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 1nbw_1_A DATA FIRST_RESID 2 DATA SEQUENCE PLIAGIDIGN ATTEVALASD YPQARAFVAS GIVATTGMKG TRDNIAGTLA DATA SEQUENCE ALEQALAKTP WSMSDVSRIY LNEAAPVIGD VAMETITETI ITESTMIGHN DATA SEQUENCE PQTPGGVGVG VGTTIALGRL ATLPAAQYAE GWIVLIDDAV DFLDAVWWLN DATA SEQUENCE EALDRGINVV AAILKKDDGV LVNNRLRKTL PVVDEVTLLE QVPEGVMAAV DATA SEQUENCE EVAAPGQVVR ILSNPYGIAT FFGLSPEETQ AIVPIARALI GNRSAVVLKT DATA SEQUENCE PQGDVQSRVI PAGNLYISGE KRRGEADVAE GAEAIMQAMS ACAPVRDIRG DATA SEQUENCE EPGTHAGGML ERVRKVMASL TGHEMSAIYI QDLLAVDTFI PRKVQGGMAG DATA SEQUENCE ECAMENAVGM AAMVKADRLQ MQVIARELSA RLQTEVVVGG VEANMAIAGA DATA SEQUENCE LTTPGCAAPL AILDLGAGST DAAIVNAEGQ ITAVHLAGAG NMVSLLIKTE DATA SEQUENCE LGLEDLSLAE AIKKYPLAKV ESLFSIRHEN GAVEFFREAL SPAVFAKVVY DATA SEQUENCE IKEGELVPID NASPLEKIRL VRRQAKEKVF VTNCLRALRQ VSPGGSIRDI DATA SEQUENCE AFVVLVGGSS LDFEIPQLIT EALSHYGVVA GQGNIRGTEG PRNAVATGLL DATA SEQUENCE LAGQAN 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.167 177.300 -0.221 0.000 1.155 2 P CA 0.000 62.964 63.100 -0.226 0.000 0.800 2 P CB 0.000 31.612 31.700 -0.147 0.000 0.726 3 L N 2.455 123.524 121.223 -0.256 0.000 2.342 3 L HA 0.396 4.736 4.340 -0.000 0.000 0.285 3 L C -0.294 176.521 176.870 -0.092 0.000 1.095 3 L CA -0.043 54.670 54.840 -0.211 0.000 0.843 3 L CB -0.600 41.266 42.059 -0.321 0.000 1.201 3 L HN 0.278 nan 8.230 nan 0.000 0.445 4 I N 4.479 125.027 120.570 -0.036 0.000 2.498 4 I HA 0.654 4.824 4.170 -0.000 0.000 0.301 4 I C 0.066 176.218 176.117 0.058 0.000 0.984 4 I CA -0.636 60.687 61.300 0.038 0.000 1.204 4 I CB 1.702 39.734 38.000 0.054 0.000 1.362 4 I HN 0.737 nan 8.210 nan 0.000 0.471 5 A N 3.753 126.635 122.820 0.104 0.000 2.381 5 A HA 0.718 5.038 4.320 -0.000 0.000 0.299 5 A C -0.293 177.372 177.584 0.135 0.000 1.049 5 A CA -0.525 51.566 52.037 0.091 0.000 0.715 5 A CB 1.363 20.398 19.000 0.059 0.000 1.222 5 A HN 0.824 nan 8.150 nan 0.000 0.428 6 G N 1.642 110.502 108.800 0.100 0.000 2.319 6 G HA2 0.559 4.519 3.960 -0.000 0.000 0.308 6 G HA3 0.559 4.519 3.960 -0.000 0.000 0.308 6 G C -0.534 174.411 174.900 0.075 0.000 1.117 6 G CA -0.295 44.868 45.100 0.105 0.000 0.903 6 G HN 0.654 nan 8.290 nan 0.000 0.436 7 I N 2.190 122.806 120.570 0.077 0.000 2.389 7 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 7 I C -1.132 175.011 176.117 0.044 0.000 0.999 7 I CA -0.746 60.585 61.300 0.050 0.000 1.129 7 I CB 2.274 40.297 38.000 0.038 0.000 1.288 7 I HN 0.368 nan 8.210 nan 0.000 0.444 8 D N 7.812 128.234 120.400 0.036 0.000 2.441 8 D HA 0.381 5.021 4.640 -0.000 0.000 0.231 8 D C -0.506 175.810 176.300 0.027 0.000 1.073 8 D CA -0.293 53.726 54.000 0.032 0.000 0.850 8 D CB 0.972 41.790 40.800 0.030 0.000 1.062 8 D HN 0.341 nan 8.370 nan 0.000 0.524 9 I N 3.991 124.575 120.570 0.024 0.000 2.241 9 I HA 0.338 4.508 4.170 -0.000 0.000 0.294 9 I C 1.267 177.395 176.117 0.020 0.000 1.145 9 I CA -0.563 60.749 61.300 0.020 0.000 1.261 9 I CB 0.751 38.760 38.000 0.015 0.000 1.475 9 I HN 0.348 nan 8.210 nan 0.000 0.533 10 G N 3.370 112.183 108.800 0.022 0.000 2.580 10 G HA2 0.074 4.034 3.960 -0.000 0.000 0.278 10 G HA3 0.074 4.034 3.960 -0.000 0.000 0.278 10 G C 0.774 175.686 174.900 0.020 0.000 1.212 10 G CA -0.466 44.648 45.100 0.024 0.000 0.939 10 G HN 0.521 nan 8.290 nan 0.000 0.513 11 N N -0.087 118.626 118.700 0.022 0.000 2.223 11 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 11 N C 1.965 177.487 175.510 0.021 0.000 1.016 11 N CA 1.414 54.475 53.050 0.019 0.000 0.863 11 N CB 0.155 38.655 38.487 0.021 0.000 0.983 11 N HN 0.508 nan 8.380 nan 0.000 0.429 12 A N -0.274 122.561 122.820 0.024 0.000 1.999 12 A HA 0.129 4.449 4.320 -0.000 0.000 0.200 12 A C 0.967 178.565 177.584 0.023 0.000 1.363 12 A CA 0.648 52.700 52.037 0.024 0.000 0.844 12 A CB 0.021 19.038 19.000 0.028 0.000 0.954 12 A HN 0.321 nan 8.150 nan 0.000 0.481 13 T N -2.777 111.791 114.554 0.023 0.000 2.907 13 T HA 0.614 4.964 4.350 -0.000 0.000 0.292 13 T C -0.794 173.919 174.700 0.022 0.000 1.043 13 T CA -0.462 61.651 62.100 0.022 0.000 1.003 13 T CB 1.771 70.652 68.868 0.022 0.000 1.084 13 T HN -0.062 nan 8.240 nan 0.000 0.483 14 T N 2.419 116.986 114.554 0.022 0.000 2.770 14 T HA 0.520 4.870 4.350 -0.000 0.000 0.283 14 T C -0.662 174.052 174.700 0.025 0.000 0.988 14 T CA -0.574 61.540 62.100 0.023 0.000 0.957 14 T CB 0.965 69.845 68.868 0.021 0.000 0.930 14 T HN 0.697 nan 8.240 nan 0.000 0.443 15 E N 1.566 121.782 120.200 0.026 0.000 2.277 15 E HA 0.716 5.066 4.350 -0.000 0.000 0.266 15 E C -1.135 175.484 176.600 0.032 0.000 0.901 15 E CA -0.948 55.468 56.400 0.028 0.000 0.782 15 E CB 2.361 32.077 29.700 0.026 0.000 1.228 15 E HN 0.245 nan 8.360 nan 0.000 0.424 16 V N 0.985 120.920 119.914 0.035 0.000 2.735 16 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 16 V C -0.963 175.156 176.094 0.042 0.000 1.061 16 V CA -0.787 61.537 62.300 0.040 0.000 0.913 16 V CB 1.811 33.659 31.823 0.042 0.000 1.005 16 V HN 0.770 nan 8.190 nan 0.000 0.428 17 A N 4.558 127.404 122.820 0.045 0.000 2.340 17 A HA 0.848 5.168 4.320 -0.000 0.000 0.297 17 A C -1.349 176.266 177.584 0.051 0.000 1.195 17 A CA -0.377 51.686 52.037 0.043 0.000 0.769 17 A CB 1.027 20.045 19.000 0.029 0.000 1.163 17 A HN 0.801 nan 8.150 nan 0.000 0.472 18 L N 2.663 123.924 121.223 0.063 0.000 2.341 18 L HA 0.938 5.278 4.340 -0.000 0.000 0.278 18 L C -0.111 176.810 176.870 0.085 0.000 1.005 18 L CA 0.218 55.101 54.840 0.071 0.000 0.818 18 L CB 1.660 43.769 42.059 0.082 0.000 1.259 18 L HN 1.112 nan 8.230 nan 0.000 0.418 19 A N 2.611 125.473 122.820 0.071 0.000 2.610 19 A HA 0.739 5.059 4.320 -0.000 0.000 0.291 19 A C -1.339 176.277 177.584 0.053 0.000 1.086 19 A CA -0.452 51.638 52.037 0.088 0.000 0.677 19 A CB 1.751 20.794 19.000 0.072 0.000 1.278 19 A HN 0.527 nan 8.150 nan 0.000 0.414 20 S N 0.929 116.685 115.700 0.092 0.000 2.542 20 S HA 0.418 4.888 4.470 -0.000 0.000 0.245 20 S C -1.100 173.523 174.600 0.039 0.000 1.325 20 S CA -0.503 57.709 58.200 0.020 0.000 1.176 20 S CB 0.029 63.294 63.200 0.108 0.000 1.045 20 S HN 0.668 nan 8.310 nan 0.000 0.481 21 D N 2.259 122.616 120.400 -0.072 0.000 2.344 21 D HA 0.381 5.021 4.640 -0.000 0.000 0.244 21 D C -0.944 175.231 176.300 -0.208 0.000 1.134 21 D CA 0.458 54.443 54.000 -0.025 0.000 0.930 21 D CB 0.515 41.291 40.800 -0.040 0.000 1.175 21 D HN 0.504 nan 8.370 nan 0.000 0.437 22 Y N -0.340 119.967 120.300 0.011 0.000 2.597 22 Y HA 0.350 4.900 4.550 -0.000 0.000 0.340 22 Y C -1.929 173.974 175.900 0.004 0.000 1.097 22 Y CA -1.749 56.358 58.100 0.012 0.000 1.037 22 Y CB 1.572 40.048 38.460 0.026 0.000 1.305 22 Y HN 0.237 nan 8.280 nan 0.000 0.463 23 P HA 0.150 nan 4.420 nan 0.000 0.275 23 P C -0.851 176.501 177.300 0.086 0.000 1.266 23 P CA -0.159 62.993 63.100 0.086 0.000 0.793 23 P CB 0.376 32.114 31.700 0.063 0.000 1.074 24 Q N -2.039 117.790 119.800 0.048 0.000 2.337 24 Q HA -0.146 4.194 4.340 -0.000 0.000 0.285 24 Q C -0.376 175.645 176.000 0.034 0.000 1.144 24 Q CA 0.927 56.750 55.803 0.033 0.000 0.931 24 Q CB -2.182 26.572 28.738 0.027 0.000 1.301 24 Q HN 0.525 nan 8.270 nan 0.000 0.526 25 A N 0.369 123.219 122.820 0.050 0.000 2.512 25 A HA 0.559 4.879 4.320 -0.000 0.000 0.294 25 A C -0.911 176.704 177.584 0.052 0.000 1.054 25 A CA -0.943 51.121 52.037 0.046 0.000 0.756 25 A CB 1.236 20.263 19.000 0.045 0.000 1.293 25 A HN 0.135 nan 8.150 nan 0.000 0.395 26 R N 1.671 122.178 120.500 0.011 0.000 2.220 26 R HA 0.501 4.841 4.340 -0.000 0.000 0.340 26 R C 0.382 176.667 176.300 -0.024 0.000 1.076 26 R CA 0.133 56.218 56.100 -0.025 0.000 0.920 26 R CB 0.960 31.211 30.300 -0.082 0.000 1.062 26 R HN 0.864 nan 8.270 nan 0.000 0.469 27 A N 4.134 126.975 122.820 0.035 0.000 2.371 27 A HA 0.378 4.698 4.320 -0.000 0.000 0.257 27 A C -0.278 177.326 177.584 0.033 0.000 1.089 27 A CA -0.335 51.767 52.037 0.108 0.000 0.794 27 A CB 0.193 19.301 19.000 0.179 0.000 1.029 27 A HN 0.565 nan 8.150 nan 0.000 0.488 28 F N 1.136 121.127 119.950 0.069 0.000 2.418 28 F HA 0.376 4.903 4.527 -0.000 0.000 0.341 28 F C 0.546 176.382 175.800 0.060 0.000 1.120 28 F CA 0.476 58.509 58.000 0.054 0.000 1.232 28 F CB 1.264 40.294 39.000 0.050 0.000 1.175 28 F HN 0.267 nan 8.300 nan 0.000 0.569 29 V N 2.854 122.891 119.914 0.204 0.000 2.483 29 V HA 0.678 4.798 4.120 -0.000 0.000 0.295 29 V C -0.183 176.002 176.094 0.150 0.000 1.035 29 V CA -1.004 61.380 62.300 0.141 0.000 0.896 29 V CB 1.415 33.280 31.823 0.069 0.000 0.986 29 V HN 0.852 nan 8.190 nan 0.000 0.447 30 A N 3.742 126.639 122.820 0.127 0.000 2.276 30 A HA 0.794 5.114 4.320 -0.000 0.000 0.316 30 A C 0.188 177.821 177.584 0.081 0.000 1.229 30 A CA -0.347 51.754 52.037 0.106 0.000 0.851 30 A CB 0.860 19.926 19.000 0.110 0.000 1.165 30 A HN 1.019 nan 8.150 nan 0.000 0.513 31 S N 1.603 117.343 115.700 0.068 0.000 2.621 31 S HA 0.906 5.376 4.470 -0.000 0.000 0.302 31 S C 0.004 174.633 174.600 0.048 0.000 1.093 31 S CA -0.154 58.079 58.200 0.054 0.000 1.017 31 S CB 1.841 65.069 63.200 0.047 0.000 1.077 31 S HN 1.599 nan 8.310 nan 0.000 0.517 32 G N 0.202 109.028 108.800 0.043 0.000 2.612 32 G HA2 0.719 4.679 3.960 -0.000 0.000 0.298 32 G HA3 0.719 4.679 3.960 -0.000 0.000 0.298 32 G C -1.666 173.254 174.900 0.033 0.000 1.336 32 G CA -0.847 44.276 45.100 0.038 0.000 0.953 32 G HN 1.031 nan 8.290 nan 0.000 0.482 33 I N 1.256 121.845 120.570 0.030 0.000 2.685 33 I HA 0.581 4.751 4.170 -0.000 0.000 0.289 33 I C -1.018 175.115 176.117 0.026 0.000 1.292 33 I CA -0.878 60.438 61.300 0.028 0.000 1.050 33 I CB 1.838 39.853 38.000 0.026 0.000 1.301 33 I HN 0.638 nan 8.210 nan 0.000 0.425 34 V N 3.663 123.592 119.914 0.025 0.000 3.167 34 V HA 0.922 5.042 4.120 -0.000 0.000 0.310 34 V C -0.206 175.901 176.094 0.023 0.000 1.207 34 V CA -0.613 61.701 62.300 0.024 0.000 1.059 34 V CB 1.505 33.342 31.823 0.023 0.000 1.079 34 V HN 0.867 nan 8.190 nan 0.000 0.446 35 A N 0.626 123.459 122.820 0.022 0.000 2.409 35 A HA 0.583 4.903 4.320 -0.000 0.000 0.262 35 A C 0.589 178.185 177.584 0.020 0.000 1.113 35 A CA 0.050 52.100 52.037 0.022 0.000 0.790 35 A CB -0.344 18.670 19.000 0.022 0.000 1.046 35 A HN 1.126 nan 8.150 nan 0.000 0.496 36 T N 3.069 117.634 114.554 0.019 0.000 2.822 36 T HA 0.237 4.587 4.350 -0.000 0.000 0.288 36 T C 0.981 175.690 174.700 0.015 0.000 0.991 36 T CA 1.206 63.316 62.100 0.017 0.000 1.176 36 T CB -0.533 68.345 68.868 0.016 0.000 0.951 36 T HN 0.894 nan 8.240 nan 0.000 0.526 37 T N 1.799 116.361 114.554 0.014 0.000 2.856 37 T HA 0.596 4.946 4.350 -0.000 0.000 0.292 37 T C 0.868 175.574 174.700 0.011 0.000 0.980 37 T CA -0.091 62.017 62.100 0.013 0.000 1.091 37 T CB 1.110 69.986 68.868 0.013 0.000 0.936 37 T HN 1.100 nan 8.240 nan 0.000 0.503 38 G N 2.442 111.248 108.800 0.010 0.000 2.698 38 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.233 38 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.233 38 G C -0.309 174.595 174.900 0.007 0.000 1.352 38 G CA -0.135 44.970 45.100 0.008 0.000 0.879 38 G HN 1.071 nan 8.290 nan 0.000 0.567 39 M N 1.945 121.548 119.600 0.005 0.000 2.143 39 M HA 0.355 4.835 4.480 -0.000 0.000 0.348 39 M C 1.191 177.492 176.300 0.000 0.000 1.375 39 M CA -0.533 54.768 55.300 0.002 0.000 1.124 39 M CB 0.495 33.095 32.600 0.000 0.000 1.669 39 M HN 0.494 nan 8.290 nan 0.000 0.469 40 K N 3.814 124.214 120.400 -0.000 0.000 2.530 40 K HA 0.222 4.542 4.320 -0.000 0.000 0.280 40 K C 0.828 177.425 176.600 -0.006 0.000 1.004 40 K CA 0.778 57.064 56.287 -0.001 0.000 1.071 40 K CB -0.717 31.782 32.500 -0.002 0.000 0.876 40 K HN 1.023 nan 8.250 nan 0.000 0.487 41 G N 1.658 110.456 108.800 -0.004 0.000 2.195 41 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.224 41 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.224 41 G C 0.179 175.077 174.900 -0.004 0.000 0.990 41 G CA 0.239 45.335 45.100 -0.006 0.000 0.639 41 G HN 0.994 nan 8.290 nan 0.000 0.514 42 T N -2.131 112.422 114.554 -0.002 0.000 2.950 42 T HA 0.643 4.993 4.350 -0.000 0.000 0.288 42 T C 1.463 176.163 174.700 0.001 0.000 1.035 42 T CA 0.065 62.165 62.100 -0.000 0.000 1.028 42 T CB 1.459 70.328 68.868 0.000 0.000 1.109 42 T HN 0.436 nan 8.240 nan 0.000 0.514 43 R N 0.616 121.117 120.500 0.001 0.000 2.261 43 R HA -0.146 4.194 4.340 -0.000 0.000 0.236 43 R C 0.669 176.971 176.300 0.003 0.000 1.141 43 R CA 1.706 57.807 56.100 0.002 0.000 1.001 43 R CB -0.958 29.343 30.300 0.002 0.000 0.866 43 R HN 0.602 nan 8.270 nan 0.000 0.468 44 D N 1.151 121.553 120.400 0.004 0.000 2.218 44 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 44 D C 1.101 177.404 176.300 0.006 0.000 0.976 44 D CA 1.073 55.076 54.000 0.005 0.000 0.853 44 D CB -0.222 40.581 40.800 0.005 0.000 0.939 44 D HN 0.479 nan 8.370 nan 0.000 0.481 45 N N -0.145 118.558 118.700 0.006 0.000 2.512 45 N HA 0.009 4.749 4.740 -0.000 0.000 0.183 45 N C 1.407 176.921 175.510 0.008 0.000 1.073 45 N CA 0.065 53.119 53.050 0.007 0.000 0.911 45 N CB 0.207 38.698 38.487 0.006 0.000 0.964 45 N HN 0.209 nan 8.380 nan 0.000 0.447 46 I N 1.123 121.697 120.570 0.006 0.000 2.493 46 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 46 I C 2.490 178.612 176.117 0.009 0.000 1.160 46 I CA 0.352 61.656 61.300 0.006 0.000 1.445 46 I CB -0.290 37.712 38.000 0.004 0.000 1.086 46 I HN 0.149 nan 8.210 nan 0.000 0.433 47 A N 1.181 124.007 122.820 0.009 0.000 1.858 47 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 47 A C 2.460 180.052 177.584 0.013 0.000 1.190 47 A CA 1.973 54.017 52.037 0.011 0.000 0.617 47 A CB -1.394 17.612 19.000 0.011 0.000 0.827 47 A HN 0.431 nan 8.150 nan 0.000 0.443 48 G N -1.448 107.361 108.800 0.014 0.000 2.422 48 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 48 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 48 G C 1.519 176.429 174.900 0.018 0.000 1.140 48 G CA 1.587 46.696 45.100 0.016 0.000 0.775 48 G HN 0.439 nan 8.290 nan 0.000 0.545 49 T N 1.480 116.043 114.554 0.016 0.000 2.708 49 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 49 T C 2.293 177.004 174.700 0.018 0.000 1.037 49 T CA 0.932 63.042 62.100 0.017 0.000 1.146 49 T CB -0.177 68.698 68.868 0.012 0.000 0.865 49 T HN 0.049 nan 8.240 nan 0.000 0.435 50 L N 1.156 122.389 121.223 0.016 0.000 2.056 50 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 50 L C 2.799 179.682 176.870 0.022 0.000 1.078 50 L CA 1.400 56.250 54.840 0.018 0.000 0.749 50 L CB -1.421 40.647 42.059 0.015 0.000 0.901 50 L HN 0.246 nan 8.230 nan 0.000 0.433 51 A N -0.822 122.011 122.820 0.021 0.000 1.930 51 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 51 A C 2.486 180.085 177.584 0.026 0.000 1.175 51 A CA 1.534 53.584 52.037 0.022 0.000 0.627 51 A CB -0.711 18.302 19.000 0.020 0.000 0.815 51 A HN 0.366 nan 8.150 nan 0.000 0.443 52 A N -0.392 122.444 122.820 0.026 0.000 1.898 52 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 52 A C 2.186 179.790 177.584 0.034 0.000 1.181 52 A CA 1.317 53.372 52.037 0.029 0.000 0.620 52 A CB -0.541 18.476 19.000 0.028 0.000 0.819 52 A HN 0.458 nan 8.150 nan 0.000 0.442 53 L N -0.487 120.756 121.223 0.033 0.000 1.994 53 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 53 L C 2.743 179.640 176.870 0.044 0.000 1.071 53 L CA 1.573 56.436 54.840 0.039 0.000 0.745 53 L CB -0.470 41.609 42.059 0.033 0.000 0.892 53 L HN 0.420 nan 8.230 nan 0.000 0.431 54 E N -0.370 119.853 120.200 0.039 0.000 2.097 54 E HA -0.329 4.021 4.350 -0.000 0.000 0.196 54 E C 1.948 178.572 176.600 0.041 0.000 1.000 54 E CA 1.370 57.794 56.400 0.040 0.000 0.804 54 E CB -0.280 29.439 29.700 0.032 0.000 0.740 54 E HN 0.556 nan 8.360 nan 0.000 0.454 55 Q N 0.132 119.954 119.800 0.037 0.000 2.084 55 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 55 Q C 2.053 178.078 176.000 0.042 0.000 0.978 55 Q CA 1.555 57.379 55.803 0.035 0.000 0.844 55 Q CB -0.029 28.728 28.738 0.032 0.000 0.898 55 Q HN 0.237 nan 8.270 nan 0.000 0.426 56 A N 0.590 123.440 122.820 0.049 0.000 1.854 56 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 56 A C 2.047 179.675 177.584 0.073 0.000 1.192 56 A CA 0.979 53.052 52.037 0.060 0.000 0.611 56 A CB -0.778 18.260 19.000 0.063 0.000 0.832 56 A HN 0.422 nan 8.150 nan 0.000 0.442 57 L N -0.416 120.854 121.223 0.078 0.000 2.043 57 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 57 L C 2.941 179.857 176.870 0.077 0.000 1.075 57 L CA 1.203 56.103 54.840 0.099 0.000 0.752 57 L CB -0.470 41.647 42.059 0.096 0.000 0.891 57 L HN 0.446 nan 8.230 nan 0.000 0.432 58 A N -0.357 122.494 122.820 0.052 0.000 2.178 58 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 58 A C 2.024 179.620 177.584 0.020 0.000 1.157 58 A CA 1.331 53.386 52.037 0.031 0.000 0.689 58 A CB -0.344 18.672 19.000 0.025 0.000 0.787 58 A HN 0.437 nan 8.150 nan 0.000 0.465 59 K N -0.164 120.254 120.400 0.031 0.000 2.374 59 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 59 K C 0.476 177.081 176.600 0.009 0.000 1.023 59 K CA 0.728 57.026 56.287 0.017 0.000 1.103 59 K CB 0.240 32.759 32.500 0.031 0.000 0.848 59 K HN 0.585 nan 8.250 nan 0.000 0.528 60 T N -2.559 112.008 114.554 0.021 0.000 2.926 60 T HA 0.347 4.697 4.350 -0.000 0.000 0.289 60 T C -2.417 172.225 174.700 -0.097 0.000 1.054 60 T CA -1.902 60.198 62.100 0.001 0.000 1.015 60 T CB 1.999 70.950 68.868 0.138 0.000 1.167 60 T HN -0.313 nan 8.240 nan 0.000 0.526 61 P HA 0.228 nan 4.420 nan 0.000 0.236 61 P C -0.436 176.609 177.300 -0.425 0.000 1.177 61 P CA -0.045 62.805 63.100 -0.417 0.000 0.773 61 P CB 0.078 31.411 31.700 -0.611 0.000 0.878 62 W N -0.444 120.869 121.300 0.021 0.000 2.141 62 W HA 0.383 5.043 4.660 -0.000 0.000 0.354 62 W C 0.863 177.393 176.519 0.018 0.000 1.297 62 W CA -0.259 57.099 57.345 0.022 0.000 1.380 62 W CB 0.350 29.828 29.460 0.029 0.000 1.168 62 W HN -0.314 nan 8.180 nan 0.000 0.639 63 S N 0.292 116.202 115.700 0.349 0.000 2.745 63 S HA 0.184 4.654 4.470 -0.000 0.000 0.306 63 S C 0.578 175.261 174.600 0.138 0.000 1.137 63 S CA -0.835 57.475 58.200 0.184 0.000 0.900 63 S CB 1.398 64.678 63.200 0.133 0.000 1.176 63 S HN 0.535 nan 8.310 nan 0.000 0.520 64 M N 2.314 121.966 119.600 0.088 0.000 2.106 64 M HA -0.108 4.372 4.480 -0.000 0.000 0.259 64 M C 1.785 178.109 176.300 0.039 0.000 1.068 64 M CA 2.171 57.505 55.300 0.056 0.000 1.100 64 M CB -0.830 31.795 32.600 0.041 0.000 1.351 64 M HN 0.667 nan 8.290 nan 0.000 0.404 65 S N -1.388 114.339 115.700 0.046 0.000 2.603 65 S HA -0.027 4.443 4.470 -0.000 0.000 0.229 65 S C 1.159 175.765 174.600 0.010 0.000 0.972 65 S CA 0.816 59.032 58.200 0.027 0.000 0.935 65 S CB -0.583 62.638 63.200 0.034 0.000 0.769 65 S HN 0.528 nan 8.310 nan 0.000 0.536 66 D N 1.265 121.675 120.400 0.016 0.000 2.354 66 D HA 0.139 4.779 4.640 -0.000 0.000 0.209 66 D C 0.004 176.216 176.300 -0.147 0.000 1.015 66 D CA 0.154 54.109 54.000 -0.075 0.000 0.867 66 D CB 0.303 41.084 40.800 -0.031 0.000 0.933 66 D HN 0.259 nan 8.370 nan 0.000 0.520 67 V N 2.209 122.080 119.914 -0.073 0.000 2.450 67 V HA -0.051 4.069 4.120 -0.000 0.000 0.281 67 V C 1.461 177.506 176.094 -0.081 0.000 1.019 67 V CA 0.317 62.572 62.300 -0.074 0.000 1.062 67 V CB 1.135 32.942 31.823 -0.028 0.000 0.979 67 V HN 0.043 nan 8.190 nan 0.000 0.477 68 S N 4.387 120.027 115.700 -0.100 0.000 2.362 68 S HA 0.099 4.569 4.470 -0.000 0.000 0.221 68 S C 0.880 175.441 174.600 -0.066 0.000 1.032 68 S CA 0.706 58.853 58.200 -0.087 0.000 0.973 68 S CB 0.122 63.262 63.200 -0.100 0.000 0.849 68 S HN 0.736 nan 8.310 nan 0.000 0.465 69 R N -0.458 120.014 120.500 -0.047 0.000 2.707 69 R HA 0.627 4.967 4.340 -0.000 0.000 0.272 69 R C -2.016 174.245 176.300 -0.065 0.000 1.011 69 R CA -0.501 55.553 56.100 -0.077 0.000 0.893 69 R CB 1.438 31.716 30.300 -0.036 0.000 1.233 69 R HN 0.118 nan 8.270 nan 0.000 0.464 70 I N 2.780 123.236 120.570 -0.190 0.000 2.466 70 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 70 I C -1.311 174.624 176.117 -0.304 0.000 1.026 70 I CA -0.754 60.474 61.300 -0.120 0.000 1.078 70 I CB 1.804 39.756 38.000 -0.079 0.000 1.249 70 I HN 0.541 nan 8.210 nan 0.000 0.429 71 Y N 6.397 126.690 120.300 -0.013 0.000 2.369 71 Y HA 0.463 5.013 4.550 -0.000 0.000 0.337 71 Y C -0.289 175.607 175.900 -0.005 0.000 0.961 71 Y CA -0.596 57.498 58.100 -0.010 0.000 1.186 71 Y CB 1.441 39.894 38.460 -0.011 0.000 1.139 71 Y HN 0.372 nan 8.280 nan 0.000 0.494 72 L N 4.358 125.607 121.223 0.044 0.000 2.307 72 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 72 L C -0.887 176.008 176.870 0.042 0.000 1.023 72 L CA -0.434 54.426 54.840 0.034 0.000 0.810 72 L CB 1.265 43.321 42.059 -0.005 0.000 1.231 72 L HN 0.665 nan 8.230 nan 0.000 0.423 73 N N 2.673 121.397 118.700 0.041 0.000 2.354 73 N HA 0.358 5.098 4.740 -0.000 0.000 0.287 73 N C -1.555 173.970 175.510 0.025 0.000 1.016 73 N CA -0.400 52.671 53.050 0.036 0.000 0.871 73 N CB 1.351 39.862 38.487 0.040 0.000 1.299 73 N HN 0.622 nan 8.380 nan 0.000 0.482 74 E N 2.254 122.465 120.200 0.019 0.000 2.101 74 E HA 0.391 4.741 4.350 -0.000 0.000 0.260 74 E C -0.547 176.060 176.600 0.012 0.000 0.897 74 E CA -0.881 55.526 56.400 0.012 0.000 0.744 74 E CB 1.209 30.912 29.700 0.006 0.000 1.140 74 E HN 0.691 nan 8.360 nan 0.000 0.419 75 A N 2.638 125.467 122.820 0.015 0.000 2.531 75 A HA 0.298 4.618 4.320 -0.000 0.000 0.236 75 A C 0.487 178.069 177.584 -0.004 0.000 1.062 75 A CA 0.040 52.086 52.037 0.014 0.000 0.760 75 A CB 0.254 19.267 19.000 0.022 0.000 0.995 75 A HN 0.681 nan 8.150 nan 0.000 0.501 76 A N 4.573 127.381 122.820 -0.019 0.000 2.451 76 A HA 0.525 4.845 4.320 -0.000 0.000 0.266 76 A C -2.212 175.337 177.584 -0.057 0.000 1.119 76 A CA -1.208 50.802 52.037 -0.046 0.000 0.786 76 A CB -0.597 18.360 19.000 -0.072 0.000 1.061 76 A HN 0.644 nan 8.150 nan 0.000 0.503 77 P HA 0.161 nan 4.420 nan 0.000 0.262 77 P C -0.799 176.466 177.300 -0.059 0.000 1.182 77 P CA 0.330 63.404 63.100 -0.043 0.000 0.761 77 P CB 0.553 32.230 31.700 -0.040 0.000 0.795 78 V N 5.860 125.748 119.914 -0.044 0.000 2.483 78 V HA 0.330 4.450 4.120 -0.000 0.000 0.297 78 V C -0.070 176.013 176.094 -0.017 0.000 1.027 78 V CA -0.543 61.730 62.300 -0.045 0.000 0.855 78 V CB 1.657 33.457 31.823 -0.038 0.000 0.995 78 V HN 0.357 nan 8.190 nan 0.000 0.424 79 I N 4.022 124.581 120.570 -0.017 0.000 2.404 79 I HA 0.780 4.950 4.170 -0.000 0.000 0.293 79 I C 0.663 176.780 176.117 0.000 0.000 0.992 79 I CA -0.135 61.161 61.300 -0.007 0.000 1.149 79 I CB 1.507 39.499 38.000 -0.012 0.000 1.315 79 I HN 0.706 nan 8.210 nan 0.000 0.446 80 G N 3.652 112.454 108.800 0.005 0.000 2.605 80 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 80 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 80 G C -1.758 173.144 174.900 0.003 0.000 1.304 80 G CA -0.150 44.954 45.100 0.006 0.000 0.941 80 G HN 0.469 nan 8.290 nan 0.000 0.475 81 D N -1.709 118.691 120.400 0.000 0.000 2.639 81 D HA 0.573 5.213 4.640 -0.000 0.000 0.271 81 D C -0.735 175.561 176.300 -0.007 0.000 1.254 81 D CA -0.092 53.907 54.000 -0.001 0.000 0.810 81 D CB 2.262 43.064 40.800 0.004 0.000 1.351 81 D HN 0.778 nan 8.370 nan 0.000 0.427 82 V N -1.668 118.242 119.914 -0.008 0.000 3.040 82 V HA 1.078 5.198 4.120 -0.000 0.000 0.312 82 V C -1.037 175.050 176.094 -0.012 0.000 1.115 82 V CA -0.638 61.652 62.300 -0.017 0.000 0.998 82 V CB 1.293 33.099 31.823 -0.028 0.000 1.042 82 V HN 0.854 nan 8.190 nan 0.000 0.433 83 A N 3.413 126.222 122.820 -0.019 0.000 2.594 83 A HA 0.955 5.275 4.320 -0.000 0.000 0.295 83 A C -1.126 176.431 177.584 -0.046 0.000 1.071 83 A CA -0.577 51.450 52.037 -0.016 0.000 0.685 83 A CB 2.083 21.099 19.000 0.027 0.000 1.285 83 A HN 1.603 nan 8.150 nan 0.000 0.405 84 M N 1.445 120.990 119.600 -0.092 0.000 2.263 84 M HA 0.562 5.042 4.480 -0.000 0.000 0.295 84 M C -1.567 174.659 176.300 -0.124 0.000 1.028 84 M CA -0.032 55.202 55.300 -0.110 0.000 0.921 84 M CB 1.846 34.367 32.600 -0.132 0.000 1.601 84 M HN 0.592 nan 8.290 nan 0.000 0.440 85 E N 3.041 123.213 120.200 -0.048 0.000 2.199 85 E HA 0.417 4.767 4.350 -0.000 0.000 0.265 85 E C -0.987 175.604 176.600 -0.015 0.000 0.882 85 E CA -0.414 55.995 56.400 0.014 0.000 0.759 85 E CB 1.784 31.507 29.700 0.037 0.000 1.148 85 E HN 0.656 nan 8.360 nan 0.000 0.412 86 T N 3.143 117.700 114.554 0.005 0.000 2.832 86 T HA 0.276 4.626 4.350 -0.000 0.000 0.296 86 T C 1.421 176.118 174.700 -0.006 0.000 0.968 86 T CA -0.278 61.817 62.100 -0.008 0.000 1.107 86 T CB 0.186 69.059 68.868 0.008 0.000 0.916 86 T HN 0.475 nan 8.240 nan 0.000 0.517 87 I N 0.125 120.678 120.570 -0.028 0.000 4.025 87 I HA 0.328 4.498 4.170 -0.000 0.000 0.336 87 I C 0.436 176.541 176.117 -0.019 0.000 1.390 87 I CA -0.581 60.703 61.300 -0.028 0.000 1.099 87 I CB 0.268 38.239 38.000 -0.049 0.000 1.049 87 I HN 0.577 nan 8.210 nan 0.000 0.394 88 T N -1.024 113.525 114.554 -0.009 0.000 2.843 88 T HA 0.675 5.025 4.350 -0.000 0.000 0.302 88 T C -0.966 173.744 174.700 0.017 0.000 1.232 88 T CA -0.609 61.493 62.100 0.004 0.000 1.009 88 T CB 2.729 71.602 68.868 0.008 0.000 1.254 88 T HN 0.472 nan 8.240 nan 0.000 0.504 89 E N -0.116 120.096 120.200 0.021 0.000 2.390 89 E HA 0.625 4.975 4.350 -0.000 0.000 0.277 89 E C -1.618 174.998 176.600 0.026 0.000 0.939 89 E CA -1.104 55.311 56.400 0.025 0.000 0.769 89 E CB 2.037 31.749 29.700 0.021 0.000 1.251 89 E HN 0.541 nan 8.360 nan 0.000 0.450 90 T N 2.370 116.941 114.554 0.028 0.000 2.812 90 T HA 0.534 4.884 4.350 -0.000 0.000 0.282 90 T C -0.383 174.332 174.700 0.025 0.000 0.990 90 T CA -0.470 61.647 62.100 0.028 0.000 0.960 90 T CB 0.448 69.335 68.868 0.032 0.000 0.948 90 T HN 0.367 nan 8.240 nan 0.000 0.438 91 I N 3.236 123.819 120.570 0.023 0.000 2.545 91 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 91 I C -0.614 175.517 176.117 0.023 0.000 1.040 91 I CA -1.038 60.275 61.300 0.022 0.000 1.068 91 I CB 2.231 40.242 38.000 0.019 0.000 1.251 91 I HN 0.464 nan 8.210 nan 0.000 0.424 92 I N 4.834 125.418 120.570 0.023 0.000 2.330 92 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 92 I C 0.218 176.349 176.117 0.023 0.000 1.001 92 I CA -0.329 60.986 61.300 0.025 0.000 1.193 92 I CB 1.662 39.678 38.000 0.027 0.000 1.345 92 I HN 0.581 nan 8.210 nan 0.000 0.461 93 T N 1.151 115.719 114.554 0.024 0.000 2.867 93 T HA 0.385 4.735 4.350 -0.000 0.000 0.282 93 T C 0.212 174.925 174.700 0.022 0.000 1.000 93 T CA -0.505 61.608 62.100 0.021 0.000 1.042 93 T CB 1.449 70.329 68.868 0.019 0.000 0.973 93 T HN 0.706 nan 8.240 nan 0.000 0.465 94 E N 1.032 121.243 120.200 0.018 0.000 2.476 94 E HA -0.202 4.148 4.350 -0.000 0.000 0.251 94 E C 0.161 176.773 176.600 0.019 0.000 1.130 94 E CA 0.464 56.873 56.400 0.016 0.000 0.736 94 E CB -2.179 27.530 29.700 0.015 0.000 1.298 94 E HN 0.909 nan 8.360 nan 0.000 0.400 95 S N -1.843 113.869 115.700 0.021 0.000 3.462 95 S HA -0.318 4.152 4.470 -0.000 0.000 0.370 95 S C 1.103 175.724 174.600 0.035 0.000 1.028 95 S CA 1.132 59.346 58.200 0.024 0.000 1.119 95 S CB -1.211 62.000 63.200 0.019 0.000 0.906 95 S HN 0.598 nan 8.310 nan 0.000 0.471 96 T N 0.278 114.857 114.554 0.041 0.000 3.072 96 T HA 0.269 4.619 4.350 -0.000 0.000 0.266 96 T C 0.474 175.222 174.700 0.080 0.000 1.127 96 T CA 1.264 63.400 62.100 0.060 0.000 1.107 96 T CB -0.316 68.589 68.868 0.061 0.000 0.910 96 T HN 0.758 nan 8.240 nan 0.000 0.513 97 M N -0.835 118.806 119.600 0.068 0.000 2.773 97 M HA 0.543 5.023 4.480 -0.000 0.000 0.270 97 M C -2.203 174.139 176.300 0.069 0.000 1.238 97 M CA -1.015 54.332 55.300 0.077 0.000 0.832 97 M CB 1.908 34.551 32.600 0.072 0.000 1.672 97 M HN -0.247 nan 8.290 nan 0.000 0.480 98 I N 1.062 121.684 120.570 0.086 0.000 2.497 98 I HA 0.563 4.733 4.170 -0.000 0.000 0.284 98 I C -0.079 176.129 176.117 0.152 0.000 1.060 98 I CA -0.602 60.763 61.300 0.109 0.000 1.071 98 I CB 2.221 40.290 38.000 0.114 0.000 1.216 98 I HN 1.078 nan 8.210 nan 0.000 0.442 99 G N 4.553 113.451 108.800 0.163 0.000 4.379 99 G HA2 0.048 4.008 3.960 -0.000 0.000 0.290 99 G HA3 0.048 4.008 3.960 -0.000 0.000 0.290 99 G C 0.903 175.889 174.900 0.142 0.000 1.065 99 G CA -0.206 44.970 45.100 0.127 0.000 0.833 99 G HN 0.792 nan 8.290 nan 0.000 0.512 100 H N -0.035 119.043 119.070 0.012 0.000 2.546 100 H HA -0.006 4.550 4.556 -0.000 0.000 0.277 100 H C 0.929 176.261 175.328 0.006 0.000 1.004 100 H CA 0.474 56.527 56.048 0.009 0.000 1.231 100 H CB -0.216 29.552 29.762 0.010 0.000 1.382 100 H HN 0.312 nan 8.280 nan 0.000 0.580 101 N N 1.823 120.325 118.700 -0.329 0.000 2.642 101 N HA -0.110 4.630 4.740 -0.000 0.000 0.269 101 N C -2.336 172.984 175.510 -0.316 0.000 1.073 101 N CA 0.555 53.438 53.050 -0.278 0.000 0.748 101 N CB -0.606 37.813 38.487 -0.113 0.000 0.894 101 N HN 0.454 nan 8.380 nan 0.000 0.548 102 P HA -0.051 nan 4.420 nan 0.000 0.268 102 P C 0.326 177.549 177.300 -0.130 0.000 1.208 102 P CA 0.119 63.060 63.100 -0.266 0.000 0.777 102 P CB 0.645 32.201 31.700 -0.240 0.000 0.875 103 Q N 0.462 120.221 119.800 -0.068 0.000 2.172 103 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 103 Q C 0.719 176.696 176.000 -0.038 0.000 0.964 103 Q CA 1.519 57.295 55.803 -0.045 0.000 0.855 103 Q CB -0.198 28.525 28.738 -0.025 0.000 0.918 103 Q HN 0.634 nan 8.270 nan 0.000 0.444 104 T N -0.549 113.984 114.554 -0.036 0.000 3.427 104 T HA 0.344 4.694 4.350 -0.000 0.000 0.306 104 T C -2.610 172.070 174.700 -0.033 0.000 1.733 104 T CA -1.806 60.275 62.100 -0.032 0.000 1.599 104 T CB 0.927 69.777 68.868 -0.029 0.000 0.964 104 T HN -0.068 nan 8.240 nan 0.000 0.701 105 P HA 0.413 nan 4.420 nan 0.000 0.274 105 P C 0.398 177.686 177.300 -0.020 0.000 1.237 105 P CA 0.041 63.125 63.100 -0.027 0.000 0.793 105 P CB 0.921 32.600 31.700 -0.034 0.000 0.977 106 G N -0.552 108.240 108.800 -0.013 0.000 2.389 106 G HA2 0.543 4.503 3.960 -0.000 0.000 0.317 106 G HA3 0.543 4.503 3.960 -0.000 0.000 0.317 106 G C 0.303 175.203 174.900 -0.000 0.000 1.137 106 G CA -0.037 45.056 45.100 -0.012 0.000 0.870 106 G HN 0.811 nan 8.290 nan 0.000 0.496 107 G N -1.145 107.656 108.800 0.002 0.000 2.575 107 G HA2 0.189 4.149 3.960 -0.000 0.000 0.267 107 G HA3 0.189 4.149 3.960 -0.000 0.000 0.267 107 G C -0.090 174.816 174.900 0.009 0.000 1.264 107 G CA 0.581 45.687 45.100 0.009 0.000 0.935 107 G HN 2.009 nan 8.290 nan 0.000 0.568 108 V N -1.058 118.865 119.914 0.015 0.000 3.282 108 V HA 0.879 4.999 4.120 -0.000 0.000 0.295 108 V C 0.629 176.737 176.094 0.023 0.000 1.451 108 V CA 1.454 63.764 62.300 0.016 0.000 1.062 108 V CB 1.498 33.329 31.823 0.014 0.000 1.128 108 V HN 3.214 nan 8.190 nan 0.000 0.456 109 G N 1.316 110.133 108.800 0.028 0.000 2.434 109 G HA2 0.304 4.264 3.960 -0.000 0.000 0.671 109 G HA3 0.304 4.264 3.960 -0.000 0.000 0.671 109 G C -1.493 173.435 174.900 0.048 0.000 1.280 109 G CA -0.109 45.013 45.100 0.037 0.000 0.975 109 G HN 1.592 nan 8.290 nan 0.000 0.510 110 V N -0.117 119.831 119.914 0.057 0.000 2.876 110 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 110 V C 0.706 176.806 176.094 0.008 0.000 1.085 110 V CA 0.135 62.479 62.300 0.073 0.000 0.945 110 V CB 1.945 33.871 31.823 0.171 0.000 1.017 110 V HN 2.188 nan 8.190 nan 0.000 0.428 111 G N 1.636 110.408 108.800 -0.047 0.000 2.753 111 G HA2 0.630 4.590 3.960 -0.000 0.000 0.295 111 G HA3 0.630 4.590 3.960 -0.000 0.000 0.295 111 G C -1.712 173.055 174.900 -0.222 0.000 1.437 111 G CA -0.432 44.599 45.100 -0.115 0.000 1.094 111 G HN 0.568 nan 8.290 nan 0.000 0.540 112 V N 1.131 120.844 119.914 -0.335 0.000 2.513 112 V HA 1.005 5.125 4.120 -0.000 0.000 0.299 112 V C 0.734 176.702 176.094 -0.210 0.000 1.035 112 V CA 0.477 62.564 62.300 -0.355 0.000 0.889 112 V CB 1.056 32.518 31.823 -0.602 0.000 0.988 112 V HN 1.417 nan 8.190 nan 0.000 0.440 113 G N 2.667 111.374 108.800 -0.156 0.000 2.428 113 G HA2 0.507 4.467 3.960 -0.000 0.000 0.305 113 G HA3 0.507 4.467 3.960 -0.000 0.000 0.305 113 G C -1.089 173.681 174.900 -0.218 0.000 1.260 113 G CA -0.389 44.577 45.100 -0.222 0.000 0.853 113 G HN 0.515 nan 8.290 nan 0.000 0.480 114 T N 1.302 115.649 114.554 -0.346 0.000 2.797 114 T HA 0.584 4.934 4.350 -0.000 0.000 0.279 114 T C 0.535 175.241 174.700 0.010 0.000 0.991 114 T CA 0.114 62.065 62.100 -0.248 0.000 0.979 114 T CB 1.169 69.762 68.868 -0.459 0.000 0.943 114 T HN 0.984 nan 8.240 nan 0.000 0.444 115 T N 1.752 116.351 114.554 0.076 0.000 2.930 115 T HA 0.586 4.936 4.350 -0.000 0.000 0.306 115 T C -0.075 174.781 174.700 0.259 0.000 1.045 115 T CA -0.568 61.625 62.100 0.154 0.000 1.134 115 T CB 0.245 69.168 68.868 0.091 0.000 0.961 115 T HN 0.613 nan 8.240 nan 0.000 0.545 116 I N 1.181 121.902 120.570 0.252 0.000 2.752 116 I HA 0.589 4.759 4.170 -0.000 0.000 0.295 116 I C -0.508 175.660 176.117 0.085 0.000 1.219 116 I CA -1.273 60.135 61.300 0.180 0.000 1.030 116 I CB 1.834 39.917 38.000 0.139 0.000 1.259 116 I HN 1.001 nan 8.210 nan 0.000 0.423 117 A N 5.654 128.499 122.820 0.041 0.000 2.450 117 A HA 0.230 4.550 4.320 -0.000 0.000 0.255 117 A C 0.788 178.388 177.584 0.026 0.000 1.096 117 A CA -0.242 51.817 52.037 0.035 0.000 0.778 117 A CB 0.598 19.613 19.000 0.026 0.000 1.031 117 A HN 0.933 nan 8.150 nan 0.000 0.494 118 L N 3.751 125.012 121.223 0.063 0.000 2.085 118 L HA -0.184 4.155 4.340 -0.000 0.000 0.218 118 L C 2.105 179.050 176.870 0.125 0.000 1.080 118 L CA 2.943 57.849 54.840 0.110 0.000 0.776 118 L CB -0.670 41.474 42.059 0.142 0.000 0.891 118 L HN 0.743 nan 8.230 nan 0.000 0.437 119 G N -1.528 107.333 108.800 0.102 0.000 2.679 119 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.212 119 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.212 119 G C 1.585 176.438 174.900 -0.078 0.000 1.137 119 G CA 0.400 45.526 45.100 0.044 0.000 0.787 119 G HN 0.472 nan 8.290 nan 0.000 0.534 120 R N -1.085 119.360 120.500 -0.093 0.000 2.437 120 R HA 0.264 4.604 4.340 -0.000 0.000 0.257 120 R C 1.794 177.957 176.300 -0.228 0.000 0.927 120 R CA -0.456 55.556 56.100 -0.145 0.000 1.078 120 R CB -0.014 30.217 30.300 -0.115 0.000 1.161 120 R HN 0.245 nan 8.270 nan 0.000 0.529 121 L N 1.325 122.409 121.223 -0.233 0.000 2.043 121 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 121 L C 2.061 178.734 176.870 -0.329 0.000 1.075 121 L CA 1.986 56.635 54.840 -0.319 0.000 0.752 121 L CB -0.374 41.561 42.059 -0.207 0.000 0.891 121 L HN 0.132 nan 8.230 nan 0.000 0.432 122 A N -2.151 120.486 122.820 -0.304 0.000 2.239 122 A HA -0.057 4.263 4.320 -0.000 0.000 0.209 122 A C 1.868 179.320 177.584 -0.220 0.000 1.171 122 A CA 1.324 53.180 52.037 -0.302 0.000 0.768 122 A CB -0.989 17.767 19.000 -0.407 0.000 0.790 122 A HN 0.586 nan 8.150 nan 0.000 0.478 123 T N -2.856 111.578 114.554 -0.200 0.000 3.092 123 T HA 0.442 4.792 4.350 -0.000 0.000 0.258 123 T C 0.316 174.957 174.700 -0.098 0.000 1.031 123 T CA -0.372 61.647 62.100 -0.134 0.000 0.925 123 T CB -0.453 68.340 68.868 -0.126 0.000 1.036 123 T HN 0.183 nan 8.240 nan 0.000 0.544 124 L N 3.456 124.601 121.223 -0.130 0.000 2.453 124 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 124 L C -1.874 175.093 176.870 0.161 0.000 1.182 124 L CA -1.841 52.965 54.840 -0.057 0.000 0.858 124 L CB 0.270 42.210 42.059 -0.199 0.000 1.120 124 L HN 0.109 nan 8.230 nan 0.000 0.474 125 P HA 0.096 nan 4.420 nan 0.000 0.278 125 P C 0.180 177.419 177.300 -0.102 0.000 1.238 125 P CA -0.420 62.696 63.100 0.027 0.000 0.794 125 P CB 1.319 33.020 31.700 0.002 0.000 0.955 126 A N 3.412 125.968 122.820 -0.439 0.000 1.971 126 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 126 A C 2.157 179.429 177.584 -0.521 0.000 1.182 126 A CA 2.517 53.958 52.037 -0.994 0.000 0.649 126 A CB -1.635 17.015 19.000 -0.584 0.000 0.818 126 A HN 0.611 nan 8.150 nan 0.000 0.458 127 A N -1.684 121.015 122.820 -0.201 0.000 2.172 127 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 127 A C 1.839 179.455 177.584 0.053 0.000 1.154 127 A CA 1.404 53.405 52.037 -0.060 0.000 0.701 127 A CB -0.271 18.713 19.000 -0.027 0.000 0.789 127 A HN 0.690 nan 8.150 nan 0.000 0.465 128 Q N -2.127 117.760 119.800 0.145 0.000 2.194 128 Q HA 0.133 4.473 4.340 -0.000 0.000 0.214 128 Q C 0.601 176.934 176.000 0.555 0.000 0.838 128 Q CA -0.349 55.655 55.803 0.334 0.000 0.972 128 Q CB 0.246 29.223 28.738 0.398 0.000 1.131 128 Q HN 0.685 nan 8.270 nan 0.000 0.498 129 Y N 0.859 121.277 120.300 0.196 0.000 2.114 129 Y HA -0.192 4.358 4.550 -0.000 0.000 0.284 129 Y C 2.428 178.475 175.900 0.245 0.000 1.143 129 Y CA 1.199 59.416 58.100 0.194 0.000 1.135 129 Y CB -0.771 37.745 38.460 0.093 0.000 0.980 129 Y HN 0.191 nan 8.280 nan 0.000 0.499 130 A N -0.218 122.798 122.820 0.328 0.000 1.969 130 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 130 A C 2.188 179.841 177.584 0.115 0.000 1.169 130 A CA 1.428 53.579 52.037 0.190 0.000 0.635 130 A CB -0.832 18.242 19.000 0.123 0.000 0.810 130 A HN 0.535 nan 8.150 nan 0.000 0.445 131 E N -0.736 119.526 120.200 0.103 0.000 2.200 131 E HA -0.125 4.225 4.350 -0.000 0.000 0.211 131 E C 0.779 177.212 176.600 -0.279 0.000 1.048 131 E CA 1.034 57.376 56.400 -0.097 0.000 0.851 131 E CB -0.281 29.332 29.700 -0.145 0.000 0.747 131 E HN 0.986 nan 8.360 nan 0.000 0.462 132 G N -0.408 108.188 108.800 -0.340 0.000 3.435 132 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.683 132 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.683 132 G C -1.393 173.119 174.900 -0.646 0.000 1.189 132 G CA -0.295 44.611 45.100 -0.323 0.000 1.069 132 G HN 0.131 nan 8.290 nan 0.000 0.508 133 W N 1.786 123.083 121.300 -0.005 0.000 2.785 133 W HA 0.713 5.373 4.660 -0.000 0.000 0.333 133 W C 0.206 176.725 176.519 -0.000 0.000 1.062 133 W CA -1.110 56.233 57.345 -0.003 0.000 1.233 133 W CB 1.787 31.244 29.460 -0.004 0.000 1.413 133 W HN 0.454 nan 8.180 nan 0.000 0.489 134 I N 4.000 124.703 120.570 0.221 0.000 2.337 134 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 134 I C -0.308 175.913 176.117 0.172 0.000 1.041 134 I CA -0.940 60.447 61.300 0.144 0.000 1.199 134 I CB 0.554 38.604 38.000 0.083 0.000 1.370 134 I HN -0.000 nan 8.210 nan 0.000 0.470 135 V N 7.438 127.440 119.914 0.147 0.000 2.488 135 V HA 0.199 4.319 4.120 -0.000 0.000 0.277 135 V C 0.383 176.531 176.094 0.090 0.000 1.046 135 V CA -0.341 62.031 62.300 0.119 0.000 0.986 135 V CB 1.034 32.917 31.823 0.099 0.000 0.989 135 V HN 0.472 nan 8.190 nan 0.000 0.475 136 L N 6.723 127.995 121.223 0.081 0.000 2.260 136 L HA 0.533 4.873 4.340 -0.000 0.000 0.289 136 L C -0.353 176.549 176.870 0.053 0.000 1.057 136 L CA -0.112 54.766 54.840 0.063 0.000 0.811 136 L CB 0.742 42.836 42.059 0.059 0.000 1.184 136 L HN 0.492 nan 8.230 nan 0.000 0.429 137 I N 2.565 123.162 120.570 0.044 0.000 2.355 137 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 137 I C 0.214 176.344 176.117 0.022 0.000 0.999 137 I CA -0.527 60.793 61.300 0.032 0.000 1.163 137 I CB 1.555 39.571 38.000 0.026 0.000 1.316 137 I HN 0.539 nan 8.210 nan 0.000 0.454 138 D N 4.538 124.949 120.400 0.019 0.000 2.356 138 D HA 0.013 4.653 4.640 -0.000 0.000 0.258 138 D C 0.458 176.762 176.300 0.007 0.000 1.279 138 D CA 0.248 54.257 54.000 0.013 0.000 1.016 138 D CB 0.800 41.610 40.800 0.016 0.000 1.107 138 D HN 0.620 nan 8.370 nan 0.000 0.544 139 D N -1.354 119.050 120.400 0.007 0.000 2.463 139 D HA 0.195 4.835 4.640 -0.000 0.000 0.224 139 D C 0.540 176.842 176.300 0.003 0.000 1.174 139 D CA -0.221 53.784 54.000 0.008 0.000 0.829 139 D CB 0.135 40.942 40.800 0.010 0.000 0.993 139 D HN 0.191 nan 8.370 nan 0.000 0.497 140 A N -0.098 122.720 122.820 -0.003 0.000 2.169 140 A HA 0.299 4.619 4.320 -0.000 0.000 0.210 140 A C 0.773 178.340 177.584 -0.028 0.000 1.168 140 A CA 0.107 52.141 52.037 -0.005 0.000 0.813 140 A CB 0.429 19.434 19.000 0.008 0.000 0.861 140 A HN 0.143 nan 8.150 nan 0.000 0.481 141 V N 1.731 121.607 119.914 -0.063 0.000 2.427 141 V HA 0.177 4.297 4.120 -0.000 0.000 0.286 141 V C -0.287 175.718 176.094 -0.148 0.000 1.034 141 V CA -1.074 61.132 62.300 -0.158 0.000 0.893 141 V CB 1.543 33.183 31.823 -0.304 0.000 0.982 141 V HN 0.433 nan 8.190 nan 0.000 0.452 142 D N 3.312 123.609 120.400 -0.172 0.000 2.493 142 D HA -0.085 4.555 4.640 -0.000 0.000 0.240 142 D C 1.087 177.271 176.300 -0.193 0.000 1.142 142 D CA -0.002 53.900 54.000 -0.163 0.000 0.872 142 D CB 0.823 41.508 40.800 -0.192 0.000 1.173 142 D HN 0.532 nan 8.370 nan 0.000 0.467 143 F N 3.789 123.673 119.950 -0.110 0.000 2.250 143 F HA -0.118 4.409 4.527 -0.000 0.000 0.301 143 F C 1.583 177.326 175.800 -0.095 0.000 1.077 143 F CA 0.668 58.607 58.000 -0.103 0.000 1.348 143 F CB -0.463 38.502 39.000 -0.059 0.000 1.040 143 F HN 0.338 nan 8.300 nan 0.000 0.509 144 L N 0.222 121.006 121.223 -0.731 0.000 2.156 144 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 144 L C 2.034 178.808 176.870 -0.160 0.000 1.095 144 L CA 1.077 55.647 54.840 -0.450 0.000 0.770 144 L CB -0.706 41.035 42.059 -0.529 0.000 0.914 144 L HN 0.096 nan 8.230 nan 0.000 0.439 145 D N 0.158 120.411 120.400 -0.244 0.000 2.149 145 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 145 D C 2.233 178.110 176.300 -0.705 0.000 0.972 145 D CA 1.300 55.088 54.000 -0.354 0.000 0.835 145 D CB 0.122 40.575 40.800 -0.578 0.000 0.966 145 D HN 0.252 nan 8.370 nan 0.000 0.476 146 A N 0.722 123.227 122.820 -0.525 0.000 1.902 146 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 146 A C 2.530 180.073 177.584 -0.067 0.000 1.181 146 A CA 1.149 52.978 52.037 -0.347 0.000 0.623 146 A CB -0.793 18.118 19.000 -0.149 0.000 0.818 146 A HN 0.127 nan 8.150 nan 0.000 0.443 147 V N -1.327 118.605 119.914 0.030 0.000 2.287 147 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 147 V C 2.246 178.463 176.094 0.205 0.000 1.053 147 V CA 2.085 64.460 62.300 0.124 0.000 1.027 147 V CB -0.927 30.981 31.823 0.142 0.000 0.646 147 V HN 0.888 nan 8.190 nan 0.000 0.447 148 W N 0.359 121.648 121.300 -0.019 0.000 2.315 148 W HA -0.197 4.463 4.660 -0.000 0.000 0.323 148 W C 2.269 178.928 176.519 0.233 0.000 1.233 148 W CA 1.656 59.051 57.345 0.083 0.000 1.267 148 W CB -1.095 28.415 29.460 0.083 0.000 1.160 148 W HN 0.374 nan 8.180 nan 0.000 0.474 149 W N 0.346 121.671 121.300 0.043 0.000 2.338 149 W HA -0.137 4.523 4.660 -0.000 0.000 0.304 149 W C 2.554 179.055 176.519 -0.031 0.000 1.212 149 W CA 1.302 58.563 57.345 -0.140 0.000 1.264 149 W CB -1.619 27.716 29.460 -0.208 0.000 1.142 149 W HN -0.035 nan 8.180 nan 0.000 0.512 150 L N 0.251 121.621 121.223 0.245 0.000 2.046 150 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 150 L C 2.277 179.228 176.870 0.134 0.000 1.077 150 L CA 1.272 56.201 54.840 0.148 0.000 0.747 150 L CB -0.914 41.217 42.059 0.120 0.000 0.896 150 L HN -0.039 nan 8.230 nan 0.000 0.432 151 N N -0.191 118.616 118.700 0.178 0.000 2.142 151 N HA -0.200 4.540 4.740 -0.000 0.000 0.186 151 N C 1.835 177.433 175.510 0.147 0.000 1.023 151 N CA 1.101 54.242 53.050 0.153 0.000 0.852 151 N CB -0.158 38.427 38.487 0.163 0.000 0.998 151 N HN 0.251 nan 8.380 nan 0.000 0.424 152 E N 1.253 121.579 120.200 0.210 0.000 2.077 152 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 152 E C 1.770 178.394 176.600 0.040 0.000 0.989 152 E CA 1.279 57.772 56.400 0.155 0.000 0.800 152 E CB -0.403 29.416 29.700 0.198 0.000 0.746 152 E HN 0.284 nan 8.360 nan 0.000 0.452 153 A N 0.556 123.378 122.820 0.004 0.000 1.883 153 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 153 A C 2.369 179.909 177.584 -0.072 0.000 1.186 153 A CA 1.628 53.607 52.037 -0.097 0.000 0.624 153 A CB -0.841 18.102 19.000 -0.094 0.000 0.822 153 A HN 0.352 nan 8.150 nan 0.000 0.444 154 L N -0.547 120.677 121.223 0.003 0.000 2.046 154 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 154 L C 2.143 179.029 176.870 0.027 0.000 1.077 154 L CA 1.431 56.285 54.840 0.023 0.000 0.747 154 L CB -0.686 41.402 42.059 0.049 0.000 0.896 154 L HN 0.347 nan 8.230 nan 0.000 0.432 155 D N 0.283 120.705 120.400 0.038 0.000 2.123 155 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 155 D C 2.122 178.448 176.300 0.043 0.000 0.992 155 D CA 1.203 55.231 54.000 0.046 0.000 0.833 155 D CB -0.159 40.677 40.800 0.059 0.000 0.954 155 D HN 0.314 nan 8.370 nan 0.000 0.455 156 R N -0.274 120.237 120.500 0.017 0.000 2.339 156 R HA 0.136 4.476 4.340 -0.000 0.000 0.199 156 R C 1.302 177.654 176.300 0.085 0.000 1.018 156 R CA 0.588 56.711 56.100 0.037 0.000 1.036 156 R CB 0.194 30.475 30.300 -0.032 0.000 0.899 156 R HN 0.202 nan 8.270 nan 0.000 0.473 157 G N 1.071 109.903 108.800 0.053 0.000 2.175 157 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 157 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 157 G C 0.195 175.144 174.900 0.082 0.000 0.982 157 G CA -0.491 44.681 45.100 0.121 0.000 0.641 157 G HN 0.236 nan 8.290 nan 0.000 0.527 158 I N 1.471 121.964 120.570 -0.128 0.000 2.452 158 I HA 0.095 4.265 4.170 -0.000 0.000 0.287 158 I C 0.680 176.831 176.117 0.056 0.000 1.079 158 I CA -0.459 60.754 61.300 -0.144 0.000 1.387 158 I CB 0.765 38.538 38.000 -0.378 0.000 1.404 158 I HN 0.112 nan 8.210 nan 0.000 0.522 159 N N 7.250 126.061 118.700 0.186 0.000 2.671 159 N HA 0.076 4.816 4.740 -0.000 0.000 0.274 159 N C -0.833 174.799 175.510 0.203 0.000 1.188 159 N CA -0.090 53.061 53.050 0.168 0.000 1.065 159 N CB 0.254 38.825 38.487 0.141 0.000 1.415 159 N HN 0.283 nan 8.380 nan 0.000 0.511 160 V N 4.013 124.016 119.914 0.148 0.000 2.389 160 V HA 0.037 4.157 4.120 -0.000 0.000 0.264 160 V C 1.492 177.645 176.094 0.098 0.000 1.049 160 V CA -0.319 62.071 62.300 0.151 0.000 0.932 160 V CB 0.938 32.826 31.823 0.108 0.000 1.011 160 V HN 0.548 nan 8.190 nan 0.000 0.475 161 V N 2.296 122.259 119.914 0.082 0.000 3.590 161 V HA 0.754 4.874 4.120 -0.000 0.000 0.265 161 V C 0.629 176.744 176.094 0.036 0.000 1.239 161 V CA 0.847 63.169 62.300 0.036 0.000 1.117 161 V CB -0.120 31.697 31.823 -0.011 0.000 0.818 161 V HN 0.924 nan 8.190 nan 0.000 0.451 162 A N -0.635 122.218 122.820 0.056 0.000 2.540 162 A HA 0.949 5.269 4.320 -0.000 0.000 0.291 162 A C -0.978 176.648 177.584 0.070 0.000 1.083 162 A CA -0.202 51.867 52.037 0.054 0.000 0.650 162 A CB 0.863 19.887 19.000 0.041 0.000 1.292 162 A HN 1.717 nan 8.150 nan 0.000 0.435 163 A N -0.139 122.719 122.820 0.063 0.000 2.549 163 A HA 0.763 5.083 4.320 -0.000 0.000 0.297 163 A C -1.403 176.217 177.584 0.060 0.000 1.061 163 A CA -0.290 51.786 52.037 0.066 0.000 0.690 163 A CB 0.935 19.972 19.000 0.061 0.000 1.287 163 A HN 1.027 nan 8.150 nan 0.000 0.402 164 I N 2.815 123.422 120.570 0.062 0.000 2.411 164 I HA 0.354 4.524 4.170 -0.000 0.000 0.284 164 I C -0.815 175.331 176.117 0.049 0.000 1.012 164 I CA -0.274 61.062 61.300 0.061 0.000 1.119 164 I CB 1.355 39.393 38.000 0.063 0.000 1.261 164 I HN 0.486 nan 8.210 nan 0.000 0.448 165 L N 5.682 126.932 121.223 0.045 0.000 2.331 165 L HA 0.470 4.810 4.340 -0.000 0.000 0.275 165 L C 1.144 178.029 176.870 0.026 0.000 1.022 165 L CA -0.727 54.132 54.840 0.031 0.000 0.812 165 L CB 2.073 44.144 42.059 0.021 0.000 1.257 165 L HN 0.608 nan 8.230 nan 0.000 0.435 166 K N 1.572 121.980 120.400 0.014 0.000 2.044 166 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 166 K C 0.543 177.147 176.600 0.007 0.000 1.049 166 K CA 0.782 57.071 56.287 0.004 0.000 0.945 166 K CB 0.366 32.867 32.500 0.002 0.000 0.724 166 K HN 0.488 nan 8.250 nan 0.000 0.440 167 K N 0.946 121.350 120.400 0.007 0.000 2.117 167 K HA -0.004 4.316 4.320 -0.000 0.000 0.240 167 K C -0.265 176.332 176.600 -0.006 0.000 1.031 167 K CA -0.323 55.965 56.287 0.002 0.000 0.909 167 K CB 0.560 33.061 32.500 0.002 0.000 1.097 167 K HN -0.044 nan 8.250 nan 0.000 0.492 168 D N 1.259 121.649 120.400 -0.017 0.000 2.994 168 D HA 0.039 4.679 4.640 -0.000 0.000 0.240 168 D C -0.671 175.577 176.300 -0.086 0.000 1.195 168 D CA 0.187 54.168 54.000 -0.031 0.000 0.957 168 D CB -0.254 40.533 40.800 -0.022 0.000 1.105 168 D HN 0.292 nan 8.370 nan 0.000 0.477 169 D N -0.354 119.981 120.400 -0.109 0.000 2.479 169 D HA 0.123 4.763 4.640 -0.000 0.000 0.218 169 D C 1.967 178.160 176.300 -0.178 0.000 1.177 169 D CA -0.079 53.786 54.000 -0.225 0.000 0.830 169 D CB 0.543 41.165 40.800 -0.296 0.000 1.014 169 D HN 0.404 nan 8.370 nan 0.000 0.503 170 G N 1.030 109.775 108.800 -0.092 0.000 2.529 170 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 170 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 170 G C 1.657 176.517 174.900 -0.067 0.000 1.177 170 G CA 0.823 45.889 45.100 -0.056 0.000 0.773 170 G HN 0.275 nan 8.290 nan 0.000 0.573 171 V N 0.682 120.547 119.914 -0.082 0.000 2.548 171 V HA -0.028 4.092 4.120 -0.000 0.000 0.249 171 V C 2.887 178.923 176.094 -0.098 0.000 1.055 171 V CA 1.195 63.453 62.300 -0.071 0.000 1.065 171 V CB -0.245 31.541 31.823 -0.061 0.000 0.681 171 V HN 0.338 nan 8.190 nan 0.000 0.462 172 L N -0.695 120.413 121.223 -0.192 0.000 2.056 172 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 172 L C 2.445 179.228 176.870 -0.145 0.000 1.078 172 L CA 1.107 55.782 54.840 -0.274 0.000 0.749 172 L CB -0.547 41.075 42.059 -0.730 0.000 0.901 172 L HN 0.186 nan 8.230 nan 0.000 0.433 173 V N 0.054 119.893 119.914 -0.125 0.000 2.270 173 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 173 V C 2.209 178.325 176.094 0.036 0.000 1.043 173 V CA 2.185 64.497 62.300 0.020 0.000 1.014 173 V CB -0.687 31.149 31.823 0.020 0.000 0.645 173 V HN 0.511 nan 8.190 nan 0.000 0.447 174 N N 0.878 119.583 118.700 0.008 0.000 2.104 174 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 174 N C 1.553 177.077 175.510 0.024 0.000 1.024 174 N CA 1.600 54.662 53.050 0.019 0.000 0.853 174 N CB -0.292 38.200 38.487 0.009 0.000 1.008 174 N HN 0.394 nan 8.380 nan 0.000 0.424 175 N N 0.067 118.776 118.700 0.014 0.000 2.430 175 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 175 N C 0.731 176.264 175.510 0.039 0.000 1.032 175 N CA 0.792 53.854 53.050 0.021 0.000 0.893 175 N CB -0.046 38.448 38.487 0.012 0.000 0.957 175 N HN 0.422 nan 8.380 nan 0.000 0.442 176 R N -0.559 119.975 120.500 0.058 0.000 2.397 176 R HA 0.296 4.636 4.340 -0.000 0.000 0.241 176 R C 0.095 176.435 176.300 0.067 0.000 0.914 176 R CA -0.180 55.962 56.100 0.070 0.000 1.071 176 R CB 0.540 30.904 30.300 0.107 0.000 1.116 176 R HN 0.075 nan 8.270 nan 0.000 0.524 177 L N 0.822 122.082 121.223 0.061 0.000 2.439 177 L HA 0.222 4.562 4.340 -0.000 0.000 0.261 177 L C 1.417 178.319 176.870 0.053 0.000 1.153 177 L CA -0.723 54.156 54.840 0.063 0.000 0.808 177 L CB 0.552 42.647 42.059 0.060 0.000 1.126 177 L HN -0.023 nan 8.230 nan 0.000 0.460 178 R N 1.301 121.834 120.500 0.056 0.000 2.127 178 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 178 R C 0.023 176.347 176.300 0.040 0.000 1.134 178 R CA 1.184 57.312 56.100 0.047 0.000 0.975 178 R CB -0.655 29.675 30.300 0.051 0.000 0.865 178 R HN 0.635 nan 8.270 nan 0.000 0.447 179 K N -1.343 119.082 120.400 0.042 0.000 2.527 179 K HA 0.229 4.549 4.320 -0.000 0.000 0.260 179 K C -0.823 175.799 176.600 0.036 0.000 0.937 179 K CA -0.677 55.632 56.287 0.036 0.000 0.826 179 K CB 1.710 34.232 32.500 0.036 0.000 1.359 179 K HN -0.214 nan 8.250 nan 0.000 0.434 180 T N 2.478 117.050 114.554 0.030 0.000 2.902 180 T HA 0.265 4.615 4.350 -0.000 0.000 0.301 180 T C -0.383 174.335 174.700 0.030 0.000 1.012 180 T CA -0.011 62.106 62.100 0.028 0.000 1.151 180 T CB -0.175 68.706 68.868 0.023 0.000 0.946 180 T HN 0.466 nan 8.240 nan 0.000 0.542 181 L N 6.719 127.960 121.223 0.031 0.000 2.393 181 L HA 0.540 4.880 4.340 -0.000 0.000 0.260 181 L C -2.233 174.655 176.870 0.029 0.000 1.002 181 L CA -2.729 52.130 54.840 0.033 0.000 0.818 181 L CB 2.861 44.944 42.059 0.041 0.000 1.369 181 L HN 0.504 nan 8.230 nan 0.000 0.412 182 P HA 0.106 nan 4.420 nan 0.000 0.276 182 P C -0.993 176.326 177.300 0.032 0.000 1.253 182 P CA -0.105 63.012 63.100 0.028 0.000 0.766 182 P CB 1.142 32.861 31.700 0.032 0.000 0.845 183 V N 5.352 125.282 119.914 0.026 0.000 2.349 183 V HA 0.135 4.255 4.120 -0.000 0.000 0.284 183 V C 0.430 176.542 176.094 0.030 0.000 1.014 183 V CA -0.822 61.495 62.300 0.029 0.000 0.826 183 V CB 1.939 33.773 31.823 0.020 0.000 1.009 183 V HN 0.254 nan 8.190 nan 0.000 0.431 184 V N 4.331 124.273 119.914 0.048 0.000 2.408 184 V HA 0.268 4.388 4.120 -0.000 0.000 0.267 184 V C 0.269 176.417 176.094 0.090 0.000 1.047 184 V CA -0.089 62.251 62.300 0.066 0.000 0.937 184 V CB 1.217 33.098 31.823 0.097 0.000 0.999 184 V HN 0.782 nan 8.190 nan 0.000 0.472 185 D N 2.879 123.330 120.400 0.086 0.000 2.387 185 D HA 0.245 4.885 4.640 -0.000 0.000 0.251 185 D C 0.757 177.192 176.300 0.225 0.000 1.141 185 D CA -0.307 53.752 54.000 0.099 0.000 0.987 185 D CB 0.634 41.459 40.800 0.041 0.000 1.116 185 D HN 0.693 nan 8.370 nan 0.000 0.491 186 E N -0.954 119.327 120.200 0.134 0.000 2.294 186 E HA -0.167 4.183 4.350 -0.000 0.000 0.228 186 E C -0.528 176.085 176.600 0.021 0.000 1.253 186 E CA -0.110 56.361 56.400 0.118 0.000 0.716 186 E CB -1.104 28.691 29.700 0.157 0.000 1.184 186 E HN 0.056 nan 8.360 nan 0.000 0.374 187 V N 1.747 121.635 119.914 -0.042 0.000 2.326 187 V HA -0.040 4.080 4.120 -0.000 0.000 0.249 187 V C 1.728 177.751 176.094 -0.117 0.000 1.114 187 V CA 0.875 63.060 62.300 -0.192 0.000 1.028 187 V CB 0.629 32.392 31.823 -0.100 0.000 1.170 187 V HN 0.370 nan 8.190 nan 0.000 0.494 188 T N 4.295 118.769 114.554 -0.132 0.000 2.685 188 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 188 T C 1.034 175.704 174.700 -0.049 0.000 1.034 188 T CA 1.577 63.636 62.100 -0.069 0.000 1.149 188 T CB -0.162 68.669 68.868 -0.061 0.000 0.860 188 T HN 0.492 nan 8.240 nan 0.000 0.449 189 L N 1.380 122.568 121.223 -0.059 0.000 3.047 189 L HA 0.384 4.724 4.340 -0.000 0.000 0.242 189 L C 1.360 178.213 176.870 -0.028 0.000 1.315 189 L CA -0.277 54.542 54.840 -0.034 0.000 1.042 189 L CB 0.115 42.156 42.059 -0.030 0.000 1.420 189 L HN 0.110 nan 8.230 nan 0.000 0.517 190 L N 0.523 121.731 121.223 -0.025 0.000 2.043 190 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 190 L C 2.100 178.971 176.870 0.002 0.000 1.075 190 L CA 2.006 56.840 54.840 -0.010 0.000 0.752 190 L CB 0.049 42.106 42.059 -0.002 0.000 0.891 190 L HN 0.381 nan 8.230 nan 0.000 0.432 191 E N -0.536 119.666 120.200 0.002 0.000 2.393 191 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 191 E C 1.989 178.594 176.600 0.008 0.000 1.025 191 E CA 1.228 57.632 56.400 0.007 0.000 0.856 191 E CB -0.330 29.374 29.700 0.006 0.000 0.771 191 E HN 0.673 nan 8.360 nan 0.000 0.526 192 Q N -0.004 119.798 119.800 0.004 0.000 2.402 192 Q HA 0.100 4.440 4.340 -0.000 0.000 0.206 192 Q C -0.110 175.896 176.000 0.010 0.000 0.919 192 Q CA -0.055 55.751 55.803 0.005 0.000 0.923 192 Q CB 0.721 29.459 28.738 0.000 0.000 1.048 192 Q HN 0.115 nan 8.270 nan 0.000 0.515 193 V N 4.790 124.712 119.914 0.012 0.000 2.540 193 V HA 0.033 4.153 4.120 -0.000 0.000 0.297 193 V C -1.863 174.246 176.094 0.024 0.000 1.024 193 V CA -0.971 61.341 62.300 0.020 0.000 1.105 193 V CB -0.049 31.789 31.823 0.026 0.000 0.938 193 V HN 0.167 nan 8.190 nan 0.000 0.482 194 P HA 0.190 nan 4.420 nan 0.000 0.271 194 P C -0.360 176.960 177.300 0.033 0.000 1.216 194 P CA -0.179 62.935 63.100 0.023 0.000 0.771 194 P CB 0.847 32.556 31.700 0.015 0.000 0.864 195 E N 0.808 121.031 120.200 0.038 0.000 2.283 195 E HA 0.434 4.784 4.350 -0.000 0.000 0.271 195 E C 0.823 177.459 176.600 0.061 0.000 1.031 195 E CA -0.566 55.869 56.400 0.058 0.000 0.868 195 E CB 0.407 30.140 29.700 0.055 0.000 1.094 195 E HN 0.714 nan 8.360 nan 0.000 0.401 196 G N 0.703 109.562 108.800 0.098 0.000 2.198 196 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.257 196 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.257 196 G C -0.206 174.709 174.900 0.026 0.000 1.042 196 G CA 0.154 45.310 45.100 0.093 0.000 0.791 196 G HN 0.282 nan 8.290 nan 0.000 0.502 197 V N 0.758 120.673 119.914 0.003 0.000 2.769 197 V HA 0.680 4.800 4.120 -0.000 0.000 0.312 197 V C 0.765 176.797 176.094 -0.102 0.000 1.061 197 V CA -0.753 61.514 62.300 -0.056 0.000 0.931 197 V CB 2.003 33.797 31.823 -0.047 0.000 1.010 197 V HN 0.511 nan 8.190 nan 0.000 0.433 198 M N 3.439 122.927 119.600 -0.188 0.000 2.249 198 M HA 0.539 5.019 4.480 -0.000 0.000 0.340 198 M C -0.124 176.038 176.300 -0.230 0.000 1.166 198 M CA 0.513 55.660 55.300 -0.255 0.000 1.115 198 M CB 0.532 32.889 32.600 -0.405 0.000 1.606 198 M HN 0.973 nan 8.290 nan 0.000 0.448 199 A N 3.414 126.202 122.820 -0.053 0.000 2.601 199 A HA 0.887 5.207 4.320 -0.000 0.000 0.291 199 A C -1.944 175.785 177.584 0.242 0.000 1.075 199 A CA -0.376 51.755 52.037 0.157 0.000 0.671 199 A CB 1.100 20.152 19.000 0.087 0.000 1.277 199 A HN 1.119 nan 8.150 nan 0.000 0.417 200 A N 0.132 123.122 122.820 0.282 0.000 2.422 200 A HA 0.744 5.064 4.320 -0.000 0.000 0.302 200 A C -1.234 176.417 177.584 0.111 0.000 1.041 200 A CA -0.484 51.629 52.037 0.125 0.000 0.708 200 A CB 1.493 20.592 19.000 0.166 0.000 1.257 200 A HN 1.594 nan 8.150 nan 0.000 0.414 201 V N 1.643 121.594 119.914 0.063 0.000 2.604 201 V HA 0.634 4.754 4.120 -0.000 0.000 0.305 201 V C -0.223 175.915 176.094 0.074 0.000 1.043 201 V CA -0.432 61.910 62.300 0.070 0.000 0.888 201 V CB 1.702 33.557 31.823 0.055 0.000 0.995 201 V HN 0.988 nan 8.190 nan 0.000 0.429 202 E N 3.121 123.364 120.200 0.073 0.000 2.256 202 E HA 0.729 5.079 4.350 -0.000 0.000 0.268 202 E C -2.093 174.530 176.600 0.039 0.000 0.877 202 E CA -0.488 55.952 56.400 0.067 0.000 0.757 202 E CB 2.418 32.163 29.700 0.075 0.000 1.183 202 E HN 0.435 nan 8.360 nan 0.000 0.418 203 V N 3.353 123.286 119.914 0.032 0.000 2.488 203 V HA 0.551 4.671 4.120 -0.000 0.000 0.293 203 V C 0.087 176.188 176.094 0.012 0.000 1.027 203 V CA -0.535 61.775 62.300 0.015 0.000 0.862 203 V CB 1.152 32.983 31.823 0.014 0.000 1.008 203 V HN 0.864 nan 8.190 nan 0.000 0.428 204 A N 3.970 126.793 122.820 0.004 0.000 2.280 204 A HA 0.890 5.210 4.320 -0.000 0.000 0.268 204 A C 0.701 178.285 177.584 -0.000 0.000 1.111 204 A CA 0.337 52.375 52.037 0.002 0.000 0.814 204 A CB 0.576 19.573 19.000 -0.004 0.000 1.093 204 A HN 1.357 nan 8.150 nan 0.000 0.498 205 A N 0.288 123.108 122.820 0.000 0.000 2.313 205 A HA 0.594 4.914 4.320 -0.000 0.000 0.261 205 A C -2.383 175.198 177.584 -0.005 0.000 1.090 205 A CA -1.394 50.643 52.037 -0.001 0.000 0.807 205 A CB -0.809 18.192 19.000 0.001 0.000 1.055 205 A HN 0.590 nan 8.150 nan 0.000 0.492 206 P HA 0.147 nan 4.420 nan 0.000 0.261 206 P C 0.980 178.275 177.300 -0.008 0.000 1.173 206 P CA 2.164 65.259 63.100 -0.008 0.000 0.760 206 P CB 0.296 31.992 31.700 -0.006 0.000 0.783 207 G N 1.474 110.267 108.800 -0.011 0.000 2.189 207 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.267 207 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.267 207 G C 0.179 175.072 174.900 -0.012 0.000 0.975 207 G CA -0.080 45.013 45.100 -0.011 0.000 0.644 207 G HN 0.577 nan 8.290 nan 0.000 0.537 208 Q N -0.360 119.433 119.800 -0.011 0.000 2.180 208 Q HA 0.673 5.013 4.340 -0.000 0.000 0.241 208 Q C 0.476 176.468 176.000 -0.014 0.000 0.970 208 Q CA -0.165 55.632 55.803 -0.011 0.000 0.919 208 Q CB 2.355 31.089 28.738 -0.007 0.000 1.222 208 Q HN 0.854 nan 8.270 nan 0.000 0.482 209 V N -2.320 117.585 119.914 -0.014 0.000 3.019 209 V HA 0.645 4.765 4.120 -0.000 0.000 0.317 209 V C 0.215 176.300 176.094 -0.015 0.000 1.094 209 V CA -1.100 61.190 62.300 -0.017 0.000 1.000 209 V CB 1.355 33.166 31.823 -0.020 0.000 1.060 209 V HN 0.602 nan 8.190 nan 0.000 0.443 210 V N 1.778 121.682 119.914 -0.016 0.000 2.843 210 V HA 0.510 4.630 4.120 -0.000 0.000 0.305 210 V C 1.003 177.082 176.094 -0.024 0.000 1.065 210 V CA 0.473 62.765 62.300 -0.014 0.000 1.116 210 V CB 0.405 32.221 31.823 -0.012 0.000 0.968 210 V HN 1.193 nan 8.190 nan 0.000 0.487 211 R N 2.406 122.890 120.500 -0.027 0.000 2.521 211 R HA 0.483 4.823 4.340 -0.000 0.000 0.289 211 R C 0.791 177.051 176.300 -0.066 0.000 0.936 211 R CA -0.059 56.017 56.100 -0.040 0.000 1.089 211 R CB 0.046 30.329 30.300 -0.029 0.000 1.348 211 R HN 0.629 nan 8.270 nan 0.000 0.536 212 I N 0.620 121.145 120.570 -0.075 0.000 3.136 212 I HA 0.065 4.235 4.170 -0.000 0.000 0.262 212 I C 1.653 177.673 176.117 -0.163 0.000 1.132 212 I CA 0.145 61.356 61.300 -0.148 0.000 1.450 212 I CB 0.171 38.067 38.000 -0.174 0.000 1.315 212 I HN -0.016 nan 8.210 nan 0.000 0.460 213 L N 1.033 122.200 121.223 -0.094 0.000 2.551 213 L HA -0.036 4.304 4.340 -0.000 0.000 0.228 213 L C 1.803 178.624 176.870 -0.081 0.000 1.153 213 L CA 0.741 55.531 54.840 -0.084 0.000 0.851 213 L CB -0.507 41.542 42.059 -0.016 0.000 0.959 213 L HN 0.333 nan 8.230 nan 0.000 0.451 214 S N -2.257 113.395 115.700 -0.080 0.000 2.572 214 S HA 0.099 4.569 4.470 -0.000 0.000 0.228 214 S C 0.424 174.961 174.600 -0.104 0.000 0.963 214 S CA -0.556 57.599 58.200 -0.076 0.000 0.939 214 S CB -0.217 62.949 63.200 -0.056 0.000 0.804 214 S HN 0.307 nan 8.310 nan 0.000 0.480 215 N N 1.789 120.409 118.700 -0.134 0.000 2.442 215 N HA 0.471 5.211 4.740 -0.000 0.000 0.274 215 N C -2.491 172.888 175.510 -0.218 0.000 1.002 215 N CA -2.315 50.632 53.050 -0.171 0.000 0.910 215 N CB 2.070 40.477 38.487 -0.133 0.000 1.244 215 N HN -0.186 nan 8.380 nan 0.000 0.492 216 P HA -0.129 nan 4.420 nan 0.000 0.216 216 P C 0.608 177.783 177.300 -0.208 0.000 1.153 216 P CA 1.561 64.477 63.100 -0.307 0.000 0.858 216 P CB 0.028 31.453 31.700 -0.458 0.000 0.789 217 Y N -1.477 118.762 120.300 -0.101 0.000 2.373 217 Y HA -0.031 4.519 4.550 -0.000 0.000 0.293 217 Y C 2.702 178.492 175.900 -0.183 0.000 1.129 217 Y CA 0.353 58.386 58.100 -0.112 0.000 1.226 217 Y CB -1.015 37.392 38.460 -0.090 0.000 1.000 217 Y HN -0.018 nan 8.280 nan 0.000 0.549 218 G N 0.680 109.416 108.800 -0.107 0.000 2.418 218 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 218 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 218 G C 1.538 176.156 174.900 -0.470 0.000 1.158 218 G CA 1.027 45.937 45.100 -0.318 0.000 0.771 218 G HN 0.368 nan 8.290 nan 0.000 0.545 219 I N 1.234 121.605 120.570 -0.331 0.000 2.286 219 I HA -0.079 4.091 4.170 -0.000 0.000 0.245 219 I C 3.277 179.230 176.117 -0.272 0.000 1.104 219 I CA 0.795 61.860 61.300 -0.392 0.000 1.397 219 I CB -0.244 37.577 38.000 -0.298 0.000 1.072 219 I HN 0.227 nan 8.210 nan 0.000 0.417 220 A N 0.665 123.426 122.820 -0.098 0.000 1.940 220 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 220 A C 2.386 179.990 177.584 0.034 0.000 1.176 220 A CA 2.506 54.559 52.037 0.026 0.000 0.631 220 A CB -1.083 17.976 19.000 0.098 0.000 0.814 220 A HN 0.380 nan 8.150 nan 0.000 0.446 221 T N -0.665 113.865 114.554 -0.041 0.000 2.674 221 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 221 T C 1.638 176.421 174.700 0.138 0.000 1.039 221 T CA 1.486 63.578 62.100 -0.012 0.000 1.150 221 T CB -0.489 68.297 68.868 -0.136 0.000 0.864 221 T HN 0.513 nan 8.240 nan 0.000 0.427 222 F N 0.093 120.007 119.950 -0.059 0.000 2.095 222 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 222 F C 1.821 177.763 175.800 0.238 0.000 1.104 222 F CA 0.868 58.860 58.000 -0.013 0.000 1.232 222 F CB -0.282 38.590 39.000 -0.213 0.000 0.987 222 F HN 0.193 nan 8.300 nan 0.000 0.475 223 F N 0.028 120.104 119.950 0.211 0.000 2.765 223 F HA 0.228 4.755 4.527 -0.000 0.000 0.302 223 F C 1.532 177.376 175.800 0.073 0.000 1.111 223 F CA 0.052 58.117 58.000 0.109 0.000 1.359 223 F CB -0.179 38.874 39.000 0.089 0.000 1.097 223 F HN 0.033 nan 8.300 nan 0.000 0.577 224 G N 2.787 111.735 108.800 0.247 0.000 2.393 224 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.299 224 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.299 224 G C -0.155 174.825 174.900 0.132 0.000 0.990 224 G CA -0.144 45.044 45.100 0.147 0.000 1.118 224 G HN 0.317 nan 8.290 nan 0.000 0.513 225 L N 0.426 121.736 121.223 0.144 0.000 2.418 225 L HA 0.532 4.872 4.340 -0.000 0.000 0.265 225 L C 1.401 178.321 176.870 0.085 0.000 1.143 225 L CA -0.268 54.647 54.840 0.124 0.000 0.809 225 L CB 1.256 43.401 42.059 0.143 0.000 1.124 225 L HN 0.505 nan 8.230 nan 0.000 0.456 226 S N 0.890 116.633 115.700 0.071 0.000 2.617 226 S HA 0.301 4.771 4.470 -0.000 0.000 0.269 226 S C -1.979 172.656 174.600 0.059 0.000 1.292 226 S CA -1.175 57.058 58.200 0.054 0.000 1.010 226 S CB 1.320 64.546 63.200 0.044 0.000 0.944 226 S HN 0.384 nan 8.310 nan 0.000 0.536 227 P HA -0.147 nan 4.420 nan 0.000 0.216 227 P C 1.407 178.740 177.300 0.054 0.000 1.153 227 P CA 1.376 64.510 63.100 0.058 0.000 0.858 227 P CB 0.070 31.795 31.700 0.043 0.000 0.789 228 E N -0.116 120.110 120.200 0.043 0.000 2.072 228 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 228 E C 1.775 178.401 176.600 0.042 0.000 0.985 228 E CA 1.067 57.490 56.400 0.038 0.000 0.801 228 E CB -0.190 29.528 29.700 0.031 0.000 0.750 228 E HN 0.303 nan 8.360 nan 0.000 0.452 229 E N -0.462 119.768 120.200 0.050 0.000 2.150 229 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 229 E C 2.014 178.652 176.600 0.064 0.000 0.985 229 E CA 1.325 57.761 56.400 0.059 0.000 0.814 229 E CB 0.065 29.809 29.700 0.072 0.000 0.752 229 E HN 0.222 nan 8.360 nan 0.000 0.466 230 T N 1.360 115.953 114.554 0.066 0.000 2.737 230 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 230 T C 1.802 176.519 174.700 0.029 0.000 1.038 230 T CA 1.116 63.252 62.100 0.059 0.000 1.144 230 T CB -0.169 68.759 68.868 0.099 0.000 0.866 230 T HN 0.199 nan 8.240 nan 0.000 0.434 231 Q N 0.761 120.581 119.800 0.033 0.000 2.197 231 Q HA -0.067 4.273 4.340 -0.000 0.000 0.207 231 Q C 2.565 178.572 176.000 0.012 0.000 0.984 231 Q CA 1.431 57.244 55.803 0.017 0.000 0.869 231 Q CB -0.309 28.443 28.738 0.023 0.000 0.906 231 Q HN 0.549 nan 8.270 nan 0.000 0.426 232 A N 0.996 123.830 122.820 0.023 0.000 2.067 232 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 232 A C 1.892 179.490 177.584 0.024 0.000 1.156 232 A CA 0.849 52.901 52.037 0.025 0.000 0.683 232 A CB -0.289 18.731 19.000 0.033 0.000 0.808 232 A HN 0.459 nan 8.150 nan 0.000 0.455 233 I N -3.482 117.102 120.570 0.023 0.000 3.793 233 I HA 0.141 4.311 4.170 -0.000 0.000 0.315 233 I C 1.486 177.595 176.117 -0.013 0.000 1.275 233 I CA 0.189 61.501 61.300 0.020 0.000 1.214 233 I CB -0.722 37.301 38.000 0.038 0.000 1.018 233 I HN -0.095 nan 8.210 nan 0.000 0.439 234 V N 2.245 122.142 119.914 -0.030 0.000 2.370 234 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 234 V C 0.141 176.213 176.094 -0.036 0.000 1.068 234 V CA 2.467 64.735 62.300 -0.054 0.000 1.061 234 V CB -1.907 29.884 31.823 -0.054 0.000 0.656 234 V HN 0.383 nan 8.190 nan 0.000 0.455 235 P HA -0.109 nan 4.420 nan 0.000 0.217 235 P C 1.777 179.075 177.300 -0.003 0.000 1.150 235 P CA 1.454 64.551 63.100 -0.005 0.000 0.832 235 P CB -0.020 31.683 31.700 0.006 0.000 0.787 236 I N -0.772 119.799 120.570 0.002 0.000 2.202 236 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 236 I C 2.337 178.448 176.117 -0.010 0.000 1.091 236 I CA 1.366 62.671 61.300 0.009 0.000 1.368 236 I CB -0.855 37.161 38.000 0.027 0.000 1.058 236 I HN -0.095 nan 8.210 nan 0.000 0.410 237 A N 0.975 123.775 122.820 -0.034 0.000 1.877 237 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 237 A C 2.432 179.987 177.584 -0.047 0.000 1.186 237 A CA 1.982 53.985 52.037 -0.057 0.000 0.620 237 A CB -0.706 18.236 19.000 -0.097 0.000 0.822 237 A HN 0.370 nan 8.150 nan 0.000 0.443 238 R N -0.271 120.204 120.500 -0.042 0.000 2.083 238 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 238 R C 2.209 178.497 176.300 -0.021 0.000 1.137 238 R CA 1.658 57.738 56.100 -0.034 0.000 0.951 238 R CB -0.477 29.807 30.300 -0.027 0.000 0.851 238 R HN 0.411 nan 8.270 nan 0.000 0.434 239 A N 0.638 123.452 122.820 -0.010 0.000 2.019 239 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 239 A C 2.025 179.608 177.584 -0.002 0.000 1.164 239 A CA 1.116 53.153 52.037 -0.000 0.000 0.644 239 A CB -0.307 18.700 19.000 0.011 0.000 0.805 239 A HN 0.393 nan 8.150 nan 0.000 0.449 240 L N -0.348 120.870 121.223 -0.008 0.000 2.567 240 L HA 0.206 4.546 4.340 -0.000 0.000 0.225 240 L C 0.212 177.071 176.870 -0.019 0.000 1.119 240 L CA -0.365 54.470 54.840 -0.009 0.000 0.871 240 L CB -0.250 41.805 42.059 -0.007 0.000 1.036 240 L HN 0.260 nan 8.230 nan 0.000 0.459 241 I N 0.973 121.528 120.570 -0.026 0.000 2.826 241 I HA -0.087 4.083 4.170 -0.000 0.000 0.295 241 I C 1.514 177.615 176.117 -0.026 0.000 1.213 241 I CA 1.185 62.467 61.300 -0.030 0.000 1.436 241 I CB 0.234 38.214 38.000 -0.033 0.000 1.348 241 I HN 0.389 nan 8.210 nan 0.000 0.570 242 G N 4.066 112.850 108.800 -0.026 0.000 2.241 242 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 242 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 242 G C 0.291 175.175 174.900 -0.026 0.000 0.998 242 G CA -0.249 44.835 45.100 -0.026 0.000 0.621 242 G HN 0.585 nan 8.290 nan 0.000 0.519 243 N N -0.192 118.493 118.700 -0.025 0.000 2.415 243 N HA 0.476 5.216 4.740 -0.000 0.000 0.248 243 N C 1.260 176.752 175.510 -0.029 0.000 1.271 243 N CA 0.152 53.185 53.050 -0.029 0.000 0.913 243 N CB 0.626 39.098 38.487 -0.025 0.000 1.129 243 N HN 0.381 nan 8.380 nan 0.000 0.444 244 R N -0.232 120.245 120.500 -0.038 0.000 2.265 244 R HA 0.254 4.594 4.340 -0.000 0.000 0.194 244 R C -0.450 175.832 176.300 -0.030 0.000 0.931 244 R CA 0.353 56.433 56.100 -0.032 0.000 1.032 244 R CB 0.358 30.636 30.300 -0.037 0.000 0.980 244 R HN 0.437 nan 8.270 nan 0.000 0.497 245 S N -0.872 114.803 115.700 -0.042 0.000 2.569 245 S HA 0.821 5.291 4.470 -0.000 0.000 0.280 245 S C -1.642 172.948 174.600 -0.015 0.000 1.111 245 S CA -0.427 57.755 58.200 -0.031 0.000 0.887 245 S CB 2.167 65.330 63.200 -0.062 0.000 1.095 245 S HN 0.357 nan 8.310 nan 0.000 0.476 246 A N 1.290 124.121 122.820 0.018 0.000 2.597 246 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 246 A C -1.976 175.649 177.584 0.068 0.000 1.057 246 A CA -0.571 51.491 52.037 0.043 0.000 0.674 246 A CB 1.101 20.119 19.000 0.030 0.000 1.278 246 A HN 0.693 nan 8.150 nan 0.000 0.416 247 V N 0.784 120.750 119.914 0.086 0.000 2.733 247 V HA 0.618 4.738 4.120 -0.000 0.000 0.306 247 V C -0.797 175.365 176.094 0.114 0.000 1.084 247 V CA -0.564 61.797 62.300 0.102 0.000 0.905 247 V CB 1.753 33.638 31.823 0.104 0.000 1.010 247 V HN 0.885 nan 8.190 nan 0.000 0.424 248 V N 5.842 125.848 119.914 0.152 0.000 2.540 248 V HA 0.617 4.737 4.120 -0.000 0.000 0.302 248 V C -0.737 175.553 176.094 0.326 0.000 1.035 248 V CA -0.582 61.840 62.300 0.203 0.000 0.873 248 V CB 1.848 33.767 31.823 0.160 0.000 0.992 248 V HN 0.661 nan 8.190 nan 0.000 0.428 249 L N 3.808 125.183 121.223 0.253 0.000 2.346 249 L HA 0.559 4.899 4.340 -0.000 0.000 0.274 249 L C 0.007 176.924 176.870 0.079 0.000 1.007 249 L CA -0.391 54.540 54.840 0.152 0.000 0.818 249 L CB 1.586 43.687 42.059 0.069 0.000 1.284 249 L HN 0.541 nan 8.230 nan 0.000 0.424 250 K N 2.144 122.395 120.400 -0.248 0.000 2.231 250 K HA 0.390 4.710 4.320 -0.000 0.000 0.275 250 K C -0.684 175.814 176.600 -0.170 0.000 1.105 250 K CA -0.224 55.847 56.287 -0.361 0.000 0.931 250 K CB 0.203 32.141 32.500 -0.937 0.000 1.296 250 K HN 0.794 nan 8.250 nan 0.000 0.446 251 T N 1.684 116.204 114.554 -0.057 0.000 2.918 251 T HA 0.324 4.674 4.350 -0.000 0.000 0.286 251 T C -1.790 172.899 174.700 -0.018 0.000 1.026 251 T CA -1.975 60.105 62.100 -0.033 0.000 1.031 251 T CB 1.448 70.314 68.868 -0.003 0.000 1.046 251 T HN 0.237 nan 8.240 nan 0.000 0.479 252 P HA -0.189 nan 4.420 nan 0.000 0.214 252 P C 1.387 178.691 177.300 0.007 0.000 1.164 252 P CA 1.348 64.444 63.100 -0.006 0.000 0.942 252 P CB 0.151 31.848 31.700 -0.004 0.000 0.791 253 Q N -2.245 117.562 119.800 0.011 0.000 2.280 253 Q HA 0.197 4.537 4.340 -0.000 0.000 0.228 253 Q C 0.919 176.933 176.000 0.024 0.000 0.857 253 Q CA 0.257 56.070 55.803 0.018 0.000 0.939 253 Q CB -0.012 28.735 28.738 0.015 0.000 1.114 253 Q HN 0.185 nan 8.270 nan 0.000 0.514 254 G N 3.588 112.402 108.800 0.023 0.000 2.228 254 G HA2 0.029 3.989 3.960 -0.000 0.000 0.242 254 G HA3 0.029 3.989 3.960 -0.000 0.000 0.242 254 G C -0.070 174.854 174.900 0.039 0.000 0.987 254 G CA 0.747 45.865 45.100 0.031 0.000 0.893 254 G HN 0.310 nan 8.290 nan 0.000 0.418 255 D N -0.615 119.807 120.400 0.036 0.000 2.671 255 D HA 0.311 4.951 4.640 -0.000 0.000 0.273 255 D C -1.351 174.967 176.300 0.031 0.000 1.264 255 D CA -0.695 53.327 54.000 0.036 0.000 0.788 255 D CB 1.267 42.085 40.800 0.030 0.000 1.324 255 D HN 0.375 nan 8.370 nan 0.000 0.424 256 V N 0.817 120.749 119.914 0.029 0.000 2.409 256 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 256 V C -0.394 175.713 176.094 0.021 0.000 1.020 256 V CA -0.507 61.809 62.300 0.026 0.000 0.848 256 V CB 1.217 33.055 31.823 0.025 0.000 0.990 256 V HN 0.599 nan 8.190 nan 0.000 0.430 257 Q N 2.922 122.734 119.800 0.021 0.000 2.347 257 Q HA 0.726 5.066 4.340 -0.000 0.000 0.271 257 Q C -1.239 174.773 176.000 0.019 0.000 1.064 257 Q CA -0.678 55.136 55.803 0.018 0.000 0.800 257 Q CB 2.331 31.080 28.738 0.017 0.000 1.304 257 Q HN 0.468 nan 8.270 nan 0.000 0.438 258 S N 2.532 118.243 115.700 0.019 0.000 2.456 258 S HA 0.639 5.109 4.470 -0.000 0.000 0.316 258 S C -0.837 173.774 174.600 0.017 0.000 1.089 258 S CA -0.843 57.369 58.200 0.021 0.000 1.101 258 S CB 0.733 63.948 63.200 0.025 0.000 0.995 258 S HN 0.695 nan 8.310 nan 0.000 0.468 259 R N 0.559 121.068 120.500 0.016 0.000 2.739 259 R HA 0.653 4.993 4.340 -0.000 0.000 0.271 259 R C -1.458 174.847 176.300 0.008 0.000 1.010 259 R CA -0.912 55.195 56.100 0.011 0.000 0.897 259 R CB 0.375 30.681 30.300 0.011 0.000 1.236 259 R HN 0.300 nan 8.270 nan 0.000 0.466 260 V N 2.859 122.775 119.914 0.003 0.000 2.763 260 V HA 0.141 4.261 4.120 -0.000 0.000 0.306 260 V C 0.728 176.822 176.094 0.000 0.000 1.059 260 V CA 0.118 62.417 62.300 -0.002 0.000 1.138 260 V CB 0.436 32.256 31.823 -0.006 0.000 0.940 260 V HN 0.690 nan 8.190 nan 0.000 0.489 261 I N 2.710 123.279 120.570 -0.001 0.000 2.608 261 I HA 0.622 4.792 4.170 -0.000 0.000 0.295 261 I C -2.521 173.596 176.117 -0.000 0.000 1.049 261 I CA -2.646 58.655 61.300 0.003 0.000 1.063 261 I CB 2.284 40.289 38.000 0.008 0.000 1.248 261 I HN 0.404 nan 8.210 nan 0.000 0.424 262 P HA 0.037 nan 4.420 nan 0.000 0.262 262 P C 0.086 177.386 177.300 0.000 0.000 1.199 262 P CA 0.118 63.217 63.100 -0.001 0.000 0.763 262 P CB 1.426 33.127 31.700 0.002 0.000 0.790 263 A N 3.130 125.947 122.820 -0.005 0.000 2.259 263 A HA 0.587 4.907 4.320 -0.000 0.000 0.213 263 A C 0.961 178.540 177.584 -0.008 0.000 1.209 263 A CA 0.739 52.776 52.037 -0.000 0.000 0.910 263 A CB -0.155 18.842 19.000 -0.004 0.000 0.946 263 A HN 0.804 nan 8.150 nan 0.000 0.497 264 G N -0.715 108.073 108.800 -0.019 0.000 2.384 264 G HA2 0.033 3.993 3.960 -0.000 0.000 0.668 264 G HA3 0.033 3.993 3.960 -0.000 0.000 0.668 264 G C -1.425 173.428 174.900 -0.078 0.000 1.280 264 G CA -0.382 44.702 45.100 -0.028 0.000 0.992 264 G HN 0.412 nan 8.290 nan 0.000 0.512 265 N N -1.039 117.578 118.700 -0.140 0.000 2.405 265 N HA 0.689 5.429 4.740 -0.000 0.000 0.285 265 N C -0.998 174.240 175.510 -0.454 0.000 1.262 265 N CA -0.645 52.214 53.050 -0.318 0.000 0.773 265 N CB 2.244 40.459 38.487 -0.453 0.000 1.490 265 N HN 0.505 nan 8.380 nan 0.000 0.486 266 L N 1.752 122.691 121.223 -0.474 0.000 2.333 266 L HA 0.440 4.780 4.340 -0.000 0.000 0.280 266 L C -1.180 175.410 176.870 -0.468 0.000 1.004 266 L CA -0.746 53.885 54.840 -0.348 0.000 0.820 266 L CB 0.916 42.883 42.059 -0.154 0.000 1.247 266 L HN 0.460 nan 8.230 nan 0.000 0.416 267 Y N 4.138 124.443 120.300 0.008 0.000 2.491 267 Y HA 0.448 4.998 4.550 -0.000 0.000 0.334 267 Y C 0.147 176.057 175.900 0.016 0.000 0.969 267 Y CA -0.553 57.553 58.100 0.010 0.000 1.241 267 Y CB 0.668 39.134 38.460 0.010 0.000 1.105 267 Y HN 0.356 nan 8.280 nan 0.000 0.503 268 I N 2.813 123.446 120.570 0.104 0.000 2.325 268 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 268 I C -0.074 176.090 176.117 0.078 0.000 1.019 268 I CA -0.210 61.134 61.300 0.074 0.000 1.302 268 I CB 1.005 39.025 38.000 0.034 0.000 1.401 268 I HN 0.473 nan 8.210 nan 0.000 0.485 269 S N 4.822 120.568 115.700 0.077 0.000 2.423 269 S HA 0.460 4.929 4.470 -0.000 0.000 0.317 269 S C 0.453 175.077 174.600 0.040 0.000 1.065 269 S CA -0.662 57.576 58.200 0.063 0.000 1.111 269 S CB 1.133 64.379 63.200 0.077 0.000 0.968 269 S HN 0.822 nan 8.310 nan 0.000 0.474 270 G N 1.094 109.911 108.800 0.027 0.000 2.547 270 G HA2 0.290 4.250 3.960 -0.000 0.000 0.291 270 G HA3 0.290 4.250 3.960 -0.000 0.000 0.291 270 G C 0.553 175.453 174.900 0.001 0.000 1.211 270 G CA -0.478 44.630 45.100 0.013 0.000 0.950 270 G HN 0.692 nan 8.290 nan 0.000 0.504 271 E N -0.776 119.420 120.200 -0.007 0.000 2.204 271 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 271 E C 1.787 178.381 176.600 -0.010 0.000 0.989 271 E CA 1.071 57.461 56.400 -0.016 0.000 0.824 271 E CB 0.046 29.735 29.700 -0.019 0.000 0.756 271 E HN 0.519 nan 8.360 nan 0.000 0.477 272 K N -0.946 119.452 120.400 -0.003 0.000 2.362 272 K HA 0.199 4.519 4.320 -0.000 0.000 0.203 272 K C 1.070 177.672 176.600 0.004 0.000 1.198 272 K CA -0.105 56.182 56.287 -0.001 0.000 0.908 272 K CB 0.589 33.088 32.500 -0.001 0.000 1.236 272 K HN -0.117 nan 8.250 nan 0.000 0.487 273 R N 0.584 121.088 120.500 0.007 0.000 2.748 273 R HA 0.461 4.801 4.340 -0.000 0.000 0.220 273 R C -0.196 176.116 176.300 0.020 0.000 1.404 273 R CA -0.755 55.352 56.100 0.012 0.000 1.039 273 R CB 0.727 31.034 30.300 0.012 0.000 1.904 273 R HN -0.101 nan 8.270 nan 0.000 0.529 274 R N -0.806 119.710 120.500 0.026 0.000 2.668 274 R HA 0.492 4.832 4.340 -0.000 0.000 0.272 274 R C -1.538 174.786 176.300 0.040 0.000 1.019 274 R CA -0.457 55.667 56.100 0.039 0.000 0.894 274 R CB 2.351 32.677 30.300 0.044 0.000 1.228 274 R HN 0.804 nan 8.270 nan 0.000 0.460 275 G N 1.232 110.062 108.800 0.050 0.000 2.695 275 G HA2 0.497 4.457 3.960 -0.000 0.000 0.290 275 G HA3 0.497 4.457 3.960 -0.000 0.000 0.290 275 G C -1.626 173.297 174.900 0.040 0.000 1.410 275 G CA -0.376 44.745 45.100 0.036 0.000 0.844 275 G HN 0.482 nan 8.290 nan 0.000 0.478 276 E N -1.293 118.909 120.200 0.003 0.000 2.383 276 E HA 0.643 4.993 4.350 -0.000 0.000 0.275 276 E C -1.109 175.441 176.600 -0.084 0.000 0.918 276 E CA -0.961 55.405 56.400 -0.057 0.000 0.764 276 E CB 2.658 32.345 29.700 -0.021 0.000 1.252 276 E HN 0.827 nan 8.360 nan 0.000 0.449 277 A N 2.174 124.906 122.820 -0.147 0.000 2.427 277 A HA 0.353 4.673 4.320 -0.000 0.000 0.298 277 A C -1.535 175.965 177.584 -0.141 0.000 1.036 277 A CA -0.725 51.244 52.037 -0.113 0.000 0.701 277 A CB 1.582 20.527 19.000 -0.092 0.000 1.250 277 A HN 0.520 nan 8.150 nan 0.000 0.412 278 D N 2.838 123.179 120.400 -0.097 0.000 2.380 278 D HA 0.287 4.927 4.640 -0.000 0.000 0.230 278 D C 1.306 177.561 176.300 -0.074 0.000 1.154 278 D CA -0.142 53.806 54.000 -0.086 0.000 0.859 278 D CB 1.168 41.934 40.800 -0.056 0.000 1.045 278 D HN 0.154 nan 8.370 nan 0.000 0.495 279 V N 4.258 124.124 119.914 -0.080 0.000 2.370 279 V HA -0.311 3.809 4.120 -0.000 0.000 0.252 279 V C 2.387 178.449 176.094 -0.054 0.000 1.068 279 V CA 2.290 64.552 62.300 -0.064 0.000 1.061 279 V CB -0.819 30.973 31.823 -0.053 0.000 0.656 279 V HN 0.710 nan 8.190 nan 0.000 0.455 280 A N -0.859 121.933 122.820 -0.046 0.000 2.216 280 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 280 A C 1.930 179.487 177.584 -0.044 0.000 1.160 280 A CA 1.149 53.161 52.037 -0.041 0.000 0.725 280 A CB -0.418 18.564 19.000 -0.029 0.000 0.784 280 A HN 0.681 nan 8.150 nan 0.000 0.472 281 E N -0.711 119.462 120.200 -0.046 0.000 2.463 281 E HA 0.372 4.722 4.350 -0.000 0.000 0.193 281 E C 0.672 177.243 176.600 -0.049 0.000 1.041 281 E CA 0.172 56.546 56.400 -0.043 0.000 0.879 281 E CB 0.070 29.747 29.700 -0.038 0.000 0.997 281 E HN 0.657 nan 8.360 nan 0.000 0.478 282 G N 0.615 109.379 108.800 -0.060 0.000 2.662 282 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 282 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 282 G C 0.495 175.357 174.900 -0.062 0.000 1.271 282 G CA -0.528 44.531 45.100 -0.069 0.000 0.816 282 G HN 0.149 nan 8.290 nan 0.000 0.608 283 A N -0.208 122.572 122.820 -0.067 0.000 1.969 283 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 283 A C 2.066 179.623 177.584 -0.044 0.000 1.169 283 A CA 2.354 54.357 52.037 -0.057 0.000 0.635 283 A CB -0.419 18.545 19.000 -0.060 0.000 0.810 283 A HN 1.099 nan 8.150 nan 0.000 0.445 284 E N 0.028 120.204 120.200 -0.040 0.000 2.058 284 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 284 E C 2.108 178.691 176.600 -0.028 0.000 0.997 284 E CA 1.198 57.581 56.400 -0.029 0.000 0.801 284 E CB -0.273 29.412 29.700 -0.024 0.000 0.746 284 E HN 0.538 nan 8.360 nan 0.000 0.450 285 A N 0.748 123.549 122.820 -0.032 0.000 2.019 285 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 285 A C 2.114 179.677 177.584 -0.035 0.000 1.164 285 A CA 1.124 53.142 52.037 -0.031 0.000 0.644 285 A CB -0.507 18.472 19.000 -0.034 0.000 0.805 285 A HN 0.346 nan 8.150 nan 0.000 0.449 286 I N -0.972 119.574 120.570 -0.040 0.000 2.286 286 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 286 I C 2.437 178.534 176.117 -0.032 0.000 1.104 286 I CA 0.917 62.192 61.300 -0.043 0.000 1.397 286 I CB -0.283 37.688 38.000 -0.048 0.000 1.072 286 I HN 0.249 nan 8.210 nan 0.000 0.417 287 M N -0.188 119.395 119.600 -0.028 0.000 2.200 287 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 287 M C 2.255 178.545 176.300 -0.017 0.000 1.066 287 M CA 1.444 56.731 55.300 -0.021 0.000 1.127 287 M CB -1.125 31.463 32.600 -0.021 0.000 1.379 287 M HN 0.218 nan 8.290 nan 0.000 0.420 288 Q N 0.039 119.829 119.800 -0.017 0.000 2.135 288 Q HA -0.043 4.297 4.340 -0.000 0.000 0.204 288 Q C 2.171 178.164 176.000 -0.012 0.000 0.981 288 Q CA 1.914 57.709 55.803 -0.013 0.000 0.856 288 Q CB -0.486 28.244 28.738 -0.013 0.000 0.902 288 Q HN 0.557 nan 8.270 nan 0.000 0.425 289 A N 0.089 122.899 122.820 -0.016 0.000 1.929 289 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 289 A C 2.058 179.637 177.584 -0.008 0.000 1.176 289 A CA 1.135 53.164 52.037 -0.013 0.000 0.628 289 A CB -0.301 18.685 19.000 -0.023 0.000 0.816 289 A HN 0.226 nan 8.150 nan 0.000 0.444 290 M N -0.433 119.161 119.600 -0.010 0.000 2.080 290 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 290 M C 2.496 178.795 176.300 -0.002 0.000 1.068 290 M CA 1.945 57.242 55.300 -0.005 0.000 1.109 290 M CB -1.473 31.123 32.600 -0.007 0.000 1.342 290 M HN 0.503 nan 8.290 nan 0.000 0.405 291 S N 0.157 115.854 115.700 -0.005 0.000 2.368 291 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 291 S C 1.954 176.553 174.600 -0.002 0.000 1.030 291 S CA 1.456 59.654 58.200 -0.004 0.000 0.999 291 S CB -0.156 63.041 63.200 -0.005 0.000 0.844 291 S HN 0.503 nan 8.310 nan 0.000 0.459 292 A N -0.499 122.320 122.820 -0.002 0.000 2.015 292 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 292 A C 2.113 179.699 177.584 0.003 0.000 1.163 292 A CA 1.442 53.480 52.037 0.000 0.000 0.646 292 A CB -0.822 18.178 19.000 0.000 0.000 0.806 292 A HN 0.692 nan 8.150 nan 0.000 0.448 293 C N -0.545 118.757 119.300 0.005 0.000 2.906 293 C HA 0.587 5.047 4.460 -0.000 0.000 0.274 293 C C 1.473 176.467 174.990 0.006 0.000 1.257 293 C CA -0.760 58.262 59.018 0.008 0.000 1.695 293 C CB -1.663 26.085 27.740 0.014 0.000 1.958 293 C HN 0.655 nan 8.230 nan 0.000 0.619 294 A N 2.352 125.174 122.820 0.004 0.000 2.540 294 A HA 0.413 4.733 4.320 -0.000 0.000 0.239 294 A C -2.313 175.271 177.584 0.000 0.000 1.061 294 A CA -0.069 51.969 52.037 0.002 0.000 0.758 294 A CB -0.287 18.713 19.000 0.000 0.000 0.991 294 A HN 0.347 nan 8.150 nan 0.000 0.502 295 P HA 0.347 nan 4.420 nan 0.000 0.286 295 P C -0.590 176.711 177.300 0.002 0.000 1.269 295 P CA -0.387 62.713 63.100 0.001 0.000 0.787 295 P CB 1.110 32.809 31.700 -0.003 0.000 0.920 296 V N 4.470 124.390 119.914 0.009 0.000 2.715 296 V HA 0.114 4.234 4.120 -0.000 0.000 0.299 296 V C 1.670 177.771 176.094 0.012 0.000 1.054 296 V CA 0.421 62.731 62.300 0.016 0.000 1.077 296 V CB 0.996 32.833 31.823 0.024 0.000 0.972 296 V HN 0.545 nan 8.190 nan 0.000 0.484 297 R N 1.532 122.039 120.500 0.012 0.000 2.191 297 R HA 0.254 4.594 4.340 -0.000 0.000 0.196 297 R C -0.036 176.301 176.300 0.062 0.000 0.991 297 R CA 0.494 56.585 56.100 -0.015 0.000 1.075 297 R CB 0.390 30.651 30.300 -0.064 0.000 1.040 297 R HN 0.870 nan 8.270 nan 0.000 0.526 298 D N -1.399 119.066 120.400 0.107 0.000 2.623 298 D HA 0.398 5.038 4.640 -0.000 0.000 0.241 298 D C -1.405 174.965 176.300 0.117 0.000 1.241 298 D CA -0.459 53.645 54.000 0.173 0.000 0.788 298 D CB 1.622 42.601 40.800 0.299 0.000 1.413 298 D HN -0.018 nan 8.370 nan 0.000 0.429 299 I N 1.063 121.696 120.570 0.105 0.000 2.686 299 I HA 0.541 4.711 4.170 -0.000 0.000 0.295 299 I C -0.466 175.707 176.117 0.092 0.000 1.114 299 I CA -0.859 60.494 61.300 0.088 0.000 1.038 299 I CB 2.663 40.699 38.000 0.059 0.000 1.238 299 I HN 0.202 nan 8.210 nan 0.000 0.420 300 R N 2.559 123.135 120.500 0.127 0.000 2.740 300 R HA 0.798 5.137 4.340 -0.000 0.000 0.273 300 R C -1.135 175.285 176.300 0.200 0.000 0.998 300 R CA -0.494 55.695 56.100 0.147 0.000 0.900 300 R CB 2.457 32.846 30.300 0.149 0.000 1.223 300 R HN 0.832 nan 8.270 nan 0.000 0.466 301 G N 0.996 109.889 108.800 0.155 0.000 2.788 301 G HA2 0.351 4.311 3.960 -0.000 0.000 0.293 301 G HA3 0.351 4.311 3.960 -0.000 0.000 0.293 301 G C -1.206 173.805 174.900 0.186 0.000 1.305 301 G CA -0.660 44.521 45.100 0.135 0.000 1.005 301 G HN 0.580 nan 8.290 nan 0.000 0.496 302 E N 0.634 120.928 120.200 0.156 0.000 2.313 302 E HA 0.249 4.599 4.350 -0.000 0.000 0.276 302 E C -2.142 174.492 176.600 0.058 0.000 1.031 302 E CA -1.194 55.291 56.400 0.141 0.000 0.857 302 E CB 1.284 31.058 29.700 0.124 0.000 1.040 302 E HN 0.133 nan 8.360 nan 0.000 0.408 303 P HA 0.028 nan 4.420 nan 0.000 0.270 303 P C 0.512 177.804 177.300 -0.013 0.000 1.223 303 P CA 0.495 63.599 63.100 0.007 0.000 0.785 303 P CB 0.603 32.304 31.700 0.001 0.000 0.923 304 G N 0.101 108.880 108.800 -0.034 0.000 2.179 304 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 304 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 304 G C 0.375 175.207 174.900 -0.114 0.000 0.977 304 G CA 0.573 45.635 45.100 -0.063 0.000 0.641 304 G HN 0.855 nan 8.290 nan 0.000 0.533 305 T N -3.778 110.718 114.554 -0.097 0.000 2.936 305 T HA 0.665 5.015 4.350 -0.000 0.000 0.282 305 T C 0.998 175.608 174.700 -0.151 0.000 1.003 305 T CA 0.351 62.370 62.100 -0.135 0.000 1.005 305 T CB 1.519 70.362 68.868 -0.041 0.000 1.097 305 T HN 0.231 nan 8.240 nan 0.000 0.532 306 H N 0.437 119.506 119.070 -0.001 0.000 2.333 306 H HA 0.185 4.741 4.556 -0.000 0.000 0.302 306 H C 2.543 177.868 175.328 -0.004 0.000 1.075 306 H CA 1.673 57.719 56.048 -0.003 0.000 1.348 306 H CB -0.355 29.403 29.762 -0.007 0.000 1.393 306 H HN 0.778 nan 8.280 nan 0.000 0.509 307 A N 0.678 123.565 122.820 0.113 0.000 1.877 307 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 307 A C 2.655 180.262 177.584 0.039 0.000 1.186 307 A CA 1.671 53.741 52.037 0.056 0.000 0.620 307 A CB -1.370 17.647 19.000 0.028 0.000 0.822 307 A HN 0.513 nan 8.150 nan 0.000 0.443 308 G N -0.595 108.224 108.800 0.031 0.000 2.459 308 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.217 308 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.217 308 G C 1.593 176.506 174.900 0.023 0.000 1.183 308 G CA 1.381 46.499 45.100 0.030 0.000 0.776 308 G HN 0.777 nan 8.290 nan 0.000 0.552 309 G N 0.337 109.146 108.800 0.014 0.000 2.442 309 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 309 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 309 G C 1.751 176.665 174.900 0.024 0.000 1.141 309 G CA 1.274 46.383 45.100 0.014 0.000 0.763 309 G HN 0.354 nan 8.290 nan 0.000 0.554 310 M N 0.281 119.902 119.600 0.035 0.000 2.132 310 M HA 0.068 4.548 4.480 -0.000 0.000 0.263 310 M C 2.516 178.828 176.300 0.020 0.000 1.065 310 M CA 1.236 56.553 55.300 0.030 0.000 1.122 310 M CB -0.592 32.028 32.600 0.034 0.000 1.365 310 M HN 0.243 nan 8.290 nan 0.000 0.411 311 L N 0.246 121.481 121.223 0.021 0.000 2.042 311 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 311 L C 2.458 179.334 176.870 0.010 0.000 1.076 311 L CA 1.312 56.163 54.840 0.018 0.000 0.749 311 L CB -0.787 41.288 42.059 0.027 0.000 0.893 311 L HN 0.285 nan 8.230 nan 0.000 0.432 312 E N -0.385 119.820 120.200 0.009 0.000 2.107 312 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 312 E C 2.098 178.696 176.600 -0.002 0.000 0.982 312 E CA 0.651 57.051 56.400 -0.001 0.000 0.809 312 E CB -0.235 29.464 29.700 -0.001 0.000 0.756 312 E HN 0.366 nan 8.360 nan 0.000 0.459 313 R N 0.878 121.381 120.500 0.004 0.000 2.081 313 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 313 R C 2.199 178.499 176.300 0.000 0.000 1.131 313 R CA 1.345 57.447 56.100 0.004 0.000 0.960 313 R CB -0.094 30.212 30.300 0.010 0.000 0.856 313 R HN 0.016 nan 8.270 nan 0.000 0.436 314 V N 0.923 120.838 119.914 0.001 0.000 2.295 314 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 314 V C 2.573 178.661 176.094 -0.009 0.000 1.049 314 V CA 2.076 64.375 62.300 -0.002 0.000 1.024 314 V CB -0.691 31.134 31.823 0.002 0.000 0.648 314 V HN 0.398 nan 8.190 nan 0.000 0.447 315 R N 0.280 120.773 120.500 -0.012 0.000 2.097 315 R HA -0.251 4.089 4.340 -0.000 0.000 0.236 315 R C 2.508 178.793 176.300 -0.025 0.000 1.135 315 R CA 2.350 58.435 56.100 -0.025 0.000 0.934 315 R CB -0.347 29.931 30.300 -0.035 0.000 0.846 315 R HN 0.473 nan 8.270 nan 0.000 0.431 316 K N 0.002 120.391 120.400 -0.018 0.000 2.044 316 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 316 K C 1.922 178.514 176.600 -0.012 0.000 1.049 316 K CA 1.965 58.243 56.287 -0.014 0.000 0.927 316 K CB -0.121 32.374 32.500 -0.009 0.000 0.713 316 K HN 0.085 nan 8.250 nan 0.000 0.443 317 V N 1.170 121.077 119.914 -0.011 0.000 2.324 317 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 317 V C 2.427 178.510 176.094 -0.019 0.000 1.060 317 V CA 2.093 64.387 62.300 -0.011 0.000 1.042 317 V CB -0.441 31.378 31.823 -0.008 0.000 0.650 317 V HN 0.477 nan 8.190 nan 0.000 0.450 318 M N 0.351 119.936 119.600 -0.025 0.000 2.200 318 M HA 0.064 4.544 4.480 -0.000 0.000 0.265 318 M C 2.025 178.294 176.300 -0.052 0.000 1.066 318 M CA 1.833 57.108 55.300 -0.041 0.000 1.127 318 M CB -0.794 31.781 32.600 -0.042 0.000 1.379 318 M HN 0.249 nan 8.290 nan 0.000 0.420 319 A N -0.964 121.837 122.820 -0.033 0.000 1.841 319 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 319 A C 2.342 179.925 177.584 -0.001 0.000 1.199 319 A CA 2.539 54.571 52.037 -0.009 0.000 0.621 319 A CB -1.695 17.306 19.000 0.002 0.000 0.835 319 A HN 0.580 nan 8.150 nan 0.000 0.445 320 S N -0.824 114.874 115.700 -0.002 0.000 2.392 320 S HA -0.200 4.270 4.470 -0.000 0.000 0.232 320 S C 1.924 176.520 174.600 -0.005 0.000 1.041 320 S CA 1.825 60.026 58.200 0.002 0.000 1.026 320 S CB -0.525 62.674 63.200 -0.001 0.000 0.845 320 S HN 0.583 nan 8.310 nan 0.000 0.465 321 L N 1.801 123.011 121.223 -0.021 0.000 2.109 321 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 321 L C 2.110 178.953 176.870 -0.045 0.000 1.086 321 L CA 2.367 57.189 54.840 -0.030 0.000 0.760 321 L CB -0.970 41.068 42.059 -0.037 0.000 0.910 321 L HN 0.571 nan 8.230 nan 0.000 0.437 322 T N -3.596 110.908 114.554 -0.083 0.000 3.214 322 T HA 0.380 4.729 4.350 -0.000 0.000 0.264 322 T C 1.157 175.853 174.700 -0.006 0.000 1.012 322 T CA -0.012 61.999 62.100 -0.148 0.000 0.901 322 T CB -0.670 67.957 68.868 -0.400 0.000 1.070 322 T HN 0.538 nan 8.240 nan 0.000 0.561 323 G N 1.835 110.673 108.800 0.065 0.000 2.421 323 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.300 323 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.300 323 G C -0.288 174.786 174.900 0.290 0.000 0.974 323 G CA 0.313 45.495 45.100 0.136 0.000 1.062 323 G HN 0.737 nan 8.290 nan 0.000 0.514 324 H N -0.568 118.495 119.070 -0.011 0.000 2.710 324 H HA 0.571 5.127 4.556 -0.000 0.000 0.361 324 H C 0.264 175.576 175.328 -0.026 0.000 1.175 324 H CA -1.129 54.911 56.048 -0.014 0.000 1.206 324 H CB 1.028 30.783 29.762 -0.012 0.000 1.750 324 H HN 0.208 nan 8.280 nan 0.000 0.553 325 E N 1.228 121.462 120.200 0.057 0.000 2.366 325 E HA 0.037 4.387 4.350 -0.000 0.000 0.266 325 E C 0.835 177.431 176.600 -0.007 0.000 1.051 325 E CA -0.162 56.240 56.400 0.005 0.000 0.884 325 E CB 0.872 30.554 29.700 -0.029 0.000 1.006 325 E HN 0.633 nan 8.360 nan 0.000 0.417 326 M N 1.037 120.618 119.600 -0.031 0.000 2.549 326 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 326 M C 1.751 177.973 176.300 -0.130 0.000 1.076 326 M CA 0.912 56.173 55.300 -0.065 0.000 1.090 326 M CB -0.101 32.467 32.600 -0.052 0.000 1.418 326 M HN 0.368 nan 8.290 nan 0.000 0.486 327 S N -0.225 115.405 115.700 -0.116 0.000 2.453 327 S HA 0.054 4.524 4.470 -0.000 0.000 0.231 327 S C 1.709 176.148 174.600 -0.268 0.000 1.005 327 S CA 0.691 58.798 58.200 -0.155 0.000 0.949 327 S CB -0.238 62.916 63.200 -0.078 0.000 0.774 327 S HN 0.462 nan 8.310 nan 0.000 0.510 328 A N 0.685 123.387 122.820 -0.196 0.000 2.308 328 A HA 0.480 4.800 4.320 -0.000 0.000 0.217 328 A C 0.428 177.862 177.584 -0.251 0.000 1.216 328 A CA -0.265 51.688 52.037 -0.140 0.000 0.864 328 A CB -0.031 19.008 19.000 0.065 0.000 0.902 328 A HN 0.442 nan 8.150 nan 0.000 0.499 329 I N 0.943 121.278 120.570 -0.392 0.000 2.321 329 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 329 I C -1.114 174.742 176.117 -0.436 0.000 0.998 329 I CA -0.632 60.517 61.300 -0.252 0.000 1.227 329 I CB 0.097 38.031 38.000 -0.109 0.000 1.368 329 I HN 0.178 nan 8.210 nan 0.000 0.466 330 Y N 5.662 125.974 120.300 0.019 0.000 2.468 330 Y HA 0.535 5.085 4.550 -0.000 0.000 0.342 330 Y C 0.323 176.229 175.900 0.010 0.000 1.021 330 Y CA -0.984 57.126 58.100 0.017 0.000 1.079 330 Y CB 1.653 40.124 38.460 0.019 0.000 1.226 330 Y HN 0.316 nan 8.280 nan 0.000 0.460 331 I N 2.857 123.518 120.570 0.152 0.000 2.297 331 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 331 I C 0.374 176.546 176.117 0.092 0.000 1.033 331 I CA -0.132 61.222 61.300 0.091 0.000 1.253 331 I CB 1.418 39.454 38.000 0.059 0.000 1.396 331 I HN 0.727 nan 8.210 nan 0.000 0.476 332 Q N 2.639 122.483 119.800 0.073 0.000 2.311 332 Q HA 0.023 4.363 4.340 -0.000 0.000 0.203 332 Q C -0.265 175.762 176.000 0.046 0.000 0.954 332 Q CA 0.852 56.689 55.803 0.058 0.000 0.885 332 Q CB 0.212 28.980 28.738 0.050 0.000 0.963 332 Q HN 0.618 nan 8.270 nan 0.000 0.471 333 D N -1.357 119.068 120.400 0.041 0.000 2.655 333 D HA 0.531 5.171 4.640 -0.000 0.000 0.229 333 D C -1.996 174.316 176.300 0.021 0.000 1.229 333 D CA -0.580 53.439 54.000 0.031 0.000 0.807 333 D CB 1.538 42.359 40.800 0.036 0.000 1.514 333 D HN -0.027 nan 8.370 nan 0.000 0.444 334 L N 2.498 123.727 121.223 0.010 0.000 2.482 334 L HA 0.697 5.037 4.340 -0.000 0.000 0.263 334 L C -2.167 174.695 176.870 -0.013 0.000 0.957 334 L CA -0.907 53.932 54.840 -0.002 0.000 0.836 334 L CB 1.636 43.695 42.059 -0.001 0.000 1.324 334 L HN 0.475 nan 8.230 nan 0.000 0.406 335 L N 4.545 125.753 121.223 -0.025 0.000 2.341 335 L HA 0.913 5.253 4.340 -0.000 0.000 0.278 335 L C -0.743 176.101 176.870 -0.043 0.000 1.005 335 L CA -0.115 54.704 54.840 -0.036 0.000 0.818 335 L CB 1.654 43.683 42.059 -0.051 0.000 1.259 335 L HN 0.693 nan 8.230 nan 0.000 0.418 336 A N 4.857 127.651 122.820 -0.043 0.000 2.330 336 A HA 0.851 5.171 4.320 -0.000 0.000 0.327 336 A C -1.349 176.202 177.584 -0.054 0.000 1.155 336 A CA -0.513 51.495 52.037 -0.049 0.000 0.803 336 A CB 1.442 20.415 19.000 -0.046 0.000 1.208 336 A HN 0.553 nan 8.150 nan 0.000 0.477 337 V N 2.368 122.245 119.914 -0.062 0.000 2.709 337 V HA 0.338 4.458 4.120 -0.000 0.000 0.308 337 V C -1.029 175.018 176.094 -0.079 0.000 1.062 337 V CA -0.891 61.371 62.300 -0.063 0.000 0.901 337 V CB 2.190 33.975 31.823 -0.064 0.000 1.003 337 V HN 0.917 nan 8.190 nan 0.000 0.425 338 D N 2.258 122.606 120.400 -0.086 0.000 2.264 338 D HA 0.569 5.209 4.640 -0.000 0.000 0.250 338 D C 0.072 176.279 176.300 -0.155 0.000 1.113 338 D CA 0.395 54.309 54.000 -0.143 0.000 0.871 338 D CB 2.188 42.898 40.800 -0.150 0.000 1.167 338 D HN 0.669 nan 8.370 nan 0.000 0.447 339 T N 0.915 115.325 114.554 -0.239 0.000 2.598 339 T HA 0.673 5.023 4.350 -0.000 0.000 0.289 339 T C -1.708 172.764 174.700 -0.381 0.000 1.056 339 T CA -0.468 61.544 62.100 -0.146 0.000 1.088 339 T CB 0.460 69.319 68.868 -0.016 0.000 1.519 339 T HN 0.162 nan 8.240 nan 0.000 0.488 340 F N 0.568 120.509 119.950 -0.015 0.000 2.588 340 F HA 0.737 5.264 4.527 -0.000 0.000 0.310 340 F C -0.828 174.964 175.800 -0.013 0.000 1.082 340 F CA -0.971 57.022 58.000 -0.011 0.000 0.929 340 F CB 1.736 40.731 39.000 -0.007 0.000 1.254 340 F HN 0.367 nan 8.300 nan 0.000 0.455 341 I N 1.748 122.417 120.570 0.165 0.000 2.498 341 I HA 0.547 4.717 4.170 -0.000 0.000 0.290 341 I C -2.834 173.335 176.117 0.087 0.000 1.032 341 I CA -2.677 58.675 61.300 0.088 0.000 1.073 341 I CB 1.465 39.486 38.000 0.035 0.000 1.251 341 I HN 0.173 nan 8.210 nan 0.000 0.426 342 P HA 0.353 nan 4.420 nan 0.000 0.281 342 P C -0.922 176.403 177.300 0.041 0.000 1.252 342 P CA -0.394 62.737 63.100 0.051 0.000 0.778 342 P CB 1.005 32.726 31.700 0.036 0.000 0.895 343 R N 2.101 122.626 120.500 0.041 0.000 2.750 343 R HA 0.387 4.726 4.340 -0.000 0.000 0.281 343 R C 0.074 176.393 176.300 0.031 0.000 0.972 343 R CA -1.186 54.934 56.100 0.034 0.000 0.912 343 R CB 2.169 32.490 30.300 0.035 0.000 1.187 343 R HN 0.476 nan 8.270 nan 0.000 0.464 344 K N 1.255 121.671 120.400 0.027 0.000 2.401 344 K HA 0.123 4.443 4.320 -0.000 0.000 0.278 344 K C -0.409 176.206 176.600 0.025 0.000 1.018 344 K CA -0.197 56.105 56.287 0.025 0.000 0.981 344 K CB 0.727 33.239 32.500 0.021 0.000 0.933 344 K HN 0.245 nan 8.250 nan 0.000 0.477 345 V N 5.975 125.904 119.914 0.025 0.000 2.405 345 V HA 0.015 4.135 4.120 -0.000 0.000 0.264 345 V C 0.138 176.245 176.094 0.020 0.000 1.048 345 V CA -0.501 61.814 62.300 0.025 0.000 0.966 345 V CB 0.913 32.752 31.823 0.028 0.000 1.015 345 V HN 0.768 nan 8.190 nan 0.000 0.477 346 Q N 3.141 122.953 119.800 0.020 0.000 2.330 346 Q HA 0.269 4.609 4.340 -0.000 0.000 0.279 346 Q C 1.360 177.369 176.000 0.016 0.000 1.024 346 Q CA 1.129 56.941 55.803 0.017 0.000 0.900 346 Q CB 0.788 29.536 28.738 0.017 0.000 1.221 346 Q HN 1.127 nan 8.270 nan 0.000 0.396 347 G N 1.769 110.576 108.800 0.013 0.000 2.258 347 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.233 347 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.233 347 G C 0.572 175.478 174.900 0.010 0.000 1.006 347 G CA -0.149 44.958 45.100 0.012 0.000 0.620 347 G HN 0.904 nan 8.290 nan 0.000 0.511 348 G N -0.186 108.620 108.800 0.010 0.000 2.432 348 G HA2 0.459 4.419 3.960 -0.000 0.000 0.239 348 G HA3 0.459 4.419 3.960 -0.000 0.000 0.239 348 G C 0.810 175.702 174.900 -0.012 0.000 1.291 348 G CA 0.381 45.484 45.100 0.004 0.000 0.863 348 G HN 0.414 nan 8.290 nan 0.000 0.560 349 M N 1.718 121.300 119.600 -0.029 0.000 2.313 349 M HA 0.277 4.757 4.480 -0.000 0.000 0.273 349 M C 1.339 177.573 176.300 -0.111 0.000 1.049 349 M CA 0.140 55.410 55.300 -0.050 0.000 1.004 349 M CB 1.081 33.660 32.600 -0.034 0.000 1.461 349 M HN 0.572 nan 8.290 nan 0.000 0.514 350 A N -0.016 122.714 122.820 -0.150 0.000 2.568 350 A HA 0.606 4.926 4.320 -0.000 0.000 0.287 350 A C 1.142 178.633 177.584 -0.155 0.000 0.967 350 A CA 0.210 52.063 52.037 -0.307 0.000 1.004 350 A CB -0.233 18.279 19.000 -0.813 0.000 1.233 350 A HN 0.557 nan 8.150 nan 0.000 0.513 351 G N 0.202 108.967 108.800 -0.059 0.000 2.160 351 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.251 351 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.251 351 G C -0.144 174.774 174.900 0.029 0.000 1.008 351 G CA 0.429 45.526 45.100 -0.006 0.000 0.724 351 G HN 0.600 nan 8.290 nan 0.000 0.514 352 E N -0.718 119.503 120.200 0.036 0.000 2.442 352 E HA 0.458 4.808 4.350 -0.000 0.000 0.262 352 E C 0.650 177.275 176.600 0.041 0.000 1.004 352 E CA 0.387 56.822 56.400 0.058 0.000 0.928 352 E CB 0.620 30.354 29.700 0.057 0.000 0.937 352 E HN 0.358 nan 8.360 nan 0.000 0.446 353 C N 1.836 121.161 119.300 0.041 0.000 2.971 353 C HA 0.942 5.402 4.460 -0.000 0.000 0.310 353 C C -0.438 174.571 174.990 0.031 0.000 1.285 353 C CA -0.342 58.696 59.018 0.034 0.000 1.593 353 C CB 1.313 29.071 27.740 0.031 0.000 2.076 353 C HN 0.793 nan 8.230 nan 0.000 0.472 354 A N 2.164 125.003 122.820 0.033 0.000 2.594 354 A HA 0.790 5.110 4.320 -0.000 0.000 0.295 354 A C -1.201 176.411 177.584 0.048 0.000 1.071 354 A CA -0.436 51.621 52.037 0.033 0.000 0.685 354 A CB 0.954 19.976 19.000 0.036 0.000 1.285 354 A HN 0.690 nan 8.150 nan 0.000 0.405 355 M N 2.545 122.175 119.600 0.051 0.000 2.143 355 M HA 0.314 4.794 4.480 -0.000 0.000 0.348 355 M C -0.293 176.121 176.300 0.189 0.000 1.375 355 M CA 0.187 55.548 55.300 0.102 0.000 1.124 355 M CB 0.098 32.711 32.600 0.022 0.000 1.669 355 M HN 0.608 nan 8.290 nan 0.000 0.469 356 E N 2.370 122.678 120.200 0.179 0.000 2.222 356 E HA 0.368 4.718 4.350 -0.000 0.000 0.272 356 E C -0.281 176.387 176.600 0.113 0.000 0.982 356 E CA -0.608 55.874 56.400 0.138 0.000 0.842 356 E CB 1.045 30.785 29.700 0.066 0.000 1.144 356 E HN 0.425 nan 8.360 nan 0.000 0.397 357 N N 0.480 119.172 118.700 -0.013 0.000 2.518 357 N HA 0.359 5.099 4.740 -0.000 0.000 0.266 357 N C -0.568 174.829 175.510 -0.187 0.000 1.196 357 N CA 0.198 53.091 53.050 -0.261 0.000 0.947 357 N CB 1.142 39.492 38.487 -0.230 0.000 1.098 357 N HN 0.471 nan 8.380 nan 0.000 0.450 358 A N 1.018 123.683 122.820 -0.258 0.000 2.587 358 A HA 0.625 4.945 4.320 -0.000 0.000 0.293 358 A C -1.178 176.312 177.584 -0.157 0.000 1.087 358 A CA -0.613 51.335 52.037 -0.149 0.000 0.692 358 A CB 1.369 20.312 19.000 -0.095 0.000 1.291 358 A HN 0.316 nan 8.150 nan 0.000 0.407 359 V N 1.012 120.863 119.914 -0.104 0.000 2.444 359 V HA 0.646 4.766 4.120 -0.000 0.000 0.294 359 V C 0.673 176.723 176.094 -0.072 0.000 1.022 359 V CA -0.083 62.162 62.300 -0.092 0.000 0.850 359 V CB 1.564 33.341 31.823 -0.076 0.000 0.992 359 V HN 1.299 nan 8.190 nan 0.000 0.426 360 G N 4.796 113.553 108.800 -0.071 0.000 2.356 360 G HA2 0.711 4.671 3.960 -0.000 0.000 0.298 360 G HA3 0.711 4.671 3.960 -0.000 0.000 0.298 360 G C -0.743 174.124 174.900 -0.055 0.000 1.145 360 G CA -0.503 44.559 45.100 -0.062 0.000 0.850 360 G HN 0.550 nan 8.290 nan 0.000 0.487 361 M N 1.012 120.584 119.600 -0.046 0.000 2.457 361 M HA 0.609 5.089 4.480 -0.000 0.000 0.300 361 M C -0.382 175.897 176.300 -0.035 0.000 1.141 361 M CA -0.719 54.558 55.300 -0.038 0.000 0.901 361 M CB 2.858 35.442 32.600 -0.026 0.000 1.687 361 M HN 0.593 nan 8.290 nan 0.000 0.449 362 A N 1.840 124.639 122.820 -0.036 0.000 2.356 362 A HA 0.954 5.274 4.320 -0.000 0.000 0.310 362 A C -1.179 176.395 177.584 -0.017 0.000 1.075 362 A CA -0.602 51.416 52.037 -0.031 0.000 0.746 362 A CB 1.310 20.280 19.000 -0.050 0.000 1.221 362 A HN 0.887 nan 8.150 nan 0.000 0.443 363 A N 2.823 125.639 122.820 -0.007 0.000 2.356 363 A HA 0.874 5.194 4.320 -0.000 0.000 0.323 363 A C -0.486 177.102 177.584 0.008 0.000 1.119 363 A CA -0.553 51.486 52.037 0.004 0.000 0.790 363 A CB 1.386 20.392 19.000 0.009 0.000 1.273 363 A HN 1.187 nan 8.150 nan 0.000 0.452 364 M N 2.747 122.357 119.600 0.016 0.000 2.267 364 M HA 0.543 5.023 4.480 -0.000 0.000 0.289 364 M C -2.239 174.072 176.300 0.019 0.000 1.043 364 M CA -0.493 54.818 55.300 0.019 0.000 0.928 364 M CB 1.471 34.090 32.600 0.031 0.000 1.613 364 M HN 0.393 nan 8.290 nan 0.000 0.450 365 V N 5.470 125.389 119.914 0.008 0.000 2.444 365 V HA 0.493 4.613 4.120 -0.000 0.000 0.294 365 V C -0.358 175.722 176.094 -0.023 0.000 1.022 365 V CA -0.834 61.468 62.300 0.004 0.000 0.850 365 V CB 1.931 33.755 31.823 0.003 0.000 0.992 365 V HN 0.834 nan 8.190 nan 0.000 0.426 366 K N 3.702 124.078 120.400 -0.040 0.000 2.159 366 K HA 0.732 5.052 4.320 -0.000 0.000 0.266 366 K C 0.045 176.600 176.600 -0.074 0.000 0.975 366 K CA -0.585 55.644 56.287 -0.096 0.000 0.865 366 K CB 1.686 34.073 32.500 -0.189 0.000 1.087 366 K HN 0.783 nan 8.250 nan 0.000 0.446 367 A N 4.448 127.217 122.820 -0.084 0.000 2.797 367 A HA 0.101 4.421 4.320 -0.000 0.000 0.296 367 A C -0.824 176.719 177.584 -0.069 0.000 1.580 367 A CA -0.265 51.726 52.037 -0.077 0.000 1.277 367 A CB -0.629 18.321 19.000 -0.084 0.000 1.101 367 A HN 0.818 nan 8.150 nan 0.000 0.562 368 D N 1.775 122.148 120.400 -0.045 0.000 2.426 368 D HA 0.210 4.850 4.640 -0.000 0.000 0.271 368 D C 0.912 177.199 176.300 -0.021 0.000 1.376 368 D CA 1.067 55.048 54.000 -0.030 0.000 1.149 368 D CB 0.104 40.901 40.800 -0.004 0.000 1.118 368 D HN 0.683 nan 8.370 nan 0.000 0.529 369 R N 1.120 121.602 120.500 -0.029 0.000 2.972 369 R HA 0.392 4.732 4.340 -0.000 0.000 0.091 369 R C -0.469 175.824 176.300 -0.011 0.000 0.518 369 R CA -0.617 55.472 56.100 -0.018 0.000 0.321 369 R CB 0.443 30.723 30.300 -0.033 0.000 0.284 369 R HN 0.222 nan 8.270 nan 0.000 0.318 370 L N 1.296 122.510 121.223 -0.015 0.000 4.053 370 L HA -0.153 4.187 4.340 -0.000 0.000 0.396 370 L C -1.097 175.772 176.870 -0.001 0.000 1.163 370 L CA 0.106 54.942 54.840 -0.007 0.000 0.912 370 L CB -1.140 40.918 42.059 -0.001 0.000 2.121 370 L HN 0.423 nan 8.230 nan 0.000 0.674 371 Q N 1.597 121.397 119.800 -0.000 0.000 2.456 371 Q HA 0.680 5.020 4.340 -0.000 0.000 0.252 371 Q C 0.500 176.508 176.000 0.014 0.000 1.042 371 Q CA 0.016 55.826 55.803 0.012 0.000 0.766 371 Q CB 0.840 29.593 28.738 0.025 0.000 1.196 371 Q HN 0.374 nan 8.270 nan 0.000 0.504 372 M N -0.603 119.004 119.600 0.011 0.000 5.562 372 M HA -0.064 4.416 4.480 -0.000 0.000 0.675 372 M C -0.761 175.543 176.300 0.006 0.000 2.345 372 M CA -0.252 55.056 55.300 0.012 0.000 0.401 372 M CB -0.410 32.194 32.600 0.007 0.000 1.915 372 M HN 0.297 nan 8.290 nan 0.000 0.744 373 Q N 2.446 122.249 119.800 0.004 0.000 2.821 373 Q HA 0.072 4.412 4.340 -0.000 0.000 0.401 373 Q C 0.820 176.820 176.000 -0.000 0.000 1.310 373 Q CA 1.625 57.429 55.803 0.001 0.000 1.077 373 Q CB 0.544 29.282 28.738 0.000 0.000 1.228 373 Q HN 0.658 nan 8.270 nan 0.000 0.513 374 V N -2.899 117.014 119.914 -0.003 0.000 5.705 374 V HA -0.075 4.045 4.120 -0.000 0.000 0.105 374 V C 1.553 177.643 176.094 -0.006 0.000 1.134 374 V CA 0.158 62.456 62.300 -0.004 0.000 0.865 374 V CB -0.959 30.863 31.823 -0.002 0.000 1.130 374 V HN 0.794 nan 8.190 nan 0.000 0.688 375 I N 2.203 122.770 120.570 -0.005 0.000 2.242 375 I HA -0.426 3.744 4.170 -0.000 0.000 0.242 375 I C 2.910 179.020 176.117 -0.011 0.000 0.998 375 I CA 3.141 64.437 61.300 -0.006 0.000 1.283 375 I CB -0.788 37.209 38.000 -0.004 0.000 0.985 375 I HN 0.664 nan 8.210 nan 0.000 0.415 376 A N 0.789 123.601 122.820 -0.014 0.000 1.852 376 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 376 A C 2.338 179.906 177.584 -0.026 0.000 1.215 376 A CA 2.520 54.543 52.037 -0.024 0.000 0.641 376 A CB -0.838 18.147 19.000 -0.025 0.000 0.838 376 A HN 0.412 nan 8.150 nan 0.000 0.450 377 R N -0.737 119.750 120.500 -0.022 0.000 2.091 377 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 377 R C 2.300 178.589 176.300 -0.018 0.000 1.136 377 R CA 1.535 57.623 56.100 -0.021 0.000 0.959 377 R CB -0.327 29.963 30.300 -0.016 0.000 0.856 377 R HN 0.810 nan 8.270 nan 0.000 0.437 378 E N 0.767 120.959 120.200 -0.013 0.000 2.347 378 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 378 E C 1.771 178.364 176.600 -0.012 0.000 1.008 378 E CA 0.389 56.783 56.400 -0.010 0.000 0.852 378 E CB 0.128 29.824 29.700 -0.007 0.000 0.783 378 E HN 0.326 nan 8.360 nan 0.000 0.505 379 L N 0.522 121.736 121.223 -0.015 0.000 2.034 379 L HA -0.121 4.219 4.340 -0.000 0.000 0.203 379 L C 2.522 179.379 176.870 -0.021 0.000 1.074 379 L CA 1.517 56.347 54.840 -0.016 0.000 0.748 379 L CB -0.390 41.657 42.059 -0.019 0.000 0.905 379 L HN 0.259 nan 8.230 nan 0.000 0.439 380 S N -0.128 115.554 115.700 -0.029 0.000 2.465 380 S HA -0.131 4.339 4.470 -0.000 0.000 0.241 380 S C 1.862 176.447 174.600 -0.025 0.000 1.000 380 S CA 0.850 59.029 58.200 -0.034 0.000 0.964 380 S CB -0.379 62.795 63.200 -0.044 0.000 0.763 380 S HN 0.470 nan 8.310 nan 0.000 0.512 381 A N 2.861 125.669 122.820 -0.019 0.000 1.843 381 A HA 0.089 4.409 4.320 -0.000 0.000 0.213 381 A C 2.391 179.969 177.584 -0.011 0.000 1.202 381 A CA 0.937 52.966 52.037 -0.014 0.000 0.607 381 A CB -0.511 18.482 19.000 -0.011 0.000 0.847 381 A HN 0.545 nan 8.150 nan 0.000 0.445 382 R N -0.463 120.032 120.500 -0.009 0.000 2.189 382 R HA 0.082 4.422 4.340 -0.000 0.000 0.223 382 R C 1.373 177.670 176.300 -0.005 0.000 1.092 382 R CA 1.043 57.140 56.100 -0.005 0.000 0.989 382 R CB -0.295 30.003 30.300 -0.003 0.000 0.876 382 R HN 0.474 nan 8.270 nan 0.000 0.457 383 L N -0.231 120.986 121.223 -0.009 0.000 2.609 383 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 383 L C 0.143 177.005 176.870 -0.013 0.000 1.087 383 L CA -0.168 54.666 54.840 -0.009 0.000 0.874 383 L CB 0.217 42.269 42.059 -0.012 0.000 1.114 383 L HN 0.047 nan 8.230 nan 0.000 0.488 384 Q N 1.494 121.284 119.800 -0.017 0.000 2.452 384 Q HA -0.192 4.148 4.340 -0.000 0.000 0.318 384 Q C 0.089 176.073 176.000 -0.026 0.000 1.386 384 Q CA 1.311 57.102 55.803 -0.019 0.000 0.872 384 Q CB -1.848 26.883 28.738 -0.013 0.000 1.151 384 Q HN 0.502 nan 8.270 nan 0.000 0.417 385 T N -2.350 112.183 114.554 -0.034 0.000 2.894 385 T HA 0.402 4.752 4.350 -0.000 0.000 0.309 385 T C -0.825 173.838 174.700 -0.061 0.000 1.208 385 T CA -0.625 61.447 62.100 -0.046 0.000 1.016 385 T CB 1.872 70.713 68.868 -0.045 0.000 1.192 385 T HN 0.290 nan 8.240 nan 0.000 0.491 386 E N 2.071 122.225 120.200 -0.077 0.000 2.415 386 E HA 0.396 4.746 4.350 -0.000 0.000 0.263 386 E C -1.017 175.496 176.600 -0.145 0.000 0.995 386 E CA -0.238 56.100 56.400 -0.104 0.000 0.915 386 E CB 0.471 30.104 29.700 -0.111 0.000 0.951 386 E HN 0.442 nan 8.360 nan 0.000 0.449 387 V N 5.911 125.738 119.914 -0.145 0.000 2.376 387 V HA 0.224 4.344 4.120 -0.000 0.000 0.287 387 V C -0.454 175.521 176.094 -0.200 0.000 1.015 387 V CA -0.801 61.399 62.300 -0.167 0.000 0.834 387 V CB 1.641 33.405 31.823 -0.098 0.000 1.001 387 V HN 0.462 nan 8.190 nan 0.000 0.428 388 V N 5.485 125.201 119.914 -0.330 0.000 2.398 388 V HA 0.375 4.495 4.120 -0.000 0.000 0.286 388 V C 0.196 176.199 176.094 -0.152 0.000 1.026 388 V CA -0.799 61.328 62.300 -0.288 0.000 0.868 388 V CB 1.947 33.470 31.823 -0.501 0.000 0.982 388 V HN 0.594 nan 8.190 nan 0.000 0.443 389 V N 4.879 124.757 119.914 -0.060 0.000 2.485 389 V HA 0.266 4.386 4.120 -0.000 0.000 0.287 389 V C 1.263 177.385 176.094 0.046 0.000 1.022 389 V CA 0.433 62.729 62.300 -0.006 0.000 1.067 389 V CB 0.584 32.406 31.823 -0.003 0.000 0.967 389 V HN 1.026 nan 8.190 nan 0.000 0.479 390 G N 3.823 112.668 108.800 0.075 0.000 2.634 390 G HA2 0.472 4.432 3.960 -0.000 0.000 0.255 390 G HA3 0.472 4.432 3.960 -0.000 0.000 0.255 390 G C 0.662 175.605 174.900 0.071 0.000 1.205 390 G CA 0.091 45.259 45.100 0.114 0.000 0.884 390 G HN 1.009 nan 8.290 nan 0.000 0.549 391 G N -1.676 107.162 108.800 0.063 0.000 2.486 391 G HA2 0.344 4.304 3.960 -0.000 0.000 0.272 391 G HA3 0.344 4.304 3.960 -0.000 0.000 0.272 391 G C 0.092 175.011 174.900 0.032 0.000 1.426 391 G CA -0.417 44.707 45.100 0.039 0.000 1.058 391 G HN 0.734 nan 8.290 nan 0.000 0.531 392 V N 0.960 120.888 119.914 0.024 0.000 2.509 392 V HA -0.027 4.093 4.120 -0.000 0.000 0.297 392 V C 1.702 177.812 176.094 0.026 0.000 1.014 392 V CA 0.827 63.142 62.300 0.025 0.000 1.127 392 V CB 0.673 32.508 31.823 0.020 0.000 0.925 392 V HN 1.002 nan 8.190 nan 0.000 0.480 393 E N 4.947 125.168 120.200 0.034 0.000 2.086 393 E HA -0.301 4.049 4.350 -0.000 0.000 0.200 393 E C 2.134 178.752 176.600 0.030 0.000 1.012 393 E CA 1.899 58.321 56.400 0.037 0.000 0.812 393 E CB -0.030 29.701 29.700 0.051 0.000 0.743 393 E HN 0.900 nan 8.360 nan 0.000 0.453 394 A N 0.744 123.582 122.820 0.030 0.000 1.940 394 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 394 A C 1.854 179.440 177.584 0.003 0.000 1.176 394 A CA 1.987 54.032 52.037 0.013 0.000 0.631 394 A CB -0.760 18.245 19.000 0.009 0.000 0.814 394 A HN 0.341 nan 8.150 nan 0.000 0.446 395 N N -0.447 118.256 118.700 0.005 0.000 2.142 395 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 395 N C 1.636 177.142 175.510 -0.007 0.000 1.023 395 N CA 1.711 54.759 53.050 -0.003 0.000 0.852 395 N CB -0.300 38.186 38.487 -0.001 0.000 0.998 395 N HN 0.340 nan 8.380 nan 0.000 0.424 396 M N 0.323 119.923 119.600 -0.000 0.000 2.175 396 M HA 0.081 4.561 4.480 -0.000 0.000 0.264 396 M C 2.102 178.398 176.300 -0.006 0.000 1.063 396 M CA 0.902 56.200 55.300 -0.004 0.000 1.119 396 M CB -1.275 31.330 32.600 0.008 0.000 1.377 396 M HN 0.186 nan 8.290 nan 0.000 0.415 397 A N 0.754 123.574 122.820 -0.001 0.000 1.877 397 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 397 A C 2.171 179.748 177.584 -0.012 0.000 1.186 397 A CA 1.175 53.209 52.037 -0.004 0.000 0.620 397 A CB -0.599 18.401 19.000 0.000 0.000 0.822 397 A HN 0.340 nan 8.150 nan 0.000 0.443 398 I N 0.084 120.646 120.570 -0.014 0.000 2.179 398 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 398 I C 2.980 179.081 176.117 -0.028 0.000 1.088 398 I CA 1.524 62.812 61.300 -0.020 0.000 1.357 398 I CB -1.576 36.412 38.000 -0.019 0.000 1.051 398 I HN 0.377 nan 8.210 nan 0.000 0.409 399 A N 0.891 123.695 122.820 -0.028 0.000 1.908 399 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 399 A C 2.494 180.056 177.584 -0.037 0.000 1.181 399 A CA 2.072 54.088 52.037 -0.035 0.000 0.627 399 A CB -1.335 17.643 19.000 -0.037 0.000 0.818 399 A HN 0.450 nan 8.150 nan 0.000 0.445 400 G N -0.905 107.877 108.800 -0.029 0.000 2.403 400 G HA2 0.088 4.048 3.960 -0.000 0.000 0.216 400 G HA3 0.088 4.048 3.960 -0.000 0.000 0.216 400 G C 1.712 176.594 174.900 -0.029 0.000 1.154 400 G CA 1.247 46.330 45.100 -0.027 0.000 0.784 400 G HN 0.796 nan 8.290 nan 0.000 0.538 401 A N 0.732 123.535 122.820 -0.028 0.000 1.933 401 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 401 A C 2.300 179.856 177.584 -0.047 0.000 1.175 401 A CA 0.954 52.973 52.037 -0.030 0.000 0.628 401 A CB -0.386 18.600 19.000 -0.023 0.000 0.814 401 A HN 0.343 nan 8.150 nan 0.000 0.444 402 L N 0.447 121.636 121.223 -0.057 0.000 2.450 402 L HA -0.114 4.226 4.340 -0.000 0.000 0.224 402 L C 2.411 179.233 176.870 -0.081 0.000 1.149 402 L CA 1.410 56.201 54.840 -0.081 0.000 0.816 402 L CB -0.599 41.414 42.059 -0.077 0.000 0.932 402 L HN 0.657 nan 8.230 nan 0.000 0.449 403 T N -5.501 109.016 114.554 -0.062 0.000 3.129 403 T HA 0.005 4.355 4.350 -0.000 0.000 0.251 403 T C 0.883 175.550 174.700 -0.054 0.000 1.117 403 T CA -0.108 61.958 62.100 -0.058 0.000 1.034 403 T CB -0.423 68.417 68.868 -0.047 0.000 0.968 403 T HN 0.028 nan 8.240 nan 0.000 0.526 404 T N 4.706 119.227 114.554 -0.055 0.000 2.814 404 T HA 0.328 4.678 4.350 -0.000 0.000 0.297 404 T C -2.512 172.153 174.700 -0.058 0.000 0.956 404 T CA -0.882 61.191 62.100 -0.044 0.000 1.123 404 T CB 0.905 69.753 68.868 -0.032 0.000 0.902 404 T HN 0.172 nan 8.240 nan 0.000 0.528 405 P HA 0.247 nan 4.420 nan 0.000 0.268 405 P C 0.981 178.255 177.300 -0.042 0.000 1.204 405 P CA 0.597 63.670 63.100 -0.044 0.000 0.768 405 P CB 0.391 32.077 31.700 -0.025 0.000 0.842 406 G N 1.246 110.007 108.800 -0.065 0.000 2.176 406 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.253 406 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.253 406 G C 0.290 175.092 174.900 -0.163 0.000 0.979 406 G CA 0.039 45.111 45.100 -0.047 0.000 0.641 406 G HN 0.857 nan 8.290 nan 0.000 0.530 407 C N -1.062 118.036 119.300 -0.337 0.000 2.668 407 C HA 1.123 5.583 4.460 -0.000 0.000 0.355 407 C C 0.502 174.983 174.990 -0.849 0.000 1.277 407 C CA -0.052 58.478 59.018 -0.813 0.000 1.787 407 C CB 1.682 29.221 27.740 -0.336 0.000 2.233 407 C HN 2.298 nan 8.230 nan 0.000 0.495 408 A N 0.204 122.372 122.820 -1.085 0.000 2.515 408 A HA 0.831 5.151 4.320 -0.000 0.000 0.292 408 A C -0.560 176.868 177.584 -0.260 0.000 1.065 408 A CA -0.025 51.700 52.037 -0.520 0.000 0.641 408 A CB 0.013 18.761 19.000 -0.420 0.000 1.306 408 A HN 2.582 nan 8.150 nan 0.000 0.441 409 A N 1.154 123.918 122.820 -0.094 0.000 2.351 409 A HA 0.726 5.046 4.320 -0.000 0.000 0.257 409 A C -2.053 175.577 177.584 0.078 0.000 1.087 409 A CA -1.086 50.957 52.037 0.011 0.000 0.798 409 A CB -0.565 18.430 19.000 -0.008 0.000 1.033 409 A HN 0.686 nan 8.150 nan 0.000 0.488 410 P HA 0.341 nan 4.420 nan 0.000 0.271 410 P C -0.911 176.462 177.300 0.121 0.000 1.216 410 P CA 0.195 63.341 63.100 0.077 0.000 0.771 410 P CB 0.832 32.567 31.700 0.058 0.000 0.864 411 L N 1.869 123.137 121.223 0.075 0.000 2.424 411 L HA 0.805 5.145 4.340 -0.000 0.000 0.258 411 L C -1.649 175.245 176.870 0.040 0.000 0.995 411 L CA -0.818 54.075 54.840 0.088 0.000 0.821 411 L CB 2.249 44.345 42.059 0.062 0.000 1.383 411 L HN 0.469 nan 8.230 nan 0.000 0.410 412 A N 4.464 127.308 122.820 0.039 0.000 2.386 412 A HA 0.709 5.029 4.320 -0.000 0.000 0.311 412 A C -1.413 176.174 177.584 0.006 0.000 1.068 412 A CA -0.539 51.503 52.037 0.007 0.000 0.743 412 A CB 1.538 20.534 19.000 -0.006 0.000 1.258 412 A HN 0.764 nan 8.150 nan 0.000 0.429 413 I N 2.810 123.374 120.570 -0.010 0.000 2.410 413 I HA 0.522 4.692 4.170 -0.000 0.000 0.286 413 I C -1.840 174.262 176.117 -0.023 0.000 1.009 413 I CA -1.014 60.278 61.300 -0.013 0.000 1.111 413 I CB 0.962 38.954 38.000 -0.013 0.000 1.262 413 I HN 0.491 nan 8.210 nan 0.000 0.443 414 L N 7.466 128.674 121.223 -0.025 0.000 2.282 414 L HA 0.434 4.774 4.340 -0.000 0.000 0.288 414 L C -0.029 176.823 176.870 -0.031 0.000 1.033 414 L CA -0.169 54.655 54.840 -0.027 0.000 0.807 414 L CB 1.017 43.062 42.059 -0.023 0.000 1.209 414 L HN 0.474 nan 8.230 nan 0.000 0.423 415 D N 4.333 124.724 120.400 -0.014 0.000 2.396 415 D HA 0.198 4.838 4.640 -0.000 0.000 0.225 415 D C -0.618 175.686 176.300 0.007 0.000 1.121 415 D CA -0.271 53.725 54.000 -0.006 0.000 0.853 415 D CB 0.720 41.531 40.800 0.018 0.000 1.043 415 D HN 0.382 nan 8.370 nan 0.000 0.500 416 L N 4.221 125.409 121.223 -0.058 0.000 2.356 416 L HA 0.373 4.713 4.340 -0.000 0.000 0.282 416 L C 1.313 178.186 176.870 0.006 0.000 1.132 416 L CA -0.653 54.132 54.840 -0.091 0.000 0.923 416 L CB 0.808 42.550 42.059 -0.530 0.000 1.278 416 L HN 0.284 nan 8.230 nan 0.000 0.436 417 G N 1.179 110.057 108.800 0.131 0.000 2.695 417 G HA2 0.508 4.468 3.960 -0.000 0.000 0.213 417 G HA3 0.508 4.468 3.960 -0.000 0.000 0.213 417 G C 0.714 175.713 174.900 0.164 0.000 1.406 417 G CA 0.369 45.537 45.100 0.114 0.000 1.049 417 G HN 0.534 nan 8.290 nan 0.000 0.573 418 A N -1.512 121.371 122.820 0.106 0.000 1.920 418 A HA 0.392 4.711 4.320 -0.000 0.000 0.209 418 A C 2.281 179.903 177.584 0.063 0.000 1.229 418 A CA 1.659 53.749 52.037 0.088 0.000 0.671 418 A CB -0.487 18.546 19.000 0.055 0.000 0.886 418 A HN 0.961 nan 8.150 nan 0.000 0.461 419 G N -0.796 108.037 108.800 0.054 0.000 2.744 419 G HA2 0.366 4.326 3.960 -0.000 0.000 0.211 419 G HA3 0.366 4.326 3.960 -0.000 0.000 0.211 419 G C 0.531 175.456 174.900 0.042 0.000 1.146 419 G CA 1.175 46.296 45.100 0.036 0.000 0.787 419 G HN 1.167 nan 8.290 nan 0.000 0.534 420 S N -1.833 113.911 115.700 0.073 0.000 2.611 420 S HA 0.557 5.027 4.470 -0.000 0.000 0.268 420 S C -1.259 173.419 174.600 0.131 0.000 1.156 420 S CA -0.619 57.631 58.200 0.084 0.000 0.817 420 S CB 1.730 64.983 63.200 0.090 0.000 1.122 420 S HN -0.076 nan 8.310 nan 0.000 0.466 421 T N 2.439 117.068 114.554 0.126 0.000 2.821 421 T HA 0.529 4.879 4.350 -0.000 0.000 0.307 421 T C -1.431 173.318 174.700 0.082 0.000 1.034 421 T CA -0.532 61.656 62.100 0.147 0.000 0.953 421 T CB 0.430 69.401 68.868 0.173 0.000 0.968 421 T HN 0.553 nan 8.240 nan 0.000 0.462 422 D N 2.147 122.583 120.400 0.059 0.000 2.198 422 D HA 0.687 5.327 4.640 -0.000 0.000 0.247 422 D C -0.450 175.800 176.300 -0.083 0.000 1.010 422 D CA -0.519 53.464 54.000 -0.029 0.000 0.880 422 D CB 2.264 43.102 40.800 0.064 0.000 1.209 422 D HN 0.591 nan 8.370 nan 0.000 0.451 423 A N 0.342 123.053 122.820 -0.182 0.000 2.475 423 A HA 0.768 5.088 4.320 -0.000 0.000 0.301 423 A C -1.337 176.163 177.584 -0.139 0.000 1.059 423 A CA -0.689 51.275 52.037 -0.122 0.000 0.710 423 A CB 1.951 20.896 19.000 -0.090 0.000 1.288 423 A HN 0.572 nan 8.150 nan 0.000 0.408 424 A N 1.359 124.132 122.820 -0.078 0.000 2.355 424 A HA 0.829 5.149 4.320 -0.000 0.000 0.317 424 A C -0.878 176.682 177.584 -0.039 0.000 1.094 424 A CA -0.362 51.641 52.037 -0.057 0.000 0.764 424 A CB 0.611 19.591 19.000 -0.033 0.000 1.230 424 A HN 0.793 nan 8.150 nan 0.000 0.448 425 I N 1.613 122.164 120.570 -0.033 0.000 2.619 425 I HA 0.484 4.654 4.170 -0.000 0.000 0.292 425 I C -0.948 175.161 176.117 -0.013 0.000 1.100 425 I CA -1.040 60.248 61.300 -0.021 0.000 1.043 425 I CB 2.278 40.262 38.000 -0.026 0.000 1.239 425 I HN 0.393 nan 8.210 nan 0.000 0.420 426 V N 6.511 126.422 119.914 -0.005 0.000 2.409 426 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 426 V C 0.008 176.104 176.094 0.004 0.000 1.020 426 V CA -0.413 61.885 62.300 -0.003 0.000 0.848 426 V CB 1.515 33.334 31.823 -0.006 0.000 0.990 426 V HN 0.736 nan 8.190 nan 0.000 0.430 427 N N 3.982 122.682 118.700 0.001 0.000 2.231 427 N HA 0.125 4.865 4.740 -0.000 0.000 0.223 427 N C 1.183 176.699 175.510 0.009 0.000 1.329 427 N CA 0.729 53.781 53.050 0.004 0.000 0.889 427 N CB 1.381 39.868 38.487 0.001 0.000 1.125 427 N HN 0.836 nan 8.380 nan 0.000 0.447 428 A N 0.624 123.451 122.820 0.012 0.000 2.067 428 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 428 A C 1.575 179.164 177.584 0.009 0.000 1.156 428 A CA 1.096 53.142 52.037 0.016 0.000 0.683 428 A CB -0.072 18.938 19.000 0.017 0.000 0.808 428 A HN 0.619 nan 8.150 nan 0.000 0.455 429 E N -1.297 118.906 120.200 0.005 0.000 2.478 429 E HA 0.266 4.616 4.350 -0.000 0.000 0.194 429 E C 1.227 177.827 176.600 -0.000 0.000 1.045 429 E CA 0.731 57.133 56.400 0.002 0.000 0.868 429 E CB 0.039 29.740 29.700 0.001 0.000 0.885 429 E HN 0.698 nan 8.360 nan 0.000 0.505 430 G N 0.812 109.612 108.800 -0.001 0.000 2.157 430 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.239 430 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.239 430 G C 0.224 175.122 174.900 -0.004 0.000 0.982 430 G CA 0.236 45.334 45.100 -0.004 0.000 0.650 430 G HN 0.340 nan 8.290 nan 0.000 0.527 431 Q N 0.254 120.052 119.800 -0.003 0.000 2.286 431 Q HA 0.636 4.976 4.340 -0.000 0.000 0.257 431 Q C 0.144 176.142 176.000 -0.005 0.000 0.941 431 Q CA -0.522 55.279 55.803 -0.003 0.000 0.912 431 Q CB 0.429 29.166 28.738 -0.003 0.000 1.192 431 Q HN 0.438 nan 8.270 nan 0.000 0.410 432 I N 4.068 124.635 120.570 -0.005 0.000 2.336 432 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 432 I C -0.039 176.075 176.117 -0.006 0.000 0.991 432 I CA -0.495 60.801 61.300 -0.006 0.000 1.227 432 I CB 1.563 39.560 38.000 -0.006 0.000 1.366 432 I HN 0.699 nan 8.210 nan 0.000 0.466 433 T N 2.518 117.065 114.554 -0.012 0.000 2.916 433 T HA 0.872 5.221 4.350 -0.000 0.000 0.292 433 T C -0.588 174.094 174.700 -0.030 0.000 1.064 433 T CA -0.936 61.156 62.100 -0.014 0.000 1.011 433 T CB 2.226 71.085 68.868 -0.015 0.000 1.152 433 T HN 0.616 nan 8.240 nan 0.000 0.510 434 A N 0.973 123.773 122.820 -0.033 0.000 2.365 434 A HA 0.803 5.123 4.320 -0.000 0.000 0.318 434 A C -0.942 176.556 177.584 -0.142 0.000 1.091 434 A CA -0.797 51.186 52.037 -0.091 0.000 0.763 434 A CB 1.550 20.534 19.000 -0.025 0.000 1.248 434 A HN 0.902 nan 8.150 nan 0.000 0.442 435 V N 3.347 123.086 119.914 -0.292 0.000 2.638 435 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 435 V C -1.033 174.788 176.094 -0.456 0.000 1.052 435 V CA -0.634 61.522 62.300 -0.242 0.000 0.885 435 V CB 1.895 33.645 31.823 -0.122 0.000 0.999 435 V HN 0.924 nan 8.190 nan 0.000 0.424 436 H N 5.289 124.365 119.070 0.011 0.000 2.800 436 H HA 0.593 5.149 4.556 -0.000 0.000 0.322 436 H C -1.012 174.324 175.328 0.014 0.000 0.979 436 H CA -0.321 55.736 56.048 0.015 0.000 1.277 436 H CB 2.007 31.777 29.762 0.014 0.000 1.484 436 H HN 0.419 nan 8.280 nan 0.000 0.512 437 L N 1.644 122.924 121.223 0.095 0.000 2.330 437 L HA 0.658 4.998 4.340 -0.000 0.000 0.271 437 L C 0.636 177.537 176.870 0.052 0.000 1.013 437 L CA -1.140 53.735 54.840 0.058 0.000 0.816 437 L CB 1.768 43.845 42.059 0.029 0.000 1.287 437 L HN 0.513 nan 8.230 nan 0.000 0.435 438 A N 0.979 123.814 122.820 0.026 0.000 2.322 438 A HA 0.728 5.048 4.320 -0.000 0.000 0.269 438 A C 0.392 177.961 177.584 -0.026 0.000 1.094 438 A CA 0.235 52.277 52.037 0.007 0.000 0.807 438 A CB 0.633 19.634 19.000 0.002 0.000 1.047 438 A HN 1.034 nan 8.150 nan 0.000 0.487 439 G N -0.829 107.941 108.800 -0.049 0.000 3.436 439 G HA2 0.514 4.474 3.960 -0.000 0.000 0.685 439 G HA3 0.514 4.474 3.960 -0.000 0.000 0.685 439 G C -0.234 174.551 174.900 -0.192 0.000 1.039 439 G CA 0.120 45.147 45.100 -0.120 0.000 0.879 439 G HN 2.398 nan 8.290 nan 0.000 0.478 440 A N 1.613 124.290 122.820 -0.239 0.000 5.139 440 A HA 0.994 5.314 4.320 -0.000 0.000 0.164 440 A C 1.977 179.406 177.584 -0.258 0.000 0.803 440 A CA 1.043 52.897 52.037 -0.305 0.000 1.038 440 A CB -0.592 18.475 19.000 0.111 0.000 2.123 440 A HN 2.268 nan 8.150 nan 0.000 0.998 441 G N 0.516 109.398 108.800 0.138 0.000 2.476 441 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 441 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 441 G C 1.016 175.928 174.900 0.021 0.000 1.164 441 G CA 1.666 46.853 45.100 0.146 0.000 0.768 441 G HN 0.557 nan 8.290 nan 0.000 0.560 442 N N 0.142 118.844 118.700 0.002 0.000 2.120 442 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 442 N C 2.120 177.603 175.510 -0.044 0.000 1.024 442 N CA 1.304 54.346 53.050 -0.014 0.000 0.852 442 N CB -0.433 38.050 38.487 -0.007 0.000 1.003 442 N HN 0.413 nan 8.380 nan 0.000 0.424 443 M N 0.648 120.200 119.600 -0.081 0.000 2.159 443 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 443 M C 1.553 177.791 176.300 -0.104 0.000 1.063 443 M CA 1.131 56.371 55.300 -0.099 0.000 1.110 443 M CB 0.126 32.644 32.600 -0.137 0.000 1.374 443 M HN -0.135 nan 8.290 nan 0.000 0.411 444 V N -0.032 119.806 119.914 -0.128 0.000 2.343 444 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 444 V C 2.333 178.403 176.094 -0.040 0.000 1.051 444 V CA 2.099 64.344 62.300 -0.091 0.000 1.036 444 V CB -0.775 31.009 31.823 -0.065 0.000 0.654 444 V HN 0.531 nan 8.190 nan 0.000 0.451 445 S N 0.136 115.819 115.700 -0.028 0.000 2.356 445 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 445 S C 1.909 176.498 174.600 -0.019 0.000 1.032 445 S CA 1.679 59.869 58.200 -0.017 0.000 1.005 445 S CB -0.467 62.725 63.200 -0.012 0.000 0.867 445 S HN 0.450 nan 8.310 nan 0.000 0.449 446 L N 1.557 122.764 121.223 -0.027 0.000 2.043 446 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 446 L C 1.977 178.831 176.870 -0.026 0.000 1.075 446 L CA 1.553 56.376 54.840 -0.028 0.000 0.752 446 L CB -0.746 41.290 42.059 -0.038 0.000 0.891 446 L HN 0.193 nan 8.230 nan 0.000 0.432 447 L N -0.694 120.511 121.223 -0.031 0.000 2.131 447 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 447 L C 2.323 179.192 176.870 -0.001 0.000 1.092 447 L CA 1.690 56.517 54.840 -0.021 0.000 0.759 447 L CB -0.536 41.504 42.059 -0.032 0.000 0.903 447 L HN 0.309 nan 8.230 nan 0.000 0.435 448 I N -1.238 119.332 120.570 -0.001 0.000 2.333 448 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 448 I C 2.441 178.566 176.117 0.013 0.000 1.106 448 I CA 0.811 62.117 61.300 0.010 0.000 1.411 448 I CB -0.293 37.712 38.000 0.009 0.000 1.082 448 I HN 0.217 nan 8.210 nan 0.000 0.420 449 K N 0.864 121.267 120.400 0.005 0.000 2.057 449 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 449 K C 2.024 178.629 176.600 0.008 0.000 1.049 449 K CA 1.930 58.221 56.287 0.007 0.000 0.931 449 K CB -0.062 32.438 32.500 -0.000 0.000 0.714 449 K HN 0.200 nan 8.250 nan 0.000 0.440 450 T N 0.821 115.377 114.554 0.003 0.000 2.643 450 T HA -0.170 4.180 4.350 -0.000 0.000 0.264 450 T C 1.683 176.400 174.700 0.029 0.000 1.045 450 T CA 1.689 63.792 62.100 0.005 0.000 1.155 450 T CB -0.224 68.640 68.868 -0.007 0.000 0.863 450 T HN 0.424 nan 8.240 nan 0.000 0.420 451 E N 0.310 120.537 120.200 0.045 0.000 2.204 451 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 451 E C 1.842 178.470 176.600 0.047 0.000 0.989 451 E CA 0.592 57.035 56.400 0.071 0.000 0.824 451 E CB -0.069 29.685 29.700 0.091 0.000 0.756 451 E HN 0.430 nan 8.360 nan 0.000 0.477 452 L N -0.904 120.340 121.223 0.034 0.000 2.529 452 L HA 0.223 4.563 4.340 -0.000 0.000 0.223 452 L C 1.207 178.093 176.870 0.027 0.000 1.113 452 L CA 0.325 55.182 54.840 0.028 0.000 0.861 452 L CB 0.286 42.363 42.059 0.030 0.000 1.012 452 L HN 0.288 nan 8.230 nan 0.000 0.461 453 G N 1.496 110.312 108.800 0.026 0.000 2.256 453 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.272 453 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.272 453 G C 0.013 174.926 174.900 0.022 0.000 1.076 453 G CA -0.154 44.959 45.100 0.022 0.000 0.882 453 G HN 0.208 nan 8.290 nan 0.000 0.497 454 L N -0.472 120.764 121.223 0.023 0.000 2.418 454 L HA 0.375 4.715 4.340 -0.000 0.000 0.265 454 L C 1.635 178.518 176.870 0.022 0.000 1.143 454 L CA -1.006 53.850 54.840 0.027 0.000 0.809 454 L CB 0.542 42.620 42.059 0.030 0.000 1.124 454 L HN 0.081 nan 8.230 nan 0.000 0.456 455 E N 1.322 121.537 120.200 0.025 0.000 2.112 455 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 455 E C -0.188 176.424 176.600 0.020 0.000 0.979 455 E CA 0.768 57.181 56.400 0.021 0.000 0.814 455 E CB -0.175 29.539 29.700 0.024 0.000 0.762 455 E HN 0.815 nan 8.360 nan 0.000 0.460 456 D N -1.490 118.925 120.400 0.025 0.000 2.671 456 D HA 0.248 4.888 4.640 -0.000 0.000 0.232 456 D C 0.752 177.064 176.300 0.021 0.000 1.114 456 D CA -0.655 53.359 54.000 0.023 0.000 0.858 456 D CB 1.390 42.208 40.800 0.029 0.000 1.544 456 D HN -0.228 nan 8.370 nan 0.000 0.471 457 L N 0.809 122.041 121.223 0.015 0.000 2.042 457 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 457 L C 2.052 178.930 176.870 0.013 0.000 1.076 457 L CA 1.251 56.097 54.840 0.010 0.000 0.749 457 L CB -0.457 41.606 42.059 0.007 0.000 0.893 457 L HN 0.549 nan 8.230 nan 0.000 0.432 458 S N 0.224 115.938 115.700 0.022 0.000 2.368 458 S HA -0.274 4.196 4.470 -0.000 0.000 0.226 458 S C 1.802 176.418 174.600 0.025 0.000 1.044 458 S CA 1.930 60.148 58.200 0.030 0.000 1.062 458 S CB -0.534 62.694 63.200 0.045 0.000 0.931 458 S HN 0.315 nan 8.310 nan 0.000 0.440 459 L N 1.656 122.903 121.223 0.041 0.000 2.131 459 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 459 L C 2.260 179.126 176.870 -0.007 0.000 1.092 459 L CA 1.835 56.704 54.840 0.048 0.000 0.759 459 L CB -0.991 41.119 42.059 0.086 0.000 0.903 459 L HN 0.248 nan 8.230 nan 0.000 0.435 460 A N -0.857 121.963 122.820 -0.000 0.000 1.930 460 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 460 A C 2.235 179.797 177.584 -0.037 0.000 1.175 460 A CA 1.494 53.524 52.037 -0.011 0.000 0.627 460 A CB -0.606 18.393 19.000 -0.002 0.000 0.815 460 A HN 0.527 nan 8.150 nan 0.000 0.443 461 E N 0.392 120.570 120.200 -0.037 0.000 2.051 461 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 461 E C 2.044 178.578 176.600 -0.111 0.000 0.991 461 E CA 1.679 58.050 56.400 -0.049 0.000 0.799 461 E CB -0.475 29.212 29.700 -0.021 0.000 0.748 461 E HN 0.450 nan 8.360 nan 0.000 0.449 462 A N 0.628 123.362 122.820 -0.144 0.000 1.877 462 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 462 A C 2.373 179.727 177.584 -0.384 0.000 1.186 462 A CA 1.546 53.415 52.037 -0.280 0.000 0.620 462 A CB -0.771 17.928 19.000 -0.502 0.000 0.822 462 A HN 0.374 nan 8.150 nan 0.000 0.443 463 I N -0.560 119.826 120.570 -0.306 0.000 2.567 463 I HA -0.236 3.934 4.170 -0.000 0.000 0.257 463 I C 2.528 178.624 176.117 -0.035 0.000 1.184 463 I CA 1.380 62.597 61.300 -0.138 0.000 1.451 463 I CB -0.217 37.767 38.000 -0.025 0.000 1.089 463 I HN 0.386 nan 8.210 nan 0.000 0.441 464 K N 1.879 122.241 120.400 -0.063 0.000 2.031 464 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 464 K C 1.915 178.529 176.600 0.024 0.000 1.049 464 K CA 1.233 57.513 56.287 -0.012 0.000 0.939 464 K CB 0.101 32.585 32.500 -0.027 0.000 0.717 464 K HN 0.306 nan 8.250 nan 0.000 0.438 465 K N -0.984 119.322 120.400 -0.157 0.000 2.374 465 K HA 0.033 4.353 4.320 -0.000 0.000 0.196 465 K C -0.359 175.968 176.600 -0.454 0.000 1.023 465 K CA -0.006 56.132 56.287 -0.249 0.000 1.103 465 K CB 0.260 32.445 32.500 -0.524 0.000 0.848 465 K HN 0.071 nan 8.250 nan 0.000 0.528 466 Y N 2.417 122.710 120.300 -0.012 0.000 2.409 466 Y HA 0.363 4.913 4.550 -0.000 0.000 0.343 466 Y C -2.297 173.504 175.900 -0.165 0.000 0.973 466 Y CA -2.854 55.146 58.100 -0.167 0.000 1.064 466 Y CB 1.839 40.277 38.460 -0.038 0.000 1.207 466 Y HN -0.054 nan 8.280 nan 0.000 0.452 467 P HA 0.138 nan 4.420 nan 0.000 0.272 467 P C -0.842 176.540 177.300 0.138 0.000 1.230 467 P CA -0.016 63.049 63.100 -0.058 0.000 0.788 467 P CB 1.413 33.008 31.700 -0.175 0.000 0.949 468 L N 0.786 122.105 121.223 0.160 0.000 2.358 468 L HA 0.811 5.151 4.340 -0.000 0.000 0.268 468 L C 0.518 177.456 176.870 0.113 0.000 1.032 468 L CA -0.805 54.124 54.840 0.148 0.000 0.805 468 L CB 1.247 43.387 42.059 0.135 0.000 1.253 468 L HN 0.475 nan 8.230 nan 0.000 0.452 469 A N 1.146 123.993 122.820 0.044 0.000 2.604 469 A HA 0.683 5.003 4.320 -0.000 0.000 0.295 469 A C -1.572 175.976 177.584 -0.059 0.000 1.067 469 A CA -0.641 51.372 52.037 -0.040 0.000 0.683 469 A CB 1.850 20.755 19.000 -0.158 0.000 1.281 469 A HN 0.466 nan 8.150 nan 0.000 0.407 470 K N 1.477 121.832 120.400 -0.075 0.000 2.367 470 K HA 0.540 4.860 4.320 -0.000 0.000 0.263 470 K C -1.032 175.495 176.600 -0.122 0.000 1.000 470 K CA -0.371 55.865 56.287 -0.084 0.000 0.891 470 K CB 0.908 33.374 32.500 -0.057 0.000 1.117 470 K HN 0.526 nan 8.250 nan 0.000 0.443 471 V N 5.718 125.533 119.914 -0.166 0.000 2.458 471 V HA 0.007 4.127 4.120 -0.000 0.000 0.287 471 V C 0.906 176.855 176.094 -0.242 0.000 1.009 471 V CA 0.497 62.671 62.300 -0.211 0.000 1.091 471 V CB 0.464 32.129 31.823 -0.262 0.000 0.960 471 V HN 0.859 nan 8.190 nan 0.000 0.476 472 E N 2.667 122.768 120.200 -0.166 0.000 2.431 472 E HA 0.125 4.475 4.350 -0.000 0.000 0.200 472 E C 0.658 177.173 176.600 -0.140 0.000 0.995 472 E CA 0.599 56.913 56.400 -0.144 0.000 0.915 472 E CB 0.731 30.405 29.700 -0.042 0.000 0.930 472 E HN 0.846 nan 8.360 nan 0.000 0.496 473 S N -1.129 114.508 115.700 -0.105 0.000 2.703 473 S HA 0.257 4.727 4.470 -0.000 0.000 0.273 473 S C 0.225 174.813 174.600 -0.020 0.000 1.178 473 S CA -0.800 57.403 58.200 0.005 0.000 0.838 473 S CB 0.331 63.608 63.200 0.129 0.000 1.178 473 S HN 0.034 nan 8.310 nan 0.000 0.494 474 L N -0.299 120.914 121.223 -0.017 0.000 2.551 474 L HA 0.272 4.612 4.340 -0.000 0.000 0.228 474 L C 0.686 177.234 176.870 -0.536 0.000 1.153 474 L CA 1.002 55.680 54.840 -0.270 0.000 0.851 474 L CB -0.635 41.191 42.059 -0.389 0.000 0.959 474 L HN 0.644 nan 8.230 nan 0.000 0.451 475 F N -1.553 118.374 119.950 -0.038 0.000 2.767 475 F HA 0.145 4.672 4.527 -0.000 0.000 0.323 475 F C 0.936 176.705 175.800 -0.051 0.000 1.091 475 F CA -0.493 57.417 58.000 -0.148 0.000 1.192 475 F CB 0.844 39.724 39.000 -0.200 0.000 1.056 475 F HN -0.050 nan 8.300 nan 0.000 0.571 476 S N 1.154 116.979 115.700 0.209 0.000 2.540 476 S HA 0.748 5.218 4.470 -0.000 0.000 0.275 476 S C -0.924 173.758 174.600 0.136 0.000 1.123 476 S CA -0.752 57.618 58.200 0.283 0.000 0.907 476 S CB 2.064 65.463 63.200 0.332 0.000 1.081 476 S HN 0.244 nan 8.310 nan 0.000 0.476 477 I N -0.647 120.036 120.570 0.189 0.000 2.608 477 I HA 0.674 4.844 4.170 -0.000 0.000 0.295 477 I C -0.548 175.545 176.117 -0.040 0.000 1.049 477 I CA -1.128 60.174 61.300 0.003 0.000 1.063 477 I CB 2.107 40.064 38.000 -0.071 0.000 1.248 477 I HN 0.789 nan 8.210 nan 0.000 0.424 478 R N 5.202 125.659 120.500 -0.072 0.000 2.278 478 R HA 0.345 4.685 4.340 -0.000 0.000 0.322 478 R C -0.389 175.884 176.300 -0.045 0.000 1.058 478 R CA -0.591 55.494 56.100 -0.025 0.000 0.991 478 R CB 0.310 30.615 30.300 0.009 0.000 1.140 478 R HN 0.731 nan 8.270 nan 0.000 0.518 479 H N 2.264 121.375 119.070 0.069 0.000 2.983 479 H HA -0.111 4.445 4.556 -0.000 0.000 0.361 479 H C 0.991 176.353 175.328 0.057 0.000 1.145 479 H CA 1.229 57.315 56.048 0.063 0.000 1.404 479 H CB 0.914 30.712 29.762 0.059 0.000 1.356 479 H HN 0.689 nan 8.280 nan 0.000 0.612 480 E N 1.049 121.368 120.200 0.197 0.000 2.409 480 E HA -0.189 4.161 4.350 -0.000 0.000 0.198 480 E C 0.806 177.482 176.600 0.127 0.000 1.024 480 E CA 1.238 57.721 56.400 0.138 0.000 0.861 480 E CB -0.090 29.695 29.700 0.142 0.000 0.788 480 E HN 0.604 nan 8.360 nan 0.000 0.521 481 N N 0.309 119.094 118.700 0.141 0.000 2.461 481 N HA 0.046 4.786 4.740 -0.000 0.000 0.188 481 N C 1.335 176.898 175.510 0.088 0.000 1.134 481 N CA 0.870 53.980 53.050 0.100 0.000 0.878 481 N CB 0.620 39.153 38.487 0.076 0.000 0.972 481 N HN 0.329 nan 8.380 nan 0.000 0.456 482 G N -1.642 107.220 108.800 0.104 0.000 2.213 482 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.226 482 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.226 482 G C 0.209 175.162 174.900 0.089 0.000 0.992 482 G CA 0.011 45.159 45.100 0.081 0.000 0.632 482 G HN 0.784 nan 8.290 nan 0.000 0.511 483 A N 0.074 122.965 122.820 0.117 0.000 2.371 483 A HA 0.718 5.038 4.320 -0.000 0.000 0.257 483 A C 0.326 178.015 177.584 0.176 0.000 1.089 483 A CA 0.246 52.356 52.037 0.121 0.000 0.794 483 A CB 1.185 20.244 19.000 0.098 0.000 1.029 483 A HN 1.118 nan 8.150 nan 0.000 0.488 484 V N 2.427 122.425 119.914 0.140 0.000 2.394 484 V HA 0.333 4.453 4.120 -0.000 0.000 0.282 484 V C 0.280 176.477 176.094 0.171 0.000 1.031 484 V CA -0.431 61.956 62.300 0.145 0.000 0.881 484 V CB 1.258 33.149 31.823 0.114 0.000 0.982 484 V HN 0.997 nan 8.190 nan 0.000 0.451 485 E N 3.394 123.707 120.200 0.189 0.000 2.191 485 E HA 0.468 4.818 4.350 -0.000 0.000 0.274 485 E C -1.720 174.929 176.600 0.082 0.000 0.948 485 E CA -0.645 55.813 56.400 0.096 0.000 0.802 485 E CB 1.557 31.309 29.700 0.086 0.000 1.137 485 E HN 0.507 nan 8.360 nan 0.000 0.397 486 F N 4.109 123.963 119.950 -0.160 0.000 2.443 486 F HA 0.477 5.004 4.527 -0.000 0.000 0.335 486 F C -1.420 174.242 175.800 -0.231 0.000 1.104 486 F CA -0.706 57.270 58.000 -0.040 0.000 1.013 486 F CB 0.651 39.644 39.000 -0.011 0.000 1.136 486 F HN 0.363 nan 8.300 nan 0.000 0.470 487 F N 5.164 124.782 119.950 -0.554 0.000 2.469 487 F HA 0.483 5.010 4.527 -0.000 0.000 0.332 487 F C 1.142 176.706 175.800 -0.393 0.000 1.103 487 F CA -0.911 56.906 58.000 -0.305 0.000 0.979 487 F CB 1.352 40.255 39.000 -0.161 0.000 1.137 487 F HN 0.383 nan 8.300 nan 0.000 0.463 488 R N 0.466 120.977 120.500 0.019 0.000 2.189 488 R HA 0.033 4.373 4.340 -0.000 0.000 0.218 488 R C -0.236 176.142 176.300 0.130 0.000 1.074 488 R CA 0.655 56.788 56.100 0.054 0.000 0.991 488 R CB -0.354 29.993 30.300 0.079 0.000 0.883 488 R HN 0.561 nan 8.270 nan 0.000 0.457 489 E N 0.466 120.775 120.200 0.182 0.000 2.212 489 E HA 0.480 4.830 4.350 -0.000 0.000 0.268 489 E C -0.748 175.934 176.600 0.137 0.000 0.902 489 E CA -0.805 55.704 56.400 0.182 0.000 0.779 489 E CB 1.925 31.680 29.700 0.093 0.000 1.172 489 E HN 0.017 nan 8.360 nan 0.000 0.409 490 A N 3.108 125.944 122.820 0.026 0.000 2.498 490 A HA 0.228 4.548 4.320 -0.000 0.000 0.239 490 A C 0.401 177.815 177.584 -0.284 0.000 1.068 490 A CA -0.114 51.690 52.037 -0.388 0.000 0.766 490 A CB -0.019 18.717 19.000 -0.440 0.000 1.003 490 A HN 0.560 nan 8.150 nan 0.000 0.497 491 L N 1.779 122.784 121.223 -0.364 0.000 2.466 491 L HA 0.293 4.633 4.340 -0.000 0.000 0.257 491 L C 1.311 178.052 176.870 -0.216 0.000 1.189 491 L CA -0.296 54.357 54.840 -0.312 0.000 0.813 491 L CB 0.735 42.571 42.059 -0.372 0.000 1.118 491 L HN 0.909 nan 8.230 nan 0.000 0.471 492 S N 0.222 115.814 115.700 -0.180 0.000 2.576 492 S HA 0.194 4.664 4.470 -0.000 0.000 0.276 492 S C -1.872 172.673 174.600 -0.091 0.000 1.339 492 S CA -1.015 57.109 58.200 -0.127 0.000 1.039 492 S CB 1.164 64.296 63.200 -0.115 0.000 0.902 492 S HN 0.393 nan 8.310 nan 0.000 0.516 493 P HA 0.007 nan 4.420 nan 0.000 0.218 493 P C 1.538 178.834 177.300 -0.007 0.000 1.149 493 P CA 1.573 64.645 63.100 -0.047 0.000 0.817 493 P CB -0.193 31.458 31.700 -0.082 0.000 0.785 494 A N -0.800 121.998 122.820 -0.037 0.000 2.076 494 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 494 A C 2.226 179.791 177.584 -0.032 0.000 1.160 494 A CA 1.570 53.587 52.037 -0.034 0.000 0.653 494 A CB -1.443 17.525 19.000 -0.053 0.000 0.801 494 A HN 0.158 nan 8.150 nan 0.000 0.455 495 V N -1.534 118.352 119.914 -0.047 0.000 3.590 495 V HA 0.167 4.287 4.120 -0.000 0.000 0.265 495 V C 0.625 176.686 176.094 -0.054 0.000 1.239 495 V CA -0.291 61.961 62.300 -0.080 0.000 1.117 495 V CB -0.688 31.046 31.823 -0.149 0.000 0.818 495 V HN 0.523 nan 8.190 nan 0.000 0.451 496 F N 1.532 121.408 119.950 -0.124 0.000 2.612 496 F HA 0.281 4.808 4.527 -0.000 0.000 0.389 496 F C 1.235 176.987 175.800 -0.080 0.000 1.055 496 F CA 0.638 58.573 58.000 -0.109 0.000 1.232 496 F CB 0.280 39.221 39.000 -0.100 0.000 1.044 496 F HN 0.235 nan 8.300 nan 0.000 0.560 497 A N 2.907 125.208 122.820 -0.866 0.000 3.100 497 A HA -0.274 4.046 4.320 -0.000 0.000 0.268 497 A C 0.839 178.277 177.584 -0.243 0.000 1.227 497 A CA 1.375 53.056 52.037 -0.595 0.000 0.967 497 A CB -2.096 16.585 19.000 -0.532 0.000 1.066 497 A HN 0.616 nan 8.150 nan 0.000 0.787 498 K N -0.506 119.787 120.400 -0.178 0.000 2.109 498 K HA 0.608 4.928 4.320 -0.000 0.000 0.243 498 K C 0.162 176.702 176.600 -0.099 0.000 1.006 498 K CA -0.425 55.802 56.287 -0.100 0.000 0.917 498 K CB 1.234 33.690 32.500 -0.072 0.000 1.081 498 K HN 0.206 nan 8.250 nan 0.000 0.468 499 V N 1.782 121.662 119.914 -0.057 0.000 2.481 499 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 499 V C 0.084 176.158 176.094 -0.033 0.000 1.042 499 V CA -0.640 61.639 62.300 -0.035 0.000 0.928 499 V CB 1.453 33.279 31.823 0.004 0.000 0.986 499 V HN 0.596 nan 8.190 nan 0.000 0.462 500 V N 3.151 123.041 119.914 -0.039 0.000 3.102 500 V HA 0.802 4.922 4.120 -0.000 0.000 0.312 500 V C -1.168 174.941 176.094 0.025 0.000 1.135 500 V CA -0.917 61.337 62.300 -0.077 0.000 1.022 500 V CB 2.027 33.752 31.823 -0.164 0.000 1.056 500 V HN 0.831 nan 8.190 nan 0.000 0.436 501 Y N 0.812 121.114 120.300 0.004 0.000 2.509 501 Y HA 0.869 5.419 4.550 -0.000 0.000 0.341 501 Y C -0.656 175.233 175.900 -0.018 0.000 1.038 501 Y CA -2.108 56.013 58.100 0.034 0.000 1.089 501 Y CB 1.527 40.045 38.460 0.097 0.000 1.241 501 Y HN 0.628 nan 8.280 nan 0.000 0.468 502 I N 3.516 124.206 120.570 0.202 0.000 2.359 502 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 502 I C -0.551 175.498 176.117 -0.114 0.000 1.018 502 I CA -0.762 60.554 61.300 0.026 0.000 1.173 502 I CB 1.433 39.470 38.000 0.061 0.000 1.326 502 I HN 0.627 nan 8.210 nan 0.000 0.462 503 K N 6.729 126.963 120.400 -0.277 0.000 2.414 503 K HA 0.207 4.527 4.320 -0.000 0.000 0.251 503 K C -0.556 175.876 176.600 -0.280 0.000 1.037 503 K CA -0.271 55.643 56.287 -0.621 0.000 0.980 503 K CB 0.508 32.623 32.500 -0.641 0.000 1.280 503 K HN 0.391 nan 8.250 nan 0.000 0.451 504 E N 2.598 122.690 120.200 -0.181 0.000 2.291 504 E HA -0.222 4.128 4.350 -0.000 0.000 0.181 504 E C 0.660 177.231 176.600 -0.048 0.000 1.480 504 E CA 1.342 57.698 56.400 -0.073 0.000 0.674 504 E CB -1.637 28.031 29.700 -0.053 0.000 1.108 504 E HN 1.131 nan 8.360 nan 0.000 0.357 505 G N 0.468 109.255 108.800 -0.022 0.000 2.562 505 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.241 505 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.241 505 G C 0.187 175.084 174.900 -0.005 0.000 1.120 505 G CA 0.643 45.752 45.100 0.015 0.000 0.673 505 G HN 0.374 nan 8.290 nan 0.000 0.519 506 E N 1.258 121.423 120.200 -0.059 0.000 2.366 506 E HA 0.370 4.720 4.350 -0.000 0.000 0.266 506 E C 0.691 177.201 176.600 -0.150 0.000 1.015 506 E CA -0.004 56.337 56.400 -0.098 0.000 0.906 506 E CB 0.649 30.283 29.700 -0.109 0.000 0.979 506 E HN 0.510 nan 8.360 nan 0.000 0.443 507 L N 3.088 124.207 121.223 -0.172 0.000 2.290 507 L HA 0.283 4.623 4.340 -0.000 0.000 0.284 507 L C -0.079 176.608 176.870 -0.306 0.000 1.078 507 L CA -0.748 53.956 54.840 -0.227 0.000 0.815 507 L CB 0.949 42.869 42.059 -0.231 0.000 1.162 507 L HN 0.094 nan 8.230 nan 0.000 0.435 508 V N 4.742 124.362 119.914 -0.489 0.000 2.448 508 V HA 0.364 4.484 4.120 -0.000 0.000 0.295 508 V C -2.199 173.602 176.094 -0.488 0.000 1.025 508 V CA -1.899 60.041 62.300 -0.599 0.000 0.859 508 V CB 1.886 33.041 31.823 -1.112 0.000 0.988 508 V HN 0.592 nan 8.190 nan 0.000 0.431 509 P HA 0.342 nan 4.420 nan 0.000 0.271 509 P C -0.673 176.585 177.300 -0.070 0.000 1.216 509 P CA -0.005 63.007 63.100 -0.145 0.000 0.776 509 P CB 0.585 32.227 31.700 -0.097 0.000 0.881 510 I N 2.984 123.547 120.570 -0.011 0.000 2.405 510 I HA 0.172 4.342 4.170 -0.000 0.000 0.280 510 I C -0.039 176.099 176.117 0.035 0.000 1.027 510 I CA -0.376 60.960 61.300 0.060 0.000 1.161 510 I CB 0.962 39.025 38.000 0.105 0.000 1.300 510 I HN 0.108 nan 8.210 nan 0.000 0.463 511 D N 7.013 127.434 120.400 0.036 0.000 2.508 511 D HA 0.132 4.772 4.640 -0.000 0.000 0.224 511 D C -0.406 175.912 176.300 0.030 0.000 1.171 511 D CA 0.399 54.414 54.000 0.025 0.000 1.006 511 D CB 0.442 41.255 40.800 0.021 0.000 1.073 511 D HN 0.478 nan 8.370 nan 0.000 0.513 512 N N 0.185 118.901 118.700 0.027 0.000 2.446 512 N HA 0.148 4.888 4.740 -0.000 0.000 0.272 512 N C -0.143 175.379 175.510 0.020 0.000 1.127 512 N CA -0.507 52.559 53.050 0.027 0.000 0.896 512 N CB 1.895 40.404 38.487 0.036 0.000 1.658 512 N HN 0.075 nan 8.380 nan 0.000 0.483 513 A N 1.387 124.216 122.820 0.016 0.000 2.119 513 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 513 A C 0.608 178.197 177.584 0.007 0.000 1.152 513 A CA 0.607 52.650 52.037 0.010 0.000 0.708 513 A CB -0.221 18.785 19.000 0.010 0.000 0.805 513 A HN 0.541 nan 8.150 nan 0.000 0.460 514 S N 2.311 118.018 115.700 0.012 0.000 2.537 514 S HA 0.301 4.771 4.470 -0.000 0.000 0.286 514 S C -2.174 172.432 174.600 0.010 0.000 1.299 514 S CA -0.682 57.524 58.200 0.009 0.000 1.067 514 S CB 0.353 63.561 63.200 0.014 0.000 0.864 514 S HN 0.439 nan 8.310 nan 0.000 0.494 515 P HA 0.095 nan 4.420 nan 0.000 0.272 515 P C 1.118 178.426 177.300 0.014 0.000 1.223 515 P CA -0.570 62.532 63.100 0.004 0.000 0.784 515 P CB 0.679 32.377 31.700 -0.002 0.000 0.923 516 L N 1.739 122.972 121.223 0.017 0.000 2.034 516 L HA -0.309 4.031 4.340 -0.000 0.000 0.217 516 L C 2.081 178.974 176.870 0.039 0.000 1.077 516 L CA 2.138 56.997 54.840 0.033 0.000 0.769 516 L CB -0.571 41.506 42.059 0.030 0.000 0.890 516 L HN 0.292 nan 8.230 nan 0.000 0.435 517 E N -0.175 120.042 120.200 0.028 0.000 2.160 517 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 517 E C 2.031 178.645 176.600 0.023 0.000 0.991 517 E CA 1.329 57.745 56.400 0.027 0.000 0.810 517 E CB -0.154 29.556 29.700 0.016 0.000 0.742 517 E HN 0.323 nan 8.360 nan 0.000 0.466 518 K N 0.560 120.969 120.400 0.016 0.000 2.076 518 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 518 K C 1.752 178.365 176.600 0.022 0.000 1.051 518 K CA 0.813 57.105 56.287 0.009 0.000 0.949 518 K CB -0.195 32.304 32.500 -0.002 0.000 0.726 518 K HN 0.103 nan 8.250 nan 0.000 0.443 519 I N 0.426 121.017 120.570 0.035 0.000 2.179 519 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 519 I C 2.574 178.726 176.117 0.059 0.000 1.088 519 I CA 1.396 62.726 61.300 0.049 0.000 1.357 519 I CB -0.326 37.713 38.000 0.065 0.000 1.051 519 I HN 0.217 nan 8.210 nan 0.000 0.409 520 R N 1.167 121.707 120.500 0.067 0.000 2.096 520 R HA -0.246 4.094 4.340 -0.000 0.000 0.240 520 R C 2.397 178.729 176.300 0.054 0.000 1.139 520 R CA 1.848 57.995 56.100 0.079 0.000 0.952 520 R CB -0.425 29.924 30.300 0.082 0.000 0.854 520 R HN 0.227 nan 8.270 nan 0.000 0.436 521 L N 0.640 121.886 121.223 0.038 0.000 2.046 521 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 521 L C 2.154 179.039 176.870 0.024 0.000 1.077 521 L CA 1.497 56.352 54.840 0.025 0.000 0.747 521 L CB -0.311 41.756 42.059 0.013 0.000 0.896 521 L HN 0.073 nan 8.230 nan 0.000 0.432 522 V N -0.180 119.750 119.914 0.027 0.000 2.548 522 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 522 V C 2.734 178.845 176.094 0.029 0.000 1.055 522 V CA 1.778 64.095 62.300 0.030 0.000 1.065 522 V CB -0.736 31.105 31.823 0.031 0.000 0.681 522 V HN 0.512 nan 8.190 nan 0.000 0.462 523 R N 0.493 121.013 120.500 0.034 0.000 2.070 523 R HA -0.145 4.195 4.340 -0.000 0.000 0.233 523 R C 2.533 178.839 176.300 0.010 0.000 1.137 523 R CA 1.657 57.775 56.100 0.031 0.000 0.945 523 R CB -0.168 30.167 30.300 0.059 0.000 0.845 523 R HN 0.424 nan 8.270 nan 0.000 0.430 524 R N 0.052 120.554 120.500 0.005 0.000 2.115 524 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 524 R C 2.454 178.755 176.300 0.002 0.000 1.111 524 R CA 1.542 57.633 56.100 -0.015 0.000 0.976 524 R CB -0.194 30.096 30.300 -0.016 0.000 0.870 524 R HN 0.438 nan 8.270 nan 0.000 0.445 525 Q N 0.268 120.076 119.800 0.014 0.000 2.123 525 Q HA -0.031 4.309 4.340 -0.000 0.000 0.199 525 Q C 2.226 178.235 176.000 0.015 0.000 0.966 525 Q CA 1.280 57.095 55.803 0.021 0.000 0.845 525 Q CB -0.035 28.722 28.738 0.032 0.000 0.907 525 Q HN 0.359 nan 8.270 nan 0.000 0.439 526 A N 1.495 124.321 122.820 0.010 0.000 1.902 526 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 526 A C 1.887 179.460 177.584 -0.017 0.000 1.181 526 A CA 1.503 53.535 52.037 -0.008 0.000 0.623 526 A CB -0.268 18.727 19.000 -0.007 0.000 0.818 526 A HN 0.173 nan 8.150 nan 0.000 0.443 527 K N -0.264 120.144 120.400 0.014 0.000 2.026 527 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 527 K C 2.008 178.657 176.600 0.083 0.000 1.048 527 K CA 1.708 58.038 56.287 0.072 0.000 0.929 527 K CB -0.207 32.328 32.500 0.059 0.000 0.713 527 K HN 0.653 nan 8.250 nan 0.000 0.439 528 E N 0.934 121.161 120.200 0.045 0.000 2.047 528 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 528 E C 1.920 178.539 176.600 0.031 0.000 0.987 528 E CA 1.185 57.615 56.400 0.049 0.000 0.799 528 E CB -0.013 29.708 29.700 0.036 0.000 0.752 528 E HN 0.188 nan 8.360 nan 0.000 0.449 529 K N 0.402 120.805 120.400 0.004 0.000 2.211 529 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 529 K C 1.934 178.499 176.600 -0.059 0.000 1.047 529 K CA 0.897 57.174 56.287 -0.018 0.000 0.935 529 K CB 0.134 32.623 32.500 -0.019 0.000 0.728 529 K HN -0.021 nan 8.250 nan 0.000 0.452 530 V N -0.418 119.427 119.914 -0.115 0.000 2.398 530 V HA -0.066 4.054 4.120 -0.000 0.000 0.236 530 V C 1.721 177.687 176.094 -0.214 0.000 1.054 530 V CA 1.139 63.291 62.300 -0.247 0.000 1.060 530 V CB -0.438 31.092 31.823 -0.487 0.000 0.707 530 V HN 0.133 nan 8.190 nan 0.000 0.480 531 F N 0.111 120.050 119.950 -0.018 0.000 2.146 531 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 531 F C 2.365 178.154 175.800 -0.018 0.000 1.096 531 F CA 1.326 59.314 58.000 -0.020 0.000 1.275 531 F CB -0.416 38.568 39.000 -0.027 0.000 1.008 531 F HN -0.067 nan 8.300 nan 0.000 0.480 532 V N -0.636 119.378 119.914 0.167 0.000 2.427 532 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 532 V C 2.198 178.331 176.094 0.066 0.000 1.051 532 V CA 2.257 64.617 62.300 0.100 0.000 1.048 532 V CB -0.928 30.945 31.823 0.083 0.000 0.666 532 V HN 0.373 nan 8.190 nan 0.000 0.456 533 T N 0.288 114.869 114.554 0.045 0.000 2.708 533 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 533 T C 1.873 176.580 174.700 0.012 0.000 1.037 533 T CA 1.632 63.743 62.100 0.018 0.000 1.146 533 T CB -0.344 68.521 68.868 -0.005 0.000 0.865 533 T HN 0.387 nan 8.240 nan 0.000 0.435 534 N N 0.491 119.205 118.700 0.023 0.000 2.244 534 N HA -0.029 4.711 4.740 -0.000 0.000 0.183 534 N C 2.035 177.563 175.510 0.030 0.000 1.016 534 N CA 0.560 53.626 53.050 0.026 0.000 0.866 534 N CB -0.710 37.802 38.487 0.041 0.000 0.980 534 N HN 0.382 nan 8.380 nan 0.000 0.430 535 C N 0.762 120.091 119.300 0.048 0.000 2.413 535 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 535 C C 2.750 177.721 174.990 -0.032 0.000 1.228 535 C CA 0.377 59.404 59.018 0.015 0.000 1.731 535 C CB -1.215 26.536 27.740 0.019 0.000 2.042 535 C HN 0.434 nan 8.230 nan 0.000 0.468 536 L N -0.038 121.160 121.223 -0.042 0.000 2.131 536 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 536 L C 2.783 179.607 176.870 -0.077 0.000 1.092 536 L CA 1.377 56.159 54.840 -0.096 0.000 0.759 536 L CB -0.636 41.375 42.059 -0.080 0.000 0.903 536 L HN 0.354 nan 8.230 nan 0.000 0.435 537 R N -0.252 120.224 120.500 -0.041 0.000 2.115 537 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 537 R C 2.354 178.632 176.300 -0.036 0.000 1.100 537 R CA 1.150 57.230 56.100 -0.033 0.000 0.980 537 R CB -0.135 30.155 30.300 -0.018 0.000 0.875 537 R HN 0.342 nan 8.270 nan 0.000 0.445 538 A N 0.304 123.103 122.820 -0.036 0.000 1.929 538 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 538 A C 1.951 179.504 177.584 -0.051 0.000 1.176 538 A CA 0.815 52.828 52.037 -0.040 0.000 0.628 538 A CB -0.263 18.715 19.000 -0.036 0.000 0.816 538 A HN 0.250 nan 8.150 nan 0.000 0.444 539 L N -1.500 119.683 121.223 -0.066 0.000 2.395 539 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 539 L C 2.527 179.348 176.870 -0.082 0.000 1.130 539 L CA 0.785 55.578 54.840 -0.079 0.000 0.826 539 L CB -0.256 41.735 42.059 -0.114 0.000 0.941 539 L HN 0.367 nan 8.230 nan 0.000 0.451 540 R N -0.126 120.326 120.500 -0.079 0.000 2.300 540 R HA -0.037 4.303 4.340 -0.000 0.000 0.199 540 R C 1.933 178.207 176.300 -0.042 0.000 0.920 540 R CA 0.204 56.264 56.100 -0.067 0.000 1.046 540 R CB 0.277 30.536 30.300 -0.068 0.000 0.984 540 R HN 0.293 nan 8.270 nan 0.000 0.493 541 Q N 0.492 120.269 119.800 -0.038 0.000 2.319 541 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 541 Q C 0.417 176.402 176.000 -0.024 0.000 0.896 541 Q CA 0.253 56.040 55.803 -0.027 0.000 0.942 541 Q CB 0.904 29.628 28.738 -0.024 0.000 1.083 541 Q HN 0.278 nan 8.270 nan 0.000 0.510 542 V N -0.929 118.968 119.914 -0.028 0.000 3.252 542 V HA 0.367 4.487 4.120 -0.000 0.000 0.350 542 V C -0.518 175.566 176.094 -0.018 0.000 1.329 542 V CA 0.138 62.425 62.300 -0.022 0.000 1.258 542 V CB -0.827 30.982 31.823 -0.025 0.000 1.208 542 V HN 0.291 nan 8.190 nan 0.000 0.462 543 S N -0.819 114.871 115.700 -0.016 0.000 2.902 543 S HA 0.197 4.667 4.470 -0.000 0.000 0.291 543 S C -2.689 171.903 174.600 -0.012 0.000 0.641 543 S CA -0.923 57.270 58.200 -0.012 0.000 0.669 543 S CB -0.459 62.735 63.200 -0.010 0.000 0.881 543 S HN 0.349 nan 8.310 nan 0.000 0.599 544 P HA 0.444 nan 4.420 nan 0.000 0.270 544 P C 1.385 178.682 177.300 -0.005 0.000 1.221 544 P CA 1.422 64.518 63.100 -0.007 0.000 0.788 544 P CB -0.174 31.524 31.700 -0.004 0.000 0.904 545 G N -0.147 108.651 108.800 -0.003 0.000 2.399 545 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 545 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 545 G C 0.701 175.601 174.900 0.001 0.000 1.096 545 G CA 0.300 45.400 45.100 0.001 0.000 0.650 545 G HN 1.347 nan 8.290 nan 0.000 0.512 546 G N -0.545 108.251 108.800 -0.008 0.000 2.203 546 G HA2 0.050 4.010 3.960 -0.000 0.000 0.231 546 G HA3 0.050 4.010 3.960 -0.000 0.000 0.231 546 G C 1.045 175.935 174.900 -0.017 0.000 1.058 546 G CA 1.235 46.326 45.100 -0.016 0.000 0.781 546 G HN 1.660 nan 8.290 nan 0.000 0.496 547 S N -0.295 115.396 115.700 -0.016 0.000 2.370 547 S HA -0.077 4.393 4.470 -0.000 0.000 0.226 547 S C 2.294 176.872 174.600 -0.036 0.000 1.033 547 S CA 1.263 59.459 58.200 -0.007 0.000 1.011 547 S CB -0.177 63.020 63.200 -0.004 0.000 0.852 547 S HN 1.097 nan 8.310 nan 0.000 0.457 548 I N -0.243 120.273 120.570 -0.090 0.000 4.198 548 I HA -0.506 3.664 4.170 -0.000 0.000 0.096 548 I C 1.565 177.613 176.117 -0.115 0.000 0.540 548 I CA 2.180 63.377 61.300 -0.172 0.000 1.132 548 I CB -0.780 36.969 38.000 -0.418 0.000 1.005 548 I HN 0.344 nan 8.210 nan 0.000 0.186 549 R N 0.798 121.274 120.500 -0.039 0.000 2.339 549 R HA -0.079 4.261 4.340 -0.000 0.000 0.199 549 R C 1.168 177.463 176.300 -0.009 0.000 1.018 549 R CA 1.135 57.239 56.100 0.007 0.000 1.036 549 R CB -0.342 29.997 30.300 0.064 0.000 0.899 549 R HN 0.496 nan 8.270 nan 0.000 0.473 550 D N 0.956 121.346 120.400 -0.017 0.000 2.144 550 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 550 D C 0.030 176.327 176.300 -0.005 0.000 0.984 550 D CA 1.046 55.041 54.000 -0.009 0.000 0.834 550 D CB 0.117 40.909 40.800 -0.014 0.000 0.955 550 D HN 0.016 nan 8.370 nan 0.000 0.465 551 I N -0.135 120.425 120.570 -0.017 0.000 2.353 551 I HA 0.239 4.409 4.170 -0.000 0.000 0.293 551 I C 1.083 177.190 176.117 -0.017 0.000 0.992 551 I CA -0.321 60.979 61.300 -0.001 0.000 1.268 551 I CB 1.766 39.760 38.000 -0.010 0.000 1.387 551 I HN -0.160 nan 8.210 nan 0.000 0.478 552 A N 5.760 128.591 122.820 0.018 0.000 1.984 552 A HA 0.283 4.603 4.320 -0.000 0.000 0.214 552 A C 0.373 177.744 177.584 -0.355 0.000 1.173 552 A CA 0.918 52.883 52.037 -0.119 0.000 0.673 552 A CB -0.013 18.994 19.000 0.010 0.000 0.830 552 A HN 0.461 nan 8.150 nan 0.000 0.453 553 F N -1.264 118.676 119.950 -0.016 0.000 2.540 553 F HA 0.589 5.116 4.527 -0.000 0.000 0.317 553 F C -0.496 175.290 175.800 -0.025 0.000 1.104 553 F CA -0.948 57.041 58.000 -0.018 0.000 0.913 553 F CB 2.331 41.321 39.000 -0.018 0.000 1.170 553 F HN -0.217 nan 8.300 nan 0.000 0.450 554 V N 3.867 123.859 119.914 0.130 0.000 2.483 554 V HA 0.519 4.639 4.120 -0.000 0.000 0.297 554 V C -0.841 175.288 176.094 0.058 0.000 1.027 554 V CA -0.801 61.535 62.300 0.061 0.000 0.855 554 V CB 1.992 33.820 31.823 0.007 0.000 0.995 554 V HN 0.515 nan 8.190 nan 0.000 0.424 555 V N 6.610 126.547 119.914 0.037 0.000 2.384 555 V HA 0.474 4.594 4.120 -0.000 0.000 0.287 555 V C -0.152 175.936 176.094 -0.010 0.000 1.020 555 V CA -0.491 61.819 62.300 0.018 0.000 0.850 555 V CB 1.670 33.500 31.823 0.012 0.000 0.987 555 V HN 0.629 nan 8.190 nan 0.000 0.436 556 L N 5.818 127.026 121.223 -0.025 0.000 2.275 556 L HA 0.701 5.041 4.340 -0.000 0.000 0.288 556 L C -0.174 176.664 176.870 -0.054 0.000 1.046 556 L CA -0.255 54.552 54.840 -0.055 0.000 0.805 556 L CB 1.566 43.576 42.059 -0.081 0.000 1.193 556 L HN 0.408 nan 8.230 nan 0.000 0.426 557 V N 1.728 121.607 119.914 -0.058 0.000 3.156 557 V HA 0.953 5.073 4.120 -0.000 0.000 0.310 557 V C -0.003 176.057 176.094 -0.056 0.000 1.234 557 V CA 0.284 62.557 62.300 -0.045 0.000 1.065 557 V CB 2.175 33.984 31.823 -0.025 0.000 1.088 557 V HN 0.962 nan 8.190 nan 0.000 0.451 558 G N 0.532 109.310 108.800 -0.036 0.000 2.699 558 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 558 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 558 G C 0.716 175.590 174.900 -0.042 0.000 1.301 558 G CA -0.080 45.002 45.100 -0.030 0.000 0.816 558 G HN 1.786 nan 8.290 nan 0.000 0.595 559 G N -0.319 108.469 108.800 -0.021 0.000 2.469 559 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 559 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 559 G C 2.035 176.907 174.900 -0.047 0.000 1.150 559 G CA 2.130 47.220 45.100 -0.018 0.000 0.763 559 G HN 1.511 nan 8.290 nan 0.000 0.561 560 S N 0.305 115.952 115.700 -0.088 0.000 2.515 560 S HA 0.039 4.509 4.470 -0.000 0.000 0.231 560 S C 2.321 176.777 174.600 -0.239 0.000 0.987 560 S CA 0.686 58.785 58.200 -0.168 0.000 0.936 560 S CB 0.050 63.071 63.200 -0.298 0.000 0.766 560 S HN 0.291 nan 8.310 nan 0.000 0.528 561 S N 1.121 116.706 115.700 -0.193 0.000 2.561 561 S HA 0.234 4.704 4.470 -0.000 0.000 0.225 561 S C 1.250 175.795 174.600 -0.093 0.000 0.977 561 S CA 0.323 58.425 58.200 -0.162 0.000 0.926 561 S CB -0.119 63.008 63.200 -0.122 0.000 0.769 561 S HN 0.432 nan 8.310 nan 0.000 0.533 562 L N 0.741 121.926 121.223 -0.064 0.000 2.607 562 L HA 0.208 4.548 4.340 -0.000 0.000 0.228 562 L C 0.507 177.380 176.870 0.005 0.000 1.123 562 L CA -0.118 54.710 54.840 -0.019 0.000 0.890 562 L CB -0.119 41.938 42.059 -0.003 0.000 1.103 562 L HN 0.142 nan 8.230 nan 0.000 0.468 563 D N 0.131 120.515 120.400 -0.026 0.000 2.443 563 D HA -0.120 4.519 4.640 -0.000 0.000 0.239 563 D C 1.301 177.635 176.300 0.057 0.000 1.136 563 D CA -0.096 53.913 54.000 0.015 0.000 0.879 563 D CB 0.630 41.391 40.800 -0.066 0.000 1.195 563 D HN 0.221 nan 8.370 nan 0.000 0.443 564 F N 0.899 120.823 119.950 -0.042 0.000 2.641 564 F HA 0.132 4.659 4.527 -0.000 0.000 0.298 564 F C 1.149 176.943 175.800 -0.011 0.000 1.146 564 F CA 0.407 58.398 58.000 -0.015 0.000 1.464 564 F CB 0.004 39.009 39.000 0.008 0.000 1.101 564 F HN 0.368 nan 8.300 nan 0.000 0.585 565 E N 0.439 120.302 120.200 -0.561 0.000 2.441 565 E HA 0.148 4.498 4.350 -0.000 0.000 0.207 565 E C 2.075 178.524 176.600 -0.253 0.000 0.803 565 E CA 0.214 56.321 56.400 -0.489 0.000 1.240 565 E CB -0.005 29.255 29.700 -0.734 0.000 1.233 565 E HN 0.357 nan 8.360 nan 0.000 0.590 566 I N 3.194 123.633 120.570 -0.218 0.000 2.151 566 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 566 I C -0.629 175.405 176.117 -0.139 0.000 1.080 566 I CA 1.463 62.672 61.300 -0.153 0.000 1.339 566 I CB -1.187 36.684 38.000 -0.213 0.000 1.039 566 I HN 0.135 nan 8.210 nan 0.000 0.409 567 P HA -0.178 nan 4.420 nan 0.000 0.217 567 P C 1.188 178.445 177.300 -0.072 0.000 1.150 567 P CA 1.463 64.502 63.100 -0.102 0.000 0.832 567 P CB -0.205 31.445 31.700 -0.083 0.000 0.787 568 Q N 0.009 119.767 119.800 -0.070 0.000 2.172 568 Q HA -0.031 4.309 4.340 -0.000 0.000 0.200 568 Q C 2.508 178.478 176.000 -0.049 0.000 0.964 568 Q CA 0.903 56.674 55.803 -0.053 0.000 0.855 568 Q CB -1.462 27.249 28.738 -0.044 0.000 0.918 568 Q HN 0.327 nan 8.270 nan 0.000 0.444 569 L N 0.373 121.563 121.223 -0.056 0.000 2.042 569 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 569 L C 2.452 179.314 176.870 -0.013 0.000 1.076 569 L CA 1.077 55.899 54.840 -0.029 0.000 0.749 569 L CB -0.367 41.678 42.059 -0.025 0.000 0.893 569 L HN 0.133 nan 8.230 nan 0.000 0.432 570 I N -1.130 119.427 120.570 -0.022 0.000 2.439 570 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 570 I C 2.428 178.529 176.117 -0.027 0.000 1.139 570 I CA 1.031 62.323 61.300 -0.012 0.000 1.438 570 I CB -0.394 37.591 38.000 -0.025 0.000 1.085 570 I HN 0.209 nan 8.210 nan 0.000 0.427 571 T N 0.084 114.613 114.554 -0.042 0.000 2.708 571 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 571 T C 1.765 176.413 174.700 -0.087 0.000 1.037 571 T CA 1.736 63.803 62.100 -0.055 0.000 1.146 571 T CB -0.148 68.691 68.868 -0.048 0.000 0.865 571 T HN 0.305 nan 8.240 nan 0.000 0.435 572 E N 1.599 121.750 120.200 -0.081 0.000 2.007 572 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 572 E C 2.296 178.773 176.600 -0.205 0.000 0.999 572 E CA 1.588 57.911 56.400 -0.128 0.000 0.811 572 E CB -0.789 28.886 29.700 -0.041 0.000 0.762 572 E HN 0.356 nan 8.360 nan 0.000 0.450 573 A N 0.393 123.192 122.820 -0.036 0.000 1.869 573 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 573 A C 2.225 179.863 177.584 0.089 0.000 1.203 573 A CA 2.038 54.123 52.037 0.081 0.000 0.638 573 A CB -1.092 17.980 19.000 0.120 0.000 0.831 573 A HN 0.361 nan 8.150 nan 0.000 0.450 574 L N 0.938 122.197 121.223 0.060 0.000 2.265 574 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 574 L C 2.868 179.765 176.870 0.045 0.000 1.117 574 L CA 2.005 56.913 54.840 0.113 0.000 0.782 574 L CB -0.664 41.407 42.059 0.020 0.000 0.914 574 L HN 0.634 nan 8.230 nan 0.000 0.441 575 S N -1.965 113.648 115.700 -0.146 0.000 2.419 575 S HA -0.221 4.249 4.470 -0.000 0.000 0.233 575 S C 1.865 176.352 174.600 -0.189 0.000 1.016 575 S CA 1.058 59.139 58.200 -0.198 0.000 0.974 575 S CB -0.854 62.184 63.200 -0.271 0.000 0.786 575 S HN 0.592 nan 8.310 nan 0.000 0.492 576 H N -0.454 118.590 119.070 -0.042 0.000 2.489 576 H HA 0.038 4.594 4.556 -0.000 0.000 0.293 576 H C 0.706 175.887 175.328 -0.245 0.000 1.066 576 H CA 1.530 57.472 56.048 -0.177 0.000 1.305 576 H CB -0.227 29.367 29.762 -0.280 0.000 1.386 576 H HN 0.541 nan 8.280 nan 0.000 0.551 577 Y N -0.580 119.742 120.300 0.036 0.000 2.493 577 Y HA 0.226 4.776 4.550 -0.000 0.000 0.275 577 Y C 1.656 177.536 175.900 -0.034 0.000 1.183 577 Y CA 0.151 58.254 58.100 0.006 0.000 1.258 577 Y CB 0.525 38.983 38.460 -0.003 0.000 1.108 577 Y HN 0.278 nan 8.280 nan 0.000 0.521 578 G N 0.277 109.111 108.800 0.057 0.000 2.155 578 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 578 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 578 G C -0.058 174.801 174.900 -0.069 0.000 0.983 578 G CA 0.298 45.389 45.100 -0.015 0.000 0.676 578 G HN 0.162 nan 8.290 nan 0.000 0.528 579 V N 0.273 120.160 119.914 -0.045 0.000 2.644 579 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 579 V C 0.859 176.851 176.094 -0.169 0.000 1.053 579 V CA -0.726 61.501 62.300 -0.122 0.000 0.987 579 V CB 1.940 33.726 31.823 -0.063 0.000 1.006 579 V HN 0.190 nan 8.190 nan 0.000 0.472 580 V N 3.878 123.620 119.914 -0.286 0.000 2.383 580 V HA 0.765 4.885 4.120 -0.000 0.000 0.275 580 V C 0.352 176.392 176.094 -0.091 0.000 1.036 580 V CA -0.102 62.063 62.300 -0.225 0.000 0.889 580 V CB 1.067 32.662 31.823 -0.379 0.000 0.985 580 V HN 1.045 nan 8.190 nan 0.000 0.459 581 A N 3.832 126.624 122.820 -0.047 0.000 2.475 581 A HA 1.046 5.366 4.320 -0.000 0.000 0.301 581 A C -0.075 177.503 177.584 -0.010 0.000 1.059 581 A CA -0.025 52.002 52.037 -0.016 0.000 0.710 581 A CB 2.186 21.168 19.000 -0.029 0.000 1.288 581 A HN 1.386 nan 8.150 nan 0.000 0.408 582 G N -0.333 108.465 108.800 -0.003 0.000 2.356 582 G HA2 0.461 4.421 3.960 -0.000 0.000 0.294 582 G HA3 0.461 4.421 3.960 -0.000 0.000 0.294 582 G C -1.181 173.711 174.900 -0.014 0.000 1.423 582 G CA -0.601 44.493 45.100 -0.010 0.000 0.806 582 G HN 0.939 nan 8.290 nan 0.000 0.527 583 Q N 0.230 120.018 119.800 -0.021 0.000 2.274 583 Q HA 0.435 4.775 4.340 -0.000 0.000 0.280 583 Q C 0.985 176.978 176.000 -0.011 0.000 1.047 583 Q CA 0.340 56.128 55.803 -0.025 0.000 0.907 583 Q CB 0.324 29.049 28.738 -0.022 0.000 1.171 583 Q HN 0.916 nan 8.270 nan 0.000 0.381 584 G N 2.898 111.689 108.800 -0.015 0.000 2.664 584 G HA2 0.026 3.986 3.960 -0.000 0.000 0.242 584 G HA3 0.026 3.986 3.960 -0.000 0.000 0.242 584 G C -0.243 174.654 174.900 -0.006 0.000 1.225 584 G CA -0.323 44.772 45.100 -0.008 0.000 0.849 584 G HN 0.772 nan 8.290 nan 0.000 0.581 585 N N -0.315 118.382 118.700 -0.006 0.000 2.732 585 N HA 0.114 4.854 4.740 -0.000 0.000 0.235 585 N C -0.621 174.884 175.510 -0.008 0.000 1.466 585 N CA -0.615 52.433 53.050 -0.003 0.000 0.751 585 N CB 0.081 38.568 38.487 -0.000 0.000 1.317 585 N HN 0.209 nan 8.380 nan 0.000 0.525 586 I N 2.056 122.621 120.570 -0.008 0.000 2.826 586 I HA -0.042 4.128 4.170 -0.000 0.000 0.295 586 I C 1.463 177.572 176.117 -0.013 0.000 1.213 586 I CA 0.885 62.177 61.300 -0.013 0.000 1.436 586 I CB 0.156 38.151 38.000 -0.008 0.000 1.348 586 I HN 0.519 nan 8.210 nan 0.000 0.570 587 R N 3.942 124.427 120.500 -0.024 0.000 3.946 587 R HA -0.247 4.093 4.340 -0.000 0.000 0.329 587 R C 1.234 177.518 176.300 -0.027 0.000 1.209 587 R CA 0.741 56.822 56.100 -0.032 0.000 0.909 587 R CB -2.046 28.238 30.300 -0.027 0.000 1.355 587 R HN 1.205 nan 8.270 nan 0.000 0.539 588 G N -1.307 107.482 108.800 -0.019 0.000 2.155 588 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.257 588 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.257 588 G C 0.582 175.483 174.900 0.003 0.000 0.983 588 G CA 1.571 46.665 45.100 -0.011 0.000 0.676 588 G HN 0.787 nan 8.290 nan 0.000 0.528 589 T N -4.921 109.638 114.554 0.009 0.000 3.074 589 T HA 0.291 4.641 4.350 -0.000 0.000 0.258 589 T C 1.319 176.034 174.700 0.025 0.000 0.891 589 T CA 0.860 62.974 62.100 0.024 0.000 0.867 589 T CB 0.272 69.164 68.868 0.040 0.000 1.261 589 T HN 0.036 nan 8.240 nan 0.000 0.537 590 E N 1.792 122.003 120.200 0.018 0.000 2.385 590 E HA 0.375 4.725 4.350 -0.000 0.000 0.194 590 E C 1.558 178.167 176.600 0.014 0.000 1.013 590 E CA 0.941 57.352 56.400 0.019 0.000 0.866 590 E CB 0.008 29.718 29.700 0.016 0.000 0.832 590 E HN 0.807 nan 8.360 nan 0.000 0.500 591 G N 2.031 110.838 108.800 0.010 0.000 2.593 591 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.237 591 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.237 591 G C -2.313 172.588 174.900 0.001 0.000 1.312 591 G CA -0.205 44.899 45.100 0.007 0.000 0.896 591 G HN 0.060 nan 8.290 nan 0.000 0.574 592 P HA 0.274 nan 4.420 nan 0.000 0.225 592 P C -0.014 177.282 177.300 -0.007 0.000 1.768 592 P CA 0.452 63.546 63.100 -0.011 0.000 0.943 592 P CB -0.585 31.102 31.700 -0.021 0.000 1.936 593 R N -0.103 120.397 120.500 -0.000 0.000 2.766 593 R HA 0.358 4.698 4.340 -0.000 0.000 0.270 593 R C 0.396 176.700 176.300 0.007 0.000 1.035 593 R CA -0.986 55.117 56.100 0.005 0.000 0.911 593 R CB 0.240 30.547 30.300 0.010 0.000 1.243 593 R HN -0.093 nan 8.270 nan 0.000 0.460 594 N N -0.698 118.008 118.700 0.011 0.000 2.863 594 N HA -0.264 4.476 4.740 -0.000 0.000 0.245 594 N C 0.682 176.196 175.510 0.007 0.000 1.001 594 N CA 0.789 53.846 53.050 0.012 0.000 0.901 594 N CB -0.289 38.207 38.487 0.015 0.000 1.124 594 N HN 0.734 nan 8.380 nan 0.000 0.582 595 A N 0.343 123.164 122.820 0.003 0.000 1.859 595 A HA -0.120 4.199 4.320 -0.000 0.000 0.217 595 A C 2.195 179.779 177.584 -0.000 0.000 1.198 595 A CA 2.254 54.289 52.037 -0.003 0.000 0.629 595 A CB -0.764 18.234 19.000 -0.005 0.000 0.830 595 A HN 0.193 nan 8.150 nan 0.000 0.446 596 V N -0.286 119.632 119.914 0.007 0.000 2.427 596 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 596 V C 3.032 179.134 176.094 0.014 0.000 1.051 596 V CA 1.790 64.097 62.300 0.011 0.000 1.048 596 V CB -1.213 30.622 31.823 0.020 0.000 0.666 596 V HN 0.637 nan 8.190 nan 0.000 0.456 597 A N -0.312 122.519 122.820 0.018 0.000 1.933 597 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 597 A C 2.397 179.989 177.584 0.013 0.000 1.175 597 A CA 2.509 54.560 52.037 0.023 0.000 0.628 597 A CB -0.863 18.153 19.000 0.026 0.000 0.814 597 A HN 0.493 nan 8.150 nan 0.000 0.444 598 T N -0.450 114.105 114.554 0.003 0.000 2.812 598 T HA 0.009 4.359 4.350 -0.000 0.000 0.264 598 T C 1.991 176.676 174.700 -0.025 0.000 1.042 598 T CA 1.306 63.401 62.100 -0.010 0.000 1.140 598 T CB -0.565 68.296 68.868 -0.012 0.000 0.870 598 T HN 0.581 nan 8.240 nan 0.000 0.445 599 G N 1.445 110.231 108.800 -0.022 0.000 2.440 599 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 599 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 599 G C 1.482 176.354 174.900 -0.048 0.000 1.154 599 G CA 0.535 45.615 45.100 -0.033 0.000 0.767 599 G HN 0.439 nan 8.290 nan 0.000 0.552 600 L N -0.193 121.014 121.223 -0.026 0.000 2.093 600 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 600 L C 2.776 179.577 176.870 -0.116 0.000 1.085 600 L CA 0.361 55.183 54.840 -0.030 0.000 0.755 600 L CB -0.342 41.751 42.059 0.056 0.000 0.904 600 L HN 0.183 nan 8.230 nan 0.000 0.435 601 L N -0.209 120.970 121.223 -0.073 0.000 1.994 601 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 601 L C 2.572 179.352 176.870 -0.151 0.000 1.071 601 L CA 1.558 56.342 54.840 -0.092 0.000 0.745 601 L CB -0.181 41.858 42.059 -0.033 0.000 0.892 601 L HN 0.267 nan 8.230 nan 0.000 0.431 602 L N -0.329 120.825 121.223 -0.115 0.000 2.013 602 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 602 L C 2.859 179.631 176.870 -0.164 0.000 1.073 602 L CA 1.449 56.221 54.840 -0.114 0.000 0.753 602 L CB -0.813 41.196 42.059 -0.082 0.000 0.890 602 L HN 0.334 nan 8.230 nan 0.000 0.432 603 A N 0.275 122.977 122.820 -0.196 0.000 1.883 603 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 603 A C 2.386 179.724 177.584 -0.411 0.000 1.186 603 A CA 1.932 53.825 52.037 -0.240 0.000 0.624 603 A CB -1.375 17.502 19.000 -0.206 0.000 0.822 603 A HN 0.471 nan 8.150 nan 0.000 0.444 604 G N -1.138 107.222 108.800 -0.733 0.000 2.448 604 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 604 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 604 G C 1.543 176.199 174.900 -0.405 0.000 1.127 604 G CA 0.918 45.361 45.100 -1.095 0.000 0.766 604 G HN 0.675 nan 8.290 nan 0.000 0.552 605 Q N -0.128 119.516 119.800 -0.259 0.000 2.311 605 Q HA 0.197 4.537 4.340 -0.000 0.000 0.203 605 Q C 2.705 178.638 176.000 -0.112 0.000 0.954 605 Q CA 0.861 56.580 55.803 -0.141 0.000 0.885 605 Q CB 0.007 28.682 28.738 -0.104 0.000 0.963 605 Q HN 0.487 nan 8.270 nan 0.000 0.471 606 A N 0.589 123.333 122.820 -0.126 0.000 2.147 606 A HA 0.002 4.322 4.320 -0.000 0.000 0.211 606 A C 0.915 178.456 177.584 -0.072 0.000 1.160 606 A CA -0.154 51.832 52.037 -0.085 0.000 0.781 606 A CB -0.199 18.753 19.000 -0.080 0.000 0.842 606 A HN 0.286 nan 8.150 nan 0.000 0.475 607 N N 0.000 118.642 118.700 -0.096 0.000 1.763 607 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 607 N CA 0.000 53.026 53.050 -0.040 0.000 0.885 607 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 607 N HN 0.000 nan 8.380 nan 0.000 0.667