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 3ab4_1_M DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTGXXXX DATA SEQUENCE XXXXXXXXXX XXXDVTPGRV REALDEGKIC IVAGFXXXXX XXXXVTTLGR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVF DATA SEQUENCE XXXXGTTDIT FTCPRSDGRR AMEILKKLQV QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.589 177.584 0.008 0.000 1.274 2 A CA 0.000 52.042 52.037 0.008 0.000 0.836 2 A CB 0.000 19.005 19.000 0.009 0.000 0.831 3 L N 2.054 123.280 121.223 0.005 0.000 2.283 3 L HA 0.607 4.947 4.340 0.001 0.000 0.287 3 L C -0.562 176.310 176.870 0.003 0.000 1.073 3 L CA -0.499 54.341 54.840 0.000 0.000 0.822 3 L CB 0.776 42.830 42.059 -0.008 0.000 1.186 3 L HN 0.923 nan 8.230 nan 0.000 0.436 4 V N 6.251 126.170 119.914 0.009 0.000 2.487 4 V HA 0.512 4.632 4.120 0.001 0.000 0.298 4 V C -0.632 175.473 176.094 0.018 0.000 1.028 4 V CA -0.395 61.914 62.300 0.016 0.000 0.860 4 V CB 2.064 33.907 31.823 0.033 0.000 0.991 4 V HN 0.423 nan 8.190 nan 0.000 0.427 5 V N 6.717 126.634 119.914 0.005 0.000 2.539 5 V HA 0.561 4.682 4.120 0.001 0.000 0.292 5 V C -0.064 176.040 176.094 0.017 0.000 1.045 5 V CA -0.381 61.920 62.300 0.001 0.000 0.945 5 V CB 1.514 33.317 31.823 -0.033 0.000 0.993 5 V HN 1.006 nan 8.190 nan 0.000 0.464 6 Q N 3.387 123.208 119.800 0.036 0.000 2.304 6 Q HA 0.471 4.812 4.340 0.001 0.000 0.270 6 Q C -0.943 175.029 176.000 -0.047 0.000 1.035 6 Q CA -0.750 55.063 55.803 0.017 0.000 0.781 6 Q CB 2.948 31.740 28.738 0.089 0.000 1.261 6 Q HN 0.515 nan 8.270 nan 0.000 0.444 7 K N 2.911 123.232 120.400 -0.131 0.000 2.274 7 K HA 0.362 4.682 4.320 0.001 0.000 0.262 7 K C -1.716 174.755 176.600 -0.215 0.000 0.961 7 K CA -0.466 55.770 56.287 -0.085 0.000 0.833 7 K CB 0.886 33.364 32.500 -0.037 0.000 1.102 7 K HN 0.574 nan 8.250 nan 0.000 0.436 8 Y N 0.793 121.158 120.300 0.107 0.000 2.352 8 Y HA 0.374 4.924 4.550 0.001 0.000 0.339 8 Y C 1.044 176.992 175.900 0.080 0.000 0.992 8 Y CA -0.439 57.719 58.100 0.097 0.000 1.100 8 Y CB 1.934 40.393 38.460 -0.002 0.000 1.192 8 Y HN 0.731 nan 8.280 nan 0.000 0.458 9 G N 0.678 109.610 108.800 0.219 0.000 2.588 9 G HA2 0.348 4.308 3.960 0.001 0.000 0.281 9 G HA3 0.348 4.308 3.960 0.001 0.000 0.281 9 G C 1.045 176.033 174.900 0.146 0.000 1.236 9 G CA -0.232 44.959 45.100 0.153 0.000 0.969 9 G HN 0.865 nan 8.290 nan 0.000 0.504 10 G N -0.381 108.484 108.800 0.108 0.000 2.422 10 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 10 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 10 G C 2.139 177.101 174.900 0.103 0.000 1.146 10 G CA 1.893 47.047 45.100 0.090 0.000 0.769 10 G HN 0.903 nan 8.290 nan 0.000 0.547 11 S N 0.558 116.333 115.700 0.125 0.000 2.383 11 S HA -0.071 4.400 4.470 0.001 0.000 0.227 11 S C 2.386 177.117 174.600 0.217 0.000 1.026 11 S CA 1.615 59.906 58.200 0.151 0.000 0.981 11 S CB -0.405 62.883 63.200 0.145 0.000 0.818 11 S HN 0.203 nan 8.310 nan 0.000 0.472 12 S N 1.545 117.380 115.700 0.224 0.000 2.423 12 S HA 0.217 4.688 4.470 0.001 0.000 0.231 12 S C 1.073 175.704 174.600 0.052 0.000 1.014 12 S CA 0.779 59.080 58.200 0.167 0.000 0.965 12 S CB -0.341 62.995 63.200 0.228 0.000 0.785 12 S HN 0.488 nan 8.310 nan 0.000 0.495 13 L N 1.212 122.474 121.223 0.066 0.000 3.154 13 L HA 0.306 4.647 4.340 0.001 0.000 0.266 13 L C 1.570 178.456 176.870 0.026 0.000 1.300 13 L CA -0.002 54.847 54.840 0.015 0.000 1.028 13 L CB 0.084 42.156 42.059 0.020 0.000 1.412 13 L HN 0.272 nan 8.230 nan 0.000 0.564 14 E N 0.837 121.065 120.200 0.047 0.000 2.385 14 E HA -0.005 4.345 4.350 0.001 0.000 0.194 14 E C 0.512 177.131 176.600 0.032 0.000 1.013 14 E CA 0.456 56.886 56.400 0.050 0.000 0.866 14 E CB 0.597 30.343 29.700 0.077 0.000 0.832 14 E HN 0.445 nan 8.360 nan 0.000 0.500 15 S N -1.806 113.906 115.700 0.020 0.000 2.638 15 S HA 0.634 5.104 4.470 0.001 0.000 0.274 15 S C 0.815 175.409 174.600 -0.010 0.000 1.157 15 S CA -0.414 57.791 58.200 0.009 0.000 0.826 15 S CB 1.137 64.348 63.200 0.018 0.000 1.139 15 S HN 0.062 nan 8.310 nan 0.000 0.474 16 A N 0.667 123.479 122.820 -0.012 0.000 1.948 16 A HA -0.136 4.184 4.320 0.001 0.000 0.220 16 A C 1.950 179.514 177.584 -0.033 0.000 1.177 16 A CA 2.030 54.053 52.037 -0.023 0.000 0.636 16 A CB -1.155 17.834 19.000 -0.018 0.000 0.815 16 A HN 0.924 nan 8.150 nan 0.000 0.449 17 E N -0.699 119.487 120.200 -0.023 0.000 2.110 17 E HA -0.183 4.167 4.350 0.001 0.000 0.193 17 E C 2.131 178.699 176.600 -0.053 0.000 0.988 17 E CA 0.877 57.260 56.400 -0.028 0.000 0.804 17 E CB -0.026 29.670 29.700 -0.007 0.000 0.745 17 E HN 0.496 nan 8.360 nan 0.000 0.458 18 R N -0.077 120.390 120.500 -0.054 0.000 2.161 18 R HA 0.047 4.387 4.340 0.001 0.000 0.213 18 R C 2.403 178.614 176.300 -0.147 0.000 1.055 18 R CA 0.281 56.319 56.100 -0.104 0.000 0.996 18 R CB -0.327 29.935 30.300 -0.064 0.000 0.901 18 R HN 0.279 nan 8.270 nan 0.000 0.456 19 I N 0.988 121.490 120.570 -0.113 0.000 2.179 19 I HA -0.274 3.897 4.170 0.001 0.000 0.242 19 I C 2.574 178.597 176.117 -0.156 0.000 1.088 19 I CA 1.474 62.691 61.300 -0.137 0.000 1.357 19 I CB -0.231 37.715 38.000 -0.090 0.000 1.051 19 I HN 0.086 nan 8.210 nan 0.000 0.409 20 R N 0.359 120.790 120.500 -0.116 0.000 2.096 20 R HA -0.181 4.160 4.340 0.001 0.000 0.235 20 R C 2.214 178.434 176.300 -0.133 0.000 1.127 20 R CA 1.421 57.456 56.100 -0.108 0.000 0.968 20 R CB -0.596 29.659 30.300 -0.074 0.000 0.861 20 R HN 0.456 nan 8.270 nan 0.000 0.440 21 N N 0.859 119.472 118.700 -0.146 0.000 2.084 21 N HA -0.132 4.608 4.740 0.001 0.000 0.190 21 N C 1.758 177.129 175.510 -0.232 0.000 1.030 21 N CA 1.300 54.250 53.050 -0.167 0.000 0.849 21 N CB 0.068 38.447 38.487 -0.180 0.000 1.012 21 N HN -0.003 nan 8.380 nan 0.000 0.423 22 V N 1.873 121.597 119.914 -0.317 0.000 2.343 22 V HA -0.215 3.905 4.120 0.001 0.000 0.247 22 V C 2.646 178.486 176.094 -0.422 0.000 1.051 22 V CA 1.795 63.791 62.300 -0.507 0.000 1.036 22 V CB -1.085 30.295 31.823 -0.738 0.000 0.654 22 V HN 0.402 nan 8.190 nan 0.000 0.451 23 A N -0.298 122.345 122.820 -0.295 0.000 1.903 23 A HA -0.320 4.001 4.320 0.001 0.000 0.219 23 A C 2.349 179.840 177.584 -0.155 0.000 1.191 23 A CA 2.205 54.120 52.037 -0.204 0.000 0.638 23 A CB -0.601 18.313 19.000 -0.143 0.000 0.823 23 A HN 0.548 nan 8.150 nan 0.000 0.451 24 E N 0.139 120.257 120.200 -0.137 0.000 2.110 24 E HA -0.193 4.157 4.350 0.001 0.000 0.193 24 E C 2.204 178.751 176.600 -0.087 0.000 0.988 24 E CA 1.130 57.473 56.400 -0.095 0.000 0.804 24 E CB -0.233 29.419 29.700 -0.080 0.000 0.745 24 E HN 0.668 nan 8.360 nan 0.000 0.458 25 R N -0.057 120.369 120.500 -0.123 0.000 2.092 25 R HA -0.029 4.311 4.340 0.001 0.000 0.231 25 R C 2.621 178.889 176.300 -0.053 0.000 1.119 25 R CA 1.219 57.266 56.100 -0.088 0.000 0.970 25 R CB -0.211 30.010 30.300 -0.132 0.000 0.864 25 R HN 0.260 nan 8.270 nan 0.000 0.440 26 I N 0.121 120.639 120.570 -0.087 0.000 2.202 26 I HA -0.236 3.934 4.170 0.001 0.000 0.242 26 I C 2.235 178.343 176.117 -0.015 0.000 1.091 26 I CA 1.097 62.378 61.300 -0.032 0.000 1.368 26 I CB -0.233 37.727 38.000 -0.067 0.000 1.058 26 I HN -0.048 nan 8.210 nan 0.000 0.410 27 V N 1.171 121.064 119.914 -0.035 0.000 2.343 27 V HA -0.287 3.833 4.120 0.001 0.000 0.247 27 V C 2.724 178.812 176.094 -0.009 0.000 1.051 27 V CA 1.947 64.234 62.300 -0.021 0.000 1.036 27 V CB -1.058 30.748 31.823 -0.029 0.000 0.654 27 V HN 0.495 nan 8.190 nan 0.000 0.451 28 A N -0.114 122.699 122.820 -0.012 0.000 1.978 28 A HA -0.224 4.097 4.320 0.001 0.000 0.220 28 A C 2.376 179.968 177.584 0.014 0.000 1.170 28 A CA 2.455 54.492 52.037 -0.000 0.000 0.636 28 A CB -0.855 18.144 19.000 -0.002 0.000 0.810 28 A HN 0.531 nan 8.150 nan 0.000 0.448 29 T N -0.406 114.161 114.554 0.023 0.000 2.857 29 T HA -0.098 4.252 4.350 0.001 0.000 0.266 29 T C 1.949 176.667 174.700 0.029 0.000 1.048 29 T CA 1.645 63.768 62.100 0.038 0.000 1.139 29 T CB -0.132 68.773 68.868 0.061 0.000 0.874 29 T HN 0.662 nan 8.240 nan 0.000 0.455 30 K N 2.132 122.545 120.400 0.021 0.000 2.026 30 K HA -0.121 4.199 4.320 0.001 0.000 0.208 30 K C 2.256 178.864 176.600 0.013 0.000 1.048 30 K CA 1.478 57.775 56.287 0.017 0.000 0.929 30 K CB -0.160 32.347 32.500 0.013 0.000 0.713 30 K HN 0.387 nan 8.250 nan 0.000 0.439 31 K N -0.102 120.304 120.400 0.010 0.000 2.283 31 K HA -0.019 4.301 4.320 0.001 0.000 0.202 31 K C 1.701 178.307 176.600 0.010 0.000 1.048 31 K CA 1.246 57.537 56.287 0.008 0.000 0.948 31 K CB -0.226 32.276 32.500 0.004 0.000 0.742 31 K HN 0.166 nan 8.250 nan 0.000 0.458 32 A N 1.271 124.099 122.820 0.013 0.000 2.248 32 A HA 0.141 4.461 4.320 0.001 0.000 0.210 32 A C 1.467 179.059 177.584 0.013 0.000 1.174 32 A CA 0.835 52.880 52.037 0.014 0.000 0.750 32 A CB -0.775 18.237 19.000 0.019 0.000 0.780 32 A HN 0.704 nan 8.150 nan 0.000 0.478 33 G N -1.117 107.690 108.800 0.012 0.000 2.131 33 G HA2 -0.209 3.751 3.960 0.001 0.000 0.201 33 G HA3 -0.209 3.751 3.960 0.001 0.000 0.201 33 G C -0.302 174.605 174.900 0.012 0.000 1.000 33 G CA 0.009 45.116 45.100 0.011 0.000 0.680 33 G HN 0.634 nan 8.290 nan 0.000 0.514 34 N N 0.947 119.656 118.700 0.015 0.000 2.456 34 N HA 0.509 5.250 4.740 0.001 0.000 0.296 34 N C -0.888 174.632 175.510 0.016 0.000 1.102 34 N CA -0.790 52.270 53.050 0.017 0.000 0.924 34 N CB 1.091 39.592 38.487 0.023 0.000 1.186 34 N HN 0.079 nan 8.380 nan 0.000 0.492 35 D N 0.973 121.381 120.400 0.012 0.000 2.304 35 D HA 0.233 4.873 4.640 0.001 0.000 0.250 35 D C -0.647 175.662 176.300 0.014 0.000 1.107 35 D CA -0.065 53.941 54.000 0.011 0.000 0.885 35 D CB 1.610 42.411 40.800 0.002 0.000 1.192 35 D HN 0.152 nan 8.370 nan 0.000 0.436 36 V N 1.826 121.751 119.914 0.019 0.000 2.612 36 V HA 0.541 4.661 4.120 0.001 0.000 0.301 36 V C -1.048 175.063 176.094 0.029 0.000 1.059 36 V CA -0.704 61.613 62.300 0.030 0.000 0.886 36 V CB 1.828 33.677 31.823 0.044 0.000 1.007 36 V HN 0.323 nan 8.190 nan 0.000 0.426 37 V N 6.218 126.146 119.914 0.023 0.000 2.604 37 V HA 0.945 5.065 4.120 0.001 0.000 0.305 37 V C -0.706 175.416 176.094 0.047 0.000 1.043 37 V CA 0.014 62.325 62.300 0.019 0.000 0.888 37 V CB 1.679 33.483 31.823 -0.032 0.000 0.995 37 V HN 1.874 nan 8.190 nan 0.000 0.429 38 V N 5.890 125.847 119.914 0.073 0.000 2.715 38 V HA 0.921 5.041 4.120 0.001 0.000 0.310 38 V C -0.975 175.178 176.094 0.098 0.000 1.054 38 V CA -0.248 62.124 62.300 0.120 0.000 0.928 38 V CB 1.994 33.916 31.823 0.166 0.000 1.007 38 V HN 1.006 nan 8.190 nan 0.000 0.437 39 V N 4.726 124.706 119.914 0.110 0.000 2.709 39 V HA 0.566 4.687 4.120 0.001 0.000 0.308 39 V C -0.422 175.743 176.094 0.119 0.000 1.062 39 V CA -0.382 61.966 62.300 0.081 0.000 0.901 39 V CB 1.766 33.608 31.823 0.031 0.000 1.003 39 V HN 1.149 nan 8.190 nan 0.000 0.425 40 C N 2.501 121.861 119.300 0.100 0.000 2.507 40 C HA 0.689 5.150 4.460 0.001 0.000 0.319 40 C C 0.859 175.898 174.990 0.081 0.000 1.208 40 C CA -0.534 58.552 59.018 0.112 0.000 1.619 40 C CB 1.635 29.426 27.740 0.085 0.000 2.230 40 C HN 0.893 nan 8.230 nan 0.000 0.492 41 S N 1.174 116.928 115.700 0.090 0.000 2.624 41 S HA 0.583 5.053 4.470 0.001 0.000 0.263 41 S C 0.433 175.068 174.600 0.058 0.000 1.287 41 S CA -0.393 57.849 58.200 0.069 0.000 0.990 41 S CB 0.709 63.954 63.200 0.075 0.000 0.950 41 S HN 0.996 nan 8.310 nan 0.000 0.561 42 A N 1.992 124.840 122.820 0.046 0.000 2.425 42 A HA 0.350 4.671 4.320 0.001 0.000 0.242 42 A C 0.345 177.953 177.584 0.041 0.000 1.077 42 A CA -0.157 51.903 52.037 0.038 0.000 0.781 42 A CB -0.223 18.797 19.000 0.032 0.000 1.020 42 A HN 0.807 nan 8.150 nan 0.000 0.494 43 M N 2.096 121.717 119.600 0.034 0.000 2.248 43 M HA 0.279 4.760 4.480 0.001 0.000 0.345 43 M C 1.574 177.897 176.300 0.039 0.000 1.243 43 M CA 1.336 56.657 55.300 0.035 0.000 1.090 43 M CB -0.234 32.380 32.600 0.023 0.000 1.683 43 M HN 1.265 nan 8.290 nan 0.000 0.450 44 G N 2.944 111.773 108.800 0.049 0.000 2.685 44 G HA2 -0.308 3.652 3.960 0.001 0.000 0.329 44 G HA3 -0.308 3.652 3.960 0.001 0.000 0.329 44 G C 0.260 175.186 174.900 0.043 0.000 1.271 44 G CA 0.675 45.805 45.100 0.049 0.000 1.003 44 G HN 0.806 nan 8.290 nan 0.000 0.549 45 D N 1.211 121.632 120.400 0.035 0.000 2.358 45 D HA 0.170 4.810 4.640 0.001 0.000 0.224 45 D C 2.308 178.624 176.300 0.028 0.000 1.123 45 D CA 1.139 55.158 54.000 0.031 0.000 0.833 45 D CB -0.002 40.814 40.800 0.027 0.000 0.946 45 D HN 0.596 nan 8.370 nan 0.000 0.505 46 T N -1.917 112.654 114.554 0.028 0.000 2.867 46 T HA -0.146 4.204 4.350 0.001 0.000 0.268 46 T C 1.895 176.609 174.700 0.024 0.000 1.057 46 T CA 1.422 63.536 62.100 0.024 0.000 1.136 46 T CB -0.216 68.665 68.868 0.022 0.000 0.874 46 T HN -0.086 nan 8.240 nan 0.000 0.466 47 T N 1.824 116.395 114.554 0.028 0.000 2.746 47 T HA -0.089 4.262 4.350 0.001 0.000 0.267 47 T C 1.678 176.393 174.700 0.025 0.000 1.039 47 T CA 1.550 63.667 62.100 0.027 0.000 1.142 47 T CB -0.526 68.361 68.868 0.031 0.000 0.866 47 T HN 0.481 nan 8.240 nan 0.000 0.444 48 D N 0.954 121.369 120.400 0.026 0.000 2.178 48 D HA -0.048 4.592 4.640 0.001 0.000 0.202 48 D C 2.161 178.474 176.300 0.021 0.000 0.974 48 D CA 0.883 54.898 54.000 0.024 0.000 0.841 48 D CB -0.133 40.682 40.800 0.025 0.000 0.953 48 D HN 0.536 nan 8.370 nan 0.000 0.478 49 E N -0.037 120.175 120.200 0.021 0.000 2.106 49 E HA -0.111 4.239 4.350 0.001 0.000 0.192 49 E C 1.884 178.494 176.600 0.017 0.000 0.984 49 E CA 0.311 56.721 56.400 0.018 0.000 0.806 49 E CB 0.142 29.852 29.700 0.017 0.000 0.750 49 E HN 0.084 nan 8.360 nan 0.000 0.458 50 L N 0.513 121.746 121.223 0.018 0.000 2.109 50 L HA -0.112 4.229 4.340 0.001 0.000 0.207 50 L C 2.132 179.013 176.870 0.017 0.000 1.086 50 L CA 1.379 56.229 54.840 0.017 0.000 0.760 50 L CB -0.724 41.346 42.059 0.017 0.000 0.910 50 L HN 0.185 nan 8.230 nan 0.000 0.437 51 L N -0.704 120.530 121.223 0.019 0.000 2.046 51 L HA -0.247 4.093 4.340 0.001 0.000 0.208 51 L C 2.549 179.429 176.870 0.017 0.000 1.077 51 L CA 1.558 56.409 54.840 0.019 0.000 0.747 51 L CB -0.406 41.666 42.059 0.021 0.000 0.896 51 L HN 0.401 nan 8.230 nan 0.000 0.432 52 E N 0.230 120.441 120.200 0.017 0.000 2.047 52 E HA -0.247 4.104 4.350 0.001 0.000 0.191 52 E C 2.297 178.905 176.600 0.014 0.000 0.987 52 E CA 0.949 57.359 56.400 0.016 0.000 0.799 52 E CB 0.046 29.755 29.700 0.016 0.000 0.752 52 E HN 0.172 nan 8.360 nan 0.000 0.449 53 L N 1.391 122.622 121.223 0.014 0.000 1.978 53 L HA -0.238 4.103 4.340 0.001 0.000 0.218 53 L C 2.591 179.468 176.870 0.012 0.000 1.075 53 L CA 2.316 57.164 54.840 0.012 0.000 0.767 53 L CB -1.458 40.608 42.059 0.012 0.000 0.890 53 L HN 0.309 nan 8.230 nan 0.000 0.434 54 A N -0.955 121.872 122.820 0.013 0.000 1.873 54 A HA -0.232 4.088 4.320 0.001 0.000 0.218 54 A C 2.411 180.003 177.584 0.012 0.000 1.193 54 A CA 2.405 54.449 52.037 0.013 0.000 0.629 54 A CB -1.102 17.906 19.000 0.014 0.000 0.826 54 A HN 0.474 nan 8.150 nan 0.000 0.447 55 A N -0.755 122.073 122.820 0.013 0.000 2.019 55 A HA 0.230 4.551 4.320 0.001 0.000 0.219 55 A C 2.315 179.906 177.584 0.012 0.000 1.164 55 A CA 1.887 53.932 52.037 0.013 0.000 0.644 55 A CB -0.686 18.323 19.000 0.015 0.000 0.805 55 A HN 1.094 nan 8.150 nan 0.000 0.449 56 A N -1.073 121.754 122.820 0.012 0.000 2.072 56 A HA 0.270 4.590 4.320 0.001 0.000 0.216 56 A C 1.932 179.521 177.584 0.009 0.000 1.156 56 A CA 1.232 53.275 52.037 0.010 0.000 0.701 56 A CB -0.209 18.798 19.000 0.010 0.000 0.816 56 A HN 0.312 nan 8.150 nan 0.000 0.458 57 V N -0.313 119.607 119.914 0.009 0.000 2.992 57 V HA 0.077 4.198 4.120 0.001 0.000 0.250 57 V C 0.692 176.791 176.094 0.008 0.000 1.090 57 V CA 1.253 63.558 62.300 0.009 0.000 1.101 57 V CB -0.544 31.284 31.823 0.009 0.000 0.743 57 V HN 0.693 nan 8.190 nan 0.000 0.468 58 N N 0.440 119.146 118.700 0.009 0.000 2.599 58 N HA 0.282 5.022 4.740 0.001 0.000 0.283 58 N C -3.077 172.439 175.510 0.010 0.000 1.160 58 N CA -1.234 51.821 53.050 0.009 0.000 0.869 58 N CB 2.438 40.931 38.487 0.009 0.000 1.448 58 N HN -0.026 nan 8.380 nan 0.000 0.535 59 P HA 0.009 nan 4.420 nan 0.000 0.269 59 P C -0.156 177.151 177.300 0.011 0.000 1.215 59 P CA 0.237 63.344 63.100 0.011 0.000 0.780 59 P CB 0.665 32.371 31.700 0.010 0.000 0.898 60 V N -0.056 119.865 119.914 0.012 0.000 5.957 60 V HA -0.191 3.930 4.120 0.001 0.000 0.225 60 V C -2.201 173.899 176.094 0.011 0.000 0.661 60 V CA -0.194 62.113 62.300 0.012 0.000 0.571 60 V CB -2.522 29.308 31.823 0.011 0.000 0.361 60 V HN 0.624 nan 8.190 nan 0.000 0.495 61 P HA 0.341 nan 4.420 nan 0.000 0.267 61 P C -2.067 175.240 177.300 0.011 0.000 1.205 61 P CA -0.751 62.356 63.100 0.012 0.000 0.765 61 P CB 0.266 31.974 31.700 0.013 0.000 0.828 62 P HA 0.054 nan 4.420 nan 0.000 0.268 62 P C 0.676 177.983 177.300 0.011 0.000 1.205 62 P CA 0.024 63.131 63.100 0.010 0.000 0.771 62 P CB 0.569 32.274 31.700 0.009 0.000 0.858 63 A N 3.750 126.577 122.820 0.011 0.000 1.940 63 A HA -0.236 4.085 4.320 0.001 0.000 0.219 63 A C 2.235 179.827 177.584 0.013 0.000 1.176 63 A CA 1.738 53.783 52.037 0.013 0.000 0.631 63 A CB -0.900 18.108 19.000 0.013 0.000 0.814 63 A HN 0.584 nan 8.150 nan 0.000 0.446 64 R N 0.104 120.611 120.500 0.012 0.000 2.094 64 R HA -0.199 4.142 4.340 0.001 0.000 0.239 64 R C 1.987 178.294 176.300 0.012 0.000 1.137 64 R CA 2.046 58.153 56.100 0.011 0.000 0.943 64 R CB -0.253 30.053 30.300 0.010 0.000 0.850 64 R HN 0.626 nan 8.270 nan 0.000 0.433 65 E N 0.122 120.328 120.200 0.011 0.000 2.158 65 E HA -0.165 4.185 4.350 0.001 0.000 0.191 65 E C 2.059 178.667 176.600 0.012 0.000 0.982 65 E CA 0.561 56.968 56.400 0.011 0.000 0.823 65 E CB -0.335 29.371 29.700 0.010 0.000 0.766 65 E HN 0.374 nan 8.360 nan 0.000 0.468 66 M N 1.627 121.235 119.600 0.013 0.000 2.149 66 M HA -0.169 4.312 4.480 0.001 0.000 0.261 66 M C 1.806 178.115 176.300 0.016 0.000 1.064 66 M CA 1.693 57.002 55.300 0.015 0.000 1.102 66 M CB -0.693 31.916 32.600 0.015 0.000 1.369 66 M HN 0.079 nan 8.290 nan 0.000 0.408 67 D N -0.129 120.280 120.400 0.016 0.000 2.092 67 D HA -0.181 4.459 4.640 0.001 0.000 0.193 67 D C 1.990 178.300 176.300 0.016 0.000 0.994 67 D CA 1.669 55.679 54.000 0.017 0.000 0.828 67 D CB -0.010 40.800 40.800 0.017 0.000 0.963 67 D HN 0.265 nan 8.370 nan 0.000 0.450 68 M N -0.612 118.997 119.600 0.014 0.000 2.073 68 M HA -0.163 4.317 4.480 0.001 0.000 0.258 68 M C 2.148 178.456 176.300 0.014 0.000 1.070 68 M CA 1.148 56.455 55.300 0.013 0.000 1.103 68 M CB -0.408 32.199 32.600 0.011 0.000 1.321 68 M HN 0.217 nan 8.290 nan 0.000 0.405 69 L N 0.694 121.925 121.223 0.014 0.000 1.956 69 L HA -0.231 4.109 4.340 0.001 0.000 0.216 69 L C 2.139 179.018 176.870 0.016 0.000 1.073 69 L CA 2.007 56.855 54.840 0.014 0.000 0.762 69 L CB -0.819 41.249 42.059 0.014 0.000 0.889 69 L HN 0.285 nan 8.230 nan 0.000 0.433 70 L N -1.530 119.704 121.223 0.018 0.000 2.046 70 L HA -0.200 4.141 4.340 0.001 0.000 0.208 70 L C 2.349 179.232 176.870 0.021 0.000 1.077 70 L CA 1.623 56.475 54.840 0.020 0.000 0.747 70 L CB -1.202 40.870 42.059 0.022 0.000 0.896 70 L HN 0.327 nan 8.230 nan 0.000 0.432 71 T N 0.309 114.875 114.554 0.020 0.000 2.684 71 T HA -0.229 4.121 4.350 0.001 0.000 0.267 71 T C 2.043 176.754 174.700 0.019 0.000 1.036 71 T CA 1.554 63.667 62.100 0.021 0.000 1.148 71 T CB -0.303 68.577 68.868 0.020 0.000 0.863 71 T HN 0.466 nan 8.240 nan 0.000 0.436 72 A N 1.211 124.040 122.820 0.016 0.000 1.978 72 A HA 0.067 4.388 4.320 0.001 0.000 0.220 72 A C 2.582 180.174 177.584 0.014 0.000 1.170 72 A CA 1.918 53.962 52.037 0.013 0.000 0.636 72 A CB -1.268 17.738 19.000 0.011 0.000 0.810 72 A HN 0.536 nan 8.150 nan 0.000 0.448 73 G N -0.582 108.228 108.800 0.017 0.000 2.394 73 G HA2 -0.148 3.813 3.960 0.001 0.000 0.215 73 G HA3 -0.148 3.813 3.960 0.001 0.000 0.215 73 G C 1.407 176.320 174.900 0.021 0.000 1.165 73 G CA 0.865 45.976 45.100 0.018 0.000 0.784 73 G HN 0.648 nan 8.290 nan 0.000 0.535 74 E N -0.086 120.129 120.200 0.024 0.000 2.110 74 E HA -0.090 4.261 4.350 0.001 0.000 0.193 74 E C 2.551 179.166 176.600 0.025 0.000 0.988 74 E CA 0.599 57.016 56.400 0.028 0.000 0.804 74 E CB -0.058 29.661 29.700 0.032 0.000 0.745 74 E HN 0.231 nan 8.360 nan 0.000 0.458 75 R N 1.041 121.554 120.500 0.020 0.000 2.152 75 R HA -0.133 4.208 4.340 0.001 0.000 0.232 75 R C 2.355 178.660 176.300 0.009 0.000 1.117 75 R CA 1.006 57.115 56.100 0.016 0.000 0.981 75 R CB -0.315 29.992 30.300 0.012 0.000 0.870 75 R HN 0.347 nan 8.270 nan 0.000 0.451 76 I N -1.833 118.742 120.570 0.009 0.000 2.353 76 I HA -0.106 4.064 4.170 0.001 0.000 0.248 76 I C 1.758 177.876 176.117 0.002 0.000 1.119 76 I CA 1.469 62.771 61.300 0.004 0.000 1.417 76 I CB -0.292 37.711 38.000 0.004 0.000 1.078 76 I HN -0.071 nan 8.210 nan 0.000 0.421 77 S N 1.746 117.450 115.700 0.007 0.000 2.348 77 S HA -0.177 4.294 4.470 0.001 0.000 0.221 77 S C 1.793 176.393 174.600 -0.001 0.000 1.033 77 S CA 1.883 60.085 58.200 0.004 0.000 1.010 77 S CB -0.676 62.535 63.200 0.019 0.000 0.891 77 S HN 0.556 nan 8.310 nan 0.000 0.442 78 N N 2.040 120.747 118.700 0.011 0.000 2.069 78 N HA -0.147 4.594 4.740 0.001 0.000 0.196 78 N C 1.693 177.202 175.510 -0.002 0.000 1.024 78 N CA 1.612 54.669 53.050 0.012 0.000 0.869 78 N CB -0.719 37.782 38.487 0.024 0.000 1.035 78 N HN 0.449 nan 8.380 nan 0.000 0.434 79 A N 0.468 123.284 122.820 -0.006 0.000 1.898 79 A HA 0.007 4.328 4.320 0.001 0.000 0.216 79 A C 2.367 179.939 177.584 -0.020 0.000 1.181 79 A CA 0.856 52.884 52.037 -0.014 0.000 0.620 79 A CB -0.628 18.365 19.000 -0.013 0.000 0.819 79 A HN 0.227 nan 8.150 nan 0.000 0.442 80 L N -0.666 120.544 121.223 -0.022 0.000 2.056 80 L HA -0.127 4.213 4.340 0.001 0.000 0.207 80 L C 2.490 179.334 176.870 -0.044 0.000 1.078 80 L CA 0.873 55.695 54.840 -0.030 0.000 0.749 80 L CB -0.533 41.509 42.059 -0.029 0.000 0.901 80 L HN 0.222 nan 8.230 nan 0.000 0.433 81 V N 0.092 119.976 119.914 -0.050 0.000 2.358 81 V HA -0.282 3.839 4.120 0.001 0.000 0.246 81 V C 2.794 178.854 176.094 -0.056 0.000 1.047 81 V CA 1.696 63.952 62.300 -0.073 0.000 1.035 81 V CB -0.879 30.892 31.823 -0.087 0.000 0.658 81 V HN 0.470 nan 8.190 nan 0.000 0.452 82 A N -0.257 122.543 122.820 -0.034 0.000 1.884 82 A HA -0.332 3.988 4.320 0.001 0.000 0.219 82 A C 2.257 179.822 177.584 -0.032 0.000 1.197 82 A CA 2.685 54.706 52.037 -0.026 0.000 0.637 82 A CB -0.584 18.404 19.000 -0.020 0.000 0.827 82 A HN 0.497 nan 8.150 nan 0.000 0.450 83 M N -0.792 118.789 119.600 -0.033 0.000 2.080 83 M HA -0.205 4.276 4.480 0.001 0.000 0.260 83 M C 2.559 178.837 176.300 -0.037 0.000 1.068 83 M CA 1.615 56.896 55.300 -0.032 0.000 1.109 83 M CB -0.499 32.083 32.600 -0.029 0.000 1.342 83 M HN 0.523 nan 8.290 nan 0.000 0.405 84 A N 0.520 123.312 122.820 -0.047 0.000 1.877 84 A HA -0.144 4.177 4.320 0.001 0.000 0.216 84 A C 2.059 179.610 177.584 -0.055 0.000 1.186 84 A CA 1.502 53.506 52.037 -0.056 0.000 0.620 84 A CB -0.909 18.044 19.000 -0.077 0.000 0.822 84 A HN 0.456 nan 8.150 nan 0.000 0.443 85 I N -0.463 120.074 120.570 -0.055 0.000 2.208 85 I HA -0.282 3.888 4.170 0.001 0.000 0.245 85 I C 2.452 178.549 176.117 -0.034 0.000 1.097 85 I CA 1.766 63.038 61.300 -0.047 0.000 1.363 85 I CB -0.357 37.619 38.000 -0.040 0.000 1.051 85 I HN 0.423 nan 8.210 nan 0.000 0.413 86 E N 0.264 120.447 120.200 -0.029 0.000 2.150 86 E HA -0.180 4.170 4.350 0.001 0.000 0.193 86 E C 2.226 178.812 176.600 -0.023 0.000 0.985 86 E CA 1.449 57.835 56.400 -0.023 0.000 0.814 86 E CB -0.081 29.606 29.700 -0.021 0.000 0.752 86 E HN 0.504 nan 8.360 nan 0.000 0.466 87 S N 0.633 116.317 115.700 -0.027 0.000 2.447 87 S HA -0.086 4.385 4.470 0.001 0.000 0.233 87 S C 1.704 176.289 174.600 -0.026 0.000 1.006 87 S CA 0.677 58.862 58.200 -0.026 0.000 0.957 87 S CB -0.232 62.951 63.200 -0.028 0.000 0.773 87 S HN 0.204 nan 8.310 nan 0.000 0.507 88 L N 0.898 122.104 121.223 -0.029 0.000 2.629 88 L HA 0.404 4.745 4.340 0.001 0.000 0.230 88 L C 1.719 178.577 176.870 -0.021 0.000 1.151 88 L CA 0.230 55.054 54.840 -0.027 0.000 0.924 88 L CB -0.570 41.468 42.059 -0.035 0.000 1.137 88 L HN 0.565 nan 8.230 nan 0.000 0.457 89 G N 0.180 108.969 108.800 -0.018 0.000 2.157 89 G HA2 -0.232 3.729 3.960 0.001 0.000 0.248 89 G HA3 -0.232 3.729 3.960 0.001 0.000 0.248 89 G C 0.265 175.158 174.900 -0.011 0.000 0.979 89 G CA -0.016 45.076 45.100 -0.013 0.000 0.650 89 G HN 0.502 nan 8.290 nan 0.000 0.529 90 A N 0.000 122.813 122.820 -0.012 0.000 2.306 90 A HA 0.729 5.050 4.320 0.001 0.000 0.314 90 A C 0.226 177.807 177.584 -0.006 0.000 1.164 90 A CA -0.310 51.722 52.037 -0.007 0.000 0.822 90 A CB 0.602 19.597 19.000 -0.009 0.000 1.130 90 A HN 0.433 nan 8.150 nan 0.000 0.496 91 E N 0.722 120.922 120.200 0.001 0.000 2.316 91 E HA 0.456 4.807 4.350 0.001 0.000 0.275 91 E C -0.115 176.491 176.600 0.011 0.000 1.029 91 E CA -0.050 56.351 56.400 0.003 0.000 0.871 91 E CB 1.238 30.943 29.700 0.007 0.000 1.022 91 E HN 0.699 nan 8.360 nan 0.000 0.418 92 A N 3.709 126.532 122.820 0.005 0.000 2.342 92 A HA 0.387 4.708 4.320 0.001 0.000 0.323 92 A C -0.793 176.795 177.584 0.006 0.000 1.125 92 A CA -0.602 51.444 52.037 0.015 0.000 0.785 92 A CB 1.353 20.355 19.000 0.002 0.000 1.221 92 A HN 0.624 nan 8.150 nan 0.000 0.463 93 Q N 1.374 121.196 119.800 0.038 0.000 2.340 93 Q HA 0.596 4.936 4.340 0.001 0.000 0.268 93 Q C -0.979 175.007 176.000 -0.024 0.000 1.031 93 Q CA -0.353 55.428 55.803 -0.036 0.000 0.804 93 Q CB 1.776 30.497 28.738 -0.028 0.000 1.286 93 Q HN 0.694 nan 8.270 nan 0.000 0.448 94 S N 2.681 118.273 115.700 -0.180 0.000 2.578 94 S HA 0.632 5.103 4.470 0.001 0.000 0.283 94 S C -1.249 173.156 174.600 -0.325 0.000 1.195 94 S CA -0.326 57.815 58.200 -0.099 0.000 1.050 94 S CB 0.444 63.602 63.200 -0.070 0.000 1.012 94 S HN 0.444 nan 8.310 nan 0.000 0.511 95 F N 0.838 120.786 119.950 -0.003 0.000 2.547 95 F HA 0.433 4.961 4.527 0.001 0.000 0.316 95 F C 0.453 176.251 175.800 -0.003 0.000 1.121 95 F CA -0.644 57.354 58.000 -0.004 0.000 0.911 95 F CB 2.218 41.214 39.000 -0.006 0.000 1.179 95 F HN 0.379 nan 8.300 nan 0.000 0.443 96 T N 2.256 116.891 114.554 0.135 0.000 2.815 96 T HA 0.788 5.139 4.350 0.001 0.000 0.289 96 T C -0.353 174.397 174.700 0.084 0.000 1.000 96 T CA -0.304 61.847 62.100 0.085 0.000 0.958 96 T CB 0.578 69.468 68.868 0.038 0.000 0.944 96 T HN 0.937 nan 8.240 nan 0.000 0.442 116 V N 1.772 121.689 119.914 0.005 0.000 3.499 116 V HA 0.084 4.204 4.120 0.001 0.000 0.308 116 V C 2.508 178.596 176.094 -0.010 0.000 1.319 116 V CA 1.181 63.481 62.300 -0.001 0.000 1.194 116 V CB -0.640 31.191 31.823 0.013 0.000 1.072 116 V HN 0.833 nan 8.190 nan 0.000 0.426 117 T N 1.085 115.628 114.554 -0.019 0.000 2.665 117 T HA -0.168 4.182 4.350 0.001 0.000 0.268 117 T C -0.121 174.475 174.700 -0.174 0.000 1.035 117 T CA 1.944 64.003 62.100 -0.068 0.000 1.151 117 T CB -1.278 67.554 68.868 -0.060 0.000 0.862 117 T HN 0.456 nan 8.240 nan 0.000 0.438 118 P HA -0.034 nan 4.420 nan 0.000 0.216 118 P C 1.817 179.040 177.300 -0.128 0.000 1.150 118 P CA 1.296 64.307 63.100 -0.148 0.000 0.837 118 P CB -0.542 31.095 31.700 -0.105 0.000 0.786 119 G N -0.100 108.653 108.800 -0.080 0.000 2.404 119 G HA2 -0.221 3.739 3.960 0.001 0.000 0.215 119 G HA3 -0.221 3.739 3.960 0.001 0.000 0.215 119 G C 1.640 176.515 174.900 -0.041 0.000 1.174 119 G CA 0.396 45.468 45.100 -0.048 0.000 0.780 119 G HN 0.191 nan 8.290 nan 0.000 0.537 120 R N -0.426 120.057 120.500 -0.029 0.000 2.105 120 R HA -0.032 4.309 4.340 0.001 0.000 0.239 120 R C 2.496 178.772 176.300 -0.039 0.000 1.135 120 R CA 1.182 57.316 56.100 0.056 0.000 0.967 120 R CB -0.610 29.817 30.300 0.213 0.000 0.861 120 R HN 0.296 nan 8.270 nan 0.000 0.442 121 V N 0.914 120.621 119.914 -0.344 0.000 2.871 121 V HA -0.111 4.010 4.120 0.001 0.000 0.256 121 V C 2.050 178.034 176.094 -0.184 0.000 1.082 121 V CA 1.305 63.307 62.300 -0.497 0.000 1.105 121 V CB -0.291 31.116 31.823 -0.693 0.000 0.713 121 V HN 0.196 nan 8.190 nan 0.000 0.473 122 R N 0.483 120.917 120.500 -0.111 0.000 2.073 122 R HA -0.040 4.301 4.340 0.001 0.000 0.229 122 R C 2.399 178.691 176.300 -0.013 0.000 1.120 122 R CA 1.653 57.721 56.100 -0.053 0.000 0.967 122 R CB -1.004 29.272 30.300 -0.041 0.000 0.862 122 R HN 0.751 nan 8.270 nan 0.000 0.436 123 E N 0.794 120.999 120.200 0.008 0.000 2.031 123 E HA -0.105 4.246 4.350 0.001 0.000 0.193 123 E C 2.054 178.689 176.600 0.058 0.000 0.994 123 E CA 1.565 57.987 56.400 0.036 0.000 0.800 123 E CB -0.836 28.895 29.700 0.053 0.000 0.752 123 E HN 0.425 nan 8.360 nan 0.000 0.447 124 A N 0.110 122.993 122.820 0.106 0.000 1.873 124 A HA -0.025 4.295 4.320 0.001 0.000 0.218 124 A C 2.477 180.108 177.584 0.078 0.000 1.193 124 A CA 1.934 54.055 52.037 0.140 0.000 0.629 124 A CB -0.612 18.576 19.000 0.314 0.000 0.826 124 A HN 0.453 nan 8.150 nan 0.000 0.447 125 L N 0.838 122.086 121.223 0.041 0.000 1.990 125 L HA -0.205 4.135 4.340 0.001 0.000 0.213 125 L C 2.043 178.924 176.870 0.018 0.000 1.072 125 L CA 2.755 57.607 54.840 0.019 0.000 0.755 125 L CB -0.884 41.166 42.059 -0.014 0.000 0.889 125 L HN 0.742 nan 8.230 nan 0.000 0.432 126 D N -2.300 118.108 120.400 0.014 0.000 2.355 126 D HA -0.158 4.483 4.640 0.001 0.000 0.218 126 D C 1.737 178.048 176.300 0.018 0.000 1.004 126 D CA 0.404 54.411 54.000 0.013 0.000 0.880 126 D CB -0.453 40.352 40.800 0.008 0.000 0.911 126 D HN 0.452 nan 8.370 nan 0.000 0.528 127 E N 0.024 120.240 120.200 0.026 0.000 2.482 127 E HA 0.041 4.391 4.350 0.001 0.000 0.196 127 E C 1.080 177.695 176.600 0.024 0.000 1.047 127 E CA 0.543 56.959 56.400 0.027 0.000 0.869 127 E CB -0.267 29.454 29.700 0.036 0.000 0.836 127 E HN 0.468 nan 8.360 nan 0.000 0.520 128 G N 1.344 110.159 108.800 0.025 0.000 2.157 128 G HA2 -0.211 3.749 3.960 0.001 0.000 0.239 128 G HA3 -0.211 3.749 3.960 0.001 0.000 0.239 128 G C 0.047 174.964 174.900 0.028 0.000 0.982 128 G CA 0.013 45.126 45.100 0.022 0.000 0.650 128 G HN 0.058 nan 8.290 nan 0.000 0.527 129 K N 0.271 120.695 120.400 0.041 0.000 2.237 129 K HA 0.495 4.815 4.320 0.001 0.000 0.270 129 K C 0.669 177.302 176.600 0.055 0.000 1.015 129 K CA -0.398 55.921 56.287 0.053 0.000 0.949 129 K CB 1.288 33.840 32.500 0.086 0.000 0.976 129 K HN 0.303 nan 8.250 nan 0.000 0.472 130 I N 2.198 122.799 120.570 0.052 0.000 2.342 130 I HA 0.080 4.250 4.170 0.001 0.000 0.291 130 I C -0.162 176.008 176.117 0.089 0.000 1.010 130 I CA -0.646 60.686 61.300 0.054 0.000 1.308 130 I CB 0.861 38.882 38.000 0.035 0.000 1.400 130 I HN 0.361 nan 8.210 nan 0.000 0.488 131 C N 7.659 127.019 119.300 0.100 0.000 2.255 131 C HA 0.508 4.968 4.460 0.001 0.000 0.326 131 C C 0.344 175.420 174.990 0.143 0.000 1.258 131 C CA -0.699 58.423 59.018 0.173 0.000 1.676 131 C CB -0.625 27.165 27.740 0.084 0.000 2.314 131 C HN 0.508 nan 8.230 nan 0.000 0.509 132 I N 4.182 124.867 120.570 0.191 0.000 2.321 132 I HA 0.551 4.722 4.170 0.001 0.000 0.291 132 I C -0.044 176.187 176.117 0.190 0.000 0.998 132 I CA -0.131 61.253 61.300 0.139 0.000 1.227 132 I CB 1.066 39.121 38.000 0.090 0.000 1.368 132 I HN 0.423 nan 8.210 nan 0.000 0.466 133 V N 5.750 125.740 119.914 0.126 0.000 2.789 133 V HA 0.929 5.049 4.120 0.001 0.000 0.311 133 V C -0.886 175.250 176.094 0.071 0.000 1.073 133 V CA -0.178 62.195 62.300 0.121 0.000 0.921 133 V CB 1.834 33.684 31.823 0.045 0.000 1.009 133 V HN 0.827 nan 8.190 nan 0.000 0.426 134 A N 3.937 126.800 122.820 0.072 0.000 2.386 134 A HA 0.845 5.165 4.320 0.001 0.000 0.311 134 A C 0.857 178.463 177.584 0.037 0.000 1.068 134 A CA 0.024 52.089 52.037 0.047 0.000 0.743 134 A CB 1.497 20.524 19.000 0.046 0.000 1.258 134 A HN 2.629 nan 8.150 nan 0.000 0.429 135 G N -1.220 107.594 108.800 0.023 0.000 2.176 135 G HA2 0.103 4.064 3.960 0.001 0.000 0.253 135 G HA3 0.103 4.064 3.960 0.001 0.000 0.253 135 G C 0.778 175.686 174.900 0.013 0.000 0.979 135 G CA 0.351 45.463 45.100 0.020 0.000 0.641 135 G HN 2.177 nan 8.290 nan 0.000 0.530 147 T N 3.110 117.638 114.554 -0.042 0.000 2.807 147 T HA 0.783 5.133 4.350 0.001 0.000 0.279 147 T C -0.026 174.659 174.700 -0.025 0.000 0.993 147 T CA 0.098 62.181 62.100 -0.029 0.000 0.970 147 T CB 1.441 70.294 68.868 -0.025 0.000 0.950 147 T HN 1.407 nan 8.240 nan 0.000 0.441 148 T N 1.887 116.433 114.554 -0.014 0.000 2.824 148 T HA 0.757 5.108 4.350 0.001 0.000 0.280 148 T C -0.493 174.209 174.700 0.003 0.000 0.995 148 T CA -0.944 61.155 62.100 -0.003 0.000 1.009 148 T CB 0.563 69.436 68.868 0.009 0.000 0.955 148 T HN 0.382 nan 8.240 nan 0.000 0.452 149 L N 2.765 123.991 121.223 0.005 0.000 2.362 149 L HA 0.712 5.053 4.340 0.001 0.000 0.275 149 L C 0.921 177.799 176.870 0.014 0.000 0.998 149 L CA -0.571 54.273 54.840 0.007 0.000 0.820 149 L CB 1.274 43.334 42.059 0.001 0.000 1.270 149 L HN 1.277 nan 8.230 nan 0.000 0.415 150 G N 2.525 111.334 108.800 0.015 0.000 2.725 150 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 150 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 150 G C -0.860 174.054 174.900 0.023 0.000 1.357 150 G CA -0.493 44.618 45.100 0.019 0.000 0.866 150 G HN 0.798 nan 8.290 nan 0.000 0.548 151 R N 0.228 120.743 120.500 0.025 0.000 2.474 151 R HA 0.593 4.933 4.340 0.001 0.000 0.295 151 R C 0.850 177.170 176.300 0.033 0.000 0.980 151 R CA 0.013 56.129 56.100 0.027 0.000 0.934 151 R CB 0.872 31.186 30.300 0.024 0.000 1.101 151 R HN 1.364 nan 8.270 nan 0.000 0.469 152 G N 1.718 110.540 108.800 0.037 0.000 2.361 152 G HA2 0.325 4.286 3.960 0.001 0.000 0.260 152 G HA3 0.325 4.286 3.960 0.001 0.000 0.260 152 G C 0.142 175.059 174.900 0.028 0.000 1.261 152 G CA -0.267 44.857 45.100 0.040 0.000 0.897 152 G HN 0.763 nan 8.290 nan 0.000 0.499 153 G N 0.969 109.785 108.800 0.028 0.000 2.508 153 G HA2 0.368 4.329 3.960 0.001 0.000 0.278 153 G HA3 0.368 4.329 3.960 0.001 0.000 0.278 153 G C 1.434 176.342 174.900 0.014 0.000 1.389 153 G CA 0.470 45.584 45.100 0.023 0.000 1.050 153 G HN 0.824 nan 8.290 nan 0.000 0.522 154 S N -0.442 115.269 115.700 0.018 0.000 2.368 154 S HA -0.133 4.337 4.470 0.001 0.000 0.224 154 S C 1.628 176.226 174.600 -0.005 0.000 1.029 154 S CA 1.793 60.001 58.200 0.013 0.000 0.988 154 S CB -0.461 62.757 63.200 0.030 0.000 0.838 154 S HN 0.574 nan 8.310 nan 0.000 0.462 155 D N 1.694 122.095 120.400 0.001 0.000 2.133 155 D HA -0.076 4.565 4.640 0.001 0.000 0.195 155 D C 1.981 178.256 176.300 -0.042 0.000 0.997 155 D CA 1.832 55.825 54.000 -0.012 0.000 0.840 155 D CB -0.585 40.218 40.800 0.006 0.000 0.947 155 D HN 0.388 nan 8.370 nan 0.000 0.452 156 T N -0.847 113.688 114.554 -0.032 0.000 2.777 156 T HA -0.173 4.178 4.350 0.001 0.000 0.266 156 T C 2.119 176.721 174.700 -0.162 0.000 1.040 156 T CA 1.690 63.751 62.100 -0.065 0.000 1.141 156 T CB -0.550 68.330 68.868 0.021 0.000 0.868 156 T HN 0.273 nan 8.240 nan 0.000 0.444 157 T N 1.359 115.853 114.554 -0.100 0.000 2.788 157 T HA -0.016 4.335 4.350 0.001 0.000 0.268 157 T C 2.167 176.777 174.700 -0.149 0.000 1.044 157 T CA 1.519 63.550 62.100 -0.115 0.000 1.139 157 T CB -0.458 68.379 68.868 -0.052 0.000 0.867 157 T HN 0.319 nan 8.240 nan 0.000 0.454 158 A N 0.745 123.494 122.820 -0.117 0.000 1.877 158 A HA 0.032 4.352 4.320 0.001 0.000 0.216 158 A C 2.636 180.113 177.584 -0.178 0.000 1.186 158 A CA 1.995 53.964 52.037 -0.113 0.000 0.620 158 A CB -1.065 17.892 19.000 -0.071 0.000 0.822 158 A HN 0.472 nan 8.150 nan 0.000 0.443 159 V N -0.149 119.626 119.914 -0.232 0.000 2.427 159 V HA -0.192 3.929 4.120 0.001 0.000 0.248 159 V C 3.008 178.755 176.094 -0.579 0.000 1.051 159 V CA 1.751 63.863 62.300 -0.313 0.000 1.048 159 V CB -1.354 30.315 31.823 -0.257 0.000 0.666 159 V HN 0.621 nan 8.190 nan 0.000 0.456 160 A N 0.224 122.570 122.820 -0.789 0.000 1.845 160 A HA -0.178 4.142 4.320 0.001 0.000 0.215 160 A C 2.234 179.556 177.584 -0.437 0.000 1.195 160 A CA 1.940 53.455 52.037 -0.869 0.000 0.616 160 A CB -0.674 17.980 19.000 -0.576 0.000 0.832 160 A HN 0.471 nan 8.150 nan 0.000 0.443 161 L N -0.735 120.313 121.223 -0.292 0.000 2.043 161 L HA -0.278 4.062 4.340 0.001 0.000 0.212 161 L C 3.102 179.862 176.870 -0.185 0.000 1.075 161 L CA 1.260 55.978 54.840 -0.203 0.000 0.752 161 L CB -0.580 41.384 42.059 -0.158 0.000 0.891 161 L HN 0.481 nan 8.230 nan 0.000 0.432 162 A N -0.215 122.493 122.820 -0.186 0.000 1.902 162 A HA -0.159 4.161 4.320 0.001 0.000 0.217 162 A C 2.536 180.045 177.584 -0.127 0.000 1.181 162 A CA 1.711 53.671 52.037 -0.128 0.000 0.623 162 A CB -0.688 18.254 19.000 -0.097 0.000 0.818 162 A HN 0.416 nan 8.150 nan 0.000 0.443 163 A N 0.008 122.701 122.820 -0.212 0.000 1.858 163 A HA 0.125 4.445 4.320 0.001 0.000 0.216 163 A C 2.549 180.014 177.584 -0.198 0.000 1.190 163 A CA 2.308 54.206 52.037 -0.231 0.000 0.617 163 A CB -1.194 17.469 19.000 -0.562 0.000 0.827 163 A HN 1.130 nan 8.150 nan 0.000 0.443 164 A N -1.112 121.573 122.820 -0.226 0.000 1.908 164 A HA -0.042 4.278 4.320 0.001 0.000 0.218 164 A C 1.773 179.300 177.584 -0.094 0.000 1.181 164 A CA 1.773 53.720 52.037 -0.151 0.000 0.627 164 A CB -0.365 18.546 19.000 -0.150 0.000 0.818 164 A HN 0.396 nan 8.150 nan 0.000 0.445 165 L N -0.372 120.795 121.223 -0.094 0.000 2.592 165 L HA 0.130 4.470 4.340 0.001 0.000 0.227 165 L C -0.032 176.814 176.870 -0.039 0.000 1.127 165 L CA 0.351 55.150 54.840 -0.068 0.000 0.884 165 L CB -1.248 40.763 42.059 -0.080 0.000 1.065 165 L HN 0.496 nan 8.230 nan 0.000 0.457 166 N N -0.081 118.602 118.700 -0.027 0.000 2.738 166 N HA -0.183 4.557 4.740 0.001 0.000 0.249 166 N C 0.534 176.044 175.510 -0.001 0.000 1.047 166 N CA 0.853 53.904 53.050 0.001 0.000 0.707 166 N CB -1.289 37.203 38.487 0.009 0.000 0.937 166 N HN 0.329 nan 8.380 nan 0.000 0.545 167 A N -0.081 122.732 122.820 -0.011 0.000 2.429 167 A HA 0.136 4.457 4.320 0.001 0.000 0.242 167 A C 1.200 178.790 177.584 0.010 0.000 1.088 167 A CA 0.366 52.398 52.037 -0.008 0.000 0.784 167 A CB 0.431 19.419 19.000 -0.021 0.000 1.038 167 A HN 0.285 nan 8.150 nan 0.000 0.501 168 D N -1.176 119.229 120.400 0.009 0.000 2.277 168 D HA 0.193 4.833 4.640 0.001 0.000 0.209 168 D C 0.161 176.469 176.300 0.014 0.000 0.970 168 D CA 1.303 55.312 54.000 0.015 0.000 0.874 168 D CB 0.442 41.248 40.800 0.010 0.000 0.982 168 D HN 0.302 nan 8.370 nan 0.000 0.504 169 V N -0.370 119.548 119.914 0.007 0.000 3.206 169 V HA 0.378 4.498 4.120 0.001 0.000 0.305 169 V C -0.945 175.145 176.094 -0.007 0.000 1.257 169 V CA -1.164 61.137 62.300 0.001 0.000 1.057 169 V CB 2.731 34.546 31.823 -0.012 0.000 1.075 169 V HN 0.103 nan 8.190 nan 0.000 0.443 170 C N 1.590 120.879 119.300 -0.018 0.000 2.571 170 C HA 0.573 5.033 4.460 0.001 0.000 0.343 170 C C -0.461 174.488 174.990 -0.068 0.000 1.082 170 C CA -0.225 58.773 59.018 -0.033 0.000 1.339 170 C CB -0.203 27.518 27.740 -0.032 0.000 1.893 170 C HN 0.984 nan 8.230 nan 0.000 0.445 171 E N 5.553 125.698 120.200 -0.091 0.000 2.200 171 E HA 0.434 4.785 4.350 0.001 0.000 0.283 171 E C -0.343 176.092 176.600 -0.275 0.000 1.015 171 E CA -0.438 55.825 56.400 -0.229 0.000 0.819 171 E CB 1.192 30.738 29.700 -0.257 0.000 1.081 171 E HN 0.559 nan 8.360 nan 0.000 0.397 172 I N 3.741 124.123 120.570 -0.313 0.000 2.321 172 I HA 0.234 4.404 4.170 0.001 0.000 0.291 172 I C -0.530 175.399 176.117 -0.313 0.000 0.998 172 I CA -0.616 60.557 61.300 -0.212 0.000 1.227 172 I CB -0.097 37.838 38.000 -0.109 0.000 1.368 172 I HN 0.481 nan 8.210 nan 0.000 0.466 173 Y N 4.396 124.585 120.300 -0.186 0.000 2.377 173 Y HA 0.563 5.114 4.550 0.001 0.000 0.339 173 Y C 0.751 176.663 175.900 0.021 0.000 1.011 173 Y CA -0.053 57.979 58.100 -0.114 0.000 1.093 173 Y CB 2.041 40.337 38.460 -0.274 0.000 1.201 173 Y HN 0.709 nan 8.280 nan 0.000 0.455 174 S N -0.357 115.493 115.700 0.250 0.000 2.755 174 S HA 0.172 4.642 4.470 0.001 0.000 0.286 174 S C -0.329 174.453 174.600 0.302 0.000 1.207 174 S CA -0.437 57.910 58.200 0.245 0.000 0.892 174 S CB 0.633 63.921 63.200 0.146 0.000 1.240 174 S HN 0.563 nan 8.310 nan 0.000 0.525 175 D N 0.776 121.317 120.400 0.235 0.000 2.371 175 D HA 0.023 4.663 4.640 0.001 0.000 0.221 175 D C 1.134 177.485 176.300 0.085 0.000 0.986 175 D CA 0.828 54.903 54.000 0.126 0.000 0.899 175 D CB -0.813 39.928 40.800 -0.099 0.000 0.902 175 D HN 0.844 nan 8.370 nan 0.000 0.530 176 V N 0.208 120.185 119.914 0.105 0.000 2.406 176 V HA 0.290 4.410 4.120 0.001 0.000 0.272 176 V C 0.714 176.887 176.094 0.132 0.000 1.043 176 V CA -0.575 61.787 62.300 0.104 0.000 0.915 176 V CB 1.378 33.258 31.823 0.096 0.000 0.988 176 V HN -0.036 nan 8.190 nan 0.000 0.466 177 D N 3.511 124.011 120.400 0.165 0.000 2.363 177 D HA 0.329 4.970 4.640 0.001 0.000 0.220 177 D C 0.672 177.023 176.300 0.085 0.000 0.994 177 D CA 1.150 55.236 54.000 0.143 0.000 0.890 177 D CB 0.536 41.429 40.800 0.156 0.000 0.906 177 D HN 1.125 nan 8.370 nan 0.000 0.530 178 G N -1.243 107.624 108.800 0.112 0.000 2.341 178 G HA2 0.357 4.318 3.960 0.001 0.000 0.299 178 G HA3 0.357 4.318 3.960 0.001 0.000 0.299 178 G C -1.868 173.044 174.900 0.019 0.000 1.274 178 G CA -0.230 44.852 45.100 -0.030 0.000 0.853 178 G HN 0.265 nan 8.290 nan 0.000 0.493 179 V N -0.215 119.645 119.914 -0.090 0.000 2.532 179 V HA 0.834 4.955 4.120 0.001 0.000 0.295 179 V C -1.194 174.819 176.094 -0.135 0.000 1.041 179 V CA -0.728 61.570 62.300 -0.003 0.000 0.926 179 V CB 1.003 32.820 31.823 -0.010 0.000 0.992 179 V HN 0.643 nan 8.190 nan 0.000 0.457 180 Y N 2.744 123.053 120.300 0.015 0.000 2.509 180 Y HA 0.367 4.918 4.550 0.002 0.000 0.341 180 Y C 1.686 177.614 175.900 0.048 0.000 1.038 180 Y CA 0.141 58.258 58.100 0.029 0.000 1.089 180 Y CB 2.375 40.849 38.460 0.024 0.000 1.241 180 Y HN 0.792 nan 8.280 nan 0.000 0.468 181 T N -0.966 113.722 114.554 0.224 0.000 2.929 181 T HA 0.296 4.647 4.350 0.001 0.000 0.271 181 T C 0.471 175.325 174.700 0.257 0.000 1.085 181 T CA 0.977 63.199 62.100 0.202 0.000 1.125 181 T CB -0.131 68.865 68.868 0.214 0.000 0.874 181 T HN 0.703 nan 8.240 nan 0.000 0.494 182 A N 0.313 123.282 122.820 0.247 0.000 2.586 182 A HA 0.488 4.808 4.320 0.001 0.000 0.291 182 A C -1.438 176.175 177.584 0.048 0.000 1.062 182 A CA -0.719 51.398 52.037 0.134 0.000 0.666 182 A CB 0.559 19.615 19.000 0.093 0.000 1.281 182 A HN 0.134 nan 8.150 nan 0.000 0.421 183 D N 1.362 121.758 120.400 -0.007 0.000 2.426 183 D HA 0.148 4.789 4.640 0.001 0.000 0.261 183 D C -1.404 174.815 176.300 -0.135 0.000 1.245 183 D CA -0.924 53.030 54.000 -0.077 0.000 0.917 183 D CB 0.960 41.727 40.800 -0.056 0.000 1.123 183 D HN 0.110 nan 8.370 nan 0.000 0.508 184 P HA -0.061 nan 4.420 nan 0.000 0.223 184 P C 1.265 178.471 177.300 -0.156 0.000 1.151 184 P CA 0.726 63.698 63.100 -0.213 0.000 0.787 184 P CB 0.261 31.759 31.700 -0.336 0.000 0.788 185 R N -0.463 119.953 120.500 -0.141 0.000 2.083 185 R HA -0.096 4.245 4.340 0.001 0.000 0.237 185 R C 1.904 178.153 176.300 -0.085 0.000 1.137 185 R CA 1.289 57.329 56.100 -0.100 0.000 0.951 185 R CB -0.818 29.431 30.300 -0.084 0.000 0.851 185 R HN 0.196 nan 8.270 nan 0.000 0.434 186 I N 0.121 120.639 120.570 -0.086 0.000 2.584 186 I HA -0.012 4.158 4.170 0.001 0.000 0.255 186 I C 0.694 176.754 176.117 -0.095 0.000 1.145 186 I CA 0.803 62.058 61.300 -0.074 0.000 1.462 186 I CB -0.107 37.857 38.000 -0.059 0.000 1.102 186 I HN -0.162 nan 8.210 nan 0.000 0.433 187 V N 3.981 123.814 119.914 -0.135 0.000 2.380 187 V HA 0.248 4.369 4.120 0.001 0.000 0.286 187 V C -1.489 174.485 176.094 -0.199 0.000 1.015 187 V CA -0.908 61.270 62.300 -0.205 0.000 0.834 187 V CB 1.930 33.544 31.823 -0.348 0.000 1.009 187 V HN 0.012 nan 8.190 nan 0.000 0.428 188 P HA -0.058 nan 4.420 nan 0.000 0.220 188 P C 0.926 178.189 177.300 -0.062 0.000 1.152 188 P CA 1.026 64.073 63.100 -0.088 0.000 0.812 188 P CB 0.367 32.033 31.700 -0.057 0.000 0.792 189 N N -0.096 118.563 118.700 -0.069 0.000 2.573 189 N HA 0.054 4.795 4.740 0.001 0.000 0.187 189 N C 0.698 176.257 175.510 0.082 0.000 1.107 189 N CA -0.345 52.720 53.050 0.024 0.000 0.918 189 N CB -0.213 38.334 38.487 0.100 0.000 0.966 189 N HN 0.140 nan 8.380 nan 0.000 0.448 190 A N 1.147 123.922 122.820 -0.074 0.000 2.583 190 A HA -0.006 4.315 4.320 0.001 0.000 0.231 190 A C 0.309 178.032 177.584 0.232 0.000 1.065 190 A CA 0.640 52.717 52.037 0.066 0.000 0.760 190 A CB 0.287 19.267 19.000 -0.033 0.000 1.001 190 A HN 0.359 nan 8.150 nan 0.000 0.509 191 Q N 0.399 120.401 119.800 0.336 0.000 2.340 191 Q HA 0.431 4.771 4.340 0.001 0.000 0.276 191 Q C -0.794 175.238 176.000 0.054 0.000 1.048 191 Q CA -0.725 55.220 55.803 0.237 0.000 0.832 191 Q CB 1.410 30.227 28.738 0.133 0.000 1.373 191 Q HN 0.741 nan 8.270 nan 0.000 0.409 192 K N 3.094 123.334 120.400 -0.267 0.000 2.368 192 K HA 0.125 4.445 4.320 0.001 0.000 0.282 192 K C -0.651 175.750 176.600 -0.332 0.000 1.035 192 K CA -0.418 55.419 56.287 -0.751 0.000 0.973 192 K CB 0.432 32.557 32.500 -0.626 0.000 0.957 192 K HN 0.526 nan 8.250 nan 0.000 0.474 193 L N 4.367 125.407 121.223 -0.305 0.000 2.416 193 L HA 0.037 4.378 4.340 0.001 0.000 0.272 193 L C 1.470 178.249 176.870 -0.151 0.000 1.161 193 L CA 0.735 55.476 54.840 -0.165 0.000 0.845 193 L CB 0.919 42.903 42.059 -0.125 0.000 1.119 193 L HN 0.822 nan 8.230 nan 0.000 0.464 194 E N 2.009 122.145 120.200 -0.106 0.000 2.021 194 E HA -0.028 4.323 4.350 0.001 0.000 0.189 194 E C 0.277 176.822 176.600 -0.092 0.000 0.980 194 E CA 0.934 57.279 56.400 -0.090 0.000 0.803 194 E CB 0.422 30.082 29.700 -0.067 0.000 0.766 194 E HN 0.408 nan 8.360 nan 0.000 0.449 195 K N 0.228 120.576 120.400 -0.087 0.000 2.443 195 K HA 0.563 4.883 4.320 0.001 0.000 0.251 195 K C -1.673 174.869 176.600 -0.097 0.000 0.972 195 K CA -0.588 55.642 56.287 -0.096 0.000 0.833 195 K CB 1.775 34.222 32.500 -0.087 0.000 1.317 195 K HN 0.040 nan 8.250 nan 0.000 0.441 196 L N 0.884 122.037 121.223 -0.118 0.000 2.582 196 L HA 0.412 4.752 4.340 0.001 0.000 0.257 196 L C -0.975 175.800 176.870 -0.158 0.000 0.974 196 L CA -0.447 54.327 54.840 -0.109 0.000 0.851 196 L CB 2.183 44.191 42.059 -0.086 0.000 1.424 196 L HN 0.864 nan 8.230 nan 0.000 0.412 197 S N 1.408 117.030 115.700 -0.129 0.000 2.652 197 S HA 0.414 4.885 4.470 0.001 0.000 0.270 197 S C 0.915 175.445 174.600 -0.116 0.000 1.243 197 S CA -0.459 57.642 58.200 -0.165 0.000 0.999 197 S CB 0.851 64.007 63.200 -0.073 0.000 0.973 197 S HN 0.530 nan 8.310 nan 0.000 0.544 198 F N 1.818 121.762 119.950 -0.010 0.000 2.065 198 F HA -0.102 4.426 4.527 0.001 0.000 0.298 198 F C 2.727 178.523 175.800 -0.006 0.000 1.112 198 F CA 2.014 60.013 58.000 -0.003 0.000 1.212 198 F CB -0.615 38.387 39.000 0.003 0.000 0.975 198 F HN 0.721 nan 8.300 nan 0.000 0.476 199 E N 0.412 120.722 120.200 0.184 0.000 2.158 199 E HA -0.155 4.195 4.350 0.001 0.000 0.191 199 E C 1.784 178.415 176.600 0.052 0.000 0.982 199 E CA 1.072 57.530 56.400 0.097 0.000 0.823 199 E CB -0.852 28.884 29.700 0.060 0.000 0.766 199 E HN 0.519 nan 8.360 nan 0.000 0.468 200 E N 0.446 120.665 120.200 0.032 0.000 2.110 200 E HA -0.169 4.181 4.350 0.001 0.000 0.193 200 E C 1.952 178.563 176.600 0.019 0.000 0.988 200 E CA 1.342 57.747 56.400 0.009 0.000 0.804 200 E CB -0.177 29.514 29.700 -0.014 0.000 0.745 200 E HN 0.098 nan 8.360 nan 0.000 0.458 201 M N 0.585 120.206 119.600 0.035 0.000 2.077 201 M HA -0.127 4.353 4.480 0.001 0.000 0.261 201 M C 1.847 178.178 176.300 0.053 0.000 1.070 201 M CA 1.267 56.593 55.300 0.044 0.000 1.125 201 M CB -0.243 32.395 32.600 0.063 0.000 1.339 201 M HN 0.052 nan 8.290 nan 0.000 0.409 202 L N 0.103 121.366 121.223 0.068 0.000 2.051 202 L HA -0.233 4.107 4.340 0.001 0.000 0.214 202 L C 2.437 179.327 176.870 0.034 0.000 1.076 202 L CA 1.981 56.853 54.840 0.052 0.000 0.758 202 L CB -1.814 40.275 42.059 0.049 0.000 0.890 202 L HN 0.379 nan 8.230 nan 0.000 0.433 203 E N -0.502 119.714 120.200 0.027 0.000 2.072 203 E HA -0.137 4.214 4.350 0.001 0.000 0.190 203 E C 2.384 178.996 176.600 0.020 0.000 0.982 203 E CA 0.794 57.204 56.400 0.016 0.000 0.803 203 E CB -0.162 29.542 29.700 0.006 0.000 0.755 203 E HN 0.364 nan 8.360 nan 0.000 0.453 204 L N -0.264 120.974 121.223 0.024 0.000 2.017 204 L HA -0.167 4.174 4.340 0.001 0.000 0.208 204 L C 2.408 179.299 176.870 0.034 0.000 1.073 204 L CA 1.211 56.069 54.840 0.031 0.000 0.745 204 L CB -0.549 41.529 42.059 0.032 0.000 0.894 204 L HN 0.199 nan 8.230 nan 0.000 0.432 205 A N -0.100 122.741 122.820 0.035 0.000 1.972 205 A HA -0.142 4.178 4.320 0.001 0.000 0.219 205 A C 2.418 180.022 177.584 0.032 0.000 1.169 205 A CA 1.551 53.610 52.037 0.036 0.000 0.635 205 A CB -0.600 18.424 19.000 0.039 0.000 0.810 205 A HN 0.416 nan 8.150 nan 0.000 0.446 206 A N -1.449 121.388 122.820 0.028 0.000 2.172 206 A HA 0.226 4.546 4.320 0.001 0.000 0.216 206 A C 1.569 179.168 177.584 0.025 0.000 1.154 206 A CA 1.625 53.676 52.037 0.023 0.000 0.701 206 A CB -0.167 18.843 19.000 0.016 0.000 0.789 206 A HN 0.581 nan 8.150 nan 0.000 0.465 207 V N -2.674 117.257 119.914 0.029 0.000 3.337 207 V HA 0.437 4.558 4.120 0.001 0.000 0.307 207 V C 1.124 177.241 176.094 0.037 0.000 1.505 207 V CA 0.744 63.063 62.300 0.032 0.000 1.072 207 V CB 0.544 32.385 31.823 0.030 0.000 0.929 207 V HN 0.678 nan 8.190 nan 0.000 0.455 208 G N -0.942 107.880 108.800 0.037 0.000 4.386 208 G HA2 -0.032 3.928 3.960 0.001 0.000 0.183 208 G HA3 -0.032 3.928 3.960 0.001 0.000 0.183 208 G C 0.275 175.197 174.900 0.036 0.000 1.226 208 G CA 0.437 45.559 45.100 0.037 0.000 0.926 208 G HN 0.188 nan 8.290 nan 0.000 0.306 209 S N 1.612 117.335 115.700 0.040 0.000 2.561 209 S HA 0.427 4.898 4.470 0.001 0.000 0.294 209 S C 1.092 175.715 174.600 0.038 0.000 1.294 209 S CA 1.147 59.372 58.200 0.041 0.000 1.055 209 S CB 1.239 64.466 63.200 0.045 0.000 0.819 209 S HN 1.033 nan 8.310 nan 0.000 0.503 210 K N 2.186 122.608 120.400 0.037 0.000 2.455 210 K HA 0.315 4.635 4.320 0.001 0.000 0.206 210 K C 0.992 177.615 176.600 0.038 0.000 1.027 210 K CA -0.025 56.283 56.287 0.036 0.000 1.113 210 K CB -0.540 31.979 32.500 0.033 0.000 0.850 210 K HN 0.599 nan 8.250 nan 0.000 0.503 211 I N 0.421 121.015 120.570 0.040 0.000 2.076 211 I HA -0.127 4.044 4.170 0.001 0.000 0.237 211 I C 0.744 176.881 176.117 0.033 0.000 1.059 211 I CA 1.084 62.408 61.300 0.039 0.000 1.317 211 I CB -0.122 37.901 38.000 0.039 0.000 1.037 211 I HN 0.213 nan 8.210 nan 0.000 0.398 212 L N -0.025 121.217 121.223 0.032 0.000 2.332 212 L HA 0.416 4.756 4.340 0.001 0.000 0.269 212 L C -0.168 176.724 176.870 0.036 0.000 1.016 212 L CA -1.074 53.784 54.840 0.031 0.000 0.809 212 L CB 0.916 42.995 42.059 0.034 0.000 1.280 212 L HN -0.036 nan 8.230 nan 0.000 0.447 213 V N -0.057 119.879 119.914 0.036 0.000 2.461 213 V HA 0.260 4.380 4.120 0.001 0.000 0.275 213 V C 1.326 177.447 176.094 0.045 0.000 1.047 213 V CA -0.366 61.957 62.300 0.039 0.000 0.955 213 V CB 0.555 32.401 31.823 0.037 0.000 0.988 213 V HN 0.694 nan 8.190 nan 0.000 0.471 214 L N 2.855 124.104 121.223 0.043 0.000 2.021 214 L HA -0.136 4.205 4.340 0.001 0.000 0.215 214 L C 2.919 179.820 176.870 0.051 0.000 1.074 214 L CA 1.868 56.734 54.840 0.044 0.000 0.760 214 L CB -0.568 41.511 42.059 0.033 0.000 0.889 214 L HN 0.833 nan 8.230 nan 0.000 0.433 215 R N 0.129 120.660 120.500 0.052 0.000 2.119 215 R HA -0.216 4.124 4.340 0.001 0.000 0.246 215 R C 2.507 178.873 176.300 0.110 0.000 1.146 215 R CA 2.235 58.377 56.100 0.070 0.000 0.962 215 R CB -0.513 29.829 30.300 0.069 0.000 0.863 215 R HN 0.589 nan 8.270 nan 0.000 0.442 216 S N -0.752 115.005 115.700 0.094 0.000 2.387 216 S HA -0.052 4.419 4.470 0.001 0.000 0.226 216 S C 2.180 176.845 174.600 0.109 0.000 1.026 216 S CA 1.122 59.380 58.200 0.097 0.000 0.972 216 S CB -0.485 62.740 63.200 0.041 0.000 0.814 216 S HN 0.106 nan 8.310 nan 0.000 0.477 217 V N 2.326 122.296 119.914 0.094 0.000 2.407 217 V HA -0.115 4.005 4.120 0.001 0.000 0.248 217 V C 2.881 179.015 176.094 0.066 0.000 1.055 217 V CA 2.194 64.561 62.300 0.111 0.000 1.049 217 V CB -1.011 30.880 31.823 0.115 0.000 0.662 217 V HN 0.563 nan 8.190 nan 0.000 0.455 218 E N -0.339 119.894 120.200 0.055 0.000 2.152 218 E HA -0.203 4.147 4.350 0.001 0.000 0.192 218 E C 2.008 178.614 176.600 0.011 0.000 0.983 218 E CA 1.132 57.531 56.400 -0.001 0.000 0.818 218 E CB -0.440 29.258 29.700 -0.003 0.000 0.758 218 E HN 0.604 nan 8.360 nan 0.000 0.467 219 Y N 0.525 120.816 120.300 -0.016 0.000 2.145 219 Y HA -0.119 4.431 4.550 0.001 0.000 0.286 219 Y C 2.222 178.142 175.900 0.034 0.000 1.145 219 Y CA 1.657 59.789 58.100 0.054 0.000 1.148 219 Y CB -0.895 37.589 38.460 0.039 0.000 0.981 219 Y HN 0.152 nan 8.280 nan 0.000 0.507 220 A N 0.211 123.125 122.820 0.157 0.000 1.902 220 A HA -0.207 4.113 4.320 0.001 0.000 0.217 220 A C 2.444 179.670 177.584 -0.597 0.000 1.181 220 A CA 1.709 53.729 52.037 -0.027 0.000 0.623 220 A CB -0.707 18.362 19.000 0.115 0.000 0.818 220 A HN 0.387 nan 8.150 nan 0.000 0.443 221 R N -0.115 119.853 120.500 -0.887 0.000 2.081 221 R HA -0.123 4.218 4.340 0.001 0.000 0.235 221 R C 2.249 178.183 176.300 -0.610 0.000 1.131 221 R CA 1.634 56.977 56.100 -1.261 0.000 0.960 221 R CB -0.597 29.361 30.300 -0.571 0.000 0.856 221 R HN 0.456 nan 8.270 nan 0.000 0.436 222 A N -0.594 122.015 122.820 -0.351 0.000 1.969 222 A HA -0.085 4.236 4.320 0.001 0.000 0.218 222 A C 1.517 178.799 177.584 -0.503 0.000 1.169 222 A CA 1.020 52.822 52.037 -0.392 0.000 0.635 222 A CB -0.265 18.479 19.000 -0.427 0.000 0.810 222 A HN 0.348 nan 8.150 nan 0.000 0.445 223 F N -1.835 118.038 119.950 -0.128 0.000 2.682 223 F HA 0.266 4.794 4.527 0.001 0.000 0.308 223 F C 0.646 176.436 175.800 -0.018 0.000 1.093 223 F CA -0.050 57.930 58.000 -0.034 0.000 1.244 223 F CB -0.149 38.889 39.000 0.062 0.000 1.052 223 F HN 0.255 nan 8.300 nan 0.000 0.573 224 N N 0.752 119.483 118.700 0.051 0.000 2.726 224 N HA -0.159 4.581 4.740 0.001 0.000 0.253 224 N C -1.401 174.281 175.510 0.286 0.000 1.059 224 N CA 0.080 53.246 53.050 0.192 0.000 0.701 224 N CB -0.809 37.777 38.487 0.165 0.000 0.899 224 N HN -0.066 nan 8.380 nan 0.000 0.548 225 V N 1.590 121.692 119.914 0.314 0.000 2.318 225 V HA 0.390 4.510 4.120 0.001 0.000 0.271 225 V C -1.881 174.436 176.094 0.372 0.000 1.030 225 V CA -1.389 61.072 62.300 0.267 0.000 0.844 225 V CB 1.408 33.322 31.823 0.153 0.000 1.015 225 V HN 0.133 nan 8.190 nan 0.000 0.460 226 P HA 0.233 nan 4.420 nan 0.000 0.267 226 P C -0.619 176.716 177.300 0.058 0.000 1.205 226 P CA 0.147 63.296 63.100 0.083 0.000 0.765 226 P CB 0.531 32.236 31.700 0.007 0.000 0.828 227 L N 3.528 124.768 121.223 0.028 0.000 2.334 227 L HA 0.609 4.949 4.340 0.001 0.000 0.272 227 L C 0.737 177.566 176.870 -0.069 0.000 1.020 227 L CA -0.770 54.067 54.840 -0.005 0.000 0.812 227 L CB 1.597 43.675 42.059 0.033 0.000 1.264 227 L HN 0.249 nan 8.230 nan 0.000 0.439 228 R N 0.970 121.407 120.500 -0.105 0.000 2.451 228 R HA 0.506 4.847 4.340 0.001 0.000 0.307 228 R C -1.469 174.713 176.300 -0.196 0.000 0.965 228 R CA -0.571 55.442 56.100 -0.144 0.000 0.865 228 R CB 1.922 32.129 30.300 -0.154 0.000 1.174 228 R HN 0.404 nan 8.270 nan 0.000 0.455 229 V N 5.595 125.417 119.914 -0.154 0.000 2.408 229 V HA 0.390 4.511 4.120 0.001 0.000 0.267 229 V C 0.407 176.399 176.094 -0.170 0.000 1.047 229 V CA 0.011 62.221 62.300 -0.150 0.000 0.937 229 V CB 0.845 32.623 31.823 -0.076 0.000 0.999 229 V HN 0.712 nan 8.190 nan 0.000 0.472 230 R N 2.544 122.890 120.500 -0.255 0.000 2.888 230 R HA 0.604 4.944 4.340 0.001 0.000 0.264 230 R C -0.738 175.541 176.300 -0.036 0.000 1.045 230 R CA -0.737 55.232 56.100 -0.219 0.000 0.962 230 R CB 2.125 32.128 30.300 -0.495 0.000 1.210 230 R HN 0.565 nan 8.270 nan 0.000 0.479 231 S N 0.052 115.827 115.700 0.125 0.000 2.457 231 S HA 0.080 4.550 4.470 0.001 0.000 0.289 231 S C 0.790 175.635 174.600 0.408 0.000 1.163 231 S CA -0.561 57.805 58.200 0.277 0.000 1.078 231 S CB 0.941 64.288 63.200 0.245 0.000 0.987 231 S HN 0.648 nan 8.310 nan 0.000 0.482 232 S N 4.270 120.234 115.700 0.440 0.000 2.701 232 S HA 0.124 4.595 4.470 0.001 0.000 0.220 232 S C 0.400 174.882 174.600 -0.196 0.000 0.954 232 S CA 0.144 58.442 58.200 0.163 0.000 0.936 232 S CB -0.442 62.812 63.200 0.089 0.000 0.777 232 S HN 0.832 nan 8.310 nan 0.000 0.518 233 Y N 1.547 121.925 120.300 0.130 0.000 2.432 233 Y HA 0.346 4.897 4.550 0.001 0.000 0.252 233 Y C 1.178 177.123 175.900 0.074 0.000 1.097 233 Y CA -0.102 58.047 58.100 0.083 0.000 1.250 233 Y CB 0.684 39.186 38.460 0.071 0.000 1.245 233 Y HN 0.509 nan 8.280 nan 0.000 0.522 234 S N -1.337 114.488 115.700 0.208 0.000 2.720 234 S HA 0.373 4.844 4.470 0.001 0.000 0.287 234 S C -0.324 174.351 174.600 0.124 0.000 1.168 234 S CA -0.888 57.397 58.200 0.142 0.000 0.832 234 S CB 1.360 64.639 63.200 0.133 0.000 1.166 234 S HN 0.035 nan 8.310 nan 0.000 0.493 235 N N 0.955 119.711 118.700 0.094 0.000 2.214 235 N HA 0.191 4.932 4.740 0.001 0.000 0.214 235 N C -0.694 174.860 175.510 0.072 0.000 1.132 235 N CA -0.121 52.980 53.050 0.085 0.000 0.856 235 N CB -0.081 38.443 38.487 0.062 0.000 1.020 235 N HN 0.698 nan 8.380 nan 0.000 0.509 236 D N 2.452 122.896 120.400 0.073 0.000 2.487 236 D HA -0.027 4.614 4.640 0.001 0.000 0.243 236 D C -1.257 175.064 176.300 0.035 0.000 1.154 236 D CA -0.849 53.182 54.000 0.051 0.000 0.876 236 D CB 1.607 42.442 40.800 0.059 0.000 1.161 236 D HN 0.108 nan 8.370 nan 0.000 0.478 237 P HA 0.027 nan 4.420 nan 0.000 0.234 237 P C 0.831 178.105 177.300 -0.044 0.000 1.167 237 P CA 0.617 63.712 63.100 -0.008 0.000 0.763 237 P CB 0.169 31.862 31.700 -0.012 0.000 0.835 238 G N -0.553 108.218 108.800 -0.048 0.000 2.584 238 G HA2 -0.161 3.799 3.960 0.001 0.000 0.229 238 G HA3 -0.161 3.799 3.960 0.001 0.000 0.229 238 G C -0.810 174.028 174.900 -0.103 0.000 1.320 238 G CA -0.267 44.785 45.100 -0.079 0.000 0.891 238 G HN 0.243 nan 8.290 nan 0.000 0.573 239 T N 0.742 115.226 114.554 -0.116 0.000 2.792 239 T HA 0.541 4.891 4.350 0.001 0.000 0.280 239 T C -0.120 174.513 174.700 -0.111 0.000 0.990 239 T CA -0.235 61.792 62.100 -0.121 0.000 0.960 239 T CB 1.635 70.425 68.868 -0.131 0.000 0.939 239 T HN 0.908 nan 8.240 nan 0.000 0.439 240 L N 4.574 125.732 121.223 -0.109 0.000 2.305 240 L HA 0.544 4.884 4.340 0.001 0.000 0.281 240 L C -1.065 175.719 176.870 -0.142 0.000 1.085 240 L CA -0.291 54.479 54.840 -0.117 0.000 0.813 240 L CB 0.239 42.233 42.059 -0.108 0.000 1.157 240 L HN 0.482 nan 8.230 nan 0.000 0.436 241 I N 5.939 126.413 120.570 -0.161 0.000 2.328 241 I HA 0.730 4.900 4.170 0.001 0.000 0.287 241 I C 0.018 175.858 176.117 -0.463 0.000 1.012 241 I CA 0.052 61.204 61.300 -0.246 0.000 1.195 241 I CB 0.844 38.765 38.000 -0.132 0.000 1.350 241 I HN 0.746 nan 8.210 nan 0.000 0.464 242 A N 4.183 126.633 122.820 -0.617 0.000 2.608 242 A HA 0.905 5.225 4.320 0.001 0.000 0.292 242 A C -0.253 176.952 177.584 -0.631 0.000 1.066 242 A CA -0.189 51.412 52.037 -0.726 0.000 0.676 242 A CB 1.188 20.004 19.000 -0.306 0.000 1.277 242 A HN 1.437 nan 8.150 nan 0.000 0.413 243 G N -0.278 108.238 108.800 -0.474 0.000 2.722 243 G HA2 0.355 4.316 3.960 0.001 0.000 0.686 243 G HA3 0.355 4.316 3.960 0.001 0.000 0.686 243 G C -0.027 174.861 174.900 -0.021 0.000 1.282 243 G CA 0.143 45.158 45.100 -0.142 0.000 0.817 243 G HN 2.061 nan 8.290 nan 0.000 0.605 244 S N 1.501 117.274 115.700 0.121 0.000 2.537 244 S HA 0.461 4.931 4.470 0.001 0.000 0.275 244 S C 1.796 176.426 174.600 0.050 0.000 1.272 244 S CA 0.463 58.749 58.200 0.144 0.000 1.050 244 S CB 1.030 64.303 63.200 0.121 0.000 0.961 244 S HN 1.096 nan 8.310 nan 0.000 0.496 245 M N 3.945 123.571 119.600 0.043 0.000 2.202 245 M HA -0.169 4.312 4.480 0.001 0.000 0.262 245 M C 1.938 178.235 176.300 -0.005 0.000 1.063 245 M CA 2.325 57.629 55.300 0.006 0.000 1.097 245 M CB -0.469 32.134 32.600 0.004 0.000 1.382 245 M HN 0.946 nan 8.290 nan 0.000 0.413 246 E N -0.706 119.496 120.200 0.003 0.000 2.267 246 E HA -0.229 4.121 4.350 0.001 0.000 0.197 246 E C 0.657 177.253 176.600 -0.007 0.000 0.998 246 E CA 1.519 57.915 56.400 -0.006 0.000 0.830 246 E CB -0.420 29.277 29.700 -0.005 0.000 0.751 246 E HN 0.571 nan 8.360 nan 0.000 0.491 247 D N 0.681 121.080 120.400 -0.001 0.000 2.339 247 D HA 0.153 4.793 4.640 0.001 0.000 0.217 247 D C 0.323 176.617 176.300 -0.011 0.000 1.050 247 D CA 0.129 54.127 54.000 -0.003 0.000 0.856 247 D CB 0.321 41.124 40.800 0.004 0.000 0.922 247 D HN 0.290 nan 8.370 nan 0.000 0.518 248 I N 2.412 122.972 120.570 -0.017 0.000 2.371 248 I HA 0.154 4.325 4.170 0.001 0.000 0.290 248 I C -1.932 174.172 176.117 -0.022 0.000 1.028 248 I CA -1.749 59.538 61.300 -0.022 0.000 1.345 248 I CB 0.835 38.818 38.000 -0.030 0.000 1.407 248 I HN -0.355 nan 8.210 nan 0.000 0.501 249 P HA 0.052 nan 4.420 nan 0.000 0.271 249 P C 0.826 178.116 177.300 -0.016 0.000 1.244 249 P CA -0.378 62.715 63.100 -0.012 0.000 0.793 249 P CB 0.797 32.495 31.700 -0.002 0.000 0.984 250 V N 0.246 120.153 119.914 -0.012 0.000 2.407 250 V HA -0.164 3.956 4.120 0.001 0.000 0.245 250 V C 2.701 178.826 176.094 0.053 0.000 1.041 250 V CA 2.459 64.745 62.300 -0.023 0.000 1.040 250 V CB -1.685 30.130 31.823 -0.015 0.000 0.671 250 V HN 0.679 nan 8.190 nan 0.000 0.455 251 E N 0.284 120.524 120.200 0.066 0.000 2.106 251 E HA -0.223 4.128 4.350 0.001 0.000 0.192 251 E C 2.001 178.640 176.600 0.066 0.000 0.984 251 E CA 1.585 58.035 56.400 0.083 0.000 0.806 251 E CB -0.753 28.977 29.700 0.048 0.000 0.750 251 E HN 0.809 nan 8.360 nan 0.000 0.458 252 E N -0.166 120.056 120.200 0.035 0.000 2.435 252 E HA 0.577 4.928 4.350 0.001 0.000 0.195 252 E C 1.378 177.988 176.600 0.017 0.000 1.029 252 E CA 0.420 56.832 56.400 0.020 0.000 0.865 252 E CB -0.270 29.432 29.700 0.004 0.000 0.833 252 E HN 0.909 nan 8.360 nan 0.000 0.510 253 A N 0.196 123.026 122.820 0.017 0.000 2.409 253 A HA 0.586 4.906 4.320 0.001 0.000 0.262 253 A C 0.053 177.656 177.584 0.030 0.000 1.113 253 A CA -0.016 52.016 52.037 -0.008 0.000 0.790 253 A CB 0.866 19.825 19.000 -0.069 0.000 1.046 253 A HN 0.470 nan 8.150 nan 0.000 0.496 254 V N 3.067 122.986 119.914 0.008 0.000 3.155 254 V HA 0.472 4.592 4.120 0.001 0.000 0.313 254 V C -0.464 175.624 176.094 -0.010 0.000 1.162 254 V CA -0.797 61.515 62.300 0.019 0.000 1.048 254 V CB 2.197 34.024 31.823 0.006 0.000 1.092 254 V HN 0.801 nan 8.190 nan 0.000 0.447 255 L N 2.109 123.320 121.223 -0.020 0.000 2.290 255 L HA 0.343 4.684 4.340 0.001 0.000 0.284 255 L C 1.260 178.092 176.870 -0.064 0.000 1.078 255 L CA 0.072 54.867 54.840 -0.076 0.000 0.815 255 L CB 1.438 43.405 42.059 -0.153 0.000 1.162 255 L HN 0.777 nan 8.230 nan 0.000 0.435 256 T N 1.264 115.781 114.554 -0.062 0.000 2.814 256 T HA 0.208 4.558 4.350 0.001 0.000 0.254 256 T C 0.641 175.326 174.700 -0.025 0.000 1.037 256 T CA 0.750 62.826 62.100 -0.040 0.000 1.143 256 T CB 0.197 69.045 68.868 -0.033 0.000 0.866 256 T HN 0.810 nan 8.240 nan 0.000 0.431 257 G N -0.288 108.498 108.800 -0.023 0.000 2.466 257 G HA2 0.479 4.439 3.960 0.001 0.000 0.291 257 G HA3 0.479 4.439 3.960 0.001 0.000 0.291 257 G C -2.120 172.801 174.900 0.035 0.000 1.460 257 G CA -0.740 44.374 45.100 0.023 0.000 0.791 257 G HN 0.125 nan 8.290 nan 0.000 0.505 258 V N 0.336 120.304 119.914 0.090 0.000 2.459 258 V HA 0.818 4.938 4.120 0.001 0.000 0.295 258 V C 0.482 176.633 176.094 0.095 0.000 1.029 258 V CA 0.016 62.376 62.300 0.101 0.000 0.874 258 V CB 1.053 32.960 31.823 0.140 0.000 0.985 258 V HN 1.483 nan 8.190 nan 0.000 0.438 259 A N 3.325 126.196 122.820 0.084 0.000 2.413 259 A HA 0.921 5.242 4.320 0.001 0.000 0.307 259 A C -0.440 177.184 177.584 0.066 0.000 1.087 259 A CA -0.609 51.469 52.037 0.069 0.000 0.750 259 A CB 2.290 21.326 19.000 0.060 0.000 1.296 259 A HN 0.665 nan 8.150 nan 0.000 0.423 260 T N 0.090 114.674 114.554 0.050 0.000 2.909 260 T HA 0.602 4.953 4.350 0.001 0.000 0.299 260 T C -2.197 172.523 174.700 0.034 0.000 1.073 260 T CA -0.290 61.836 62.100 0.042 0.000 0.999 260 T CB 1.467 70.352 68.868 0.029 0.000 1.098 260 T HN 0.756 nan 8.240 nan 0.000 0.477 261 D N 1.926 122.345 120.400 0.032 0.000 2.764 261 D HA 0.283 4.923 4.640 0.001 0.000 0.227 261 D C -0.162 176.149 176.300 0.019 0.000 1.347 261 D CA -0.528 53.488 54.000 0.026 0.000 0.953 261 D CB 1.288 42.106 40.800 0.030 0.000 1.476 261 D HN 0.628 nan 8.370 nan 0.000 0.585 262 K N 0.956 121.364 120.400 0.014 0.000 2.478 262 K HA 0.201 4.522 4.320 0.001 0.000 0.205 262 K C 0.500 177.104 176.600 0.007 0.000 1.033 262 K CA -0.304 55.986 56.287 0.006 0.000 1.091 262 K CB 0.321 32.822 32.500 0.002 0.000 0.844 262 K HN 0.112 nan 8.250 nan 0.000 0.507 263 S N -0.344 115.365 115.700 0.015 0.000 2.540 263 S HA 0.140 4.611 4.470 0.001 0.000 0.218 263 S C -0.098 174.518 174.600 0.026 0.000 0.977 263 S CA -0.588 57.624 58.200 0.021 0.000 0.918 263 S CB -0.029 63.187 63.200 0.026 0.000 0.806 263 S HN 0.217 nan 8.310 nan 0.000 0.496 264 E N 1.158 121.369 120.200 0.018 0.000 2.222 264 E HA 0.751 5.101 4.350 0.001 0.000 0.267 264 E C -0.693 175.903 176.600 -0.005 0.000 0.963 264 E CA -0.677 55.736 56.400 0.022 0.000 0.837 264 E CB 1.996 31.711 29.700 0.024 0.000 1.183 264 E HN 0.324 nan 8.360 nan 0.000 0.403 265 A N 1.463 124.283 122.820 0.001 0.000 2.356 265 A HA 0.535 4.856 4.320 0.001 0.000 0.323 265 A C -0.485 177.040 177.584 -0.098 0.000 1.119 265 A CA -0.677 51.318 52.037 -0.069 0.000 0.790 265 A CB 1.260 20.255 19.000 -0.009 0.000 1.273 265 A HN 0.445 nan 8.150 nan 0.000 0.452 266 K N 1.506 121.797 120.400 -0.182 0.000 2.244 266 K HA 0.635 4.955 4.320 0.001 0.000 0.260 266 K C -1.656 174.771 176.600 -0.287 0.000 0.951 266 K CA -0.342 55.812 56.287 -0.223 0.000 0.826 266 K CB 1.471 33.871 32.500 -0.167 0.000 1.108 266 K HN 0.444 nan 8.250 nan 0.000 0.433 267 V N 2.730 122.337 119.914 -0.511 0.000 2.680 267 V HA 0.426 4.546 4.120 0.001 0.000 0.309 267 V C -0.630 175.173 176.094 -0.485 0.000 1.052 267 V CA -0.710 61.282 62.300 -0.512 0.000 0.908 267 V CB 2.082 33.430 31.823 -0.792 0.000 1.001 267 V HN 0.868 nan 8.190 nan 0.000 0.431 268 T N 3.277 117.676 114.554 -0.257 0.000 2.840 268 T HA 0.467 4.817 4.350 0.001 0.000 0.287 268 T C -0.554 174.044 174.700 -0.171 0.000 0.991 268 T CA -0.378 61.614 62.100 -0.180 0.000 0.964 268 T CB 1.575 70.374 68.868 -0.115 0.000 0.954 268 T HN 0.335 nan 8.240 nan 0.000 0.438 269 V N 6.053 125.840 119.914 -0.211 0.000 2.364 269 V HA 0.485 4.605 4.120 0.001 0.000 0.272 269 V C 0.178 176.158 176.094 -0.191 0.000 1.036 269 V CA -0.719 61.379 62.300 -0.337 0.000 0.880 269 V CB 0.420 31.863 31.823 -0.633 0.000 0.991 269 V HN 0.721 nan 8.190 nan 0.000 0.460 270 L N 2.529 123.690 121.223 -0.104 0.000 2.346 270 L HA 1.018 5.358 4.340 0.001 0.000 0.274 270 L C 0.558 177.458 176.870 0.050 0.000 1.007 270 L CA -0.388 54.441 54.840 -0.020 0.000 0.818 270 L CB 1.875 43.928 42.059 -0.009 0.000 1.284 270 L HN 0.759 nan 8.230 nan 0.000 0.424 271 G N 2.857 111.693 108.800 0.061 0.000 2.130 271 G HA2 -0.169 3.792 3.960 0.001 0.000 0.216 271 G HA3 -0.169 3.792 3.960 0.001 0.000 0.216 271 G C -0.136 174.845 174.900 0.135 0.000 0.999 271 G CA -0.046 45.110 45.100 0.094 0.000 0.686 271 G HN 0.633 nan 8.290 nan 0.000 0.515 272 I N 2.183 122.829 120.570 0.127 0.000 2.496 272 I HA 0.310 4.480 4.170 0.001 0.000 0.285 272 I C 1.342 177.527 176.117 0.114 0.000 1.080 272 I CA 0.029 61.429 61.300 0.166 0.000 1.404 272 I CB 1.198 39.281 38.000 0.138 0.000 1.403 272 I HN 0.393 nan 8.210 nan 0.000 0.539 273 S N 3.121 118.887 115.700 0.111 0.000 2.549 273 S HA 0.067 4.537 4.470 0.001 0.000 0.279 273 S C -0.200 174.440 174.600 0.068 0.000 1.321 273 S CA -0.827 57.418 58.200 0.074 0.000 1.054 273 S CB 1.198 64.433 63.200 0.058 0.000 0.899 273 S HN 0.584 nan 8.310 nan 0.000 0.497 274 D N 1.827 122.258 120.400 0.052 0.000 2.470 274 D HA 0.260 4.901 4.640 0.001 0.000 0.226 274 D C -0.143 176.182 176.300 0.041 0.000 1.196 274 D CA 0.008 54.036 54.000 0.047 0.000 0.979 274 D CB -0.262 40.560 40.800 0.037 0.000 1.059 274 D HN 0.693 nan 8.370 nan 0.000 0.515 275 K N 2.281 122.709 120.400 0.046 0.000 2.569 275 K HA 0.442 4.763 4.320 0.001 0.000 0.259 275 K C -3.108 173.518 176.600 0.044 0.000 0.932 275 K CA -1.588 54.723 56.287 0.039 0.000 0.833 275 K CB 1.460 33.981 32.500 0.035 0.000 1.340 275 K HN -0.104 nan 8.250 nan 0.000 0.429 276 P HA 0.065 nan 4.420 nan 0.000 0.265 276 P C 0.653 177.980 177.300 0.044 0.000 1.187 276 P CA 1.513 64.636 63.100 0.038 0.000 0.766 276 P CB 0.612 32.328 31.700 0.028 0.000 0.820 277 G N 1.755 110.587 108.800 0.053 0.000 2.241 277 G HA2 -0.255 3.705 3.960 0.001 0.000 0.244 277 G HA3 -0.255 3.705 3.960 0.001 0.000 0.244 277 G C 1.143 176.093 174.900 0.083 0.000 0.998 277 G CA -0.009 45.127 45.100 0.059 0.000 0.621 277 G HN 0.496 nan 8.290 nan 0.000 0.519 278 E N 0.590 120.846 120.200 0.094 0.000 2.107 278 E HA 0.122 4.472 4.350 0.001 0.000 0.191 278 E C 2.871 179.568 176.600 0.162 0.000 0.982 278 E CA 1.396 57.874 56.400 0.131 0.000 0.809 278 E CB -0.548 29.228 29.700 0.127 0.000 0.756 278 E HN 0.819 nan 8.360 nan 0.000 0.459 279 A N 1.544 124.452 122.820 0.146 0.000 1.902 279 A HA -0.099 4.222 4.320 0.001 0.000 0.217 279 A C 2.423 180.148 177.584 0.236 0.000 1.181 279 A CA 1.999 54.152 52.037 0.194 0.000 0.623 279 A CB -0.572 18.550 19.000 0.204 0.000 0.818 279 A HN 0.257 nan 8.150 nan 0.000 0.443 280 A N -0.237 122.691 122.820 0.178 0.000 1.940 280 A HA -0.180 4.140 4.320 0.001 0.000 0.219 280 A C 2.104 179.773 177.584 0.141 0.000 1.176 280 A CA 1.819 53.951 52.037 0.158 0.000 0.631 280 A CB -0.417 18.644 19.000 0.101 0.000 0.814 280 A HN 0.555 nan 8.150 nan 0.000 0.446 281 K N -0.472 120.012 120.400 0.141 0.000 2.026 281 K HA -0.089 4.231 4.320 0.001 0.000 0.208 281 K C 1.937 178.646 176.600 0.181 0.000 1.048 281 K CA 1.483 57.862 56.287 0.153 0.000 0.929 281 K CB -0.442 32.161 32.500 0.172 0.000 0.713 281 K HN 0.332 nan 8.250 nan 0.000 0.439 282 V N 0.758 120.743 119.914 0.119 0.000 2.255 282 V HA -0.236 3.884 4.120 0.001 0.000 0.247 282 V C 2.000 177.877 176.094 -0.362 0.000 1.051 282 V CA 1.843 64.016 62.300 -0.212 0.000 1.018 282 V CB -0.486 30.901 31.823 -0.728 0.000 0.641 282 V HN 0.162 nan 8.190 nan 0.000 0.445 283 F N -0.266 119.665 119.950 -0.033 0.000 2.569 283 F HA 0.108 4.636 4.527 0.001 0.000 0.295 283 F C 2.367 178.136 175.800 -0.053 0.000 1.115 283 F CA 0.742 58.684 58.000 -0.096 0.000 1.450 283 F CB -0.436 38.498 39.000 -0.110 0.000 1.107 283 F HN 0.012 nan 8.300 nan 0.000 0.563 284 R N 1.526 122.103 120.500 0.129 0.000 2.066 284 R HA -0.065 4.276 4.340 0.001 0.000 0.232 284 R C 2.190 178.521 176.300 0.052 0.000 1.131 284 R CA 1.712 57.860 56.100 0.080 0.000 0.955 284 R CB -1.147 29.195 30.300 0.069 0.000 0.851 284 R HN 0.154 nan 8.270 nan 0.000 0.432 285 A N 0.734 123.583 122.820 0.047 0.000 1.892 285 A HA -0.159 4.162 4.320 0.001 0.000 0.218 285 A C 2.361 179.955 177.584 0.017 0.000 1.188 285 A CA 1.872 53.934 52.037 0.042 0.000 0.631 285 A CB -0.774 18.276 19.000 0.083 0.000 0.822 285 A HN 0.375 nan 8.150 nan 0.000 0.447 286 L N -1.151 120.057 121.223 -0.024 0.000 2.056 286 L HA -0.140 4.201 4.340 0.001 0.000 0.207 286 L C 3.107 179.979 176.870 0.003 0.000 1.078 286 L CA 0.943 55.759 54.840 -0.041 0.000 0.749 286 L CB -0.558 41.409 42.059 -0.153 0.000 0.901 286 L HN 0.444 nan 8.230 nan 0.000 0.433 287 A N -0.040 122.797 122.820 0.028 0.000 1.902 287 A HA -0.224 4.096 4.320 0.001 0.000 0.217 287 A C 1.909 179.506 177.584 0.022 0.000 1.181 287 A CA 1.943 53.997 52.037 0.028 0.000 0.623 287 A CB -0.491 18.532 19.000 0.038 0.000 0.818 287 A HN 0.344 nan 8.150 nan 0.000 0.443 288 D N 0.202 120.616 120.400 0.024 0.000 2.117 288 D HA -0.043 4.597 4.640 0.001 0.000 0.197 288 D C 1.992 178.304 176.300 0.020 0.000 0.987 288 D CA 1.538 55.551 54.000 0.021 0.000 0.829 288 D CB -0.424 40.389 40.800 0.022 0.000 0.961 288 D HN 0.429 nan 8.370 nan 0.000 0.460 289 A N 0.153 122.986 122.820 0.021 0.000 2.239 289 A HA -0.032 4.289 4.320 0.001 0.000 0.209 289 A C 0.687 178.286 177.584 0.024 0.000 1.171 289 A CA 0.688 52.739 52.037 0.023 0.000 0.768 289 A CB -0.417 18.599 19.000 0.026 0.000 0.790 289 A HN 0.165 nan 8.150 nan 0.000 0.478 290 E N -1.163 119.050 120.200 0.022 0.000 2.416 290 E HA -0.150 4.201 4.350 0.001 0.000 0.249 290 E C -0.647 175.971 176.600 0.030 0.000 1.124 290 E CA 0.370 56.784 56.400 0.024 0.000 0.732 290 E CB -1.453 28.260 29.700 0.023 0.000 1.286 290 E HN 0.431 nan 8.360 nan 0.000 0.394 291 I N 1.837 122.425 120.570 0.030 0.000 2.322 291 I HA 0.141 4.311 4.170 0.001 0.000 0.292 291 I C 0.658 176.801 176.117 0.042 0.000 1.060 291 I CA -0.365 60.963 61.300 0.046 0.000 1.309 291 I CB 0.332 38.359 38.000 0.045 0.000 1.415 291 I HN 0.102 nan 8.210 nan 0.000 0.492 292 N N 7.253 125.988 118.700 0.058 0.000 2.458 292 N HA 0.224 4.965 4.740 0.001 0.000 0.258 292 N C -0.213 175.342 175.510 0.075 0.000 1.219 292 N CA 0.226 53.309 53.050 0.054 0.000 0.902 292 N CB 1.063 39.584 38.487 0.056 0.000 1.076 292 N HN 0.397 nan 8.380 nan 0.000 0.455 293 I N 1.441 122.039 120.570 0.047 0.000 2.420 293 I HA 0.068 4.239 4.170 0.001 0.000 0.282 293 I C 0.750 176.903 176.117 0.060 0.000 1.019 293 I CA -0.423 60.915 61.300 0.062 0.000 1.130 293 I CB 1.673 39.654 38.000 -0.032 0.000 1.262 293 I HN 0.499 nan 8.210 nan 0.000 0.454 294 D N 6.021 126.485 120.400 0.106 0.000 2.091 294 D HA -0.018 4.623 4.640 0.001 0.000 0.199 294 D C 0.547 176.882 176.300 0.057 0.000 0.980 294 D CA 1.463 55.507 54.000 0.073 0.000 0.831 294 D CB 0.546 41.395 40.800 0.082 0.000 0.987 294 D HN 0.484 nan 8.370 nan 0.000 0.460 295 M N 0.017 119.673 119.600 0.093 0.000 2.520 295 M HA 0.437 4.918 4.480 0.001 0.000 0.283 295 M C -2.195 174.180 176.300 0.126 0.000 1.237 295 M CA -0.908 54.433 55.300 0.068 0.000 0.885 295 M CB 2.531 35.162 32.600 0.052 0.000 1.727 295 M HN -0.143 nan 8.290 nan 0.000 0.468 296 V N 4.905 124.866 119.914 0.078 0.000 2.733 296 V HA 0.674 4.795 4.120 0.001 0.000 0.306 296 V C -2.334 173.809 176.094 0.082 0.000 1.084 296 V CA -0.604 61.781 62.300 0.141 0.000 0.905 296 V CB 2.290 34.188 31.823 0.126 0.000 1.010 296 V HN 0.853 nan 8.190 nan 0.000 0.424 297 L N 5.837 127.122 121.223 0.103 0.000 2.362 297 L HA 0.698 5.039 4.340 0.001 0.000 0.275 297 L C -0.400 176.512 176.870 0.070 0.000 0.998 297 L CA -0.162 54.714 54.840 0.059 0.000 0.820 297 L CB 1.487 43.568 42.059 0.035 0.000 1.270 297 L HN 0.937 nan 8.230 nan 0.000 0.415 298 Q N 2.580 122.411 119.800 0.052 0.000 2.315 298 Q HA 0.450 4.790 4.340 0.001 0.000 0.273 298 Q C -1.548 174.469 176.000 0.030 0.000 1.053 298 Q CA -0.505 55.328 55.803 0.049 0.000 0.817 298 Q CB 3.020 31.799 28.738 0.067 0.000 1.326 298 Q HN 0.670 nan 8.270 nan 0.000 0.423 299 N N 1.054 119.768 118.700 0.024 0.000 2.531 299 N HA 0.785 5.526 4.740 0.001 0.000 0.290 299 N C -1.182 174.338 175.510 0.018 0.000 1.257 299 N CA 0.164 53.224 53.050 0.016 0.000 0.863 299 N CB 1.925 40.418 38.487 0.011 0.000 1.320 299 N HN 0.637 nan 8.380 nan 0.000 0.538 300 V N -5.874 114.048 119.914 0.014 0.000 2.488 300 V HA 0.444 4.564 4.120 0.001 0.000 0.313 300 V C -0.991 175.110 176.094 0.011 0.000 1.888 300 V CA -0.902 61.406 62.300 0.014 0.000 0.832 300 V CB -1.094 30.739 31.823 0.018 0.000 1.231 300 V HN 0.661 nan 8.190 nan 0.000 0.285 307 T N -2.937 111.638 114.554 0.035 0.000 2.858 307 T HA 0.876 5.226 4.350 0.001 0.000 0.285 307 T C -0.410 174.314 174.700 0.040 0.000 1.052 307 T CA -0.302 61.825 62.100 0.044 0.000 1.009 307 T CB 2.993 71.892 68.868 0.052 0.000 1.241 307 T HN 0.558 nan 8.240 nan 0.000 0.542 308 T N -0.881 113.700 114.554 0.045 0.000 2.731 308 T HA 0.486 4.836 4.350 0.001 0.000 0.300 308 T C -2.136 172.583 174.700 0.031 0.000 1.283 308 T CA -0.709 61.412 62.100 0.035 0.000 1.005 308 T CB 1.622 70.512 68.868 0.036 0.000 1.420 308 T HN 0.756 nan 8.240 nan 0.000 0.503 309 D N 1.295 121.706 120.400 0.019 0.000 2.342 309 D HA 0.559 5.199 4.640 0.001 0.000 0.243 309 D C -0.644 175.660 176.300 0.007 0.000 1.019 309 D CA -0.294 53.706 54.000 -0.000 0.000 0.864 309 D CB 1.987 42.783 40.800 -0.006 0.000 1.315 309 D HN 0.454 nan 8.370 nan 0.000 0.468 310 I N 0.977 121.538 120.570 -0.014 0.000 2.466 310 I HA 0.181 4.352 4.170 0.001 0.000 0.289 310 I C -0.175 175.970 176.117 0.048 0.000 1.026 310 I CA -0.330 60.995 61.300 0.041 0.000 1.078 310 I CB 2.148 40.184 38.000 0.061 0.000 1.249 310 I HN 0.045 nan 8.210 nan 0.000 0.429 311 T N 6.456 121.062 114.554 0.087 0.000 2.888 311 T HA 0.736 5.087 4.350 0.001 0.000 0.284 311 T C -0.806 174.010 174.700 0.193 0.000 1.017 311 T CA -0.330 61.792 62.100 0.037 0.000 1.022 311 T CB 1.262 70.121 68.868 -0.015 0.000 1.013 311 T HN 0.416 nan 8.240 nan 0.000 0.465 312 F N -0.584 119.397 119.950 0.051 0.000 2.654 312 F HA 0.736 5.264 4.527 0.001 0.000 0.308 312 F C -0.418 175.416 175.800 0.057 0.000 1.108 312 F CA -1.211 56.840 58.000 0.086 0.000 0.957 312 F CB 0.851 39.966 39.000 0.192 0.000 1.309 312 F HN 0.525 nan 8.300 nan 0.000 0.446 313 T N 0.091 114.779 114.554 0.224 0.000 2.859 313 T HA 0.736 5.087 4.350 0.001 0.000 0.281 313 T C -0.326 174.548 174.700 0.290 0.000 1.005 313 T CA -0.509 61.669 62.100 0.130 0.000 1.025 313 T CB 0.946 69.856 68.868 0.070 0.000 0.977 313 T HN 1.394 nan 8.240 nan 0.000 0.458 314 C N 0.685 120.121 119.300 0.227 0.000 2.971 314 C HA 0.886 5.347 4.460 0.001 0.000 0.310 314 C C -2.939 172.133 174.990 0.137 0.000 1.285 314 C CA -2.689 56.466 59.018 0.228 0.000 1.593 314 C CB 1.023 28.958 27.740 0.325 0.000 2.076 314 C HN 0.632 nan 8.230 nan 0.000 0.472 315 P HA 0.188 nan 4.420 nan 0.000 0.268 315 P C 0.518 177.876 177.300 0.097 0.000 1.208 315 P CA 0.221 63.373 63.100 0.086 0.000 0.777 315 P CB 0.404 32.149 31.700 0.074 0.000 0.875 316 R N 1.147 121.696 120.500 0.081 0.000 2.193 316 R HA -0.100 4.241 4.340 0.001 0.000 0.229 316 R C 2.078 178.441 176.300 0.105 0.000 1.110 316 R CA 1.730 57.890 56.100 0.100 0.000 0.988 316 R CB -0.581 29.761 30.300 0.070 0.000 0.871 316 R HN 0.608 nan 8.270 nan 0.000 0.458 317 S N 0.416 116.164 115.700 0.079 0.000 2.474 317 S HA -0.092 4.379 4.470 0.001 0.000 0.235 317 S C 0.980 175.621 174.600 0.068 0.000 0.997 317 S CA 1.167 59.407 58.200 0.066 0.000 0.949 317 S CB 0.117 63.348 63.200 0.051 0.000 0.766 317 S HN 0.179 nan 8.310 nan 0.000 0.517 318 D N 1.051 121.504 120.400 0.089 0.000 2.389 318 D HA 0.239 4.880 4.640 0.001 0.000 0.206 318 D C 1.996 178.361 176.300 0.108 0.000 1.055 318 D CA 0.730 54.785 54.000 0.092 0.000 0.856 318 D CB -0.586 40.279 40.800 0.109 0.000 0.957 318 D HN 0.495 nan 8.370 nan 0.000 0.509 319 G N 1.124 110.011 108.800 0.145 0.000 2.442 319 G HA2 -0.351 3.610 3.960 0.001 0.000 0.219 319 G HA3 -0.351 3.610 3.960 0.001 0.000 0.219 319 G C 1.900 176.754 174.900 -0.076 0.000 1.141 319 G CA 1.482 46.696 45.100 0.191 0.000 0.763 319 G HN 0.431 nan 8.290 nan 0.000 0.554 320 R N 0.495 120.913 120.500 -0.136 0.000 2.066 320 R HA 0.131 4.471 4.340 0.001 0.000 0.232 320 R C 2.435 178.652 176.300 -0.137 0.000 1.131 320 R CA 1.803 57.750 56.100 -0.255 0.000 0.955 320 R CB -1.075 29.136 30.300 -0.148 0.000 0.851 320 R HN 0.477 nan 8.270 nan 0.000 0.432 321 R N -0.193 120.279 120.500 -0.048 0.000 2.091 321 R HA -0.079 4.262 4.340 0.001 0.000 0.238 321 R C 2.635 178.943 176.300 0.013 0.000 1.136 321 R CA 1.647 57.741 56.100 -0.010 0.000 0.959 321 R CB -0.580 29.729 30.300 0.016 0.000 0.856 321 R HN 0.513 nan 8.270 nan 0.000 0.437 322 A N 1.104 123.953 122.820 0.049 0.000 1.873 322 A HA -0.276 4.045 4.320 0.001 0.000 0.218 322 A C 2.244 179.875 177.584 0.080 0.000 1.193 322 A CA 1.884 53.995 52.037 0.124 0.000 0.629 322 A CB -0.695 18.460 19.000 0.260 0.000 0.826 322 A HN 0.489 nan 8.150 nan 0.000 0.447 323 M N -0.891 118.704 119.600 -0.009 0.000 2.117 323 M HA -0.193 4.287 4.480 0.001 0.000 0.262 323 M C 2.055 178.346 176.300 -0.015 0.000 1.065 323 M CA 2.142 57.416 55.300 -0.043 0.000 1.114 323 M CB -0.374 32.112 32.600 -0.191 0.000 1.361 323 M HN 0.589 nan 8.290 nan 0.000 0.408 324 E N 0.273 120.452 120.200 -0.035 0.000 2.038 324 E HA -0.243 4.108 4.350 0.001 0.000 0.195 324 E C 1.774 178.393 176.600 0.032 0.000 1.000 324 E CA 1.780 58.175 56.400 -0.008 0.000 0.803 324 E CB -0.253 29.435 29.700 -0.020 0.000 0.750 324 E HN 0.388 nan 8.360 nan 0.000 0.448 325 I N 0.504 121.100 120.570 0.043 0.000 2.091 325 I HA -0.277 3.893 4.170 0.001 0.000 0.239 325 I C 2.115 178.306 176.117 0.123 0.000 1.061 325 I CA 1.233 62.574 61.300 0.067 0.000 1.317 325 I CB -0.507 37.530 38.000 0.063 0.000 1.031 325 I HN 0.121 nan 8.210 nan 0.000 0.401 326 L N -0.106 121.206 121.223 0.149 0.000 2.083 326 L HA -0.164 4.176 4.340 0.001 0.000 0.209 326 L C 2.375 179.449 176.870 0.340 0.000 1.083 326 L CA 1.679 56.685 54.840 0.276 0.000 0.752 326 L CB -1.148 40.981 42.059 0.118 0.000 0.899 326 L HN 0.191 nan 8.230 nan 0.000 0.433 327 K N -0.247 120.264 120.400 0.185 0.000 2.057 327 K HA -0.191 4.130 4.320 0.001 0.000 0.207 327 K C 2.173 178.838 176.600 0.108 0.000 1.049 327 K CA 0.966 57.344 56.287 0.151 0.000 0.931 327 K CB -0.098 32.448 32.500 0.075 0.000 0.714 327 K HN 0.100 nan 8.250 nan 0.000 0.440 328 K N 0.895 121.342 120.400 0.078 0.000 2.209 328 K HA -0.103 4.217 4.320 0.001 0.000 0.204 328 K C 1.808 178.418 176.600 0.016 0.000 1.048 328 K CA 0.616 56.925 56.287 0.037 0.000 0.940 328 K CB -0.108 32.409 32.500 0.028 0.000 0.729 328 K HN -0.052 nan 8.250 nan 0.000 0.451 329 L N 0.483 121.738 121.223 0.053 0.000 2.509 329 L HA 0.074 4.415 4.340 0.001 0.000 0.222 329 L C 2.037 178.747 176.870 -0.266 0.000 1.123 329 L CA 1.125 55.932 54.840 -0.054 0.000 0.856 329 L CB -0.192 41.915 42.059 0.080 0.000 0.985 329 L HN 0.277 nan 8.230 nan 0.000 0.456 330 Q N -0.605 119.155 119.800 -0.066 0.000 2.062 330 Q HA -0.128 4.213 4.340 0.001 0.000 0.196 330 Q C 2.154 178.054 176.000 -0.167 0.000 0.967 330 Q CA 2.003 57.704 55.803 -0.170 0.000 0.832 330 Q CB -0.106 28.769 28.738 0.230 0.000 0.899 330 Q HN 0.451 nan 8.270 nan 0.000 0.442 331 V N -0.608 119.263 119.914 -0.071 0.000 2.527 331 V HA -0.255 3.866 4.120 0.001 0.000 0.255 331 V C 1.066 177.100 176.094 -0.100 0.000 1.081 331 V CA 1.999 64.263 62.300 -0.060 0.000 1.092 331 V CB -0.708 31.096 31.823 -0.032 0.000 0.673 331 V HN 0.354 nan 8.190 nan 0.000 0.470 332 Q N 0.690 120.395 119.800 -0.159 0.000 2.242 332 Q HA 0.482 4.822 4.340 0.001 0.000 0.246 332 Q C 1.568 177.433 176.000 -0.226 0.000 0.883 332 Q CA 0.437 56.139 55.803 -0.168 0.000 0.984 332 Q CB 0.365 29.006 28.738 -0.161 0.000 1.096 332 Q HN 0.879 nan 8.270 nan 0.000 0.452 333 G N 0.946 109.610 108.800 -0.226 0.000 2.284 333 G HA2 -0.387 3.574 3.960 0.001 0.000 0.247 333 G HA3 -0.387 3.574 3.960 0.001 0.000 0.247 333 G C 0.908 175.641 174.900 -0.279 0.000 1.012 333 G CA 0.407 45.388 45.100 -0.197 0.000 0.618 333 G HN 0.514 nan 8.290 nan 0.000 0.521 334 N N -0.280 118.102 118.700 -0.530 0.000 2.258 334 N HA -0.056 4.684 4.740 0.001 0.000 0.187 334 N C 0.784 176.054 175.510 -0.399 0.000 1.012 334 N CA 2.064 54.681 53.050 -0.722 0.000 0.870 334 N CB -0.129 37.418 38.487 -1.568 0.000 0.977 334 N HN 0.881 nan 8.380 nan 0.000 0.434 335 W N -3.208 118.088 121.300 -0.006 0.000 2.929 335 W HA 0.205 4.866 4.660 0.001 0.000 0.363 335 W C 0.558 177.076 176.519 -0.001 0.000 1.168 335 W CA -0.498 56.845 57.345 -0.003 0.000 1.163 335 W CB -0.205 29.252 29.460 -0.005 0.000 1.455 335 W HN -0.281 nan 8.180 nan 0.000 0.568 336 T N -2.774 111.961 114.554 0.302 0.000 3.039 336 T HA 0.262 4.613 4.350 0.001 0.000 0.250 336 T C 0.124 174.923 174.700 0.164 0.000 1.052 336 T CA 1.234 63.435 62.100 0.167 0.000 1.125 336 T CB -0.066 68.866 68.868 0.108 0.000 0.908 336 T HN 0.458 nan 8.240 nan 0.000 0.473 337 N N -0.687 118.120 118.700 0.178 0.000 2.927 337 N HA 0.538 5.279 4.740 0.001 0.000 0.248 337 N C -2.318 173.234 175.510 0.070 0.000 1.443 337 N CA -0.570 52.551 53.050 0.118 0.000 0.870 337 N CB 2.299 40.825 38.487 0.065 0.000 1.444 337 N HN 0.167 nan 8.380 nan 0.000 0.519 338 V N 2.158 122.097 119.914 0.042 0.000 2.711 338 V HA 0.579 4.699 4.120 0.001 0.000 0.304 338 V C -1.466 174.629 176.094 0.002 0.000 1.097 338 V CA -0.538 61.749 62.300 -0.021 0.000 0.906 338 V CB 1.137 32.940 31.823 -0.034 0.000 1.015 338 V HN 0.580 nan 8.190 nan 0.000 0.427 339 L N 6.229 127.440 121.223 -0.020 0.000 2.334 339 L HA 0.695 5.036 4.340 0.001 0.000 0.270 339 L C -1.100 175.798 176.870 0.046 0.000 1.018 339 L CA -0.923 53.922 54.840 0.010 0.000 0.811 339 L CB 1.869 43.913 42.059 -0.024 0.000 1.271 339 L HN 0.827 nan 8.230 nan 0.000 0.443 340 Y N 0.916 121.167 120.300 -0.081 0.000 2.433 340 Y HA 0.488 5.039 4.550 0.000 0.000 0.337 340 Y C -1.714 174.144 175.900 -0.070 0.000 1.026 340 Y CA -0.956 57.090 58.100 -0.090 0.000 1.037 340 Y CB 1.887 40.309 38.460 -0.063 0.000 1.245 340 Y HN 0.532 nan 8.280 nan 0.000 0.443 341 D N 4.674 124.687 120.400 -0.645 0.000 2.602 341 D HA 0.196 4.836 4.640 0.001 0.000 0.245 341 D C -1.143 174.785 176.300 -0.620 0.000 1.325 341 D CA -0.422 53.261 54.000 -0.528 0.000 0.952 341 D CB 1.115 41.758 40.800 -0.261 0.000 1.317 341 D HN 0.730 nan 8.370 nan 0.000 0.577 342 D N 2.063 122.079 120.400 -0.639 0.000 2.559 342 D HA 0.061 4.701 4.640 0.001 0.000 0.234 342 D C 0.166 176.356 176.300 -0.185 0.000 1.226 342 D CA -0.048 53.719 54.000 -0.389 0.000 0.830 342 D CB 0.197 40.803 40.800 -0.324 0.000 1.028 342 D HN 0.361 nan 8.370 nan 0.000 0.492 343 Q N 0.425 120.126 119.800 -0.165 0.000 2.089 343 Q HA 0.196 4.537 4.340 0.001 0.000 0.248 343 Q C -0.095 175.859 176.000 -0.076 0.000 0.828 343 Q CA -0.333 55.413 55.803 -0.095 0.000 1.102 343 Q CB 1.989 30.679 28.738 -0.079 0.000 1.221 343 Q HN 0.309 nan 8.270 nan 0.000 0.455 344 V N -2.385 117.478 119.914 -0.083 0.000 2.644 344 V HA 0.904 5.024 4.120 0.001 0.000 0.295 344 V C 0.339 176.415 176.094 -0.031 0.000 1.053 344 V CA -0.518 61.748 62.300 -0.057 0.000 0.987 344 V CB 1.415 33.198 31.823 -0.066 0.000 1.006 344 V HN 0.152 nan 8.190 nan 0.000 0.472 345 G N 2.229 111.021 108.800 -0.013 0.000 2.452 345 G HA2 0.581 4.542 3.960 0.001 0.000 0.324 345 G HA3 0.581 4.542 3.960 0.001 0.000 0.324 345 G C -1.074 173.837 174.900 0.018 0.000 1.214 345 G CA -1.009 44.092 45.100 0.003 0.000 0.947 345 G HN 0.964 nan 8.290 nan 0.000 0.478 346 K N 1.161 121.577 120.400 0.027 0.000 2.240 346 K HA 0.577 4.898 4.320 0.001 0.000 0.271 346 K C -1.078 175.560 176.600 0.063 0.000 1.018 346 K CA -0.549 55.765 56.287 0.045 0.000 0.874 346 K CB 1.790 34.312 32.500 0.038 0.000 1.098 346 K HN 0.313 nan 8.250 nan 0.000 0.458 347 V N 3.456 123.430 119.914 0.099 0.000 2.604 347 V HA 0.628 4.748 4.120 0.001 0.000 0.305 347 V C -1.360 174.867 176.094 0.222 0.000 1.043 347 V CA -0.186 62.192 62.300 0.131 0.000 0.888 347 V CB 2.101 33.991 31.823 0.111 0.000 0.995 347 V HN 0.927 nan 8.190 nan 0.000 0.429 348 S N 5.919 121.741 115.700 0.203 0.000 2.627 348 S HA 0.791 5.262 4.470 0.001 0.000 0.283 348 S C -1.254 173.490 174.600 0.240 0.000 1.127 348 S CA -0.600 57.736 58.200 0.226 0.000 0.863 348 S CB 1.899 65.159 63.200 0.101 0.000 1.121 348 S HN 0.911 nan 8.310 nan 0.000 0.479 349 L N 1.937 123.308 121.223 0.247 0.000 2.381 349 L HA 0.859 5.199 4.340 0.001 0.000 0.274 349 L C -0.967 175.910 176.870 0.011 0.000 0.988 349 L CA -0.581 54.330 54.840 0.118 0.000 0.824 349 L CB 1.647 43.788 42.059 0.137 0.000 1.263 349 L HN 0.574 nan 8.230 nan 0.000 0.410 350 V N 4.756 124.657 119.914 -0.021 0.000 2.667 350 V HA 1.039 5.159 4.120 0.001 0.000 0.308 350 V C -0.235 175.820 176.094 -0.065 0.000 1.048 350 V CA 0.406 62.685 62.300 -0.035 0.000 0.928 350 V CB 1.567 33.383 31.823 -0.012 0.000 1.004 350 V HN 1.112 nan 8.190 nan 0.000 0.444 351 G N 3.697 112.458 108.800 -0.065 0.000 2.174 351 G HA2 0.541 4.502 3.960 0.001 0.000 0.312 351 G HA3 0.541 4.502 3.960 0.001 0.000 0.312 351 G C 0.166 175.029 174.900 -0.062 0.000 1.663 351 G CA 0.115 45.175 45.100 -0.068 0.000 0.920 351 G HN 1.466 nan 8.290 nan 0.000 0.664 352 A N 1.027 123.815 122.820 -0.054 0.000 2.032 352 A HA 0.154 4.475 4.320 0.001 0.000 0.221 352 A C 2.642 180.173 177.584 -0.089 0.000 1.165 352 A CA 2.925 54.925 52.037 -0.061 0.000 0.645 352 A CB -0.549 18.420 19.000 -0.052 0.000 0.807 352 A HN 1.826 nan 8.150 nan 0.000 0.453 353 G N 0.430 109.185 108.800 -0.074 0.000 2.450 353 G HA2 -0.257 3.704 3.960 0.001 0.000 0.220 353 G HA3 -0.257 3.704 3.960 0.001 0.000 0.220 353 G C 1.588 176.415 174.900 -0.122 0.000 1.130 353 G CA 1.300 46.349 45.100 -0.086 0.000 0.760 353 G HN 0.789 nan 8.290 nan 0.000 0.557 354 M N 0.879 120.442 119.600 -0.061 0.000 2.476 354 M HA 0.162 4.642 4.480 0.001 0.000 0.262 354 M C 2.220 178.484 176.300 -0.059 0.000 1.079 354 M CA 1.907 57.192 55.300 -0.026 0.000 1.104 354 M CB -0.244 32.334 32.600 -0.037 0.000 1.409 354 M HN 0.241 nan 8.290 nan 0.000 0.467 355 K N 0.664 121.002 120.400 -0.104 0.000 2.148 355 K HA 0.015 4.335 4.320 0.001 0.000 0.204 355 K C 0.673 177.215 176.600 -0.096 0.000 1.050 355 K CA 1.769 58.003 56.287 -0.088 0.000 0.942 355 K CB -0.162 32.288 32.500 -0.082 0.000 0.724 355 K HN 0.346 nan 8.250 nan 0.000 0.446 356 S N 0.344 115.935 115.700 -0.182 0.000 2.664 356 S HA 0.174 4.645 4.470 0.001 0.000 0.245 356 S C -0.980 173.576 174.600 -0.072 0.000 1.019 356 S CA -0.741 57.370 58.200 -0.148 0.000 0.996 356 S CB 0.216 63.309 63.200 -0.178 0.000 0.878 356 S HN 0.288 nan 8.310 nan 0.000 0.493 357 H N 1.333 120.408 119.070 0.008 0.000 2.762 357 H HA 0.344 4.900 4.556 0.001 0.000 0.310 357 H C -2.103 173.241 175.328 0.027 0.000 1.004 357 H CA -2.348 53.712 56.048 0.019 0.000 1.267 357 H CB 1.203 30.980 29.762 0.026 0.000 1.437 357 H HN -0.055 nan 8.280 nan 0.000 0.498 358 P HA -0.118 nan 4.420 nan 0.000 0.217 358 P C 1.439 178.790 177.300 0.085 0.000 1.148 358 P CA 1.367 64.520 63.100 0.088 0.000 0.828 358 P CB 0.354 32.092 31.700 0.064 0.000 0.783 359 G N -1.013 107.844 108.800 0.096 0.000 3.189 359 G HA2 0.003 3.963 3.960 0.001 0.000 0.225 359 G HA3 0.003 3.963 3.960 0.001 0.000 0.225 359 G C 1.287 176.277 174.900 0.149 0.000 1.159 359 G CA 0.233 45.390 45.100 0.095 0.000 0.763 359 G HN 0.336 nan 8.290 nan 0.000 0.549 360 V N 0.264 120.289 119.914 0.185 0.000 2.591 360 V HA -0.049 4.072 4.120 0.001 0.000 0.249 360 V C 2.622 178.902 176.094 0.310 0.000 1.053 360 V CA 2.777 65.253 62.300 0.295 0.000 1.068 360 V CB -0.136 31.819 31.823 0.220 0.000 0.689 360 V HN 0.322 nan 8.190 nan 0.000 0.462 361 T N -0.393 114.266 114.554 0.175 0.000 2.857 361 T HA -0.001 4.350 4.350 0.001 0.000 0.266 361 T C 2.006 176.821 174.700 0.191 0.000 1.048 361 T CA 1.886 64.070 62.100 0.140 0.000 1.139 361 T CB -0.466 68.409 68.868 0.011 0.000 0.874 361 T HN 0.797 nan 8.240 nan 0.000 0.455 362 A N 1.363 124.270 122.820 0.146 0.000 1.865 362 A HA -0.133 4.188 4.320 0.001 0.000 0.217 362 A C 2.270 179.936 177.584 0.137 0.000 1.191 362 A CA 2.087 54.195 52.037 0.118 0.000 0.623 362 A CB -1.046 18.000 19.000 0.076 0.000 0.826 362 A HN 0.714 nan 8.150 nan 0.000 0.444 363 E N -1.571 118.719 120.200 0.149 0.000 2.097 363 E HA -0.214 4.136 4.350 0.001 0.000 0.196 363 E C 1.764 178.422 176.600 0.097 0.000 1.000 363 E CA 1.358 57.784 56.400 0.043 0.000 0.804 363 E CB -0.261 29.415 29.700 -0.040 0.000 0.740 363 E HN 0.709 nan 8.360 nan 0.000 0.454 364 F N 0.511 120.599 119.950 0.229 0.000 2.069 364 F HA -0.275 4.253 4.527 0.001 0.000 0.298 364 F C 2.323 178.187 175.800 0.108 0.000 1.113 364 F CA 1.452 59.608 58.000 0.261 0.000 1.214 364 F CB -0.032 39.119 39.000 0.252 0.000 0.978 364 F HN -0.013 nan 8.300 nan 0.000 0.474 365 M N 0.585 120.443 119.600 0.429 0.000 2.108 365 M HA -0.240 4.241 4.480 0.001 0.000 0.261 365 M C 1.940 178.305 176.300 0.109 0.000 1.066 365 M CA 1.979 57.433 55.300 0.256 0.000 1.107 365 M CB -0.453 32.248 32.600 0.170 0.000 1.356 365 M HN 0.164 nan 8.290 nan 0.000 0.406 366 E N -0.702 119.534 120.200 0.060 0.000 2.107 366 E HA -0.105 4.246 4.350 0.001 0.000 0.191 366 E C 2.068 178.645 176.600 -0.038 0.000 0.982 366 E CA 0.985 57.387 56.400 0.002 0.000 0.809 366 E CB -0.249 29.441 29.700 -0.017 0.000 0.756 366 E HN 0.546 nan 8.360 nan 0.000 0.459 367 A N 1.078 123.850 122.820 -0.080 0.000 1.883 367 A HA -0.196 4.124 4.320 0.001 0.000 0.217 367 A C 2.071 179.604 177.584 -0.085 0.000 1.186 367 A CA 1.253 53.218 52.037 -0.120 0.000 0.624 367 A CB -0.461 18.420 19.000 -0.197 0.000 0.822 367 A HN 0.109 nan 8.150 nan 0.000 0.444 368 L N -0.357 120.825 121.223 -0.069 0.000 2.093 368 L HA -0.068 4.273 4.340 0.001 0.000 0.208 368 L C 2.540 179.406 176.870 -0.007 0.000 1.085 368 L CA 2.078 56.897 54.840 -0.035 0.000 0.755 368 L CB -0.891 41.172 42.059 0.006 0.000 0.904 368 L HN 0.579 nan 8.230 nan 0.000 0.435 369 R N -0.190 120.313 120.500 0.005 0.000 2.105 369 R HA -0.186 4.154 4.340 0.001 0.000 0.239 369 R C 1.484 177.779 176.300 -0.010 0.000 1.135 369 R CA 1.899 58.002 56.100 0.004 0.000 0.967 369 R CB -0.220 30.086 30.300 0.009 0.000 0.861 369 R HN 0.298 nan 8.270 nan 0.000 0.442 370 D N 0.012 120.399 120.400 -0.022 0.000 2.317 370 D HA 0.020 4.661 4.640 0.001 0.000 0.211 370 D C 0.527 176.811 176.300 -0.026 0.000 0.966 370 D CA 0.429 54.413 54.000 -0.026 0.000 0.876 370 D CB 0.217 40.994 40.800 -0.038 0.000 0.927 370 D HN 0.034 nan 8.370 nan 0.000 0.519 371 V N 1.065 120.963 119.914 -0.027 0.000 3.295 371 V HA 0.088 4.209 4.120 0.001 0.000 0.308 371 V C 1.048 177.134 176.094 -0.014 0.000 1.068 371 V CA -0.580 61.706 62.300 -0.022 0.000 1.062 371 V CB 1.294 33.101 31.823 -0.027 0.000 1.162 371 V HN -0.081 nan 8.190 nan 0.000 0.456 372 N N 1.235 119.928 118.700 -0.011 0.000 2.466 372 N HA 0.083 4.824 4.740 0.001 0.000 0.251 372 N C -0.513 174.996 175.510 -0.002 0.000 1.164 372 N CA -0.095 52.951 53.050 -0.006 0.000 0.888 372 N CB -0.352 38.131 38.487 -0.006 0.000 1.177 372 N HN 0.532 nan 8.380 nan 0.000 0.498 373 V N -0.773 119.141 119.914 -0.000 0.000 2.394 373 V HA 0.536 4.656 4.120 0.001 0.000 0.282 373 V C 0.076 176.181 176.094 0.019 0.000 1.031 373 V CA -1.188 61.116 62.300 0.007 0.000 0.881 373 V CB 1.139 32.965 31.823 0.004 0.000 0.982 373 V HN 0.117 nan 8.190 nan 0.000 0.451 374 N N 4.772 123.483 118.700 0.018 0.000 2.479 374 N HA 0.442 5.183 4.740 0.001 0.000 0.285 374 N C -0.548 174.983 175.510 0.035 0.000 1.075 374 N CA -0.654 52.410 53.050 0.024 0.000 0.967 374 N CB 1.013 39.508 38.487 0.013 0.000 1.137 374 N HN 0.755 nan 8.380 nan 0.000 0.472 375 I N 3.098 123.696 120.570 0.046 0.000 2.312 375 I HA 0.115 4.286 4.170 0.001 0.000 0.291 375 I C 0.973 177.109 176.117 0.033 0.000 1.031 375 I CA 0.076 61.411 61.300 0.059 0.000 1.293 375 I CB 1.032 39.080 38.000 0.080 0.000 1.403 375 I HN 0.732 nan 8.210 nan 0.000 0.484 376 E N 4.629 124.844 120.200 0.024 0.000 2.166 376 E HA 0.158 4.508 4.350 0.001 0.000 0.192 376 E C -0.517 176.085 176.600 0.002 0.000 0.967 376 E CA 0.567 56.971 56.400 0.007 0.000 0.840 376 E CB 0.535 30.232 29.700 -0.004 0.000 0.795 376 E HN 0.352 nan 8.360 nan 0.000 0.470 377 L N 0.567 121.793 121.223 0.005 0.000 2.434 377 L HA 0.447 4.788 4.340 0.001 0.000 0.260 377 L C -1.159 175.708 176.870 -0.006 0.000 0.983 377 L CA -0.346 54.492 54.840 -0.003 0.000 0.820 377 L CB 2.350 44.404 42.059 -0.008 0.000 1.361 377 L HN -0.067 nan 8.230 nan 0.000 0.410 378 I N 0.760 121.317 120.570 -0.022 0.000 2.545 378 I HA 0.664 4.834 4.170 0.001 0.000 0.292 378 I C -0.451 175.634 176.117 -0.053 0.000 1.040 378 I CA -0.411 60.858 61.300 -0.052 0.000 1.068 378 I CB 2.144 40.104 38.000 -0.066 0.000 1.251 378 I HN 0.491 nan 8.210 nan 0.000 0.424 379 S N 2.982 118.639 115.700 -0.071 0.000 2.569 379 S HA 0.856 5.326 4.470 0.001 0.000 0.280 379 S C -0.753 173.796 174.600 -0.084 0.000 1.111 379 S CA -0.369 57.796 58.200 -0.058 0.000 0.887 379 S CB 1.950 65.130 63.200 -0.033 0.000 1.095 379 S HN 0.782 nan 8.310 nan 0.000 0.476 380 T N -0.215 114.299 114.554 -0.068 0.000 2.894 380 T HA 0.768 5.119 4.350 0.001 0.000 0.309 380 T C -0.396 174.272 174.700 -0.052 0.000 1.208 380 T CA -0.500 61.555 62.100 -0.074 0.000 1.016 380 T CB 1.274 70.094 68.868 -0.080 0.000 1.192 380 T HN 0.822 nan 8.240 nan 0.000 0.491 381 S N 0.425 116.095 115.700 -0.051 0.000 2.798 381 S HA 0.483 4.954 4.470 0.001 0.000 0.312 381 S C 0.994 175.568 174.600 -0.045 0.000 1.122 381 S CA -0.669 57.507 58.200 -0.041 0.000 0.949 381 S CB 1.384 64.564 63.200 -0.033 0.000 1.235 381 S HN 0.926 nan 8.310 nan 0.000 0.552 382 E N -0.449 119.727 120.200 -0.039 0.000 2.267 382 E HA -0.056 4.294 4.350 0.001 0.000 0.197 382 E C 0.636 177.208 176.600 -0.045 0.000 0.998 382 E CA 1.149 57.525 56.400 -0.040 0.000 0.830 382 E CB -0.170 29.508 29.700 -0.036 0.000 0.751 382 E HN 0.694 nan 8.360 nan 0.000 0.491 383 I N -0.375 120.168 120.570 -0.044 0.000 4.102 383 I HA 0.175 4.345 4.170 0.001 0.000 0.325 383 I C 0.211 176.298 176.117 -0.051 0.000 1.471 383 I CA -0.225 61.046 61.300 -0.048 0.000 1.133 383 I CB 0.813 38.790 38.000 -0.038 0.000 1.184 383 I HN -0.151 nan 8.210 nan 0.000 0.451 384 R N 1.820 122.287 120.500 -0.056 0.000 2.564 384 R HA 0.629 4.969 4.340 0.001 0.000 0.284 384 R C -1.624 174.616 176.300 -0.100 0.000 1.031 384 R CA -0.545 55.519 56.100 -0.060 0.000 0.904 384 R CB 1.973 32.251 30.300 -0.038 0.000 1.199 384 R HN 0.040 nan 8.270 nan 0.000 0.443 385 I N 2.489 122.971 120.570 -0.146 0.000 2.412 385 I HA 0.366 4.537 4.170 0.001 0.000 0.296 385 I C -0.322 175.647 176.117 -0.247 0.000 0.987 385 I CA -0.507 60.611 61.300 -0.303 0.000 1.180 385 I CB 2.183 39.806 38.000 -0.628 0.000 1.340 385 I HN 0.528 nan 8.210 nan 0.000 0.455 386 S N 4.244 119.819 115.700 -0.208 0.000 2.548 386 S HA 0.782 5.253 4.470 0.001 0.000 0.286 386 S C -0.768 173.788 174.600 -0.075 0.000 1.098 386 S CA -0.659 57.498 58.200 -0.073 0.000 0.930 386 S CB 2.577 65.766 63.200 -0.017 0.000 1.070 386 S HN 0.297 nan 8.310 nan 0.000 0.480 387 V N 2.456 122.402 119.914 0.053 0.000 2.971 387 V HA 0.484 4.605 4.120 0.001 0.000 0.309 387 V C -1.101 175.038 176.094 0.076 0.000 1.130 387 V CA -0.770 61.570 62.300 0.067 0.000 0.964 387 V CB 1.992 33.915 31.823 0.166 0.000 1.029 387 V HN 0.743 nan 8.190 nan 0.000 0.427 388 L N 5.417 126.666 121.223 0.043 0.000 2.289 388 L HA 0.697 5.037 4.340 0.001 0.000 0.285 388 L C -0.217 176.674 176.870 0.034 0.000 1.049 388 L CA -0.244 54.613 54.840 0.029 0.000 0.804 388 L CB 1.173 43.233 42.059 0.002 0.000 1.195 388 L HN 0.665 nan 8.230 nan 0.000 0.428 389 I N -0.826 119.762 120.570 0.029 0.000 3.466 389 I HA 0.621 4.792 4.170 0.001 0.000 0.311 389 I C -0.597 175.521 176.117 0.001 0.000 1.155 389 I CA -1.402 59.911 61.300 0.022 0.000 0.959 389 I CB 1.416 39.438 38.000 0.037 0.000 1.332 389 I HN 0.298 nan 8.210 nan 0.000 0.483 390 R N 1.663 122.161 120.500 -0.003 0.000 2.491 390 R HA 0.139 4.479 4.340 0.001 0.000 0.283 390 R C 0.861 177.155 176.300 -0.010 0.000 1.072 390 R CA -0.015 56.077 56.100 -0.014 0.000 1.048 390 R CB 0.106 30.397 30.300 -0.014 0.000 0.983 390 R HN 0.855 nan 8.270 nan 0.000 0.450 391 E N 1.655 121.845 120.200 -0.017 0.000 2.114 391 E HA -0.269 4.082 4.350 0.001 0.000 0.199 391 E C 0.344 176.938 176.600 -0.011 0.000 1.008 391 E CA 1.735 58.127 56.400 -0.013 0.000 0.810 391 E CB 0.229 29.918 29.700 -0.020 0.000 0.739 391 E HN 0.454 nan 8.360 nan 0.000 0.456 392 D N 0.363 120.755 120.400 -0.013 0.000 2.218 392 D HA -0.130 4.511 4.640 0.001 0.000 0.204 392 D C 1.002 177.296 176.300 -0.010 0.000 0.976 392 D CA 0.897 54.890 54.000 -0.012 0.000 0.853 392 D CB -0.152 40.640 40.800 -0.012 0.000 0.939 392 D HN 0.254 nan 8.370 nan 0.000 0.481 393 D N -0.179 120.216 120.400 -0.008 0.000 2.339 393 D HA -0.013 4.627 4.640 0.001 0.000 0.217 393 D C 1.998 178.295 176.300 -0.005 0.000 1.050 393 D CA -0.164 53.832 54.000 -0.007 0.000 0.856 393 D CB 0.285 41.083 40.800 -0.003 0.000 0.922 393 D HN 0.116 nan 8.370 nan 0.000 0.518 394 L N 1.182 122.403 121.223 -0.003 0.000 2.046 394 L HA -0.146 4.194 4.340 0.001 0.000 0.208 394 L C 1.449 178.316 176.870 -0.005 0.000 1.077 394 L CA 1.821 56.662 54.840 0.001 0.000 0.747 394 L CB -0.260 41.801 42.059 0.003 0.000 0.896 394 L HN -0.186 nan 8.230 nan 0.000 0.432 395 D N -0.464 119.929 120.400 -0.011 0.000 2.084 395 D HA -0.135 4.506 4.640 0.001 0.000 0.194 395 D C 2.220 178.508 176.300 -0.021 0.000 0.990 395 D CA 1.581 55.570 54.000 -0.018 0.000 0.826 395 D CB -0.314 40.473 40.800 -0.022 0.000 0.971 395 D HN 0.418 nan 8.370 nan 0.000 0.453 396 A N 0.985 123.793 122.820 -0.020 0.000 1.908 396 A HA -0.123 4.197 4.320 0.001 0.000 0.218 396 A C 2.300 179.868 177.584 -0.026 0.000 1.181 396 A CA 2.539 54.562 52.037 -0.022 0.000 0.627 396 A CB -0.870 18.118 19.000 -0.020 0.000 0.818 396 A HN 0.244 nan 8.150 nan 0.000 0.445 397 A N -0.223 122.581 122.820 -0.025 0.000 1.902 397 A HA 0.132 4.452 4.320 0.001 0.000 0.217 397 A C 2.501 180.058 177.584 -0.046 0.000 1.181 397 A CA 2.165 54.177 52.037 -0.041 0.000 0.623 397 A CB -1.008 17.978 19.000 -0.024 0.000 0.818 397 A HN 1.122 nan 8.150 nan 0.000 0.443 398 A N -0.624 122.185 122.820 -0.019 0.000 1.933 398 A HA -0.136 4.184 4.320 0.001 0.000 0.218 398 A C 2.217 179.812 177.584 0.018 0.000 1.175 398 A CA 1.852 53.890 52.037 0.002 0.000 0.628 398 A CB -0.376 18.625 19.000 0.001 0.000 0.814 398 A HN 0.482 nan 8.150 nan 0.000 0.444 399 R N -0.472 120.025 120.500 -0.005 0.000 2.066 399 R HA 0.039 4.379 4.340 0.001 0.000 0.232 399 R C 2.478 178.797 176.300 0.031 0.000 1.131 399 R CA 1.448 57.551 56.100 0.004 0.000 0.955 399 R CB -0.572 29.716 30.300 -0.020 0.000 0.851 399 R HN 0.473 nan 8.270 nan 0.000 0.432 400 A N 0.562 123.375 122.820 -0.012 0.000 1.883 400 A HA -0.180 4.140 4.320 0.001 0.000 0.217 400 A C 1.911 179.468 177.584 -0.045 0.000 1.186 400 A CA 1.340 53.352 52.037 -0.040 0.000 0.624 400 A CB -0.670 18.287 19.000 -0.072 0.000 0.822 400 A HN 0.180 nan 8.150 nan 0.000 0.444 401 L N -0.863 120.333 121.223 -0.044 0.000 2.042 401 L HA -0.172 4.169 4.340 0.001 0.000 0.210 401 L C 2.338 179.316 176.870 0.181 0.000 1.076 401 L CA 2.467 57.316 54.840 0.015 0.000 0.749 401 L CB -1.462 40.559 42.059 -0.062 0.000 0.893 401 L HN 0.691 nan 8.230 nan 0.000 0.432 402 H N -0.286 118.820 119.070 0.059 0.000 2.353 402 H HA -0.184 4.373 4.556 0.001 0.000 0.300 402 H C 2.196 177.565 175.328 0.069 0.000 1.090 402 H CA 2.045 58.142 56.048 0.082 0.000 1.327 402 H CB 0.266 30.054 29.762 0.043 0.000 1.383 402 H HN 0.572 nan 8.280 nan 0.000 0.508 403 E N -0.544 119.740 120.200 0.141 0.000 2.170 403 E HA -0.193 4.158 4.350 0.001 0.000 0.191 403 E C 2.236 178.805 176.600 -0.051 0.000 0.981 403 E CA 0.763 57.195 56.400 0.053 0.000 0.830 403 E CB -0.115 29.616 29.700 0.053 0.000 0.775 403 E HN 0.406 nan 8.360 nan 0.000 0.470 404 Q N 0.727 120.453 119.800 -0.124 0.000 1.985 404 Q HA -0.113 4.228 4.340 0.001 0.000 0.207 404 Q C -0.101 175.651 176.000 -0.414 0.000 0.996 404 Q CA 1.499 57.109 55.803 -0.322 0.000 0.851 404 Q CB -0.410 28.029 28.738 -0.498 0.000 0.921 404 Q HN 0.311 nan 8.270 nan 0.000 0.418 405 F N 0.197 120.111 119.950 -0.060 0.000 2.399 405 F HA 0.277 4.804 4.527 0.001 0.000 0.313 405 F C 0.708 176.444 175.800 -0.106 0.000 1.202 405 F CA -0.490 57.470 58.000 -0.066 0.000 1.192 405 F CB 0.360 39.325 39.000 -0.058 0.000 1.256 405 F HN -0.014 nan 8.300 nan 0.000 0.558 406 Q N 1.369 121.213 119.800 0.073 0.000 2.640 406 Q HA 0.328 4.669 4.340 0.001 0.000 0.389 406 Q C -1.239 174.713 176.000 -0.079 0.000 1.012 406 Q CA -0.276 55.517 55.803 -0.016 0.000 1.060 406 Q CB -0.352 28.387 28.738 0.001 0.000 1.332 406 Q HN 0.333 nan 8.270 nan 0.000 0.418 407 L N -0.013 121.066 121.223 -0.241 0.000 2.426 407 L HA 0.470 4.811 4.340 0.001 0.000 0.271 407 L C 1.306 178.041 176.870 -0.225 0.000 1.169 407 L CA 1.016 55.637 54.840 -0.365 0.000 0.836 407 L CB -0.058 41.574 42.059 -0.712 0.000 1.112 407 L HN 0.523 nan 8.230 nan 0.000 0.465 408 G N 0.000 108.802 108.800 0.003 0.000 5.446 408 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 408 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 408 G CA 0.000 45.184 45.100 0.139 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925