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 3k7d_1_A DATA FIRST_RESID 449 DATA SEQUENCE SEQWRELWQD ALQEDDTTPV LAHLSEDDRK QVLTLIADFR KELDKRTIGP DATA SEQUENCE RGRQVLDHLM PHLLSDVCAR EDAAVTLSRI TALLVGIVTR TTYLELLSEF DATA SEQUENCE PAALKHLISL CAASPMIASQ LARYPLLLDE LLDPNTLYQP TATDAYRDEL DATA SEQUENCE RQYLLRVPED DEEQQLEALR QFKQAQLLRI AAADIAGTLP VMKVSDHLTW DATA SEQUENCE LAEAMIDAVV QQAWVQMVAR YGKPNHLNER EGRGFAVVGY GKLGGWELGY DATA SEQUENCE SSDLDLIFLH DCPMDAMTDG EREIDGRQFY LRLAQRIMHL FSTRTSSGIL DATA SEQUENCE YEVDARLRPS GAAGMLVTSA EAFADYQKNE AWTWEHQALV RARVVYGDPQ DATA SEQUENCE LTAHFDAVRR EIMTLPREGK TLQTEVREMR EKMRAHLGNK HRDRFDIKAD DATA SEQUENCE EGGITDIEFI TQYLVLRYAH EKPKLTRWSD NVRILELLAQ NDIMEEQEAM DATA SEQUENCE ALTRAYTTLR DELHHLALQE LPGHVSEDCF TAERELVRAS WQKWLVE 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 449 S HA 0.000 nan 4.470 nan 0.000 0.327 449 S C 0.000 174.670 174.600 0.117 0.000 1.055 449 S CA 0.000 58.314 58.200 0.190 0.000 1.107 449 S CB 0.000 63.266 63.200 0.110 0.000 0.593 450 E N 1.564 121.793 120.200 0.048 0.000 2.114 450 E HA -0.272 4.080 4.350 0.004 0.000 0.199 450 E C 1.820 178.417 176.600 -0.006 0.000 1.008 450 E CA 1.654 58.066 56.400 0.020 0.000 0.810 450 E CB -0.312 29.390 29.700 0.003 0.000 0.739 450 E HN 0.774 nan 8.360 nan 0.000 0.456 451 Q N -0.483 119.270 119.800 -0.079 0.000 2.224 451 Q HA -0.124 4.218 4.340 0.004 0.000 0.203 451 Q C 1.698 177.562 176.000 -0.227 0.000 0.970 451 Q CA 1.056 56.742 55.803 -0.195 0.000 0.865 451 Q CB -0.086 28.459 28.738 -0.322 0.000 0.922 451 Q HN 0.441 nan 8.270 nan 0.000 0.445 452 W N 0.538 121.835 121.300 -0.005 0.000 2.418 452 W HA -0.044 4.619 4.660 0.004 0.000 0.292 452 W C 2.250 178.779 176.519 0.016 0.000 1.213 452 W CA 0.282 57.623 57.345 -0.007 0.000 1.283 452 W CB 0.051 29.477 29.460 -0.055 0.000 1.119 452 W HN 0.028 nan 8.180 nan 0.000 0.542 453 R N 0.504 121.120 120.500 0.194 0.000 2.083 453 R HA -0.184 4.159 4.340 0.004 0.000 0.237 453 R C 1.838 178.234 176.300 0.160 0.000 1.137 453 R CA 1.851 58.043 56.100 0.154 0.000 0.951 453 R CB -0.550 29.800 30.300 0.083 0.000 0.851 453 R HN 0.287 nan 8.270 nan 0.000 0.434 454 E N 0.429 120.679 120.200 0.084 0.000 2.153 454 E HA -0.184 4.169 4.350 0.004 0.000 0.194 454 E C 1.877 178.518 176.600 0.067 0.000 0.988 454 E CA 0.662 57.089 56.400 0.044 0.000 0.811 454 E CB -0.018 29.677 29.700 -0.009 0.000 0.746 454 E HN 0.102 nan 8.360 nan 0.000 0.466 455 L N 0.423 121.711 121.223 0.108 0.000 2.083 455 L HA -0.155 4.188 4.340 0.004 0.000 0.209 455 L C 1.914 178.939 176.870 0.259 0.000 1.083 455 L CA 1.653 56.581 54.840 0.148 0.000 0.752 455 L CB -0.379 41.793 42.059 0.188 0.000 0.899 455 L HN 0.340 nan 8.230 nan 0.000 0.433 456 W N -0.147 121.207 121.300 0.089 0.000 2.407 456 W HA -0.192 4.471 4.660 0.004 0.000 0.305 456 W C 2.209 178.763 176.519 0.058 0.000 1.196 456 W CA 1.259 58.657 57.345 0.087 0.000 1.311 456 W CB 0.007 29.522 29.460 0.090 0.000 1.135 456 W HN 0.258 nan 8.180 nan 0.000 0.514 457 Q N 0.092 119.862 119.800 -0.051 0.000 2.016 457 Q HA -0.181 4.161 4.340 0.004 0.000 0.200 457 Q C 1.120 177.008 176.000 -0.186 0.000 0.978 457 Q CA 1.593 57.276 55.803 -0.201 0.000 0.833 457 Q CB -0.420 28.282 28.738 -0.059 0.000 0.895 457 Q HN 0.129 nan 8.270 nan 0.000 0.427 458 D N 0.473 120.820 120.400 -0.089 0.000 2.344 458 D HA 0.094 4.736 4.640 0.004 0.000 0.242 458 D C 1.088 177.345 176.300 -0.072 0.000 1.159 458 D CA 0.358 54.312 54.000 -0.077 0.000 0.859 458 D CB -0.028 40.746 40.800 -0.043 0.000 0.925 458 D HN 0.215 nan 8.370 nan 0.000 0.510 459 A N 0.807 123.560 122.820 -0.112 0.000 1.903 459 A HA -0.223 4.099 4.320 0.004 0.000 0.219 459 A C 2.170 179.726 177.584 -0.046 0.000 1.191 459 A CA 1.125 53.127 52.037 -0.058 0.000 0.638 459 A CB -0.705 18.214 19.000 -0.136 0.000 0.823 459 A HN 0.348 nan 8.150 nan 0.000 0.451 460 L N -0.983 120.187 121.223 -0.087 0.000 2.201 460 L HA -0.221 4.122 4.340 0.004 0.000 0.212 460 L C 2.687 179.534 176.870 -0.038 0.000 1.105 460 L CA 1.292 56.096 54.840 -0.060 0.000 0.775 460 L CB -0.684 41.327 42.059 -0.079 0.000 0.913 460 L HN 0.517 nan 8.230 nan 0.000 0.440 461 Q N 0.380 120.156 119.800 -0.040 0.000 2.291 461 Q HA -0.124 4.218 4.340 0.004 0.000 0.205 461 Q C -0.065 175.925 176.000 -0.017 0.000 0.970 461 Q CA 0.301 56.087 55.803 -0.029 0.000 0.876 461 Q CB -0.038 28.680 28.738 -0.032 0.000 0.935 461 Q HN 0.414 nan 8.270 nan 0.000 0.455 462 E N 1.809 122.004 120.200 -0.008 0.000 2.228 462 E HA -0.189 4.163 4.350 0.004 0.000 0.213 462 E C -0.716 175.882 176.600 -0.004 0.000 1.282 462 E CA 0.110 56.512 56.400 0.004 0.000 0.707 462 E CB -1.027 28.677 29.700 0.007 0.000 1.150 462 E HN 0.297 nan 8.360 nan 0.000 0.362 463 D N 0.653 121.048 120.400 -0.010 0.000 2.382 463 D HA -0.023 4.619 4.640 0.004 0.000 0.259 463 D C 0.817 177.106 176.300 -0.019 0.000 1.224 463 D CA 0.144 54.134 54.000 -0.017 0.000 0.894 463 D CB 0.836 41.621 40.800 -0.025 0.000 1.127 463 D HN 0.080 nan 8.370 nan 0.000 0.487 464 D N 1.770 122.159 120.400 -0.018 0.000 2.218 464 D HA -0.144 4.498 4.640 0.004 0.000 0.204 464 D C 1.510 177.793 176.300 -0.028 0.000 0.976 464 D CA 1.257 55.245 54.000 -0.020 0.000 0.853 464 D CB 0.285 41.075 40.800 -0.018 0.000 0.939 464 D HN 0.516 nan 8.370 nan 0.000 0.481 465 T N -3.249 111.286 114.554 -0.031 0.000 3.163 465 T HA 0.093 4.445 4.350 0.004 0.000 0.252 465 T C 0.832 175.503 174.700 -0.049 0.000 1.056 465 T CA -0.335 61.744 62.100 -0.035 0.000 0.947 465 T CB -0.117 68.733 68.868 -0.030 0.000 1.016 465 T HN -0.159 nan 8.240 nan 0.000 0.554 466 T N 3.387 117.905 114.554 -0.060 0.000 2.853 466 T HA 0.209 4.561 4.350 0.004 0.000 0.298 466 T C -1.444 173.194 174.700 -0.102 0.000 0.978 466 T CA -1.368 60.676 62.100 -0.093 0.000 1.152 466 T CB 0.783 69.585 68.868 -0.111 0.000 0.914 466 T HN 0.041 nan 8.240 nan 0.000 0.539 467 P HA -0.104 nan 4.420 nan 0.000 0.218 467 P C 1.594 178.836 177.300 -0.097 0.000 1.148 467 P CA 0.854 63.900 63.100 -0.091 0.000 0.822 467 P CB -0.205 31.436 31.700 -0.098 0.000 0.784 468 V N -3.433 116.343 119.914 -0.230 0.000 2.867 468 V HA -0.120 4.003 4.120 0.004 0.000 0.260 468 V C 1.631 177.731 176.094 0.010 0.000 1.099 468 V CA 1.648 63.772 62.300 -0.293 0.000 1.122 468 V CB -1.434 29.751 31.823 -1.063 0.000 0.708 468 V HN 0.056 nan 8.190 nan 0.000 0.490 469 L N 0.120 121.332 121.223 -0.019 0.000 2.667 469 L HA 0.469 4.812 4.340 0.004 0.000 0.232 469 L C 2.532 179.350 176.870 -0.088 0.000 1.138 469 L CA 0.488 55.319 54.840 -0.016 0.000 0.921 469 L CB -0.298 41.736 42.059 -0.042 0.000 1.180 469 L HN 0.316 nan 8.230 nan 0.000 0.487 470 A N 0.349 123.177 122.820 0.015 0.000 2.070 470 A HA -0.222 4.101 4.320 0.004 0.000 0.220 470 A C 1.954 179.543 177.584 0.008 0.000 1.159 470 A CA 1.664 53.703 52.037 0.002 0.000 0.656 470 A CB -0.782 18.233 19.000 0.024 0.000 0.800 470 A HN 0.720 nan 8.150 nan 0.000 0.453 471 H N -1.526 117.554 119.070 0.017 0.000 2.495 471 H HA 0.337 4.895 4.556 0.004 0.000 0.287 471 H C 0.577 175.919 175.328 0.023 0.000 1.033 471 H CA 0.283 56.345 56.048 0.024 0.000 1.307 471 H CB -0.473 29.312 29.762 0.037 0.000 1.401 471 H HN 0.381 nan 8.280 nan 0.000 0.555 472 L N 1.592 122.552 121.223 -0.439 0.000 2.439 472 L HA 0.210 4.552 4.340 0.004 0.000 0.259 472 L C 0.682 177.481 176.870 -0.119 0.000 1.129 472 L CA -0.879 53.798 54.840 -0.272 0.000 0.803 472 L CB 1.057 42.921 42.059 -0.326 0.000 1.161 472 L HN 0.356 nan 8.230 nan 0.000 0.462 473 S N -0.226 115.432 115.700 -0.070 0.000 2.584 473 S HA 0.073 4.545 4.470 0.004 0.000 0.270 473 S C 0.890 175.465 174.600 -0.042 0.000 1.346 473 S CA -0.704 57.472 58.200 -0.040 0.000 1.018 473 S CB 0.901 64.088 63.200 -0.022 0.000 0.899 473 S HN 0.648 nan 8.310 nan 0.000 0.542 474 E N 1.516 121.699 120.200 -0.029 0.000 2.068 474 E HA -0.255 4.098 4.350 0.004 0.000 0.207 474 E C 1.310 177.897 176.600 -0.021 0.000 1.032 474 E CA 1.947 58.333 56.400 -0.024 0.000 0.839 474 E CB -0.582 29.108 29.700 -0.016 0.000 0.758 474 E HN 0.732 nan 8.360 nan 0.000 0.457 475 D N 0.831 121.222 120.400 -0.016 0.000 2.117 475 D HA -0.126 4.516 4.640 0.004 0.000 0.197 475 D C 1.654 177.947 176.300 -0.012 0.000 0.987 475 D CA 1.062 55.056 54.000 -0.011 0.000 0.829 475 D CB -0.387 40.408 40.800 -0.007 0.000 0.961 475 D HN 0.116 nan 8.370 nan 0.000 0.460 476 D N -0.048 120.340 120.400 -0.020 0.000 2.117 476 D HA -0.102 4.541 4.640 0.004 0.000 0.198 476 D C 2.045 178.328 176.300 -0.028 0.000 0.982 476 D CA 0.571 54.557 54.000 -0.023 0.000 0.828 476 D CB -0.116 40.665 40.800 -0.033 0.000 0.967 476 D HN 0.162 nan 8.370 nan 0.000 0.464 477 R N 1.035 121.509 120.500 -0.044 0.000 2.073 477 R HA -0.108 4.234 4.340 0.004 0.000 0.234 477 R C 2.100 178.393 176.300 -0.012 0.000 1.134 477 R CA 1.294 57.370 56.100 -0.040 0.000 0.952 477 R CB -0.005 30.262 30.300 -0.055 0.000 0.850 477 R HN -0.020 nan 8.270 nan 0.000 0.433 478 K N 0.168 120.561 120.400 -0.010 0.000 2.059 478 K HA -0.306 4.016 4.320 0.004 0.000 0.212 478 K C 2.201 178.807 176.600 0.010 0.000 1.050 478 K CA 2.278 58.565 56.287 0.000 0.000 0.927 478 K CB -0.099 32.400 32.500 -0.002 0.000 0.714 478 K HN 0.188 nan 8.250 nan 0.000 0.447 479 Q N 0.494 120.300 119.800 0.009 0.000 2.046 479 Q HA -0.105 4.237 4.340 0.004 0.000 0.200 479 Q C 1.888 177.906 176.000 0.030 0.000 0.975 479 Q CA 1.708 57.522 55.803 0.018 0.000 0.836 479 Q CB -0.223 28.523 28.738 0.013 0.000 0.896 479 Q HN 0.150 nan 8.270 nan 0.000 0.428 480 V N 0.628 120.559 119.914 0.029 0.000 2.324 480 V HA -0.293 3.829 4.120 0.004 0.000 0.250 480 V C 2.335 178.470 176.094 0.068 0.000 1.060 480 V CA 1.955 64.284 62.300 0.049 0.000 1.042 480 V CB -0.553 31.300 31.823 0.050 0.000 0.650 480 V HN 0.410 nan 8.190 nan 0.000 0.450 481 L N -0.823 120.432 121.223 0.054 0.000 2.056 481 L HA -0.144 4.198 4.340 0.004 0.000 0.207 481 L C 2.619 179.530 176.870 0.068 0.000 1.078 481 L CA 1.853 56.730 54.840 0.062 0.000 0.749 481 L CB -0.840 41.241 42.059 0.036 0.000 0.901 481 L HN 0.337 nan 8.230 nan 0.000 0.433 482 T N 0.321 114.907 114.554 0.054 0.000 2.720 482 T HA -0.201 4.152 4.350 0.004 0.000 0.268 482 T C 1.952 176.701 174.700 0.082 0.000 1.037 482 T CA 1.337 63.471 62.100 0.056 0.000 1.144 482 T CB -0.275 68.617 68.868 0.040 0.000 0.864 482 T HN 0.169 nan 8.240 nan 0.000 0.444 483 L N 0.072 121.347 121.223 0.086 0.000 2.017 483 L HA -0.073 4.270 4.340 0.004 0.000 0.208 483 L C 2.442 179.415 176.870 0.172 0.000 1.073 483 L CA 1.291 56.194 54.840 0.105 0.000 0.745 483 L CB -0.521 41.582 42.059 0.073 0.000 0.894 483 L HN 0.270 nan 8.230 nan 0.000 0.432 484 I N -0.447 120.234 120.570 0.186 0.000 2.179 484 I HA -0.300 3.873 4.170 0.004 0.000 0.242 484 I C 2.796 179.086 176.117 0.290 0.000 1.088 484 I CA 1.212 62.688 61.300 0.293 0.000 1.357 484 I CB -0.503 37.664 38.000 0.277 0.000 1.051 484 I HN 0.208 nan 8.210 nan 0.000 0.409 485 A N 0.510 123.429 122.820 0.165 0.000 1.883 485 A HA -0.279 4.043 4.320 0.004 0.000 0.217 485 A C 1.984 179.633 177.584 0.108 0.000 1.186 485 A CA 2.324 54.419 52.037 0.096 0.000 0.624 485 A CB -0.716 18.315 19.000 0.052 0.000 0.822 485 A HN 0.356 nan 8.150 nan 0.000 0.444 486 D N -1.378 119.103 120.400 0.134 0.000 2.117 486 D HA -0.120 4.523 4.640 0.004 0.000 0.197 486 D C 1.593 178.003 176.300 0.184 0.000 0.987 486 D CA 1.158 55.234 54.000 0.127 0.000 0.829 486 D CB -0.396 40.477 40.800 0.122 0.000 0.961 486 D HN 0.435 nan 8.370 nan 0.000 0.460 487 F N 1.631 121.650 119.950 0.116 0.000 2.075 487 F HA -0.084 4.445 4.527 0.004 0.000 0.297 487 F C 2.389 178.305 175.800 0.194 0.000 1.113 487 F CA 1.322 59.415 58.000 0.155 0.000 1.218 487 F CB -0.231 38.885 39.000 0.193 0.000 0.984 487 F HN -0.220 nan 8.300 nan 0.000 0.472 488 R N 0.499 121.084 120.500 0.141 0.000 2.105 488 R HA -0.187 4.155 4.340 0.004 0.000 0.239 488 R C 2.220 178.435 176.300 -0.142 0.000 1.135 488 R CA 1.748 57.804 56.100 -0.075 0.000 0.967 488 R CB -0.194 29.960 30.300 -0.243 0.000 0.861 488 R HN 0.269 nan 8.270 nan 0.000 0.442 489 K N -0.072 120.283 120.400 -0.076 0.000 2.147 489 K HA -0.116 4.206 4.320 0.004 0.000 0.205 489 K C 1.967 178.519 176.600 -0.080 0.000 1.049 489 K CA 1.172 57.418 56.287 -0.067 0.000 0.936 489 K CB 0.066 32.550 32.500 -0.027 0.000 0.722 489 K HN 0.180 nan 8.250 nan 0.000 0.446 490 E N 0.973 121.111 120.200 -0.102 0.000 2.077 490 E HA -0.161 4.192 4.350 0.004 0.000 0.193 490 E C 2.070 178.586 176.600 -0.140 0.000 0.989 490 E CA 0.932 57.269 56.400 -0.105 0.000 0.800 490 E CB -0.156 29.489 29.700 -0.093 0.000 0.746 490 E HN 0.314 nan 8.360 nan 0.000 0.452 491 L N 0.770 121.857 121.223 -0.227 0.000 2.013 491 L HA -0.250 4.092 4.340 0.004 0.000 0.212 491 L C 1.999 178.815 176.870 -0.089 0.000 1.073 491 L CA 1.727 56.470 54.840 -0.162 0.000 0.753 491 L CB -0.668 41.299 42.059 -0.154 0.000 0.890 491 L HN 0.038 nan 8.230 nan 0.000 0.432 492 D N -0.442 119.905 120.400 -0.088 0.000 2.178 492 D HA -0.171 4.471 4.640 0.004 0.000 0.202 492 D C 2.254 178.526 176.300 -0.047 0.000 0.974 492 D CA 0.888 54.851 54.000 -0.062 0.000 0.841 492 D CB 0.043 40.803 40.800 -0.066 0.000 0.953 492 D HN 0.220 nan 8.370 nan 0.000 0.478 493 K N 0.633 121.004 120.400 -0.049 0.000 2.098 493 K HA 0.027 4.350 4.320 0.004 0.000 0.203 493 K C 1.592 178.175 176.600 -0.028 0.000 1.051 493 K CA 0.481 56.748 56.287 -0.033 0.000 0.957 493 K CB 0.227 32.710 32.500 -0.029 0.000 0.738 493 K HN -0.033 nan 8.250 nan 0.000 0.447 494 R N 1.071 121.550 120.500 -0.034 0.000 2.323 494 R HA -0.034 4.308 4.340 0.004 0.000 0.198 494 R C -0.024 176.263 176.300 -0.021 0.000 0.988 494 R CA 0.485 56.570 56.100 -0.024 0.000 1.041 494 R CB -0.338 29.947 30.300 -0.025 0.000 0.926 494 R HN 0.260 nan 8.270 nan 0.000 0.476 495 T N 1.904 116.444 114.554 -0.024 0.000 3.398 495 T HA -0.175 4.177 4.350 0.004 0.000 0.408 495 T C 0.299 174.993 174.700 -0.011 0.000 0.769 495 T CA 0.265 62.355 62.100 -0.017 0.000 2.018 495 T CB -1.704 67.156 68.868 -0.014 0.000 1.703 495 T HN 0.407 nan 8.240 nan 0.000 0.639 496 I N -0.062 120.502 120.570 -0.010 0.000 2.720 496 I HA 0.722 4.895 4.170 0.004 0.000 0.287 496 I C 1.177 177.298 176.117 0.008 0.000 1.090 496 I CA -0.230 61.070 61.300 0.000 0.000 1.384 496 I CB 0.736 38.740 38.000 0.006 0.000 1.420 496 I HN 0.246 nan 8.210 nan 0.000 0.575 497 G N 3.329 112.136 108.800 0.013 0.000 2.588 497 G HA2 0.405 4.367 3.960 0.004 0.000 0.278 497 G HA3 0.405 4.367 3.960 0.004 0.000 0.278 497 G C -1.653 173.262 174.900 0.025 0.000 1.307 497 G CA -0.829 44.280 45.100 0.016 0.000 1.016 497 G HN 0.641 nan 8.290 nan 0.000 0.503 498 P HA -0.089 nan 4.420 nan 0.000 0.216 498 P C 1.679 179.002 177.300 0.038 0.000 1.153 498 P CA 0.735 63.853 63.100 0.030 0.000 0.844 498 P CB 0.198 31.912 31.700 0.023 0.000 0.787 499 R N 0.703 121.223 120.500 0.034 0.000 2.070 499 R HA -0.065 4.278 4.340 0.004 0.000 0.233 499 R C 2.577 178.906 176.300 0.049 0.000 1.137 499 R CA 2.267 58.389 56.100 0.037 0.000 0.945 499 R CB -1.829 28.489 30.300 0.030 0.000 0.845 499 R HN 0.161 nan 8.270 nan 0.000 0.430 500 G N 0.523 109.353 108.800 0.050 0.000 2.513 500 G HA2 -0.319 3.643 3.960 0.004 0.000 0.219 500 G HA3 -0.319 3.643 3.960 0.004 0.000 0.219 500 G C 1.372 176.324 174.900 0.086 0.000 1.160 500 G CA 1.153 46.291 45.100 0.064 0.000 0.767 500 G HN 0.379 nan 8.290 nan 0.000 0.571 501 R N -0.193 120.357 120.500 0.082 0.000 2.115 501 R HA -0.009 4.333 4.340 0.004 0.000 0.230 501 R C 2.591 178.973 176.300 0.137 0.000 1.111 501 R CA 1.068 57.236 56.100 0.112 0.000 0.976 501 R CB -0.406 29.944 30.300 0.083 0.000 0.870 501 R HN 0.459 nan 8.270 nan 0.000 0.445 502 Q N 0.928 120.792 119.800 0.106 0.000 2.016 502 Q HA -0.123 4.219 4.340 0.004 0.000 0.200 502 Q C 2.177 178.256 176.000 0.131 0.000 0.978 502 Q CA 1.628 57.497 55.803 0.110 0.000 0.833 502 Q CB 0.115 28.897 28.738 0.073 0.000 0.895 502 Q HN 0.170 nan 8.270 nan 0.000 0.427 503 V N 1.410 121.385 119.914 0.102 0.000 2.332 503 V HA -0.297 3.826 4.120 0.004 0.000 0.248 503 V C 2.468 178.646 176.094 0.140 0.000 1.055 503 V CA 1.543 63.904 62.300 0.102 0.000 1.038 503 V CB -0.581 31.281 31.823 0.065 0.000 0.651 503 V HN 0.358 nan 8.190 nan 0.000 0.450 504 L N -0.201 121.104 121.223 0.137 0.000 2.012 504 L HA -0.219 4.124 4.340 0.004 0.000 0.210 504 L C 2.369 179.294 176.870 0.091 0.000 1.073 504 L CA 1.752 56.662 54.840 0.116 0.000 0.748 504 L CB -0.712 41.461 42.059 0.190 0.000 0.891 504 L HN 0.330 nan 8.230 nan 0.000 0.431 505 D N -1.554 119.004 120.400 0.264 0.000 2.218 505 D HA -0.223 4.420 4.640 0.004 0.000 0.204 505 D C 1.926 178.340 176.300 0.190 0.000 0.976 505 D CA 1.245 55.459 54.000 0.357 0.000 0.853 505 D CB -0.074 40.941 40.800 0.357 0.000 0.939 505 D HN 0.475 nan 8.370 nan 0.000 0.481 506 H N -0.411 118.715 119.070 0.093 0.000 2.372 506 H HA 0.019 4.577 4.556 0.004 0.000 0.301 506 H C 1.914 177.294 175.328 0.087 0.000 1.065 506 H CA 0.851 56.955 56.048 0.093 0.000 1.364 506 H CB -0.045 29.771 29.762 0.090 0.000 1.406 506 H HN 0.064 nan 8.280 nan 0.000 0.521 507 L N -0.394 120.928 121.223 0.165 0.000 2.179 507 L HA -0.014 4.329 4.340 0.004 0.000 0.208 507 L C 1.696 178.501 176.870 -0.109 0.000 1.096 507 L CA 1.170 56.075 54.840 0.107 0.000 0.779 507 L CB -0.354 41.761 42.059 0.094 0.000 0.922 507 L HN 0.315 nan 8.230 nan 0.000 0.443 508 M N -0.034 119.371 119.600 -0.325 0.000 2.156 508 M HA -0.003 4.479 4.480 0.004 0.000 0.264 508 M C -0.053 176.032 176.300 -0.359 0.000 1.067 508 M CA 1.377 56.337 55.300 -0.566 0.000 1.131 508 M CB -2.242 29.480 32.600 -1.463 0.000 1.368 508 M HN 0.117 nan 8.290 nan 0.000 0.416 509 P HA -0.141 nan 4.420 nan 0.000 0.216 509 P C 1.195 178.331 177.300 -0.274 0.000 1.153 509 P CA 1.586 64.595 63.100 -0.152 0.000 0.858 509 P CB -0.227 31.351 31.700 -0.204 0.000 0.789 510 H N -1.679 117.261 119.070 -0.217 0.000 2.363 510 H HA -0.025 4.533 4.556 0.004 0.000 0.301 510 H C 2.023 177.184 175.328 -0.278 0.000 1.074 510 H CA 0.915 56.814 56.048 -0.249 0.000 1.354 510 H CB -0.705 28.934 29.762 -0.205 0.000 1.397 510 H HN 0.003 nan 8.280 nan 0.000 0.516 511 L N 0.301 121.449 121.223 -0.125 0.000 2.017 511 L HA -0.156 4.186 4.340 0.004 0.000 0.208 511 L C 1.747 178.487 176.870 -0.217 0.000 1.073 511 L CA 1.208 55.950 54.840 -0.163 0.000 0.745 511 L CB -0.199 41.759 42.059 -0.169 0.000 0.894 511 L HN 0.266 nan 8.230 nan 0.000 0.432 512 L N -0.306 120.790 121.223 -0.211 0.000 2.131 512 L HA -0.184 4.159 4.340 0.004 0.000 0.210 512 L C 2.844 179.422 176.870 -0.485 0.000 1.092 512 L CA 1.340 56.088 54.840 -0.153 0.000 0.759 512 L CB -0.677 41.426 42.059 0.074 0.000 0.903 512 L HN 0.509 nan 8.230 nan 0.000 0.435 513 S N -1.257 113.895 115.700 -0.913 0.000 2.402 513 S HA -0.214 4.258 4.470 0.004 0.000 0.229 513 S C 1.752 175.790 174.600 -0.936 0.000 1.021 513 S CA 1.216 58.279 58.200 -1.895 0.000 0.974 513 S CB -0.206 61.881 63.200 -1.855 0.000 0.800 513 S HN 0.480 nan 8.310 nan 0.000 0.484 514 D N 1.382 121.480 120.400 -0.503 0.000 2.110 514 D HA -0.050 4.593 4.640 0.004 0.000 0.202 514 D C 2.057 178.237 176.300 -0.200 0.000 0.975 514 D CA 1.373 55.201 54.000 -0.286 0.000 0.839 514 D CB -0.339 40.343 40.800 -0.197 0.000 0.996 514 D HN 0.323 nan 8.370 nan 0.000 0.464 515 V N 0.740 120.552 119.914 -0.169 0.000 2.261 515 V HA -0.247 3.875 4.120 0.004 0.000 0.246 515 V C 2.895 178.985 176.094 -0.006 0.000 1.047 515 V CA 1.649 63.902 62.300 -0.078 0.000 1.015 515 V CB -0.633 31.149 31.823 -0.068 0.000 0.642 515 V HN 0.360 nan 8.190 nan 0.000 0.446 516 C N 0.352 119.666 119.300 0.024 0.000 2.481 516 C HA 0.235 4.698 4.460 0.004 0.000 0.275 516 C C 2.844 178.051 174.990 0.361 0.000 1.419 516 C CA 0.211 59.361 59.018 0.220 0.000 1.773 516 C CB -1.355 26.617 27.740 0.386 0.000 1.862 516 C HN 0.603 nan 8.230 nan 0.000 0.530 517 A N 0.507 123.432 122.820 0.175 0.000 2.119 517 A HA 0.045 4.368 4.320 0.004 0.000 0.216 517 A C 1.110 178.672 177.584 -0.038 0.000 1.152 517 A CA 0.277 52.336 52.037 0.037 0.000 0.708 517 A CB -0.197 18.791 19.000 -0.020 0.000 0.805 517 A HN 0.676 nan 8.150 nan 0.000 0.460 518 R N 0.301 120.838 120.500 0.061 0.000 2.594 518 R HA 0.191 4.534 4.340 0.004 0.000 0.272 518 R C 0.474 176.869 176.300 0.157 0.000 1.074 518 R CA 0.001 56.136 56.100 0.058 0.000 1.105 518 R CB 0.419 30.739 30.300 0.033 0.000 1.008 518 R HN 0.460 nan 8.270 nan 0.000 0.472 519 E N 1.248 121.518 120.200 0.118 0.000 2.118 519 E HA -0.213 4.139 4.350 0.004 0.000 0.195 519 E C 0.418 177.079 176.600 0.102 0.000 0.992 519 E CA 1.612 58.098 56.400 0.144 0.000 0.804 519 E CB -0.019 29.734 29.700 0.089 0.000 0.741 519 E HN 0.632 nan 8.360 nan 0.000 0.458 520 D N 0.013 120.455 120.400 0.070 0.000 2.519 520 D HA 0.141 4.784 4.640 0.004 0.000 0.238 520 D C 1.165 177.493 176.300 0.046 0.000 1.192 520 D CA 0.414 54.442 54.000 0.046 0.000 0.835 520 D CB 0.106 40.924 40.800 0.030 0.000 0.975 520 D HN 0.106 nan 8.370 nan 0.000 0.490 521 A N 1.070 123.935 122.820 0.074 0.000 1.896 521 A HA -0.159 4.164 4.320 0.004 0.000 0.220 521 A C 2.387 179.996 177.584 0.041 0.000 1.206 521 A CA 2.462 54.544 52.037 0.074 0.000 0.647 521 A CB -1.068 18.004 19.000 0.121 0.000 0.828 521 A HN 0.468 nan 8.150 nan 0.000 0.455 522 A N -1.074 121.764 122.820 0.029 0.000 1.873 522 A HA 0.047 4.369 4.320 0.004 0.000 0.215 522 A C 2.277 179.869 177.584 0.013 0.000 1.186 522 A CA 1.799 53.848 52.037 0.019 0.000 0.616 522 A CB -1.012 17.995 19.000 0.012 0.000 0.823 522 A HN 0.452 nan 8.150 nan 0.000 0.442 523 V N -0.124 119.796 119.914 0.010 0.000 2.295 523 V HA -0.236 3.886 4.120 0.004 0.000 0.246 523 V C 2.778 178.871 176.094 -0.002 0.000 1.049 523 V CA 2.529 64.831 62.300 0.003 0.000 1.024 523 V CB -1.296 30.529 31.823 0.003 0.000 0.648 523 V HN 0.617 nan 8.190 nan 0.000 0.447 524 T N 0.470 115.024 114.554 0.001 0.000 2.684 524 T HA -0.210 4.143 4.350 0.004 0.000 0.267 524 T C 1.885 176.572 174.700 -0.022 0.000 1.036 524 T CA 1.871 63.965 62.100 -0.009 0.000 1.148 524 T CB -0.385 68.481 68.868 -0.004 0.000 0.863 524 T HN 0.284 nan 8.240 nan 0.000 0.436 525 L N 1.022 122.236 121.223 -0.015 0.000 2.131 525 L HA 0.039 4.381 4.340 0.004 0.000 0.210 525 L C 2.574 179.421 176.870 -0.038 0.000 1.092 525 L CA 1.536 56.358 54.840 -0.030 0.000 0.759 525 L CB -0.894 41.164 42.059 -0.003 0.000 0.903 525 L HN 0.166 nan 8.230 nan 0.000 0.435 526 S N -0.815 114.875 115.700 -0.017 0.000 2.382 526 S HA -0.171 4.301 4.470 0.004 0.000 0.228 526 S C 2.157 176.741 174.600 -0.026 0.000 1.027 526 S CA 1.281 59.474 58.200 -0.012 0.000 0.991 526 S CB -0.144 63.056 63.200 -0.001 0.000 0.823 526 S HN 0.530 nan 8.310 nan 0.000 0.469 527 R N 0.342 120.824 120.500 -0.030 0.000 2.093 527 R HA 0.167 4.509 4.340 0.004 0.000 0.224 527 R C 2.195 178.463 176.300 -0.053 0.000 1.101 527 R CA 1.254 57.333 56.100 -0.035 0.000 0.979 527 R CB -0.210 30.071 30.300 -0.031 0.000 0.877 527 R HN 0.406 nan 8.270 nan 0.000 0.441 528 I N 0.812 121.339 120.570 -0.073 0.000 2.286 528 I HA -0.196 3.976 4.170 0.004 0.000 0.245 528 I C 2.387 178.404 176.117 -0.168 0.000 1.104 528 I CA 1.749 62.984 61.300 -0.110 0.000 1.397 528 I CB -1.178 36.748 38.000 -0.125 0.000 1.072 528 I HN 0.318 nan 8.210 nan 0.000 0.417 529 T N -0.619 113.824 114.554 -0.185 0.000 2.951 529 T HA 0.052 4.404 4.350 0.004 0.000 0.268 529 T C 2.047 176.691 174.700 -0.094 0.000 1.073 529 T CA 0.876 62.814 62.100 -0.271 0.000 1.134 529 T CB -0.274 68.461 68.868 -0.221 0.000 0.884 529 T HN 0.267 nan 8.240 nan 0.000 0.479 530 A N 1.557 124.353 122.820 -0.040 0.000 1.902 530 A HA 0.152 4.474 4.320 0.004 0.000 0.217 530 A C 2.329 179.910 177.584 -0.005 0.000 1.181 530 A CA 1.445 53.482 52.037 -0.001 0.000 0.623 530 A CB -0.921 18.075 19.000 -0.008 0.000 0.818 530 A HN 0.559 nan 8.150 nan 0.000 0.443 531 L N -0.429 120.775 121.223 -0.031 0.000 1.994 531 L HA -0.142 4.201 4.340 0.004 0.000 0.208 531 L C 2.413 179.285 176.870 0.002 0.000 1.071 531 L CA 1.597 56.426 54.840 -0.018 0.000 0.745 531 L CB -0.281 41.761 42.059 -0.030 0.000 0.892 531 L HN 0.414 nan 8.230 nan 0.000 0.431 532 L N -1.079 120.117 121.223 -0.044 0.000 2.079 532 L HA -0.227 4.115 4.340 0.004 0.000 0.210 532 L C 2.462 179.445 176.870 0.188 0.000 1.081 532 L CA 0.927 55.771 54.840 0.006 0.000 0.752 532 L CB -0.614 41.287 42.059 -0.263 0.000 0.896 532 L HN 0.148 nan 8.230 nan 0.000 0.433 533 V N 0.154 120.195 119.914 0.212 0.000 2.594 533 V HA -0.183 3.940 4.120 0.004 0.000 0.253 533 V C 2.478 178.651 176.094 0.131 0.000 1.069 533 V CA 1.878 64.340 62.300 0.269 0.000 1.082 533 V CB -0.865 31.092 31.823 0.224 0.000 0.680 533 V HN 0.582 nan 8.190 nan 0.000 0.469 534 G N 0.481 109.328 108.800 0.078 0.000 2.484 534 G HA2 -0.113 3.849 3.960 0.004 0.000 0.218 534 G HA3 -0.113 3.849 3.960 0.004 0.000 0.218 534 G C 1.261 176.170 174.900 0.015 0.000 1.130 534 G CA 1.050 46.168 45.100 0.031 0.000 0.784 534 G HN 0.721 nan 8.290 nan 0.000 0.543 535 I N -2.756 117.839 120.570 0.041 0.000 4.154 535 I HA 0.418 4.591 4.170 0.004 0.000 0.334 535 I C 1.625 177.757 176.117 0.025 0.000 1.371 535 I CA -0.225 61.076 61.300 0.001 0.000 1.110 535 I CB 0.833 38.864 38.000 0.051 0.000 1.085 535 I HN -0.164 nan 8.210 nan 0.000 0.398 536 V N 1.116 121.079 119.914 0.081 0.000 3.026 536 V HA -0.185 3.938 4.120 0.004 0.000 0.265 536 V C 2.122 178.238 176.094 0.037 0.000 1.121 536 V CA 2.526 64.887 62.300 0.101 0.000 1.142 536 V CB -0.585 31.319 31.823 0.135 0.000 0.730 536 V HN 0.667 nan 8.190 nan 0.000 0.503 537 T N -0.182 114.370 114.554 -0.003 0.000 3.067 537 T HA 0.112 4.464 4.350 0.004 0.000 0.257 537 T C 0.892 175.558 174.700 -0.056 0.000 1.105 537 T CA 0.158 62.242 62.100 -0.027 0.000 1.104 537 T CB -0.095 68.751 68.868 -0.036 0.000 0.925 537 T HN 0.420 nan 8.240 nan 0.000 0.498 538 R N 1.979 122.417 120.500 -0.104 0.000 2.369 538 R HA 0.290 4.632 4.340 0.004 0.000 0.310 538 R C 0.950 177.237 176.300 -0.021 0.000 1.141 538 R CA -0.150 55.852 56.100 -0.163 0.000 1.116 538 R CB 0.483 30.457 30.300 -0.543 0.000 1.135 538 R HN 0.090 nan 8.270 nan 0.000 0.529 539 T N 0.897 115.465 114.554 0.024 0.000 2.665 539 T HA -0.229 4.124 4.350 0.004 0.000 0.268 539 T C 2.120 176.890 174.700 0.117 0.000 1.035 539 T CA 2.525 64.665 62.100 0.066 0.000 1.151 539 T CB -0.131 68.766 68.868 0.049 0.000 0.862 539 T HN 0.679 nan 8.240 nan 0.000 0.438 540 T N 0.273 114.918 114.554 0.153 0.000 2.737 540 T HA -0.222 4.131 4.350 0.004 0.000 0.269 540 T C 1.693 176.572 174.700 0.298 0.000 1.040 540 T CA 1.381 63.609 62.100 0.213 0.000 1.142 540 T CB -0.799 68.213 68.868 0.241 0.000 0.861 540 T HN 0.364 nan 8.240 nan 0.000 0.456 541 Y N 1.729 122.058 120.300 0.048 0.000 2.263 541 Y HA 0.250 4.803 4.550 0.004 0.000 0.292 541 Y C 2.390 178.322 175.900 0.052 0.000 1.130 541 Y CA -0.361 57.769 58.100 0.051 0.000 1.179 541 Y CB -0.778 37.710 38.460 0.046 0.000 0.998 541 Y HN 0.214 nan 8.280 nan 0.000 0.532 542 L N -0.524 120.830 121.223 0.220 0.000 2.027 542 L HA -0.180 4.163 4.340 0.004 0.000 0.206 542 L C 2.288 179.217 176.870 0.099 0.000 1.074 542 L CA 1.423 56.344 54.840 0.135 0.000 0.745 542 L CB -0.582 41.545 42.059 0.114 0.000 0.898 542 L HN 0.133 nan 8.230 nan 0.000 0.433 543 E N 0.280 120.536 120.200 0.093 0.000 2.118 543 E HA -0.224 4.129 4.350 0.004 0.000 0.195 543 E C 2.337 178.963 176.600 0.043 0.000 0.992 543 E CA 1.142 57.569 56.400 0.045 0.000 0.804 543 E CB -0.100 29.626 29.700 0.044 0.000 0.741 543 E HN 0.441 nan 8.360 nan 0.000 0.458 544 L N 0.120 121.402 121.223 0.099 0.000 2.056 544 L HA -0.189 4.154 4.340 0.004 0.000 0.207 544 L C 2.320 179.296 176.870 0.176 0.000 1.078 544 L CA 0.341 55.280 54.840 0.166 0.000 0.749 544 L CB -0.317 41.816 42.059 0.123 0.000 0.901 544 L HN 0.192 nan 8.230 nan 0.000 0.433 545 L N -0.349 120.939 121.223 0.109 0.000 2.081 545 L HA -0.228 4.114 4.340 0.004 0.000 0.212 545 L C 2.619 179.525 176.870 0.059 0.000 1.080 545 L CA 1.687 56.578 54.840 0.084 0.000 0.754 545 L CB -0.857 41.240 42.059 0.063 0.000 0.893 545 L HN 0.161 nan 8.230 nan 0.000 0.433 546 S N -1.363 114.353 115.700 0.028 0.000 2.388 546 S HA -0.042 4.430 4.470 0.004 0.000 0.223 546 S C 1.652 176.179 174.600 -0.121 0.000 1.034 546 S CA 0.404 58.595 58.200 -0.015 0.000 0.963 546 S CB -0.031 63.140 63.200 -0.049 0.000 0.827 546 S HN 0.390 nan 8.310 nan 0.000 0.481 547 E N 0.342 120.418 120.200 -0.208 0.000 2.418 547 E HA 0.078 4.430 4.350 0.004 0.000 0.197 547 E C -0.694 175.483 176.600 -0.705 0.000 1.026 547 E CA 0.550 56.654 56.400 -0.493 0.000 0.862 547 E CB -0.005 29.302 29.700 -0.655 0.000 0.799 547 E HN 0.449 nan 8.360 nan 0.000 0.518 548 F N 0.053 119.980 119.950 -0.037 0.000 2.691 548 F HA 0.286 4.816 4.527 0.004 0.000 0.371 548 F C -1.784 173.995 175.800 -0.036 0.000 1.159 548 F CA -2.424 55.557 58.000 -0.032 0.000 1.174 548 F CB 1.821 40.807 39.000 -0.023 0.000 1.419 548 F HN -0.175 nan 8.300 nan 0.000 0.514 549 P HA -0.109 nan 4.420 nan 0.000 0.225 549 P C 1.405 178.714 177.300 0.016 0.000 1.148 549 P CA 1.037 64.140 63.100 0.005 0.000 0.779 549 P CB 0.378 32.047 31.700 -0.052 0.000 0.780 550 A N 0.133 122.996 122.820 0.071 0.000 1.898 550 A HA 0.093 4.416 4.320 0.004 0.000 0.214 550 A C 2.284 179.924 177.584 0.095 0.000 1.183 550 A CA 1.476 53.545 52.037 0.053 0.000 0.622 550 A CB -1.386 17.676 19.000 0.103 0.000 0.824 550 A HN 0.175 nan 8.150 nan 0.000 0.444 551 A N -0.291 122.600 122.820 0.119 0.000 1.933 551 A HA -0.014 4.308 4.320 0.004 0.000 0.218 551 A C 2.099 179.725 177.584 0.070 0.000 1.175 551 A CA 1.665 53.760 52.037 0.097 0.000 0.628 551 A CB -0.575 18.448 19.000 0.039 0.000 0.814 551 A HN 0.684 nan 8.150 nan 0.000 0.444 552 L N 0.226 121.476 121.223 0.045 0.000 2.046 552 L HA -0.137 4.206 4.340 0.004 0.000 0.208 552 L C 2.281 179.133 176.870 -0.030 0.000 1.077 552 L CA 2.685 57.528 54.840 0.005 0.000 0.747 552 L CB -0.562 41.492 42.059 -0.009 0.000 0.896 552 L HN 0.465 nan 8.230 nan 0.000 0.432 553 K N -1.692 118.665 120.400 -0.071 0.000 2.063 553 K HA -0.233 4.090 4.320 0.004 0.000 0.208 553 K C 2.103 178.605 176.600 -0.163 0.000 1.048 553 K CA 1.658 57.854 56.287 -0.153 0.000 0.928 553 K CB -0.271 32.088 32.500 -0.234 0.000 0.713 553 K HN 0.528 nan 8.250 nan 0.000 0.442 554 H N 0.756 119.838 119.070 0.019 0.000 2.436 554 H HA -0.083 4.476 4.556 0.004 0.000 0.294 554 H C 2.112 177.449 175.328 0.015 0.000 1.048 554 H CA 1.021 57.096 56.048 0.045 0.000 1.353 554 H CB -0.094 29.698 29.762 0.051 0.000 1.414 554 H HN 0.228 nan 8.280 nan 0.000 0.536 555 L N 0.987 122.268 121.223 0.097 0.000 2.013 555 L HA -0.194 4.148 4.340 0.004 0.000 0.212 555 L C 2.127 179.006 176.870 0.015 0.000 1.073 555 L CA 1.686 56.547 54.840 0.036 0.000 0.753 555 L CB -0.641 41.425 42.059 0.011 0.000 0.890 555 L HN 0.161 nan 8.230 nan 0.000 0.432 556 I N -0.456 120.110 120.570 -0.007 0.000 2.233 556 I HA -0.278 3.894 4.170 0.004 0.000 0.243 556 I C 2.866 178.979 176.117 -0.007 0.000 1.093 556 I CA 1.276 62.560 61.300 -0.025 0.000 1.380 556 I CB -0.383 37.585 38.000 -0.054 0.000 1.067 556 I HN 0.340 nan 8.210 nan 0.000 0.413 557 S N 1.382 117.086 115.700 0.006 0.000 2.368 557 S HA -0.239 4.234 4.470 0.004 0.000 0.226 557 S C 2.117 176.752 174.600 0.059 0.000 1.044 557 S CA 1.763 59.984 58.200 0.035 0.000 1.062 557 S CB -0.554 62.684 63.200 0.065 0.000 0.931 557 S HN 0.356 nan 8.310 nan 0.000 0.440 558 L N 0.493 121.767 121.223 0.085 0.000 2.046 558 L HA -0.123 4.220 4.340 0.004 0.000 0.208 558 L C 2.928 179.809 176.870 0.019 0.000 1.077 558 L CA 1.381 56.260 54.840 0.064 0.000 0.747 558 L CB -0.802 41.289 42.059 0.054 0.000 0.896 558 L HN 0.478 nan 8.230 nan 0.000 0.432 559 C N -0.372 118.931 119.300 0.006 0.000 2.435 559 C HA -0.084 4.378 4.460 0.004 0.000 0.279 559 C C 3.121 178.104 174.990 -0.012 0.000 1.321 559 C CA 0.583 59.593 59.018 -0.012 0.000 1.752 559 C CB -1.001 26.727 27.740 -0.021 0.000 1.959 559 C HN 0.605 nan 8.230 nan 0.000 0.500 560 A N 0.335 123.152 122.820 -0.004 0.000 1.933 560 A HA 0.101 4.423 4.320 0.004 0.000 0.218 560 A C 2.285 179.871 177.584 0.003 0.000 1.175 560 A CA 1.937 53.973 52.037 -0.001 0.000 0.628 560 A CB -0.636 18.365 19.000 0.001 0.000 0.814 560 A HN 0.569 nan 8.150 nan 0.000 0.444 561 A N -1.766 121.059 122.820 0.008 0.000 2.072 561 A HA 0.375 4.697 4.320 0.004 0.000 0.216 561 A C 1.130 178.710 177.584 -0.007 0.000 1.156 561 A CA 1.243 53.287 52.037 0.012 0.000 0.701 561 A CB -0.168 18.849 19.000 0.029 0.000 0.816 561 A HN 0.907 nan 8.150 nan 0.000 0.458 562 S N -1.040 114.646 115.700 -0.023 0.000 2.545 562 S HA 0.404 4.877 4.470 0.004 0.000 0.259 562 S C -2.573 171.993 174.600 -0.057 0.000 1.092 562 S CA -0.689 57.478 58.200 -0.054 0.000 1.054 562 S CB 1.557 64.716 63.200 -0.069 0.000 1.146 562 S HN 0.014 nan 8.310 nan 0.000 0.447 563 P HA -0.100 nan 4.420 nan 0.000 0.220 563 P C 1.639 178.901 177.300 -0.065 0.000 1.148 563 P CA 0.661 63.728 63.100 -0.055 0.000 0.803 563 P CB 0.021 31.690 31.700 -0.051 0.000 0.782 564 M N -0.480 119.066 119.600 -0.091 0.000 2.065 564 M HA -0.149 4.333 4.480 0.004 0.000 0.259 564 M C 2.135 178.379 176.300 -0.093 0.000 1.069 564 M CA 1.957 57.193 55.300 -0.107 0.000 1.110 564 M CB -0.533 31.960 32.600 -0.178 0.000 1.328 564 M HN -0.196 nan 8.290 nan 0.000 0.405 565 I N 0.263 120.774 120.570 -0.100 0.000 2.179 565 I HA -0.258 3.915 4.170 0.004 0.000 0.242 565 I C 2.657 178.750 176.117 -0.040 0.000 1.088 565 I CA 1.209 62.466 61.300 -0.071 0.000 1.357 565 I CB -0.681 37.278 38.000 -0.069 0.000 1.051 565 I HN 0.378 nan 8.210 nan 0.000 0.409 566 A N 0.131 122.927 122.820 -0.040 0.000 1.873 566 A HA -0.260 4.063 4.320 0.004 0.000 0.218 566 A C 2.492 180.058 177.584 -0.030 0.000 1.193 566 A CA 2.515 54.533 52.037 -0.031 0.000 0.629 566 A CB -0.960 18.020 19.000 -0.033 0.000 0.826 566 A HN 0.392 nan 8.150 nan 0.000 0.447 567 S N -0.959 114.720 115.700 -0.036 0.000 2.370 567 S HA -0.225 4.247 4.470 0.004 0.000 0.226 567 S C 2.165 176.742 174.600 -0.040 0.000 1.033 567 S CA 1.533 59.709 58.200 -0.041 0.000 1.011 567 S CB -0.310 62.865 63.200 -0.041 0.000 0.852 567 S HN 0.726 nan 8.310 nan 0.000 0.457 568 Q N 0.576 120.375 119.800 -0.002 0.000 2.046 568 Q HA -0.040 4.302 4.340 0.004 0.000 0.200 568 Q C 2.032 178.089 176.000 0.095 0.000 0.975 568 Q CA 1.135 56.987 55.803 0.082 0.000 0.836 568 Q CB -0.179 28.624 28.738 0.107 0.000 0.896 568 Q HN 0.480 nan 8.270 nan 0.000 0.428 569 L N 0.221 121.472 121.223 0.047 0.000 2.201 569 L HA -0.081 4.261 4.340 0.004 0.000 0.212 569 L C 2.485 179.374 176.870 0.032 0.000 1.105 569 L CA 0.727 55.597 54.840 0.051 0.000 0.775 569 L CB -0.435 41.636 42.059 0.019 0.000 0.913 569 L HN 0.269 nan 8.230 nan 0.000 0.440 570 A N 0.004 122.818 122.820 -0.010 0.000 1.929 570 A HA -0.182 4.141 4.320 0.004 0.000 0.216 570 A C 2.426 179.961 177.584 -0.082 0.000 1.176 570 A CA 1.307 53.327 52.037 -0.028 0.000 0.628 570 A CB -0.362 18.615 19.000 -0.038 0.000 0.816 570 A HN 0.280 nan 8.150 nan 0.000 0.444 571 R N -2.009 118.375 120.500 -0.192 0.000 2.075 571 R HA -0.037 4.306 4.340 0.004 0.000 0.226 571 R C -0.354 175.665 176.300 -0.467 0.000 1.114 571 R CA 0.980 56.816 56.100 -0.439 0.000 0.972 571 R CB -0.046 29.790 30.300 -0.773 0.000 0.869 571 R HN 0.540 nan 8.270 nan 0.000 0.437 572 Y N 0.098 120.417 120.300 0.032 0.000 2.747 572 Y HA 0.315 4.868 4.550 0.004 0.000 0.362 572 Y C -1.852 174.092 175.900 0.074 0.000 1.026 572 Y CA -2.825 55.303 58.100 0.047 0.000 1.135 572 Y CB 1.262 39.735 38.460 0.021 0.000 1.175 572 Y HN 0.112 nan 8.280 nan 0.000 0.643 573 P HA -0.187 nan 4.420 nan 0.000 0.222 573 P C 1.207 178.626 177.300 0.198 0.000 1.147 573 P CA 1.058 64.320 63.100 0.270 0.000 0.790 573 P CB 0.184 32.155 31.700 0.452 0.000 0.780 574 L N -3.652 117.703 121.223 0.221 0.000 2.549 574 L HA -0.024 4.318 4.340 0.004 0.000 0.230 574 L C 2.135 179.001 176.870 -0.006 0.000 1.162 574 L CA 1.402 56.279 54.840 0.063 0.000 0.834 574 L CB -1.839 40.306 42.059 0.142 0.000 0.947 574 L HN -0.183 nan 8.230 nan 0.000 0.452 575 L N -0.474 120.763 121.223 0.024 0.000 2.465 575 L HA -0.050 4.293 4.340 0.004 0.000 0.224 575 L C 2.243 179.071 176.870 -0.071 0.000 1.145 575 L CA 0.435 55.260 54.840 -0.026 0.000 0.834 575 L CB -0.428 41.627 42.059 -0.006 0.000 0.944 575 L HN 0.400 nan 8.230 nan 0.000 0.451 576 L N -0.443 120.725 121.223 -0.092 0.000 2.265 576 L HA -0.234 4.109 4.340 0.004 0.000 0.215 576 L C 2.095 178.880 176.870 -0.141 0.000 1.117 576 L CA 0.801 55.572 54.840 -0.115 0.000 0.782 576 L CB -0.593 41.381 42.059 -0.141 0.000 0.914 576 L HN 0.282 nan 8.230 nan 0.000 0.441 577 D N 0.546 120.859 120.400 -0.146 0.000 2.157 577 D HA -0.246 4.397 4.640 0.004 0.000 0.191 577 D C 2.056 178.272 176.300 -0.140 0.000 1.004 577 D CA 1.437 55.356 54.000 -0.134 0.000 0.854 577 D CB 0.143 40.892 40.800 -0.084 0.000 0.936 577 D HN 0.218 nan 8.370 nan 0.000 0.446 578 E N -0.223 119.896 120.200 -0.135 0.000 2.153 578 E HA -0.117 4.236 4.350 0.004 0.000 0.194 578 E C 2.298 178.782 176.600 -0.194 0.000 0.988 578 E CA 0.403 56.705 56.400 -0.164 0.000 0.811 578 E CB -0.310 29.284 29.700 -0.177 0.000 0.746 578 E HN 0.476 nan 8.360 nan 0.000 0.466 579 L N 0.321 121.444 121.223 -0.166 0.000 2.552 579 L HA -0.000 4.342 4.340 0.004 0.000 0.227 579 L C 1.938 178.730 176.870 -0.131 0.000 1.146 579 L CA 0.157 54.909 54.840 -0.147 0.000 0.858 579 L CB -0.234 41.784 42.059 -0.068 0.000 0.969 579 L HN 0.018 nan 8.230 nan 0.000 0.451 580 L N -0.699 120.413 121.223 -0.185 0.000 2.591 580 L HA 0.101 4.444 4.340 0.004 0.000 0.228 580 L C -0.022 176.733 176.870 -0.191 0.000 1.133 580 L CA 0.280 54.972 54.840 -0.246 0.000 0.880 580 L CB -0.060 41.755 42.059 -0.407 0.000 1.033 580 L HN 0.114 nan 8.230 nan 0.000 0.450 581 D N -0.953 119.348 120.400 -0.164 0.000 2.411 581 D HA 0.194 4.836 4.640 0.004 0.000 0.239 581 D C -2.031 174.174 176.300 -0.158 0.000 1.307 581 D CA -1.514 52.407 54.000 -0.132 0.000 0.930 581 D CB 1.488 42.216 40.800 -0.119 0.000 1.395 581 D HN -0.254 nan 8.370 nan 0.000 0.536 582 P HA -0.076 nan 4.420 nan 0.000 0.221 582 P C 1.041 178.335 177.300 -0.010 0.000 1.145 582 P CA 0.694 63.719 63.100 -0.126 0.000 0.795 582 P CB 0.368 32.073 31.700 0.008 0.000 0.775 583 N N -1.309 117.376 118.700 -0.025 0.000 2.270 583 N HA -0.079 4.664 4.740 0.004 0.000 0.181 583 N C 1.659 177.147 175.510 -0.036 0.000 1.016 583 N CA 1.952 54.997 53.050 -0.009 0.000 0.870 583 N CB -0.721 37.758 38.487 -0.013 0.000 0.979 583 N HN 0.313 nan 8.380 nan 0.000 0.431 584 T N -1.801 112.701 114.554 -0.086 0.000 3.040 584 T HA 0.095 4.447 4.350 0.004 0.000 0.252 584 T C 1.867 176.460 174.700 -0.178 0.000 1.064 584 T CA -0.127 61.907 62.100 -0.110 0.000 1.110 584 T CB -0.260 68.544 68.868 -0.106 0.000 0.921 584 T HN -0.049 nan 8.240 nan 0.000 0.480 585 L N 0.460 121.516 121.223 -0.278 0.000 2.079 585 L HA 0.078 4.420 4.340 0.004 0.000 0.210 585 L C 1.405 177.932 176.870 -0.572 0.000 1.081 585 L CA 1.717 56.252 54.840 -0.509 0.000 0.752 585 L CB -0.783 40.799 42.059 -0.796 0.000 0.896 585 L HN 0.378 nan 8.230 nan 0.000 0.433 586 Y N -1.635 118.587 120.300 -0.131 0.000 2.445 586 Y HA 0.325 4.877 4.550 0.004 0.000 0.247 586 Y C 0.485 176.333 175.900 -0.086 0.000 1.129 586 Y CA -0.615 57.424 58.100 -0.103 0.000 1.251 586 Y CB 0.165 38.568 38.460 -0.095 0.000 1.176 586 Y HN 0.161 nan 8.280 nan 0.000 0.522 587 Q N 2.481 122.293 119.800 0.019 0.000 2.462 587 Q HA 0.307 4.650 4.340 0.004 0.000 0.247 587 Q C -2.678 173.283 176.000 -0.065 0.000 1.044 587 Q CA -1.916 53.878 55.803 -0.014 0.000 0.803 587 Q CB 1.447 30.178 28.738 -0.010 0.000 1.190 587 Q HN 0.094 nan 8.270 nan 0.000 0.507 588 P HA 0.049 nan 4.420 nan 0.000 0.273 588 P C -0.206 177.035 177.300 -0.098 0.000 1.250 588 P CA -0.259 62.767 63.100 -0.123 0.000 0.793 588 P CB 0.488 32.049 31.700 -0.232 0.000 1.011 589 T N 0.483 114.946 114.554 -0.151 0.000 2.888 589 T HA 0.335 4.687 4.350 0.004 0.000 0.301 589 T C 0.504 175.100 174.700 -0.174 0.000 1.001 589 T CA 0.004 61.923 62.100 -0.301 0.000 1.147 589 T CB -0.097 68.351 68.868 -0.700 0.000 0.931 589 T HN 0.548 nan 8.240 nan 0.000 0.541 590 A N 3.408 126.149 122.820 -0.132 0.000 2.598 590 A HA 0.128 4.451 4.320 0.004 0.000 0.239 590 A C 1.911 179.402 177.584 -0.155 0.000 1.032 590 A CA 0.363 52.350 52.037 -0.083 0.000 0.760 590 A CB -0.237 18.701 19.000 -0.104 0.000 0.946 590 A HN 1.073 nan 8.150 nan 0.000 0.512 591 T N -0.402 114.050 114.554 -0.169 0.000 2.822 591 T HA -0.193 4.159 4.350 0.004 0.000 0.270 591 T C 0.765 175.132 174.700 -0.556 0.000 1.064 591 T CA 1.677 63.542 62.100 -0.391 0.000 1.131 591 T CB -0.338 68.047 68.868 -0.804 0.000 0.858 591 T HN 0.800 nan 8.240 nan 0.000 0.483 592 D N 0.545 120.693 120.400 -0.419 0.000 2.388 592 D HA 0.412 5.055 4.640 0.004 0.000 0.221 592 D C 1.090 177.307 176.300 -0.138 0.000 1.133 592 D CA 0.133 53.927 54.000 -0.344 0.000 0.831 592 D CB -0.023 40.597 40.800 -0.299 0.000 0.962 592 D HN 0.570 nan 8.370 nan 0.000 0.502 593 A N -0.710 122.043 122.820 -0.111 0.000 2.585 593 A HA 0.208 4.531 4.320 0.004 0.000 0.266 593 A C 0.797 178.361 177.584 -0.033 0.000 1.178 593 A CA -0.415 51.576 52.037 -0.077 0.000 0.966 593 A CB -0.313 18.620 19.000 -0.113 0.000 1.170 593 A HN 0.072 nan 8.150 nan 0.000 0.558 594 Y N 0.881 121.233 120.300 0.088 0.000 2.207 594 Y HA -0.229 4.324 4.550 0.005 0.000 0.287 594 Y C 2.537 178.530 175.900 0.155 0.000 1.156 594 Y CA 2.230 60.453 58.100 0.207 0.000 1.182 594 Y CB -0.169 38.445 38.460 0.256 0.000 0.979 594 Y HN 0.300 nan 8.280 nan 0.000 0.521 595 R N -0.218 120.424 120.500 0.237 0.000 2.075 595 R HA -0.132 4.211 4.340 0.004 0.000 0.232 595 R C 1.717 178.048 176.300 0.051 0.000 1.126 595 R CA 1.527 57.704 56.100 0.128 0.000 0.963 595 R CB -0.285 30.090 30.300 0.126 0.000 0.858 595 R HN 0.267 nan 8.270 nan 0.000 0.435 596 D N 0.542 120.971 120.400 0.049 0.000 2.117 596 D HA -0.141 4.502 4.640 0.004 0.000 0.197 596 D C 1.807 178.119 176.300 0.021 0.000 0.987 596 D CA 1.060 55.074 54.000 0.023 0.000 0.829 596 D CB -0.085 40.723 40.800 0.013 0.000 0.961 596 D HN 0.198 nan 8.370 nan 0.000 0.460 597 E N 0.223 120.454 120.200 0.051 0.000 2.077 597 E HA -0.140 4.213 4.350 0.004 0.000 0.193 597 E C 2.183 178.789 176.600 0.010 0.000 0.989 597 E CA 0.272 56.739 56.400 0.112 0.000 0.800 597 E CB -0.276 29.557 29.700 0.222 0.000 0.746 597 E HN 0.194 nan 8.360 nan 0.000 0.452 598 L N 1.665 122.697 121.223 -0.319 0.000 2.042 598 L HA -0.163 4.179 4.340 0.004 0.000 0.210 598 L C 2.296 179.028 176.870 -0.230 0.000 1.076 598 L CA 1.682 56.090 54.840 -0.720 0.000 0.749 598 L CB -0.439 41.196 42.059 -0.707 0.000 0.893 598 L HN -0.048 nan 8.230 nan 0.000 0.432 599 R N -0.900 119.535 120.500 -0.107 0.000 2.091 599 R HA -0.241 4.101 4.340 0.004 0.000 0.238 599 R C 2.250 178.538 176.300 -0.020 0.000 1.136 599 R CA 1.830 57.903 56.100 -0.045 0.000 0.959 599 R CB -0.273 30.017 30.300 -0.017 0.000 0.856 599 R HN 0.541 nan 8.270 nan 0.000 0.437 600 Q N -0.552 119.253 119.800 0.010 0.000 2.187 600 Q HA -0.156 4.186 4.340 0.004 0.000 0.199 600 Q C 1.613 177.651 176.000 0.063 0.000 0.957 600 Q CA 1.268 57.092 55.803 0.035 0.000 0.857 600 Q CB -0.309 28.460 28.738 0.052 0.000 0.929 600 Q HN 0.376 nan 8.270 nan 0.000 0.453 601 Y N 0.135 120.417 120.300 -0.030 0.000 2.373 601 Y HA 0.053 4.605 4.550 0.004 0.000 0.293 601 Y C 1.183 177.072 175.900 -0.018 0.000 1.129 601 Y CA 1.140 59.246 58.100 0.009 0.000 1.226 601 Y CB 0.263 38.771 38.460 0.079 0.000 1.000 601 Y HN 0.167 nan 8.280 nan 0.000 0.549 602 L N -0.656 120.534 121.223 -0.055 0.000 2.558 602 L HA -0.065 4.277 4.340 0.004 0.000 0.225 602 L C 2.022 178.834 176.870 -0.096 0.000 1.128 602 L CA 0.035 54.820 54.840 -0.092 0.000 0.868 602 L CB -0.263 41.770 42.059 -0.043 0.000 1.006 602 L HN 0.262 nan 8.230 nan 0.000 0.454 603 L N 0.558 121.729 121.223 -0.087 0.000 2.013 603 L HA -0.248 4.095 4.340 0.004 0.000 0.212 603 L C 2.863 179.689 176.870 -0.074 0.000 1.073 603 L CA 1.709 56.510 54.840 -0.064 0.000 0.753 603 L CB -0.454 41.577 42.059 -0.046 0.000 0.890 603 L HN 0.452 nan 8.230 nan 0.000 0.432 604 R N -0.234 120.202 120.500 -0.106 0.000 2.293 604 R HA -0.024 4.319 4.340 0.004 0.000 0.219 604 R C 0.405 176.657 176.300 -0.079 0.000 1.091 604 R CA 0.349 56.394 56.100 -0.092 0.000 1.004 604 R CB -0.841 29.392 30.300 -0.112 0.000 0.865 604 R HN 0.146 nan 8.270 nan 0.000 0.469 605 V N 3.657 123.520 119.914 -0.085 0.000 2.461 605 V HA 0.203 4.326 4.120 0.004 0.000 0.275 605 V C -2.064 174.006 176.094 -0.039 0.000 1.047 605 V CA -2.182 60.080 62.300 -0.063 0.000 0.955 605 V CB 1.237 33.020 31.823 -0.066 0.000 0.988 605 V HN 0.121 nan 8.190 nan 0.000 0.471 606 P HA 0.054 nan 4.420 nan 0.000 0.260 606 P C 0.501 177.790 177.300 -0.018 0.000 1.185 606 P CA 0.214 63.301 63.100 -0.021 0.000 0.763 606 P CB 0.587 32.277 31.700 -0.017 0.000 0.776 607 E N 2.299 122.489 120.200 -0.016 0.000 2.347 607 E HA -0.151 4.201 4.350 0.004 0.000 0.196 607 E C 0.919 177.511 176.600 -0.012 0.000 1.008 607 E CA 0.873 57.266 56.400 -0.012 0.000 0.852 607 E CB -0.060 29.635 29.700 -0.008 0.000 0.783 607 E HN 0.454 nan 8.360 nan 0.000 0.505 608 D N -0.339 120.053 120.400 -0.014 0.000 2.349 608 D HA -0.089 4.553 4.640 0.004 0.000 0.224 608 D C -0.052 176.237 176.300 -0.018 0.000 1.029 608 D CA 0.262 54.251 54.000 -0.017 0.000 0.879 608 D CB 0.095 40.885 40.800 -0.018 0.000 0.906 608 D HN 0.010 nan 8.370 nan 0.000 0.528 609 D N 1.188 121.580 120.400 -0.014 0.000 2.464 609 D HA 0.025 4.668 4.640 0.004 0.000 0.243 609 D C 0.963 177.260 176.300 -0.006 0.000 1.104 609 D CA -0.318 53.676 54.000 -0.010 0.000 0.883 609 D CB 1.455 42.250 40.800 -0.008 0.000 1.050 609 D HN 0.080 nan 8.370 nan 0.000 0.524 610 E N 2.891 123.087 120.200 -0.006 0.000 2.049 610 E HA -0.296 4.056 4.350 0.004 0.000 0.198 610 E C 1.382 177.989 176.600 0.012 0.000 1.007 610 E CA 1.715 58.115 56.400 0.001 0.000 0.809 610 E CB 0.175 29.876 29.700 0.003 0.000 0.749 610 E HN 0.545 nan 8.360 nan 0.000 0.450 611 E N 0.084 120.294 120.200 0.017 0.000 2.110 611 E HA -0.258 4.095 4.350 0.004 0.000 0.193 611 E C 2.203 178.816 176.600 0.022 0.000 0.988 611 E CA 1.754 58.168 56.400 0.024 0.000 0.804 611 E CB -0.050 29.665 29.700 0.026 0.000 0.745 611 E HN 0.416 nan 8.360 nan 0.000 0.458 612 Q N -0.438 119.372 119.800 0.015 0.000 2.083 612 Q HA -0.148 4.194 4.340 0.004 0.000 0.198 612 Q C 2.405 178.415 176.000 0.016 0.000 0.969 612 Q CA 1.183 56.994 55.803 0.015 0.000 0.838 612 Q CB -0.053 28.687 28.738 0.003 0.000 0.900 612 Q HN 0.354 nan 8.270 nan 0.000 0.436 613 Q N 0.459 120.264 119.800 0.008 0.000 2.045 613 Q HA -0.192 4.150 4.340 0.004 0.000 0.206 613 Q C 2.230 178.243 176.000 0.022 0.000 0.991 613 Q CA 1.164 56.972 55.803 0.009 0.000 0.851 613 Q CB -0.376 28.361 28.738 -0.002 0.000 0.911 613 Q HN 0.271 nan 8.270 nan 0.000 0.418 614 L N 1.099 122.332 121.223 0.017 0.000 1.989 614 L HA -0.225 4.117 4.340 0.004 0.000 0.211 614 L C 2.454 179.349 176.870 0.041 0.000 1.071 614 L CA 2.094 56.945 54.840 0.017 0.000 0.749 614 L CB -0.945 41.120 42.059 0.010 0.000 0.890 614 L HN 0.261 nan 8.230 nan 0.000 0.431 615 E N -0.497 119.732 120.200 0.048 0.000 2.110 615 E HA -0.174 4.178 4.350 0.004 0.000 0.193 615 E C 2.114 178.776 176.600 0.102 0.000 0.988 615 E CA 1.424 57.863 56.400 0.066 0.000 0.804 615 E CB -0.238 29.498 29.700 0.061 0.000 0.745 615 E HN 0.390 nan 8.360 nan 0.000 0.458 616 A N 0.569 123.458 122.820 0.114 0.000 1.933 616 A HA -0.109 4.214 4.320 0.004 0.000 0.218 616 A C 2.306 180.059 177.584 0.282 0.000 1.175 616 A CA 1.449 53.611 52.037 0.209 0.000 0.628 616 A CB -0.717 18.351 19.000 0.113 0.000 0.814 616 A HN 0.354 nan 8.150 nan 0.000 0.444 617 L N -1.331 119.993 121.223 0.168 0.000 2.083 617 L HA -0.180 4.162 4.340 0.004 0.000 0.209 617 L C 2.838 179.800 176.870 0.153 0.000 1.083 617 L CA 1.510 56.450 54.840 0.167 0.000 0.752 617 L CB -0.466 41.652 42.059 0.098 0.000 0.899 617 L HN 0.322 nan 8.230 nan 0.000 0.433 618 R N -0.332 120.220 120.500 0.086 0.000 2.075 618 R HA -0.146 4.197 4.340 0.004 0.000 0.232 618 R C 2.391 178.658 176.300 -0.054 0.000 1.126 618 R CA 1.213 57.312 56.100 -0.001 0.000 0.963 618 R CB -0.238 30.058 30.300 -0.007 0.000 0.858 618 R HN 0.446 nan 8.270 nan 0.000 0.435 619 Q N -0.388 119.434 119.800 0.037 0.000 2.061 619 Q HA -0.204 4.138 4.340 0.004 0.000 0.204 619 Q C 1.899 177.837 176.000 -0.103 0.000 0.984 619 Q CA 1.650 57.462 55.803 0.015 0.000 0.846 619 Q CB -0.265 28.603 28.738 0.216 0.000 0.902 619 Q HN 0.271 nan 8.270 nan 0.000 0.421 620 F N 1.955 121.767 119.950 -0.230 0.000 2.095 620 F HA -0.247 4.283 4.527 0.004 0.000 0.298 620 F C 2.341 178.019 175.800 -0.204 0.000 1.104 620 F CA 1.670 59.430 58.000 -0.399 0.000 1.232 620 F CB -0.055 38.792 39.000 -0.255 0.000 0.987 620 F HN -0.116 nan 8.300 nan 0.000 0.475 621 K N -0.243 120.120 120.400 -0.062 0.000 2.026 621 K HA -0.210 4.113 4.320 0.004 0.000 0.208 621 K C 2.080 178.533 176.600 -0.245 0.000 1.048 621 K CA 1.604 57.812 56.287 -0.131 0.000 0.929 621 K CB -0.229 32.212 32.500 -0.097 0.000 0.713 621 K HN 0.290 nan 8.250 nan 0.000 0.439 622 Q N 0.011 119.638 119.800 -0.289 0.000 2.124 622 Q HA -0.118 4.224 4.340 0.004 0.000 0.202 622 Q C 2.078 177.924 176.000 -0.257 0.000 0.977 622 Q CA 1.462 57.074 55.803 -0.318 0.000 0.850 622 Q CB -0.333 28.083 28.738 -0.535 0.000 0.901 622 Q HN 0.418 nan 8.270 nan 0.000 0.429 623 A N 1.163 123.796 122.820 -0.313 0.000 1.877 623 A HA -0.199 4.124 4.320 0.004 0.000 0.216 623 A C 2.097 179.493 177.584 -0.313 0.000 1.186 623 A CA 1.265 53.113 52.037 -0.315 0.000 0.620 623 A CB -0.295 18.465 19.000 -0.401 0.000 0.822 623 A HN 0.225 nan 8.150 nan 0.000 0.443 624 Q N -0.134 119.424 119.800 -0.404 0.000 2.119 624 Q HA -0.028 4.315 4.340 0.004 0.000 0.201 624 Q C 2.149 178.094 176.000 -0.092 0.000 0.972 624 Q CA 1.023 56.673 55.803 -0.255 0.000 0.847 624 Q CB -0.540 28.054 28.738 -0.240 0.000 0.903 624 Q HN 0.721 nan 8.270 nan 0.000 0.433 625 L N 0.139 121.313 121.223 -0.080 0.000 2.093 625 L HA -0.172 4.170 4.340 0.004 0.000 0.208 625 L C 2.321 179.208 176.870 0.029 0.000 1.085 625 L CA 0.572 55.437 54.840 0.041 0.000 0.755 625 L CB -0.511 41.578 42.059 0.050 0.000 0.904 625 L HN 0.209 nan 8.230 nan 0.000 0.435 626 L N 0.107 121.293 121.223 -0.063 0.000 2.017 626 L HA -0.190 4.152 4.340 0.004 0.000 0.208 626 L C 2.700 179.507 176.870 -0.104 0.000 1.073 626 L CA 1.704 56.491 54.840 -0.089 0.000 0.745 626 L CB -0.503 41.486 42.059 -0.116 0.000 0.894 626 L HN 0.058 nan 8.230 nan 0.000 0.432 627 R N -0.402 120.022 120.500 -0.126 0.000 2.083 627 R HA -0.144 4.198 4.340 0.004 0.000 0.237 627 R C 2.319 178.575 176.300 -0.072 0.000 1.137 627 R CA 2.098 58.116 56.100 -0.137 0.000 0.951 627 R CB -0.610 29.599 30.300 -0.152 0.000 0.851 627 R HN 0.412 nan 8.270 nan 0.000 0.434 628 I N 0.510 121.071 120.570 -0.015 0.000 2.127 628 I HA -0.312 3.861 4.170 0.004 0.000 0.241 628 I C 2.590 178.767 176.117 0.099 0.000 1.075 628 I CA 1.543 62.860 61.300 0.028 0.000 1.334 628 I CB -0.397 37.653 38.000 0.083 0.000 1.040 628 I HN 0.233 nan 8.210 nan 0.000 0.405 629 A N 0.373 123.275 122.820 0.137 0.000 1.969 629 A HA -0.105 4.218 4.320 0.004 0.000 0.218 629 A C 2.478 180.069 177.584 0.011 0.000 1.169 629 A CA 1.724 53.781 52.037 0.034 0.000 0.635 629 A CB -0.745 18.123 19.000 -0.220 0.000 0.810 629 A HN 0.454 nan 8.150 nan 0.000 0.445 630 A N -0.193 122.624 122.820 -0.004 0.000 1.897 630 A HA 0.254 4.577 4.320 0.004 0.000 0.215 630 A C 2.467 180.158 177.584 0.178 0.000 1.181 630 A CA 1.751 53.811 52.037 0.038 0.000 0.620 630 A CB -0.902 18.006 19.000 -0.154 0.000 0.821 630 A HN 0.981 nan 8.150 nan 0.000 0.443 631 A N -0.202 122.687 122.820 0.114 0.000 1.930 631 A HA -0.163 4.159 4.320 0.004 0.000 0.217 631 A C 1.899 179.533 177.584 0.085 0.000 1.175 631 A CA 1.934 54.047 52.037 0.126 0.000 0.627 631 A CB -0.519 18.499 19.000 0.030 0.000 0.815 631 A HN 0.500 nan 8.150 nan 0.000 0.443 632 D N 0.166 120.613 120.400 0.077 0.000 2.078 632 D HA -0.150 4.493 4.640 0.004 0.000 0.193 632 D C 1.800 178.150 176.300 0.083 0.000 0.990 632 D CA 1.179 55.230 54.000 0.085 0.000 0.827 632 D CB -0.215 40.658 40.800 0.121 0.000 0.975 632 D HN 0.225 nan 8.370 nan 0.000 0.451 633 I N 1.064 121.684 120.570 0.084 0.000 2.264 633 I HA -0.196 3.976 4.170 0.004 0.000 0.248 633 I C 2.274 178.427 176.117 0.059 0.000 1.111 633 I CA 1.038 62.383 61.300 0.075 0.000 1.382 633 I CB -1.243 36.801 38.000 0.072 0.000 1.060 633 I HN 0.000 nan 8.210 nan 0.000 0.418 634 A N -0.523 122.334 122.820 0.061 0.000 2.169 634 A HA 0.299 4.621 4.320 0.004 0.000 0.212 634 A C 1.922 179.486 177.584 -0.034 0.000 1.153 634 A CA 0.922 52.936 52.037 -0.039 0.000 0.756 634 A CB -0.519 18.361 19.000 -0.199 0.000 0.813 634 A HN 0.545 nan 8.150 nan 0.000 0.471 635 G N -1.875 106.932 108.800 0.011 0.000 2.148 635 G HA2 -0.291 3.672 3.960 0.004 0.000 0.254 635 G HA3 -0.291 3.672 3.960 0.004 0.000 0.254 635 G C 0.892 175.795 174.900 0.005 0.000 0.981 635 G CA 1.050 46.157 45.100 0.011 0.000 0.670 635 G HN 0.418 nan 8.290 nan 0.000 0.528 636 T N -0.842 113.716 114.554 0.007 0.000 3.023 636 T HA 0.259 4.611 4.350 0.004 0.000 0.266 636 T C 0.744 175.455 174.700 0.018 0.000 1.093 636 T CA 1.448 63.554 62.100 0.011 0.000 1.129 636 T CB -0.027 68.860 68.868 0.031 0.000 0.899 636 T HN 0.635 nan 8.240 nan 0.000 0.491 637 L N 2.088 123.324 121.223 0.022 0.000 2.376 637 L HA 0.528 4.870 4.340 0.004 0.000 0.275 637 L C -2.829 174.066 176.870 0.042 0.000 0.987 637 L CA -2.366 52.485 54.840 0.018 0.000 0.828 637 L CB 1.675 43.713 42.059 -0.036 0.000 1.249 637 L HN -0.259 nan 8.230 nan 0.000 0.409 638 P HA 0.017 nan 4.420 nan 0.000 0.268 638 P C 0.842 178.189 177.300 0.079 0.000 1.204 638 P CA -0.061 63.078 63.100 0.064 0.000 0.768 638 P CB 1.114 32.852 31.700 0.063 0.000 0.842 639 V N 4.148 124.114 119.914 0.087 0.000 2.469 639 V HA -0.250 3.872 4.120 0.004 0.000 0.251 639 V C 1.837 178.005 176.094 0.124 0.000 1.064 639 V CA 1.790 64.157 62.300 0.113 0.000 1.066 639 V CB -0.879 31.030 31.823 0.144 0.000 0.667 639 V HN 0.479 nan 8.190 nan 0.000 0.461 640 M N -0.765 118.896 119.600 0.103 0.000 2.419 640 M HA -0.152 4.331 4.480 0.004 0.000 0.260 640 M C 1.645 178.014 176.300 0.114 0.000 1.073 640 M CA 1.558 56.916 55.300 0.097 0.000 1.056 640 M CB -0.703 31.939 32.600 0.071 0.000 1.394 640 M HN 0.309 nan 8.290 nan 0.000 0.444 641 K N -0.831 119.647 120.400 0.131 0.000 2.360 641 K HA 0.182 4.504 4.320 0.004 0.000 0.196 641 K C 1.890 178.623 176.600 0.223 0.000 1.049 641 K CA 0.196 56.599 56.287 0.194 0.000 1.049 641 K CB -0.095 32.553 32.500 0.246 0.000 0.881 641 K HN 0.138 nan 8.250 nan 0.000 0.542 642 V N 1.203 121.166 119.914 0.082 0.000 2.282 642 V HA -0.262 3.860 4.120 0.004 0.000 0.249 642 V C 2.077 178.102 176.094 -0.114 0.000 1.057 642 V CA 2.084 64.326 62.300 -0.097 0.000 1.032 642 V CB -0.429 31.159 31.823 -0.390 0.000 0.645 642 V HN 0.238 nan 8.190 nan 0.000 0.447 643 S N -0.794 114.900 115.700 -0.012 0.000 2.382 643 S HA -0.224 4.248 4.470 0.004 0.000 0.228 643 S C 1.726 176.416 174.600 0.150 0.000 1.027 643 S CA 1.616 59.871 58.200 0.091 0.000 0.991 643 S CB -0.409 62.933 63.200 0.236 0.000 0.823 643 S HN 0.673 nan 8.310 nan 0.000 0.469 644 D N 0.481 121.013 120.400 0.221 0.000 2.092 644 D HA -0.123 4.519 4.640 0.004 0.000 0.193 644 D C 1.924 178.414 176.300 0.317 0.000 0.994 644 D CA 1.231 55.419 54.000 0.314 0.000 0.828 644 D CB -0.122 40.833 40.800 0.258 0.000 0.963 644 D HN 0.440 nan 8.370 nan 0.000 0.450 645 H N -0.356 118.867 119.070 0.255 0.000 2.353 645 H HA -0.059 4.499 4.556 0.004 0.000 0.300 645 H C 2.341 177.673 175.328 0.007 0.000 1.090 645 H CA 0.866 57.044 56.048 0.217 0.000 1.327 645 H CB -0.199 29.677 29.762 0.190 0.000 1.383 645 H HN 0.217 nan 8.280 nan 0.000 0.508 646 L N 0.039 121.290 121.223 0.046 0.000 2.131 646 L HA -0.147 4.196 4.340 0.004 0.000 0.210 646 L C 2.584 179.390 176.870 -0.107 0.000 1.092 646 L CA 1.210 56.011 54.840 -0.065 0.000 0.759 646 L CB -0.433 41.542 42.059 -0.140 0.000 0.903 646 L HN 0.211 nan 8.230 nan 0.000 0.435 647 T N -1.533 112.940 114.554 -0.136 0.000 2.770 647 T HA -0.174 4.178 4.350 0.004 0.000 0.263 647 T C 1.476 175.926 174.700 -0.415 0.000 1.039 647 T CA 1.288 63.160 62.100 -0.380 0.000 1.142 647 T CB -0.361 68.130 68.868 -0.629 0.000 0.868 647 T HN 0.361 nan 8.240 nan 0.000 0.435 648 W N 1.141 122.324 121.300 -0.196 0.000 2.321 648 W HA -0.072 4.591 4.660 0.005 0.000 0.306 648 W C 2.182 178.478 176.519 -0.371 0.000 1.217 648 W CA 0.072 57.304 57.345 -0.188 0.000 1.257 648 W CB -0.632 28.777 29.460 -0.084 0.000 1.145 648 W HN 0.165 nan 8.180 nan 0.000 0.509 649 L N 1.224 122.225 121.223 -0.371 0.000 1.994 649 L HA -0.108 4.235 4.340 0.004 0.000 0.208 649 L C 2.404 179.269 176.870 -0.009 0.000 1.071 649 L CA 2.619 57.243 54.840 -0.360 0.000 0.745 649 L CB -1.402 40.471 42.059 -0.310 0.000 0.892 649 L HN -0.042 nan 8.230 nan 0.000 0.431 650 A N -0.786 122.009 122.820 -0.042 0.000 1.940 650 A HA -0.250 4.072 4.320 0.004 0.000 0.219 650 A C 2.160 179.688 177.584 -0.094 0.000 1.176 650 A CA 1.983 53.953 52.037 -0.111 0.000 0.631 650 A CB -0.712 18.073 19.000 -0.358 0.000 0.814 650 A HN 0.672 nan 8.150 nan 0.000 0.446 651 E N -0.376 119.764 120.200 -0.101 0.000 2.072 651 E HA -0.099 4.254 4.350 0.004 0.000 0.191 651 E C 2.359 179.028 176.600 0.114 0.000 0.985 651 E CA 0.849 57.235 56.400 -0.024 0.000 0.801 651 E CB -0.312 29.351 29.700 -0.063 0.000 0.750 651 E HN 0.627 nan 8.360 nan 0.000 0.452 652 A N 1.323 124.244 122.820 0.167 0.000 1.908 652 A HA -0.221 4.101 4.320 0.004 0.000 0.218 652 A C 2.141 179.836 177.584 0.185 0.000 1.181 652 A CA 1.485 53.648 52.037 0.209 0.000 0.627 652 A CB -0.318 18.857 19.000 0.291 0.000 0.818 652 A HN 0.124 nan 8.150 nan 0.000 0.445 653 M N -0.747 118.983 119.600 0.216 0.000 2.156 653 M HA 0.013 4.495 4.480 0.004 0.000 0.264 653 M C 2.181 178.620 176.300 0.232 0.000 1.067 653 M CA 1.124 56.582 55.300 0.264 0.000 1.131 653 M CB -1.340 31.530 32.600 0.451 0.000 1.368 653 M HN 0.398 nan 8.290 nan 0.000 0.416 654 I N 0.719 121.433 120.570 0.241 0.000 2.163 654 I HA -0.332 3.841 4.170 0.004 0.000 0.243 654 I C 2.173 178.370 176.117 0.134 0.000 1.085 654 I CA 1.848 63.312 61.300 0.274 0.000 1.347 654 I CB -0.537 37.579 38.000 0.192 0.000 1.044 654 I HN 0.308 nan 8.210 nan 0.000 0.408 655 D N 0.620 121.118 120.400 0.162 0.000 2.158 655 D HA -0.215 4.427 4.640 0.004 0.000 0.197 655 D C 2.060 178.400 176.300 0.067 0.000 0.995 655 D CA 1.588 55.694 54.000 0.177 0.000 0.846 655 D CB 0.083 41.019 40.800 0.228 0.000 0.941 655 D HN 0.366 nan 8.370 nan 0.000 0.456 656 A N -0.573 122.276 122.820 0.050 0.000 1.975 656 A HA 0.066 4.388 4.320 0.004 0.000 0.215 656 A C 2.393 179.945 177.584 -0.053 0.000 1.170 656 A CA 0.715 52.757 52.037 0.007 0.000 0.656 656 A CB -0.392 18.612 19.000 0.006 0.000 0.821 656 A HN 0.198 nan 8.150 nan 0.000 0.449 657 V N -0.136 119.713 119.914 -0.109 0.000 2.295 657 V HA -0.236 3.887 4.120 0.004 0.000 0.246 657 V C 2.596 178.575 176.094 -0.191 0.000 1.049 657 V CA 2.117 64.267 62.300 -0.251 0.000 1.024 657 V CB -0.761 30.676 31.823 -0.642 0.000 0.648 657 V HN 0.360 nan 8.190 nan 0.000 0.447 658 V N -0.111 119.694 119.914 -0.180 0.000 2.287 658 V HA -0.346 3.776 4.120 0.004 0.000 0.248 658 V C 2.494 178.529 176.094 -0.099 0.000 1.053 658 V CA 2.417 64.585 62.300 -0.220 0.000 1.027 658 V CB -0.784 30.678 31.823 -0.601 0.000 0.646 658 V HN 0.611 nan 8.190 nan 0.000 0.447 659 Q N 0.452 120.215 119.800 -0.063 0.000 2.061 659 Q HA -0.280 4.062 4.340 0.004 0.000 0.204 659 Q C 2.278 178.318 176.000 0.066 0.000 0.984 659 Q CA 2.482 58.303 55.803 0.030 0.000 0.846 659 Q CB -0.531 28.225 28.738 0.030 0.000 0.902 659 Q HN 0.722 nan 8.270 nan 0.000 0.421 660 Q N -1.142 118.660 119.800 0.002 0.000 2.084 660 Q HA -0.133 4.210 4.340 0.004 0.000 0.202 660 Q C 1.888 177.878 176.000 -0.016 0.000 0.978 660 Q CA 1.511 57.309 55.803 -0.008 0.000 0.844 660 Q CB -0.328 28.384 28.738 -0.044 0.000 0.898 660 Q HN 0.498 nan 8.270 nan 0.000 0.426 661 A N 0.863 123.655 122.820 -0.047 0.000 1.902 661 A HA -0.200 4.122 4.320 0.004 0.000 0.217 661 A C 1.833 179.379 177.584 -0.063 0.000 1.181 661 A CA 1.210 53.193 52.037 -0.090 0.000 0.623 661 A CB -1.340 17.568 19.000 -0.153 0.000 0.818 661 A HN 0.819 nan 8.150 nan 0.000 0.443 662 W N 0.890 122.093 121.300 -0.161 0.000 2.355 662 W HA -0.157 4.505 4.660 0.004 0.000 0.309 662 W C 1.751 178.244 176.519 -0.043 0.000 1.206 662 W CA 2.128 59.411 57.345 -0.103 0.000 1.284 662 W CB -0.366 29.080 29.460 -0.024 0.000 1.145 662 W HN 0.198 nan 8.180 nan 0.000 0.502 663 V N 1.528 121.536 119.914 0.157 0.000 2.343 663 V HA -0.341 3.781 4.120 0.004 0.000 0.247 663 V C 2.460 178.515 176.094 -0.065 0.000 1.051 663 V CA 2.347 64.682 62.300 0.058 0.000 1.036 663 V CB -1.011 30.860 31.823 0.081 0.000 0.654 663 V HN 0.230 nan 8.190 nan 0.000 0.451 664 Q N -1.196 118.552 119.800 -0.088 0.000 2.084 664 Q HA -0.178 4.164 4.340 0.004 0.000 0.202 664 Q C 2.354 178.231 176.000 -0.204 0.000 0.978 664 Q CA 1.418 57.141 55.803 -0.134 0.000 0.844 664 Q CB -0.211 28.453 28.738 -0.122 0.000 0.898 664 Q HN 0.454 nan 8.270 nan 0.000 0.426 665 M N -0.194 119.252 119.600 -0.258 0.000 2.156 665 M HA -0.102 4.381 4.480 0.004 0.000 0.264 665 M C 2.265 178.463 176.300 -0.169 0.000 1.067 665 M CA 1.059 56.179 55.300 -0.300 0.000 1.131 665 M CB -0.649 31.558 32.600 -0.654 0.000 1.368 665 M HN 0.080 nan 8.290 nan 0.000 0.416 666 V N 0.513 120.285 119.914 -0.236 0.000 2.515 666 V HA -0.185 3.938 4.120 0.004 0.000 0.250 666 V C 2.636 178.654 176.094 -0.126 0.000 1.058 666 V CA 1.605 63.800 62.300 -0.174 0.000 1.064 666 V CB -1.101 30.533 31.823 -0.315 0.000 0.675 666 V HN 0.465 nan 8.190 nan 0.000 0.461 667 A N 0.016 122.748 122.820 -0.147 0.000 1.930 667 A HA -0.226 4.096 4.320 0.004 0.000 0.217 667 A C 2.370 179.831 177.584 -0.206 0.000 1.175 667 A CA 1.979 53.931 52.037 -0.141 0.000 0.627 667 A CB -0.435 18.492 19.000 -0.121 0.000 0.815 667 A HN 0.512 nan 8.150 nan 0.000 0.443 668 R N -2.517 117.780 120.500 -0.338 0.000 2.100 668 R HA -0.024 4.318 4.340 0.004 0.000 0.220 668 R C 0.987 176.921 176.300 -0.609 0.000 1.091 668 R CA 1.382 57.127 56.100 -0.591 0.000 0.986 668 R CB -0.103 29.629 30.300 -0.947 0.000 0.888 668 R HN 0.549 nan 8.270 nan 0.000 0.444 669 Y N -0.943 119.324 120.300 -0.055 0.000 2.453 669 Y HA 0.411 4.964 4.550 0.004 0.000 0.247 669 Y C 0.924 176.787 175.900 -0.062 0.000 1.124 669 Y CA 0.098 58.181 58.100 -0.028 0.000 1.243 669 Y CB 0.866 39.358 38.460 0.054 0.000 1.213 669 Y HN 0.299 nan 8.280 nan 0.000 0.523 670 G N 1.371 110.182 108.800 0.019 0.000 2.752 670 G HA2 -0.275 3.688 3.960 0.004 0.000 0.234 670 G HA3 -0.275 3.688 3.960 0.004 0.000 0.234 670 G C -0.471 174.325 174.900 -0.172 0.000 1.367 670 G CA -0.678 44.387 45.100 -0.058 0.000 0.879 670 G HN 0.181 nan 8.290 nan 0.000 0.563 671 K N 1.380 121.643 120.400 -0.229 0.000 2.143 671 K HA 0.474 4.796 4.320 0.004 0.000 0.272 671 K C -2.261 174.077 176.600 -0.436 0.000 1.001 671 K CA -1.622 54.428 56.287 -0.396 0.000 0.915 671 K CB 1.266 33.678 32.500 -0.147 0.000 1.047 671 K HN 0.237 nan 8.250 nan 0.000 0.458 672 P HA -0.085 nan 4.420 nan 0.000 0.262 672 P C -0.305 176.988 177.300 -0.012 0.000 1.182 672 P CA 0.229 63.138 63.100 -0.317 0.000 0.761 672 P CB 0.360 31.935 31.700 -0.208 0.000 0.795 673 N N 2.180 120.904 118.700 0.040 0.000 2.521 673 N HA -0.159 4.583 4.740 0.004 0.000 0.188 673 N C 1.030 176.614 175.510 0.123 0.000 1.146 673 N CA 0.866 53.946 53.050 0.050 0.000 0.893 673 N CB -1.318 37.178 38.487 0.016 0.000 0.975 673 N HN 0.615 nan 8.380 nan 0.000 0.451 674 H N -1.508 117.568 119.070 0.011 0.000 2.547 674 H HA 0.265 4.823 4.556 0.004 0.000 0.266 674 H C 1.073 176.443 175.328 0.070 0.000 0.988 674 H CA -0.115 55.961 56.048 0.047 0.000 1.147 674 H CB -0.073 29.733 29.762 0.073 0.000 1.365 674 H HN 0.093 nan 8.280 nan 0.000 0.589 675 L N 1.038 122.134 121.223 -0.212 0.000 2.653 675 L HA 0.123 4.466 4.340 0.004 0.000 0.232 675 L C 0.058 176.892 176.870 -0.060 0.000 1.169 675 L CA -0.269 54.444 54.840 -0.212 0.000 0.951 675 L CB -0.282 41.703 42.059 -0.123 0.000 1.181 675 L HN 0.366 nan 8.230 nan 0.000 0.460 676 N N 0.842 119.528 118.700 -0.024 0.000 2.515 676 N HA 0.089 4.832 4.740 0.004 0.000 0.279 676 N C 0.443 175.955 175.510 0.003 0.000 1.164 676 N CA -0.102 52.947 53.050 -0.000 0.000 0.982 676 N CB 1.225 39.719 38.487 0.012 0.000 1.170 676 N HN 0.081 nan 8.380 nan 0.000 0.474 677 E N -0.988 119.216 120.200 0.007 0.000 3.801 677 E HA -0.241 4.112 4.350 0.004 0.000 0.319 677 E C -0.303 176.299 176.600 0.004 0.000 0.784 677 E CA 0.832 57.237 56.400 0.008 0.000 1.183 677 E CB -0.584 29.124 29.700 0.013 0.000 1.601 677 E HN 0.451 nan 8.360 nan 0.000 0.441 678 R N 0.145 120.643 120.500 -0.002 0.000 2.502 678 R HA 0.193 4.536 4.340 0.004 0.000 0.298 678 R C 0.512 176.808 176.300 -0.006 0.000 1.018 678 R CA -0.401 55.694 56.100 -0.007 0.000 0.899 678 R CB 0.886 31.174 30.300 -0.020 0.000 1.181 678 R HN 0.012 nan 8.270 nan 0.000 0.444 679 E N 1.727 121.922 120.200 -0.008 0.000 2.085 679 E HA -0.113 4.240 4.350 0.004 0.000 0.194 679 E C 0.893 177.479 176.600 -0.024 0.000 0.994 679 E CA 1.488 57.880 56.400 -0.012 0.000 0.801 679 E CB 0.235 29.924 29.700 -0.017 0.000 0.743 679 E HN 0.717 nan 8.360 nan 0.000 0.453 680 G N -0.688 108.092 108.800 -0.033 0.000 2.606 680 G HA2 0.207 4.169 3.960 0.004 0.000 0.262 680 G HA3 0.207 4.169 3.960 0.004 0.000 0.262 680 G C 0.503 175.374 174.900 -0.049 0.000 1.394 680 G CA -0.433 44.630 45.100 -0.062 0.000 1.044 680 G HN 0.015 nan 8.290 nan 0.000 0.553 681 R N -0.991 119.475 120.500 -0.057 0.000 2.308 681 R HA 0.251 4.593 4.340 0.004 0.000 0.202 681 R C 1.470 177.974 176.300 0.339 0.000 0.898 681 R CA 0.555 56.626 56.100 -0.048 0.000 1.046 681 R CB 0.667 30.653 30.300 -0.523 0.000 1.026 681 R HN 0.850 nan 8.270 nan 0.000 0.512 682 G N 1.527 110.471 108.800 0.241 0.000 2.198 682 G HA2 -0.311 3.651 3.960 0.004 0.000 0.260 682 G HA3 -0.311 3.651 3.960 0.004 0.000 0.260 682 G C -0.300 174.741 174.900 0.235 0.000 1.025 682 G CA 0.416 45.668 45.100 0.254 0.000 0.769 682 G HN 0.316 nan 8.290 nan 0.000 0.507 683 F N 0.420 120.466 119.950 0.161 0.000 2.565 683 F HA 0.759 5.289 4.527 0.005 0.000 0.313 683 F C -0.256 175.671 175.800 0.211 0.000 1.091 683 F CA -0.542 57.561 58.000 0.171 0.000 0.915 683 F CB 1.980 41.239 39.000 0.431 0.000 1.208 683 F HN 0.609 nan 8.300 nan 0.000 0.453 684 A N 4.130 126.636 122.820 -0.523 0.000 2.449 684 A HA 0.772 5.095 4.320 0.004 0.000 0.302 684 A C -2.043 175.280 177.584 -0.435 0.000 1.048 684 A CA -0.705 51.153 52.037 -0.299 0.000 0.708 684 A CB 1.635 20.485 19.000 -0.249 0.000 1.274 684 A HN 0.585 nan 8.150 nan 0.000 0.410 685 V N 2.298 122.135 119.914 -0.129 0.000 2.384 685 V HA 0.431 4.553 4.120 0.004 0.000 0.287 685 V C -0.241 175.691 176.094 -0.269 0.000 1.020 685 V CA -0.551 61.677 62.300 -0.120 0.000 0.850 685 V CB 1.294 33.191 31.823 0.123 0.000 0.987 685 V HN 0.643 nan 8.190 nan 0.000 0.436 686 V N 3.919 123.590 119.914 -0.405 0.000 2.427 686 V HA 0.664 4.786 4.120 0.004 0.000 0.286 686 V C 0.839 176.740 176.094 -0.322 0.000 1.034 686 V CA -0.244 61.755 62.300 -0.501 0.000 0.893 686 V CB 1.756 33.187 31.823 -0.652 0.000 0.982 686 V HN 0.953 nan 8.190 nan 0.000 0.452 687 G N 3.366 111.980 108.800 -0.309 0.000 2.322 687 G HA2 0.546 4.508 3.960 0.004 0.000 0.309 687 G HA3 0.546 4.508 3.960 0.004 0.000 0.309 687 G C -1.218 173.598 174.900 -0.140 0.000 1.121 687 G CA -0.078 44.893 45.100 -0.215 0.000 0.886 687 G HN 0.472 nan 8.290 nan 0.000 0.447 688 Y N 0.977 121.180 120.300 -0.161 0.000 2.679 688 Y HA 0.657 5.209 4.550 0.003 0.000 0.331 688 Y C 1.418 177.281 175.900 -0.062 0.000 1.183 688 Y CA 0.530 58.588 58.100 -0.069 0.000 1.290 688 Y CB 1.228 39.674 38.460 -0.023 0.000 1.489 688 Y HN 1.059 nan 8.280 nan 0.000 0.583 689 G N 0.814 109.740 108.800 0.210 0.000 2.596 689 G HA2 -0.344 3.619 3.960 0.004 0.000 0.295 689 G HA3 -0.344 3.619 3.960 0.004 0.000 0.295 689 G C 0.923 175.858 174.900 0.058 0.000 1.240 689 G CA 0.708 45.880 45.100 0.121 0.000 0.985 689 G HN 0.619 nan 8.290 nan 0.000 0.555 690 K N -0.409 120.009 120.400 0.030 0.000 2.103 690 K HA 0.060 4.383 4.320 0.004 0.000 0.204 690 K C 2.664 179.223 176.600 -0.068 0.000 1.052 690 K CA 1.328 57.624 56.287 0.015 0.000 0.945 690 K CB -0.238 32.274 32.500 0.020 0.000 0.722 690 K HN 0.303 nan 8.250 nan 0.000 0.443 691 L N 1.297 122.438 121.223 -0.136 0.000 1.971 691 L HA -0.145 4.197 4.340 0.004 0.000 0.215 691 L C 2.204 178.875 176.870 -0.331 0.000 1.072 691 L CA 2.268 56.944 54.840 -0.273 0.000 0.758 691 L CB -1.196 40.697 42.059 -0.277 0.000 0.889 691 L HN 0.223 nan 8.230 nan 0.000 0.433 692 G N -1.503 107.180 108.800 -0.196 0.000 2.475 692 G HA2 -0.212 3.751 3.960 0.004 0.000 0.220 692 G HA3 -0.212 3.751 3.960 0.004 0.000 0.220 692 G C 1.271 176.128 174.900 -0.070 0.000 1.125 692 G CA 0.641 45.645 45.100 -0.161 0.000 0.755 692 G HN 0.641 nan 8.290 nan 0.000 0.565 693 G N -1.745 107.048 108.800 -0.013 0.000 3.502 693 G HA2 0.315 4.278 3.960 0.004 0.000 0.267 693 G HA3 0.315 4.278 3.960 0.004 0.000 0.267 693 G C 0.009 175.059 174.900 0.250 0.000 1.090 693 G CA -0.614 44.564 45.100 0.131 0.000 0.795 693 G HN 0.315 nan 8.290 nan 0.000 0.535 694 W N 0.021 121.298 121.300 -0.038 0.000 6.351 694 W HA -0.188 4.474 4.660 0.003 0.000 0.403 694 W C 0.831 177.359 176.519 0.014 0.000 1.540 694 W CA 0.888 58.197 57.345 -0.059 0.000 1.055 694 W CB -1.381 28.026 29.460 -0.088 0.000 2.721 694 W HN 0.439 nan 8.180 nan 0.000 1.542 695 E N -0.281 120.006 120.200 0.144 0.000 2.810 695 E HA 0.146 4.499 4.350 0.004 0.000 0.214 695 E C 0.562 177.214 176.600 0.087 0.000 0.980 695 E CA -0.287 56.205 56.400 0.153 0.000 1.159 695 E CB 0.140 29.956 29.700 0.192 0.000 1.047 695 E HN 0.141 nan 8.360 nan 0.000 0.484 696 L N 1.082 122.326 121.223 0.035 0.000 2.490 696 L HA 0.191 4.533 4.340 0.004 0.000 0.274 696 L C 1.001 177.917 176.870 0.077 0.000 1.201 696 L CA 0.205 55.053 54.840 0.014 0.000 0.869 696 L CB 0.542 42.569 42.059 -0.053 0.000 1.123 696 L HN 0.118 nan 8.230 nan 0.000 0.484 697 G N 0.916 109.766 108.800 0.083 0.000 2.613 697 G HA2 0.258 4.220 3.960 0.004 0.000 0.303 697 G HA3 0.258 4.220 3.960 0.004 0.000 0.303 697 G C 0.092 174.991 174.900 -0.002 0.000 1.312 697 G CA -0.337 44.829 45.100 0.111 0.000 1.036 697 G HN 0.558 nan 8.290 nan 0.000 0.513 698 Y N 0.088 120.459 120.300 0.118 0.000 2.224 698 Y HA -0.074 4.478 4.550 0.004 0.000 0.289 698 Y C 2.778 178.705 175.900 0.046 0.000 1.146 698 Y CA 1.954 60.089 58.100 0.057 0.000 1.182 698 Y CB 0.193 38.678 38.460 0.041 0.000 0.983 698 Y HN 0.405 nan 8.280 nan 0.000 0.524 699 S N -1.724 114.094 115.700 0.197 0.000 2.624 699 S HA 0.282 4.755 4.470 0.004 0.000 0.246 699 S C 0.011 174.672 174.600 0.102 0.000 1.072 699 S CA -0.669 57.607 58.200 0.126 0.000 1.045 699 S CB -0.175 63.091 63.200 0.110 0.000 0.851 699 S HN 0.007 nan 8.310 nan 0.000 0.480 700 S N 3.014 118.779 115.700 0.109 0.000 2.564 700 S HA 0.244 4.717 4.470 0.004 0.000 0.278 700 S C 0.115 174.786 174.600 0.119 0.000 1.333 700 S CA -0.331 57.924 58.200 0.092 0.000 1.048 700 S CB 0.315 63.555 63.200 0.067 0.000 0.900 700 S HN 0.512 nan 8.310 nan 0.000 0.505 701 D N 1.244 121.686 120.400 0.070 0.000 2.363 701 D HA 0.247 4.890 4.640 0.004 0.000 0.240 701 D C -0.107 176.173 176.300 -0.033 0.000 1.236 701 D CA 0.074 54.100 54.000 0.043 0.000 0.927 701 D CB 0.350 41.157 40.800 0.010 0.000 1.150 701 D HN 0.290 nan 8.370 nan 0.000 0.458 702 L N 1.081 122.226 121.223 -0.131 0.000 2.305 702 L HA 0.287 4.629 4.340 0.004 0.000 0.284 702 L C -0.159 176.592 176.870 -0.197 0.000 1.013 702 L CA -0.768 53.920 54.840 -0.252 0.000 0.819 702 L CB 1.355 43.119 42.059 -0.492 0.000 1.227 702 L HN 0.076 nan 8.230 nan 0.000 0.417 703 D N 6.122 126.434 120.400 -0.147 0.000 2.339 703 D HA 0.444 5.086 4.640 0.004 0.000 0.241 703 D C -0.446 175.761 176.300 -0.156 0.000 1.183 703 D CA 0.038 53.969 54.000 -0.115 0.000 0.859 703 D CB 1.856 42.640 40.800 -0.027 0.000 1.067 703 D HN 0.274 nan 8.370 nan 0.000 0.484 704 L N 2.962 124.033 121.223 -0.252 0.000 2.381 704 L HA 0.597 4.940 4.340 0.004 0.000 0.268 704 L C 0.064 176.600 176.870 -0.556 0.000 0.997 704 L CA -1.118 53.476 54.840 -0.410 0.000 0.818 704 L CB 2.239 43.971 42.059 -0.545 0.000 1.310 704 L HN 0.305 nan 8.230 nan 0.000 0.416 705 I N -1.487 118.745 120.570 -0.563 0.000 2.892 705 I HA 0.681 4.853 4.170 0.004 0.000 0.306 705 I C -1.573 174.117 176.117 -0.712 0.000 1.078 705 I CA -0.612 60.327 61.300 -0.603 0.000 1.032 705 I CB 2.483 40.344 38.000 -0.232 0.000 1.229 705 I HN 0.249 nan 8.210 nan 0.000 0.435 706 F N 4.194 124.057 119.950 -0.146 0.000 2.507 706 F HA 0.705 5.235 4.527 0.005 0.000 0.325 706 F C -0.475 175.129 175.800 -0.327 0.000 1.116 706 F CA -0.644 57.189 58.000 -0.279 0.000 0.930 706 F CB 1.787 40.768 39.000 -0.031 0.000 1.146 706 F HN 0.242 nan 8.300 nan 0.000 0.447 707 L N 3.047 124.065 121.223 -0.342 0.000 2.341 707 L HA 0.647 4.989 4.340 0.004 0.000 0.267 707 L C -0.656 176.048 176.870 -0.278 0.000 1.009 707 L CA -0.993 53.650 54.840 -0.329 0.000 0.819 707 L CB 2.335 44.162 42.059 -0.387 0.000 1.323 707 L HN 0.773 nan 8.230 nan 0.000 0.425 708 H N -1.246 117.713 119.070 -0.184 0.000 2.864 708 H HA 0.591 5.150 4.556 0.005 0.000 0.354 708 H C -1.358 173.884 175.328 -0.143 0.000 1.208 708 H CA -1.105 54.793 56.048 -0.251 0.000 1.191 708 H CB 1.340 30.831 29.762 -0.453 0.000 1.889 708 H HN 0.492 nan 8.280 nan 0.000 0.574 709 D N -0.162 120.339 120.400 0.168 0.000 2.895 709 D HA 0.120 4.763 4.640 0.004 0.000 0.350 709 D C -0.820 175.658 176.300 0.296 0.000 1.389 709 D CA -0.331 53.787 54.000 0.197 0.000 0.812 709 D CB -0.574 40.318 40.800 0.154 0.000 1.164 709 D HN 0.548 nan 8.370 nan 0.000 0.455 710 C N 1.543 121.078 119.300 0.391 0.000 2.435 710 C HA 0.580 5.043 4.460 0.004 0.000 0.375 710 C C -2.173 172.808 174.990 -0.015 0.000 1.281 710 C CA -1.416 57.586 59.018 -0.027 0.000 1.963 710 C CB 0.026 27.635 27.740 -0.218 0.000 2.490 710 C HN 0.242 nan 8.230 nan 0.000 0.557 711 P HA 0.091 nan 4.420 nan 0.000 0.270 711 P C 1.007 178.285 177.300 -0.038 0.000 1.223 711 P CA -0.075 63.015 63.100 -0.018 0.000 0.785 711 P CB 0.359 32.053 31.700 -0.010 0.000 0.923 712 M N 1.457 121.058 119.600 0.002 0.000 2.149 712 M HA -0.135 4.347 4.480 0.004 0.000 0.261 712 M C 0.991 177.277 176.300 -0.023 0.000 1.064 712 M CA 1.905 57.203 55.300 -0.002 0.000 1.102 712 M CB -1.127 31.482 32.600 0.015 0.000 1.369 712 M HN 0.451 nan 8.290 nan 0.000 0.408 713 D N -0.727 119.660 120.400 -0.022 0.000 2.328 713 D HA 0.148 4.791 4.640 0.004 0.000 0.221 713 D C 0.310 176.590 176.300 -0.034 0.000 1.072 713 D CA -0.013 53.975 54.000 -0.021 0.000 0.850 713 D CB -0.402 40.395 40.800 -0.005 0.000 0.922 713 D HN 0.078 nan 8.370 nan 0.000 0.516 714 A N 0.748 123.528 122.820 -0.066 0.000 2.440 714 A HA 0.522 4.845 4.320 0.004 0.000 0.251 714 A C 0.233 177.766 177.584 -0.085 0.000 1.089 714 A CA -0.169 51.819 52.037 -0.081 0.000 0.779 714 A CB 0.415 19.294 19.000 -0.202 0.000 1.022 714 A HN 0.172 nan 8.150 nan 0.000 0.492 715 M N 1.521 121.081 119.600 -0.067 0.000 2.644 715 M HA 0.367 4.849 4.480 0.004 0.000 0.304 715 M C 0.431 176.666 176.300 -0.109 0.000 1.215 715 M CA -0.413 54.837 55.300 -0.082 0.000 0.871 715 M CB 1.700 34.268 32.600 -0.053 0.000 1.740 715 M HN 0.859 nan 8.290 nan 0.000 0.464 716 T N -1.854 112.616 114.554 -0.139 0.000 2.868 716 T HA 0.247 4.600 4.350 0.004 0.000 0.292 716 T C 0.570 175.216 174.700 -0.089 0.000 1.028 716 T CA -0.427 61.569 62.100 -0.172 0.000 1.059 716 T CB 0.745 69.522 68.868 -0.152 0.000 0.991 716 T HN 0.716 nan 8.240 nan 0.000 0.531 717 D N -0.087 120.259 120.400 -0.089 0.000 2.369 717 D HA 0.161 4.803 4.640 0.004 0.000 0.211 717 D C 0.977 177.257 176.300 -0.034 0.000 1.077 717 D CA -0.397 53.573 54.000 -0.051 0.000 0.842 717 D CB -0.471 40.300 40.800 -0.048 0.000 0.947 717 D HN 0.716 nan 8.370 nan 0.000 0.509 718 G N 1.270 110.054 108.800 -0.027 0.000 2.651 718 G HA2 0.146 4.108 3.960 0.004 0.000 0.260 718 G HA3 0.146 4.108 3.960 0.004 0.000 0.260 718 G C 0.778 175.676 174.900 -0.004 0.000 1.216 718 G CA -0.020 45.072 45.100 -0.014 0.000 0.913 718 G HN 0.251 nan 8.290 nan 0.000 0.535 719 E N -0.681 119.514 120.200 -0.007 0.000 2.285 719 E HA -0.080 4.273 4.350 0.004 0.000 0.194 719 E C 1.559 178.164 176.600 0.009 0.000 0.997 719 E CA 0.116 56.514 56.400 -0.004 0.000 0.845 719 E CB 0.066 29.760 29.700 -0.011 0.000 0.782 719 E HN 0.371 nan 8.360 nan 0.000 0.491 720 R N 2.101 122.614 120.500 0.022 0.000 4.164 720 R HA 0.054 4.396 4.340 0.004 0.000 0.195 720 R C -0.531 175.842 176.300 0.121 0.000 1.712 720 R CA -0.098 56.044 56.100 0.069 0.000 1.457 720 R CB -0.204 30.131 30.300 0.059 0.000 1.387 720 R HN 0.174 nan 8.270 nan 0.000 0.785 721 E N 2.950 123.182 120.200 0.054 0.000 2.366 721 E HA 0.047 4.399 4.350 0.004 0.000 0.266 721 E C -0.185 176.416 176.600 0.002 0.000 1.015 721 E CA -0.079 56.334 56.400 0.023 0.000 0.906 721 E CB 0.508 30.206 29.700 -0.003 0.000 0.979 721 E HN 0.556 nan 8.360 nan 0.000 0.443 722 I N 0.423 120.965 120.570 -0.047 0.000 3.145 722 I HA 0.464 4.637 4.170 0.004 0.000 0.313 722 I C -0.608 175.435 176.117 -0.122 0.000 1.122 722 I CA -1.281 59.947 61.300 -0.120 0.000 0.987 722 I CB 1.854 39.682 38.000 -0.287 0.000 1.236 722 I HN 0.237 nan 8.210 nan 0.000 0.453 723 D N 3.004 123.335 120.400 -0.115 0.000 2.458 723 D HA 0.041 4.684 4.640 0.004 0.000 0.243 723 D C 1.200 177.428 176.300 -0.120 0.000 1.146 723 D CA 0.690 54.630 54.000 -0.099 0.000 0.877 723 D CB 1.704 42.459 40.800 -0.074 0.000 1.176 723 D HN 0.895 nan 8.370 nan 0.000 0.461 724 G N 3.276 111.996 108.800 -0.133 0.000 2.529 724 G HA2 -0.342 3.621 3.960 0.004 0.000 0.219 724 G HA3 -0.342 3.621 3.960 0.004 0.000 0.219 724 G C 1.484 176.335 174.900 -0.083 0.000 1.177 724 G CA 0.567 45.566 45.100 -0.168 0.000 0.773 724 G HN 0.475 nan 8.290 nan 0.000 0.573 725 R N -0.173 120.281 120.500 -0.077 0.000 2.081 725 R HA -0.080 4.263 4.340 0.004 0.000 0.235 725 R C 2.677 178.984 176.300 0.012 0.000 1.131 725 R CA 1.412 57.472 56.100 -0.067 0.000 0.960 725 R CB -0.446 29.810 30.300 -0.073 0.000 0.856 725 R HN 0.501 nan 8.270 nan 0.000 0.436 726 Q N 0.227 120.003 119.800 -0.039 0.000 2.167 726 Q HA -0.177 4.166 4.340 0.004 0.000 0.202 726 Q C 1.832 177.751 176.000 -0.136 0.000 0.970 726 Q CA 1.214 56.971 55.803 -0.078 0.000 0.855 726 Q CB -0.081 28.582 28.738 -0.125 0.000 0.911 726 Q HN 0.297 nan 8.270 nan 0.000 0.438 727 F N -0.078 119.660 119.950 -0.352 0.000 2.126 727 F HA -0.261 4.268 4.527 0.004 0.000 0.299 727 F C 1.195 176.741 175.800 -0.422 0.000 1.096 727 F CA 1.463 59.175 58.000 -0.481 0.000 1.255 727 F CB -0.253 38.407 39.000 -0.567 0.000 0.997 727 F HN 0.109 nan 8.300 nan 0.000 0.479 728 Y N -0.603 119.740 120.300 0.071 0.000 2.220 728 Y HA -0.142 4.411 4.550 0.005 0.000 0.291 728 Y C 2.737 178.605 175.900 -0.053 0.000 1.129 728 Y CA 1.450 59.562 58.100 0.021 0.000 1.161 728 Y CB -1.356 37.259 38.460 0.258 0.000 0.997 728 Y HN 0.101 nan 8.280 nan 0.000 0.522 729 L N 0.535 121.834 121.223 0.128 0.000 2.012 729 L HA -0.248 4.095 4.340 0.004 0.000 0.210 729 L C 2.378 179.200 176.870 -0.080 0.000 1.073 729 L CA 2.033 56.907 54.840 0.057 0.000 0.748 729 L CB -0.894 41.196 42.059 0.051 0.000 0.891 729 L HN 0.380 nan 8.230 nan 0.000 0.431 730 R N -0.876 119.518 120.500 -0.176 0.000 2.096 730 R HA -0.140 4.202 4.340 0.004 0.000 0.235 730 R C 2.221 178.336 176.300 -0.308 0.000 1.127 730 R CA 1.658 57.621 56.100 -0.228 0.000 0.968 730 R CB -0.623 29.514 30.300 -0.270 0.000 0.861 730 R HN 0.520 nan 8.270 nan 0.000 0.440 731 L N 0.792 121.736 121.223 -0.466 0.000 1.989 731 L HA -0.149 4.193 4.340 0.004 0.000 0.211 731 L C 2.269 178.866 176.870 -0.456 0.000 1.071 731 L CA 2.105 56.612 54.840 -0.555 0.000 0.749 731 L CB -0.685 40.918 42.059 -0.760 0.000 0.890 731 L HN 0.142 nan 8.230 nan 0.000 0.431 732 A N -1.299 121.280 122.820 -0.402 0.000 1.940 732 A HA -0.273 4.049 4.320 0.004 0.000 0.219 732 A C 2.199 179.599 177.584 -0.307 0.000 1.176 732 A CA 1.990 53.737 52.037 -0.483 0.000 0.631 732 A CB -0.574 18.240 19.000 -0.310 0.000 0.814 732 A HN 0.694 nan 8.150 nan 0.000 0.446 733 Q N -1.413 118.288 119.800 -0.165 0.000 2.049 733 Q HA -0.151 4.192 4.340 0.004 0.000 0.198 733 Q C 2.392 178.371 176.000 -0.035 0.000 0.971 733 Q CA 1.427 57.194 55.803 -0.060 0.000 0.833 733 Q CB -0.153 28.554 28.738 -0.051 0.000 0.896 733 Q HN 0.576 nan 8.270 nan 0.000 0.434 734 R N 1.099 121.538 120.500 -0.103 0.000 2.094 734 R HA -0.153 4.190 4.340 0.004 0.000 0.239 734 R C 1.982 178.266 176.300 -0.027 0.000 1.137 734 R CA 1.509 57.566 56.100 -0.071 0.000 0.943 734 R CB -0.549 29.662 30.300 -0.148 0.000 0.850 734 R HN 0.231 nan 8.270 nan 0.000 0.433 735 I N -0.025 120.481 120.570 -0.106 0.000 2.091 735 I HA -0.406 3.766 4.170 0.004 0.000 0.239 735 I C 2.169 178.357 176.117 0.118 0.000 1.061 735 I CA 1.529 62.782 61.300 -0.078 0.000 1.317 735 I CB -0.338 37.609 38.000 -0.088 0.000 1.031 735 I HN 0.242 nan 8.210 nan 0.000 0.401 736 M N -0.278 119.448 119.600 0.209 0.000 2.113 736 M HA -0.329 4.153 4.480 0.004 0.000 0.255 736 M C 2.461 178.907 176.300 0.242 0.000 1.073 736 M CA 2.145 57.630 55.300 0.309 0.000 1.091 736 M CB -1.861 30.876 32.600 0.228 0.000 1.309 736 M HN 0.365 nan 8.290 nan 0.000 0.407 737 H N 0.355 119.471 119.070 0.078 0.000 2.353 737 H HA -0.037 4.522 4.556 0.004 0.000 0.300 737 H C 1.959 177.308 175.328 0.036 0.000 1.090 737 H CA 1.714 57.791 56.048 0.050 0.000 1.327 737 H CB -0.121 29.645 29.762 0.006 0.000 1.383 737 H HN 0.330 nan 8.280 nan 0.000 0.508 738 L N -0.957 120.260 121.223 -0.010 0.000 2.201 738 L HA -0.120 4.222 4.340 0.004 0.000 0.212 738 L C 1.803 178.593 176.870 -0.134 0.000 1.105 738 L CA 0.661 55.424 54.840 -0.127 0.000 0.775 738 L CB -0.388 41.563 42.059 -0.181 0.000 0.913 738 L HN 0.256 nan 8.230 nan 0.000 0.440 739 F N 0.098 120.073 119.950 0.041 0.000 2.206 739 F HA -0.153 4.377 4.527 0.005 0.000 0.298 739 F C 2.827 178.654 175.800 0.044 0.000 1.090 739 F CA 1.438 59.491 58.000 0.089 0.000 1.323 739 F CB -0.428 38.658 39.000 0.142 0.000 1.028 739 F HN 0.123 nan 8.300 nan 0.000 0.492 740 S N -2.424 113.381 115.700 0.175 0.000 2.506 740 S HA 0.064 4.537 4.470 0.004 0.000 0.219 740 S C 1.107 175.703 174.600 -0.007 0.000 1.031 740 S CA 0.081 58.342 58.200 0.102 0.000 0.911 740 S CB -0.739 62.527 63.200 0.110 0.000 0.812 740 S HN 0.164 nan 8.310 nan 0.000 0.497 741 T N 2.451 116.918 114.554 -0.144 0.000 2.900 741 T HA 0.205 4.558 4.350 0.004 0.000 0.307 741 T C -0.133 174.531 174.700 -0.061 0.000 1.065 741 T CA -0.393 61.596 62.100 -0.185 0.000 1.105 741 T CB 0.303 68.903 68.868 -0.447 0.000 0.979 741 T HN 0.528 nan 8.240 nan 0.000 0.544 742 R N 2.948 123.435 120.500 -0.021 0.000 2.229 742 R HA 0.467 4.810 4.340 0.004 0.000 0.332 742 R C 0.233 176.548 176.300 0.026 0.000 0.989 742 R CA -0.560 55.551 56.100 0.018 0.000 0.842 742 R CB 0.542 30.860 30.300 0.030 0.000 1.119 742 R HN 0.876 nan 8.270 nan 0.000 0.456 743 T N 0.165 114.743 114.554 0.039 0.000 2.870 743 T HA 0.229 4.581 4.350 0.004 0.000 0.277 743 T C 1.179 175.922 174.700 0.072 0.000 1.000 743 T CA -0.523 61.606 62.100 0.049 0.000 0.982 743 T CB 1.418 70.312 68.868 0.045 0.000 1.249 743 T HN 0.420 nan 8.240 nan 0.000 0.589 744 S N 0.861 116.606 115.700 0.074 0.000 2.381 744 S HA -0.134 4.339 4.470 0.004 0.000 0.230 744 S C 1.751 176.441 174.600 0.149 0.000 1.052 744 S CA 1.955 60.210 58.200 0.092 0.000 1.068 744 S CB -0.800 62.453 63.200 0.088 0.000 0.918 744 S HN 0.772 nan 8.310 nan 0.000 0.448 745 S N 0.990 116.787 115.700 0.161 0.000 2.685 745 S HA 0.507 4.979 4.470 0.004 0.000 0.240 745 S C 0.968 175.714 174.600 0.242 0.000 0.967 745 S CA 0.113 58.458 58.200 0.240 0.000 1.009 745 S CB -0.257 62.997 63.200 0.089 0.000 0.776 745 S HN 0.827 nan 8.310 nan 0.000 0.467 746 G N 2.305 111.228 108.800 0.206 0.000 2.499 746 G HA2 -0.236 3.726 3.960 0.004 0.000 0.232 746 G HA3 -0.236 3.726 3.960 0.004 0.000 0.232 746 G C -0.333 174.619 174.900 0.087 0.000 1.251 746 G CA -0.273 44.929 45.100 0.170 0.000 0.917 746 G HN 0.753 nan 8.290 nan 0.000 0.580 747 I N -1.779 118.834 120.570 0.071 0.000 2.707 747 I HA 0.804 4.976 4.170 0.004 0.000 0.309 747 I C 1.340 177.468 176.117 0.019 0.000 1.001 747 I CA -1.052 60.277 61.300 0.049 0.000 1.129 747 I CB 1.596 39.631 38.000 0.058 0.000 1.308 747 I HN 0.719 nan 8.210 nan 0.000 0.466 748 L N 3.754 125.015 121.223 0.064 0.000 2.022 748 L HA 0.318 4.661 4.340 0.004 0.000 0.204 748 L C -0.384 176.419 176.870 -0.112 0.000 1.076 748 L CA 1.468 56.335 54.840 0.046 0.000 0.749 748 L CB -0.377 41.831 42.059 0.249 0.000 0.903 748 L HN 0.693 nan 8.230 nan 0.000 0.439 749 Y N -0.574 119.836 120.300 0.183 0.000 2.513 749 Y HA 0.351 4.904 4.550 0.004 0.000 0.340 749 Y C -0.343 175.566 175.900 0.015 0.000 1.055 749 Y CA -1.388 56.738 58.100 0.043 0.000 1.020 749 Y CB 1.172 39.568 38.460 -0.107 0.000 1.301 749 Y HN -0.081 nan 8.280 nan 0.000 0.453 750 E N 2.322 122.611 120.200 0.149 0.000 2.324 750 E HA 0.238 4.590 4.350 0.004 0.000 0.271 750 E C -0.874 175.740 176.600 0.022 0.000 1.028 750 E CA -0.183 56.268 56.400 0.086 0.000 0.890 750 E CB 1.578 31.317 29.700 0.065 0.000 1.004 750 E HN 0.263 nan 8.360 nan 0.000 0.431 751 V N 3.516 123.431 119.914 0.002 0.000 2.394 751 V HA 0.095 4.217 4.120 0.004 0.000 0.282 751 V C 0.022 176.104 176.094 -0.020 0.000 1.031 751 V CA -0.670 61.589 62.300 -0.068 0.000 0.881 751 V CB 1.670 33.466 31.823 -0.044 0.000 0.982 751 V HN 0.510 nan 8.190 nan 0.000 0.451 752 D N 4.191 124.558 120.400 -0.055 0.000 2.349 752 D HA 0.560 5.202 4.640 0.004 0.000 0.232 752 D C 0.306 176.563 176.300 -0.072 0.000 1.071 752 D CA -0.393 53.585 54.000 -0.037 0.000 0.832 752 D CB 2.021 42.801 40.800 -0.033 0.000 1.086 752 D HN 0.572 nan 8.370 nan 0.000 0.504 753 A N 4.363 127.158 122.820 -0.042 0.000 2.500 753 A HA 0.156 4.479 4.320 0.004 0.000 0.267 753 A C 1.615 179.160 177.584 -0.064 0.000 1.290 753 A CA -0.263 51.730 52.037 -0.073 0.000 0.928 753 A CB 0.029 19.039 19.000 0.017 0.000 1.066 753 A HN 0.557 nan 8.150 nan 0.000 0.516 754 R N -0.404 120.067 120.500 -0.048 0.000 2.235 754 R HA 0.110 4.453 4.340 0.004 0.000 0.213 754 R C 0.810 177.098 176.300 -0.021 0.000 1.059 754 R CA 0.708 56.800 56.100 -0.013 0.000 0.997 754 R CB -0.216 30.090 30.300 0.010 0.000 0.884 754 R HN 0.481 nan 8.270 nan 0.000 0.462 755 L N 1.686 122.833 121.223 -0.127 0.000 2.599 755 L HA 0.051 4.393 4.340 0.004 0.000 0.230 755 L C 0.986 177.715 176.870 -0.235 0.000 1.141 755 L CA -0.097 54.618 54.840 -0.207 0.000 0.877 755 L CB -0.408 41.320 42.059 -0.552 0.000 1.009 755 L HN 0.170 nan 8.230 nan 0.000 0.447 756 R N 0.787 121.192 120.500 -0.157 0.000 2.774 756 R HA 0.209 4.552 4.340 0.004 0.000 0.269 756 R C -2.422 173.798 176.300 -0.133 0.000 1.068 756 R CA -1.602 54.438 56.100 -0.101 0.000 1.180 756 R CB -0.896 29.364 30.300 -0.066 0.000 1.077 756 R HN -0.187 nan 8.270 nan 0.000 0.513 757 P HA 0.008 nan 4.420 nan 0.000 0.263 757 P C -0.497 176.529 177.300 -0.456 0.000 1.195 757 P CA 0.522 63.134 63.100 -0.813 0.000 0.762 757 P CB 0.983 31.944 31.700 -1.230 0.000 0.799 758 S N 1.268 116.828 115.700 -0.232 0.000 3.018 758 S HA -0.149 4.323 4.470 0.004 0.000 0.274 758 S C 1.053 175.693 174.600 0.067 0.000 1.300 758 S CA 1.089 59.300 58.200 0.018 0.000 1.179 758 S CB -2.000 61.195 63.200 -0.009 0.000 1.427 758 S HN 1.107 nan 8.310 nan 0.000 0.668 759 G N 1.100 109.933 108.800 0.056 0.000 2.566 759 G HA2 -0.054 3.908 3.960 0.004 0.000 0.280 759 G HA3 -0.054 3.908 3.960 0.004 0.000 0.280 759 G C 0.828 175.759 174.900 0.051 0.000 1.225 759 G CA 1.027 46.174 45.100 0.079 0.000 0.966 759 G HN 1.667 nan 8.290 nan 0.000 0.560 760 A N -0.501 122.355 122.820 0.059 0.000 2.186 760 A HA 0.359 4.682 4.320 0.004 0.000 0.219 760 A C 2.643 180.258 177.584 0.051 0.000 1.159 760 A CA 2.937 55.005 52.037 0.052 0.000 0.680 760 A CB -0.625 18.405 19.000 0.050 0.000 0.787 760 A HN 2.250 nan 8.150 nan 0.000 0.467 761 A N -0.797 122.054 122.820 0.052 0.000 2.220 761 A HA 0.498 4.821 4.320 0.004 0.000 0.211 761 A C 1.349 178.955 177.584 0.036 0.000 1.176 761 A CA 0.639 52.705 52.037 0.048 0.000 0.834 761 A CB -0.451 18.584 19.000 0.059 0.000 0.868 761 A HN 0.658 nan 8.150 nan 0.000 0.488 762 G N -0.321 108.493 108.800 0.023 0.000 2.507 762 G HA2 0.470 4.432 3.960 0.004 0.000 0.271 762 G HA3 0.470 4.432 3.960 0.004 0.000 0.271 762 G C 0.292 175.207 174.900 0.025 0.000 1.189 762 G CA -0.611 44.488 45.100 -0.002 0.000 0.859 762 G HN 0.093 nan 8.290 nan 0.000 0.542 763 M N 0.905 120.522 119.600 0.029 0.000 2.246 763 M HA -0.053 4.430 4.480 0.004 0.000 0.327 763 M C 1.545 177.899 176.300 0.090 0.000 1.090 763 M CA -0.302 55.035 55.300 0.063 0.000 1.087 763 M CB 0.358 33.002 32.600 0.072 0.000 1.587 763 M HN 0.471 nan 8.290 nan 0.000 0.444 764 L N 3.666 124.964 121.223 0.125 0.000 2.275 764 L HA 0.018 4.360 4.340 0.004 0.000 0.215 764 L C 0.164 177.196 176.870 0.270 0.000 1.119 764 L CA 1.182 56.136 54.840 0.189 0.000 0.790 764 L CB 0.297 42.461 42.059 0.175 0.000 0.919 764 L HN 0.467 nan 8.230 nan 0.000 0.443 765 V N -1.143 118.911 119.914 0.232 0.000 2.760 765 V HA 0.479 4.601 4.120 0.004 0.000 0.309 765 V C -0.317 175.859 176.094 0.137 0.000 1.077 765 V CA -0.704 61.755 62.300 0.264 0.000 0.910 765 V CB 1.882 33.957 31.823 0.420 0.000 1.008 765 V HN 0.098 nan 8.190 nan 0.000 0.424 766 T N 1.695 116.244 114.554 -0.010 0.000 2.885 766 T HA 0.501 4.853 4.350 0.004 0.000 0.285 766 T C 0.143 174.572 174.700 -0.452 0.000 1.019 766 T CA -0.538 61.490 62.100 -0.119 0.000 1.010 766 T CB 1.686 70.533 68.868 -0.035 0.000 1.022 766 T HN 0.931 nan 8.240 nan 0.000 0.466 767 S N 1.215 116.587 115.700 -0.548 0.000 2.579 767 S HA 0.384 4.856 4.470 0.004 0.000 0.275 767 S C 1.679 176.105 174.600 -0.290 0.000 1.345 767 S CA -0.275 57.550 58.200 -0.625 0.000 1.031 767 S CB 0.579 63.636 63.200 -0.239 0.000 0.892 767 S HN 0.877 nan 8.310 nan 0.000 0.529 768 A N 1.674 124.304 122.820 -0.315 0.000 1.933 768 A HA -0.070 4.253 4.320 0.004 0.000 0.218 768 A C 2.112 179.585 177.584 -0.184 0.000 1.175 768 A CA 1.563 53.377 52.037 -0.373 0.000 0.628 768 A CB -0.997 17.461 19.000 -0.904 0.000 0.814 768 A HN 0.969 nan 8.150 nan 0.000 0.444 769 E N -0.497 119.656 120.200 -0.078 0.000 2.150 769 E HA -0.080 4.272 4.350 0.004 0.000 0.193 769 E C 2.168 178.801 176.600 0.055 0.000 0.985 769 E CA 0.823 57.262 56.400 0.064 0.000 0.814 769 E CB -0.192 29.569 29.700 0.101 0.000 0.752 769 E HN 0.644 nan 8.360 nan 0.000 0.466 770 A N 0.478 123.319 122.820 0.034 0.000 1.970 770 A HA -0.095 4.228 4.320 0.004 0.000 0.216 770 A C 1.847 179.481 177.584 0.083 0.000 1.170 770 A CA 0.401 52.465 52.037 0.045 0.000 0.645 770 A CB -0.479 18.533 19.000 0.021 0.000 0.816 770 A HN 0.329 nan 8.150 nan 0.000 0.447 771 F N 1.233 121.152 119.950 -0.053 0.000 2.134 771 F HA -0.073 4.457 4.527 0.005 0.000 0.299 771 F C 2.425 178.253 175.800 0.047 0.000 1.097 771 F CA 1.224 59.217 58.000 -0.012 0.000 1.264 771 F CB -0.329 38.643 39.000 -0.047 0.000 1.001 771 F HN 0.245 nan 8.300 nan 0.000 0.479 772 A N -0.107 122.737 122.820 0.041 0.000 1.855 772 A HA -0.223 4.100 4.320 0.004 0.000 0.215 772 A C 1.934 179.466 177.584 -0.086 0.000 1.191 772 A CA 1.937 53.944 52.037 -0.050 0.000 0.613 772 A CB -1.381 17.663 19.000 0.075 0.000 0.829 772 A HN 0.482 nan 8.150 nan 0.000 0.442 773 D N -1.852 118.535 120.400 -0.022 0.000 2.133 773 D HA -0.253 4.390 4.640 0.004 0.000 0.192 773 D C 1.735 178.001 176.300 -0.058 0.000 1.001 773 D CA 1.975 55.956 54.000 -0.031 0.000 0.844 773 D CB -0.290 40.511 40.800 0.002 0.000 0.944 773 D HN 0.559 nan 8.370 nan 0.000 0.447 774 Y N 0.474 120.662 120.300 -0.186 0.000 2.200 774 Y HA -0.166 4.387 4.550 0.005 0.000 0.290 774 Y C 2.229 177.963 175.900 -0.277 0.000 1.137 774 Y CA 1.489 59.456 58.100 -0.221 0.000 1.163 774 Y CB -0.195 38.140 38.460 -0.207 0.000 0.988 774 Y HN -0.032 nan 8.280 nan 0.000 0.518 775 Q N 0.797 120.440 119.800 -0.262 0.000 2.084 775 Q HA -0.179 4.164 4.340 0.004 0.000 0.202 775 Q C 2.063 177.943 176.000 -0.200 0.000 0.978 775 Q CA 1.929 57.550 55.803 -0.302 0.000 0.844 775 Q CB -0.228 28.259 28.738 -0.418 0.000 0.898 775 Q HN 0.585 nan 8.270 nan 0.000 0.426 776 K N 0.121 120.396 120.400 -0.208 0.000 2.062 776 K HA -0.010 4.312 4.320 0.004 0.000 0.205 776 K C 1.635 178.126 176.600 -0.183 0.000 1.051 776 K CA 0.955 57.143 56.287 -0.165 0.000 0.941 776 K CB 0.111 32.529 32.500 -0.137 0.000 0.719 776 K HN 0.148 nan 8.250 nan 0.000 0.440 777 N N 0.162 118.723 118.700 -0.233 0.000 2.368 777 N HA 0.006 4.748 4.740 0.004 0.000 0.178 777 N C 0.926 176.215 175.510 -0.368 0.000 1.076 777 N CA 0.669 53.574 53.050 -0.242 0.000 0.889 777 N CB 0.790 39.175 38.487 -0.170 0.000 1.040 777 N HN 0.283 nan 8.380 nan 0.000 0.463 778 E N 0.354 120.211 120.200 -0.573 0.000 2.444 778 E HA 0.257 4.610 4.350 0.004 0.000 0.209 778 E C 0.186 176.100 176.600 -1.143 0.000 0.806 778 E CA -0.199 55.723 56.400 -0.796 0.000 1.240 778 E CB 0.733 29.969 29.700 -0.772 0.000 1.238 778 E HN 0.084 nan 8.360 nan 0.000 0.591 779 A N 1.608 123.713 122.820 -1.191 0.000 2.531 779 A HA 0.083 4.406 4.320 0.004 0.000 0.236 779 A C -0.556 176.399 177.584 -1.049 0.000 1.062 779 A CA 0.119 51.478 52.037 -1.130 0.000 0.760 779 A CB -0.211 18.344 19.000 -0.742 0.000 0.995 779 A HN 0.155 nan 8.150 nan 0.000 0.501 780 W N 1.196 122.019 121.300 -0.794 0.000 2.129 780 W HA 0.327 4.989 4.660 0.004 0.000 0.349 780 W C 1.547 177.580 176.519 -0.810 0.000 1.279 780 W CA 0.093 57.008 57.345 -0.717 0.000 1.306 780 W CB 0.154 29.163 29.460 -0.753 0.000 1.140 780 W HN 0.743 nan 8.180 nan 0.000 0.613 781 T N 1.161 115.598 114.554 -0.194 0.000 2.699 781 T HA -0.261 4.091 4.350 0.004 0.000 0.268 781 T C 1.600 176.296 174.700 -0.007 0.000 1.036 781 T CA 2.116 64.138 62.100 -0.130 0.000 1.147 781 T CB -0.518 68.381 68.868 0.051 0.000 0.862 781 T HN 0.706 nan 8.240 nan 0.000 0.446 782 W N 1.946 123.280 121.300 0.058 0.000 2.392 782 W HA -0.046 4.614 4.660 0.001 0.000 0.279 782 W C 1.397 177.968 176.519 0.088 0.000 1.225 782 W CA 0.816 58.194 57.345 0.056 0.000 1.233 782 W CB -0.654 28.840 29.460 0.056 0.000 1.122 782 W HN 0.369 nan 8.180 nan 0.000 0.561 783 E N 0.200 120.123 120.200 -0.462 0.000 2.107 783 E HA -0.174 4.179 4.350 0.004 0.000 0.191 783 E C 1.925 178.548 176.600 0.038 0.000 0.982 783 E CA 1.464 57.657 56.400 -0.345 0.000 0.809 783 E CB -0.548 28.775 29.700 -0.628 0.000 0.756 783 E HN 0.541 nan 8.360 nan 0.000 0.459 784 H N 0.522 119.540 119.070 -0.086 0.000 2.326 784 H HA -0.069 4.489 4.556 0.003 0.000 0.301 784 H C 2.302 177.633 175.328 0.004 0.000 1.081 784 H CA 0.695 56.714 56.048 -0.048 0.000 1.334 784 H CB 0.154 29.866 29.762 -0.084 0.000 1.385 784 H HN 0.124 nan 8.280 nan 0.000 0.504 785 Q N 0.556 120.441 119.800 0.143 0.000 2.029 785 Q HA -0.246 4.096 4.340 0.004 0.000 0.209 785 Q C 2.674 178.735 176.000 0.101 0.000 0.999 785 Q CA 1.540 57.380 55.803 0.060 0.000 0.857 785 Q CB -0.234 28.492 28.738 -0.018 0.000 0.926 785 Q HN 0.489 nan 8.270 nan 0.000 0.415 786 A N 0.444 123.388 122.820 0.207 0.000 1.978 786 A HA -0.183 4.140 4.320 0.004 0.000 0.220 786 A C 1.957 179.716 177.584 0.292 0.000 1.170 786 A CA 1.273 53.498 52.037 0.314 0.000 0.636 786 A CB -0.504 18.769 19.000 0.455 0.000 0.810 786 A HN 0.386 nan 8.150 nan 0.000 0.448 787 L N -0.359 121.006 121.223 0.238 0.000 2.313 787 L HA -0.001 4.342 4.340 0.004 0.000 0.214 787 L C 2.097 178.961 176.870 -0.010 0.000 1.119 787 L CA 1.079 55.972 54.840 0.089 0.000 0.809 787 L CB -0.204 41.944 42.059 0.148 0.000 0.933 787 L HN 0.117 nan 8.230 nan 0.000 0.449 788 V N -0.165 119.759 119.914 0.017 0.000 2.546 788 V HA -0.305 3.818 4.120 0.004 0.000 0.254 788 V C 2.647 178.742 176.094 0.001 0.000 1.076 788 V CA 2.192 64.490 62.300 -0.003 0.000 1.087 788 V CB -0.804 31.018 31.823 -0.000 0.000 0.674 788 V HN 0.513 nan 8.190 nan 0.000 0.470 789 R N -0.415 120.079 120.500 -0.009 0.000 2.290 789 R HA 0.320 4.662 4.340 0.004 0.000 0.197 789 R C 0.992 177.240 176.300 -0.087 0.000 0.913 789 R CA 0.528 56.627 56.100 -0.002 0.000 1.040 789 R CB 0.109 30.438 30.300 0.048 0.000 0.992 789 R HN 0.480 nan 8.270 nan 0.000 0.500 790 A N 1.583 124.262 122.820 -0.235 0.000 2.388 790 A HA 0.417 4.739 4.320 0.004 0.000 0.257 790 A C -0.500 177.013 177.584 -0.119 0.000 1.095 790 A CA -0.271 51.522 52.037 -0.407 0.000 0.791 790 A CB 0.262 18.771 19.000 -0.818 0.000 1.029 790 A HN 0.508 nan 8.150 nan 0.000 0.489 791 R N 0.430 120.788 120.500 -0.236 0.000 2.680 791 R HA 0.579 4.922 4.340 0.004 0.000 0.269 791 R C -1.836 174.210 176.300 -0.423 0.000 1.026 791 R CA -0.930 55.059 56.100 -0.186 0.000 0.889 791 R CB 0.979 31.262 30.300 -0.029 0.000 1.241 791 R HN 0.298 nan 8.270 nan 0.000 0.463 792 V N 2.621 122.273 119.914 -0.436 0.000 2.521 792 V HA 0.028 4.150 4.120 0.004 0.000 0.286 792 V C 1.227 177.183 176.094 -0.230 0.000 1.034 792 V CA 0.227 62.274 62.300 -0.421 0.000 1.045 792 V CB 1.273 32.907 31.823 -0.315 0.000 0.974 792 V HN 0.723 nan 8.190 nan 0.000 0.480 793 V N 2.478 122.271 119.914 -0.201 0.000 3.645 793 V HA 0.410 4.532 4.120 0.004 0.000 0.275 793 V C -0.030 176.081 176.094 0.029 0.000 1.356 793 V CA 0.103 62.334 62.300 -0.116 0.000 1.051 793 V CB -0.383 31.341 31.823 -0.164 0.000 0.828 793 V HN 0.684 nan 8.190 nan 0.000 0.441 794 Y N 0.247 120.487 120.300 -0.099 0.000 2.399 794 Y HA 0.762 5.315 4.550 0.004 0.000 0.327 794 Y C -0.333 175.533 175.900 -0.057 0.000 1.111 794 Y CA -0.081 58.001 58.100 -0.030 0.000 1.047 794 Y CB 1.460 39.950 38.460 0.050 0.000 1.259 794 Y HN 0.391 nan 8.280 nan 0.000 0.434 795 G N 3.951 112.442 108.800 -0.515 0.000 2.355 795 G HA2 0.373 4.335 3.960 0.004 0.000 0.296 795 G HA3 0.373 4.335 3.960 0.004 0.000 0.296 795 G C -1.962 172.764 174.900 -0.291 0.000 1.507 795 G CA -0.599 44.328 45.100 -0.289 0.000 0.823 795 G HN 0.763 nan 8.290 nan 0.000 0.569 796 D N 0.174 120.479 120.400 -0.158 0.000 2.433 796 D HA 0.541 5.184 4.640 0.004 0.000 0.255 796 D C -1.666 174.593 176.300 -0.068 0.000 1.226 796 D CA -1.576 52.354 54.000 -0.118 0.000 1.015 796 D CB 0.755 41.515 40.800 -0.067 0.000 1.091 796 D HN 0.120 nan 8.370 nan 0.000 0.527 797 P HA -0.144 nan 4.420 nan 0.000 0.217 797 P C 1.455 178.755 177.300 -0.000 0.000 1.151 797 P CA 1.471 64.556 63.100 -0.025 0.000 0.828 797 P CB 0.060 31.747 31.700 -0.022 0.000 0.788 798 Q N -0.520 119.286 119.800 0.010 0.000 2.002 798 Q HA -0.194 4.148 4.340 0.004 0.000 0.204 798 Q C 1.944 177.990 176.000 0.077 0.000 0.988 798 Q CA 1.525 57.350 55.803 0.037 0.000 0.843 798 Q CB -0.846 27.919 28.738 0.046 0.000 0.908 798 Q HN 0.003 nan 8.270 nan 0.000 0.420 799 L N 0.659 121.925 121.223 0.071 0.000 2.079 799 L HA -0.151 4.192 4.340 0.004 0.000 0.210 799 L C 2.263 179.183 176.870 0.083 0.000 1.081 799 L CA 2.090 56.978 54.840 0.080 0.000 0.752 799 L CB -1.077 40.990 42.059 0.014 0.000 0.896 799 L HN 0.347 nan 8.230 nan 0.000 0.433 800 T N -0.556 114.021 114.554 0.039 0.000 2.746 800 T HA -0.169 4.183 4.350 0.004 0.000 0.267 800 T C 1.926 176.690 174.700 0.106 0.000 1.039 800 T CA 1.298 63.429 62.100 0.052 0.000 1.142 800 T CB -0.370 68.496 68.868 -0.002 0.000 0.866 800 T HN 0.461 nan 8.240 nan 0.000 0.444 801 A N 0.781 123.644 122.820 0.071 0.000 1.902 801 A HA -0.180 4.143 4.320 0.004 0.000 0.217 801 A C 2.004 179.642 177.584 0.089 0.000 1.181 801 A CA 2.090 54.156 52.037 0.049 0.000 0.623 801 A CB -1.024 17.983 19.000 0.012 0.000 0.818 801 A HN 0.712 nan 8.150 nan 0.000 0.443 802 H N -2.476 116.611 119.070 0.029 0.000 2.293 802 H HA -0.169 4.389 4.556 0.004 0.000 0.300 802 H C 1.873 177.226 175.328 0.042 0.000 1.082 802 H CA 1.838 57.905 56.048 0.031 0.000 1.308 802 H CB -0.207 29.579 29.762 0.040 0.000 1.375 802 H HN 0.514 nan 8.280 nan 0.000 0.495 803 F N 1.519 121.527 119.950 0.096 0.000 2.095 803 F HA -0.235 4.295 4.527 0.004 0.000 0.298 803 F C 1.908 177.726 175.800 0.030 0.000 1.104 803 F CA 1.806 59.809 58.000 0.004 0.000 1.232 803 F CB -0.284 38.639 39.000 -0.127 0.000 0.987 803 F HN 0.198 nan 8.300 nan 0.000 0.475 804 D N 0.458 120.878 120.400 0.034 0.000 2.117 804 D HA -0.148 4.494 4.640 0.004 0.000 0.197 804 D C 2.378 178.580 176.300 -0.162 0.000 0.987 804 D CA 1.567 55.524 54.000 -0.072 0.000 0.829 804 D CB -0.685 40.125 40.800 0.017 0.000 0.961 804 D HN 0.394 nan 8.370 nan 0.000 0.460 805 A N 0.445 123.207 122.820 -0.096 0.000 1.930 805 A HA -0.095 4.227 4.320 0.004 0.000 0.217 805 A C 2.512 180.026 177.584 -0.117 0.000 1.175 805 A CA 0.995 52.974 52.037 -0.096 0.000 0.627 805 A CB -0.622 18.336 19.000 -0.070 0.000 0.815 805 A HN 0.132 nan 8.150 nan 0.000 0.443 806 V N 0.297 120.148 119.914 -0.105 0.000 2.261 806 V HA -0.272 3.851 4.120 0.004 0.000 0.246 806 V C 2.674 178.625 176.094 -0.237 0.000 1.047 806 V CA 2.336 64.569 62.300 -0.112 0.000 1.015 806 V CB -0.820 31.021 31.823 0.030 0.000 0.642 806 V HN 0.709 nan 8.190 nan 0.000 0.446 807 R N 0.293 120.538 120.500 -0.424 0.000 2.081 807 R HA -0.214 4.129 4.340 0.004 0.000 0.235 807 R C 2.488 178.628 176.300 -0.266 0.000 1.131 807 R CA 2.043 57.895 56.100 -0.413 0.000 0.960 807 R CB -0.324 29.595 30.300 -0.636 0.000 0.856 807 R HN 0.447 nan 8.270 nan 0.000 0.436 808 R N 0.556 120.920 120.500 -0.227 0.000 2.120 808 R HA -0.174 4.168 4.340 0.004 0.000 0.234 808 R C 2.138 178.350 176.300 -0.147 0.000 1.123 808 R CA 2.010 58.012 56.100 -0.163 0.000 0.975 808 R CB -0.159 30.058 30.300 -0.137 0.000 0.866 808 R HN 0.425 nan 8.270 nan 0.000 0.446 809 E N -0.050 120.058 120.200 -0.154 0.000 2.112 809 E HA -0.149 4.203 4.350 0.004 0.000 0.190 809 E C 1.715 178.210 176.600 -0.176 0.000 0.979 809 E CA 0.924 57.242 56.400 -0.135 0.000 0.814 809 E CB 0.024 29.654 29.700 -0.117 0.000 0.762 809 E HN 0.324 nan 8.360 nan 0.000 0.460 810 I N 1.029 121.454 120.570 -0.242 0.000 2.252 810 I HA -0.275 3.898 4.170 0.004 0.000 0.245 810 I C 2.372 178.301 176.117 -0.314 0.000 1.102 810 I CA 0.975 62.059 61.300 -0.360 0.000 1.385 810 I CB -0.264 37.433 38.000 -0.506 0.000 1.064 810 I HN 0.235 nan 8.210 nan 0.000 0.414 811 M N -0.097 119.369 119.600 -0.224 0.000 2.082 811 M HA -0.179 4.304 4.480 0.004 0.000 0.258 811 M C 2.182 178.411 176.300 -0.119 0.000 1.069 811 M CA 2.305 57.510 55.300 -0.158 0.000 1.102 811 M CB -2.017 30.510 32.600 -0.122 0.000 1.336 811 M HN 0.448 nan 8.290 nan 0.000 0.404 812 T N -1.647 112.852 114.554 -0.091 0.000 3.272 812 T HA 0.327 4.680 4.350 0.004 0.000 0.250 812 T C 0.657 175.368 174.700 0.019 0.000 1.082 812 T CA -0.260 61.836 62.100 -0.006 0.000 0.968 812 T CB -0.829 68.046 68.868 0.011 0.000 1.015 812 T HN 0.163 nan 8.240 nan 0.000 0.563 813 L N 3.007 124.171 121.223 -0.098 0.000 2.540 813 L HA 0.240 4.582 4.340 0.004 0.000 0.276 813 L C -1.843 174.891 176.870 -0.227 0.000 1.212 813 L CA -1.791 52.954 54.840 -0.159 0.000 0.893 813 L CB 0.020 41.979 42.059 -0.167 0.000 1.138 813 L HN 0.097 nan 8.230 nan 0.000 0.491 814 P HA 0.150 nan 4.420 nan 0.000 0.271 814 P C -0.983 176.174 177.300 -0.239 0.000 1.226 814 P CA 0.024 62.824 63.100 -0.500 0.000 0.765 814 P CB 0.591 31.859 31.700 -0.720 0.000 0.835 815 R N 2.135 122.533 120.500 -0.171 0.000 2.621 815 R HA 0.275 4.618 4.340 0.004 0.000 0.292 815 R C -0.059 176.185 176.300 -0.093 0.000 0.969 815 R CA -0.816 55.218 56.100 -0.110 0.000 0.887 815 R CB 1.992 32.236 30.300 -0.093 0.000 1.180 815 R HN 0.471 nan 8.270 nan 0.000 0.450 816 E N 1.227 121.392 120.200 -0.057 0.000 2.415 816 E HA -0.025 4.328 4.350 0.004 0.000 0.260 816 E C 0.951 177.538 176.600 -0.021 0.000 1.016 816 E CA 0.005 56.384 56.400 -0.035 0.000 0.924 816 E CB 0.865 30.555 29.700 -0.017 0.000 0.961 816 E HN 0.840 nan 8.360 nan 0.000 0.459 817 G N 3.987 112.772 108.800 -0.024 0.000 2.480 817 G HA2 -0.329 3.633 3.960 0.004 0.000 0.216 817 G HA3 -0.329 3.633 3.960 0.004 0.000 0.216 817 G C 1.411 176.351 174.900 0.068 0.000 1.200 817 G CA 0.703 45.797 45.100 -0.011 0.000 0.782 817 G HN 0.461 nan 8.290 nan 0.000 0.554 818 K N -0.332 120.101 120.400 0.055 0.000 2.097 818 K HA -0.057 4.265 4.320 0.004 0.000 0.205 818 K C 2.692 179.319 176.600 0.045 0.000 1.050 818 K CA 1.473 57.793 56.287 0.055 0.000 0.938 818 K CB -0.245 32.278 32.500 0.037 0.000 0.718 818 K HN 0.278 nan 8.250 nan 0.000 0.442 819 T N 2.098 116.675 114.554 0.037 0.000 2.665 819 T HA -0.202 4.151 4.350 0.004 0.000 0.268 819 T C 1.671 176.403 174.700 0.054 0.000 1.035 819 T CA 1.558 63.680 62.100 0.036 0.000 1.151 819 T CB -0.252 68.632 68.868 0.026 0.000 0.862 819 T HN 0.212 nan 8.240 nan 0.000 0.438 820 L N 0.991 122.258 121.223 0.073 0.000 2.083 820 L HA -0.046 4.297 4.340 0.004 0.000 0.209 820 L C 2.521 179.472 176.870 0.136 0.000 1.083 820 L CA 1.819 56.729 54.840 0.117 0.000 0.752 820 L CB -0.734 41.401 42.059 0.126 0.000 0.899 820 L HN 0.245 nan 8.230 nan 0.000 0.433 821 Q N -1.153 118.720 119.800 0.122 0.000 2.079 821 Q HA -0.192 4.150 4.340 0.004 0.000 0.200 821 Q C 1.964 177.902 176.000 -0.105 0.000 0.974 821 Q CA 2.210 57.951 55.803 -0.103 0.000 0.840 821 Q CB -0.119 28.582 28.738 -0.062 0.000 0.898 821 Q HN 0.579 nan 8.270 nan 0.000 0.430 822 T N 1.155 115.698 114.554 -0.017 0.000 2.720 822 T HA -0.173 4.180 4.350 0.004 0.000 0.268 822 T C 1.436 176.157 174.700 0.035 0.000 1.037 822 T CA 1.670 63.773 62.100 0.005 0.000 1.144 822 T CB -0.159 68.720 68.868 0.019 0.000 0.864 822 T HN 0.415 nan 8.240 nan 0.000 0.444 823 E N 0.154 120.387 120.200 0.055 0.000 2.077 823 E HA -0.089 4.263 4.350 0.004 0.000 0.193 823 E C 2.367 179.043 176.600 0.126 0.000 0.989 823 E CA 0.993 57.445 56.400 0.087 0.000 0.800 823 E CB -0.137 29.623 29.700 0.099 0.000 0.746 823 E HN 0.263 nan 8.360 nan 0.000 0.452 824 V N 1.012 120.995 119.914 0.116 0.000 2.379 824 V HA -0.215 3.907 4.120 0.004 0.000 0.245 824 V C 2.409 178.675 176.094 0.286 0.000 1.044 824 V CA 1.713 64.135 62.300 0.202 0.000 1.036 824 V CB -0.451 31.440 31.823 0.114 0.000 0.664 824 V HN 0.182 nan 8.190 nan 0.000 0.453 825 R N 0.469 121.048 120.500 0.132 0.000 2.073 825 R HA -0.244 4.099 4.340 0.004 0.000 0.234 825 R C 2.439 178.871 176.300 0.220 0.000 1.134 825 R CA 2.188 58.424 56.100 0.226 0.000 0.952 825 R CB -0.369 29.979 30.300 0.080 0.000 0.850 825 R HN 0.725 nan 8.270 nan 0.000 0.433 826 E N -0.089 120.193 120.200 0.136 0.000 2.118 826 E HA -0.271 4.081 4.350 0.004 0.000 0.195 826 E C 1.891 178.548 176.600 0.095 0.000 0.992 826 E CA 1.512 57.969 56.400 0.095 0.000 0.804 826 E CB -0.115 29.621 29.700 0.060 0.000 0.741 826 E HN 0.256 nan 8.360 nan 0.000 0.458 827 M N 0.789 120.480 119.600 0.152 0.000 2.123 827 M HA -0.027 4.455 4.480 0.004 0.000 0.263 827 M C 2.263 178.637 176.300 0.125 0.000 1.069 827 M CA 1.515 56.909 55.300 0.155 0.000 1.133 827 M CB -0.411 32.353 32.600 0.272 0.000 1.356 827 M HN -0.003 nan 8.290 nan 0.000 0.415 828 R N 0.494 121.093 120.500 0.164 0.000 2.112 828 R HA -0.174 4.169 4.340 0.004 0.000 0.242 828 R C 1.939 178.148 176.300 -0.152 0.000 1.137 828 R CA 2.383 58.366 56.100 -0.195 0.000 0.944 828 R CB -0.650 29.595 30.300 -0.092 0.000 0.857 828 R HN 0.577 nan 8.270 nan 0.000 0.435 829 E N -0.490 119.694 120.200 -0.025 0.000 2.072 829 E HA -0.221 4.132 4.350 0.004 0.000 0.191 829 E C 1.840 178.425 176.600 -0.025 0.000 0.985 829 E CA 1.402 57.782 56.400 -0.033 0.000 0.801 829 E CB -0.108 29.606 29.700 0.023 0.000 0.750 829 E HN 0.162 nan 8.360 nan 0.000 0.452 830 K N 1.210 121.603 120.400 -0.011 0.000 2.026 830 K HA -0.130 4.193 4.320 0.004 0.000 0.208 830 K C 1.936 178.532 176.600 -0.006 0.000 1.048 830 K CA 1.434 57.721 56.287 -0.001 0.000 0.929 830 K CB -0.157 32.310 32.500 -0.055 0.000 0.713 830 K HN 0.023 nan 8.250 nan 0.000 0.439 831 M N -0.012 119.542 119.600 -0.077 0.000 2.149 831 M HA -0.157 4.326 4.480 0.004 0.000 0.261 831 M C 2.424 178.694 176.300 -0.049 0.000 1.064 831 M CA 1.767 57.015 55.300 -0.088 0.000 1.102 831 M CB -0.249 32.273 32.600 -0.131 0.000 1.369 831 M HN 0.136 nan 8.290 nan 0.000 0.408 832 R N 0.170 120.618 120.500 -0.086 0.000 2.148 832 R HA -0.039 4.303 4.340 0.004 0.000 0.223 832 R C 2.054 178.324 176.300 -0.050 0.000 1.088 832 R CA 1.192 57.234 56.100 -0.096 0.000 0.985 832 R CB -0.119 30.093 30.300 -0.146 0.000 0.880 832 R HN 0.379 nan 8.270 nan 0.000 0.451 833 A N -0.500 122.321 122.820 0.000 0.000 2.119 833 A HA -0.108 4.215 4.320 0.004 0.000 0.217 833 A C 1.249 178.769 177.584 -0.107 0.000 1.153 833 A CA 0.972 52.988 52.037 -0.035 0.000 0.692 833 A CB -0.269 18.723 19.000 -0.013 0.000 0.799 833 A HN 0.424 nan 8.150 nan 0.000 0.458 834 H N -2.797 116.221 119.070 -0.087 0.000 2.874 834 H HA 0.341 4.899 4.556 0.003 0.000 0.264 834 H C -0.868 174.413 175.328 -0.079 0.000 1.007 834 H CA -0.159 55.840 56.048 -0.080 0.000 1.207 834 H CB 0.652 30.366 29.762 -0.079 0.000 1.487 834 H HN 0.262 nan 8.280 nan 0.000 0.505 835 L N 0.108 121.344 121.223 0.022 0.000 2.370 835 L HA 0.506 4.849 4.340 0.004 0.000 0.266 835 L C 0.494 177.336 176.870 -0.048 0.000 1.002 835 L CA 0.266 55.098 54.840 -0.014 0.000 0.818 835 L CB 1.992 44.036 42.059 -0.024 0.000 1.325 835 L HN 0.413 nan 8.230 nan 0.000 0.418 836 G N 2.002 110.775 108.800 -0.045 0.000 2.795 836 G HA2 -0.216 3.746 3.960 0.004 0.000 0.664 836 G HA3 -0.216 3.746 3.960 0.004 0.000 0.664 836 G C -0.456 174.402 174.900 -0.071 0.000 1.381 836 G CA -0.479 44.588 45.100 -0.055 0.000 0.853 836 G HN 0.864 nan 8.290 nan 0.000 0.545 837 N N 0.664 119.316 118.700 -0.080 0.000 2.454 837 N HA 0.061 4.803 4.740 0.004 0.000 0.260 837 N C 1.510 176.920 175.510 -0.166 0.000 1.218 837 N CA 0.784 53.746 53.050 -0.146 0.000 0.904 837 N CB 0.548 38.878 38.487 -0.262 0.000 1.065 837 N HN 0.822 nan 8.380 nan 0.000 0.462 838 K N 2.784 123.030 120.400 -0.257 0.000 2.372 838 K HA 0.079 4.402 4.320 0.004 0.000 0.200 838 K C -0.348 176.057 176.600 -0.326 0.000 1.022 838 K CA -0.144 55.977 56.287 -0.277 0.000 1.125 838 K CB 0.122 32.442 32.500 -0.299 0.000 0.855 838 K HN 0.481 nan 8.250 nan 0.000 0.524 839 H N 1.839 120.842 119.070 -0.112 0.000 2.548 839 H HA 0.199 4.757 4.556 0.005 0.000 0.331 839 H C 0.663 175.960 175.328 -0.051 0.000 1.093 839 H CA -0.104 55.892 56.048 -0.086 0.000 1.367 839 H CB 1.728 31.424 29.762 -0.111 0.000 1.455 839 H HN 0.080 nan 8.280 nan 0.000 0.519 840 R N 0.924 121.483 120.500 0.097 0.000 2.096 840 R HA -0.115 4.227 4.340 0.004 0.000 0.235 840 R C 1.106 177.447 176.300 0.067 0.000 1.127 840 R CA 1.640 57.774 56.100 0.057 0.000 0.968 840 R CB 0.096 30.421 30.300 0.041 0.000 0.861 840 R HN 0.655 nan 8.270 nan 0.000 0.440 841 D N 0.104 120.549 120.400 0.074 0.000 2.328 841 D HA -0.037 4.606 4.640 0.004 0.000 0.226 841 D C 0.023 176.376 176.300 0.089 0.000 1.066 841 D CA 0.282 54.319 54.000 0.061 0.000 0.861 841 D CB 0.233 41.053 40.800 0.034 0.000 0.912 841 D HN -0.057 nan 8.370 nan 0.000 0.521 842 R N 0.161 120.726 120.500 0.109 0.000 2.854 842 R HA 0.447 4.789 4.340 0.004 0.000 0.271 842 R C -1.157 175.276 176.300 0.221 0.000 0.996 842 R CA -0.937 55.256 56.100 0.154 0.000 0.961 842 R CB 1.102 31.452 30.300 0.083 0.000 1.182 842 R HN 0.033 nan 8.270 nan 0.000 0.479 843 F N 2.103 122.120 119.950 0.112 0.000 2.347 843 F HA 0.223 4.752 4.527 0.003 0.000 0.366 843 F C -0.178 175.707 175.800 0.141 0.000 1.107 843 F CA -1.481 56.583 58.000 0.106 0.000 1.058 843 F CB 0.787 39.861 39.000 0.125 0.000 1.236 843 F HN 0.347 nan 8.300 nan 0.000 0.456 844 D N 6.525 126.764 120.400 -0.269 0.000 2.346 844 D HA 0.061 4.703 4.640 0.004 0.000 0.260 844 D C 1.549 177.322 176.300 -0.879 0.000 1.252 844 D CA 0.343 54.116 54.000 -0.379 0.000 0.895 844 D CB 0.728 41.431 40.800 -0.161 0.000 1.097 844 D HN 0.721 nan 8.370 nan 0.000 0.489 845 I N 3.837 123.890 120.570 -0.861 0.000 2.226 845 I HA -0.250 3.922 4.170 0.004 0.000 0.245 845 I C 2.503 178.376 176.117 -0.406 0.000 1.100 845 I CA 1.042 61.814 61.300 -0.880 0.000 1.374 845 I CB 0.011 37.780 38.000 -0.386 0.000 1.057 845 I HN 0.401 nan 8.210 nan 0.000 0.413 846 K N 0.777 121.024 120.400 -0.255 0.000 2.044 846 K HA -0.068 4.255 4.320 0.004 0.000 0.204 846 K C 2.054 178.592 176.600 -0.104 0.000 1.049 846 K CA 1.370 57.584 56.287 -0.121 0.000 0.945 846 K CB -0.009 32.444 32.500 -0.079 0.000 0.724 846 K HN 0.267 nan 8.250 nan 0.000 0.440 847 A N 0.655 123.394 122.820 -0.135 0.000 2.044 847 A HA 0.069 4.391 4.320 0.004 0.000 0.213 847 A C 0.285 177.809 177.584 -0.099 0.000 1.169 847 A CA 0.242 52.213 52.037 -0.110 0.000 0.724 847 A CB 0.008 18.952 19.000 -0.094 0.000 0.840 847 A HN 0.254 nan 8.150 nan 0.000 0.463 848 D N 0.965 121.334 120.400 -0.051 0.000 2.377 848 D HA 0.210 4.852 4.640 0.004 0.000 0.245 848 D C -0.086 176.260 176.300 0.078 0.000 1.196 848 D CA -0.221 53.816 54.000 0.062 0.000 0.962 848 D CB 0.281 41.233 40.800 0.254 0.000 1.127 848 D HN 0.299 nan 8.370 nan 0.000 0.471 849 E N -0.038 120.166 120.200 0.007 0.000 2.585 849 E HA 0.215 4.567 4.350 0.004 0.000 0.252 849 E C 0.744 177.347 176.600 0.005 0.000 0.981 849 E CA 0.518 56.867 56.400 -0.085 0.000 0.943 849 E CB 0.185 29.826 29.700 -0.099 0.000 0.923 849 E HN 0.710 nan 8.360 nan 0.000 0.486 850 G N 2.698 111.487 108.800 -0.019 0.000 2.131 850 G HA2 -0.210 3.752 3.960 0.004 0.000 0.223 850 G HA3 -0.210 3.752 3.960 0.004 0.000 0.223 850 G C 0.418 175.419 174.900 0.168 0.000 0.990 850 G CA -0.236 44.889 45.100 0.042 0.000 0.671 850 G HN 0.783 nan 8.290 nan 0.000 0.521 851 G N -0.946 107.984 108.800 0.216 0.000 2.828 851 G HA2 0.662 4.625 3.960 0.004 0.000 0.244 851 G HA3 0.662 4.625 3.960 0.004 0.000 0.244 851 G C 1.200 176.179 174.900 0.132 0.000 1.365 851 G CA -0.263 44.991 45.100 0.258 0.000 1.041 851 G HN 0.288 nan 8.290 nan 0.000 0.560 852 I N -0.350 120.275 120.570 0.092 0.000 2.252 852 I HA -0.143 4.030 4.170 0.004 0.000 0.245 852 I C 2.950 179.163 176.117 0.161 0.000 1.102 852 I CA 1.338 62.729 61.300 0.151 0.000 1.385 852 I CB -0.146 37.924 38.000 0.116 0.000 1.064 852 I HN 0.394 nan 8.210 nan 0.000 0.414 853 T N -0.063 114.539 114.554 0.081 0.000 2.867 853 T HA -0.164 4.188 4.350 0.004 0.000 0.268 853 T C 1.443 176.193 174.700 0.083 0.000 1.057 853 T CA 1.365 63.517 62.100 0.087 0.000 1.136 853 T CB -0.299 68.542 68.868 -0.044 0.000 0.874 853 T HN 0.277 nan 8.240 nan 0.000 0.466 854 D N 1.068 121.451 120.400 -0.027 0.000 2.116 854 D HA -0.051 4.591 4.640 0.004 0.000 0.193 854 D C 1.969 178.457 176.300 0.314 0.000 0.998 854 D CA 0.886 54.885 54.000 -0.002 0.000 0.836 854 D CB -0.359 40.373 40.800 -0.114 0.000 0.951 854 D HN 0.369 nan 8.370 nan 0.000 0.449 855 I N 0.672 121.392 120.570 0.250 0.000 2.252 855 I HA -0.206 3.967 4.170 0.004 0.000 0.245 855 I C 2.419 178.670 176.117 0.223 0.000 1.102 855 I CA 0.979 62.424 61.300 0.241 0.000 1.385 855 I CB -0.214 37.903 38.000 0.195 0.000 1.064 855 I HN 0.043 nan 8.210 nan 0.000 0.414 856 E N 0.967 121.314 120.200 0.245 0.000 2.110 856 E HA -0.245 4.107 4.350 0.004 0.000 0.193 856 E C 2.144 178.936 176.600 0.320 0.000 0.988 856 E CA 1.529 58.067 56.400 0.230 0.000 0.804 856 E CB -0.046 29.822 29.700 0.280 0.000 0.745 856 E HN 0.362 nan 8.360 nan 0.000 0.458 857 F N 0.679 120.763 119.950 0.223 0.000 2.259 857 F HA 0.014 4.541 4.527 0.000 0.000 0.298 857 F C 2.106 178.078 175.800 0.287 0.000 1.088 857 F CA 0.657 58.831 58.000 0.290 0.000 1.358 857 F CB -0.110 39.150 39.000 0.433 0.000 1.040 857 F HN 0.041 nan 8.300 nan 0.000 0.505 858 I N -0.327 120.529 120.570 0.477 0.000 2.179 858 I HA -0.346 3.827 4.170 0.004 0.000 0.242 858 I C 2.596 178.792 176.117 0.132 0.000 1.088 858 I CA 1.956 63.429 61.300 0.288 0.000 1.357 858 I CB -0.818 37.345 38.000 0.271 0.000 1.051 858 I HN 0.217 nan 8.210 nan 0.000 0.409 859 T N -1.439 113.165 114.554 0.083 0.000 2.777 859 T HA -0.218 4.135 4.350 0.004 0.000 0.266 859 T C 1.800 176.496 174.700 -0.008 0.000 1.040 859 T CA 1.213 63.307 62.100 -0.009 0.000 1.141 859 T CB -0.494 68.355 68.868 -0.033 0.000 0.868 859 T HN 0.389 nan 8.240 nan 0.000 0.444 860 Q N -0.279 119.535 119.800 0.023 0.000 2.084 860 Q HA -0.072 4.271 4.340 0.004 0.000 0.202 860 Q C 2.116 178.122 176.000 0.010 0.000 0.978 860 Q CA 1.689 57.485 55.803 -0.012 0.000 0.844 860 Q CB -0.475 28.217 28.738 -0.076 0.000 0.898 860 Q HN 0.690 nan 8.270 nan 0.000 0.426 861 Y N 1.562 121.823 120.300 -0.064 0.000 2.081 861 Y HA -0.277 4.276 4.550 0.005 0.000 0.280 861 Y C 1.766 177.616 175.900 -0.083 0.000 1.163 861 Y CA 1.631 59.694 58.100 -0.062 0.000 1.135 861 Y CB -0.457 37.980 38.460 -0.040 0.000 0.970 861 Y HN 0.015 nan 8.280 nan 0.000 0.498 862 L N -1.099 119.914 121.223 -0.351 0.000 2.083 862 L HA -0.206 4.137 4.340 0.004 0.000 0.209 862 L C 2.395 179.145 176.870 -0.199 0.000 1.083 862 L CA 1.078 55.682 54.840 -0.393 0.000 0.752 862 L CB -0.708 41.148 42.059 -0.338 0.000 0.899 862 L HN 0.146 nan 8.230 nan 0.000 0.433 863 V N 0.081 119.912 119.914 -0.138 0.000 2.343 863 V HA -0.274 3.849 4.120 0.004 0.000 0.247 863 V C 2.343 178.369 176.094 -0.114 0.000 1.051 863 V CA 1.571 63.818 62.300 -0.088 0.000 1.036 863 V CB -0.368 31.419 31.823 -0.061 0.000 0.654 863 V HN 0.360 nan 8.190 nan 0.000 0.451 864 L N -0.460 120.678 121.223 -0.142 0.000 2.141 864 L HA -0.124 4.219 4.340 0.004 0.000 0.209 864 L C 2.674 179.416 176.870 -0.214 0.000 1.094 864 L CA 1.511 56.271 54.840 -0.133 0.000 0.763 864 L CB -0.526 41.492 42.059 -0.068 0.000 0.908 864 L HN 0.274 nan 8.230 nan 0.000 0.437 865 R N -0.789 119.475 120.500 -0.392 0.000 2.093 865 R HA -0.134 4.209 4.340 0.004 0.000 0.224 865 R C 1.578 177.498 176.300 -0.633 0.000 1.101 865 R CA 1.390 57.113 56.100 -0.627 0.000 0.979 865 R CB 0.105 29.753 30.300 -1.087 0.000 0.877 865 R HN 0.231 nan 8.270 nan 0.000 0.441 866 Y N -1.407 118.803 120.300 -0.149 0.000 2.453 866 Y HA 0.405 4.956 4.550 0.002 0.000 0.247 866 Y C 1.675 177.535 175.900 -0.066 0.000 1.124 866 Y CA -0.111 57.931 58.100 -0.098 0.000 1.243 866 Y CB 0.445 38.827 38.460 -0.130 0.000 1.213 866 Y HN 0.117 nan 8.280 nan 0.000 0.523 867 A N -0.297 122.543 122.820 0.033 0.000 1.978 867 A HA -0.283 4.039 4.320 0.004 0.000 0.220 867 A C 1.883 179.484 177.584 0.029 0.000 1.170 867 A CA 2.210 54.253 52.037 0.010 0.000 0.636 867 A CB -0.879 18.101 19.000 -0.033 0.000 0.810 867 A HN 0.564 nan 8.150 nan 0.000 0.448 868 H N -0.023 119.017 119.070 -0.051 0.000 2.390 868 H HA -0.119 4.440 4.556 0.004 0.000 0.298 868 H C 1.862 177.179 175.328 -0.017 0.000 1.106 868 H CA 2.228 58.249 56.048 -0.045 0.000 1.297 868 H CB -0.001 29.728 29.762 -0.055 0.000 1.375 868 H HN 0.641 nan 8.280 nan 0.000 0.509 869 E N -0.830 119.360 120.200 -0.018 0.000 2.190 869 E HA 0.022 4.375 4.350 0.004 0.000 0.191 869 E C 0.006 176.574 176.600 -0.054 0.000 0.978 869 E CA 0.436 56.805 56.400 -0.051 0.000 0.839 869 E CB 0.549 30.298 29.700 0.082 0.000 0.787 869 E HN 0.165 nan 8.360 nan 0.000 0.473 870 K N 0.713 121.101 120.400 -0.021 0.000 2.827 870 K HA 0.200 4.522 4.320 0.004 0.000 0.186 870 K C -2.406 174.170 176.600 -0.040 0.000 1.093 870 K CA -1.529 54.738 56.287 -0.034 0.000 0.993 870 K CB 1.464 33.949 32.500 -0.025 0.000 1.199 870 K HN -0.093 nan 8.250 nan 0.000 0.598 871 P HA -0.117 nan 4.420 nan 0.000 0.221 871 P C 0.749 178.008 177.300 -0.068 0.000 1.145 871 P CA 1.009 64.070 63.100 -0.066 0.000 0.795 871 P CB 0.313 31.966 31.700 -0.078 0.000 0.775 872 K N -0.472 119.891 120.400 -0.062 0.000 2.360 872 K HA -0.042 4.280 4.320 0.004 0.000 0.201 872 K C 1.774 178.343 176.600 -0.053 0.000 1.046 872 K CA 0.673 56.923 56.287 -0.063 0.000 0.945 872 K CB -0.580 31.893 32.500 -0.045 0.000 0.750 872 K HN 0.237 nan 8.250 nan 0.000 0.464 873 L N 1.027 122.226 121.223 -0.041 0.000 2.450 873 L HA -0.134 4.208 4.340 0.004 0.000 0.224 873 L C 2.313 179.162 176.870 -0.035 0.000 1.149 873 L CA 1.242 56.066 54.840 -0.027 0.000 0.816 873 L CB -0.811 41.233 42.059 -0.024 0.000 0.932 873 L HN 0.368 nan 8.230 nan 0.000 0.449 874 T N -4.411 110.103 114.554 -0.067 0.000 3.100 874 T HA -0.011 4.341 4.350 0.004 0.000 0.253 874 T C 1.815 176.441 174.700 -0.122 0.000 1.118 874 T CA -0.098 61.952 62.100 -0.084 0.000 1.058 874 T CB -0.053 68.752 68.868 -0.105 0.000 0.953 874 T HN 0.264 nan 8.240 nan 0.000 0.515 875 R N -0.455 119.938 120.500 -0.177 0.000 2.189 875 R HA 0.112 4.454 4.340 0.004 0.000 0.223 875 R C -0.216 175.707 176.300 -0.629 0.000 1.092 875 R CA 0.671 56.516 56.100 -0.425 0.000 0.989 875 R CB 0.019 30.024 30.300 -0.490 0.000 0.876 875 R HN 0.484 nan 8.270 nan 0.000 0.457 876 W N -1.415 119.874 121.300 -0.018 0.000 3.031 876 W HA 0.152 4.813 4.660 0.003 0.000 0.337 876 W C 0.686 177.205 176.519 -0.000 0.000 1.187 876 W CA -0.774 56.566 57.345 -0.008 0.000 1.166 876 W CB 1.404 30.844 29.460 -0.033 0.000 1.437 876 W HN -0.213 nan 8.180 nan 0.000 0.551 877 S N -1.361 114.533 115.700 0.322 0.000 2.603 877 S HA 0.067 4.539 4.470 0.004 0.000 0.232 877 S C -0.246 174.450 174.600 0.160 0.000 1.016 877 S CA -0.381 57.928 58.200 0.181 0.000 0.976 877 S CB -0.305 62.982 63.200 0.145 0.000 0.921 877 S HN 0.485 nan 8.310 nan 0.000 0.516 878 D N 1.127 121.634 120.400 0.177 0.000 2.268 878 D HA 0.291 4.934 4.640 0.004 0.000 0.249 878 D C 0.042 176.329 176.300 -0.022 0.000 1.008 878 D CA -0.756 53.309 54.000 0.108 0.000 0.939 878 D CB 0.808 41.699 40.800 0.151 0.000 1.170 878 D HN -0.152 nan 8.370 nan 0.000 0.468 879 N N 0.312 118.918 118.700 -0.156 0.000 2.120 879 N HA -0.114 4.629 4.740 0.004 0.000 0.188 879 N C 1.904 177.274 175.510 -0.234 0.000 1.024 879 N CA 0.694 53.547 53.050 -0.329 0.000 0.852 879 N CB -0.487 37.482 38.487 -0.863 0.000 1.003 879 N HN 0.291 nan 8.380 nan 0.000 0.424 880 V N 1.514 121.332 119.914 -0.160 0.000 2.295 880 V HA -0.186 3.936 4.120 0.004 0.000 0.246 880 V C 2.319 178.352 176.094 -0.101 0.000 1.049 880 V CA 1.607 63.863 62.300 -0.072 0.000 1.024 880 V CB -0.334 31.490 31.823 0.002 0.000 0.648 880 V HN 0.279 nan 8.190 nan 0.000 0.447 881 R N -0.744 119.669 120.500 -0.144 0.000 2.148 881 R HA 0.052 4.394 4.340 0.004 0.000 0.223 881 R C 2.219 178.512 176.300 -0.012 0.000 1.088 881 R CA 1.073 57.071 56.100 -0.169 0.000 0.985 881 R CB -0.278 29.749 30.300 -0.455 0.000 0.880 881 R HN 0.452 nan 8.270 nan 0.000 0.451 882 I N 0.526 121.100 120.570 0.007 0.000 2.226 882 I HA -0.287 3.885 4.170 0.004 0.000 0.245 882 I C 1.899 178.004 176.117 -0.021 0.000 1.100 882 I CA 0.925 62.236 61.300 0.018 0.000 1.374 882 I CB -0.150 37.847 38.000 -0.005 0.000 1.057 882 I HN 0.116 nan 8.210 nan 0.000 0.413 883 L N 0.582 121.777 121.223 -0.048 0.000 2.046 883 L HA -0.224 4.119 4.340 0.004 0.000 0.208 883 L C 2.434 179.288 176.870 -0.027 0.000 1.077 883 L CA 1.726 56.539 54.840 -0.045 0.000 0.747 883 L CB -1.248 40.786 42.059 -0.041 0.000 0.896 883 L HN 0.295 nan 8.230 nan 0.000 0.432 884 E N -0.433 119.753 120.200 -0.023 0.000 2.049 884 E HA -0.258 4.095 4.350 0.004 0.000 0.198 884 E C 2.353 178.956 176.600 0.005 0.000 1.007 884 E CA 1.486 57.879 56.400 -0.012 0.000 0.809 884 E CB -0.148 29.534 29.700 -0.029 0.000 0.749 884 E HN 0.399 nan 8.360 nan 0.000 0.450 885 L N 0.295 121.535 121.223 0.028 0.000 2.079 885 L HA -0.224 4.118 4.340 0.004 0.000 0.210 885 L C 2.438 179.303 176.870 -0.009 0.000 1.081 885 L CA 0.420 55.283 54.840 0.037 0.000 0.752 885 L CB -0.305 41.799 42.059 0.075 0.000 0.896 885 L HN 0.258 nan 8.230 nan 0.000 0.433 886 L N -0.436 120.767 121.223 -0.033 0.000 2.141 886 L HA -0.103 4.240 4.340 0.004 0.000 0.209 886 L C 2.645 179.477 176.870 -0.063 0.000 1.094 886 L CA 1.898 56.693 54.840 -0.074 0.000 0.763 886 L CB -1.399 40.593 42.059 -0.112 0.000 0.908 886 L HN 0.175 nan 8.230 nan 0.000 0.437 887 A N -1.306 121.495 122.820 -0.032 0.000 1.874 887 A HA -0.185 4.138 4.320 0.004 0.000 0.214 887 A C 2.150 179.725 177.584 -0.015 0.000 1.189 887 A CA 0.946 52.974 52.037 -0.015 0.000 0.615 887 A CB -0.370 18.630 19.000 -0.001 0.000 0.830 887 A HN 0.449 nan 8.150 nan 0.000 0.443 888 Q N 0.046 119.840 119.800 -0.009 0.000 2.181 888 Q HA -0.110 4.232 4.340 0.004 0.000 0.205 888 Q C 0.614 176.603 176.000 -0.018 0.000 0.980 888 Q CA 1.354 57.154 55.803 -0.006 0.000 0.862 888 Q CB -0.122 28.620 28.738 0.007 0.000 0.905 888 Q HN 0.603 nan 8.270 nan 0.000 0.429 889 N N 0.518 119.199 118.700 -0.032 0.000 2.273 889 N HA 0.002 4.744 4.740 0.004 0.000 0.231 889 N C -0.937 174.530 175.510 -0.071 0.000 1.134 889 N CA 0.201 53.223 53.050 -0.047 0.000 0.856 889 N CB 0.842 39.300 38.487 -0.048 0.000 1.068 889 N HN 0.116 nan 8.380 nan 0.000 0.510 890 D N 0.531 120.896 120.400 -0.059 0.000 2.837 890 D HA -0.174 4.468 4.640 0.004 0.000 0.230 890 D C 1.104 177.340 176.300 -0.106 0.000 1.152 890 D CA 0.362 54.326 54.000 -0.061 0.000 0.736 890 D CB -0.865 39.905 40.800 -0.050 0.000 1.084 890 D HN 0.332 nan 8.370 nan 0.000 0.429 891 I N -0.777 119.703 120.570 -0.150 0.000 2.400 891 I HA 0.078 4.250 4.170 0.004 0.000 0.248 891 I C 1.365 177.447 176.117 -0.059 0.000 1.109 891 I CA 0.864 62.016 61.300 -0.246 0.000 1.425 891 I CB -0.195 37.584 38.000 -0.369 0.000 1.094 891 I HN 0.167 nan 8.210 nan 0.000 0.425 892 M N 0.425 120.011 119.600 -0.023 0.000 2.465 892 M HA 0.292 4.774 4.480 0.004 0.000 0.316 892 M C -0.396 175.954 176.300 0.084 0.000 1.121 892 M CA -0.455 54.909 55.300 0.106 0.000 0.934 892 M CB 2.364 34.977 32.600 0.022 0.000 1.692 892 M HN -0.025 nan 8.290 nan 0.000 0.444 893 E N 1.538 121.810 120.200 0.120 0.000 2.398 893 E HA -0.039 4.313 4.350 0.004 0.000 0.263 893 E C 0.172 176.811 176.600 0.064 0.000 1.046 893 E CA 0.115 56.560 56.400 0.075 0.000 0.908 893 E CB 0.901 30.645 29.700 0.073 0.000 0.963 893 E HN 0.663 nan 8.360 nan 0.000 0.431 894 E N 1.377 121.602 120.200 0.042 0.000 2.085 894 E HA -0.300 4.053 4.350 0.004 0.000 0.194 894 E C 1.846 178.473 176.600 0.044 0.000 0.994 894 E CA 1.348 57.770 56.400 0.036 0.000 0.801 894 E CB 0.079 29.794 29.700 0.025 0.000 0.743 894 E HN 0.358 nan 8.360 nan 0.000 0.453 895 Q N 1.084 120.912 119.800 0.048 0.000 2.077 895 Q HA -0.260 4.082 4.340 0.004 0.000 0.206 895 Q C 1.872 177.913 176.000 0.068 0.000 0.989 895 Q CA 2.211 58.045 55.803 0.052 0.000 0.853 895 Q CB -0.212 28.554 28.738 0.047 0.000 0.907 895 Q HN 0.357 nan 8.270 nan 0.000 0.418 896 E N -1.130 119.123 120.200 0.089 0.000 2.051 896 E HA -0.176 4.177 4.350 0.004 0.000 0.192 896 E C 1.763 178.428 176.600 0.109 0.000 0.991 896 E CA 1.050 57.523 56.400 0.121 0.000 0.799 896 E CB -0.299 29.510 29.700 0.182 0.000 0.748 896 E HN 0.460 nan 8.360 nan 0.000 0.449 897 A N 0.615 123.486 122.820 0.084 0.000 1.972 897 A HA -0.168 4.154 4.320 0.004 0.000 0.219 897 A C 2.051 179.665 177.584 0.051 0.000 1.169 897 A CA 1.585 53.655 52.037 0.055 0.000 0.635 897 A CB -0.431 18.585 19.000 0.027 0.000 0.810 897 A HN 0.379 nan 8.150 nan 0.000 0.446 898 M N -0.107 119.524 119.600 0.052 0.000 2.288 898 M HA 0.169 4.651 4.480 0.004 0.000 0.266 898 M C 2.068 178.406 176.300 0.065 0.000 1.072 898 M CA 1.319 56.650 55.300 0.051 0.000 1.132 898 M CB -0.647 31.978 32.600 0.042 0.000 1.386 898 M HN 0.341 nan 8.290 nan 0.000 0.432 899 A N -0.047 122.817 122.820 0.074 0.000 1.898 899 A HA -0.057 4.265 4.320 0.004 0.000 0.216 899 A C 2.130 179.773 177.584 0.098 0.000 1.181 899 A CA 1.502 53.589 52.037 0.082 0.000 0.620 899 A CB -1.014 18.037 19.000 0.084 0.000 0.819 899 A HN 0.542 nan 8.150 nan 0.000 0.442 900 L N -0.623 120.665 121.223 0.108 0.000 2.083 900 L HA -0.164 4.178 4.340 0.004 0.000 0.209 900 L C 2.775 179.725 176.870 0.134 0.000 1.083 900 L CA 1.682 56.595 54.840 0.123 0.000 0.752 900 L CB -0.995 41.134 42.059 0.117 0.000 0.899 900 L HN 0.331 nan 8.230 nan 0.000 0.433 901 T N -0.447 114.170 114.554 0.106 0.000 2.652 901 T HA -0.214 4.139 4.350 0.004 0.000 0.267 901 T C 2.040 176.840 174.700 0.165 0.000 1.039 901 T CA 1.474 63.653 62.100 0.131 0.000 1.153 901 T CB -0.199 68.716 68.868 0.079 0.000 0.863 901 T HN 0.307 nan 8.240 nan 0.000 0.428 902 R N 0.910 121.476 120.500 0.110 0.000 2.075 902 R HA 0.072 4.415 4.340 0.004 0.000 0.232 902 R C 2.861 179.207 176.300 0.076 0.000 1.126 902 R CA 1.197 57.348 56.100 0.085 0.000 0.963 902 R CB -0.506 29.834 30.300 0.068 0.000 0.858 902 R HN 0.366 nan 8.270 nan 0.000 0.435 903 A N 0.766 123.642 122.820 0.094 0.000 1.877 903 A HA -0.237 4.085 4.320 0.004 0.000 0.216 903 A C 2.014 179.640 177.584 0.070 0.000 1.186 903 A CA 1.339 53.419 52.037 0.072 0.000 0.620 903 A CB -0.791 18.267 19.000 0.097 0.000 0.822 903 A HN 0.459 nan 8.150 nan 0.000 0.443 904 Y N 1.947 122.255 120.300 0.013 0.000 2.097 904 Y HA -0.276 4.276 4.550 0.004 0.000 0.282 904 Y C 2.897 178.789 175.900 -0.013 0.000 1.152 904 Y CA 2.877 60.981 58.100 0.007 0.000 1.136 904 Y CB -0.868 37.610 38.460 0.031 0.000 0.975 904 Y HN 0.442 nan 8.280 nan 0.000 0.498 905 T N -3.554 110.944 114.554 -0.093 0.000 2.821 905 T HA -0.155 4.197 4.350 0.004 0.000 0.267 905 T C 1.809 176.402 174.700 -0.178 0.000 1.046 905 T CA 1.760 63.740 62.100 -0.200 0.000 1.139 905 T CB -1.120 67.742 68.868 -0.010 0.000 0.871 905 T HN 0.381 nan 8.240 nan 0.000 0.454 906 T N 2.402 116.886 114.554 -0.116 0.000 2.708 906 T HA 0.095 4.448 4.350 0.004 0.000 0.266 906 T C 1.886 176.426 174.700 -0.265 0.000 1.037 906 T CA 1.296 63.324 62.100 -0.120 0.000 1.146 906 T CB -0.471 68.355 68.868 -0.071 0.000 0.865 906 T HN 0.307 nan 8.240 nan 0.000 0.435 907 L N 0.433 121.453 121.223 -0.339 0.000 2.072 907 L HA 0.008 4.351 4.340 0.004 0.000 0.205 907 L C 2.902 179.570 176.870 -0.336 0.000 1.079 907 L CA 1.131 55.724 54.840 -0.411 0.000 0.752 907 L CB -0.509 41.382 42.059 -0.280 0.000 0.906 907 L HN 0.161 nan 8.230 nan 0.000 0.436 908 R N 0.445 120.701 120.500 -0.405 0.000 2.081 908 R HA -0.177 4.166 4.340 0.004 0.000 0.235 908 R C 1.636 177.684 176.300 -0.419 0.000 1.131 908 R CA 1.963 57.790 56.100 -0.455 0.000 0.960 908 R CB -0.162 29.741 30.300 -0.660 0.000 0.856 908 R HN 0.310 nan 8.270 nan 0.000 0.436 909 D N 0.323 120.577 120.400 -0.243 0.000 2.183 909 D HA -0.139 4.503 4.640 0.004 0.000 0.203 909 D C 1.708 178.028 176.300 0.033 0.000 0.969 909 D CA 0.934 54.909 54.000 -0.041 0.000 0.842 909 D CB -0.169 40.664 40.800 0.055 0.000 0.957 909 D HN 0.296 nan 8.370 nan 0.000 0.484 910 E N 0.832 121.024 120.200 -0.013 0.000 2.085 910 E HA -0.122 4.230 4.350 0.004 0.000 0.194 910 E C 2.116 178.780 176.600 0.107 0.000 0.994 910 E CA 0.715 57.177 56.400 0.103 0.000 0.801 910 E CB -0.335 29.424 29.700 0.098 0.000 0.743 910 E HN 0.246 nan 8.360 nan 0.000 0.453 911 L N -0.013 121.178 121.223 -0.054 0.000 2.083 911 L HA -0.217 4.125 4.340 0.004 0.000 0.209 911 L C 2.478 179.373 176.870 0.041 0.000 1.083 911 L CA 1.330 56.136 54.840 -0.058 0.000 0.752 911 L CB -0.684 41.276 42.059 -0.165 0.000 0.899 911 L HN 0.323 nan 8.230 nan 0.000 0.433 912 H N -1.534 117.611 119.070 0.124 0.000 2.352 912 H HA -0.232 4.327 4.556 0.005 0.000 0.299 912 H C 2.217 177.674 175.328 0.215 0.000 1.097 912 H CA 1.965 58.142 56.048 0.216 0.000 1.311 912 H CB -0.549 29.336 29.762 0.204 0.000 1.377 912 H HN 0.502 nan 8.280 nan 0.000 0.504 913 H N 0.569 119.769 119.070 0.217 0.000 2.357 913 H HA -0.019 4.540 4.556 0.004 0.000 0.301 913 H C 2.299 177.680 175.328 0.088 0.000 1.082 913 H CA 1.230 57.359 56.048 0.136 0.000 1.342 913 H CB -0.326 29.506 29.762 0.116 0.000 1.389 913 H HN 0.157 nan 8.280 nan 0.000 0.511 914 L N -0.116 121.109 121.223 0.003 0.000 2.056 914 L HA -0.071 4.272 4.340 0.004 0.000 0.207 914 L C 2.909 179.726 176.870 -0.089 0.000 1.078 914 L CA 0.849 55.639 54.840 -0.084 0.000 0.749 914 L CB -0.733 41.344 42.059 0.031 0.000 0.901 914 L HN 0.484 nan 8.230 nan 0.000 0.433 915 A N 0.432 123.256 122.820 0.007 0.000 1.892 915 A HA -0.233 4.090 4.320 0.004 0.000 0.218 915 A C 2.220 179.750 177.584 -0.090 0.000 1.188 915 A CA 1.716 53.765 52.037 0.020 0.000 0.631 915 A CB -0.902 18.215 19.000 0.194 0.000 0.822 915 A HN 0.386 nan 8.150 nan 0.000 0.447 916 L N -0.904 120.241 121.223 -0.130 0.000 2.265 916 L HA -0.179 4.164 4.340 0.004 0.000 0.215 916 L C 1.987 178.745 176.870 -0.186 0.000 1.117 916 L CA 0.942 55.661 54.840 -0.202 0.000 0.782 916 L CB -0.291 41.675 42.059 -0.155 0.000 0.914 916 L HN 0.423 nan 8.230 nan 0.000 0.441 917 Q N -0.415 119.254 119.800 -0.218 0.000 2.247 917 Q HA 0.057 4.399 4.340 0.004 0.000 0.204 917 Q C 0.035 175.963 176.000 -0.120 0.000 0.872 917 Q CA -0.009 55.683 55.803 -0.184 0.000 0.951 917 Q CB 0.609 29.191 28.738 -0.260 0.000 1.099 917 Q HN 0.387 nan 8.270 nan 0.000 0.501 918 E N 0.655 120.793 120.200 -0.102 0.000 2.440 918 E HA -0.213 4.140 4.350 0.004 0.000 0.246 918 E C -0.707 175.854 176.600 -0.065 0.000 1.165 918 E CA 0.193 56.553 56.400 -0.067 0.000 0.726 918 E CB -1.309 28.358 29.700 -0.055 0.000 1.271 918 E HN 0.326 nan 8.360 nan 0.000 0.397 919 L N 0.434 121.608 121.223 -0.082 0.000 2.344 919 L HA 0.516 4.859 4.340 0.004 0.000 0.272 919 L C -1.545 175.265 176.870 -0.100 0.000 1.035 919 L CA -2.058 52.728 54.840 -0.090 0.000 0.807 919 L CB 0.559 42.561 42.059 -0.094 0.000 1.237 919 L HN -0.097 nan 8.230 nan 0.000 0.442 920 P HA 0.091 nan 4.420 nan 0.000 0.274 920 P C 0.330 177.506 177.300 -0.207 0.000 1.256 920 P CA -0.399 62.595 63.100 -0.177 0.000 0.795 920 P CB 0.615 32.162 31.700 -0.255 0.000 1.038 921 G N -0.281 108.461 108.800 -0.097 0.000 3.155 921 G HA2 0.024 3.987 3.960 0.004 0.000 0.213 921 G HA3 0.024 3.987 3.960 0.004 0.000 0.213 921 G C 0.158 175.027 174.900 -0.052 0.000 1.196 921 G CA 0.130 45.192 45.100 -0.063 0.000 0.846 921 G HN 0.765 nan 8.290 nan 0.000 0.516 922 H N -2.053 116.994 119.070 -0.039 0.000 2.637 922 H HA 0.703 5.262 4.556 0.004 0.000 0.363 922 H C -0.537 174.807 175.328 0.027 0.000 1.131 922 H CA -1.228 54.790 56.048 -0.050 0.000 1.183 922 H CB 1.788 31.534 29.762 -0.028 0.000 1.637 922 H HN 0.129 nan 8.280 nan 0.000 0.531 923 V N 0.075 120.095 119.914 0.176 0.000 3.113 923 V HA 0.620 4.743 4.120 0.004 0.000 0.316 923 V C 0.500 176.736 176.094 0.236 0.000 1.125 923 V CA -0.821 61.588 62.300 0.181 0.000 1.026 923 V CB 1.493 33.441 31.823 0.209 0.000 1.080 923 V HN 1.014 nan 8.190 nan 0.000 0.444 924 S N 0.536 116.329 115.700 0.155 0.000 2.558 924 S HA -0.010 4.462 4.470 0.004 0.000 0.287 924 S C 1.203 175.892 174.600 0.149 0.000 1.321 924 S CA 0.726 59.001 58.200 0.125 0.000 1.048 924 S CB 0.260 63.494 63.200 0.057 0.000 0.844 924 S HN 1.203 nan 8.310 nan 0.000 0.512 925 E N 2.276 122.550 120.200 0.124 0.000 2.333 925 E HA -0.193 4.160 4.350 0.004 0.000 0.198 925 E C 0.412 177.026 176.600 0.024 0.000 1.007 925 E CA 1.236 57.694 56.400 0.097 0.000 0.845 925 E CB -0.296 29.447 29.700 0.071 0.000 0.766 925 E HN 0.733 nan 8.360 nan 0.000 0.507 926 D N 0.887 121.293 120.400 0.010 0.000 2.263 926 D HA -0.073 4.569 4.640 0.004 0.000 0.208 926 D C 0.566 176.824 176.300 -0.070 0.000 0.971 926 D CA 0.568 54.551 54.000 -0.029 0.000 0.867 926 D CB -0.399 40.383 40.800 -0.031 0.000 0.929 926 D HN 0.207 nan 8.370 nan 0.000 0.492 927 C N 0.302 119.558 119.300 -0.073 0.000 2.534 927 C HA 0.182 4.645 4.460 0.004 0.000 0.385 927 C C 0.581 175.489 174.990 -0.137 0.000 1.264 927 C CA -0.601 58.279 59.018 -0.231 0.000 2.342 927 C CB -0.690 26.859 27.740 -0.318 0.000 2.564 927 C HN 0.355 nan 8.230 nan 0.000 0.603 928 F N 0.804 120.752 119.950 -0.004 0.000 3.093 928 F HA -0.241 4.289 4.527 0.004 0.000 0.287 928 F C 1.783 177.506 175.800 -0.128 0.000 0.882 928 F CA 1.087 59.066 58.000 -0.036 0.000 1.063 928 F CB -2.447 36.573 39.000 0.033 0.000 1.097 928 F HN 0.828 nan 8.300 nan 0.000 0.604 929 T N -3.514 111.041 114.554 0.002 0.000 2.833 929 T HA 0.016 4.368 4.350 0.004 0.000 0.269 929 T C 2.029 176.723 174.700 -0.011 0.000 1.054 929 T CA 1.081 63.154 62.100 -0.044 0.000 1.135 929 T CB -0.280 68.561 68.868 -0.046 0.000 0.869 929 T HN 0.542 nan 8.240 nan 0.000 0.466 930 A N 1.820 124.660 122.820 0.032 0.000 1.897 930 A HA 0.033 4.356 4.320 0.004 0.000 0.215 930 A C 2.287 179.903 177.584 0.054 0.000 1.181 930 A CA 1.327 53.389 52.037 0.042 0.000 0.620 930 A CB -0.573 18.459 19.000 0.054 0.000 0.821 930 A HN 0.460 nan 8.150 nan 0.000 0.443 931 E N 0.135 120.384 120.200 0.083 0.000 2.051 931 E HA -0.152 4.201 4.350 0.004 0.000 0.192 931 E C 2.225 178.845 176.600 0.035 0.000 0.991 931 E CA 1.453 57.896 56.400 0.071 0.000 0.799 931 E CB -0.232 29.513 29.700 0.074 0.000 0.748 931 E HN 0.580 nan 8.360 nan 0.000 0.449 932 R N 0.275 120.757 120.500 -0.030 0.000 2.075 932 R HA -0.096 4.247 4.340 0.004 0.000 0.232 932 R C 2.380 178.666 176.300 -0.023 0.000 1.126 932 R CA 1.299 57.346 56.100 -0.088 0.000 0.963 932 R CB -0.202 29.925 30.300 -0.289 0.000 0.858 932 R HN 0.248 nan 8.270 nan 0.000 0.435 933 E N 1.296 121.489 120.200 -0.012 0.000 2.110 933 E HA -0.194 4.159 4.350 0.004 0.000 0.193 933 E C 2.019 178.648 176.600 0.048 0.000 0.988 933 E CA 0.889 57.297 56.400 0.013 0.000 0.804 933 E CB 0.010 29.716 29.700 0.010 0.000 0.745 933 E HN 0.309 nan 8.360 nan 0.000 0.458 934 L N 0.056 121.314 121.223 0.059 0.000 2.109 934 L HA -0.087 4.255 4.340 0.004 0.000 0.207 934 L C 2.105 179.048 176.870 0.122 0.000 1.086 934 L CA 0.766 55.657 54.840 0.085 0.000 0.760 934 L CB 0.014 42.123 42.059 0.083 0.000 0.910 934 L HN 0.023 nan 8.230 nan 0.000 0.437 935 V N 0.308 120.295 119.914 0.121 0.000 2.379 935 V HA -0.160 3.962 4.120 0.004 0.000 0.245 935 V C 2.701 178.918 176.094 0.206 0.000 1.044 935 V CA 1.642 64.043 62.300 0.168 0.000 1.036 935 V CB -0.669 31.242 31.823 0.147 0.000 0.664 935 V HN 0.438 nan 8.190 nan 0.000 0.453 936 R N 0.241 120.825 120.500 0.139 0.000 2.117 936 R HA -0.205 4.137 4.340 0.004 0.000 0.243 936 R C 2.342 178.767 176.300 0.208 0.000 1.143 936 R CA 1.676 57.872 56.100 0.160 0.000 0.968 936 R CB -0.523 29.823 30.300 0.077 0.000 0.863 936 R HN 0.556 nan 8.270 nan 0.000 0.444 937 A N 0.132 123.045 122.820 0.155 0.000 1.930 937 A HA -0.066 4.256 4.320 0.004 0.000 0.215 937 A C 2.179 179.851 177.584 0.146 0.000 1.176 937 A CA 1.280 53.390 52.037 0.122 0.000 0.632 937 A CB -0.165 18.884 19.000 0.081 0.000 0.819 937 A HN 0.214 nan 8.150 nan 0.000 0.445 938 S N -1.126 114.706 115.700 0.220 0.000 2.356 938 S HA -0.179 4.294 4.470 0.004 0.000 0.223 938 S C 1.650 176.482 174.600 0.386 0.000 1.032 938 S CA 0.969 59.365 58.200 0.326 0.000 1.005 938 S CB -0.540 62.893 63.200 0.389 0.000 0.867 938 S HN 0.766 nan 8.310 nan 0.000 0.449 939 W N 2.482 123.900 121.300 0.197 0.000 2.315 939 W HA -0.278 4.387 4.660 0.009 0.000 0.323 939 W C 2.357 178.946 176.519 0.117 0.000 1.233 939 W CA 2.260 59.704 57.345 0.164 0.000 1.267 939 W CB -0.675 28.846 29.460 0.102 0.000 1.160 939 W HN 0.334 nan 8.180 nan 0.000 0.474 940 Q N 1.088 121.028 119.800 0.234 0.000 2.112 940 Q HA -0.262 4.080 4.340 0.004 0.000 0.206 940 Q C 2.348 178.314 176.000 -0.056 0.000 0.987 940 Q CA 2.740 58.592 55.803 0.081 0.000 0.858 940 Q CB -0.695 28.107 28.738 0.106 0.000 0.905 940 Q HN 0.274 nan 8.270 nan 0.000 0.420 941 K N -1.219 119.129 120.400 -0.087 0.000 2.002 941 K HA -0.162 4.161 4.320 0.004 0.000 0.209 941 K C 1.689 178.061 176.600 -0.380 0.000 1.048 941 K CA 1.665 57.770 56.287 -0.302 0.000 0.930 941 K CB -0.329 31.892 32.500 -0.466 0.000 0.714 941 K HN 0.342 nan 8.250 nan 0.000 0.438 942 W N -0.145 121.127 121.300 -0.048 0.000 2.576 942 W HA 0.047 4.711 4.660 0.005 0.000 0.275 942 W C 1.609 177.987 176.519 -0.235 0.000 1.241 942 W CA -0.381 56.951 57.345 -0.021 0.000 1.328 942 W CB 0.261 29.775 29.460 0.090 0.000 1.092 942 W HN 0.080 nan 8.180 nan 0.000 0.586 943 L N -0.680 120.339 121.223 -0.339 0.000 2.638 943 L HA 0.180 4.523 4.340 0.004 0.000 0.232 943 L C 1.338 177.947 176.870 -0.434 0.000 1.099 943 L CA 0.723 55.139 54.840 -0.706 0.000 0.883 943 L CB -0.326 40.791 42.059 -1.570 0.000 1.136 943 L HN -0.084 nan 8.230 nan 0.000 0.492 944 V N -1.161 118.597 119.914 -0.260 0.000 3.484 944 V HA 0.238 4.360 4.120 0.004 0.000 0.252 944 V C 1.153 177.204 176.094 -0.071 0.000 1.282 944 V CA 0.942 63.172 62.300 -0.115 0.000 1.104 944 V CB 0.714 32.517 31.823 -0.034 0.000 0.868 944 V HN 0.371 nan 8.190 nan 0.000 0.457 945 E N 0.000 120.152 120.200 -0.080 0.000 2.725 945 E HA 0.000 4.353 4.350 0.004 0.000 0.291 945 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 945 E CB 0.000 29.654 29.700 -0.077 0.000 0.812 945 E HN 0.000 nan 8.360 nan 0.000 0.440