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 1we3_1_G DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.545 177.584 -0.065 0.000 1.274 3 A CA 0.000 52.011 52.037 -0.042 0.000 0.836 3 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 4 K N 0.333 120.702 120.400 -0.051 0.000 2.106 4 K HA 0.681 5.001 4.320 0.001 0.000 0.246 4 K C -0.805 175.767 176.600 -0.046 0.000 0.987 4 K CA -0.261 55.989 56.287 -0.061 0.000 0.904 4 K CB 1.952 34.424 32.500 -0.047 0.000 1.071 4 K HN 0.600 nan 8.250 nan 0.000 0.453 5 I N 1.180 121.719 120.570 -0.052 0.000 2.569 5 I HA 0.299 4.469 4.170 0.001 0.000 0.290 5 I C -1.542 174.559 176.117 -0.026 0.000 1.088 5 I CA -0.900 60.385 61.300 -0.025 0.000 1.047 5 I CB 1.164 39.147 38.000 -0.029 0.000 1.237 5 I HN 0.378 nan 8.210 nan 0.000 0.421 6 L N 8.123 129.354 121.223 0.013 0.000 2.277 6 L HA 0.495 4.836 4.340 0.001 0.000 0.284 6 L C -0.696 176.198 176.870 0.040 0.000 1.028 6 L CA -0.801 54.022 54.840 -0.027 0.000 0.835 6 L CB 1.415 43.505 42.059 0.053 0.000 1.215 6 L HN 0.345 nan 8.230 nan 0.000 0.425 7 V N 3.648 123.514 119.914 -0.079 0.000 2.394 7 V HA 0.459 4.579 4.120 0.001 0.000 0.282 7 V C -0.072 175.984 176.094 -0.064 0.000 1.031 7 V CA -0.275 62.047 62.300 0.036 0.000 0.881 7 V CB 1.386 33.216 31.823 0.013 0.000 0.982 7 V HN 0.366 nan 8.190 nan 0.000 0.451 8 F N 0.836 120.787 119.950 0.003 0.000 2.611 8 F HA 0.523 5.050 4.527 -0.000 0.000 0.374 8 F C 1.084 176.886 175.800 0.004 0.000 1.110 8 F CA -0.674 57.328 58.000 0.003 0.000 1.090 8 F CB 0.222 39.223 39.000 0.002 0.000 1.388 8 F HN 0.531 nan 8.300 nan 0.000 0.501 9 D N 0.321 120.871 120.400 0.249 0.000 3.386 9 D HA -0.262 4.379 4.640 0.001 0.000 0.179 9 D C 1.526 177.875 176.300 0.081 0.000 1.267 9 D CA 1.575 55.652 54.000 0.129 0.000 0.931 9 D CB -0.058 40.804 40.800 0.103 0.000 0.533 9 D HN 0.585 nan 8.370 nan 0.000 0.543 10 E N -0.127 120.108 120.200 0.060 0.000 2.171 10 E HA -0.208 4.142 4.350 0.001 0.000 0.197 10 E C 1.941 178.566 176.600 0.041 0.000 0.997 10 E CA 1.476 57.901 56.400 0.042 0.000 0.810 10 E CB -0.493 29.227 29.700 0.032 0.000 0.738 10 E HN 0.463 nan 8.360 nan 0.000 0.467 11 A N 1.616 124.468 122.820 0.054 0.000 1.873 11 A HA -0.202 4.118 4.320 0.001 0.000 0.218 11 A C 2.467 180.076 177.584 0.042 0.000 1.193 11 A CA 2.601 54.669 52.037 0.050 0.000 0.629 11 A CB -0.778 18.263 19.000 0.069 0.000 0.826 11 A HN 0.312 nan 8.150 nan 0.000 0.447 12 A N -0.245 122.602 122.820 0.045 0.000 1.845 12 A HA -0.182 4.138 4.320 0.001 0.000 0.215 12 A C 2.225 179.817 177.584 0.015 0.000 1.195 12 A CA 1.647 53.696 52.037 0.020 0.000 0.616 12 A CB -0.602 18.398 19.000 0.001 0.000 0.832 12 A HN 0.565 nan 8.150 nan 0.000 0.443 13 R N -1.080 119.432 120.500 0.018 0.000 2.103 13 R HA -0.142 4.199 4.340 0.001 0.000 0.242 13 R C 2.341 178.650 176.300 0.014 0.000 1.142 13 R CA 1.421 57.529 56.100 0.014 0.000 0.960 13 R CB -0.373 29.937 30.300 0.017 0.000 0.858 13 R HN 0.309 nan 8.270 nan 0.000 0.439 14 R N 0.662 121.172 120.500 0.017 0.000 2.073 14 R HA -0.026 4.315 4.340 0.001 0.000 0.234 14 R C 2.276 178.584 176.300 0.013 0.000 1.134 14 R CA 1.592 57.700 56.100 0.015 0.000 0.952 14 R CB -1.097 29.213 30.300 0.017 0.000 0.850 14 R HN 0.278 nan 8.270 nan 0.000 0.433 15 A N 1.512 124.341 122.820 0.015 0.000 1.859 15 A HA -0.159 4.161 4.320 0.001 0.000 0.217 15 A C 2.450 180.040 177.584 0.010 0.000 1.198 15 A CA 1.492 53.537 52.037 0.014 0.000 0.629 15 A CB -0.845 18.166 19.000 0.018 0.000 0.830 15 A HN 0.211 nan 8.150 nan 0.000 0.446 16 L N -0.920 120.308 121.223 0.008 0.000 1.997 16 L HA -0.299 4.041 4.340 0.001 0.000 0.216 16 L C 2.753 179.626 176.870 0.004 0.000 1.074 16 L CA 2.236 57.079 54.840 0.005 0.000 0.763 16 L CB -0.725 41.336 42.059 0.003 0.000 0.890 16 L HN 0.669 nan 8.230 nan 0.000 0.434 17 E N 0.264 120.467 120.200 0.006 0.000 2.097 17 E HA -0.285 4.065 4.350 0.001 0.000 0.196 17 E C 2.328 178.930 176.600 0.004 0.000 1.000 17 E CA 1.463 57.866 56.400 0.005 0.000 0.804 17 E CB 0.010 29.715 29.700 0.007 0.000 0.740 17 E HN 0.307 nan 8.360 nan 0.000 0.454 18 R N -0.560 119.943 120.500 0.004 0.000 2.091 18 R HA -0.138 4.203 4.340 0.001 0.000 0.238 18 R C 2.475 178.775 176.300 -0.000 0.000 1.136 18 R CA 1.309 57.411 56.100 0.003 0.000 0.959 18 R CB -0.512 29.790 30.300 0.004 0.000 0.856 18 R HN 0.327 nan 8.270 nan 0.000 0.437 19 G N 0.109 108.909 108.800 -0.001 0.000 2.414 19 G HA2 -0.211 3.749 3.960 0.001 0.000 0.215 19 G HA3 -0.211 3.749 3.960 0.001 0.000 0.215 19 G C 1.454 176.352 174.900 -0.003 0.000 1.188 19 G CA 0.814 45.911 45.100 -0.004 0.000 0.783 19 G HN 0.138 nan 8.290 nan 0.000 0.537 20 V N 1.910 121.824 119.914 -0.001 0.000 2.250 20 V HA -0.291 3.830 4.120 0.001 0.000 0.250 20 V C 2.691 178.785 176.094 -0.001 0.000 1.060 20 V CA 2.121 64.421 62.300 -0.000 0.000 1.030 20 V CB -0.555 31.269 31.823 0.001 0.000 0.643 20 V HN 0.368 nan 8.190 nan 0.000 0.445 21 N N 0.196 118.896 118.700 0.000 0.000 2.166 21 N HA -0.131 4.610 4.740 0.001 0.000 0.186 21 N C 1.948 177.457 175.510 -0.002 0.000 1.019 21 N CA 1.605 54.654 53.050 0.000 0.000 0.856 21 N CB -0.462 38.026 38.487 0.001 0.000 0.993 21 N HN 0.519 nan 8.380 nan 0.000 0.426 22 A N 1.245 124.062 122.820 -0.004 0.000 1.869 22 A HA -0.163 4.157 4.320 0.001 0.000 0.218 22 A C 2.588 180.168 177.584 -0.007 0.000 1.203 22 A CA 1.945 53.978 52.037 -0.006 0.000 0.638 22 A CB -1.002 17.992 19.000 -0.009 0.000 0.831 22 A HN 0.111 nan 8.150 nan 0.000 0.450 23 V N -0.312 119.598 119.914 -0.007 0.000 2.244 23 V HA -0.214 3.906 4.120 0.001 0.000 0.244 23 V C 3.093 179.184 176.094 -0.004 0.000 1.042 23 V CA 2.017 64.313 62.300 -0.007 0.000 1.006 23 V CB -1.453 30.367 31.823 -0.006 0.000 0.641 23 V HN 0.663 nan 8.190 nan 0.000 0.446 24 A N 0.759 123.577 122.820 -0.002 0.000 1.927 24 A HA -0.288 4.033 4.320 0.001 0.000 0.220 24 A C 1.976 179.560 177.584 -0.000 0.000 1.185 24 A CA 2.380 54.417 52.037 -0.000 0.000 0.639 24 A CB -0.750 18.251 19.000 0.001 0.000 0.820 24 A HN 0.641 nan 8.150 nan 0.000 0.451 25 N N -0.111 118.589 118.700 -0.001 0.000 2.457 25 N HA 0.040 4.780 4.740 0.001 0.000 0.180 25 N C 1.663 177.172 175.510 -0.002 0.000 1.050 25 N CA 1.168 54.218 53.050 -0.000 0.000 0.906 25 N CB -0.367 38.120 38.487 -0.001 0.000 0.968 25 N HN 0.523 nan 8.380 nan 0.000 0.445 26 A N 0.449 123.267 122.820 -0.004 0.000 1.935 26 A HA 0.043 4.363 4.320 0.001 0.000 0.214 26 A C 2.400 179.980 177.584 -0.006 0.000 1.178 26 A CA 0.649 52.682 52.037 -0.006 0.000 0.640 26 A CB -0.370 18.624 19.000 -0.009 0.000 0.825 26 A HN 0.053 nan 8.150 nan 0.000 0.447 27 V N 1.541 121.452 119.914 -0.004 0.000 2.255 27 V HA -0.283 3.837 4.120 0.001 0.000 0.243 27 V C 2.497 178.591 176.094 -0.001 0.000 1.038 27 V CA 2.295 64.594 62.300 -0.003 0.000 1.008 27 V CB -0.873 30.949 31.823 -0.002 0.000 0.645 27 V HN 0.836 nan 8.190 nan 0.000 0.449 28 K N 0.689 121.090 120.400 0.001 0.000 2.293 28 K HA -0.184 4.137 4.320 0.001 0.000 0.204 28 K C 1.704 178.307 176.600 0.005 0.000 1.045 28 K CA 1.811 58.100 56.287 0.004 0.000 0.933 28 K CB -0.894 31.610 32.500 0.006 0.000 0.736 28 K HN 0.341 nan 8.250 nan 0.000 0.463 29 V N 2.223 122.139 119.914 0.003 0.000 2.828 29 V HA -0.232 3.888 4.120 0.001 0.000 0.260 29 V C 2.531 178.627 176.094 0.003 0.000 1.101 29 V CA 2.125 64.427 62.300 0.003 0.000 1.123 29 V CB -0.922 30.901 31.823 0.000 0.000 0.704 29 V HN 0.781 nan 8.190 nan 0.000 0.493 30 T N -2.856 111.699 114.554 0.002 0.000 3.039 30 T HA 0.127 4.478 4.350 0.001 0.000 0.250 30 T C 0.795 175.495 174.700 0.001 0.000 1.052 30 T CA -0.229 61.871 62.100 0.001 0.000 1.125 30 T CB -0.191 68.676 68.868 -0.001 0.000 0.908 30 T HN 0.187 nan 8.240 nan 0.000 0.473 31 L N 3.081 124.305 121.223 0.002 0.000 2.693 31 L HA 0.349 4.689 4.340 0.001 0.000 0.292 31 L C 1.004 177.872 176.870 -0.003 0.000 1.243 31 L CA 1.777 56.617 54.840 0.000 0.000 0.903 31 L CB -1.040 41.021 42.059 0.003 0.000 1.160 31 L HN 0.899 nan 8.230 nan 0.000 0.496 32 G N 3.987 112.780 108.800 -0.013 0.000 2.828 32 G HA2 -0.190 3.770 3.960 0.001 0.000 0.463 32 G HA3 -0.190 3.770 3.960 0.001 0.000 0.463 32 G C -1.801 173.080 174.900 -0.030 0.000 1.394 32 G CA -0.225 44.860 45.100 -0.026 0.000 0.862 32 G HN 0.681 nan 8.290 nan 0.000 0.540 33 P HA -0.047 nan 4.420 nan 0.000 0.221 33 P C 1.314 178.596 177.300 -0.030 0.000 1.150 33 P CA 1.075 64.145 63.100 -0.050 0.000 0.800 33 P CB 0.117 31.768 31.700 -0.081 0.000 0.787 34 R N -0.095 120.397 120.500 -0.013 0.000 2.334 34 R HA 0.228 4.569 4.340 0.001 0.000 0.216 34 R C 1.363 177.669 176.300 0.010 0.000 0.905 34 R CA -0.025 56.080 56.100 0.008 0.000 1.064 34 R CB -0.826 29.498 30.300 0.042 0.000 1.046 34 R HN 0.151 nan 8.270 nan 0.000 0.508 35 G N 1.344 110.146 108.800 0.003 0.000 2.562 35 G HA2 0.042 4.002 3.960 0.001 0.000 0.233 35 G HA3 0.042 4.002 3.960 0.001 0.000 0.233 35 G C -0.084 174.816 174.900 0.001 0.000 1.266 35 G CA -0.179 44.923 45.100 0.004 0.000 0.852 35 G HN 0.169 nan 8.290 nan 0.000 0.581 36 R N 0.166 120.667 120.500 0.002 0.000 2.893 36 R HA 0.374 4.714 4.340 0.001 0.000 0.245 36 R C -0.165 176.133 176.300 -0.003 0.000 1.192 36 R CA -0.920 55.180 56.100 -0.001 0.000 1.077 36 R CB 0.893 31.193 30.300 0.001 0.000 1.253 36 R HN 0.525 nan 8.270 nan 0.000 0.505 37 N N -0.289 118.408 118.700 -0.005 0.000 2.487 37 N HA 0.304 5.044 4.740 0.001 0.000 0.292 37 N C -0.936 174.568 175.510 -0.011 0.000 1.108 37 N CA -0.453 52.592 53.050 -0.009 0.000 0.956 37 N CB 1.714 40.195 38.487 -0.009 0.000 1.176 37 N HN 0.086 nan 8.380 nan 0.000 0.484 38 V N 1.110 121.015 119.914 -0.015 0.000 2.617 38 V HA 0.332 4.453 4.120 0.001 0.000 0.298 38 V C 0.151 176.234 176.094 -0.019 0.000 1.048 38 V CA -0.766 61.525 62.300 -0.016 0.000 0.964 38 V CB 1.930 33.741 31.823 -0.019 0.000 1.004 38 V HN 0.307 nan 8.190 nan 0.000 0.466 39 V N 5.884 125.787 119.914 -0.017 0.000 2.334 39 V HA 0.403 4.524 4.120 0.001 0.000 0.281 39 V C -0.203 175.879 176.094 -0.020 0.000 1.016 39 V CA -0.370 61.919 62.300 -0.018 0.000 0.832 39 V CB 1.281 33.096 31.823 -0.014 0.000 0.999 39 V HN 0.587 nan 8.190 nan 0.000 0.439 40 L N 4.526 125.736 121.223 -0.022 0.000 2.264 40 L HA 0.512 4.853 4.340 0.001 0.000 0.289 40 L C 0.521 177.379 176.870 -0.019 0.000 1.044 40 L CA -0.290 54.536 54.840 -0.022 0.000 0.807 40 L CB 1.335 43.378 42.059 -0.027 0.000 1.192 40 L HN 0.649 nan 8.230 nan 0.000 0.425 41 E N 4.058 124.246 120.200 -0.021 0.000 2.344 41 E HA 0.112 4.462 4.350 0.001 0.000 0.270 41 E C -0.829 175.760 176.600 -0.019 0.000 1.021 41 E CA -0.486 55.901 56.400 -0.023 0.000 0.887 41 E CB 0.755 30.437 29.700 -0.031 0.000 0.997 41 E HN 0.289 nan 8.360 nan 0.000 0.429 42 K N 3.562 123.955 120.400 -0.011 0.000 2.164 42 K HA 0.191 4.511 4.320 0.001 0.000 0.258 42 K C 0.651 177.245 176.600 -0.010 0.000 0.951 42 K CA -0.557 55.734 56.287 0.008 0.000 0.844 42 K CB 1.403 33.923 32.500 0.033 0.000 1.099 42 K HN 0.473 nan 8.250 nan 0.000 0.435 43 K N 0.903 121.302 120.400 -0.000 0.000 2.127 43 K HA -0.170 4.151 4.320 0.001 0.000 0.208 43 K C 0.989 177.374 176.600 -0.359 0.000 1.047 43 K CA 1.893 58.096 56.287 -0.141 0.000 0.927 43 K CB -0.075 32.422 32.500 -0.005 0.000 0.716 43 K HN 0.359 nan 8.250 nan 0.000 0.450 44 F N -0.905 119.036 119.950 -0.015 0.000 2.347 44 F HA 0.211 4.739 4.527 0.001 0.000 0.266 44 F C 1.789 177.582 175.800 -0.013 0.000 0.884 44 F CA -0.069 57.922 58.000 -0.014 0.000 1.123 44 F CB -0.691 38.300 39.000 -0.015 0.000 1.098 44 F HN -0.034 nan 8.300 nan 0.000 0.803 45 G N 0.323 109.242 108.800 0.197 0.000 2.468 45 G HA2 0.310 4.271 3.960 0.001 0.000 0.264 45 G HA3 0.310 4.271 3.960 0.001 0.000 0.264 45 G C 0.193 175.124 174.900 0.053 0.000 1.460 45 G CA 0.199 45.359 45.100 0.099 0.000 1.060 45 G HN 0.322 nan 8.290 nan 0.000 0.543 46 S N 0.602 116.322 115.700 0.034 0.000 2.617 46 S HA 0.453 4.924 4.470 0.001 0.000 0.259 46 S C -1.763 172.845 174.600 0.014 0.000 1.301 46 S CA -0.619 57.592 58.200 0.017 0.000 0.984 46 S CB 1.383 64.590 63.200 0.012 0.000 0.954 46 S HN 0.559 nan 8.310 nan 0.000 0.572 47 P HA 0.309 nan 4.420 nan 0.000 0.293 47 P C -0.764 176.534 177.300 -0.004 0.000 1.304 47 P CA -0.469 62.629 63.100 -0.002 0.000 0.767 47 P CB 0.273 31.968 31.700 -0.009 0.000 1.247 48 T N 0.800 115.348 114.554 -0.011 0.000 2.767 48 T HA 0.474 4.825 4.350 0.001 0.000 0.284 48 T C 0.189 174.875 174.700 -0.024 0.000 0.973 48 T CA -0.211 61.877 62.100 -0.020 0.000 0.996 48 T CB -0.163 68.686 68.868 -0.032 0.000 0.927 48 T HN 0.185 nan 8.240 nan 0.000 0.456 49 I N 4.244 124.801 120.570 -0.022 0.000 2.388 49 I HA 0.271 4.442 4.170 0.001 0.000 0.281 49 I C 0.501 176.601 176.117 -0.028 0.000 1.046 49 I CA -0.419 60.868 61.300 -0.021 0.000 1.187 49 I CB 0.859 38.853 38.000 -0.011 0.000 1.351 49 I HN 0.591 nan 8.210 nan 0.000 0.472 50 T N 3.775 118.304 114.554 -0.041 0.000 2.870 50 T HA 0.389 4.740 4.350 0.001 0.000 0.277 50 T C 0.547 175.228 174.700 -0.031 0.000 1.000 50 T CA -0.747 61.320 62.100 -0.055 0.000 0.982 50 T CB 2.308 71.113 68.868 -0.104 0.000 1.249 50 T HN 0.544 nan 8.240 nan 0.000 0.589 51 K N -0.008 120.378 120.400 -0.024 0.000 2.603 51 K HA 0.116 4.436 4.320 0.001 0.000 0.195 51 K C -0.759 175.844 176.600 0.005 0.000 1.213 51 K CA -0.119 56.166 56.287 -0.005 0.000 1.084 51 K CB 0.692 33.196 32.500 0.007 0.000 0.981 51 K HN 0.583 nan 8.250 nan 0.000 0.577 52 D N -0.047 120.343 120.400 -0.016 0.000 2.232 52 D HA 0.135 4.775 4.640 0.001 0.000 0.242 52 D C 0.852 177.149 176.300 -0.006 0.000 1.093 52 D CA 0.092 54.096 54.000 0.007 0.000 0.845 52 D CB 1.737 42.514 40.800 -0.039 0.000 1.124 52 D HN 0.321 nan 8.370 nan 0.000 0.467 53 G N 3.107 111.915 108.800 0.015 0.000 2.739 53 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 53 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 53 G C 1.696 176.597 174.900 0.001 0.000 1.298 53 G CA 2.130 47.234 45.100 0.007 0.000 0.804 53 G HN 0.538 nan 8.290 nan 0.000 0.623 54 V N -0.506 119.415 119.914 0.011 0.000 2.313 54 V HA -0.265 3.856 4.120 0.001 0.000 0.253 54 V C 2.756 178.845 176.094 -0.008 0.000 1.070 54 V CA 2.907 65.211 62.300 0.008 0.000 1.057 54 V CB -1.821 30.015 31.823 0.022 0.000 0.653 54 V HN 0.396 nan 8.190 nan 0.000 0.450 55 T N 0.565 115.103 114.554 -0.027 0.000 2.652 55 T HA -0.173 4.178 4.350 0.001 0.000 0.267 55 T C 1.970 176.646 174.700 -0.041 0.000 1.039 55 T CA 2.048 64.115 62.100 -0.055 0.000 1.153 55 T CB -0.480 68.314 68.868 -0.123 0.000 0.863 55 T HN 0.382 nan 8.240 nan 0.000 0.428 56 V N 1.775 121.668 119.914 -0.036 0.000 2.237 56 V HA -0.169 3.951 4.120 0.001 0.000 0.245 56 V C 2.949 179.031 176.094 -0.018 0.000 1.046 56 V CA 1.737 64.021 62.300 -0.027 0.000 1.007 56 V CB -1.387 30.423 31.823 -0.022 0.000 0.638 56 V HN 0.555 nan 8.190 nan 0.000 0.445 57 A N -0.294 122.518 122.820 -0.013 0.000 1.940 57 A HA -0.338 3.983 4.320 0.001 0.000 0.221 57 A C 2.247 179.825 177.584 -0.009 0.000 1.190 57 A CA 2.483 54.514 52.037 -0.009 0.000 0.647 57 A CB -0.587 18.410 19.000 -0.004 0.000 0.821 57 A HN 0.586 nan 8.150 nan 0.000 0.457 58 K N -0.837 119.558 120.400 -0.009 0.000 2.283 58 K HA -0.080 4.240 4.320 0.001 0.000 0.202 58 K C 1.547 178.141 176.600 -0.011 0.000 1.048 58 K CA 1.052 57.334 56.287 -0.008 0.000 0.948 58 K CB -0.017 32.480 32.500 -0.005 0.000 0.742 58 K HN 0.406 nan 8.250 nan 0.000 0.458 59 E N 0.550 120.741 120.200 -0.015 0.000 2.371 59 E HA -0.020 4.331 4.350 0.001 0.000 0.194 59 E C 0.104 176.693 176.600 -0.018 0.000 1.012 59 E CA 0.272 56.662 56.400 -0.016 0.000 0.860 59 E CB 0.198 29.887 29.700 -0.019 0.000 0.811 59 E HN -0.035 nan 8.360 nan 0.000 0.502 60 V N 2.298 122.202 119.914 -0.017 0.000 2.470 60 V HA 0.056 4.176 4.120 0.001 0.000 0.276 60 V C 0.065 176.147 176.094 -0.021 0.000 1.040 60 V CA 0.121 62.409 62.300 -0.019 0.000 1.008 60 V CB 0.825 32.639 31.823 -0.016 0.000 0.990 60 V HN 0.006 nan 8.190 nan 0.000 0.477 61 E N 4.700 124.885 120.200 -0.026 0.000 2.265 61 E HA 0.528 4.878 4.350 0.001 0.000 0.262 61 E C -1.217 175.357 176.600 -0.043 0.000 0.889 61 E CA -0.390 55.989 56.400 -0.034 0.000 0.789 61 E CB 1.283 30.962 29.700 -0.034 0.000 1.221 61 E HN 0.590 nan 8.360 nan 0.000 0.414 62 L N 3.779 124.972 121.223 -0.050 0.000 2.325 62 L HA 0.411 4.751 4.340 0.001 0.000 0.279 62 L C 1.519 178.334 176.870 -0.091 0.000 1.054 62 L CA -0.397 54.408 54.840 -0.057 0.000 0.804 62 L CB 1.495 43.527 42.059 -0.046 0.000 1.200 62 L HN 0.734 nan 8.230 nan 0.000 0.436 63 E N 1.129 121.279 120.200 -0.084 0.000 2.150 63 E HA -0.182 4.168 4.350 0.001 0.000 0.193 63 E C 0.166 176.673 176.600 -0.155 0.000 0.985 63 E CA 0.636 56.969 56.400 -0.111 0.000 0.814 63 E CB 0.328 29.987 29.700 -0.068 0.000 0.752 63 E HN 0.695 nan 8.360 nan 0.000 0.466 64 D N -0.586 119.754 120.400 -0.101 0.000 2.317 64 D HA -0.017 4.623 4.640 0.001 0.000 0.252 64 D C 0.958 177.205 176.300 -0.087 0.000 1.174 64 D CA 0.019 53.978 54.000 -0.069 0.000 0.866 64 D CB 0.640 41.434 40.800 -0.011 0.000 1.127 64 D HN 0.113 nan 8.370 nan 0.000 0.467 65 H N 3.457 122.524 119.070 -0.005 0.000 2.252 65 H HA -0.180 4.376 4.556 -0.001 0.000 0.292 65 H C 1.827 177.150 175.328 -0.009 0.000 1.082 65 H CA 1.591 57.634 56.048 -0.007 0.000 1.229 65 H CB -0.092 29.666 29.762 -0.008 0.000 1.353 65 H HN 0.486 nan 8.280 nan 0.000 0.488 66 L N 0.567 121.861 121.223 0.118 0.000 2.012 66 L HA -0.187 4.154 4.340 0.001 0.000 0.210 66 L C 2.547 179.433 176.870 0.027 0.000 1.073 66 L CA 1.340 56.213 54.840 0.055 0.000 0.748 66 L CB -0.550 41.533 42.059 0.039 0.000 0.891 66 L HN 0.308 nan 8.230 nan 0.000 0.431 67 E N 0.067 120.277 120.200 0.017 0.000 2.153 67 E HA -0.248 4.103 4.350 0.001 0.000 0.194 67 E C 1.873 178.469 176.600 -0.007 0.000 0.988 67 E CA 1.376 57.777 56.400 0.002 0.000 0.811 67 E CB -0.119 29.578 29.700 -0.005 0.000 0.746 67 E HN 0.411 nan 8.360 nan 0.000 0.466 68 N N 0.889 119.579 118.700 -0.016 0.000 2.142 68 N HA -0.106 4.634 4.740 0.001 0.000 0.186 68 N C 1.667 177.173 175.510 -0.007 0.000 1.023 68 N CA 0.833 53.868 53.050 -0.026 0.000 0.852 68 N CB -0.018 38.433 38.487 -0.059 0.000 0.998 68 N HN 0.080 nan 8.380 nan 0.000 0.424 69 I N -0.172 120.403 120.570 0.008 0.000 2.248 69 I HA -0.218 3.952 4.170 0.001 0.000 0.248 69 I C 2.277 178.396 176.117 0.004 0.000 1.107 69 I CA 1.405 62.712 61.300 0.011 0.000 1.373 69 I CB -0.826 37.184 38.000 0.017 0.000 1.055 69 I HN 0.300 nan 8.210 nan 0.000 0.418 70 G N 0.477 109.279 108.800 0.002 0.000 2.404 70 G HA2 -0.198 3.762 3.960 0.001 0.000 0.215 70 G HA3 -0.198 3.762 3.960 0.001 0.000 0.215 70 G C 1.894 176.793 174.900 -0.002 0.000 1.174 70 G CA 0.757 45.857 45.100 0.000 0.000 0.780 70 G HN 0.488 nan 8.290 nan 0.000 0.537 71 A N 0.049 122.866 122.820 -0.005 0.000 1.940 71 A HA -0.113 4.207 4.320 0.001 0.000 0.219 71 A C 2.419 180.000 177.584 -0.005 0.000 1.176 71 A CA 2.022 54.055 52.037 -0.007 0.000 0.631 71 A CB -0.319 18.674 19.000 -0.012 0.000 0.814 71 A HN 0.351 nan 8.150 nan 0.000 0.446 72 Q N -0.191 119.607 119.800 -0.004 0.000 1.965 72 Q HA -0.085 4.255 4.340 0.001 0.000 0.200 72 Q C 2.263 178.263 176.000 0.000 0.000 0.981 72 Q CA 1.385 57.187 55.803 -0.002 0.000 0.834 72 Q CB -0.760 27.979 28.738 0.001 0.000 0.900 72 Q HN 0.703 nan 8.270 nan 0.000 0.426 73 L N 0.487 121.710 121.223 0.001 0.000 2.064 73 L HA -0.260 4.080 4.340 0.001 0.000 0.216 73 L C 2.482 179.352 176.870 0.001 0.000 1.077 73 L CA 1.003 55.843 54.840 0.001 0.000 0.766 73 L CB -0.622 41.438 42.059 0.001 0.000 0.890 73 L HN 0.180 nan 8.230 nan 0.000 0.435 74 L N -0.390 120.833 121.223 0.001 0.000 2.056 74 L HA -0.176 4.164 4.340 0.001 0.000 0.207 74 L C 2.530 179.401 176.870 0.001 0.000 1.078 74 L CA 1.699 56.539 54.840 0.001 0.000 0.749 74 L CB -0.412 41.647 42.059 0.000 0.000 0.901 74 L HN 0.069 nan 8.230 nan 0.000 0.433 75 K N -0.522 119.878 120.400 0.000 0.000 2.063 75 K HA -0.275 4.046 4.320 0.001 0.000 0.208 75 K C 2.057 178.659 176.600 0.004 0.000 1.048 75 K CA 1.870 58.158 56.287 0.001 0.000 0.928 75 K CB -0.179 32.321 32.500 -0.000 0.000 0.713 75 K HN 0.466 nan 8.250 nan 0.000 0.442 76 E N 0.679 120.881 120.200 0.004 0.000 2.058 76 E HA -0.203 4.147 4.350 0.001 0.000 0.194 76 E C 1.911 178.515 176.600 0.006 0.000 0.997 76 E CA 1.368 57.771 56.400 0.005 0.000 0.801 76 E CB 0.086 29.788 29.700 0.004 0.000 0.746 76 E HN 0.023 nan 8.360 nan 0.000 0.450 77 V N 1.205 121.122 119.914 0.005 0.000 2.324 77 V HA -0.339 3.781 4.120 0.001 0.000 0.250 77 V C 2.424 178.522 176.094 0.007 0.000 1.060 77 V CA 1.995 64.298 62.300 0.005 0.000 1.042 77 V CB -0.892 30.934 31.823 0.005 0.000 0.650 77 V HN 0.487 nan 8.190 nan 0.000 0.450 78 A N 0.557 123.381 122.820 0.007 0.000 1.858 78 A HA -0.231 4.089 4.320 0.001 0.000 0.216 78 A C 2.585 180.176 177.584 0.012 0.000 1.190 78 A CA 2.649 54.691 52.037 0.009 0.000 0.617 78 A CB -0.931 18.074 19.000 0.007 0.000 0.827 78 A HN 0.690 nan 8.150 nan 0.000 0.443 79 S N 0.042 115.749 115.700 0.012 0.000 2.345 79 S HA -0.212 4.258 4.470 0.001 0.000 0.220 79 S C 1.916 176.525 174.600 0.014 0.000 1.031 79 S CA 1.786 59.995 58.200 0.014 0.000 0.996 79 S CB -0.458 62.749 63.200 0.013 0.000 0.882 79 S HN 0.420 nan 8.310 nan 0.000 0.445 80 K N 1.431 121.837 120.400 0.011 0.000 2.286 80 K HA -0.036 4.284 4.320 0.001 0.000 0.203 80 K C 1.894 178.500 176.600 0.010 0.000 1.045 80 K CA 1.937 58.230 56.287 0.010 0.000 0.935 80 K CB -1.107 31.397 32.500 0.008 0.000 0.737 80 K HN 0.518 nan 8.250 nan 0.000 0.460 81 T N -0.183 114.377 114.554 0.010 0.000 2.978 81 T HA -0.037 4.314 4.350 0.001 0.000 0.262 81 T C 1.459 176.166 174.700 0.012 0.000 1.063 81 T CA 1.195 63.301 62.100 0.010 0.000 1.140 81 T CB -0.324 68.550 68.868 0.009 0.000 0.886 81 T HN 0.383 nan 8.240 nan 0.000 0.470 82 N N 1.351 120.061 118.700 0.017 0.000 2.188 82 N HA -0.101 4.639 4.740 0.001 0.000 0.184 82 N C 1.349 176.871 175.510 0.019 0.000 1.018 82 N CA 1.169 54.233 53.050 0.023 0.000 0.858 82 N CB -0.136 38.371 38.487 0.033 0.000 0.989 82 N HN 0.171 nan 8.380 nan 0.000 0.426 83 D N -0.601 119.809 120.400 0.016 0.000 2.097 83 D HA -0.064 4.576 4.640 0.001 0.000 0.197 83 D C 1.778 178.084 176.300 0.010 0.000 0.984 83 D CA 0.852 54.860 54.000 0.014 0.000 0.826 83 D CB -0.320 40.487 40.800 0.013 0.000 0.973 83 D HN 0.094 nan 8.370 nan 0.000 0.460 84 V N 0.019 119.938 119.914 0.008 0.000 3.041 84 V HA 0.079 4.199 4.120 0.001 0.000 0.260 84 V C 1.679 177.776 176.094 0.004 0.000 1.105 84 V CA 1.472 63.776 62.300 0.006 0.000 1.125 84 V CB 0.089 31.915 31.823 0.006 0.000 0.730 84 V HN 0.261 nan 8.190 nan 0.000 0.479 85 A N -1.978 120.844 122.820 0.005 0.000 2.533 85 A HA 0.506 4.826 4.320 0.001 0.000 0.180 85 A C 1.752 179.336 177.584 -0.000 0.000 1.566 85 A CA 0.949 52.987 52.037 0.002 0.000 1.153 85 A CB 0.376 19.376 19.000 0.001 0.000 1.462 85 A HN 1.023 nan 8.150 nan 0.000 0.523 86 G N -0.409 108.394 108.800 0.005 0.000 2.220 86 G HA2 -0.265 3.695 3.960 0.001 0.000 0.269 86 G HA3 -0.265 3.695 3.960 0.001 0.000 0.269 86 G C -0.016 174.885 174.900 0.002 0.000 0.977 86 G CA 1.107 46.209 45.100 0.004 0.000 0.634 86 G HN 0.951 nan 8.290 nan 0.000 0.539 87 D N -2.365 118.036 120.400 0.002 0.000 2.583 87 D HA 0.583 5.223 4.640 0.001 0.000 0.248 87 D C 0.784 177.087 176.300 0.005 0.000 1.209 87 D CA 0.967 54.968 54.000 0.002 0.000 0.848 87 D CB 0.734 41.526 40.800 -0.012 0.000 1.431 87 D HN 1.342 nan 8.370 nan 0.000 0.436 88 G N 0.540 109.343 108.800 0.006 0.000 2.149 88 G HA2 -0.286 3.674 3.960 0.001 0.000 0.235 88 G HA3 -0.286 3.674 3.960 0.001 0.000 0.235 88 G C 0.882 175.786 174.900 0.008 0.000 1.018 88 G CA 1.138 46.240 45.100 0.004 0.000 0.728 88 G HN 0.717 nan 8.290 nan 0.000 0.508 89 T N -2.762 111.801 114.554 0.015 0.000 2.770 89 T HA -0.078 4.273 4.350 0.001 0.000 0.263 89 T C 2.275 176.981 174.700 0.011 0.000 1.039 89 T CA 2.277 64.387 62.100 0.016 0.000 1.142 89 T CB -0.544 68.338 68.868 0.024 0.000 0.868 89 T HN 0.297 nan 8.240 nan 0.000 0.435 90 T N 2.239 116.800 114.554 0.011 0.000 2.652 90 T HA -0.142 4.208 4.350 0.001 0.000 0.267 90 T C 2.264 176.967 174.700 0.005 0.000 1.039 90 T CA 1.999 64.103 62.100 0.007 0.000 1.153 90 T CB -1.139 67.732 68.868 0.006 0.000 0.863 90 T HN 0.479 nan 8.240 nan 0.000 0.428 91 T N 1.885 116.441 114.554 0.003 0.000 2.699 91 T HA -0.122 4.228 4.350 0.001 0.000 0.268 91 T C 2.305 177.007 174.700 0.003 0.000 1.036 91 T CA 1.312 63.414 62.100 0.002 0.000 1.147 91 T CB -0.547 68.320 68.868 -0.000 0.000 0.862 91 T HN 0.465 nan 8.240 nan 0.000 0.446 92 A N 1.036 123.859 122.820 0.004 0.000 1.969 92 A HA -0.077 4.243 4.320 0.001 0.000 0.218 92 A C 2.529 180.116 177.584 0.005 0.000 1.169 92 A CA 1.899 53.939 52.037 0.005 0.000 0.635 92 A CB -1.019 17.985 19.000 0.006 0.000 0.810 92 A HN 0.506 nan 8.150 nan 0.000 0.445 93 T N -0.145 114.412 114.554 0.005 0.000 2.643 93 T HA -0.137 4.213 4.350 0.001 0.000 0.264 93 T C 1.893 176.596 174.700 0.004 0.000 1.045 93 T CA 1.614 63.717 62.100 0.004 0.000 1.155 93 T CB -0.728 68.142 68.868 0.004 0.000 0.863 93 T HN 0.124 nan 8.240 nan 0.000 0.420 94 V N 1.946 121.863 119.914 0.004 0.000 2.231 94 V HA -0.222 3.899 4.120 0.001 0.000 0.250 94 V C 2.592 178.689 176.094 0.005 0.000 1.058 94 V CA 1.849 64.152 62.300 0.005 0.000 1.022 94 V CB -0.904 30.922 31.823 0.005 0.000 0.640 94 V HN 0.426 nan 8.190 nan 0.000 0.445 95 L N -0.178 121.048 121.223 0.005 0.000 2.129 95 L HA -0.211 4.129 4.340 0.001 0.000 0.212 95 L C 2.592 179.465 176.870 0.005 0.000 1.087 95 L CA 1.518 56.361 54.840 0.005 0.000 0.757 95 L CB -0.761 41.301 42.059 0.005 0.000 0.896 95 L HN 0.395 nan 8.230 nan 0.000 0.434 96 A N -0.632 122.190 122.820 0.005 0.000 1.872 96 A HA -0.236 4.084 4.320 0.001 0.000 0.214 96 A C 2.273 179.859 177.584 0.005 0.000 1.187 96 A CA 1.475 53.515 52.037 0.005 0.000 0.614 96 A CB -0.509 18.494 19.000 0.004 0.000 0.826 96 A HN 0.443 nan 8.150 nan 0.000 0.442 97 Q N -0.318 119.484 119.800 0.004 0.000 2.045 97 Q HA -0.201 4.139 4.340 0.001 0.000 0.206 97 Q C 2.223 178.226 176.000 0.005 0.000 0.991 97 Q CA 2.075 57.880 55.803 0.004 0.000 0.851 97 Q CB -0.419 28.321 28.738 0.004 0.000 0.911 97 Q HN 0.582 nan 8.270 nan 0.000 0.418 98 A N 1.029 123.852 122.820 0.006 0.000 1.869 98 A HA -0.246 4.074 4.320 0.001 0.000 0.218 98 A C 2.046 179.634 177.584 0.006 0.000 1.203 98 A CA 1.934 53.974 52.037 0.006 0.000 0.638 98 A CB -1.050 17.955 19.000 0.007 0.000 0.831 98 A HN 0.556 nan 8.150 nan 0.000 0.450 99 I N -0.353 120.221 120.570 0.006 0.000 2.264 99 I HA -0.235 3.935 4.170 0.001 0.000 0.248 99 I C 2.309 178.430 176.117 0.006 0.000 1.111 99 I CA 1.267 62.571 61.300 0.006 0.000 1.382 99 I CB -0.399 37.605 38.000 0.006 0.000 1.060 99 I HN 0.185 nan 8.210 nan 0.000 0.418 100 V N 1.780 121.698 119.914 0.006 0.000 2.307 100 V HA -0.249 3.871 4.120 0.001 0.000 0.245 100 V C 2.649 178.747 176.094 0.006 0.000 1.045 100 V CA 2.231 64.534 62.300 0.006 0.000 1.024 100 V CB -0.864 30.962 31.823 0.005 0.000 0.651 100 V HN 0.526 nan 8.190 nan 0.000 0.449 101 R N 0.995 121.499 120.500 0.006 0.000 2.061 101 R HA -0.183 4.157 4.340 0.001 0.000 0.230 101 R C 2.154 178.458 176.300 0.007 0.000 1.140 101 R CA 1.900 58.004 56.100 0.007 0.000 0.940 101 R CB -0.790 29.514 30.300 0.006 0.000 0.839 101 R HN 0.397 nan 8.270 nan 0.000 0.429 102 E N 0.935 121.139 120.200 0.007 0.000 2.171 102 E HA -0.124 4.227 4.350 0.001 0.000 0.197 102 E C 1.873 178.478 176.600 0.007 0.000 0.997 102 E CA 1.931 58.336 56.400 0.007 0.000 0.810 102 E CB -0.566 29.138 29.700 0.007 0.000 0.738 102 E HN 0.582 nan 8.360 nan 0.000 0.467 103 G N -0.128 108.676 108.800 0.007 0.000 2.411 103 G HA2 -0.133 3.827 3.960 0.001 0.000 0.213 103 G HA3 -0.133 3.827 3.960 0.001 0.000 0.213 103 G C 1.586 176.491 174.900 0.008 0.000 1.166 103 G CA 0.438 45.543 45.100 0.008 0.000 0.802 103 G HN 0.290 nan 8.290 nan 0.000 0.533 104 L N 0.336 121.564 121.223 0.008 0.000 2.131 104 L HA -0.075 4.265 4.340 0.001 0.000 0.210 104 L C 2.821 179.697 176.870 0.010 0.000 1.092 104 L CA 1.345 56.191 54.840 0.010 0.000 0.759 104 L CB -0.252 41.812 42.059 0.009 0.000 0.903 104 L HN 0.235 nan 8.230 nan 0.000 0.435 105 K N 0.397 120.802 120.400 0.009 0.000 1.991 105 K HA -0.209 4.111 4.320 0.001 0.000 0.212 105 K C 1.848 178.453 176.600 0.009 0.000 1.049 105 K CA 1.741 58.033 56.287 0.009 0.000 0.932 105 K CB -0.075 32.430 32.500 0.008 0.000 0.717 105 K HN 0.320 nan 8.250 nan 0.000 0.441 106 N N 0.643 119.348 118.700 0.008 0.000 2.272 106 N HA -0.137 4.603 4.740 0.001 0.000 0.185 106 N C 1.794 177.310 175.510 0.010 0.000 1.014 106 N CA 1.103 54.158 53.050 0.008 0.000 0.870 106 N CB -0.132 38.359 38.487 0.008 0.000 0.975 106 N HN 0.078 nan 8.380 nan 0.000 0.433 107 V N 1.333 121.253 119.914 0.011 0.000 2.379 107 V HA -0.095 4.025 4.120 0.001 0.000 0.245 107 V C 2.458 178.560 176.094 0.013 0.000 1.044 107 V CA 1.536 63.844 62.300 0.012 0.000 1.036 107 V CB -0.813 31.018 31.823 0.014 0.000 0.664 107 V HN 0.246 nan 8.190 nan 0.000 0.453 108 A N 0.240 123.067 122.820 0.013 0.000 1.972 108 A HA -0.028 4.292 4.320 0.001 0.000 0.219 108 A C 2.222 179.813 177.584 0.011 0.000 1.169 108 A CA 1.665 53.710 52.037 0.013 0.000 0.635 108 A CB -0.578 18.429 19.000 0.012 0.000 0.810 108 A HN 0.579 nan 8.150 nan 0.000 0.446 109 A N -1.776 121.050 122.820 0.010 0.000 2.239 109 A HA 0.392 4.712 4.320 0.001 0.000 0.209 109 A C 1.764 179.353 177.584 0.008 0.000 1.171 109 A CA 1.259 53.301 52.037 0.008 0.000 0.768 109 A CB -0.997 18.008 19.000 0.008 0.000 0.790 109 A HN 1.851 nan 8.150 nan 0.000 0.478 110 G N -2.247 106.559 108.800 0.010 0.000 2.176 110 G HA2 0.100 4.061 3.960 0.001 0.000 0.232 110 G HA3 0.100 4.061 3.960 0.001 0.000 0.232 110 G C 0.494 175.400 174.900 0.010 0.000 0.986 110 G CA 0.175 45.281 45.100 0.010 0.000 0.643 110 G HN 1.616 nan 8.290 nan 0.000 0.522 111 A N 0.051 122.876 122.820 0.010 0.000 2.483 111 A HA 0.500 4.820 4.320 0.001 0.000 0.238 111 A C 0.567 178.157 177.584 0.010 0.000 1.070 111 A CA 0.780 52.822 52.037 0.009 0.000 0.770 111 A CB 0.171 19.176 19.000 0.009 0.000 1.008 111 A HN 1.147 nan 8.150 nan 0.000 0.497 112 N N 2.788 121.494 118.700 0.010 0.000 2.405 112 N HA 0.194 4.934 4.740 0.001 0.000 0.260 112 N C -1.164 174.352 175.510 0.010 0.000 1.152 112 N CA -1.860 51.196 53.050 0.010 0.000 0.948 112 N CB 0.906 39.398 38.487 0.009 0.000 1.111 112 N HN 0.298 nan 8.380 nan 0.000 0.485 113 P HA -0.193 nan 4.420 nan 0.000 0.216 113 P C 1.386 178.691 177.300 0.008 0.000 1.150 113 P CA 1.220 64.326 63.100 0.010 0.000 0.837 113 P CB 0.316 32.023 31.700 0.011 0.000 0.786 114 L N -0.282 120.946 121.223 0.008 0.000 1.989 114 L HA -0.192 4.148 4.340 0.001 0.000 0.211 114 L C 2.883 179.757 176.870 0.007 0.000 1.071 114 L CA 2.009 56.853 54.840 0.007 0.000 0.749 114 L CB -1.539 40.524 42.059 0.008 0.000 0.890 114 L HN -0.030 nan 8.230 nan 0.000 0.431 115 A N 0.117 122.942 122.820 0.007 0.000 1.902 115 A HA -0.158 4.163 4.320 0.001 0.000 0.217 115 A C 2.284 179.872 177.584 0.007 0.000 1.181 115 A CA 1.360 53.401 52.037 0.007 0.000 0.623 115 A CB -0.725 18.279 19.000 0.007 0.000 0.818 115 A HN 0.364 nan 8.150 nan 0.000 0.443 116 L N -0.759 120.468 121.223 0.007 0.000 2.079 116 L HA -0.251 4.089 4.340 0.001 0.000 0.210 116 L C 2.652 179.526 176.870 0.006 0.000 1.081 116 L CA 2.025 56.869 54.840 0.007 0.000 0.752 116 L CB -0.435 41.629 42.059 0.007 0.000 0.896 116 L HN 0.475 nan 8.230 nan 0.000 0.433 117 K N 0.216 120.620 120.400 0.006 0.000 1.985 117 K HA -0.183 4.137 4.320 0.001 0.000 0.210 117 K C 2.292 178.895 176.600 0.005 0.000 1.047 117 K CA 1.326 57.616 56.287 0.006 0.000 0.932 117 K CB -0.023 32.480 32.500 0.005 0.000 0.716 117 K HN 0.156 nan 8.250 nan 0.000 0.439 118 R N -0.440 120.063 120.500 0.005 0.000 2.113 118 R HA -0.169 4.171 4.340 0.001 0.000 0.244 118 R C 2.436 178.739 176.300 0.005 0.000 1.142 118 R CA 1.615 57.718 56.100 0.005 0.000 0.953 118 R CB -0.714 29.589 30.300 0.005 0.000 0.860 118 R HN 0.416 nan 8.270 nan 0.000 0.438 119 G N 1.133 109.937 108.800 0.006 0.000 2.418 119 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 119 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 119 G C 1.481 176.385 174.900 0.006 0.000 1.158 119 G CA 0.643 45.746 45.100 0.006 0.000 0.771 119 G HN 0.180 nan 8.290 nan 0.000 0.545 120 I N 0.529 121.102 120.570 0.006 0.000 2.226 120 I HA -0.169 4.002 4.170 0.001 0.000 0.245 120 I C 2.778 178.899 176.117 0.006 0.000 1.100 120 I CA 1.330 62.634 61.300 0.006 0.000 1.374 120 I CB -0.325 37.679 38.000 0.006 0.000 1.057 120 I HN 0.274 nan 8.210 nan 0.000 0.413 121 E N 1.119 121.322 120.200 0.005 0.000 2.023 121 E HA -0.250 4.101 4.350 0.001 0.000 0.196 121 E C 2.200 178.803 176.600 0.005 0.000 1.003 121 E CA 1.423 57.827 56.400 0.005 0.000 0.809 121 E CB -0.086 29.617 29.700 0.005 0.000 0.755 121 E HN 0.420 nan 8.360 nan 0.000 0.449 122 K N 0.550 120.954 120.400 0.005 0.000 2.044 122 K HA -0.193 4.127 4.320 0.001 0.000 0.210 122 K C 2.284 178.888 176.600 0.006 0.000 1.049 122 K CA 1.266 57.557 56.287 0.006 0.000 0.927 122 K CB -0.299 32.204 32.500 0.006 0.000 0.713 122 K HN 0.087 nan 8.250 nan 0.000 0.443 123 A N 1.231 124.054 122.820 0.006 0.000 1.908 123 A HA -0.158 4.163 4.320 0.001 0.000 0.218 123 A C 2.446 180.035 177.584 0.007 0.000 1.181 123 A CA 1.775 53.816 52.037 0.007 0.000 0.627 123 A CB -0.779 18.225 19.000 0.007 0.000 0.818 123 A HN 0.101 nan 8.150 nan 0.000 0.445 124 V N -0.046 119.872 119.914 0.006 0.000 2.358 124 V HA -0.268 3.852 4.120 0.001 0.000 0.246 124 V C 2.371 178.469 176.094 0.006 0.000 1.047 124 V CA 2.195 64.498 62.300 0.006 0.000 1.035 124 V CB -0.960 30.867 31.823 0.006 0.000 0.658 124 V HN 0.631 nan 8.190 nan 0.000 0.452 125 E N 0.596 120.800 120.200 0.006 0.000 2.033 125 E HA -0.284 4.066 4.350 0.001 0.000 0.199 125 E C 2.375 178.979 176.600 0.006 0.000 1.011 125 E CA 1.567 57.970 56.400 0.006 0.000 0.815 125 E CB -0.434 29.270 29.700 0.005 0.000 0.755 125 E HN 0.582 nan 8.360 nan 0.000 0.451 126 A N 1.448 124.272 122.820 0.007 0.000 1.917 126 A HA -0.219 4.101 4.320 0.001 0.000 0.219 126 A C 2.397 179.986 177.584 0.008 0.000 1.182 126 A CA 2.087 54.129 52.037 0.007 0.000 0.633 126 A CB -0.768 18.236 19.000 0.007 0.000 0.819 126 A HN 0.328 nan 8.150 nan 0.000 0.448 127 A N -0.723 122.102 122.820 0.008 0.000 1.902 127 A HA 0.025 4.346 4.320 0.001 0.000 0.217 127 A C 2.241 179.830 177.584 0.008 0.000 1.181 127 A CA 1.776 53.819 52.037 0.009 0.000 0.623 127 A CB -0.913 18.093 19.000 0.008 0.000 0.818 127 A HN 0.420 nan 8.150 nan 0.000 0.443 128 V N -0.018 119.900 119.914 0.007 0.000 2.295 128 V HA -0.280 3.841 4.120 0.001 0.000 0.246 128 V C 2.487 178.585 176.094 0.006 0.000 1.049 128 V CA 2.269 64.573 62.300 0.006 0.000 1.024 128 V CB -0.821 31.005 31.823 0.005 0.000 0.648 128 V HN 0.747 nan 8.190 nan 0.000 0.447 129 E N 0.321 120.525 120.200 0.007 0.000 2.097 129 E HA -0.343 4.007 4.350 0.001 0.000 0.196 129 E C 2.174 178.779 176.600 0.008 0.000 1.000 129 E CA 1.870 58.274 56.400 0.007 0.000 0.804 129 E CB -0.052 29.652 29.700 0.007 0.000 0.740 129 E HN 0.477 nan 8.360 nan 0.000 0.454 130 K N 0.550 120.955 120.400 0.009 0.000 2.217 130 K HA -0.061 4.259 4.320 0.001 0.000 0.202 130 K C 1.802 178.408 176.600 0.010 0.000 1.051 130 K CA 0.889 57.182 56.287 0.010 0.000 0.952 130 K CB -0.116 32.391 32.500 0.012 0.000 0.736 130 K HN 0.199 nan 8.250 nan 0.000 0.453 131 I N 0.494 121.070 120.570 0.009 0.000 2.202 131 I HA -0.283 3.887 4.170 0.001 0.000 0.242 131 I C 2.030 178.151 176.117 0.007 0.000 1.091 131 I CA 1.307 62.611 61.300 0.007 0.000 1.368 131 I CB -0.271 37.732 38.000 0.006 0.000 1.058 131 I HN 0.123 nan 8.210 nan 0.000 0.410 132 K N 1.311 121.715 120.400 0.006 0.000 2.009 132 K HA -0.165 4.155 4.320 0.001 0.000 0.210 132 K C 2.305 178.909 176.600 0.007 0.000 1.049 132 K CA 1.643 57.934 56.287 0.006 0.000 0.929 132 K CB -0.458 32.045 32.500 0.005 0.000 0.714 132 K HN 0.293 nan 8.250 nan 0.000 0.440 133 A N 1.295 124.120 122.820 0.008 0.000 2.042 133 A HA -0.172 4.148 4.320 0.001 0.000 0.222 133 A C 1.907 179.497 177.584 0.010 0.000 1.167 133 A CA 1.542 53.584 52.037 0.008 0.000 0.649 133 A CB -0.598 18.408 19.000 0.009 0.000 0.809 133 A HN 0.244 nan 8.150 nan 0.000 0.457 134 L N -1.165 120.064 121.223 0.010 0.000 2.640 134 L HA 0.293 4.633 4.340 0.001 0.000 0.230 134 L C 1.101 177.977 176.870 0.009 0.000 1.123 134 L CA -0.127 54.720 54.840 0.012 0.000 0.900 134 L CB -0.129 41.939 42.059 0.014 0.000 1.146 134 L HN 0.333 nan 8.230 nan 0.000 0.484 135 A N 1.079 123.903 122.820 0.007 0.000 2.440 135 A HA 0.480 4.800 4.320 0.001 0.000 0.251 135 A C -0.207 177.380 177.584 0.005 0.000 1.089 135 A CA 0.130 52.170 52.037 0.005 0.000 0.779 135 A CB 0.179 19.182 19.000 0.004 0.000 1.022 135 A HN 0.193 nan 8.150 nan 0.000 0.492 136 I N 3.487 124.059 120.570 0.004 0.000 2.433 136 I HA 0.295 4.466 4.170 0.001 0.000 0.292 136 I C -2.317 173.802 176.117 0.002 0.000 1.001 136 I CA -2.251 59.051 61.300 0.004 0.000 1.119 136 I CB 2.536 40.538 38.000 0.004 0.000 1.289 136 I HN 0.438 nan 8.210 nan 0.000 0.438 137 P HA 0.089 nan 4.420 nan 0.000 0.271 137 P C -0.811 176.490 177.300 0.002 0.000 1.218 137 P CA -0.255 62.847 63.100 0.002 0.000 0.780 137 P CB 0.640 32.342 31.700 0.003 0.000 0.901 138 V N 3.184 123.099 119.914 0.002 0.000 2.530 138 V HA 0.137 4.257 4.120 0.001 0.000 0.282 138 V C 0.978 177.074 176.094 0.003 0.000 1.048 138 V CA 0.490 62.791 62.300 0.002 0.000 0.997 138 V CB 0.352 32.176 31.823 0.001 0.000 0.987 138 V HN 0.626 nan 8.190 nan 0.000 0.477 139 E N 2.422 122.624 120.200 0.003 0.000 2.789 139 E HA 0.190 4.541 4.350 0.001 0.000 0.217 139 E C -0.660 175.943 176.600 0.005 0.000 0.970 139 E CA -0.129 56.274 56.400 0.004 0.000 1.201 139 E CB 0.809 30.511 29.700 0.004 0.000 1.069 139 E HN 0.999 nan 8.360 nan 0.000 0.499 140 D N -1.009 119.394 120.400 0.005 0.000 2.710 140 D HA 0.055 4.695 4.640 0.001 0.000 0.276 140 D C 0.458 176.763 176.300 0.008 0.000 1.267 140 D CA -0.717 53.287 54.000 0.006 0.000 0.772 140 D CB 0.984 41.786 40.800 0.005 0.000 1.299 140 D HN -0.241 nan 8.370 nan 0.000 0.421 141 R N 0.563 121.069 120.500 0.010 0.000 2.133 141 R HA -0.184 4.157 4.340 0.001 0.000 0.247 141 R C 1.814 178.119 176.300 0.010 0.000 1.151 141 R CA 1.808 57.916 56.100 0.014 0.000 0.971 141 R CB -0.284 30.026 30.300 0.016 0.000 0.866 141 R HN 0.578 nan 8.270 nan 0.000 0.447 142 K N -0.343 120.060 120.400 0.005 0.000 1.984 142 K HA -0.087 4.233 4.320 0.001 0.000 0.209 142 K C 1.992 178.591 176.600 -0.002 0.000 1.046 142 K CA 1.362 57.650 56.287 0.001 0.000 0.934 142 K CB -0.249 32.251 32.500 -0.000 0.000 0.717 142 K HN 0.158 nan 8.250 nan 0.000 0.438 143 A N 1.589 124.408 122.820 -0.001 0.000 1.971 143 A HA -0.218 4.103 4.320 0.001 0.000 0.222 143 A C 2.092 179.673 177.584 -0.005 0.000 1.182 143 A CA 1.803 53.838 52.037 -0.003 0.000 0.649 143 A CB -0.647 18.353 19.000 -0.001 0.000 0.818 143 A HN 0.424 nan 8.150 nan 0.000 0.458 144 I N -1.472 119.098 120.570 -0.001 0.000 2.400 144 I HA -0.157 4.014 4.170 0.001 0.000 0.248 144 I C 2.509 178.623 176.117 -0.005 0.000 1.109 144 I CA 1.392 62.691 61.300 -0.001 0.000 1.425 144 I CB -0.422 37.582 38.000 0.007 0.000 1.094 144 I HN 0.558 nan 8.210 nan 0.000 0.425 145 E N 1.398 121.596 120.200 -0.003 0.000 2.171 145 E HA -0.261 4.090 4.350 0.001 0.000 0.197 145 E C 1.829 178.416 176.600 -0.021 0.000 0.997 145 E CA 1.486 57.882 56.400 -0.008 0.000 0.810 145 E CB 0.145 29.844 29.700 -0.003 0.000 0.738 145 E HN 0.514 nan 8.360 nan 0.000 0.467 146 E N -0.042 120.146 120.200 -0.021 0.000 2.001 146 E HA -0.158 4.192 4.350 0.001 0.000 0.193 146 E C 2.288 178.867 176.600 -0.035 0.000 0.994 146 E CA 1.312 57.695 56.400 -0.029 0.000 0.815 146 E CB -0.179 29.506 29.700 -0.025 0.000 0.770 146 E HN 0.103 nan 8.360 nan 0.000 0.453 147 V N 1.872 121.769 119.914 -0.028 0.000 2.277 147 V HA -0.375 3.745 4.120 0.001 0.000 0.253 147 V C 2.365 178.436 176.094 -0.039 0.000 1.067 147 V CA 2.219 64.501 62.300 -0.030 0.000 1.047 147 V CB -0.895 30.915 31.823 -0.021 0.000 0.649 147 V HN 0.392 nan 8.190 nan 0.000 0.447 148 A N -0.624 122.172 122.820 -0.039 0.000 1.841 148 A HA -0.227 4.093 4.320 0.001 0.000 0.214 148 A C 2.386 179.923 177.584 -0.079 0.000 1.195 148 A CA 2.498 54.503 52.037 -0.054 0.000 0.611 148 A CB -1.206 17.770 19.000 -0.040 0.000 0.835 148 A HN 0.503 nan 8.150 nan 0.000 0.443 149 T N 0.462 114.973 114.554 -0.071 0.000 2.721 149 T HA -0.194 4.156 4.350 0.001 0.000 0.268 149 T C 1.766 176.416 174.700 -0.085 0.000 1.038 149 T CA 1.755 63.805 62.100 -0.083 0.000 1.145 149 T CB -0.482 68.347 68.868 -0.064 0.000 0.858 149 T HN 0.409 nan 8.240 nan 0.000 0.459 150 I N 0.363 120.890 120.570 -0.071 0.000 2.130 150 I HA -0.154 4.017 4.170 0.001 0.000 0.234 150 I C 2.779 178.854 176.117 -0.070 0.000 1.067 150 I CA 1.012 62.271 61.300 -0.069 0.000 1.339 150 I CB -0.505 37.458 38.000 -0.061 0.000 1.073 150 I HN 0.192 nan 8.210 nan 0.000 0.405 151 S N 0.348 116.009 115.700 -0.064 0.000 2.400 151 S HA -0.279 4.192 4.470 0.001 0.000 0.234 151 S C 1.889 176.444 174.600 -0.075 0.000 1.049 151 S CA 1.905 60.068 58.200 -0.061 0.000 1.039 151 S CB -0.224 62.941 63.200 -0.058 0.000 0.856 151 S HN 0.523 nan 8.310 nan 0.000 0.465 152 A N 0.142 122.898 122.820 -0.106 0.000 2.195 152 A HA 0.323 4.643 4.320 0.001 0.000 0.210 152 A C 0.903 178.415 177.584 -0.120 0.000 1.165 152 A CA 0.799 52.751 52.037 -0.141 0.000 0.806 152 A CB -0.443 18.413 19.000 -0.241 0.000 0.847 152 A HN 0.668 nan 8.150 nan 0.000 0.482 153 N N -0.024 118.617 118.700 -0.099 0.000 2.738 153 N HA -0.158 4.583 4.740 0.001 0.000 0.249 153 N C -1.117 174.337 175.510 -0.093 0.000 1.047 153 N CA 1.131 54.131 53.050 -0.084 0.000 0.707 153 N CB -0.843 37.605 38.487 -0.064 0.000 0.937 153 N HN 0.547 nan 8.380 nan 0.000 0.545 154 D N -2.273 118.059 120.400 -0.114 0.000 2.871 154 D HA 0.244 4.884 4.640 0.001 0.000 0.209 154 D C -2.298 173.934 176.300 -0.113 0.000 1.292 154 D CA -1.279 52.651 54.000 -0.116 0.000 0.869 154 D CB 1.583 42.288 40.800 -0.160 0.000 1.663 154 D HN -0.116 nan 8.370 nan 0.000 0.557 155 P HA -0.051 nan 4.420 nan 0.000 0.215 155 P C 0.992 178.257 177.300 -0.059 0.000 1.157 155 P CA 1.106 64.169 63.100 -0.061 0.000 0.863 155 P CB 0.524 32.198 31.700 -0.042 0.000 0.787 156 E N -0.422 119.745 120.200 -0.054 0.000 2.049 156 E HA -0.158 4.192 4.350 0.001 0.000 0.198 156 E C 2.014 178.585 176.600 -0.048 0.000 1.007 156 E CA 1.315 57.698 56.400 -0.028 0.000 0.809 156 E CB -0.905 28.789 29.700 -0.010 0.000 0.749 156 E HN 0.022 nan 8.360 nan 0.000 0.450 157 V N 0.922 120.724 119.914 -0.187 0.000 2.332 157 V HA -0.213 3.908 4.120 0.001 0.000 0.248 157 V C 2.365 178.358 176.094 -0.168 0.000 1.055 157 V CA 2.046 64.110 62.300 -0.394 0.000 1.038 157 V CB -0.940 30.408 31.823 -0.793 0.000 0.651 157 V HN 0.448 nan 8.190 nan 0.000 0.450 158 G N -0.813 107.910 108.800 -0.128 0.000 2.448 158 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 158 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 158 G C 1.611 176.503 174.900 -0.013 0.000 1.127 158 G CA 0.964 46.026 45.100 -0.065 0.000 0.766 158 G HN 0.496 nan 8.290 nan 0.000 0.552 159 K N 0.193 120.592 120.400 -0.001 0.000 1.973 159 K HA 0.064 4.384 4.320 0.001 0.000 0.210 159 K C 2.505 179.140 176.600 0.058 0.000 1.045 159 K CA 0.733 57.036 56.287 0.026 0.000 0.937 159 K CB -0.390 32.126 32.500 0.027 0.000 0.721 159 K HN 0.275 nan 8.250 nan 0.000 0.438 160 L N 1.433 122.713 121.223 0.094 0.000 2.051 160 L HA -0.252 4.088 4.340 0.001 0.000 0.214 160 L C 2.548 179.478 176.870 0.100 0.000 1.076 160 L CA 1.013 55.924 54.840 0.118 0.000 0.758 160 L CB -0.657 41.523 42.059 0.203 0.000 0.890 160 L HN 0.331 nan 8.230 nan 0.000 0.433 161 I N 0.148 120.790 120.570 0.120 0.000 2.286 161 I HA -0.244 3.926 4.170 0.001 0.000 0.248 161 I C 2.806 178.955 176.117 0.053 0.000 1.115 161 I CA 1.587 62.938 61.300 0.085 0.000 1.392 161 I CB -1.398 36.645 38.000 0.072 0.000 1.065 161 I HN 0.209 nan 8.210 nan 0.000 0.418 162 A N 0.734 123.583 122.820 0.048 0.000 1.854 162 A HA -0.175 4.145 4.320 0.001 0.000 0.214 162 A C 2.036 179.659 177.584 0.065 0.000 1.192 162 A CA 1.590 53.653 52.037 0.044 0.000 0.611 162 A CB -0.619 18.399 19.000 0.031 0.000 0.832 162 A HN 0.297 nan 8.150 nan 0.000 0.442 163 D N 0.344 120.791 120.400 0.079 0.000 2.127 163 D HA -0.189 4.451 4.640 0.001 0.000 0.190 163 D C 2.267 178.681 176.300 0.190 0.000 1.000 163 D CA 1.977 56.051 54.000 0.123 0.000 0.839 163 D CB -0.637 40.241 40.800 0.131 0.000 0.955 163 D HN 0.404 nan 8.370 nan 0.000 0.446 164 A N 0.795 123.694 122.820 0.132 0.000 1.851 164 A HA -0.222 4.098 4.320 0.001 0.000 0.216 164 A C 2.224 179.890 177.584 0.136 0.000 1.195 164 A CA 2.473 54.562 52.037 0.088 0.000 0.622 164 A CB -0.792 18.132 19.000 -0.127 0.000 0.831 164 A HN 0.225 nan 8.150 nan 0.000 0.444 165 M N 0.174 119.818 119.600 0.074 0.000 2.108 165 M HA -0.244 4.237 4.480 0.001 0.000 0.257 165 M C 1.891 178.238 176.300 0.080 0.000 1.071 165 M CA 2.584 57.922 55.300 0.062 0.000 1.093 165 M CB -0.538 32.087 32.600 0.041 0.000 1.345 165 M HN 0.644 nan 8.290 nan 0.000 0.403 166 E N -0.014 120.239 120.200 0.089 0.000 2.031 166 E HA -0.216 4.134 4.350 0.001 0.000 0.193 166 E C 0.796 177.443 176.600 0.079 0.000 0.994 166 E CA 1.355 57.798 56.400 0.072 0.000 0.800 166 E CB -0.109 29.628 29.700 0.062 0.000 0.752 166 E HN 0.539 nan 8.360 nan 0.000 0.447 167 K N 0.009 120.490 120.400 0.133 0.000 2.790 167 K HA 0.097 4.418 4.320 0.001 0.000 0.229 167 K C -0.030 176.672 176.600 0.171 0.000 1.040 167 K CA -0.149 56.184 56.287 0.077 0.000 1.211 167 K CB 0.860 33.293 32.500 -0.111 0.000 1.002 167 K HN 0.019 nan 8.250 nan 0.000 0.479 168 V N -1.048 118.956 119.914 0.151 0.000 3.777 168 V HA 0.140 4.260 4.120 0.001 0.000 0.285 168 V C 0.402 176.538 176.094 0.071 0.000 1.668 168 V CA -0.077 62.303 62.300 0.133 0.000 1.178 168 V CB 0.549 32.468 31.823 0.160 0.000 0.962 168 V HN 0.553 nan 8.190 nan 0.000 0.411 169 G N 2.482 111.316 108.800 0.057 0.000 2.825 169 G HA2 -0.269 3.691 3.960 0.001 0.000 0.684 169 G HA3 -0.269 3.691 3.960 0.001 0.000 0.684 169 G C 0.532 175.451 174.900 0.031 0.000 1.528 169 G CA 0.344 45.465 45.100 0.035 0.000 0.963 169 G HN 0.688 nan 8.290 nan 0.000 0.577 170 K N -0.329 120.085 120.400 0.022 0.000 2.360 170 K HA -0.022 4.298 4.320 0.001 0.000 0.201 170 K C 1.466 178.075 176.600 0.015 0.000 1.046 170 K CA 2.020 58.317 56.287 0.017 0.000 0.945 170 K CB 0.140 32.648 32.500 0.013 0.000 0.750 170 K HN 0.634 nan 8.250 nan 0.000 0.464 171 E N 1.126 121.335 120.200 0.016 0.000 2.474 171 E HA 0.072 4.422 4.350 0.001 0.000 0.195 171 E C 0.928 177.537 176.600 0.015 0.000 1.039 171 E CA -0.185 56.223 56.400 0.013 0.000 0.881 171 E CB 0.562 30.269 29.700 0.012 0.000 0.970 171 E HN 0.484 nan 8.360 nan 0.000 0.486 172 G N 1.173 109.986 108.800 0.021 0.000 2.479 172 G HA2 0.320 4.280 3.960 0.001 0.000 0.275 172 G HA3 0.320 4.280 3.960 0.001 0.000 0.275 172 G C -0.125 174.782 174.900 0.012 0.000 1.421 172 G CA -0.340 44.775 45.100 0.025 0.000 1.059 172 G HN 0.071 nan 8.290 nan 0.000 0.535 173 I N -0.070 120.503 120.570 0.006 0.000 2.548 173 I HA 0.328 4.498 4.170 0.001 0.000 0.287 173 I C -0.820 175.275 176.117 -0.037 0.000 1.103 173 I CA -0.353 60.938 61.300 -0.015 0.000 1.049 173 I CB 2.070 40.059 38.000 -0.019 0.000 1.232 173 I HN 0.205 nan 8.210 nan 0.000 0.429 174 I N 4.931 125.474 120.570 -0.046 0.000 2.603 174 I HA 0.528 4.698 4.170 0.001 0.000 0.300 174 I C -0.339 175.729 176.117 -0.081 0.000 1.017 174 I CA -0.462 60.791 61.300 -0.078 0.000 1.098 174 I CB 2.361 40.323 38.000 -0.064 0.000 1.279 174 I HN 0.395 nan 8.210 nan 0.000 0.437 175 T N 4.058 118.544 114.554 -0.113 0.000 2.893 175 T HA 0.457 4.807 4.350 0.001 0.000 0.293 175 T C -0.667 173.948 174.700 -0.141 0.000 1.027 175 T CA -0.446 61.590 62.100 -0.106 0.000 0.988 175 T CB 2.271 71.078 68.868 -0.100 0.000 1.043 175 T HN 0.190 nan 8.240 nan 0.000 0.461 176 V N 3.315 123.155 119.914 -0.123 0.000 2.370 176 V HA 0.533 4.653 4.120 0.001 0.000 0.279 176 V C 0.081 176.096 176.094 -0.130 0.000 1.029 176 V CA -0.562 61.639 62.300 -0.165 0.000 0.870 176 V CB 1.312 33.062 31.823 -0.122 0.000 0.984 176 V HN 0.840 nan 8.190 nan 0.000 0.451 177 E N 2.156 122.261 120.200 -0.159 0.000 2.392 177 E HA 0.421 4.771 4.350 0.001 0.000 0.269 177 E C -0.961 175.572 176.600 -0.111 0.000 0.924 177 E CA -0.882 55.450 56.400 -0.113 0.000 0.784 177 E CB 2.572 32.208 29.700 -0.106 0.000 1.292 177 E HN 0.721 nan 8.360 nan 0.000 0.447 178 E N 1.434 121.590 120.200 -0.073 0.000 1.941 178 E HA 0.119 4.469 4.350 0.001 0.000 0.275 178 E C -0.356 176.210 176.600 -0.057 0.000 1.113 178 E CA -0.176 56.190 56.400 -0.056 0.000 0.878 178 E CB 0.672 30.352 29.700 -0.033 0.000 1.070 178 E HN 0.374 nan 8.360 nan 0.000 0.399 179 S N 3.484 119.143 115.700 -0.068 0.000 2.658 179 S HA 0.040 4.510 4.470 0.001 0.000 0.249 179 S C 0.957 175.534 174.600 -0.037 0.000 1.363 179 S CA 0.065 58.230 58.200 -0.058 0.000 0.964 179 S CB 0.594 63.756 63.200 -0.062 0.000 0.973 179 S HN 0.497 nan 8.310 nan 0.000 0.588 180 K N 0.133 120.514 120.400 -0.031 0.000 2.436 180 K HA 0.193 4.513 4.320 0.001 0.000 0.198 180 K C 1.000 177.591 176.600 -0.015 0.000 1.174 180 K CA 0.395 56.669 56.287 -0.021 0.000 0.951 180 K CB -0.333 32.155 32.500 -0.021 0.000 1.040 180 K HN 0.711 nan 8.250 nan 0.000 0.536 181 S N 0.411 116.101 115.700 -0.016 0.000 2.634 181 S HA 0.253 4.723 4.470 0.001 0.000 0.261 181 S C 1.467 176.063 174.600 -0.005 0.000 1.271 181 S CA -0.528 57.666 58.200 -0.010 0.000 0.985 181 S CB 0.575 63.769 63.200 -0.010 0.000 0.968 181 S HN 0.070 nan 8.310 nan 0.000 0.568 182 L N -0.327 120.896 121.223 -0.000 0.000 2.291 182 L HA 0.174 4.515 4.340 0.001 0.000 0.214 182 L C 1.407 178.283 176.870 0.010 0.000 1.120 182 L CA 0.886 55.729 54.840 0.006 0.000 0.799 182 L CB -0.412 41.652 42.059 0.007 0.000 0.925 182 L HN 0.765 nan 8.230 nan 0.000 0.446 183 E N -0.251 119.952 120.200 0.006 0.000 2.242 183 E HA 0.197 4.548 4.350 0.001 0.000 0.275 183 E C -0.642 175.958 176.600 -0.000 0.000 1.002 183 E CA -0.493 55.913 56.400 0.010 0.000 0.841 183 E CB 1.346 31.051 29.700 0.009 0.000 1.109 183 E HN -0.105 nan 8.360 nan 0.000 0.394 184 T N 3.260 117.820 114.554 0.010 0.000 2.889 184 T HA 0.273 4.623 4.350 0.001 0.000 0.291 184 T C -0.644 174.036 174.700 -0.034 0.000 0.995 184 T CA -0.407 61.680 62.100 -0.022 0.000 1.092 184 T CB 0.846 69.730 68.868 0.027 0.000 0.954 184 T HN 0.410 nan 8.240 nan 0.000 0.506 185 E N 1.165 121.317 120.200 -0.080 0.000 2.317 185 E HA 0.526 4.876 4.350 0.001 0.000 0.270 185 E C -1.379 175.151 176.600 -0.116 0.000 0.885 185 E CA -0.998 55.361 56.400 -0.068 0.000 0.760 185 E CB 2.199 31.868 29.700 -0.053 0.000 1.227 185 E HN 0.244 nan 8.360 nan 0.000 0.434 186 L N 2.173 123.341 121.223 -0.092 0.000 2.296 186 L HA 0.496 4.836 4.340 0.001 0.000 0.286 186 L C -1.356 175.425 176.870 -0.147 0.000 1.023 186 L CA -0.128 54.613 54.840 -0.164 0.000 0.812 186 L CB 0.616 42.599 42.059 -0.127 0.000 1.223 186 L HN 0.433 nan 8.230 nan 0.000 0.421 187 K N 4.861 125.110 120.400 -0.252 0.000 2.498 187 K HA 0.527 4.848 4.320 0.001 0.000 0.254 187 K C -1.559 174.885 176.600 -0.260 0.000 0.933 187 K CA -0.460 55.749 56.287 -0.129 0.000 0.806 187 K CB 2.010 34.474 32.500 -0.060 0.000 1.301 187 K HN 0.295 nan 8.250 nan 0.000 0.432 188 F N 0.783 120.711 119.950 -0.035 0.000 2.432 188 F HA 0.476 5.003 4.527 0.001 0.000 0.329 188 F C 0.430 176.208 175.800 -0.038 0.000 1.076 188 F CA -0.875 57.105 58.000 -0.034 0.000 1.018 188 F CB 1.221 40.206 39.000 -0.026 0.000 1.201 188 F HN 0.050 nan 8.300 nan 0.000 0.489 189 V N 0.790 120.782 119.914 0.130 0.000 3.096 189 V HA 0.434 4.554 4.120 0.001 0.000 0.319 189 V C -0.870 175.256 176.094 0.055 0.000 1.103 189 V CA -0.793 61.538 62.300 0.052 0.000 1.016 189 V CB 2.121 33.939 31.823 -0.009 0.000 1.090 189 V HN 0.743 nan 8.190 nan 0.000 0.449 190 E N 0.722 120.934 120.200 0.020 0.000 2.255 190 E HA 0.541 4.892 4.350 0.001 0.000 0.256 190 E C 0.091 176.697 176.600 0.011 0.000 0.887 190 E CA 0.521 56.931 56.400 0.018 0.000 0.782 190 E CB 1.452 31.158 29.700 0.011 0.000 1.214 190 E HN 1.063 nan 8.360 nan 0.000 0.417 191 G N 2.784 111.599 108.800 0.025 0.000 2.542 191 G HA2 -0.331 3.630 3.960 0.001 0.000 0.235 191 G HA3 -0.331 3.630 3.960 0.001 0.000 0.235 191 G C -1.235 173.705 174.900 0.067 0.000 1.286 191 G CA -0.273 44.859 45.100 0.053 0.000 0.904 191 G HN 0.516 nan 8.290 nan 0.000 0.577 192 Y N 2.041 122.335 120.300 -0.011 0.000 2.323 192 Y HA 0.598 5.148 4.550 0.001 0.000 0.331 192 Y C 0.349 176.220 175.900 -0.048 0.000 1.092 192 Y CA 0.381 58.484 58.100 0.006 0.000 1.150 192 Y CB 1.642 40.129 38.460 0.044 0.000 1.200 192 Y HN 1.024 nan 8.280 nan 0.000 0.472 193 Q N 4.869 124.561 119.800 -0.181 0.000 2.386 193 Q HA 0.523 4.863 4.340 0.001 0.000 0.274 193 Q C -2.178 173.720 176.000 -0.169 0.000 1.011 193 Q CA -0.794 54.880 55.803 -0.216 0.000 0.867 193 Q CB 1.378 30.000 28.738 -0.192 0.000 1.409 193 Q HN 0.494 nan 8.270 nan 0.000 0.395 194 F N -1.017 118.939 119.950 0.010 0.000 2.640 194 F HA 0.672 5.200 4.527 0.000 0.000 0.324 194 F C -0.475 175.330 175.800 0.007 0.000 1.077 194 F CA -1.275 56.729 58.000 0.007 0.000 0.965 194 F CB 1.301 40.350 39.000 0.082 0.000 1.351 194 F HN 0.434 nan 8.300 nan 0.000 0.487 195 D N 2.120 122.676 120.400 0.259 0.000 2.896 195 D HA 0.191 4.831 4.640 0.001 0.000 0.240 195 D C -0.477 175.942 176.300 0.199 0.000 1.193 195 D CA 0.182 54.267 54.000 0.142 0.000 0.983 195 D CB 0.221 41.069 40.800 0.080 0.000 1.074 195 D HN 0.275 nan 8.370 nan 0.000 0.496 196 K N 0.145 120.714 120.400 0.282 0.000 2.464 196 K HA 0.612 4.932 4.320 0.001 0.000 0.253 196 K C 0.271 176.955 176.600 0.141 0.000 0.933 196 K CA -0.773 55.674 56.287 0.266 0.000 0.801 196 K CB 2.963 35.721 32.500 0.430 0.000 1.271 196 K HN 0.194 nan 8.250 nan 0.000 0.430 197 G N 0.406 109.241 108.800 0.058 0.000 3.107 197 G HA2 0.450 4.410 3.960 0.001 0.000 0.232 197 G HA3 0.450 4.410 3.960 0.001 0.000 0.232 197 G C -1.043 173.902 174.900 0.076 0.000 1.339 197 G CA -0.527 44.526 45.100 -0.079 0.000 1.033 197 G HN 0.440 nan 8.290 nan 0.000 0.567 198 Y N -0.001 120.389 120.300 0.151 0.000 2.465 198 Y HA 0.392 4.942 4.550 0.001 0.000 0.331 198 Y C 1.374 177.404 175.900 0.218 0.000 1.102 198 Y CA -1.647 56.601 58.100 0.246 0.000 1.358 198 Y CB 0.005 38.639 38.460 0.289 0.000 1.213 198 Y HN 0.264 nan 8.280 nan 0.000 0.525 199 I N 1.505 122.365 120.570 0.484 0.000 2.850 199 I HA -0.164 4.006 4.170 0.001 0.000 0.266 199 I C 0.768 176.977 176.117 0.152 0.000 1.257 199 I CA 1.335 62.818 61.300 0.305 0.000 1.465 199 I CB -0.199 37.981 38.000 0.300 0.000 1.091 199 I HN 0.640 nan 8.210 nan 0.000 0.467 200 S N -0.172 115.534 115.700 0.010 0.000 2.603 200 S HA 0.304 4.775 4.470 0.001 0.000 0.274 200 S C -1.918 172.384 174.600 -0.497 0.000 1.168 200 S CA -1.136 56.884 58.200 -0.300 0.000 0.963 200 S CB 1.666 64.539 63.200 -0.545 0.000 1.078 200 S HN -0.169 nan 8.310 nan 0.000 0.477 201 P HA -0.152 nan 4.420 nan 0.000 0.220 201 P C 0.823 177.713 177.300 -0.683 0.000 1.144 201 P CA 1.236 63.908 63.100 -0.713 0.000 0.800 201 P CB -0.151 31.258 31.700 -0.485 0.000 0.772 202 Y N -0.872 119.159 120.300 -0.449 0.000 2.274 202 Y HA -0.107 4.443 4.550 0.001 0.000 0.290 202 Y C 2.429 178.211 175.900 -0.197 0.000 1.145 202 Y CA 0.898 58.808 58.100 -0.317 0.000 1.203 202 Y CB -1.306 36.963 38.460 -0.319 0.000 0.984 202 Y HN -0.121 nan 8.280 nan 0.000 0.533 203 F N -0.670 119.231 119.950 -0.081 0.000 2.494 203 F HA -0.115 4.412 4.527 0.000 0.000 0.298 203 F C 0.951 176.684 175.800 -0.111 0.000 1.106 203 F CA -0.434 57.525 58.000 -0.068 0.000 1.452 203 F CB -0.404 38.578 39.000 -0.030 0.000 1.085 203 F HN -0.267 nan 8.300 nan 0.000 0.569 204 V N 1.096 120.956 119.914 -0.091 0.000 2.644 204 V HA -0.183 3.938 4.120 0.001 0.000 0.305 204 V C 1.094 177.208 176.094 0.032 0.000 1.053 204 V CA 1.076 63.335 62.300 -0.068 0.000 1.186 204 V CB 0.911 32.641 31.823 -0.155 0.000 0.895 204 V HN 0.247 nan 8.190 nan 0.000 0.490 205 T N 3.056 117.646 114.554 0.061 0.000 3.039 205 T HA 0.058 4.408 4.350 0.001 0.000 0.250 205 T C 0.798 175.524 174.700 0.043 0.000 1.052 205 T CA 0.335 62.469 62.100 0.056 0.000 1.125 205 T CB -0.024 68.880 68.868 0.061 0.000 0.908 205 T HN 0.592 nan 8.240 nan 0.000 0.473 206 N N 1.411 120.139 118.700 0.047 0.000 2.407 206 N HA 0.257 4.997 4.740 0.001 0.000 0.277 206 N C -2.262 173.267 175.510 0.033 0.000 0.995 206 N CA -2.056 51.017 53.050 0.038 0.000 0.903 206 N CB 2.661 41.172 38.487 0.040 0.000 1.218 206 N HN -0.033 nan 8.380 nan 0.000 0.487 207 P HA 0.059 nan 4.420 nan 0.000 0.231 207 P C 0.245 177.555 177.300 0.017 0.000 1.168 207 P CA 0.901 64.009 63.100 0.013 0.000 0.779 207 P CB 0.767 32.472 31.700 0.008 0.000 0.844 208 E N -0.339 119.873 120.200 0.020 0.000 2.340 208 E HA -0.003 4.347 4.350 0.001 0.000 0.194 208 E C 1.351 177.965 176.600 0.024 0.000 0.996 208 E CA 1.240 57.650 56.400 0.018 0.000 0.869 208 E CB 0.039 29.748 29.700 0.015 0.000 0.835 208 E HN 0.316 nan 8.360 nan 0.000 0.493 209 T N -2.402 112.172 114.554 0.033 0.000 3.043 209 T HA 0.129 4.480 4.350 0.001 0.000 0.272 209 T C 0.830 175.570 174.700 0.066 0.000 0.990 209 T CA -0.397 61.726 62.100 0.040 0.000 0.897 209 T CB 0.317 69.206 68.868 0.036 0.000 1.111 209 T HN -0.109 nan 8.240 nan 0.000 0.529 210 M N 1.129 120.777 119.600 0.079 0.000 2.545 210 M HA -0.160 4.320 4.480 0.001 0.000 0.192 210 M C -0.263 176.189 176.300 0.253 0.000 0.512 210 M CA 0.834 56.220 55.300 0.143 0.000 0.508 210 M CB -2.538 30.150 32.600 0.146 0.000 1.844 210 M HN 0.612 nan 8.290 nan 0.000 0.756 211 E N -0.503 119.803 120.200 0.177 0.000 2.239 211 E HA 0.737 5.088 4.350 0.001 0.000 0.261 211 E C 0.085 176.806 176.600 0.202 0.000 1.016 211 E CA -0.326 56.190 56.400 0.193 0.000 0.882 211 E CB 1.480 31.237 29.700 0.095 0.000 1.190 211 E HN 0.346 nan 8.360 nan 0.000 0.415 212 A N 1.585 124.531 122.820 0.209 0.000 2.483 212 A HA 0.392 4.712 4.320 0.001 0.000 0.308 212 A C -0.899 176.745 177.584 0.100 0.000 1.291 212 A CA -0.559 51.581 52.037 0.171 0.000 0.774 212 A CB 0.349 19.504 19.000 0.259 0.000 1.134 212 A HN 0.260 nan 8.150 nan 0.000 0.471 213 V N 3.813 123.767 119.914 0.068 0.000 2.383 213 V HA 0.343 4.464 4.120 0.001 0.000 0.275 213 V C -0.147 175.965 176.094 0.031 0.000 1.036 213 V CA -0.099 62.226 62.300 0.040 0.000 0.889 213 V CB 0.953 32.795 31.823 0.031 0.000 0.985 213 V HN 0.705 nan 8.190 nan 0.000 0.459 214 L N 5.007 126.242 121.223 0.020 0.000 2.324 214 L HA 0.499 4.839 4.340 0.001 0.000 0.274 214 L C 0.191 177.063 176.870 0.003 0.000 1.012 214 L CA -0.520 54.328 54.840 0.013 0.000 0.859 214 L CB 1.223 43.287 42.059 0.008 0.000 1.224 214 L HN 0.547 nan 8.230 nan 0.000 0.429 215 E N 2.102 122.305 120.200 0.004 0.000 2.373 215 E HA -0.017 4.333 4.350 0.001 0.000 0.267 215 E C -0.143 176.447 176.600 -0.017 0.000 1.032 215 E CA -0.168 56.228 56.400 -0.006 0.000 0.889 215 E CB 0.815 30.514 29.700 -0.001 0.000 0.984 215 E HN 0.466 nan 8.360 nan 0.000 0.425 216 D N 1.108 121.484 120.400 -0.040 0.000 3.163 216 D HA -0.212 4.428 4.640 0.001 0.000 0.207 216 D C -1.319 174.924 176.300 -0.094 0.000 1.209 216 D CA 0.966 54.920 54.000 -0.078 0.000 0.905 216 D CB -0.458 40.304 40.800 -0.063 0.000 0.832 216 D HN 0.519 nan 8.370 nan 0.000 0.387 217 A N 2.153 124.902 122.820 -0.120 0.000 2.389 217 A HA 0.807 5.127 4.320 0.001 0.000 0.293 217 A C -0.601 176.847 177.584 -0.227 0.000 1.186 217 A CA -0.758 51.232 52.037 -0.078 0.000 0.828 217 A CB 0.879 19.885 19.000 0.010 0.000 1.369 217 A HN 0.202 nan 8.150 nan 0.000 0.446 218 F N -0.616 119.323 119.950 -0.019 0.000 2.432 218 F HA 0.646 5.173 4.527 0.000 0.000 0.329 218 F C -0.125 175.661 175.800 -0.024 0.000 1.076 218 F CA -0.287 57.701 58.000 -0.020 0.000 1.018 218 F CB 1.652 40.641 39.000 -0.019 0.000 1.201 218 F HN 0.185 nan 8.300 nan 0.000 0.489 219 I N 3.149 123.800 120.570 0.135 0.000 2.389 219 I HA 0.282 4.452 4.170 0.001 0.000 0.288 219 I C -1.137 175.017 176.117 0.063 0.000 0.999 219 I CA -0.471 60.870 61.300 0.068 0.000 1.129 219 I CB 1.616 39.626 38.000 0.016 0.000 1.288 219 I HN 0.285 nan 8.210 nan 0.000 0.444 220 L N 8.555 129.803 121.223 0.041 0.000 2.264 220 L HA 0.546 4.887 4.340 0.001 0.000 0.287 220 L C -0.624 176.242 176.870 -0.007 0.000 1.039 220 L CA 0.084 54.934 54.840 0.017 0.000 0.829 220 L CB 0.217 42.282 42.059 0.010 0.000 1.211 220 L HN 0.408 nan 8.230 nan 0.000 0.427 221 I N 6.447 126.999 120.570 -0.030 0.000 2.310 221 I HA 0.282 4.453 4.170 0.001 0.000 0.287 221 I C -0.617 175.458 176.117 -0.069 0.000 1.073 221 I CA -0.530 60.736 61.300 -0.056 0.000 1.216 221 I CB 0.874 38.825 38.000 -0.081 0.000 1.415 221 I HN 0.238 nan 8.210 nan 0.000 0.480 222 V N 5.992 125.873 119.914 -0.055 0.000 2.398 222 V HA 0.179 4.299 4.120 0.001 0.000 0.286 222 V C 1.002 177.060 176.094 -0.060 0.000 1.026 222 V CA -0.462 61.807 62.300 -0.052 0.000 0.868 222 V CB 1.834 33.640 31.823 -0.027 0.000 0.982 222 V HN 0.763 nan 8.190 nan 0.000 0.443 223 E N 4.623 124.784 120.200 -0.064 0.000 2.001 223 E HA -0.108 4.242 4.350 0.001 0.000 0.193 223 E C 1.103 177.671 176.600 -0.054 0.000 0.994 223 E CA 0.880 57.241 56.400 -0.064 0.000 0.815 223 E CB 0.121 29.786 29.700 -0.058 0.000 0.770 223 E HN 0.785 nan 8.360 nan 0.000 0.453 224 K N 0.946 121.324 120.400 -0.036 0.000 2.170 224 K HA 0.041 4.361 4.320 0.001 0.000 0.241 224 K C 0.251 176.833 176.600 -0.030 0.000 1.071 224 K CA -0.110 56.159 56.287 -0.029 0.000 0.822 224 K CB 0.234 32.727 32.500 -0.012 0.000 1.097 224 K HN -0.129 nan 8.250 nan 0.000 0.522 225 K N -0.467 119.918 120.400 -0.024 0.000 2.155 225 K HA 0.316 4.636 4.320 0.001 0.000 0.237 225 K C -0.840 175.757 176.600 -0.004 0.000 1.040 225 K CA -0.734 55.543 56.287 -0.017 0.000 0.912 225 K CB 1.147 33.638 32.500 -0.016 0.000 1.137 225 K HN 0.278 nan 8.250 nan 0.000 0.498 226 V N 1.742 121.659 119.914 0.006 0.000 2.509 226 V HA 0.065 4.185 4.120 0.001 0.000 0.289 226 V C 0.041 176.147 176.094 0.021 0.000 1.026 226 V CA -0.310 61.998 62.300 0.014 0.000 0.872 226 V CB 1.242 33.076 31.823 0.019 0.000 1.017 226 V HN 0.993 nan 8.190 nan 0.000 0.436 227 S N 2.511 118.221 115.700 0.016 0.000 2.653 227 S HA 0.158 4.628 4.470 0.001 0.000 0.259 227 S C 0.492 175.101 174.600 0.015 0.000 1.076 227 S CA -0.098 58.113 58.200 0.018 0.000 1.051 227 S CB 0.108 63.316 63.200 0.013 0.000 0.994 227 S HN 0.601 nan 8.310 nan 0.000 0.552 228 N N 2.161 120.869 118.700 0.012 0.000 2.406 228 N HA 0.322 5.063 4.740 0.001 0.000 0.251 228 N C 0.964 176.480 175.510 0.010 0.000 1.069 228 N CA -0.162 52.893 53.050 0.009 0.000 0.947 228 N CB 1.188 39.679 38.487 0.007 0.000 1.111 228 N HN 0.018 nan 8.380 nan 0.000 0.497 229 V N 4.424 124.343 119.914 0.009 0.000 2.546 229 V HA -0.273 3.847 4.120 0.001 0.000 0.254 229 V C 2.288 178.384 176.094 0.005 0.000 1.076 229 V CA 1.679 63.984 62.300 0.008 0.000 1.087 229 V CB -0.609 31.218 31.823 0.006 0.000 0.674 229 V HN 0.665 nan 8.190 nan 0.000 0.470 230 R N 0.211 120.713 120.500 0.003 0.000 2.088 230 R HA -0.196 4.144 4.340 0.001 0.000 0.232 230 R C 2.340 178.642 176.300 0.002 0.000 1.136 230 R CA 1.955 58.056 56.100 0.001 0.000 0.926 230 R CB -0.522 29.778 30.300 0.001 0.000 0.837 230 R HN 0.583 nan 8.270 nan 0.000 0.429 231 E N 0.710 120.913 120.200 0.004 0.000 2.208 231 E HA -0.241 4.109 4.350 0.001 0.000 0.202 231 E C 2.101 178.704 176.600 0.005 0.000 1.014 231 E CA 1.259 57.663 56.400 0.006 0.000 0.819 231 E CB -0.193 29.513 29.700 0.010 0.000 0.735 231 E HN 0.337 nan 8.360 nan 0.000 0.469 232 L N 0.270 121.495 121.223 0.004 0.000 2.007 232 L HA -0.176 4.165 4.340 0.001 0.000 0.205 232 L C 2.507 179.373 176.870 -0.006 0.000 1.073 232 L CA 0.707 55.548 54.840 0.001 0.000 0.744 232 L CB -0.554 41.509 42.059 0.006 0.000 0.898 232 L HN 0.161 nan 8.230 nan 0.000 0.435 233 L N -0.082 121.138 121.223 -0.005 0.000 2.077 233 L HA -0.293 4.047 4.340 0.001 0.000 0.231 233 L C -0.210 176.649 176.870 -0.017 0.000 1.100 233 L CA 2.115 56.949 54.840 -0.011 0.000 0.819 233 L CB -2.441 39.613 42.059 -0.008 0.000 0.913 233 L HN 0.259 nan 8.230 nan 0.000 0.446 234 P HA -0.248 nan 4.420 nan 0.000 0.216 234 P C 1.802 179.083 177.300 -0.031 0.000 1.167 234 P CA 2.057 65.145 63.100 -0.019 0.000 0.914 234 P CB -0.106 31.587 31.700 -0.012 0.000 0.793 235 I N -1.056 119.496 120.570 -0.031 0.000 2.202 235 I HA -0.204 3.966 4.170 0.001 0.000 0.242 235 I C 2.759 178.836 176.117 -0.068 0.000 1.091 235 I CA 1.113 62.382 61.300 -0.050 0.000 1.368 235 I CB -0.783 37.194 38.000 -0.039 0.000 1.058 235 I HN -0.156 nan 8.210 nan 0.000 0.410 236 L N 0.546 121.740 121.223 -0.048 0.000 2.089 236 L HA -0.272 4.069 4.340 0.001 0.000 0.213 236 L C 2.551 179.388 176.870 -0.055 0.000 1.079 236 L CA 1.595 56.406 54.840 -0.047 0.000 0.758 236 L CB -0.553 41.490 42.059 -0.025 0.000 0.891 236 L HN 0.348 nan 8.230 nan 0.000 0.433 237 E N -0.604 119.566 120.200 -0.050 0.000 2.021 237 E HA -0.209 4.142 4.350 0.001 0.000 0.189 237 E C 2.155 178.712 176.600 -0.071 0.000 0.980 237 E CA 0.859 57.230 56.400 -0.049 0.000 0.803 237 E CB -0.171 29.508 29.700 -0.036 0.000 0.766 237 E HN 0.552 nan 8.360 nan 0.000 0.449 238 Q N 0.600 120.351 119.800 -0.083 0.000 2.133 238 Q HA -0.192 4.148 4.340 0.001 0.000 0.208 238 Q C 2.353 178.249 176.000 -0.174 0.000 0.991 238 Q CA 1.739 57.475 55.803 -0.111 0.000 0.867 238 Q CB -0.213 28.457 28.738 -0.113 0.000 0.911 238 Q HN 0.154 nan 8.270 nan 0.000 0.417 239 V N 0.516 120.308 119.914 -0.203 0.000 2.488 239 V HA -0.142 3.978 4.120 0.001 0.000 0.246 239 V C 2.224 178.223 176.094 -0.158 0.000 1.046 239 V CA 1.400 63.529 62.300 -0.284 0.000 1.053 239 V CB -0.853 30.806 31.823 -0.274 0.000 0.679 239 V HN 0.371 nan 8.190 nan 0.000 0.458 240 A N -0.612 122.150 122.820 -0.096 0.000 2.024 240 A HA -0.275 4.045 4.320 0.001 0.000 0.220 240 A C 2.135 179.692 177.584 -0.045 0.000 1.164 240 A CA 1.783 53.788 52.037 -0.053 0.000 0.643 240 A CB -0.409 18.569 19.000 -0.038 0.000 0.806 240 A HN 0.646 nan 8.150 nan 0.000 0.451 241 Q N -1.347 118.416 119.800 -0.061 0.000 2.398 241 Q HA -0.025 4.315 4.340 0.001 0.000 0.204 241 Q C 1.542 177.518 176.000 -0.039 0.000 0.932 241 Q CA 1.230 57.007 55.803 -0.044 0.000 0.916 241 Q CB 0.045 28.756 28.738 -0.046 0.000 1.024 241 Q HN 0.655 nan 8.270 nan 0.000 0.504 242 T N -0.824 113.692 114.554 -0.065 0.000 3.023 242 T HA 0.024 4.374 4.350 0.001 0.000 0.266 242 T C 1.348 176.069 174.700 0.034 0.000 1.093 242 T CA 0.901 62.985 62.100 -0.027 0.000 1.129 242 T CB 0.040 68.847 68.868 -0.103 0.000 0.899 242 T HN 0.572 nan 8.240 nan 0.000 0.491 243 G N 1.522 110.334 108.800 0.020 0.000 2.184 243 G HA2 -0.237 3.723 3.960 0.001 0.000 0.264 243 G HA3 -0.237 3.723 3.960 0.001 0.000 0.264 243 G C 0.088 175.030 174.900 0.071 0.000 0.975 243 G CA 0.038 45.161 45.100 0.038 0.000 0.642 243 G HN 0.386 nan 8.290 nan 0.000 0.536 244 K N 0.672 121.145 120.400 0.122 0.000 2.123 244 K HA 0.564 4.884 4.320 0.001 0.000 0.259 244 K C -2.286 174.420 176.600 0.175 0.000 0.960 244 K CA -2.193 54.214 56.287 0.199 0.000 0.872 244 K CB 1.292 34.065 32.500 0.456 0.000 1.079 244 K HN 0.030 nan 8.250 nan 0.000 0.440 245 P HA 0.188 nan 4.420 nan 0.000 0.271 245 P C -0.870 176.515 177.300 0.142 0.000 1.244 245 P CA -0.472 62.685 63.100 0.094 0.000 0.793 245 P CB 0.470 32.203 31.700 0.054 0.000 0.984 246 L N 1.067 122.330 121.223 0.067 0.000 2.455 246 L HA 0.632 4.973 4.340 0.001 0.000 0.264 246 L C -1.915 174.950 176.870 -0.008 0.000 0.968 246 L CA -0.800 54.082 54.840 0.070 0.000 0.827 246 L CB 1.958 44.038 42.059 0.035 0.000 1.317 246 L HN 0.110 nan 8.230 nan 0.000 0.407 247 L N 5.611 126.842 121.223 0.013 0.000 2.333 247 L HA 0.681 5.021 4.340 0.001 0.000 0.280 247 L C -1.313 175.554 176.870 -0.006 0.000 1.004 247 L CA -0.080 54.748 54.840 -0.020 0.000 0.820 247 L CB 1.384 43.451 42.059 0.012 0.000 1.247 247 L HN 0.559 nan 8.230 nan 0.000 0.416 248 I N 6.389 126.939 120.570 -0.033 0.000 2.354 248 I HA 0.412 4.583 4.170 0.001 0.000 0.292 248 I C -0.558 175.572 176.117 0.021 0.000 0.989 248 I CA -0.361 60.934 61.300 -0.008 0.000 1.188 248 I CB 1.469 39.458 38.000 -0.019 0.000 1.342 248 I HN 0.500 nan 8.210 nan 0.000 0.457 249 I N 6.176 126.757 120.570 0.018 0.000 2.411 249 I HA 0.675 4.845 4.170 0.001 0.000 0.284 249 I C -0.106 175.997 176.117 -0.023 0.000 1.012 249 I CA -0.159 61.149 61.300 0.013 0.000 1.119 249 I CB 1.524 39.529 38.000 0.009 0.000 1.261 249 I HN 0.681 nan 8.210 nan 0.000 0.448 250 A N 4.398 127.206 122.820 -0.022 0.000 2.593 250 A HA 0.413 4.733 4.320 0.001 0.000 0.290 250 A C 0.689 178.242 177.584 -0.051 0.000 1.126 250 A CA -0.556 51.459 52.037 -0.037 0.000 0.695 250 A CB 1.495 20.485 19.000 -0.015 0.000 1.290 250 A HN 0.752 nan 8.150 nan 0.000 0.414 251 E N -0.413 119.746 120.200 -0.068 0.000 2.136 251 E HA -0.213 4.138 4.350 0.001 0.000 0.202 251 E C -0.069 176.490 176.600 -0.068 0.000 1.019 251 E CA 2.123 58.466 56.400 -0.095 0.000 0.819 251 E CB 0.089 29.732 29.700 -0.095 0.000 0.739 251 E HN 0.625 nan 8.360 nan 0.000 0.458 252 D N -2.525 117.858 120.400 -0.028 0.000 2.728 252 D HA 0.161 4.801 4.640 0.001 0.000 0.249 252 D C -1.978 174.339 176.300 0.028 0.000 1.225 252 D CA -0.523 53.480 54.000 0.005 0.000 0.748 252 D CB 1.846 42.644 40.800 -0.004 0.000 1.326 252 D HN -0.132 nan 8.370 nan 0.000 0.426 253 V N 3.079 123.029 119.914 0.060 0.000 2.357 253 V HA 0.436 4.556 4.120 0.001 0.000 0.281 253 V C 0.121 176.261 176.094 0.078 0.000 1.015 253 V CA -0.498 61.848 62.300 0.076 0.000 0.827 253 V CB 1.013 32.908 31.823 0.121 0.000 1.018 253 V HN 0.540 nan 8.190 nan 0.000 0.432 254 E N 3.184 123.416 120.200 0.053 0.000 2.493 254 E HA 0.833 5.184 4.350 0.001 0.000 0.243 254 E C 0.701 177.323 176.600 0.035 0.000 0.875 254 E CA -0.387 56.039 56.400 0.044 0.000 0.872 254 E CB 1.239 30.958 29.700 0.031 0.000 1.476 254 E HN 0.754 nan 8.360 nan 0.000 0.394 255 G N 1.170 109.985 108.800 0.026 0.000 2.582 255 G HA2 -0.457 3.503 3.960 0.001 0.000 0.300 255 G HA3 -0.457 3.503 3.960 0.001 0.000 0.300 255 G C 0.817 175.727 174.900 0.017 0.000 1.300 255 G CA 1.105 46.215 45.100 0.018 0.000 0.959 255 G HN 0.865 nan 8.290 nan 0.000 0.548 256 E N 0.088 120.295 120.200 0.013 0.000 2.110 256 E HA 0.044 4.394 4.350 0.001 0.000 0.193 256 E C 2.777 179.388 176.600 0.018 0.000 0.988 256 E CA 1.974 58.380 56.400 0.009 0.000 0.804 256 E CB -0.450 29.253 29.700 0.006 0.000 0.745 256 E HN 1.105 nan 8.360 nan 0.000 0.458 257 A N 1.785 124.620 122.820 0.025 0.000 1.892 257 A HA -0.198 4.122 4.320 0.001 0.000 0.218 257 A C 2.276 179.895 177.584 0.059 0.000 1.188 257 A CA 1.735 53.793 52.037 0.035 0.000 0.631 257 A CB -0.729 18.292 19.000 0.035 0.000 0.822 257 A HN 0.334 nan 8.150 nan 0.000 0.447 258 L N -0.470 120.794 121.223 0.069 0.000 2.027 258 L HA 0.045 4.386 4.340 0.001 0.000 0.206 258 L C 2.673 179.589 176.870 0.078 0.000 1.074 258 L CA 2.181 57.086 54.840 0.109 0.000 0.745 258 L CB -0.907 41.210 42.059 0.097 0.000 0.898 258 L HN 0.344 nan 8.230 nan 0.000 0.433 259 A N -1.127 121.709 122.820 0.028 0.000 1.927 259 A HA -0.274 4.046 4.320 0.001 0.000 0.220 259 A C 2.235 179.817 177.584 -0.003 0.000 1.185 259 A CA 2.581 54.611 52.037 -0.012 0.000 0.639 259 A CB -1.393 17.596 19.000 -0.018 0.000 0.820 259 A HN 0.563 nan 8.150 nan 0.000 0.451 260 T N 0.608 115.175 114.554 0.021 0.000 2.569 260 T HA -0.169 4.182 4.350 0.001 0.000 0.263 260 T C 1.823 176.553 174.700 0.050 0.000 1.074 260 T CA 1.663 63.777 62.100 0.024 0.000 1.176 260 T CB -0.606 68.278 68.868 0.026 0.000 0.863 260 T HN 0.390 nan 8.240 nan 0.000 0.410 261 L N 0.926 122.208 121.223 0.099 0.000 2.089 261 L HA -0.170 4.170 4.340 0.001 0.000 0.213 261 L C 2.662 179.677 176.870 0.243 0.000 1.079 261 L CA 1.039 55.980 54.840 0.168 0.000 0.758 261 L CB -0.945 41.260 42.059 0.244 0.000 0.891 261 L HN 0.162 nan 8.230 nan 0.000 0.433 262 V N -1.111 118.909 119.914 0.176 0.000 2.358 262 V HA -0.214 3.906 4.120 0.001 0.000 0.246 262 V C 2.369 178.440 176.094 -0.038 0.000 1.047 262 V CA 1.538 63.860 62.300 0.038 0.000 1.035 262 V CB -0.306 31.408 31.823 -0.182 0.000 0.658 262 V HN 0.216 nan 8.190 nan 0.000 0.452 263 V N 0.696 120.581 119.914 -0.048 0.000 2.307 263 V HA -0.211 3.909 4.120 0.001 0.000 0.245 263 V C 2.294 178.378 176.094 -0.015 0.000 1.045 263 V CA 2.047 64.312 62.300 -0.058 0.000 1.024 263 V CB -0.866 30.927 31.823 -0.050 0.000 0.651 263 V HN 0.569 nan 8.190 nan 0.000 0.449 264 N N 0.140 118.849 118.700 0.013 0.000 2.188 264 N HA -0.153 4.587 4.740 0.001 0.000 0.184 264 N C 1.942 177.474 175.510 0.037 0.000 1.018 264 N CA 1.000 54.062 53.050 0.021 0.000 0.858 264 N CB -0.247 38.253 38.487 0.023 0.000 0.989 264 N HN 0.331 nan 8.380 nan 0.000 0.426 265 K N 1.938 122.381 120.400 0.073 0.000 2.002 265 K HA -0.027 4.293 4.320 0.001 0.000 0.209 265 K C 2.123 178.767 176.600 0.074 0.000 1.048 265 K CA 0.879 57.228 56.287 0.104 0.000 0.930 265 K CB -0.564 32.073 32.500 0.229 0.000 0.714 265 K HN 0.170 nan 8.250 nan 0.000 0.438 266 L N 0.417 121.668 121.223 0.047 0.000 2.131 266 L HA -0.141 4.200 4.340 0.001 0.000 0.210 266 L C 2.717 179.594 176.870 0.013 0.000 1.092 266 L CA 0.903 55.757 54.840 0.023 0.000 0.759 266 L CB -0.309 41.730 42.059 -0.033 0.000 0.903 266 L HN 0.105 nan 8.230 nan 0.000 0.435 267 R N 0.090 120.594 120.500 0.006 0.000 2.062 267 R HA -0.065 4.275 4.340 0.001 0.000 0.231 267 R C 1.505 177.812 176.300 0.011 0.000 1.136 267 R CA 1.694 57.796 56.100 0.003 0.000 0.948 267 R CB -0.365 29.934 30.300 -0.001 0.000 0.845 267 R HN 0.371 nan 8.270 nan 0.000 0.430 268 G N -3.063 105.748 108.800 0.017 0.000 2.318 268 G HA2 -0.192 3.768 3.960 0.001 0.000 0.172 268 G HA3 -0.192 3.768 3.960 0.001 0.000 0.172 268 G C 0.965 175.874 174.900 0.015 0.000 1.002 268 G CA 0.333 45.444 45.100 0.018 0.000 0.697 268 G HN 0.316 nan 8.290 nan 0.000 0.483 269 T N -0.060 114.501 114.554 0.012 0.000 2.607 269 T HA 0.092 4.442 4.350 0.001 0.000 0.267 269 T C 0.589 175.293 174.700 0.008 0.000 1.049 269 T CA 1.859 63.963 62.100 0.007 0.000 1.162 269 T CB 0.025 68.896 68.868 0.005 0.000 0.863 269 T HN 0.648 nan 8.240 nan 0.000 0.424 270 L N 0.831 122.062 121.223 0.013 0.000 2.493 270 L HA 0.457 4.797 4.340 0.001 0.000 0.265 270 L C -0.764 176.118 176.870 0.020 0.000 0.954 270 L CA -0.741 54.105 54.840 0.011 0.000 0.844 270 L CB 2.044 44.103 42.059 -0.000 0.000 1.302 270 L HN 0.111 nan 8.230 nan 0.000 0.405 271 S N 4.445 120.156 115.700 0.019 0.000 2.411 271 S HA 0.769 5.240 4.470 0.001 0.000 0.294 271 S C -0.231 174.360 174.600 -0.014 0.000 1.115 271 S CA -0.117 58.095 58.200 0.020 0.000 1.071 271 S CB 0.380 63.596 63.200 0.027 0.000 0.967 271 S HN 0.897 nan 8.310 nan 0.000 0.488 272 V N -0.607 119.271 119.914 -0.060 0.000 3.156 272 V HA 1.069 5.189 4.120 0.001 0.000 0.310 272 V C -0.372 175.418 176.094 -0.508 0.000 1.234 272 V CA -0.930 61.253 62.300 -0.196 0.000 1.065 272 V CB 1.065 32.778 31.823 -0.183 0.000 1.088 272 V HN 1.439 nan 8.190 nan 0.000 0.451 273 A N -0.037 122.342 122.820 -0.736 0.000 2.565 273 A HA 0.957 5.277 4.320 0.001 0.000 0.298 273 A C -0.605 176.566 177.584 -0.690 0.000 1.062 273 A CA -0.070 51.233 52.037 -1.223 0.000 0.723 273 A CB 1.133 19.892 19.000 -0.401 0.000 1.282 273 A HN 2.467 nan 8.150 nan 0.000 0.400 274 A N 1.047 123.539 122.820 -0.546 0.000 2.324 274 A HA 0.831 5.152 4.320 0.001 0.000 0.330 274 A C -0.777 176.936 177.584 0.215 0.000 1.165 274 A CA -0.566 51.490 52.037 0.033 0.000 0.813 274 A CB 1.209 20.351 19.000 0.236 0.000 1.197 274 A HN 1.655 nan 8.150 nan 0.000 0.484 275 V N 3.023 123.039 119.914 0.171 0.000 2.733 275 V HA 0.253 4.374 4.120 0.001 0.000 0.306 275 V C -0.161 176.024 176.094 0.152 0.000 1.084 275 V CA -0.930 61.500 62.300 0.217 0.000 0.905 275 V CB 1.995 33.988 31.823 0.283 0.000 1.010 275 V HN 1.010 nan 8.190 nan 0.000 0.424 276 K N 2.433 122.911 120.400 0.130 0.000 2.336 276 K HA 0.522 4.842 4.320 0.001 0.000 0.262 276 K C 0.603 177.170 176.600 -0.055 0.000 0.992 276 K CA 0.091 56.401 56.287 0.039 0.000 0.927 276 K CB 0.543 33.068 32.500 0.040 0.000 0.956 276 K HN 0.870 nan 8.250 nan 0.000 0.495 277 A N 3.356 126.099 122.820 -0.129 0.000 2.536 277 A HA 0.037 4.358 4.320 0.001 0.000 0.234 277 A C -1.227 176.174 177.584 -0.305 0.000 1.076 277 A CA -0.796 51.098 52.037 -0.238 0.000 0.769 277 A CB -0.372 18.514 19.000 -0.190 0.000 1.020 277 A HN 0.600 nan 8.150 nan 0.000 0.508 278 P HA -0.052 nan 4.420 nan 0.000 0.197 278 P C 1.280 178.561 177.300 -0.032 0.000 1.076 278 P CA 1.387 64.263 63.100 -0.374 0.000 0.876 278 P CB -0.387 31.075 31.700 -0.396 0.000 0.705 279 G N -0.949 107.867 108.800 0.027 0.000 2.608 279 G HA2 0.313 4.274 3.960 0.001 0.000 0.212 279 G HA3 0.313 4.274 3.960 0.001 0.000 0.212 279 G C -0.422 174.698 174.900 0.366 0.000 1.572 279 G CA 0.016 45.231 45.100 0.191 0.000 1.064 279 G HN 0.206 nan 8.290 nan 0.000 0.556 280 F N -2.198 117.740 119.950 -0.019 0.000 2.790 280 F HA 0.611 5.139 4.527 0.001 0.000 0.337 280 F C 1.175 176.969 175.800 -0.010 0.000 1.163 280 F CA -0.014 57.980 58.000 -0.011 0.000 0.997 280 F CB 0.833 39.836 39.000 0.004 0.000 1.437 280 F HN 1.015 nan 8.300 nan 0.000 0.512 281 G N 1.111 110.018 108.800 0.178 0.000 2.596 281 G HA2 -0.310 3.650 3.960 0.001 0.000 0.334 281 G HA3 -0.310 3.650 3.960 0.001 0.000 0.334 281 G C 0.516 175.441 174.900 0.041 0.000 1.351 281 G CA 0.761 45.916 45.100 0.093 0.000 0.965 281 G HN 0.631 nan 8.290 nan 0.000 0.533 282 D N 0.807 121.228 120.400 0.035 0.000 2.363 282 D HA -0.019 4.621 4.640 0.001 0.000 0.220 282 D C 2.459 178.766 176.300 0.012 0.000 0.994 282 D CA 0.985 54.994 54.000 0.015 0.000 0.890 282 D CB -0.044 40.764 40.800 0.013 0.000 0.906 282 D HN 0.640 nan 8.370 nan 0.000 0.530 283 R N 1.515 122.032 120.500 0.027 0.000 2.161 283 R HA -0.007 4.333 4.340 0.001 0.000 0.213 283 R C 2.009 178.318 176.300 0.014 0.000 1.055 283 R CA 0.456 56.568 56.100 0.021 0.000 0.996 283 R CB -0.241 30.073 30.300 0.024 0.000 0.901 283 R HN 0.087 nan 8.270 nan 0.000 0.456 284 R N 0.790 121.297 120.500 0.012 0.000 2.236 284 R HA 0.084 4.425 4.340 0.001 0.000 0.208 284 R C 1.340 177.607 176.300 -0.054 0.000 1.036 284 R CA 0.731 56.814 56.100 -0.028 0.000 1.001 284 R CB -0.024 30.243 30.300 -0.055 0.000 0.896 284 R HN 0.176 nan 8.270 nan 0.000 0.464 285 K N 0.815 121.192 120.400 -0.039 0.000 2.044 285 K HA -0.020 4.300 4.320 0.001 0.000 0.204 285 K C 1.843 178.418 176.600 -0.042 0.000 1.049 285 K CA 1.067 57.327 56.287 -0.046 0.000 0.945 285 K CB 0.088 32.568 32.500 -0.033 0.000 0.724 285 K HN 0.170 nan 8.250 nan 0.000 0.440 286 E N 0.590 120.776 120.200 -0.023 0.000 2.204 286 E HA -0.107 4.243 4.350 0.001 0.000 0.194 286 E C 1.892 178.486 176.600 -0.010 0.000 0.989 286 E CA 1.005 57.395 56.400 -0.016 0.000 0.824 286 E CB 0.042 29.740 29.700 -0.004 0.000 0.756 286 E HN 0.367 nan 8.360 nan 0.000 0.477 287 M N -0.037 119.560 119.600 -0.006 0.000 2.288 287 M HA -0.029 4.451 4.480 0.001 0.000 0.266 287 M C 2.290 178.560 176.300 -0.049 0.000 1.072 287 M CA 0.689 56.002 55.300 0.022 0.000 1.132 287 M CB -0.068 32.559 32.600 0.045 0.000 1.386 287 M HN 0.056 nan 8.290 nan 0.000 0.432 288 L N 0.140 121.311 121.223 -0.087 0.000 2.046 288 L HA -0.229 4.111 4.340 0.001 0.000 0.208 288 L C 2.414 179.210 176.870 -0.124 0.000 1.077 288 L CA 1.343 56.109 54.840 -0.124 0.000 0.747 288 L CB -0.605 41.385 42.059 -0.115 0.000 0.896 288 L HN 0.278 nan 8.230 nan 0.000 0.432 289 K N -0.246 120.098 120.400 -0.093 0.000 2.148 289 K HA -0.163 4.157 4.320 0.001 0.000 0.204 289 K C 1.543 178.088 176.600 -0.090 0.000 1.050 289 K CA 1.326 57.561 56.287 -0.087 0.000 0.942 289 K CB -0.137 32.327 32.500 -0.059 0.000 0.724 289 K HN 0.282 nan 8.250 nan 0.000 0.446 290 D N 1.131 121.481 120.400 -0.083 0.000 2.075 290 D HA -0.090 4.550 4.640 0.001 0.000 0.196 290 D C 1.865 178.007 176.300 -0.265 0.000 0.985 290 D CA 0.963 54.914 54.000 -0.081 0.000 0.834 290 D CB -0.239 40.596 40.800 0.059 0.000 0.987 290 D HN 0.056 nan 8.370 nan 0.000 0.452 291 I N 1.097 121.405 120.570 -0.436 0.000 2.185 291 I HA -0.350 3.820 4.170 0.001 0.000 0.246 291 I C 2.360 178.308 176.117 -0.282 0.000 1.088 291 I CA 1.199 62.170 61.300 -0.550 0.000 1.347 291 I CB -0.437 37.346 38.000 -0.363 0.000 1.041 291 I HN -0.033 nan 8.210 nan 0.000 0.415 292 A N 1.191 123.898 122.820 -0.188 0.000 1.837 292 A HA -0.269 4.052 4.320 0.001 0.000 0.216 292 A C 2.586 180.105 177.584 -0.109 0.000 1.210 292 A CA 2.440 54.400 52.037 -0.128 0.000 0.632 292 A CB -1.311 17.621 19.000 -0.113 0.000 0.843 292 A HN 0.444 nan 8.150 nan 0.000 0.448 293 A N -1.222 121.542 122.820 -0.094 0.000 2.093 293 A HA -0.061 4.260 4.320 0.001 0.000 0.222 293 A C 2.120 179.667 177.584 -0.062 0.000 1.162 293 A CA 2.146 54.145 52.037 -0.063 0.000 0.655 293 A CB -0.847 18.127 19.000 -0.043 0.000 0.805 293 A HN 0.530 nan 8.150 nan 0.000 0.461 294 V N -0.417 119.438 119.914 -0.099 0.000 2.649 294 V HA -0.112 4.009 4.120 0.001 0.000 0.248 294 V C 2.641 178.695 176.094 -0.067 0.000 1.054 294 V CA 2.089 64.344 62.300 -0.075 0.000 1.073 294 V CB -0.630 31.123 31.823 -0.116 0.000 0.699 294 V HN 0.811 nan 8.190 nan 0.000 0.463 295 T N -3.400 111.101 114.554 -0.088 0.000 3.037 295 T HA 0.356 4.706 4.350 0.001 0.000 0.251 295 T C 1.650 176.314 174.700 -0.061 0.000 1.079 295 T CA 0.998 63.055 62.100 -0.072 0.000 1.067 295 T CB 0.841 69.665 68.868 -0.075 0.000 0.948 295 T HN 0.771 nan 8.240 nan 0.000 0.496 296 G N 1.018 109.785 108.800 -0.056 0.000 2.258 296 G HA2 -0.111 3.849 3.960 0.001 0.000 0.233 296 G HA3 -0.111 3.849 3.960 0.001 0.000 0.233 296 G C 0.667 175.546 174.900 -0.034 0.000 1.006 296 G CA -0.017 45.059 45.100 -0.040 0.000 0.620 296 G HN 0.976 nan 8.290 nan 0.000 0.511 297 G N -0.432 108.346 108.800 -0.037 0.000 2.661 297 G HA2 0.459 4.420 3.960 0.001 0.000 0.272 297 G HA3 0.459 4.420 3.960 0.001 0.000 0.272 297 G C 0.019 174.886 174.900 -0.054 0.000 1.296 297 G CA 1.093 46.177 45.100 -0.026 0.000 0.998 297 G HN 0.774 nan 8.290 nan 0.000 0.553 298 T N -0.465 114.047 114.554 -0.071 0.000 2.829 298 T HA 0.411 4.762 4.350 0.001 0.000 0.280 298 T C 0.010 174.590 174.700 -0.200 0.000 0.999 298 T CA -0.366 61.651 62.100 -0.140 0.000 0.983 298 T CB 1.759 70.537 68.868 -0.150 0.000 0.968 298 T HN 0.340 nan 8.240 nan 0.000 0.446 299 V N 4.402 124.167 119.914 -0.248 0.000 2.470 299 V HA 0.232 4.353 4.120 0.001 0.000 0.276 299 V C 0.695 176.557 176.094 -0.388 0.000 1.040 299 V CA -0.332 61.820 62.300 -0.246 0.000 1.008 299 V CB 0.337 32.044 31.823 -0.195 0.000 0.990 299 V HN 0.805 nan 8.190 nan 0.000 0.477 300 I N 4.345 124.750 120.570 -0.275 0.000 2.270 300 I HA 0.053 4.223 4.170 0.001 0.000 0.294 300 I C 0.676 176.704 176.117 -0.150 0.000 1.164 300 I CA 0.346 61.496 61.300 -0.250 0.000 1.680 300 I CB -0.270 37.684 38.000 -0.078 0.000 1.494 300 I HN 0.577 nan 8.210 nan 0.000 0.767 301 S N 3.954 119.527 115.700 -0.213 0.000 2.443 301 S HA 0.006 4.476 4.470 0.001 0.000 0.284 301 S C 1.481 176.107 174.600 0.043 0.000 1.206 301 S CA -0.503 57.652 58.200 -0.074 0.000 1.074 301 S CB 0.293 63.446 63.200 -0.079 0.000 0.963 301 S HN 0.677 nan 8.310 nan 0.000 0.501 302 E N 2.506 122.723 120.200 0.029 0.000 2.267 302 E HA -0.254 4.096 4.350 0.001 0.000 0.197 302 E C 0.717 177.350 176.600 0.056 0.000 0.998 302 E CA 1.501 57.931 56.400 0.050 0.000 0.830 302 E CB -0.196 29.517 29.700 0.021 0.000 0.751 302 E HN 0.768 nan 8.360 nan 0.000 0.491 303 E N 0.269 120.496 120.200 0.045 0.000 2.465 303 E HA 0.132 4.483 4.350 0.001 0.000 0.195 303 E C 1.209 177.849 176.600 0.067 0.000 1.028 303 E CA -0.087 56.339 56.400 0.044 0.000 0.899 303 E CB 0.557 30.270 29.700 0.022 0.000 1.032 303 E HN 0.268 nan 8.360 nan 0.000 0.468 304 L N 0.143 121.438 121.223 0.120 0.000 2.701 304 L HA 0.490 4.830 4.340 0.001 0.000 0.238 304 L C 0.869 177.894 176.870 0.259 0.000 1.106 304 L CA 1.046 55.993 54.840 0.178 0.000 0.898 304 L CB 0.715 42.882 42.059 0.181 0.000 1.188 304 L HN 0.251 nan 8.230 nan 0.000 0.508 305 G N -0.117 108.827 108.800 0.241 0.000 2.683 305 G HA2 -0.177 3.784 3.960 0.001 0.000 0.234 305 G HA3 -0.177 3.784 3.960 0.001 0.000 0.234 305 G C -0.570 174.323 174.900 -0.013 0.000 1.135 305 G CA -0.150 45.006 45.100 0.093 0.000 0.975 305 G HN 0.092 nan 8.290 nan 0.000 0.511 306 F N -0.361 119.584 119.950 -0.009 0.000 2.578 306 F HA 0.657 5.184 4.527 0.001 0.000 0.311 306 F C 0.297 176.091 175.800 -0.010 0.000 1.094 306 F CA -0.956 57.038 58.000 -0.009 0.000 0.923 306 F CB 2.208 41.202 39.000 -0.010 0.000 1.230 306 F HN -0.012 nan 8.300 nan 0.000 0.450 307 K N 2.558 123.045 120.400 0.144 0.000 2.244 307 K HA 0.327 4.648 4.320 0.001 0.000 0.260 307 K C 0.475 177.129 176.600 0.090 0.000 0.951 307 K CA -0.782 55.555 56.287 0.083 0.000 0.826 307 K CB 2.337 34.855 32.500 0.029 0.000 1.108 307 K HN 0.557 nan 8.250 nan 0.000 0.433 308 L N 4.421 125.683 121.223 0.066 0.000 2.081 308 L HA -0.236 4.104 4.340 0.001 0.000 0.212 308 L C 1.986 178.877 176.870 0.035 0.000 1.080 308 L CA 2.020 56.889 54.840 0.048 0.000 0.754 308 L CB -0.404 41.672 42.059 0.028 0.000 0.893 308 L HN 0.769 nan 8.230 nan 0.000 0.433 309 E N -1.581 118.634 120.200 0.026 0.000 2.110 309 E HA -0.212 4.139 4.350 0.001 0.000 0.193 309 E C 1.000 177.608 176.600 0.014 0.000 0.988 309 E CA 1.341 57.750 56.400 0.014 0.000 0.804 309 E CB -0.645 29.060 29.700 0.008 0.000 0.745 309 E HN 0.558 nan 8.360 nan 0.000 0.458 310 N N 1.264 119.977 118.700 0.022 0.000 2.362 310 N HA 0.154 4.895 4.740 0.001 0.000 0.204 310 N C -0.121 175.414 175.510 0.042 0.000 1.166 310 N CA 0.453 53.513 53.050 0.017 0.000 0.831 310 N CB 0.494 38.980 38.487 -0.002 0.000 1.008 310 N HN 0.212 nan 8.380 nan 0.000 0.472 311 A N 0.417 123.268 122.820 0.053 0.000 2.366 311 A HA 0.486 4.806 4.320 0.001 0.000 0.249 311 A C 0.559 178.163 177.584 0.034 0.000 1.084 311 A CA 0.220 52.297 52.037 0.067 0.000 0.794 311 A CB 0.397 19.428 19.000 0.051 0.000 1.034 311 A HN 0.155 nan 8.150 nan 0.000 0.491 312 T N 0.626 115.203 114.554 0.039 0.000 2.887 312 T HA 0.447 4.797 4.350 0.001 0.000 0.292 312 T C 1.127 175.826 174.700 -0.002 0.000 1.087 312 T CA -0.723 61.384 62.100 0.013 0.000 1.009 312 T CB 1.125 70.011 68.868 0.029 0.000 1.203 312 T HN 0.397 nan 8.240 nan 0.000 0.518 313 L N 1.061 122.265 121.223 -0.033 0.000 2.291 313 L HA -0.066 4.274 4.340 0.001 0.000 0.214 313 L C 2.764 179.671 176.870 0.062 0.000 1.120 313 L CA 1.159 55.967 54.840 -0.054 0.000 0.799 313 L CB -0.596 41.390 42.059 -0.123 0.000 0.925 313 L HN 0.848 nan 8.230 nan 0.000 0.446 314 S N 0.696 116.428 115.700 0.053 0.000 2.402 314 S HA -0.180 4.291 4.470 0.001 0.000 0.229 314 S C 1.635 176.280 174.600 0.074 0.000 1.021 314 S CA 0.809 59.050 58.200 0.070 0.000 0.974 314 S CB -0.329 62.903 63.200 0.053 0.000 0.800 314 S HN 0.587 nan 8.310 nan 0.000 0.484 315 M N 0.776 120.418 119.600 0.069 0.000 2.723 315 M HA 0.488 4.969 4.480 0.001 0.000 0.270 315 M C -0.543 175.785 176.300 0.047 0.000 1.282 315 M CA -0.087 55.246 55.300 0.055 0.000 0.995 315 M CB -0.294 32.348 32.600 0.069 0.000 1.430 315 M HN 0.088 nan 8.290 nan 0.000 0.477 316 L N 0.973 122.254 121.223 0.097 0.000 2.331 316 L HA 0.762 5.102 4.340 0.001 0.000 0.275 316 L C 0.626 177.564 176.870 0.114 0.000 1.022 316 L CA -0.810 54.115 54.840 0.143 0.000 0.812 316 L CB 1.804 44.048 42.059 0.309 0.000 1.257 316 L HN 0.376 nan 8.230 nan 0.000 0.435 317 G N 1.316 110.156 108.800 0.068 0.000 2.507 317 G HA2 0.535 4.496 3.960 0.001 0.000 0.271 317 G HA3 0.535 4.496 3.960 0.001 0.000 0.271 317 G C -0.828 174.039 174.900 -0.055 0.000 1.189 317 G CA -0.347 44.751 45.100 -0.003 0.000 0.859 317 G HN 0.608 nan 8.290 nan 0.000 0.542 318 R N -0.229 120.198 120.500 -0.121 0.000 2.673 318 R HA 0.655 4.995 4.340 0.001 0.000 0.281 318 R C -1.021 175.185 176.300 -0.158 0.000 0.991 318 R CA -0.485 55.472 56.100 -0.238 0.000 0.896 318 R CB 1.997 32.115 30.300 -0.302 0.000 1.201 318 R HN 0.847 nan 8.270 nan 0.000 0.457 319 A N 1.908 124.631 122.820 -0.162 0.000 2.574 319 A HA 0.223 4.543 4.320 0.001 0.000 0.297 319 A C 0.033 177.560 177.584 -0.095 0.000 1.062 319 A CA -0.646 51.331 52.037 -0.100 0.000 0.686 319 A CB 1.807 20.769 19.000 -0.063 0.000 1.285 319 A HN 0.976 nan 8.150 nan 0.000 0.403 320 E N 0.471 120.632 120.200 -0.066 0.000 2.333 320 E HA -0.052 4.298 4.350 0.001 0.000 0.198 320 E C 0.666 177.240 176.600 -0.042 0.000 1.007 320 E CA 1.101 57.469 56.400 -0.054 0.000 0.845 320 E CB 0.129 29.806 29.700 -0.038 0.000 0.766 320 E HN 0.513 nan 8.360 nan 0.000 0.507 321 R N -1.666 118.812 120.500 -0.037 0.000 2.829 321 R HA 0.321 4.661 4.340 0.001 0.000 0.283 321 R C -2.224 174.063 176.300 -0.021 0.000 1.013 321 R CA -0.583 55.502 56.100 -0.025 0.000 0.848 321 R CB 1.468 31.757 30.300 -0.018 0.000 1.291 321 R HN -0.055 nan 8.270 nan 0.000 0.496 322 V N 2.310 122.216 119.914 -0.014 0.000 2.789 322 V HA 0.476 4.596 4.120 0.001 0.000 0.300 322 V C -0.974 175.117 176.094 -0.005 0.000 1.184 322 V CA -0.767 61.525 62.300 -0.014 0.000 0.930 322 V CB 2.070 33.888 31.823 -0.008 0.000 1.041 322 V HN 0.681 nan 8.190 nan 0.000 0.430 323 R N 4.279 124.768 120.500 -0.018 0.000 2.664 323 R HA 0.838 5.178 4.340 0.001 0.000 0.286 323 R C -1.228 175.063 176.300 -0.015 0.000 0.967 323 R CA -0.712 55.385 56.100 -0.005 0.000 0.933 323 R CB 2.405 32.695 30.300 -0.018 0.000 1.146 323 R HN 0.604 nan 8.270 nan 0.000 0.468 324 I N 1.600 122.190 120.570 0.033 0.000 2.534 324 I HA 0.229 4.399 4.170 0.001 0.000 0.286 324 I C -0.475 175.629 176.117 -0.022 0.000 1.094 324 I CA -0.514 60.799 61.300 0.022 0.000 1.055 324 I CB 2.404 40.490 38.000 0.144 0.000 1.225 324 I HN 0.552 nan 8.210 nan 0.000 0.435 325 T N 3.560 117.988 114.554 -0.209 0.000 2.936 325 T HA 0.203 4.553 4.350 0.001 0.000 0.282 325 T C 1.110 175.327 174.700 -0.805 0.000 1.003 325 T CA -0.803 61.096 62.100 -0.334 0.000 1.005 325 T CB 2.055 70.815 68.868 -0.180 0.000 1.097 325 T HN 0.592 nan 8.240 nan 0.000 0.532 326 K N 0.889 120.826 120.400 -0.772 0.000 2.242 326 K HA -0.205 4.115 4.320 0.001 0.000 0.206 326 K C 0.536 176.886 176.600 -0.416 0.000 1.045 326 K CA 2.051 57.906 56.287 -0.720 0.000 0.930 326 K CB -0.017 32.377 32.500 -0.177 0.000 0.726 326 K HN 0.755 nan 8.250 nan 0.000 0.462 327 D N -1.692 118.538 120.400 -0.284 0.000 2.615 327 D HA 0.052 4.692 4.640 0.001 0.000 0.274 327 D C -0.598 175.645 176.300 -0.095 0.000 1.512 327 D CA -0.274 53.646 54.000 -0.134 0.000 0.803 327 D CB 0.135 40.893 40.800 -0.070 0.000 1.182 327 D HN 0.218 nan 8.370 nan 0.000 0.473 328 E N 0.155 120.265 120.200 -0.149 0.000 2.366 328 E HA 0.462 4.813 4.350 0.001 0.000 0.278 328 E C -1.584 174.898 176.600 -0.198 0.000 0.923 328 E CA -0.388 55.930 56.400 -0.138 0.000 0.761 328 E CB 2.316 31.941 29.700 -0.124 0.000 1.231 328 E HN -0.139 nan 8.360 nan 0.000 0.443 329 T N 2.195 116.543 114.554 -0.343 0.000 2.879 329 T HA 0.432 4.783 4.350 0.001 0.000 0.290 329 T C -1.194 173.200 174.700 -0.510 0.000 0.993 329 T CA -0.526 61.308 62.100 -0.444 0.000 0.975 329 T CB 1.667 70.164 68.868 -0.618 0.000 0.981 329 T HN 0.347 nan 8.240 nan 0.000 0.439 330 T N 3.644 118.038 114.554 -0.268 0.000 2.809 330 T HA 0.483 4.833 4.350 0.001 0.000 0.284 330 T C 0.141 174.788 174.700 -0.088 0.000 0.992 330 T CA -0.519 61.477 62.100 -0.174 0.000 0.957 330 T CB 0.567 69.369 68.868 -0.110 0.000 0.942 330 T HN 0.479 nan 8.240 nan 0.000 0.439 331 I N 3.918 124.472 120.570 -0.027 0.000 2.317 331 I HA 0.215 4.385 4.170 0.001 0.000 0.286 331 I C 0.305 176.438 176.117 0.026 0.000 1.119 331 I CA -0.588 60.721 61.300 0.015 0.000 1.228 331 I CB 0.265 38.298 38.000 0.055 0.000 1.476 331 I HN 0.314 nan 8.210 nan 0.000 0.514 332 V N 4.118 124.033 119.914 0.002 0.000 2.963 332 V HA 0.165 4.285 4.120 0.001 0.000 0.306 332 V C 1.471 177.563 176.094 -0.005 0.000 1.077 332 V CA 0.149 62.450 62.300 0.002 0.000 1.124 332 V CB 0.950 32.768 31.823 -0.008 0.000 0.987 332 V HN 0.993 nan 8.190 nan 0.000 0.487 333 G N 3.181 111.979 108.800 -0.004 0.000 2.412 333 G HA2 -0.154 3.807 3.960 0.001 0.000 0.297 333 G HA3 -0.154 3.807 3.960 0.001 0.000 0.297 333 G C 0.549 175.434 174.900 -0.024 0.000 0.965 333 G CA 0.124 45.216 45.100 -0.014 0.000 1.134 333 G HN 1.473 nan 8.290 nan 0.000 0.511 334 G N -0.456 108.336 108.800 -0.013 0.000 2.432 334 G HA2 0.430 4.390 3.960 0.001 0.000 0.239 334 G HA3 0.430 4.390 3.960 0.001 0.000 0.239 334 G C 0.774 175.652 174.900 -0.036 0.000 1.291 334 G CA -0.466 44.616 45.100 -0.030 0.000 0.863 334 G HN 0.297 nan 8.290 nan 0.000 0.560 335 K N 1.963 122.330 120.400 -0.054 0.000 2.446 335 K HA 0.103 4.423 4.320 0.001 0.000 0.203 335 K C 1.492 178.068 176.600 -0.040 0.000 1.027 335 K CA -0.014 56.243 56.287 -0.050 0.000 1.166 335 K CB 0.340 32.798 32.500 -0.070 0.000 0.869 335 K HN 0.526 nan 8.250 nan 0.000 0.504 336 G N 1.544 110.322 108.800 -0.037 0.000 2.647 336 G HA2 -0.127 3.833 3.960 0.001 0.000 0.234 336 G HA3 -0.127 3.833 3.960 0.001 0.000 0.234 336 G C -0.298 174.590 174.900 -0.021 0.000 1.252 336 G CA -0.269 44.812 45.100 -0.032 0.000 0.846 336 G HN 0.166 nan 8.290 nan 0.000 0.589 337 K N 0.631 121.021 120.400 -0.017 0.000 2.368 337 K HA 0.093 4.413 4.320 0.001 0.000 0.282 337 K C 1.536 178.132 176.600 -0.007 0.000 1.035 337 K CA -0.309 55.972 56.287 -0.011 0.000 0.973 337 K CB 0.662 33.157 32.500 -0.008 0.000 0.957 337 K HN 0.559 nan 8.250 nan 0.000 0.474 338 K N 2.808 123.206 120.400 -0.004 0.000 2.113 338 K HA -0.225 4.095 4.320 0.001 0.000 0.208 338 K C 0.806 177.408 176.600 0.002 0.000 1.047 338 K CA 1.984 58.271 56.287 0.001 0.000 0.928 338 K CB 0.207 32.708 32.500 0.001 0.000 0.716 338 K HN 0.549 nan 8.250 nan 0.000 0.446 339 E N 0.672 120.872 120.200 0.001 0.000 2.150 339 E HA -0.131 4.220 4.350 0.001 0.000 0.193 339 E C 1.403 178.004 176.600 0.001 0.000 0.985 339 E CA 1.386 57.788 56.400 0.002 0.000 0.814 339 E CB -0.065 29.636 29.700 0.002 0.000 0.752 339 E HN 0.374 nan 8.360 nan 0.000 0.466 340 D N -0.074 120.324 120.400 -0.002 0.000 2.144 340 D HA -0.083 4.558 4.640 0.001 0.000 0.200 340 D C 1.679 177.977 176.300 -0.003 0.000 0.978 340 D CA 0.817 54.814 54.000 -0.006 0.000 0.833 340 D CB 0.016 40.808 40.800 -0.014 0.000 0.961 340 D HN 0.158 nan 8.370 nan 0.000 0.470 341 I N 0.703 121.274 120.570 0.002 0.000 2.202 341 I HA -0.201 3.970 4.170 0.001 0.000 0.242 341 I C 2.164 178.290 176.117 0.016 0.000 1.091 341 I CA 1.082 62.389 61.300 0.012 0.000 1.368 341 I CB -0.310 37.701 38.000 0.019 0.000 1.058 341 I HN 0.027 nan 8.210 nan 0.000 0.410 342 E N 1.177 121.384 120.200 0.012 0.000 2.058 342 E HA -0.234 4.117 4.350 0.001 0.000 0.194 342 E C 2.316 178.922 176.600 0.010 0.000 0.997 342 E CA 1.458 57.865 56.400 0.012 0.000 0.801 342 E CB -0.219 29.486 29.700 0.009 0.000 0.746 342 E HN 0.507 nan 8.360 nan 0.000 0.450 343 A N 1.105 123.929 122.820 0.007 0.000 2.019 343 A HA -0.162 4.158 4.320 0.001 0.000 0.219 343 A C 2.067 179.654 177.584 0.006 0.000 1.164 343 A CA 1.283 53.323 52.037 0.005 0.000 0.644 343 A CB -0.254 18.748 19.000 0.003 0.000 0.805 343 A HN -0.026 nan 8.150 nan 0.000 0.449 344 R N 0.025 120.530 120.500 0.008 0.000 2.075 344 R HA 0.148 4.488 4.340 0.001 0.000 0.226 344 R C 1.772 178.083 176.300 0.019 0.000 1.114 344 R CA 1.261 57.367 56.100 0.011 0.000 0.972 344 R CB -0.612 29.696 30.300 0.013 0.000 0.869 344 R HN 0.566 nan 8.270 nan 0.000 0.437 345 I N 0.706 121.289 120.570 0.021 0.000 2.110 345 I HA -0.262 3.908 4.170 0.001 0.000 0.236 345 I C 1.235 177.360 176.117 0.013 0.000 1.068 345 I CA 1.290 62.603 61.300 0.022 0.000 1.333 345 I CB -0.370 37.644 38.000 0.023 0.000 1.054 345 I HN 0.188 nan 8.210 nan 0.000 0.402 346 N N 1.221 119.927 118.700 0.011 0.000 2.651 346 N HA -0.104 4.637 4.740 0.001 0.000 0.193 346 N C 1.569 177.082 175.510 0.006 0.000 1.149 346 N CA 1.119 54.173 53.050 0.007 0.000 0.933 346 N CB -0.247 38.244 38.487 0.007 0.000 0.974 346 N HN 0.481 nan 8.380 nan 0.000 0.448 347 G N 0.602 109.406 108.800 0.007 0.000 2.426 347 G HA2 -0.029 3.932 3.960 0.001 0.000 0.214 347 G HA3 -0.029 3.932 3.960 0.001 0.000 0.214 347 G C 1.628 176.530 174.900 0.003 0.000 1.156 347 G CA -0.061 45.042 45.100 0.005 0.000 0.802 347 G HN 0.221 nan 8.290 nan 0.000 0.534 348 I N 0.331 120.904 120.570 0.005 0.000 2.202 348 I HA -0.106 4.064 4.170 0.001 0.000 0.242 348 I C 2.765 178.882 176.117 -0.001 0.000 1.091 348 I CA 1.015 62.316 61.300 0.001 0.000 1.368 348 I CB -0.195 37.807 38.000 0.004 0.000 1.058 348 I HN 0.092 nan 8.210 nan 0.000 0.410 349 K N 1.141 121.542 120.400 0.001 0.000 1.978 349 K HA -0.192 4.128 4.320 0.001 0.000 0.214 349 K C 1.810 178.410 176.600 0.000 0.000 1.049 349 K CA 1.485 57.773 56.287 0.000 0.000 0.939 349 K CB -0.191 32.310 32.500 0.002 0.000 0.721 349 K HN -0.046 nan 8.250 nan 0.000 0.441 350 K N 1.072 121.473 120.400 0.002 0.000 2.633 350 K HA -0.091 4.229 4.320 0.001 0.000 0.193 350 K C 1.409 178.009 176.600 0.001 0.000 1.033 350 K CA 0.740 57.028 56.287 0.002 0.000 0.980 350 K CB 0.001 32.502 32.500 0.003 0.000 0.800 350 K HN 0.214 nan 8.250 nan 0.000 0.493 351 E N -0.615 119.585 120.200 -0.000 0.000 2.367 351 E HA 0.097 4.447 4.350 0.001 0.000 0.204 351 E C 1.519 178.117 176.600 -0.004 0.000 0.840 351 E CA 0.102 56.501 56.400 -0.002 0.000 1.051 351 E CB 0.233 29.931 29.700 -0.003 0.000 1.051 351 E HN 0.187 nan 8.360 nan 0.000 0.509 352 L N 1.914 123.134 121.223 -0.005 0.000 2.127 352 L HA -0.141 4.200 4.340 0.001 0.000 0.211 352 L C 1.740 178.609 176.870 -0.003 0.000 1.089 352 L CA 1.530 56.365 54.840 -0.007 0.000 0.757 352 L CB -0.352 41.702 42.059 -0.008 0.000 0.899 352 L HN 0.193 nan 8.230 nan 0.000 0.434 353 E N -0.974 119.226 120.200 -0.001 0.000 2.352 353 E HA -0.047 4.304 4.350 0.001 0.000 0.197 353 E C 0.365 176.966 176.600 0.002 0.000 1.224 353 E CA 0.406 56.806 56.400 0.001 0.000 1.118 353 E CB -0.148 29.553 29.700 0.002 0.000 1.198 353 E HN 0.276 nan 8.360 nan 0.000 0.454 354 T N -1.006 113.550 114.554 0.002 0.000 3.333 354 T HA 0.023 4.374 4.350 0.001 0.000 0.289 354 T C 0.058 174.760 174.700 0.004 0.000 0.866 354 T CA -0.298 61.804 62.100 0.003 0.000 0.872 354 T CB 0.840 69.710 68.868 0.003 0.000 1.227 354 T HN 0.108 nan 8.240 nan 0.000 0.676 355 T N 2.618 117.173 114.554 0.002 0.000 2.817 355 T HA 0.335 4.685 4.350 0.001 0.000 0.293 355 T C 0.198 174.903 174.700 0.008 0.000 0.964 355 T CA -0.334 61.768 62.100 0.002 0.000 1.085 355 T CB 1.541 70.405 68.868 -0.007 0.000 0.921 355 T HN 0.042 nan 8.240 nan 0.000 0.502 356 D N 1.569 121.978 120.400 0.014 0.000 2.844 356 D HA 0.024 4.665 4.640 0.001 0.000 0.271 356 D C 1.029 177.347 176.300 0.030 0.000 1.386 356 D CA 0.446 54.458 54.000 0.020 0.000 1.053 356 D CB -0.403 40.409 40.800 0.020 0.000 1.107 356 D HN 0.614 nan 8.370 nan 0.000 0.395 357 S N 2.030 117.755 115.700 0.041 0.000 3.361 357 S HA -0.146 4.324 4.470 0.001 0.000 0.396 357 S C 0.983 175.628 174.600 0.076 0.000 1.165 357 S CA 0.103 58.343 58.200 0.066 0.000 1.192 357 S CB 0.294 63.548 63.200 0.091 0.000 0.843 357 S HN 0.227 nan 8.310 nan 0.000 0.528 358 E N 2.195 122.439 120.200 0.073 0.000 2.339 358 E HA -0.275 4.075 4.350 0.001 0.000 0.201 358 E C 1.148 177.809 176.600 0.102 0.000 1.015 358 E CA 1.383 57.825 56.400 0.069 0.000 0.841 358 E CB -0.146 29.593 29.700 0.065 0.000 0.754 358 E HN 0.987 nan 8.360 nan 0.000 0.508 359 Y N 0.134 120.433 120.300 -0.002 0.000 2.220 359 Y HA -0.053 4.497 4.550 0.001 0.000 0.291 359 Y C 2.008 177.905 175.900 -0.005 0.000 1.129 359 Y CA 1.405 59.502 58.100 -0.006 0.000 1.161 359 Y CB -0.613 37.841 38.460 -0.009 0.000 0.997 359 Y HN 0.082 nan 8.280 nan 0.000 0.522 360 A N 0.690 123.441 122.820 -0.115 0.000 2.015 360 A HA -0.122 4.199 4.320 0.001 0.000 0.219 360 A C 2.243 179.739 177.584 -0.145 0.000 1.163 360 A CA 1.349 53.271 52.037 -0.191 0.000 0.646 360 A CB -0.496 18.468 19.000 -0.059 0.000 0.806 360 A HN 0.524 nan 8.150 nan 0.000 0.448 361 R N -0.309 120.145 120.500 -0.077 0.000 2.189 361 R HA -0.036 4.304 4.340 0.001 0.000 0.218 361 R C 1.602 177.861 176.300 -0.068 0.000 1.074 361 R CA 1.186 57.254 56.100 -0.053 0.000 0.991 361 R CB -0.145 30.145 30.300 -0.017 0.000 0.883 361 R HN 0.654 nan 8.270 nan 0.000 0.457 362 E N 0.391 120.532 120.200 -0.098 0.000 2.170 362 E HA -0.046 4.305 4.350 0.001 0.000 0.191 362 E C 1.706 178.224 176.600 -0.137 0.000 0.981 362 E CA 0.443 56.789 56.400 -0.091 0.000 0.830 362 E CB 0.286 29.955 29.700 -0.050 0.000 0.775 362 E HN 0.077 nan 8.360 nan 0.000 0.470 363 K N 0.819 121.077 120.400 -0.236 0.000 2.031 363 K HA -0.034 4.286 4.320 0.001 0.000 0.205 363 K C 1.973 178.499 176.600 -0.123 0.000 1.049 363 K CA 0.777 56.932 56.287 -0.219 0.000 0.939 363 K CB -0.324 31.978 32.500 -0.330 0.000 0.717 363 K HN 0.182 nan 8.250 nan 0.000 0.438 364 L N 1.270 122.429 121.223 -0.107 0.000 2.711 364 L HA -0.067 4.274 4.340 0.001 0.000 0.242 364 L C 2.046 178.888 176.870 -0.046 0.000 1.153 364 L CA 0.334 55.137 54.840 -0.061 0.000 0.898 364 L CB -0.193 41.836 42.059 -0.050 0.000 1.044 364 L HN 0.145 nan 8.230 nan 0.000 0.437 365 Q N 0.664 120.430 119.800 -0.057 0.000 2.462 365 Q HA -0.088 4.253 4.340 0.001 0.000 0.224 365 Q C 1.982 177.954 176.000 -0.046 0.000 0.911 365 Q CA 0.789 56.566 55.803 -0.044 0.000 0.925 365 Q CB 0.296 29.007 28.738 -0.044 0.000 1.063 365 Q HN 0.569 nan 8.270 nan 0.000 0.572 366 E N -0.352 119.814 120.200 -0.057 0.000 2.268 366 E HA -0.155 4.195 4.350 0.001 0.000 0.195 366 E C 1.832 178.391 176.600 -0.068 0.000 0.995 366 E CA 0.450 56.812 56.400 -0.064 0.000 0.836 366 E CB -0.087 29.574 29.700 -0.064 0.000 0.763 366 E HN 0.167 nan 8.360 nan 0.000 0.491 367 R N 0.306 120.781 120.500 -0.042 0.000 2.064 367 R HA -0.075 4.265 4.340 0.001 0.000 0.228 367 R C 2.390 178.690 176.300 -0.001 0.000 1.144 367 R CA 1.312 57.407 56.100 -0.008 0.000 0.932 367 R CB -0.552 29.761 30.300 0.021 0.000 0.833 367 R HN 0.203 nan 8.270 nan 0.000 0.429 368 L N 0.882 122.105 121.223 -0.000 0.000 2.450 368 L HA -0.131 4.209 4.340 0.001 0.000 0.225 368 L C 1.734 178.600 176.870 -0.008 0.000 1.145 368 L CA 1.592 56.435 54.840 0.006 0.000 0.801 368 L CB -0.442 41.616 42.059 -0.002 0.000 0.924 368 L HN 0.198 nan 8.230 nan 0.000 0.447 369 A N -0.868 121.931 122.820 -0.035 0.000 1.887 369 A HA -0.056 4.264 4.320 0.001 0.000 0.212 369 A C 2.247 179.786 177.584 -0.075 0.000 1.198 369 A CA 1.017 53.023 52.037 -0.052 0.000 0.628 369 A CB -0.240 18.720 19.000 -0.068 0.000 0.847 369 A HN 0.437 nan 8.150 nan 0.000 0.449 370 K N 0.171 120.483 120.400 -0.146 0.000 2.002 370 K HA -0.014 4.306 4.320 0.001 0.000 0.209 370 K C 1.813 178.367 176.600 -0.077 0.000 1.048 370 K CA 1.381 57.498 56.287 -0.283 0.000 0.930 370 K CB -0.546 31.490 32.500 -0.774 0.000 0.714 370 K HN 0.371 nan 8.250 nan 0.000 0.438 371 L N 0.870 122.136 121.223 0.072 0.000 2.103 371 L HA -0.211 4.130 4.340 0.001 0.000 0.215 371 L C 1.369 178.302 176.870 0.105 0.000 1.080 371 L CA 0.909 55.867 54.840 0.197 0.000 0.764 371 L CB -0.538 41.609 42.059 0.148 0.000 0.890 371 L HN 0.190 nan 8.230 nan 0.000 0.435 372 A N -0.042 122.806 122.820 0.048 0.000 3.157 372 A HA 0.451 4.772 4.320 0.001 0.000 0.276 372 A C 1.502 179.102 177.584 0.026 0.000 1.524 372 A CA 0.298 52.356 52.037 0.034 0.000 1.236 372 A CB -0.377 18.635 19.000 0.020 0.000 1.173 372 A HN 0.393 nan 8.150 nan 0.000 0.595 373 G N 2.150 110.973 108.800 0.039 0.000 2.913 373 G HA2 -0.285 3.676 3.960 0.001 0.000 0.269 373 G HA3 -0.285 3.676 3.960 0.001 0.000 0.269 373 G C 1.270 176.190 174.900 0.034 0.000 1.091 373 G CA 0.905 46.025 45.100 0.033 0.000 0.753 373 G HN 1.614 nan 8.290 nan 0.000 0.776 374 G N -0.328 108.498 108.800 0.043 0.000 2.388 374 G HA2 0.310 4.270 3.960 0.001 0.000 0.289 374 G HA3 0.310 4.270 3.960 0.001 0.000 0.289 374 G C -0.563 174.375 174.900 0.064 0.000 0.791 374 G CA 0.244 45.384 45.100 0.066 0.000 1.619 374 G HN 0.688 nan 8.290 nan 0.000 0.375 375 V N 2.161 122.118 119.914 0.071 0.000 2.443 375 V HA 0.676 4.796 4.120 0.001 0.000 0.293 375 V C 0.364 176.448 176.094 -0.017 0.000 1.021 375 V CA -0.582 61.727 62.300 0.015 0.000 0.848 375 V CB 1.476 33.286 31.823 -0.021 0.000 0.998 375 V HN 0.948 nan 8.190 nan 0.000 0.424 376 A N 4.837 127.586 122.820 -0.117 0.000 2.312 376 A HA 0.924 5.244 4.320 0.001 0.000 0.328 376 A C -0.897 176.512 177.584 -0.291 0.000 1.158 376 A CA -0.567 51.245 52.037 -0.375 0.000 0.821 376 A CB 1.704 20.420 19.000 -0.473 0.000 1.170 376 A HN 0.718 nan 8.150 nan 0.000 0.490 377 V N 3.284 122.990 119.914 -0.347 0.000 2.567 377 V HA 0.281 4.401 4.120 0.001 0.000 0.298 377 V C -0.729 175.201 176.094 -0.274 0.000 1.047 377 V CA -0.091 62.059 62.300 -0.251 0.000 0.880 377 V CB 1.463 33.177 31.823 -0.181 0.000 1.009 377 V HN 0.758 nan 8.190 nan 0.000 0.429 378 I N 5.263 125.660 120.570 -0.287 0.000 2.315 378 I HA 0.485 4.656 4.170 0.001 0.000 0.291 378 I C 0.389 176.300 176.117 -0.343 0.000 1.006 378 I CA -0.376 60.709 61.300 -0.358 0.000 1.265 378 I CB 0.897 38.578 38.000 -0.531 0.000 1.387 378 I HN 0.413 nan 8.210 nan 0.000 0.475 379 R N 5.826 126.161 120.500 -0.274 0.000 2.247 379 R HA 0.405 4.746 4.340 0.001 0.000 0.329 379 R C -0.890 175.281 176.300 -0.215 0.000 1.014 379 R CA -0.700 55.274 56.100 -0.209 0.000 0.907 379 R CB 1.391 31.609 30.300 -0.136 0.000 1.146 379 R HN 0.391 nan 8.270 nan 0.000 0.499 380 V N 2.710 122.473 119.914 -0.251 0.000 2.479 380 V HA 0.207 4.327 4.120 0.001 0.000 0.281 380 V C 1.061 177.120 176.094 -0.058 0.000 1.031 380 V CA -0.183 62.011 62.300 -0.176 0.000 1.038 380 V CB 1.001 32.736 31.823 -0.146 0.000 0.981 380 V HN 0.855 nan 8.190 nan 0.000 0.478 381 G N 2.937 111.728 108.800 -0.014 0.000 2.441 381 G HA2 0.851 4.812 3.960 0.001 0.000 0.334 381 G HA3 0.851 4.812 3.960 0.001 0.000 0.334 381 G C -0.653 174.263 174.900 0.028 0.000 1.161 381 G CA -0.065 45.036 45.100 0.002 0.000 0.935 381 G HN 1.245 nan 8.290 nan 0.000 0.488 382 A N -0.743 122.089 122.820 0.020 0.000 2.601 382 A HA 0.761 5.081 4.320 0.001 0.000 0.291 382 A C 0.521 178.115 177.584 0.015 0.000 1.075 382 A CA 0.337 52.389 52.037 0.025 0.000 0.671 382 A CB 0.710 19.729 19.000 0.032 0.000 1.277 382 A HN 1.848 nan 8.150 nan 0.000 0.417 383 A N -0.299 122.530 122.820 0.015 0.000 2.081 383 A HA 0.484 4.804 4.320 0.001 0.000 0.214 383 A C 1.090 178.679 177.584 0.009 0.000 1.158 383 A CA 1.988 54.031 52.037 0.010 0.000 0.724 383 A CB -0.371 18.634 19.000 0.009 0.000 0.826 383 A HN 2.065 nan 8.150 nan 0.000 0.463 384 T N -4.576 109.985 114.554 0.011 0.000 2.896 384 T HA 0.503 4.853 4.350 0.001 0.000 0.297 384 T C 0.314 175.021 174.700 0.011 0.000 1.108 384 T CA -0.056 62.050 62.100 0.009 0.000 1.004 384 T CB 1.831 70.704 68.868 0.009 0.000 1.159 384 T HN -0.019 nan 8.240 nan 0.000 0.499 385 E N 1.275 121.480 120.200 0.009 0.000 2.058 385 E HA -0.090 4.260 4.350 0.001 0.000 0.194 385 E C 2.008 178.616 176.600 0.014 0.000 0.997 385 E CA 2.360 58.766 56.400 0.010 0.000 0.801 385 E CB -0.933 28.771 29.700 0.007 0.000 0.746 385 E HN 0.781 nan 8.360 nan 0.000 0.450 386 T N 0.422 114.983 114.554 0.012 0.000 2.684 386 T HA -0.215 4.135 4.350 0.001 0.000 0.267 386 T C 1.746 176.456 174.700 0.016 0.000 1.036 386 T CA 1.623 63.730 62.100 0.011 0.000 1.148 386 T CB -0.368 68.504 68.868 0.007 0.000 0.863 386 T HN 0.363 nan 8.240 nan 0.000 0.436 387 E N 0.429 120.639 120.200 0.018 0.000 2.031 387 E HA -0.152 4.199 4.350 0.001 0.000 0.193 387 E C 2.203 178.826 176.600 0.038 0.000 0.994 387 E CA 1.011 57.426 56.400 0.024 0.000 0.800 387 E CB -0.262 29.452 29.700 0.022 0.000 0.752 387 E HN 0.292 nan 8.360 nan 0.000 0.447 388 L N 1.898 123.143 121.223 0.036 0.000 1.990 388 L HA -0.260 4.081 4.340 0.001 0.000 0.213 388 L C 2.410 179.316 176.870 0.060 0.000 1.072 388 L CA 2.397 57.265 54.840 0.047 0.000 0.755 388 L CB -0.603 41.473 42.059 0.029 0.000 0.889 388 L HN 0.075 nan 8.230 nan 0.000 0.432 389 K N -1.106 119.322 120.400 0.046 0.000 2.160 389 K HA -0.287 4.033 4.320 0.001 0.000 0.206 389 K C 2.060 178.711 176.600 0.084 0.000 1.047 389 K CA 1.891 58.211 56.287 0.054 0.000 0.930 389 K CB -0.076 32.442 32.500 0.029 0.000 0.720 389 K HN 0.482 nan 8.250 nan 0.000 0.450 390 E N 0.881 121.125 120.200 0.073 0.000 2.060 390 E HA -0.099 4.252 4.350 0.001 0.000 0.189 390 E C 1.795 178.476 176.600 0.134 0.000 0.974 390 E CA 1.287 57.742 56.400 0.091 0.000 0.808 390 E CB -0.019 29.708 29.700 0.045 0.000 0.768 390 E HN 0.219 nan 8.360 nan 0.000 0.453 391 K N 0.645 121.113 120.400 0.113 0.000 2.044 391 K HA -0.248 4.073 4.320 0.001 0.000 0.210 391 K C 2.204 178.959 176.600 0.258 0.000 1.049 391 K CA 1.904 58.277 56.287 0.144 0.000 0.927 391 K CB -0.164 32.423 32.500 0.145 0.000 0.713 391 K HN 0.009 nan 8.250 nan 0.000 0.443 392 K N -0.459 120.074 120.400 0.221 0.000 2.063 392 K HA -0.264 4.057 4.320 0.001 0.000 0.208 392 K C 2.160 178.891 176.600 0.218 0.000 1.048 392 K CA 2.052 58.466 56.287 0.213 0.000 0.928 392 K CB -0.254 32.311 32.500 0.107 0.000 0.713 392 K HN 0.293 nan 8.250 nan 0.000 0.442 393 H N 0.378 119.509 119.070 0.101 0.000 2.353 393 H HA -0.011 4.546 4.556 0.001 0.000 0.300 393 H C 1.974 177.341 175.328 0.065 0.000 1.090 393 H CA 1.887 57.976 56.048 0.069 0.000 1.327 393 H CB 0.197 29.982 29.762 0.037 0.000 1.383 393 H HN 0.150 nan 8.280 nan 0.000 0.508 394 R N -0.860 119.682 120.500 0.071 0.000 2.083 394 R HA -0.159 4.181 4.340 0.001 0.000 0.237 394 R C 2.229 178.459 176.300 -0.118 0.000 1.137 394 R CA 1.739 57.805 56.100 -0.057 0.000 0.951 394 R CB -0.542 29.704 30.300 -0.089 0.000 0.851 394 R HN 0.316 nan 8.270 nan 0.000 0.434 395 F N 1.397 121.303 119.950 -0.074 0.000 2.065 395 F HA -0.249 4.278 4.527 0.000 0.000 0.298 395 F C 2.438 178.171 175.800 -0.112 0.000 1.112 395 F CA 1.715 59.668 58.000 -0.078 0.000 1.212 395 F CB -0.265 38.698 39.000 -0.062 0.000 0.975 395 F HN 0.111 nan 8.300 nan 0.000 0.476 396 E N -0.177 120.058 120.200 0.058 0.000 2.097 396 E HA -0.245 4.105 4.350 0.001 0.000 0.196 396 E C 1.768 178.291 176.600 -0.130 0.000 1.000 396 E CA 1.521 57.882 56.400 -0.065 0.000 0.804 396 E CB -0.355 29.260 29.700 -0.141 0.000 0.740 396 E HN 0.413 nan 8.360 nan 0.000 0.454 397 D N 0.611 120.875 120.400 -0.227 0.000 2.097 397 D HA -0.117 4.524 4.640 0.001 0.000 0.195 397 D C 1.992 178.238 176.300 -0.090 0.000 0.989 397 D CA 1.378 55.276 54.000 -0.170 0.000 0.827 397 D CB -0.381 40.319 40.800 -0.166 0.000 0.966 397 D HN 0.170 nan 8.370 nan 0.000 0.456 398 A N 0.855 123.624 122.820 -0.085 0.000 1.892 398 A HA -0.197 4.124 4.320 0.001 0.000 0.218 398 A C 2.434 180.000 177.584 -0.029 0.000 1.188 398 A CA 1.252 53.251 52.037 -0.064 0.000 0.631 398 A CB -0.913 18.034 19.000 -0.089 0.000 0.822 398 A HN 0.234 nan 8.150 nan 0.000 0.447 399 L N -0.401 120.817 121.223 -0.008 0.000 1.994 399 L HA -0.235 4.105 4.340 0.001 0.000 0.208 399 L C 2.400 179.262 176.870 -0.015 0.000 1.071 399 L CA 1.511 56.350 54.840 -0.001 0.000 0.745 399 L CB -0.814 41.248 42.059 0.006 0.000 0.892 399 L HN 0.423 nan 8.230 nan 0.000 0.431 400 N N 0.235 118.919 118.700 -0.026 0.000 2.184 400 N HA -0.218 4.523 4.740 0.001 0.000 0.190 400 N C 1.739 177.237 175.510 -0.020 0.000 1.011 400 N CA 1.641 54.677 53.050 -0.024 0.000 0.867 400 N CB -0.244 38.224 38.487 -0.032 0.000 0.993 400 N HN 0.398 nan 8.380 nan 0.000 0.433 401 A N 1.007 123.812 122.820 -0.025 0.000 1.832 401 A HA -0.106 4.214 4.320 0.001 0.000 0.214 401 A C 2.424 179.998 177.584 -0.015 0.000 1.200 401 A CA 2.101 54.125 52.037 -0.022 0.000 0.610 401 A CB -1.275 17.707 19.000 -0.030 0.000 0.842 401 A HN 0.285 nan 8.150 nan 0.000 0.444 402 T N 0.350 114.896 114.554 -0.014 0.000 2.620 402 T HA -0.246 4.104 4.350 0.001 0.000 0.267 402 T C 2.079 176.776 174.700 -0.005 0.000 1.044 402 T CA 1.766 63.862 62.100 -0.008 0.000 1.161 402 T CB -0.379 68.488 68.868 -0.002 0.000 0.862 402 T HN 0.355 nan 8.240 nan 0.000 0.438 403 R N 1.329 121.825 120.500 -0.005 0.000 2.094 403 R HA 0.002 4.343 4.340 0.001 0.000 0.239 403 R C 2.817 179.115 176.300 -0.003 0.000 1.137 403 R CA 1.721 57.819 56.100 -0.004 0.000 0.943 403 R CB -1.411 28.886 30.300 -0.005 0.000 0.850 403 R HN 0.516 nan 8.270 nan 0.000 0.433 404 A N 1.159 123.975 122.820 -0.005 0.000 1.933 404 A HA -0.064 4.257 4.320 0.001 0.000 0.218 404 A C 2.433 180.015 177.584 -0.004 0.000 1.175 404 A CA 1.896 53.930 52.037 -0.004 0.000 0.628 404 A CB -0.620 18.377 19.000 -0.006 0.000 0.814 404 A HN 0.376 nan 8.150 nan 0.000 0.444 405 A N -0.372 122.445 122.820 -0.005 0.000 1.865 405 A HA -0.092 4.228 4.320 0.001 0.000 0.217 405 A C 2.229 179.811 177.584 -0.002 0.000 1.191 405 A CA 2.050 54.084 52.037 -0.005 0.000 0.623 405 A CB -1.154 17.842 19.000 -0.007 0.000 0.826 405 A HN 0.476 nan 8.150 nan 0.000 0.444 406 V N 0.144 120.057 119.914 -0.001 0.000 2.332 406 V HA -0.299 3.821 4.120 0.001 0.000 0.248 406 V C 2.398 178.493 176.094 0.001 0.000 1.055 406 V CA 2.360 64.660 62.300 0.001 0.000 1.038 406 V CB -0.963 30.861 31.823 0.003 0.000 0.651 406 V HN 0.634 nan 8.190 nan 0.000 0.450 407 E N 0.109 120.309 120.200 0.001 0.000 2.001 407 E HA -0.208 4.143 4.350 0.001 0.000 0.195 407 E C 2.025 178.626 176.600 0.001 0.000 1.002 407 E CA 1.590 57.991 56.400 0.001 0.000 0.819 407 E CB -0.141 29.559 29.700 0.001 0.000 0.769 407 E HN 0.653 nan 8.360 nan 0.000 0.454 408 E N -0.252 119.948 120.200 0.001 0.000 2.481 408 E HA 0.198 4.548 4.350 0.001 0.000 0.198 408 E C 0.463 177.064 176.600 0.001 0.000 1.027 408 E CA 0.186 56.587 56.400 0.001 0.000 0.900 408 E CB 1.269 30.969 29.700 0.001 0.000 0.993 408 E HN 0.288 nan 8.360 nan 0.000 0.482 409 G N 1.420 110.220 108.800 0.000 0.000 2.409 409 G HA2 -0.128 3.832 3.960 0.001 0.000 0.421 409 G HA3 -0.128 3.832 3.960 0.001 0.000 0.421 409 G C -1.227 173.672 174.900 -0.002 0.000 1.259 409 G CA -0.652 44.448 45.100 0.000 0.000 1.011 409 G HN 0.109 nan 8.290 nan 0.000 0.497 410 I N 0.018 120.587 120.570 -0.002 0.000 2.769 410 I HA 0.706 4.877 4.170 0.001 0.000 0.298 410 I C 0.105 176.220 176.117 -0.002 0.000 1.128 410 I CA -1.085 60.212 61.300 -0.004 0.000 1.031 410 I CB 2.127 40.124 38.000 -0.005 0.000 1.235 410 I HN 1.181 nan 8.210 nan 0.000 0.423 411 V N 3.139 123.050 119.914 -0.004 0.000 3.160 411 V HA 0.730 4.850 4.120 0.001 0.000 0.310 411 V C -2.812 173.279 176.094 -0.006 0.000 1.181 411 V CA -2.064 60.235 62.300 -0.002 0.000 1.047 411 V CB 1.521 33.343 31.823 -0.000 0.000 1.068 411 V HN 0.557 nan 8.190 nan 0.000 0.441 412 P HA 0.281 nan 4.420 nan 0.000 0.276 412 P C 0.230 177.517 177.300 -0.021 0.000 1.230 412 P CA 0.588 63.682 63.100 -0.011 0.000 0.776 412 P CB 1.199 32.900 31.700 0.001 0.000 0.888 413 G N 1.543 110.321 108.800 -0.036 0.000 2.546 413 G HA2 0.374 4.334 3.960 0.001 0.000 0.239 413 G HA3 0.374 4.334 3.960 0.001 0.000 0.239 413 G C 0.825 175.692 174.900 -0.055 0.000 1.476 413 G CA -0.202 44.871 45.100 -0.046 0.000 1.064 413 G HN 0.726 nan 8.290 nan 0.000 0.561 414 G N -1.757 107.003 108.800 -0.067 0.000 2.296 414 G HA2 0.181 4.142 3.960 0.001 0.000 0.282 414 G HA3 0.181 4.142 3.960 0.001 0.000 0.282 414 G C 1.573 176.447 174.900 -0.043 0.000 1.014 414 G CA 1.375 46.432 45.100 -0.073 0.000 0.812 414 G HN 2.428 nan 8.290 nan 0.000 0.508 415 G N -2.749 106.034 108.800 -0.029 0.000 2.220 415 G HA2 -0.282 3.678 3.960 0.001 0.000 0.269 415 G HA3 -0.282 3.678 3.960 0.001 0.000 0.269 415 G C 1.504 176.400 174.900 -0.008 0.000 0.977 415 G CA 1.274 46.365 45.100 -0.014 0.000 0.634 415 G HN 1.456 nan 8.290 nan 0.000 0.539 416 V N 0.542 120.447 119.914 -0.016 0.000 2.282 416 V HA -0.239 3.882 4.120 0.001 0.000 0.249 416 V C 2.916 179.016 176.094 0.010 0.000 1.057 416 V CA 3.302 65.599 62.300 -0.004 0.000 1.032 416 V CB -1.004 30.810 31.823 -0.015 0.000 0.645 416 V HN 0.671 nan 8.190 nan 0.000 0.447 417 T N -0.503 114.053 114.554 0.004 0.000 2.759 417 T HA -0.179 4.171 4.350 0.001 0.000 0.269 417 T C 1.689 176.396 174.700 0.012 0.000 1.042 417 T CA 1.810 63.916 62.100 0.010 0.000 1.140 417 T CB -0.243 68.627 68.868 0.004 0.000 0.864 417 T HN 0.324 nan 8.240 nan 0.000 0.455 418 L N 0.382 121.610 121.223 0.008 0.000 2.156 418 L HA 0.183 4.523 4.340 0.001 0.000 0.208 418 L C 2.487 179.366 176.870 0.015 0.000 1.095 418 L CA 0.920 55.766 54.840 0.010 0.000 0.770 418 L CB -0.540 41.523 42.059 0.007 0.000 0.914 418 L HN 0.268 nan 8.230 nan 0.000 0.439 419 L N -0.821 120.413 121.223 0.018 0.000 2.046 419 L HA -0.176 4.164 4.340 0.001 0.000 0.208 419 L C 2.669 179.557 176.870 0.030 0.000 1.077 419 L CA 0.903 55.758 54.840 0.025 0.000 0.747 419 L CB -0.477 41.601 42.059 0.032 0.000 0.896 419 L HN 0.234 nan 8.230 nan 0.000 0.432 420 R N 0.184 120.703 120.500 0.032 0.000 2.241 420 R HA -0.070 4.270 4.340 0.001 0.000 0.224 420 R C 2.092 178.407 176.300 0.025 0.000 1.101 420 R CA 1.137 57.257 56.100 0.034 0.000 0.995 420 R CB -0.887 29.435 30.300 0.036 0.000 0.870 420 R HN 0.349 nan 8.270 nan 0.000 0.463 421 A N 0.866 123.699 122.820 0.021 0.000 2.066 421 A HA -0.021 4.299 4.320 0.001 0.000 0.218 421 A C 2.183 179.777 177.584 0.016 0.000 1.157 421 A CA 0.517 52.563 52.037 0.016 0.000 0.670 421 A CB -0.341 18.667 19.000 0.013 0.000 0.804 421 A HN 0.163 nan 8.150 nan 0.000 0.453 422 I N 0.832 121.413 120.570 0.018 0.000 2.127 422 I HA -0.326 3.844 4.170 0.001 0.000 0.241 422 I C 2.928 179.055 176.117 0.017 0.000 1.075 422 I CA 1.790 63.101 61.300 0.017 0.000 1.334 422 I CB -0.519 37.493 38.000 0.020 0.000 1.040 422 I HN 0.504 nan 8.210 nan 0.000 0.405 423 S N 1.434 117.145 115.700 0.019 0.000 2.407 423 S HA -0.266 4.205 4.470 0.001 0.000 0.235 423 S C 2.150 176.759 174.600 0.014 0.000 1.036 423 S CA 1.209 59.419 58.200 0.017 0.000 1.013 423 S CB -0.781 62.430 63.200 0.019 0.000 0.820 423 S HN 0.478 nan 8.310 nan 0.000 0.476 424 A N 1.498 124.326 122.820 0.014 0.000 1.897 424 A HA 0.125 4.445 4.320 0.001 0.000 0.215 424 A C 2.442 180.032 177.584 0.010 0.000 1.181 424 A CA 1.488 53.532 52.037 0.012 0.000 0.620 424 A CB -0.997 18.010 19.000 0.012 0.000 0.821 424 A HN 0.491 nan 8.150 nan 0.000 0.443 425 V N -0.008 119.912 119.914 0.011 0.000 2.358 425 V HA -0.232 3.889 4.120 0.001 0.000 0.246 425 V C 2.483 178.582 176.094 0.009 0.000 1.047 425 V CA 2.284 64.590 62.300 0.010 0.000 1.035 425 V CB -0.890 30.939 31.823 0.010 0.000 0.658 425 V HN 0.645 nan 8.190 nan 0.000 0.452 426 E N 0.846 121.052 120.200 0.010 0.000 2.033 426 E HA -0.284 4.067 4.350 0.001 0.000 0.199 426 E C 2.148 178.753 176.600 0.008 0.000 1.011 426 E CA 1.928 58.334 56.400 0.009 0.000 0.815 426 E CB -0.338 29.368 29.700 0.011 0.000 0.755 426 E HN 0.560 nan 8.360 nan 0.000 0.451 427 E N -0.356 119.849 120.200 0.008 0.000 2.118 427 E HA -0.176 4.175 4.350 0.001 0.000 0.195 427 E C 1.938 178.542 176.600 0.007 0.000 0.992 427 E CA 1.091 57.496 56.400 0.007 0.000 0.804 427 E CB -0.456 29.248 29.700 0.008 0.000 0.741 427 E HN 0.326 nan 8.360 nan 0.000 0.458 428 L N 0.235 121.463 121.223 0.007 0.000 2.046 428 L HA -0.080 4.260 4.340 0.001 0.000 0.208 428 L C 2.068 178.942 176.870 0.006 0.000 1.077 428 L CA 1.620 56.464 54.840 0.007 0.000 0.747 428 L CB -0.553 41.510 42.059 0.007 0.000 0.896 428 L HN 0.227 nan 8.230 nan 0.000 0.432 429 I N -0.130 120.444 120.570 0.007 0.000 2.151 429 I HA -0.371 3.799 4.170 0.001 0.000 0.243 429 I C 2.379 178.499 176.117 0.006 0.000 1.080 429 I CA 1.726 63.030 61.300 0.006 0.000 1.339 429 I CB -0.534 37.470 38.000 0.007 0.000 1.039 429 I HN 0.297 nan 8.210 nan 0.000 0.409 430 K N 0.506 120.910 120.400 0.006 0.000 2.286 430 K HA -0.237 4.084 4.320 0.001 0.000 0.203 430 K C 1.877 178.480 176.600 0.005 0.000 1.045 430 K CA 1.154 57.444 56.287 0.005 0.000 0.935 430 K CB -0.146 32.357 32.500 0.005 0.000 0.737 430 K HN 0.057 nan 8.250 nan 0.000 0.460 431 K N 0.620 121.023 120.400 0.005 0.000 2.374 431 K HA 0.184 4.504 4.320 0.001 0.000 0.196 431 K C -0.082 176.520 176.600 0.005 0.000 1.023 431 K CA 0.117 56.406 56.287 0.004 0.000 1.103 431 K CB 0.406 32.909 32.500 0.005 0.000 0.848 431 K HN -0.047 nan 8.250 nan 0.000 0.528 432 L N 0.333 121.559 121.223 0.005 0.000 2.332 432 L HA 0.462 4.802 4.340 0.001 0.000 0.269 432 L C 0.106 176.979 176.870 0.005 0.000 1.016 432 L CA -0.762 54.081 54.840 0.005 0.000 0.809 432 L CB 1.840 43.902 42.059 0.005 0.000 1.280 432 L HN 0.049 nan 8.230 nan 0.000 0.447 433 E N -0.636 119.567 120.200 0.005 0.000 2.447 433 E HA 0.520 4.871 4.350 0.001 0.000 0.258 433 E C -0.051 176.551 176.600 0.005 0.000 0.916 433 E CA -0.378 56.025 56.400 0.005 0.000 0.846 433 E CB 1.469 31.171 29.700 0.004 0.000 1.517 433 E HN 0.718 nan 8.360 nan 0.000 0.418 434 G N 1.126 109.929 108.800 0.005 0.000 2.551 434 G HA2 -0.370 3.591 3.960 0.001 0.000 0.383 434 G HA3 -0.370 3.591 3.960 0.001 0.000 0.383 434 G C 0.422 175.326 174.900 0.005 0.000 1.370 434 G CA 0.774 45.877 45.100 0.005 0.000 0.940 434 G HN 0.693 nan 8.290 nan 0.000 0.524 435 D N 0.075 120.479 120.400 0.006 0.000 2.178 435 D HA -0.060 4.581 4.640 0.001 0.000 0.201 435 D C 2.144 178.448 176.300 0.006 0.000 0.980 435 D CA 1.345 55.348 54.000 0.006 0.000 0.842 435 D CB -0.205 40.599 40.800 0.007 0.000 0.948 435 D HN 0.669 nan 8.370 nan 0.000 0.472 436 E N 0.501 120.705 120.200 0.006 0.000 2.118 436 E HA -0.177 4.173 4.350 0.001 0.000 0.195 436 E C 1.990 178.593 176.600 0.006 0.000 0.992 436 E CA 1.020 57.423 56.400 0.006 0.000 0.804 436 E CB 0.080 29.783 29.700 0.005 0.000 0.741 436 E HN 0.187 nan 8.360 nan 0.000 0.458 437 A N -0.056 122.767 122.820 0.006 0.000 1.930 437 A HA -0.129 4.192 4.320 0.001 0.000 0.217 437 A C 2.308 179.896 177.584 0.006 0.000 1.175 437 A CA 1.707 53.748 52.037 0.006 0.000 0.627 437 A CB -0.657 18.347 19.000 0.005 0.000 0.815 437 A HN 0.254 nan 8.150 nan 0.000 0.443 438 T N -0.055 114.503 114.554 0.006 0.000 2.708 438 T HA -0.060 4.290 4.350 0.001 0.000 0.266 438 T C 2.012 176.716 174.700 0.007 0.000 1.037 438 T CA 1.490 63.594 62.100 0.006 0.000 1.146 438 T CB -0.724 68.148 68.868 0.006 0.000 0.865 438 T HN 0.579 nan 8.240 nan 0.000 0.435 439 G N 1.435 110.239 108.800 0.007 0.000 2.491 439 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 439 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 439 G C 1.869 176.773 174.900 0.007 0.000 1.180 439 G CA 1.156 46.261 45.100 0.007 0.000 0.774 439 G HN 0.593 nan 8.290 nan 0.000 0.562 440 A N 0.861 123.685 122.820 0.007 0.000 1.892 440 A HA -0.122 4.199 4.320 0.001 0.000 0.218 440 A C 2.318 179.906 177.584 0.007 0.000 1.188 440 A CA 2.237 54.278 52.037 0.007 0.000 0.631 440 A CB -0.467 18.537 19.000 0.007 0.000 0.822 440 A HN 0.429 nan 8.150 nan 0.000 0.447 441 K N -0.501 119.903 120.400 0.007 0.000 2.103 441 K HA -0.100 4.221 4.320 0.001 0.000 0.207 441 K C 1.805 178.410 176.600 0.008 0.000 1.048 441 K CA 1.499 57.791 56.287 0.008 0.000 0.930 441 K CB -0.429 32.075 32.500 0.007 0.000 0.716 441 K HN 0.580 nan 8.250 nan 0.000 0.444 442 I N 0.692 121.266 120.570 0.007 0.000 2.127 442 I HA -0.314 3.857 4.170 0.001 0.000 0.241 442 I C 2.246 178.368 176.117 0.008 0.000 1.075 442 I CA 1.287 62.592 61.300 0.007 0.000 1.334 442 I CB -0.458 37.546 38.000 0.007 0.000 1.040 442 I HN -0.051 nan 8.210 nan 0.000 0.405 443 V N 0.821 120.740 119.914 0.008 0.000 2.332 443 V HA -0.308 3.812 4.120 0.001 0.000 0.248 443 V C 2.634 178.733 176.094 0.009 0.000 1.055 443 V CA 2.059 64.364 62.300 0.008 0.000 1.038 443 V CB -0.878 30.949 31.823 0.008 0.000 0.651 443 V HN 0.435 nan 8.190 nan 0.000 0.450 444 R N 0.105 120.611 120.500 0.009 0.000 2.117 444 R HA -0.270 4.070 4.340 0.001 0.000 0.243 444 R C 2.432 178.738 176.300 0.011 0.000 1.143 444 R CA 2.204 58.310 56.100 0.010 0.000 0.968 444 R CB -0.192 30.114 30.300 0.010 0.000 0.863 444 R HN 0.401 nan 8.270 nan 0.000 0.444 445 R N 0.402 120.908 120.500 0.010 0.000 2.055 445 R HA 0.079 4.419 4.340 0.001 0.000 0.226 445 R C 2.029 178.335 176.300 0.010 0.000 1.135 445 R CA 1.844 57.950 56.100 0.010 0.000 0.959 445 R CB -0.917 29.389 30.300 0.009 0.000 0.854 445 R HN 0.264 nan 8.270 nan 0.000 0.431 446 A N 1.187 124.012 122.820 0.009 0.000 1.927 446 A HA -0.176 4.145 4.320 0.001 0.000 0.220 446 A C 2.266 179.855 177.584 0.009 0.000 1.185 446 A CA 1.886 53.928 52.037 0.008 0.000 0.639 446 A CB -0.964 18.040 19.000 0.008 0.000 0.820 446 A HN 0.401 nan 8.150 nan 0.000 0.451 447 L N -0.739 120.490 121.223 0.010 0.000 2.270 447 L HA -0.257 4.083 4.340 0.001 0.000 0.217 447 L C 2.336 179.213 176.870 0.011 0.000 1.107 447 L CA 1.656 56.502 54.840 0.010 0.000 0.772 447 L CB -0.534 41.532 42.059 0.012 0.000 0.902 447 L HN 0.538 nan 8.230 nan 0.000 0.439 448 E N -1.031 119.176 120.200 0.012 0.000 2.318 448 E HA -0.126 4.224 4.350 0.001 0.000 0.193 448 E C 1.900 178.506 176.600 0.011 0.000 0.998 448 E CA -0.025 56.383 56.400 0.013 0.000 0.859 448 E CB 0.120 29.828 29.700 0.014 0.000 0.812 448 E HN 0.318 nan 8.360 nan 0.000 0.492 449 E N 0.782 120.988 120.200 0.010 0.000 2.065 449 E HA -0.169 4.181 4.350 0.001 0.000 0.201 449 E C -0.686 175.919 176.600 0.009 0.000 1.016 449 E CA 1.478 57.884 56.400 0.009 0.000 0.818 449 E CB -1.474 28.231 29.700 0.008 0.000 0.749 449 E HN 0.227 nan 8.360 nan 0.000 0.453 450 P HA -0.158 nan 4.420 nan 0.000 0.214 450 P C 1.275 178.578 177.300 0.004 0.000 1.163 450 P CA 2.400 65.503 63.100 0.004 0.000 0.889 450 P CB -0.205 31.495 31.700 0.001 0.000 0.790 451 A N -0.331 122.491 122.820 0.004 0.000 1.883 451 A HA -0.252 4.068 4.320 0.001 0.000 0.217 451 A C 2.302 179.894 177.584 0.012 0.000 1.186 451 A CA 1.655 53.695 52.037 0.005 0.000 0.624 451 A CB -1.148 17.855 19.000 0.005 0.000 0.822 451 A HN 0.021 nan 8.150 nan 0.000 0.444 452 R N -1.145 119.362 120.500 0.012 0.000 2.088 452 R HA -0.156 4.184 4.340 0.001 0.000 0.232 452 R C 2.485 178.802 176.300 0.028 0.000 1.136 452 R CA 1.625 57.734 56.100 0.017 0.000 0.926 452 R CB -0.458 29.851 30.300 0.015 0.000 0.837 452 R HN 0.516 nan 8.270 nan 0.000 0.429 453 Q N 0.552 120.366 119.800 0.023 0.000 2.152 453 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 453 Q C 2.173 178.193 176.000 0.034 0.000 0.985 453 Q CA 1.468 57.286 55.803 0.026 0.000 0.863 453 Q CB -0.311 28.437 28.738 0.017 0.000 0.904 453 Q HN 0.449 nan 8.270 nan 0.000 0.422 454 I N 0.149 120.735 120.570 0.027 0.000 2.099 454 I HA -0.312 3.858 4.170 0.001 0.000 0.239 454 I C 2.360 178.516 176.117 0.064 0.000 1.066 454 I CA 1.231 62.547 61.300 0.026 0.000 1.324 454 I CB -0.564 37.437 38.000 0.002 0.000 1.037 454 I HN 0.096 nan 8.210 nan 0.000 0.401 455 A N 0.284 123.157 122.820 0.089 0.000 1.883 455 A HA -0.292 4.029 4.320 0.001 0.000 0.217 455 A C 2.180 179.886 177.584 0.204 0.000 1.186 455 A CA 2.185 54.317 52.037 0.158 0.000 0.624 455 A CB -0.685 18.354 19.000 0.065 0.000 0.822 455 A HN 0.419 nan 8.150 nan 0.000 0.444 456 E N 0.616 120.889 120.200 0.121 0.000 2.033 456 E HA -0.207 4.143 4.350 0.001 0.000 0.199 456 E C 1.749 178.412 176.600 0.105 0.000 1.011 456 E CA 2.062 58.524 56.400 0.104 0.000 0.815 456 E CB -0.551 29.184 29.700 0.058 0.000 0.755 456 E HN 0.763 nan 8.360 nan 0.000 0.451 457 N N -0.656 118.093 118.700 0.082 0.000 2.430 457 N HA -0.160 4.580 4.740 0.001 0.000 0.186 457 N C 1.310 176.877 175.510 0.095 0.000 1.032 457 N CA 0.546 53.635 53.050 0.066 0.000 0.893 457 N CB -0.091 38.422 38.487 0.042 0.000 0.957 457 N HN 0.198 nan 8.380 nan 0.000 0.442 458 A N 0.426 123.346 122.820 0.168 0.000 2.178 458 A HA 0.313 4.633 4.320 0.001 0.000 0.211 458 A C 1.465 179.227 177.584 0.296 0.000 1.157 458 A CA 0.819 53.007 52.037 0.253 0.000 0.780 458 A CB 0.074 19.261 19.000 0.312 0.000 0.828 458 A HN 0.299 nan 8.150 nan 0.000 0.476 459 G N -2.272 106.652 108.800 0.206 0.000 2.173 459 G HA2 -0.155 3.805 3.960 0.001 0.000 0.174 459 G HA3 -0.155 3.805 3.960 0.001 0.000 0.174 459 G C -0.339 174.424 174.900 -0.227 0.000 1.025 459 G CA 0.028 45.111 45.100 -0.028 0.000 0.706 459 G HN 0.387 nan 8.290 nan 0.000 0.499 460 Y N -0.715 119.607 120.300 0.037 0.000 2.662 460 Y HA 0.698 5.249 4.550 0.000 0.000 0.335 460 Y C 0.212 176.097 175.900 -0.024 0.000 1.066 460 Y CA -1.383 56.719 58.100 0.003 0.000 1.116 460 Y CB 0.968 39.416 38.460 -0.020 0.000 1.308 460 Y HN -0.036 nan 8.280 nan 0.000 0.502 461 E N 0.837 121.110 120.200 0.123 0.000 2.052 461 E HA 0.181 4.531 4.350 0.001 0.000 0.283 461 E C 0.869 177.485 176.600 0.026 0.000 1.071 461 E CA 0.016 56.446 56.400 0.051 0.000 0.851 461 E CB 1.067 30.783 29.700 0.027 0.000 1.066 461 E HN 0.930 nan 8.360 nan 0.000 0.396 462 G N 3.075 111.892 108.800 0.029 0.000 2.672 462 G HA2 -0.374 3.586 3.960 0.001 0.000 0.218 462 G HA3 -0.374 3.586 3.960 0.001 0.000 0.218 462 G C 1.558 176.459 174.900 0.002 0.000 1.238 462 G CA 1.209 46.318 45.100 0.013 0.000 0.791 462 G HN 0.500 nan 8.290 nan 0.000 0.606 463 S N -0.061 115.644 115.700 0.008 0.000 2.365 463 S HA -0.171 4.299 4.470 0.001 0.000 0.225 463 S C 2.465 177.069 174.600 0.006 0.000 1.039 463 S CA 1.353 59.558 58.200 0.008 0.000 1.033 463 S CB -0.547 62.657 63.200 0.008 0.000 0.887 463 S HN 0.211 nan 8.310 nan 0.000 0.447 464 V N 2.219 122.135 119.914 0.003 0.000 2.219 464 V HA -0.238 3.882 4.120 0.001 0.000 0.248 464 V C 2.139 178.238 176.094 0.009 0.000 1.053 464 V CA 2.029 64.330 62.300 0.003 0.000 1.009 464 V CB -0.696 31.131 31.823 0.006 0.000 0.636 464 V HN 0.446 nan 8.190 nan 0.000 0.445 465 I N -0.393 120.163 120.570 -0.024 0.000 2.151 465 I HA -0.252 3.918 4.170 0.001 0.000 0.243 465 I C 2.364 178.521 176.117 0.066 0.000 1.080 465 I CA 1.441 62.730 61.300 -0.018 0.000 1.339 465 I CB -0.488 37.280 38.000 -0.386 0.000 1.039 465 I HN 0.162 nan 8.210 nan 0.000 0.409 466 V N 0.332 120.257 119.914 0.019 0.000 2.469 466 V HA -0.291 3.830 4.120 0.001 0.000 0.251 466 V C 2.511 178.642 176.094 0.062 0.000 1.064 466 V CA 1.617 63.941 62.300 0.040 0.000 1.066 466 V CB -0.661 31.175 31.823 0.022 0.000 0.667 466 V HN 0.460 nan 8.190 nan 0.000 0.461 467 Q N -0.344 119.485 119.800 0.047 0.000 2.016 467 Q HA -0.228 4.112 4.340 0.001 0.000 0.200 467 Q C 2.273 178.302 176.000 0.048 0.000 0.978 467 Q CA 1.832 57.657 55.803 0.037 0.000 0.833 467 Q CB -0.508 28.238 28.738 0.014 0.000 0.895 467 Q HN 0.730 nan 8.270 nan 0.000 0.427 468 Q N 0.080 119.901 119.800 0.034 0.000 2.181 468 Q HA -0.129 4.211 4.340 0.001 0.000 0.205 468 Q C 2.048 178.139 176.000 0.151 0.000 0.980 468 Q CA 0.938 56.725 55.803 -0.027 0.000 0.862 468 Q CB -0.023 28.499 28.738 -0.360 0.000 0.905 468 Q HN 0.362 nan 8.270 nan 0.000 0.429 469 I N -0.021 120.701 120.570 0.253 0.000 2.193 469 I HA -0.282 3.888 4.170 0.001 0.000 0.240 469 I C 1.968 178.223 176.117 0.230 0.000 1.084 469 I CA 0.889 62.356 61.300 0.280 0.000 1.365 469 I CB -0.167 37.936 38.000 0.172 0.000 1.064 469 I HN 0.238 nan 8.210 nan 0.000 0.410 470 L N 0.558 121.864 121.223 0.138 0.000 2.450 470 L HA -0.153 4.187 4.340 0.001 0.000 0.224 470 L C 2.581 179.502 176.870 0.085 0.000 1.149 470 L CA 0.643 55.542 54.840 0.098 0.000 0.816 470 L CB -0.593 41.503 42.059 0.063 0.000 0.932 470 L HN 0.245 nan 8.230 nan 0.000 0.449 471 A N -0.078 122.797 122.820 0.092 0.000 1.821 471 A HA -0.180 4.140 4.320 0.001 0.000 0.215 471 A C 1.315 178.921 177.584 0.036 0.000 1.214 471 A CA 0.532 52.597 52.037 0.047 0.000 0.608 471 A CB -0.426 18.586 19.000 0.021 0.000 0.862 471 A HN 0.325 nan 8.150 nan 0.000 0.448 472 E N 1.194 121.423 120.200 0.047 0.000 2.059 472 E HA 0.142 4.492 4.350 0.001 0.000 0.262 472 E C 0.134 176.745 176.600 0.018 0.000 1.230 472 E CA 0.470 56.832 56.400 -0.065 0.000 0.951 472 E CB 0.057 29.522 29.700 -0.392 0.000 1.038 472 E HN 0.483 nan 8.360 nan 0.000 0.425 473 T N 1.044 115.599 114.554 0.002 0.000 3.251 473 T HA 0.199 4.549 4.350 0.001 0.000 0.259 473 T C 0.774 175.477 174.700 0.004 0.000 0.998 473 T CA -0.432 61.681 62.100 0.023 0.000 0.905 473 T CB 0.225 69.105 68.868 0.021 0.000 1.067 473 T HN 0.282 nan 8.240 nan 0.000 0.569 474 K N 1.533 121.919 120.400 -0.022 0.000 2.029 474 K HA 0.090 4.411 4.320 0.001 0.000 0.205 474 K C 0.742 177.341 176.600 -0.001 0.000 1.042 474 K CA 0.563 56.836 56.287 -0.024 0.000 0.949 474 K CB -0.059 32.409 32.500 -0.054 0.000 0.740 474 K HN 0.302 nan 8.250 nan 0.000 0.442 475 N N 1.465 120.170 118.700 0.007 0.000 2.511 475 N HA 0.110 4.850 4.740 0.001 0.000 0.249 475 N C -2.106 173.463 175.510 0.098 0.000 0.971 475 N CA -2.306 50.771 53.050 0.045 0.000 0.938 475 N CB 1.407 39.919 38.487 0.042 0.000 1.131 475 N HN -0.183 nan 8.380 nan 0.000 0.505 476 P HA -0.177 nan 4.420 nan 0.000 0.220 476 P C 0.448 177.813 177.300 0.108 0.000 1.144 476 P CA 1.026 64.181 63.100 0.092 0.000 0.800 476 P CB 0.320 32.055 31.700 0.057 0.000 0.772 477 R N -1.781 118.781 120.500 0.104 0.000 2.357 477 R HA -0.045 4.295 4.340 0.001 0.000 0.202 477 R C 0.602 176.992 176.300 0.148 0.000 1.047 477 R CA -0.053 56.104 56.100 0.095 0.000 1.034 477 R CB -0.713 29.632 30.300 0.074 0.000 0.875 477 R HN 0.243 nan 8.270 nan 0.000 0.473 478 Y N 0.816 121.148 120.300 0.054 0.000 2.436 478 Y HA 0.357 4.907 4.550 0.001 0.000 0.336 478 Y C 0.432 176.403 175.900 0.119 0.000 1.049 478 Y CA -0.195 57.961 58.100 0.092 0.000 1.294 478 Y CB 0.644 39.163 38.460 0.099 0.000 1.179 478 Y HN 0.032 nan 8.280 nan 0.000 0.520 479 G N 4.611 113.204 108.800 -0.345 0.000 2.687 479 G HA2 0.358 4.319 3.960 0.001 0.000 0.291 479 G HA3 0.358 4.319 3.960 0.001 0.000 0.291 479 G C -2.269 172.380 174.900 -0.418 0.000 1.420 479 G CA -0.925 43.992 45.100 -0.306 0.000 0.796 479 G HN 0.458 nan 8.290 nan 0.000 0.485 480 F N 1.585 121.151 119.950 -0.640 0.000 2.410 480 F HA 0.530 5.057 4.527 0.000 0.000 0.349 480 F C 0.201 175.673 175.800 -0.547 0.000 1.117 480 F CA -1.700 55.744 58.000 -0.926 0.000 1.104 480 F CB 1.671 40.001 39.000 -1.118 0.000 1.122 480 F HN 0.307 nan 8.300 nan 0.000 0.483 481 N N 5.181 123.206 118.700 -1.125 0.000 2.719 481 N HA 0.156 4.896 4.740 0.001 0.000 0.243 481 N C 0.712 175.466 175.510 -1.259 0.000 1.104 481 N CA 0.379 52.912 53.050 -0.862 0.000 0.981 481 N CB 0.897 39.065 38.487 -0.531 0.000 1.290 481 N HN 0.811 nan 8.380 nan 0.000 0.513 482 A N 2.629 124.785 122.820 -1.106 0.000 2.245 482 A HA -0.106 4.215 4.320 0.001 0.000 0.217 482 A C 1.861 179.171 177.584 -0.457 0.000 1.171 482 A CA 1.770 53.307 52.037 -0.833 0.000 0.688 482 A CB -0.215 18.596 19.000 -0.315 0.000 0.781 482 A HN 0.658 nan 8.150 nan 0.000 0.479 483 A N -1.141 121.443 122.820 -0.394 0.000 1.997 483 A HA 0.147 4.467 4.320 0.001 0.000 0.212 483 A C 2.181 179.667 177.584 -0.164 0.000 1.178 483 A CA 1.732 53.646 52.037 -0.206 0.000 0.698 483 A CB -0.405 18.496 19.000 -0.166 0.000 0.842 483 A HN 0.718 nan 8.150 nan 0.000 0.458 484 T N -5.257 109.152 114.554 -0.242 0.000 2.990 484 T HA 0.412 4.762 4.350 0.001 0.000 0.250 484 T C 1.267 175.903 174.700 -0.107 0.000 1.041 484 T CA 1.127 63.143 62.100 -0.140 0.000 1.010 484 T CB 0.207 68.995 68.868 -0.134 0.000 1.003 484 T HN 1.673 nan 8.240 nan 0.000 0.499 485 G N 1.403 110.020 108.800 -0.304 0.000 2.212 485 G HA2 -0.156 3.805 3.960 0.001 0.000 0.255 485 G HA3 -0.156 3.805 3.960 0.001 0.000 0.255 485 G C -0.467 174.475 174.900 0.070 0.000 1.062 485 G CA -0.012 45.018 45.100 -0.117 0.000 0.815 485 G HN 0.690 nan 8.290 nan 0.000 0.497 486 E N -1.164 118.926 120.200 -0.183 0.000 2.331 486 E HA 0.552 4.903 4.350 0.001 0.000 0.275 486 E C -0.773 175.821 176.600 -0.010 0.000 0.895 486 E CA -1.042 55.406 56.400 0.080 0.000 0.753 486 E CB 1.427 31.162 29.700 0.059 0.000 1.216 486 E HN 0.054 nan 8.360 nan 0.000 0.434 487 F N 1.736 121.766 119.950 0.134 0.000 2.443 487 F HA 0.320 4.847 4.527 0.001 0.000 0.353 487 F C 0.689 176.511 175.800 0.038 0.000 1.101 487 F CA -0.218 57.796 58.000 0.024 0.000 1.226 487 F CB 0.929 39.942 39.000 0.021 0.000 1.140 487 F HN 0.217 nan 8.300 nan 0.000 0.557 488 V N -0.914 119.040 119.914 0.067 0.000 3.130 488 V HA 0.455 4.575 4.120 0.001 0.000 0.308 488 V C -1.263 174.906 176.094 0.124 0.000 1.413 488 V CA -1.144 61.231 62.300 0.124 0.000 1.053 488 V CB 1.789 33.621 31.823 0.016 0.000 1.075 488 V HN 0.575 nan 8.190 nan 0.000 0.465 489 D N 1.524 122.000 120.400 0.126 0.000 2.365 489 D HA 0.214 4.854 4.640 0.001 0.000 0.237 489 D C 1.213 177.533 176.300 0.033 0.000 1.190 489 D CA -0.406 53.661 54.000 0.112 0.000 0.867 489 D CB 1.359 42.216 40.800 0.095 0.000 1.050 489 D HN 0.533 nan 8.370 nan 0.000 0.491 490 M N 3.104 122.708 119.600 0.005 0.000 2.089 490 M HA -0.194 4.286 4.480 0.001 0.000 0.257 490 M C 2.046 178.332 176.300 -0.023 0.000 1.071 490 M CA 1.172 56.451 55.300 -0.035 0.000 1.096 490 M CB -0.987 31.588 32.600 -0.043 0.000 1.330 490 M HN 0.315 nan 8.290 nan 0.000 0.403 491 V N -0.062 119.851 119.914 -0.002 0.000 2.307 491 V HA -0.243 3.877 4.120 0.001 0.000 0.245 491 V C 2.406 178.498 176.094 -0.003 0.000 1.045 491 V CA 2.080 64.379 62.300 -0.002 0.000 1.024 491 V CB -0.802 31.026 31.823 0.008 0.000 0.651 491 V HN 0.526 nan 8.190 nan 0.000 0.449 492 E N 0.337 120.541 120.200 0.007 0.000 2.153 492 E HA -0.212 4.138 4.350 0.001 0.000 0.194 492 E C 2.049 178.646 176.600 -0.005 0.000 0.988 492 E CA 1.283 57.687 56.400 0.006 0.000 0.811 492 E CB -0.168 29.543 29.700 0.019 0.000 0.746 492 E HN 0.579 nan 8.360 nan 0.000 0.466 493 A N 0.013 122.825 122.820 -0.014 0.000 2.167 493 A HA 0.158 4.478 4.320 0.001 0.000 0.214 493 A C 1.735 179.294 177.584 -0.042 0.000 1.151 493 A CA 1.048 53.065 52.037 -0.033 0.000 0.735 493 A CB -0.410 18.558 19.000 -0.054 0.000 0.802 493 A HN 0.484 nan 8.150 nan 0.000 0.467 494 G N -1.033 107.746 108.800 -0.034 0.000 2.136 494 G HA2 -0.207 3.753 3.960 0.001 0.000 0.242 494 G HA3 -0.207 3.753 3.960 0.001 0.000 0.242 494 G C 0.086 174.957 174.900 -0.048 0.000 0.989 494 G CA 0.219 45.297 45.100 -0.036 0.000 0.682 494 G HN 0.534 nan 8.290 nan 0.000 0.522 495 I N 1.589 122.125 120.570 -0.057 0.000 2.317 495 I HA 0.411 4.581 4.170 0.001 0.000 0.286 495 I C 0.689 176.774 176.117 -0.053 0.000 1.119 495 I CA -0.875 60.384 61.300 -0.069 0.000 1.228 495 I CB 0.597 38.538 38.000 -0.099 0.000 1.476 495 I HN 0.156 nan 8.210 nan 0.000 0.514 496 V N 0.484 120.372 119.914 -0.043 0.000 3.046 496 V HA 0.702 4.823 4.120 0.001 0.000 0.316 496 V C -0.818 175.257 176.094 -0.031 0.000 1.104 496 V CA -0.657 61.624 62.300 -0.032 0.000 1.006 496 V CB 2.643 34.453 31.823 -0.023 0.000 1.058 496 V HN 0.230 nan 8.190 nan 0.000 0.440 497 D N 1.485 121.871 120.400 -0.024 0.000 2.738 497 D HA 0.485 5.125 4.640 0.001 0.000 0.237 497 D C -3.030 173.261 176.300 -0.015 0.000 1.123 497 D CA -1.306 52.681 54.000 -0.021 0.000 0.856 497 D CB 2.589 43.376 40.800 -0.021 0.000 1.552 497 D HN 0.490 nan 8.370 nan 0.000 0.480 498 P HA 0.047 nan 4.420 nan 0.000 0.265 498 P C 0.492 177.788 177.300 -0.007 0.000 1.222 498 P CA -0.068 63.026 63.100 -0.010 0.000 0.767 498 P CB 0.704 32.398 31.700 -0.010 0.000 0.801 499 A N 4.951 127.769 122.820 -0.004 0.000 2.042 499 A HA -0.252 4.068 4.320 0.001 0.000 0.222 499 A C 2.220 179.804 177.584 -0.001 0.000 1.167 499 A CA 1.755 53.791 52.037 -0.002 0.000 0.649 499 A CB -0.968 18.032 19.000 -0.000 0.000 0.809 499 A HN 0.527 nan 8.150 nan 0.000 0.457 500 K N -0.054 120.345 120.400 -0.002 0.000 2.025 500 K HA -0.120 4.200 4.320 0.001 0.000 0.207 500 K C 2.005 178.605 176.600 -0.001 0.000 1.049 500 K CA 1.788 58.074 56.287 -0.001 0.000 0.933 500 K CB -0.412 32.088 32.500 -0.001 0.000 0.714 500 K HN 0.469 nan 8.250 nan 0.000 0.438 501 V N -1.020 118.892 119.914 -0.003 0.000 2.261 501 V HA -0.210 3.911 4.120 0.001 0.000 0.246 501 V C 2.013 178.106 176.094 -0.001 0.000 1.047 501 V CA 2.283 64.582 62.300 -0.002 0.000 1.015 501 V CB -1.389 30.431 31.823 -0.005 0.000 0.642 501 V HN 0.243 nan 8.190 nan 0.000 0.446 502 T N 0.529 115.082 114.554 -0.002 0.000 2.607 502 T HA -0.283 4.067 4.350 0.001 0.000 0.267 502 T C 2.017 176.717 174.700 0.001 0.000 1.049 502 T CA 2.706 64.805 62.100 -0.001 0.000 1.162 502 T CB -0.480 68.387 68.868 -0.002 0.000 0.863 502 T HN 0.619 nan 8.240 nan 0.000 0.424 503 R N 0.708 121.209 120.500 0.002 0.000 2.096 503 R HA -0.139 4.201 4.340 0.001 0.000 0.240 503 R C 2.574 178.876 176.300 0.003 0.000 1.139 503 R CA 1.980 58.082 56.100 0.003 0.000 0.952 503 R CB -0.425 29.876 30.300 0.003 0.000 0.854 503 R HN 0.291 nan 8.270 nan 0.000 0.436 504 S N 0.623 116.325 115.700 0.003 0.000 2.344 504 S HA -0.152 4.318 4.470 0.001 0.000 0.217 504 S C 2.086 176.689 174.600 0.004 0.000 1.033 504 S CA 1.181 59.383 58.200 0.003 0.000 1.017 504 S CB -0.560 62.642 63.200 0.003 0.000 0.941 504 S HN 0.595 nan 8.310 nan 0.000 0.430 505 A N 1.897 124.719 122.820 0.004 0.000 1.894 505 A HA -0.219 4.101 4.320 0.001 0.000 0.220 505 A C 2.183 179.770 177.584 0.004 0.000 1.237 505 A CA 2.173 54.212 52.037 0.004 0.000 0.660 505 A CB -1.157 17.845 19.000 0.003 0.000 0.835 505 A HN 0.440 nan 8.150 nan 0.000 0.461 506 L N -0.266 120.959 121.223 0.004 0.000 2.046 506 L HA -0.207 4.133 4.340 0.001 0.000 0.208 506 L C 2.431 179.304 176.870 0.005 0.000 1.077 506 L CA 2.571 57.414 54.840 0.005 0.000 0.747 506 L CB -0.950 41.112 42.059 0.005 0.000 0.896 506 L HN 0.567 nan 8.230 nan 0.000 0.432 507 Q N -0.707 119.095 119.800 0.005 0.000 2.167 507 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 507 Q C 1.902 177.905 176.000 0.005 0.000 0.970 507 Q CA 1.453 57.259 55.803 0.005 0.000 0.855 507 Q CB -0.211 28.530 28.738 0.004 0.000 0.911 507 Q HN 0.608 nan 8.270 nan 0.000 0.438 508 N N 0.590 119.293 118.700 0.005 0.000 2.135 508 N HA -0.068 4.672 4.740 0.001 0.000 0.186 508 N C 1.724 177.237 175.510 0.005 0.000 1.027 508 N CA 1.210 54.263 53.050 0.005 0.000 0.849 508 N CB -0.302 38.188 38.487 0.005 0.000 1.002 508 N HN 0.194 nan 8.380 nan 0.000 0.425 509 A N 1.424 124.247 122.820 0.005 0.000 1.865 509 A HA -0.062 4.258 4.320 0.001 0.000 0.217 509 A C 2.339 179.926 177.584 0.005 0.000 1.191 509 A CA 2.284 54.324 52.037 0.005 0.000 0.623 509 A CB -1.057 17.946 19.000 0.005 0.000 0.826 509 A HN 0.318 nan 8.150 nan 0.000 0.444 510 A N -1.102 121.721 122.820 0.005 0.000 2.070 510 A HA -0.064 4.256 4.320 0.001 0.000 0.220 510 A C 2.396 179.982 177.584 0.004 0.000 1.159 510 A CA 2.110 54.150 52.037 0.005 0.000 0.656 510 A CB -0.756 18.247 19.000 0.005 0.000 0.800 510 A HN 0.561 nan 8.150 nan 0.000 0.453 511 S N -0.567 115.136 115.700 0.004 0.000 2.345 511 S HA -0.077 4.394 4.470 0.001 0.000 0.219 511 S C 1.886 176.488 174.600 0.003 0.000 1.031 511 S CA 1.300 59.503 58.200 0.004 0.000 0.984 511 S CB -0.301 62.901 63.200 0.004 0.000 0.874 511 S HN 0.401 nan 8.310 nan 0.000 0.451 512 I N 1.706 122.278 120.570 0.003 0.000 2.233 512 I HA 0.001 4.171 4.170 0.001 0.000 0.243 512 I C 2.736 178.854 176.117 0.003 0.000 1.093 512 I CA 1.318 62.620 61.300 0.003 0.000 1.380 512 I CB -2.164 35.838 38.000 0.003 0.000 1.067 512 I HN 0.426 nan 8.210 nan 0.000 0.413 513 G N 1.283 110.085 108.800 0.003 0.000 2.586 513 G HA2 -0.326 3.635 3.960 0.001 0.000 0.218 513 G HA3 -0.326 3.635 3.960 0.001 0.000 0.218 513 G C 1.872 176.774 174.900 0.004 0.000 1.216 513 G CA 1.627 46.730 45.100 0.004 0.000 0.786 513 G HN 0.481 nan 8.290 nan 0.000 0.583 514 A N 0.356 123.178 122.820 0.004 0.000 1.927 514 A HA -0.066 4.254 4.320 0.001 0.000 0.220 514 A C 2.442 180.028 177.584 0.004 0.000 1.185 514 A CA 1.743 53.783 52.037 0.004 0.000 0.639 514 A CB -0.485 18.518 19.000 0.004 0.000 0.820 514 A HN 0.324 nan 8.150 nan 0.000 0.451 515 L N -0.283 120.942 121.223 0.003 0.000 1.990 515 L HA -0.222 4.118 4.340 0.001 0.000 0.213 515 L C 2.593 179.463 176.870 0.000 0.000 1.072 515 L CA 2.067 56.908 54.840 0.001 0.000 0.755 515 L CB -1.298 40.761 42.059 0.000 0.000 0.889 515 L HN 0.462 nan 8.230 nan 0.000 0.432 516 I N -0.143 120.427 120.570 0.001 0.000 2.113 516 I HA -0.386 3.785 4.170 0.001 0.000 0.242 516 I C 2.453 178.571 176.117 0.002 0.000 1.064 516 I CA 1.305 62.606 61.300 0.000 0.000 1.320 516 I CB -0.428 37.573 38.000 0.002 0.000 1.028 516 I HN 0.257 nan 8.210 nan 0.000 0.406 517 L N 0.453 121.679 121.223 0.004 0.000 2.351 517 L HA -0.194 4.146 4.340 0.001 0.000 0.220 517 L C 2.283 179.157 176.870 0.007 0.000 1.127 517 L CA 1.707 56.551 54.840 0.006 0.000 0.786 517 L CB -1.330 40.733 42.059 0.007 0.000 0.914 517 L HN 0.492 nan 8.230 nan 0.000 0.443 518 T N -5.213 109.344 114.554 0.005 0.000 3.122 518 T HA 0.067 4.417 4.350 0.001 0.000 0.250 518 T C 0.753 175.455 174.700 0.003 0.000 1.067 518 T CA -0.287 61.816 62.100 0.005 0.000 0.966 518 T CB -0.430 68.441 68.868 0.004 0.000 1.002 518 T HN 0.068 nan 8.240 nan 0.000 0.542 519 T N 2.629 117.183 114.554 0.000 0.000 2.901 519 T HA 0.315 4.665 4.350 0.001 0.000 0.301 519 T C 0.608 175.309 174.700 0.002 0.000 1.012 519 T CA -0.198 61.898 62.100 -0.008 0.000 1.135 519 T CB 1.397 70.259 68.868 -0.011 0.000 0.936 519 T HN 0.297 nan 8.240 nan 0.000 0.539 520 E N 0.537 120.733 120.200 -0.006 0.000 2.702 520 E HA 0.483 4.833 4.350 0.001 0.000 0.225 520 E C -0.276 176.315 176.600 -0.015 0.000 0.942 520 E CA -0.091 56.324 56.400 0.025 0.000 1.210 520 E CB 0.676 30.405 29.700 0.049 0.000 1.143 520 E HN 0.804 nan 8.360 nan 0.000 0.544 521 A N -0.658 122.089 122.820 -0.121 0.000 2.601 521 A HA 0.711 5.031 4.320 0.001 0.000 0.291 521 A C -1.637 175.806 177.584 -0.236 0.000 1.075 521 A CA -0.453 51.386 52.037 -0.331 0.000 0.671 521 A CB 1.536 20.231 19.000 -0.508 0.000 1.277 521 A HN 0.042 nan 8.150 nan 0.000 0.417 522 V N 0.317 120.065 119.914 -0.276 0.000 2.851 522 V HA 0.546 4.666 4.120 0.001 0.000 0.307 522 V C -1.041 174.952 176.094 -0.169 0.000 1.129 522 V CA -0.533 61.670 62.300 -0.162 0.000 0.932 522 V CB 2.074 33.841 31.823 -0.094 0.000 1.024 522 V HN 0.928 nan 8.190 nan 0.000 0.426 523 V N 3.837 123.680 119.914 -0.120 0.000 2.304 523 V HA 0.864 4.985 4.120 0.001 0.000 0.278 523 V C 0.340 176.391 176.094 -0.072 0.000 1.018 523 V CA -0.068 62.172 62.300 -0.101 0.000 0.814 523 V CB 1.085 32.853 31.823 -0.091 0.000 1.021 523 V HN 1.053 nan 8.190 nan 0.000 0.440 524 A N 3.901 126.677 122.820 -0.074 0.000 2.392 524 A HA 0.894 5.215 4.320 0.001 0.000 0.283 524 A C -0.316 177.168 177.584 -0.167 0.000 1.197 524 A CA -0.728 51.259 52.037 -0.084 0.000 0.895 524 A CB 0.933 19.914 19.000 -0.032 0.000 1.400 524 A HN 0.555 nan 8.150 nan 0.000 0.461 525 E N 1.188 121.185 120.200 -0.338 0.000 2.316 525 E HA 0.143 4.493 4.350 0.001 0.000 0.275 525 E C -0.454 175.853 176.600 -0.487 0.000 1.029 525 E CA -0.125 55.994 56.400 -0.467 0.000 0.871 525 E CB 0.989 30.297 29.700 -0.654 0.000 1.022 525 E HN 0.478 nan 8.360 nan 0.000 0.418 526 K N 4.749 125.005 120.400 -0.240 0.000 2.451 526 K HA 0.068 4.388 4.320 0.001 0.000 0.280 526 K C -1.716 174.821 176.600 -0.105 0.000 1.020 526 K CA -1.120 55.089 56.287 -0.131 0.000 1.008 526 K CB 0.266 32.726 32.500 -0.067 0.000 0.917 526 K HN 0.289 nan 8.250 nan 0.000 0.478 527 P HA 0.000 nan 4.420 nan 0.000 0.216 527 P CA 0.000 63.148 63.100 0.081 0.000 0.800 527 P CB 0.000 31.743 31.700 0.071 0.000 0.726