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 2j0w_1_A DATA FIRST_RESID 3 DATA SEQUENCE EIVVSKFGGT SVADFDAMNR SADIVLSDAN VRLVVLSASA GITNLLVALA DATA SEQUENCE EGLEPGERFE KLDAIRNIQF AILERLRYPN VIREEIERLL ENITVLAEAA DATA SEQUENCE ALATSPALTD ELVSHGELMS TLLFVEILRE RDVQAQWFDV RKVMRTNDRF DATA SEQUENCE GRAEPDIAAL AELAALQLLP RLNEGLVITQ GFIGSENKGR TTTLGRGGSD DATA SEQUENCE YTAALLAEAL HASRVDIWTD VPGIYTTDPR VVSAAKRIDE IAFAEAAEMA DATA SEQUENCE TFGAKVLHPA TLLPAVRSDI PVFVGSSKDP RAGGTLVCNK TENPPLFRAL DATA SEQUENCE ALRRNQTLLT LHSLNMLHSR GFLAEVFGIL ARHNISVDLI TTSEVSVALT DATA SEQUENCE LDTTGSTSTG DTLLTQSLLM ELSALCRVEV EEGLALVALI GNDLSKACGV DATA SEQUENCE GKEVFGVLEP FNIRMICYGA SSHNLCFLVP GEDAEQVVQK LHSNLFE 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.615 176.600 0.026 0.000 1.382 3 E CA 0.000 56.417 56.400 0.028 0.000 0.976 3 E CB 0.000 29.712 29.700 0.020 0.000 0.812 4 I N 1.921 122.508 120.570 0.028 0.000 2.649 4 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 4 I C -0.556 175.578 176.117 0.028 0.000 1.222 4 I CA -1.224 60.090 61.300 0.024 0.000 1.046 4 I CB 2.256 40.264 38.000 0.012 0.000 1.272 4 I HN 0.022 nan 8.210 nan 0.000 0.425 5 V N 6.524 126.460 119.914 0.037 0.000 2.509 5 V HA 0.387 4.507 4.120 -0.000 0.000 0.284 5 V C -0.055 176.069 176.094 0.051 0.000 1.047 5 V CA -0.557 61.770 62.300 0.045 0.000 0.952 5 V CB 1.994 33.853 31.823 0.059 0.000 0.988 5 V HN 0.392 nan 8.190 nan 0.000 0.469 6 V N 4.214 124.153 119.914 0.041 0.000 2.398 6 V HA 0.446 4.566 4.120 -0.000 0.000 0.286 6 V C 0.140 176.258 176.094 0.040 0.000 1.026 6 V CA -0.194 62.127 62.300 0.035 0.000 0.868 6 V CB 1.798 33.624 31.823 0.006 0.000 0.982 6 V HN 0.904 nan 8.190 nan 0.000 0.443 7 S N 4.749 120.489 115.700 0.067 0.000 2.472 7 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 7 S C -0.472 174.072 174.600 -0.092 0.000 1.099 7 S CA -0.705 57.513 58.200 0.030 0.000 1.077 7 S CB 1.482 64.787 63.200 0.175 0.000 1.031 7 S HN 0.642 nan 8.310 nan 0.000 0.487 8 K N 2.571 122.812 120.400 -0.266 0.000 2.345 8 K HA 0.511 4.831 4.320 -0.000 0.000 0.255 8 K C -1.987 174.361 176.600 -0.420 0.000 0.934 8 K CA -0.521 55.629 56.287 -0.227 0.000 0.801 8 K CB 0.882 33.312 32.500 -0.115 0.000 1.137 8 K HN 0.538 nan 8.250 nan 0.000 0.424 9 F N 1.074 121.055 119.950 0.052 0.000 2.493 9 F HA 0.430 4.957 4.527 -0.000 0.000 0.329 9 F C 1.004 176.801 175.800 -0.005 0.000 1.126 9 F CA -0.586 57.437 58.000 0.038 0.000 0.937 9 F CB 2.077 41.030 39.000 -0.078 0.000 1.146 9 F HN 0.626 nan 8.300 nan 0.000 0.442 10 G N 0.879 109.782 108.800 0.171 0.000 2.525 10 G HA2 0.420 4.380 3.960 -0.000 0.000 0.287 10 G HA3 0.420 4.380 3.960 -0.000 0.000 0.287 10 G C 0.994 175.936 174.900 0.070 0.000 1.350 10 G CA -0.235 44.913 45.100 0.080 0.000 1.039 10 G HN 0.854 nan 8.290 nan 0.000 0.513 11 G N -0.400 108.416 108.800 0.027 0.000 2.628 11 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 11 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 11 G C 2.017 176.938 174.900 0.036 0.000 1.240 11 G CA 3.051 48.163 45.100 0.020 0.000 0.792 11 G HN 1.102 nan 8.290 nan 0.000 0.593 12 T N -1.067 113.509 114.554 0.036 0.000 2.737 12 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 12 T C 2.350 177.085 174.700 0.059 0.000 1.040 12 T CA 2.063 64.188 62.100 0.042 0.000 1.142 12 T CB -0.584 68.307 68.868 0.038 0.000 0.861 12 T HN 0.166 nan 8.240 nan 0.000 0.456 13 S N 0.893 116.648 115.700 0.092 0.000 2.555 13 S HA 0.152 4.622 4.470 -0.000 0.000 0.230 13 S C 1.426 176.045 174.600 0.032 0.000 0.978 13 S CA 0.728 58.997 58.200 0.115 0.000 0.934 13 S CB -0.155 63.215 63.200 0.282 0.000 0.766 13 S HN 0.811 nan 8.310 nan 0.000 0.533 14 V N -3.158 116.772 119.914 0.026 0.000 3.293 14 V HA 0.633 4.753 4.120 -0.000 0.000 0.381 14 V C 1.052 177.170 176.094 0.040 0.000 1.465 14 V CA -0.053 62.250 62.300 0.005 0.000 1.331 14 V CB -0.504 31.298 31.823 -0.035 0.000 1.160 14 V HN 0.152 nan 8.190 nan 0.000 0.565 15 A N 1.759 124.604 122.820 0.042 0.000 1.933 15 A HA 0.171 4.491 4.320 -0.000 0.000 0.218 15 A C 0.967 178.589 177.584 0.064 0.000 1.175 15 A CA 2.195 54.261 52.037 0.048 0.000 0.628 15 A CB -0.409 18.615 19.000 0.040 0.000 0.814 15 A HN 1.010 nan 8.150 nan 0.000 0.444 16 D N -5.662 114.781 120.400 0.071 0.000 2.677 16 D HA 0.321 4.961 4.640 -0.000 0.000 0.298 16 D C 0.420 176.799 176.300 0.132 0.000 1.250 16 D CA -0.648 53.418 54.000 0.109 0.000 0.888 16 D CB -0.210 40.653 40.800 0.105 0.000 1.397 16 D HN -0.071 nan 8.370 nan 0.000 0.461 17 F N 0.852 120.813 119.950 0.019 0.000 2.043 17 F HA -0.291 4.236 4.527 -0.000 0.000 0.297 17 F C 1.613 177.414 175.800 0.002 0.000 1.118 17 F CA 2.294 60.298 58.000 0.007 0.000 1.202 17 F CB -0.075 38.922 39.000 -0.006 0.000 0.965 17 F HN 0.268 nan 8.300 nan 0.000 0.482 18 D N 0.560 120.996 120.400 0.059 0.000 2.108 18 D HA -0.264 4.376 4.640 -0.000 0.000 0.190 18 D C 2.371 178.608 176.300 -0.106 0.000 0.995 18 D CA 1.757 55.726 54.000 -0.052 0.000 0.834 18 D CB -1.022 39.805 40.800 0.045 0.000 0.967 18 D HN 0.421 nan 8.370 nan 0.000 0.446 19 A N 1.014 123.812 122.820 -0.036 0.000 1.903 19 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 19 A C 2.299 179.840 177.584 -0.071 0.000 1.191 19 A CA 2.276 54.293 52.037 -0.033 0.000 0.638 19 A CB -0.807 18.197 19.000 0.007 0.000 0.823 19 A HN 0.225 nan 8.150 nan 0.000 0.451 20 M N -0.502 119.058 119.600 -0.067 0.000 2.108 20 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 20 M C 1.875 178.125 176.300 -0.084 0.000 1.066 20 M CA 1.809 57.101 55.300 -0.014 0.000 1.107 20 M CB -0.286 32.331 32.600 0.029 0.000 1.356 20 M HN 0.462 nan 8.290 nan 0.000 0.406 21 N N -0.069 118.466 118.700 -0.276 0.000 2.080 21 N HA -0.131 4.609 4.740 -0.000 0.000 0.189 21 N C 1.687 177.080 175.510 -0.195 0.000 1.036 21 N CA 1.363 54.222 53.050 -0.318 0.000 0.846 21 N CB -0.341 37.892 38.487 -0.424 0.000 1.015 21 N HN 0.383 nan 8.380 nan 0.000 0.423 22 R N 0.506 120.914 120.500 -0.153 0.000 2.113 22 R HA -0.078 4.262 4.340 -0.000 0.000 0.244 22 R C 2.308 178.515 176.300 -0.155 0.000 1.142 22 R CA 1.716 57.744 56.100 -0.121 0.000 0.953 22 R CB -0.278 29.976 30.300 -0.077 0.000 0.860 22 R HN 0.157 nan 8.270 nan 0.000 0.438 23 S N 0.102 115.685 115.700 -0.194 0.000 2.383 23 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 23 S C 1.968 176.398 174.600 -0.282 0.000 1.026 23 S CA 1.067 59.027 58.200 -0.400 0.000 0.981 23 S CB -0.069 62.629 63.200 -0.837 0.000 0.818 23 S HN 0.500 nan 8.310 nan 0.000 0.472 24 A N 2.104 124.878 122.820 -0.075 0.000 1.930 24 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 24 A C 1.806 179.336 177.584 -0.090 0.000 1.175 24 A CA 1.492 53.495 52.037 -0.056 0.000 0.627 24 A CB -0.585 18.215 19.000 -0.334 0.000 0.815 24 A HN 0.354 nan 8.150 nan 0.000 0.443 25 D N 0.431 120.759 120.400 -0.120 0.000 2.095 25 D HA -0.179 4.461 4.640 -0.000 0.000 0.192 25 D C 1.934 178.185 176.300 -0.080 0.000 0.990 25 D CA 1.556 55.498 54.000 -0.097 0.000 0.836 25 D CB -0.586 40.153 40.800 -0.100 0.000 0.979 25 D HN 0.473 nan 8.370 nan 0.000 0.447 26 I N 1.081 121.575 120.570 -0.128 0.000 2.147 26 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 26 I C 2.485 178.587 176.117 -0.025 0.000 1.059 26 I CA 0.996 62.197 61.300 -0.165 0.000 1.320 26 I CB -0.444 37.303 38.000 -0.420 0.000 1.021 26 I HN -0.082 nan 8.210 nan 0.000 0.415 27 V N 0.883 120.834 119.914 0.062 0.000 2.594 27 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 27 V C 1.814 177.960 176.094 0.087 0.000 1.069 27 V CA 1.378 63.771 62.300 0.155 0.000 1.082 27 V CB -0.495 31.459 31.823 0.218 0.000 0.680 27 V HN 0.423 nan 8.190 nan 0.000 0.469 28 L N 0.382 121.625 121.223 0.032 0.000 2.791 28 L HA 0.171 4.511 4.340 -0.000 0.000 0.239 28 L C 1.774 178.648 176.870 0.007 0.000 1.203 28 L CA 0.538 55.387 54.840 0.015 0.000 1.002 28 L CB -0.056 41.996 42.059 -0.012 0.000 1.295 28 L HN 0.410 nan 8.230 nan 0.000 0.504 29 S N -3.041 112.668 115.700 0.014 0.000 2.512 29 S HA 0.086 4.556 4.470 -0.000 0.000 0.216 29 S C 0.390 175.005 174.600 0.026 0.000 1.006 29 S CA -0.350 57.855 58.200 0.010 0.000 0.915 29 S CB 0.421 63.620 63.200 -0.001 0.000 0.824 29 S HN 0.305 nan 8.310 nan 0.000 0.497 30 D N 0.512 120.937 120.400 0.043 0.000 2.788 30 D HA 0.565 5.205 4.640 -0.000 0.000 0.247 30 D C 0.240 176.569 176.300 0.049 0.000 1.236 30 D CA -0.287 53.741 54.000 0.047 0.000 0.898 30 D CB 2.018 42.860 40.800 0.069 0.000 1.401 30 D HN 0.092 nan 8.370 nan 0.000 0.549 31 A N 3.807 126.648 122.820 0.035 0.000 2.208 31 A HA -0.031 4.289 4.320 -0.000 0.000 0.209 31 A C 1.399 179.004 177.584 0.036 0.000 1.161 31 A CA 0.325 52.382 52.037 0.033 0.000 0.782 31 A CB -0.112 18.901 19.000 0.021 0.000 0.816 31 A HN 0.546 nan 8.150 nan 0.000 0.477 32 N N 0.081 118.805 118.700 0.039 0.000 2.463 32 N HA -0.006 4.734 4.740 -0.000 0.000 0.181 32 N C 0.118 175.659 175.510 0.051 0.000 1.078 32 N CA 0.394 53.467 53.050 0.038 0.000 0.902 32 N CB 0.129 38.636 38.487 0.033 0.000 0.970 32 N HN 0.215 nan 8.380 nan 0.000 0.451 33 V N 2.893 122.849 119.914 0.071 0.000 2.403 33 V HA 0.077 4.197 4.120 -0.000 0.000 0.265 33 V C 1.357 177.498 176.094 0.079 0.000 1.034 33 V CA 0.262 62.619 62.300 0.095 0.000 1.036 33 V CB 0.521 32.428 31.823 0.140 0.000 1.032 33 V HN 0.151 nan 8.190 nan 0.000 0.478 34 R N 3.281 123.816 120.500 0.059 0.000 2.316 34 R HA 0.314 4.654 4.340 -0.000 0.000 0.201 34 R C -0.296 176.025 176.300 0.035 0.000 0.888 34 R CA -0.156 55.967 56.100 0.039 0.000 1.041 34 R CB 0.687 30.995 30.300 0.014 0.000 1.115 34 R HN 0.491 nan 8.270 nan 0.000 0.559 35 L N 1.265 122.515 121.223 0.045 0.000 2.381 35 L HA 0.450 4.790 4.340 -0.000 0.000 0.274 35 L C -1.070 175.850 176.870 0.084 0.000 0.988 35 L CA -0.853 54.009 54.840 0.037 0.000 0.824 35 L CB 2.177 44.232 42.059 -0.007 0.000 1.263 35 L HN -0.296 nan 8.230 nan 0.000 0.410 36 V N 5.250 125.230 119.914 0.109 0.000 2.628 36 V HA 0.652 4.772 4.120 -0.000 0.000 0.306 36 V C -0.610 175.545 176.094 0.102 0.000 1.045 36 V CA -0.752 61.645 62.300 0.162 0.000 0.905 36 V CB 2.041 34.001 31.823 0.228 0.000 0.997 36 V HN 0.493 nan 8.190 nan 0.000 0.436 37 V N 5.791 125.769 119.914 0.105 0.000 2.444 37 V HA 0.525 4.645 4.120 -0.000 0.000 0.294 37 V C -0.407 175.739 176.094 0.087 0.000 1.022 37 V CA -0.377 61.960 62.300 0.062 0.000 0.850 37 V CB 1.615 33.455 31.823 0.027 0.000 0.992 37 V HN 0.630 nan 8.190 nan 0.000 0.426 38 L N 3.290 124.545 121.223 0.053 0.000 2.342 38 L HA 0.648 4.988 4.340 -0.000 0.000 0.271 38 L C 0.299 177.202 176.870 0.056 0.000 1.008 38 L CA -0.239 54.627 54.840 0.044 0.000 0.818 38 L CB 2.313 44.351 42.059 -0.036 0.000 1.296 38 L HN 0.570 nan 8.230 nan 0.000 0.427 39 S N 0.452 116.183 115.700 0.050 0.000 2.738 39 S HA 0.710 5.180 4.470 -0.000 0.000 0.284 39 S C 0.040 174.666 174.600 0.043 0.000 1.146 39 S CA -0.573 57.646 58.200 0.032 0.000 0.997 39 S CB 1.736 64.930 63.200 -0.010 0.000 1.081 39 S HN 0.691 nan 8.310 nan 0.000 0.553 40 A N 0.969 123.811 122.820 0.037 0.000 2.287 40 A HA 0.581 4.901 4.320 -0.000 0.000 0.273 40 A C 0.359 177.966 177.584 0.039 0.000 1.091 40 A CA -0.449 51.623 52.037 0.059 0.000 0.817 40 A CB -0.072 18.971 19.000 0.073 0.000 1.069 40 A HN 0.660 nan 8.150 nan 0.000 0.492 41 S N 0.407 116.139 115.700 0.053 0.000 2.568 41 S HA 0.377 4.847 4.470 -0.000 0.000 0.282 41 S C 0.827 175.446 174.600 0.031 0.000 1.338 41 S CA 0.060 58.288 58.200 0.046 0.000 1.045 41 S CB 0.421 63.658 63.200 0.061 0.000 0.873 41 S HN 1.410 nan 8.310 nan 0.000 0.516 42 A N 1.923 124.758 122.820 0.025 0.000 2.603 42 A HA 0.396 4.716 4.320 -0.000 0.000 0.235 42 A C 1.685 179.278 177.584 0.013 0.000 1.035 42 A CA 0.502 52.547 52.037 0.013 0.000 0.755 42 A CB -1.186 17.823 19.000 0.016 0.000 0.954 42 A HN 1.895 nan 8.150 nan 0.000 0.511 43 G N 1.519 110.321 108.800 0.003 0.000 2.347 43 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.247 43 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.247 43 G C 0.995 175.902 174.900 0.011 0.000 1.037 43 G CA 0.521 45.624 45.100 0.005 0.000 0.622 43 G HN 0.698 nan 8.290 nan 0.000 0.521 44 I N 1.711 122.295 120.570 0.022 0.000 2.091 44 I HA -0.169 4.001 4.170 -0.000 0.000 0.239 44 I C 2.919 179.059 176.117 0.039 0.000 1.061 44 I CA 2.653 63.976 61.300 0.038 0.000 1.317 44 I CB -1.760 36.275 38.000 0.058 0.000 1.031 44 I HN 0.333 nan 8.210 nan 0.000 0.401 45 T N 1.684 116.252 114.554 0.024 0.000 2.720 45 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 45 T C 1.691 176.408 174.700 0.028 0.000 1.037 45 T CA 1.537 63.653 62.100 0.026 0.000 1.144 45 T CB -0.286 68.548 68.868 -0.057 0.000 0.864 45 T HN 0.303 nan 8.240 nan 0.000 0.444 46 N N 1.178 119.883 118.700 0.008 0.000 2.120 46 N HA 0.032 4.772 4.740 -0.000 0.000 0.188 46 N C 1.926 177.446 175.510 0.018 0.000 1.024 46 N CA 0.787 53.843 53.050 0.011 0.000 0.852 46 N CB -0.562 37.925 38.487 0.000 0.000 1.003 46 N HN 0.341 nan 8.380 nan 0.000 0.424 47 L N 0.853 122.086 121.223 0.016 0.000 1.994 47 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 47 L C 2.320 179.203 176.870 0.022 0.000 1.071 47 L CA 0.927 55.775 54.840 0.013 0.000 0.745 47 L CB -0.528 41.536 42.059 0.008 0.000 0.892 47 L HN 0.117 nan 8.230 nan 0.000 0.431 48 L N -0.981 120.265 121.223 0.038 0.000 2.079 48 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 48 L C 2.485 179.386 176.870 0.052 0.000 1.081 48 L CA 0.959 55.829 54.840 0.050 0.000 0.752 48 L CB -0.510 41.601 42.059 0.086 0.000 0.896 48 L HN 0.109 nan 8.230 nan 0.000 0.433 49 V N -0.204 119.745 119.914 0.058 0.000 2.453 49 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 49 V C 2.677 178.794 176.094 0.037 0.000 1.048 49 V CA 1.621 63.956 62.300 0.058 0.000 1.049 49 V CB -0.595 31.266 31.823 0.064 0.000 0.672 49 V HN 0.471 nan 8.190 nan 0.000 0.457 50 A N -0.431 122.405 122.820 0.027 0.000 1.972 50 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 50 A C 2.170 179.763 177.584 0.016 0.000 1.169 50 A CA 1.517 53.565 52.037 0.018 0.000 0.635 50 A CB -0.423 18.584 19.000 0.012 0.000 0.810 50 A HN 0.516 nan 8.150 nan 0.000 0.446 51 L N -1.125 120.107 121.223 0.015 0.000 2.179 51 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 51 L C 2.743 179.618 176.870 0.008 0.000 1.096 51 L CA 0.791 55.637 54.840 0.010 0.000 0.779 51 L CB -0.299 41.762 42.059 0.004 0.000 0.922 51 L HN 0.398 nan 8.230 nan 0.000 0.443 52 A N -0.697 122.132 122.820 0.014 0.000 2.235 52 A HA -0.085 4.235 4.320 -0.000 0.000 0.208 52 A C 1.931 179.521 177.584 0.010 0.000 1.172 52 A CA 0.689 52.732 52.037 0.011 0.000 0.786 52 A CB -0.302 18.712 19.000 0.023 0.000 0.804 52 A HN 0.402 nan 8.150 nan 0.000 0.479 53 E N -0.900 119.307 120.200 0.012 0.000 2.385 53 E HA 0.282 4.632 4.350 -0.000 0.000 0.194 53 E C 0.540 177.144 176.600 0.006 0.000 1.013 53 E CA 0.293 56.700 56.400 0.011 0.000 0.866 53 E CB 0.100 29.808 29.700 0.014 0.000 0.832 53 E HN 0.666 nan 8.360 nan 0.000 0.500 54 G N 1.587 110.390 108.800 0.005 0.000 3.081 54 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.603 54 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.603 54 G C -0.682 174.222 174.900 0.007 0.000 1.106 54 G CA -0.529 44.573 45.100 0.004 0.000 1.001 54 G HN 0.040 nan 8.290 nan 0.000 0.445 55 L N 2.019 123.248 121.223 0.010 0.000 2.342 55 L HA 0.635 4.975 4.340 -0.000 0.000 0.271 55 L C 0.921 177.801 176.870 0.017 0.000 1.008 55 L CA -1.248 53.600 54.840 0.014 0.000 0.818 55 L CB 1.851 43.921 42.059 0.018 0.000 1.296 55 L HN 0.731 nan 8.230 nan 0.000 0.427 56 E N 3.403 123.613 120.200 0.018 0.000 2.408 56 E HA 0.050 4.400 4.350 -0.000 0.000 0.259 56 E C -2.070 174.547 176.600 0.029 0.000 1.110 56 E CA -1.081 55.330 56.400 0.018 0.000 0.929 56 E CB 1.117 30.826 29.700 0.015 0.000 0.971 56 E HN 0.301 nan 8.360 nan 0.000 0.438 57 P HA -0.214 nan 4.420 nan 0.000 0.219 57 P C 1.091 178.431 177.300 0.067 0.000 1.158 57 P CA 2.628 65.746 63.100 0.028 0.000 0.895 57 P CB -0.149 31.551 31.700 -0.001 0.000 0.792 58 G N -0.481 108.355 108.800 0.059 0.000 2.637 58 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.215 58 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.215 58 G C 1.544 176.512 174.900 0.113 0.000 1.289 58 G CA 0.990 46.145 45.100 0.091 0.000 0.816 58 G HN 0.281 nan 8.290 nan 0.000 0.580 59 E N -0.076 120.163 120.200 0.066 0.000 2.147 59 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 59 E C 2.471 179.100 176.600 0.049 0.000 1.005 59 E CA 1.158 57.585 56.400 0.046 0.000 0.810 59 E CB -0.127 29.590 29.700 0.027 0.000 0.736 59 E HN 0.405 nan 8.360 nan 0.000 0.460 60 R N -0.489 120.052 120.500 0.067 0.000 2.080 60 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 60 R C 2.299 178.661 176.300 0.103 0.000 1.137 60 R CA 1.692 57.833 56.100 0.068 0.000 0.943 60 R CB -0.476 29.865 30.300 0.069 0.000 0.846 60 R HN 0.260 nan 8.270 nan 0.000 0.431 61 F N 2.236 122.177 119.950 -0.015 0.000 2.161 61 F HA -0.156 4.371 4.527 0.000 0.000 0.300 61 F C 1.708 177.497 175.800 -0.018 0.000 1.089 61 F CA 1.748 59.737 58.000 -0.018 0.000 1.282 61 F CB -0.139 38.849 39.000 -0.020 0.000 1.010 61 F HN 0.130 nan 8.300 nan 0.000 0.485 62 E N -0.009 120.124 120.200 -0.111 0.000 2.051 62 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 62 E C 2.133 178.616 176.600 -0.195 0.000 0.991 62 E CA 1.266 57.541 56.400 -0.208 0.000 0.799 62 E CB -0.187 29.472 29.700 -0.068 0.000 0.748 62 E HN 0.275 nan 8.360 nan 0.000 0.449 63 K N 0.917 121.256 120.400 -0.102 0.000 2.026 63 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 63 K C 2.282 178.825 176.600 -0.095 0.000 1.048 63 K CA 0.959 57.201 56.287 -0.074 0.000 0.929 63 K CB -0.510 31.973 32.500 -0.029 0.000 0.713 63 K HN 0.211 nan 8.250 nan 0.000 0.439 64 L N 1.134 122.292 121.223 -0.107 0.000 2.131 64 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 64 L C 2.088 178.855 176.870 -0.172 0.000 1.092 64 L CA 1.026 55.809 54.840 -0.095 0.000 0.759 64 L CB -0.355 41.686 42.059 -0.029 0.000 0.903 64 L HN 0.126 nan 8.230 nan 0.000 0.435 65 D N -0.004 120.199 120.400 -0.329 0.000 2.162 65 D HA -0.049 4.591 4.640 -0.000 0.000 0.203 65 D C 2.240 178.421 176.300 -0.198 0.000 0.967 65 D CA 1.259 55.051 54.000 -0.347 0.000 0.840 65 D CB 0.248 40.707 40.800 -0.569 0.000 0.972 65 D HN 0.252 nan 8.370 nan 0.000 0.482 66 A N 0.800 123.524 122.820 -0.160 0.000 1.972 66 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 66 A C 2.332 179.888 177.584 -0.047 0.000 1.169 66 A CA 0.794 52.778 52.037 -0.088 0.000 0.635 66 A CB -0.567 18.392 19.000 -0.069 0.000 0.810 66 A HN 0.206 nan 8.150 nan 0.000 0.446 67 I N -1.091 119.452 120.570 -0.044 0.000 2.202 67 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 67 I C 2.723 178.857 176.117 0.030 0.000 1.091 67 I CA 1.616 62.918 61.300 0.003 0.000 1.368 67 I CB -0.321 37.684 38.000 0.008 0.000 1.058 67 I HN 0.412 nan 8.210 nan 0.000 0.410 68 R N 1.476 121.969 120.500 -0.010 0.000 2.096 68 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 68 R C 1.878 178.204 176.300 0.043 0.000 1.127 68 R CA 1.888 57.995 56.100 0.012 0.000 0.968 68 R CB -0.338 29.877 30.300 -0.143 0.000 0.861 68 R HN 0.446 nan 8.270 nan 0.000 0.440 69 N N 0.456 119.140 118.700 -0.027 0.000 2.007 69 N HA -0.202 4.538 4.740 -0.000 0.000 0.197 69 N C 1.972 177.542 175.510 0.100 0.000 1.050 69 N CA 1.889 54.945 53.050 0.010 0.000 0.856 69 N CB -0.258 38.213 38.487 -0.028 0.000 1.050 69 N HN 0.145 nan 8.380 nan 0.000 0.423 70 I N 1.293 121.907 120.570 0.073 0.000 2.181 70 I HA -0.344 3.826 4.170 -0.000 0.000 0.247 70 I C 2.284 178.475 176.117 0.123 0.000 1.081 70 I CA 1.239 62.590 61.300 0.086 0.000 1.340 70 I CB -0.268 37.771 38.000 0.064 0.000 1.036 70 I HN 0.295 nan 8.210 nan 0.000 0.417 71 Q N -0.412 119.490 119.800 0.169 0.000 2.123 71 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 71 Q C 2.109 178.200 176.000 0.152 0.000 0.966 71 Q CA 1.541 57.446 55.803 0.169 0.000 0.845 71 Q CB -0.358 28.505 28.738 0.208 0.000 0.907 71 Q HN 0.460 nan 8.270 nan 0.000 0.439 72 F N 0.777 120.733 119.950 0.009 0.000 2.456 72 F HA 0.093 4.620 4.527 0.000 0.000 0.298 72 F C 2.220 178.012 175.800 -0.014 0.000 1.104 72 F CA 0.416 58.413 58.000 -0.004 0.000 1.435 72 F CB -0.606 38.387 39.000 -0.012 0.000 1.078 72 F HN 0.019 nan 8.300 nan 0.000 0.546 73 A N 0.306 123.217 122.820 0.153 0.000 1.940 73 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 73 A C 2.236 179.836 177.584 0.028 0.000 1.176 73 A CA 1.824 53.907 52.037 0.076 0.000 0.631 73 A CB -0.925 18.122 19.000 0.078 0.000 0.814 73 A HN 0.389 nan 8.150 nan 0.000 0.446 74 I N -1.540 119.062 120.570 0.053 0.000 2.339 74 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 74 I C 2.331 178.421 176.117 -0.044 0.000 1.096 74 I CA 0.612 61.959 61.300 0.078 0.000 1.408 74 I CB -0.243 37.841 38.000 0.140 0.000 1.092 74 I HN 0.321 nan 8.210 nan 0.000 0.423 75 L N 1.232 122.388 121.223 -0.112 0.000 1.990 75 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 75 L C 2.152 178.895 176.870 -0.211 0.000 1.072 75 L CA 1.990 56.696 54.840 -0.223 0.000 0.755 75 L CB -0.627 41.126 42.059 -0.511 0.000 0.889 75 L HN 0.204 nan 8.230 nan 0.000 0.432 76 E N -0.945 119.152 120.200 -0.172 0.000 2.510 76 E HA -0.133 4.217 4.350 -0.000 0.000 0.202 76 E C 1.401 177.865 176.600 -0.227 0.000 1.072 76 E CA 0.118 56.435 56.400 -0.139 0.000 0.883 76 E CB 0.019 29.691 29.700 -0.047 0.000 0.818 76 E HN 0.435 nan 8.360 nan 0.000 0.548 77 R N -0.252 120.028 120.500 -0.368 0.000 2.404 77 R HA 0.200 4.540 4.340 -0.000 0.000 0.237 77 R C 0.515 176.481 176.300 -0.557 0.000 0.907 77 R CA -0.060 55.654 56.100 -0.644 0.000 1.063 77 R CB 0.432 29.928 30.300 -1.341 0.000 1.134 77 R HN 0.101 nan 8.270 nan 0.000 0.529 78 L N 0.522 121.567 121.223 -0.298 0.000 2.476 78 L HA 0.173 4.513 4.340 -0.000 0.000 0.255 78 L C 2.088 178.874 176.870 -0.141 0.000 1.218 78 L CA 0.037 54.809 54.840 -0.114 0.000 0.819 78 L CB 0.447 42.480 42.059 -0.043 0.000 1.119 78 L HN -0.097 nan 8.230 nan 0.000 0.485 79 R N 0.023 120.454 120.500 -0.114 0.000 2.057 79 R HA -0.010 4.330 4.340 -0.000 0.000 0.224 79 R C -0.112 175.921 176.300 -0.445 0.000 1.136 79 R CA 0.980 56.895 56.100 -0.308 0.000 0.968 79 R CB 0.143 30.244 30.300 -0.333 0.000 0.863 79 R HN 0.521 nan 8.270 nan 0.000 0.433 80 Y N 0.776 121.052 120.300 -0.040 0.000 2.915 80 Y HA 0.328 4.878 4.550 -0.000 0.000 0.350 80 Y C -1.824 174.043 175.900 -0.056 0.000 1.061 80 Y CA -2.346 55.729 58.100 -0.042 0.000 1.179 80 Y CB 1.494 39.934 38.460 -0.033 0.000 1.180 80 Y HN 0.190 nan 8.280 nan 0.000 0.605 81 P HA -0.050 nan 4.420 nan 0.000 0.242 81 P C 0.186 177.463 177.300 -0.037 0.000 1.197 81 P CA 0.776 63.852 63.100 -0.041 0.000 0.765 81 P CB 0.515 32.156 31.700 -0.099 0.000 0.936 82 N N 0.361 119.068 118.700 0.011 0.000 2.135 82 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 82 N C 1.915 177.417 175.510 -0.013 0.000 1.027 82 N CA 0.737 53.789 53.050 0.003 0.000 0.849 82 N CB -1.130 37.374 38.487 0.028 0.000 1.002 82 N HN 0.040 nan 8.380 nan 0.000 0.425 83 V N 3.713 123.620 119.914 -0.010 0.000 2.220 83 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 83 V C 2.339 178.400 176.094 -0.054 0.000 1.049 83 V CA 1.602 63.883 62.300 -0.032 0.000 1.003 83 V CB -0.551 31.249 31.823 -0.038 0.000 0.634 83 V HN 0.349 nan 8.190 nan 0.000 0.444 84 I N -1.241 119.289 120.570 -0.066 0.000 2.700 84 I HA -0.198 3.972 4.170 -0.000 0.000 0.261 84 I C 2.563 178.618 176.117 -0.102 0.000 1.219 84 I CA 1.955 63.199 61.300 -0.093 0.000 1.463 84 I CB -0.840 37.103 38.000 -0.095 0.000 1.092 84 I HN 0.281 nan 8.210 nan 0.000 0.452 85 R N 1.623 122.063 120.500 -0.101 0.000 2.081 85 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 85 R C 2.161 178.444 176.300 -0.028 0.000 1.131 85 R CA 1.747 57.785 56.100 -0.104 0.000 0.960 85 R CB -0.146 30.105 30.300 -0.081 0.000 0.856 85 R HN 0.490 nan 8.270 nan 0.000 0.436 86 E N 0.209 120.395 120.200 -0.024 0.000 2.049 86 E HA -0.244 4.106 4.350 -0.000 0.000 0.198 86 E C 1.940 178.533 176.600 -0.012 0.000 1.007 86 E CA 2.025 58.420 56.400 -0.008 0.000 0.809 86 E CB -0.019 29.669 29.700 -0.020 0.000 0.749 86 E HN 0.487 nan 8.360 nan 0.000 0.450 87 E N 0.357 120.531 120.200 -0.043 0.000 2.031 87 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 87 E C 2.194 178.779 176.600 -0.024 0.000 0.994 87 E CA 0.955 57.319 56.400 -0.059 0.000 0.800 87 E CB -0.100 29.527 29.700 -0.122 0.000 0.752 87 E HN 0.208 nan 8.360 nan 0.000 0.447 88 I N 1.786 122.341 120.570 -0.024 0.000 2.194 88 I HA -0.260 3.910 4.170 -0.000 0.000 0.246 88 I C 2.249 178.419 176.117 0.087 0.000 1.093 88 I CA 1.452 62.768 61.300 0.026 0.000 1.355 88 I CB -1.208 36.788 38.000 -0.007 0.000 1.046 88 I HN 0.137 nan 8.210 nan 0.000 0.413 89 E N 0.529 120.783 120.200 0.091 0.000 2.118 89 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 89 E C 2.302 178.947 176.600 0.075 0.000 0.992 89 E CA 1.086 57.551 56.400 0.109 0.000 0.804 89 E CB -0.224 29.534 29.700 0.097 0.000 0.741 89 E HN 0.335 nan 8.360 nan 0.000 0.458 90 R N 0.629 121.161 120.500 0.052 0.000 2.070 90 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 90 R C 2.611 178.957 176.300 0.076 0.000 1.138 90 R CA 0.791 56.920 56.100 0.048 0.000 0.936 90 R CB -1.138 29.177 30.300 0.026 0.000 0.839 90 R HN 0.175 nan 8.270 nan 0.000 0.429 91 L N 0.228 121.508 121.223 0.095 0.000 1.997 91 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 91 L C 2.399 179.349 176.870 0.133 0.000 1.074 91 L CA 1.561 56.508 54.840 0.179 0.000 0.763 91 L CB -0.752 41.410 42.059 0.172 0.000 0.890 91 L HN 0.175 nan 8.230 nan 0.000 0.434 92 L N -0.427 120.860 121.223 0.107 0.000 2.012 92 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 92 L C 2.709 179.606 176.870 0.045 0.000 1.073 92 L CA 1.420 56.307 54.840 0.079 0.000 0.748 92 L CB -0.490 41.633 42.059 0.105 0.000 0.891 92 L HN 0.309 nan 8.230 nan 0.000 0.431 93 E N 0.613 120.844 120.200 0.051 0.000 2.077 93 E HA -0.250 4.099 4.350 -0.000 0.000 0.193 93 E C 1.898 178.506 176.600 0.013 0.000 0.989 93 E CA 1.582 58.003 56.400 0.034 0.000 0.800 93 E CB -0.246 29.476 29.700 0.037 0.000 0.746 93 E HN 0.328 nan 8.360 nan 0.000 0.452 94 N N -0.147 118.564 118.700 0.018 0.000 2.142 94 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 94 N C 1.991 177.435 175.510 -0.110 0.000 1.023 94 N CA 1.366 54.411 53.050 -0.010 0.000 0.852 94 N CB -0.095 38.434 38.487 0.070 0.000 0.998 94 N HN 0.245 nan 8.380 nan 0.000 0.424 95 I N 0.816 121.286 120.570 -0.167 0.000 2.208 95 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 95 I C 2.122 178.178 176.117 -0.101 0.000 1.097 95 I CA 1.180 62.345 61.300 -0.224 0.000 1.363 95 I CB -0.574 37.341 38.000 -0.141 0.000 1.051 95 I HN 0.178 nan 8.210 nan 0.000 0.413 96 T N 0.636 115.164 114.554 -0.043 0.000 2.652 96 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 96 T C 1.972 176.663 174.700 -0.015 0.000 1.039 96 T CA 1.682 63.778 62.100 -0.008 0.000 1.153 96 T CB -0.427 68.452 68.868 0.020 0.000 0.863 96 T HN 0.147 nan 8.240 nan 0.000 0.428 97 V N 1.642 121.544 119.914 -0.020 0.000 2.407 97 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 97 V C 2.510 178.588 176.094 -0.027 0.000 1.055 97 V CA 1.395 63.685 62.300 -0.017 0.000 1.049 97 V CB -0.913 30.903 31.823 -0.011 0.000 0.662 97 V HN 0.419 nan 8.190 nan 0.000 0.455 98 L N 0.386 121.579 121.223 -0.050 0.000 2.046 98 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 98 L C 2.788 179.633 176.870 -0.041 0.000 1.077 98 L CA 1.559 56.366 54.840 -0.054 0.000 0.747 98 L CB -0.827 41.174 42.059 -0.096 0.000 0.896 98 L HN 0.367 nan 8.230 nan 0.000 0.432 99 A N -0.094 122.703 122.820 -0.039 0.000 1.972 99 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 99 A C 2.259 179.838 177.584 -0.009 0.000 1.169 99 A CA 1.883 53.908 52.037 -0.019 0.000 0.635 99 A CB -0.486 18.509 19.000 -0.009 0.000 0.810 99 A HN 0.526 nan 8.150 nan 0.000 0.446 100 E N -0.137 120.058 120.200 -0.009 0.000 2.150 100 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 100 E C 1.986 178.581 176.600 -0.009 0.000 0.985 100 E CA 0.943 57.340 56.400 -0.005 0.000 0.814 100 E CB -0.239 29.458 29.700 -0.005 0.000 0.752 100 E HN 0.527 nan 8.360 nan 0.000 0.466 101 A N 1.159 123.970 122.820 -0.015 0.000 1.897 101 A HA 0.063 4.383 4.320 -0.000 0.000 0.215 101 A C 2.415 179.989 177.584 -0.017 0.000 1.181 101 A CA 1.321 53.348 52.037 -0.017 0.000 0.620 101 A CB -0.687 18.301 19.000 -0.021 0.000 0.821 101 A HN 0.397 nan 8.150 nan 0.000 0.443 102 A N 0.079 122.889 122.820 -0.017 0.000 1.978 102 A HA 0.119 4.439 4.320 -0.000 0.000 0.220 102 A C 2.357 179.936 177.584 -0.009 0.000 1.170 102 A CA 1.923 53.951 52.037 -0.015 0.000 0.636 102 A CB -0.889 18.104 19.000 -0.012 0.000 0.810 102 A HN 1.109 nan 8.150 nan 0.000 0.448 103 A N -1.099 121.718 122.820 -0.006 0.000 2.178 103 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 103 A C 1.921 179.502 177.584 -0.004 0.000 1.157 103 A CA 1.404 53.440 52.037 -0.002 0.000 0.689 103 A CB -0.340 18.660 19.000 0.000 0.000 0.787 103 A HN 0.508 nan 8.150 nan 0.000 0.465 104 L N -2.738 118.480 121.223 -0.008 0.000 2.526 104 L HA 0.430 4.770 4.340 -0.000 0.000 0.210 104 L C 0.913 177.777 176.870 -0.010 0.000 1.048 104 L CA 0.503 55.338 54.840 -0.008 0.000 0.852 104 L CB 0.093 42.147 42.059 -0.009 0.000 1.128 104 L HN 0.273 nan 8.230 nan 0.000 0.482 105 A N 0.157 122.968 122.820 -0.014 0.000 2.475 105 A HA 0.723 5.043 4.320 -0.000 0.000 0.301 105 A C -0.584 176.986 177.584 -0.022 0.000 1.059 105 A CA -0.250 51.776 52.037 -0.018 0.000 0.710 105 A CB 1.386 20.373 19.000 -0.022 0.000 1.288 105 A HN 0.115 nan 8.150 nan 0.000 0.408 106 T N -1.258 113.282 114.554 -0.023 0.000 2.900 106 T HA 0.875 5.225 4.350 -0.000 0.000 0.303 106 T C -0.430 174.249 174.700 -0.036 0.000 1.142 106 T CA -0.051 62.033 62.100 -0.026 0.000 1.007 106 T CB 1.440 70.300 68.868 -0.014 0.000 1.156 106 T HN 2.195 nan 8.240 nan 0.000 0.490 107 S N 0.575 116.245 115.700 -0.051 0.000 2.567 107 S HA 0.599 5.069 4.470 -0.000 0.000 0.270 107 S C -2.562 171.992 174.600 -0.078 0.000 1.152 107 S CA -1.107 57.053 58.200 -0.066 0.000 0.835 107 S CB 1.486 64.624 63.200 -0.104 0.000 1.115 107 S HN 0.504 nan 8.310 nan 0.000 0.459 108 P HA -0.028 nan 4.420 nan 0.000 0.219 108 P C 1.387 178.612 177.300 -0.125 0.000 1.146 108 P CA 1.754 64.845 63.100 -0.016 0.000 0.808 108 P CB -0.274 31.470 31.700 0.074 0.000 0.779 109 A N -0.270 122.295 122.820 -0.426 0.000 1.930 109 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 109 A C 2.165 179.521 177.584 -0.380 0.000 1.176 109 A CA 0.972 52.479 52.037 -0.884 0.000 0.632 109 A CB -1.401 16.798 19.000 -1.335 0.000 0.819 109 A HN 0.169 nan 8.150 nan 0.000 0.445 110 L N -0.362 120.724 121.223 -0.228 0.000 2.093 110 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 110 L C 2.355 179.193 176.870 -0.053 0.000 1.085 110 L CA 2.676 57.447 54.840 -0.115 0.000 0.755 110 L CB -1.053 40.955 42.059 -0.085 0.000 0.904 110 L HN 0.318 nan 8.230 nan 0.000 0.435 111 T N -0.406 114.124 114.554 -0.039 0.000 2.708 111 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 111 T C 1.482 176.211 174.700 0.049 0.000 1.037 111 T CA 1.691 63.801 62.100 0.017 0.000 1.146 111 T CB -0.321 68.566 68.868 0.031 0.000 0.865 111 T HN 0.362 nan 8.240 nan 0.000 0.435 112 D N 0.399 120.825 120.400 0.043 0.000 2.123 112 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 112 D C 2.218 178.556 176.300 0.063 0.000 0.992 112 D CA 0.989 55.023 54.000 0.058 0.000 0.833 112 D CB -0.244 40.650 40.800 0.157 0.000 0.954 112 D HN 0.368 nan 8.370 nan 0.000 0.455 113 E N 0.293 120.529 120.200 0.060 0.000 2.106 113 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 113 E C 2.042 178.767 176.600 0.209 0.000 0.984 113 E CA 0.591 57.054 56.400 0.104 0.000 0.806 113 E CB -0.360 29.377 29.700 0.062 0.000 0.750 113 E HN 0.323 nan 8.360 nan 0.000 0.458 114 L N -0.555 120.743 121.223 0.126 0.000 2.095 114 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 114 L C 2.093 179.078 176.870 0.191 0.000 1.080 114 L CA 0.777 55.669 54.840 0.087 0.000 0.759 114 L CB -0.098 41.958 42.059 -0.006 0.000 0.914 114 L HN 0.058 nan 8.230 nan 0.000 0.439 115 V N 0.194 120.211 119.914 0.172 0.000 2.626 115 V HA -0.231 3.889 4.120 -0.000 0.000 0.252 115 V C 2.743 179.002 176.094 0.276 0.000 1.067 115 V CA 1.578 64.012 62.300 0.223 0.000 1.081 115 V CB -0.420 31.558 31.823 0.258 0.000 0.686 115 V HN 0.723 nan 8.190 nan 0.000 0.468 116 S N -0.177 115.654 115.700 0.219 0.000 2.400 116 S HA -0.318 4.152 4.470 -0.000 0.000 0.232 116 S C 1.782 176.478 174.600 0.159 0.000 1.025 116 S CA 1.809 60.097 58.200 0.146 0.000 0.993 116 S CB -0.753 62.471 63.200 0.040 0.000 0.808 116 S HN 0.686 nan 8.310 nan 0.000 0.478 117 H N 1.953 121.089 119.070 0.109 0.000 2.466 117 H HA 0.042 4.598 4.556 -0.000 0.000 0.297 117 H C 2.368 177.769 175.328 0.122 0.000 1.113 117 H CA 1.249 57.361 56.048 0.107 0.000 1.273 117 H CB -1.013 28.798 29.762 0.082 0.000 1.371 117 H HN 0.556 nan 8.280 nan 0.000 0.528 118 G N 0.821 109.763 108.800 0.236 0.000 2.453 118 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 118 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 118 G C 1.425 176.424 174.900 0.164 0.000 1.201 118 G CA 0.900 46.108 45.100 0.180 0.000 0.784 118 G HN 0.422 nan 8.290 nan 0.000 0.545 119 E N 0.814 121.122 120.200 0.181 0.000 2.268 119 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 119 E C 2.529 179.244 176.600 0.192 0.000 0.995 119 E CA 0.229 56.730 56.400 0.168 0.000 0.836 119 E CB -0.368 29.440 29.700 0.179 0.000 0.763 119 E HN 0.467 nan 8.360 nan 0.000 0.491 120 L N 0.014 121.349 121.223 0.187 0.000 2.044 120 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 120 L C 2.689 179.694 176.870 0.225 0.000 1.075 120 L CA 1.099 56.089 54.840 0.249 0.000 0.747 120 L CB -0.356 41.777 42.059 0.124 0.000 0.903 120 L HN 0.088 nan 8.230 nan 0.000 0.435 121 M N -0.568 119.124 119.600 0.153 0.000 2.117 121 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 121 M C 2.608 178.991 176.300 0.137 0.000 1.065 121 M CA 2.061 57.431 55.300 0.116 0.000 1.114 121 M CB -0.411 32.257 32.600 0.113 0.000 1.361 121 M HN 0.377 nan 8.290 nan 0.000 0.408 122 S N -0.094 115.699 115.700 0.155 0.000 2.356 122 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 122 S C 1.993 176.720 174.600 0.212 0.000 1.032 122 S CA 1.800 60.092 58.200 0.154 0.000 1.005 122 S CB -1.428 61.842 63.200 0.116 0.000 0.867 122 S HN 0.606 nan 8.310 nan 0.000 0.449 123 T N 0.812 115.530 114.554 0.272 0.000 2.915 123 T HA 0.126 4.476 4.350 -0.000 0.000 0.269 123 T C 1.862 176.862 174.700 0.500 0.000 1.071 123 T CA 1.022 63.352 62.100 0.383 0.000 1.132 123 T CB -0.751 68.347 68.868 0.384 0.000 0.878 123 T HN 0.351 nan 8.240 nan 0.000 0.479 124 L N 0.057 121.481 121.223 0.335 0.000 2.056 124 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 124 L C 2.746 179.672 176.870 0.092 0.000 1.078 124 L CA 1.144 56.014 54.840 0.051 0.000 0.749 124 L CB -0.465 41.487 42.059 -0.178 0.000 0.901 124 L HN 0.288 nan 8.230 nan 0.000 0.433 125 L N -1.751 119.546 121.223 0.123 0.000 2.072 125 L HA -0.222 4.118 4.340 -0.000 0.000 0.205 125 L C 2.545 179.502 176.870 0.145 0.000 1.079 125 L CA 1.056 55.961 54.840 0.108 0.000 0.752 125 L CB -0.608 41.518 42.059 0.112 0.000 0.906 125 L HN 0.129 nan 8.230 nan 0.000 0.436 126 F N 1.157 121.140 119.950 0.056 0.000 2.091 126 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 126 F C 2.509 178.331 175.800 0.036 0.000 1.103 126 F CA 1.944 59.955 58.000 0.019 0.000 1.228 126 F CB -0.377 38.630 39.000 0.012 0.000 0.984 126 F HN -0.049 nan 8.300 nan 0.000 0.477 127 V N -1.758 118.260 119.914 0.173 0.000 2.392 127 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 127 V C 2.166 178.247 176.094 -0.023 0.000 1.059 127 V CA 2.117 64.469 62.300 0.087 0.000 1.051 127 V CB -0.889 31.053 31.823 0.199 0.000 0.658 127 V HN 0.259 nan 8.190 nan 0.000 0.455 128 E N 0.491 120.688 120.200 -0.005 0.000 2.106 128 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 128 E C 2.208 178.778 176.600 -0.051 0.000 0.984 128 E CA 1.677 58.071 56.400 -0.011 0.000 0.806 128 E CB -0.325 29.384 29.700 0.016 0.000 0.750 128 E HN 0.701 nan 8.360 nan 0.000 0.458 129 I N 0.578 121.065 120.570 -0.137 0.000 2.493 129 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 129 I C 2.115 178.053 176.117 -0.300 0.000 1.160 129 I CA 0.612 61.780 61.300 -0.219 0.000 1.445 129 I CB -0.029 37.742 38.000 -0.382 0.000 1.086 129 I HN 0.071 nan 8.210 nan 0.000 0.433 130 L N -0.229 120.784 121.223 -0.350 0.000 2.162 130 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 130 L C 2.458 179.251 176.870 -0.128 0.000 1.086 130 L CA 0.854 55.526 54.840 -0.280 0.000 0.778 130 L CB -0.418 41.472 42.059 -0.282 0.000 0.928 130 L HN 0.123 nan 8.230 nan 0.000 0.446 131 R N 0.028 120.480 120.500 -0.079 0.000 2.236 131 R HA -0.120 4.220 4.340 -0.000 0.000 0.208 131 R C 1.711 178.008 176.300 -0.004 0.000 1.036 131 R CA 0.431 56.514 56.100 -0.029 0.000 1.001 131 R CB 0.012 30.305 30.300 -0.012 0.000 0.896 131 R HN 0.311 nan 8.270 nan 0.000 0.464 132 E N 1.009 121.207 120.200 -0.003 0.000 2.516 132 E HA -0.087 4.263 4.350 -0.000 0.000 0.199 132 E C 0.711 177.319 176.600 0.013 0.000 1.069 132 E CA 0.486 56.910 56.400 0.041 0.000 0.876 132 E CB 0.301 30.032 29.700 0.051 0.000 0.843 132 E HN 0.177 nan 8.360 nan 0.000 0.530 133 R N 0.426 120.913 120.500 -0.023 0.000 2.629 133 R HA 0.099 4.439 4.340 -0.000 0.000 0.386 133 R C -0.817 175.470 176.300 -0.021 0.000 1.071 133 R CA -0.012 56.070 56.100 -0.030 0.000 1.104 133 R CB 0.445 30.706 30.300 -0.064 0.000 1.370 133 R HN 0.035 nan 8.270 nan 0.000 0.574 134 D N 0.803 121.198 120.400 -0.009 0.000 2.956 134 D HA -0.127 4.513 4.640 -0.000 0.000 0.240 134 D C -1.261 175.031 176.300 -0.014 0.000 1.141 134 D CA 0.806 54.803 54.000 -0.007 0.000 0.820 134 D CB -0.507 40.293 40.800 -0.001 0.000 0.988 134 D HN -0.032 nan 8.370 nan 0.000 0.417 135 V N 1.346 121.248 119.914 -0.019 0.000 2.709 135 V HA 0.306 4.426 4.120 -0.000 0.000 0.308 135 V C 0.257 176.347 176.094 -0.006 0.000 1.062 135 V CA -1.028 61.262 62.300 -0.017 0.000 0.901 135 V CB 2.233 34.036 31.823 -0.033 0.000 1.003 135 V HN 0.023 nan 8.190 nan 0.000 0.425 136 Q N 3.189 122.991 119.800 0.003 0.000 2.359 136 Q HA 0.497 4.837 4.340 -0.000 0.000 0.249 136 Q C -0.026 175.989 176.000 0.024 0.000 1.181 136 Q CA 0.168 55.979 55.803 0.013 0.000 0.897 136 Q CB 1.032 29.777 28.738 0.012 0.000 1.424 136 Q HN 0.842 nan 8.270 nan 0.000 0.478 137 A N 4.047 126.887 122.820 0.034 0.000 2.357 137 A HA 0.494 4.814 4.320 -0.000 0.000 0.295 137 A C -0.467 177.174 177.584 0.095 0.000 1.121 137 A CA -0.799 51.274 52.037 0.060 0.000 0.742 137 A CB 0.965 19.992 19.000 0.045 0.000 1.181 137 A HN 0.645 nan 8.150 nan 0.000 0.454 138 Q N 1.567 121.438 119.800 0.118 0.000 2.306 138 Q HA 0.572 4.912 4.340 -0.000 0.000 0.265 138 Q C -0.916 175.236 176.000 0.254 0.000 1.022 138 Q CA -0.711 55.197 55.803 0.174 0.000 0.853 138 Q CB 1.900 30.724 28.738 0.144 0.000 1.327 138 Q HN 0.698 nan 8.270 nan 0.000 0.449 139 W N 2.965 124.334 121.300 0.114 0.000 2.261 139 W HA 0.526 5.186 4.660 -0.000 0.000 0.323 139 W C -1.647 174.996 176.519 0.206 0.000 1.243 139 W CA -0.512 56.914 57.345 0.135 0.000 1.210 139 W CB 0.842 30.352 29.460 0.083 0.000 1.149 139 W HN 0.608 nan 8.180 nan 0.000 0.562 140 F N 6.033 125.581 119.950 -0.671 0.000 2.569 140 F HA 0.205 4.732 4.527 0.000 0.000 0.312 140 F C -0.678 174.498 175.800 -1.040 0.000 1.109 140 F CA -1.136 56.494 58.000 -0.617 0.000 0.919 140 F CB 1.332 40.152 39.000 -0.299 0.000 1.211 140 F HN 0.203 nan 8.300 nan 0.000 0.446 141 D N 4.928 124.388 120.400 -1.568 0.000 2.441 141 D HA 0.164 4.804 4.640 -0.000 0.000 0.221 141 D C 1.423 177.211 176.300 -0.853 0.000 1.156 141 D CA 0.009 53.351 54.000 -1.097 0.000 0.896 141 D CB 1.088 41.501 40.800 -0.646 0.000 1.028 141 D HN 0.462 nan 8.370 nan 0.000 0.509 142 V N 3.372 123.015 119.914 -0.451 0.000 2.439 142 V HA -0.311 3.809 4.120 -0.000 0.000 0.253 142 V C 2.192 178.176 176.094 -0.183 0.000 1.074 142 V CA 1.374 63.566 62.300 -0.179 0.000 1.076 142 V CB -0.850 30.918 31.823 -0.092 0.000 0.664 142 V HN 0.439 nan 8.190 nan 0.000 0.461 143 R N 0.733 121.101 120.500 -0.220 0.000 2.211 143 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 143 R C 2.326 178.540 176.300 -0.143 0.000 1.144 143 R CA 1.714 57.720 56.100 -0.156 0.000 0.992 143 R CB -0.448 29.773 30.300 -0.131 0.000 0.869 143 R HN 0.600 nan 8.270 nan 0.000 0.462 144 K N -0.254 120.018 120.400 -0.213 0.000 2.283 144 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 144 K C 1.616 178.199 176.600 -0.028 0.000 1.048 144 K CA 0.819 57.026 56.287 -0.134 0.000 0.948 144 K CB 0.328 32.704 32.500 -0.207 0.000 0.742 144 K HN 0.034 nan 8.250 nan 0.000 0.458 145 V N -0.035 119.876 119.914 -0.005 0.000 3.219 145 V HA 0.058 4.178 4.120 -0.000 0.000 0.240 145 V C 0.447 176.523 176.094 -0.031 0.000 1.222 145 V CA 0.003 62.319 62.300 0.026 0.000 1.181 145 V CB 0.323 32.210 31.823 0.107 0.000 0.941 145 V HN 0.218 nan 8.190 nan 0.000 0.471 146 M N 2.292 121.858 119.600 -0.058 0.000 3.268 146 M HA 0.230 4.710 4.480 -0.000 0.000 0.249 146 M C 0.199 176.439 176.300 -0.101 0.000 1.527 146 M CA 0.050 55.294 55.300 -0.094 0.000 1.645 146 M CB -0.995 31.538 32.600 -0.113 0.000 1.193 146 M HN 0.134 nan 8.290 nan 0.000 0.534 147 R N 1.729 122.176 120.500 -0.088 0.000 2.389 147 R HA 0.518 4.858 4.340 -0.000 0.000 0.295 147 R C -0.216 176.022 176.300 -0.103 0.000 1.075 147 R CA 0.317 56.365 56.100 -0.086 0.000 1.005 147 R CB 0.533 30.793 30.300 -0.067 0.000 0.987 147 R HN 0.720 nan 8.270 nan 0.000 0.452 148 T N 0.486 114.970 114.554 -0.117 0.000 2.804 148 T HA 0.433 4.783 4.350 -0.000 0.000 0.290 148 T C -0.185 174.430 174.700 -0.142 0.000 1.099 148 T CA -1.046 60.976 62.100 -0.130 0.000 1.011 148 T CB 0.924 69.698 68.868 -0.156 0.000 1.291 148 T HN 0.633 nan 8.240 nan 0.000 0.523 149 N N 0.409 119.021 118.700 -0.146 0.000 2.332 149 N HA 0.189 4.929 4.740 -0.000 0.000 0.282 149 N C 0.193 175.541 175.510 -0.270 0.000 1.288 149 N CA 0.046 53.002 53.050 -0.155 0.000 0.949 149 N CB -0.326 38.091 38.487 -0.118 0.000 1.108 149 N HN 0.834 nan 8.380 nan 0.000 0.542 150 D N -3.288 116.945 120.400 -0.278 0.000 2.388 150 D HA 0.006 4.646 4.640 -0.000 0.000 0.221 150 D C -0.080 175.896 176.300 -0.539 0.000 1.133 150 D CA -0.252 53.460 54.000 -0.480 0.000 0.831 150 D CB -0.350 40.332 40.800 -0.196 0.000 0.962 150 D HN 0.512 nan 8.370 nan 0.000 0.502 151 R N 1.039 121.333 120.500 -0.342 0.000 2.609 151 R HA 0.167 4.507 4.340 -0.000 0.000 0.271 151 R C -0.719 175.466 176.300 -0.192 0.000 1.403 151 R CA -0.517 55.480 56.100 -0.172 0.000 1.138 151 R CB -0.683 29.566 30.300 -0.084 0.000 1.142 151 R HN -0.083 nan 8.270 nan 0.000 0.559 152 F N 2.045 121.987 119.950 -0.014 0.000 2.518 152 F HA 0.194 4.721 4.527 0.000 0.000 0.359 152 F C 1.874 177.670 175.800 -0.008 0.000 1.118 152 F CA 1.576 59.563 58.000 -0.021 0.000 1.287 152 F CB 1.200 40.189 39.000 -0.018 0.000 1.132 152 F HN 0.746 nan 8.300 nan 0.000 0.587 153 G N 2.183 111.082 108.800 0.165 0.000 2.308 153 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.221 153 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.221 153 G C 0.322 175.277 174.900 0.092 0.000 1.032 153 G CA 0.049 45.221 45.100 0.120 0.000 0.623 153 G HN 0.870 nan 8.290 nan 0.000 0.506 154 R N -0.788 119.745 120.500 0.055 0.000 2.714 154 R HA 0.666 5.006 4.340 -0.000 0.000 0.214 154 R C 0.184 176.491 176.300 0.012 0.000 1.474 154 R CA 0.091 56.227 56.100 0.058 0.000 1.435 154 R CB -0.107 30.244 30.300 0.086 0.000 1.517 154 R HN 1.241 nan 8.270 nan 0.000 0.748 155 A N 1.413 124.203 122.820 -0.051 0.000 2.483 155 A HA 0.205 4.525 4.320 -0.000 0.000 0.238 155 A C -0.194 177.367 177.584 -0.037 0.000 1.070 155 A CA 0.118 52.092 52.037 -0.105 0.000 0.770 155 A CB 0.284 19.169 19.000 -0.192 0.000 1.008 155 A HN 0.624 nan 8.150 nan 0.000 0.497 156 E N 2.533 122.707 120.200 -0.043 0.000 2.151 156 E HA 0.356 4.706 4.350 -0.000 0.000 0.275 156 E C -2.524 174.057 176.600 -0.033 0.000 0.936 156 E CA -2.018 54.388 56.400 0.010 0.000 0.777 156 E CB 1.486 31.194 29.700 0.014 0.000 1.108 156 E HN 0.517 nan 8.360 nan 0.000 0.401 157 P HA -0.081 nan 4.420 nan 0.000 0.268 157 P C -0.667 176.593 177.300 -0.066 0.000 1.204 157 P CA 0.076 63.118 63.100 -0.097 0.000 0.768 157 P CB 0.739 32.321 31.700 -0.196 0.000 0.842 158 D N 4.179 124.534 120.400 -0.075 0.000 2.479 158 D HA 0.056 4.696 4.640 -0.000 0.000 0.218 158 D C 1.441 177.707 176.300 -0.058 0.000 1.131 158 D CA -0.524 53.442 54.000 -0.056 0.000 0.916 158 D CB 0.307 41.074 40.800 -0.055 0.000 1.022 158 D HN 0.004 nan 8.370 nan 0.000 0.515 159 I N 3.048 123.589 120.570 -0.049 0.000 2.145 159 I HA -0.306 3.864 4.170 -0.000 0.000 0.244 159 I C 2.409 178.501 176.117 -0.042 0.000 1.075 159 I CA 1.085 62.355 61.300 -0.049 0.000 1.332 159 I CB -1.693 36.288 38.000 -0.033 0.000 1.033 159 I HN 0.398 nan 8.210 nan 0.000 0.410 160 A N 1.061 123.863 122.820 -0.030 0.000 1.865 160 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 160 A C 2.623 180.191 177.584 -0.028 0.000 1.191 160 A CA 2.533 54.556 52.037 -0.023 0.000 0.623 160 A CB -1.075 17.916 19.000 -0.016 0.000 0.826 160 A HN 0.434 nan 8.150 nan 0.000 0.444 161 A N -0.637 122.164 122.820 -0.032 0.000 1.892 161 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 161 A C 2.140 179.700 177.584 -0.039 0.000 1.188 161 A CA 1.911 53.928 52.037 -0.033 0.000 0.631 161 A CB -0.724 18.254 19.000 -0.038 0.000 0.822 161 A HN 0.789 nan 8.150 nan 0.000 0.447 162 L N -0.636 120.555 121.223 -0.053 0.000 2.191 162 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 162 L C 2.537 179.369 176.870 -0.063 0.000 1.103 162 L CA 1.915 56.717 54.840 -0.064 0.000 0.769 162 L CB -0.551 41.455 42.059 -0.090 0.000 0.908 162 L HN 0.366 nan 8.230 nan 0.000 0.438 163 A N -0.753 122.034 122.820 -0.055 0.000 1.855 163 A HA -0.127 4.193 4.320 -0.000 0.000 0.213 163 A C 2.092 179.655 177.584 -0.034 0.000 1.195 163 A CA 1.249 53.253 52.037 -0.054 0.000 0.610 163 A CB -0.504 18.477 19.000 -0.033 0.000 0.837 163 A HN 0.528 nan 8.150 nan 0.000 0.444 164 E N 0.338 120.526 120.200 -0.020 0.000 2.038 164 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 164 E C 1.973 178.567 176.600 -0.011 0.000 1.000 164 E CA 1.413 57.807 56.400 -0.011 0.000 0.803 164 E CB -0.441 29.255 29.700 -0.007 0.000 0.750 164 E HN 0.573 nan 8.360 nan 0.000 0.448 165 L N 0.884 122.100 121.223 -0.011 0.000 1.971 165 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 165 L C 2.702 179.572 176.870 0.001 0.000 1.072 165 L CA 1.289 56.130 54.840 0.002 0.000 0.758 165 L CB -0.730 41.332 42.059 0.005 0.000 0.889 165 L HN 0.184 nan 8.230 nan 0.000 0.433 166 A N -0.122 122.684 122.820 -0.023 0.000 1.948 166 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 166 A C 2.393 179.934 177.584 -0.072 0.000 1.177 166 A CA 2.109 54.112 52.037 -0.056 0.000 0.636 166 A CB -0.724 18.223 19.000 -0.087 0.000 0.815 166 A HN 0.485 nan 8.150 nan 0.000 0.449 167 A N -1.165 121.626 122.820 -0.049 0.000 2.123 167 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 167 A C 1.904 179.473 177.584 -0.025 0.000 1.152 167 A CA 0.916 52.931 52.037 -0.037 0.000 0.728 167 A CB -0.267 18.727 19.000 -0.011 0.000 0.814 167 A HN 0.458 nan 8.150 nan 0.000 0.464 168 L N -1.755 119.459 121.223 -0.014 0.000 2.513 168 L HA 0.074 4.414 4.340 -0.000 0.000 0.222 168 L C 2.151 179.026 176.870 0.007 0.000 1.096 168 L CA 0.520 55.359 54.840 -0.001 0.000 0.857 168 L CB -0.010 42.054 42.059 0.008 0.000 1.026 168 L HN 0.397 nan 8.230 nan 0.000 0.469 169 Q N -1.326 118.479 119.800 0.007 0.000 2.313 169 Q HA 0.104 4.444 4.340 -0.000 0.000 0.263 169 Q C 1.629 177.569 176.000 -0.101 0.000 0.820 169 Q CA 0.104 55.933 55.803 0.044 0.000 0.974 169 Q CB 0.694 29.540 28.738 0.180 0.000 1.156 169 Q HN 0.248 nan 8.270 nan 0.000 0.517 170 L N 0.556 121.644 121.223 -0.225 0.000 2.357 170 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 170 L C 1.839 178.519 176.870 -0.317 0.000 1.075 170 L CA 0.739 55.272 54.840 -0.513 0.000 0.830 170 L CB -0.065 41.701 42.059 -0.489 0.000 0.996 170 L HN 0.118 nan 8.230 nan 0.000 0.467 171 L N 0.730 121.846 121.223 -0.178 0.000 1.976 171 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 171 L C -0.553 176.257 176.870 -0.101 0.000 1.071 171 L CA 2.153 56.922 54.840 -0.118 0.000 0.746 171 L CB -1.736 40.282 42.059 -0.067 0.000 0.890 171 L HN 0.122 nan 8.230 nan 0.000 0.432 172 P HA -0.188 nan 4.420 nan 0.000 0.217 172 P C 1.428 178.687 177.300 -0.069 0.000 1.151 172 P CA 1.478 64.544 63.100 -0.056 0.000 0.849 172 P CB -0.003 31.675 31.700 -0.037 0.000 0.787 173 R N -1.016 119.414 120.500 -0.118 0.000 2.148 173 R HA 0.014 4.354 4.340 -0.000 0.000 0.227 173 R C 2.208 178.446 176.300 -0.104 0.000 1.103 173 R CA 0.985 57.014 56.100 -0.119 0.000 0.983 173 R CB -1.331 28.837 30.300 -0.221 0.000 0.874 173 R HN 0.233 nan 8.270 nan 0.000 0.451 174 L N -0.400 120.751 121.223 -0.120 0.000 2.179 174 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 174 L C 1.467 178.310 176.870 -0.045 0.000 1.096 174 L CA 1.180 55.971 54.840 -0.082 0.000 0.779 174 L CB -0.306 41.699 42.059 -0.090 0.000 0.922 174 L HN 0.318 nan 8.230 nan 0.000 0.443 175 N N -0.209 118.466 118.700 -0.042 0.000 2.106 175 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 175 N C 1.622 177.123 175.510 -0.015 0.000 1.029 175 N CA 1.004 54.040 53.050 -0.023 0.000 0.848 175 N CB 0.050 38.525 38.487 -0.021 0.000 1.007 175 N HN 0.351 nan 8.380 nan 0.000 0.423 176 E N 0.033 120.223 120.200 -0.017 0.000 2.058 176 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 176 E C 1.107 177.706 176.600 -0.002 0.000 0.997 176 E CA 1.049 57.445 56.400 -0.007 0.000 0.801 176 E CB 0.058 29.756 29.700 -0.004 0.000 0.746 176 E HN 0.401 nan 8.360 nan 0.000 0.450 177 G N -0.430 108.367 108.800 -0.005 0.000 2.512 177 G HA2 0.307 4.267 3.960 -0.000 0.000 0.186 177 G HA3 0.307 4.267 3.960 -0.000 0.000 0.186 177 G C -1.784 173.120 174.900 0.007 0.000 1.189 177 G CA -0.910 44.193 45.100 0.005 0.000 0.994 177 G HN 0.018 nan 8.290 nan 0.000 0.506 178 L N 0.557 121.794 121.223 0.023 0.000 2.375 178 L HA 0.739 5.079 4.340 -0.000 0.000 0.271 178 L C -0.215 176.680 176.870 0.041 0.000 1.107 178 L CA -0.439 54.423 54.840 0.038 0.000 0.806 178 L CB 1.656 43.749 42.059 0.057 0.000 1.146 178 L HN 0.326 nan 8.230 nan 0.000 0.447 179 V N 5.320 125.257 119.914 0.040 0.000 2.525 179 V HA 0.451 4.571 4.120 -0.000 0.000 0.299 179 V C -0.621 175.514 176.094 0.069 0.000 1.034 179 V CA -0.695 61.623 62.300 0.030 0.000 0.863 179 V CB 1.767 33.546 31.823 -0.074 0.000 0.999 179 V HN 0.416 nan 8.190 nan 0.000 0.423 180 I N 3.757 124.391 120.570 0.107 0.000 2.378 180 I HA 0.684 4.854 4.170 -0.000 0.000 0.291 180 I C 0.245 176.358 176.117 -0.006 0.000 0.992 180 I CA 0.118 61.491 61.300 0.122 0.000 1.154 180 I CB 1.459 39.615 38.000 0.260 0.000 1.315 180 I HN 0.714 nan 8.210 nan 0.000 0.448 181 T N 5.245 119.784 114.554 -0.025 0.000 2.696 181 T HA 0.546 4.896 4.350 -0.000 0.000 0.291 181 T C -1.343 173.317 174.700 -0.067 0.000 1.095 181 T CA -0.524 61.498 62.100 -0.131 0.000 1.026 181 T CB 1.757 70.617 68.868 -0.013 0.000 1.390 181 T HN 0.577 nan 8.240 nan 0.000 0.513 182 Q N 1.213 120.961 119.800 -0.086 0.000 2.312 182 Q HA 0.637 4.977 4.340 -0.000 0.000 0.263 182 Q C 0.152 176.162 176.000 0.017 0.000 0.995 182 Q CA -0.912 54.889 55.803 -0.003 0.000 0.853 182 Q CB 1.343 30.098 28.738 0.028 0.000 1.300 182 Q HN 0.792 nan 8.270 nan 0.000 0.448 183 G N 0.580 109.417 108.800 0.061 0.000 2.537 183 G HA2 0.462 4.422 3.960 -0.000 0.000 0.297 183 G HA3 0.462 4.422 3.960 -0.000 0.000 0.297 183 G C -0.251 174.767 174.900 0.196 0.000 1.310 183 G CA -0.322 44.822 45.100 0.074 0.000 1.027 183 G HN 0.762 nan 8.290 nan 0.000 0.505 184 F N -1.807 118.112 119.950 -0.050 0.000 2.552 184 F HA -0.242 4.285 4.527 -0.000 0.000 0.588 184 F C 0.411 176.192 175.800 -0.032 0.000 0.507 184 F CA 1.469 59.446 58.000 -0.039 0.000 1.012 184 F CB -1.707 37.287 39.000 -0.010 0.000 1.788 184 F HN 0.658 nan 8.300 nan 0.000 0.260 185 I N -0.350 120.149 120.570 -0.118 0.000 2.750 185 I HA 0.892 5.062 4.170 -0.000 0.000 0.308 185 I C 0.518 176.535 176.117 -0.166 0.000 1.016 185 I CA -0.115 61.042 61.300 -0.238 0.000 1.098 185 I CB 1.715 39.624 38.000 -0.150 0.000 1.279 185 I HN 0.356 nan 8.210 nan 0.000 0.454 186 G N 1.767 110.468 108.800 -0.166 0.000 2.682 186 G HA2 0.642 4.602 3.960 -0.000 0.000 0.303 186 G HA3 0.642 4.602 3.960 -0.000 0.000 0.303 186 G C -1.647 173.187 174.900 -0.109 0.000 1.341 186 G CA -0.373 44.645 45.100 -0.136 0.000 0.784 186 G HN 0.994 nan 8.290 nan 0.000 0.497 187 S N -0.689 114.952 115.700 -0.099 0.000 2.547 187 S HA 0.670 5.140 4.470 -0.000 0.000 0.281 187 S C -0.416 174.132 174.600 -0.086 0.000 1.118 187 S CA -0.585 57.573 58.200 -0.069 0.000 0.947 187 S CB 2.612 65.780 63.200 -0.053 0.000 1.053 187 S HN 0.957 nan 8.310 nan 0.000 0.482 188 E N 2.021 122.172 120.200 -0.083 0.000 2.849 188 E HA 0.237 4.587 4.350 -0.000 0.000 0.257 188 E C 0.296 176.863 176.600 -0.055 0.000 1.306 188 E CA -0.546 55.788 56.400 -0.109 0.000 1.058 188 E CB 0.376 29.967 29.700 -0.182 0.000 1.249 188 E HN 0.645 nan 8.360 nan 0.000 0.638 189 N N 0.204 118.874 118.700 -0.051 0.000 2.069 189 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 189 N C 0.605 176.111 175.510 -0.007 0.000 1.031 189 N CA 1.232 54.266 53.050 -0.028 0.000 0.852 189 N CB -0.035 38.437 38.487 -0.026 0.000 1.018 189 N HN 0.350 nan 8.380 nan 0.000 0.423 190 K N 0.299 120.706 120.400 0.010 0.000 2.911 190 K HA 0.188 4.508 4.320 -0.000 0.000 0.239 190 K C 0.847 177.466 176.600 0.032 0.000 1.090 190 K CA 0.207 56.509 56.287 0.024 0.000 1.225 190 K CB 0.020 32.543 32.500 0.038 0.000 1.087 190 K HN 0.213 nan 8.250 nan 0.000 0.464 191 G N 1.744 110.556 108.800 0.020 0.000 2.257 191 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 191 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 191 G C 0.160 175.084 174.900 0.041 0.000 0.984 191 G CA 0.145 45.257 45.100 0.019 0.000 0.626 191 G HN 0.416 nan 8.290 nan 0.000 0.540 192 R N 1.008 121.559 120.500 0.085 0.000 2.643 192 R HA 0.395 4.735 4.340 -0.000 0.000 0.270 192 R C 0.273 176.669 176.300 0.161 0.000 1.061 192 R CA 0.506 56.695 56.100 0.148 0.000 1.107 192 R CB 0.254 30.720 30.300 0.276 0.000 0.999 192 R HN 0.206 nan 8.270 nan 0.000 0.460 193 T N 2.097 116.743 114.554 0.153 0.000 2.907 193 T HA 0.210 4.560 4.350 -0.000 0.000 0.298 193 T C 0.493 175.313 174.700 0.199 0.000 1.017 193 T CA -0.297 61.867 62.100 0.106 0.000 1.118 193 T CB 1.068 69.969 68.868 0.055 0.000 0.948 193 T HN 0.699 nan 8.240 nan 0.000 0.531 194 T N -0.871 113.703 114.554 0.034 0.000 2.907 194 T HA 0.823 5.173 4.350 -0.000 0.000 0.290 194 T C -0.341 174.252 174.700 -0.178 0.000 1.066 194 T CA -0.988 61.095 62.100 -0.028 0.000 1.012 194 T CB 1.892 70.629 68.868 -0.218 0.000 1.184 194 T HN 0.659 nan 8.240 nan 0.000 0.522 195 T N -0.961 113.443 114.554 -0.251 0.000 2.906 195 T HA 0.562 4.912 4.350 -0.000 0.000 0.295 195 T C 0.650 175.158 174.700 -0.319 0.000 1.061 195 T CA -1.089 60.667 62.100 -0.572 0.000 1.000 195 T CB 1.199 69.460 68.868 -1.011 0.000 1.103 195 T HN 0.519 nan 8.240 nan 0.000 0.486 196 L N 1.179 122.252 121.223 -0.251 0.000 2.591 196 L HA 0.489 4.829 4.340 -0.000 0.000 0.228 196 L C 1.378 178.327 176.870 0.132 0.000 1.133 196 L CA 0.353 55.193 54.840 -0.000 0.000 0.880 196 L CB -0.799 41.293 42.059 0.055 0.000 1.033 196 L HN 1.250 nan 8.230 nan 0.000 0.450 197 G N 0.026 108.980 108.800 0.256 0.000 2.617 197 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 197 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 197 G C -0.784 174.383 174.900 0.446 0.000 1.214 197 G CA -1.246 44.062 45.100 0.347 0.000 0.796 197 G HN -0.014 nan 8.290 nan 0.000 0.654 198 R N 0.389 121.070 120.500 0.302 0.000 2.538 198 R HA 0.344 4.684 4.340 -0.000 0.000 0.273 198 R C 1.822 178.186 176.300 0.106 0.000 0.967 198 R CA 1.173 57.327 56.100 0.089 0.000 1.101 198 R CB -0.456 29.879 30.300 0.058 0.000 0.908 198 R HN 2.551 nan 8.270 nan 0.000 0.411 199 G N 1.254 110.017 108.800 -0.060 0.000 2.189 199 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 199 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 199 G C 1.065 175.968 174.900 0.006 0.000 0.975 199 G CA 0.786 45.902 45.100 0.026 0.000 0.644 199 G HN 0.789 nan 8.290 nan 0.000 0.537 200 G N 0.148 108.923 108.800 -0.042 0.000 2.535 200 G HA2 0.096 4.056 3.960 -0.000 0.000 0.218 200 G HA3 0.096 4.056 3.960 -0.000 0.000 0.218 200 G C 1.718 176.645 174.900 0.044 0.000 1.122 200 G CA 1.767 46.821 45.100 -0.078 0.000 0.769 200 G HN 0.721 nan 8.290 nan 0.000 0.549 201 S N 0.550 116.274 115.700 0.039 0.000 2.419 201 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 201 S C 1.911 176.528 174.600 0.028 0.000 1.016 201 S CA 1.038 59.267 58.200 0.047 0.000 0.974 201 S CB -0.106 63.104 63.200 0.017 0.000 0.786 201 S HN 0.399 nan 8.310 nan 0.000 0.492 202 D N 0.176 120.594 120.400 0.030 0.000 2.103 202 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 202 D C 1.653 178.013 176.300 0.100 0.000 0.978 202 D CA 0.888 54.914 54.000 0.044 0.000 0.829 202 D CB -0.349 40.489 40.800 0.064 0.000 0.981 202 D HN 0.339 nan 8.370 nan 0.000 0.464 203 Y N 2.283 122.533 120.300 -0.085 0.000 2.128 203 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 203 Y C 2.382 178.239 175.900 -0.071 0.000 1.154 203 Y CA 1.329 59.374 58.100 -0.092 0.000 1.149 203 Y CB -0.815 37.514 38.460 -0.217 0.000 0.976 203 Y HN -0.087 nan 8.280 nan 0.000 0.505 204 T N 0.659 115.186 114.554 -0.045 0.000 2.759 204 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 204 T C 2.149 176.799 174.700 -0.083 0.000 1.042 204 T CA 1.574 63.598 62.100 -0.127 0.000 1.140 204 T CB -0.732 68.102 68.868 -0.057 0.000 0.864 204 T HN 0.445 nan 8.240 nan 0.000 0.455 205 A N 1.379 124.182 122.820 -0.029 0.000 1.902 205 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 205 A C 2.652 180.219 177.584 -0.027 0.000 1.181 205 A CA 1.803 53.824 52.037 -0.026 0.000 0.623 205 A CB -1.091 17.895 19.000 -0.022 0.000 0.818 205 A HN 0.510 nan 8.150 nan 0.000 0.443 206 A N -0.284 122.536 122.820 -0.001 0.000 1.898 206 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 206 A C 2.167 179.728 177.584 -0.038 0.000 1.181 206 A CA 1.414 53.455 52.037 0.006 0.000 0.620 206 A CB -0.606 18.435 19.000 0.068 0.000 0.819 206 A HN 0.466 nan 8.150 nan 0.000 0.442 207 L N -0.758 120.406 121.223 -0.099 0.000 1.989 207 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 207 L C 2.488 179.278 176.870 -0.134 0.000 1.071 207 L CA 1.388 56.127 54.840 -0.168 0.000 0.749 207 L CB -0.610 41.250 42.059 -0.331 0.000 0.890 207 L HN 0.350 nan 8.230 nan 0.000 0.431 208 L N -0.713 120.439 121.223 -0.119 0.000 2.217 208 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 208 L C 2.782 179.590 176.870 -0.103 0.000 1.107 208 L CA 0.786 55.562 54.840 -0.108 0.000 0.783 208 L CB -0.725 41.283 42.059 -0.085 0.000 0.919 208 L HN 0.208 nan 8.230 nan 0.000 0.442 209 A N 0.280 123.054 122.820 -0.076 0.000 1.873 209 A HA -0.245 4.075 4.320 -0.000 0.000 0.215 209 A C 2.317 179.857 177.584 -0.074 0.000 1.186 209 A CA 1.810 53.814 52.037 -0.056 0.000 0.616 209 A CB -0.462 18.523 19.000 -0.024 0.000 0.823 209 A HN 0.486 nan 8.150 nan 0.000 0.442 210 E N 0.028 120.183 120.200 -0.076 0.000 2.047 210 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 210 E C 2.049 178.545 176.600 -0.173 0.000 0.987 210 E CA 1.163 57.517 56.400 -0.076 0.000 0.799 210 E CB -0.338 29.328 29.700 -0.057 0.000 0.752 210 E HN 0.465 nan 8.360 nan 0.000 0.449 211 A N 0.830 123.535 122.820 -0.192 0.000 2.019 211 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 211 A C 2.022 179.333 177.584 -0.456 0.000 1.164 211 A CA 1.080 52.960 52.037 -0.262 0.000 0.644 211 A CB -0.355 18.542 19.000 -0.173 0.000 0.805 211 A HN 0.371 nan 8.150 nan 0.000 0.449 212 L N -1.178 119.820 121.223 -0.375 0.000 2.667 212 L HA 0.142 4.482 4.340 -0.000 0.000 0.232 212 L C -0.267 176.422 176.870 -0.301 0.000 1.138 212 L CA -0.343 54.286 54.840 -0.351 0.000 0.921 212 L CB -0.271 41.690 42.059 -0.164 0.000 1.180 212 L HN 0.512 nan 8.230 nan 0.000 0.487 213 H N -0.635 118.424 119.070 -0.019 0.000 2.680 213 H HA -0.126 4.430 4.556 -0.000 0.000 0.328 213 H C 0.450 175.775 175.328 -0.005 0.000 1.139 213 H CA 0.509 56.551 56.048 -0.010 0.000 1.124 213 H CB -1.431 28.325 29.762 -0.010 0.000 1.584 213 H HN 0.423 nan 8.280 nan 0.000 0.410 214 A N 0.710 123.561 122.820 0.052 0.000 2.302 214 A HA 0.490 4.810 4.320 -0.000 0.000 0.285 214 A C 1.324 178.939 177.584 0.052 0.000 1.105 214 A CA 0.042 52.102 52.037 0.040 0.000 0.816 214 A CB 0.605 19.613 19.000 0.013 0.000 1.067 214 A HN 0.410 nan 8.150 nan 0.000 0.489 215 S N 0.128 115.854 115.700 0.044 0.000 2.496 215 S HA 0.175 4.645 4.470 -0.000 0.000 0.224 215 S C 0.747 175.373 174.600 0.044 0.000 0.996 215 S CA 0.696 58.921 58.200 0.043 0.000 0.927 215 S CB -0.109 63.111 63.200 0.032 0.000 0.774 215 S HN 0.797 nan 8.310 nan 0.000 0.524 216 R N -0.588 119.937 120.500 0.042 0.000 2.765 216 R HA 0.462 4.802 4.340 -0.000 0.000 0.277 216 R C -2.578 173.745 176.300 0.038 0.000 1.028 216 R CA -0.418 55.709 56.100 0.045 0.000 0.860 216 R CB 0.851 31.174 30.300 0.038 0.000 1.270 216 R HN 0.032 nan 8.270 nan 0.000 0.484 217 V N 2.073 122.009 119.914 0.037 0.000 2.588 217 V HA 0.422 4.542 4.120 -0.000 0.000 0.304 217 V C -1.202 174.887 176.094 -0.009 0.000 1.042 217 V CA -0.728 61.579 62.300 0.012 0.000 0.877 217 V CB 2.017 33.843 31.823 0.005 0.000 0.996 217 V HN 0.641 nan 8.190 nan 0.000 0.425 218 D N 4.489 124.860 120.400 -0.049 0.000 2.425 218 D HA 0.436 5.076 4.640 -0.000 0.000 0.240 218 D C -0.624 175.435 176.300 -0.402 0.000 1.080 218 D CA -0.299 53.597 54.000 -0.172 0.000 0.836 218 D CB 2.106 42.873 40.800 -0.056 0.000 1.125 218 D HN 0.178 nan 8.370 nan 0.000 0.525 219 I N 2.549 122.817 120.570 -0.504 0.000 2.297 219 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 219 I C -0.258 175.484 176.117 -0.625 0.000 1.033 219 I CA -0.717 60.312 61.300 -0.451 0.000 1.253 219 I CB -0.034 37.783 38.000 -0.305 0.000 1.396 219 I HN 0.192 nan 8.210 nan 0.000 0.476 220 W N 5.963 127.093 121.300 -0.283 0.000 2.291 220 W HA 0.436 5.096 4.660 -0.000 0.000 0.312 220 W C 0.983 177.453 176.519 -0.082 0.000 1.061 220 W CA -0.215 57.018 57.345 -0.187 0.000 1.296 220 W CB 1.439 30.723 29.460 -0.294 0.000 1.223 220 W HN 0.474 nan 8.180 nan 0.000 0.421 221 T N 0.474 115.104 114.554 0.127 0.000 2.688 221 T HA 0.147 4.497 4.350 -0.000 0.000 0.249 221 T C 0.372 175.137 174.700 0.108 0.000 0.944 221 T CA -0.371 61.777 62.100 0.080 0.000 1.058 221 T CB 0.823 69.681 68.868 -0.017 0.000 1.673 221 T HN 0.414 nan 8.240 nan 0.000 0.565 222 D N 0.433 120.860 120.400 0.046 0.000 2.463 222 D HA 0.324 4.964 4.640 -0.000 0.000 0.224 222 D C -0.418 175.883 176.300 0.003 0.000 1.174 222 D CA -0.135 53.888 54.000 0.038 0.000 0.829 222 D CB -0.073 40.736 40.800 0.015 0.000 0.993 222 D HN 0.201 nan 8.370 nan 0.000 0.497 223 V N 1.670 121.583 119.914 -0.002 0.000 2.711 223 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 223 V C -2.495 173.621 176.094 0.037 0.000 1.097 223 V CA -1.648 60.628 62.300 -0.040 0.000 0.906 223 V CB 3.066 34.792 31.823 -0.163 0.000 1.015 223 V HN -0.048 nan 8.190 nan 0.000 0.427 224 P HA 0.278 nan 4.420 nan 0.000 0.259 224 P C 0.408 177.808 177.300 0.166 0.000 1.635 224 P CA 1.305 64.499 63.100 0.156 0.000 1.199 224 P CB 0.116 31.931 31.700 0.191 0.000 1.850 225 G N 3.130 111.927 108.800 -0.004 0.000 2.610 225 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.304 225 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.304 225 G C -0.970 173.967 174.900 0.062 0.000 1.309 225 G CA -0.822 44.231 45.100 -0.079 0.000 0.906 225 G HN 0.376 nan 8.290 nan 0.000 0.521 226 I N 1.035 121.605 120.570 0.001 0.000 2.336 226 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 226 I C -0.037 176.150 176.117 0.116 0.000 0.991 226 I CA -0.699 60.637 61.300 0.060 0.000 1.227 226 I CB 0.980 38.956 38.000 -0.040 0.000 1.366 226 I HN 0.419 nan 8.210 nan 0.000 0.466 227 Y N 2.669 122.912 120.300 -0.096 0.000 2.496 227 Y HA 0.159 4.709 4.550 -0.000 0.000 0.325 227 Y C 1.899 177.729 175.900 -0.118 0.000 1.271 227 Y CA -1.255 56.790 58.100 -0.092 0.000 1.368 227 Y CB 0.696 39.102 38.460 -0.091 0.000 1.415 227 Y HN 0.599 nan 8.280 nan 0.000 0.527 228 T N -3.181 111.375 114.554 0.003 0.000 3.163 228 T HA 0.186 4.536 4.350 -0.000 0.000 0.260 228 T C 0.315 174.920 174.700 -0.157 0.000 1.156 228 T CA 0.929 62.918 62.100 -0.185 0.000 1.072 228 T CB -0.500 68.133 68.868 -0.392 0.000 0.937 228 T HN 0.618 nan 8.240 nan 0.000 0.528 229 T N 0.298 114.809 114.554 -0.071 0.000 2.843 229 T HA 0.100 4.450 4.350 -0.000 0.000 0.324 229 T C -2.212 172.415 174.700 -0.120 0.000 1.860 229 T CA -0.851 61.179 62.100 -0.116 0.000 1.021 229 T CB 0.853 69.608 68.868 -0.190 0.000 1.858 229 T HN 0.172 nan 8.240 nan 0.000 0.521 230 D N 2.529 122.851 120.400 -0.130 0.000 2.570 230 D HA 0.092 4.732 4.640 -0.000 0.000 0.243 230 D C -1.498 174.690 176.300 -0.187 0.000 1.171 230 D CA -0.917 52.993 54.000 -0.149 0.000 0.879 230 D CB 1.493 42.219 40.800 -0.125 0.000 1.143 230 D HN 0.201 nan 8.370 nan 0.000 0.511 231 P HA -0.084 nan 4.420 nan 0.000 0.221 231 P C 0.906 178.099 177.300 -0.179 0.000 1.145 231 P CA 0.937 63.880 63.100 -0.261 0.000 0.795 231 P CB 0.213 31.643 31.700 -0.450 0.000 0.775 232 R N -1.135 119.270 120.500 -0.158 0.000 2.307 232 R HA 0.047 4.387 4.340 -0.000 0.000 0.199 232 R C 1.206 177.446 176.300 -0.099 0.000 1.000 232 R CA 0.733 56.764 56.100 -0.114 0.000 1.023 232 R CB -0.210 30.029 30.300 -0.101 0.000 0.908 232 R HN 0.223 nan 8.270 nan 0.000 0.473 233 V N -1.003 118.842 119.914 -0.116 0.000 3.151 233 V HA 0.105 4.225 4.120 -0.000 0.000 0.241 233 V C 0.633 176.658 176.094 -0.114 0.000 1.173 233 V CA 0.241 62.479 62.300 -0.104 0.000 1.154 233 V CB 0.996 32.753 31.823 -0.109 0.000 0.898 233 V HN -0.152 nan 8.190 nan 0.000 0.473 234 V N 1.486 121.300 119.914 -0.166 0.000 2.284 234 V HA 0.305 4.425 4.120 -0.000 0.000 0.274 234 V C 1.175 177.183 176.094 -0.143 0.000 1.023 234 V CA 0.116 62.295 62.300 -0.201 0.000 0.808 234 V CB 0.842 32.379 31.823 -0.477 0.000 1.035 234 V HN 0.344 nan 8.190 nan 0.000 0.445 235 S N 3.549 119.207 115.700 -0.071 0.000 2.359 235 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 235 S C 1.940 176.547 174.600 0.011 0.000 1.035 235 S CA 1.561 59.743 58.200 -0.030 0.000 1.018 235 S CB -0.131 63.064 63.200 -0.008 0.000 0.876 235 S HN 0.940 nan 8.310 nan 0.000 0.448 236 A N 1.232 124.071 122.820 0.033 0.000 2.250 236 A HA 0.576 4.895 4.320 -0.000 0.000 0.208 236 A C 0.896 178.581 177.584 0.168 0.000 1.254 236 A CA 0.219 52.319 52.037 0.107 0.000 0.858 236 A CB -0.881 18.206 19.000 0.146 0.000 0.820 236 A HN 0.485 nan 8.150 nan 0.000 0.484 237 A N 1.098 123.957 122.820 0.065 0.000 2.520 237 A HA 0.434 4.754 4.320 -0.000 0.000 0.245 237 A C 0.264 178.008 177.584 0.267 0.000 1.072 237 A CA -0.082 52.019 52.037 0.106 0.000 0.761 237 A CB 0.215 19.230 19.000 0.026 0.000 1.004 237 A HN 0.317 nan 8.150 nan 0.000 0.499 238 K N 2.493 123.008 120.400 0.193 0.000 2.143 238 K HA 0.269 4.589 4.320 -0.000 0.000 0.272 238 K C 0.333 176.741 176.600 -0.319 0.000 1.001 238 K CA -0.604 55.681 56.287 -0.003 0.000 0.915 238 K CB 1.161 33.672 32.500 0.018 0.000 1.047 238 K HN 0.800 nan 8.250 nan 0.000 0.458 239 R N 2.335 122.444 120.500 -0.652 0.000 2.582 239 R HA 0.260 4.600 4.340 -0.000 0.000 0.271 239 R C -0.438 175.615 176.300 -0.412 0.000 1.078 239 R CA -0.222 55.285 56.100 -0.988 0.000 1.127 239 R CB 0.379 30.174 30.300 -0.841 0.000 1.038 239 R HN 0.620 nan 8.270 nan 0.000 0.500 240 I N 4.092 124.474 120.570 -0.314 0.000 2.405 240 I HA 0.067 4.237 4.170 -0.000 0.000 0.280 240 I C 0.552 176.598 176.117 -0.119 0.000 1.027 240 I CA -0.523 60.683 61.300 -0.156 0.000 1.161 240 I CB 1.730 39.666 38.000 -0.108 0.000 1.300 240 I HN 0.594 nan 8.210 nan 0.000 0.463 241 D N 4.043 124.391 120.400 -0.087 0.000 2.182 241 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 241 D C 0.659 176.942 176.300 -0.029 0.000 0.986 241 D CA 1.581 55.554 54.000 -0.047 0.000 0.847 241 D CB 0.487 41.271 40.800 -0.027 0.000 0.942 241 D HN 0.597 nan 8.370 nan 0.000 0.467 242 E N -0.576 119.601 120.200 -0.037 0.000 2.335 242 E HA 0.535 4.885 4.350 -0.000 0.000 0.280 242 E C -1.642 174.930 176.600 -0.046 0.000 0.918 242 E CA -0.482 55.895 56.400 -0.038 0.000 0.765 242 E CB 2.139 31.821 29.700 -0.031 0.000 1.218 242 E HN -0.042 nan 8.360 nan 0.000 0.425 243 I N 1.779 122.311 120.570 -0.064 0.000 3.195 243 I HA 0.767 4.937 4.170 -0.000 0.000 0.313 243 I C -1.570 174.481 176.117 -0.110 0.000 1.237 243 I CA -0.712 60.551 61.300 -0.062 0.000 0.963 243 I CB 2.023 39.996 38.000 -0.045 0.000 1.278 243 I HN 0.682 nan 8.210 nan 0.000 0.460 244 A N 2.549 125.310 122.820 -0.098 0.000 2.311 244 A HA 0.540 4.860 4.320 -0.000 0.000 0.334 244 A C 0.171 177.713 177.584 -0.071 0.000 1.139 244 A CA -0.392 51.548 52.037 -0.162 0.000 0.830 244 A CB 0.466 19.408 19.000 -0.095 0.000 1.234 244 A HN 0.656 nan 8.150 nan 0.000 0.483 245 F N 1.210 121.132 119.950 -0.047 0.000 2.037 245 F HA -0.320 4.207 4.527 -0.000 0.000 0.296 245 F C 2.855 178.592 175.800 -0.105 0.000 1.132 245 F CA 2.608 60.570 58.000 -0.062 0.000 1.211 245 F CB -1.350 37.625 39.000 -0.041 0.000 0.951 245 F HN 0.610 nan 8.300 nan 0.000 0.503 246 A N -0.708 122.165 122.820 0.087 0.000 1.940 246 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 246 A C 2.142 179.578 177.584 -0.246 0.000 1.176 246 A CA 1.900 53.870 52.037 -0.112 0.000 0.631 246 A CB -0.924 17.969 19.000 -0.179 0.000 0.814 246 A HN 0.530 nan 8.150 nan 0.000 0.446 247 E N -0.436 119.608 120.200 -0.260 0.000 2.021 247 E HA -0.182 4.168 4.350 -0.000 0.000 0.200 247 E C 2.398 178.957 176.600 -0.067 0.000 1.015 247 E CA 1.258 57.550 56.400 -0.180 0.000 0.824 247 E CB -0.316 29.346 29.700 -0.063 0.000 0.762 247 E HN 0.614 nan 8.360 nan 0.000 0.454 248 A N 1.234 124.033 122.820 -0.035 0.000 1.902 248 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 248 A C 2.388 179.945 177.584 -0.046 0.000 1.181 248 A CA 1.716 53.741 52.037 -0.021 0.000 0.623 248 A CB -0.770 18.232 19.000 0.003 0.000 0.818 248 A HN 0.321 nan 8.150 nan 0.000 0.443 249 A N -0.153 122.639 122.820 -0.046 0.000 1.903 249 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 249 A C 1.947 179.432 177.584 -0.165 0.000 1.191 249 A CA 1.959 53.938 52.037 -0.097 0.000 0.638 249 A CB -0.613 18.335 19.000 -0.086 0.000 0.823 249 A HN 0.652 nan 8.150 nan 0.000 0.451 250 E N -1.170 118.947 120.200 -0.138 0.000 2.208 250 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 250 E C 2.083 178.617 176.600 -0.110 0.000 0.988 250 E CA 0.783 57.076 56.400 -0.178 0.000 0.828 250 E CB -0.171 29.558 29.700 0.048 0.000 0.763 250 E HN 0.679 nan 8.360 nan 0.000 0.478 251 M N 0.209 119.792 119.600 -0.029 0.000 2.099 251 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 251 M C 2.517 178.783 176.300 -0.057 0.000 1.067 251 M CA 1.385 56.692 55.300 0.012 0.000 1.124 251 M CB -0.226 32.373 32.600 -0.002 0.000 1.353 251 M HN 0.120 nan 8.290 nan 0.000 0.410 252 A N 0.015 122.765 122.820 -0.116 0.000 1.858 252 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 252 A C 2.144 179.595 177.584 -0.222 0.000 1.190 252 A CA 2.323 54.269 52.037 -0.151 0.000 0.617 252 A CB -1.298 17.606 19.000 -0.159 0.000 0.827 252 A HN 0.463 nan 8.150 nan 0.000 0.443 253 T N -0.530 113.818 114.554 -0.344 0.000 2.737 253 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 253 T C 1.085 175.498 174.700 -0.477 0.000 1.040 253 T CA 1.631 63.429 62.100 -0.504 0.000 1.142 253 T CB -0.471 67.939 68.868 -0.763 0.000 0.861 253 T HN 0.494 nan 8.240 nan 0.000 0.456 254 F N 0.120 120.023 119.950 -0.077 0.000 2.660 254 F HA 0.439 4.966 4.527 -0.000 0.000 0.302 254 F C 1.786 177.531 175.800 -0.091 0.000 1.103 254 F CA -0.283 57.672 58.000 -0.076 0.000 1.340 254 F CB 0.674 39.638 39.000 -0.061 0.000 1.048 254 F HN 0.302 nan 8.300 nan 0.000 0.551 255 G N -0.063 108.749 108.800 0.020 0.000 2.613 255 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.199 255 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.199 255 G C 0.311 175.183 174.900 -0.046 0.000 0.991 255 G CA -0.326 44.763 45.100 -0.019 0.000 0.756 255 G HN 0.307 nan 8.290 nan 0.000 0.515 256 A N 1.379 124.169 122.820 -0.050 0.000 3.030 256 A HA 0.534 4.854 4.320 -0.000 0.000 0.273 256 A C 1.497 179.036 177.584 -0.076 0.000 1.841 256 A CA 1.368 53.369 52.037 -0.060 0.000 1.479 256 A CB -0.315 18.654 19.000 -0.052 0.000 1.048 256 A HN 0.495 nan 8.150 nan 0.000 0.612 257 K N 0.941 121.296 120.400 -0.074 0.000 2.163 257 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 257 K C 1.626 178.188 176.600 -0.064 0.000 1.048 257 K CA 2.328 58.573 56.287 -0.071 0.000 0.928 257 K CB -0.536 31.925 32.500 -0.065 0.000 0.716 257 K HN 0.669 nan 8.250 nan 0.000 0.459 258 V N -0.352 119.521 119.914 -0.069 0.000 2.527 258 V HA -0.133 3.987 4.120 -0.000 0.000 0.255 258 V C 1.160 177.217 176.094 -0.062 0.000 1.081 258 V CA 1.360 63.619 62.300 -0.070 0.000 1.092 258 V CB -0.815 30.961 31.823 -0.079 0.000 0.673 258 V HN 0.147 nan 8.190 nan 0.000 0.470 259 L N -0.268 120.918 121.223 -0.061 0.000 2.386 259 L HA 0.533 4.873 4.340 -0.000 0.000 0.271 259 L C -0.330 176.514 176.870 -0.043 0.000 0.993 259 L CA -0.955 53.859 54.840 -0.044 0.000 0.819 259 L CB 1.893 43.918 42.059 -0.056 0.000 1.294 259 L HN 0.198 nan 8.230 nan 0.000 0.414 260 H N 4.452 123.472 119.070 -0.083 0.000 2.848 260 H HA 0.093 4.649 4.556 -0.000 0.000 0.341 260 H C -1.862 173.371 175.328 -0.159 0.000 1.060 260 H CA -0.717 55.270 56.048 -0.102 0.000 1.444 260 H CB 1.272 30.991 29.762 -0.071 0.000 1.446 260 H HN 0.262 nan 8.280 nan 0.000 0.583 261 P HA -0.175 nan 4.420 nan 0.000 0.221 261 P C 0.094 177.189 177.300 -0.342 0.000 1.141 261 P CA 1.974 64.816 63.100 -0.430 0.000 0.794 261 P CB 0.256 31.669 31.700 -0.477 0.000 0.764 262 A N -2.459 120.179 122.820 -0.305 0.000 2.390 262 A HA 0.123 4.443 4.320 -0.000 0.000 0.232 262 A C 1.798 179.151 177.584 -0.386 0.000 1.233 262 A CA 0.393 52.158 52.037 -0.452 0.000 0.907 262 A CB -0.902 17.531 19.000 -0.945 0.000 0.967 262 A HN 0.067 nan 8.150 nan 0.000 0.512 263 T N 1.114 115.604 114.554 -0.108 0.000 2.652 263 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 263 T C 1.678 176.383 174.700 0.008 0.000 1.039 263 T CA 1.644 63.774 62.100 0.050 0.000 1.153 263 T CB -0.436 68.457 68.868 0.042 0.000 0.863 263 T HN 0.410 nan 8.240 nan 0.000 0.428 264 L N 0.617 121.797 121.223 -0.072 0.000 2.456 264 L HA 0.033 4.373 4.340 -0.000 0.000 0.224 264 L C 2.364 179.106 176.870 -0.214 0.000 1.148 264 L CA 0.385 55.134 54.840 -0.152 0.000 0.825 264 L CB -0.793 41.185 42.059 -0.134 0.000 0.937 264 L HN 0.247 nan 8.230 nan 0.000 0.450 265 L N 0.190 121.336 121.223 -0.127 0.000 1.989 265 L HA -0.187 4.152 4.340 -0.000 0.000 0.211 265 L C -0.024 176.789 176.870 -0.096 0.000 1.071 265 L CA 1.834 56.613 54.840 -0.102 0.000 0.749 265 L CB -1.646 40.393 42.059 -0.033 0.000 0.890 265 L HN 0.250 nan 8.230 nan 0.000 0.431 266 P HA -0.102 nan 4.420 nan 0.000 0.217 266 P C 1.449 178.671 177.300 -0.130 0.000 1.151 266 P CA 1.500 64.573 63.100 -0.044 0.000 0.828 266 P CB -0.001 31.702 31.700 0.006 0.000 0.788 267 A N -0.334 122.362 122.820 -0.207 0.000 1.873 267 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 267 A C 2.333 179.523 177.584 -0.657 0.000 1.193 267 A CA 2.221 54.041 52.037 -0.362 0.000 0.629 267 A CB -1.799 16.938 19.000 -0.439 0.000 0.826 267 A HN 0.032 nan 8.150 nan 0.000 0.447 268 V N 0.061 119.490 119.914 -0.810 0.000 2.358 268 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 268 V C 2.587 178.540 176.094 -0.235 0.000 1.047 268 V CA 2.133 64.048 62.300 -0.640 0.000 1.035 268 V CB -0.843 30.728 31.823 -0.419 0.000 0.658 268 V HN 0.512 nan 8.190 nan 0.000 0.452 269 R N -0.158 120.242 120.500 -0.167 0.000 2.193 269 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 269 R C 1.687 177.967 176.300 -0.033 0.000 1.110 269 R CA 1.492 57.548 56.100 -0.072 0.000 0.988 269 R CB -0.186 30.083 30.300 -0.051 0.000 0.871 269 R HN 0.413 nan 8.270 nan 0.000 0.458 270 S N -0.408 115.270 115.700 -0.037 0.000 2.819 270 S HA 0.034 4.504 4.470 -0.000 0.000 0.249 270 S C -0.461 174.172 174.600 0.056 0.000 1.030 270 S CA -0.381 57.831 58.200 0.019 0.000 1.052 270 S CB 0.623 63.842 63.200 0.031 0.000 1.017 270 S HN 0.300 nan 8.310 nan 0.000 0.576 271 D N 1.497 121.941 120.400 0.073 0.000 2.708 271 D HA -0.175 4.465 4.640 -0.000 0.000 0.236 271 D C -0.640 175.798 176.300 0.230 0.000 1.146 271 D CA 0.518 54.654 54.000 0.225 0.000 0.662 271 D CB -1.150 39.754 40.800 0.172 0.000 1.059 271 D HN 0.455 nan 8.370 nan 0.000 0.428 272 I N 1.400 122.090 120.570 0.201 0.000 2.282 272 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 272 I C -1.603 174.668 176.117 0.256 0.000 1.090 272 I CA -1.893 59.508 61.300 0.167 0.000 1.231 272 I CB 0.582 38.632 38.000 0.083 0.000 1.434 272 I HN -0.005 nan 8.210 nan 0.000 0.487 273 P HA -0.020 nan 4.420 nan 0.000 0.266 273 P C -0.585 176.799 177.300 0.139 0.000 1.193 273 P CA 0.155 63.351 63.100 0.159 0.000 0.770 273 P CB 1.330 33.057 31.700 0.044 0.000 0.836 274 V N 3.786 123.776 119.914 0.127 0.000 2.588 274 V HA 0.356 4.476 4.120 -0.000 0.000 0.304 274 V C -0.263 175.854 176.094 0.038 0.000 1.042 274 V CA -0.561 61.782 62.300 0.072 0.000 0.877 274 V CB 1.409 33.272 31.823 0.066 0.000 0.996 274 V HN 0.473 nan 8.190 nan 0.000 0.425 275 F N 5.476 125.334 119.950 -0.153 0.000 2.422 275 F HA 0.780 5.307 4.527 -0.000 0.000 0.333 275 F C -0.416 175.180 175.800 -0.340 0.000 1.095 275 F CA -0.639 57.224 58.000 -0.228 0.000 1.038 275 F CB 1.715 40.560 39.000 -0.258 0.000 1.156 275 F HN 0.237 nan 8.300 nan 0.000 0.483 276 V N 5.490 124.493 119.914 -1.518 0.000 2.409 276 V HA 0.790 4.910 4.120 -0.000 0.000 0.290 276 V C 0.004 175.336 176.094 -1.270 0.000 1.017 276 V CA -0.327 61.298 62.300 -1.125 0.000 0.841 276 V CB 0.752 32.254 31.823 -0.536 0.000 1.003 276 V HN 1.070 nan 8.190 nan 0.000 0.426 277 G N 1.954 110.138 108.800 -1.025 0.000 2.694 277 G HA2 0.569 4.529 3.960 -0.000 0.000 0.290 277 G HA3 0.569 4.529 3.960 -0.000 0.000 0.290 277 G C -0.983 173.962 174.900 0.074 0.000 1.386 277 G CA -0.604 44.255 45.100 -0.401 0.000 0.872 277 G HN 0.570 nan 8.290 nan 0.000 0.475 278 S N -1.036 114.830 115.700 0.277 0.000 2.548 278 S HA 0.349 4.819 4.470 -0.000 0.000 0.277 278 S C 1.663 176.553 174.600 0.483 0.000 1.315 278 S CA 0.302 58.686 58.200 0.306 0.000 1.050 278 S CB 0.909 64.230 63.200 0.201 0.000 0.918 278 S HN 1.205 nan 8.310 nan 0.000 0.497 279 S N 3.917 119.839 115.700 0.370 0.000 2.528 279 S HA 0.173 4.643 4.470 -0.000 0.000 0.219 279 S C 0.993 175.657 174.600 0.105 0.000 0.985 279 S CA 0.015 58.364 58.200 0.249 0.000 0.914 279 S CB -0.138 63.235 63.200 0.289 0.000 0.776 279 S HN 0.771 nan 8.310 nan 0.000 0.526 280 K N 0.678 121.149 120.400 0.119 0.000 2.374 280 K HA 0.230 4.550 4.320 -0.000 0.000 0.196 280 K C -0.530 176.116 176.600 0.076 0.000 1.023 280 K CA 0.317 56.646 56.287 0.071 0.000 1.103 280 K CB 0.290 32.827 32.500 0.063 0.000 0.848 280 K HN 0.262 nan 8.250 nan 0.000 0.528 281 D N 0.244 120.714 120.400 0.116 0.000 3.361 281 D HA 0.039 4.679 4.640 -0.000 0.000 0.246 281 D C -2.319 174.091 176.300 0.183 0.000 1.395 281 D CA -0.962 53.110 54.000 0.120 0.000 0.839 281 D CB 0.870 41.735 40.800 0.108 0.000 1.469 281 D HN -0.151 nan 8.370 nan 0.000 0.636 282 P HA -0.020 nan 4.420 nan 0.000 0.247 282 P C 0.497 177.932 177.300 0.225 0.000 1.225 282 P CA 0.229 63.500 63.100 0.285 0.000 0.768 282 P CB -0.061 31.722 31.700 0.137 0.000 1.020 283 R N -2.074 118.519 120.500 0.156 0.000 2.508 283 R HA 0.521 4.861 4.340 -0.000 0.000 0.300 283 R C 1.569 177.938 176.300 0.114 0.000 0.970 283 R CA 0.119 56.289 56.100 0.117 0.000 1.102 283 R CB -0.277 30.069 30.300 0.077 0.000 1.246 283 R HN -0.111 nan 8.270 nan 0.000 0.539 284 A N 1.716 124.619 122.820 0.139 0.000 2.021 284 A HA 0.386 4.706 4.320 -0.000 0.000 0.216 284 A C 1.075 178.737 177.584 0.129 0.000 1.163 284 A CA 0.733 52.842 52.037 0.121 0.000 0.676 284 A CB -0.205 18.873 19.000 0.130 0.000 0.818 284 A HN 0.574 nan 8.150 nan 0.000 0.453 285 G N -2.195 106.717 108.800 0.186 0.000 2.895 285 G HA2 0.415 4.375 3.960 -0.000 0.000 0.686 285 G HA3 0.415 4.375 3.960 -0.000 0.000 0.686 285 G C 0.114 175.146 174.900 0.218 0.000 1.108 285 G CA -0.277 44.953 45.100 0.216 0.000 0.761 285 G HN 1.236 nan 8.290 nan 0.000 0.611 286 G N -0.246 108.773 108.800 0.365 0.000 2.753 286 G HA2 0.897 4.857 3.960 -0.000 0.000 0.285 286 G HA3 0.897 4.857 3.960 -0.000 0.000 0.285 286 G C -0.109 174.781 174.900 -0.016 0.000 1.344 286 G CA 0.230 45.313 45.100 -0.028 0.000 1.050 286 G HN 1.131 nan 8.290 nan 0.000 0.532 287 T N 0.207 114.585 114.554 -0.294 0.000 2.829 287 T HA 0.470 4.820 4.350 -0.000 0.000 0.282 287 T C -0.470 174.152 174.700 -0.129 0.000 0.990 287 T CA -0.127 61.883 62.100 -0.150 0.000 1.028 287 T CB 1.500 70.272 68.868 -0.160 0.000 0.951 287 T HN 0.410 nan 8.240 nan 0.000 0.460 288 L N 3.948 125.187 121.223 0.028 0.000 2.307 288 L HA 0.699 5.039 4.340 -0.000 0.000 0.284 288 L C -1.045 175.804 176.870 -0.036 0.000 1.023 288 L CA -0.651 54.230 54.840 0.068 0.000 0.810 288 L CB 1.015 43.142 42.059 0.114 0.000 1.231 288 L HN 0.385 nan 8.230 nan 0.000 0.423 289 V N 5.017 124.901 119.914 -0.050 0.000 2.370 289 V HA 0.483 4.603 4.120 -0.000 0.000 0.283 289 V C 0.093 176.031 176.094 -0.260 0.000 1.023 289 V CA -0.387 61.848 62.300 -0.108 0.000 0.857 289 V CB 0.810 32.635 31.823 0.004 0.000 0.985 289 V HN 1.052 nan 8.190 nan 0.000 0.443 290 C N 1.977 120.972 119.300 -0.508 0.000 3.307 290 C HA 0.500 4.960 4.460 -0.000 0.000 0.350 290 C C 1.668 175.964 174.990 -1.156 0.000 1.549 290 C CA -0.815 57.747 59.018 -0.760 0.000 1.396 290 C CB 1.146 28.688 27.740 -0.331 0.000 1.970 290 C HN 0.816 nan 8.230 nan 0.000 0.441 291 N N 0.752 118.974 118.700 -0.797 0.000 2.005 291 N HA -0.127 4.613 4.740 -0.000 0.000 0.199 291 N C 0.026 175.396 175.510 -0.233 0.000 1.054 291 N CA 1.411 54.216 53.050 -0.408 0.000 0.864 291 N CB -0.028 38.412 38.487 -0.077 0.000 1.063 291 N HN 0.630 nan 8.380 nan 0.000 0.428 292 K N -0.607 119.698 120.400 -0.158 0.000 2.502 292 K HA 0.223 4.543 4.320 -0.000 0.000 0.257 292 K C -0.846 175.710 176.600 -0.074 0.000 0.938 292 K CA -0.715 55.523 56.287 -0.081 0.000 0.819 292 K CB 2.210 34.697 32.500 -0.022 0.000 1.333 292 K HN 0.116 nan 8.250 nan 0.000 0.434 293 T N -1.475 113.051 114.554 -0.046 0.000 2.891 293 T HA 0.199 4.549 4.350 -0.000 0.000 0.294 293 T C 0.966 175.654 174.700 -0.020 0.000 1.065 293 T CA -0.435 61.643 62.100 -0.036 0.000 0.936 293 T CB 0.808 69.661 68.868 -0.025 0.000 1.415 293 T HN 0.585 nan 8.240 nan 0.000 0.572 294 E N 0.878 121.068 120.200 -0.015 0.000 2.016 294 E HA 0.079 4.429 4.350 -0.000 0.000 0.200 294 E C -0.018 176.578 176.600 -0.005 0.000 0.949 294 E CA 0.657 57.051 56.400 -0.011 0.000 0.879 294 E CB 0.018 29.711 29.700 -0.011 0.000 0.846 294 E HN 0.588 nan 8.360 nan 0.000 0.507 295 N N 1.342 120.039 118.700 -0.004 0.000 2.804 295 N HA 0.295 5.035 4.740 -0.000 0.000 0.251 295 N C -2.620 172.890 175.510 0.000 0.000 1.250 295 N CA -1.068 51.980 53.050 -0.004 0.000 0.820 295 N CB 1.272 39.754 38.487 -0.009 0.000 1.156 295 N HN 0.106 nan 8.380 nan 0.000 0.512 296 P HA 0.066 nan 4.420 nan 0.000 0.260 296 P C -2.075 175.236 177.300 0.018 0.000 1.172 296 P CA -0.233 62.883 63.100 0.027 0.000 0.760 296 P CB 0.092 31.823 31.700 0.051 0.000 0.773 297 P HA -0.033 nan 4.420 nan 0.000 0.273 297 P C 0.659 177.941 177.300 -0.031 0.000 1.258 297 P CA -0.302 62.800 63.100 0.004 0.000 0.802 297 P CB 0.406 32.145 31.700 0.066 0.000 1.040 298 L N -0.795 120.328 121.223 -0.167 0.000 2.354 298 L HA 0.300 4.640 4.340 -0.000 0.000 0.212 298 L C -0.145 176.589 176.870 -0.227 0.000 1.091 298 L CA 1.371 56.003 54.840 -0.347 0.000 0.828 298 L CB -0.093 41.525 42.059 -0.735 0.000 0.973 298 L HN 0.125 nan 8.230 nan 0.000 0.461 299 F N -0.431 119.567 119.950 0.081 0.000 2.577 299 F HA 0.498 5.025 4.527 -0.000 0.000 0.344 299 F C 1.079 177.088 175.800 0.348 0.000 1.145 299 F CA -1.041 57.057 58.000 0.164 0.000 0.996 299 F CB 0.974 39.978 39.000 0.008 0.000 1.248 299 F HN -0.256 nan 8.300 nan 0.000 0.447 300 R N 1.584 122.354 120.500 0.450 0.000 2.064 300 R HA 0.556 4.896 4.340 -0.000 0.000 0.221 300 R C 0.482 176.855 176.300 0.122 0.000 1.136 300 R CA 0.860 57.126 56.100 0.275 0.000 0.980 300 R CB 0.134 30.524 30.300 0.151 0.000 0.876 300 R HN 0.675 nan 8.270 nan 0.000 0.437 301 A N -0.195 122.694 122.820 0.114 0.000 2.493 301 A HA 0.631 4.951 4.320 -0.000 0.000 0.300 301 A C -1.655 175.956 177.584 0.044 0.000 1.152 301 A CA -0.681 51.268 52.037 -0.146 0.000 0.643 301 A CB 0.758 19.673 19.000 -0.141 0.000 1.316 301 A HN 0.070 nan 8.150 nan 0.000 0.469 302 L N -0.310 120.904 121.223 -0.015 0.000 2.362 302 L HA 0.818 5.158 4.340 -0.000 0.000 0.271 302 L C 0.074 176.931 176.870 -0.021 0.000 1.002 302 L CA -0.731 54.123 54.840 0.024 0.000 0.818 302 L CB 2.078 44.178 42.059 0.069 0.000 1.298 302 L HN 1.003 nan 8.230 nan 0.000 0.420 303 A N 2.752 125.555 122.820 -0.028 0.000 2.393 303 A HA 0.809 5.129 4.320 -0.000 0.000 0.306 303 A C -1.556 175.986 177.584 -0.069 0.000 1.050 303 A CA -0.449 51.574 52.037 -0.023 0.000 0.724 303 A CB 1.869 20.902 19.000 0.055 0.000 1.248 303 A HN 0.552 nan 8.150 nan 0.000 0.424 304 L N 1.495 122.674 121.223 -0.074 0.000 2.341 304 L HA 0.773 5.113 4.340 -0.000 0.000 0.278 304 L C -0.123 176.706 176.870 -0.068 0.000 1.005 304 L CA -0.269 54.510 54.840 -0.102 0.000 0.818 304 L CB 1.504 43.497 42.059 -0.110 0.000 1.259 304 L HN 0.729 nan 8.230 nan 0.000 0.418 305 R N 4.570 125.028 120.500 -0.069 0.000 2.422 305 R HA 0.487 4.827 4.340 -0.000 0.000 0.307 305 R C -0.660 175.607 176.300 -0.055 0.000 1.004 305 R CA -0.588 55.487 56.100 -0.041 0.000 0.882 305 R CB 0.855 31.158 30.300 0.005 0.000 1.164 305 R HN 0.699 nan 8.270 nan 0.000 0.489 306 R N 2.178 122.647 120.500 -0.052 0.000 2.577 306 R HA 0.207 4.547 4.340 -0.000 0.000 0.269 306 R C -0.011 176.268 176.300 -0.035 0.000 1.084 306 R CA -0.633 55.437 56.100 -0.049 0.000 1.163 306 R CB 0.544 30.816 30.300 -0.048 0.000 1.100 306 R HN 0.733 nan 8.270 nan 0.000 0.547 307 N N 1.419 120.100 118.700 -0.032 0.000 2.738 307 N HA -0.158 4.581 4.740 -0.000 0.000 0.249 307 N C -0.774 174.725 175.510 -0.018 0.000 1.047 307 N CA 0.900 53.937 53.050 -0.022 0.000 0.707 307 N CB -0.662 37.815 38.487 -0.017 0.000 0.937 307 N HN 0.505 nan 8.380 nan 0.000 0.545 308 Q N 0.127 119.915 119.800 -0.021 0.000 2.260 308 Q HA 0.446 4.786 4.340 -0.000 0.000 0.238 308 Q C 0.446 176.440 176.000 -0.010 0.000 0.948 308 Q CA 0.188 55.982 55.803 -0.015 0.000 0.895 308 Q CB 1.030 29.756 28.738 -0.019 0.000 1.218 308 Q HN 0.165 nan 8.270 nan 0.000 0.470 309 T N 1.710 116.259 114.554 -0.008 0.000 2.824 309 T HA 0.422 4.772 4.350 -0.000 0.000 0.282 309 T C -0.674 174.022 174.700 -0.007 0.000 0.993 309 T CA -0.589 61.507 62.100 -0.007 0.000 0.967 309 T CB 0.912 69.775 68.868 -0.009 0.000 0.960 309 T HN 0.297 nan 8.240 nan 0.000 0.441 310 L N 4.549 125.771 121.223 -0.002 0.000 2.272 310 L HA 0.564 4.904 4.340 -0.000 0.000 0.284 310 L C -0.928 175.937 176.870 -0.008 0.000 1.045 310 L CA -0.790 54.050 54.840 -0.001 0.000 0.842 310 L CB 0.530 42.596 42.059 0.012 0.000 1.224 310 L HN 0.533 nan 8.230 nan 0.000 0.430 311 L N 5.221 126.428 121.223 -0.025 0.000 2.315 311 L HA 0.449 4.789 4.340 -0.000 0.000 0.278 311 L C -0.172 176.665 176.870 -0.055 0.000 1.088 311 L CA 0.385 55.202 54.840 -0.039 0.000 0.899 311 L CB 0.540 42.563 42.059 -0.060 0.000 1.277 311 L HN 0.616 nan 8.230 nan 0.000 0.431 312 T N 6.150 120.675 114.554 -0.049 0.000 2.780 312 T HA 0.459 4.809 4.350 -0.000 0.000 0.294 312 T C -0.051 174.550 174.700 -0.165 0.000 0.949 312 T CA -0.117 61.916 62.100 -0.111 0.000 1.074 312 T CB 0.466 69.285 68.868 -0.082 0.000 0.910 312 T HN 0.356 nan 8.240 nan 0.000 0.501 313 L N 5.050 126.150 121.223 -0.205 0.000 2.305 313 L HA 0.455 4.795 4.340 -0.000 0.000 0.284 313 L C 0.141 176.939 176.870 -0.120 0.000 1.013 313 L CA -0.909 53.870 54.840 -0.103 0.000 0.819 313 L CB 0.951 42.998 42.059 -0.021 0.000 1.227 313 L HN 0.592 nan 8.230 nan 0.000 0.417 314 H N 1.058 120.232 119.070 0.172 0.000 2.567 314 H HA 0.403 4.959 4.556 -0.000 0.000 0.345 314 H C -0.231 175.180 175.328 0.138 0.000 1.169 314 H CA -0.619 55.502 56.048 0.121 0.000 1.227 314 H CB 2.275 32.066 29.762 0.048 0.000 1.607 314 H HN 0.543 nan 8.280 nan 0.000 0.534 315 S N 1.197 116.888 115.700 -0.015 0.000 2.541 315 S HA 0.255 4.725 4.470 -0.000 0.000 0.283 315 S C 0.797 175.353 174.600 -0.073 0.000 1.196 315 S CA -0.910 57.149 58.200 -0.235 0.000 1.062 315 S CB 0.779 63.230 63.200 -1.249 0.000 1.009 315 S HN 0.541 nan 8.310 nan 0.000 0.502 316 L N 2.422 123.661 121.223 0.026 0.000 2.718 316 L HA 0.212 4.552 4.340 -0.000 0.000 0.242 316 L C 1.305 178.167 176.870 -0.013 0.000 1.203 316 L CA -0.049 54.805 54.840 0.023 0.000 1.011 316 L CB -1.151 40.944 42.059 0.059 0.000 1.250 316 L HN 0.972 nan 8.230 nan 0.000 0.437 317 N N 2.000 120.650 118.700 -0.085 0.000 2.688 317 N HA -0.230 4.510 4.740 -0.000 0.000 0.258 317 N C 0.680 176.173 175.510 -0.029 0.000 1.016 317 N CA 0.971 53.966 53.050 -0.092 0.000 0.747 317 N CB -0.388 38.056 38.487 -0.071 0.000 0.895 317 N HN 0.616 nan 8.380 nan 0.000 0.543 318 M N -1.728 117.879 119.600 0.012 0.000 2.300 318 M HA 0.320 4.800 4.480 -0.000 0.000 0.313 318 M C -0.503 175.832 176.300 0.059 0.000 0.988 318 M CA -0.018 55.304 55.300 0.037 0.000 1.012 318 M CB 0.563 33.193 32.600 0.050 0.000 1.586 318 M HN -0.010 nan 8.290 nan 0.000 0.562 319 L N 0.911 122.196 121.223 0.104 0.000 2.359 319 L HA 0.539 4.879 4.340 -0.000 0.000 0.256 319 L C -0.420 176.581 176.870 0.218 0.000 1.026 319 L CA -1.256 53.672 54.840 0.146 0.000 0.828 319 L CB 1.959 44.154 42.059 0.228 0.000 1.406 319 L HN 0.261 nan 8.230 nan 0.000 0.413 320 H N -1.262 117.859 119.070 0.085 0.000 2.683 320 H HA 0.144 4.700 4.556 -0.000 0.000 0.339 320 H C 1.049 176.451 175.328 0.123 0.000 1.081 320 H CA -0.134 55.955 56.048 0.069 0.000 1.432 320 H CB 1.267 31.056 29.762 0.045 0.000 1.462 320 H HN 0.745 nan 8.280 nan 0.000 0.557 321 S N 3.938 119.730 115.700 0.154 0.000 2.408 321 S HA -0.401 4.069 4.470 -0.000 0.000 0.241 321 S C 1.964 176.601 174.600 0.062 0.000 1.080 321 S CA 1.597 59.886 58.200 0.149 0.000 1.109 321 S CB -0.362 62.875 63.200 0.061 0.000 0.966 321 S HN 0.800 nan 8.310 nan 0.000 0.449 322 R N 1.789 122.175 120.500 -0.189 0.000 2.112 322 R HA -0.066 4.273 4.340 -0.000 0.000 0.242 322 R C 2.689 178.917 176.300 -0.121 0.000 1.137 322 R CA 1.926 57.862 56.100 -0.273 0.000 0.944 322 R CB -2.105 27.844 30.300 -0.584 0.000 0.857 322 R HN 0.623 nan 8.270 nan 0.000 0.435 323 G N 0.340 109.139 108.800 -0.002 0.000 2.395 323 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.214 323 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.214 323 G C 1.361 176.365 174.900 0.173 0.000 1.177 323 G CA 0.244 45.452 45.100 0.180 0.000 0.794 323 G HN 0.278 nan 8.290 nan 0.000 0.532 324 F N 1.350 121.376 119.950 0.125 0.000 2.176 324 F HA -0.146 4.381 4.527 -0.000 0.000 0.301 324 F C 2.099 177.973 175.800 0.123 0.000 1.071 324 F CA 1.377 59.443 58.000 0.109 0.000 1.289 324 F CB -0.021 39.035 39.000 0.094 0.000 1.028 324 F HN 0.071 nan 8.300 nan 0.000 0.494 325 L N -0.930 120.296 121.223 0.005 0.000 2.187 325 L HA 0.081 4.421 4.340 -0.000 0.000 0.197 325 L C 2.795 179.668 176.870 0.005 0.000 1.090 325 L CA 0.796 55.618 54.840 -0.029 0.000 0.781 325 L CB -1.450 40.550 42.059 -0.097 0.000 0.956 325 L HN 0.039 nan 8.230 nan 0.000 0.463 326 A N 0.125 122.905 122.820 -0.066 0.000 2.054 326 A HA -0.306 4.014 4.320 -0.000 0.000 0.223 326 A C 2.092 179.709 177.584 0.054 0.000 1.169 326 A CA 2.422 54.438 52.037 -0.035 0.000 0.655 326 A CB -0.493 18.493 19.000 -0.024 0.000 0.812 326 A HN 0.472 nan 8.150 nan 0.000 0.462 327 E N -0.567 119.663 120.200 0.051 0.000 2.030 327 E HA -0.023 4.327 4.350 -0.000 0.000 0.189 327 E C 1.870 178.486 176.600 0.027 0.000 0.974 327 E CA 1.129 57.552 56.400 0.040 0.000 0.807 327 E CB -0.628 29.087 29.700 0.025 0.000 0.771 327 E HN 0.142 nan 8.360 nan 0.000 0.451 328 V N 0.689 120.575 119.914 -0.047 0.000 2.313 328 V HA -0.289 3.831 4.120 -0.000 0.000 0.253 328 V C 1.966 178.007 176.094 -0.089 0.000 1.070 328 V CA 2.099 64.317 62.300 -0.137 0.000 1.057 328 V CB -0.635 31.018 31.823 -0.283 0.000 0.653 328 V HN 0.281 nan 8.190 nan 0.000 0.450 329 F N 0.462 120.340 119.950 -0.119 0.000 2.802 329 F HA 0.223 4.750 4.527 -0.000 0.000 0.300 329 F C 1.942 177.718 175.800 -0.039 0.000 1.168 329 F CA 0.744 58.701 58.000 -0.071 0.000 1.433 329 F CB -0.651 38.314 39.000 -0.058 0.000 1.115 329 F HN 0.189 nan 8.300 nan 0.000 0.582 330 G N -0.870 107.999 108.800 0.116 0.000 3.393 330 G HA2 0.246 4.206 3.960 -0.000 0.000 0.255 330 G HA3 0.246 4.206 3.960 -0.000 0.000 0.255 330 G C 1.219 176.153 174.900 0.057 0.000 1.097 330 G CA 0.036 45.183 45.100 0.078 0.000 0.780 330 G HN 0.349 nan 8.290 nan 0.000 0.540 331 I N -0.488 120.098 120.570 0.026 0.000 3.718 331 I HA 0.167 4.337 4.170 -0.000 0.000 0.297 331 I C 2.003 178.156 176.117 0.059 0.000 1.220 331 I CA 0.230 61.555 61.300 0.043 0.000 1.381 331 I CB 0.208 38.177 38.000 -0.052 0.000 1.238 331 I HN 0.028 nan 8.210 nan 0.000 0.448 332 L N 1.066 122.264 121.223 -0.042 0.000 2.395 332 L HA 0.066 4.406 4.340 -0.000 0.000 0.218 332 L C 2.612 179.498 176.870 0.028 0.000 1.130 332 L CA 0.660 55.469 54.840 -0.051 0.000 0.826 332 L CB -0.587 41.380 42.059 -0.154 0.000 0.941 332 L HN 0.180 nan 8.230 nan 0.000 0.451 333 A N 0.433 123.281 122.820 0.048 0.000 2.016 333 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 333 A C 2.410 180.029 177.584 0.059 0.000 1.162 333 A CA 0.711 52.780 52.037 0.054 0.000 0.662 333 A CB -0.136 18.898 19.000 0.058 0.000 0.812 333 A HN 0.337 nan 8.150 nan 0.000 0.450 334 R N -1.295 119.261 120.500 0.094 0.000 2.055 334 R HA 0.036 4.376 4.340 -0.000 0.000 0.221 334 R C 1.726 178.045 176.300 0.032 0.000 1.154 334 R CA 1.235 57.367 56.100 0.053 0.000 0.975 334 R CB -0.599 29.733 30.300 0.054 0.000 0.869 334 R HN 0.554 nan 8.270 nan 0.000 0.437 335 H N 1.025 120.088 119.070 -0.012 0.000 2.567 335 H HA 0.067 4.623 4.556 -0.000 0.000 0.276 335 H C -0.201 175.120 175.328 -0.013 0.000 1.016 335 H CA 0.256 56.296 56.048 -0.012 0.000 1.186 335 H CB -0.689 29.061 29.762 -0.020 0.000 1.351 335 H HN 0.275 nan 8.280 nan 0.000 0.605 336 N N 0.552 119.311 118.700 0.097 0.000 2.678 336 N HA -0.188 4.552 4.740 -0.000 0.000 0.268 336 N C -1.043 174.490 175.510 0.038 0.000 1.010 336 N CA -0.079 53.001 53.050 0.049 0.000 0.784 336 N CB -0.782 37.722 38.487 0.029 0.000 0.905 336 N HN 0.384 nan 8.380 nan 0.000 0.552 337 I N 1.023 121.608 120.570 0.024 0.000 2.307 337 I HA 0.107 4.277 4.170 -0.000 0.000 0.289 337 I C 0.451 176.553 176.117 -0.025 0.000 1.021 337 I CA -0.222 61.074 61.300 -0.007 0.000 1.224 337 I CB 1.504 39.481 38.000 -0.039 0.000 1.376 337 I HN 0.115 nan 8.210 nan 0.000 0.470 338 S N 5.792 121.483 115.700 -0.016 0.000 2.525 338 S HA 0.580 5.050 4.470 -0.000 0.000 0.278 338 S C -0.518 174.071 174.600 -0.019 0.000 1.234 338 S CA -0.478 57.713 58.200 -0.014 0.000 1.058 338 S CB 0.963 64.158 63.200 -0.009 0.000 0.983 338 S HN 0.326 nan 8.310 nan 0.000 0.495 339 V N 5.302 125.208 119.914 -0.013 0.000 2.444 339 V HA 0.353 4.473 4.120 -0.000 0.000 0.294 339 V C 0.168 176.284 176.094 0.038 0.000 1.022 339 V CA -0.658 61.641 62.300 -0.002 0.000 0.850 339 V CB 1.858 33.662 31.823 -0.031 0.000 0.992 339 V HN 0.920 nan 8.190 nan 0.000 0.426 340 D N 3.375 123.812 120.400 0.063 0.000 2.213 340 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 340 D C 0.264 176.660 176.300 0.160 0.000 0.961 340 D CA 1.141 55.212 54.000 0.119 0.000 0.853 340 D CB 0.748 41.655 40.800 0.178 0.000 0.967 340 D HN 0.314 nan 8.370 nan 0.000 0.496 341 L N 1.456 122.752 121.223 0.121 0.000 2.404 341 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 341 L C -0.580 176.333 176.870 0.071 0.000 0.980 341 L CA -0.362 54.539 54.840 0.102 0.000 0.836 341 L CB 2.503 44.610 42.059 0.080 0.000 1.238 341 L HN -0.270 nan 8.230 nan 0.000 0.408 342 I N 1.578 122.199 120.570 0.084 0.000 2.689 342 I HA 0.554 4.724 4.170 -0.000 0.000 0.299 342 I C -0.376 175.791 176.117 0.084 0.000 1.059 342 I CA -0.449 60.900 61.300 0.082 0.000 1.055 342 I CB 2.673 40.749 38.000 0.127 0.000 1.243 342 I HN 0.432 nan 8.210 nan 0.000 0.425 343 T N 2.840 117.438 114.554 0.074 0.000 2.971 343 T HA 0.552 4.902 4.350 -0.000 0.000 0.304 343 T C -0.524 174.217 174.700 0.068 0.000 1.038 343 T CA -0.439 61.702 62.100 0.069 0.000 1.007 343 T CB 1.556 70.462 68.868 0.063 0.000 1.055 343 T HN 0.839 nan 8.240 nan 0.000 0.451 344 T N -0.236 114.360 114.554 0.069 0.000 2.907 344 T HA 0.827 5.177 4.350 -0.000 0.000 0.290 344 T C -0.571 174.165 174.700 0.061 0.000 1.066 344 T CA -0.973 61.172 62.100 0.074 0.000 1.012 344 T CB 1.930 70.854 68.868 0.093 0.000 1.184 344 T HN 0.460 nan 8.240 nan 0.000 0.522 345 S N 0.293 116.034 115.700 0.068 0.000 2.357 345 S HA 0.364 4.834 4.470 -0.000 0.000 0.209 345 S C -0.085 174.553 174.600 0.063 0.000 0.981 345 S CA -0.203 58.032 58.200 0.058 0.000 1.106 345 S CB -0.817 62.419 63.200 0.059 0.000 1.266 345 S HN 1.007 nan 8.310 nan 0.000 0.410 346 E N 0.441 120.672 120.200 0.052 0.000 3.056 346 E HA -0.267 4.083 4.350 -0.000 0.000 0.385 346 E C 0.455 177.098 176.600 0.072 0.000 1.474 346 E CA 1.782 58.209 56.400 0.044 0.000 1.245 346 E CB -1.505 28.211 29.700 0.027 0.000 1.631 346 E HN 1.040 nan 8.360 nan 0.000 0.513 347 V N -1.293 118.647 119.914 0.045 0.000 3.249 347 V HA 0.352 4.472 4.120 -0.000 0.000 0.338 347 V C -0.021 176.154 176.094 0.135 0.000 1.363 347 V CA 0.208 62.530 62.300 0.037 0.000 1.205 347 V CB 0.713 32.374 31.823 -0.270 0.000 1.164 347 V HN 0.267 nan 8.190 nan 0.000 0.458 348 S N 1.074 116.858 115.700 0.140 0.000 2.474 348 S HA 0.678 5.148 4.470 -0.000 0.000 0.321 348 S C -0.520 174.117 174.600 0.062 0.000 1.080 348 S CA -0.405 57.846 58.200 0.084 0.000 1.106 348 S CB 1.905 65.186 63.200 0.135 0.000 0.984 348 S HN 0.449 nan 8.310 nan 0.000 0.464 349 V N 3.303 123.239 119.914 0.037 0.000 2.407 349 V HA 0.795 4.915 4.120 -0.000 0.000 0.291 349 V C -0.281 175.790 176.094 -0.037 0.000 1.018 349 V CA -0.755 61.573 62.300 0.047 0.000 0.842 349 V CB 0.857 32.754 31.823 0.124 0.000 0.996 349 V HN 0.979 nan 8.190 nan 0.000 0.426 350 A N 7.975 130.783 122.820 -0.019 0.000 2.269 350 A HA 0.755 5.075 4.320 -0.000 0.000 0.302 350 A C -0.507 177.068 177.584 -0.016 0.000 1.266 350 A CA -0.464 51.556 52.037 -0.029 0.000 0.894 350 A CB 0.194 19.193 19.000 -0.002 0.000 1.147 350 A HN 0.931 nan 8.150 nan 0.000 0.537 351 L N 2.491 123.688 121.223 -0.043 0.000 2.289 351 L HA 0.362 4.702 4.340 -0.000 0.000 0.285 351 L C 0.190 177.045 176.870 -0.025 0.000 1.049 351 L CA -0.281 54.530 54.840 -0.047 0.000 0.804 351 L CB 1.717 43.715 42.059 -0.102 0.000 1.195 351 L HN 0.602 nan 8.230 nan 0.000 0.428 352 T N 5.060 119.611 114.554 -0.005 0.000 2.811 352 T HA 0.439 4.789 4.350 -0.000 0.000 0.309 352 T C 0.005 174.706 174.700 0.002 0.000 1.005 352 T CA -0.301 61.803 62.100 0.006 0.000 0.955 352 T CB 0.014 68.896 68.868 0.023 0.000 0.970 352 T HN 0.271 nan 8.240 nan 0.000 0.496 353 L N 3.507 124.725 121.223 -0.008 0.000 2.272 353 L HA 0.466 4.806 4.340 -0.000 0.000 0.289 353 L C 0.362 177.229 176.870 -0.005 0.000 1.032 353 L CA -0.978 53.856 54.840 -0.011 0.000 0.810 353 L CB 1.184 43.229 42.059 -0.022 0.000 1.205 353 L HN 0.497 nan 8.230 nan 0.000 0.422 354 D N 1.716 122.115 120.400 -0.002 0.000 2.312 354 D HA 0.230 4.870 4.640 -0.000 0.000 0.248 354 D C 0.221 176.516 176.300 -0.008 0.000 1.086 354 D CA -0.173 53.824 54.000 -0.004 0.000 0.948 354 D CB 1.304 42.101 40.800 -0.004 0.000 1.162 354 D HN 0.572 nan 8.370 nan 0.000 0.446 355 T N -0.895 113.653 114.554 -0.010 0.000 2.795 355 T HA 0.110 4.460 4.350 -0.000 0.000 0.314 355 T C 1.609 176.308 174.700 -0.001 0.000 1.069 355 T CA 0.263 62.361 62.100 -0.004 0.000 1.071 355 T CB 0.523 69.389 68.868 -0.004 0.000 0.988 355 T HN 0.542 nan 8.240 nan 0.000 0.543 356 T N -1.887 112.673 114.554 0.010 0.000 2.746 356 T HA 0.117 4.467 4.350 -0.000 0.000 0.267 356 T C 2.047 176.763 174.700 0.028 0.000 1.039 356 T CA 1.194 63.306 62.100 0.020 0.000 1.142 356 T CB -1.368 67.520 68.868 0.033 0.000 0.866 356 T HN 1.970 nan 8.240 nan 0.000 0.444 357 G N 0.827 109.646 108.800 0.033 0.000 2.155 357 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 357 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 357 G C 0.244 175.205 174.900 0.101 0.000 0.983 357 G CA 0.631 45.762 45.100 0.052 0.000 0.676 357 G HN 1.054 nan 8.290 nan 0.000 0.528 358 S N -0.886 114.868 115.700 0.089 0.000 2.592 358 S HA 0.516 4.986 4.470 -0.000 0.000 0.271 358 S C 1.882 176.562 174.600 0.135 0.000 1.326 358 S CA 0.907 59.174 58.200 0.112 0.000 1.024 358 S CB 0.846 64.099 63.200 0.088 0.000 0.921 358 S HN 0.416 nan 8.310 nan 0.000 0.527 359 T N 2.601 117.261 114.554 0.176 0.000 2.915 359 T HA -0.002 4.348 4.350 -0.000 0.000 0.269 359 T C 0.827 175.615 174.700 0.147 0.000 1.071 359 T CA 1.007 63.240 62.100 0.220 0.000 1.132 359 T CB -0.120 68.915 68.868 0.278 0.000 0.878 359 T HN 0.470 nan 8.240 nan 0.000 0.479 360 S N 0.984 116.751 115.700 0.112 0.000 2.438 360 S HA 0.243 4.713 4.470 -0.000 0.000 0.293 360 S C 1.509 176.147 174.600 0.064 0.000 1.141 360 S CA -0.594 57.654 58.200 0.081 0.000 1.080 360 S CB 0.913 64.155 63.200 0.070 0.000 0.978 360 S HN 0.490 nan 8.310 nan 0.000 0.479 361 T N 3.754 118.339 114.554 0.052 0.000 2.580 361 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 361 T C 1.965 176.686 174.700 0.034 0.000 1.063 361 T CA 1.395 63.519 62.100 0.039 0.000 1.170 361 T CB -1.307 67.579 68.868 0.031 0.000 0.863 361 T HN 0.759 nan 8.240 nan 0.000 0.418 362 G N 2.003 110.821 108.800 0.030 0.000 2.736 362 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.206 362 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.206 362 G C 0.265 175.183 174.900 0.029 0.000 1.158 362 G CA 0.057 45.172 45.100 0.026 0.000 0.801 362 G HN 0.519 nan 8.290 nan 0.000 0.528 363 D N 0.687 121.109 120.400 0.035 0.000 2.342 363 D HA 0.150 4.790 4.640 -0.000 0.000 0.260 363 D C -0.231 176.088 176.300 0.030 0.000 1.278 363 D CA 0.427 54.450 54.000 0.038 0.000 0.910 363 D CB 0.715 41.543 40.800 0.046 0.000 1.079 363 D HN -0.012 nan 8.370 nan 0.000 0.496 364 T N 3.885 118.456 114.554 0.028 0.000 2.756 364 T HA 0.275 4.625 4.350 -0.000 0.000 0.290 364 T C 1.780 176.494 174.700 0.025 0.000 0.985 364 T CA -0.832 61.282 62.100 0.023 0.000 0.955 364 T CB 0.465 69.346 68.868 0.021 0.000 0.930 364 T HN 0.292 nan 8.240 nan 0.000 0.451 365 L N 5.379 126.613 121.223 0.018 0.000 1.989 365 L HA 0.166 4.506 4.340 -0.000 0.000 0.211 365 L C 1.261 178.139 176.870 0.013 0.000 1.071 365 L CA 1.352 56.201 54.840 0.015 0.000 0.749 365 L CB -0.908 41.153 42.059 0.002 0.000 0.890 365 L HN 0.528 nan 8.230 nan 0.000 0.431 366 L N 2.637 123.861 121.223 0.003 0.000 2.356 366 L HA 0.214 4.554 4.340 -0.000 0.000 0.282 366 L C 0.381 177.258 176.870 0.012 0.000 1.132 366 L CA -0.425 54.412 54.840 -0.005 0.000 0.923 366 L CB -0.439 41.610 42.059 -0.016 0.000 1.278 366 L HN 0.348 nan 8.230 nan 0.000 0.436 367 T N -1.566 113.009 114.554 0.035 0.000 2.907 367 T HA 0.100 4.450 4.350 -0.000 0.000 0.298 367 T C 1.048 175.776 174.700 0.047 0.000 1.017 367 T CA -0.739 61.395 62.100 0.057 0.000 1.118 367 T CB 1.586 70.519 68.868 0.109 0.000 0.948 367 T HN 0.437 nan 8.240 nan 0.000 0.531 368 Q N 1.737 121.561 119.800 0.041 0.000 2.291 368 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 368 Q C 2.555 178.585 176.000 0.049 0.000 0.976 368 Q CA 1.651 57.474 55.803 0.034 0.000 0.875 368 Q CB -0.403 28.351 28.738 0.028 0.000 0.927 368 Q HN 0.995 nan 8.270 nan 0.000 0.450 369 S N 0.782 116.530 115.700 0.080 0.000 2.355 369 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 369 S C 1.984 176.676 174.600 0.154 0.000 1.031 369 S CA 0.967 59.234 58.200 0.111 0.000 0.993 369 S CB -0.594 62.679 63.200 0.122 0.000 0.859 369 S HN 0.276 nan 8.310 nan 0.000 0.453 370 L N 1.914 123.249 121.223 0.187 0.000 1.956 370 L HA -0.022 4.318 4.340 -0.000 0.000 0.216 370 L C 2.412 179.230 176.870 -0.087 0.000 1.073 370 L CA 1.760 56.549 54.840 -0.085 0.000 0.762 370 L CB -0.998 40.861 42.059 -0.333 0.000 0.889 370 L HN 0.413 nan 8.230 nan 0.000 0.433 371 L N -0.674 120.520 121.223 -0.049 0.000 1.951 371 L HA -0.338 4.002 4.340 -0.000 0.000 0.222 371 L C 2.828 179.692 176.870 -0.009 0.000 1.078 371 L CA 2.582 57.403 54.840 -0.033 0.000 0.778 371 L CB -0.856 41.196 42.059 -0.012 0.000 0.893 371 L HN 0.576 nan 8.230 nan 0.000 0.436 372 M N -0.738 118.870 119.600 0.012 0.000 2.260 372 M HA -0.261 4.219 4.480 -0.000 0.000 0.261 372 M C 1.979 178.292 176.300 0.023 0.000 1.066 372 M CA 2.367 57.679 55.300 0.021 0.000 1.082 372 M CB -0.754 31.861 32.600 0.027 0.000 1.388 372 M HN 0.335 nan 8.290 nan 0.000 0.419 373 E N 1.330 121.543 120.200 0.022 0.000 2.107 373 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 373 E C 1.952 178.555 176.600 0.006 0.000 0.982 373 E CA 1.109 57.525 56.400 0.027 0.000 0.809 373 E CB -0.103 29.629 29.700 0.052 0.000 0.756 373 E HN 0.742 nan 8.360 nan 0.000 0.459 374 L N 0.266 121.475 121.223 -0.023 0.000 2.162 374 L HA 0.010 4.350 4.340 -0.000 0.000 0.205 374 L C 2.579 179.458 176.870 0.014 0.000 1.086 374 L CA 0.590 55.414 54.840 -0.027 0.000 0.778 374 L CB -0.207 41.806 42.059 -0.077 0.000 0.928 374 L HN 0.071 nan 8.230 nan 0.000 0.446 375 S N 0.587 116.297 115.700 0.015 0.000 2.402 375 S HA -0.198 4.272 4.470 -0.000 0.000 0.233 375 S C 2.116 176.746 174.600 0.049 0.000 1.030 375 S CA 1.462 59.682 58.200 0.033 0.000 1.003 375 S CB -0.219 62.997 63.200 0.025 0.000 0.813 375 S HN 0.514 nan 8.310 nan 0.000 0.477 376 A N 0.843 123.691 122.820 0.046 0.000 1.943 376 A HA 0.210 4.530 4.320 -0.000 0.000 0.213 376 A C 1.975 179.603 177.584 0.074 0.000 1.181 376 A CA 0.633 52.701 52.037 0.052 0.000 0.653 376 A CB -0.475 18.550 19.000 0.042 0.000 0.833 376 A HN 0.413 nan 8.150 nan 0.000 0.451 377 L N -0.032 121.239 121.223 0.080 0.000 2.275 377 L HA 0.060 4.400 4.340 -0.000 0.000 0.215 377 L C 0.363 177.361 176.870 0.212 0.000 1.119 377 L CA 0.907 55.819 54.840 0.120 0.000 0.790 377 L CB -0.555 41.554 42.059 0.083 0.000 0.919 377 L HN 0.775 nan 8.230 nan 0.000 0.443 378 C N -1.914 117.498 119.300 0.186 0.000 3.259 378 C HA 0.314 4.774 4.460 -0.000 0.000 0.431 378 C C 0.077 175.169 174.990 0.171 0.000 0.967 378 C CA -1.601 57.575 59.018 0.264 0.000 1.175 378 C CB 0.060 28.110 27.740 0.516 0.000 1.566 378 C HN 0.543 nan 8.230 nan 0.000 0.615 379 R N 2.392 122.986 120.500 0.156 0.000 2.583 379 R HA 0.430 4.770 4.340 -0.000 0.000 0.274 379 R C 0.134 176.519 176.300 0.141 0.000 0.998 379 R CA 0.798 56.977 56.100 0.131 0.000 1.081 379 R CB 0.526 30.905 30.300 0.131 0.000 0.940 379 R HN 1.669 nan 8.270 nan 0.000 0.413 380 V N 0.007 119.979 119.914 0.097 0.000 2.994 380 V HA 0.678 4.798 4.120 -0.000 0.000 0.318 380 V C -0.544 175.599 176.094 0.080 0.000 1.085 380 V CA -0.805 61.536 62.300 0.069 0.000 0.998 380 V CB 1.873 33.712 31.823 0.027 0.000 1.063 380 V HN 0.937 nan 8.190 nan 0.000 0.447 381 E N 0.670 120.903 120.200 0.056 0.000 2.343 381 E HA 0.700 5.050 4.350 -0.000 0.000 0.278 381 E C -1.994 174.622 176.600 0.026 0.000 0.910 381 E CA -0.679 55.757 56.400 0.060 0.000 0.757 381 E CB 2.842 32.604 29.700 0.103 0.000 1.218 381 E HN 0.637 nan 8.360 nan 0.000 0.435 382 V N 2.392 122.321 119.914 0.025 0.000 2.567 382 V HA 0.275 4.395 4.120 -0.000 0.000 0.298 382 V C -0.843 175.261 176.094 0.017 0.000 1.047 382 V CA -0.764 61.544 62.300 0.012 0.000 0.880 382 V CB 1.810 33.636 31.823 0.005 0.000 1.009 382 V HN 0.593 nan 8.190 nan 0.000 0.429 383 E N 3.743 123.952 120.200 0.015 0.000 2.187 383 E HA 0.624 4.974 4.350 -0.000 0.000 0.268 383 E C -0.894 175.712 176.600 0.010 0.000 0.896 383 E CA -0.617 55.793 56.400 0.017 0.000 0.766 383 E CB 2.822 32.536 29.700 0.024 0.000 1.142 383 E HN 0.703 nan 8.360 nan 0.000 0.408 384 E N 0.158 120.363 120.200 0.009 0.000 2.334 384 E HA 0.499 4.849 4.350 -0.000 0.000 0.256 384 E C 0.194 176.795 176.600 0.003 0.000 0.958 384 E CA -1.044 55.359 56.400 0.004 0.000 0.821 384 E CB 1.419 31.121 29.700 0.003 0.000 1.269 384 E HN 0.665 nan 8.360 nan 0.000 0.413 385 G N 0.785 109.584 108.800 -0.002 0.000 2.273 385 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 385 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 385 G C -0.352 174.542 174.900 -0.009 0.000 1.047 385 G CA 0.327 45.424 45.100 -0.006 0.000 0.869 385 G HN 0.164 nan 8.290 nan 0.000 0.502 386 L N -0.372 120.843 121.223 -0.012 0.000 2.334 386 L HA 0.839 5.179 4.340 -0.000 0.000 0.273 386 L C 0.495 177.343 176.870 -0.035 0.000 1.013 386 L CA -0.639 54.191 54.840 -0.016 0.000 0.816 386 L CB 2.129 44.185 42.059 -0.004 0.000 1.278 386 L HN 0.340 nan 8.230 nan 0.000 0.431 387 A N 2.705 125.491 122.820 -0.057 0.000 2.355 387 A HA 0.694 5.014 4.320 -0.000 0.000 0.317 387 A C -1.196 176.309 177.584 -0.132 0.000 1.094 387 A CA -0.501 51.484 52.037 -0.087 0.000 0.764 387 A CB 1.530 20.468 19.000 -0.103 0.000 1.230 387 A HN 0.568 nan 8.150 nan 0.000 0.448 388 L N 3.117 124.256 121.223 -0.140 0.000 2.312 388 L HA 0.674 5.014 4.340 -0.000 0.000 0.281 388 L C -0.847 175.829 176.870 -0.323 0.000 1.070 388 L CA 0.012 54.727 54.840 -0.209 0.000 0.805 388 L CB 1.444 43.424 42.059 -0.131 0.000 1.174 388 L HN 0.404 nan 8.230 nan 0.000 0.434 389 V N 5.287 124.849 119.914 -0.586 0.000 2.448 389 V HA 0.830 4.950 4.120 -0.000 0.000 0.295 389 V C -0.018 175.674 176.094 -0.669 0.000 1.025 389 V CA -0.281 61.598 62.300 -0.702 0.000 0.859 389 V CB 1.226 32.395 31.823 -1.090 0.000 0.988 389 V HN 0.992 nan 8.190 nan 0.000 0.431 390 A N 4.964 127.555 122.820 -0.382 0.000 2.365 390 A HA 0.910 5.230 4.320 -0.000 0.000 0.318 390 A C -1.220 176.290 177.584 -0.124 0.000 1.091 390 A CA -0.584 51.272 52.037 -0.301 0.000 0.763 390 A CB 1.528 20.312 19.000 -0.359 0.000 1.248 390 A HN 0.874 nan 8.150 nan 0.000 0.442 391 L N 3.392 124.575 121.223 -0.066 0.000 2.305 391 L HA 0.690 5.030 4.340 -0.000 0.000 0.284 391 L C -1.057 175.874 176.870 0.101 0.000 1.013 391 L CA -0.162 54.684 54.840 0.011 0.000 0.819 391 L CB 0.652 42.670 42.059 -0.069 0.000 1.227 391 L HN 0.589 nan 8.230 nan 0.000 0.417 392 I N 5.174 125.845 120.570 0.169 0.000 2.412 392 I HA 0.805 4.975 4.170 -0.000 0.000 0.296 392 I C 0.557 176.848 176.117 0.290 0.000 0.987 392 I CA -0.264 61.172 61.300 0.226 0.000 1.180 392 I CB 1.627 39.742 38.000 0.192 0.000 1.340 392 I HN 0.826 nan 8.210 nan 0.000 0.455 393 G N 5.398 114.392 108.800 0.323 0.000 2.635 393 G HA2 0.330 4.290 3.960 -0.000 0.000 0.194 393 G HA3 0.330 4.290 3.960 -0.000 0.000 0.194 393 G C -1.647 173.439 174.900 0.311 0.000 1.198 393 G CA -0.500 44.789 45.100 0.315 0.000 0.972 393 G HN 0.505 nan 8.290 nan 0.000 0.520 394 N N 1.047 119.846 118.700 0.164 0.000 2.336 394 N HA 0.375 5.115 4.740 -0.000 0.000 0.290 394 N C -1.586 173.911 175.510 -0.022 0.000 1.058 394 N CA -0.472 52.604 53.050 0.043 0.000 0.865 394 N CB 2.320 40.846 38.487 0.065 0.000 1.581 394 N HN 0.479 nan 8.380 nan 0.000 0.480 395 D N 0.860 121.210 120.400 -0.083 0.000 2.772 395 D HA -0.159 4.481 4.640 -0.000 0.000 0.233 395 D C 1.227 177.550 176.300 0.039 0.000 1.143 395 D CA 0.539 54.519 54.000 -0.034 0.000 0.700 395 D CB -1.254 39.523 40.800 -0.039 0.000 1.076 395 D HN 0.553 nan 8.370 nan 0.000 0.430 396 L N -0.214 121.077 121.223 0.114 0.000 2.201 396 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 396 L C 2.592 179.647 176.870 0.308 0.000 1.105 396 L CA 1.580 56.546 54.840 0.210 0.000 0.775 396 L CB -0.550 41.670 42.059 0.269 0.000 0.913 396 L HN 0.238 nan 8.230 nan 0.000 0.440 397 S N -0.182 115.679 115.700 0.268 0.000 2.371 397 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 397 S C 1.602 176.258 174.600 0.093 0.000 1.029 397 S CA 0.665 58.968 58.200 0.171 0.000 0.978 397 S CB -0.210 62.987 63.200 -0.006 0.000 0.833 397 S HN 0.384 nan 8.310 nan 0.000 0.466 398 K N 1.686 122.121 120.400 0.058 0.000 2.570 398 K HA 0.555 4.875 4.320 -0.000 0.000 0.210 398 K C -0.040 176.578 176.600 0.031 0.000 1.048 398 K CA -0.052 56.253 56.287 0.030 0.000 1.167 398 K CB 0.670 33.173 32.500 0.006 0.000 0.892 398 K HN 0.470 nan 8.250 nan 0.000 0.480 399 A N 0.114 122.967 122.820 0.055 0.000 2.387 399 A HA 0.613 4.933 4.320 -0.000 0.000 0.303 399 A C -0.626 176.989 177.584 0.052 0.000 1.145 399 A CA -0.652 51.404 52.037 0.032 0.000 0.801 399 A CB 1.092 20.097 19.000 0.008 0.000 1.342 399 A HN 0.270 nan 8.150 nan 0.000 0.440 400 C N -0.991 118.327 119.300 0.030 0.000 2.399 400 C HA 0.734 5.194 4.460 -0.000 0.000 0.348 400 C C 1.490 176.511 174.990 0.053 0.000 1.183 400 C CA 0.751 59.794 59.018 0.041 0.000 2.023 400 C CB 0.699 28.453 27.740 0.022 0.000 2.361 400 C HN 2.049 nan 8.230 nan 0.000 0.521 401 G N 1.253 110.091 108.800 0.064 0.000 2.155 401 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.257 401 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.257 401 G C 0.569 175.536 174.900 0.112 0.000 0.983 401 G CA 0.584 45.729 45.100 0.074 0.000 0.676 401 G HN 0.683 nan 8.290 nan 0.000 0.528 402 V N 0.777 120.771 119.914 0.133 0.000 2.343 402 V HA -0.034 4.086 4.120 -0.000 0.000 0.247 402 V C 3.076 179.236 176.094 0.110 0.000 1.051 402 V CA 3.106 65.493 62.300 0.146 0.000 1.036 402 V CB -0.983 30.910 31.823 0.117 0.000 0.654 402 V HN 0.681 nan 8.190 nan 0.000 0.451 403 G N -0.536 108.342 108.800 0.130 0.000 2.418 403 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 403 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 403 G C 1.686 176.726 174.900 0.233 0.000 1.158 403 G CA 0.886 46.103 45.100 0.194 0.000 0.771 403 G HN 0.381 nan 8.290 nan 0.000 0.545 404 K N 0.657 121.127 120.400 0.118 0.000 2.062 404 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 404 K C 2.330 178.963 176.600 0.055 0.000 1.051 404 K CA 1.434 57.772 56.287 0.084 0.000 0.941 404 K CB -0.212 32.318 32.500 0.050 0.000 0.719 404 K HN 0.209 nan 8.250 nan 0.000 0.440 405 E N 0.484 120.707 120.200 0.038 0.000 2.085 405 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 405 E C 1.898 178.413 176.600 -0.141 0.000 0.994 405 E CA 1.162 57.549 56.400 -0.021 0.000 0.801 405 E CB -0.065 29.665 29.700 0.050 0.000 0.743 405 E HN 0.096 nan 8.360 nan 0.000 0.453 406 V N -0.661 119.132 119.914 -0.202 0.000 2.446 406 V HA -0.088 4.032 4.120 -0.000 0.000 0.244 406 V C 1.239 176.983 176.094 -0.584 0.000 1.039 406 V CA 1.300 63.313 62.300 -0.478 0.000 1.045 406 V CB -0.317 31.047 31.823 -0.765 0.000 0.681 406 V HN 0.215 nan 8.190 nan 0.000 0.459 407 F N 0.674 120.524 119.950 -0.167 0.000 2.693 407 F HA 0.354 4.881 4.527 -0.000 0.000 0.303 407 F C 2.008 177.759 175.800 -0.082 0.000 1.097 407 F CA 0.491 58.400 58.000 -0.151 0.000 1.330 407 F CB -0.646 38.245 39.000 -0.181 0.000 1.067 407 F HN 0.123 nan 8.300 nan 0.000 0.565 408 G N 0.027 108.854 108.800 0.044 0.000 2.448 408 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 408 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 408 G C 1.449 176.356 174.900 0.011 0.000 1.135 408 G CA 0.966 46.082 45.100 0.027 0.000 0.784 408 G HN 0.275 nan 8.290 nan 0.000 0.543 409 V N 0.576 120.493 119.914 0.004 0.000 3.471 409 V HA 0.188 4.308 4.120 -0.000 0.000 0.258 409 V C 2.038 178.168 176.094 0.061 0.000 1.192 409 V CA 0.385 62.698 62.300 0.022 0.000 1.116 409 V CB -0.023 31.820 31.823 0.033 0.000 0.792 409 V HN 0.294 nan 8.190 nan 0.000 0.459 410 L N 0.658 121.942 121.223 0.101 0.000 2.645 410 L HA 0.151 4.491 4.340 -0.000 0.000 0.234 410 L C 2.123 179.042 176.870 0.082 0.000 1.165 410 L CA 0.427 55.416 54.840 0.248 0.000 0.944 410 L CB -0.622 41.595 42.059 0.264 0.000 1.149 410 L HN 0.400 nan 8.230 nan 0.000 0.446 411 E N 2.491 122.672 120.200 -0.032 0.000 2.086 411 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 411 E C -0.527 175.979 176.600 -0.157 0.000 1.012 411 E CA 1.599 57.960 56.400 -0.065 0.000 0.812 411 E CB -0.648 29.010 29.700 -0.070 0.000 0.743 411 E HN 0.367 nan 8.360 nan 0.000 0.453 412 P HA -0.060 nan 4.420 nan 0.000 0.239 412 P C -0.393 176.590 177.300 -0.527 0.000 1.184 412 P CA 0.778 63.573 63.100 -0.507 0.000 0.760 412 P CB -0.239 31.049 31.700 -0.688 0.000 0.884 413 F N -0.131 119.841 119.950 0.036 0.000 2.613 413 F HA 0.422 4.949 4.527 -0.000 0.000 0.342 413 F C 0.848 176.680 175.800 0.053 0.000 1.066 413 F CA -1.509 56.520 58.000 0.048 0.000 1.002 413 F CB 0.653 39.694 39.000 0.067 0.000 1.319 413 F HN -0.323 nan 8.300 nan 0.000 0.495 414 N N 1.184 120.066 118.700 0.304 0.000 2.501 414 N HA 0.350 5.090 4.740 -0.000 0.000 0.245 414 N C -1.389 174.230 175.510 0.181 0.000 0.974 414 N CA -0.171 52.987 53.050 0.181 0.000 0.941 414 N CB 0.382 38.948 38.487 0.132 0.000 1.122 414 N HN 0.462 nan 8.380 nan 0.000 0.507 415 I N 3.018 123.690 120.570 0.170 0.000 2.352 415 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 415 I C 1.320 177.519 176.117 0.138 0.000 1.036 415 I CA -0.472 60.941 61.300 0.189 0.000 1.336 415 I CB 1.393 39.493 38.000 0.166 0.000 1.407 415 I HN 0.569 nan 8.210 nan 0.000 0.497 416 R N 5.646 126.234 120.500 0.147 0.000 2.237 416 R HA 0.280 4.620 4.340 -0.000 0.000 0.195 416 R C -0.051 176.309 176.300 0.100 0.000 0.956 416 R CA 0.953 57.115 56.100 0.104 0.000 1.029 416 R CB 0.451 30.803 30.300 0.086 0.000 0.972 416 R HN 0.591 nan 8.270 nan 0.000 0.493 417 M N 0.604 120.285 119.600 0.136 0.000 2.365 417 M HA 0.350 4.830 4.480 -0.000 0.000 0.288 417 M C -1.987 174.423 176.300 0.183 0.000 1.152 417 M CA -0.571 54.802 55.300 0.123 0.000 0.948 417 M CB 2.039 34.696 32.600 0.095 0.000 1.729 417 M HN 0.005 nan 8.290 nan 0.000 0.487 418 I N 3.457 124.115 120.570 0.148 0.000 2.478 418 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 418 I C -0.986 175.229 176.117 0.163 0.000 1.042 418 I CA -0.675 60.741 61.300 0.195 0.000 1.067 418 I CB 2.058 40.129 38.000 0.119 0.000 1.233 418 I HN 0.724 nan 8.210 nan 0.000 0.431 419 C N 7.747 127.158 119.300 0.185 0.000 2.344 419 C HA 0.730 5.190 4.460 -0.000 0.000 0.326 419 C C -1.248 173.887 174.990 0.242 0.000 1.201 419 C CA -0.318 58.796 59.018 0.159 0.000 1.410 419 C CB 0.232 28.035 27.740 0.105 0.000 2.070 419 C HN 0.729 nan 8.230 nan 0.000 0.445 420 Y N 4.087 124.427 120.300 0.068 0.000 2.521 420 Y HA 0.669 5.219 4.550 -0.000 0.000 0.332 420 Y C 0.223 176.159 175.900 0.060 0.000 1.121 420 Y CA 0.182 58.326 58.100 0.073 0.000 1.037 420 Y CB 1.581 40.099 38.460 0.097 0.000 1.330 420 Y HN 1.027 nan 8.280 nan 0.000 0.452 421 G N 2.061 110.574 108.800 -0.478 0.000 2.421 421 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.188 421 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.188 421 G C 0.785 175.575 174.900 -0.183 0.000 1.001 421 G CA 0.115 44.901 45.100 -0.523 0.000 0.693 421 G HN 1.480 nan 8.290 nan 0.000 0.479 422 A N -0.292 122.501 122.820 -0.045 0.000 2.072 422 A HA 0.685 5.005 4.320 -0.000 0.000 0.216 422 A C 1.248 178.866 177.584 0.057 0.000 1.156 422 A CA 2.053 54.100 52.037 0.017 0.000 0.701 422 A CB 0.041 19.077 19.000 0.059 0.000 0.816 422 A HN 1.487 nan 8.150 nan 0.000 0.458 423 S N -0.957 114.801 115.700 0.097 0.000 2.571 423 S HA 0.377 4.847 4.470 -0.000 0.000 0.284 423 S C 0.606 175.295 174.600 0.148 0.000 1.128 423 S CA 0.130 58.417 58.200 0.144 0.000 0.970 423 S CB 1.488 64.825 63.200 0.227 0.000 1.039 423 S HN 0.556 nan 8.310 nan 0.000 0.485 424 S N 3.341 119.078 115.700 0.062 0.000 2.720 424 S HA 0.107 4.577 4.470 -0.000 0.000 0.222 424 S C 0.737 175.308 174.600 -0.049 0.000 0.958 424 S CA 0.216 58.417 58.200 0.001 0.000 0.943 424 S CB -0.427 62.711 63.200 -0.103 0.000 0.779 424 S HN 0.811 nan 8.310 nan 0.000 0.526 425 H N 1.290 120.467 119.070 0.178 0.000 2.855 425 H HA 0.311 4.867 4.556 -0.000 0.000 0.259 425 H C 0.334 175.785 175.328 0.205 0.000 0.972 425 H CA 0.530 56.684 56.048 0.178 0.000 1.213 425 H CB 0.339 30.196 29.762 0.159 0.000 1.451 425 H HN 0.731 nan 8.280 nan 0.000 0.484 426 N N 0.011 118.913 118.700 0.337 0.000 2.525 426 N HA 0.348 5.088 4.740 -0.000 0.000 0.270 426 N C -1.671 173.959 175.510 0.201 0.000 1.321 426 N CA -0.848 52.346 53.050 0.240 0.000 0.797 426 N CB 2.222 40.845 38.487 0.226 0.000 1.529 426 N HN 0.025 nan 8.380 nan 0.000 0.491 427 L N 0.669 121.920 121.223 0.047 0.000 2.491 427 L HA 0.661 5.001 4.340 -0.000 0.000 0.267 427 L C -1.533 175.334 176.870 -0.006 0.000 0.971 427 L CA -0.428 54.409 54.840 -0.004 0.000 0.857 427 L CB 0.645 42.541 42.059 -0.271 0.000 1.226 427 L HN 0.898 nan 8.230 nan 0.000 0.408 428 C N 3.393 122.689 119.300 -0.005 0.000 2.505 428 C HA 0.894 5.354 4.460 -0.000 0.000 0.358 428 C C -0.497 174.609 174.990 0.194 0.000 1.226 428 C CA -0.828 58.130 59.018 -0.099 0.000 1.900 428 C CB 1.222 28.731 27.740 -0.386 0.000 2.306 428 C HN 0.774 nan 8.230 nan 0.000 0.512 429 F N -1.472 118.429 119.950 -0.082 0.000 2.744 429 F HA 0.741 5.268 4.527 -0.000 0.000 0.311 429 F C -1.750 174.033 175.800 -0.028 0.000 1.144 429 F CA -1.299 56.697 58.000 -0.006 0.000 0.938 429 F CB 0.340 39.390 39.000 0.083 0.000 1.292 429 F HN 0.354 nan 8.300 nan 0.000 0.444 430 L N 2.890 124.211 121.223 0.163 0.000 2.352 430 L HA 0.942 5.282 4.340 -0.000 0.000 0.269 430 L C -0.449 176.503 176.870 0.137 0.000 1.034 430 L CA -1.469 53.400 54.840 0.048 0.000 0.806 430 L CB 1.838 43.925 42.059 0.047 0.000 1.244 430 L HN 0.797 nan 8.230 nan 0.000 0.447 431 V N -1.010 118.925 119.914 0.034 0.000 3.077 431 V HA 0.511 4.631 4.120 -0.000 0.000 0.299 431 V C -2.774 173.313 176.094 -0.012 0.000 1.276 431 V CA -1.933 60.391 62.300 0.040 0.000 0.993 431 V CB 1.750 33.568 31.823 -0.008 0.000 1.076 431 V HN 0.568 nan 8.190 nan 0.000 0.434 432 P HA 0.095 nan 4.420 nan 0.000 0.264 432 P C 1.226 178.504 177.300 -0.036 0.000 1.183 432 P CA 1.147 64.246 63.100 -0.002 0.000 0.763 432 P CB 0.989 32.703 31.700 0.024 0.000 0.807 433 G N 4.447 113.228 108.800 -0.032 0.000 2.649 433 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 433 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 433 G C 1.277 176.147 174.900 -0.050 0.000 1.189 433 G CA 0.986 46.059 45.100 -0.044 0.000 0.777 433 G HN 0.660 nan 8.290 nan 0.000 0.602 434 E N 0.997 121.179 120.200 -0.030 0.000 2.219 434 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 434 E C 1.244 177.820 176.600 -0.040 0.000 0.998 434 E CA 1.562 57.948 56.400 -0.023 0.000 0.818 434 E CB -0.488 29.214 29.700 0.002 0.000 0.741 434 E HN 0.413 nan 8.360 nan 0.000 0.477 435 D N 0.840 121.195 120.400 -0.075 0.000 2.339 435 D HA 0.227 4.867 4.640 -0.000 0.000 0.217 435 D C 1.677 177.813 176.300 -0.274 0.000 1.050 435 D CA 0.838 54.737 54.000 -0.168 0.000 0.856 435 D CB 0.125 40.781 40.800 -0.239 0.000 0.922 435 D HN 0.257 nan 8.370 nan 0.000 0.518 436 A N 1.643 124.351 122.820 -0.186 0.000 1.870 436 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 436 A C 2.024 179.503 177.584 -0.175 0.000 1.224 436 A CA 1.803 53.730 52.037 -0.184 0.000 0.650 436 A CB -0.657 18.264 19.000 -0.131 0.000 0.836 436 A HN 0.235 nan 8.150 nan 0.000 0.454 437 E N -1.168 118.959 120.200 -0.123 0.000 2.077 437 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 437 E C 2.307 178.860 176.600 -0.078 0.000 0.989 437 E CA 1.121 57.464 56.400 -0.095 0.000 0.800 437 E CB -0.223 29.436 29.700 -0.068 0.000 0.746 437 E HN 0.790 nan 8.360 nan 0.000 0.452 438 Q N 0.910 120.666 119.800 -0.074 0.000 2.181 438 Q HA -0.172 4.168 4.340 -0.000 0.000 0.205 438 Q C 2.188 178.178 176.000 -0.017 0.000 0.980 438 Q CA 1.178 56.977 55.803 -0.006 0.000 0.862 438 Q CB 0.164 28.946 28.738 0.073 0.000 0.905 438 Q HN 0.143 nan 8.270 nan 0.000 0.429 439 V N -0.288 119.512 119.914 -0.191 0.000 2.270 439 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 439 V C 2.321 178.397 176.094 -0.030 0.000 1.043 439 V CA 1.449 63.652 62.300 -0.162 0.000 1.014 439 V CB -0.436 31.199 31.823 -0.314 0.000 0.645 439 V HN 0.237 nan 8.190 nan 0.000 0.447 440 V N -0.224 119.652 119.914 -0.064 0.000 2.380 440 V HA -0.371 3.749 4.120 -0.000 0.000 0.251 440 V C 2.417 178.538 176.094 0.045 0.000 1.063 440 V CA 2.230 64.515 62.300 -0.025 0.000 1.055 440 V CB -0.819 30.962 31.823 -0.070 0.000 0.657 440 V HN 0.599 nan 8.190 nan 0.000 0.455 441 Q N -0.620 119.200 119.800 0.033 0.000 2.020 441 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 441 Q C 2.496 178.570 176.000 0.123 0.000 0.974 441 Q CA 1.158 57.004 55.803 0.072 0.000 0.829 441 Q CB -0.244 28.520 28.738 0.045 0.000 0.894 441 Q HN 0.405 nan 8.270 nan 0.000 0.433 442 K N 0.809 121.277 120.400 0.113 0.000 2.044 442 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 442 K C 2.099 178.758 176.600 0.098 0.000 1.049 442 K CA 1.246 57.604 56.287 0.119 0.000 0.927 442 K CB -0.609 31.994 32.500 0.171 0.000 0.713 442 K HN 0.237 nan 8.250 nan 0.000 0.443 443 L N -0.083 121.196 121.223 0.094 0.000 1.961 443 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 443 L C 2.707 179.635 176.870 0.097 0.000 1.072 443 L CA 1.558 56.428 54.840 0.050 0.000 0.749 443 L CB -0.863 41.224 42.059 0.047 0.000 0.889 443 L HN 0.392 nan 8.230 nan 0.000 0.432 444 H N -0.257 118.904 119.070 0.151 0.000 2.362 444 H HA -0.248 4.308 4.556 -0.000 0.000 0.294 444 H C 2.481 177.955 175.328 0.244 0.000 1.113 444 H CA 2.198 58.458 56.048 0.353 0.000 1.253 444 H CB 0.131 30.026 29.762 0.222 0.000 1.363 444 H HN 0.310 nan 8.280 nan 0.000 0.494 445 S N 0.988 116.817 115.700 0.215 0.000 2.398 445 S HA -0.206 4.264 4.470 -0.000 0.000 0.220 445 S C 1.582 176.191 174.600 0.014 0.000 1.038 445 S CA 1.588 59.861 58.200 0.122 0.000 1.080 445 S CB -0.486 62.778 63.200 0.108 0.000 1.039 445 S HN 0.794 nan 8.310 nan 0.000 0.419 446 N N 1.520 120.210 118.700 -0.016 0.000 2.542 446 N HA 0.056 4.796 4.740 -0.000 0.000 0.234 446 N C 0.708 176.127 175.510 -0.152 0.000 1.257 446 N CA 0.131 53.145 53.050 -0.059 0.000 0.883 446 N CB 0.223 38.686 38.487 -0.041 0.000 1.197 446 N HN 0.551 nan 8.380 nan 0.000 0.488 447 L N -1.926 119.144 121.223 -0.255 0.000 3.048 447 L HA 0.318 4.658 4.340 -0.000 0.000 0.278 447 L C 0.188 176.495 176.870 -0.938 0.000 1.057 447 L CA 0.103 54.579 54.840 -0.607 0.000 1.073 447 L CB 0.366 41.942 42.059 -0.805 0.000 1.802 447 L HN -0.054 nan 8.230 nan 0.000 0.562 448 F N -0.629 119.182 119.950 -0.233 0.000 2.856 448 F HA 0.292 4.819 4.527 -0.000 0.000 0.338 448 F C 0.996 176.701 175.800 -0.158 0.000 1.005 448 F CA -0.558 57.292 58.000 -0.250 0.000 1.155 448 F CB 0.498 39.177 39.000 -0.535 0.000 1.010 448 F HN -0.162 nan 8.300 nan 0.000 0.587 449 E N 0.000 120.212 120.200 0.020 0.000 2.725 449 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 449 E CA 0.000 56.437 56.400 0.062 0.000 0.976 449 E CB 0.000 29.760 29.700 0.100 0.000 0.812 449 E HN 0.000 nan 8.360 nan 0.000 0.440