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 1dq8_1_D DATA FIRST_RESID 458 DATA SEQUENCE GAKFLSDAEI IQLVNAKHIP AYKLETLIET HERGVSIRRQ LLSKKLSEPS DATA SEQUENCE SLQYLPYRDY NYSLVMGACC ENVIGYMPIP VGVAGPLCLD EKEFQVPMAT DATA SEQUENCE TEGCLVASTN RGCRAIGLGG GASSRVLADG MTRGPVVRLP RACDSAEVKA DATA SEQUENCE WLETSEGFAV IKEAFDSTSR FARLQKLHTS IAGRNLYIRF QSRSGDAMGM DATA SEQUENCE NMISKGTEKA LSKLHEYFPE MQILAVSGNY CTDKKPAAIN WIEGRGKSVV DATA SEQUENCE CEAVIPAKVV REVLKTTTEA MIEVNINKNL VGSAMAGSIG GYNAHAANIV DATA SEQUENCE TAIYIACGQD AAQNVGSSNC ITLMEASGPT NEDLYISCTM PSIEIGTVGG DATA SEQUENCE GTNLLPQQAC LQMLGVQGAC KDNPGENARQ LARIVCGTVM AGELSLMAAL DATA SEQUENCE AAGHLVK 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 458 G HA2 0.000 nan 3.960 nan 0.000 0.244 458 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 458 G C 0.000 175.021 174.900 0.201 0.000 0.946 458 G CA 0.000 45.147 45.100 0.079 0.000 0.502 459 A N 0.402 123.301 122.820 0.132 0.000 1.927 459 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 459 A C 2.066 179.719 177.584 0.115 0.000 1.185 459 A CA 2.674 54.771 52.037 0.101 0.000 0.639 459 A CB -0.587 18.448 19.000 0.058 0.000 0.820 459 A HN 0.458 nan 8.150 nan 0.000 0.451 460 K N -1.727 118.755 120.400 0.136 0.000 2.362 460 K HA -0.081 4.239 4.320 -0.000 0.000 0.200 460 K C 0.949 177.511 176.600 -0.065 0.000 1.046 460 K CA 1.028 57.324 56.287 0.014 0.000 0.952 460 K CB -0.216 32.248 32.500 -0.060 0.000 0.753 460 K HN 0.487 nan 8.250 nan 0.000 0.466 461 F N 0.630 120.578 119.950 -0.003 0.000 2.780 461 F HA 0.131 4.658 4.527 -0.000 0.000 0.299 461 F C 0.616 176.414 175.800 -0.004 0.000 1.146 461 F CA 0.245 58.244 58.000 -0.003 0.000 1.428 461 F CB 0.160 39.158 39.000 -0.004 0.000 1.115 461 F HN -0.144 nan 8.300 nan 0.000 0.583 462 L N -0.773 120.533 121.223 0.138 0.000 2.334 462 L HA 0.425 4.765 4.340 -0.000 0.000 0.270 462 L C 0.603 177.493 176.870 0.034 0.000 1.018 462 L CA -0.994 53.892 54.840 0.075 0.000 0.811 462 L CB 1.569 43.666 42.059 0.063 0.000 1.271 462 L HN -0.105 nan 8.230 nan 0.000 0.443 463 S N -1.259 114.453 115.700 0.021 0.000 2.669 463 S HA 0.203 4.673 4.470 -0.000 0.000 0.270 463 S C 0.352 174.955 174.600 0.006 0.000 1.225 463 S CA -0.686 57.518 58.200 0.007 0.000 0.991 463 S CB 1.353 64.556 63.200 0.004 0.000 0.987 463 S HN 0.590 nan 8.310 nan 0.000 0.552 464 D N 1.232 121.633 120.400 0.001 0.000 2.123 464 D HA -0.035 4.605 4.640 -0.000 0.000 0.196 464 D C 2.163 178.460 176.300 -0.005 0.000 0.992 464 D CA 1.879 55.878 54.000 -0.002 0.000 0.833 464 D CB -0.827 39.970 40.800 -0.005 0.000 0.954 464 D HN 0.696 nan 8.370 nan 0.000 0.455 465 A N 0.790 123.608 122.820 -0.004 0.000 1.930 465 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 465 A C 2.039 179.620 177.584 -0.004 0.000 1.175 465 A CA 1.368 53.402 52.037 -0.005 0.000 0.627 465 A CB -0.446 18.552 19.000 -0.005 0.000 0.815 465 A HN 0.211 nan 8.150 nan 0.000 0.443 466 E N -0.328 119.873 120.200 0.001 0.000 2.106 466 E HA -0.106 4.243 4.350 -0.000 0.000 0.192 466 E C 1.835 178.435 176.600 -0.000 0.000 0.984 466 E CA 1.073 57.475 56.400 0.002 0.000 0.806 466 E CB -0.245 29.461 29.700 0.011 0.000 0.750 466 E HN 0.705 nan 8.360 nan 0.000 0.458 467 I N 0.926 121.497 120.570 0.001 0.000 2.252 467 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 467 I C 2.339 178.450 176.117 -0.009 0.000 1.102 467 I CA 0.941 62.239 61.300 -0.003 0.000 1.385 467 I CB -0.184 37.815 38.000 -0.001 0.000 1.064 467 I HN 0.097 nan 8.210 nan 0.000 0.414 468 I N 0.419 120.982 120.570 -0.010 0.000 2.179 468 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 468 I C 2.695 178.806 176.117 -0.010 0.000 1.088 468 I CA 1.482 62.775 61.300 -0.012 0.000 1.357 468 I CB -0.374 37.618 38.000 -0.013 0.000 1.051 468 I HN 0.338 nan 8.210 nan 0.000 0.409 469 Q N 0.633 120.426 119.800 -0.011 0.000 2.226 469 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 469 Q C 2.177 178.164 176.000 -0.021 0.000 0.975 469 Q CA 1.368 57.163 55.803 -0.014 0.000 0.866 469 Q CB 0.086 28.817 28.738 -0.013 0.000 0.915 469 Q HN 0.400 nan 8.270 nan 0.000 0.440 470 L N -0.635 120.577 121.223 -0.019 0.000 2.162 470 L HA -0.033 4.306 4.340 -0.000 0.000 0.205 470 L C 1.983 178.837 176.870 -0.027 0.000 1.086 470 L CA 0.965 55.790 54.840 -0.025 0.000 0.778 470 L CB -0.179 41.870 42.059 -0.017 0.000 0.928 470 L HN 0.037 nan 8.230 nan 0.000 0.446 471 V N 0.272 120.176 119.914 -0.017 0.000 2.358 471 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 471 V C 2.273 178.377 176.094 0.017 0.000 1.047 471 V CA 1.777 64.071 62.300 -0.009 0.000 1.035 471 V CB -0.747 31.069 31.823 -0.012 0.000 0.658 471 V HN 0.504 nan 8.190 nan 0.000 0.452 472 N N 0.321 119.030 118.700 0.015 0.000 2.216 472 N HA -0.050 4.690 4.740 -0.000 0.000 0.183 472 N C 1.890 177.353 175.510 -0.077 0.000 1.017 472 N CA 1.414 54.489 53.050 0.042 0.000 0.861 472 N CB -0.428 38.075 38.487 0.027 0.000 0.986 472 N HN 0.464 nan 8.380 nan 0.000 0.428 473 A N 2.259 125.023 122.820 -0.093 0.000 1.848 473 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 473 A C 1.638 179.075 177.584 -0.245 0.000 1.220 473 A CA 2.242 54.195 52.037 -0.141 0.000 0.645 473 A CB -0.603 18.347 19.000 -0.083 0.000 0.842 473 A HN 0.526 nan 8.150 nan 0.000 0.451 474 K N -1.655 118.644 120.400 -0.168 0.000 2.675 474 K HA 0.195 4.515 4.320 -0.000 0.000 0.213 474 K C -0.664 175.886 176.600 -0.083 0.000 1.074 474 K CA -0.203 55.985 56.287 -0.164 0.000 1.172 474 K CB -0.071 32.381 32.500 -0.081 0.000 0.927 474 K HN 0.438 nan 8.250 nan 0.000 0.471 475 H N 0.997 120.051 119.070 -0.027 0.000 2.673 475 H HA -0.145 4.411 4.556 -0.000 0.000 0.318 475 H C -0.557 174.740 175.328 -0.053 0.000 0.998 475 H CA 0.355 56.383 56.048 -0.034 0.000 1.045 475 H CB -1.184 28.564 29.762 -0.023 0.000 1.623 475 H HN 0.373 nan 8.280 nan 0.000 0.359 476 I N 3.243 123.840 120.570 0.046 0.000 2.325 476 I HA 0.052 4.222 4.170 -0.000 0.000 0.291 476 I C -0.630 175.427 176.117 -0.100 0.000 1.019 476 I CA -2.157 59.115 61.300 -0.046 0.000 1.302 476 I CB 0.968 38.931 38.000 -0.061 0.000 1.401 476 I HN 0.102 nan 8.210 nan 0.000 0.485 477 P HA -0.317 nan 4.420 nan 0.000 0.222 477 P C 0.895 178.055 177.300 -0.234 0.000 1.159 477 P CA 3.164 66.078 63.100 -0.310 0.000 0.920 477 P CB 0.455 31.633 31.700 -0.870 0.000 0.793 478 A N -4.277 118.375 122.820 -0.280 0.000 3.287 478 A HA -0.232 4.087 4.320 -0.000 0.000 0.208 478 A C 1.519 179.052 177.584 -0.085 0.000 0.714 478 A CA 0.690 52.652 52.037 -0.125 0.000 1.993 478 A CB -2.609 16.369 19.000 -0.036 0.000 0.823 478 A HN 0.309 nan 8.150 nan 0.000 0.632 479 Y N 0.579 120.876 120.300 -0.006 0.000 2.616 479 Y HA 0.414 4.964 4.550 -0.000 0.000 0.296 479 Y C 1.369 177.271 175.900 0.004 0.000 1.154 479 Y CA 1.324 59.422 58.100 -0.005 0.000 1.325 479 Y CB -0.394 38.064 38.460 -0.003 0.000 1.007 479 Y HN 0.379 nan 8.280 nan 0.000 0.542 480 K N 0.505 120.770 120.400 -0.226 0.000 2.374 480 K HA 0.223 4.543 4.320 -0.000 0.000 0.196 480 K C 1.389 177.956 176.600 -0.055 0.000 1.023 480 K CA -0.034 56.177 56.287 -0.126 0.000 1.103 480 K CB 0.088 32.437 32.500 -0.251 0.000 0.848 480 K HN 0.381 nan 8.250 nan 0.000 0.528 481 L N 1.032 122.228 121.223 -0.045 0.000 2.129 481 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 481 L C 1.499 178.377 176.870 0.014 0.000 1.087 481 L CA 1.431 56.259 54.840 -0.020 0.000 0.757 481 L CB -0.230 41.816 42.059 -0.023 0.000 0.896 481 L HN 0.173 nan 8.230 nan 0.000 0.434 482 E N -1.046 119.181 120.200 0.045 0.000 2.418 482 E HA -0.108 4.241 4.350 -0.000 0.000 0.197 482 E C 2.000 178.642 176.600 0.070 0.000 1.026 482 E CA 0.943 57.398 56.400 0.092 0.000 0.862 482 E CB -0.039 29.759 29.700 0.163 0.000 0.799 482 E HN 0.368 nan 8.360 nan 0.000 0.518 483 T N 0.278 114.858 114.554 0.043 0.000 2.809 483 T HA -0.041 4.309 4.350 -0.000 0.000 0.260 483 T C 1.452 176.163 174.700 0.017 0.000 1.039 483 T CA 0.540 62.659 62.100 0.032 0.000 1.141 483 T CB -0.041 68.839 68.868 0.020 0.000 0.869 483 T HN -0.015 nan 8.240 nan 0.000 0.437 484 L N 0.761 121.989 121.223 0.007 0.000 1.950 484 L HA 0.196 4.535 4.340 -0.000 0.000 0.210 484 L C 1.108 177.986 176.870 0.013 0.000 1.079 484 L CA 1.122 55.965 54.840 0.005 0.000 0.754 484 L CB -0.838 41.218 42.059 -0.005 0.000 0.889 484 L HN 0.244 nan 8.230 nan 0.000 0.433 485 I N 0.534 121.112 120.570 0.015 0.000 2.948 485 I HA -0.150 4.020 4.170 -0.000 0.000 0.290 485 I C 1.678 177.802 176.117 0.012 0.000 1.226 485 I CA 0.290 61.602 61.300 0.019 0.000 1.413 485 I CB 0.277 38.289 38.000 0.020 0.000 1.352 485 I HN 0.442 nan 8.210 nan 0.000 0.597 486 E N 2.187 122.392 120.200 0.009 0.000 2.060 486 E HA -0.016 4.334 4.350 -0.000 0.000 0.189 486 E C 0.248 176.818 176.600 -0.051 0.000 0.974 486 E CA 0.555 56.947 56.400 -0.013 0.000 0.808 486 E CB -0.147 29.556 29.700 0.006 0.000 0.768 486 E HN 0.607 nan 8.360 nan 0.000 0.453 487 T N 0.386 114.928 114.554 -0.020 0.000 2.882 487 T HA 0.140 4.490 4.350 -0.000 0.000 0.287 487 T C 0.254 174.977 174.700 0.038 0.000 0.992 487 T CA -0.360 61.731 62.100 -0.015 0.000 1.076 487 T CB 1.187 70.076 68.868 0.035 0.000 0.961 487 T HN 0.203 nan 8.240 nan 0.000 0.490 488 H N 0.959 120.076 119.070 0.078 0.000 2.321 488 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 488 H C 2.274 177.621 175.328 0.031 0.000 1.087 488 H CA 1.515 57.606 56.048 0.072 0.000 1.319 488 H CB 0.386 30.245 29.762 0.163 0.000 1.379 488 H HN 0.740 nan 8.280 nan 0.000 0.501 489 E N 0.953 121.312 120.200 0.265 0.000 2.118 489 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 489 E C 2.353 179.053 176.600 0.167 0.000 0.992 489 E CA 0.845 57.390 56.400 0.242 0.000 0.804 489 E CB 0.083 29.963 29.700 0.300 0.000 0.741 489 E HN 0.299 nan 8.360 nan 0.000 0.458 490 R N -0.456 120.115 120.500 0.119 0.000 2.092 490 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 490 R C 2.352 178.669 176.300 0.028 0.000 1.119 490 R CA 1.294 57.440 56.100 0.077 0.000 0.970 490 R CB -0.422 29.910 30.300 0.054 0.000 0.864 490 R HN 0.258 nan 8.270 nan 0.000 0.440 491 G N -0.068 108.746 108.800 0.024 0.000 2.442 491 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.219 491 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.219 491 G C 1.336 176.197 174.900 -0.065 0.000 1.141 491 G CA 0.895 45.991 45.100 -0.007 0.000 0.763 491 G HN 0.225 nan 8.290 nan 0.000 0.554 492 V N 0.562 120.409 119.914 -0.111 0.000 2.453 492 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 492 V C 2.986 178.934 176.094 -0.243 0.000 1.048 492 V CA 2.043 64.222 62.300 -0.203 0.000 1.049 492 V CB -0.126 31.510 31.823 -0.312 0.000 0.672 492 V HN 0.485 nan 8.190 nan 0.000 0.457 493 S N -0.153 115.445 115.700 -0.170 0.000 2.356 493 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 493 S C 1.957 176.456 174.600 -0.169 0.000 1.032 493 S CA 1.765 59.825 58.200 -0.233 0.000 1.005 493 S CB -0.323 62.876 63.200 -0.001 0.000 0.867 493 S HN 0.504 nan 8.310 nan 0.000 0.449 494 I N 0.945 121.459 120.570 -0.093 0.000 2.226 494 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 494 I C 2.805 178.871 176.117 -0.084 0.000 1.100 494 I CA 1.374 62.631 61.300 -0.071 0.000 1.374 494 I CB -0.346 37.630 38.000 -0.039 0.000 1.057 494 I HN 0.327 nan 8.210 nan 0.000 0.413 495 R N 1.172 121.614 120.500 -0.097 0.000 2.081 495 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 495 R C 2.438 178.674 176.300 -0.108 0.000 1.131 495 R CA 1.482 57.530 56.100 -0.087 0.000 0.960 495 R CB -0.102 30.148 30.300 -0.082 0.000 0.856 495 R HN 0.224 nan 8.270 nan 0.000 0.436 496 R N -0.048 120.352 120.500 -0.168 0.000 2.091 496 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 496 R C 2.503 178.723 176.300 -0.132 0.000 1.136 496 R CA 2.066 58.054 56.100 -0.185 0.000 0.959 496 R CB -0.204 29.904 30.300 -0.320 0.000 0.856 496 R HN 0.436 nan 8.270 nan 0.000 0.437 497 Q N 0.133 119.861 119.800 -0.119 0.000 2.046 497 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 497 Q C 2.125 178.091 176.000 -0.058 0.000 0.975 497 Q CA 1.071 56.826 55.803 -0.080 0.000 0.836 497 Q CB -0.126 28.572 28.738 -0.066 0.000 0.896 497 Q HN 0.160 nan 8.270 nan 0.000 0.428 498 L N 0.557 121.748 121.223 -0.054 0.000 1.989 498 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 498 L C 2.254 179.103 176.870 -0.035 0.000 1.071 498 L CA 1.424 56.242 54.840 -0.037 0.000 0.749 498 L CB -0.822 41.217 42.059 -0.034 0.000 0.890 498 L HN 0.262 nan 8.230 nan 0.000 0.431 499 L N -1.297 119.900 121.223 -0.044 0.000 2.042 499 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 499 L C 2.501 179.348 176.870 -0.038 0.000 1.076 499 L CA 1.918 56.734 54.840 -0.039 0.000 0.749 499 L CB -0.857 41.173 42.059 -0.048 0.000 0.893 499 L HN 0.223 nan 8.230 nan 0.000 0.432 500 S N -0.189 115.482 115.700 -0.048 0.000 2.387 500 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 500 S C 1.748 176.330 174.600 -0.031 0.000 1.035 500 S CA 1.697 59.871 58.200 -0.044 0.000 1.014 500 S CB -0.379 62.789 63.200 -0.054 0.000 0.836 500 S HN 0.550 nan 8.310 nan 0.000 0.466 501 K N 0.816 121.199 120.400 -0.027 0.000 2.439 501 K HA 0.051 4.371 4.320 -0.000 0.000 0.197 501 K C 1.321 177.912 176.600 -0.015 0.000 1.041 501 K CA 0.670 56.946 56.287 -0.019 0.000 0.970 501 K CB 0.019 32.509 32.500 -0.016 0.000 0.773 501 K HN 0.232 nan 8.250 nan 0.000 0.479 502 K N 0.624 121.014 120.400 -0.016 0.000 2.372 502 K HA 0.203 4.523 4.320 -0.000 0.000 0.200 502 K C -0.167 176.426 176.600 -0.013 0.000 1.022 502 K CA -0.068 56.211 56.287 -0.013 0.000 1.125 502 K CB 0.416 32.908 32.500 -0.013 0.000 0.855 502 K HN 0.017 nan 8.250 nan 0.000 0.524 503 L N 0.493 121.707 121.223 -0.015 0.000 2.334 503 L HA 0.191 4.531 4.340 -0.000 0.000 0.275 503 L C 1.598 178.462 176.870 -0.010 0.000 1.036 503 L CA -0.486 54.346 54.840 -0.013 0.000 0.807 503 L CB 1.751 43.800 42.059 -0.017 0.000 1.231 503 L HN 0.046 nan 8.230 nan 0.000 0.438 504 S N 0.025 115.721 115.700 -0.007 0.000 2.399 504 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 504 S C 0.627 175.224 174.600 -0.005 0.000 1.022 504 S CA 0.735 58.932 58.200 -0.005 0.000 0.983 504 S CB -0.143 63.055 63.200 -0.003 0.000 0.803 504 S HN 0.724 nan 8.310 nan 0.000 0.480 505 E N 1.733 121.930 120.200 -0.006 0.000 2.207 505 E HA 0.329 4.679 4.350 -0.000 0.000 0.250 505 E C -2.361 174.231 176.600 -0.013 0.000 0.890 505 E CA -2.567 53.829 56.400 -0.006 0.000 0.749 505 E CB 1.408 31.108 29.700 -0.000 0.000 1.193 505 E HN 0.066 nan 8.360 nan 0.000 0.423 506 P HA -0.187 nan 4.420 nan 0.000 0.216 506 P C 0.863 178.142 177.300 -0.036 0.000 1.150 506 P CA 1.224 64.309 63.100 -0.025 0.000 0.843 506 P CB 0.222 31.908 31.700 -0.023 0.000 0.787 507 S N -1.887 113.791 115.700 -0.036 0.000 2.614 507 S HA 0.072 4.542 4.470 -0.000 0.000 0.230 507 S C 1.552 176.119 174.600 -0.056 0.000 0.952 507 S CA 0.194 58.361 58.200 -0.055 0.000 0.949 507 S CB -1.159 62.006 63.200 -0.058 0.000 0.786 507 S HN 0.145 nan 8.310 nan 0.000 0.478 508 S N 1.847 117.528 115.700 -0.032 0.000 2.465 508 S HA 0.053 4.523 4.470 -0.000 0.000 0.241 508 S C 1.414 176.000 174.600 -0.023 0.000 1.000 508 S CA 0.553 58.745 58.200 -0.013 0.000 0.964 508 S CB -0.743 62.455 63.200 -0.004 0.000 0.763 508 S HN 0.613 nan 8.310 nan 0.000 0.512 509 L N 0.643 121.832 121.223 -0.057 0.000 2.592 509 L HA 0.165 4.504 4.340 -0.000 0.000 0.227 509 L C 2.719 179.526 176.870 -0.106 0.000 1.127 509 L CA 0.224 55.023 54.840 -0.069 0.000 0.884 509 L CB -0.495 41.512 42.059 -0.087 0.000 1.065 509 L HN 0.407 nan 8.230 nan 0.000 0.457 510 Q N 0.644 120.335 119.800 -0.182 0.000 2.173 510 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 510 Q C 1.200 176.920 176.000 -0.466 0.000 0.989 510 Q CA 2.095 57.681 55.803 -0.362 0.000 0.872 510 Q CB -0.035 28.369 28.738 -0.556 0.000 0.909 510 Q HN 0.572 nan 8.270 nan 0.000 0.420 511 Y N -0.527 119.768 120.300 -0.007 0.000 2.468 511 Y HA 0.231 4.781 4.550 -0.000 0.000 0.268 511 Y C 0.267 176.143 175.900 -0.040 0.000 1.177 511 Y CA -0.512 57.579 58.100 -0.016 0.000 1.265 511 Y CB 0.677 39.129 38.460 -0.013 0.000 1.103 511 Y HN 0.087 nan 8.280 nan 0.000 0.522 512 L N 3.918 125.158 121.223 0.028 0.000 2.268 512 L HA 0.357 4.697 4.340 -0.000 0.000 0.289 512 L C -2.537 174.284 176.870 -0.081 0.000 1.064 512 L CA -1.896 52.921 54.840 -0.038 0.000 0.824 512 L CB 0.924 42.956 42.059 -0.045 0.000 1.202 512 L HN -0.047 nan 8.230 nan 0.000 0.433 513 P HA 0.087 nan 4.420 nan 0.000 0.272 513 P C -0.880 176.163 177.300 -0.428 0.000 1.230 513 P CA 0.284 63.160 63.100 -0.373 0.000 0.788 513 P CB 0.473 31.758 31.700 -0.693 0.000 0.949 514 Y N -2.069 118.070 120.300 -0.269 0.000 2.493 514 Y HA 0.350 4.900 4.550 -0.000 0.000 0.295 514 Y C 0.361 176.512 175.900 0.418 0.000 0.999 514 Y CA -0.483 57.676 58.100 0.099 0.000 1.010 514 Y CB -0.070 38.442 38.460 0.087 0.000 1.402 514 Y HN -0.013 nan 8.280 nan 0.000 0.586 515 R N 2.557 122.818 120.500 -0.398 0.000 2.637 515 R HA 0.148 4.488 4.340 -0.000 0.000 0.269 515 R C -0.489 175.869 176.300 0.097 0.000 1.089 515 R CA 0.356 56.297 56.100 -0.266 0.000 1.177 515 R CB -0.023 30.020 30.300 -0.429 0.000 1.091 515 R HN 0.289 nan 8.270 nan 0.000 0.540 516 D N -0.106 120.335 120.400 0.069 0.000 2.708 516 D HA -0.254 4.386 4.640 -0.000 0.000 0.236 516 D C -1.101 175.238 176.300 0.064 0.000 1.146 516 D CA 1.301 55.337 54.000 0.060 0.000 0.662 516 D CB -1.253 39.572 40.800 0.043 0.000 1.059 516 D HN 0.423 nan 8.370 nan 0.000 0.428 517 Y N 0.462 120.688 120.300 -0.123 0.000 2.457 517 Y HA 0.287 4.836 4.550 -0.000 0.000 0.343 517 Y C -0.175 175.455 175.900 -0.449 0.000 0.994 517 Y CA -1.259 56.620 58.100 -0.368 0.000 1.031 517 Y CB 1.165 39.296 38.460 -0.549 0.000 1.246 517 Y HN -0.115 nan 8.280 nan 0.000 0.449 518 N N 5.261 123.345 118.700 -1.026 0.000 2.400 518 N HA -0.053 4.687 4.740 -0.000 0.000 0.278 518 N C -0.203 174.942 175.510 -0.609 0.000 1.247 518 N CA 0.669 53.326 53.050 -0.655 0.000 0.970 518 N CB 0.087 38.237 38.487 -0.562 0.000 1.312 518 N HN 0.845 nan 8.380 nan 0.000 0.488 519 Y N 1.044 121.311 120.300 -0.055 0.000 2.517 519 Y HA -0.108 4.442 4.550 -0.000 0.000 0.281 519 Y C 2.512 178.296 175.900 -0.194 0.000 1.125 519 Y CA 0.438 58.520 58.100 -0.029 0.000 1.283 519 Y CB 0.281 38.743 38.460 0.004 0.000 1.042 519 Y HN 0.590 nan 8.280 nan 0.000 0.547 520 S N -0.107 115.631 115.700 0.063 0.000 2.383 520 S HA -0.184 4.285 4.470 -0.000 0.000 0.229 520 S C 1.742 176.355 174.600 0.021 0.000 1.030 520 S CA 1.186 59.448 58.200 0.103 0.000 1.002 520 S CB -0.652 62.669 63.200 0.200 0.000 0.829 520 S HN 0.279 nan 8.310 nan 0.000 0.467 521 L N 1.121 122.330 121.223 -0.024 0.000 2.217 521 L HA 0.178 4.518 4.340 -0.000 0.000 0.211 521 L C 2.521 179.391 176.870 0.001 0.000 1.107 521 L CA 0.703 55.528 54.840 -0.026 0.000 0.783 521 L CB -0.793 41.222 42.059 -0.072 0.000 0.919 521 L HN 0.249 nan 8.230 nan 0.000 0.442 522 V N -1.551 118.379 119.914 0.026 0.000 2.379 522 V HA -0.023 4.097 4.120 -0.000 0.000 0.243 522 V C 1.423 177.550 176.094 0.055 0.000 1.035 522 V CA 0.396 62.747 62.300 0.086 0.000 1.035 522 V CB -0.252 31.703 31.823 0.221 0.000 0.673 522 V HN 0.190 nan 8.190 nan 0.000 0.457 523 M N 0.495 120.094 119.600 -0.002 0.000 2.249 523 M HA 0.207 4.687 4.480 -0.000 0.000 0.340 523 M C 1.497 177.803 176.300 0.010 0.000 1.166 523 M CA 1.352 56.633 55.300 -0.031 0.000 1.115 523 M CB -0.943 31.552 32.600 -0.175 0.000 1.606 523 M HN 0.496 nan 8.290 nan 0.000 0.448 524 G N 1.930 110.747 108.800 0.028 0.000 2.175 524 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.265 524 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.265 524 G C 0.554 175.470 174.900 0.026 0.000 0.979 524 G CA 0.921 46.042 45.100 0.034 0.000 0.663 524 G HN 1.055 nan 8.290 nan 0.000 0.533 525 A N -2.828 120.007 122.820 0.024 0.000 1.704 525 A HA 0.475 4.795 4.320 -0.000 0.000 0.205 525 A C 1.711 179.308 177.584 0.021 0.000 1.837 525 A CA 1.657 53.706 52.037 0.020 0.000 1.364 525 A CB -0.207 18.802 19.000 0.017 0.000 1.377 525 A HN 0.905 nan 8.150 nan 0.000 0.390 526 C N -1.139 118.181 119.300 0.033 0.000 3.270 526 C HA 0.597 5.057 4.460 -0.000 0.000 0.369 526 C C 0.587 175.603 174.990 0.044 0.000 1.326 526 C CA -0.138 58.902 59.018 0.038 0.000 1.846 526 C CB -0.552 27.217 27.740 0.049 0.000 2.534 526 C HN 0.679 nan 8.230 nan 0.000 0.649 527 C N 0.968 120.299 119.300 0.051 0.000 3.284 527 C HA 0.630 5.090 4.460 -0.000 0.000 0.338 527 C C -1.973 173.043 174.990 0.043 0.000 1.237 527 C CA -0.208 58.840 59.018 0.050 0.000 1.276 527 C CB 1.199 28.984 27.740 0.076 0.000 1.601 527 C HN 0.528 nan 8.230 nan 0.000 0.494 528 E N 1.478 121.696 120.200 0.030 0.000 2.359 528 E HA 0.527 4.877 4.350 -0.000 0.000 0.266 528 E C -0.267 176.353 176.600 0.033 0.000 0.920 528 E CA -0.444 55.974 56.400 0.028 0.000 0.788 528 E CB 0.815 30.516 29.700 0.001 0.000 1.279 528 E HN 0.636 nan 8.360 nan 0.000 0.438 529 N N -0.131 118.602 118.700 0.054 0.000 2.725 529 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 529 N C -1.228 174.292 175.510 0.017 0.000 1.031 529 N CA 0.321 53.403 53.050 0.054 0.000 0.720 529 N CB -0.909 37.615 38.487 0.062 0.000 0.930 529 N HN 0.255 nan 8.380 nan 0.000 0.543 530 V N 1.355 121.271 119.914 0.003 0.000 2.655 530 V HA 0.093 4.213 4.120 -0.000 0.000 0.300 530 V C 1.887 177.948 176.094 -0.056 0.000 1.044 530 V CA 0.633 62.931 62.300 -0.003 0.000 1.095 530 V CB 0.901 32.733 31.823 0.016 0.000 0.952 530 V HN 0.393 nan 8.190 nan 0.000 0.485 531 I N 0.722 121.275 120.570 -0.029 0.000 4.338 531 I HA 0.757 4.927 4.170 -0.000 0.000 0.329 531 I C 0.629 176.725 176.117 -0.034 0.000 1.378 531 I CA 0.291 61.544 61.300 -0.078 0.000 1.170 531 I CB 0.578 38.532 38.000 -0.075 0.000 1.206 531 I HN 0.768 nan 8.210 nan 0.000 0.432 532 G N 1.653 110.509 108.800 0.094 0.000 2.334 532 G HA2 0.200 4.160 3.960 -0.000 0.000 0.249 532 G HA3 0.200 4.160 3.960 -0.000 0.000 0.249 532 G C -1.902 173.110 174.900 0.185 0.000 1.327 532 G CA -0.209 44.999 45.100 0.180 0.000 0.979 532 G HN 0.429 nan 8.290 nan 0.000 0.471 533 Y N -2.406 117.893 120.300 -0.001 0.000 2.571 533 Y HA 0.866 5.416 4.550 -0.000 0.000 0.341 533 Y C -0.584 175.270 175.900 -0.075 0.000 1.076 533 Y CA -1.840 56.178 58.100 -0.138 0.000 1.029 533 Y CB 1.971 40.157 38.460 -0.456 0.000 1.308 533 Y HN 0.783 nan 8.280 nan 0.000 0.461 534 M N 4.012 123.693 119.600 0.135 0.000 2.114 534 M HA 0.615 5.095 4.480 -0.000 0.000 0.332 534 M C -3.017 173.364 176.300 0.134 0.000 1.014 534 M CA -2.628 52.723 55.300 0.085 0.000 0.956 534 M CB 1.010 33.638 32.600 0.046 0.000 1.551 534 M HN 0.493 nan 8.290 nan 0.000 0.427 535 P HA 0.330 nan 4.420 nan 0.000 0.282 535 P C -1.245 176.097 177.300 0.070 0.000 1.274 535 P CA -0.198 62.979 63.100 0.129 0.000 0.770 535 P CB 0.346 32.129 31.700 0.138 0.000 0.867 536 I N 5.351 125.954 120.570 0.054 0.000 2.355 536 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 536 I C -2.132 174.005 176.117 0.033 0.000 0.999 536 I CA -3.197 58.126 61.300 0.038 0.000 1.163 536 I CB 0.927 38.947 38.000 0.034 0.000 1.316 536 I HN 0.144 nan 8.210 nan 0.000 0.454 537 P HA 0.074 nan 4.420 nan 0.000 0.264 537 P C -0.524 176.789 177.300 0.021 0.000 1.183 537 P CA 0.049 63.163 63.100 0.023 0.000 0.763 537 P CB 0.603 32.314 31.700 0.018 0.000 0.807 538 V N 3.456 123.382 119.914 0.020 0.000 2.409 538 V HA 0.661 4.781 4.120 -0.000 0.000 0.291 538 V C 0.757 176.861 176.094 0.017 0.000 1.020 538 V CA -0.231 62.080 62.300 0.019 0.000 0.848 538 V CB 1.496 33.330 31.823 0.018 0.000 0.990 538 V HN 0.761 nan 8.190 nan 0.000 0.430 539 G N 2.534 111.344 108.800 0.017 0.000 2.568 539 G HA2 0.674 4.634 3.960 -0.000 0.000 0.313 539 G HA3 0.674 4.634 3.960 -0.000 0.000 0.313 539 G C -1.446 173.465 174.900 0.019 0.000 1.227 539 G CA -0.721 44.389 45.100 0.017 0.000 0.979 539 G HN 0.619 nan 8.290 nan 0.000 0.486 540 V N -0.203 119.723 119.914 0.020 0.000 2.540 540 V HA 0.799 4.919 4.120 -0.000 0.000 0.302 540 V C -0.230 175.879 176.094 0.025 0.000 1.035 540 V CA -0.448 61.866 62.300 0.024 0.000 0.873 540 V CB 1.374 33.212 31.823 0.025 0.000 0.992 540 V HN 1.289 nan 8.190 nan 0.000 0.428 541 A N 4.499 127.337 122.820 0.030 0.000 2.342 541 A HA 1.053 5.373 4.320 -0.000 0.000 0.323 541 A C 0.140 177.749 177.584 0.042 0.000 1.125 541 A CA 0.171 52.227 52.037 0.031 0.000 0.785 541 A CB 1.486 20.503 19.000 0.028 0.000 1.221 541 A HN 2.199 nan 8.150 nan 0.000 0.463 542 G N 1.318 110.142 108.800 0.040 0.000 2.356 542 G HA2 0.429 4.389 3.960 -0.000 0.000 0.300 542 G HA3 0.429 4.389 3.960 -0.000 0.000 0.300 542 G C -3.428 171.491 174.900 0.033 0.000 1.331 542 G CA -0.431 44.698 45.100 0.048 0.000 0.905 542 G HN 0.726 nan 8.290 nan 0.000 0.587 543 P HA 0.433 nan 4.420 nan 0.000 0.275 543 P C -0.653 176.681 177.300 0.056 0.000 1.227 543 P CA -0.293 62.829 63.100 0.037 0.000 0.781 543 P CB 1.669 33.373 31.700 0.006 0.000 0.906 544 L N 4.705 125.990 121.223 0.104 0.000 2.259 544 L HA 0.279 4.619 4.340 -0.000 0.000 0.288 544 L C -0.643 176.312 176.870 0.141 0.000 1.051 544 L CA -0.518 54.400 54.840 0.130 0.000 0.824 544 L CB -0.215 41.951 42.059 0.179 0.000 1.206 544 L HN 0.339 nan 8.230 nan 0.000 0.429 545 C N 6.337 125.686 119.300 0.080 0.000 2.289 545 C HA 0.554 5.014 4.460 -0.000 0.000 0.340 545 C C 0.014 175.058 174.990 0.090 0.000 1.152 545 C CA -0.676 58.373 59.018 0.052 0.000 1.650 545 C CB -1.031 26.723 27.740 0.023 0.000 2.203 545 C HN 0.716 nan 8.230 nan 0.000 0.511 546 L N 4.188 125.498 121.223 0.146 0.000 2.409 546 L HA 0.466 4.806 4.340 -0.000 0.000 0.272 546 L C -0.259 176.715 176.870 0.172 0.000 0.980 546 L CA 0.492 55.441 54.840 0.181 0.000 0.826 546 L CB 1.007 43.231 42.059 0.275 0.000 1.268 546 L HN 0.688 nan 8.230 nan 0.000 0.407 547 D N 4.403 124.868 120.400 0.108 0.000 2.697 547 D HA -0.245 4.395 4.640 -0.000 0.000 0.235 547 D C 0.240 176.573 176.300 0.056 0.000 1.167 547 D CA 1.294 55.345 54.000 0.085 0.000 0.656 547 D CB -0.427 40.436 40.800 0.105 0.000 1.025 547 D HN 0.975 nan 8.370 nan 0.000 0.419 548 E N -2.266 117.951 120.200 0.029 0.000 3.286 548 E HA -0.272 4.078 4.350 -0.000 0.000 0.292 548 E C 0.178 176.749 176.600 -0.048 0.000 0.928 548 E CA 1.239 57.637 56.400 -0.004 0.000 0.982 548 E CB -0.507 29.194 29.700 0.001 0.000 1.500 548 E HN 0.526 nan 8.360 nan 0.000 0.441 549 K N -0.006 120.345 120.400 -0.082 0.000 2.395 549 K HA 0.525 4.845 4.320 -0.000 0.000 0.245 549 K C -0.684 175.704 176.600 -0.353 0.000 1.017 549 K CA -0.714 55.414 56.287 -0.265 0.000 0.852 549 K CB 1.698 33.951 32.500 -0.412 0.000 1.311 549 K HN -0.057 nan 8.250 nan 0.000 0.452 550 E N 1.410 121.302 120.200 -0.514 0.000 2.216 550 E HA 0.294 4.644 4.350 -0.000 0.000 0.260 550 E C -1.395 174.911 176.600 -0.491 0.000 0.880 550 E CA -0.420 55.765 56.400 -0.358 0.000 0.765 550 E CB 1.157 30.753 29.700 -0.173 0.000 1.174 550 E HN 0.250 nan 8.360 nan 0.000 0.417 551 F N 1.486 121.438 119.950 0.003 0.000 2.450 551 F HA 0.279 4.806 4.527 -0.000 0.000 0.332 551 F C 0.578 176.380 175.800 0.003 0.000 1.093 551 F CA -0.994 57.008 58.000 0.003 0.000 1.003 551 F CB 1.464 40.467 39.000 0.004 0.000 1.151 551 F HN 0.122 nan 8.300 nan 0.000 0.474 552 Q N 3.069 122.981 119.800 0.186 0.000 2.398 552 Q HA 0.341 4.680 4.340 -0.000 0.000 0.251 552 Q C -0.785 175.280 176.000 0.109 0.000 0.999 552 Q CA -0.504 55.364 55.803 0.107 0.000 0.874 552 Q CB 1.874 30.651 28.738 0.064 0.000 1.215 552 Q HN 0.399 nan 8.270 nan 0.000 0.470 553 V N 5.481 125.448 119.914 0.088 0.000 2.408 553 V HA 0.260 4.380 4.120 -0.000 0.000 0.267 553 V C -2.101 174.015 176.094 0.037 0.000 1.047 553 V CA -1.692 60.642 62.300 0.057 0.000 0.937 553 V CB 0.869 32.717 31.823 0.040 0.000 0.999 553 V HN 0.527 nan 8.190 nan 0.000 0.472 554 P HA 0.469 nan 4.420 nan 0.000 0.285 554 P C -0.779 176.534 177.300 0.022 0.000 1.259 554 P CA -0.331 62.783 63.100 0.024 0.000 0.794 554 P CB 0.682 32.394 31.700 0.021 0.000 0.940 555 M N 2.171 121.783 119.600 0.020 0.000 2.165 555 M HA 0.527 5.007 4.480 -0.000 0.000 0.283 555 M C -0.661 175.651 176.300 0.019 0.000 0.978 555 M CA -0.742 54.569 55.300 0.018 0.000 0.948 555 M CB 2.513 35.119 32.600 0.010 0.000 1.599 555 M HN 0.241 nan 8.290 nan 0.000 0.450 556 A N 2.540 125.374 122.820 0.023 0.000 2.279 556 A HA 0.770 5.090 4.320 -0.000 0.000 0.306 556 A C -0.159 177.436 177.584 0.019 0.000 1.300 556 A CA -0.227 51.824 52.037 0.023 0.000 0.925 556 A CB 0.651 19.669 19.000 0.029 0.000 1.152 556 A HN 0.778 nan 8.150 nan 0.000 0.544 557 T N 0.132 114.696 114.554 0.016 0.000 2.802 557 T HA 0.546 4.896 4.350 -0.000 0.000 0.311 557 T C 0.437 175.145 174.700 0.013 0.000 1.405 557 T CA 0.372 62.480 62.100 0.012 0.000 1.016 557 T CB 1.367 70.239 68.868 0.008 0.000 1.352 557 T HN 1.025 nan 8.240 nan 0.000 0.498 558 T N -0.956 113.605 114.554 0.011 0.000 3.145 558 T HA 0.393 4.743 4.350 -0.000 0.000 0.281 558 T C 0.192 174.898 174.700 0.009 0.000 1.003 558 T CA -0.303 61.803 62.100 0.010 0.000 0.901 558 T CB 0.020 68.894 68.868 0.009 0.000 1.112 558 T HN 0.540 nan 8.240 nan 0.000 0.535 559 E N 1.619 121.826 120.200 0.011 0.000 2.081 559 E HA 0.502 4.852 4.350 -0.000 0.000 0.281 559 E C 0.520 177.130 176.600 0.017 0.000 0.986 559 E CA -0.714 55.695 56.400 0.015 0.000 0.796 559 E CB 0.549 30.262 29.700 0.020 0.000 1.085 559 E HN 0.522 nan 8.360 nan 0.000 0.398 560 G N 2.330 111.138 108.800 0.014 0.000 2.414 560 G HA2 0.043 4.003 3.960 -0.000 0.000 0.236 560 G HA3 0.043 4.003 3.960 -0.000 0.000 0.236 560 G C 0.580 175.491 174.900 0.019 0.000 1.293 560 G CA 0.006 45.113 45.100 0.013 0.000 0.869 560 G HN 0.935 nan 8.290 nan 0.000 0.556 561 C N 0.668 119.980 119.300 0.019 0.000 5.538 561 C HA -0.197 4.263 4.460 -0.000 0.000 0.254 561 C C 2.352 177.367 174.990 0.042 0.000 1.712 561 C CA 0.654 59.687 59.018 0.025 0.000 1.530 561 C CB -1.999 25.754 27.740 0.021 0.000 2.410 561 C HN 0.859 nan 8.230 nan 0.000 0.564 562 L N 1.538 122.790 121.223 0.048 0.000 1.994 562 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 562 L C 2.292 179.189 176.870 0.046 0.000 1.071 562 L CA 2.662 57.541 54.840 0.064 0.000 0.745 562 L CB -0.601 41.485 42.059 0.045 0.000 0.892 562 L HN 0.322 nan 8.230 nan 0.000 0.431 563 V N 0.280 120.211 119.914 0.029 0.000 2.295 563 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 563 V C 2.832 178.942 176.094 0.027 0.000 1.049 563 V CA 1.647 63.961 62.300 0.023 0.000 1.024 563 V CB -1.490 30.344 31.823 0.018 0.000 0.648 563 V HN 0.625 nan 8.190 nan 0.000 0.447 564 A N -0.583 122.253 122.820 0.026 0.000 1.883 564 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 564 A C 2.575 180.178 177.584 0.032 0.000 1.186 564 A CA 2.484 54.535 52.037 0.024 0.000 0.624 564 A CB -0.920 18.090 19.000 0.017 0.000 0.822 564 A HN 0.484 nan 8.150 nan 0.000 0.444 565 S N -1.209 114.518 115.700 0.045 0.000 2.368 565 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 565 S C 2.033 176.673 174.600 0.065 0.000 1.030 565 S CA 2.125 60.361 58.200 0.059 0.000 0.999 565 S CB -0.569 62.682 63.200 0.085 0.000 0.844 565 S HN 0.642 nan 8.310 nan 0.000 0.459 566 T N 1.702 116.292 114.554 0.060 0.000 2.821 566 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 566 T C 1.734 176.456 174.700 0.036 0.000 1.046 566 T CA 1.409 63.536 62.100 0.045 0.000 1.139 566 T CB -0.598 68.282 68.868 0.020 0.000 0.871 566 T HN 0.481 nan 8.240 nan 0.000 0.454 567 N N 1.146 119.866 118.700 0.033 0.000 2.166 567 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 567 N C 1.925 177.453 175.510 0.029 0.000 1.019 567 N CA 0.997 54.065 53.050 0.029 0.000 0.856 567 N CB -0.148 38.354 38.487 0.025 0.000 0.993 567 N HN 0.267 nan 8.380 nan 0.000 0.426 568 R N -0.427 120.091 120.500 0.030 0.000 2.073 568 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 568 R C 2.050 178.368 176.300 0.030 0.000 1.134 568 R CA 1.600 57.717 56.100 0.029 0.000 0.952 568 R CB -0.747 29.572 30.300 0.031 0.000 0.850 568 R HN 0.334 nan 8.270 nan 0.000 0.433 569 G N 0.137 108.958 108.800 0.036 0.000 2.422 569 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 569 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 569 G C 1.568 176.485 174.900 0.028 0.000 1.146 569 G CA 0.882 46.002 45.100 0.033 0.000 0.769 569 G HN 0.419 nan 8.290 nan 0.000 0.547 570 C N -0.145 119.173 119.300 0.031 0.000 2.425 570 C HA 0.064 4.524 4.460 -0.000 0.000 0.277 570 C C 2.843 177.849 174.990 0.028 0.000 1.280 570 C CA 0.890 59.927 59.018 0.033 0.000 1.744 570 C CB -0.624 27.139 27.740 0.038 0.000 1.989 570 C HN 0.487 nan 8.230 nan 0.000 0.491 571 R N 1.843 122.358 120.500 0.025 0.000 2.073 571 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 571 R C 2.150 178.461 176.300 0.019 0.000 1.134 571 R CA 2.131 58.244 56.100 0.020 0.000 0.952 571 R CB -0.838 29.474 30.300 0.019 0.000 0.850 571 R HN 0.423 nan 8.270 nan 0.000 0.433 572 A N 0.383 123.215 122.820 0.020 0.000 1.902 572 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 572 A C 2.328 179.921 177.584 0.015 0.000 1.181 572 A CA 1.638 53.685 52.037 0.017 0.000 0.623 572 A CB -0.597 18.413 19.000 0.017 0.000 0.818 572 A HN 0.374 nan 8.150 nan 0.000 0.443 573 I N -0.440 120.140 120.570 0.016 0.000 2.179 573 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 573 I C 2.750 178.878 176.117 0.018 0.000 1.088 573 I CA 1.154 62.464 61.300 0.015 0.000 1.357 573 I CB -0.729 37.282 38.000 0.019 0.000 1.051 573 I HN 0.407 nan 8.210 nan 0.000 0.409 574 G N 1.116 109.928 108.800 0.020 0.000 2.440 574 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 574 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 574 G C 1.655 176.563 174.900 0.014 0.000 1.154 574 G CA 0.570 45.680 45.100 0.017 0.000 0.767 574 G HN 0.306 nan 8.290 nan 0.000 0.552 575 L N 0.825 122.057 121.223 0.014 0.000 2.465 575 L HA 0.114 4.454 4.340 -0.000 0.000 0.224 575 L C 2.632 179.511 176.870 0.014 0.000 1.145 575 L CA 0.481 55.329 54.840 0.013 0.000 0.834 575 L CB -0.013 42.054 42.059 0.013 0.000 0.944 575 L HN 0.330 nan 8.230 nan 0.000 0.451 576 G N -1.548 107.262 108.800 0.016 0.000 3.088 576 G HA2 0.324 4.284 3.960 -0.000 0.000 0.217 576 G HA3 0.324 4.284 3.960 -0.000 0.000 0.217 576 G C 1.172 176.085 174.900 0.021 0.000 1.159 576 G CA 0.473 45.584 45.100 0.019 0.000 0.760 576 G HN 0.416 nan 8.290 nan 0.000 0.550 577 G N -1.477 107.333 108.800 0.018 0.000 2.176 577 G HA2 0.325 4.285 3.960 -0.000 0.000 0.232 577 G HA3 0.325 4.285 3.960 -0.000 0.000 0.232 577 G C 0.862 175.775 174.900 0.021 0.000 0.986 577 G CA 0.487 45.598 45.100 0.018 0.000 0.643 577 G HN 2.110 nan 8.290 nan 0.000 0.522 578 G N -1.225 107.588 108.800 0.022 0.000 2.663 578 G HA2 0.507 4.467 3.960 -0.000 0.000 0.686 578 G HA3 0.507 4.467 3.960 -0.000 0.000 0.686 578 G C 0.004 174.923 174.900 0.030 0.000 1.288 578 G CA 0.787 45.904 45.100 0.028 0.000 0.836 578 G HN 2.211 nan 8.290 nan 0.000 0.584 579 A N -0.121 122.722 122.820 0.038 0.000 2.311 579 A HA 0.971 5.291 4.320 -0.000 0.000 0.334 579 A C 0.366 177.977 177.584 0.045 0.000 1.139 579 A CA 0.428 52.485 52.037 0.033 0.000 0.830 579 A CB 1.724 20.740 19.000 0.027 0.000 1.234 579 A HN 1.876 nan 8.150 nan 0.000 0.483 580 S N -0.048 115.675 115.700 0.040 0.000 2.536 580 S HA 0.804 5.274 4.470 -0.000 0.000 0.298 580 S C -0.328 174.294 174.600 0.037 0.000 1.083 580 S CA -0.250 57.978 58.200 0.045 0.000 0.995 580 S CB 1.594 64.824 63.200 0.049 0.000 1.058 580 S HN 1.419 nan 8.310 nan 0.000 0.488 581 S N 2.302 118.024 115.700 0.037 0.000 2.588 581 S HA 0.827 5.297 4.470 -0.000 0.000 0.275 581 S C -1.637 172.976 174.600 0.023 0.000 1.130 581 S CA -1.091 57.124 58.200 0.025 0.000 0.855 581 S CB 1.598 64.808 63.200 0.017 0.000 1.116 581 S HN 0.513 nan 8.310 nan 0.000 0.472 582 R N 0.618 121.127 120.500 0.014 0.000 2.626 582 R HA 0.526 4.865 4.340 -0.000 0.000 0.274 582 R C -1.650 174.651 176.300 0.001 0.000 1.031 582 R CA -0.701 55.405 56.100 0.010 0.000 0.898 582 R CB 1.879 32.184 30.300 0.009 0.000 1.222 582 R HN 0.622 nan 8.270 nan 0.000 0.455 583 V N 4.862 124.776 119.914 0.000 0.000 2.385 583 V HA 0.193 4.313 4.120 -0.000 0.000 0.269 583 V C 1.538 177.627 176.094 -0.008 0.000 1.043 583 V CA -0.089 62.208 62.300 -0.005 0.000 0.906 583 V CB 1.102 32.924 31.823 -0.002 0.000 0.995 583 V HN 0.617 nan 8.190 nan 0.000 0.467 584 L N 4.090 125.303 121.223 -0.017 0.000 2.307 584 L HA 0.500 4.840 4.340 -0.000 0.000 0.211 584 L C 0.902 177.757 176.870 -0.025 0.000 1.099 584 L CA 0.852 55.677 54.840 -0.025 0.000 0.816 584 L CB -0.051 41.984 42.059 -0.040 0.000 0.952 584 L HN 0.740 nan 8.230 nan 0.000 0.455 585 A N -0.687 122.119 122.820 -0.022 0.000 2.608 585 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 585 A C -1.951 175.628 177.584 -0.007 0.000 1.066 585 A CA -0.424 51.602 52.037 -0.018 0.000 0.676 585 A CB 1.679 20.660 19.000 -0.032 0.000 1.277 585 A HN -0.029 nan 8.150 nan 0.000 0.413 586 D N -0.320 120.082 120.400 0.002 0.000 2.613 586 D HA 0.551 5.191 4.640 -0.000 0.000 0.230 586 D C -0.554 175.761 176.300 0.025 0.000 1.365 586 D CA 0.840 54.848 54.000 0.014 0.000 0.976 586 D CB 1.407 42.217 40.800 0.017 0.000 1.415 586 D HN 1.433 nan 8.370 nan 0.000 0.589 587 G N 2.565 111.383 108.800 0.029 0.000 2.193 587 G HA2 0.396 4.356 3.960 -0.000 0.000 0.305 587 G HA3 0.396 4.356 3.960 -0.000 0.000 0.305 587 G C -0.902 174.031 174.900 0.055 0.000 1.427 587 G CA -0.880 44.247 45.100 0.046 0.000 1.137 587 G HN 0.352 nan 8.290 nan 0.000 0.576 588 M N 2.470 122.116 119.600 0.078 0.000 2.240 588 M HA 0.711 5.191 4.480 -0.000 0.000 0.333 588 M C 0.755 177.124 176.300 0.116 0.000 1.110 588 M CA -0.341 55.011 55.300 0.088 0.000 1.173 588 M CB 0.771 33.427 32.600 0.094 0.000 1.458 588 M HN 0.803 nan 8.290 nan 0.000 0.458 589 T N 1.609 116.232 114.554 0.114 0.000 2.901 589 T HA 0.890 5.240 4.350 -0.000 0.000 0.293 589 T C -1.056 173.745 174.700 0.167 0.000 1.084 589 T CA -1.019 61.171 62.100 0.150 0.000 1.008 589 T CB 1.761 70.691 68.868 0.103 0.000 1.170 589 T HN 0.745 nan 8.240 nan 0.000 0.509 590 R N -0.276 120.363 120.500 0.231 0.000 2.548 590 R HA 0.660 5.000 4.340 -0.000 0.000 0.280 590 R C -0.634 175.860 176.300 0.322 0.000 1.061 590 R CA -0.442 55.790 56.100 0.220 0.000 0.915 590 R CB 1.649 32.051 30.300 0.171 0.000 1.210 590 R HN 1.170 nan 8.270 nan 0.000 0.442 591 G N 4.539 113.522 108.800 0.306 0.000 4.160 591 G HA2 0.391 4.351 3.960 -0.000 0.000 0.341 591 G HA3 0.391 4.351 3.960 -0.000 0.000 0.341 591 G C -2.621 172.515 174.900 0.392 0.000 1.510 591 G CA -1.368 43.992 45.100 0.433 0.000 1.011 591 G HN 0.401 nan 8.290 nan 0.000 0.491 592 P HA 0.174 nan 4.420 nan 0.000 0.270 592 P C -0.088 177.299 177.300 0.144 0.000 1.223 592 P CA -0.308 62.916 63.100 0.206 0.000 0.785 592 P CB 1.615 33.426 31.700 0.184 0.000 0.923 593 V N 3.524 123.451 119.914 0.021 0.000 2.409 593 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 593 V C -0.371 175.620 176.094 -0.172 0.000 1.020 593 V CA -0.673 61.486 62.300 -0.234 0.000 0.848 593 V CB 1.298 32.956 31.823 -0.276 0.000 0.990 593 V HN 0.420 nan 8.190 nan 0.000 0.430 594 V N 4.518 124.302 119.914 -0.216 0.000 3.103 594 V HA 0.819 4.939 4.120 -0.000 0.000 0.318 594 V C -0.554 175.446 176.094 -0.158 0.000 1.114 594 V CA -1.069 61.161 62.300 -0.117 0.000 1.020 594 V CB 2.028 33.825 31.823 -0.044 0.000 1.085 594 V HN 1.035 nan 8.190 nan 0.000 0.446 595 R N 1.607 122.054 120.500 -0.089 0.000 2.564 595 R HA 0.688 5.028 4.340 -0.000 0.000 0.284 595 R C -1.759 174.512 176.300 -0.048 0.000 1.031 595 R CA -0.661 55.391 56.100 -0.081 0.000 0.904 595 R CB 1.763 32.027 30.300 -0.060 0.000 1.199 595 R HN 0.807 nan 8.270 nan 0.000 0.443 596 L N 4.817 126.006 121.223 -0.057 0.000 2.332 596 L HA 0.515 4.855 4.340 -0.000 0.000 0.269 596 L C -1.636 175.222 176.870 -0.020 0.000 1.016 596 L CA -2.510 52.307 54.840 -0.039 0.000 0.809 596 L CB 1.476 43.495 42.059 -0.067 0.000 1.280 596 L HN 0.558 nan 8.230 nan 0.000 0.447 597 P HA -0.034 nan 4.420 nan 0.000 0.217 597 P C -0.243 177.055 177.300 -0.003 0.000 1.150 597 P CA 1.448 64.548 63.100 -0.000 0.000 0.832 597 P CB 0.370 32.074 31.700 0.007 0.000 0.787 598 R N -2.750 117.746 120.500 -0.006 0.000 2.836 598 R HA 0.619 4.959 4.340 -0.000 0.000 0.269 598 R C 0.854 177.147 176.300 -0.013 0.000 1.010 598 R CA -0.504 55.593 56.100 -0.005 0.000 0.930 598 R CB 0.924 31.226 30.300 0.002 0.000 1.218 598 R HN -0.228 nan 8.270 nan 0.000 0.473 599 A N 0.353 123.168 122.820 -0.009 0.000 1.933 599 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 599 A C 1.754 179.330 177.584 -0.013 0.000 1.175 599 A CA 1.463 53.493 52.037 -0.012 0.000 0.628 599 A CB -0.752 18.246 19.000 -0.003 0.000 0.814 599 A HN 0.790 nan 8.150 nan 0.000 0.444 600 C N -0.095 119.203 119.300 -0.003 0.000 2.413 600 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 600 C C 2.256 177.248 174.990 0.002 0.000 1.265 600 C CA 1.073 60.093 59.018 0.004 0.000 1.752 600 C CB -1.104 26.643 27.740 0.012 0.000 1.998 600 C HN 0.606 nan 8.230 nan 0.000 0.489 601 D N 1.026 121.423 120.400 -0.005 0.000 2.149 601 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 601 D C 2.306 178.555 176.300 -0.085 0.000 0.972 601 D CA 1.745 55.738 54.000 -0.012 0.000 0.835 601 D CB -0.578 40.222 40.800 0.000 0.000 0.966 601 D HN 0.626 nan 8.370 nan 0.000 0.476 602 S N 1.064 116.713 115.700 -0.085 0.000 2.383 602 S HA -0.041 4.428 4.470 -0.000 0.000 0.227 602 S C 2.210 176.747 174.600 -0.105 0.000 1.026 602 S CA 1.018 59.145 58.200 -0.123 0.000 0.981 602 S CB -0.296 62.849 63.200 -0.092 0.000 0.818 602 S HN 0.232 nan 8.310 nan 0.000 0.472 603 A N 1.856 124.643 122.820 -0.056 0.000 1.933 603 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 603 A C 2.201 179.773 177.584 -0.020 0.000 1.175 603 A CA 1.612 53.631 52.037 -0.031 0.000 0.628 603 A CB -0.848 18.147 19.000 -0.008 0.000 0.814 603 A HN 0.692 nan 8.150 nan 0.000 0.444 604 E N -0.162 120.029 120.200 -0.016 0.000 2.051 604 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 604 E C 1.881 178.477 176.600 -0.007 0.000 0.991 604 E CA 1.514 57.940 56.400 0.044 0.000 0.799 604 E CB -0.134 29.632 29.700 0.111 0.000 0.748 604 E HN 0.331 nan 8.360 nan 0.000 0.449 605 V N 1.601 121.339 119.914 -0.293 0.000 2.343 605 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 605 V C 2.535 178.586 176.094 -0.072 0.000 1.051 605 V CA 2.217 64.222 62.300 -0.492 0.000 1.036 605 V CB -0.609 30.792 31.823 -0.704 0.000 0.654 605 V HN 0.298 nan 8.190 nan 0.000 0.451 606 K N 0.494 120.856 120.400 -0.064 0.000 2.026 606 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 606 K C 2.192 178.811 176.600 0.031 0.000 1.048 606 K CA 1.680 57.956 56.287 -0.018 0.000 0.929 606 K CB -0.368 32.107 32.500 -0.041 0.000 0.713 606 K HN 0.410 nan 8.250 nan 0.000 0.439 607 A N 0.468 123.323 122.820 0.057 0.000 1.902 607 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 607 A C 1.938 179.599 177.584 0.129 0.000 1.181 607 A CA 1.448 53.529 52.037 0.073 0.000 0.623 607 A CB -1.087 17.963 19.000 0.083 0.000 0.818 607 A HN 0.733 nan 8.150 nan 0.000 0.443 608 W N 0.589 121.900 121.300 0.019 0.000 2.355 608 W HA -0.136 4.524 4.660 -0.000 0.000 0.309 608 W C 1.698 178.228 176.519 0.020 0.000 1.206 608 W CA 1.872 59.251 57.345 0.057 0.000 1.284 608 W CB -0.270 29.296 29.460 0.177 0.000 1.145 608 W HN 0.245 nan 8.180 nan 0.000 0.502 609 L N 0.373 121.737 121.223 0.235 0.000 2.265 609 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 609 L C 1.914 178.745 176.870 -0.065 0.000 1.117 609 L CA 1.360 56.235 54.840 0.060 0.000 0.782 609 L CB -0.643 41.481 42.059 0.109 0.000 0.914 609 L HN 0.047 nan 8.230 nan 0.000 0.441 610 E N -0.718 119.442 120.200 -0.068 0.000 2.478 610 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 610 E C 0.784 177.306 176.600 -0.129 0.000 1.045 610 E CA 0.232 56.571 56.400 -0.101 0.000 0.868 610 E CB 0.191 29.844 29.700 -0.079 0.000 0.885 610 E HN 0.460 nan 8.360 nan 0.000 0.505 611 T N -1.348 113.100 114.554 -0.176 0.000 2.904 611 T HA 0.097 4.447 4.350 -0.000 0.000 0.290 611 T C 1.456 176.045 174.700 -0.185 0.000 1.018 611 T CA -0.187 61.801 62.100 -0.187 0.000 1.075 611 T CB 1.758 70.480 68.868 -0.244 0.000 0.986 611 T HN -0.008 nan 8.240 nan 0.000 0.523 612 S N 1.378 117.003 115.700 -0.125 0.000 2.402 612 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 612 S C 1.507 176.055 174.600 -0.087 0.000 1.021 612 S CA 0.935 59.097 58.200 -0.063 0.000 0.974 612 S CB -0.623 62.550 63.200 -0.044 0.000 0.800 612 S HN 0.835 nan 8.310 nan 0.000 0.484 613 E N 2.060 122.157 120.200 -0.171 0.000 2.028 613 E HA 0.086 4.436 4.350 -0.000 0.000 0.191 613 E C 2.389 178.746 176.600 -0.405 0.000 0.988 613 E CA 1.079 57.355 56.400 -0.208 0.000 0.799 613 E CB -1.129 28.463 29.700 -0.179 0.000 0.755 613 E HN 0.600 nan 8.360 nan 0.000 0.447 614 G N 0.587 108.936 108.800 -0.753 0.000 2.446 614 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 614 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 614 G C 1.456 175.908 174.900 -0.746 0.000 1.168 614 G CA 0.837 45.051 45.100 -1.477 0.000 0.771 614 G HN 0.256 nan 8.290 nan 0.000 0.551 615 F N 2.483 122.143 119.950 -0.483 0.000 2.134 615 F HA 0.089 4.616 4.527 0.000 0.000 0.299 615 F C 2.791 178.491 175.800 -0.168 0.000 1.097 615 F CA 1.220 59.062 58.000 -0.262 0.000 1.264 615 F CB -0.392 38.485 39.000 -0.205 0.000 1.001 615 F HN 0.235 nan 8.300 nan 0.000 0.479 616 A N 0.277 122.969 122.820 -0.213 0.000 1.883 616 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 616 A C 2.392 179.857 177.584 -0.198 0.000 1.186 616 A CA 2.571 54.483 52.037 -0.209 0.000 0.624 616 A CB -1.725 17.229 19.000 -0.077 0.000 0.822 616 A HN 0.548 nan 8.150 nan 0.000 0.444 617 V N 0.019 119.840 119.914 -0.156 0.000 2.358 617 V HA -0.199 3.920 4.120 -0.000 0.000 0.246 617 V C 2.329 178.428 176.094 0.008 0.000 1.047 617 V CA 2.123 64.407 62.300 -0.026 0.000 1.035 617 V CB -0.908 30.957 31.823 0.070 0.000 0.658 617 V HN 0.669 nan 8.190 nan 0.000 0.452 618 I N 0.296 120.844 120.570 -0.037 0.000 2.353 618 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 618 I C 2.419 178.543 176.117 0.012 0.000 1.119 618 I CA 2.375 63.722 61.300 0.079 0.000 1.417 618 I CB -0.841 37.267 38.000 0.180 0.000 1.078 618 I HN 0.359 nan 8.210 nan 0.000 0.421 619 K N 1.019 121.249 120.400 -0.282 0.000 2.097 619 K HA -0.256 4.064 4.320 -0.000 0.000 0.206 619 K C 2.246 178.820 176.600 -0.044 0.000 1.049 619 K CA 1.787 57.897 56.287 -0.296 0.000 0.933 619 K CB -0.269 31.830 32.500 -0.668 0.000 0.717 619 K HN 0.626 nan 8.250 nan 0.000 0.442 620 E N -0.062 120.112 120.200 -0.044 0.000 2.051 620 E HA -0.208 4.141 4.350 -0.000 0.000 0.192 620 E C 1.806 178.451 176.600 0.074 0.000 0.991 620 E CA 1.144 57.556 56.400 0.020 0.000 0.799 620 E CB -0.154 29.558 29.700 0.020 0.000 0.748 620 E HN 0.443 nan 8.360 nan 0.000 0.449 621 A N 0.609 123.490 122.820 0.103 0.000 1.902 621 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 621 A C 2.028 179.693 177.584 0.136 0.000 1.181 621 A CA 1.292 53.400 52.037 0.118 0.000 0.623 621 A CB -0.938 18.151 19.000 0.147 0.000 0.818 621 A HN 0.507 nan 8.150 nan 0.000 0.443 622 F N 1.153 121.123 119.950 0.033 0.000 2.075 622 F HA -0.224 4.303 4.527 0.000 0.000 0.297 622 F C 1.777 177.589 175.800 0.020 0.000 1.113 622 F CA 2.204 60.224 58.000 0.033 0.000 1.218 622 F CB -0.094 38.958 39.000 0.087 0.000 0.984 622 F HN 0.242 nan 8.300 nan 0.000 0.472 623 D N -0.186 120.428 120.400 0.356 0.000 2.218 623 D HA -0.160 4.480 4.640 -0.000 0.000 0.204 623 D C 2.480 178.827 176.300 0.078 0.000 0.976 623 D CA 1.417 55.549 54.000 0.220 0.000 0.853 623 D CB -0.691 40.201 40.800 0.154 0.000 0.939 623 D HN 0.390 nan 8.370 nan 0.000 0.481 624 S N -0.663 115.068 115.700 0.051 0.000 2.465 624 S HA -0.176 4.294 4.470 -0.000 0.000 0.241 624 S C 1.945 176.536 174.600 -0.015 0.000 1.000 624 S CA 1.377 59.586 58.200 0.015 0.000 0.964 624 S CB -0.629 62.582 63.200 0.019 0.000 0.763 624 S HN 0.100 nan 8.310 nan 0.000 0.512 625 T N 0.903 115.428 114.554 -0.048 0.000 2.915 625 T HA 0.162 4.512 4.350 -0.000 0.000 0.269 625 T C 0.644 175.315 174.700 -0.049 0.000 1.071 625 T CA 1.194 63.242 62.100 -0.086 0.000 1.132 625 T CB -0.266 68.478 68.868 -0.208 0.000 0.878 625 T HN 0.551 nan 8.240 nan 0.000 0.479 626 S N -1.644 114.045 115.700 -0.019 0.000 2.565 626 S HA 0.365 4.835 4.470 -0.000 0.000 0.274 626 S C 0.334 174.925 174.600 -0.015 0.000 1.144 626 S CA -0.848 57.358 58.200 0.011 0.000 0.849 626 S CB 0.963 64.201 63.200 0.065 0.000 1.103 626 S HN 0.183 nan 8.310 nan 0.000 0.455 627 R N 1.154 121.593 120.500 -0.102 0.000 2.096 627 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 627 R C 0.875 176.947 176.300 -0.381 0.000 1.127 627 R CA 1.850 57.764 56.100 -0.309 0.000 0.968 627 R CB -0.328 29.647 30.300 -0.543 0.000 0.861 627 R HN 0.653 nan 8.270 nan 0.000 0.440 628 F N 0.358 120.330 119.950 0.037 0.000 2.776 628 F HA 0.259 4.786 4.527 -0.000 0.000 0.300 628 F C 0.978 176.826 175.800 0.080 0.000 1.116 628 F CA -0.394 57.635 58.000 0.049 0.000 1.375 628 F CB 0.345 39.367 39.000 0.036 0.000 1.109 628 F HN -0.091 nan 8.300 nan 0.000 0.585 629 A N 1.585 124.537 122.820 0.221 0.000 2.316 629 A HA 0.565 4.885 4.320 -0.000 0.000 0.311 629 A C 0.013 177.769 177.584 0.287 0.000 1.339 629 A CA -0.435 51.763 52.037 0.269 0.000 0.960 629 A CB -0.011 19.108 19.000 0.197 0.000 1.152 629 A HN 0.046 nan 8.150 nan 0.000 0.547 630 R N 2.813 123.467 120.500 0.258 0.000 2.412 630 R HA 0.234 4.574 4.340 -0.000 0.000 0.304 630 R C -1.092 175.263 176.300 0.092 0.000 1.066 630 R CA -0.888 55.313 56.100 0.169 0.000 0.923 630 R CB 1.121 31.489 30.300 0.113 0.000 1.156 630 R HN 0.678 nan 8.270 nan 0.000 0.513 631 L N 3.163 124.366 121.223 -0.033 0.000 2.584 631 L HA -0.032 4.308 4.340 -0.000 0.000 0.272 631 L C 1.132 178.009 176.870 0.011 0.000 1.195 631 L CA 1.130 55.810 54.840 -0.268 0.000 0.920 631 L CB 0.566 42.303 42.059 -0.536 0.000 1.173 631 L HN 0.556 nan 8.230 nan 0.000 0.489 632 Q N 4.440 124.263 119.800 0.037 0.000 2.287 632 Q HA 0.132 4.472 4.340 -0.000 0.000 0.201 632 Q C -0.274 175.783 176.000 0.095 0.000 0.946 632 Q CA 0.864 56.721 55.803 0.088 0.000 0.868 632 Q CB 0.382 29.140 28.738 0.034 0.000 0.967 632 Q HN 0.735 nan 8.270 nan 0.000 0.516 633 K N -0.855 119.579 120.400 0.056 0.000 2.578 633 K HA 0.541 4.861 4.320 -0.000 0.000 0.287 633 K C -1.715 174.883 176.600 -0.004 0.000 1.010 633 K CA -0.855 55.400 56.287 -0.053 0.000 0.889 633 K CB 1.261 33.697 32.500 -0.107 0.000 1.514 633 K HN -0.162 nan 8.250 nan 0.000 0.424 634 L N 1.146 122.323 121.223 -0.076 0.000 2.386 634 L HA 0.435 4.775 4.340 -0.000 0.000 0.271 634 L C -1.516 175.336 176.870 -0.030 0.000 0.993 634 L CA -0.300 54.490 54.840 -0.084 0.000 0.819 634 L CB 1.612 43.605 42.059 -0.109 0.000 1.294 634 L HN 0.876 nan 8.230 nan 0.000 0.414 635 H N 0.894 119.942 119.070 -0.038 0.000 2.658 635 H HA 0.694 5.250 4.556 -0.000 0.000 0.337 635 H C -0.762 174.647 175.328 0.134 0.000 1.009 635 H CA -0.295 55.774 56.048 0.035 0.000 1.231 635 H CB 1.311 31.100 29.762 0.045 0.000 1.508 635 H HN 0.684 nan 8.280 nan 0.000 0.517 636 T N 1.694 116.122 114.554 -0.210 0.000 2.918 636 T HA 0.737 5.087 4.350 -0.000 0.000 0.286 636 T C -0.587 174.083 174.700 -0.050 0.000 1.026 636 T CA -0.946 61.128 62.100 -0.043 0.000 1.031 636 T CB 1.706 70.525 68.868 -0.083 0.000 1.046 636 T HN 0.448 nan 8.240 nan 0.000 0.479 637 S N 1.524 117.220 115.700 -0.008 0.000 2.603 637 S HA 0.499 4.969 4.470 -0.000 0.000 0.274 637 S C -0.782 173.832 174.600 0.023 0.000 1.168 637 S CA -0.844 57.350 58.200 -0.009 0.000 0.963 637 S CB 0.828 64.004 63.200 -0.039 0.000 1.078 637 S HN 0.695 nan 8.310 nan 0.000 0.477 638 I N 2.379 122.964 120.570 0.026 0.000 2.499 638 I HA 0.633 4.803 4.170 -0.000 0.000 0.296 638 I C 0.378 176.540 176.117 0.075 0.000 0.992 638 I CA -0.547 60.776 61.300 0.040 0.000 1.297 638 I CB 1.395 39.398 38.000 0.005 0.000 1.410 638 I HN 0.785 nan 8.210 nan 0.000 0.507 639 A N 4.325 127.208 122.820 0.105 0.000 2.984 639 A HA 0.616 4.936 4.320 -0.000 0.000 0.320 639 A C 0.466 178.090 177.584 0.066 0.000 1.142 639 A CA 0.147 52.248 52.037 0.106 0.000 0.772 639 A CB 0.367 19.493 19.000 0.209 0.000 1.195 639 A HN 1.150 nan 8.150 nan 0.000 0.459 640 G N 2.774 111.594 108.800 0.034 0.000 2.565 640 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.295 640 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.295 640 G C 1.136 176.036 174.900 0.000 0.000 1.165 640 G CA 0.945 46.055 45.100 0.017 0.000 0.977 640 G HN 1.606 nan 8.290 nan 0.000 0.546 641 R N 1.381 121.877 120.500 -0.007 0.000 2.310 641 R HA 0.192 4.532 4.340 -0.000 0.000 0.202 641 R C 0.287 176.553 176.300 -0.057 0.000 0.933 641 R CA 0.517 56.600 56.100 -0.028 0.000 1.054 641 R CB -0.201 30.087 30.300 -0.021 0.000 0.985 641 R HN 0.385 nan 8.270 nan 0.000 0.489 642 N N 1.347 120.014 118.700 -0.056 0.000 2.513 642 N HA 0.243 4.983 4.740 -0.000 0.000 0.274 642 N C -1.241 174.154 175.510 -0.192 0.000 1.189 642 N CA -0.453 52.505 53.050 -0.153 0.000 0.975 642 N CB 1.436 39.841 38.487 -0.137 0.000 1.157 642 N HN 0.104 nan 8.380 nan 0.000 0.465 643 L N 2.030 123.047 121.223 -0.343 0.000 2.438 643 L HA 0.449 4.789 4.340 -0.000 0.000 0.270 643 L C -1.897 174.707 176.870 -0.444 0.000 0.972 643 L CA -0.648 54.036 54.840 -0.260 0.000 0.831 643 L CB 0.909 42.867 42.059 -0.167 0.000 1.273 643 L HN 0.428 nan 8.230 nan 0.000 0.405 644 Y N 5.744 125.938 120.300 -0.177 0.000 2.331 644 Y HA 0.638 5.188 4.550 0.000 0.000 0.338 644 Y C -0.174 175.669 175.900 -0.095 0.000 0.976 644 Y CA -0.506 57.454 58.100 -0.233 0.000 1.137 644 Y CB 1.420 39.444 38.460 -0.728 0.000 1.172 644 Y HN 0.399 nan 8.280 nan 0.000 0.478 645 I N 4.229 124.924 120.570 0.208 0.000 2.382 645 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 645 I C -0.200 176.149 176.117 0.387 0.000 1.002 645 I CA -0.780 60.648 61.300 0.212 0.000 1.135 645 I CB 1.484 39.557 38.000 0.122 0.000 1.288 645 I HN 0.463 nan 8.210 nan 0.000 0.448 646 R N 6.254 126.986 120.500 0.387 0.000 2.205 646 R HA 0.406 4.746 4.340 -0.000 0.000 0.342 646 R C -1.265 175.152 176.300 0.196 0.000 1.058 646 R CA -0.501 55.818 56.100 0.364 0.000 0.904 646 R CB 0.428 30.884 30.300 0.260 0.000 1.089 646 R HN 0.331 nan 8.270 nan 0.000 0.471 647 F N 2.536 122.587 119.950 0.168 0.000 2.427 647 F HA 0.194 4.721 4.527 0.000 0.000 0.352 647 F C 0.616 176.443 175.800 0.046 0.000 1.100 647 F CA 0.067 58.120 58.000 0.089 0.000 1.191 647 F CB 1.375 40.468 39.000 0.154 0.000 1.128 647 F HN 0.405 nan 8.300 nan 0.000 0.533 648 Q N 2.722 122.589 119.800 0.111 0.000 2.310 648 Q HA 0.580 4.920 4.340 -0.000 0.000 0.270 648 Q C -1.178 174.832 176.000 0.017 0.000 1.025 648 Q CA -0.456 55.392 55.803 0.076 0.000 0.772 648 Q CB 1.826 30.590 28.738 0.043 0.000 1.253 648 Q HN 0.702 nan 8.270 nan 0.000 0.450 649 S N 3.039 118.781 115.700 0.070 0.000 2.556 649 S HA 0.612 5.082 4.470 -0.000 0.000 0.271 649 S C -1.080 173.595 174.600 0.126 0.000 1.135 649 S CA -0.862 57.384 58.200 0.077 0.000 0.858 649 S CB 1.217 64.482 63.200 0.109 0.000 1.114 649 S HN 0.647 nan 8.310 nan 0.000 0.468 650 R N 1.382 121.955 120.500 0.121 0.000 2.707 650 R HA 0.421 4.761 4.340 -0.000 0.000 0.270 650 R C 0.485 176.881 176.300 0.159 0.000 1.083 650 R CA 0.256 56.427 56.100 0.119 0.000 1.182 650 R CB 0.563 30.931 30.300 0.113 0.000 1.084 650 R HN 0.899 nan 8.270 nan 0.000 0.528 651 S N -1.749 114.030 115.700 0.132 0.000 3.022 651 S HA 0.248 4.718 4.470 -0.000 0.000 0.247 651 S C 0.730 175.367 174.600 0.062 0.000 0.845 651 S CA -0.001 58.278 58.200 0.132 0.000 1.104 651 S CB 0.155 63.411 63.200 0.094 0.000 1.228 651 S HN 1.028 nan 8.310 nan 0.000 0.532 652 G N 3.000 111.857 108.800 0.095 0.000 2.583 652 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.292 652 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.292 652 G C 0.067 174.909 174.900 -0.096 0.000 1.203 652 G CA 0.735 45.810 45.100 -0.041 0.000 0.987 652 G HN 0.458 nan 8.290 nan 0.000 0.554 653 D N 1.863 122.145 120.400 -0.198 0.000 2.349 653 D HA 0.406 5.046 4.640 -0.000 0.000 0.214 653 D C 1.380 177.605 176.300 -0.125 0.000 1.063 653 D CA 0.785 54.703 54.000 -0.136 0.000 0.847 653 D CB 0.241 40.958 40.800 -0.139 0.000 0.933 653 D HN 0.750 nan 8.370 nan 0.000 0.513 654 A N 1.133 123.871 122.820 -0.137 0.000 2.351 654 A HA 0.164 4.484 4.320 -0.000 0.000 0.257 654 A C 1.351 178.901 177.584 -0.056 0.000 1.087 654 A CA -0.356 51.622 52.037 -0.098 0.000 0.798 654 A CB 0.930 19.874 19.000 -0.093 0.000 1.033 654 A HN 0.015 nan 8.150 nan 0.000 0.488 655 M N 1.452 121.021 119.600 -0.052 0.000 2.149 655 M HA -0.061 4.419 4.480 -0.000 0.000 0.261 655 M C 1.419 177.720 176.300 0.002 0.000 1.064 655 M CA 2.617 57.898 55.300 -0.032 0.000 1.102 655 M CB -0.713 31.862 32.600 -0.041 0.000 1.369 655 M HN 1.638 nan 8.290 nan 0.000 0.408 656 G N -0.730 108.072 108.800 0.004 0.000 2.195 656 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 656 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 656 G C 0.907 175.833 174.900 0.044 0.000 0.984 656 G CA 0.593 45.713 45.100 0.033 0.000 0.633 656 G HN 0.393 nan 8.290 nan 0.000 0.525 657 M N 0.173 119.793 119.600 0.034 0.000 2.073 657 M HA -0.126 4.354 4.480 -0.000 0.000 0.258 657 M C 2.290 178.602 176.300 0.021 0.000 1.070 657 M CA 2.498 57.820 55.300 0.037 0.000 1.103 657 M CB -0.987 31.631 32.600 0.031 0.000 1.321 657 M HN 0.399 nan 8.290 nan 0.000 0.405 658 N N 0.068 118.772 118.700 0.006 0.000 2.084 658 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 658 N C 1.656 177.150 175.510 -0.026 0.000 1.030 658 N CA 1.433 54.477 53.050 -0.010 0.000 0.849 658 N CB -0.268 38.213 38.487 -0.011 0.000 1.012 658 N HN 0.304 nan 8.380 nan 0.000 0.423 659 M N 0.039 119.631 119.600 -0.013 0.000 2.086 659 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 659 M C 1.095 177.351 176.300 -0.074 0.000 1.067 659 M CA 1.465 56.748 55.300 -0.027 0.000 1.116 659 M CB -0.044 32.572 32.600 0.026 0.000 1.348 659 M HN 0.065 nan 8.290 nan 0.000 0.407 660 I N 0.415 120.992 120.570 0.012 0.000 2.286 660 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 660 I C 2.476 178.558 176.117 -0.058 0.000 1.115 660 I CA 1.247 62.592 61.300 0.075 0.000 1.392 660 I CB -1.733 36.386 38.000 0.198 0.000 1.065 660 I HN 0.320 nan 8.210 nan 0.000 0.418 661 S N 0.619 116.285 115.700 -0.056 0.000 2.368 661 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 661 S C 1.916 176.418 174.600 -0.163 0.000 1.029 661 S CA 1.118 59.268 58.200 -0.083 0.000 0.988 661 S CB -0.085 63.091 63.200 -0.040 0.000 0.838 661 S HN 0.469 nan 8.310 nan 0.000 0.462 662 K N 0.828 121.119 120.400 -0.181 0.000 2.026 662 K HA -0.031 4.289 4.320 -0.000 0.000 0.208 662 K C 2.433 178.829 176.600 -0.340 0.000 1.048 662 K CA 1.184 57.350 56.287 -0.203 0.000 0.929 662 K CB -0.610 31.794 32.500 -0.161 0.000 0.713 662 K HN 0.401 nan 8.250 nan 0.000 0.439 663 G N 0.852 109.292 108.800 -0.600 0.000 2.440 663 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 663 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 663 G C 1.483 175.896 174.900 -0.812 0.000 1.154 663 G CA 1.390 45.810 45.100 -1.133 0.000 0.767 663 G HN 0.223 nan 8.290 nan 0.000 0.552 664 T N 0.336 114.539 114.554 -0.585 0.000 2.746 664 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 664 T C 2.113 176.608 174.700 -0.342 0.000 1.039 664 T CA 1.554 63.322 62.100 -0.554 0.000 1.142 664 T CB -0.137 68.430 68.868 -0.501 0.000 0.866 664 T HN 0.500 nan 8.240 nan 0.000 0.444 665 E N 0.735 120.794 120.200 -0.235 0.000 2.058 665 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 665 E C 2.211 178.755 176.600 -0.092 0.000 0.997 665 E CA 1.283 57.603 56.400 -0.134 0.000 0.801 665 E CB -0.019 29.613 29.700 -0.114 0.000 0.746 665 E HN 0.181 nan 8.360 nan 0.000 0.450 666 K N 0.098 120.430 120.400 -0.115 0.000 2.057 666 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 666 K C 1.774 178.392 176.600 0.030 0.000 1.049 666 K CA 1.383 57.640 56.287 -0.050 0.000 0.931 666 K CB -0.377 32.074 32.500 -0.080 0.000 0.714 666 K HN 0.202 nan 8.250 nan 0.000 0.440 667 A N 0.388 123.236 122.820 0.046 0.000 1.902 667 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 667 A C 2.134 179.860 177.584 0.237 0.000 1.181 667 A CA 1.417 53.581 52.037 0.213 0.000 0.623 667 A CB -0.629 18.613 19.000 0.402 0.000 0.818 667 A HN 0.294 nan 8.150 nan 0.000 0.443 668 L N 0.444 121.753 121.223 0.144 0.000 2.093 668 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 668 L C 3.005 179.978 176.870 0.170 0.000 1.085 668 L CA 1.543 56.488 54.840 0.175 0.000 0.755 668 L CB -0.525 41.588 42.059 0.090 0.000 0.904 668 L HN 0.604 nan 8.230 nan 0.000 0.435 669 S N -0.344 115.422 115.700 0.110 0.000 2.402 669 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 669 S C 1.966 176.673 174.600 0.179 0.000 1.021 669 S CA 1.133 59.397 58.200 0.107 0.000 0.974 669 S CB -0.198 63.027 63.200 0.041 0.000 0.800 669 S HN 0.201 nan 8.310 nan 0.000 0.484 670 K N 1.242 121.759 120.400 0.194 0.000 2.062 670 K HA 0.174 4.494 4.320 -0.000 0.000 0.205 670 K C 1.967 178.762 176.600 0.324 0.000 1.051 670 K CA 0.922 57.357 56.287 0.247 0.000 0.941 670 K CB -0.854 31.797 32.500 0.253 0.000 0.719 670 K HN 0.348 nan 8.250 nan 0.000 0.440 671 L N 0.775 122.183 121.223 0.308 0.000 2.083 671 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 671 L C 2.215 179.256 176.870 0.285 0.000 1.083 671 L CA 1.930 56.943 54.840 0.288 0.000 0.752 671 L CB -0.759 41.468 42.059 0.280 0.000 0.899 671 L HN 0.464 nan 8.230 nan 0.000 0.433 672 H N -0.331 118.839 119.070 0.166 0.000 2.456 672 H HA -0.137 4.419 4.556 -0.000 0.000 0.296 672 H C 1.833 177.201 175.328 0.066 0.000 1.079 672 H CA 1.676 57.794 56.048 0.117 0.000 1.322 672 H CB 0.402 30.209 29.762 0.075 0.000 1.388 672 H HN 0.566 nan 8.280 nan 0.000 0.538 673 E N -0.450 119.817 120.200 0.111 0.000 2.106 673 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 673 E C 1.642 178.078 176.600 -0.273 0.000 0.984 673 E CA 0.971 57.334 56.400 -0.061 0.000 0.806 673 E CB 0.000 29.674 29.700 -0.043 0.000 0.750 673 E HN 0.548 nan 8.360 nan 0.000 0.458 674 Y N -1.109 119.024 120.300 -0.278 0.000 2.420 674 Y HA 0.015 4.565 4.550 0.000 0.000 0.292 674 Y C 0.556 175.894 175.900 -0.937 0.000 1.119 674 Y CA 0.540 58.266 58.100 -0.623 0.000 1.229 674 Y CB 0.433 38.364 38.460 -0.883 0.000 1.026 674 Y HN -0.092 nan 8.280 nan 0.000 0.554 675 F N 0.874 120.697 119.950 -0.211 0.000 2.550 675 F HA 0.349 4.876 4.527 0.000 0.000 0.348 675 F C -1.830 173.732 175.800 -0.397 0.000 1.219 675 F CA -2.648 55.203 58.000 -0.249 0.000 1.203 675 F CB 0.914 39.794 39.000 -0.201 0.000 1.436 675 F HN -0.158 nan 8.300 nan 0.000 0.541 676 P HA -0.204 nan 4.420 nan 0.000 0.219 676 P C 0.860 177.982 177.300 -0.297 0.000 1.146 676 P CA 1.506 64.290 63.100 -0.527 0.000 0.808 676 P CB 0.386 31.927 31.700 -0.263 0.000 0.779 677 E N -0.894 119.240 120.200 -0.109 0.000 2.511 677 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 677 E C 1.072 177.689 176.600 0.028 0.000 1.066 677 E CA -0.117 56.276 56.400 -0.012 0.000 0.871 677 E CB -0.210 29.498 29.700 0.013 0.000 0.863 677 E HN 0.341 nan 8.360 nan 0.000 0.520 678 M N 1.775 121.390 119.600 0.025 0.000 2.200 678 M HA 0.007 4.487 4.480 -0.000 0.000 0.355 678 M C -0.229 176.182 176.300 0.186 0.000 1.283 678 M CA 0.214 55.569 55.300 0.092 0.000 1.124 678 M CB 0.734 33.398 32.600 0.107 0.000 1.625 678 M HN -0.193 nan 8.290 nan 0.000 0.463 679 Q N 5.532 125.389 119.800 0.094 0.000 2.290 679 Q HA 0.404 4.744 4.340 -0.000 0.000 0.259 679 Q C -1.405 174.619 176.000 0.040 0.000 0.941 679 Q CA -0.519 55.328 55.803 0.074 0.000 0.912 679 Q CB 1.071 29.830 28.738 0.034 0.000 1.244 679 Q HN 0.812 nan 8.270 nan 0.000 0.441 680 I N 5.903 126.491 120.570 0.029 0.000 2.294 680 I HA -0.040 4.130 4.170 -0.000 0.000 0.295 680 I C 0.866 176.979 176.117 -0.007 0.000 1.098 680 I CA -0.198 61.108 61.300 0.009 0.000 1.277 680 I CB 0.736 38.733 38.000 -0.004 0.000 1.434 680 I HN 0.723 nan 8.210 nan 0.000 0.498 681 L N 7.083 128.296 121.223 -0.016 0.000 2.072 681 L HA 0.250 4.589 4.340 -0.000 0.000 0.205 681 L C 0.807 177.677 176.870 0.000 0.000 1.079 681 L CA 1.253 56.085 54.840 -0.013 0.000 0.752 681 L CB -0.017 42.026 42.059 -0.027 0.000 0.906 681 L HN 0.681 nan 8.230 nan 0.000 0.436 682 A N -2.525 120.300 122.820 0.007 0.000 2.577 682 A HA 0.416 4.736 4.320 -0.000 0.000 0.297 682 A C 0.252 177.859 177.584 0.037 0.000 1.060 682 A CA 0.104 52.156 52.037 0.025 0.000 0.697 682 A CB 0.532 19.558 19.000 0.042 0.000 1.281 682 A HN -0.132 nan 8.150 nan 0.000 0.402 683 V N 1.331 121.262 119.914 0.029 0.000 2.759 683 V HA 0.041 4.161 4.120 -0.000 0.000 0.256 683 V C 0.962 177.097 176.094 0.068 0.000 1.080 683 V CA 2.627 64.944 62.300 0.029 0.000 1.101 683 V CB 0.181 32.002 31.823 -0.003 0.000 0.698 683 V HN 1.210 nan 8.190 nan 0.000 0.477 684 S N -0.516 115.233 115.700 0.081 0.000 2.707 684 S HA 0.610 5.080 4.470 -0.000 0.000 0.312 684 S C 0.454 175.140 174.600 0.143 0.000 1.116 684 S CA -0.017 58.255 58.200 0.119 0.000 1.078 684 S CB 1.168 64.426 63.200 0.097 0.000 0.997 684 S HN 0.463 nan 8.310 nan 0.000 0.477 685 G N 3.108 112.036 108.800 0.213 0.000 3.609 685 G HA2 0.208 4.168 3.960 -0.000 0.000 0.280 685 G HA3 0.208 4.168 3.960 -0.000 0.000 0.280 685 G C 0.432 175.512 174.900 0.300 0.000 1.155 685 G CA -0.586 44.676 45.100 0.271 0.000 0.876 685 G HN 0.814 nan 8.290 nan 0.000 0.535 686 N N -1.526 117.306 118.700 0.222 0.000 2.800 686 N HA -0.234 4.506 4.740 -0.000 0.000 0.250 686 N C 0.345 175.992 175.510 0.229 0.000 1.078 686 N CA 0.808 53.965 53.050 0.179 0.000 0.804 686 N CB -1.531 37.032 38.487 0.126 0.000 1.135 686 N HN 0.522 nan 8.380 nan 0.000 0.565 687 Y N -0.237 120.143 120.300 0.133 0.000 2.468 687 Y HA 0.233 4.783 4.550 -0.000 0.000 0.268 687 Y C 1.715 177.687 175.900 0.119 0.000 1.177 687 Y CA -0.122 58.047 58.100 0.115 0.000 1.265 687 Y CB -0.031 38.554 38.460 0.208 0.000 1.103 687 Y HN 0.354 nan 8.280 nan 0.000 0.522 688 C N -0.801 118.582 119.300 0.137 0.000 2.442 688 C HA -0.081 4.379 4.460 -0.000 0.000 0.279 688 C C 1.220 176.197 174.990 -0.021 0.000 1.237 688 C CA 1.116 60.180 59.018 0.077 0.000 1.722 688 C CB -1.236 26.567 27.740 0.106 0.000 2.056 688 C HN 0.327 nan 8.230 nan 0.000 0.469 689 T N 0.667 115.210 114.554 -0.018 0.000 2.859 689 T HA 0.404 4.754 4.350 -0.000 0.000 0.281 689 T C -1.032 173.693 174.700 0.041 0.000 1.005 689 T CA 0.085 62.201 62.100 0.027 0.000 1.025 689 T CB 1.435 70.311 68.868 0.015 0.000 0.977 689 T HN 0.319 nan 8.240 nan 0.000 0.458 690 D N 1.747 122.180 120.400 0.056 0.000 2.303 690 D HA 0.333 4.972 4.640 -0.000 0.000 0.236 690 D C -0.057 176.270 176.300 0.046 0.000 1.068 690 D CA -0.494 53.538 54.000 0.053 0.000 0.830 690 D CB 0.443 41.279 40.800 0.060 0.000 1.109 690 D HN 0.494 nan 8.370 nan 0.000 0.496 691 K N 0.900 121.325 120.400 0.041 0.000 3.160 691 K HA -0.230 4.090 4.320 -0.000 0.000 0.280 691 K C -0.655 175.959 176.600 0.023 0.000 1.154 691 K CA 0.754 57.061 56.287 0.033 0.000 0.822 691 K CB -0.899 31.622 32.500 0.035 0.000 1.239 691 K HN 0.321 nan 8.250 nan 0.000 0.489 692 K N -0.023 120.390 120.400 0.022 0.000 2.502 692 K HA 0.363 4.683 4.320 -0.000 0.000 0.257 692 K C -2.740 173.865 176.600 0.008 0.000 0.938 692 K CA -1.987 54.308 56.287 0.014 0.000 0.819 692 K CB 1.566 34.078 32.500 0.021 0.000 1.333 692 K HN -0.233 nan 8.250 nan 0.000 0.434 693 P HA 0.285 nan 4.420 nan 0.000 0.271 693 P C -1.376 175.921 177.300 -0.006 0.000 1.216 693 P CA -0.375 62.716 63.100 -0.015 0.000 0.771 693 P CB 1.088 32.766 31.700 -0.036 0.000 0.864 694 A N 2.210 125.033 122.820 0.004 0.000 2.540 694 A HA 0.557 4.877 4.320 -0.000 0.000 0.297 694 A C 0.814 178.420 177.584 0.037 0.000 1.056 694 A CA -0.127 51.916 52.037 0.010 0.000 0.700 694 A CB 1.112 20.114 19.000 0.003 0.000 1.280 694 A HN 0.387 nan 8.150 nan 0.000 0.398 695 A N 1.708 124.552 122.820 0.041 0.000 2.019 695 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 695 A C 1.762 179.405 177.584 0.099 0.000 1.164 695 A CA 1.755 53.853 52.037 0.101 0.000 0.644 695 A CB -0.559 18.491 19.000 0.083 0.000 0.805 695 A HN 1.225 nan 8.150 nan 0.000 0.449 696 I N -0.192 120.375 120.570 -0.005 0.000 2.286 696 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 696 I C 1.869 177.941 176.117 -0.074 0.000 1.115 696 I CA 1.550 62.788 61.300 -0.104 0.000 1.392 696 I CB -0.162 37.672 38.000 -0.276 0.000 1.065 696 I HN 0.286 nan 8.210 nan 0.000 0.418 697 N N 0.537 119.232 118.700 -0.008 0.000 2.142 697 N HA -0.252 4.488 4.740 -0.000 0.000 0.186 697 N C 1.482 177.050 175.510 0.098 0.000 1.023 697 N CA 1.498 54.563 53.050 0.025 0.000 0.852 697 N CB -0.666 37.855 38.487 0.056 0.000 0.998 697 N HN 0.618 nan 8.380 nan 0.000 0.424 698 W N 1.627 122.900 121.300 -0.044 0.000 2.355 698 W HA -0.088 4.571 4.660 -0.001 0.000 0.309 698 W C 1.487 177.985 176.519 -0.036 0.000 1.206 698 W CA 0.910 58.241 57.345 -0.023 0.000 1.284 698 W CB -0.167 29.293 29.460 0.000 0.000 1.145 698 W HN -0.008 nan 8.180 nan 0.000 0.502 699 I N 0.224 120.778 120.570 -0.025 0.000 2.400 699 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 699 I C 1.987 177.998 176.117 -0.176 0.000 1.109 699 I CA 1.220 62.423 61.300 -0.161 0.000 1.425 699 I CB -0.417 37.555 38.000 -0.048 0.000 1.094 699 I HN -0.177 nan 8.210 nan 0.000 0.425 700 E N 0.536 120.646 120.200 -0.149 0.000 2.340 700 E HA 0.220 4.570 4.350 -0.000 0.000 0.194 700 E C 0.542 177.069 176.600 -0.123 0.000 0.996 700 E CA 0.523 56.828 56.400 -0.157 0.000 0.869 700 E CB 0.394 29.965 29.700 -0.215 0.000 0.835 700 E HN 0.391 nan 8.360 nan 0.000 0.493 701 G N 0.612 109.348 108.800 -0.105 0.000 2.712 701 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 701 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 701 G C -0.691 174.186 174.900 -0.039 0.000 1.321 701 G CA -0.201 44.855 45.100 -0.072 0.000 0.813 701 G HN 0.214 nan 8.290 nan 0.000 0.599 702 R N 0.568 121.063 120.500 -0.008 0.000 2.536 702 R HA 0.582 4.922 4.340 -0.000 0.000 0.269 702 R C 0.979 177.295 176.300 0.027 0.000 1.113 702 R CA 0.761 56.868 56.100 0.012 0.000 0.948 702 R CB 1.097 31.409 30.300 0.021 0.000 1.237 702 R HN 2.806 nan 8.270 nan 0.000 0.441 703 G N 3.253 112.073 108.800 0.033 0.000 2.543 703 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.286 703 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.286 703 G C -1.091 173.823 174.900 0.023 0.000 1.153 703 G CA 0.283 45.404 45.100 0.035 0.000 0.968 703 G HN 0.459 nan 8.290 nan 0.000 0.544 704 K N 1.130 121.544 120.400 0.023 0.000 2.213 704 K HA 0.702 5.022 4.320 -0.000 0.000 0.270 704 K C -0.330 176.273 176.600 0.005 0.000 1.002 704 K CA -0.013 56.281 56.287 0.012 0.000 0.868 704 K CB 1.758 34.265 32.500 0.012 0.000 1.093 704 K HN 0.483 nan 8.250 nan 0.000 0.454 705 S N 1.752 117.445 115.700 -0.013 0.000 2.438 705 S HA 0.566 5.036 4.470 -0.000 0.000 0.293 705 S C -0.622 173.963 174.600 -0.025 0.000 1.141 705 S CA -0.799 57.382 58.200 -0.031 0.000 1.080 705 S CB 0.732 63.897 63.200 -0.058 0.000 0.978 705 S HN 0.252 nan 8.310 nan 0.000 0.479 706 V N 3.267 123.169 119.914 -0.020 0.000 3.007 706 V HA 0.694 4.814 4.120 -0.000 0.000 0.311 706 V C -0.556 175.530 176.094 -0.013 0.000 1.120 706 V CA -0.756 61.536 62.300 -0.013 0.000 0.980 706 V CB 2.154 33.974 31.823 -0.004 0.000 1.033 706 V HN 0.583 nan 8.190 nan 0.000 0.429 707 V N 2.516 122.426 119.914 -0.008 0.000 2.876 707 V HA 0.806 4.926 4.120 -0.000 0.000 0.312 707 V C -1.054 175.043 176.094 0.005 0.000 1.085 707 V CA -0.195 62.105 62.300 -0.001 0.000 0.945 707 V CB 1.961 33.784 31.823 0.001 0.000 1.017 707 V HN 1.135 nan 8.190 nan 0.000 0.428 708 C N 5.181 124.483 119.300 0.002 0.000 2.994 708 C HA 0.947 5.407 4.460 -0.000 0.000 0.304 708 C C -0.989 173.986 174.990 -0.025 0.000 1.273 708 C CA -0.014 59.002 59.018 -0.003 0.000 1.537 708 C CB 1.621 29.356 27.740 -0.009 0.000 2.001 708 C HN 1.116 nan 8.230 nan 0.000 0.471 709 E N 2.491 122.672 120.200 -0.033 0.000 2.423 709 E HA 0.796 5.146 4.350 -0.000 0.000 0.280 709 E C -1.368 175.180 176.600 -0.087 0.000 1.030 709 E CA -0.773 55.561 56.400 -0.110 0.000 0.812 709 E CB 1.735 31.427 29.700 -0.013 0.000 1.313 709 E HN 1.235 nan 8.360 nan 0.000 0.456 710 A N 0.536 123.254 122.820 -0.169 0.000 2.597 710 A HA 0.559 4.879 4.320 -0.000 0.000 0.292 710 A C -1.748 175.790 177.584 -0.076 0.000 1.057 710 A CA -0.657 51.339 52.037 -0.068 0.000 0.674 710 A CB 1.716 20.688 19.000 -0.047 0.000 1.278 710 A HN 0.385 nan 8.150 nan 0.000 0.416 711 V N 2.268 122.193 119.914 0.019 0.000 2.487 711 V HA 0.467 4.587 4.120 -0.000 0.000 0.298 711 V C -0.783 175.330 176.094 0.031 0.000 1.028 711 V CA -0.507 61.827 62.300 0.057 0.000 0.860 711 V CB 1.489 33.380 31.823 0.114 0.000 0.991 711 V HN 0.645 nan 8.190 nan 0.000 0.427 712 I N 6.251 126.835 120.570 0.023 0.000 2.312 712 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 712 I C -2.386 173.747 176.117 0.027 0.000 1.008 712 I CA -2.884 58.428 61.300 0.019 0.000 1.226 712 I CB 1.265 39.271 38.000 0.010 0.000 1.371 712 I HN 0.333 nan 8.210 nan 0.000 0.468 713 P HA 0.004 nan 4.420 nan 0.000 0.265 713 P C 0.759 178.072 177.300 0.022 0.000 1.187 713 P CA 0.250 63.364 63.100 0.024 0.000 0.766 713 P CB 0.852 32.564 31.700 0.020 0.000 0.820 714 A N 4.512 127.345 122.820 0.021 0.000 1.917 714 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 714 A C 2.089 179.682 177.584 0.016 0.000 1.182 714 A CA 2.000 54.048 52.037 0.019 0.000 0.633 714 A CB -1.125 17.885 19.000 0.017 0.000 0.819 714 A HN 0.590 nan 8.150 nan 0.000 0.448 715 K N -0.432 119.977 120.400 0.015 0.000 2.063 715 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 715 K C 1.796 178.405 176.600 0.015 0.000 1.048 715 K CA 1.707 58.002 56.287 0.014 0.000 0.928 715 K CB -0.277 32.231 32.500 0.013 0.000 0.713 715 K HN 0.266 nan 8.250 nan 0.000 0.442 716 V N 0.699 120.623 119.914 0.016 0.000 2.427 716 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 716 V C 2.308 178.413 176.094 0.018 0.000 1.051 716 V CA 1.426 63.736 62.300 0.016 0.000 1.048 716 V CB -0.146 31.687 31.823 0.016 0.000 0.666 716 V HN 0.160 nan 8.190 nan 0.000 0.456 717 V N 0.261 120.185 119.914 0.017 0.000 2.332 717 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 717 V C 2.592 178.697 176.094 0.018 0.000 1.055 717 V CA 2.216 64.526 62.300 0.017 0.000 1.038 717 V CB -0.806 31.026 31.823 0.015 0.000 0.651 717 V HN 0.521 nan 8.190 nan 0.000 0.450 718 R N -0.094 120.416 120.500 0.017 0.000 2.062 718 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 718 R C 2.317 178.631 176.300 0.024 0.000 1.136 718 R CA 1.646 57.757 56.100 0.019 0.000 0.948 718 R CB -0.330 29.979 30.300 0.016 0.000 0.845 718 R HN 0.598 nan 8.270 nan 0.000 0.430 719 E N 0.305 120.518 120.200 0.021 0.000 2.033 719 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 719 E C 2.153 178.768 176.600 0.024 0.000 0.979 719 E CA 1.223 57.636 56.400 0.021 0.000 0.802 719 E CB 0.084 29.794 29.700 0.016 0.000 0.763 719 E HN 0.074 nan 8.360 nan 0.000 0.449 720 V N 1.451 121.378 119.914 0.023 0.000 2.302 720 V HA -0.154 3.966 4.120 -0.000 0.000 0.243 720 V C 2.213 178.327 176.094 0.032 0.000 1.036 720 V CA 1.235 63.549 62.300 0.024 0.000 1.020 720 V CB -0.301 31.535 31.823 0.021 0.000 0.657 720 V HN 0.209 nan 8.190 nan 0.000 0.453 721 L N -0.197 121.046 121.223 0.033 0.000 2.554 721 L HA 0.103 4.443 4.340 -0.000 0.000 0.226 721 L C 0.845 177.750 176.870 0.058 0.000 1.137 721 L CA 0.205 55.069 54.840 0.041 0.000 0.863 721 L CB -0.274 41.801 42.059 0.027 0.000 0.985 721 L HN 0.285 nan 8.230 nan 0.000 0.451 722 K N 0.405 120.841 120.400 0.060 0.000 3.071 722 K HA -0.189 4.131 4.320 -0.000 0.000 0.265 722 K C 0.198 176.822 176.600 0.040 0.000 1.060 722 K CA 1.059 57.397 56.287 0.084 0.000 0.767 722 K CB -2.332 30.285 32.500 0.196 0.000 1.241 722 K HN 0.487 nan 8.250 nan 0.000 0.486 723 T N -2.224 112.339 114.554 0.014 0.000 2.606 723 T HA 0.494 4.844 4.350 -0.000 0.000 0.289 723 T C -1.115 173.582 174.700 -0.004 0.000 1.113 723 T CA 0.169 62.261 62.100 -0.014 0.000 1.106 723 T CB 2.011 70.859 68.868 -0.035 0.000 1.611 723 T HN 0.053 nan 8.240 nan 0.000 0.471 724 T N 0.650 115.198 114.554 -0.009 0.000 2.893 724 T HA 0.462 4.812 4.350 -0.000 0.000 0.291 724 T C 0.992 175.694 174.700 0.002 0.000 1.028 724 T CA -0.268 61.831 62.100 -0.002 0.000 0.995 724 T CB 1.584 70.450 68.868 -0.004 0.000 1.051 724 T HN 0.634 nan 8.240 nan 0.000 0.470 725 T N 1.553 116.112 114.554 0.009 0.000 2.684 725 T HA -0.141 4.208 4.350 -0.000 0.000 0.267 725 T C 1.828 176.536 174.700 0.014 0.000 1.036 725 T CA 1.714 63.823 62.100 0.015 0.000 1.148 725 T CB -0.143 68.739 68.868 0.022 0.000 0.863 725 T HN 0.726 nan 8.240 nan 0.000 0.436 726 E N 0.709 120.915 120.200 0.010 0.000 2.077 726 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 726 E C 2.381 178.983 176.600 0.003 0.000 0.989 726 E CA 1.074 57.479 56.400 0.009 0.000 0.800 726 E CB -0.222 29.482 29.700 0.006 0.000 0.746 726 E HN 0.476 nan 8.360 nan 0.000 0.452 727 A N 1.144 123.962 122.820 -0.004 0.000 1.902 727 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 727 A C 2.222 179.800 177.584 -0.010 0.000 1.181 727 A CA 1.609 53.639 52.037 -0.012 0.000 0.623 727 A CB -0.436 18.549 19.000 -0.024 0.000 0.818 727 A HN 0.288 nan 8.150 nan 0.000 0.443 728 M N -0.389 119.207 119.600 -0.006 0.000 2.065 728 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 728 M C 2.241 178.545 176.300 0.007 0.000 1.069 728 M CA 1.591 56.890 55.300 -0.002 0.000 1.110 728 M CB -1.243 31.359 32.600 0.003 0.000 1.328 728 M HN 0.436 nan 8.290 nan 0.000 0.405 729 I N -0.321 120.258 120.570 0.015 0.000 2.208 729 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 729 I C 2.392 178.521 176.117 0.019 0.000 1.097 729 I CA 1.270 62.584 61.300 0.024 0.000 1.363 729 I CB -0.419 37.599 38.000 0.030 0.000 1.051 729 I HN 0.268 nan 8.210 nan 0.000 0.413 730 E N 0.590 120.797 120.200 0.011 0.000 2.077 730 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 730 E C 2.159 178.761 176.600 0.005 0.000 0.989 730 E CA 1.126 57.530 56.400 0.007 0.000 0.800 730 E CB -0.082 29.618 29.700 0.001 0.000 0.746 730 E HN 0.249 nan 8.360 nan 0.000 0.452 731 V N 0.814 120.728 119.914 -0.001 0.000 2.453 731 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 731 V C 2.098 178.195 176.094 0.005 0.000 1.048 731 V CA 1.819 64.116 62.300 -0.005 0.000 1.049 731 V CB -0.674 31.139 31.823 -0.016 0.000 0.672 731 V HN 0.309 nan 8.190 nan 0.000 0.457 732 N N 0.324 119.032 118.700 0.013 0.000 2.106 732 N HA -0.111 4.628 4.740 -0.000 0.000 0.188 732 N C 1.684 177.217 175.510 0.039 0.000 1.029 732 N CA 1.541 54.607 53.050 0.027 0.000 0.848 732 N CB -0.189 38.318 38.487 0.032 0.000 1.007 732 N HN 0.436 nan 8.380 nan 0.000 0.423 733 I N 0.440 121.032 120.570 0.036 0.000 2.179 733 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 733 I C 1.461 177.601 176.117 0.039 0.000 1.088 733 I CA 0.983 62.307 61.300 0.041 0.000 1.357 733 I CB -0.289 37.730 38.000 0.032 0.000 1.051 733 I HN 0.281 nan 8.210 nan 0.000 0.409 734 N N 0.407 119.122 118.700 0.024 0.000 2.494 734 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 734 N C 1.625 177.143 175.510 0.013 0.000 1.076 734 N CA 0.703 53.764 53.050 0.018 0.000 0.908 734 N CB 0.245 38.737 38.487 0.008 0.000 0.967 734 N HN 0.479 nan 8.380 nan 0.000 0.449 735 K N 0.882 121.289 120.400 0.013 0.000 2.214 735 K HA 0.112 4.431 4.320 -0.000 0.000 0.210 735 K C 1.124 177.729 176.600 0.009 0.000 1.036 735 K CA 0.173 56.460 56.287 -0.000 0.000 0.958 735 K CB 0.178 32.672 32.500 -0.010 0.000 0.973 735 K HN -0.156 nan 8.250 nan 0.000 0.466 736 N N 1.047 119.767 118.700 0.033 0.000 2.396 736 N HA -0.043 4.697 4.740 -0.000 0.000 0.180 736 N C 1.692 177.305 175.510 0.172 0.000 1.028 736 N CA 0.863 53.953 53.050 0.068 0.000 0.893 736 N CB 0.123 38.659 38.487 0.082 0.000 0.967 736 N HN 0.249 nan 8.380 nan 0.000 0.440 737 L N -0.920 120.399 121.223 0.160 0.000 2.546 737 L HA 0.128 4.468 4.340 -0.000 0.000 0.182 737 L C 2.040 179.020 176.870 0.182 0.000 1.167 737 L CA 0.220 55.199 54.840 0.233 0.000 0.845 737 L CB -0.612 41.523 42.059 0.127 0.000 1.134 737 L HN -0.175 nan 8.230 nan 0.000 0.500 738 V N 0.700 120.671 119.914 0.095 0.000 2.343 738 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 738 V C 2.574 178.691 176.094 0.037 0.000 1.051 738 V CA 2.154 64.492 62.300 0.063 0.000 1.036 738 V CB -1.397 30.448 31.823 0.037 0.000 0.654 738 V HN 0.610 nan 8.190 nan 0.000 0.451 739 G N -0.588 108.221 108.800 0.015 0.000 2.421 739 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 739 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 739 G C 1.850 176.714 174.900 -0.060 0.000 1.171 739 G CA 1.133 46.220 45.100 -0.021 0.000 0.775 739 G HN 0.502 nan 8.290 nan 0.000 0.543 740 S N 1.023 116.663 115.700 -0.100 0.000 2.383 740 S HA -0.042 4.428 4.470 -0.000 0.000 0.229 740 S C 2.763 177.244 174.600 -0.199 0.000 1.030 740 S CA 1.245 59.282 58.200 -0.273 0.000 1.002 740 S CB -0.359 62.471 63.200 -0.617 0.000 0.829 740 S HN 0.600 nan 8.310 nan 0.000 0.467 741 A N 1.796 124.618 122.820 0.004 0.000 1.877 741 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 741 A C 2.078 179.667 177.584 0.009 0.000 1.186 741 A CA 1.462 53.547 52.037 0.079 0.000 0.620 741 A CB -0.533 18.549 19.000 0.138 0.000 0.822 741 A HN 0.362 nan 8.150 nan 0.000 0.443 742 M N -0.226 119.371 119.600 -0.004 0.000 2.213 742 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 742 M C 2.221 178.500 176.300 -0.034 0.000 1.062 742 M CA 1.311 56.602 55.300 -0.014 0.000 1.105 742 M CB -1.554 31.038 32.600 -0.014 0.000 1.385 742 M HN 0.473 nan 8.290 nan 0.000 0.417 743 A N -0.685 122.098 122.820 -0.062 0.000 2.238 743 A HA 0.407 4.727 4.320 -0.000 0.000 0.208 743 A C 1.492 179.026 177.584 -0.084 0.000 1.177 743 A CA 0.783 52.773 52.037 -0.077 0.000 0.804 743 A CB -0.830 18.108 19.000 -0.104 0.000 0.823 743 A HN 0.646 nan 8.150 nan 0.000 0.482 744 G N -0.142 108.612 108.800 -0.076 0.000 2.289 744 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.280 744 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.280 744 G C 0.155 174.987 174.900 -0.114 0.000 1.089 744 G CA 0.537 45.597 45.100 -0.067 0.000 0.939 744 G HN 1.044 nan 8.290 nan 0.000 0.499 745 S N -0.521 115.064 115.700 -0.192 0.000 2.554 745 S HA 0.739 5.209 4.470 -0.000 0.000 0.278 745 S C 0.488 174.929 174.600 -0.265 0.000 1.242 745 S CA -0.835 57.182 58.200 -0.305 0.000 1.051 745 S CB 0.452 63.319 63.200 -0.556 0.000 0.986 745 S HN 0.414 nan 8.310 nan 0.000 0.502 746 I N 4.300 124.706 120.570 -0.274 0.000 2.405 746 I HA 0.371 4.541 4.170 -0.000 0.000 0.280 746 I C 1.234 177.009 176.117 -0.571 0.000 1.027 746 I CA 0.165 61.287 61.300 -0.296 0.000 1.161 746 I CB 0.232 38.120 38.000 -0.186 0.000 1.300 746 I HN 1.045 nan 8.210 nan 0.000 0.463 747 G N 4.837 113.052 108.800 -0.975 0.000 2.175 747 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 747 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 747 G C 0.781 175.274 174.900 -0.678 0.000 0.982 747 G CA -0.019 44.219 45.100 -1.437 0.000 0.641 747 G HN 0.867 nan 8.290 nan 0.000 0.527 748 G N -0.126 108.333 108.800 -0.569 0.000 4.420 748 G HA2 0.491 4.450 3.960 -0.000 0.000 0.299 748 G HA3 0.491 4.450 3.960 -0.000 0.000 0.299 748 G C -0.017 174.602 174.900 -0.468 0.000 1.343 748 G CA -0.476 44.383 45.100 -0.402 0.000 1.272 748 G HN 0.361 nan 8.290 nan 0.000 0.610 749 Y N 1.572 121.781 120.300 -0.151 0.000 2.928 749 Y HA 0.240 4.789 4.550 -0.000 0.000 0.390 749 Y C 0.728 176.630 175.900 0.003 0.000 1.101 749 Y CA -0.836 57.232 58.100 -0.052 0.000 1.777 749 Y CB -0.267 38.191 38.460 -0.004 0.000 1.720 749 Y HN 0.617 nan 8.280 nan 0.000 0.484 750 N N -2.003 116.720 118.700 0.037 0.000 2.934 750 N HA 0.668 5.408 4.740 -0.000 0.000 0.253 750 N C 0.105 175.630 175.510 0.024 0.000 1.466 750 N CA -0.511 52.572 53.050 0.056 0.000 0.858 750 N CB 0.775 39.303 38.487 0.068 0.000 1.459 750 N HN -0.063 nan 8.380 nan 0.000 0.532 751 A N -0.454 122.399 122.820 0.056 0.000 1.862 751 A HA 0.093 4.413 4.320 -0.000 0.000 0.211 751 A C 0.734 178.381 177.584 0.105 0.000 1.220 751 A CA 1.496 53.555 52.037 0.036 0.000 0.616 751 A CB -0.929 18.069 19.000 -0.004 0.000 0.878 751 A HN 0.970 nan 8.150 nan 0.000 0.453 752 H N -4.595 114.459 119.070 -0.026 0.000 3.186 752 H HA 0.649 5.205 4.556 -0.000 0.000 0.219 752 H C 0.685 175.993 175.328 -0.034 0.000 1.393 752 H CA 0.042 56.071 56.048 -0.033 0.000 1.183 752 H CB -0.064 29.681 29.762 -0.028 0.000 2.346 752 H HN 0.254 nan 8.280 nan 0.000 0.535 753 A N 1.211 124.026 122.820 -0.008 0.000 1.978 753 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 753 A C 2.527 180.027 177.584 -0.141 0.000 1.170 753 A CA 1.772 53.756 52.037 -0.088 0.000 0.636 753 A CB -0.762 18.221 19.000 -0.028 0.000 0.810 753 A HN 0.752 nan 8.150 nan 0.000 0.448 754 A N 0.076 122.831 122.820 -0.107 0.000 1.972 754 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 754 A C 1.932 179.427 177.584 -0.148 0.000 1.169 754 A CA 1.752 53.713 52.037 -0.126 0.000 0.635 754 A CB -0.562 18.387 19.000 -0.085 0.000 0.810 754 A HN 0.550 nan 8.150 nan 0.000 0.446 755 N N 0.253 118.852 118.700 -0.168 0.000 2.142 755 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 755 N C 1.590 176.984 175.510 -0.192 0.000 1.023 755 N CA 1.559 54.507 53.050 -0.170 0.000 0.852 755 N CB -0.309 38.060 38.487 -0.197 0.000 0.998 755 N HN 0.413 nan 8.380 nan 0.000 0.424 756 I N 0.532 120.948 120.570 -0.258 0.000 2.233 756 I HA -0.125 4.045 4.170 -0.000 0.000 0.243 756 I C 2.328 178.364 176.117 -0.134 0.000 1.093 756 I CA 0.653 61.846 61.300 -0.178 0.000 1.380 756 I CB -1.407 36.485 38.000 -0.180 0.000 1.067 756 I HN -0.126 nan 8.210 nan 0.000 0.413 757 V N 1.247 121.047 119.914 -0.190 0.000 2.252 757 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 757 V C 2.663 178.543 176.094 -0.356 0.000 1.056 757 V CA 2.629 64.740 62.300 -0.316 0.000 1.022 757 V CB -1.240 30.321 31.823 -0.437 0.000 0.641 757 V HN 0.445 nan 8.190 nan 0.000 0.445 758 T N 0.178 114.577 114.554 -0.258 0.000 2.720 758 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 758 T C 2.015 176.702 174.700 -0.021 0.000 1.037 758 T CA 1.654 63.667 62.100 -0.144 0.000 1.144 758 T CB -0.456 68.350 68.868 -0.104 0.000 0.864 758 T HN 0.592 nan 8.240 nan 0.000 0.444 759 A N 1.020 123.823 122.820 -0.028 0.000 1.898 759 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 759 A C 2.285 179.899 177.584 0.051 0.000 1.181 759 A CA 1.142 53.184 52.037 0.008 0.000 0.620 759 A CB -0.705 18.287 19.000 -0.013 0.000 0.819 759 A HN 0.522 nan 8.150 nan 0.000 0.442 760 I N -1.946 118.668 120.570 0.073 0.000 2.315 760 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 760 I C 2.321 178.558 176.117 0.199 0.000 1.117 760 I CA 1.045 62.415 61.300 0.117 0.000 1.404 760 I CB -0.380 37.692 38.000 0.120 0.000 1.071 760 I HN 0.318 nan 8.210 nan 0.000 0.419 761 Y N 0.892 121.177 120.300 -0.025 0.000 2.145 761 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 761 Y C 2.439 178.331 175.900 -0.012 0.000 1.145 761 Y CA 1.191 59.280 58.100 -0.019 0.000 1.148 761 Y CB -0.666 37.784 38.460 -0.016 0.000 0.981 761 Y HN 0.085 nan 8.280 nan 0.000 0.507 762 I N -0.816 119.849 120.570 0.158 0.000 2.252 762 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 762 I C 2.533 178.680 176.117 0.050 0.000 1.102 762 I CA 1.169 62.518 61.300 0.083 0.000 1.385 762 I CB -0.629 37.408 38.000 0.062 0.000 1.064 762 I HN 0.131 nan 8.210 nan 0.000 0.414 763 A N -0.284 122.565 122.820 0.048 0.000 1.933 763 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 763 A C 2.058 179.648 177.584 0.010 0.000 1.175 763 A CA 1.496 53.549 52.037 0.027 0.000 0.628 763 A CB -0.922 18.094 19.000 0.027 0.000 0.814 763 A HN 0.577 nan 8.150 nan 0.000 0.444 764 C N -0.646 118.653 119.300 -0.000 0.000 2.614 764 C HA 0.497 4.957 4.460 -0.000 0.000 0.299 764 C C 1.767 176.720 174.990 -0.063 0.000 1.293 764 C CA -0.183 58.812 59.018 -0.038 0.000 1.713 764 C CB -1.291 26.412 27.740 -0.061 0.000 1.890 764 C HN 1.043 nan 8.230 nan 0.000 0.602 765 G N 1.266 110.042 108.800 -0.039 0.000 2.179 765 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.257 765 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.257 765 G C 0.116 174.967 174.900 -0.081 0.000 1.010 765 G CA 0.175 45.249 45.100 -0.043 0.000 0.736 765 G HN 0.538 nan 8.290 nan 0.000 0.513 766 Q N -0.087 119.632 119.800 -0.135 0.000 2.272 766 Q HA 0.381 4.721 4.340 -0.000 0.000 0.192 766 Q C -0.140 175.823 176.000 -0.061 0.000 1.059 766 Q CA -0.477 55.183 55.803 -0.239 0.000 1.084 766 Q CB 0.488 28.784 28.738 -0.736 0.000 1.139 766 Q HN 0.321 nan 8.270 nan 0.000 0.593 767 D N -0.193 120.200 120.400 -0.013 0.000 2.396 767 D HA 0.302 4.941 4.640 -0.000 0.000 0.225 767 D C 0.174 176.603 176.300 0.214 0.000 1.121 767 D CA -0.205 53.844 54.000 0.082 0.000 0.853 767 D CB 1.067 41.903 40.800 0.061 0.000 1.043 767 D HN 0.508 nan 8.370 nan 0.000 0.500 768 A N 3.646 126.573 122.820 0.179 0.000 2.070 768 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 768 A C 2.028 179.666 177.584 0.089 0.000 1.159 768 A CA 1.475 53.613 52.037 0.169 0.000 0.656 768 A CB -0.188 18.871 19.000 0.099 0.000 0.800 768 A HN 0.610 nan 8.150 nan 0.000 0.453 769 A N -0.602 122.265 122.820 0.078 0.000 2.019 769 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 769 A C 1.917 179.530 177.584 0.049 0.000 1.164 769 A CA 1.360 53.425 52.037 0.047 0.000 0.644 769 A CB -0.424 18.601 19.000 0.042 0.000 0.805 769 A HN 0.650 nan 8.150 nan 0.000 0.449 770 Q N -0.629 119.227 119.800 0.095 0.000 2.515 770 Q HA -0.091 4.249 4.340 -0.000 0.000 0.212 770 Q C 1.434 177.453 176.000 0.032 0.000 0.970 770 Q CA 0.552 56.416 55.803 0.100 0.000 0.941 770 Q CB -0.251 28.593 28.738 0.177 0.000 0.998 770 Q HN 0.753 nan 8.270 nan 0.000 0.518 771 N N 0.027 118.696 118.700 -0.052 0.000 2.364 771 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 771 N C 1.346 176.800 175.510 -0.093 0.000 1.022 771 N CA 0.680 53.625 53.050 -0.174 0.000 0.883 771 N CB 0.086 38.462 38.487 -0.185 0.000 0.965 771 N HN 0.006 nan 8.380 nan 0.000 0.438 772 V N -0.411 119.478 119.914 -0.041 0.000 2.252 772 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 772 V C 2.193 178.276 176.094 -0.019 0.000 1.056 772 V CA 2.216 64.499 62.300 -0.029 0.000 1.022 772 V CB -1.071 30.746 31.823 -0.010 0.000 0.641 772 V HN 0.581 nan 8.190 nan 0.000 0.445 773 G N -2.107 106.696 108.800 0.005 0.000 2.656 773 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.211 773 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.211 773 G C 1.701 176.625 174.900 0.039 0.000 1.137 773 G CA 0.709 45.828 45.100 0.030 0.000 0.802 773 G HN 0.462 nan 8.290 nan 0.000 0.527 774 S N 1.057 116.767 115.700 0.017 0.000 2.442 774 S HA -0.061 4.409 4.470 -0.000 0.000 0.236 774 S C 2.479 177.061 174.600 -0.030 0.000 1.007 774 S CA 1.094 59.301 58.200 0.012 0.000 0.965 774 S CB -0.064 63.133 63.200 -0.005 0.000 0.773 774 S HN 0.306 nan 8.310 nan 0.000 0.504 775 S N 1.510 117.174 115.700 -0.059 0.000 2.522 775 S HA 0.080 4.550 4.470 -0.000 0.000 0.227 775 S C 0.444 175.052 174.600 0.012 0.000 0.986 775 S CA -0.116 58.050 58.200 -0.058 0.000 0.929 775 S CB -0.317 62.833 63.200 -0.083 0.000 0.769 775 S HN 0.585 nan 8.310 nan 0.000 0.529 776 N N 1.036 119.777 118.700 0.069 0.000 2.292 776 N HA 0.122 4.862 4.740 -0.000 0.000 0.258 776 N C -0.597 175.075 175.510 0.271 0.000 1.261 776 N CA 0.216 53.370 53.050 0.173 0.000 0.845 776 N CB 0.267 38.968 38.487 0.357 0.000 1.064 776 N HN 0.231 nan 8.380 nan 0.000 0.471 777 C N 3.842 123.325 119.300 0.306 0.000 3.199 777 C HA 0.438 4.898 4.460 -0.000 0.000 0.392 777 C C -1.119 174.085 174.990 0.357 0.000 1.050 777 C CA -0.857 58.349 59.018 0.313 0.000 1.222 777 C CB 0.326 28.152 27.740 0.143 0.000 1.595 777 C HN 0.783 nan 8.230 nan 0.000 0.560 778 I N 5.223 126.029 120.570 0.393 0.000 2.382 778 I HA 0.508 4.678 4.170 -0.000 0.000 0.286 778 I C -0.069 176.160 176.117 0.188 0.000 1.002 778 I CA 0.347 61.855 61.300 0.347 0.000 1.135 778 I CB 1.655 39.894 38.000 0.399 0.000 1.288 778 I HN 0.778 nan 8.210 nan 0.000 0.448 779 T N 8.304 122.951 114.554 0.156 0.000 2.744 779 T HA 0.531 4.881 4.350 -0.000 0.000 0.291 779 T C -0.291 174.459 174.700 0.083 0.000 0.957 779 T CA -0.294 61.862 62.100 0.094 0.000 1.002 779 T CB 0.671 69.585 68.868 0.077 0.000 0.919 779 T HN 0.361 nan 8.240 nan 0.000 0.468 780 L N 3.832 125.091 121.223 0.060 0.000 2.362 780 L HA 0.687 5.027 4.340 -0.000 0.000 0.271 780 L C -0.340 176.562 176.870 0.052 0.000 1.002 780 L CA -0.847 54.036 54.840 0.072 0.000 0.818 780 L CB 1.971 44.092 42.059 0.102 0.000 1.298 780 L HN 0.433 nan 8.230 nan 0.000 0.420 781 M N 2.440 122.085 119.600 0.075 0.000 2.457 781 M HA 0.497 4.977 4.480 -0.000 0.000 0.300 781 M C -1.112 175.262 176.300 0.125 0.000 1.141 781 M CA -0.403 54.942 55.300 0.075 0.000 0.901 781 M CB 3.094 35.717 32.600 0.038 0.000 1.687 781 M HN 0.533 nan 8.290 nan 0.000 0.449 782 E N 0.942 121.249 120.200 0.178 0.000 2.392 782 E HA 0.708 5.058 4.350 -0.000 0.000 0.279 782 E C -1.569 175.112 176.600 0.134 0.000 0.964 782 E CA -0.689 55.804 56.400 0.155 0.000 0.777 782 E CB 2.459 32.276 29.700 0.194 0.000 1.249 782 E HN 0.795 nan 8.360 nan 0.000 0.449 783 A N 1.636 124.502 122.820 0.077 0.000 2.388 783 A HA 0.550 4.870 4.320 -0.000 0.000 0.257 783 A C -0.251 177.366 177.584 0.055 0.000 1.095 783 A CA 0.098 52.170 52.037 0.060 0.000 0.791 783 A CB 1.124 20.144 19.000 0.034 0.000 1.029 783 A HN 0.343 nan 8.150 nan 0.000 0.489 784 S N 0.267 116.004 115.700 0.061 0.000 2.685 784 S HA 0.842 5.312 4.470 -0.000 0.000 0.282 784 S C -0.106 174.515 174.600 0.035 0.000 1.159 784 S CA 0.654 58.882 58.200 0.047 0.000 0.833 784 S CB 1.273 64.532 63.200 0.098 0.000 1.151 784 S HN 2.765 nan 8.310 nan 0.000 0.485 785 G N 2.295 111.108 108.800 0.023 0.000 2.712 785 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.683 785 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.683 785 G C -2.303 172.603 174.900 0.010 0.000 1.320 785 G CA -0.263 44.849 45.100 0.019 0.000 0.847 785 G HN 0.601 nan 8.290 nan 0.000 0.553 786 P HA -0.085 nan 4.420 nan 0.000 0.216 786 P C 1.897 179.201 177.300 0.005 0.000 1.157 786 P CA 2.961 66.064 63.100 0.006 0.000 0.880 786 P CB -0.034 31.670 31.700 0.007 0.000 0.791 787 T N -6.455 108.104 114.554 0.008 0.000 3.134 787 T HA 0.257 4.607 4.350 -0.000 0.000 0.260 787 T C 0.558 175.263 174.700 0.009 0.000 1.027 787 T CA -0.222 61.883 62.100 0.008 0.000 0.913 787 T CB -0.943 67.930 68.868 0.008 0.000 1.046 787 T HN -0.090 nan 8.240 nan 0.000 0.553 788 N N 1.392 120.099 118.700 0.011 0.000 2.725 788 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 788 N C 0.393 175.914 175.510 0.019 0.000 1.103 788 N CA 1.159 54.218 53.050 0.014 0.000 0.707 788 N CB -1.207 37.285 38.487 0.009 0.000 1.043 788 N HN 0.772 nan 8.380 nan 0.000 0.553 789 E N -1.209 119.004 120.200 0.020 0.000 2.511 789 E HA 0.072 4.422 4.350 -0.000 0.000 0.209 789 E C -0.492 176.124 176.600 0.027 0.000 0.986 789 E CA -0.175 56.237 56.400 0.021 0.000 0.974 789 E CB 0.410 30.119 29.700 0.016 0.000 1.030 789 E HN 0.386 nan 8.360 nan 0.000 0.490 790 D N 0.951 121.372 120.400 0.034 0.000 2.340 790 D HA 0.181 4.821 4.640 -0.000 0.000 0.251 790 D C -0.473 175.862 176.300 0.058 0.000 1.080 790 D CA -0.432 53.593 54.000 0.042 0.000 0.971 790 D CB 1.879 42.706 40.800 0.046 0.000 1.137 790 D HN -0.062 nan 8.370 nan 0.000 0.475 791 L N 2.182 123.439 121.223 0.057 0.000 2.262 791 L HA 0.223 4.563 4.340 -0.000 0.000 0.288 791 L C -1.271 175.648 176.870 0.081 0.000 1.035 791 L CA -0.689 54.189 54.840 0.063 0.000 0.820 791 L CB 0.510 42.587 42.059 0.030 0.000 1.204 791 L HN 0.235 nan 8.230 nan 0.000 0.424 792 Y N 6.311 126.618 120.300 0.013 0.000 2.327 792 Y HA 0.578 5.128 4.550 -0.000 0.000 0.336 792 Y C -0.705 175.205 175.900 0.018 0.000 1.035 792 Y CA -0.452 57.656 58.100 0.014 0.000 1.165 792 Y CB 0.904 39.370 38.460 0.011 0.000 1.181 792 Y HN 0.650 nan 8.280 nan 0.000 0.494 793 I N 6.087 126.254 120.570 -0.671 0.000 2.647 793 I HA 0.636 4.806 4.170 -0.000 0.000 0.295 793 I C -1.408 174.328 176.117 -0.635 0.000 1.078 793 I CA -0.427 60.594 61.300 -0.464 0.000 1.048 793 I CB 1.738 39.617 38.000 -0.202 0.000 1.239 793 I HN 0.751 nan 8.210 nan 0.000 0.421 794 S N 5.877 121.373 115.700 -0.341 0.000 2.546 794 S HA 0.696 5.166 4.470 -0.000 0.000 0.274 794 S C -1.341 173.228 174.600 -0.051 0.000 1.121 794 S CA -0.639 57.448 58.200 -0.188 0.000 0.887 794 S CB 1.490 64.653 63.200 -0.062 0.000 1.094 794 S HN 0.710 nan 8.310 nan 0.000 0.474 795 C N 2.133 121.420 119.300 -0.021 0.000 2.441 795 C HA 0.865 5.325 4.460 -0.000 0.000 0.318 795 C C -0.251 174.755 174.990 0.027 0.000 1.222 795 C CA -0.324 58.707 59.018 0.020 0.000 1.474 795 C CB 1.388 29.138 27.740 0.016 0.000 2.125 795 C HN 0.982 nan 8.230 nan 0.000 0.479 796 T N 4.469 119.053 114.554 0.051 0.000 2.840 796 T HA 0.559 4.909 4.350 -0.000 0.000 0.287 796 T C -0.550 174.179 174.700 0.049 0.000 0.991 796 T CA -0.276 61.837 62.100 0.022 0.000 0.964 796 T CB 0.898 69.756 68.868 -0.016 0.000 0.954 796 T HN 0.569 nan 8.240 nan 0.000 0.438 797 M N 4.471 124.087 119.600 0.026 0.000 1.999 797 M HA 0.290 4.770 4.480 -0.000 0.000 0.299 797 M C -2.192 174.114 176.300 0.010 0.000 0.900 797 M CA -2.101 53.235 55.300 0.060 0.000 0.904 797 M CB 2.383 35.018 32.600 0.058 0.000 1.477 797 M HN 0.220 nan 8.290 nan 0.000 0.403 798 P HA -0.033 nan 4.420 nan 0.000 0.229 798 P C 0.138 177.430 177.300 -0.013 0.000 1.160 798 P CA 0.783 63.835 63.100 -0.081 0.000 0.777 798 P CB 0.282 31.843 31.700 -0.231 0.000 0.814 799 S N -1.367 114.361 115.700 0.048 0.000 2.407 799 S HA 0.364 4.834 4.470 -0.000 0.000 0.166 799 S C -0.248 174.396 174.600 0.073 0.000 1.445 799 S CA -0.628 57.606 58.200 0.057 0.000 1.260 799 S CB -1.092 62.154 63.200 0.077 0.000 1.401 799 S HN -0.100 nan 8.310 nan 0.000 0.379 800 I N 2.286 122.898 120.570 0.070 0.000 2.363 800 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 800 I C 0.043 176.227 176.117 0.111 0.000 1.075 800 I CA -0.073 61.292 61.300 0.107 0.000 1.333 800 I CB 0.674 38.731 38.000 0.096 0.000 1.415 800 I HN 0.430 nan 8.210 nan 0.000 0.502 801 E N 7.591 127.885 120.200 0.156 0.000 2.081 801 E HA 0.614 4.964 4.350 -0.000 0.000 0.281 801 E C -0.695 175.949 176.600 0.074 0.000 0.986 801 E CA -0.168 56.298 56.400 0.110 0.000 0.796 801 E CB 1.762 31.532 29.700 0.116 0.000 1.085 801 E HN 0.465 nan 8.360 nan 0.000 0.398 802 I N 1.526 122.085 120.570 -0.017 0.000 3.004 802 I HA 0.700 4.870 4.170 -0.000 0.000 0.305 802 I C -0.923 175.126 176.117 -0.113 0.000 1.312 802 I CA -0.522 60.695 61.300 -0.139 0.000 0.992 802 I CB 2.144 40.066 38.000 -0.129 0.000 1.282 802 I HN 0.586 nan 8.210 nan 0.000 0.449 803 G N 0.676 109.384 108.800 -0.153 0.000 2.660 803 G HA2 0.473 4.433 3.960 -0.000 0.000 0.290 803 G HA3 0.473 4.433 3.960 -0.000 0.000 0.290 803 G C -0.537 174.289 174.900 -0.124 0.000 1.432 803 G CA 0.236 45.267 45.100 -0.115 0.000 0.807 803 G HN 0.613 nan 8.290 nan 0.000 0.485 804 T N -2.875 111.616 114.554 -0.105 0.000 3.170 804 T HA 0.499 4.849 4.350 -0.000 0.000 0.288 804 T C -0.186 174.461 174.700 -0.088 0.000 0.992 804 T CA -0.087 61.956 62.100 -0.094 0.000 0.909 804 T CB 0.315 69.135 68.868 -0.081 0.000 1.133 804 T HN 0.680 nan 8.240 nan 0.000 0.530 805 V N 0.847 120.703 119.914 -0.096 0.000 2.760 805 V HA 0.824 4.943 4.120 -0.000 0.000 0.309 805 V C 0.584 176.630 176.094 -0.080 0.000 1.077 805 V CA 0.096 62.341 62.300 -0.093 0.000 0.910 805 V CB 1.021 32.768 31.823 -0.127 0.000 1.008 805 V HN 0.925 nan 8.190 nan 0.000 0.424 806 G N 2.803 111.565 108.800 -0.062 0.000 2.746 806 G HA2 0.445 4.405 3.960 -0.000 0.000 0.685 806 G HA3 0.445 4.405 3.960 -0.000 0.000 0.685 806 G C 0.503 175.378 174.900 -0.041 0.000 1.350 806 G CA -0.114 44.958 45.100 -0.047 0.000 0.837 806 G HN 2.404 nan 8.290 nan 0.000 0.564 807 G N -0.418 108.366 108.800 -0.027 0.000 2.596 807 G HA2 0.173 4.133 3.960 -0.000 0.000 0.295 807 G HA3 0.173 4.133 3.960 -0.000 0.000 0.295 807 G C 1.921 176.811 174.900 -0.017 0.000 1.240 807 G CA 1.938 47.026 45.100 -0.020 0.000 0.985 807 G HN 2.521 nan 8.290 nan 0.000 0.555 808 G N -1.529 107.262 108.800 -0.016 0.000 2.559 808 G HA2 0.159 4.119 3.960 -0.000 0.000 0.216 808 G HA3 0.159 4.119 3.960 -0.000 0.000 0.216 808 G C 1.597 176.483 174.900 -0.023 0.000 1.126 808 G CA 2.001 47.096 45.100 -0.008 0.000 0.778 808 G HN 1.035 nan 8.290 nan 0.000 0.543 809 T N 0.968 115.498 114.554 -0.040 0.000 3.051 809 T HA -0.042 4.307 4.350 -0.000 0.000 0.269 809 T C 2.040 176.715 174.700 -0.041 0.000 1.127 809 T CA 0.677 62.747 62.100 -0.049 0.000 1.107 809 T CB -0.188 68.640 68.868 -0.067 0.000 0.898 809 T HN 0.226 nan 8.240 nan 0.000 0.517 810 N N 0.780 119.460 118.700 -0.034 0.000 2.412 810 N HA 0.158 4.898 4.740 -0.000 0.000 0.184 810 N C 0.162 175.650 175.510 -0.036 0.000 1.101 810 N CA 0.160 53.191 53.050 -0.033 0.000 0.881 810 N CB 0.078 38.550 38.487 -0.025 0.000 0.969 810 N HN 0.428 nan 8.380 nan 0.000 0.459 811 L N 0.865 122.069 121.223 -0.032 0.000 2.375 811 L HA 0.249 4.588 4.340 -0.000 0.000 0.271 811 L C 1.739 178.578 176.870 -0.053 0.000 1.107 811 L CA -0.469 54.345 54.840 -0.043 0.000 0.806 811 L CB 1.179 43.235 42.059 -0.006 0.000 1.146 811 L HN -0.113 nan 8.230 nan 0.000 0.447 812 L N 1.924 123.097 121.223 -0.083 0.000 2.046 812 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 812 L C -0.435 176.403 176.870 -0.053 0.000 1.077 812 L CA 1.358 56.153 54.840 -0.075 0.000 0.747 812 L CB -1.555 40.443 42.059 -0.102 0.000 0.896 812 L HN 0.586 nan 8.230 nan 0.000 0.432 813 P HA -0.167 nan 4.420 nan 0.000 0.215 813 P C 1.401 178.691 177.300 -0.016 0.000 1.157 813 P CA 1.054 64.140 63.100 -0.024 0.000 0.863 813 P CB -0.081 31.616 31.700 -0.005 0.000 0.787 814 Q N -0.255 119.538 119.800 -0.013 0.000 2.297 814 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 814 Q C 1.893 177.879 176.000 -0.023 0.000 0.962 814 Q CA 1.272 57.067 55.803 -0.015 0.000 0.879 814 Q CB -1.131 27.598 28.738 -0.014 0.000 0.947 814 Q HN 0.453 nan 8.270 nan 0.000 0.462 815 Q N 0.452 120.235 119.800 -0.028 0.000 2.172 815 Q HA 0.044 4.384 4.340 -0.000 0.000 0.200 815 Q C 2.040 178.027 176.000 -0.021 0.000 0.964 815 Q CA 1.152 56.937 55.803 -0.029 0.000 0.855 815 Q CB -0.078 28.640 28.738 -0.034 0.000 0.918 815 Q HN 0.518 nan 8.270 nan 0.000 0.444 816 A N 0.105 122.913 122.820 -0.019 0.000 1.902 816 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 816 A C 2.240 179.821 177.584 -0.004 0.000 1.181 816 A CA 1.187 53.217 52.037 -0.012 0.000 0.623 816 A CB -0.785 18.207 19.000 -0.013 0.000 0.818 816 A HN 0.469 nan 8.150 nan 0.000 0.443 817 C N -0.909 118.388 119.300 -0.005 0.000 2.450 817 C HA 0.053 4.513 4.460 -0.000 0.000 0.279 817 C C 2.595 177.585 174.990 -0.001 0.000 1.335 817 C CA 0.763 59.782 59.018 0.001 0.000 1.749 817 C CB -1.423 26.317 27.740 0.001 0.000 1.963 817 C HN 0.617 nan 8.230 nan 0.000 0.501 818 L N 0.192 121.407 121.223 -0.012 0.000 2.093 818 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 818 L C 2.752 179.622 176.870 0.001 0.000 1.085 818 L CA 1.407 56.237 54.840 -0.017 0.000 0.755 818 L CB -0.639 41.401 42.059 -0.032 0.000 0.904 818 L HN 0.434 nan 8.230 nan 0.000 0.435 819 Q N -0.658 119.144 119.800 0.002 0.000 2.119 819 Q HA -0.198 4.142 4.340 -0.000 0.000 0.201 819 Q C 2.332 178.349 176.000 0.029 0.000 0.972 819 Q CA 1.342 57.152 55.803 0.012 0.000 0.847 819 Q CB -0.112 28.628 28.738 0.003 0.000 0.903 819 Q HN 0.520 nan 8.270 nan 0.000 0.433 820 M N 0.164 119.782 119.600 0.030 0.000 2.106 820 M HA -0.212 4.268 4.480 -0.000 0.000 0.259 820 M C 1.775 178.128 176.300 0.089 0.000 1.068 820 M CA 1.474 56.802 55.300 0.047 0.000 1.100 820 M CB -0.173 32.453 32.600 0.042 0.000 1.351 820 M HN 0.234 nan 8.290 nan 0.000 0.404 821 L N -0.907 120.372 121.223 0.093 0.000 2.554 821 L HA 0.130 4.470 4.340 -0.000 0.000 0.226 821 L C 1.237 178.218 176.870 0.184 0.000 1.137 821 L CA 0.199 55.138 54.840 0.164 0.000 0.863 821 L CB -0.546 41.537 42.059 0.041 0.000 0.985 821 L HN 0.607 nan 8.230 nan 0.000 0.451 822 G N 0.467 109.330 108.800 0.105 0.000 2.198 822 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 822 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 822 G C 0.404 175.342 174.900 0.062 0.000 1.042 822 G CA 0.389 45.540 45.100 0.085 0.000 0.791 822 G HN 0.245 nan 8.290 nan 0.000 0.502 823 V N -0.046 119.886 119.914 0.031 0.000 3.252 823 V HA 0.346 4.466 4.120 -0.000 0.000 0.320 823 V C 0.993 177.076 176.094 -0.019 0.000 1.459 823 V CA 0.524 62.825 62.300 0.001 0.000 1.095 823 V CB 0.690 32.499 31.823 -0.023 0.000 0.997 823 V HN 0.534 nan 8.190 nan 0.000 0.469 824 Q N 1.177 120.969 119.800 -0.014 0.000 2.313 824 Q HA 0.446 4.786 4.340 -0.000 0.000 0.266 824 Q C 0.669 176.650 176.000 -0.032 0.000 0.989 824 Q CA 1.508 57.296 55.803 -0.026 0.000 0.890 824 Q CB 1.084 29.810 28.738 -0.020 0.000 1.200 824 Q HN 0.803 nan 8.270 nan 0.000 0.396 825 G N 2.766 111.538 108.800 -0.046 0.000 2.645 825 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 825 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 825 G C -0.642 174.219 174.900 -0.064 0.000 1.331 825 G CA -0.268 44.799 45.100 -0.054 0.000 0.890 825 G HN 1.025 nan 8.290 nan 0.000 0.572 826 A N -1.227 121.550 122.820 -0.072 0.000 2.371 826 A HA 0.540 4.860 4.320 -0.000 0.000 0.257 826 A C 0.766 178.327 177.584 -0.038 0.000 1.089 826 A CA 0.738 52.724 52.037 -0.085 0.000 0.794 826 A CB 0.814 19.744 19.000 -0.117 0.000 1.029 826 A HN 2.278 nan 8.150 nan 0.000 0.488 827 C N 3.632 122.915 119.300 -0.028 0.000 2.256 827 C HA 0.369 4.829 4.460 -0.000 0.000 0.333 827 C C 1.496 176.503 174.990 0.027 0.000 1.183 827 C CA -0.720 58.300 59.018 0.003 0.000 1.692 827 C CB -1.437 26.308 27.740 0.008 0.000 2.274 827 C HN 1.011 nan 8.230 nan 0.000 0.509 828 K N 2.165 122.585 120.400 0.033 0.000 2.009 828 K HA -0.126 4.194 4.320 -0.000 0.000 0.210 828 K C 1.077 177.715 176.600 0.064 0.000 1.049 828 K CA 1.903 58.223 56.287 0.055 0.000 0.929 828 K CB 0.046 32.571 32.500 0.042 0.000 0.714 828 K HN 0.690 nan 8.250 nan 0.000 0.440 829 D N -0.018 120.410 120.400 0.047 0.000 2.349 829 D HA -0.029 4.610 4.640 -0.000 0.000 0.224 829 D C -0.030 176.299 176.300 0.049 0.000 1.029 829 D CA 0.624 54.651 54.000 0.045 0.000 0.879 829 D CB 0.095 40.915 40.800 0.033 0.000 0.906 829 D HN 0.071 nan 8.370 nan 0.000 0.528 830 N N 0.398 119.131 118.700 0.055 0.000 2.839 830 N HA 0.131 4.871 4.740 -0.000 0.000 0.230 830 N C -2.997 172.550 175.510 0.061 0.000 1.388 830 N CA -1.266 51.817 53.050 0.055 0.000 0.747 830 N CB 1.078 39.589 38.487 0.040 0.000 1.411 830 N HN -0.283 nan 8.380 nan 0.000 0.556 831 P HA 0.158 nan 4.420 nan 0.000 0.258 831 P C 0.862 178.198 177.300 0.061 0.000 1.172 831 P CA 1.194 64.359 63.100 0.108 0.000 0.762 831 P CB 0.409 32.272 31.700 0.271 0.000 0.764 832 G N 3.135 111.937 108.800 0.004 0.000 2.234 832 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.235 832 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.235 832 G C 1.183 176.081 174.900 -0.003 0.000 0.997 832 G CA 0.411 45.509 45.100 -0.003 0.000 0.623 832 G HN 0.512 nan 8.290 nan 0.000 0.514 833 E N 1.158 121.362 120.200 0.006 0.000 2.150 833 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 833 E C 2.223 178.820 176.600 -0.004 0.000 0.985 833 E CA 1.850 58.255 56.400 0.008 0.000 0.814 833 E CB -0.271 29.441 29.700 0.019 0.000 0.752 833 E HN 0.507 nan 8.360 nan 0.000 0.466 834 N N 0.034 118.725 118.700 -0.015 0.000 2.106 834 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 834 N C 1.550 177.034 175.510 -0.042 0.000 1.029 834 N CA 1.586 54.621 53.050 -0.024 0.000 0.848 834 N CB -0.642 37.826 38.487 -0.032 0.000 1.007 834 N HN 0.275 nan 8.380 nan 0.000 0.423 835 A N 1.297 124.087 122.820 -0.049 0.000 1.933 835 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 835 A C 2.228 179.785 177.584 -0.045 0.000 1.175 835 A CA 1.183 53.186 52.037 -0.057 0.000 0.628 835 A CB -0.383 18.583 19.000 -0.055 0.000 0.814 835 A HN 0.231 nan 8.150 nan 0.000 0.444 836 R N -1.247 119.235 120.500 -0.029 0.000 2.092 836 R HA -0.149 4.191 4.340 -0.000 0.000 0.231 836 R C 2.477 178.756 176.300 -0.036 0.000 1.119 836 R CA 1.541 57.628 56.100 -0.022 0.000 0.970 836 R CB -0.225 30.071 30.300 -0.006 0.000 0.864 836 R HN 0.624 nan 8.270 nan 0.000 0.440 837 Q N 1.006 120.781 119.800 -0.041 0.000 2.079 837 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 837 Q C 1.884 177.801 176.000 -0.138 0.000 0.974 837 Q CA 1.306 57.069 55.803 -0.068 0.000 0.840 837 Q CB -0.276 28.442 28.738 -0.032 0.000 0.898 837 Q HN 0.206 nan 8.270 nan 0.000 0.430 838 L N 0.187 121.340 121.223 -0.115 0.000 2.046 838 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 838 L C 2.073 178.883 176.870 -0.100 0.000 1.077 838 L CA 2.259 57.020 54.840 -0.130 0.000 0.747 838 L CB -1.176 40.819 42.059 -0.106 0.000 0.896 838 L HN 0.266 nan 8.230 nan 0.000 0.432 839 A N -0.611 122.171 122.820 -0.064 0.000 1.933 839 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 839 A C 2.412 179.970 177.584 -0.042 0.000 1.175 839 A CA 1.668 53.688 52.037 -0.027 0.000 0.628 839 A CB -0.504 18.491 19.000 -0.009 0.000 0.814 839 A HN 0.497 nan 8.150 nan 0.000 0.444 840 R N -0.614 119.844 120.500 -0.070 0.000 2.081 840 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 840 R C 1.948 178.178 176.300 -0.116 0.000 1.131 840 R CA 1.575 57.631 56.100 -0.073 0.000 0.960 840 R CB -0.448 29.811 30.300 -0.067 0.000 0.856 840 R HN 0.571 nan 8.270 nan 0.000 0.436 841 I N 0.091 120.534 120.570 -0.211 0.000 2.252 841 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 841 I C 2.192 178.232 176.117 -0.128 0.000 1.102 841 I CA 1.019 62.154 61.300 -0.275 0.000 1.385 841 I CB -0.171 37.563 38.000 -0.443 0.000 1.064 841 I HN -0.017 nan 8.210 nan 0.000 0.414 842 V N 0.008 119.878 119.914 -0.074 0.000 2.295 842 V HA -0.359 3.761 4.120 -0.000 0.000 0.246 842 V C 2.579 178.662 176.094 -0.019 0.000 1.049 842 V CA 1.991 64.284 62.300 -0.012 0.000 1.024 842 V CB -0.512 31.350 31.823 0.065 0.000 0.648 842 V HN 0.636 nan 8.190 nan 0.000 0.447 843 C N 0.715 120.003 119.300 -0.019 0.000 2.432 843 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 843 C C 2.979 177.959 174.990 -0.016 0.000 1.249 843 C CA 0.967 59.978 59.018 -0.012 0.000 1.725 843 C CB -1.503 26.233 27.740 -0.008 0.000 2.028 843 C HN 0.650 nan 8.230 nan 0.000 0.477 844 G N -0.523 108.262 108.800 -0.024 0.000 2.418 844 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 844 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 844 G C 1.757 176.652 174.900 -0.008 0.000 1.158 844 G CA 1.638 46.731 45.100 -0.011 0.000 0.771 844 G HN 0.550 nan 8.290 nan 0.000 0.545 845 T N 0.722 115.265 114.554 -0.019 0.000 2.821 845 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 845 T C 2.495 177.180 174.700 -0.026 0.000 1.046 845 T CA 0.975 63.066 62.100 -0.015 0.000 1.139 845 T CB -0.172 68.683 68.868 -0.022 0.000 0.871 845 T HN 0.052 nan 8.240 nan 0.000 0.454 846 V N 1.714 121.608 119.914 -0.034 0.000 2.343 846 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 846 V C 2.445 178.531 176.094 -0.013 0.000 1.051 846 V CA 1.795 64.068 62.300 -0.045 0.000 1.036 846 V CB -0.548 31.254 31.823 -0.035 0.000 0.654 846 V HN 0.492 nan 8.190 nan 0.000 0.451 847 M N -0.257 119.340 119.600 -0.005 0.000 2.159 847 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 847 M C 2.112 178.417 176.300 0.009 0.000 1.063 847 M CA 2.154 57.454 55.300 -0.001 0.000 1.110 847 M CB -0.257 32.332 32.600 -0.017 0.000 1.374 847 M HN 0.352 nan 8.290 nan 0.000 0.411 848 A N 0.053 122.880 122.820 0.011 0.000 1.877 848 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 848 A C 2.275 179.887 177.584 0.046 0.000 1.186 848 A CA 1.788 53.839 52.037 0.023 0.000 0.620 848 A CB -1.659 17.355 19.000 0.024 0.000 0.822 848 A HN 0.621 nan 8.150 nan 0.000 0.443 849 G N -0.495 108.333 108.800 0.047 0.000 2.418 849 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 849 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 849 G C 1.393 176.441 174.900 0.246 0.000 1.158 849 G CA 0.984 46.157 45.100 0.122 0.000 0.771 849 G HN 0.494 nan 8.290 nan 0.000 0.545 850 E N 0.073 120.365 120.200 0.153 0.000 2.077 850 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 850 E C 2.550 179.190 176.600 0.066 0.000 0.989 850 E CA 0.388 56.868 56.400 0.132 0.000 0.800 850 E CB -0.390 29.358 29.700 0.080 0.000 0.746 850 E HN 0.289 nan 8.360 nan 0.000 0.452 851 L N 1.112 122.364 121.223 0.048 0.000 1.989 851 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 851 L C 2.541 179.428 176.870 0.028 0.000 1.071 851 L CA 1.747 56.602 54.840 0.025 0.000 0.749 851 L CB -1.215 40.855 42.059 0.018 0.000 0.890 851 L HN 0.034 nan 8.230 nan 0.000 0.431 852 S N -1.304 114.424 115.700 0.047 0.000 2.355 852 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 852 S C 1.974 176.583 174.600 0.014 0.000 1.031 852 S CA 1.330 59.555 58.200 0.041 0.000 0.993 852 S CB -0.374 62.861 63.200 0.058 0.000 0.859 852 S HN 0.344 nan 8.310 nan 0.000 0.453 853 L N 1.654 122.868 121.223 -0.016 0.000 2.056 853 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 853 L C 2.236 179.054 176.870 -0.086 0.000 1.078 853 L CA 1.875 56.639 54.840 -0.127 0.000 0.749 853 L CB -0.681 41.127 42.059 -0.417 0.000 0.901 853 L HN 0.292 nan 8.230 nan 0.000 0.433 854 M N -0.519 119.049 119.600 -0.053 0.000 2.159 854 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 854 M C 2.417 178.699 176.300 -0.031 0.000 1.063 854 M CA 1.714 56.992 55.300 -0.038 0.000 1.110 854 M CB -1.646 30.945 32.600 -0.015 0.000 1.374 854 M HN 0.462 nan 8.290 nan 0.000 0.411 855 A N 0.322 123.133 122.820 -0.016 0.000 1.902 855 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 855 A C 2.452 180.020 177.584 -0.027 0.000 1.181 855 A CA 2.145 54.174 52.037 -0.013 0.000 0.623 855 A CB -0.893 18.115 19.000 0.014 0.000 0.818 855 A HN 0.478 nan 8.150 nan 0.000 0.443 856 A N -0.340 122.479 122.820 -0.002 0.000 1.902 856 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 856 A C 2.168 179.724 177.584 -0.047 0.000 1.181 856 A CA 1.466 53.515 52.037 0.019 0.000 0.623 856 A CB -0.583 18.446 19.000 0.049 0.000 0.818 856 A HN 0.469 nan 8.150 nan 0.000 0.443 857 L N -0.859 120.331 121.223 -0.055 0.000 2.093 857 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 857 L C 3.047 179.870 176.870 -0.078 0.000 1.085 857 L CA 0.996 55.799 54.840 -0.062 0.000 0.755 857 L CB -0.481 41.542 42.059 -0.060 0.000 0.904 857 L HN 0.435 nan 8.230 nan 0.000 0.435 858 A N -0.176 122.596 122.820 -0.080 0.000 1.969 858 A HA -0.037 4.282 4.320 -0.000 0.000 0.218 858 A C 2.273 179.777 177.584 -0.133 0.000 1.169 858 A CA 1.551 53.538 52.037 -0.083 0.000 0.635 858 A CB -0.448 18.516 19.000 -0.061 0.000 0.810 858 A HN 0.385 nan 8.150 nan 0.000 0.445 859 A N -1.822 120.863 122.820 -0.226 0.000 2.308 859 A HA 0.446 4.766 4.320 -0.000 0.000 0.217 859 A C 1.581 178.877 177.584 -0.479 0.000 1.216 859 A CA 1.000 52.788 52.037 -0.413 0.000 0.864 859 A CB -0.787 17.811 19.000 -0.671 0.000 0.902 859 A HN 1.840 nan 8.150 nan 0.000 0.499 860 G N -0.758 107.889 108.800 -0.255 0.000 2.198 860 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 860 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 860 G C 0.231 175.134 174.900 0.005 0.000 1.042 860 G CA 0.738 45.770 45.100 -0.114 0.000 0.791 860 G HN 0.807 nan 8.290 nan 0.000 0.502 861 H N -1.649 117.410 119.070 -0.018 0.000 2.652 861 H HA 0.270 4.826 4.556 0.000 0.000 0.274 861 H C 2.400 177.715 175.328 -0.022 0.000 1.021 861 H CA 0.004 56.042 56.048 -0.017 0.000 1.187 861 H CB 0.512 30.265 29.762 -0.015 0.000 1.505 861 H HN 0.298 nan 8.280 nan 0.000 0.530 862 L N 1.712 122.983 121.223 0.080 0.000 1.971 862 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 862 L C 2.215 179.096 176.870 0.019 0.000 1.072 862 L CA 1.874 56.730 54.840 0.027 0.000 0.758 862 L CB -0.510 41.543 42.059 -0.009 0.000 0.889 862 L HN 0.281 nan 8.230 nan 0.000 0.433 863 V N -3.223 116.702 119.914 0.018 0.000 3.592 863 V HA 0.148 4.267 4.120 -0.000 0.000 0.272 863 V C 0.789 176.889 176.094 0.010 0.000 1.228 863 V CA 0.312 62.618 62.300 0.009 0.000 1.173 863 V CB -1.329 30.497 31.823 0.005 0.000 0.873 863 V HN 0.644 nan 8.190 nan 0.000 0.476 864 K N 0.000 120.410 120.400 0.017 0.000 2.780 864 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 864 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 864 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543