 116.810 115.700 -0.104 0.000 2.722 521 S HA 0.809 5.279 4.470 0.001 0.000 0.292 521 S C -2.715 171.820 174.600 -0.107 0.000 1.135 521 S CA -1.258 56.876 58.200 -0.111 0.000 1.003 521 S CB 0.666 63.812 63.200 -0.089 0.000 1.067 521 S HN 0.481 nan 8.310 nan 0.000 0.546 522 P HA 0.304 nan 4.420 nan 0.000 0.273 522 P C -0.416 176.833 177.300 -0.086 0.000 1.250 522 P CA -0.496 62.538 63.100 -0.110 0.000 0.793 522 P CB 0.204 31.824 31.700 -0.133 0.000 1.011 523 S N 1.573 117.225 115.700 -0.079 0.000 2.549 523 S HA 0.147 4.618 4.470 0.001 0.000 0.283 523 S C -1.707 172.854 174.600 -0.064 0.000 1.320 523 S CA -0.484 57.677 58.200 -0.064 0.000 1.058 523 S CB -0.337 62.826 63.200 -0.061 0.000 0.882 523 S HN 0.332 nan 8.310 nan 0.000 0.498 524 P HA 0.150 nan 4.420 nan 0.000 0.253 524 P C -0.446 176.831 177.300 -0.037 0.000 1.508 524 P CA 0.008 63.082 63.100 -0.044 0.000 0.883 524 P CB -0.365 31.314 31.700 -0.036 0.000 1.519 525 T N -2.680 111.847 114.554 -0.045 0.000 2.906 525 T HA 0.584 4.934 4.350 0.001 0.000 0.295 525 T C -1.150 173.516 174.700 -0.056 0.000 1.061 525 T CA -0.969 61.106 62.100 -0.042 0.000 1.000 525 T CB 1.769 70.613 68.868 -0.039 0.000 1.103 525 T HN -0.187 nan 8.240 nan 0.000 0.486 526 D N 0.674 121.046 120.400 -0.047 0.000 2.278 526 D HA 0.571 5.211 4.640 0.001 0.000 0.245 526 D C -2.697 173.558 176.300 -0.075 0.000 1.052 526 D CA -2.006 51.962 54.000 -0.053 0.000 0.834 526 D CB 0.117 40.909 40.800 -0.013 0.000 1.194 526 D HN 0.251 nan 8.370 nan 0.000 0.481 527 P HA 0.001 nan 4.420 nan 0.000 0.266 527 P C -0.476 176.782 177.300 -0.070 0.000 1.186 527 P CA -0.256 62.692 63.100 -0.254 0.000 0.767 527 P CB 0.437 31.753 31.700 -0.639 0.000 0.820 528 V N 3.985 123.877 119.914 -0.037 0.000 2.408 528 V HA 0.086 4.207 4.120 0.001 0.000 0.267 528 V C 0.315 176.495 176.094 0.144 0.000 1.047 528 V CA -0.312 62.015 62.300 0.045 0.000 0.937 528 V CB 1.098 32.933 31.823 0.020 0.000 0.999 528 V HN 0.219 nan 8.190 nan 0.000 0.472 529 V N 8.028 128.013 119.914 0.118 0.000 2.364 529 V HA 0.320 4.440 4.120 0.001 0.000 0.272 529 V C -1.866 174.224 176.094 -0.008 0.000 1.036 529 V CA -1.625 60.705 62.300 0.051 0.000 0.880 529 V CB 1.068 32.913 31.823 0.037 0.000 0.991 529 V HN 0.783 nan 8.190 nan 0.000 0.460 530 P HA 0.284 nan 4.420 nan 0.000 0.269 530 P C -0.027 177.318 177.300 0.075 0.000 1.209 530 P CA -0.118 62.958 63.100 -0.039 0.000 0.776 530 P CB 0.518 32.096 31.700 -0.204 0.000 0.876 531 A N 2.310 125.180 122.820 0.084 0.000 2.561 531 A HA 0.374 4.695 4.320 0.001 0.000 0.234 531 A C 0.333 177.977 177.584 0.101 0.000 1.055 531 A CA 0.019 52.102 52.037 0.076 0.000 0.756 531 A CB -0.455 18.574 19.000 0.049 0.000 0.986 531 A HN 0.479 nan 8.150 nan 0.000 0.505 532 V N 0.451 120.392 119.914 0.044 0.000 2.769 532 V HA 0.728 4.849 4.120 0.001 0.000 0.312 532 V C -2.596 173.394 176.094 -0.172 0.000 1.061 532 V CA -2.283 59.989 62.300 -0.045 0.000 0.931 532 V CB 0.922 32.758 31.823 0.021 0.000 1.010 532 V HN 0.779 nan 8.190 nan 0.000 0.433 533 P HA 0.383 nan 4.420 nan 0.000 0.268 533 P C 0.784 177.937 177.300 -0.246 0.000 1.208 533 P CA -0.180 62.704 63.100 -0.359 0.000 0.777 533 P CB 0.491 31.881 31.700 -0.517 0.000 0.875 534 I N -0.505 120.014 120.570 -0.085 0.000 2.876 534 I HA 0.088 4.259 4.170 0.001 0.000 0.264 534 I C 1.468 177.618 176.117 0.055 0.000 1.204 534 I CA 0.289 61.588 61.300 -0.003 0.000 1.485 534 I CB -0.793 37.208 38.000 0.001 0.000 1.103 534 I HN 0.325 nan 8.210 nan 0.000 0.446 535 G N 2.073 110.919 108.800 0.076 0.000 2.516 535 G HA2 0.353 4.313 3.960 0.001 0.000 0.276 535 G HA3 0.353 4.313 3.960 0.001 0.000 0.276 535 G C -2.234 172.762 174.900 0.161 0.000 1.390 535 G CA -0.661 44.501 45.100 0.103 0.000 1.050 535 G HN 0.050 nan 8.290 nan 0.000 0.519 536 P HA 0.267 nan 4.420 nan 0.000 0.272 536 P C -2.400 174.883 177.300 -0.028 0.000 1.230 536 P CA -0.880 62.222 63.100 0.004 0.000 0.788 536 P CB 0.735 32.423 31.700 -0.020 0.000 0.949 537 P HA 0.349 nan 4.420 nan 0.000 0.277 537 P C -2.513 174.706 177.300 -0.136 0.000 1.271 537 P CA -1.667 61.198 63.100 -0.391 0.000 0.795 537 P CB -1.214 30.171 31.700 -0.526 0.000 1.101 538 P HA 0.183 nan 4.420 nan 0.000 0.272 538 P C -0.531 176.718 177.300 -0.086 0.000 1.223 538 P CA -0.186 62.875 63.100 -0.066 0.000 0.784 538 P CB 0.014 31.681 31.700 -0.055 0.000 0.923 539 A N 2.080 124.852 122.820 -0.081 0.000 2.524 539 A HA 0.494 4.815 4.320 0.001 0.000 0.250 539 A C 0.922 178.442 177.584 -0.107 0.000 1.078 539 A CA 0.646 52.627 52.037 -0.092 0.000 0.761 539 A CB -0.643 18.302 19.000 -0.090 0.000 1.012 539 A HN 0.637 nan 8.150 nan 0.000 0.500 540 G N 0.169 108.912 108.800 -0.094 0.000 2.857 540 G HA2 0.487 4.448 3.960 0.001 0.000 0.217 540 G HA3 0.487 4.448 3.960 0.001 0.000 0.217 540 G C 0.180 175.017 174.900 -0.105 0.000 1.357 540 G CA -0.437 44.619 45.100 -0.073 0.000 1.033 540 G HN 0.513 nan 8.290 nan 0.000 0.571 541 F N -0.590 119.353 119.950 -0.013 0.000 2.456 541 F HA 0.177 4.705 4.527 0.001 0.000 0.298 541 F C 2.785 178.568 175.800 -0.028 0.000 1.104 541 F CA 0.574 58.604 58.000 0.051 0.000 1.435 541 F CB 0.261 39.364 39.000 0.171 0.000 1.078 541 F HN 0.219 nan 8.300 nan 0.000 0.546 542 R N 0.621 121.142 120.500 0.035 0.000 2.148 542 R HA -0.141 4.199 4.340 0.001 0.000 0.227 542 R C 1.202 177.451 176.300 -0.085 0.000 1.103 542 R CA 1.759 57.797 56.100 -0.103 0.000 0.983 542 R CB -0.318 29.890 30.300 -0.155 0.000 0.874 542 R HN 0.266 nan 8.270 nan 0.000 0.451 543 D N 0.152 120.517 120.400 -0.060 0.000 2.117 543 D HA -0.140 4.500 4.640 0.001 0.000 0.198 543 D C 1.733 178.013 176.300 -0.034 0.000 0.982 543 D CA 1.134 55.098 54.000 -0.060 0.000 0.828 543 D CB -0.026 40.731 40.800 -0.071 0.000 0.967 543 D HN 0.244 nan 8.370 nan 0.000 0.464 544 I N 0.219 120.790 120.570 0.000 0.000 2.179 544 I HA -0.193 3.977 4.170 0.001 0.000 0.242 544 I C 2.155 178.325 176.117 0.087 0.000 1.088 544 I CA 0.527 61.864 61.300 0.061 0.000 1.357 544 I CB -0.128 37.947 38.000 0.125 0.000 1.051 544 I HN 0.043 nan 8.210 nan 0.000 0.409 545 L N 0.765 122.024 121.223 0.060 0.000 2.017 545 L HA -0.185 4.156 4.340 0.001 0.000 0.208 545 L C 2.252 179.078 176.870 -0.073 0.000 1.073 545 L CA 1.887 56.689 54.840 -0.062 0.000 0.745 545 L CB -0.565 41.273 42.059 -0.367 0.000 0.894 545 L HN 0.133 nan 8.230 nan 0.000 0.432 546 L N -0.824 120.351 121.223 -0.081 0.000 2.131 546 L HA -0.167 4.173 4.340 0.001 0.000 0.210 546 L C 2.714 179.559 176.870 -0.042 0.000 1.092 546 L CA 1.330 56.127 54.840 -0.071 0.000 0.759 546 L CB -0.397 41.613 42.059 -0.080 0.000 0.903 546 L HN 0.261 nan 8.230 nan 0.000 0.435 547 R N -0.624 119.861 120.500 -0.025 0.000 2.140 547 R HA -0.046 4.295 4.340 0.001 0.000 0.213 547 R C 1.630 177.931 176.300 0.002 0.000 1.059 547 R CA 0.743 56.835 56.100 -0.013 0.000 1.000 547 R CB 0.117 30.410 30.300 -0.012 0.000 0.910 547 R HN 0.221 nan 8.270 nan 0.000 0.455 548 E N -0.880 119.331 120.200 0.017 0.000 2.490 548 E HA 0.199 4.549 4.350 0.001 0.000 0.209 548 E C 0.123 176.741 176.600 0.029 0.000 0.971 548 E CA 0.390 56.809 56.400 0.033 0.000 0.988 548 E CB 1.523 31.259 29.700 0.059 0.000 1.029 548 E HN 0.359 nan 8.360 nan 0.000 0.496 549 G N 1.041 109.846 108.800 0.010 0.000 2.796 549 G HA2 -0.199 3.761 3.960 0.001 0.000 0.571 549 G HA3 -0.199 3.761 3.960 0.001 0.000 0.571 549 G C -2.017 172.873 174.900 -0.018 0.000 1.370 549 G CA -0.395 44.697 45.100 -0.014 0.000 0.856 549 G HN -0.038 nan 8.290 nan 0.000 0.538 550 P HA -0.065 nan 4.420 nan 0.000 0.216 550 P C 1.376 178.573 177.300 -0.171 0.000 1.153 550 P CA 1.891 64.843 63.100 -0.247 0.000 0.848 550 P CB 0.005 31.317 31.700 -0.646 0.000 0.787 551 E N -0.319 119.841 120.200 -0.066 0.000 2.110 551 E HA -0.114 4.237 4.350 0.001 0.000 0.193 551 E C 2.318 178.976 176.600 0.097 0.000 0.988 551 E CA 1.368 57.826 56.400 0.096 0.000 0.804 551 E CB -0.718 29.061 29.700 0.133 0.000 0.745 551 E HN 0.306 nan 8.360 nan 0.000 0.458 552 G N 0.955 109.808 108.800 0.087 0.000 2.414 552 G HA2 -0.274 3.686 3.960 0.001 0.000 0.215 552 G HA3 -0.274 3.686 3.960 0.001 0.000 0.215 552 G C 1.393 176.377 174.900 0.140 0.000 1.188 552 G CA 0.438 45.596 45.100 0.098 0.000 0.783 552 G HN 0.291 nan 8.290 nan 0.000 0.537 553 F N 2.397 122.356 119.950 0.015 0.000 2.154 553 F HA -0.075 4.452 4.527 0.001 0.000 0.301 553 F C 2.725 178.575 175.800 0.083 0.000 1.087 553 F CA 1.666 59.694 58.000 0.047 0.000 1.274 553 F CB 0.031 39.019 39.000 -0.019 0.000 1.009 553 F HN 0.224 nan 8.300 nan 0.000 0.485 554 A N 0.487 123.298 122.820 -0.015 0.000 2.014 554 A HA -0.103 4.218 4.320 0.001 0.000 0.218 554 A C 2.265 179.820 177.584 -0.049 0.000 1.163 554 A CA 1.217 53.210 52.037 -0.072 0.000 0.652 554 A CB -0.592 18.475 19.000 0.112 0.000 0.808 554 A HN 0.468 nan 8.150 nan 0.000 0.449 555 R N -0.554 119.951 120.500 0.009 0.000 2.073 555 R HA -0.025 4.315 4.340 0.001 0.000 0.229 555 R C 2.497 178.812 176.300 0.024 0.000 1.120 555 R CA 1.118 57.235 56.100 0.028 0.000 0.967 555 R CB -0.406 29.923 30.300 0.049 0.000 0.862 555 R HN 0.492 nan 8.270 nan 0.000 0.436 556 A N 0.775 123.612 122.820 0.028 0.000 1.902 556 A HA -0.108 4.212 4.320 0.001 0.000 0.217 556 A C 2.353 180.018 177.584 0.135 0.000 1.181 556 A CA 1.292 53.387 52.037 0.096 0.000 0.623 556 A CB -0.525 18.572 19.000 0.161 0.000 0.818 556 A HN 0.098 nan 8.150 nan 0.000 0.443 557 V N -0.008 119.876 119.914 -0.050 0.000 2.261 557 V HA -0.257 3.864 4.120 0.001 0.000 0.246 557 V C 2.685 178.775 176.094 -0.007 0.000 1.047 557 V CA 2.433 64.664 62.300 -0.116 0.000 1.015 557 V CB -0.783 30.839 31.823 -0.336 0.000 0.642 557 V HN 0.625 nan 8.190 nan 0.000 0.446 558 R N 1.173 121.662 120.500 -0.019 0.000 2.091 558 R HA -0.139 4.202 4.340 0.001 0.000 0.238 558 R C 1.961 178.287 176.300 0.045 0.000 1.136 558 R CA 1.946 58.052 56.100 0.010 0.000 0.959 558 R CB -0.738 29.570 30.300 0.014 0.000 0.856 558 R HN 0.569 nan 8.270 nan 0.000 0.437 559 N N -0.245 118.493 118.700 0.062 0.000 2.331 559 N HA -0.135 4.606 4.740 0.001 0.000 0.180 559 N C -0.099 175.462 175.510 0.085 0.000 1.019 559 N CA 0.527 53.614 53.050 0.063 0.000 0.881 559 N CB -0.534 37.984 38.487 0.053 0.000 0.972 559 N HN 0.368 nan 8.380 nan 0.000 0.435 560 H N 2.351 121.450 119.070 0.047 0.000 3.187 560 H HA 0.004 4.560 4.556 0.001 0.000 0.286 560 H C -1.344 174.002 175.328 0.031 0.000 0.944 560 H CA -0.948 55.138 56.048 0.063 0.000 1.429 560 H CB 0.919 30.761 29.762 0.133 0.000 1.483 560 H HN 0.059 nan 8.280 nan 0.000 0.555 561 P HA -0.043 nan 4.420 nan 0.000 0.212 561 P C 0.623 177.882 177.300 -0.067 0.000 1.180 561 P CA 1.323 64.352 63.100 -0.118 0.000 0.906 561 P CB -0.034 31.576 31.700 -0.150 0.000 0.782 562 G N -0.398 108.325 108.800 -0.128 0.000 2.611 562 G HA2 0.297 4.258 3.960 0.001 0.000 0.273 562 G HA3 0.297 4.258 3.960 0.001 0.000 0.273 562 G C -0.711 174.298 174.900 0.182 0.000 1.305 562 G CA -0.369 44.745 45.100 0.024 0.000 1.010 562 G HN 0.202 nan 8.290 nan 0.000 0.509 563 L N -0.649 120.649 121.223 0.126 0.000 2.349 563 L HA 0.513 4.854 4.340 0.001 0.000 0.275 563 L C -0.199 176.723 176.870 0.087 0.000 1.115 563 L CA -0.125 54.764 54.840 0.082 0.000 0.820 563 L CB 0.719 42.798 42.059 0.032 0.000 1.135 563 L HN 0.307 nan 8.230 nan 0.000 0.445 564 L N 5.750 126.968 121.223 -0.008 0.000 2.325 564 L HA 0.507 4.848 4.340 0.001 0.000 0.278 564 L C -0.600 176.219 176.870 -0.085 0.000 1.023 564 L CA -0.574 54.222 54.840 -0.075 0.000 0.811 564 L CB 1.535 43.483 42.059 -0.184 0.000 1.249 564 L HN 0.545 nan 8.230 nan 0.000 0.431 565 L N 3.171 124.382 121.223 -0.019 0.000 2.331 565 L HA 0.593 4.934 4.340 0.001 0.000 0.275 565 L C -0.347 176.549 176.870 0.042 0.000 1.022 565 L CA -0.406 54.437 54.840 0.005 0.000 0.812 565 L CB 1.975 44.067 42.059 0.054 0.000 1.257 565 L HN 0.611 nan 8.230 nan 0.000 0.435 566 M N 2.765 122.406 119.600 0.069 0.000 2.125 566 M HA 0.298 4.778 4.480 0.001 0.000 0.321 566 M C -1.129 175.225 176.300 0.090 0.000 0.983 566 M CA -0.623 54.766 55.300 0.148 0.000 0.934 566 M CB 1.520 34.314 32.600 0.324 0.000 1.542 566 M HN 0.509 nan 8.290 nan 0.000 0.424 567 D N 2.734 123.149 120.400 0.026 0.000 2.351 567 D HA 0.143 4.784 4.640 0.001 0.000 0.251 567 D C 0.737 177.043 176.300 0.010 0.000 1.137 567 D CA 0.239 54.234 54.000 -0.008 0.000 0.879 567 D CB 1.258 41.998 40.800 -0.099 0.000 1.181 567 D HN 0.696 nan 8.370 nan 0.000 0.448 568 T N -0.678 113.883 114.554 0.012 0.000 3.084 568 T HA 0.072 4.423 4.350 0.001 0.000 0.270 568 T C 1.387 176.077 174.700 -0.017 0.000 1.008 568 T CA -0.073 62.033 62.100 0.009 0.000 0.900 568 T CB -0.123 68.748 68.868 0.005 0.000 1.084 568 T HN 0.295 nan 8.240 nan 0.000 0.538 569 T N 1.775 116.313 114.554 -0.028 0.000 2.699 569 T HA -0.044 4.307 4.350 0.001 0.000 0.268 569 T C 0.969 175.634 174.700 -0.059 0.000 1.036 569 T CA 1.289 63.262 62.100 -0.212 0.000 1.147 569 T CB -0.537 68.089 68.868 -0.404 0.000 0.862 569 T HN 0.401 nan 8.240 nan 0.000 0.446 570 F N 0.680 120.596 119.950 -0.057 0.000 2.699 570 F HA 0.199 4.726 4.527 0.001 0.000 0.298 570 F C 2.242 178.146 175.800 0.174 0.000 1.154 570 F CA 0.263 58.322 58.000 0.098 0.000 1.457 570 F CB -0.106 38.940 39.000 0.076 0.000 1.106 570 F HN -0.030 nan 8.300 nan 0.000 0.585 571 R N -0.457 120.134 120.500 0.151 0.000 3.953 571 R HA 0.056 4.396 4.340 0.001 0.000 0.120 571 R C 1.612 177.705 176.300 -0.346 0.000 1.633 571 R CA 0.483 56.519 56.100 -0.106 0.000 1.197 571 R CB -0.939 29.355 30.300 -0.009 0.000 1.240 571 R HN -0.071 nan 8.270 nan 0.000 0.431 572 D N 1.338 121.641 120.400 -0.163 0.000 2.158 572 D HA -0.067 4.573 4.640 0.001 0.000 0.197 572 D C 1.535 177.726 176.300 -0.181 0.000 0.995 572 D CA 1.670 55.591 54.000 -0.132 0.000 0.846 572 D CB -0.001 40.797 40.800 -0.004 0.000 0.941 572 D HN 0.408 nan 8.370 nan 0.000 0.456 573 A N 0.533 123.240 122.820 -0.189 0.000 1.865 573 A HA -0.215 4.106 4.320 0.001 0.000 0.217 573 A C 2.109 179.587 177.584 -0.176 0.000 1.191 573 A CA 2.023 53.942 52.037 -0.196 0.000 0.623 573 A CB -1.110 17.750 19.000 -0.233 0.000 0.826 573 A HN 0.633 nan 8.150 nan 0.000 0.444 574 H N -1.377 117.567 119.070 -0.210 0.000 2.535 574 H HA 0.054 4.610 4.556 0.001 0.000 0.273 574 H C 1.851 177.085 175.328 -0.157 0.000 0.983 574 H CA 1.071 56.991 56.048 -0.213 0.000 1.238 574 H CB -0.398 29.193 29.762 -0.284 0.000 1.412 574 H HN 0.650 nan 8.280 nan 0.000 0.562 575 Q N 1.364 120.888 119.800 -0.461 0.000 2.170 575 Q HA -0.096 4.244 4.340 0.001 0.000 0.203 575 Q C 1.658 177.592 176.000 -0.108 0.000 0.976 575 Q CA 1.801 57.444 55.803 -0.266 0.000 0.858 575 Q CB 0.299 28.895 28.738 -0.237 0.000 0.907 575 Q HN 0.410 nan 8.270 nan 0.000 0.433 576 S N -0.237 115.416 115.700 -0.079 0.000 2.404 576 S HA 0.077 4.547 4.470 0.001 0.000 0.223 576 S C 1.735 176.317 174.600 -0.030 0.000 1.040 576 S CA 0.389 58.578 58.200 -0.017 0.000 0.957 576 S CB 0.096 63.310 63.200 0.023 0.000 0.826 576 S HN 0.319 nan 8.310 nan 0.000 0.491 577 L N 0.400 121.593 121.223 -0.050 0.000 2.202 577 L HA 0.267 4.607 4.340 0.001 0.000 0.205 577 L C 0.624 177.483 176.870 -0.019 0.000 1.083 577 L CA 0.877 55.695 54.840 -0.037 0.000 0.790 577 L CB -0.021 42.007 42.059 -0.051 0.000 0.942 577 L HN 0.195 nan 8.230 nan 0.000 0.452 578 L N -0.073 121.135 121.223 -0.026 0.000 3.255 578 L HA 0.396 4.736 4.340 0.001 0.000 0.293 578 L C 0.744 177.574 176.870 -0.068 0.000 1.302 578 L CA -0.463 54.372 54.840 -0.007 0.000 0.977 578 L CB 0.565 42.593 42.059 -0.051 0.000 1.390 578 L HN 0.112 nan 8.230 nan 0.000 0.588 579 A N -0.095 122.672 122.820 -0.087 0.000 2.624 579 A HA -0.293 4.027 4.320 0.001 0.000 0.302 579 A C 1.257 178.748 177.584 -0.155 0.000 1.504 579 A CA 1.124 53.078 52.037 -0.138 0.000 0.804 579 A CB -1.878 17.003 19.000 -0.199 0.000 1.020 579 A HN 0.772 nan 8.150 nan 0.000 0.444 580 T N -2.762 111.741 114.554 -0.086 0.000 5.060 580 T HA -0.281 4.070 4.350 0.001 0.000 0.309 580 T C 0.859 175.570 174.700 0.019 0.000 1.248 580 T CA 1.706 63.806 62.100 0.000 0.000 2.322 580 T CB -0.921 67.899 68.868 -0.081 0.000 1.982 580 T HN 0.831 nan 8.240 nan 0.000 0.955 581 R N 0.566 120.948 120.500 -0.198 0.000 2.307 581 R HA 0.261 4.602 4.340 0.001 0.000 0.199 581 R C 0.777 176.821 176.300 -0.426 0.000 1.000 581 R CA -0.165 55.699 56.100 -0.394 0.000 1.023 581 R CB -0.271 29.573 30.300 -0.759 0.000 0.908 581 R HN 0.546 nan 8.270 nan 0.000 0.473 582 V N 4.102 123.598 119.914 -0.696 0.000 2.485 582 V HA 0.026 4.146 4.120 0.001 0.000 0.287 582 V C 0.831 176.714 176.094 -0.352 0.000 1.022 582 V CA 0.031 61.822 62.300 -0.849 0.000 1.067 582 V CB 0.283 31.410 31.823 -1.161 0.000 0.967 582 V HN 0.265 nan 8.190 nan 0.000 0.479 583 R N 3.058 123.520 120.500 -0.064 0.000 2.573 583 R HA 0.448 4.789 4.340 0.001 0.000 0.272 583 R C 0.922 177.208 176.300 -0.022 0.000 1.009 583 R CA -0.595 55.471 56.100 -0.055 0.000 1.059 583 R CB 0.190 30.431 30.300 -0.099 0.000 1.112 583 R HN 0.515 nan 8.270 nan 0.000 0.517 584 T N 0.518 115.062 114.554 -0.017 0.000 2.685 584 T HA -0.268 4.082 4.350 0.001 0.000 0.268 584 T C 1.517 176.239 174.700 0.037 0.000 1.034 584 T CA 2.224 64.335 62.100 0.019 0.000 1.149 584 T CB -0.625 68.267 68.868 0.040 0.000 0.860 584 T HN 0.793 nan 8.240 nan 0.000 0.449 585 H N 1.440 120.493 119.070 -0.029 0.000 2.292 585 H HA -0.158 4.399 4.556 0.001 0.000 0.292 585 H C 1.896 177.223 175.328 -0.002 0.000 1.100 585 H CA 2.294 58.336 56.048 -0.009 0.000 1.238 585 H CB -0.144 29.607 29.762 -0.019 0.000 1.355 585 H HN 0.290 nan 8.280 nan 0.000 0.484 586 D N -0.237 120.259 120.400 0.159 0.000 2.183 586 D HA -0.081 4.559 4.640 0.001 0.000 0.203 586 D C 2.412 178.670 176.300 -0.069 0.000 0.969 586 D CA 0.819 54.878 54.000 0.098 0.000 0.842 586 D CB -0.045 40.825 40.800 0.116 0.000 0.957 586 D HN 0.440 nan 8.370 nan 0.000 0.484 587 L N 0.747 121.890 121.223 -0.132 0.000 2.072 587 L HA -0.095 4.245 4.340 0.001 0.000 0.205 587 L C 2.415 179.254 176.870 -0.051 0.000 1.079 587 L CA 0.933 55.599 54.840 -0.290 0.000 0.752 587 L CB -0.252 41.632 42.059 -0.292 0.000 0.906 587 L HN -0.097 nan 8.230 nan 0.000 0.436 588 K N 0.101 120.494 120.400 -0.013 0.000 2.063 588 K HA -0.172 4.149 4.320 0.001 0.000 0.208 588 K C 2.137 178.716 176.600 -0.035 0.000 1.048 588 K CA 1.015 57.308 56.287 0.010 0.000 0.928 588 K CB -0.122 32.353 32.500 -0.042 0.000 0.713 588 K HN 0.179 nan 8.250 nan 0.000 0.442 589 K N 0.949 121.285 120.400 -0.108 0.000 2.059 589 K HA -0.183 4.137 4.320 0.001 0.000 0.212 589 K C 2.070 178.536 176.600 -0.222 0.000 1.050 589 K CA 1.586 57.794 56.287 -0.132 0.000 0.927 589 K CB -0.490 31.993 32.500 -0.028 0.000 0.714 589 K HN 0.337 nan 8.250 nan 0.000 0.447 590 I N -2.128 118.209 120.570 -0.388 0.000 3.812 590 I HA 0.210 4.381 4.170 0.001 0.000 0.320 590 I C 1.854 178.069 176.117 0.164 0.000 1.276 590 I CA 0.219 61.382 61.300 -0.229 0.000 1.164 590 I CB -0.231 37.484 38.000 -0.475 0.000 1.009 590 I HN -0.143 nan 8.210 nan 0.000 0.431 591 A N 2.346 125.279 122.820 0.188 0.000 1.873 591 A HA -0.075 4.245 4.320 0.001 0.000 0.218 591 A C 0.370 178.048 177.584 0.157 0.000 1.193 591 A CA 1.998 54.167 52.037 0.220 0.000 0.629 591 A CB -2.050 17.068 19.000 0.197 0.000 0.826 591 A HN 0.368 nan 8.150 nan 0.000 0.447 592 P HA -0.202 nan 4.420 nan 0.000 0.216 592 P C 1.437 178.876 177.300 0.231 0.000 1.153 592 P CA 1.451 64.652 63.100 0.168 0.000 0.858 592 P CB -0.196 31.601 31.700 0.162 0.000 0.789 593 Y N 0.625 120.999 120.300 0.124 0.000 2.145 593 Y HA -0.209 4.342 4.550 0.001 0.000 0.286 593 Y C 2.183 178.201 175.900 0.197 0.000 1.145 593 Y CA 1.571 59.763 58.100 0.153 0.000 1.148 593 Y CB -0.955 37.584 38.460 0.131 0.000 0.981 593 Y HN -0.175 nan 8.280 nan 0.000 0.507 594 V N -0.337 119.699 119.914 0.203 0.000 2.358 594 V HA -0.141 3.979 4.120 0.001 0.000 0.246 594 V C 2.320 178.447 176.094 0.054 0.000 1.047 594 V CA 1.817 64.188 62.300 0.119 0.000 1.035 594 V CB -1.630 30.129 31.823 -0.106 0.000 0.658 594 V HN 0.424 nan 8.190 nan 0.000 0.452 595 A N 0.159 122.984 122.820 0.009 0.000 1.881 595 A HA -0.360 3.960 4.320 0.001 0.000 0.219 595 A C 2.045 179.548 177.584 -0.136 0.000 1.215 595 A CA 2.817 54.812 52.037 -0.071 0.000 0.648 595 A CB -1.434 17.497 19.000 -0.115 0.000 0.832 595 A HN 0.835 nan 8.150 nan 0.000 0.455 596 H N -1.487 117.524 119.070 -0.099 0.000 2.428 596 H HA 0.030 4.586 4.556 0.001 0.000 0.296 596 H C 1.667 176.854 175.328 -0.235 0.000 1.062 596 H CA 1.629 57.589 56.048 -0.147 0.000 1.350 596 H CB 0.027 29.703 29.762 -0.143 0.000 1.403 596 H HN 0.630 nan 8.280 nan 0.000 0.533 597 N N -1.118 117.435 118.700 -0.244 0.000 2.250 597 N HA 0.084 4.824 4.740 0.001 0.000 0.190 597 N C -0.532 174.591 175.510 -0.645 0.000 1.116 597 N CA 0.063 52.807 53.050 -0.509 0.000 0.881 597 N CB 0.764 38.710 38.487 -0.903 0.000 1.006 597 N HN 0.117 nan 8.380 nan 0.000 0.491 598 F N 0.033 119.862 119.950 -0.200 0.000 2.818 598 F HA 0.261 4.788 4.527 0.001 0.000 0.369 598 F C 1.193 176.942 175.800 -0.085 0.000 1.327 598 F CA -0.556 57.357 58.000 -0.145 0.000 1.211 598 F CB 0.326 39.206 39.000 -0.200 0.000 1.036 598 F HN -0.030 nan 8.300 nan 0.000 0.510 599 S N -0.887 114.825 115.700 0.020 0.000 2.419 599 S HA -0.188 4.283 4.470 0.001 0.000 0.233 599 S C 1.778 176.433 174.600 0.091 0.000 1.016 599 S CA 0.844 59.059 58.200 0.025 0.000 0.974 599 S CB -0.259 62.919 63.200 -0.038 0.000 0.786 599 S HN 0.469 nan 8.310 nan 0.000 0.492 600 K N 1.018 121.476 120.400 0.097 0.000 2.362 600 K HA 0.150 4.470 4.320 0.001 0.000 0.200 600 K C 0.290 177.037 176.600 0.244 0.000 1.046 600 K CA 0.189 56.572 56.287 0.160 0.000 0.952 600 K CB -0.509 32.051 32.500 0.100 0.000 0.753 600 K HN 0.401 nan 8.250 nan 0.000 0.466 601 L N 1.651 122.993 121.223 0.198 0.000 2.525 601 L HA -0.070 4.270 4.340 0.001 0.000 0.278 601 L C 1.435 178.344 176.870 0.064 0.000 1.218 601 L CA -0.289 54.631 54.840 0.133 0.000 0.878 601 L CB 0.059 42.176 42.059 0.096 0.000 1.127 601 L HN 0.028 nan 8.230 nan 0.000 0.492 602 F N 2.475 122.299 119.950 -0.210 0.000 2.069 602 F HA -0.191 4.336 4.527 0.001 0.000 0.298 602 F C 1.446 177.175 175.800 -0.120 0.000 1.113 602 F CA 1.503 59.261 58.000 -0.404 0.000 1.214 602 F CB 0.195 38.947 39.000 -0.413 0.000 0.978 602 F HN 0.666 nan 8.300 nan 0.000 0.474 603 S N -0.740 114.943 115.700 -0.030 0.000 2.843 603 S HA 0.453 4.924 4.470 0.001 0.000 0.301 603 S C -0.870 173.754 174.600 0.040 0.000 1.206 603 S CA -0.862 57.296 58.200 -0.070 0.000 0.875 603 S CB 1.565 64.725 63.200 -0.067 0.000 1.248 603 S HN 0.276 nan 8.310 nan 0.000 0.555 604 M N 1.843 121.443 119.600 0.001 0.000 2.150 604 M HA 0.360 4.840 4.480 0.001 0.000 0.255 604 M C -1.196 175.032 176.300 -0.120 0.000 0.963 604 M CA -0.029 55.214 55.300 -0.095 0.000 1.033 604 M CB 1.561 34.025 32.600 -0.227 0.000 2.007 604 M HN 0.976 nan 8.290 nan 0.000 0.462 605 E N 4.376 124.558 120.200 -0.028 0.000 2.406 605 E HA 0.006 4.357 4.350 0.001 0.000 0.258 605 E C -0.045 176.547 176.600 -0.013 0.000 1.043 605 E CA 0.620 57.019 56.400 -0.003 0.000 0.929 605 E CB 0.394 30.113 29.700 0.031 0.000 0.969 605 E HN 0.848 nan 8.360 nan 0.000 0.462 606 N N 3.670 122.367 118.700 -0.004 0.000 2.193 606 N HA 0.061 4.801 4.740 0.001 0.000 0.236 606 N C -0.847 174.819 175.510 0.261 0.000 1.347 606 N CA -0.569 52.532 53.050 0.084 0.000 0.812 606 N CB 0.309 38.705 38.487 -0.153 0.000 1.297 606 N HN 0.289 nan 8.380 nan 0.000 0.499 607 W N 0.746 122.020 121.300 -0.044 0.000 3.005 607 W HA 0.569 5.230 4.660 0.001 0.000 0.343 607 W C -0.006 176.511 176.519 -0.004 0.000 1.243 607 W CA 1.207 58.539 57.345 -0.021 0.000 1.186 607 W CB 1.170 30.605 29.460 -0.042 0.000 1.453 607 W HN 0.301 nan 8.180 nan 0.000 0.575 608 G N 1.204 109.850 108.800 -0.257 0.000 2.782 608 G HA2 0.412 4.373 3.960 0.001 0.000 0.228 608 G HA3 0.412 4.373 3.960 0.001 0.000 0.228 608 G C 0.566 175.391 174.900 -0.124 0.000 1.372 608 G CA 0.710 45.695 45.100 -0.191 0.000 0.862 608 G HN 2.302 nan 8.290 nan 0.000 0.547 609 G N -0.947 107.806 108.800 -0.078 0.000 2.566 609 G HA2 0.163 4.123 3.960 0.001 0.000 0.280 609 G HA3 0.163 4.123 3.960 0.001 0.000 0.280 609 G C 1.698 176.574 174.900 -0.040 0.000 1.225 609 G CA 2.446 47.531 45.100 -0.025 0.000 0.966 609 G HN 2.564 nan 8.290 nan 0.000 0.560 610 A N -0.853 121.960 122.820 -0.011 0.000 2.121 610 A HA 0.204 4.525 4.320 0.001 0.000 0.218 610 A C 2.640 180.190 177.584 -0.057 0.000 1.154 610 A CA 3.094 55.139 52.037 0.012 0.000 0.679 610 A CB -1.100 17.919 19.000 0.032 0.000 0.795 610 A HN 2.128 nan 8.150 nan 0.000 0.458 611 T N -3.103 111.383 114.554 -0.113 0.000 2.803 611 T HA -0.197 4.153 4.350 0.001 0.000 0.269 611 T C 1.637 176.190 174.700 -0.246 0.000 1.052 611 T CA 1.429 63.434 62.100 -0.157 0.000 1.136 611 T CB -0.551 68.216 68.868 -0.169 0.000 0.864 611 T HN 0.310 nan 8.240 nan 0.000 0.467 612 F N 3.696 123.405 119.950 -0.402 0.000 2.051 612 F HA -0.103 4.425 4.527 0.001 0.000 0.296 612 F C 2.411 177.971 175.800 -0.400 0.000 1.122 612 F CA 2.144 59.871 58.000 -0.456 0.000 1.201 612 F CB -0.195 38.546 39.000 -0.433 0.000 0.978 612 F HN 0.266 nan 8.300 nan 0.000 0.472 613 D N -0.471 119.781 120.400 -0.247 0.000 2.123 613 D HA -0.135 4.505 4.640 0.001 0.000 0.200 613 D C 2.268 178.307 176.300 -0.434 0.000 0.976 613 D CA 1.344 54.989 54.000 -0.591 0.000 0.831 613 D CB -1.198 38.963 40.800 -1.064 0.000 0.974 613 D HN 0.274 nan 8.370 nan 0.000 0.469 614 V N 1.842 121.607 119.914 -0.248 0.000 2.324 614 V HA -0.290 3.830 4.120 0.001 0.000 0.250 614 V C 2.966 178.917 176.094 -0.237 0.000 1.060 614 V CA 2.060 64.277 62.300 -0.139 0.000 1.042 614 V CB -1.041 30.770 31.823 -0.020 0.000 0.650 614 V HN 0.397 nan 8.190 nan 0.000 0.450 615 A N -0.769 121.869 122.820 -0.303 0.000 1.903 615 A HA -0.317 4.004 4.320 0.001 0.000 0.219 615 A C 2.219 179.502 177.584 -0.502 0.000 1.191 615 A CA 2.760 54.585 52.037 -0.354 0.000 0.638 615 A CB -0.457 18.312 19.000 -0.384 0.000 0.823 615 A HN 0.536 nan 8.150 nan 0.000 0.451 616 M N -2.344 116.872 119.600 -0.641 0.000 2.216 616 M HA 0.009 4.489 4.480 0.001 0.000 0.264 616 M C 2.460 178.361 176.300 -0.666 0.000 1.080 616 M CA 1.315 56.105 55.300 -0.850 0.000 1.153 616 M CB -0.254 31.876 32.600 -0.785 0.000 1.356 616 M HN 0.427 nan 8.290 nan 0.000 0.432 617 R N 0.048 120.170 120.500 -0.629 0.000 2.081 617 R HA -0.124 4.217 4.340 0.001 0.000 0.235 617 R C 1.465 177.139 176.300 -1.043 0.000 1.131 617 R CA 1.837 57.474 56.100 -0.772 0.000 0.960 617 R CB 0.073 29.843 30.300 -0.883 0.000 0.856 617 R HN 0.318 nan 8.270 nan 0.000 0.436 618 F N -1.514 118.094 119.950 -0.569 0.000 2.619 618 F HA 0.156 4.684 4.527 0.001 0.000 0.281 618 F C 1.705 177.206 175.800 -0.497 0.000 1.065 618 F CA -0.259 57.434 58.000 -0.511 0.000 1.304 618 F CB 0.345 39.179 39.000 -0.277 0.000 1.059 618 F HN -0.122 nan 8.300 nan 0.000 0.648 619 L N -1.357 119.729 121.223 -0.230 0.000 2.529 619 L HA 0.098 4.439 4.340 0.001 0.000 0.223 619 L C -0.192 176.677 176.870 -0.002 0.000 1.113 619 L CA 0.122 54.938 54.840 -0.040 0.000 0.861 619 L CB -0.466 41.511 42.059 -0.137 0.000 1.012 619 L HN 0.153 nan 8.230 nan 0.000 0.461 620 Y N 1.086 121.324 120.300 -0.102 0.000 3.125 620 Y HA -0.285 4.266 4.550 0.001 0.000 0.200 620 Y C 0.493 176.462 175.900 0.115 0.000 1.373 620 Y CA 0.304 58.388 58.100 -0.027 0.000 1.180 620 Y CB -1.869 36.471 38.460 -0.198 0.000 1.381 620 Y HN 0.481 nan 8.280 nan 0.000 0.501 621 E N -1.567 118.559 120.200 -0.123 0.000 2.413 621 E HA 0.594 4.944 4.350 0.001 0.000 0.277 621 E C -1.206 175.223 176.600 -0.284 0.000 0.958 621 E CA -1.295 55.092 56.400 -0.022 0.000 0.779 621 E CB 1.819 31.499 29.700 -0.034 0.000 1.278 621 E HN 0.181 nan 8.360 nan 0.000 0.456 622 C N 3.095 122.425 119.300 0.050 0.000 2.499 622 C HA 0.327 4.788 4.460 0.001 0.000 0.386 622 C C -1.061 173.936 174.990 0.012 0.000 1.293 622 C CA -1.693 57.369 59.018 0.073 0.000 1.884 622 C CB 0.175 28.136 27.740 0.368 0.000 2.509 622 C HN 0.645 nan 8.230 nan 0.000 0.566 623 P HA -0.052 nan 4.420 nan 0.000 0.223 623 P C 0.888 178.353 177.300 0.276 0.000 1.151 623 P CA 1.502 64.495 63.100 -0.177 0.000 0.787 623 P CB 0.042 31.159 31.700 -0.973 0.000 0.788 624 W N 0.674 122.168 121.300 0.324 0.000 2.409 624 W HA 0.057 4.717 4.660 0.001 0.000 0.299 624 W C 2.836 179.442 176.519 0.145 0.000 1.203 624 W CA 0.322 57.844 57.345 0.296 0.000 1.298 624 W CB -1.187 28.413 29.460 0.233 0.000 1.127 624 W HN -0.128 nan 8.180 nan 0.000 0.528 625 R N 1.561 122.279 120.500 0.364 0.000 2.105 625 R HA -0.200 4.140 4.340 0.001 0.000 0.239 625 R C 2.202 178.606 176.300 0.174 0.000 1.135 625 R CA 2.076 58.313 56.100 0.228 0.000 0.967 625 R CB -0.514 29.910 30.300 0.205 0.000 0.861 625 R HN 0.202 nan 8.270 nan 0.000 0.442 626 R N -0.286 120.326 120.500 0.186 0.000 2.066 626 R HA -0.107 4.234 4.340 0.001 0.000 0.232 626 R C 2.040 178.423 176.300 0.139 0.000 1.131 626 R CA 1.618 57.818 56.100 0.167 0.000 0.955 626 R CB -0.697 29.716 30.300 0.190 0.000 0.851 626 R HN 0.308 nan 8.270 nan 0.000 0.432 627 L N 1.375 122.638 121.223 0.067 0.000 2.012 627 L HA -0.187 4.153 4.340 0.001 0.000 0.210 627 L C 2.089 178.961 176.870 0.005 0.000 1.073 627 L CA 1.919 56.662 54.840 -0.161 0.000 0.748 627 L CB -0.823 40.784 42.059 -0.753 0.000 0.891 627 L HN 0.361 nan 8.230 nan 0.000 0.431 628 Q N -0.552 119.267 119.800 0.032 0.000 2.030 628 Q HA -0.262 4.078 4.340 0.001 0.000 0.204 628 Q C 2.215 178.253 176.000 0.063 0.000 0.986 628 Q CA 2.259 58.088 55.803 0.043 0.000 0.843 628 Q CB -0.270 28.512 28.738 0.074 0.000 0.904 628 Q HN 0.618 nan 8.270 nan 0.000 0.420 629 E N 0.426 120.679 120.200 0.088 0.000 2.077 629 E HA -0.173 4.177 4.350 0.001 0.000 0.193 629 E C 1.995 178.664 176.600 0.116 0.000 0.989 629 E CA 0.878 57.331 56.400 0.088 0.000 0.800 629 E CB -0.058 29.694 29.700 0.087 0.000 0.746 629 E HN 0.283 nan 8.360 nan 0.000 0.452 630 L N 0.442 121.766 121.223 0.168 0.000 2.131 630 L HA -0.161 4.179 4.340 0.001 0.000 0.210 630 L C 2.538 179.626 176.870 0.362 0.000 1.092 630 L CA 0.608 55.601 54.840 0.254 0.000 0.759 630 L CB -0.216 41.977 42.059 0.225 0.000 0.903 630 L HN 0.029 nan 8.230 nan 0.000 0.435 631 R N 0.679 121.322 120.500 0.239 0.000 2.092 631 R HA -0.158 4.183 4.340 0.001 0.000 0.231 631 R C 2.009 178.273 176.300 -0.061 0.000 1.119 631 R CA 1.437 57.502 56.100 -0.057 0.000 0.970 631 R CB -0.430 29.753 30.300 -0.195 0.000 0.864 631 R HN 0.317 nan 8.270 nan 0.000 0.440 632 E N -0.306 119.893 120.200 -0.002 0.000 2.338 632 E HA -0.099 4.251 4.350 0.001 0.000 0.197 632 E C 1.464 178.071 176.600 0.011 0.000 1.007 632 E CA 0.712 57.106 56.400 -0.009 0.000 0.849 632 E CB 0.107 29.811 29.700 0.006 0.000 0.774 632 E HN 0.353 nan 8.360 nan 0.000 0.506 633 L N 0.311 121.567 121.223 0.054 0.000 2.298 633 L HA 0.103 4.444 4.340 0.001 0.000 0.209 633 L C 0.788 177.691 176.870 0.056 0.000 1.084 633 L CA 0.184 55.063 54.840 0.065 0.000 0.816 633 L CB 0.457 42.575 42.059 0.098 0.000 0.967 633 L HN 0.050 nan 8.230 nan 0.000 0.460 634 I N 1.359 121.984 120.570 0.092 0.000 2.503 634 I HA 0.190 4.361 4.170 0.001 0.000 0.277 634 I C -1.773 174.310 176.117 -0.058 0.000 1.078 634 I CA -1.457 59.887 61.300 0.074 0.000 1.184 634 I CB 0.585 38.759 38.000 0.289 0.000 1.353 634 I HN -0.100 nan 8.210 nan 0.000 0.490 635 P HA -0.050 nan 4.420 nan 0.000 0.231 635 P C 0.741 177.951 177.300 -0.150 0.000 1.168 635 P CA 1.176 64.190 63.100 -0.143 0.000 0.779 635 P CB 0.371 32.002 31.700 -0.114 0.000 0.844 636 N N -0.016 118.616 118.700 -0.113 0.000 2.463 636 N HA 0.043 4.784 4.740 0.001 0.000 0.183 636 N C 0.620 176.096 175.510 -0.055 0.000 1.064 636 N CA 0.080 53.074 53.050 -0.093 0.000 0.879 636 N CB -0.575 37.855 38.487 -0.095 0.000 1.148 636 N HN 0.140 nan 8.380 nan 0.000 0.451 637 I N 2.009 122.568 120.570 -0.019 0.000 2.396 637 I HA 0.324 4.494 4.170 0.001 0.000 0.292 637 I C -2.346 173.783 176.117 0.021 0.000 0.999 637 I CA -2.296 59.025 61.300 0.035 0.000 1.310 637 I CB 1.332 39.369 38.000 0.061 0.000 1.404 637 I HN -0.195 nan 8.210 nan 0.000 0.496 638 P HA 0.077 nan 4.420 nan 0.000 0.268 638 P C -0.819 176.559 177.300 0.130 0.000 1.205 638 P CA 0.067 63.099 63.100 -0.114 0.000 0.771 638 P CB 0.285 31.784 31.700 -0.335 0.000 0.858 639 F N 1.849 121.678 119.950 -0.201 0.000 2.379 639 F HA 0.460 4.987 4.527 0.001 0.000 0.332 639 F C 0.891 176.599 175.800 -0.154 0.000 1.096 639 F CA -0.390 57.508 58.000 -0.170 0.000 1.105 639 F CB 0.790 39.678 39.000 -0.187 0.000 1.189 639 F HN 0.260 nan 8.300 nan 0.000 0.515 640 Q N 3.455 123.286 119.800 0.052 0.000 2.372 640 Q HA 0.661 5.002 4.340 0.001 0.000 0.273 640 Q C -1.204 174.808 176.000 0.020 0.000 1.078 640 Q CA -0.893 54.926 55.803 0.027 0.000 0.806 640 Q CB 2.748 31.547 28.738 0.101 0.000 1.332 640 Q HN 0.772 nan 8.270 nan 0.000 0.435 641 M N 1.628 121.216 119.600 -0.019 0.000 2.716 641 M HA 0.606 5.086 4.480 0.001 0.000 0.307 641 M C -1.833 174.492 176.300 0.042 0.000 1.223 641 M CA -1.117 54.207 55.300 0.041 0.000 0.871 641 M CB 1.702 34.356 32.600 0.089 0.000 1.739 641 M HN 0.541 nan 8.290 nan 0.000 0.475 642 L N 2.687 123.944 121.223 0.057 0.000 2.265 642 L HA 0.639 4.979 4.340 0.001 0.000 0.289 642 L C -1.840 175.097 176.870 0.112 0.000 1.033 642 L CA -0.492 54.401 54.840 0.087 0.000 0.814 642 L CB 1.364 43.455 42.059 0.053 0.000 1.203 642 L HN 0.816 nan 8.230 nan 0.000 0.423 643 L N 5.316 126.629 121.223 0.149 0.000 2.298 643 L HA 0.522 4.862 4.340 0.001 0.000 0.284 643 L C 0.062 176.889 176.870 -0.071 0.000 1.013 643 L CA -0.226 54.648 54.840 0.058 0.000 0.824 643 L CB 1.166 43.316 42.059 0.151 0.000 1.221 643 L HN 0.554 nan 8.230 nan 0.000 0.418 644 R N 4.528 124.887 120.500 -0.235 0.000 4.576 644 R HA 0.320 4.660 4.340 0.001 0.000 0.185 644 R C 1.281 177.316 176.300 -0.442 0.000 1.837 644 R CA 0.533 56.277 56.100 -0.592 0.000 1.520 644 R CB -0.587 29.478 30.300 -0.392 0.000 1.403 644 R HN 0.994 nan 8.270 nan 0.000 0.831 645 G N 1.564 110.152 108.800 -0.353 0.000 2.698 645 G HA2 -0.501 3.460 3.960 0.001 0.000 0.346 645 G HA3 -0.501 3.460 3.960 0.001 0.000 0.346 645 G C 1.167 175.971 174.900 -0.160 0.000 1.287 645 G CA 0.742 45.715 45.100 -0.211 0.000 0.990 645 G HN 0.529 nan 8.290 nan 0.000 0.545 646 A N 0.451 123.206 122.820 -0.108 0.000 1.902 646 A HA -0.058 4.262 4.320 0.001 0.000 0.217 646 A C 1.999 179.570 177.584 -0.022 0.000 1.181 646 A CA 2.366 54.372 52.037 -0.051 0.000 0.623 646 A CB -0.848 18.148 19.000 -0.007 0.000 0.818 646 A HN 1.135 nan 8.150 nan 0.000 0.443 647 N N 0.285 118.946 118.700 -0.065 0.000 2.626 647 N HA 0.262 5.003 4.740 0.001 0.000 0.193 647 N C 1.029 176.514 175.510 -0.042 0.000 1.213 647 N CA 1.024 54.052 53.050 -0.036 0.000 0.914 647 N CB -0.360 38.079 38.487 -0.080 0.000 0.994 647 N HN 0.684 nan 8.380 nan 0.000 0.447 648 A N 0.027 122.756 122.820 -0.151 0.000 4.989 648 A HA -0.355 3.965 4.320 0.001 0.000 0.363 648 A C 1.287 178.580 177.584 -0.486 0.000 1.592 648 A CA 2.354 54.170 52.037 -0.367 0.000 0.704 648 A CB -1.487 17.178 19.000 -0.559 0.000 1.532 648 A HN 0.382 nan 8.150 nan 0.000 0.440 649 V N -0.737 118.803 119.914 -0.624 0.000 3.337 649 V HA 0.536 4.656 4.120 0.001 0.000 0.307 649 V C 1.037 176.868 176.094 -0.438 0.000 1.505 649 V CA 1.204 63.148 62.300 -0.593 0.000 1.072 649 V CB 0.060 31.293 31.823 -0.983 0.000 0.929 649 V HN 1.455 nan 8.190 nan 0.000 0.455 650 G N -0.615 107.961 108.800 -0.374 0.000 3.019 650 G HA2 0.324 4.285 3.960 0.001 0.000 0.152 650 G HA3 0.324 4.285 3.960 0.001 0.000 0.152 650 G C -0.241 174.242 174.900 -0.695 0.000 1.320 650 G CA -0.010 44.759 45.100 -0.553 0.000 1.013 650 G HN 0.248 nan 8.290 nan 0.000 0.593 651 Y N 0.189 120.487 120.300 -0.004 0.000 2.738 651 Y HA 0.383 4.933 4.550 0.001 0.000 0.249 651 Y C 0.457 176.317 175.900 -0.066 0.000 1.157 651 Y CA -0.303 57.791 58.100 -0.010 0.000 1.189 651 Y CB 0.619 39.101 38.460 0.036 0.000 1.262 651 Y HN 0.492 nan 8.280 nan 0.000 0.554 652 T N -3.070 111.420 114.554 -0.107 0.000 2.762 652 T HA 0.304 4.654 4.350 0.001 0.000 0.301 652 T C -0.950 173.572 174.700 -0.296 0.000 1.299 652 T CA -1.231 60.783 62.100 -0.143 0.000 1.005 652 T CB 1.142 69.941 68.868 -0.115 0.000 1.377 652 T HN -0.174 nan 8.240 nan 0.000 0.504 653 N N 0.681 119.270 118.700 -0.185 0.000 2.468 653 N HA 0.348 5.089 4.740 0.001 0.000 0.265 653 N C -1.207 174.145 175.510 -0.264 0.000 1.199 653 N CA 0.092 53.047 53.050 -0.159 0.000 0.928 653 N CB -0.218 38.227 38.487 -0.069 0.000 1.059 653 N HN 0.481 nan 8.380 nan 0.000 0.467 654 Y N 1.663 121.911 120.300 -0.086 0.000 2.403 654 Y HA 0.371 4.921 4.550 0.001 0.000 0.323 654 Y C -1.635 174.238 175.900 -0.045 0.000 1.226 654 Y CA -2.281 55.771 58.100 -0.080 0.000 1.235 654 Y CB 0.708 39.101 38.460 -0.113 0.000 1.248 654 Y HN 0.458 nan 8.280 nan 0.000 0.489 655 P HA -0.053 nan 4.420 nan 0.000 0.261 655 P C 0.098 177.474 177.300 0.126 0.000 1.183 655 P CA 0.447 63.606 63.100 0.098 0.000 0.761 655 P CB 0.614 32.363 31.700 0.083 0.000 0.785 656 D N 3.078 123.554 120.400 0.128 0.000 2.370 656 D HA -0.282 4.359 4.640 0.001 0.000 0.190 656 D C 1.635 178.132 176.300 0.328 0.000 1.019 656 D CA 2.014 56.146 54.000 0.220 0.000 0.869 656 D CB -0.481 40.432 40.800 0.188 0.000 0.944 656 D HN 0.523 nan 8.370 nan 0.000 0.456 657 N N 0.744 119.557 118.700 0.188 0.000 2.104 657 N HA -0.162 4.579 4.740 0.001 0.000 0.190 657 N C 2.048 177.683 175.510 0.207 0.000 1.024 657 N CA 2.633 55.779 53.050 0.160 0.000 0.853 657 N CB -1.092 37.424 38.487 0.048 0.000 1.008 657 N HN 0.387 nan 8.380 nan 0.000 0.424 658 V N -1.140 118.861 119.914 0.146 0.000 2.626 658 V HA -0.078 4.042 4.120 0.001 0.000 0.252 658 V C 2.258 178.425 176.094 0.120 0.000 1.067 658 V CA 1.351 63.715 62.300 0.107 0.000 1.081 658 V CB -0.852 30.988 31.823 0.029 0.000 0.686 658 V HN 0.152 nan 8.190 nan 0.000 0.468 659 V N -0.376 119.604 119.914 0.109 0.000 2.379 659 V HA -0.115 4.005 4.120 0.001 0.000 0.245 659 V C 2.403 178.531 176.094 0.056 0.000 1.044 659 V CA 2.225 64.535 62.300 0.018 0.000 1.036 659 V CB -1.056 30.721 31.823 -0.077 0.000 0.664 659 V HN 0.479 nan 8.190 nan 0.000 0.453 660 F N 0.606 120.591 119.950 0.058 0.000 2.134 660 F HA -0.137 4.390 4.527 0.001 0.000 0.299 660 F C 2.456 178.299 175.800 0.073 0.000 1.097 660 F CA 1.923 59.950 58.000 0.045 0.000 1.264 660 F CB -0.340 38.671 39.000 0.018 0.000 1.001 660 F HN 0.016 nan 8.300 nan 0.000 0.479 661 K N -0.241 120.330 120.400 0.286 0.000 2.155 661 K HA -0.127 4.193 4.320 0.001 0.000 0.203 661 K C 1.879 178.609 176.600 0.216 0.000 1.052 661 K CA 0.828 57.231 56.287 0.193 0.000 0.948 661 K CB -0.652 31.931 32.500 0.138 0.000 0.728 661 K HN 0.173 nan 8.250 nan 0.000 0.448 662 F N 0.253 120.280 119.950 0.128 0.000 2.095 662 F HA -0.320 4.207 4.527 0.001 0.000 0.298 662 F C 1.889 177.863 175.800 0.291 0.000 1.104 662 F CA 1.642 59.764 58.000 0.203 0.000 1.232 662 F CB -0.378 38.668 39.000 0.076 0.000 0.987 662 F HN 0.041 nan 8.300 nan 0.000 0.475 663 C N 0.073 119.588 119.300 0.357 0.000 2.440 663 C HA -0.146 4.315 4.460 0.001 0.000 0.278 663 C C 2.673 177.763 174.990 0.168 0.000 1.295 663 C CA 1.153 60.336 59.018 0.275 0.000 1.738 663 C CB -1.261 26.436 27.740 -0.073 0.000 1.987 663 C HN 0.633 nan 8.230 nan 0.000 0.492 664 E N 1.507 121.775 120.200 0.113 0.000 2.038 664 E HA -0.206 4.144 4.350 0.001 0.000 0.195 664 E C 2.052 178.699 176.600 0.080 0.000 1.000 664 E CA 2.340 58.788 56.400 0.079 0.000 0.803 664 E CB 0.011 29.753 29.700 0.069 0.000 0.750 664 E HN 0.544 nan 8.360 nan 0.000 0.448 665 V N -1.191 118.764 119.914 0.069 0.000 2.667 665 V HA 0.039 4.160 4.120 0.001 0.000 0.252 665 V C 2.329 178.516 176.094 0.155 0.000 1.065 665 V CA 1.259 63.579 62.300 0.033 0.000 1.083 665 V CB -0.769 30.980 31.823 -0.122 0.000 0.692 665 V HN 0.362 nan 8.190 nan 0.000 0.468 666 A N 1.347 124.299 122.820 0.221 0.000 1.877 666 A HA -0.206 4.114 4.320 0.001 0.000 0.216 666 A C 2.284 179.935 177.584 0.111 0.000 1.186 666 A CA 2.386 54.517 52.037 0.158 0.000 0.620 666 A CB -0.634 18.451 19.000 0.142 0.000 0.822 666 A HN 0.580 nan 8.150 nan 0.000 0.443 667 K N 0.373 120.925 120.400 0.253 0.000 2.032 667 K HA -0.170 4.150 4.320 0.001 0.000 0.209 667 K C 1.751 178.381 176.600 0.051 0.000 1.048 667 K CA 2.113 58.519 56.287 0.197 0.000 0.927 667 K CB -0.431 32.184 32.500 0.191 0.000 0.712 667 K HN 0.571 nan 8.250 nan 0.000 0.441 668 E N -0.146 120.078 120.200 0.040 0.000 2.267 668 E HA -0.153 4.198 4.350 0.001 0.000 0.197 668 E C 1.376 177.961 176.600 -0.026 0.000 0.998 668 E CA 1.005 57.404 56.400 -0.002 0.000 0.830 668 E CB -0.113 29.584 29.700 -0.005 0.000 0.751 668 E HN 0.450 nan 8.360 nan 0.000 0.491 669 N N -1.166 117.519 118.700 -0.024 0.000 2.373 669 N HA 0.006 4.746 4.740 0.001 0.000 0.181 669 N C 0.911 176.341 175.510 -0.133 0.000 1.082 669 N CA 0.605 53.623 53.050 -0.054 0.000 0.885 669 N CB 1.135 39.622 38.487 0.001 0.000 0.977 669 N HN 0.202 nan 8.380 nan 0.000 0.462 670 G N 0.836 109.538 108.800 -0.164 0.000 2.321 670 G HA2 -0.136 3.824 3.960 0.001 0.000 0.174 670 G HA3 -0.136 3.824 3.960 0.001 0.000 0.174 670 G C -0.333 174.399 174.900 -0.280 0.000 1.008 670 G CA -0.575 44.361 45.100 -0.272 0.000 0.739 670 G HN 0.047 nan 8.290 nan 0.000 0.502 671 M N 2.282 121.773 119.600 -0.182 0.000 2.143 671 M HA 0.520 5.000 4.480 0.001 0.000 0.348 671 M C 0.790 177.045 176.300 -0.075 0.000 1.375 671 M CA -0.403 54.788 55.300 -0.182 0.000 1.124 671 M CB 0.569 32.989 32.600 -0.300 0.000 1.669 671 M HN 0.156 nan 8.290 nan 0.000 0.469 672 D N 2.355 122.692 120.400 -0.105 0.000 2.468 672 D HA 0.094 4.735 4.640 0.001 0.000 0.243 672 D C -0.313 176.016 176.300 0.048 0.000 0.994 672 D CA 0.656 54.613 54.000 -0.071 0.000 0.932 672 D CB 0.291 40.957 40.800 -0.223 0.000 1.078 672 D HN 0.397 nan 8.370 nan 0.000 0.473 673 V N 1.480 121.380 119.914 -0.024 0.000 2.347 673 V HA 0.302 4.422 4.120 0.001 0.000 0.280 673 V C -0.957 175.192 176.094 0.092 0.000 1.021 673 V CA -0.589 61.777 62.300 0.111 0.000 0.847 673 V CB 0.889 32.765 31.823 0.089 0.000 0.990 673 V HN 0.054 nan 8.190 nan 0.000 0.444 674 F N 4.184 124.206 119.950 0.120 0.000 2.313 674 F HA 0.466 4.993 4.527 0.001 0.000 0.369 674 F C 0.832 176.706 175.800 0.123 0.000 1.109 674 F CA -0.491 57.585 58.000 0.127 0.000 1.132 674 F CB 0.850 39.917 39.000 0.111 0.000 1.291 674 F HN 0.395 nan 8.300 nan 0.000 0.496 675 R N 3.347 123.977 120.500 0.216 0.000 2.296 675 R HA 0.427 4.768 4.340 0.001 0.000 0.323 675 R C -1.409 175.010 176.300 0.198 0.000 1.067 675 R CA -0.118 56.078 56.100 0.161 0.000 0.946 675 R CB 0.498 30.830 30.300 0.053 0.000 0.991 675 R HN 0.463 nan 8.270 nan 0.000 0.448 676 V N 7.445 127.470 119.914 0.185 0.000 2.378 676 V HA 0.426 4.546 4.120 0.001 0.000 0.288 676 V C -0.475 175.735 176.094 0.192 0.000 1.016 676 V CA -0.605 61.788 62.300 0.155 0.000 0.840 676 V CB 0.766 32.643 31.823 0.090 0.000 0.994 676 V HN 0.710 nan 8.190 nan 0.000 0.431 677 F N 1.866 121.826 119.950 0.017 0.000 2.654 677 F HA 0.849 5.376 4.527 0.001 0.000 0.334 677 F C -0.885 174.940 175.800 0.042 0.000 1.078 677 F CA -1.093 56.922 58.000 0.026 0.000 0.986 677 F CB 1.935 40.945 39.000 0.017 0.000 1.362 677 F HN 0.426 nan 8.300 nan 0.000 0.498 678 D N 0.401 120.826 120.400 0.042 0.000 2.936 678 D HA 0.178 4.818 4.640 0.001 0.000 0.238 678 D C 0.451 176.887 176.300 0.228 0.000 1.248 678 D CA 0.040 54.002 54.000 -0.063 0.000 0.903 678 D CB 2.517 43.341 40.800 0.040 0.000 1.544 678 D HN 0.772 nan 8.370 nan 0.000 0.543 679 S N 3.172 118.992 115.700 0.201 0.000 2.380 679 S HA -0.161 4.310 4.470 0.001 0.000 0.229 679 S C 1.207 175.947 174.600 0.233 0.000 1.043 679 S CA 0.777 59.162 58.200 0.308 0.000 1.038 679 S CB -0.401 62.936 63.200 0.228 0.000 0.872 679 S HN 0.491 nan 8.310 nan 0.000 0.456 680 L N 2.160 123.511 121.223 0.213 0.000 2.275 680 L HA 0.420 4.760 4.340 0.001 0.000 0.288 680 L C -0.240 176.798 176.870 0.279 0.000 1.046 680 L CA -0.726 54.252 54.840 0.230 0.000 0.805 680 L CB 0.242 42.417 42.059 0.193 0.000 1.193 680 L HN -0.042 nan 8.230 nan 0.000 0.426 681 N N 2.515 121.398 118.700 0.305 0.000 2.814 681 N HA -0.061 4.679 4.740 0.001 0.000 0.304 681 N C -0.926 174.754 175.510 0.284 0.000 1.211 681 N CA 0.301 53.522 53.050 0.284 0.000 1.158 681 N CB -0.459 38.213 38.487 0.307 0.000 1.458 681 N HN 0.419 nan 8.380 nan 0.000 0.519 682 Y N 1.632 121.999 120.300 0.113 0.000 2.587 682 Y HA 0.237 4.788 4.550 0.001 0.000 0.328 682 Y C 1.057 176.986 175.900 0.050 0.000 0.980 682 Y CA -0.753 57.396 58.100 0.082 0.000 1.272 682 Y CB 0.128 38.630 38.460 0.070 0.000 1.094 682 Y HN 0.237 nan 8.280 nan 0.000 0.503 683 L N 6.318 127.385 121.223 -0.259 0.000 2.010 683 L HA -0.250 4.090 4.340 0.001 0.000 0.219 683 L C -0.630 176.044 176.870 -0.328 0.000 1.077 683 L CA 1.864 56.557 54.840 -0.245 0.000 0.773 683 L CB -1.506 40.445 42.059 -0.180 0.000 0.892 683 L HN 0.486 nan 8.230 nan 0.000 0.436 684 P HA -0.163 nan 4.420 nan 0.000 0.215 684 P C 1.075 178.255 177.300 -0.200 0.000 1.157 684 P CA 1.458 64.331 63.100 -0.378 0.000 0.874 684 P CB -0.091 31.305 31.700 -0.506 0.000 0.790 685 N N -1.556 117.048 118.700 -0.160 0.000 2.289 685 N HA -0.095 4.645 4.740 0.001 0.000 0.184 685 N C 1.610 177.091 175.510 -0.048 0.000 1.016 685 N CA 1.177 54.226 53.050 -0.001 0.000 0.872 685 N CB -0.515 38.060 38.487 0.147 0.000 0.973 685 N HN 0.236 nan 8.380 nan 0.000 0.433 686 M N -0.314 119.245 119.600 -0.068 0.000 2.248 686 M HA 0.026 4.507 4.480 0.001 0.000 0.265 686 M C 1.894 178.153 176.300 -0.068 0.000 1.079 686 M CA 0.789 56.056 55.300 -0.055 0.000 1.150 686 M CB -0.333 32.248 32.600 -0.031 0.000 1.366 686 M HN 0.032 nan 8.290 nan 0.000 0.433 687 L N 0.319 121.495 121.223 -0.079 0.000 2.042 687 L HA -0.229 4.112 4.340 0.001 0.000 0.210 687 L C 2.603 179.430 176.870 -0.072 0.000 1.076 687 L CA 0.885 55.684 54.840 -0.068 0.000 0.749 687 L CB -1.046 40.975 42.059 -0.063 0.000 0.893 687 L HN 0.283 nan 8.230 nan 0.000 0.432 688 L N 0.765 121.942 121.223 -0.076 0.000 2.012 688 L HA -0.103 4.238 4.340 0.001 0.000 0.210 688 L C 2.412 179.147 176.870 -0.226 0.000 1.073 688 L CA 2.277 57.053 54.840 -0.106 0.000 0.748 688 L CB -1.138 40.884 42.059 -0.062 0.000 0.891 688 L HN 0.138 nan 8.230 nan 0.000 0.431 689 G N -0.880 107.818 108.800 -0.169 0.000 2.418 689 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 689 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 689 G C 1.547 176.344 174.900 -0.173 0.000 1.158 689 G CA 1.092 46.087 45.100 -0.175 0.000 0.771 689 G HN 0.438 nan 8.290 nan 0.000 0.545 690 M N 0.719 120.245 119.600 -0.123 0.000 2.175 690 M HA -0.020 4.460 4.480 0.001 0.000 0.264 690 M C 2.492 178.718 176.300 -0.124 0.000 1.063 690 M CA 1.815 57.057 55.300 -0.097 0.000 1.119 690 M CB -0.170 32.391 32.600 -0.065 0.000 1.377 690 M HN 0.530 nan 8.290 nan 0.000 0.415 691 E N 0.255 120.374 120.200 -0.135 0.000 2.435 691 E HA 0.052 4.403 4.350 0.001 0.000 0.195 691 E C 1.703 178.191 176.600 -0.187 0.000 1.029 691 E CA 0.733 57.090 56.400 -0.072 0.000 0.865 691 E CB -0.065 29.672 29.700 0.062 0.000 0.833 691 E HN 0.393 nan 8.360 nan 0.000 0.510 692 A N 1.737 124.245 122.820 -0.520 0.000 1.872 692 A HA 0.144 4.464 4.320 0.001 0.000 0.214 692 A C 2.492 179.864 177.584 -0.353 0.000 1.187 692 A CA 1.393 53.028 52.037 -0.671 0.000 0.614 692 A CB -0.739 17.828 19.000 -0.721 0.000 0.826 692 A HN 0.393 nan 8.150 nan 0.000 0.442 693 A N -0.440 122.143 122.820 -0.395 0.000 1.929 693 A HA 0.226 4.546 4.320 0.001 0.000 0.216 693 A C 2.363 179.745 177.584 -0.336 0.000 1.176 693 A CA 1.718 53.385 52.037 -0.618 0.000 0.628 693 A CB -1.354 17.292 19.000 -0.589 0.000 0.816 693 A HN 0.674 nan 8.150 nan 0.000 0.444 694 G N 0.407 109.111 108.800 -0.161 0.000 2.545 694 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 694 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 694 G C 1.874 176.761 174.900 -0.022 0.000 1.218 694 G CA 1.902 46.975 45.100 -0.045 0.000 0.787 694 G HN 0.997 nan 8.290 nan 0.000 0.571 695 S N 0.418 116.121 115.700 0.005 0.000 2.607 695 S HA 0.463 4.934 4.470 0.001 0.000 0.224 695 S C 1.999 176.613 174.600 0.022 0.000 0.969 695 S CA 1.004 59.232 58.200 0.047 0.000 0.927 695 S CB 0.206 63.479 63.200 0.121 0.000 0.772 695 S HN 0.616 nan 8.310 nan 0.000 0.533 696 A N 0.559 123.352 122.820 -0.045 0.000 2.195 696 A HA 0.625 4.945 4.320 0.001 0.000 0.210 696 A C 1.774 179.330 177.584 -0.047 0.000 1.165 696 A CA 0.479 52.481 52.037 -0.057 0.000 0.806 696 A CB -0.682 18.232 19.000 -0.143 0.000 0.847 696 A HN 1.430 nan 8.150 nan 0.000 0.482 697 G N -1.865 106.907 108.800 -0.045 0.000 2.195 697 G HA2 -0.032 3.929 3.960 0.001 0.000 0.224 697 G HA3 -0.032 3.929 3.960 0.001 0.000 0.224 697 G C 0.769 175.667 174.900 -0.003 0.000 0.990 697 G CA 0.203 45.297 45.100 -0.011 0.000 0.639 697 G HN 1.335 nan 8.290 nan 0.000 0.514 698 G N -0.549 108.243 108.800 -0.014 0.000 2.599 698 G HA2 0.564 4.525 3.960 0.001 0.000 0.264 698 G HA3 0.564 4.525 3.960 0.001 0.000 0.264 698 G C 0.380 175.344 174.900 0.107 0.000 1.200 698 G CA 0.167 45.328 45.100 0.102 0.000 0.896 698 G HN 0.931 nan 8.290 nan 0.000 0.536 699 V N 0.561 120.544 119.914 0.116 0.000 2.485 699 V HA 0.057 4.177 4.120 0.001 0.000 0.287 699 V C 0.498 176.804 176.094 0.353 0.000 1.022 699 V CA -0.208 62.180 62.300 0.146 0.000 1.067 699 V CB 0.957 32.831 31.823 0.084 0.000 0.967 699 V HN 0.383 nan 8.190 nan 0.000 0.479 700 V N 5.495 125.723 119.914 0.524 0.000 2.432 700 V HA 0.255 4.376 4.120 0.001 0.000 0.271 700 V C 0.415 176.682 176.094 0.288 0.000 1.046 700 V CA -0.184 62.310 62.300 0.324 0.000 0.945 700 V CB 1.224 33.134 31.823 0.146 0.000 0.992 700 V HN 0.965 nan 8.190 nan 0.000 0.471 701 E N 4.141 124.486 120.200 0.242 0.000 2.489 701 E HA 0.562 4.912 4.350 0.001 0.000 0.232 701 E C -0.120 176.553 176.600 0.121 0.000 0.990 701 E CA -0.608 55.908 56.400 0.194 0.000 0.768 701 E CB 1.070 30.913 29.700 0.238 0.000 1.270 701 E HN 0.847 nan 8.360 nan 0.000 0.423 702 A N 2.838 125.701 122.820 0.073 0.000 2.488 702 A HA 0.505 4.826 4.320 0.001 0.000 0.249 702 A C -0.008 177.607 177.584 0.051 0.000 1.083 702 A CA 0.311 52.379 52.037 0.051 0.000 0.768 702 A CB 0.498 19.503 19.000 0.008 0.000 1.017 702 A HN 0.570 nan 8.150 nan 0.000 0.496 703 A N 4.020 126.891 122.820 0.086 0.000 2.340 703 A HA 0.576 4.896 4.320 0.001 0.000 0.297 703 A C -0.111 177.546 177.584 0.122 0.000 1.195 703 A CA -0.594 51.489 52.037 0.077 0.000 0.769 703 A CB 0.320 19.351 19.000 0.052 0.000 1.163 703 A HN 0.695 nan 8.150 nan 0.000 0.472 704 I N 2.518 123.150 120.570 0.104 0.000 2.598 704 I HA 0.070 4.240 4.170 0.001 0.000 0.284 704 I C 0.565 176.792 176.117 0.184 0.000 1.140 704 I CA 0.456 61.857 61.300 0.168 0.000 1.420 704 I CB 0.413 38.528 38.000 0.192 0.000 1.387 704 I HN 0.539 nan 8.210 nan 0.000 0.553 705 S N 6.591 122.429 115.700 0.230 0.000 2.565 705 S HA 0.317 4.788 4.470 0.001 0.000 0.274 705 S C -0.534 174.240 174.600 0.290 0.000 1.309 705 S CA -0.368 57.946 58.200 0.190 0.000 1.043 705 S CB 0.948 64.249 63.200 0.168 0.000 0.939 705 S HN 0.483 nan 8.310 nan 0.000 0.504 706 Y N 1.733 122.071 120.300 0.062 0.000 2.335 706 Y HA 0.542 5.093 4.550 0.001 0.000 0.338 706 Y C -0.210 175.693 175.900 0.005 0.000 0.977 706 Y CA -0.114 58.009 58.100 0.037 0.000 1.114 706 Y CB 1.279 39.670 38.460 -0.115 0.000 1.182 706 Y HN 0.641 nan 8.280 nan 0.000 0.463 707 T N 4.122 118.333 114.554 -0.571 0.000 2.883 707 T HA 0.696 5.046 4.350 0.001 0.000 0.301 707 T C -0.235 174.112 174.700 -0.589 0.000 1.158 707 T CA -0.030 61.743 62.100 -0.545 0.000 1.007 707 T CB 1.454 70.006 68.868 -0.525 0.000 1.186 707 T HN 1.264 nan 8.240 nan 0.000 0.499 708 G N 1.771 110.395 108.800 -0.295 0.000 2.584 708 G HA2 -0.009 3.952 3.960 0.001 0.000 0.229 708 G HA3 -0.009 3.952 3.960 0.001 0.000 0.229 708 G C -1.315 173.545 174.900 -0.068 0.000 1.320 708 G CA 0.045 45.078 45.100 -0.111 0.000 0.891 708 G HN 0.867 nan 8.290 nan 0.000 0.573 709 D N -1.040 119.381 120.400 0.034 0.000 2.542 709 D HA 0.545 5.186 4.640 0.001 0.000 0.252 709 D C 1.126 177.514 176.300 0.146 0.000 1.222 709 D CA -0.039 54.029 54.000 0.113 0.000 0.895 709 D CB 1.549 42.393 40.800 0.073 0.000 1.207 709 D HN 0.417 nan 8.370 nan 0.000 0.558 710 V N 3.364 123.419 119.914 0.235 0.000 2.626 710 V HA -0.111 4.009 4.120 0.001 0.000 0.252 710 V C 2.170 178.356 176.094 0.153 0.000 1.067 710 V CA 2.133 64.577 62.300 0.240 0.000 1.081 710 V CB -0.266 31.748 31.823 0.318 0.000 0.686 710 V HN 0.702 nan 8.190 nan 0.000 0.468 711 A N -0.956 121.937 122.820 0.120 0.000 2.119 711 A HA -0.078 4.242 4.320 0.001 0.000 0.217 711 A C 1.269 178.885 177.584 0.053 0.000 1.153 711 A CA 0.751 52.831 52.037 0.071 0.000 0.692 711 A CB -0.205 18.823 19.000 0.047 0.000 0.799 711 A HN 0.502 nan 8.150 nan 0.000 0.458 712 D N -0.381 120.054 120.400 0.058 0.000 2.380 712 D HA 0.301 4.941 4.640 0.001 0.000 0.230 712 D C -1.830 174.498 176.300 0.046 0.000 1.154 712 D CA -2.024 52.000 54.000 0.039 0.000 0.859 712 D CB 1.348 42.165 40.800 0.029 0.000 1.045 712 D HN 0.013 nan 8.370 nan 0.000 0.495 713 P HA -0.138 nan 4.420 nan 0.000 0.217 713 P C 1.421 178.739 177.300 0.030 0.000 1.150 713 P CA 1.009 64.131 63.100 0.036 0.000 0.832 713 P CB 0.136 31.852 31.700 0.027 0.000 0.787 714 S N -0.778 114.936 115.700 0.023 0.000 2.399 714 S HA -0.099 4.372 4.470 0.001 0.000 0.231 714 S C 1.232 175.842 174.600 0.016 0.000 1.022 714 S CA 0.582 58.792 58.200 0.016 0.000 0.983 714 S CB -0.851 62.356 63.200 0.012 0.000 0.803 714 S HN 0.059 nan 8.310 nan 0.000 0.480 715 R N 2.533 123.048 120.500 0.025 0.000 2.325 715 R HA 0.170 4.510 4.340 0.001 0.000 0.323 715 R C 1.331 177.642 176.300 0.018 0.000 1.177 715 R CA 0.529 56.645 56.100 0.025 0.000 1.018 715 R CB 0.316 30.641 30.300 0.043 0.000 1.070 715 R HN 0.648 nan 8.270 nan 0.000 0.495 716 T N -1.025 113.523 114.554 -0.010 0.000 2.942 716 T HA -0.101 4.250 4.350 0.001 0.000 0.265 716 T C 1.738 176.382 174.700 -0.092 0.000 1.062 716 T CA 0.525 62.609 62.100 -0.028 0.000 1.139 716 T CB 0.144 68.995 68.868 -0.028 0.000 0.883 716 T HN 0.386 nan 8.240 nan 0.000 0.468 717 K N 0.339 120.641 120.400 -0.163 0.000 2.063 717 K HA -0.070 4.250 4.320 0.001 0.000 0.208 717 K C -0.136 175.999 176.600 -0.775 0.000 1.048 717 K CA 1.104 57.143 56.287 -0.412 0.000 0.928 717 K CB -0.090 32.130 32.500 -0.467 0.000 0.713 717 K HN 0.545 nan 8.250 nan 0.000 0.442 718 Y N 0.639 120.734 120.300 -0.342 0.000 2.638 718 Y HA 0.214 4.764 4.550 0.001 0.000 0.367 718 Y C -0.060 175.756 175.900 -0.139 0.000 1.001 718 Y CA -0.838 56.932 58.100 -0.550 0.000 1.133 718 Y CB 1.073 39.221 38.460 -0.520 0.000 1.199 718 Y HN -0.045 nan 8.280 nan 0.000 0.642 719 S N 0.414 116.141 115.700 0.045 0.000 2.645 719 S HA 0.089 4.559 4.470 0.001 0.000 0.266 719 S C 1.286 176.080 174.600 0.325 0.000 1.258 719 S CA -0.570 57.734 58.200 0.173 0.000 0.990 719 S CB 0.814 64.075 63.200 0.102 0.000 0.967 719 S HN 0.689 nan 8.310 nan 0.000 0.556 720 L N 2.526 123.933 121.223 0.308 0.000 2.189 720 L HA -0.147 4.194 4.340 0.001 0.000 0.214 720 L C 2.378 179.394 176.870 0.243 0.000 1.097 720 L CA 1.999 57.025 54.840 0.310 0.000 0.764 720 L CB -0.852 41.324 42.059 0.195 0.000 0.900 720 L HN 0.844 nan 8.230 nan 0.000 0.436 721 Q N -2.266 117.636 119.800 0.171 0.000 2.083 721 Q HA -0.222 4.118 4.340 0.001 0.000 0.198 721 Q C 2.070 178.125 176.000 0.091 0.000 0.969 721 Q CA 1.774 57.645 55.803 0.114 0.000 0.838 721 Q CB -0.566 28.222 28.738 0.083 0.000 0.900 721 Q HN 0.639 nan 8.270 nan 0.000 0.436 722 Y N 0.514 120.779 120.300 -0.059 0.000 2.053 722 Y HA -0.361 4.189 4.550 0.001 0.000 0.277 722 Y C 1.745 177.553 175.900 -0.154 0.000 1.159 722 Y CA 1.836 59.808 58.100 -0.214 0.000 1.125 722 Y CB -0.570 37.623 38.460 -0.444 0.000 0.969 722 Y HN 0.095 nan 8.280 nan 0.000 0.492 723 Y N -1.248 119.050 120.300 -0.002 0.000 2.224 723 Y HA -0.264 4.286 4.550 0.001 0.000 0.289 723 Y C 2.560 178.434 175.900 -0.043 0.000 1.146 723 Y CA 1.319 59.384 58.100 -0.058 0.000 1.182 723 Y CB -0.446 38.111 38.460 0.160 0.000 0.983 723 Y HN 0.230 nan 8.280 nan 0.000 0.524 724 M N -0.042 119.658 119.600 0.166 0.000 2.132 724 M HA -0.075 4.406 4.480 0.001 0.000 0.263 724 M C 2.356 178.710 176.300 0.090 0.000 1.065 724 M CA 1.776 57.163 55.300 0.146 0.000 1.122 724 M CB -0.970 31.707 32.600 0.128 0.000 1.365 724 M HN 0.231 nan 8.290 nan 0.000 0.411 725 G N -0.774 108.029 108.800 0.004 0.000 2.443 725 G HA2 -0.162 3.799 3.960 0.001 0.000 0.219 725 G HA3 -0.162 3.799 3.960 0.001 0.000 0.219 725 G C 1.411 176.278 174.900 -0.055 0.000 1.131 725 G CA 0.721 45.808 45.100 -0.022 0.000 0.775 725 G HN 0.407 nan 8.290 nan 0.000 0.547 726 L N 0.918 122.059 121.223 -0.136 0.000 2.095 726 L HA 0.351 4.691 4.340 0.001 0.000 0.204 726 L C 3.083 179.927 176.870 -0.044 0.000 1.080 726 L CA 1.667 56.422 54.840 -0.141 0.000 0.759 726 L CB -0.681 41.212 42.059 -0.277 0.000 0.914 726 L HN 0.213 nan 8.230 nan 0.000 0.439 727 A N -0.610 122.213 122.820 0.005 0.000 1.865 727 A HA -0.236 4.084 4.320 0.001 0.000 0.217 727 A C 2.104 179.677 177.584 -0.018 0.000 1.191 727 A CA 1.850 53.872 52.037 -0.025 0.000 0.623 727 A CB -0.663 18.341 19.000 0.007 0.000 0.826 727 A HN 0.559 nan 8.150 nan 0.000 0.444 728 E N -0.379 119.923 120.200 0.170 0.000 2.130 728 E HA -0.219 4.131 4.350 0.001 0.000 0.196 728 E C 1.942 178.606 176.600 0.107 0.000 0.998 728 E CA 1.178 57.746 56.400 0.280 0.000 0.806 728 E CB -0.188 29.671 29.700 0.265 0.000 0.738 728 E HN 0.560 nan 8.360 nan 0.000 0.459 729 E N 0.809 121.031 120.200 0.037 0.000 2.031 729 E HA -0.153 4.197 4.350 0.001 0.000 0.193 729 E C 2.321 178.908 176.600 -0.021 0.000 0.994 729 E CA 0.824 57.225 56.400 0.001 0.000 0.800 729 E CB -0.284 29.401 29.700 -0.025 0.000 0.752 729 E HN 0.318 nan 8.360 nan 0.000 0.447 730 L N 0.427 121.623 121.223 -0.044 0.000 2.093 730 L HA -0.140 4.200 4.340 0.001 0.000 0.208 730 L C 2.563 179.380 176.870 -0.089 0.000 1.085 730 L CA 0.552 55.352 54.840 -0.066 0.000 0.755 730 L CB -0.430 41.587 42.059 -0.070 0.000 0.904 730 L HN -0.022 nan 8.230 nan 0.000 0.435 731 V N 0.085 119.926 119.914 -0.122 0.000 2.295 731 V HA -0.292 3.828 4.120 0.001 0.000 0.246 731 V C 2.692 178.769 176.094 -0.029 0.000 1.049 731 V CA 2.031 64.253 62.300 -0.129 0.000 1.024 731 V CB -0.620 31.058 31.823 -0.242 0.000 0.648 731 V HN 0.448 nan 8.190 nan 0.000 0.447 732 R N 1.338 121.845 120.500 0.013 0.000 2.091 732 R HA -0.147 4.193 4.340 0.001 0.000 0.238 732 R C 2.054 178.348 176.300 -0.010 0.000 1.136 732 R CA 2.035 58.146 56.100 0.019 0.000 0.959 732 R CB -0.829 29.488 30.300 0.028 0.000 0.856 732 R HN 0.438 nan 8.270 nan 0.000 0.437 733 A N -0.696 122.107 122.820 -0.028 0.000 2.067 733 A HA 0.192 4.512 4.320 0.001 0.000 0.219 733 A C 1.224 178.773 177.584 -0.058 0.000 1.158 733 A CA 0.950 52.963 52.037 -0.040 0.000 0.661 733 A CB -0.610 18.361 19.000 -0.047 0.000 0.801 733 A HN 0.724 nan 8.150 nan 0.000 0.452 734 G N -0.815 107.940 108.800 -0.075 0.000 2.842 734 G HA2 -0.053 3.907 3.960 0.001 0.000 0.242 734 G HA3 -0.053 3.907 3.960 0.001 0.000 0.242 734 G C 0.065 174.849 174.900 -0.194 0.000 1.135 734 G CA 0.272 45.305 45.100 -0.111 0.000 1.048 734 G HN 0.856 nan 8.290 nan 0.000 0.530 735 T N -0.791 113.660 114.554 -0.171 0.000 2.882 735 T HA 0.536 4.886 4.350 0.001 0.000 0.287 735 T C 1.639 176.208 174.700 -0.218 0.000 1.014 735 T CA -0.009 61.983 62.100 -0.179 0.000 1.049 735 T CB 0.554 69.367 68.868 -0.091 0.000 1.001 735 T HN 0.355 nan 8.240 nan 0.000 0.525 736 H N 2.267 121.374 119.070 0.063 0.000 2.300 736 H HA 0.272 4.828 4.556 0.001 0.000 0.312 736 H C 0.722 176.100 175.328 0.084 0.000 1.057 736 H CA 0.624 56.727 56.048 0.093 0.000 1.380 736 H CB 0.162 30.019 29.762 0.159 0.000 1.424 736 H HN 0.389 nan 8.280 nan 0.000 0.534 737 I N 1.655 122.379 120.570 0.256 0.000 2.577 737 I HA 0.175 4.345 4.170 0.001 0.000 0.305 737 I C 0.004 176.166 176.117 0.074 0.000 0.986 737 I CA -0.940 60.456 61.300 0.161 0.000 1.189 737 I CB 1.889 40.045 38.000 0.261 0.000 1.355 737 I HN -0.011 nan 8.210 nan 0.000 0.476 738 L N 5.365 126.592 121.223 0.007 0.000 2.322 738 L HA 0.551 4.891 4.340 0.001 0.000 0.281 738 L C -0.691 176.174 176.870 -0.009 0.000 1.014 738 L CA -0.045 54.777 54.840 -0.030 0.000 0.815 738 L CB 1.462 43.453 42.059 -0.113 0.000 1.247 738 L HN 0.821 nan 8.230 nan 0.000 0.421 739 C N 6.205 125.498 119.300 -0.011 0.000 2.493 739 C HA 0.752 5.212 4.460 0.001 0.000 0.326 739 C C -0.135 174.838 174.990 -0.028 0.000 1.200 739 C CA -0.755 58.242 59.018 -0.035 0.000 1.739 739 C CB 0.549 28.227 27.740 -0.103 0.000 2.300 739 C HN 0.758 nan 8.230 nan 0.000 0.500 743 M N 0.412 120.006 119.600 -0.010 0.000 2.492 743 M HA 0.290 4.770 4.480 0.001 0.000 0.262 743 M C 0.883 176.952 176.300 -0.385 0.000 1.090 743 M CA 1.193 56.365 55.300 -0.214 0.000 1.110 743 M CB -0.421 32.053 32.600 -0.210 0.000 1.407 743 M HN 0.234 nan 8.290 nan 0.000 0.470 744 A N 0.405 123.128 122.820 -0.161 0.000 2.390 744 A HA 0.546 4.867 4.320 0.001 0.000 0.232 744 A C 1.450 178.970 177.584 -0.108 0.000 1.233 744 A CA 0.430 52.386 52.037 -0.135 0.000 0.907 744 A CB -0.478 18.491 19.000 -0.051 0.000 0.967 744 A HN 0.836 nan 8.150 nan 0.000 0.512 745 G N -0.270 108.499 108.800 -0.050 0.000 2.289 745 G HA2 -0.197 3.763 3.960 0.001 0.000 0.280 745 G HA3 -0.197 3.763 3.960 0.001 0.000 0.280 745 G C 0.338 175.219 174.900 -0.031 0.000 1.089 745 G CA 0.399 45.474 45.100 -0.043 0.000 0.939 745 G HN 0.493 nan 8.290 nan 0.000 0.499 746 L N -1.188 120.091 121.223 0.093 0.000 2.667 746 L HA 0.401 4.741 4.340 0.001 0.000 0.232 746 L C 0.899 177.986 176.870 0.362 0.000 1.138 746 L CA -0.302 54.701 54.840 0.271 0.000 0.921 746 L CB 0.370 42.621 42.059 0.319 0.000 1.180 746 L HN 0.291 nan 8.230 nan 0.000 0.487 747 L N 1.275 122.575 121.223 0.129 0.000 2.265 747 L HA 0.330 4.671 4.340 0.001 0.000 0.289 747 L C -0.152 176.729 176.870 0.018 0.000 1.033 747 L CA 0.128 54.938 54.840 -0.050 0.000 0.814 747 L CB 0.729 42.600 42.059 -0.314 0.000 1.203 747 L HN -0.024 nan 8.230 nan 0.000 0.423 748 K N 5.485 125.909 120.400 0.039 0.000 2.166 748 K HA 0.479 4.799 4.320 0.001 0.000 0.245 748 K C -1.864 174.730 176.600 -0.010 0.000 0.967 748 K CA -1.670 54.634 56.287 0.029 0.000 0.863 748 K CB 1.022 33.532 32.500 0.016 0.000 1.107 748 K HN 0.231 nan 8.250 nan 0.000 0.436 749 P HA -0.337 nan 4.420 nan 0.000 0.216 749 P C 1.398 178.688 177.300 -0.016 0.000 1.167 749 P CA 2.290 65.380 63.100 -0.016 0.000 0.933 749 P CB -0.190 31.505 31.700 -0.009 0.000 0.793 750 T N -2.261 112.288 114.554 -0.008 0.000 2.635 750 T HA -0.237 4.114 4.350 0.001 0.000 0.267 750 T C 1.926 176.628 174.700 0.003 0.000 1.040 750 T CA 1.872 63.971 62.100 -0.002 0.000 1.156 750 T CB -1.527 67.343 68.868 0.002 0.000 0.863 750 T HN 0.106 nan 8.240 nan 0.000 0.430 751 A N 0.676 123.501 122.820 0.008 0.000 1.948 751 A HA -0.095 4.225 4.320 0.001 0.000 0.220 751 A C 2.836 180.403 177.584 -0.028 0.000 1.177 751 A CA 1.796 53.846 52.037 0.021 0.000 0.636 751 A CB -1.565 17.471 19.000 0.061 0.000 0.815 751 A HN 0.768 nan 8.150 nan 0.000 0.449 752 C N -1.514 117.750 119.300 -0.061 0.000 2.473 752 C HA -0.070 4.390 4.460 0.001 0.000 0.279 752 C C 2.999 177.963 174.990 -0.044 0.000 1.250 752 C CA 1.427 60.395 59.018 -0.084 0.000 1.713 752 C CB -1.547 26.142 27.740 -0.085 0.000 2.066 752 C HN 0.648 nan 8.230 nan 0.000 0.474 753 T N 1.104 115.643 114.554 -0.025 0.000 2.653 753 T HA -0.341 4.010 4.350 0.001 0.000 0.268 753 T C 1.794 176.495 174.700 0.001 0.000 1.035 753 T CA 2.214 64.308 62.100 -0.010 0.000 1.154 753 T CB -0.435 68.430 68.868 -0.005 0.000 0.862 753 T HN 0.587 nan 8.240 nan 0.000 0.441 754 M N -0.019 119.586 119.600 0.009 0.000 2.117 754 M HA -0.041 4.440 4.480 0.001 0.000 0.262 754 M C 2.141 178.462 176.300 0.034 0.000 1.065 754 M CA 1.531 56.847 55.300 0.027 0.000 1.114 754 M CB -0.110 32.514 32.600 0.041 0.000 1.361 754 M HN 0.278 nan 8.290 nan 0.000 0.408 755 L N -0.482 120.753 121.223 0.019 0.000 2.084 755 L HA -0.013 4.327 4.340 0.001 0.000 0.202 755 L C 2.194 179.075 176.870 0.019 0.000 1.074 755 L CA 1.355 56.209 54.840 0.024 0.000 0.757 755 L CB -0.733 41.313 42.059 -0.022 0.000 0.918 755 L HN 0.221 nan 8.230 nan 0.000 0.444 756 V N -0.517 119.392 119.914 -0.008 0.000 2.358 756 V HA -0.197 3.923 4.120 0.001 0.000 0.246 756 V C 2.676 178.783 176.094 0.022 0.000 1.047 756 V CA 2.237 64.537 62.300 0.001 0.000 1.035 756 V CB -0.617 31.192 31.823 -0.024 0.000 0.658 756 V HN 0.818 nan 8.190 nan 0.000 0.452 757 S N 0.931 116.640 115.700 0.016 0.000 2.383 757 S HA -0.237 4.233 4.470 0.001 0.000 0.229 757 S C 2.200 176.818 174.600 0.030 0.000 1.030 757 S CA 2.305 60.517 58.200 0.020 0.000 1.002 757 S CB -1.067 62.141 63.200 0.013 0.000 0.829 757 S HN 1.036 nan 8.310 nan 0.000 0.467 758 S N 1.505 117.229 115.700 0.040 0.000 2.395 758 S HA 0.161 4.631 4.470 0.001 0.000 0.225 758 S C 1.917 176.559 174.600 0.071 0.000 1.027 758 S CA 0.591 58.818 58.200 0.045 0.000 0.965 758 S CB -0.749 62.483 63.200 0.053 0.000 0.812 758 S HN 0.522 nan 8.310 nan 0.000 0.482 759 L N 0.850 122.139 121.223 0.109 0.000 2.141 759 L HA 0.079 4.419 4.340 0.001 0.000 0.209 759 L C 2.976 179.977 176.870 0.217 0.000 1.094 759 L CA 1.298 56.262 54.840 0.208 0.000 0.763 759 L CB -0.340 41.818 42.059 0.165 0.000 0.908 759 L HN 0.309 nan 8.230 nan 0.000 0.437 760 R N 0.009 120.578 120.500 0.114 0.000 2.115 760 R HA -0.146 4.195 4.340 0.001 0.000 0.230 760 R C 1.913 178.247 176.300 0.057 0.000 1.111 760 R CA 1.288 57.441 56.100 0.088 0.000 0.976 760 R CB -0.242 30.087 30.300 0.048 0.000 0.870 760 R HN 0.326 nan 8.270 nan 0.000 0.445 761 D N -0.418 119.996 120.400 0.023 0.000 2.077 761 D HA -0.145 4.496 4.640 0.001 0.000 0.196 761 D C 1.665 177.900 176.300 -0.108 0.000 0.986 761 D CA 1.024 55.007 54.000 -0.028 0.000 0.829 761 D CB 0.025 40.808 40.800 -0.028 0.000 0.983 761 D HN 0.016 nan 8.370 nan 0.000 0.453 762 R N -0.020 120.352 120.500 -0.214 0.000 2.189 762 R HA -0.045 4.296 4.340 0.001 0.000 0.223 762 R C -0.151 175.625 176.300 -0.874 0.000 1.092 762 R CA 0.676 56.429 56.100 -0.578 0.000 0.989 762 R CB -0.354 29.481 30.300 -0.776 0.000 0.876 762 R HN 0.052 nan 8.270 nan 0.000 0.457 763 F N 0.444 120.400 119.950 0.011 0.000 2.691 763 F HA 0.381 4.909 4.527 0.001 0.000 0.371 763 F C -1.590 174.215 175.800 0.009 0.000 1.159 763 F CA -2.397 55.610 58.000 0.011 0.000 1.174 763 F CB 1.931 40.939 39.000 0.012 0.000 1.419 763 F HN -0.102 nan 8.300 nan 0.000 0.514 764 P HA -0.173 nan 4.420 nan 0.000 0.212 764 P C -0.006 177.343 177.300 0.081 0.000 1.178 764 P CA 1.627 64.768 63.100 0.069 0.000 0.915 764 P CB 0.046 31.769 31.700 0.038 0.000 0.788 765 D N -0.468 119.984 120.400 0.087 0.000 2.590 765 D HA 0.413 5.054 4.640 0.001 0.000 0.280 765 D C -0.493 175.854 176.300 0.079 0.000 1.197 765 D CA -0.573 53.469 54.000 0.070 0.000 0.967 765 D CB -0.371 40.461 40.800 0.053 0.000 0.987 765 D HN -0.000 nan 8.370 nan 0.000 0.508 766 L N 0.633 121.906 121.223 0.083 0.000 2.381 766 L HA 0.607 4.947 4.340 0.001 0.000 0.274 766 L C -2.897 173.982 176.870 0.015 0.000 0.988 766 L CA -2.134 52.736 54.840 0.051 0.000 0.824 766 L CB 2.065 44.150 42.059 0.043 0.000 1.263 766 L HN -0.095 nan 8.230 nan 0.000 0.410 767 P HA 0.231 nan 4.420 nan 0.000 0.271 767 P C -1.219 176.047 177.300 -0.057 0.000 1.226 767 P CA 0.306 63.380 63.100 -0.044 0.000 0.765 767 P CB 0.405 32.077 31.700 -0.045 0.000 0.835 768 L N 3.821 124.998 121.223 -0.075 0.000 2.305 768 L HA 0.424 4.764 4.340 0.001 0.000 0.284 768 L C 0.320 177.139 176.870 -0.086 0.000 1.013 768 L CA -0.481 54.323 54.840 -0.059 0.000 0.819 768 L CB 1.111 43.150 42.059 -0.033 0.000 1.227 768 L HN 0.483 nan 8.230 nan 0.000 0.417 769 H N 3.634 122.593 119.070 -0.186 0.000 2.587 769 H HA 0.553 5.110 4.556 0.001 0.000 0.325 769 H C -1.130 174.116 175.328 -0.136 0.000 1.012 769 H CA -0.845 55.057 56.048 -0.242 0.000 1.213 769 H CB 1.337 30.912 29.762 -0.312 0.000 1.431 769 H HN 0.428 nan 8.280 nan 0.000 0.492 770 I N 4.195 124.845 120.570 0.133 0.000 2.441 770 I HA 0.158 4.329 4.170 0.001 0.000 0.295 770 I C -0.518 175.642 176.117 0.071 0.000 0.994 770 I CA -0.352 60.968 61.300 0.033 0.000 1.144 770 I CB 1.533 39.509 38.000 -0.040 0.000 1.314 770 I HN 0.653 nan 8.210 nan 0.000 0.445 771 H N 3.676 122.695 119.070 -0.084 0.000 2.609 771 H HA 0.726 5.282 4.556 0.001 0.000 0.344 771 H C -0.903 174.393 175.328 -0.054 0.000 1.040 771 H CA -0.202 55.799 56.048 -0.078 0.000 1.216 771 H CB 1.478 31.165 29.762 -0.125 0.000 1.529 771 H HN 0.609 nan 8.280 nan 0.000 0.519 772 T N 3.266 117.544 114.554 -0.460 0.000 2.864 772 T HA 0.371 4.721 4.350 0.001 0.000 0.289 772 T C -1.385 173.132 174.700 -0.306 0.000 1.082 772 T CA -0.604 61.327 62.100 -0.282 0.000 1.009 772 T CB 0.984 69.751 68.868 -0.168 0.000 1.234 772 T HN 0.733 nan 8.240 nan 0.000 0.526 773 H N 0.908 119.815 119.070 -0.272 0.000 2.679 773 H HA 0.295 4.851 4.556 0.001 0.000 0.367 773 H C -0.518 174.703 175.328 -0.179 0.000 1.162 773 H CA -0.591 55.326 56.048 -0.219 0.000 1.181 773 H CB 2.188 31.850 29.762 -0.167 0.000 1.693 773 H HN 0.586 nan 8.280 nan 0.000 0.538 774 D N 0.951 121.293 120.400 -0.097 0.000 2.325 774 D HA -0.061 4.579 4.640 0.001 0.000 0.225 774 D C 1.680 177.907 176.300 -0.122 0.000 1.096 774 D CA 0.215 54.151 54.000 -0.107 0.000 0.844 774 D CB 0.118 40.849 40.800 -0.116 0.000 0.925 774 D HN 0.582 nan 8.370 nan 0.000 0.513 775 T N -1.925 112.544 114.554 -0.142 0.000 3.051 775 T HA -0.121 4.229 4.350 0.001 0.000 0.269 775 T C 1.702 176.235 174.700 -0.279 0.000 1.127 775 T CA 1.717 63.673 62.100 -0.240 0.000 1.107 775 T CB -0.169 68.501 68.868 -0.331 0.000 0.898 775 T HN 0.118 nan 8.240 nan 0.000 0.517 776 S N -0.837 114.713 115.700 -0.251 0.000 2.535 776 S HA 0.419 4.890 4.470 0.001 0.000 0.214 776 S C 1.831 176.370 174.600 -0.103 0.000 0.980 776 S CA 0.639 58.677 58.200 -0.269 0.000 0.907 776 S CB -0.223 62.692 63.200 -0.476 0.000 0.790 776 S HN 1.083 nan 8.310 nan 0.000 0.510 777 G N 0.589 109.339 108.800 -0.083 0.000 2.157 777 G HA2 -0.119 3.842 3.960 0.001 0.000 0.248 777 G HA3 -0.119 3.842 3.960 0.001 0.000 0.248 777 G C 0.489 175.384 174.900 -0.009 0.000 0.979 777 G CA -0.162 44.914 45.100 -0.040 0.000 0.650 777 G HN 1.443 nan 8.290 nan 0.000 0.529 778 A N 0.001 122.821 122.820 0.000 0.000 2.594 778 A HA 0.715 5.036 4.320 0.001 0.000 0.287 778 A C 2.006 179.586 177.584 -0.007 0.000 1.227 778 A CA 1.177 53.228 52.037 0.024 0.000 0.952 778 A CB -0.143 18.912 19.000 0.092 0.000 1.161 778 A HN 1.381 nan 8.150 nan 0.000 0.524 779 G N 0.127 108.906 108.800 -0.036 0.000 2.453 779 G HA2 -0.111 3.850 3.960 0.001 0.000 0.215 779 G HA3 -0.111 3.850 3.960 0.001 0.000 0.215 779 G C 1.440 176.310 174.900 -0.050 0.000 1.201 779 G CA 1.471 46.536 45.100 -0.059 0.000 0.784 779 G HN 0.243 nan 8.290 nan 0.000 0.545 780 V N 1.775 121.667 119.914 -0.037 0.000 2.255 780 V HA -0.182 3.939 4.120 0.001 0.000 0.247 780 V C 3.388 179.470 176.094 -0.020 0.000 1.051 780 V CA 2.282 64.567 62.300 -0.026 0.000 1.018 780 V CB -1.048 30.768 31.823 -0.013 0.000 0.641 780 V HN 0.500 nan 8.190 nan 0.000 0.445 781 A N -0.043 122.769 122.820 -0.014 0.000 1.883 781 A HA -0.210 4.111 4.320 0.001 0.000 0.217 781 A C 2.441 180.014 177.584 -0.019 0.000 1.186 781 A CA 2.504 54.535 52.037 -0.010 0.000 0.624 781 A CB -0.996 18.003 19.000 -0.001 0.000 0.822 781 A HN 0.629 nan 8.150 nan 0.000 0.444 782 A N -1.179 121.626 122.820 -0.025 0.000 1.908 782 A HA -0.161 4.160 4.320 0.001 0.000 0.218 782 A C 2.133 179.685 177.584 -0.053 0.000 1.181 782 A CA 2.221 54.233 52.037 -0.042 0.000 0.627 782 A CB -0.483 18.485 19.000 -0.053 0.000 0.818 782 A HN 0.442 nan 8.150 nan 0.000 0.445 783 M N -0.410 119.160 119.600 -0.051 0.000 2.175 783 M HA 0.012 4.492 4.480 0.001 0.000 0.264 783 M C 2.073 178.353 176.300 -0.034 0.000 1.063 783 M CA 1.082 56.352 55.300 -0.049 0.000 1.119 783 M CB -1.579 30.992 32.600 -0.049 0.000 1.377 783 M HN 0.374 nan 8.290 nan 0.000 0.415 784 L N -0.310 120.899 121.223 -0.024 0.000 2.131 784 L HA -0.147 4.194 4.340 0.001 0.000 0.210 784 L C 2.699 179.559 176.870 -0.017 0.000 1.092 784 L CA 1.031 55.863 54.840 -0.015 0.000 0.759 784 L CB -1.073 40.982 42.059 -0.007 0.000 0.903 784 L HN 0.263 nan 8.230 nan 0.000 0.435 785 A N -0.436 122.371 122.820 -0.022 0.000 1.858 785 A HA -0.233 4.088 4.320 0.001 0.000 0.216 785 A C 2.446 180.013 177.584 -0.028 0.000 1.190 785 A CA 1.902 53.925 52.037 -0.023 0.000 0.617 785 A CB -1.248 17.736 19.000 -0.027 0.000 0.827 785 A HN 0.523 nan 8.150 nan 0.000 0.443 786 C N -0.833 118.444 119.300 -0.040 0.000 2.401 786 C HA -0.033 4.428 4.460 0.001 0.000 0.276 786 C C 3.296 178.267 174.990 -0.032 0.000 1.233 786 C CA 0.811 59.803 59.018 -0.043 0.000 1.753 786 C CB -1.564 26.142 27.740 -0.057 0.000 2.029 786 C HN 0.702 nan 8.230 nan 0.000 0.478 787 A N -0.047 122.756 122.820 -0.027 0.000 1.873 787 A HA -0.249 4.071 4.320 0.001 0.000 0.218 787 A C 2.200 179.776 177.584 -0.013 0.000 1.193 787 A CA 1.822 53.847 52.037 -0.019 0.000 0.629 787 A CB -0.659 18.334 19.000 -0.012 0.000 0.826 787 A HN 0.672 nan 8.150 nan 0.000 0.447 788 Q N -0.869 118.924 119.800 -0.011 0.000 2.084 788 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 788 Q C 2.205 178.201 176.000 -0.007 0.000 0.978 788 Q CA 1.509 57.308 55.803 -0.007 0.000 0.844 788 Q CB -0.542 28.192 28.738 -0.006 0.000 0.898 788 Q HN 0.661 nan 8.270 nan 0.000 0.426 789 A N -0.111 122.703 122.820 -0.009 0.000 2.239 789 A HA 0.255 4.576 4.320 0.001 0.000 0.209 789 A C 1.197 178.779 177.584 -0.004 0.000 1.171 789 A CA 0.939 52.972 52.037 -0.006 0.000 0.768 789 A CB -0.398 18.596 19.000 -0.009 0.000 0.790 789 A HN 0.436 nan 8.150 nan 0.000 0.478 790 G N -1.829 106.967 108.800 -0.007 0.000 2.203 790 G HA2 0.171 4.131 3.960 0.001 0.000 0.231 790 G HA3 0.171 4.131 3.960 0.001 0.000 0.231 790 G C 0.217 175.109 174.900 -0.013 0.000 1.058 790 G CA 0.163 45.260 45.100 -0.005 0.000 0.781 790 G HN 1.523 nan 8.290 nan 0.000 0.496 791 A N -0.705 122.100 122.820 -0.025 0.000 2.388 791 A HA 0.665 4.985 4.320 0.001 0.000 0.257 791 A C 0.932 178.479 177.584 -0.061 0.000 1.095 791 A CA 0.768 52.778 52.037 -0.046 0.000 0.791 791 A CB 0.515 19.483 19.000 -0.054 0.000 1.029 791 A HN 0.303 nan 8.150 nan 0.000 0.489 792 D N -0.039 120.301 120.400 -0.100 0.000 2.201 792 D HA 0.163 4.804 4.640 0.001 0.000 0.209 792 D C -0.005 176.164 176.300 -0.218 0.000 0.961 792 D CA 1.096 55.021 54.000 -0.124 0.000 0.861 792 D CB 0.218 40.938 40.800 -0.134 0.000 0.997 792 D HN 0.303 nan 8.370 nan 0.000 0.486 793 V N 0.993 120.694 119.914 -0.356 0.000 2.680 793 V HA 0.501 4.622 4.120 0.001 0.000 0.309 793 V C -0.373 175.550 176.094 -0.285 0.000 1.052 793 V CA -0.880 61.110 62.300 -0.516 0.000 0.908 793 V CB 2.455 33.493 31.823 -1.309 0.000 1.001 793 V HN -0.209 nan 8.190 nan 0.000 0.431 794 V N 2.140 121.951 119.914 -0.172 0.000 2.735 794 V HA 0.509 4.629 4.120 0.001 0.000 0.310 794 V C -1.038 175.069 176.094 0.022 0.000 1.061 794 V CA -0.671 61.607 62.300 -0.037 0.000 0.913 794 V CB 2.417 34.215 31.823 -0.041 0.000 1.005 794 V HN 0.895 nan 8.190 nan 0.000 0.428 795 D N 3.004 123.441 120.400 0.061 0.000 2.249 795 D HA 0.560 5.201 4.640 0.001 0.000 0.246 795 D C -0.219 176.065 176.300 -0.026 0.000 1.114 795 D CA 0.156 54.196 54.000 0.066 0.000 0.854 795 D CB 1.854 42.732 40.800 0.131 0.000 1.132 795 D HN 0.462 nan 8.370 nan 0.000 0.461 796 V N -1.297 118.612 119.914 -0.008 0.000 3.141 796 V HA 1.000 5.120 4.120 0.001 0.000 0.312 796 V C -0.636 175.438 176.094 -0.034 0.000 1.157 796 V CA -1.114 61.168 62.300 -0.029 0.000 1.041 796 V CB 1.684 33.514 31.823 0.011 0.000 1.071 796 V HN 0.574 nan 8.190 nan 0.000 0.441 797 A N 0.703 123.493 122.820 -0.051 0.000 2.479 797 A HA 1.003 5.324 4.320 0.001 0.000 0.296 797 A C 0.192 177.756 177.584 -0.033 0.000 1.121 797 A CA -0.509 51.485 52.037 -0.072 0.000 0.743 797 A CB 1.339 20.250 19.000 -0.148 0.000 1.323 797 A HN 2.467 nan 8.150 nan 0.000 0.415 798 A N 0.544 123.320 122.820 -0.073 0.000 2.555 798 A HA 0.276 4.596 4.320 0.001 0.000 0.233 798 A C 0.681 178.251 177.584 -0.024 0.000 1.060 798 A CA 0.646 52.661 52.037 -0.038 0.000 0.759 798 A CB -0.231 18.581 19.000 -0.315 0.000 0.995 798 A HN 0.793 nan 8.150 nan 0.000 0.506 799 D N 1.329 121.769 120.400 0.068 0.000 2.126 799 D HA -0.187 4.454 4.640 0.001 0.000 0.190 799 D C 2.253 178.560 176.300 0.011 0.000 1.001 799 D CA 2.404 56.438 54.000 0.056 0.000 0.841 799 D CB -0.452 40.411 40.800 0.106 0.000 0.949 799 D HN 0.721 nan 8.370 nan 0.000 0.446 800 S N -0.928 114.786 115.700 0.023 0.000 2.595 800 S HA -0.035 4.436 4.470 0.001 0.000 0.235 800 S C 1.319 175.903 174.600 -0.026 0.000 0.974 800 S CA 0.486 58.697 58.200 0.019 0.000 0.942 800 S CB 0.010 63.252 63.200 0.070 0.000 0.766 800 S HN 0.090 nan 8.310 nan 0.000 0.536 801 M N 1.894 121.438 119.600 -0.094 0.000 2.603 801 M HA 0.325 4.805 4.480 0.001 0.000 0.380 801 M C 0.278 176.491 176.300 -0.145 0.000 1.158 801 M CA -0.045 55.158 55.300 -0.162 0.000 0.921 801 M CB 0.131 32.523 32.600 -0.346 0.000 1.417 801 M HN 0.493 nan 8.290 nan 0.000 0.523 802 S N -1.006 114.635 115.700 -0.099 0.000 2.798 802 S HA 0.940 5.411 4.470 0.001 0.000 0.312 802 S C 0.528 175.077 174.600 -0.085 0.000 1.122 802 S CA 0.052 58.193 58.200 -0.098 0.000 0.949 802 S CB 1.919 65.077 63.200 -0.070 0.000 1.235 802 S HN 0.581 nan 8.310 nan 0.000 0.552 803 G N -0.112 108.635 108.800 -0.089 0.000 2.796 803 G HA2 -0.044 3.916 3.960 0.001 0.000 0.226 803 G HA3 -0.044 3.916 3.960 0.001 0.000 0.226 803 G C 0.254 175.093 174.900 -0.101 0.000 1.381 803 G CA -0.107 44.942 45.100 -0.084 0.000 0.867 803 G HN 1.582 nan 8.290 nan 0.000 0.552 804 M N -2.765 116.774 119.600 -0.103 0.000 7.319 804 M HA -0.332 4.149 4.480 0.001 0.000 0.312 804 M C 2.015 178.238 176.300 -0.129 0.000 0.480 804 M CA 3.246 58.472 55.300 -0.125 0.000 1.311 804 M CB -2.001 30.532 32.600 -0.113 0.000 0.421 804 M HN 1.892 nan 8.290 nan 0.000 0.892 805 T N -1.737 112.750 114.554 -0.111 0.000 3.272 805 T HA 0.302 4.652 4.350 0.001 0.000 0.250 805 T C 0.506 175.206 174.700 -0.000 0.000 1.082 805 T CA 0.509 62.585 62.100 -0.041 0.000 0.968 805 T CB 0.132 68.986 68.868 -0.023 0.000 1.015 805 T HN 0.504 nan 8.240 nan 0.000 0.563 806 S N 0.491 116.111 115.700 -0.132 0.000 2.590 806 S HA 0.432 4.903 4.470 0.001 0.000 0.282 806 S C -0.024 174.325 174.600 -0.419 0.000 1.136 806 S CA -0.823 57.227 58.200 -0.249 0.000 1.030 806 S CB 0.713 63.803 63.200 -0.184 0.000 1.195 806 S HN 0.404 nan 8.310 nan 0.000 0.506 807 Q N 1.482 121.047 119.800 -0.391 0.000 2.318 807 Q HA 0.417 4.757 4.340 0.001 0.000 0.222 807 Q C -2.378 173.494 176.000 -0.213 0.000 1.003 807 Q CA -2.223 53.364 55.803 -0.360 0.000 0.936 807 Q CB -0.822 27.737 28.738 -0.299 0.000 1.204 807 Q HN 0.454 nan 8.270 nan 0.000 0.524 808 P HA -0.067 nan 4.420 nan 0.000 0.267 808 P C -0.048 177.212 177.300 -0.067 0.000 1.200 808 P CA 0.062 63.101 63.100 -0.103 0.000 0.772 808 P CB 0.431 32.080 31.700 -0.086 0.000 0.855 809 S N 2.754 118.433 115.700 -0.035 0.000 2.575 809 S HA -0.059 4.412 4.470 0.001 0.000 0.295 809 S C 1.568 176.189 174.600 0.034 0.000 1.267 809 S CA -0.339 57.863 58.200 0.004 0.000 1.074 809 S CB -0.477 62.736 63.200 0.023 0.000 0.829 809 S HN 0.524 nan 8.310 nan 0.000 0.497 810 M N 5.734 125.373 119.600 0.065 0.000 2.086 810 M HA -0.024 4.456 4.480 0.001 0.000 0.261 810 M C 2.026 178.402 176.300 0.127 0.000 1.067 810 M CA 2.313 57.676 55.300 0.105 0.000 1.116 810 M CB -1.197 31.500 32.600 0.162 0.000 1.348 810 M HN 0.866 nan 8.290 nan 0.000 0.407 811 G N -0.324 108.571 108.800 0.158 0.000 2.469 811 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 811 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 811 G C 1.451 176.431 174.900 0.132 0.000 1.136 811 G CA 1.197 46.406 45.100 0.182 0.000 0.759 811 G HN 0.658 nan 8.290 nan 0.000 0.562 812 A N 0.216 123.092 122.820 0.094 0.000 1.872 812 A HA 0.230 4.550 4.320 0.001 0.000 0.214 812 A C 2.423 180.039 177.584 0.054 0.000 1.187 812 A CA 1.165 53.243 52.037 0.067 0.000 0.614 812 A CB -0.394 18.632 19.000 0.042 0.000 0.826 812 A HN 0.321 nan 8.150 nan 0.000 0.442 813 L N -0.356 120.896 121.223 0.048 0.000 2.046 813 L HA -0.162 4.179 4.340 0.001 0.000 0.208 813 L C 2.553 179.451 176.870 0.047 0.000 1.077 813 L CA 1.124 55.986 54.840 0.037 0.000 0.747 813 L CB -0.358 41.717 42.059 0.027 0.000 0.896 813 L HN 0.248 nan 8.230 nan 0.000 0.432 814 V N -0.281 119.671 119.914 0.063 0.000 2.287 814 V HA -0.338 3.782 4.120 0.001 0.000 0.248 814 V C 2.669 178.792 176.094 0.048 0.000 1.053 814 V CA 1.917 64.252 62.300 0.058 0.000 1.027 814 V CB -1.053 30.811 31.823 0.067 0.000 0.646 814 V HN 0.518 nan 8.190 nan 0.000 0.447 815 A N -1.198 121.659 122.820 0.061 0.000 1.898 815 A HA -0.220 4.100 4.320 0.001 0.000 0.216 815 A C 2.103 179.714 177.584 0.045 0.000 1.181 815 A CA 2.053 54.126 52.037 0.060 0.000 0.620 815 A CB -0.906 18.146 19.000 0.086 0.000 0.819 815 A HN 0.616 nan 8.150 nan 0.000 0.442 816 C N -1.426 117.898 119.300 0.040 0.000 2.626 816 C HA 0.194 4.654 4.460 0.001 0.000 0.266 816 C C 2.403 177.407 174.990 0.024 0.000 1.317 816 C CA 1.016 60.051 59.018 0.030 0.000 1.716 816 C CB -1.324 26.431 27.740 0.025 0.000 1.819 816 C HN 0.634 nan 8.230 nan 0.000 0.578 817 T N -0.016 114.554 114.554 0.026 0.000 2.990 817 T HA 0.118 4.468 4.350 0.001 0.000 0.249 817 T C 0.894 175.606 174.700 0.020 0.000 1.039 817 T CA -0.002 62.112 62.100 0.023 0.000 1.036 817 T CB 0.054 68.939 68.868 0.028 0.000 0.994 817 T HN 0.513 nan 8.240 nan 0.000 0.489 818 R N 0.432 120.945 120.500 0.021 0.000 2.694 818 R HA 0.408 4.749 4.340 0.001 0.000 0.268 818 R C 1.394 177.702 176.300 0.013 0.000 1.061 818 R CA 0.745 56.855 56.100 0.017 0.000 1.133 818 R CB 0.016 30.326 30.300 0.017 0.000 1.020 818 R HN 0.264 nan 8.270 nan 0.000 0.475 819 G N 0.721 109.526 108.800 0.009 0.000 2.168 819 G HA2 -0.306 3.655 3.960 0.001 0.000 0.257 819 G HA3 -0.306 3.655 3.960 0.001 0.000 0.257 819 G C 0.075 174.978 174.900 0.005 0.000 0.997 819 G CA 0.788 45.892 45.100 0.006 0.000 0.708 819 G HN 0.800 nan 8.290 nan 0.000 0.520 820 T N -4.366 110.191 114.554 0.005 0.000 2.906 820 T HA 0.704 5.054 4.350 0.001 0.000 0.295 820 T C -1.492 173.208 174.700 -0.001 0.000 1.075 820 T CA -1.103 60.999 62.100 0.003 0.000 1.005 820 T CB 2.658 71.529 68.868 0.005 0.000 1.136 820 T HN -0.155 nan 8.240 nan 0.000 0.498 821 P HA -0.004 nan 4.420 nan 0.000 0.221 821 P C 1.253 178.550 177.300 -0.006 0.000 1.141 821 P CA 0.878 63.971 63.100 -0.010 0.000 0.794 821 P CB -0.117 31.576 31.700 -0.010 0.000 0.764 822 L N -1.918 119.307 121.223 0.003 0.000 2.418 822 L HA 0.033 4.373 4.340 0.001 0.000 0.218 822 L C 1.029 177.914 176.870 0.026 0.000 1.125 822 L CA 0.026 54.874 54.840 0.012 0.000 0.835 822 L CB -0.919 41.146 42.059 0.011 0.000 0.953 822 L HN -0.021 nan 8.230 nan 0.000 0.454 823 D N 1.464 121.876 120.400 0.021 0.000 3.277 823 D HA -0.150 4.490 4.640 0.001 0.000 0.203 823 D C 1.264 177.599 176.300 0.058 0.000 1.057 823 D CA 0.907 54.925 54.000 0.029 0.000 0.751 823 D CB 1.064 41.873 40.800 0.016 0.000 1.155 823 D HN 0.257 nan 8.370 nan 0.000 0.536 824 T N 0.721 115.313 114.554 0.063 0.000 3.014 824 T HA -0.038 4.312 4.350 0.001 0.000 0.263 824 T C 0.952 175.708 174.700 0.092 0.000 1.078 824 T CA 0.633 62.788 62.100 0.091 0.000 1.135 824 T CB 0.001 68.913 68.868 0.074 0.000 0.895 824 T HN 0.722 nan 8.240 nan 0.000 0.480 825 E N -0.290 119.942 120.200 0.053 0.000 3.286 825 E HA -0.133 4.217 4.350 0.001 0.000 0.292 825 E C -0.793 175.806 176.600 -0.001 0.000 0.928 825 E CA 0.162 56.578 56.400 0.028 0.000 0.982 825 E CB -1.905 27.823 29.700 0.047 0.000 1.500 825 E HN 0.439 nan 8.360 nan 0.000 0.441 826 V N 1.664 121.576 119.914 -0.003 0.000 2.427 826 V HA 0.183 4.303 4.120 0.001 0.000 0.268 826 V C -1.719 174.323 176.094 -0.087 0.000 1.046 826 V CA -1.132 61.137 62.300 -0.053 0.000 0.970 826 V CB 0.585 32.412 31.823 0.006 0.000 1.001 826 V HN -0.005 nan 8.190 nan 0.000 0.476 827 P HA 0.137 nan 4.420 nan 0.000 0.266 827 P C 0.880 178.051 177.300 -0.215 0.000 1.195 827 P CA -0.183 62.826 63.100 -0.151 0.000 0.768 827 P CB 0.472 32.078 31.700 -0.155 0.000 0.838 828 M N 1.595 121.024 119.600 -0.285 0.000 2.229 828 M HA -0.111 4.369 4.480 0.001 0.000 0.264 828 M C 1.463 177.175 176.300 -0.981 0.000 1.063 828 M CA 1.775 56.714 55.300 -0.601 0.000 1.114 828 M CB -1.254 30.984 32.600 -0.604 0.000 1.387 828 M HN 0.408 nan 8.290 nan 0.000 0.420 829 E N 0.080 119.954 120.200 -0.543 0.000 2.118 829 E HA -0.148 4.202 4.350 0.001 0.000 0.195 829 E C 2.145 178.700 176.600 -0.074 0.000 0.992 829 E CA 1.204 57.446 56.400 -0.265 0.000 0.804 829 E CB -0.093 29.579 29.700 -0.046 0.000 0.741 829 E HN 0.423 nan 8.360 nan 0.000 0.458 830 R N -0.258 120.188 120.500 -0.090 0.000 2.066 830 R HA -0.073 4.267 4.340 0.001 0.000 0.232 830 R C 2.348 178.817 176.300 0.281 0.000 1.131 830 R CA 1.279 57.413 56.100 0.057 0.000 0.955 830 R CB -0.537 29.596 30.300 -0.277 0.000 0.851 830 R HN 0.059 nan 8.270 nan 0.000 0.432 831 V N 1.127 121.140 119.914 0.165 0.000 2.252 831 V HA -0.296 3.825 4.120 0.001 0.000 0.249 831 V C 2.111 178.493 176.094 0.481 0.000 1.056 831 V CA 1.993 64.528 62.300 0.392 0.000 1.022 831 V CB -0.691 31.263 31.823 0.219 0.000 0.641 831 V HN 0.274 nan 8.190 nan 0.000 0.445 832 F N 0.301 120.404 119.950 0.254 0.000 2.063 832 F HA -0.288 4.240 4.527 0.001 0.000 0.298 832 F C 2.521 178.445 175.800 0.208 0.000 1.109 832 F CA 1.533 59.649 58.000 0.192 0.000 1.212 832 F CB -0.509 38.572 39.000 0.136 0.000 0.973 832 F HN 0.226 nan 8.300 nan 0.000 0.480 833 D N -0.676 119.979 120.400 0.425 0.000 2.117 833 D HA -0.189 4.451 4.640 0.001 0.000 0.198 833 D C 1.815 178.266 176.300 0.252 0.000 0.982 833 D CA 1.008 55.163 54.000 0.258 0.000 0.828 833 D CB -0.736 40.172 40.800 0.179 0.000 0.967 833 D HN 0.220 nan 8.370 nan 0.000 0.464 834 Y N 1.487 121.980 120.300 0.322 0.000 2.128 834 Y HA -0.233 4.318 4.550 0.001 0.000 0.284 834 Y C 2.523 178.690 175.900 0.446 0.000 1.154 834 Y CA 1.584 59.931 58.100 0.412 0.000 1.149 834 Y CB -0.698 38.153 38.460 0.652 0.000 0.976 834 Y HN -0.077 nan 8.280 nan 0.000 0.505 835 S N -0.568 115.349 115.700 0.361 0.000 2.402 835 S HA -0.190 4.281 4.470 0.001 0.000 0.229 835 S C 2.102 176.820 174.600 0.197 0.000 1.021 835 S CA 1.379 59.720 58.200 0.236 0.000 0.974 835 S CB -0.525 62.824 63.200 0.249 0.000 0.800 835 S HN 0.676 nan 8.310 nan 0.000 0.484 836 E N -0.790 119.520 120.200 0.184 0.000 2.152 836 E HA -0.151 4.200 4.350 0.001 0.000 0.192 836 E C 1.770 178.400 176.600 0.050 0.000 0.983 836 E CA 0.944 57.406 56.400 0.104 0.000 0.818 836 E CB -0.269 29.490 29.700 0.098 0.000 0.758 836 E HN 0.794 nan 8.360 nan 0.000 0.467 837 Y N -0.414 119.839 120.300 -0.078 0.000 2.145 837 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 837 Y C 1.675 177.424 175.900 -0.251 0.000 1.145 837 Y CA 2.026 59.998 58.100 -0.214 0.000 1.148 837 Y CB -0.627 37.630 38.460 -0.339 0.000 0.981 837 Y HN 0.071 nan 8.280 nan 0.000 0.507 838 W N 1.050 122.301 121.300 -0.082 0.000 2.425 838 W HA -0.075 4.586 4.660 0.001 0.000 0.277 838 W C 2.505 178.921 176.519 -0.171 0.000 1.231 838 W CA 1.297 58.540 57.345 -0.170 0.000 1.248 838 W CB -0.166 29.198 29.460 -0.160 0.000 1.117 838 W HN 0.165 nan 8.180 nan 0.000 0.568 839 E N -0.054 120.190 120.200 0.073 0.000 2.110 839 E HA -0.160 4.190 4.350 0.001 0.000 0.193 839 E C 2.393 178.969 176.600 -0.040 0.000 0.988 839 E CA 1.427 57.844 56.400 0.029 0.000 0.804 839 E CB -0.450 29.260 29.700 0.018 0.000 0.745 839 E HN 0.308 nan 8.360 nan 0.000 0.458 840 G N 0.600 109.312 108.800 -0.147 0.000 2.394 840 G HA2 -0.175 3.785 3.960 0.001 0.000 0.214 840 G HA3 -0.175 3.785 3.960 0.001 0.000 0.214 840 G C 1.642 176.402 174.900 -0.233 0.000 1.176 840 G CA 0.798 45.779 45.100 -0.199 0.000 0.786 840 G HN 0.379 nan 8.290 nan 0.000 0.533 841 A N 0.824 123.394 122.820 -0.418 0.000 1.883 841 A HA -0.070 4.251 4.320 0.001 0.000 0.217 841 A C 2.309 179.939 177.584 0.077 0.000 1.186 841 A CA 1.970 53.831 52.037 -0.294 0.000 0.624 841 A CB -0.569 18.073 19.000 -0.598 0.000 0.822 841 A HN 0.343 nan 8.150 nan 0.000 0.444 842 R N -0.629 119.958 120.500 0.145 0.000 2.133 842 R HA -0.177 4.163 4.340 0.001 0.000 0.247 842 R C 2.207 178.610 176.300 0.171 0.000 1.151 842 R CA 1.695 57.921 56.100 0.210 0.000 0.971 842 R CB -0.771 29.613 30.300 0.140 0.000 0.866 842 R HN 0.502 nan 8.270 nan 0.000 0.447 843 G N 0.786 109.621 108.800 0.060 0.000 2.450 843 G HA2 -0.241 3.720 3.960 0.001 0.000 0.220 843 G HA3 -0.241 3.720 3.960 0.001 0.000 0.220 843 G C 1.385 176.281 174.900 -0.008 0.000 1.130 843 G CA 0.833 45.941 45.100 0.013 0.000 0.760 843 G HN 0.294 nan 8.290 nan 0.000 0.557 844 L N -1.362 119.841 121.223 -0.034 0.000 2.275 844 L HA 0.046 4.386 4.340 0.001 0.000 0.215 844 L C 1.650 178.362 176.870 -0.264 0.000 1.119 844 L CA 0.548 55.278 54.840 -0.184 0.000 0.790 844 L CB -0.189 41.689 42.059 -0.300 0.000 0.919 844 L HN 0.190 nan 8.230 nan 0.000 0.443 845 Y N -0.726 119.619 120.300 0.075 0.000 2.625 845 Y HA 0.299 4.850 4.550 0.001 0.000 0.285 845 Y C 2.080 178.031 175.900 0.085 0.000 1.168 845 Y CA -0.012 58.198 58.100 0.183 0.000 1.250 845 Y CB -0.307 38.286 38.460 0.221 0.000 1.130 845 Y HN 0.044 nan 8.280 nan 0.000 0.526 846 A N 0.774 123.631 122.820 0.061 0.000 1.958 846 A HA -0.310 4.010 4.320 0.001 0.000 0.221 846 A C 2.458 179.974 177.584 -0.114 0.000 1.178 846 A CA 2.109 54.138 52.037 -0.013 0.000 0.642 846 A CB -0.935 18.037 19.000 -0.046 0.000 0.816 846 A HN 0.487 nan 8.150 nan 0.000 0.453 847 A N -1.784 120.849 122.820 -0.312 0.000 2.076 847 A HA 0.057 4.377 4.320 0.001 0.000 0.220 847 A C 1.502 178.658 177.584 -0.713 0.000 1.160 847 A CA 1.442 53.112 52.037 -0.611 0.000 0.653 847 A CB -0.632 17.786 19.000 -0.970 0.000 0.801 847 A HN 0.617 nan 8.150 nan 0.000 0.455 848 F N -1.057 118.893 119.950 0.000 0.000 2.688 848 F HA 0.235 4.763 4.527 0.001 0.000 0.310 848 F C 0.273 176.027 175.800 -0.076 0.000 1.098 848 F CA -1.058 56.896 58.000 -0.077 0.000 1.228 848 F CB 0.387 39.366 39.000 -0.036 0.000 1.042 848 F HN -0.032 nan 8.300 nan 0.000 0.557 849 D N 1.348 121.805 120.400 0.095 0.000 2.339 849 D HA 0.012 4.652 4.640 0.001 0.000 0.256 849 D C 1.503 177.841 176.300 0.064 0.000 1.214 849 D CA -0.034 54.013 54.000 0.077 0.000 0.877 849 D CB 1.131 41.973 40.800 0.070 0.000 1.111 849 D HN 0.394 nan 8.370 nan 0.000 0.478 850 C N 1.863 121.190 119.300 0.044 0.000 2.410 850 C HA -0.107 4.354 4.460 0.001 0.000 0.281 850 C C 2.366 177.404 174.990 0.080 0.000 1.318 850 C CA 0.702 59.767 59.018 0.079 0.000 1.776 850 C CB -1.251 26.506 27.740 0.029 0.000 1.942 850 C HN 0.663 nan 8.230 nan 0.000 0.508 851 T N 0.879 115.453 114.554 0.034 0.000 2.969 851 T HA -0.044 4.306 4.350 0.001 0.000 0.271 851 T C 1.953 176.666 174.700 0.022 0.000 1.127 851 T CA 1.504 63.608 62.100 0.008 0.000 1.102 851 T CB -0.510 68.358 68.868 -0.001 0.000 0.855 851 T HN 0.819 nan 8.240 nan 0.000 0.536 852 A N 0.582 123.442 122.820 0.067 0.000 2.024 852 A HA -0.076 4.244 4.320 0.001 0.000 0.220 852 A C 2.386 179.985 177.584 0.024 0.000 1.164 852 A CA 2.240 54.313 52.037 0.060 0.000 0.643 852 A CB -0.526 18.546 19.000 0.120 0.000 0.806 852 A HN 0.677 nan 8.150 nan 0.000 0.451 853 T N -5.173 109.408 114.554 0.045 0.000 2.966 853 T HA 0.409 4.760 4.350 0.001 0.000 0.254 853 T C 0.490 175.185 174.700 -0.007 0.000 0.961 853 T CA 0.304 62.390 62.100 -0.024 0.000 0.915 853 T CB -0.133 68.718 68.868 -0.027 0.000 1.186 853 T HN 0.309 nan 8.240 nan 0.000 0.505 854 M N 3.263 122.827 119.600 -0.061 0.000 2.047 854 M HA 0.432 4.913 4.480 0.001 0.000 0.342 854 M C -0.013 176.217 176.300 -0.117 0.000 1.058 854 M CA -0.581 54.591 55.300 -0.214 0.000 0.991 854 M CB 0.997 33.343 32.600 -0.424 0.000 1.474 854 M HN -0.001 nan 8.290 nan 0.000 0.419 855 K N 2.118 122.464 120.400 -0.090 0.000 2.373 855 K HA 0.358 4.678 4.320 0.001 0.000 0.202 855 K C -0.476 176.088 176.600 -0.060 0.000 1.025 855 K CA -0.231 56.019 56.287 -0.062 0.000 1.115 855 K CB 0.596 33.069 32.500 -0.044 0.000 0.858 855 K HN 0.536 nan 8.250 nan 0.000 0.525 856 S N -0.296 115.358 115.700 -0.077 0.000 2.615 856 S HA 0.520 4.991 4.470 0.001 0.000 0.269 856 S C -0.393 174.144 174.600 -0.105 0.000 1.161 856 S CA -0.700 57.458 58.200 -0.070 0.000 0.817 856 S CB 1.713 64.888 63.200 -0.041 0.000 1.131 856 S HN 0.372 nan 8.310 nan 0.000 0.467 857 G N 0.574 109.310 108.800 -0.108 0.000 2.611 857 G HA2 0.483 4.444 3.960 0.001 0.000 0.273 857 G HA3 0.483 4.444 3.960 0.001 0.000 0.273 857 G C -0.657 174.162 174.900 -0.134 0.000 1.305 857 G CA -0.254 44.752 45.100 -0.157 0.000 1.010 857 G HN 0.692 nan 8.290 nan 0.000 0.509 858 N N -2.229 116.359 118.700 -0.187 0.000 2.503 858 N HA 0.217 4.957 4.740 0.001 0.000 0.287 858 N C 0.790 176.219 175.510 -0.135 0.000 1.096 858 N CA -0.035 52.955 53.050 -0.099 0.000 0.936 858 N CB 1.386 39.872 38.487 -0.002 0.000 1.570 858 N HN 0.398 nan 8.380 nan 0.000 0.504 859 S N 1.331 116.999 115.700 -0.053 0.000 2.561 859 S HA -0.117 4.353 4.470 0.001 0.000 0.225 859 S C 1.043 175.621 174.600 -0.036 0.000 0.977 859 S CA 0.838 59.002 58.200 -0.062 0.000 0.926 859 S CB -0.183 63.087 63.200 0.118 0.000 0.769 859 S HN 0.758 nan 8.310 nan 0.000 0.533 860 D N 2.448 122.862 120.400 0.023 0.000 2.378 860 D HA -0.087 4.553 4.640 0.001 0.000 0.227 860 D C 1.793 178.125 176.300 0.053 0.000 1.012 860 D CA 0.848 54.895 54.000 0.079 0.000 0.905 860 D CB -0.862 40.006 40.800 0.113 0.000 0.895 860 D HN 0.492 nan 8.370 nan 0.000 0.532 861 V N -1.918 117.955 119.914 -0.068 0.000 2.688 861 V HA -0.270 3.850 4.120 0.001 0.000 0.256 861 V C 2.009 178.049 176.094 -0.090 0.000 1.084 861 V CA 1.152 63.389 62.300 -0.105 0.000 1.103 861 V CB -1.736 29.920 31.823 -0.277 0.000 0.688 861 V HN 0.158 nan 8.190 nan 0.000 0.480 862 Y N 0.815 121.139 120.300 0.040 0.000 2.421 862 Y HA -0.059 4.492 4.550 0.001 0.000 0.292 862 Y C 2.779 178.701 175.900 0.037 0.000 1.136 862 Y CA 1.572 59.694 58.100 0.037 0.000 1.255 862 Y CB 0.115 38.594 38.460 0.032 0.000 0.991 862 Y HN 0.381 nan 8.280 nan 0.000 0.552 863 E N 0.430 120.729 120.200 0.166 0.000 2.162 863 E HA -0.112 4.238 4.350 0.001 0.000 0.193 863 E C 1.429 178.078 176.600 0.082 0.000 0.953 863 E CA 1.005 57.471 56.400 0.111 0.000 0.849 863 E CB 0.124 29.878 29.700 0.090 0.000 0.810 863 E HN 0.588 nan 8.360 nan 0.000 0.470 864 N N -0.127 118.610 118.700 0.061 0.000 2.432 864 N HA -0.030 4.711 4.740 0.001 0.000 0.174 864 N C -0.412 175.134 175.510 0.059 0.000 1.037 864 N CA 0.575 53.647 53.050 0.037 0.000 0.892 864 N CB 0.175 38.613 38.487 -0.081 0.000 1.049 864 N HN 0.035 nan 8.380 nan 0.000 0.442 865 E N -0.124 120.100 120.200 0.040 0.000 2.340 865 E HA -0.162 4.188 4.350 0.001 0.000 0.240 865 E C -0.980 175.642 176.600 0.037 0.000 1.154 865 E CA 0.211 56.643 56.400 0.053 0.000 0.717 865 E CB -1.844 27.907 29.700 0.084 0.000 1.250 865 E HN 0.556 nan 8.360 nan 0.000 0.386 866 I N 1.637 122.158 120.570 -0.082 0.000 2.325 866 I HA 0.225 4.395 4.170 0.001 0.000 0.291 866 I C -1.501 174.638 176.117 0.036 0.000 1.019 866 I CA -2.178 59.036 61.300 -0.144 0.000 1.302 866 I CB 0.381 38.156 38.000 -0.375 0.000 1.401 866 I HN -0.117 nan 8.210 nan 0.000 0.485 867 P HA -0.038 nan 4.420 nan 0.000 0.269 867 P C 0.969 178.232 177.300 -0.062 0.000 1.217 867 P CA 0.063 63.123 63.100 -0.066 0.000 0.783 867 P CB 0.632 32.294 31.700 -0.062 0.000 0.898 868 G N 1.841 110.501 108.800 -0.232 0.000 2.574 868 G HA2 -0.305 3.656 3.960 0.001 0.000 0.220 868 G HA3 -0.305 3.656 3.960 0.001 0.000 0.220 868 G C 1.731 176.660 174.900 0.049 0.000 1.173 868 G CA 1.217 46.266 45.100 -0.084 0.000 0.772 868 G HN 0.640 nan 8.290 nan 0.000 0.585 869 G N -0.418 108.398 108.800 0.026 0.000 2.394 869 G HA2 -0.155 3.806 3.960 0.001 0.000 0.214 869 G HA3 -0.155 3.806 3.960 0.001 0.000 0.214 869 G C 1.714 176.664 174.900 0.084 0.000 1.176 869 G CA 1.140 46.276 45.100 0.060 0.000 0.786 869 G HN 0.519 nan 8.290 nan 0.000 0.533 870 Q N -1.039 118.812 119.800 0.086 0.000 2.096 870 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 870 Q C 2.185 178.273 176.000 0.147 0.000 0.982 870 Q CA 1.355 57.223 55.803 0.108 0.000 0.850 870 Q CB -0.303 28.502 28.738 0.110 0.000 0.901 870 Q HN 0.550 nan 8.270 nan 0.000 0.422 871 Y N 0.488 120.809 120.300 0.035 0.000 2.128 871 Y HA -0.274 4.277 4.550 0.001 0.000 0.284 871 Y C 2.632 178.605 175.900 0.120 0.000 1.154 871 Y CA 2.207 60.356 58.100 0.082 0.000 1.149 871 Y CB -0.618 37.853 38.460 0.018 0.000 0.976 871 Y HN 0.200 nan 8.280 nan 0.000 0.505 872 T N -0.559 114.176 114.554 0.301 0.000 2.942 872 T HA -0.083 4.267 4.350 0.001 0.000 0.265 872 T C 1.123 175.918 174.700 0.158 0.000 1.062 872 T CA 1.176 63.389 62.100 0.188 0.000 1.139 872 T CB -0.355 68.567 68.868 0.091 0.000 0.883 872 T HN 0.332 nan 8.240 nan 0.000 0.468 873 N N 1.068 119.843 118.700 0.126 0.000 2.389 873 N HA 0.230 4.970 4.740 0.001 0.000 0.237 873 N C 0.405 175.996 175.510 0.136 0.000 1.148 873 N CA 0.114 53.225 53.050 0.101 0.000 0.854 873 N CB 1.154 39.671 38.487 0.050 0.000 1.115 873 N HN 0.366 nan 8.380 nan 0.000 0.492 874 L N -1.387 119.930 121.223 0.157 0.000 2.877 874 L HA 0.109 4.449 4.340 0.001 0.000 0.275 874 L C 1.787 178.667 176.870 0.015 0.000 1.027 874 L CA 0.269 55.221 54.840 0.186 0.000 1.135 874 L CB -0.074 42.141 42.059 0.260 0.000 2.080 874 L HN 0.128 nan 8.230 nan 0.000 0.560 875 H N -0.587 118.234 119.070 -0.416 0.000 2.353 875 H HA -0.192 4.364 4.556 0.001 0.000 0.300 875 H C 1.892 176.972 175.328 -0.412 0.000 1.090 875 H CA 2.311 57.698 56.048 -1.102 0.000 1.327 875 H CB -0.060 29.356 29.762 -0.577 0.000 1.383 875 H HN 0.397 nan 8.280 nan 0.000 0.508 876 F N 1.789 121.718 119.950 -0.035 0.000 2.102 876 F HA -0.192 4.336 4.527 0.001 0.000 0.298 876 F C 2.878 178.643 175.800 -0.059 0.000 1.105 876 F CA 1.730 59.743 58.000 0.022 0.000 1.239 876 F CB -0.382 38.642 39.000 0.041 0.000 0.991 876 F HN 0.165 nan 8.300 nan 0.000 0.474 877 Q N -0.571 119.294 119.800 0.109 0.000 2.308 877 Q HA -0.185 4.156 4.340 0.001 0.000 0.209 877 Q C 1.713 177.650 176.000 -0.106 0.000 0.985 877 Q CA 1.168 57.002 55.803 0.051 0.000 0.881 877 Q CB -0.238 28.566 28.738 0.110 0.000 0.917 877 Q HN 0.522 nan 8.270 nan 0.000 0.443 878 A N -1.621 121.044 122.820 -0.258 0.000 2.390 878 A HA 0.045 4.365 4.320 0.001 0.000 0.232 878 A C 0.879 178.129 177.584 -0.557 0.000 1.233 878 A CA -0.106 51.725 52.037 -0.345 0.000 0.907 878 A CB 0.262 19.092 19.000 -0.285 0.000 0.967 878 A HN 0.304 nan 8.150 nan 0.000 0.512 879 H N -0.881 117.955 119.070 -0.389 0.000 3.046 879 H HA 0.113 4.669 4.556 0.001 0.000 0.262 879 H C 1.938 177.037 175.328 -0.382 0.000 1.044 879 H CA 1.119 56.953 56.048 -0.357 0.000 1.209 879 H CB 0.634 30.170 29.762 -0.376 0.000 1.507 879 H HN 0.638 nan 8.280 nan 0.000 0.507 880 S N 0.536 115.989 115.700 -0.411 0.000 2.738 880 S HA -0.067 4.404 4.470 0.001 0.000 0.216 880 S C 2.108 176.574 174.600 -0.223 0.000 0.968 880 S CA 0.383 58.301 58.200 -0.471 0.000 0.879 880 S CB -0.245 62.307 63.200 -1.079 0.000 0.837 880 S HN 0.265 nan 8.310 nan 0.000 0.622 881 M N 1.319 120.825 119.600 -0.157 0.000 2.236 881 M HA 0.351 4.831 4.480 0.001 0.000 0.266 881 M C 1.312 177.572 176.300 -0.068 0.000 1.070 881 M CA 1.228 56.491 55.300 -0.063 0.000 1.137 881 M CB -0.755 31.842 32.600 -0.005 0.000 1.378 881 M HN 0.390 nan 8.290 nan 0.000 0.426 882 G N 1.064 109.806 108.800 -0.097 0.000 2.971 882 G HA2 0.714 4.675 3.960 0.001 0.000 0.235 882 G HA3 0.714 4.675 3.960 0.001 0.000 0.235 882 G C -1.307 173.521 174.900 -0.120 0.000 1.351 882 G CA -1.010 44.034 45.100 -0.093 0.000 1.039 882 G HN 0.258 nan 8.290 nan 0.000 0.563 883 L N -0.364 120.790 121.223 -0.115 0.000 2.436 883 L HA 0.585 4.925 4.340 0.001 0.000 0.268 883 L C 0.919 177.705 176.870 -0.140 0.000 0.974 883 L CA 0.211 54.988 54.840 -0.104 0.000 0.826 883 L CB 1.845 43.872 42.059 -0.054 0.000 1.291 883 L HN 1.154 nan 8.230 nan 0.000 0.406 884 G N 2.210 110.900 108.800 -0.182 0.000 2.595 884 G HA2 -0.374 3.586 3.960 0.001 0.000 0.297 884 G HA3 -0.374 3.586 3.960 0.001 0.000 0.297 884 G C 0.760 175.486 174.900 -0.290 0.000 1.181 884 G CA 0.555 45.562 45.100 -0.155 0.000 0.963 884 G HN 0.798 nan 8.290 nan 0.000 0.541 885 S N 1.547 117.181 115.700 -0.110 0.000 2.593 885 S HA 0.142 4.612 4.470 0.001 0.000 0.217 885 S C 1.755 176.321 174.600 -0.056 0.000 0.966 885 S CA 1.229 59.396 58.200 -0.055 0.000 0.914 885 S CB 0.124 63.316 63.200 -0.014 0.000 0.776 885 S HN 1.119 nan 8.310 nan 0.000 0.523 886 K N 0.249 120.599 120.400 -0.083 0.000 2.442 886 K HA -0.013 4.308 4.320 0.001 0.000 0.198 886 K C 1.432 178.017 176.600 -0.024 0.000 1.042 886 K CA 0.691 56.943 56.287 -0.059 0.000 0.958 886 K CB -0.523 31.938 32.500 -0.065 0.000 0.766 886 K HN 0.334 nan 8.250 nan 0.000 0.474 887 F N 2.569 122.383 119.950 -0.227 0.000 2.325 887 F HA -0.004 4.523 4.527 0.001 0.000 0.299 887 F C 1.881 177.594 175.800 -0.143 0.000 1.090 887 F CA 0.945 58.815 58.000 -0.216 0.000 1.392 887 F CB 0.121 38.923 39.000 -0.331 0.000 1.053 887 F HN -0.132 nan 8.300 nan 0.000 0.521 888 K N 0.703 121.041 120.400 -0.103 0.000 2.009 888 K HA -0.205 4.115 4.320 0.001 0.000 0.210 888 K C 1.999 178.491 176.600 -0.181 0.000 1.049 888 K CA 1.939 58.141 56.287 -0.142 0.000 0.929 888 K CB -0.688 31.782 32.500 -0.050 0.000 0.714 888 K HN 0.358 nan 8.250 nan 0.000 0.440 889 E N 0.353 120.476 120.200 -0.127 0.000 2.106 889 E HA -0.110 4.241 4.350 0.001 0.000 0.192 889 E C 2.015 178.540 176.600 -0.126 0.000 0.984 889 E CA 0.752 57.091 56.400 -0.102 0.000 0.806 889 E CB -0.008 29.652 29.700 -0.067 0.000 0.750 889 E HN -0.040 nan 8.360 nan 0.000 0.458 890 V N 1.574 121.380 119.914 -0.180 0.000 2.287 890 V HA -0.310 3.810 4.120 0.001 0.000 0.248 890 V C 2.085 178.039 176.094 -0.234 0.000 1.053 890 V CA 1.808 63.995 62.300 -0.187 0.000 1.027 890 V CB -0.385 31.311 31.823 -0.213 0.000 0.646 890 V HN 0.231 nan 8.190 nan 0.000 0.447 891 K N -0.267 119.867 120.400 -0.442 0.000 2.097 891 K HA -0.138 4.183 4.320 0.001 0.000 0.205 891 K C 2.228 178.746 176.600 -0.136 0.000 1.050 891 K CA 0.904 56.965 56.287 -0.377 0.000 0.938 891 K CB -0.216 31.979 32.500 -0.508 0.000 0.718 891 K HN 0.322 nan 8.250 nan 0.000 0.442 892 K N 0.689 121.018 120.400 -0.118 0.000 2.097 892 K HA -0.040 4.280 4.320 0.001 0.000 0.205 892 K C 2.034 178.622 176.600 -0.019 0.000 1.050 892 K CA 1.185 57.441 56.287 -0.052 0.000 0.938 892 K CB -0.397 32.072 32.500 -0.052 0.000 0.718 892 K HN 0.127 nan 8.250 nan 0.000 0.442 893 A N -0.075 122.734 122.820 -0.020 0.000 1.970 893 A HA -0.123 4.198 4.320 0.001 0.000 0.216 893 A C 2.162 179.760 177.584 0.023 0.000 1.170 893 A CA 0.773 52.810 52.037 0.001 0.000 0.645 893 A CB -0.606 18.394 19.000 0.001 0.000 0.816 893 A HN 0.310 nan 8.150 nan 0.000 0.447 894 Y N 0.511 120.754 120.300 -0.095 0.000 2.145 894 Y HA -0.223 4.327 4.550 0.001 0.000 0.286 894 Y C 2.411 178.269 175.900 -0.070 0.000 1.145 894 Y CA 2.064 60.111 58.100 -0.087 0.000 1.148 894 Y CB -0.151 38.234 38.460 -0.125 0.000 0.981 894 Y HN 0.093 nan 8.280 nan 0.000 0.507 895 V N 0.444 120.462 119.914 0.173 0.000 2.287 895 V HA -0.345 3.776 4.120 0.001 0.000 0.248 895 V C 2.048 178.146 176.094 0.008 0.000 1.053 895 V CA 2.426 64.781 62.300 0.091 0.000 1.027 895 V CB -0.610 31.246 31.823 0.055 0.000 0.646 895 V HN 0.448 nan 8.190 nan 0.000 0.447 896 E N -0.074 120.118 120.200 -0.012 0.000 2.106 896 E HA -0.122 4.229 4.350 0.001 0.000 0.192 896 E C 2.316 178.864 176.600 -0.087 0.000 0.984 896 E CA 1.158 57.533 56.400 -0.042 0.000 0.806 896 E CB -0.335 29.348 29.700 -0.029 0.000 0.750 896 E HN 0.605 nan 8.360 nan 0.000 0.458 897 A N 1.749 124.504 122.820 -0.110 0.000 1.898 897 A HA -0.245 4.076 4.320 0.001 0.000 0.216 897 A C 2.000 179.460 177.584 -0.207 0.000 1.181 897 A CA 1.537 53.474 52.037 -0.166 0.000 0.620 897 A CB -0.771 18.108 19.000 -0.202 0.000 0.819 897 A HN 0.279 nan 8.150 nan 0.000 0.442 898 N N -0.573 117.998 118.700 -0.215 0.000 2.061 898 N HA -0.244 4.496 4.740 0.001 0.000 0.193 898 N C 1.894 177.340 175.510 -0.106 0.000 1.030 898 N CA 1.863 54.810 53.050 -0.170 0.000 0.856 898 N CB -0.196 38.230 38.487 -0.101 0.000 1.023 898 N HN 0.664 nan 8.380 nan 0.000 0.424 899 Q N -0.052 119.696 119.800 -0.086 0.000 2.245 899 Q HA -0.030 4.311 4.340 0.001 0.000 0.201 899 Q C 2.111 178.039 176.000 -0.120 0.000 0.955 899 Q CA 0.551 56.311 55.803 -0.073 0.000 0.870 899 Q CB 0.076 28.784 28.738 -0.051 0.000 0.945 899 Q HN 0.491 nan 8.270 nan 0.000 0.461 900 M N 0.257 119.747 119.600 -0.183 0.000 2.159 900 M HA -0.145 4.335 4.480 0.001 0.000 0.263 900 M C 1.250 177.351 176.300 -0.331 0.000 1.063 900 M CA 1.406 56.505 55.300 -0.336 0.000 1.110 900 M CB 0.224 32.585 32.600 -0.398 0.000 1.374 900 M HN 0.173 nan 8.290 nan 0.000 0.411 901 L N -0.233 120.887 121.223 -0.172 0.000 2.612 901 L HA 0.217 4.557 4.340 0.001 0.000 0.230 901 L C 0.848 177.758 176.870 0.065 0.000 1.140 901 L CA 0.296 55.135 54.840 -0.001 0.000 0.896 901 L CB -0.273 41.752 42.059 -0.057 0.000 1.065 901 L HN 0.651 nan 8.230 nan 0.000 0.447 902 G N 0.422 109.217 108.800 -0.008 0.000 2.255 902 G HA2 -0.255 3.706 3.960 0.001 0.000 0.239 902 G HA3 -0.255 3.706 3.960 0.001 0.000 0.239 902 G C -0.064 174.844 174.900 0.013 0.000 1.083 902 G CA -0.070 45.034 45.100 0.007 0.000 0.826 902 G HN 0.453 nan 8.290 nan 0.000 0.493 903 D N -1.501 118.904 120.400 0.008 0.000 4.201 903 D HA -0.142 4.498 4.640 0.001 0.000 0.238 903 D C 0.517 176.886 176.300 0.114 0.000 1.070 903 D CA 1.370 55.401 54.000 0.052 0.000 1.208 903 D CB -0.782 40.055 40.800 0.061 0.000 0.825 903 D HN 0.798 nan 8.370 nan 0.000 0.404 904 L N 2.814 124.073 121.223 0.059 0.000 2.334 904 L HA 0.583 4.923 4.340 0.001 0.000 0.272 904 L C 0.703 177.570 176.870 -0.005 0.000 1.020 904 L CA -1.469 53.407 54.840 0.060 0.000 0.812 904 L CB 1.239 43.283 42.059 -0.024 0.000 1.264 904 L HN 0.181 nan 8.230 nan 0.000 0.439 905 I N 1.946 122.510 120.570 -0.010 0.000 2.505 905 I HA 0.065 4.235 4.170 0.001 0.000 0.287 905 I C 0.008 176.124 176.117 -0.002 0.000 1.104 905 I CA 0.308 61.556 61.300 -0.087 0.000 1.387 905 I CB -0.122 37.863 38.000 -0.025 0.000 1.404 905 I HN 0.372 nan 8.210 nan 0.000 0.528 906 K N 6.438 126.836 120.400 -0.004 0.000 2.354 906 K HA 0.607 4.928 4.320 0.001 0.000 0.257 906 K C -0.875 175.761 176.600 0.058 0.000 1.062 906 K CA -0.371 55.937 56.287 0.035 0.000 0.971 906 K CB 1.026 33.572 32.500 0.076 0.000 1.305 906 K HN 0.457 nan 8.250 nan 0.000 0.449 907 V N -0.322 119.649 119.914 0.095 0.000 3.105 907 V HA 0.406 4.526 4.120 0.001 0.000 0.311 907 V C 0.079 176.288 176.094 0.191 0.000 1.287 907 V CA -1.283 61.088 62.300 0.119 0.000 1.066 907 V CB 1.862 33.771 31.823 0.144 0.000 1.105 907 V HN 0.525 nan 8.190 nan 0.000 0.462 908 T N 3.112 117.822 114.554 0.260 0.000 2.901 908 T HA 0.230 4.581 4.350 0.001 0.000 0.301 908 T C -1.620 173.251 174.700 0.285 0.000 1.012 908 T CA -0.532 61.731 62.100 0.273 0.000 1.135 908 T CB 1.255 70.314 68.868 0.318 0.000 0.936 908 T HN 0.702 nan 8.240 nan 0.000 0.539 909 P HA -0.062 nan 4.420 nan 0.000 0.231 909 P C 1.724 179.066 177.300 0.069 0.000 1.168 909 P CA 0.528 63.719 63.100 0.152 0.000 0.779 909 P CB 0.031 31.821 31.700 0.150 0.000 0.844 910 S N 1.454 117.190 115.700 0.059 0.000 2.380 910 S HA -0.236 4.235 4.470 0.001 0.000 0.229 910 S C 2.221 176.765 174.600 -0.093 0.000 1.043 910 S CA 2.292 60.458 58.200 -0.057 0.000 1.038 910 S CB -1.819 61.368 63.200 -0.021 0.000 0.872 910 S HN 0.374 nan 8.310 nan 0.000 0.456 911 S N 2.476 118.177 115.700 0.002 0.000 2.370 911 S HA -0.200 4.271 4.470 0.001 0.000 0.226 911 S C 1.902 176.513 174.600 0.018 0.000 1.033 911 S CA 1.432 59.655 58.200 0.037 0.000 1.011 911 S CB -0.755 62.516 63.200 0.118 0.000 0.852 911 S HN 0.709 nan 8.310 nan 0.000 0.457 912 K N 0.733 121.144 120.400 0.019 0.000 2.103 912 K HA -0.096 4.224 4.320 0.001 0.000 0.207 912 K C 1.977 178.541 176.600 -0.061 0.000 1.048 912 K CA 1.616 57.899 56.287 -0.006 0.000 0.930 912 K CB -0.285 32.203 32.500 -0.019 0.000 0.716 912 K HN 0.373 nan 8.250 nan 0.000 0.444 913 I N 0.822 121.319 120.570 -0.122 0.000 2.163 913 I HA -0.224 3.946 4.170 0.001 0.000 0.240 913 I C 2.369 178.350 176.117 -0.227 0.000 1.081 913 I CA 1.013 62.196 61.300 -0.195 0.000 1.353 913 I CB -1.299 36.482 38.000 -0.365 0.000 1.054 913 I HN 0.011 nan 8.210 nan 0.000 0.407 914 V N 1.730 121.457 119.914 -0.312 0.000 2.252 914 V HA -0.252 3.869 4.120 0.001 0.000 0.249 914 V C 2.743 178.597 176.094 -0.400 0.000 1.056 914 V CA 2.286 64.318 62.300 -0.446 0.000 1.022 914 V CB -1.717 29.678 31.823 -0.714 0.000 0.641 914 V HN 0.552 nan 8.190 nan 0.000 0.445 915 G N -0.695 107.953 108.800 -0.254 0.000 2.432 915 G HA2 -0.238 3.723 3.960 0.001 0.000 0.219 915 G HA3 -0.238 3.723 3.960 0.001 0.000 0.219 915 G C 1.213 176.130 174.900 0.027 0.000 1.135 915 G CA 0.981 46.088 45.100 0.011 0.000 0.767 915 G HN 0.516 nan 8.290 nan 0.000 0.550 916 D N -0.204 120.192 120.400 -0.007 0.000 2.183 916 D HA -0.042 4.599 4.640 0.001 0.000 0.203 916 D C 2.316 178.666 176.300 0.084 0.000 0.969 916 D CA 0.347 54.369 54.000 0.036 0.000 0.842 916 D CB -0.047 40.757 40.800 0.006 0.000 0.957 916 D HN 0.304 nan 8.370 nan 0.000 0.484 917 L N 0.424 121.668 121.223 0.035 0.000 2.179 917 L HA 0.161 4.501 4.340 0.001 0.000 0.208 917 L C 1.972 178.931 176.870 0.148 0.000 1.096 917 L CA 1.130 56.040 54.840 0.117 0.000 0.779 917 L CB -0.545 41.533 42.059 0.031 0.000 0.922 917 L HN -0.076 nan 8.230 nan 0.000 0.443 918 A N -0.271 122.577 122.820 0.046 0.000 1.845 918 A HA -0.257 4.064 4.320 0.001 0.000 0.215 918 A C 2.236 179.872 177.584 0.086 0.000 1.195 918 A CA 1.782 53.849 52.037 0.051 0.000 0.616 918 A CB -0.973 18.051 19.000 0.041 0.000 0.832 918 A HN 0.652 nan 8.150 nan 0.000 0.443 919 Q N -1.009 118.851 119.800 0.100 0.000 2.112 919 Q HA -0.254 4.087 4.340 0.001 0.000 0.206 919 Q C 1.950 178.017 176.000 0.112 0.000 0.987 919 Q CA 2.353 58.213 55.803 0.095 0.000 0.858 919 Q CB -0.602 28.197 28.738 0.102 0.000 0.905 919 Q HN 0.587 nan 8.270 nan 0.000 0.420 920 F N 1.037 121.003 119.950 0.027 0.000 2.102 920 F HA -0.118 4.409 4.527 0.001 0.000 0.298 920 F C 2.402 178.205 175.800 0.005 0.000 1.105 920 F CA 1.793 59.806 58.000 0.022 0.000 1.239 920 F CB -0.245 38.792 39.000 0.061 0.000 0.991 920 F HN 0.026 nan 8.300 nan 0.000 0.474 921 M N -0.695 118.984 119.600 0.131 0.000 2.159 921 M HA -0.203 4.277 4.480 0.001 0.000 0.263 921 M C 1.945 178.199 176.300 -0.077 0.000 1.063 921 M CA 1.396 56.711 55.300 0.025 0.000 1.110 921 M CB -0.454 32.208 32.600 0.102 0.000 1.374 921 M HN 0.073 nan 8.290 nan 0.000 0.411 922 V N -0.679 119.202 119.914 -0.056 0.000 2.488 922 V HA -0.205 3.915 4.120 0.001 0.000 0.246 922 V C 2.028 178.058 176.094 -0.107 0.000 1.046 922 V CA 1.430 63.689 62.300 -0.067 0.000 1.053 922 V CB -0.605 31.195 31.823 -0.039 0.000 0.679 922 V HN 0.412 nan 8.190 nan 0.000 0.458 923 Q N 1.463 121.180 119.800 -0.139 0.000 2.368 923 Q HA -0.171 4.170 4.340 0.001 0.000 0.210 923 Q C 0.605 176.476 176.000 -0.215 0.000 0.982 923 Q CA 1.651 57.356 55.803 -0.162 0.000 0.884 923 Q CB -0.051 28.584 28.738 -0.171 0.000 0.933 923 Q HN 0.959 nan 8.270 nan 0.000 0.460 924 N N -3.107 115.431 118.700 -0.270 0.000 2.527 924 N HA 0.190 4.930 4.740 0.001 0.000 0.279 924 N C -0.379 175.021 175.510 -0.184 0.000 1.571 924 N CA 0.144 53.049 53.050 -0.240 0.000 0.858 924 N CB 0.304 38.596 38.487 -0.325 0.000 1.422 924 N HN 0.074 nan 8.380 nan 0.000 0.491 925 G N 0.844 109.563 108.800 -0.136 0.000 2.372 925 G HA2 -0.258 3.703 3.960 0.001 0.000 0.290 925 G HA3 -0.258 3.703 3.960 0.001 0.000 0.290 925 G C -0.672 174.186 174.900 -0.071 0.000 0.965 925 G CA 0.234 45.282 45.100 -0.087 0.000 1.263 925 G HN 0.426 nan 8.290 nan 0.000 0.498 926 L N 1.443 122.628 121.223 -0.064 0.000 2.298 926 L HA 0.496 4.836 4.340 0.001 0.000 0.284 926 L C 1.011 177.888 176.870 0.012 0.000 1.013 926 L CA -0.664 54.166 54.840 -0.017 0.000 0.824 926 L CB 1.743 43.805 42.059 0.005 0.000 1.221 926 L HN 0.457 nan 8.230 nan 0.000 0.418 927 S N 2.341 118.049 115.700 0.013 0.000 2.603 927 S HA 0.271 4.742 4.470 0.001 0.000 0.268 927 S C 1.048 175.667 174.600 0.032 0.000 1.317 927 S CA -0.650 57.559 58.200 0.015 0.000 1.012 927 S CB 1.654 64.857 63.200 0.006 0.000 0.926 927 S HN 0.751 nan 8.310 nan 0.000 0.539 928 R N 1.184 121.695 120.500 0.017 0.000 2.122 928 R HA -0.223 4.117 4.340 0.001 0.000 0.236 928 R C 2.321 178.634 176.300 0.021 0.000 1.129 928 R CA 2.042 58.146 56.100 0.007 0.000 0.925 928 R CB -1.290 28.994 30.300 -0.026 0.000 0.850 928 R HN 0.856 nan 8.270 nan 0.000 0.431 929 A N 0.600 123.430 122.820 0.016 0.000 1.940 929 A HA -0.198 4.123 4.320 0.001 0.000 0.219 929 A C 1.984 179.600 177.584 0.052 0.000 1.176 929 A CA 1.853 53.906 52.037 0.027 0.000 0.631 929 A CB -0.505 18.506 19.000 0.017 0.000 0.814 929 A HN 0.639 nan 8.150 nan 0.000 0.446 930 E N -0.566 119.665 120.200 0.050 0.000 2.152 930 E HA -0.031 4.319 4.350 0.001 0.000 0.192 930 E C 2.282 178.941 176.600 0.099 0.000 0.983 930 E CA 0.727 57.162 56.400 0.059 0.000 0.818 930 E CB -0.208 29.513 29.700 0.036 0.000 0.758 930 E HN 0.635 nan 8.360 nan 0.000 0.467 931 A N 1.653 124.552 122.820 0.133 0.000 1.929 931 A HA -0.177 4.143 4.320 0.001 0.000 0.216 931 A C 1.945 179.736 177.584 0.345 0.000 1.176 931 A CA 0.972 53.154 52.037 0.241 0.000 0.628 931 A CB -0.198 18.973 19.000 0.285 0.000 0.816 931 A HN 0.088 nan 8.150 nan 0.000 0.444 932 E N 0.167 120.516 120.200 0.249 0.000 2.058 932 E HA -0.196 4.154 4.350 0.001 0.000 0.194 932 E C 2.254 179.005 176.600 0.251 0.000 0.997 932 E CA 1.371 57.941 56.400 0.284 0.000 0.801 932 E CB -0.467 29.312 29.700 0.132 0.000 0.746 932 E HN 0.594 nan 8.360 nan 0.000 0.450 933 A N 0.885 123.802 122.820 0.162 0.000 2.014 933 A HA -0.145 4.175 4.320 0.001 0.000 0.218 933 A C 1.903 179.555 177.584 0.113 0.000 1.163 933 A CA 1.036 53.142 52.037 0.116 0.000 0.652 933 A CB -0.148 18.898 19.000 0.077 0.000 0.808 933 A HN 0.168 nan 8.150 nan 0.000 0.449 934 Q N -1.176 118.708 119.800 0.140 0.000 2.319 934 Q HA 0.339 4.680 4.340 0.001 0.000 0.209 934 Q C 1.914 178.001 176.000 0.146 0.000 0.884 934 Q CA 0.367 56.236 55.803 0.110 0.000 0.938 934 Q CB 0.090 28.874 28.738 0.077 0.000 1.098 934 Q HN 0.604 nan 8.270 nan 0.000 0.517 935 A N 1.703 124.679 122.820 0.261 0.000 2.084 935 A HA -0.289 4.032 4.320 0.001 0.000 0.221 935 A C 1.842 179.535 177.584 0.182 0.000 1.161 935 A CA 1.809 54.077 52.037 0.384 0.000 0.653 935 A CB -0.363 18.801 19.000 0.274 0.000 0.802 935 A HN 0.502 nan 8.150 nan 0.000 0.457 936 E N 0.344 120.595 120.200 0.085 0.000 2.130 936 E HA -0.201 4.149 4.350 0.001 0.000 0.196 936 E C 1.090 177.707 176.600 0.028 0.000 0.998 936 E CA 1.785 58.203 56.400 0.030 0.000 0.806 936 E CB -0.277 29.437 29.700 0.023 0.000 0.738 936 E HN 0.731 nan 8.360 nan 0.000 0.459 937 E N -0.656 119.565 120.200 0.037 0.000 2.921 937 E HA 0.227 4.578 4.350 0.001 0.000 0.203 937 E C 1.059 177.655 176.600 -0.006 0.000 0.975 937 E CA -0.126 56.283 56.400 0.014 0.000 1.225 937 E CB 0.329 30.032 29.700 0.006 0.000 1.048 937 E HN 0.173 nan 8.360 nan 0.000 0.477 938 L N 0.386 121.593 121.223 -0.027 0.000 2.156 938 L HA 0.003 4.344 4.340 0.001 0.000 0.208 938 L C 0.810 177.576 176.870 -0.175 0.000 1.095 938 L CA 0.600 55.341 54.840 -0.165 0.000 0.770 938 L CB 0.124 41.917 42.059 -0.444 0.000 0.914 938 L HN 0.097 nan 8.230 nan 0.000 0.439 939 S N -0.592 115.029 115.700 -0.131 0.000 3.551 939 S HA -0.179 4.291 4.470 0.001 0.000 0.547 939 S C -0.025 174.415 174.600 -0.266 0.000 0.699 939 S CA -0.255 57.896 58.200 -0.082 0.000 1.399 939 S CB -1.236 61.956 63.200 -0.012 0.000 0.922 939 S HN 0.166 nan 8.310 nan 0.000 0.818 940 F N 3.834 123.574 119.950 -0.350 0.000 2.362 940 F HA 0.580 5.107 4.527 0.001 0.000 0.311 940 F C -0.930 174.555 175.800 -0.524 0.000 1.161 940 F CA -1.757 55.785 58.000 -0.764 0.000 1.085 940 F CB -0.056 38.635 39.000 -0.516 0.000 1.311 940 F HN 0.270 nan 8.300 nan 0.000 0.524 941 P HA 0.032 nan 4.420 nan 0.000 0.271 941 P C 0.638 177.900 177.300 -0.064 0.000 1.238 941 P CA -0.159 62.876 63.100 -0.108 0.000 0.794 941 P CB 0.526 32.193 31.700 -0.055 0.000 0.959 942 R N 0.929 121.405 120.500 -0.040 0.000 2.073 942 R HA -0.086 4.254 4.340 0.001 0.000 0.229 942 R C 1.857 178.113 176.300 -0.073 0.000 1.120 942 R CA 2.132 58.200 56.100 -0.054 0.000 0.967 942 R CB -0.674 29.607 30.300 -0.032 0.000 0.862 942 R HN 0.610 nan 8.270 nan 0.000 0.436 943 S N 0.094 115.765 115.700 -0.048 0.000 2.402 943 S HA -0.102 4.369 4.470 0.001 0.000 0.229 943 S C 2.033 176.620 174.600 -0.022 0.000 1.021 943 S CA 1.116 59.293 58.200 -0.038 0.000 0.974 943 S CB -0.538 62.646 63.200 -0.027 0.000 0.800 943 S HN 0.212 nan 8.310 nan 0.000 0.484 944 V N 2.660 122.553 119.914 -0.035 0.000 2.453 944 V HA -0.089 4.032 4.120 0.001 0.000 0.247 944 V C 2.406 178.504 176.094 0.007 0.000 1.048 944 V CA 1.667 63.962 62.300 -0.008 0.000 1.049 944 V CB -0.276 31.513 31.823 -0.058 0.000 0.672 944 V HN 0.565 nan 8.190 nan 0.000 0.457 945 V N -2.190 117.669 119.914 -0.091 0.000 2.719 945 V HA -0.080 4.040 4.120 0.001 0.000 0.252 945 V C 2.293 178.256 176.094 -0.218 0.000 1.065 945 V CA 1.878 64.081 62.300 -0.161 0.000 1.086 945 V CB -0.984 30.744 31.823 -0.159 0.000 0.700 945 V HN 0.587 nan 8.190 nan 0.000 0.467 946 E N 0.175 120.223 120.200 -0.253 0.000 2.106 946 E HA -0.120 4.231 4.350 0.001 0.000 0.192 946 E C 1.905 178.368 176.600 -0.229 0.000 0.984 946 E CA 1.434 57.535 56.400 -0.498 0.000 0.806 946 E CB -0.244 29.090 29.700 -0.609 0.000 0.750 946 E HN 0.711 nan 8.360 nan 0.000 0.458 947 F N 1.670 121.525 119.950 -0.159 0.000 2.069 947 F HA -0.198 4.329 4.527 0.001 0.000 0.298 947 F C 1.849 177.653 175.800 0.006 0.000 1.113 947 F CA 1.415 59.406 58.000 -0.015 0.000 1.214 947 F CB -0.282 38.726 39.000 0.013 0.000 0.978 947 F HN -0.108 nan 8.300 nan 0.000 0.474 948 L N 0.073 121.068 121.223 -0.380 0.000 2.549 948 L HA -0.112 4.228 4.340 0.001 0.000 0.229 948 L C 1.986 178.387 176.870 -0.782 0.000 1.158 948 L CA 0.756 55.142 54.840 -0.757 0.000 0.842 948 L CB -0.673 41.126 42.059 -0.433 0.000 0.952 948 L HN 0.333 nan 8.230 nan 0.000 0.452 949 Q N -0.207 119.332 119.800 -0.435 0.000 2.408 949 Q HA 0.148 4.489 4.340 0.001 0.000 0.205 949 Q C 1.249 177.179 176.000 -0.117 0.000 0.919 949 Q CA 0.521 56.170 55.803 -0.257 0.000 0.932 949 Q CB 0.637 29.309 28.738 -0.110 0.000 1.058 949 Q HN 0.509 nan 8.270 nan 0.000 0.517 950 G N 0.447 109.186 108.800 -0.101 0.000 2.165 950 G HA2 -0.273 3.688 3.960 0.001 0.000 0.226 950 G HA3 -0.273 3.688 3.960 0.001 0.000 0.226 950 G C 0.064 175.042 174.900 0.131 0.000 1.035 950 G CA -0.073 45.047 45.100 0.034 0.000 0.744 950 G HN 0.293 nan 8.290 nan 0.000 0.501 951 Y N -0.593 119.675 120.300 -0.053 0.000 2.421 951 Y HA 0.226 4.776 4.550 0.001 0.000 0.292 951 Y C 2.581 178.473 175.900 -0.013 0.000 1.136 951 Y CA 1.462 59.543 58.100 -0.033 0.000 1.255 951 Y CB 0.015 38.459 38.460 -0.027 0.000 0.991 951 Y HN 0.506 nan 8.280 nan 0.000 0.552 952 I N -2.014 118.660 120.570 0.173 0.000 4.288 952 I HA 0.323 4.493 4.170 0.001 0.000 0.331 952 I C 0.976 177.117 176.117 0.040 0.000 1.322 952 I CA 0.488 61.867 61.300 0.132 0.000 1.149 952 I CB 0.564 38.698 38.000 0.224 0.000 1.112 952 I HN 0.128 nan 8.210 nan 0.000 0.403 953 G N 0.771 109.542 108.800 -0.048 0.000 2.409 953 G HA2 -0.074 3.887 3.960 0.001 0.000 0.421 953 G HA3 -0.074 3.887 3.960 0.001 0.000 0.421 953 G C -1.073 173.574 174.900 -0.421 0.000 1.259 953 G CA -0.824 44.062 45.100 -0.357 0.000 1.011 953 G HN -0.175 nan 8.290 nan 0.000 0.497 954 V N 3.160 122.558 119.914 -0.861 0.000 2.347 954 V HA 0.596 4.716 4.120 0.001 0.000 0.280 954 V C -1.520 174.285 176.094 -0.482 0.000 1.021 954 V CA -0.862 61.051 62.300 -0.644 0.000 0.847 954 V CB 1.576 33.160 31.823 -0.398 0.000 0.990 954 V HN 0.738 nan 8.190 nan 0.000 0.444 955 P HA 0.141 nan 4.420 nan 0.000 0.276 955 P C -0.365 176.896 177.300 -0.065 0.000 1.244 955 P CA -0.370 62.648 63.100 -0.137 0.000 0.801 955 P CB 0.629 32.261 31.700 -0.113 0.000 1.006 956 H N 0.271 119.352 119.070 0.019 0.000 2.897 956 H HA 0.163 4.719 4.556 0.001 0.000 0.347 956 H C 1.297 176.561 175.328 -0.107 0.000 1.068 956 H CA 2.187 58.238 56.048 0.006 0.000 1.426 956 H CB 0.097 29.910 29.762 0.085 0.000 1.410 956 H HN 0.814 nan 8.280 nan 0.000 0.597 957 G N 3.010 111.395 108.800 -0.692 0.000 3.675 957 G HA2 -0.122 3.838 3.960 0.001 0.000 0.275 957 G HA3 -0.122 3.838 3.960 0.001 0.000 0.275 957 G C 0.349 175.080 174.900 -0.282 0.000 1.648 957 G CA 0.219 45.064 45.100 -0.425 0.000 1.093 957 G HN 1.403 nan 8.290 nan 0.000 0.617 958 G N -1.718 106.940 108.800 -0.237 0.000 2.335 958 G HA2 0.579 4.539 3.960 0.001 0.000 0.291 958 G HA3 0.579 4.539 3.960 0.001 0.000 0.291 958 G C -1.270 173.453 174.900 -0.295 0.000 1.261 958 G CA -0.190 44.757 45.100 -0.255 0.000 0.871 958 G HN 0.946 nan 8.290 nan 0.000 0.491 959 F N 2.376 122.288 119.950 -0.063 0.000 2.410 959 F HA 0.406 4.934 4.527 0.001 0.000 0.348 959 F C -1.360 174.439 175.800 -0.001 0.000 1.106 959 F CA -1.537 56.437 58.000 -0.043 0.000 1.163 959 F CB 1.470 40.406 39.000 -0.106 0.000 1.129 959 F HN 0.021 nan 8.300 nan 0.000 0.516 960 P HA -0.047 nan 4.420 nan 0.000 0.259 960 P C 0.189 177.591 177.300 0.170 0.000 1.211 960 P CA 0.328 63.510 63.100 0.136 0.000 0.810 960 P CB 1.005 32.765 31.700 0.101 0.000 0.815 961 E N 6.820 127.088 120.200 0.113 0.000 2.006 961 E HA -0.115 4.236 4.350 0.001 0.000 0.192 961 E C -0.656 175.995 176.600 0.085 0.000 0.993 961 E CA 1.554 58.008 56.400 0.091 0.000 0.808 961 E CB -1.747 27.985 29.700 0.054 0.000 0.764 961 E HN 0.355 nan 8.360 nan 0.000 0.449 962 P HA -0.163 nan 4.420 nan 0.000 0.220 962 P C 1.267 178.638 177.300 0.119 0.000 1.144 962 P CA 1.009 64.156 63.100 0.078 0.000 0.800 962 P CB -0.139 31.607 31.700 0.076 0.000 0.772 963 F N 1.206 121.144 119.950 -0.019 0.000 2.074 963 F HA 0.029 4.556 4.527 0.001 0.000 0.290 963 F C 2.749 178.501 175.800 -0.081 0.000 1.118 963 F CA 0.989 58.964 58.000 -0.042 0.000 1.199 963 F CB -0.754 38.223 39.000 -0.039 0.000 1.012 963 F HN -0.335 nan 8.300 nan 0.000 0.472 964 R N 0.199 120.674 120.500 -0.043 0.000 2.133 964 R HA -0.215 4.126 4.340 0.001 0.000 0.245 964 R C 2.284 178.421 176.300 -0.272 0.000 1.137 964 R CA 2.290 58.256 56.100 -0.223 0.000 0.947 964 R CB -0.817 29.388 30.300 -0.159 0.000 0.865 964 R HN 0.344 nan 8.270 nan 0.000 0.437 965 S N 0.867 116.465 115.700 -0.170 0.000 2.359 965 S HA -0.161 4.309 4.470 0.001 0.000 0.224 965 S C 1.420 175.926 174.600 -0.156 0.000 1.035 965 S CA 1.914 60.027 58.200 -0.146 0.000 1.018 965 S CB -0.147 63.002 63.200 -0.085 0.000 0.876 965 S HN 0.512 nan 8.310 nan 0.000 0.448 966 K N 1.047 121.351 120.400 -0.161 0.000 2.520 966 K HA 0.272 4.592 4.320 0.001 0.000 0.205 966 K C 0.658 177.141 176.600 -0.195 0.000 1.035 966 K CA 0.124 56.329 56.287 -0.137 0.000 1.188 966 K CB 0.213 32.668 32.500 -0.075 0.000 0.894 966 K HN 0.185 nan 8.250 nan 0.000 0.497 967 V N 0.543 120.276 119.914 -0.302 0.000 2.788 967 V HA -0.029 4.091 4.120 0.001 0.000 0.241 967 V C 1.913 177.881 176.094 -0.210 0.000 1.083 967 V CA 0.467 62.578 62.300 -0.314 0.000 1.103 967 V CB -0.189 31.281 31.823 -0.587 0.000 0.800 967 V HN 0.246 nan 8.190 nan 0.000 0.476 968 L N 0.618 121.709 121.223 -0.220 0.000 2.071 968 L HA 0.044 4.384 4.340 0.001 0.000 0.201 968 L C 2.151 178.947 176.870 -0.124 0.000 1.076 968 L CA 1.564 56.298 54.840 -0.176 0.000 0.755 968 L CB -0.764 41.172 42.059 -0.204 0.000 0.915 968 L HN 0.433 nan 8.230 nan 0.000 0.445 969 K N -1.252 119.078 120.400 -0.117 0.000 3.686 969 K HA -0.365 3.955 4.320 0.001 0.000 0.314 969 K C 0.190 176.750 176.600 -0.066 0.000 0.792 969 K CA 2.424 58.661 56.287 -0.083 0.000 1.352 969 K CB -1.629 30.829 32.500 -0.070 0.000 1.444 969 K HN 0.442 nan 8.250 nan 0.000 0.456 970 D N 0.237 120.598 120.400 -0.066 0.000 2.755 970 D HA 0.304 4.944 4.640 0.001 0.000 0.293 970 D C -0.611 175.658 176.300 -0.051 0.000 1.642 970 D CA -0.122 53.847 54.000 -0.051 0.000 0.825 970 D CB 0.426 41.203 40.800 -0.039 0.000 1.303 970 D HN 0.192 nan 8.370 nan 0.000 0.434 971 L N 2.138 123.321 121.223 -0.067 0.000 2.329 971 L HA 0.481 4.822 4.340 0.001 0.000 0.279 971 L C -2.080 174.755 176.870 -0.058 0.000 1.014 971 L CA -1.704 53.098 54.840 -0.062 0.000 0.814 971 L CB 1.559 43.568 42.059 -0.084 0.000 1.257 971 L HN -0.241 nan 8.230 nan 0.000 0.424 972 P HA 0.136 nan 4.420 nan 0.000 0.264 972 P C -0.830 176.458 177.300 -0.019 0.000 1.193 972 P CA 0.049 63.138 63.100 -0.018 0.000 0.763 972 P CB 0.583 32.288 31.700 0.009 0.000 0.810 973 R N 1.328 121.800 120.500 -0.047 0.000 2.607 973 R HA 0.598 4.938 4.340 0.001 0.000 0.261 973 R C -0.477 175.804 176.300 -0.031 0.000 1.051 973 R CA -1.174 54.886 56.100 -0.066 0.000 1.110 973 R CB 0.925 31.154 30.300 -0.118 0.000 1.158 973 R HN 0.224 nan 8.270 nan 0.000 0.543 974 V N 1.621 121.518 119.914 -0.028 0.000 2.384 974 V HA 0.170 4.290 4.120 0.001 0.000 0.287 974 V C -0.101 175.987 176.094 -0.009 0.000 1.020 974 V CA -0.620 61.667 62.300 -0.022 0.000 0.850 974 V CB 1.326 33.134 31.823 -0.026 0.000 0.987 974 V HN 0.660 nan 8.190 nan 0.000 0.436 975 E N 3.545 123.744 120.200 -0.002 0.000 2.152 975 E HA 0.512 4.862 4.350 0.001 0.000 0.285 975 E C 0.944 177.571 176.600 0.045 0.000 1.043 975 E CA 0.698 57.110 56.400 0.020 0.000 0.839 975 E CB 1.299 31.008 29.700 0.014 0.000 1.069 975 E HN 0.978 nan 8.360 nan 0.000 0.399 976 G N 4.314 113.160 108.800 0.075 0.000 2.536 976 G HA2 -0.358 3.602 3.960 0.001 0.000 0.277 976 G HA3 -0.358 3.602 3.960 0.001 0.000 0.277 976 G C -0.013 175.006 174.900 0.198 0.000 1.155 976 G CA 0.065 45.257 45.100 0.154 0.000 0.960 976 G HN 0.576 nan 8.290 nan 0.000 0.544 977 R N 1.905 122.526 120.500 0.201 0.000 2.265 977 R HA 0.528 4.868 4.340 0.001 0.000 0.319 977 R C -1.333 175.021 176.300 0.090 0.000 1.006 977 R CA -1.179 55.048 56.100 0.212 0.000 0.880 977 R CB 1.441 31.842 30.300 0.167 0.000 1.077 977 R HN 0.260 nan 8.270 nan 0.000 0.454 978 P HA -0.062 nan 4.420 nan 0.000 0.214 978 P C 1.003 178.289 177.300 -0.023 0.000 1.162 978 P CA 1.303 64.389 63.100 -0.023 0.000 0.879 978 P CB 0.038 31.707 31.700 -0.051 0.000 0.786 979 G N -0.079 108.727 108.800 0.010 0.000 2.549 979 G HA2 -0.285 3.675 3.960 0.001 0.000 0.222 979 G HA3 -0.285 3.675 3.960 0.001 0.000 0.222 979 G C 1.566 176.482 174.900 0.026 0.000 1.100 979 G CA 0.972 46.086 45.100 0.023 0.000 0.739 979 G HN 0.366 nan 8.290 nan 0.000 0.577 980 A N 0.982 123.817 122.820 0.024 0.000 1.898 980 A HA 0.049 4.369 4.320 0.001 0.000 0.216 980 A C 2.719 180.305 177.584 0.003 0.000 1.181 980 A CA 2.339 54.389 52.037 0.021 0.000 0.620 980 A CB -0.453 18.563 19.000 0.027 0.000 0.819 980 A HN 0.658 nan 8.150 nan 0.000 0.442 981 S N -0.686 115.006 115.700 -0.013 0.000 2.456 981 S HA 0.235 4.706 4.470 0.001 0.000 0.224 981 S C 0.610 175.189 174.600 -0.033 0.000 1.035 981 S CA -0.303 57.882 58.200 -0.025 0.000 0.940 981 S CB -0.672 62.506 63.200 -0.037 0.000 0.799 981 S HN 0.293 nan 8.310 nan 0.000 0.508 982 L N 4.508 125.705 121.223 -0.044 0.000 2.654 982 L HA 0.176 4.517 4.340 0.001 0.000 0.271 982 L C -2.080 174.781 176.870 -0.015 0.000 1.169 982 L CA -1.250 53.563 54.840 -0.044 0.000 0.947 982 L CB -0.263 41.764 42.059 -0.052 0.000 1.232 982 L HN 0.172 nan 8.230 nan 0.000 0.486 983 P HA 0.084 nan 4.420 nan 0.000 0.268 983 P C -2.465 174.841 177.300 0.009 0.000 1.205 983 P CA -1.289 61.810 63.100 -0.003 0.000 0.771 983 P CB -0.215 31.482 31.700 -0.004 0.000 0.858 984 P HA 0.007 nan 4.420 nan 0.000 0.258 984 P C -0.046 177.267 177.300 0.022 0.000 1.187 984 P CA -0.026 63.085 63.100 0.018 0.000 0.767 984 P CB 0.164 31.866 31.700 0.003 0.000 0.770 985 L N 5.244 126.489 121.223 0.037 0.000 2.410 985 L HA 0.079 4.419 4.340 0.001 0.000 0.273 985 L C 0.979 177.867 176.870 0.031 0.000 1.144 985 L CA 0.053 54.916 54.840 0.038 0.000 0.863 985 L CB -0.251 41.842 42.059 0.056 0.000 1.140 985 L HN 0.434 nan 8.230 nan 0.000 0.463 986 D N 4.745 125.160 120.400 0.025 0.000 2.443 986 D HA -0.105 4.535 4.640 0.001 0.000 0.234 986 D C 0.163 176.476 176.300 0.021 0.000 1.172 986 D CA 0.226 54.238 54.000 0.020 0.000 0.878 986 D CB 0.939 41.751 40.800 0.019 0.000 1.204 986 D HN 0.655 nan 8.370 nan 0.000 0.453 987 L N 0.146 121.378 121.223 0.015 0.000 3.298 987 L HA 0.009 4.349 4.340 0.001 0.000 0.296 987 L C 1.282 178.155 176.870 0.006 0.000 1.237 987 L CA -0.261 54.586 54.840 0.011 0.000 1.038 987 L CB 0.176 42.242 42.059 0.011 0.000 1.423 987 L HN 0.431 nan 8.230 nan 0.000 0.605 988 Q N -0.670 119.135 119.800 0.009 0.000 2.254 988 Q HA 0.287 4.627 4.340 0.001 0.000 0.259 988 Q C 1.474 177.482 176.000 0.014 0.000 0.815 988 Q CA 0.802 56.610 55.803 0.008 0.000 0.961 988 Q CB 0.546 29.286 28.738 0.004 0.000 1.140 988 Q HN 0.176 nan 8.270 nan 0.000 0.502 989 A N 1.043 123.874 122.820 0.017 0.000 2.132 989 A HA 0.148 4.468 4.320 0.001 0.000 0.213 989 A C 1.916 179.518 177.584 0.030 0.000 1.154 989 A CA 0.560 52.610 52.037 0.022 0.000 0.753 989 A CB -0.135 18.878 19.000 0.021 0.000 0.826 989 A HN 0.223 nan 8.150 nan 0.000 0.469 990 L N -0.562 120.679 121.223 0.028 0.000 2.209 990 L HA 0.106 4.447 4.340 0.001 0.000 0.207 990 L C 1.901 178.792 176.870 0.035 0.000 1.094 990 L CA 1.649 56.510 54.840 0.035 0.000 0.790 990 L CB -0.375 41.700 42.059 0.026 0.000 0.932 990 L HN 0.406 nan 8.230 nan 0.000 0.447 991 E N 0.011 120.225 120.200 0.023 0.000 2.085 991 E HA -0.259 4.091 4.350 0.001 0.000 0.194 991 E C 2.015 178.640 176.600 0.041 0.000 0.994 991 E CA 1.495 57.910 56.400 0.025 0.000 0.801 991 E CB 0.019 29.727 29.700 0.013 0.000 0.743 991 E HN 0.541 nan 8.360 nan 0.000 0.453 992 K N 0.505 120.927 120.400 0.036 0.000 2.063 992 K HA -0.189 4.131 4.320 0.001 0.000 0.208 992 K C 2.112 178.743 176.600 0.052 0.000 1.048 992 K CA 1.358 57.668 56.287 0.038 0.000 0.928 992 K CB -0.102 32.416 32.500 0.029 0.000 0.713 992 K HN 0.120 nan 8.250 nan 0.000 0.442 993 E N 0.837 121.075 120.200 0.063 0.000 2.072 993 E HA -0.117 4.233 4.350 0.001 0.000 0.191 993 E C 1.977 178.653 176.600 0.126 0.000 0.985 993 E CA 0.830 57.279 56.400 0.082 0.000 0.801 993 E CB 0.006 29.759 29.700 0.090 0.000 0.750 993 E HN 0.198 nan 8.360 nan 0.000 0.452 994 L N 0.309 121.623 121.223 0.152 0.000 2.141 994 L HA -0.140 4.200 4.340 0.001 0.000 0.209 994 L C 2.306 179.294 176.870 0.197 0.000 1.094 994 L CA 0.469 55.455 54.840 0.243 0.000 0.763 994 L CB -0.275 41.895 42.059 0.184 0.000 0.908 994 L HN 0.085 nan 8.230 nan 0.000 0.437 995 V N -0.440 119.543 119.914 0.114 0.000 2.358 995 V HA -0.272 3.848 4.120 0.001 0.000 0.246 995 V C 2.148 178.279 176.094 0.061 0.000 1.047 995 V CA 1.709 64.056 62.300 0.079 0.000 1.035 995 V CB -0.385 31.468 31.823 0.050 0.000 0.658 995 V HN 0.430 nan 8.190 nan 0.000 0.452 996 D N 0.102 120.534 120.400 0.052 0.000 2.077 996 D HA -0.123 4.517 4.640 0.001 0.000 0.197 996 D C 2.422 178.707 176.300 -0.026 0.000 0.983 996 D CA 1.415 55.425 54.000 0.017 0.000 0.841 996 D CB -0.143 40.667 40.800 0.017 0.000 0.992 996 D HN 0.363 nan 8.370 nan 0.000 0.450 997 R N -0.556 119.911 120.500 -0.055 0.000 2.096 997 R HA -0.082 4.258 4.340 0.001 0.000 0.235 997 R C 0.693 176.696 176.300 -0.495 0.000 1.127 997 R CA 0.995 56.917 56.100 -0.297 0.000 0.968 997 R CB -0.172 29.888 30.300 -0.401 0.000 0.861 997 R HN 0.357 nan 8.270 nan 0.000 0.440 998 H N -0.675 118.424 119.070 0.048 0.000 2.591 998 H HA 0.334 4.891 4.556 0.001 0.000 0.241 998 H C 0.433 175.773 175.328 0.019 0.000 1.292 998 H CA 0.098 56.162 56.048 0.026 0.000 1.022 998 H CB 0.796 30.590 29.762 0.053 0.000 1.875 998 H HN 0.404 nan 8.280 nan 0.000 0.570 999 G N 0.910 109.748 108.800 0.063 0.000 2.692 999 G HA2 -0.314 3.646 3.960 0.001 0.000 0.248 999 G HA3 -0.314 3.646 3.960 0.001 0.000 0.248 999 G C 0.871 175.805 174.900 0.057 0.000 1.340 999 G CA 0.205 45.331 45.100 0.042 0.000 0.896 999 G HN 0.411 nan 8.290 nan 0.000 0.570 1000 E N 0.269 120.492 120.200 0.038 0.000 2.140 1000 E HA 0.004 4.354 4.350 0.001 0.000 0.191 1000 E C 1.650 178.273 176.600 0.038 0.000 0.973 1000 E CA 0.723 57.143 56.400 0.034 0.000 0.829 1000 E CB 0.080 29.792 29.700 0.020 0.000 0.781 1000 E HN 0.672 nan 8.360 nan 0.000 0.466 1001 E N 1.840 122.062 120.200 0.036 0.000 2.222 1001 E HA 0.121 4.471 4.350 0.001 0.000 0.312 1001 E C -1.105 175.524 176.600 0.049 0.000 1.263 1001 E CA -0.146 56.275 56.400 0.034 0.000 1.356 1001 E CB -0.029 29.686 29.700 0.025 0.000 1.180 1001 E HN -0.193 nan 8.360 nan 0.000 0.494 1002 V N 3.119 123.066 119.914 0.055 0.000 2.409 1002 V HA 0.186 4.306 4.120 0.001 0.000 0.291 1002 V C 0.495 176.610 176.094 0.036 0.000 1.020 1002 V CA -0.793 61.550 62.300 0.072 0.000 0.848 1002 V CB 1.630 33.516 31.823 0.105 0.000 0.990 1002 V HN 0.528 nan 8.190 nan 0.000 0.430 1003 T N 3.435 118.003 114.554 0.024 0.000 2.849 1003 T HA 0.350 4.701 4.350 0.001 0.000 0.284 1003 T C -1.412 173.243 174.700 -0.076 0.000 1.004 1003 T CA -1.654 60.428 62.100 -0.030 0.000 1.021 1003 T CB 1.510 70.352 68.868 -0.043 0.000 1.013 1003 T HN 0.462 nan 8.240 nan 0.000 0.527 1004 P HA -0.078 nan 4.420 nan 0.000 0.219 1004 P C 1.332 178.459 177.300 -0.289 0.000 1.150 1004 P CA 0.933 63.940 63.100 -0.155 0.000 0.814 1004 P CB 0.090 31.709 31.700 -0.135 0.000 0.787 1005 E N 0.991 120.915 120.200 -0.461 0.000 2.065 1005 E HA -0.228 4.122 4.350 0.001 0.000 0.201 1005 E C 1.638 177.869 176.600 -0.615 0.000 1.016 1005 E CA 1.258 57.059 56.400 -0.998 0.000 0.818 1005 E CB -1.402 27.637 29.700 -1.103 0.000 0.749 1005 E HN 0.304 nan 8.360 nan 0.000 0.453 1006 D N 1.094 121.357 120.400 -0.228 0.000 2.106 1006 D HA -0.140 4.501 4.640 0.001 0.000 0.191 1006 D C 2.269 178.435 176.300 -0.224 0.000 0.997 1006 D CA 1.350 55.334 54.000 -0.028 0.000 0.834 1006 D CB -0.436 40.449 40.800 0.141 0.000 0.956 1006 D HN 0.043 nan 8.370 nan 0.000 0.448 1007 V N 1.322 121.134 119.914 -0.170 0.000 2.250 1007 V HA -0.270 3.850 4.120 0.001 0.000 0.250 1007 V C 2.699 178.733 176.094 -0.099 0.000 1.060 1007 V CA 1.445 63.660 62.300 -0.142 0.000 1.030 1007 V CB -0.596 31.178 31.823 -0.082 0.000 0.643 1007 V HN 0.240 nan 8.190 nan 0.000 0.445 1008 L N -0.208 121.005 121.223 -0.017 0.000 2.201 1008 L HA -0.123 4.217 4.340 0.001 0.000 0.212 1008 L C 2.513 179.545 176.870 0.271 0.000 1.105 1008 L CA 1.343 56.276 54.840 0.155 0.000 0.775 1008 L CB -0.469 41.769 42.059 0.297 0.000 0.913 1008 L HN 0.359 nan 8.230 nan 0.000 0.440 1009 S N 0.056 115.937 115.700 0.302 0.000 2.371 1009 S HA -0.078 4.392 4.470 0.001 0.000 0.224 1009 S C 2.224 176.884 174.600 0.101 0.000 1.029 1009 S CA 1.007 59.469 58.200 0.437 0.000 0.978 1009 S CB -0.194 63.352 63.200 0.577 0.000 0.833 1009 S HN 0.484 nan 8.310 nan 0.000 0.466 1010 A N 1.716 124.315 122.820 -0.369 0.000 1.972 1010 A HA 0.162 4.482 4.320 0.001 0.000 0.219 1010 A C 2.327 179.902 177.584 -0.016 0.000 1.169 1010 A CA 1.577 53.447 52.037 -0.279 0.000 0.635 1010 A CB -0.999 17.724 19.000 -0.462 0.000 0.810 1010 A HN 0.499 nan 8.150 nan 0.000 0.446 1011 A N -0.743 122.064 122.820 -0.021 0.000 1.877 1011 A HA -0.112 4.208 4.320 0.001 0.000 0.216 1011 A C 2.224 179.796 177.584 -0.021 0.000 1.186 1011 A CA 1.907 53.947 52.037 0.004 0.000 0.620 1011 A CB -0.451 18.542 19.000 -0.012 0.000 0.822 1011 A HN 0.433 nan 8.150 nan 0.000 0.443 1012 M N -2.265 117.294 119.600 -0.069 0.000 2.123 1012 M HA -0.007 4.474 4.480 0.001 0.000 0.263 1012 M C 0.057 176.204 176.300 -0.255 0.000 1.069 1012 M CA 1.429 56.568 55.300 -0.269 0.000 1.133 1012 M CB -0.689 31.795 32.600 -0.193 0.000 1.356 1012 M HN 0.453 nan 8.290 nan 0.000 0.415 1013 Y N -0.645 119.760 120.300 0.176 0.000 2.490 1013 Y HA 0.229 4.780 4.550 0.001 0.000 0.346 1013 Y C -1.631 174.419 175.900 0.249 0.000 1.023 1013 Y CA -1.774 56.455 58.100 0.216 0.000 1.142 1013 Y CB 0.139 38.735 38.460 0.228 0.000 1.126 1013 Y HN 0.104 nan 8.280 nan 0.000 0.647 1014 P HA -0.256 nan 4.420 nan 0.000 0.217 1014 P C 0.861 178.382 177.300 0.367 0.000 1.158 1014 P CA 1.941 65.215 63.100 0.289 0.000 0.887 1014 P CB 0.631 32.456 31.700 0.209 0.000 0.792 1015 D N -1.552 119.049 120.400 0.334 0.000 2.271 1015 D HA -0.043 4.597 4.640 0.001 0.000 0.206 1015 D C 1.948 178.461 176.300 0.354 0.000 0.967 1015 D CA 0.177 54.378 54.000 0.336 0.000 0.867 1015 D CB -0.088 40.858 40.800 0.243 0.000 0.960 1015 D HN -0.171 nan 8.370 nan 0.000 0.509 1016 V N 0.312 120.420 119.914 0.323 0.000 2.379 1016 V HA -0.151 3.969 4.120 0.001 0.000 0.245 1016 V C 1.916 178.219 176.094 0.348 0.000 1.044 1016 V CA 1.221 63.657 62.300 0.227 0.000 1.036 1016 V CB -0.525 31.336 31.823 0.063 0.000 0.664 1016 V HN 0.284 nan 8.190 nan 0.000 0.453 1017 F N 1.310 121.438 119.950 0.296 0.000 2.134 1017 F HA -0.161 4.366 4.527 0.001 0.000 0.299 1017 F C 2.267 178.243 175.800 0.294 0.000 1.097 1017 F CA 1.524 59.726 58.000 0.337 0.000 1.264 1017 F CB -0.337 38.839 39.000 0.293 0.000 1.001 1017 F HN 0.092 nan 8.300 nan 0.000 0.479 1018 A N -0.275 122.781 122.820 0.394 0.000 1.877 1018 A HA -0.234 4.086 4.320 0.001 0.000 0.216 1018 A C 2.146 179.862 177.584 0.221 0.000 1.186 1018 A CA 1.898 54.117 52.037 0.304 0.000 0.620 1018 A CB -1.425 17.805 19.000 0.382 0.000 0.822 1018 A HN 0.611 nan 8.150 nan 0.000 0.443 1019 H N -2.562 116.633 119.070 0.209 0.000 2.457 1019 H HA -0.111 4.445 4.556 0.001 0.000 0.294 1019 H C 1.933 177.442 175.328 0.301 0.000 1.064 1019 H CA 1.597 57.782 56.048 0.229 0.000 1.330 1019 H CB -0.152 29.742 29.762 0.221 0.000 1.395 1019 H HN 0.609 nan 8.280 nan 0.000 0.541 1020 F N 2.418 122.480 119.950 0.186 0.000 2.060 1020 F HA -0.121 4.406 4.527 0.001 0.000 0.295 1020 F C 2.173 177.999 175.800 0.042 0.000 1.120 1020 F CA 1.204 59.287 58.000 0.139 0.000 1.205 1020 F CB -0.269 38.719 39.000 -0.020 0.000 0.986 1020 F HN -0.218 nan 8.300 nan 0.000 0.470 1021 K N 0.518 120.589 120.400 -0.547 0.000 2.281 1021 K HA -0.154 4.167 4.320 0.001 0.000 0.203 1021 K C 1.567 178.028 176.600 -0.233 0.000 1.046 1021 K CA 1.401 57.291 56.287 -0.661 0.000 0.938 1021 K CB -0.649 31.322 32.500 -0.881 0.000 0.737 1021 K HN 0.379 nan 8.250 nan 0.000 0.458 1022 D N -0.521 119.840 120.400 -0.065 0.000 2.249 1022 D HA -0.069 4.571 4.640 0.001 0.000 0.205 1022 D C 1.556 177.823 176.300 -0.056 0.000 0.962 1022 D CA 0.350 54.326 54.000 -0.041 0.000 0.860 1022 D CB -0.164 40.614 40.800 -0.036 0.000 0.955 1022 D HN 0.114 nan 8.370 nan 0.000 0.505 1023 F N 1.627 121.503 119.950 -0.124 0.000 2.128 1023 F HA -0.165 4.362 4.527 0.001 0.000 0.295 1023 F C 2.255 177.976 175.800 -0.131 0.000 1.100 1023 F CA 1.768 59.690 58.000 -0.130 0.000 1.260 1023 F CB -0.429 38.425 39.000 -0.243 0.000 1.009 1023 F HN -0.073 nan 8.300 nan 0.000 0.476 1024 T N -1.275 113.297 114.554 0.030 0.000 3.113 1024 T HA 0.102 4.453 4.350 0.001 0.000 0.263 1024 T C 1.917 176.511 174.700 -0.177 0.000 1.143 1024 T CA 0.592 62.647 62.100 -0.074 0.000 1.090 1024 T CB -0.682 68.096 68.868 -0.150 0.000 0.922 1024 T HN 0.303 nan 8.240 nan 0.000 0.521 1025 A N 2.054 124.747 122.820 -0.211 0.000 1.854 1025 A HA 0.026 4.346 4.320 0.001 0.000 0.214 1025 A C 2.598 179.997 177.584 -0.307 0.000 1.192 1025 A CA 1.712 53.622 52.037 -0.211 0.000 0.611 1025 A CB -1.276 17.618 19.000 -0.176 0.000 0.832 1025 A HN 0.480 nan 8.150 nan 0.000 0.442 1026 T N -0.833 113.429 114.554 -0.486 0.000 2.737 1026 T HA -0.031 4.319 4.350 0.001 0.000 0.265 1026 T C 1.133 175.355 174.700 -0.798 0.000 1.038 1026 T CA 1.571 63.202 62.100 -0.781 0.000 1.144 1026 T CB -0.348 67.780 68.868 -1.234 0.000 0.866 1026 T HN 0.447 nan 8.240 nan 0.000 0.434 1027 F N 0.606 120.294 119.950 -0.438 0.000 2.678 1027 F HA 0.443 4.970 4.527 0.001 0.000 0.305 1027 F C 1.645 177.305 175.800 -0.234 0.000 1.090 1027 F CA -0.245 57.535 58.000 -0.367 0.000 1.272 1027 F CB 0.161 38.767 39.000 -0.657 0.000 1.060 1027 F HN 0.341 nan 8.300 nan 0.000 0.576 1028 G N 1.370 110.118 108.800 -0.087 0.000 2.752 1028 G HA2 -0.240 3.721 3.960 0.001 0.000 0.234 1028 G HA3 -0.240 3.721 3.960 0.001 0.000 0.234 1028 G C -2.943 171.975 174.900 0.031 0.000 1.367 1028 G CA -1.260 43.822 45.100 -0.030 0.000 0.879 1028 G HN 0.019 nan 8.290 nan 0.000 0.563 1029 P HA 0.483 nan 4.420 nan 0.000 0.282 1029 P C 0.558 177.926 177.300 0.112 0.000 1.262 1029 P CA -0.247 62.914 63.100 0.103 0.000 0.773 1029 P CB 0.570 32.320 31.700 0.084 0.000 0.879 1030 L N 2.115 123.428 121.223 0.150 0.000 2.906 1030 L HA 0.123 4.464 4.340 0.001 0.000 0.255 1030 L C 1.247 178.156 176.870 0.065 0.000 1.166 1030 L CA 0.090 55.005 54.840 0.126 0.000 0.977 1030 L CB 0.022 42.180 42.059 0.164 0.000 1.313 1030 L HN 0.336 nan 8.230 nan 0.000 0.549 1031 D N -1.027 119.412 120.400 0.065 0.000 2.392 1031 D HA -0.094 4.546 4.640 0.001 0.000 0.228 1031 D C 1.293 177.642 176.300 0.081 0.000 1.003 1031 D CA 0.506 54.519 54.000 0.022 0.000 0.917 1031 D CB 0.259 41.095 40.800 0.061 0.000 0.890 1031 D HN 0.111 nan 8.370 nan 0.000 0.532 1032 S N -0.444 115.323 115.700 0.111 0.000 2.502 1032 S HA 0.183 4.653 4.470 0.001 0.000 0.215 1032 S C 1.029 175.749 174.600 0.201 0.000 1.009 1032 S CA -0.501 57.805 58.200 0.176 0.000 0.908 1032 S CB 0.528 63.805 63.200 0.129 0.000 0.801 1032 S HN 0.219 nan 8.310 nan 0.000 0.505 1033 L N 3.538 124.822 121.223 0.101 0.000 2.461 1033 L HA 0.177 4.517 4.340 0.001 0.000 0.272 1033 L C 0.398 177.100 176.870 -0.280 0.000 1.197 1033 L CA -0.538 54.321 54.840 0.031 0.000 0.836 1033 L CB -0.040 42.097 42.059 0.131 0.000 1.105 1033 L HN 0.320 nan 8.230 nan 0.000 0.477 1034 N N -0.262 118.204 118.700 -0.390 0.000 2.482 1034 N HA 0.066 4.807 4.740 0.001 0.000 0.260 1034 N C 0.555 175.884 175.510 -0.301 0.000 1.236 1034 N CA -0.444 52.188 53.050 -0.697 0.000 0.938 1034 N CB 0.588 38.864 38.487 -0.352 0.000 1.128 1034 N HN 0.482 nan 8.380 nan 0.000 0.448 1035 T N -0.239 114.152 114.554 -0.272 0.000 2.833 1035 T HA -0.159 4.191 4.350 0.001 0.000 0.269 1035 T C 1.611 176.280 174.700 -0.052 0.000 1.054 1035 T CA 1.043 63.077 62.100 -0.110 0.000 1.135 1035 T CB -0.304 68.440 68.868 -0.207 0.000 0.869 1035 T HN 0.578 nan 8.240 nan 0.000 0.466 1036 R N 0.518 120.950 120.500 -0.112 0.000 2.081 1036 R HA 0.004 4.344 4.340 0.001 0.000 0.235 1036 R C 2.287 178.541 176.300 -0.076 0.000 1.131 1036 R CA 1.171 57.210 56.100 -0.102 0.000 0.960 1036 R CB -0.405 29.826 30.300 -0.115 0.000 0.856 1036 R HN 0.348 nan 8.270 nan 0.000 0.436 1037 L N -0.137 121.039 121.223 -0.079 0.000 2.141 1037 L HA -0.133 4.208 4.340 0.001 0.000 0.209 1037 L C 2.200 179.118 176.870 0.080 0.000 1.094 1037 L CA 0.888 55.679 54.840 -0.081 0.000 0.763 1037 L CB -0.327 41.648 42.059 -0.140 0.000 0.908 1037 L HN 0.215 nan 8.230 nan 0.000 0.437 1038 F N 0.042 119.999 119.950 0.012 0.000 2.146 1038 F HA -0.163 4.365 4.527 0.001 0.000 0.298 1038 F C 1.933 177.847 175.800 0.190 0.000 1.096 1038 F CA 1.579 59.667 58.000 0.146 0.000 1.275 1038 F CB 0.033 39.078 39.000 0.075 0.000 1.008 1038 F HN -0.121 nan 8.300 nan 0.000 0.480 1039 L N -0.811 120.429 121.223 0.028 0.000 2.354 1039 L HA 0.059 4.399 4.340 0.001 0.000 0.212 1039 L C 2.131 178.944 176.870 -0.095 0.000 1.091 1039 L CA 0.747 55.551 54.840 -0.061 0.000 0.828 1039 L CB -0.298 41.799 42.059 0.064 0.000 0.973 1039 L HN 0.210 nan 8.230 nan 0.000 0.461 1040 Q N -0.455 119.291 119.800 -0.090 0.000 2.245 1040 Q HA 0.223 4.563 4.340 0.001 0.000 0.250 1040 Q C 0.554 176.479 176.000 -0.126 0.000 0.830 1040 Q CA 0.529 56.267 55.803 -0.109 0.000 0.950 1040 Q CB 1.353 30.030 28.738 -0.102 0.000 1.124 1040 Q HN 0.347 nan 8.270 nan 0.000 0.502 1041 G N 2.132 110.857 108.800 -0.126 0.000 2.796 1041 G HA2 -0.194 3.766 3.960 0.001 0.000 0.571 1041 G HA3 -0.194 3.766 3.960 0.001 0.000 0.571 1041 G C -2.906 171.894 174.900 -0.167 0.000 1.370 1041 G CA -0.418 44.601 45.100 -0.135 0.000 0.856 1041 G HN 0.180 nan 8.290 nan 0.000 0.538 1042 P HA 0.397 nan 4.420 nan 0.000 0.281 1042 P C -0.576 176.669 177.300 -0.092 0.000 1.249 1042 P CA -0.489 62.471 63.100 -0.232 0.000 0.810 1042 P CB 1.048 32.623 31.700 -0.209 0.000 1.008 1043 K N 1.835 122.193 120.400 -0.069 0.000 2.154 1043 K HA 0.336 4.657 4.320 0.001 0.000 0.264 1043 K C 0.753 177.361 176.600 0.014 0.000 1.008 1043 K CA -0.905 55.365 56.287 -0.028 0.000 0.937 1043 K CB 0.296 32.782 32.500 -0.024 0.000 1.002 1043 K HN 0.388 nan 8.250 nan 0.000 0.469 1044 I N 1.249 121.819 120.570 -0.001 0.000 2.815 1044 I HA -0.170 4.001 4.170 0.001 0.000 0.291 1044 I C 1.489 177.625 176.117 0.031 0.000 1.209 1044 I CA 0.969 62.273 61.300 0.007 0.000 1.431 1044 I CB -0.332 37.661 38.000 -0.012 0.000 1.351 1044 I HN 0.904 nan 8.210 nan 0.000 0.585 1045 A N 4.440 127.287 122.820 0.044 0.000 4.029 1045 A HA -0.278 4.043 4.320 0.001 0.000 0.268 1045 A C 0.916 178.550 177.584 0.083 0.000 0.943 1045 A CA 1.420 53.488 52.037 0.051 0.000 1.137 1045 A CB -1.821 17.195 19.000 0.027 0.000 1.074 1045 A HN 0.822 nan 8.150 nan 0.000 0.854 1046 E N 0.875 121.141 120.200 0.111 0.000 2.351 1046 E HA 0.222 4.572 4.350 0.001 0.000 0.266 1046 E C -0.117 176.636 176.600 0.255 0.000 1.031 1046 E CA -0.265 56.226 56.400 0.152 0.000 0.911 1046 E CB 0.285 30.063 29.700 0.130 0.000 0.986 1046 E HN 0.357 nan 8.360 nan 0.000 0.446 1047 E N 5.031 125.349 120.200 0.197 0.000 2.130 1047 E HA 0.176 4.526 4.350 0.001 0.000 0.284 1047 E C -1.101 175.649 176.600 0.250 0.000 1.018 1047 E CA -0.310 56.193 56.400 0.172 0.000 0.817 1047 E CB 0.314 30.068 29.700 0.090 0.000 1.078 1047 E HN 0.387 nan 8.360 nan 0.000 0.396 1048 F N 1.332 121.345 119.950 0.106 0.000 2.620 1048 F HA 0.601 5.128 4.527 0.001 0.000 0.320 1048 F C -0.243 175.619 175.800 0.104 0.000 1.069 1048 F CA -1.048 57.010 58.000 0.098 0.000 0.953 1048 F CB 1.184 40.230 39.000 0.078 0.000 1.322 1048 F HN -0.014 nan 8.300 nan 0.000 0.479 1049 E N 1.683 122.014 120.200 0.218 0.000 2.183 1049 E HA 0.581 4.931 4.350 0.001 0.000 0.271 1049 E C -1.410 175.273 176.600 0.139 0.000 0.919 1049 E CA -0.946 55.490 56.400 0.060 0.000 0.781 1049 E CB 2.660 32.400 29.700 0.068 0.000 1.140 1049 E HN 0.686 nan 8.360 nan 0.000 0.402 1050 V N 1.716 121.648 119.914 0.030 0.000 2.891 1050 V HA 0.352 4.472 4.120 0.001 0.000 0.304 1050 V C -1.843 174.264 176.094 0.022 0.000 1.171 1050 V CA -0.597 61.756 62.300 0.089 0.000 0.943 1050 V CB 2.203 34.142 31.823 0.193 0.000 1.037 1050 V HN 0.572 nan 8.190 nan 0.000 0.427 1051 E N 5.289 125.517 120.200 0.046 0.000 2.183 1051 E HA 0.711 5.061 4.350 0.001 0.000 0.271 1051 E C -1.214 175.417 176.600 0.051 0.000 0.919 1051 E CA -0.488 55.929 56.400 0.028 0.000 0.781 1051 E CB 1.831 31.546 29.700 0.024 0.000 1.140 1051 E HN 0.730 nan 8.360 nan 0.000 0.402 1052 L N 0.553 121.799 121.223 0.037 0.000 2.277 1052 L HA 0.425 4.766 4.340 0.001 0.000 0.284 1052 L C -0.145 176.749 176.870 0.041 0.000 1.028 1052 L CA -0.836 54.032 54.840 0.047 0.000 0.835 1052 L CB 0.466 42.549 42.059 0.041 0.000 1.215 1052 L HN 0.323 nan 8.230 nan 0.000 0.425 1053 E N 4.401 124.631 120.200 0.050 0.000 0.773 1053 E HA -0.306 4.044 4.350 0.001 0.000 0.322 1053 E C 0.417 177.037 176.600 0.034 0.000 0.646 1053 E CA 0.945 57.372 56.400 0.045 0.000 1.177 1053 E CB -0.460 29.271 29.700 0.052 0.000 0.624 1053 E HN 0.773 nan 8.360 nan 0.000 0.334 1054 R N -1.914 118.604 120.500 0.029 0.000 3.603 1054 R HA -0.170 4.170 4.340 0.001 0.000 0.479 1054 R C 0.903 177.213 176.300 0.017 0.000 0.745 1054 R CA 1.411 57.524 56.100 0.022 0.000 1.476 1054 R CB -1.653 28.660 30.300 0.021 0.000 2.147 1054 R HN 0.528 nan 8.270 nan 0.000 0.447 1055 G N 1.038 109.848 108.800 0.017 0.000 2.448 1055 G HA2 0.468 4.429 3.960 0.001 0.000 0.285 1055 G HA3 0.468 4.429 3.960 0.001 0.000 0.285 1055 G C -0.163 174.739 174.900 0.004 0.000 1.176 1055 G CA -0.647 44.459 45.100 0.010 0.000 0.852 1055 G HN -0.038 nan 8.290 nan 0.000 0.530 1056 K N -0.462 119.937 120.400 -0.003 0.000 2.143 1056 K HA 0.175 4.496 4.320 0.001 0.000 0.239 1056 K C 1.112 177.691 176.600 -0.035 0.000 1.048 1056 K CA 0.149 56.429 56.287 -0.013 0.000 0.867 1056 K CB 0.196 32.691 32.500 -0.009 0.000 1.088 1056 K HN 0.659 nan 8.250 nan 0.000 0.510 1057 T N -1.062 113.453 114.554 -0.065 0.000 2.918 1057 T HA 0.311 4.662 4.350 0.001 0.000 0.302 1057 T C 0.062 174.649 174.700 -0.189 0.000 1.045 1057 T CA -0.569 61.447 62.100 -0.140 0.000 1.114 1057 T CB 0.209 68.952 68.868 -0.209 0.000 0.965 1057 T HN 0.287 nan 8.240 nan 0.000 0.540 1058 L N 3.575 124.667 121.223 -0.219 0.000 2.345 1058 L HA 0.329 4.670 4.340 0.001 0.000 0.274 1058 L C 0.149 176.849 176.870 -0.284 0.000 0.999 1058 L CA -0.957 53.764 54.840 -0.198 0.000 0.849 1058 L CB 0.983 42.973 42.059 -0.115 0.000 1.220 1058 L HN 0.718 nan 8.230 nan 0.000 0.422 1059 H N 5.206 124.210 119.070 -0.109 0.000 2.767 1059 H HA 0.455 5.012 4.556 0.001 0.000 0.316 1059 H C -0.335 174.847 175.328 -0.242 0.000 1.059 1059 H CA 0.213 56.169 56.048 -0.153 0.000 1.461 1059 H CB 1.375 31.088 29.762 -0.082 0.000 1.475 1059 H HN 0.423 nan 8.280 nan 0.000 0.531 1060 I N 2.548 122.900 120.570 -0.362 0.000 2.647 1060 I HA 0.315 4.485 4.170 0.001 0.000 0.295 1060 I C -0.191 175.713 176.117 -0.354 0.000 1.078 1060 I CA -0.739 60.272 61.300 -0.482 0.000 1.048 1060 I CB 2.559 40.035 38.000 -0.874 0.000 1.239 1060 I HN 0.245 nan 8.210 nan 0.000 0.421 1061 K N 3.467 123.862 120.400 -0.008 0.000 2.507 1061 K HA 0.737 5.058 4.320 0.001 0.000 0.251 1061 K C -0.954 175.817 176.600 0.285 0.000 0.943 1061 K CA -0.512 55.870 56.287 0.159 0.000 0.794 1061 K CB 2.176 34.738 32.500 0.102 0.000 1.188 1061 K HN 0.741 nan 8.250 nan 0.000 0.428 1062 A N 4.662 127.667 122.820 0.310 0.000 2.409 1062 A HA 0.310 4.631 4.320 0.001 0.000 0.262 1062 A C 0.449 178.032 177.584 -0.001 0.000 1.113 1062 A CA -0.225 51.856 52.037 0.073 0.000 0.790 1062 A CB 0.062 19.102 19.000 0.067 0.000 1.046 1062 A HN 0.869 nan 8.150 nan 0.000 0.496 1063 L N 1.319 122.495 121.223 -0.078 0.000 2.433 1063 L HA 0.509 4.849 4.340 0.001 0.000 0.200 1063 L C 0.963 177.823 176.870 -0.016 0.000 1.059 1063 L CA 0.936 55.768 54.840 -0.013 0.000 0.835 1063 L CB -0.106 41.967 42.059 0.023 0.000 1.076 1063 L HN 0.809 nan 8.230 nan 0.000 0.481 1064 A N -0.350 122.466 122.820 -0.006 0.000 2.583 1064 A HA 0.563 4.884 4.320 0.001 0.000 0.292 1064 A C -1.841 175.782 177.584 0.064 0.000 1.045 1064 A CA -0.338 51.730 52.037 0.052 0.000 0.672 1064 A CB 1.692 20.746 19.000 0.090 0.000 1.283 1064 A HN -0.165 nan 8.150 nan 0.000 0.419 1065 V N 1.802 121.738 119.914 0.035 0.000 2.482 1065 V HA 0.704 4.824 4.120 0.001 0.000 0.295 1065 V C 0.293 176.411 176.094 0.039 0.000 1.026 1065 V CA 0.399 62.688 62.300 -0.019 0.000 0.856 1065 V CB 1.165 32.934 31.823 -0.089 0.000 1.001 1065 V HN 2.025 nan 8.190 nan 0.000 0.424 1066 S N 5.099 120.848 115.700 0.081 0.000 2.617 1066 S HA 0.337 4.808 4.470 0.001 0.000 0.255 1066 S C 0.105 174.727 174.600 0.037 0.000 1.318 1066 S CA -0.120 58.147 58.200 0.111 0.000 0.978 1066 S CB 0.529 63.842 63.200 0.189 0.000 0.961 1066 S HN 0.908 nan 8.310 nan 0.000 0.582 1067 D N -0.127 120.296 120.400 0.038 0.000 2.414 1067 D HA 0.258 4.898 4.640 0.001 0.000 0.259 1067 D C -0.160 176.147 176.300 0.012 0.000 1.269 1067 D CA -0.666 53.344 54.000 0.017 0.000 1.028 1067 D CB -0.115 40.694 40.800 0.016 0.000 1.093 1067 D HN 0.398 nan 8.370 nan 0.000 0.545 1068 L N 1.345 122.572 121.223 0.007 0.000 2.305 1068 L HA 0.169 4.510 4.340 0.001 0.000 0.281 1068 L C -0.014 176.862 176.870 0.010 0.000 1.085 1068 L CA -0.436 54.407 54.840 0.005 0.000 0.813 1068 L CB 0.227 42.288 42.059 0.003 0.000 1.157 1068 L HN 0.394 nan 8.230 nan 0.000 0.436 1069 N N 3.215 121.922 118.700 0.011 0.000 2.413 1069 N HA 0.206 4.947 4.740 0.001 0.000 0.266 1069 N C 0.662 176.180 175.510 0.013 0.000 1.238 1069 N CA -0.317 52.742 53.050 0.014 0.000 0.972 1069 N CB 0.409 38.906 38.487 0.016 0.000 1.210 1069 N HN 0.447 nan 8.380 nan 0.000 0.547 1070 R N -0.381 120.127 120.500 0.013 0.000 2.105 1070 R HA -0.029 4.312 4.340 0.001 0.000 0.239 1070 R C 1.674 177.983 176.300 0.014 0.000 1.135 1070 R CA 1.756 57.864 56.100 0.013 0.000 0.967 1070 R CB -0.711 29.596 30.300 0.012 0.000 0.861 1070 R HN 0.756 nan 8.270 nan 0.000 0.442 1071 A N 0.277 123.106 122.820 0.016 0.000 2.259 1071 A HA 0.078 4.398 4.320 0.001 0.000 0.212 1071 A C 1.410 179.006 177.584 0.021 0.000 1.178 1071 A CA 0.965 53.013 52.037 0.018 0.000 0.734 1071 A CB -0.725 18.286 19.000 0.019 0.000 0.774 1071 A HN 0.494 nan 8.150 nan 0.000 0.481 1072 G N -1.420 107.391 108.800 0.018 0.000 2.176 1072 G HA2 -0.252 3.708 3.960 0.001 0.000 0.252 1072 G HA3 -0.252 3.708 3.960 0.001 0.000 0.252 1072 G C -0.113 174.798 174.900 0.019 0.000 1.024 1072 G CA 0.473 45.584 45.100 0.018 0.000 0.755 1072 G HN 0.720 nan 8.290 nan 0.000 0.507 1073 Q N -1.088 118.721 119.800 0.017 0.000 2.301 1073 Q HA 0.781 5.121 4.340 0.001 0.000 0.267 1073 Q C 0.285 176.283 176.000 -0.003 0.000 1.035 1073 Q CA -0.810 55.002 55.803 0.014 0.000 0.856 1073 Q CB 1.672 30.422 28.738 0.020 0.000 1.337 1073 Q HN 0.353 nan 8.270 nan 0.000 0.450 1074 R N 0.674 121.162 120.500 -0.019 0.000 2.711 1074 R HA 0.287 4.628 4.340 0.001 0.000 0.284 1074 R C -0.999 175.240 176.300 -0.101 0.000 0.968 1074 R CA -0.666 55.405 56.100 -0.048 0.000 0.924 1074 R CB 1.764 32.032 30.300 -0.052 0.000 1.162 1074 R HN 0.483 nan 8.270 nan 0.000 0.465 1075 Q N 1.858 121.562 119.800 -0.159 0.000 2.274 1075 Q HA 0.353 4.694 4.340 0.001 0.000 0.256 1075 Q C -1.227 174.425 176.000 -0.581 0.000 0.927 1075 Q CA -0.514 55.069 55.803 -0.367 0.000 0.939 1075 Q CB 1.390 29.891 28.738 -0.395 0.000 1.201 1075 Q HN 0.329 nan 8.270 nan 0.000 0.426 1076 V N 5.320 124.886 119.914 -0.581 0.000 2.417 1076 V HA 0.426 4.546 4.120 0.001 0.000 0.291 1076 V C -0.792 174.875 176.094 -0.712 0.000 1.024 1076 V CA -0.589 61.373 62.300 -0.564 0.000 0.861 1076 V CB 0.917 32.534 31.823 -0.343 0.000 0.985 1076 V HN 0.635 nan 8.190 nan 0.000 0.436 1077 F N 4.737 124.487 119.950 -0.333 0.000 2.415 1077 F HA 0.710 5.237 4.527 0.001 0.000 0.348 1077 F C -0.255 175.321 175.800 -0.373 0.000 1.119 1077 F CA -0.444 57.429 58.000 -0.212 0.000 1.069 1077 F CB 1.184 40.117 39.000 -0.111 0.000 1.124 1077 F HN 0.291 nan 8.300 nan 0.000 0.472 1078 F N 0.668 120.712 119.950 0.157 0.000 2.532 1078 F HA 0.363 4.890 4.527 0.001 0.000 0.321 1078 F C -0.024 175.825 175.800 0.082 0.000 1.089 1078 F CA -1.093 56.966 58.000 0.099 0.000 0.926 1078 F CB 1.715 40.749 39.000 0.057 0.000 1.168 1078 F HN 0.370 nan 8.300 nan 0.000 0.459 1079 E N 2.858 123.204 120.200 0.244 0.000 2.105 1079 E HA 0.256 4.606 4.350 0.001 0.000 0.285 1079 E C 0.115 176.788 176.600 0.122 0.000 1.055 1079 E CA -0.160 56.326 56.400 0.144 0.000 0.843 1079 E CB 0.916 30.668 29.700 0.087 0.000 1.067 1079 E HN 0.661 nan 8.360 nan 0.000 0.398 1080 L N 3.885 125.161 121.223 0.088 0.000 2.080 1080 L HA 0.090 4.430 4.340 0.001 0.000 0.209 1080 L C 0.530 177.413 176.870 0.020 0.000 1.178 1080 L CA 0.150 55.004 54.840 0.024 0.000 1.430 1080 L CB 0.195 42.259 42.059 0.008 0.000 1.236 1080 L HN 0.475 nan 8.230 nan 0.000 0.736 1081 N N 0.380 119.096 118.700 0.028 0.000 3.324 1081 N HA 0.164 4.904 4.740 0.001 0.000 0.302 1081 N C 0.507 176.036 175.510 0.032 0.000 1.360 1081 N CA 0.809 53.887 53.050 0.046 0.000 1.190 1081 N CB 0.359 38.876 38.487 0.051 0.000 1.462 1081 N HN 0.691 nan 8.380 nan 0.000 0.532 1082 G N 0.545 109.360 108.800 0.024 0.000 2.257 1082 G HA2 -0.334 3.626 3.960 0.001 0.000 0.267 1082 G HA3 -0.334 3.626 3.960 0.001 0.000 0.267 1082 G C 0.310 175.225 174.900 0.026 0.000 0.984 1082 G CA 0.358 45.467 45.100 0.015 0.000 0.626 1082 G HN 0.539 nan 8.290 nan 0.000 0.540 1083 Q N -0.058 119.762 119.800 0.034 0.000 2.243 1083 Q HA 0.653 4.994 4.340 0.001 0.000 0.252 1083 Q C -0.102 175.936 176.000 0.062 0.000 0.909 1083 Q CA -1.002 54.825 55.803 0.040 0.000 0.922 1083 Q CB 0.958 29.717 28.738 0.035 0.000 1.215 1083 Q HN 0.351 nan 8.270 nan 0.000 0.427 1084 L N 3.761 125.025 121.223 0.067 0.000 2.331 1084 L HA 0.459 4.799 4.340 0.001 0.000 0.278 1084 L C -1.145 175.800 176.870 0.125 0.000 1.106 1084 L CA 0.463 55.363 54.840 0.100 0.000 0.824 1084 L CB 0.795 42.900 42.059 0.076 0.000 1.142 1084 L HN 0.594 nan 8.230 nan 0.000 0.443 1085 R N 2.202 122.813 120.500 0.184 0.000 2.651 1085 R HA 0.687 5.028 4.340 0.001 0.000 0.278 1085 R C -1.253 175.203 176.300 0.260 0.000 1.010 1085 R CA -0.373 55.837 56.100 0.183 0.000 0.896 1085 R CB 2.079 32.459 30.300 0.133 0.000 1.211 1085 R HN 0.778 nan 8.270 nan 0.000 0.456 1086 S N 3.046 118.850 115.700 0.173 0.000 2.568 1086 S HA 0.768 5.239 4.470 0.001 0.000 0.293 1086 S C -0.920 173.666 174.600 -0.022 0.000 1.089 1086 S CA -0.693 57.536 58.200 0.048 0.000 0.945 1086 S CB 1.353 64.534 63.200 -0.032 0.000 1.077 1086 S HN 0.313 nan 8.310 nan 0.000 0.485 1087 I N 2.408 122.914 120.570 -0.107 0.000 2.533 1087 I HA 0.455 4.625 4.170 0.001 0.000 0.290 1087 I C -1.063 174.949 176.117 -0.176 0.000 1.056 1087 I CA -0.941 60.264 61.300 -0.160 0.000 1.057 1087 I CB 1.744 39.636 38.000 -0.180 0.000 1.240 1087 I HN 0.707 nan 8.210 nan 0.000 0.423 1088 L N 6.774 127.935 121.223 -0.102 0.000 2.281 1088 L HA 0.505 4.845 4.340 0.001 0.000 0.285 1088 L C -0.247 176.647 176.870 0.040 0.000 1.074 1088 L CA 0.105 54.925 54.840 -0.032 0.000 0.817 1088 L CB 1.252 43.325 42.059 0.023 0.000 1.168 1088 L HN 0.382 nan 8.230 nan 0.000 0.434 1089 V N 4.677 124.610 119.914 0.032 0.000 2.914 1089 V HA 0.519 4.639 4.120 0.001 0.000 0.314 1089 V C -0.557 175.590 176.094 0.089 0.000 1.084 1089 V CA -1.000 61.366 62.300 0.111 0.000 0.963 1089 V CB 2.443 34.336 31.823 0.117 0.000 1.025 1089 V HN 0.743 nan 8.190 nan 0.000 0.432 1090 K N 2.857 123.341 120.400 0.141 0.000 2.205 1090 K HA 0.359 4.679 4.320 0.001 0.000 0.279 1090 K C -0.675 175.971 176.600 0.076 0.000 1.027 1090 K CA -0.184 56.166 56.287 0.104 0.000 0.932 1090 K CB 0.843 33.417 32.500 0.122 0.000 1.032 1090 K HN 0.635 nan 8.250 nan 0.000 0.466 1091 D N 2.744 123.165 120.400 0.035 0.000 2.380 1091 D HA 0.132 4.772 4.640 0.001 0.000 0.230 1091 D C 0.207 176.519 176.300 0.020 0.000 1.154 1091 D CA 0.014 54.016 54.000 0.004 0.000 0.859 1091 D CB 1.079 41.873 40.800 -0.009 0.000 1.045 1091 D HN 0.600 nan 8.370 nan 0.000 0.495 1092 T N 2.897 117.465 114.554 0.023 0.000 2.622 1092 T HA -0.221 4.130 4.350 0.001 0.000 0.266 1092 T C 1.688 176.405 174.700 0.028 0.000 1.047 1092 T CA 1.330 63.457 62.100 0.045 0.000 1.159 1092 T CB -0.074 68.831 68.868 0.061 0.000 0.863 1092 T HN 0.529 nan 8.240 nan 0.000 0.422 1093 Q N 0.663 120.468 119.800 0.008 0.000 2.325 1093 Q HA -0.063 4.277 4.340 0.001 0.000 0.211 1093 Q C 1.906 177.910 176.000 0.006 0.000 0.988 1093 Q CA 1.351 57.157 55.803 0.003 0.000 0.887 1093 Q CB -0.195 28.535 28.738 -0.012 0.000 0.915 1093 Q HN 0.541 nan 8.270 nan 0.000 0.440 1094 A N -1.213 121.612 122.820 0.008 0.000 2.545 1094 A HA 0.185 4.506 4.320 0.001 0.000 0.263 1094 A C 1.404 178.999 177.584 0.018 0.000 1.202 1094 A CA -0.233 51.810 52.037 0.010 0.000 0.959 1094 A CB 0.399 19.402 19.000 0.004 0.000 1.124 1094 A HN 0.093 nan 8.150 nan 0.000 0.543 1095 M N 0.787 120.403 119.600 0.026 0.000 2.248 1095 M HA 0.023 4.503 4.480 0.001 0.000 0.265 1095 M C 1.102 177.420 176.300 0.030 0.000 1.079 1095 M CA 1.043 56.362 55.300 0.033 0.000 1.150 1095 M CB -0.928 31.699 32.600 0.046 0.000 1.366 1095 M HN 0.534 nan 8.290 nan 0.000 0.433 1096 K N 1.582 122.001 120.400 0.030 0.000 2.686 1096 K HA 0.139 4.459 4.320 0.001 0.000 0.244 1096 K C -0.404 176.209 176.600 0.021 0.000 1.262 1096 K CA 0.310 56.614 56.287 0.027 0.000 1.199 1096 K CB -0.196 32.322 32.500 0.030 0.000 1.428 1096 K HN 0.106 nan 8.250 nan 0.000 0.247 1104 A N 2.172 124.929 122.820 -0.106 0.000 2.539 1104 A HA 0.861 5.181 4.320 0.001 0.000 0.296 1104 A C -1.769 175.759 177.584 -0.093 0.000 1.073 1104 A CA -0.891 51.092 52.037 -0.090 0.000 0.700 1104 A CB 0.919 19.865 19.000 -0.090 0.000 1.296 1104 A HN 0.471 nan 8.150 nan 0.000 0.405 1105 L N -0.890 120.299 121.223 -0.058 0.000 2.362 1105 L HA 0.947 5.287 4.340 0.001 0.000 0.275 1105 L C -0.498 176.354 176.870 -0.031 0.000 0.998 1105 L CA -0.912 53.901 54.840 -0.045 0.000 0.820 1105 L CB 1.498 43.539 42.059 -0.030 0.000 1.270 1105 L HN 0.491 nan 8.230 nan 0.000 0.415 1106 K N 1.355 121.739 120.400 -0.025 0.000 2.578 1106 K HA 0.486 4.806 4.320 0.001 0.000 0.250 1106 K C -0.663 175.934 176.600 -0.006 0.000 0.955 1106 K CA -0.190 56.090 56.287 -0.012 0.000 0.825 1106 K CB 1.561 34.057 32.500 -0.006 0.000 1.151 1106 K HN 0.751 nan 8.250 nan 0.000 0.432 1107 D N 1.496 121.894 120.400 -0.003 0.000 2.634 1107 D HA -0.007 4.634 4.640 0.001 0.000 0.262 1107 D C 0.268 176.569 176.300 0.002 0.000 1.354 1107 D CA 0.538 54.537 54.000 -0.001 0.000 1.028 1107 D CB 0.025 40.824 40.800 -0.002 0.000 1.061 1107 D HN 0.223 nan 8.370 nan 0.000 0.387 1108 V N 2.094 122.009 119.914 0.002 0.000 1.909 1108 V HA 0.091 4.211 4.120 0.001 0.000 0.253 1108 V C 0.456 176.553 176.094 0.005 0.000 1.734 1108 V CA 0.710 63.012 62.300 0.003 0.000 1.661 1108 V CB -1.490 30.335 31.823 0.003 0.000 1.552 1108 V HN 0.138 nan 8.190 nan 0.000 0.506 1109 K N 0.481 120.885 120.400 0.006 0.000 2.614 1109 K HA 0.423 4.744 4.320 0.001 0.000 0.293 1109 K C 1.155 177.761 176.600 0.010 0.000 1.045 1109 K CA -0.288 56.004 56.287 0.008 0.000 0.880 1109 K CB 1.662 34.167 32.500 0.010 0.000 1.552 1109 K HN 0.221 nan 8.250 nan 0.000 0.404 1110 G N 0.400 109.207 108.800 0.012 0.000 2.625 1110 G HA2 -0.123 3.838 3.960 0.001 0.000 0.214 1110 G HA3 -0.123 3.838 3.960 0.001 0.000 0.214 1110 G C 0.227 175.137 174.900 0.017 0.000 1.132 1110 G CA 0.574 45.682 45.100 0.013 0.000 0.782 1110 G HN 0.353 nan 8.290 nan 0.000 0.538 1111 Q N -0.475 119.336 119.800 0.019 0.000 2.417 1111 Q HA 0.435 4.776 4.340 0.001 0.000 0.241 1111 Q C -0.595 175.417 176.000 0.019 0.000 1.008 1111 Q CA 0.089 55.907 55.803 0.026 0.000 0.901 1111 Q CB 1.438 30.192 28.738 0.027 0.000 1.259 1111 Q HN 0.239 nan 8.270 nan 0.000 0.489 1112 I N 0.605 121.189 120.570 0.025 0.000 2.389 1112 I HA 0.376 4.546 4.170 0.001 0.000 0.288 1112 I C 0.375 176.498 176.117 0.010 0.000 0.999 1112 I CA -0.601 60.709 61.300 0.018 0.000 1.129 1112 I CB 1.731 39.745 38.000 0.023 0.000 1.288 1112 I HN 0.527 nan 8.210 nan 0.000 0.444 1113 G N 3.822 112.622 108.800 0.001 0.000 2.437 1113 G HA2 0.670 4.630 3.960 0.001 0.000 0.319 1113 G HA3 0.670 4.630 3.960 0.001 0.000 0.319 1113 G C -0.301 174.597 174.900 -0.003 0.000 1.158 1113 G CA -0.666 44.429 45.100 -0.008 0.000 0.899 1113 G HN 0.786 nan 8.290 nan 0.000 0.502 1114 A N 1.680 124.496 122.820 -0.007 0.000 2.477 1114 A HA 0.510 4.830 4.320 0.001 0.000 0.246 1114 A C -1.062 176.521 177.584 -0.002 0.000 1.078 1114 A CA -0.790 51.246 52.037 -0.002 0.000 0.770 1114 A CB 0.637 19.634 19.000 -0.004 0.000 1.011 1114 A HN 0.452 nan 8.150 nan 0.000 0.494 1115 P HA 0.042 nan 4.420 nan 0.000 0.217 1115 P C 0.028 177.328 177.300 -0.000 0.000 1.154 1115 P CA 1.058 64.158 63.100 0.001 0.000 0.841 1115 P CB 0.185 31.887 31.700 0.002 0.000 0.790 1116 M N -1.785 117.815 119.600 -0.000 0.000 2.619 1116 M HA 0.418 4.899 4.480 0.001 0.000 0.297 1116 M C -2.851 173.449 176.300 -0.001 0.000 1.229 1116 M CA -3.127 52.173 55.300 -0.000 0.000 0.860 1116 M CB 1.270 33.870 32.600 0.000 0.000 1.741 1116 M HN -0.356 nan 8.290 nan 0.000 0.462 1117 P HA 0.457 nan 4.420 nan 0.000 0.276 1117 P C -0.436 176.864 177.300 -0.000 0.000 1.264 1117 P CA 0.089 63.188 63.100 -0.002 0.000 0.769 1117 P CB 0.289 31.987 31.700 -0.002 0.000 0.840 1118 G N 1.830 110.630 108.800 0.000 0.000 2.703 1118 G HA2 0.380 4.341 3.960 0.001 0.000 0.294 1118 G HA3 0.380 4.341 3.960 0.001 0.000 0.294 1118 G C -1.425 173.477 174.900 0.003 0.000 1.451 1118 G CA -0.795 44.306 45.100 0.002 0.000 0.869 1118 G HN 0.469 nan 8.290 nan 0.000 0.516 1119 K N 0.608 121.010 120.400 0.003 0.000 2.436 1119 K HA 0.290 4.610 4.320 0.001 0.000 0.275 1119 K C -0.279 176.324 176.600 0.006 0.000 0.999 1119 K CA -0.235 56.054 56.287 0.004 0.000 0.980 1119 K CB 0.718 33.221 32.500 0.004 0.000 0.919 1119 K HN 0.159 nan 8.250 nan 0.000 0.484 1120 V N 7.188 127.106 119.914 0.008 0.000 2.368 1120 V HA 0.119 4.240 4.120 0.001 0.000 0.266 1120 V C 1.119 177.218 176.094 0.008 0.000 1.045 1120 V CA -0.175 62.130 62.300 0.009 0.000 0.899 1120 V CB 0.758 32.589 31.823 0.013 0.000 1.006 1120 V HN 0.870 nan 8.190 nan 0.000 0.470 1121 I N 1.874 122.448 120.570 0.007 0.000 3.526 1121 I HA 0.225 4.395 4.170 0.001 0.000 0.294 1121 I C -0.088 176.033 176.117 0.006 0.000 1.229 1121 I CA 0.656 61.960 61.300 0.006 0.000 1.408 1121 I CB 0.713 38.716 38.000 0.005 0.000 1.127 1121 I HN 0.573 nan 8.210 nan 0.000 0.439 1122 D N 2.023 122.427 120.400 0.007 0.000 2.649 1122 D HA 0.392 5.032 4.640 0.001 0.000 0.249 1122 D C -0.627 175.678 176.300 0.008 0.000 1.112 1122 D CA -0.252 53.752 54.000 0.006 0.000 0.850 1122 D CB 2.086 42.889 40.800 0.006 0.000 1.399 1122 D HN 0.113 nan 8.370 nan 0.000 0.503 1123 I N -0.882 119.693 120.570 0.007 0.000 2.312 1123 I HA 0.404 4.574 4.170 0.001 0.000 0.290 1123 I C 0.753 176.874 176.117 0.006 0.000 1.008 1123 I CA -0.562 60.742 61.300 0.008 0.000 1.226 1123 I CB 1.501 39.505 38.000 0.007 0.000 1.371 1123 I HN 0.060 nan 8.210 nan 0.000 0.468 1124 K N 4.466 124.870 120.400 0.006 0.000 2.225 1124 K HA 0.183 4.503 4.320 0.001 0.000 0.204 1124 K C 0.458 177.060 176.600 0.003 0.000 1.047 1124 K CA 0.402 56.692 56.287 0.005 0.000 0.970 1124 K CB 0.249 32.753 32.500 0.006 0.000 0.939 1124 K HN 0.642 nan 8.250 nan 0.000 0.472 1125 V N 1.645 121.561 119.914 0.004 0.000 2.455 1125 V HA 0.194 4.314 4.120 0.001 0.000 0.273 1125 V C 0.431 176.524 176.094 -0.001 0.000 1.045 1125 V CA -1.055 61.246 62.300 0.001 0.000 0.976 1125 V CB 0.873 32.698 31.823 0.002 0.000 0.993 1125 V HN -0.125 nan 8.190 nan 0.000 0.475 1126 V N 4.597 124.510 119.914 -0.003 0.000 2.644 1126 V HA 0.180 4.300 4.120 0.001 0.000 0.305 1126 V C 1.443 177.531 176.094 -0.009 0.000 1.053 1126 V CA 0.488 62.785 62.300 -0.005 0.000 1.186 1126 V CB 0.334 32.154 31.823 -0.005 0.000 0.895 1126 V HN 1.323 nan 8.190 nan 0.000 0.490 1127 A N 4.962 127.774 122.820 -0.013 0.000 2.569 1127 A HA 0.439 4.759 4.320 0.001 0.000 0.288 1127 A C 1.346 178.916 177.584 -0.023 0.000 1.326 1127 A CA 0.631 52.655 52.037 -0.021 0.000 0.978 1127 A CB -1.289 17.696 19.000 -0.025 0.000 1.054 1127 A HN 2.361 nan 8.150 nan 0.000 0.558 1128 G N 0.592 109.378 108.800 -0.023 0.000 2.600 1128 G HA2 0.374 4.335 3.960 0.001 0.000 0.251 1128 G HA3 0.374 4.335 3.960 0.001 0.000 0.251 1128 G C -0.087 174.805 174.900 -0.013 0.000 1.142 1128 G CA 0.041 45.129 45.100 -0.020 0.000 0.994 1128 G HN 2.257 nan 8.290 nan 0.000 0.511 1129 A N 0.542 123.357 122.820 -0.009 0.000 2.569 1129 A HA 0.885 5.205 4.320 0.001 0.000 0.290 1129 A C 0.245 177.827 177.584 -0.003 0.000 1.136 1129 A CA -0.809 51.225 52.037 -0.006 0.000 0.710 1129 A CB 1.260 20.257 19.000 -0.005 0.000 1.303 1129 A HN 0.324 nan 8.150 nan 0.000 0.413 1130 K N 0.064 120.463 120.400 -0.002 0.000 2.397 1130 K HA 0.336 4.656 4.320 0.001 0.000 0.265 1130 K C -0.034 176.567 176.600 0.001 0.000 0.982 1130 K CA 0.448 56.735 56.287 -0.000 0.000 0.931 1130 K CB 0.603 33.103 32.500 -0.000 0.000 0.943 1130 K HN 1.074 nan 8.250 nan 0.000 0.501 1131 V N -2.257 117.658 119.914 0.002 0.000 3.078 1131 V HA 0.869 4.990 4.120 0.001 0.000 0.311 1131 V C -0.553 175.543 176.094 0.003 0.000 1.138 1131 V CA -1.094 61.208 62.300 0.003 0.000 1.007 1131 V CB 1.837 33.662 31.823 0.005 0.000 1.045 1131 V HN 0.828 nan 8.190 nan 0.000 0.432 1132 A N 1.529 124.351 122.820 0.003 0.000 2.389 1132 A HA 0.767 5.087 4.320 0.001 0.000 0.293 1132 A C -0.143 177.444 177.584 0.004 0.000 1.186 1132 A CA -1.097 50.942 52.037 0.003 0.000 0.828 1132 A CB 1.108 20.110 19.000 0.003 0.000 1.369 1132 A HN 0.819 nan 8.150 nan 0.000 0.446 1133 K N 1.028 121.430 120.400 0.003 0.000 2.315 1133 K HA 0.250 4.570 4.320 0.001 0.000 0.281 1133 K C 0.701 177.303 176.600 0.004 0.000 1.086 1133 K CA 1.137 57.426 56.287 0.003 0.000 1.042 1133 K CB -0.569 31.933 32.500 0.003 0.000 0.949 1133 K HN 1.615 nan 8.250 nan 0.000 0.450 1134 G N 2.923 111.726 108.800 0.004 0.000 2.353 1134 G HA2 -0.283 3.677 3.960 0.001 0.000 0.294 1134 G HA3 -0.283 3.677 3.960 0.001 0.000 0.294 1134 G C -0.208 174.694 174.900 0.004 0.000 1.077 1134 G CA 0.039 45.141 45.100 0.004 0.000 1.098 1134 G HN 0.643 nan 8.290 nan 0.000 0.511 1135 Q N 0.600 120.403 119.800 0.005 0.000 2.322 1135 Q HA 0.493 4.834 4.340 0.001 0.000 0.265 1135 Q C -2.242 173.761 176.000 0.005 0.000 0.985 1135 Q CA -2.398 53.408 55.803 0.005 0.000 0.849 1135 Q CB 2.324 31.065 28.738 0.004 0.000 1.274 1135 Q HN 0.251 nan 8.270 nan 0.000 0.449 1136 P HA -0.054 nan 4.420 nan 0.000 0.264 1136 P C -0.351 176.953 177.300 0.007 0.000 1.183 1136 P CA 0.554 63.657 63.100 0.006 0.000 0.763 1136 P CB 0.705 32.408 31.700 0.005 0.000 0.807 1137 L N 1.364 122.592 121.223 0.008 0.000 2.806 1137 L HA 0.339 4.679 4.340 0.001 0.000 0.242 1137 L C 0.930 177.807 176.870 0.011 0.000 1.068 1137 L CA 0.181 55.027 54.840 0.010 0.000 0.923 1137 L CB 0.437 42.504 42.059 0.013 0.000 1.364 1137 L HN 0.380 nan 8.230 nan 0.000 0.511 1138 C N 0.516 119.822 119.300 0.011 0.000 2.985 1138 C HA 0.702 5.163 4.460 0.001 0.000 0.332 1138 C C -0.963 174.033 174.990 0.009 0.000 1.164 1138 C CA -0.574 58.451 59.018 0.012 0.000 1.347 1138 C CB 1.769 29.519 27.740 0.016 0.000 1.764 1138 C HN -0.009 nan 8.230 nan 0.000 0.489 1139 V N 6.837 126.756 119.914 0.009 0.000 2.313 1139 V HA 0.455 4.575 4.120 0.001 0.000 0.278 1139 V C -0.136 175.962 176.094 0.007 0.000 1.017 1139 V CA -0.173 62.131 62.300 0.007 0.000 0.823 1139 V CB 1.009 32.836 31.823 0.006 0.000 1.010 1139 V HN 0.729 nan 8.190 nan 0.000 0.443 1140 L N 4.301 125.527 121.223 0.006 0.000 2.331 1140 L HA 0.820 5.160 4.340 0.001 0.000 0.275 1140 L C 0.102 176.975 176.870 0.004 0.000 1.022 1140 L CA -0.217 54.626 54.840 0.005 0.000 0.812 1140 L CB 2.236 44.298 42.059 0.005 0.000 1.257 1140 L HN 0.756 nan 8.230 nan 0.000 0.435 1141 S N 0.475 116.177 115.700 0.004 0.000 2.689 1141 S HA 0.651 5.121 4.470 0.001 0.000 0.274 1141 S C -0.174 174.428 174.600 0.002 0.000 1.176 1141 S CA -0.244 57.957 58.200 0.003 0.000 1.014 1141 S CB 1.633 64.835 63.200 0.003 0.000 1.071 1141 S HN 0.713 nan 8.310 nan 0.000 0.478 1142 A N 4.092 126.913 122.820 0.002 0.000 2.172 1142 A HA 0.689 5.009 4.320 0.001 0.000 0.215 1142 A C 0.642 178.227 177.584 0.001 0.000 1.610 1142 A CA 0.314 52.352 52.037 0.001 0.000 0.606 1142 A CB -0.071 18.930 19.000 0.001 0.000 1.182 1142 A HN 0.950 nan 8.150 nan 0.000 0.499 1143 M N -2.004 117.597 119.600 0.001 0.000 2.255 1143 M HA 0.379 4.859 4.480 0.001 0.000 0.275 1143 M C -0.797 175.503 176.300 0.001 0.000 1.050 1143 M CA -0.313 54.987 55.300 0.001 0.000 0.978 1143 M CB 1.615 34.215 32.600 0.001 0.000 1.761 1143 M HN 0.553 nan 8.290 nan 0.000 0.479 1144 K N 0.811 121.211 120.400 0.001 0.000 3.548 1144 K HA -0.198 4.123 4.320 0.001 0.000 0.310 1144 K C -0.280 176.320 176.600 0.001 0.000 1.282 1144 K CA 2.049 58.337 56.287 0.001 0.000 1.008 1144 K CB -1.125 31.376 32.500 0.001 0.000 1.265 1144 K HN 0.717 nan 8.250 nan 0.000 0.430 1145 M N 0.884 120.485 119.600 0.001 0.000 2.243 1145 M HA 0.243 4.724 4.480 0.001 0.000 0.324 1145 M C -1.116 175.185 176.300 0.002 0.000 1.031 1145 M CA -0.313 54.988 55.300 0.001 0.000 0.949 1145 M CB 1.442 34.043 32.600 0.001 0.000 1.615 1145 M HN 0.076 nan 8.290 nan 0.000 0.430 1146 E N 1.893 122.094 120.200 0.002 0.000 2.299 1146 E HA 0.591 4.941 4.350 0.001 0.000 0.265 1146 E C -1.321 175.280 176.600 0.003 0.000 0.911 1146 E CA -0.759 55.642 56.400 0.002 0.000 0.789 1146 E CB 2.642 32.344 29.700 0.003 0.000 1.246 1146 E HN 0.563 nan 8.360 nan 0.000 0.427 1147 T N 0.346 114.902 114.554 0.003 0.000 3.066 1147 T HA 0.195 4.546 4.350 0.001 0.000 0.318 1147 T C -0.566 174.137 174.700 0.004 0.000 0.979 1147 T CA -0.656 61.446 62.100 0.004 0.000 1.025 1147 T CB 0.789 69.659 68.868 0.003 0.000 1.002 1147 T HN 0.135 nan 8.240 nan 0.000 0.453 1148 V N 3.524 123.441 119.914 0.004 0.000 2.397 1148 V HA 0.140 4.260 4.120 0.001 0.000 0.262 1148 V C 0.711 176.809 176.094 0.006 0.000 1.047 1148 V CA -0.690 61.613 62.300 0.005 0.000 1.003 1148 V CB 0.233 32.059 31.823 0.004 0.000 1.037 1148 V HN 0.741 nan 8.190 nan 0.000 0.480 1149 V N 4.907 124.826 119.914 0.007 0.000 2.421 1149 V HA 0.123 4.243 4.120 0.001 0.000 0.271 1149 V C 0.804 176.903 176.094 0.008 0.000 1.031 1149 V CA 0.553 62.858 62.300 0.008 0.000 1.032 1149 V CB 0.736 32.566 31.823 0.011 0.000 1.009 1149 V HN 0.950 nan 8.190 nan 0.000 0.477 1150 T N 3.779 118.338 114.554 0.007 0.000 2.936 1150 T HA 0.567 4.918 4.350 0.001 0.000 0.282 1150 T C -0.195 174.510 174.700 0.008 0.000 1.003 1150 T CA -0.310 61.794 62.100 0.007 0.000 1.005 1150 T CB 1.375 70.246 68.868 0.006 0.000 1.097 1150 T HN 0.659 nan 8.240 nan 0.000 0.532 1151 S N 2.256 117.961 115.700 0.007 0.000 2.720 1151 S HA 0.385 4.855 4.470 0.001 0.000 0.278 1151 S C -2.063 172.541 174.600 0.006 0.000 1.172 1151 S CA -0.867 57.338 58.200 0.008 0.000 1.019 1151 S CB 2.059 65.265 63.200 0.009 0.000 1.049 1151 S HN 0.598 nan 8.310 nan 0.000 0.483 1152 P HA 0.030 nan 4.420 nan 0.000 0.227 1152 P C 0.399 177.702 177.300 0.006 0.000 1.161 1152 P CA 0.225 63.328 63.100 0.005 0.000 0.788 1152 P CB 0.065 31.768 31.700 0.005 0.000 0.822 1153 M N 1.109 120.713 119.600 0.007 0.000 2.268 1153 M HA 0.075 4.555 4.480 0.001 0.000 0.349 1153 M C 0.145 176.449 176.300 0.007 0.000 1.485 1153 M CA 0.682 55.986 55.300 0.007 0.000 1.094 1153 M CB -0.133 32.473 32.600 0.009 0.000 1.843 1153 M HN -0.140 nan 8.290 nan 0.000 0.460 1154 E N 2.652 122.855 120.200 0.006 0.000 2.259 1154 E HA 0.851 5.202 4.350 0.001 0.000 0.257 1154 E C 0.038 176.641 176.600 0.004 0.000 0.998 1154 E CA -0.316 56.087 56.400 0.005 0.000 0.866 1154 E CB 1.470 31.172 29.700 0.004 0.000 1.220 1154 E HN 0.949 nan 8.360 nan 0.000 0.415 1155 G N 0.001 108.803 108.800 0.003 0.000 2.396 1155 G HA2 -0.159 3.802 3.960 0.001 0.000 0.254 1155 G HA3 -0.159 3.802 3.960 0.001 0.000 0.254 1155 G C -0.482 174.419 174.900 0.002 0.000 1.248 1155 G CA -0.584 44.517 45.100 0.003 0.000 1.033 1155 G HN 0.474 nan 8.290 nan 0.000 0.502 1156 T N -0.277 114.278 114.554 0.001 0.000 2.860 1156 T HA 0.497 4.847 4.350 0.001 0.000 0.299 1156 T C 0.365 175.064 174.700 -0.001 0.000 1.045 1156 T CA 0.153 62.253 62.100 -0.001 0.000 1.071 1156 T CB 1.589 70.456 68.868 -0.002 0.000 0.985 1156 T HN 1.064 nan 8.240 nan 0.000 0.537 1157 V N 2.316 122.228 119.914 -0.004 0.000 2.628 1157 V HA 0.398 4.519 4.120 0.001 0.000 0.306 1157 V C 0.882 176.967 176.094 -0.015 0.000 1.045 1157 V CA -0.962 61.334 62.300 -0.006 0.000 0.905 1157 V CB 1.923 33.742 31.823 -0.005 0.000 0.997 1157 V HN 0.701 nan 8.190 nan 0.000 0.436 1158 R N 1.670 122.159 120.500 -0.019 0.000 1.485 1158 R HA 0.271 4.612 4.340 0.001 0.000 0.072 1158 R C 0.507 176.768 176.300 -0.065 0.000 0.482 1158 R CA -0.293 55.785 56.100 -0.036 0.000 2.045 1158 R CB 0.169 30.450 30.300 -0.031 0.000 0.531 1158 R HN 0.552 nan 8.270 nan 0.000 0.758 1159 K N 0.821 121.153 120.400 -0.114 0.000 2.154 1159 K HA 0.169 4.489 4.320 0.001 0.000 0.264 1159 K C -0.803 175.658 176.600 -0.231 0.000 1.008 1159 K CA -0.273 55.917 56.287 -0.163 0.000 0.937 1159 K CB 1.059 33.446 32.500 -0.190 0.000 1.002 1159 K HN 0.072 nan 8.250 nan 0.000 0.469 1160 V N 4.303 124.116 119.914 -0.168 0.000 2.432 1160 V HA 0.075 4.196 4.120 0.001 0.000 0.275 1160 V C 0.630 176.638 176.094 -0.144 0.000 1.043 1160 V CA -0.135 62.092 62.300 -0.123 0.000 0.925 1160 V CB 1.055 32.852 31.823 -0.044 0.000 0.985 1160 V HN 0.853 nan 8.190 nan 0.000 0.466 1161 H N 3.026 122.098 119.070 0.003 0.000 2.266 1161 H HA 0.071 4.628 4.556 0.001 0.000 0.308 1161 H C 0.779 176.109 175.328 0.003 0.000 1.057 1161 H CA 1.772 57.822 56.048 0.003 0.000 1.330 1161 H CB 0.188 29.952 29.762 0.004 0.000 1.400 1161 H HN 0.559 nan 8.280 nan 0.000 0.503 1162 V N -1.058 118.939 119.914 0.139 0.000 2.716 1162 V HA 0.324 4.444 4.120 0.001 0.000 0.304 1162 V C 0.532 176.652 176.094 0.043 0.000 1.053 1162 V CA -0.487 61.856 62.300 0.072 0.000 0.984 1162 V CB 1.955 33.811 31.823 0.055 0.000 1.021 1162 V HN 0.314 nan 8.190 nan 0.000 0.467 1163 T N 1.806 116.378 114.554 0.029 0.000 3.555 1163 T HA 0.335 4.686 4.350 0.001 0.000 0.201 1163 T C 0.132 174.841 174.700 0.016 0.000 0.850 1163 T CA 0.269 62.380 62.100 0.019 0.000 1.646 1163 T CB 0.049 68.925 68.868 0.013 0.000 1.774 1163 T HN 0.702 nan 8.240 nan 0.000 0.447 1164 K N 0.732 121.140 120.400 0.013 0.000 2.422 1164 K HA 0.475 4.795 4.320 0.001 0.000 0.251 1164 K C -0.989 175.617 176.600 0.010 0.000 0.933 1164 K CA -0.605 55.689 56.287 0.010 0.000 0.798 1164 K CB 2.363 34.867 32.500 0.008 0.000 1.238 1164 K HN 0.300 nan 8.250 nan 0.000 0.428 1165 D N 0.132 120.537 120.400 0.008 0.000 4.881 1165 D HA -0.225 4.416 4.640 0.001 0.000 0.143 1165 D C 0.225 176.529 176.300 0.007 0.000 0.667 1165 D CA 0.951 54.955 54.000 0.007 0.000 1.397 1165 D CB -0.816 39.987 40.800 0.006 0.000 0.889 1165 D HN 0.486 nan 8.370 nan 0.000 0.544 1166 M N 1.858 121.462 119.600 0.007 0.000 2.193 1166 M HA -0.037 4.443 4.480 0.001 0.000 0.332 1166 M C 0.300 176.604 176.300 0.005 0.000 1.044 1166 M CA 1.198 56.502 55.300 0.006 0.000 0.967 1166 M CB -0.066 32.538 32.600 0.007 0.000 1.631 1166 M HN 0.219 nan 8.290 nan 0.000 0.454 1167 T N 4.047 118.603 114.554 0.004 0.000 2.829 1167 T HA 0.277 4.628 4.350 0.001 0.000 0.293 1167 T C -0.229 174.472 174.700 0.001 0.000 0.970 1167 T CA -0.518 61.584 62.100 0.002 0.000 1.168 1167 T CB -0.063 68.806 68.868 0.001 0.000 0.911 1167 T HN 0.257 nan 8.240 nan 0.000 0.535 1168 L N 3.437 124.660 121.223 0.001 0.000 2.307 1168 L HA 0.362 4.702 4.340 0.001 0.000 0.282 1168 L C 0.899 177.766 176.870 -0.005 0.000 1.051 1168 L CA -0.115 54.724 54.840 -0.002 0.000 0.804 1168 L CB 1.060 43.118 42.059 -0.001 0.000 1.197 1168 L HN 0.654 nan 8.230 nan 0.000 0.431 1169 E N 1.037 121.232 120.200 -0.008 0.000 2.816 1169 E HA 0.123 4.474 4.350 0.001 0.000 0.260 1169 E C 0.881 177.475 176.600 -0.009 0.000 1.414 1169 E CA 0.365 56.760 56.400 -0.008 0.000 1.074 1169 E CB 0.320 30.014 29.700 -0.011 0.000 1.123 1169 E HN 0.789 nan 8.360 nan 0.000 0.664 1170 G N 0.594 109.389 108.800 -0.008 0.000 2.666 1170 G HA2 -0.189 3.771 3.960 0.001 0.000 0.215 1170 G HA3 -0.189 3.771 3.960 0.001 0.000 0.215 1170 G C 0.135 175.029 174.900 -0.010 0.000 1.294 1170 G CA 0.617 45.713 45.100 -0.007 0.000 0.811 1170 G HN 0.431 nan 8.290 nan 0.000 0.594 1171 D N 1.726 122.118 120.400 -0.013 0.000 2.479 1171 D HA 0.437 5.078 4.640 0.001 0.000 0.218 1171 D C -0.905 175.378 176.300 -0.028 0.000 1.131 1171 D CA 0.090 54.080 54.000 -0.018 0.000 0.916 1171 D CB 1.209 41.999 40.800 -0.015 0.000 1.022 1171 D HN 0.033 nan 8.370 nan 0.000 0.515 1172 D N 0.111 120.491 120.400 -0.033 0.000 2.493 1172 D HA 0.315 4.955 4.640 0.001 0.000 0.239 1172 D C -0.029 176.225 176.300 -0.076 0.000 1.049 1172 D CA -0.687 53.281 54.000 -0.053 0.000 1.008 1172 D CB 1.784 42.561 40.800 -0.039 0.000 1.398 1172 D HN 0.163 nan 8.370 nan 0.000 0.513 1173 L N 0.232 121.370 121.223 -0.142 0.000 2.433 1173 L HA 0.430 4.770 4.340 0.001 0.000 0.275 1173 L C -0.207 176.603 176.870 -0.100 0.000 1.128 1173 L CA -0.061 54.613 54.840 -0.277 0.000 0.875 1173 L CB -0.008 41.649 42.059 -0.670 0.000 1.171 1173 L HN 0.436 nan 8.230 nan 0.000 0.463 1174 I N 3.138 123.729 120.570 0.034 0.000 3.809 1174 I HA 0.328 4.499 4.170 0.001 0.000 0.245 1174 I C 0.163 176.430 176.117 0.250 0.000 1.119 1174 I CA -0.272 61.115 61.300 0.145 0.000 1.597 1174 I CB 0.319 38.358 38.000 0.065 0.000 1.605 1174 I HN 0.460 nan 8.210 nan 0.000 0.441 1175 L N 0.822 122.142 121.223 0.161 0.000 2.409 1175 L HA 0.496 4.837 4.340 0.001 0.000 0.262 1175 L C -1.337 175.589 176.870 0.093 0.000 0.992 1175 L CA -0.557 54.349 54.840 0.111 0.000 0.817 1175 L CB 2.795 44.887 42.059 0.054 0.000 1.350 1175 L HN 0.095 nan 8.230 nan 0.000 0.411 1176 E N 2.068 122.309 120.200 0.067 0.000 2.214 1176 E HA 0.688 5.039 4.350 0.001 0.000 0.274 1176 E C -1.184 175.431 176.600 0.024 0.000 0.977 1176 E CA -0.345 56.083 56.400 0.046 0.000 0.827 1176 E CB 2.476 32.202 29.700 0.044 0.000 1.130 1176 E HN 0.313 nan 8.360 nan 0.000 0.394 1177 I N 2.246 122.828 120.570 0.020 0.000 2.499 1177 I HA 0.232 4.403 4.170 0.001 0.000 0.288 1177 I C 0.230 176.353 176.117 0.011 0.000 1.048 1177 I CA -0.958 60.350 61.300 0.013 0.000 1.062 1177 I CB 1.548 39.555 38.000 0.012 0.000 1.238 1177 I HN 0.341 nan 8.210 nan 0.000 0.426 1178 E N 0.000 120.204 120.200 0.007 0.000 2.725 1178 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1178 E CA 0.000 56.404 56.400 0.006 0.000 0.976 1178 E CB 0.000 29.702 29.700 0.004 0.000 0.812 1178 E HN 0.000 nan 8.360 nan 0.000 0.440