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 2pg8_1_C DATA FIRST_RESID 12 DATA SEQUENCE DGLWAALTEA AASVEKLLAT LPEHGARSSA ERAEIAAAHD AARALRVRFL DATA SEQUENCE DTHADAVYDR LTDHRRVHLR LAELVEAAAT AFPGLVPTQQ QLAVERSLPQ DATA SEQUENCE AAKEGHEIDQ GIFLRAVLRS PLAGPHLLDA MLRPTPRALE LLPEFVRTGE DATA SEQUENCE VEMEAVHLER RDGVARLTMC RDDRLNAEDG QQVDDMETAV DLALLDPGVR DATA SEQUENCE VGLLRGGVMS HPRYRGKRVF SAGINLKYLS QGGISLVDFL MRKELGYIHK DATA SEQUENCE LVRGVLTNDD RPGWWHSPRI EKPWVAAVDG FAIGGGAQLL LVFDRVLASS DATA SEQUENCE DAYFSLPAAK EGIIPGAANL RLGRFAGPRV SRQVILEGRR IWAKEPEARL DATA SEQUENCE LVDEVVEPDE LDAAIERSLT RLDGDAVLAN RRMLNLADES PDGFRAYMAE DATA SEQUENCE FALMQALRLY GHDVI 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.390 176.300 0.151 0.000 2.045 12 D CA 0.000 54.094 54.000 0.156 0.000 0.868 12 D CB 0.000 40.933 40.800 0.222 0.000 0.688 13 G N 1.921 110.814 108.800 0.154 0.000 2.449 13 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.304 13 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.304 13 G C 0.950 175.924 174.900 0.123 0.000 0.962 13 G CA 1.214 46.391 45.100 0.127 0.000 0.943 13 G HN 0.440 nan 8.290 nan 0.000 0.514 14 L N -1.468 119.874 121.223 0.197 0.000 2.131 14 L HA 0.067 4.407 4.340 -0.000 0.000 0.206 14 L C 2.674 179.569 176.870 0.042 0.000 1.087 14 L CA 1.049 55.990 54.840 0.169 0.000 0.767 14 L CB -0.271 41.982 42.059 0.324 0.000 0.917 14 L HN 0.672 nan 8.230 nan 0.000 0.441 15 W N 1.247 122.464 121.300 -0.139 0.000 2.248 15 W HA -0.378 4.282 4.660 -0.000 0.000 0.328 15 W C 2.386 178.775 176.519 -0.217 0.000 1.251 15 W CA 2.122 59.243 57.345 -0.373 0.000 1.178 15 W CB -0.418 28.875 29.460 -0.279 0.000 1.167 15 W HN 0.191 nan 8.180 nan 0.000 0.460 16 A N 1.071 123.675 122.820 -0.361 0.000 1.958 16 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 16 A C 2.145 179.520 177.584 -0.348 0.000 1.178 16 A CA 3.401 55.203 52.037 -0.392 0.000 0.642 16 A CB -1.494 17.456 19.000 -0.083 0.000 0.816 16 A HN 0.556 nan 8.150 nan 0.000 0.453 17 A N -0.366 122.321 122.820 -0.222 0.000 1.869 17 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 17 A C 2.142 179.585 177.584 -0.235 0.000 1.203 17 A CA 2.043 53.985 52.037 -0.160 0.000 0.638 17 A CB -0.858 18.095 19.000 -0.079 0.000 0.831 17 A HN 0.923 nan 8.150 nan 0.000 0.450 18 L N 0.026 121.053 121.223 -0.326 0.000 2.043 18 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 18 L C 2.451 179.049 176.870 -0.454 0.000 1.075 18 L CA 2.964 57.585 54.840 -0.366 0.000 0.752 18 L CB -1.370 40.403 42.059 -0.478 0.000 0.891 18 L HN 0.455 nan 8.230 nan 0.000 0.432 19 T N -0.786 113.365 114.554 -0.672 0.000 2.684 19 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 19 T C 1.769 176.296 174.700 -0.289 0.000 1.036 19 T CA 1.698 63.465 62.100 -0.554 0.000 1.148 19 T CB -0.268 68.237 68.868 -0.604 0.000 0.863 19 T HN 0.505 nan 8.240 nan 0.000 0.436 20 E N 0.749 120.812 120.200 -0.228 0.000 2.153 20 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 20 E C 2.385 178.908 176.600 -0.128 0.000 0.988 20 E CA 0.820 57.134 56.400 -0.143 0.000 0.811 20 E CB -0.191 29.443 29.700 -0.111 0.000 0.746 20 E HN 0.488 nan 8.360 nan 0.000 0.466 21 A N 1.246 123.979 122.820 -0.145 0.000 1.865 21 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 21 A C 2.379 179.904 177.584 -0.099 0.000 1.191 21 A CA 1.955 53.925 52.037 -0.111 0.000 0.623 21 A CB -0.814 18.120 19.000 -0.109 0.000 0.826 21 A HN 0.392 nan 8.150 nan 0.000 0.444 22 A N -0.669 122.079 122.820 -0.121 0.000 2.119 22 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 22 A C 2.326 179.863 177.584 -0.077 0.000 1.153 22 A CA 1.633 53.620 52.037 -0.085 0.000 0.692 22 A CB -0.772 18.165 19.000 -0.105 0.000 0.799 22 A HN 0.921 nan 8.150 nan 0.000 0.458 23 A N 0.227 122.990 122.820 -0.096 0.000 1.824 23 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 23 A C 2.427 179.970 177.584 -0.067 0.000 1.209 23 A CA 2.073 54.063 52.037 -0.077 0.000 0.614 23 A CB -1.269 17.681 19.000 -0.084 0.000 0.852 23 A HN 0.526 nan 8.150 nan 0.000 0.447 24 S N -0.026 115.630 115.700 -0.073 0.000 2.378 24 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 24 S C 1.844 176.393 174.600 -0.086 0.000 1.052 24 S CA 1.859 60.014 58.200 -0.074 0.000 1.084 24 S CB -1.144 62.009 63.200 -0.079 0.000 0.950 24 S HN 0.361 nan 8.310 nan 0.000 0.440 25 V N 2.106 121.960 119.914 -0.099 0.000 2.324 25 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 25 V C 2.514 178.571 176.094 -0.062 0.000 1.060 25 V CA 1.966 64.191 62.300 -0.124 0.000 1.042 25 V CB -0.804 30.963 31.823 -0.093 0.000 0.650 25 V HN 0.499 nan 8.190 nan 0.000 0.450 26 E N 0.232 120.411 120.200 -0.035 0.000 2.118 26 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 26 E C 2.477 179.064 176.600 -0.021 0.000 0.992 26 E CA 1.780 58.171 56.400 -0.016 0.000 0.804 26 E CB -0.220 29.465 29.700 -0.025 0.000 0.741 26 E HN 0.741 nan 8.360 nan 0.000 0.458 27 K N 1.046 121.424 120.400 -0.037 0.000 1.965 27 K HA -0.155 4.165 4.320 -0.000 0.000 0.218 27 K C 1.886 178.465 176.600 -0.035 0.000 1.048 27 K CA 1.640 57.907 56.287 -0.035 0.000 0.960 27 K CB -1.332 31.143 32.500 -0.041 0.000 0.732 27 K HN -0.041 nan 8.250 nan 0.000 0.444 28 L N 1.310 122.502 121.223 -0.052 0.000 2.651 28 L HA -0.002 4.338 4.340 -0.000 0.000 0.236 28 L C 2.779 179.625 176.870 -0.040 0.000 1.173 28 L CA 1.377 56.185 54.840 -0.054 0.000 0.843 28 L CB -1.305 40.704 42.059 -0.082 0.000 0.964 28 L HN 0.435 nan 8.230 nan 0.000 0.454 29 L N -2.435 118.774 121.223 -0.024 0.000 2.552 29 L HA 0.387 4.727 4.340 -0.000 0.000 0.227 29 L C 2.281 179.158 176.870 0.012 0.000 1.146 29 L CA 1.702 56.547 54.840 0.007 0.000 0.858 29 L CB -1.406 nan 42.059 nan 0.000 0.969 29 L HN 0.391 nan 8.230 nan 0.000 0.451 30 A N -1.472 121.348 122.820 0.000 0.000 1.971 30 A HA 0.175 4.495 4.320 -0.000 0.000 0.200 30 A C 2.431 180.015 177.584 -0.001 0.000 1.658 30 A CA 1.481 53.520 52.037 0.003 0.000 0.962 30 A CB -0.784 18.216 19.000 0.001 0.000 1.053 30 A HN 0.719 nan 8.150 nan 0.000 0.533 31 T N -0.325 114.225 114.554 -0.008 0.000 2.620 31 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 31 T C 0.923 175.619 174.700 -0.006 0.000 1.044 31 T CA 1.452 63.547 62.100 -0.009 0.000 1.161 31 T CB -0.911 67.948 68.868 -0.016 0.000 0.862 31 T HN 0.065 nan 8.240 nan 0.000 0.438 32 L N 3.191 124.408 121.223 -0.009 0.000 2.479 32 L HA 0.352 4.692 4.340 -0.000 0.000 0.270 32 L C -1.502 175.372 176.870 0.007 0.000 1.236 32 L CA -1.646 53.192 54.840 -0.004 0.000 0.823 32 L CB -0.437 41.615 42.059 -0.012 0.000 1.098 32 L HN 0.337 nan 8.230 nan 0.000 0.500 33 P HA 0.188 nan 4.420 nan 0.000 0.280 33 P C -0.869 176.454 177.300 0.039 0.000 1.272 33 P CA -0.835 62.279 63.100 0.023 0.000 0.819 33 P CB 0.660 32.373 31.700 0.021 0.000 1.122 34 E N -0.414 119.812 120.200 0.043 0.000 2.565 34 E HA -0.156 4.194 4.350 -0.000 0.000 0.268 34 E C 0.595 177.262 176.600 0.112 0.000 1.000 34 E CA 0.594 57.031 56.400 0.062 0.000 0.964 34 E CB -0.106 29.618 29.700 0.040 0.000 0.955 34 E HN 0.526 nan 8.360 nan 0.000 0.459 35 H N 0.484 119.558 119.070 0.006 0.000 2.975 35 H HA 0.139 4.695 4.556 0.000 0.000 0.303 35 H C 0.948 176.284 175.328 0.013 0.000 1.023 35 H CA 0.395 56.447 56.048 0.008 0.000 1.473 35 H CB 0.141 29.904 29.762 0.001 0.000 1.498 35 H HN 0.720 nan 8.280 nan 0.000 0.549 36 G N 2.602 111.567 108.800 0.274 0.000 2.367 36 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.181 36 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.181 36 G C 0.425 175.370 174.900 0.075 0.000 1.000 36 G CA -0.032 45.116 45.100 0.080 0.000 0.693 36 G HN 0.879 nan 8.290 nan 0.000 0.480 37 A N 0.254 123.125 122.820 0.085 0.000 2.624 37 A HA 0.677 4.997 4.320 -0.000 0.000 0.287 37 A C 0.836 178.450 177.584 0.049 0.000 1.087 37 A CA 0.019 52.088 52.037 0.053 0.000 0.964 37 A CB 0.289 nan 19.000 nan 0.000 1.231 37 A HN 0.339 nan 8.150 nan 0.000 0.551 38 R N 0.090 120.628 120.500 0.064 0.000 2.553 38 R HA 0.636 4.976 4.340 -0.000 0.000 0.263 38 R C -0.089 176.230 176.300 0.032 0.000 1.066 38 R CA 0.168 56.291 56.100 0.038 0.000 1.135 38 R CB 1.003 31.320 30.300 0.029 0.000 1.148 38 R HN 0.271 nan 8.270 nan 0.000 0.558 39 S N -0.237 115.473 115.700 0.017 0.000 2.737 39 S HA 0.234 4.704 4.470 -0.000 0.000 0.269 39 S C 0.140 174.743 174.600 0.005 0.000 1.150 39 S CA 0.075 58.282 58.200 0.013 0.000 1.077 39 S CB 1.222 64.429 63.200 0.011 0.000 1.075 39 S HN 0.784 nan 8.310 nan 0.000 0.476 40 S N 2.986 118.689 115.700 0.004 0.000 2.361 40 S HA -0.259 4.211 4.470 -0.000 0.000 0.247 40 S C 1.066 175.665 174.600 -0.002 0.000 1.218 40 S CA 1.830 60.032 58.200 0.003 0.000 1.502 40 S CB -1.705 61.497 63.200 0.004 0.000 1.893 40 S HN 2.121 nan 8.310 nan 0.000 0.610 41 A N -0.147 122.670 122.820 -0.005 0.000 2.390 41 A HA 0.463 4.783 4.320 -0.000 0.000 0.225 41 A C 1.322 178.898 177.584 -0.014 0.000 1.232 41 A CA 0.709 52.740 52.037 -0.010 0.000 0.964 41 A CB 0.016 19.010 19.000 -0.010 0.000 1.064 41 A HN 0.678 nan 8.150 nan 0.000 0.525 42 E N 0.838 121.032 120.200 -0.011 0.000 2.005 42 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 42 E C 2.076 178.662 176.600 -0.024 0.000 1.010 42 E CA 1.498 57.889 56.400 -0.014 0.000 0.825 42 E CB -0.218 29.479 29.700 -0.004 0.000 0.769 42 E HN 0.504 nan 8.360 nan 0.000 0.456 43 R N 0.551 121.040 120.500 -0.018 0.000 2.075 43 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 43 R C 2.511 178.796 176.300 -0.026 0.000 1.140 43 R CA 1.102 57.185 56.100 -0.028 0.000 0.928 43 R CB -0.605 29.687 30.300 -0.013 0.000 0.834 43 R HN 0.157 nan 8.270 nan 0.000 0.429 44 A N 1.136 123.948 122.820 -0.013 0.000 2.054 44 A HA -0.300 4.020 4.320 -0.000 0.000 0.223 44 A C 2.008 179.579 177.584 -0.023 0.000 1.169 44 A CA 2.026 54.056 52.037 -0.012 0.000 0.655 44 A CB -0.508 18.487 19.000 -0.008 0.000 0.812 44 A HN 0.523 nan 8.150 nan 0.000 0.462 45 E N -0.991 119.188 120.200 -0.035 0.000 2.086 45 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 45 E C 1.828 178.378 176.600 -0.082 0.000 0.975 45 E CA 0.843 57.213 56.400 -0.050 0.000 0.813 45 E CB -0.180 29.492 29.700 -0.047 0.000 0.768 45 E HN 0.522 nan 8.360 nan 0.000 0.457 46 I N 1.231 121.742 120.570 -0.098 0.000 2.179 46 I HA -0.178 3.991 4.170 -0.000 0.000 0.242 46 I C 2.142 178.161 176.117 -0.164 0.000 1.088 46 I CA 1.760 62.951 61.300 -0.181 0.000 1.357 46 I CB -0.508 37.405 38.000 -0.144 0.000 1.051 46 I HN 0.165 nan 8.210 nan 0.000 0.409 47 A N 0.697 123.500 122.820 -0.027 0.000 1.892 47 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 47 A C 2.522 180.122 177.584 0.027 0.000 1.188 47 A CA 2.301 54.368 52.037 0.050 0.000 0.631 47 A CB -1.501 17.513 19.000 0.025 0.000 0.822 47 A HN 0.600 nan 8.150 nan 0.000 0.447 48 A N -0.325 122.487 122.820 -0.015 0.000 1.902 48 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 48 A C 2.512 180.080 177.584 -0.028 0.000 1.181 48 A CA 2.115 54.143 52.037 -0.015 0.000 0.623 48 A CB -1.095 17.891 19.000 -0.024 0.000 0.818 48 A HN 1.094 nan 8.150 nan 0.000 0.443 49 A N -0.479 122.293 122.820 -0.081 0.000 1.842 49 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 49 A C 2.053 179.595 177.584 -0.071 0.000 1.206 49 A CA 1.873 53.837 52.037 -0.121 0.000 0.630 49 A CB -1.249 17.610 19.000 -0.235 0.000 0.839 49 A HN 0.629 nan 8.150 nan 0.000 0.447 50 H N -0.566 118.480 119.070 -0.040 0.000 2.292 50 H HA -0.220 4.336 4.556 0.000 0.000 0.292 50 H C 1.987 177.298 175.328 -0.029 0.000 1.100 50 H CA 2.228 58.253 56.048 -0.038 0.000 1.238 50 H CB -0.810 28.916 29.762 -0.061 0.000 1.355 50 H HN 0.671 nan 8.280 nan 0.000 0.484 51 D N -0.073 120.393 120.400 0.111 0.000 2.116 51 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 51 D C 2.225 178.544 176.300 0.031 0.000 0.998 51 D CA 1.654 55.686 54.000 0.052 0.000 0.836 51 D CB -0.151 40.668 40.800 0.032 0.000 0.951 51 D HN 0.391 nan 8.370 nan 0.000 0.449 52 A N -0.081 122.748 122.820 0.016 0.000 2.015 52 A HA 0.103 4.423 4.320 -0.000 0.000 0.219 52 A C 2.184 179.768 177.584 0.000 0.000 1.163 52 A CA 1.794 53.831 52.037 0.000 0.000 0.646 52 A CB -0.626 18.364 19.000 -0.017 0.000 0.806 52 A HN 0.315 nan 8.150 nan 0.000 0.448 53 A N -0.091 122.736 122.820 0.012 0.000 1.855 53 A HA -0.026 4.294 4.320 -0.000 0.000 0.213 53 A C 2.215 179.817 177.584 0.031 0.000 1.195 53 A CA 1.236 53.279 52.037 0.010 0.000 0.610 53 A CB -0.388 18.631 19.000 0.032 0.000 0.837 53 A HN 0.480 nan 8.150 nan 0.000 0.444 54 R N -0.282 120.249 120.500 0.051 0.000 2.096 54 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 54 R C 2.423 178.751 176.300 0.045 0.000 1.127 54 R CA 1.159 57.289 56.100 0.050 0.000 0.968 54 R CB -0.467 29.857 30.300 0.039 0.000 0.861 54 R HN 0.502 nan 8.270 nan 0.000 0.440 55 A N 1.048 123.889 122.820 0.034 0.000 1.908 55 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 55 A C 2.115 179.723 177.584 0.040 0.000 1.181 55 A CA 1.291 53.346 52.037 0.030 0.000 0.627 55 A CB -0.503 18.509 19.000 0.019 0.000 0.818 55 A HN 0.216 nan 8.150 nan 0.000 0.445 56 L N -1.298 119.947 121.223 0.036 0.000 2.156 56 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 56 L C 2.810 179.743 176.870 0.104 0.000 1.095 56 L CA 0.760 55.628 54.840 0.046 0.000 0.770 56 L CB -0.373 41.684 42.059 -0.005 0.000 0.914 56 L HN 0.363 nan 8.230 nan 0.000 0.439 57 R N -0.544 120.017 120.500 0.102 0.000 2.105 57 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 57 R C 2.147 178.565 176.300 0.197 0.000 1.135 57 R CA 1.361 57.566 56.100 0.174 0.000 0.967 57 R CB -0.604 29.779 30.300 0.137 0.000 0.861 57 R HN 0.235 nan 8.270 nan 0.000 0.442 58 V N 0.997 120.983 119.914 0.119 0.000 2.244 58 V HA -0.245 3.875 4.120 -0.000 0.000 0.244 58 V C 2.324 178.463 176.094 0.075 0.000 1.042 58 V CA 1.744 64.092 62.300 0.080 0.000 1.006 58 V CB -0.543 31.305 31.823 0.042 0.000 0.641 58 V HN 0.296 nan 8.190 nan 0.000 0.446 59 R N -0.725 119.824 120.500 0.083 0.000 2.117 59 R HA -0.218 4.122 4.340 -0.000 0.000 0.243 59 R C 2.207 178.570 176.300 0.106 0.000 1.143 59 R CA 2.055 58.196 56.100 0.069 0.000 0.968 59 R CB -0.593 29.749 30.300 0.070 0.000 0.863 59 R HN 0.534 nan 8.270 nan 0.000 0.444 60 F N 1.324 121.298 119.950 0.040 0.000 2.102 60 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 60 F C 1.779 177.618 175.800 0.065 0.000 1.105 60 F CA 1.383 59.443 58.000 0.099 0.000 1.239 60 F CB -0.383 38.748 39.000 0.218 0.000 0.991 60 F HN -0.110 nan 8.300 nan 0.000 0.474 61 L N -0.109 121.022 121.223 -0.152 0.000 2.156 61 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 61 L C 2.106 178.848 176.870 -0.214 0.000 1.095 61 L CA 1.186 55.861 54.840 -0.275 0.000 0.770 61 L CB -0.829 41.181 42.059 -0.083 0.000 0.914 61 L HN 0.080 nan 8.230 nan 0.000 0.439 62 D N -0.224 120.094 120.400 -0.136 0.000 2.265 62 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 62 D C 1.794 177.995 176.300 -0.165 0.000 0.977 62 D CA 1.995 55.921 54.000 -0.123 0.000 0.871 62 D CB 0.142 40.896 40.800 -0.078 0.000 0.925 62 D HN 0.466 nan 8.370 nan 0.000 0.485 63 T N -3.852 110.542 114.554 -0.266 0.000 2.985 63 T HA 0.120 4.470 4.350 -0.000 0.000 0.254 63 T C 1.087 175.554 174.700 -0.388 0.000 1.021 63 T CA -0.086 61.809 62.100 -0.342 0.000 0.957 63 T CB 0.047 68.648 68.868 -0.446 0.000 1.047 63 T HN 0.240 nan 8.240 nan 0.000 0.511 64 H N -0.131 118.780 119.070 -0.266 0.000 2.916 64 H HA 0.648 5.204 4.556 -0.000 0.000 0.262 64 H C 2.053 177.166 175.328 -0.358 0.000 1.178 64 H CA -0.109 55.738 56.048 -0.336 0.000 1.090 64 H CB 0.562 29.999 29.762 -0.542 0.000 1.657 64 H HN 0.342 nan 8.280 nan 0.000 0.601 65 A N 1.113 123.812 122.820 -0.202 0.000 1.851 65 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 65 A C 1.886 179.417 177.584 -0.089 0.000 1.195 65 A CA 2.011 53.943 52.037 -0.174 0.000 0.622 65 A CB -0.359 18.525 19.000 -0.192 0.000 0.831 65 A HN 0.327 nan 8.150 nan 0.000 0.444 66 D N 0.007 120.363 120.400 -0.074 0.000 2.158 66 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 66 D C 2.218 178.511 176.300 -0.012 0.000 0.995 66 D CA 1.608 55.590 54.000 -0.029 0.000 0.846 66 D CB -0.360 40.416 40.800 -0.039 0.000 0.941 66 D HN 0.462 nan 8.370 nan 0.000 0.456 67 A N 0.940 123.744 122.820 -0.027 0.000 1.835 67 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 67 A C 2.631 180.197 177.584 -0.030 0.000 1.199 67 A CA 1.519 53.533 52.037 -0.037 0.000 0.615 67 A CB -0.980 18.012 19.000 -0.014 0.000 0.838 67 A HN 0.123 nan 8.150 nan 0.000 0.444 68 V N -1.291 118.583 119.914 -0.066 0.000 2.317 68 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 68 V C 2.391 178.482 176.094 -0.006 0.000 1.065 68 V CA 2.508 64.712 62.300 -0.161 0.000 1.049 68 V CB -1.079 30.522 31.823 -0.370 0.000 0.651 68 V HN 0.677 nan 8.190 nan 0.000 0.450 69 Y N 0.931 121.184 120.300 -0.079 0.000 2.200 69 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 69 Y C 2.481 178.334 175.900 -0.078 0.000 1.137 69 Y CA 1.858 59.932 58.100 -0.043 0.000 1.163 69 Y CB -0.317 38.089 38.460 -0.090 0.000 0.988 69 Y HN 0.300 nan 8.280 nan 0.000 0.518 70 D N -0.222 120.121 120.400 -0.095 0.000 2.123 70 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 70 D C 2.227 178.369 176.300 -0.264 0.000 0.992 70 D CA 1.259 55.069 54.000 -0.316 0.000 0.833 70 D CB -0.290 40.148 40.800 -0.604 0.000 0.954 70 D HN 0.338 nan 8.370 nan 0.000 0.455 71 R N 0.372 120.803 120.500 -0.115 0.000 2.115 71 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 71 R C 2.381 178.684 176.300 0.006 0.000 1.111 71 R CA 0.482 56.581 56.100 -0.003 0.000 0.976 71 R CB -0.128 30.249 30.300 0.127 0.000 0.870 71 R HN 0.177 nan 8.270 nan 0.000 0.445 72 L N -0.075 121.135 121.223 -0.022 0.000 2.291 72 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 72 L C 1.398 178.197 176.870 -0.118 0.000 1.120 72 L CA 1.390 56.209 54.840 -0.034 0.000 0.799 72 L CB 0.091 42.139 42.059 -0.019 0.000 0.925 72 L HN 0.305 nan 8.230 nan 0.000 0.446 73 T N -5.377 109.042 114.554 -0.224 0.000 3.380 73 T HA 0.153 4.503 4.350 -0.000 0.000 0.289 73 T C 0.291 174.933 174.700 -0.097 0.000 1.012 73 T CA -0.348 61.639 62.100 -0.188 0.000 0.944 73 T CB -0.122 68.531 68.868 -0.358 0.000 1.172 73 T HN 0.187 nan 8.240 nan 0.000 0.502 74 D N 2.343 122.726 120.400 -0.028 0.000 2.692 74 D HA -0.261 4.379 4.640 -0.000 0.000 0.233 74 D C -0.514 175.886 176.300 0.167 0.000 1.172 74 D CA 1.058 55.107 54.000 0.083 0.000 0.636 74 D CB -2.006 38.823 40.800 0.048 0.000 1.028 74 D HN 0.871 nan 8.370 nan 0.000 0.419 75 H N -0.968 118.055 119.070 -0.077 0.000 2.935 75 H HA -0.178 4.378 4.556 -0.000 0.000 0.341 75 H C 0.335 175.594 175.328 -0.116 0.000 1.161 75 H CA 0.943 56.950 56.048 -0.067 0.000 1.135 75 H CB -1.145 28.596 29.762 -0.034 0.000 1.605 75 H HN 0.460 nan 8.280 nan 0.000 0.409 76 R N -0.368 120.021 120.500 -0.185 0.000 3.266 76 R HA -0.304 4.036 4.340 -0.000 0.000 0.245 76 R C 1.415 177.612 176.300 -0.172 0.000 0.941 76 R CA 1.305 57.118 56.100 -0.479 0.000 0.638 76 R CB -0.709 29.389 30.300 -0.337 0.000 1.019 76 R HN 0.669 nan 8.270 nan 0.000 0.462 77 R N -0.030 120.433 120.500 -0.061 0.000 2.419 77 R HA 0.164 4.504 4.340 -0.000 0.000 0.235 77 R C -0.486 175.807 176.300 -0.012 0.000 0.899 77 R CA 0.207 56.304 56.100 -0.004 0.000 1.048 77 R CB 1.187 31.493 30.300 0.011 0.000 1.182 77 R HN 0.059 nan 8.270 nan 0.000 0.544 78 V N 2.388 122.316 119.914 0.024 0.000 2.482 78 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 78 V C -0.907 175.265 176.094 0.130 0.000 1.026 78 V CA -1.047 61.271 62.300 0.031 0.000 0.856 78 V CB 1.325 33.169 31.823 0.035 0.000 1.001 78 V HN 0.211 nan 8.190 nan 0.000 0.424 79 H N 5.516 124.670 119.070 0.139 0.000 2.899 79 H HA 0.450 5.006 4.556 0.000 0.000 0.303 79 H C -0.437 174.930 175.328 0.065 0.000 1.042 79 H CA 0.173 56.240 56.048 0.032 0.000 1.479 79 H CB 0.949 30.683 29.762 -0.047 0.000 1.493 79 H HN 0.433 nan 8.280 nan 0.000 0.534 80 L N 4.340 125.700 121.223 0.227 0.000 2.356 80 L HA 0.403 4.743 4.340 -0.000 0.000 0.277 80 L C 0.748 177.711 176.870 0.155 0.000 0.996 80 L CA -0.668 54.270 54.840 0.163 0.000 0.822 80 L CB 1.906 44.048 42.059 0.138 0.000 1.256 80 L HN 0.404 nan 8.230 nan 0.000 0.413 81 R N 1.640 122.213 120.500 0.121 0.000 2.707 81 R HA 0.211 4.551 4.340 -0.000 0.000 0.270 81 R C 1.221 177.600 176.300 0.132 0.000 1.083 81 R CA -0.409 55.758 56.100 0.111 0.000 1.182 81 R CB 0.614 30.967 30.300 0.088 0.000 1.084 81 R HN 0.589 nan 8.270 nan 0.000 0.528 82 L N 1.213 122.513 121.223 0.129 0.000 1.991 82 L HA -0.366 3.974 4.340 -0.000 0.000 0.221 82 L C 2.527 179.483 176.870 0.145 0.000 1.079 82 L CA 2.022 56.950 54.840 0.145 0.000 0.778 82 L CB -0.800 41.335 42.059 0.127 0.000 0.893 82 L HN 0.858 nan 8.230 nan 0.000 0.437 83 A N -0.234 122.657 122.820 0.119 0.000 1.859 83 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 83 A C 2.065 179.711 177.584 0.102 0.000 1.198 83 A CA 2.119 54.220 52.037 0.106 0.000 0.629 83 A CB -0.658 18.396 19.000 0.090 0.000 0.830 83 A HN 0.415 nan 8.150 nan 0.000 0.446 84 E N -0.516 119.743 120.200 0.098 0.000 2.048 84 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 84 E C 1.906 178.569 176.600 0.105 0.000 1.021 84 E CA 1.417 57.871 56.400 0.091 0.000 0.825 84 E CB -0.608 29.145 29.700 0.090 0.000 0.756 84 E HN 0.504 nan 8.360 nan 0.000 0.454 85 L N 0.437 121.747 121.223 0.145 0.000 2.013 85 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 85 L C 2.332 179.316 176.870 0.189 0.000 1.073 85 L CA 1.902 56.859 54.840 0.194 0.000 0.753 85 L CB -0.614 41.620 42.059 0.292 0.000 0.890 85 L HN 0.230 nan 8.230 nan 0.000 0.432 86 V N -2.978 117.042 119.914 0.177 0.000 2.515 86 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 86 V C 2.384 178.483 176.094 0.009 0.000 1.058 86 V CA 1.719 64.067 62.300 0.081 0.000 1.064 86 V CB -1.027 30.868 31.823 0.119 0.000 0.675 86 V HN 0.586 nan 8.190 nan 0.000 0.461 87 E N 1.668 121.896 120.200 0.046 0.000 2.015 87 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 87 E C 2.218 178.834 176.600 0.027 0.000 0.991 87 E CA 1.834 58.254 56.400 0.032 0.000 0.802 87 E CB -0.755 28.971 29.700 0.044 0.000 0.759 87 E HN 0.602 nan 8.360 nan 0.000 0.447 88 A N 1.009 123.855 122.820 0.044 0.000 1.958 88 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 88 A C 2.451 180.073 177.584 0.063 0.000 1.178 88 A CA 2.471 54.538 52.037 0.051 0.000 0.642 88 A CB -1.230 17.806 19.000 0.060 0.000 0.816 88 A HN 0.446 nan 8.150 nan 0.000 0.453 89 A N -0.334 122.495 122.820 0.015 0.000 1.902 89 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 89 A C 2.540 180.141 177.584 0.029 0.000 1.181 89 A CA 2.219 54.224 52.037 -0.053 0.000 0.623 89 A CB -1.100 17.592 19.000 -0.513 0.000 0.818 89 A HN 1.144 nan 8.150 nan 0.000 0.443 90 A N -0.178 122.632 122.820 -0.017 0.000 1.865 90 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 90 A C 2.484 180.099 177.584 0.052 0.000 1.191 90 A CA 2.883 54.929 52.037 0.015 0.000 0.623 90 A CB -1.532 17.464 19.000 -0.007 0.000 0.826 90 A HN 0.845 nan 8.150 nan 0.000 0.444 91 T N -2.885 111.690 114.554 0.035 0.000 2.951 91 T HA 0.255 4.605 4.350 -0.000 0.000 0.268 91 T C 1.629 176.322 174.700 -0.012 0.000 1.073 91 T CA 1.401 63.510 62.100 0.015 0.000 1.134 91 T CB -0.227 68.643 68.868 0.004 0.000 0.884 91 T HN 0.572 nan 8.240 nan 0.000 0.479 92 A N -0.001 122.825 122.820 0.011 0.000 2.195 92 A HA 0.546 4.866 4.320 -0.000 0.000 0.210 92 A C 0.576 177.878 177.584 -0.469 0.000 1.165 92 A CA -0.171 51.766 52.037 -0.166 0.000 0.806 92 A CB -0.165 18.802 19.000 -0.055 0.000 0.847 92 A HN 0.542 nan 8.150 nan 0.000 0.482 93 F N 0.518 120.458 119.950 -0.017 0.000 2.664 93 F HA 0.242 4.769 4.527 0.000 0.000 0.353 93 F C -2.534 173.428 175.800 0.271 0.000 1.498 93 F CA -2.064 55.975 58.000 0.065 0.000 1.109 93 F CB 1.182 40.227 39.000 0.075 0.000 1.728 93 F HN -0.026 nan 8.300 nan 0.000 0.580 94 P HA 0.089 nan 4.420 nan 0.000 0.261 94 P C 0.911 178.348 177.300 0.228 0.000 1.173 94 P CA 1.688 64.914 63.100 0.209 0.000 0.760 94 P CB 1.209 32.989 31.700 0.132 0.000 0.783 95 G N 2.297 111.157 108.800 0.099 0.000 2.313 95 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.215 95 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.215 95 G C 0.621 175.546 174.900 0.040 0.000 1.023 95 G CA 0.222 45.325 45.100 0.006 0.000 0.626 95 G HN 0.528 nan 8.290 nan 0.000 0.503 96 L N 1.342 122.668 121.223 0.172 0.000 2.005 96 L HA 0.504 4.844 4.340 -0.000 0.000 0.207 96 L C 1.386 178.290 176.870 0.057 0.000 1.072 96 L CA 2.610 57.560 54.840 0.182 0.000 0.744 96 L CB 0.024 42.259 42.059 0.293 0.000 0.895 96 L HN 1.143 nan 8.230 nan 0.000 0.433 97 V N -5.313 114.598 119.914 -0.005 0.000 2.971 97 V HA 0.598 4.718 4.120 -0.000 0.000 0.309 97 V C -2.674 173.390 176.094 -0.050 0.000 1.130 97 V CA -2.169 60.102 62.300 -0.048 0.000 0.964 97 V CB 0.957 32.688 31.823 -0.152 0.000 1.029 97 V HN -0.067 nan 8.190 nan 0.000 0.427 98 P HA 0.136 nan 4.420 nan 0.000 0.268 98 P C 0.259 177.525 177.300 -0.056 0.000 1.189 98 P CA 0.711 63.749 63.100 -0.103 0.000 0.771 98 P CB 0.177 31.833 31.700 -0.072 0.000 0.822 99 T N -2.494 112.024 114.554 -0.060 0.000 2.897 99 T HA 0.495 4.845 4.350 -0.000 0.000 0.278 99 T C 1.480 176.174 174.700 -0.009 0.000 0.981 99 T CA 0.155 62.239 62.100 -0.025 0.000 0.973 99 T CB 0.203 69.057 68.868 -0.023 0.000 1.092 99 T HN 0.379 nan 8.240 nan 0.000 0.543 100 Q N 0.125 119.928 119.800 0.005 0.000 1.927 100 Q HA -0.234 4.106 4.340 -0.000 0.000 0.210 100 Q C 2.383 178.392 176.000 0.014 0.000 1.001 100 Q CA 2.912 58.725 55.803 0.016 0.000 0.862 100 Q CB -1.684 nan 28.738 nan 0.000 0.934 100 Q HN 0.955 nan 8.270 nan 0.000 0.420 101 Q N -0.319 119.486 119.800 0.009 0.000 2.118 101 Q HA -0.328 4.012 4.340 -0.000 0.000 0.211 101 Q C 2.378 178.385 176.000 0.012 0.000 0.998 101 Q CA 2.413 58.222 55.803 0.010 0.000 0.872 101 Q CB -0.209 28.533 28.738 0.005 0.000 0.925 101 Q HN 0.841 nan 8.270 nan 0.000 0.414 102 Q N -0.059 119.737 119.800 -0.008 0.000 2.077 102 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 102 Q C 2.319 178.342 176.000 0.038 0.000 0.989 102 Q CA 1.780 57.572 55.803 -0.019 0.000 0.853 102 Q CB -0.263 28.400 28.738 -0.126 0.000 0.907 102 Q HN 0.443 nan 8.270 nan 0.000 0.418 103 L N 0.281 121.525 121.223 0.035 0.000 2.012 103 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 103 L C 2.585 179.496 176.870 0.068 0.000 1.073 103 L CA 1.109 55.992 54.840 0.071 0.000 0.748 103 L CB -0.677 41.420 42.059 0.063 0.000 0.891 103 L HN 0.241 nan 8.230 nan 0.000 0.431 104 A N -0.423 122.425 122.820 0.047 0.000 1.884 104 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 104 A C 2.367 179.976 177.584 0.042 0.000 1.197 104 A CA 2.342 54.402 52.037 0.038 0.000 0.637 104 A CB -1.144 17.872 19.000 0.027 0.000 0.827 104 A HN 0.206 nan 8.150 nan 0.000 0.450 105 V N 0.179 120.122 119.914 0.049 0.000 2.252 105 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 105 V C 2.673 178.802 176.094 0.059 0.000 1.056 105 V CA 2.445 64.776 62.300 0.052 0.000 1.022 105 V CB -0.720 31.143 31.823 0.067 0.000 0.641 105 V HN 0.581 nan 8.190 nan 0.000 0.445 106 E N 0.255 120.504 120.200 0.082 0.000 2.021 106 E HA -0.258 4.092 4.350 -0.000 0.000 0.200 106 E C 2.306 178.947 176.600 0.069 0.000 1.015 106 E CA 1.782 58.233 56.400 0.084 0.000 0.824 106 E CB -0.455 29.313 29.700 0.115 0.000 0.762 106 E HN 0.637 nan 8.360 nan 0.000 0.454 107 R N 0.725 121.263 120.500 0.064 0.000 2.170 107 R HA -0.096 4.244 4.340 -0.000 0.000 0.242 107 R C 2.510 178.820 176.300 0.018 0.000 1.145 107 R CA 1.378 57.503 56.100 0.041 0.000 0.984 107 R CB -0.390 29.929 30.300 0.033 0.000 0.869 107 R HN 0.023 nan 8.270 nan 0.000 0.455 108 S N 1.321 117.033 115.700 0.020 0.000 2.355 108 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 108 S C 1.224 175.828 174.600 0.006 0.000 1.031 108 S CA 0.660 58.864 58.200 0.008 0.000 0.993 108 S CB -0.204 63.004 63.200 0.013 0.000 0.859 108 S HN 0.131 nan 8.310 nan 0.000 0.453 109 L N 2.494 123.727 121.223 0.018 0.000 2.468 109 L HA 0.216 4.556 4.340 -0.000 0.000 0.253 109 L C -2.179 174.697 176.870 0.010 0.000 1.237 109 L CA -1.537 53.311 54.840 0.013 0.000 0.823 109 L CB -0.545 41.529 42.059 0.026 0.000 1.124 109 L HN 0.102 nan 8.230 nan 0.000 0.504 110 P HA 0.118 nan 4.420 nan 0.000 0.296 110 P C -0.441 176.872 177.300 0.023 0.000 1.301 110 P CA -0.646 62.455 63.100 0.001 0.000 0.862 110 P CB 1.457 33.148 31.700 -0.015 0.000 1.046 111 Q N 1.907 121.724 119.800 0.028 0.000 2.404 111 Q HA -0.211 4.129 4.340 -0.000 0.000 0.214 111 Q C 1.708 177.747 176.000 0.065 0.000 0.992 111 Q CA 1.973 57.803 55.803 0.046 0.000 0.899 111 Q CB -0.615 28.106 28.738 -0.028 0.000 0.921 111 Q HN 0.601 nan 8.270 nan 0.000 0.453 112 A N -0.555 122.282 122.820 0.029 0.000 2.016 112 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 112 A C 1.843 179.437 177.584 0.017 0.000 1.162 112 A CA 1.197 53.247 52.037 0.021 0.000 0.662 112 A CB 0.082 19.076 19.000 -0.010 0.000 0.812 112 A HN 0.289 nan 8.150 nan 0.000 0.450 113 A N -0.631 122.175 122.820 -0.024 0.000 2.431 113 A HA 0.324 4.644 4.320 -0.000 0.000 0.239 113 A C 0.692 178.434 177.584 0.263 0.000 1.230 113 A CA -0.343 51.637 52.037 -0.095 0.000 0.928 113 A CB 0.042 18.852 19.000 -0.316 0.000 1.006 113 A HN 0.395 nan 8.150 nan 0.000 0.520 114 K N 0.557 121.050 120.400 0.155 0.000 2.276 114 K HA 0.155 4.475 4.320 -0.000 0.000 0.259 114 K C 0.046 176.574 176.600 -0.121 0.000 1.001 114 K CA -0.261 56.051 56.287 0.041 0.000 0.927 114 K CB 0.656 33.209 32.500 0.089 0.000 0.969 114 K HN 0.049 nan 8.250 nan 0.000 0.490 115 E N 0.413 120.416 120.200 -0.329 0.000 2.489 115 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 115 E C 0.526 176.641 176.600 -0.807 0.000 1.057 115 E CA 0.314 56.405 56.400 -0.515 0.000 0.866 115 E CB 0.087 29.432 29.700 -0.591 0.000 0.916 115 E HN 0.980 nan 8.360 nan 0.000 0.500 116 G N 1.515 109.712 108.800 -1.005 0.000 2.256 116 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.272 116 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.272 116 G C 0.406 174.824 174.900 -0.802 0.000 1.076 116 G CA 0.621 44.806 45.100 -1.525 0.000 0.882 116 G HN 0.477 nan 8.290 nan 0.000 0.497 117 H N -0.619 118.175 119.070 -0.460 0.000 2.491 117 H HA 0.026 4.582 4.556 -0.000 0.000 0.290 117 H C 2.464 177.728 175.328 -0.106 0.000 1.050 117 H CA 1.310 57.230 56.048 -0.214 0.000 1.309 117 H CB 0.313 30.011 29.762 -0.108 0.000 1.392 117 H HN 0.651 nan 8.280 nan 0.000 0.554 118 E N 0.664 120.900 120.200 0.059 0.000 2.110 118 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 118 E C 1.919 178.595 176.600 0.128 0.000 0.988 118 E CA 0.786 57.286 56.400 0.167 0.000 0.804 118 E CB -0.000 29.895 29.700 0.325 0.000 0.745 118 E HN 0.548 nan 8.360 nan 0.000 0.458 119 I N 1.949 122.566 120.570 0.079 0.000 2.381 119 I HA -0.317 3.853 4.170 -0.000 0.000 0.255 119 I C 1.748 177.899 176.117 0.057 0.000 1.140 119 I CA 1.059 62.392 61.300 0.054 0.000 1.404 119 I CB -0.360 37.631 38.000 -0.016 0.000 1.075 119 I HN 0.083 nan 8.210 nan 0.000 0.433 120 D N 0.384 120.822 120.400 0.064 0.000 2.149 120 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 120 D C 2.204 178.583 176.300 0.132 0.000 0.972 120 D CA 1.058 55.111 54.000 0.088 0.000 0.835 120 D CB -0.172 40.673 40.800 0.074 0.000 0.966 120 D HN 0.521 nan 8.370 nan 0.000 0.476 121 Q N 0.326 120.203 119.800 0.130 0.000 2.167 121 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 121 Q C 2.279 178.392 176.000 0.188 0.000 0.970 121 Q CA 1.142 57.054 55.803 0.181 0.000 0.855 121 Q CB -0.168 28.660 28.738 0.149 0.000 0.911 121 Q HN 0.235 nan 8.270 nan 0.000 0.438 122 G N 1.206 110.077 108.800 0.118 0.000 2.402 122 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 122 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 122 G C 1.424 176.360 174.900 0.060 0.000 1.162 122 G CA 0.505 45.644 45.100 0.065 0.000 0.777 122 G HN 0.218 nan 8.290 nan 0.000 0.539 123 I N -0.518 120.105 120.570 0.088 0.000 2.315 123 I HA -0.030 4.140 4.170 -0.000 0.000 0.248 123 I C 2.345 178.534 176.117 0.120 0.000 1.117 123 I CA 0.561 61.910 61.300 0.081 0.000 1.404 123 I CB -0.233 37.823 38.000 0.094 0.000 1.071 123 I HN 0.164 nan 8.210 nan 0.000 0.419 124 F N 1.995 121.958 119.950 0.021 0.000 1.999 124 F HA -0.163 4.364 4.527 -0.000 0.000 0.293 124 F C 2.250 178.052 175.800 0.003 0.000 1.173 124 F CA 1.562 59.574 58.000 0.019 0.000 1.162 124 F CB -0.701 38.325 39.000 0.043 0.000 0.981 124 F HN -0.191 nan 8.300 nan 0.000 0.479 125 L N 0.500 121.707 121.223 -0.028 0.000 2.230 125 L HA -0.324 4.016 4.340 -0.000 0.000 0.217 125 L C 2.694 179.447 176.870 -0.194 0.000 1.090 125 L CA 1.764 56.508 54.840 -0.159 0.000 0.771 125 L CB -0.781 41.301 42.059 0.039 0.000 0.892 125 L HN 0.323 nan 8.230 nan 0.000 0.438 126 R N 0.345 120.765 120.500 -0.134 0.000 2.056 126 R HA -0.141 4.199 4.340 -0.000 0.000 0.227 126 R C 2.422 178.614 176.300 -0.179 0.000 1.149 126 R CA 1.404 57.426 56.100 -0.131 0.000 0.937 126 R CB -0.365 29.885 30.300 -0.083 0.000 0.835 126 R HN 0.252 nan 8.270 nan 0.000 0.430 127 A N 0.729 123.440 122.820 -0.181 0.000 1.948 127 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 127 A C 2.316 179.734 177.584 -0.276 0.000 1.177 127 A CA 1.925 53.844 52.037 -0.198 0.000 0.636 127 A CB -0.704 18.196 19.000 -0.166 0.000 0.815 127 A HN 0.289 nan 8.150 nan 0.000 0.449 128 V N -0.050 119.619 119.914 -0.407 0.000 2.295 128 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 128 V C 2.478 178.352 176.094 -0.366 0.000 1.049 128 V CA 2.040 64.059 62.300 -0.468 0.000 1.024 128 V CB -0.775 30.683 31.823 -0.609 0.000 0.648 128 V HN 0.594 nan 8.190 nan 0.000 0.447 129 L N -0.617 120.437 121.223 -0.283 0.000 2.291 129 L HA -0.062 4.278 4.340 -0.000 0.000 0.214 129 L C 2.614 179.376 176.870 -0.180 0.000 1.120 129 L CA 1.037 55.747 54.840 -0.217 0.000 0.799 129 L CB -0.530 41.414 42.059 -0.192 0.000 0.925 129 L HN 0.251 nan 8.230 nan 0.000 0.446 130 R N -0.465 119.929 120.500 -0.176 0.000 2.235 130 R HA -0.018 4.322 4.340 -0.000 0.000 0.213 130 R C 1.172 177.397 176.300 -0.126 0.000 1.059 130 R CA 0.236 56.254 56.100 -0.136 0.000 0.997 130 R CB -0.073 30.151 30.300 -0.126 0.000 0.884 130 R HN 0.137 nan 8.270 nan 0.000 0.462 131 S N 1.490 117.096 115.700 -0.156 0.000 2.545 131 S HA 0.170 4.640 4.470 -0.000 0.000 0.275 131 S C -1.655 172.879 174.600 -0.110 0.000 1.299 131 S CA -1.721 56.398 58.200 -0.135 0.000 1.048 131 S CB 1.167 64.265 63.200 -0.171 0.000 0.938 131 S HN -0.015 nan 8.310 nan 0.000 0.496 132 P HA 0.041 nan 4.420 nan 0.000 0.239 132 P C 0.698 177.977 177.300 -0.035 0.000 1.184 132 P CA 0.525 63.599 63.100 -0.044 0.000 0.760 132 P CB 0.109 31.793 31.700 -0.027 0.000 0.884 133 L N -1.209 119.976 121.223 -0.063 0.000 2.519 133 L HA 0.268 4.608 4.340 -0.000 0.000 0.194 133 L C 2.618 179.429 176.870 -0.099 0.000 1.072 133 L CA 0.860 55.672 54.840 -0.047 0.000 0.845 133 L CB -0.950 41.086 42.059 -0.038 0.000 1.138 133 L HN -0.211 nan 8.230 nan 0.000 0.487 134 A N 0.368 123.033 122.820 -0.258 0.000 1.872 134 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 134 A C 2.259 179.541 177.584 -0.503 0.000 1.187 134 A CA 1.537 53.178 52.037 -0.661 0.000 0.614 134 A CB -1.292 17.114 19.000 -0.989 0.000 0.826 134 A HN 0.387 nan 8.150 nan 0.000 0.442 135 G N 0.474 109.087 108.800 -0.310 0.000 2.514 135 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 135 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 135 G C -0.318 174.546 174.900 -0.059 0.000 1.198 135 G CA 1.412 46.400 45.100 -0.187 0.000 0.780 135 G HN 0.490 nan 8.290 nan 0.000 0.565 136 P HA -0.096 nan 4.420 nan 0.000 0.221 136 P C 1.431 178.806 177.300 0.124 0.000 1.145 136 P CA 1.134 64.274 63.100 0.066 0.000 0.795 136 P CB -0.075 31.667 31.700 0.070 0.000 0.775 137 H N -0.718 118.384 119.070 0.053 0.000 2.384 137 H HA 0.029 4.585 4.556 0.000 0.000 0.300 137 H C 1.729 177.187 175.328 0.217 0.000 1.057 137 H CA 0.756 56.921 56.048 0.195 0.000 1.370 137 H CB -0.379 29.546 29.762 0.271 0.000 1.417 137 H HN -0.057 nan 8.280 nan 0.000 0.527 138 L N 1.219 122.562 121.223 0.199 0.000 2.141 138 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 138 L C 2.266 179.180 176.870 0.073 0.000 1.094 138 L CA 1.110 56.058 54.840 0.181 0.000 0.763 138 L CB -0.962 41.157 42.059 0.101 0.000 0.908 138 L HN 0.230 nan 8.230 nan 0.000 0.437 139 L N -0.906 120.351 121.223 0.057 0.000 1.973 139 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 139 L C 2.296 179.179 176.870 0.021 0.000 1.073 139 L CA 1.501 56.398 54.840 0.094 0.000 0.746 139 L CB -0.721 41.428 42.059 0.150 0.000 0.891 139 L HN 0.179 nan 8.230 nan 0.000 0.433 140 D N 0.046 120.417 120.400 -0.048 0.000 2.172 140 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 140 D C 2.092 178.171 176.300 -0.369 0.000 0.999 140 D CA 1.572 55.458 54.000 -0.190 0.000 0.856 140 D CB -0.054 40.630 40.800 -0.195 0.000 0.934 140 D HN 0.363 nan 8.370 nan 0.000 0.453 141 A N -0.178 122.401 122.820 -0.401 0.000 2.019 141 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 141 A C 1.915 179.434 177.584 -0.108 0.000 1.164 141 A CA 0.976 52.816 52.037 -0.329 0.000 0.644 141 A CB -0.222 18.717 19.000 -0.101 0.000 0.805 141 A HN 0.129 nan 8.150 nan 0.000 0.449 142 M N -0.616 118.962 119.600 -0.037 0.000 2.494 142 M HA 0.287 4.767 4.480 -0.000 0.000 0.232 142 M C 1.061 177.364 176.300 0.006 0.000 1.137 142 M CA 0.568 55.881 55.300 0.023 0.000 1.012 142 M CB -0.409 32.239 32.600 0.079 0.000 1.567 142 M HN 0.383 nan 8.290 nan 0.000 0.486 143 L N -0.866 120.324 121.223 -0.054 0.000 2.609 143 L HA 0.156 4.496 4.340 -0.000 0.000 0.230 143 L C 0.726 177.560 176.870 -0.060 0.000 1.087 143 L CA -0.012 54.779 54.840 -0.083 0.000 0.874 143 L CB 0.199 42.169 42.059 -0.149 0.000 1.114 143 L HN 0.127 nan 8.230 nan 0.000 0.488 144 R N 2.024 122.487 120.500 -0.061 0.000 2.491 144 R HA 0.159 4.499 4.340 -0.000 0.000 0.283 144 R C -2.138 174.170 176.300 0.014 0.000 1.072 144 R CA -1.821 54.268 56.100 -0.018 0.000 1.048 144 R CB -0.249 30.036 30.300 -0.025 0.000 0.983 144 R HN -0.108 nan 8.270 nan 0.000 0.450 145 P HA -0.119 nan 4.420 nan 0.000 0.263 145 P C -0.543 176.782 177.300 0.042 0.000 1.168 145 P CA 0.525 63.650 63.100 0.043 0.000 0.759 145 P CB 0.318 32.051 31.700 0.055 0.000 0.782 146 T N 6.033 120.611 114.554 0.040 0.000 2.761 146 T HA 0.141 4.491 4.350 -0.000 0.000 0.296 146 T C -1.290 173.433 174.700 0.039 0.000 0.934 146 T CA -0.972 61.151 62.100 0.038 0.000 1.091 146 T CB 0.330 69.218 68.868 0.032 0.000 0.896 146 T HN 0.313 nan 8.240 nan 0.000 0.515 147 P HA -0.242 nan 4.420 nan 0.000 0.218 147 P C 1.637 178.958 177.300 0.035 0.000 1.165 147 P CA 1.116 64.239 63.100 0.039 0.000 0.922 147 P CB 0.113 31.836 31.700 0.039 0.000 0.794 148 R N -0.541 119.977 120.500 0.030 0.000 2.185 148 R HA -0.200 4.140 4.340 -0.000 0.000 0.247 148 R C 1.914 178.228 176.300 0.025 0.000 1.159 148 R CA 1.777 57.892 56.100 0.025 0.000 0.988 148 R CB -0.712 29.599 30.300 0.017 0.000 0.871 148 R HN 0.148 nan 8.270 nan 0.000 0.458 149 A N 0.601 123.437 122.820 0.028 0.000 1.874 149 A HA -0.000 4.320 4.320 -0.000 0.000 0.214 149 A C 2.091 179.706 177.584 0.052 0.000 1.189 149 A CA 0.739 52.795 52.037 0.033 0.000 0.615 149 A CB -0.268 18.753 19.000 0.035 0.000 0.830 149 A HN 0.328 nan 8.150 nan 0.000 0.443 150 L N -0.627 120.626 121.223 0.051 0.000 2.291 150 L HA -0.114 4.226 4.340 -0.000 0.000 0.214 150 L C 2.460 179.362 176.870 0.053 0.000 1.120 150 L CA 1.266 56.140 54.840 0.056 0.000 0.799 150 L CB -0.354 41.734 42.059 0.049 0.000 0.925 150 L HN 0.568 nan 8.230 nan 0.000 0.446 151 E N 1.017 121.245 120.200 0.047 0.000 2.028 151 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 151 E C 1.838 178.470 176.600 0.053 0.000 0.988 151 E CA 1.040 57.466 56.400 0.043 0.000 0.799 151 E CB 0.029 29.750 29.700 0.036 0.000 0.755 151 E HN 0.479 nan 8.360 nan 0.000 0.447 152 L N 1.478 122.736 121.223 0.058 0.000 2.627 152 L HA 0.070 4.410 4.340 -0.000 0.000 0.232 152 L C 1.905 178.854 176.870 0.132 0.000 1.150 152 L CA -0.460 54.428 54.840 0.079 0.000 0.917 152 L CB -0.123 41.970 42.059 0.056 0.000 1.104 152 L HN 0.192 nan 8.230 nan 0.000 0.445 153 L N 2.076 123.372 121.223 0.122 0.000 1.948 153 L HA -0.004 4.336 4.340 -0.000 0.000 0.212 153 L C -0.286 176.670 176.870 0.144 0.000 1.074 153 L CA 1.989 56.927 54.840 0.163 0.000 0.753 153 L CB -1.512 40.617 42.059 0.118 0.000 0.888 153 L HN 0.067 nan 8.230 nan 0.000 0.432 154 P HA -0.272 nan 4.420 nan 0.000 0.216 154 P C 1.401 178.737 177.300 0.060 0.000 1.157 154 P CA 2.030 65.163 63.100 0.054 0.000 0.880 154 P CB -0.042 31.683 31.700 0.041 0.000 0.791 155 E N -0.641 119.611 120.200 0.086 0.000 2.058 155 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 155 E C 1.898 178.582 176.600 0.140 0.000 0.997 155 E CA 1.031 57.487 56.400 0.093 0.000 0.801 155 E CB -1.204 28.553 29.700 0.095 0.000 0.746 155 E HN 0.092 nan 8.360 nan 0.000 0.450 156 F N 0.436 120.399 119.950 0.023 0.000 2.069 156 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 156 F C 2.068 177.879 175.800 0.018 0.000 1.113 156 F CA 1.470 59.484 58.000 0.024 0.000 1.214 156 F CB -0.830 38.187 39.000 0.028 0.000 0.978 156 F HN -0.026 nan 8.300 nan 0.000 0.474 157 V N 1.240 121.010 119.914 -0.241 0.000 2.380 157 V HA -0.328 3.792 4.120 -0.000 0.000 0.251 157 V C 2.668 178.624 176.094 -0.230 0.000 1.063 157 V CA 2.414 64.518 62.300 -0.327 0.000 1.055 157 V CB -0.953 30.784 31.823 -0.144 0.000 0.657 157 V HN 0.379 nan 8.190 nan 0.000 0.455 158 R N -0.424 120.006 120.500 -0.115 0.000 2.100 158 R HA -0.094 4.246 4.340 -0.000 0.000 0.220 158 R C 2.263 178.525 176.300 -0.064 0.000 1.091 158 R CA 1.667 57.724 56.100 -0.072 0.000 0.986 158 R CB -0.187 30.097 30.300 -0.027 0.000 0.888 158 R HN 0.579 nan 8.270 nan 0.000 0.444 159 T N -1.080 113.450 114.554 -0.040 0.000 2.735 159 T HA 0.103 4.453 4.350 -0.000 0.000 0.256 159 T C 1.306 176.000 174.700 -0.010 0.000 1.042 159 T CA 1.253 63.361 62.100 0.013 0.000 1.147 159 T CB -0.254 68.675 68.868 0.102 0.000 0.865 159 T HN 0.521 nan 8.240 nan 0.000 0.421 160 G N 1.218 109.969 108.800 -0.081 0.000 2.175 160 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 160 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 160 G C -0.045 175.038 174.900 0.305 0.000 0.982 160 G CA 0.244 45.288 45.100 -0.094 0.000 0.641 160 G HN 0.651 nan 8.290 nan 0.000 0.527 161 E N -0.351 120.090 120.200 0.401 0.000 2.291 161 E HA 0.554 4.904 4.350 -0.000 0.000 0.276 161 E C -1.230 175.546 176.600 0.292 0.000 0.896 161 E CA -0.695 55.917 56.400 0.355 0.000 0.774 161 E CB 2.345 32.183 29.700 0.229 0.000 1.227 161 E HN 0.251 nan 8.360 nan 0.000 0.413 162 V N 3.779 123.788 119.914 0.159 0.000 2.531 162 V HA 0.372 4.492 4.120 -0.000 0.000 0.301 162 V C -0.670 175.472 176.094 0.080 0.000 1.034 162 V CA -0.783 61.545 62.300 0.047 0.000 0.865 162 V CB 1.823 33.552 31.823 -0.156 0.000 0.995 162 V HN 0.671 nan 8.190 nan 0.000 0.424 163 E N 5.264 125.487 120.200 0.039 0.000 2.158 163 E HA 0.739 5.089 4.350 -0.000 0.000 0.271 163 E C -1.041 175.548 176.600 -0.020 0.000 0.911 163 E CA -0.461 55.931 56.400 -0.013 0.000 0.767 163 E CB 2.051 31.703 29.700 -0.081 0.000 1.120 163 E HN 0.588 nan 8.360 nan 0.000 0.405 164 M N 1.537 121.125 119.600 -0.019 0.000 2.501 164 M HA 0.213 4.693 4.480 -0.000 0.000 0.293 164 M C 0.891 177.179 176.300 -0.019 0.000 1.192 164 M CA -0.689 54.599 55.300 -0.020 0.000 0.886 164 M CB 2.330 34.914 32.600 -0.025 0.000 1.710 164 M HN 0.500 nan 8.290 nan 0.000 0.457 165 E N 1.855 122.047 120.200 -0.014 0.000 2.110 165 E HA -0.300 4.050 4.350 -0.000 0.000 0.225 165 E C 1.529 178.124 176.600 -0.008 0.000 1.063 165 E CA 3.104 59.500 56.400 -0.008 0.000 0.906 165 E CB 0.121 29.824 29.700 0.005 0.000 0.795 165 E HN 0.797 nan 8.360 nan 0.000 0.479 166 A N 0.331 123.145 122.820 -0.010 0.000 1.943 166 A HA 0.174 4.494 4.320 -0.000 0.000 0.213 166 A C 0.835 178.406 177.584 -0.021 0.000 1.181 166 A CA 0.471 52.498 52.037 -0.016 0.000 0.653 166 A CB 0.439 19.427 19.000 -0.020 0.000 0.833 166 A HN 0.137 nan 8.150 nan 0.000 0.451 167 V N 0.081 119.982 119.914 -0.022 0.000 2.630 167 V HA 0.310 4.430 4.120 -0.000 0.000 0.305 167 V C -0.365 175.766 176.094 0.061 0.000 1.046 167 V CA -0.636 61.660 62.300 -0.006 0.000 0.934 167 V CB 1.475 33.266 31.823 -0.053 0.000 1.003 167 V HN 0.543 nan 8.190 nan 0.000 0.451 168 H N 4.055 123.097 119.070 -0.046 0.000 2.792 168 H HA 0.514 5.070 4.556 -0.000 0.000 0.298 168 H C -1.108 174.197 175.328 -0.038 0.000 1.042 168 H CA -0.891 55.135 56.048 -0.037 0.000 1.300 168 H CB 1.436 31.188 29.762 -0.018 0.000 1.431 168 H HN 0.566 nan 8.280 nan 0.000 0.496 169 L N 4.054 125.278 121.223 0.001 0.000 2.439 169 L HA 0.356 4.696 4.340 -0.000 0.000 0.261 169 L C -0.546 176.243 176.870 -0.135 0.000 1.153 169 L CA 0.151 54.903 54.840 -0.147 0.000 0.808 169 L CB 1.180 43.052 42.059 -0.312 0.000 1.126 169 L HN 0.849 nan 8.230 nan 0.000 0.460 170 E N 3.505 123.675 120.200 -0.051 0.000 2.647 170 E HA 0.197 4.547 4.350 -0.000 0.000 0.320 170 E C -1.520 175.176 176.600 0.159 0.000 0.951 170 E CA -0.702 55.748 56.400 0.083 0.000 0.809 170 E CB 0.930 30.566 29.700 -0.108 0.000 1.295 170 E HN 0.734 nan 8.360 nan 0.000 0.407 171 R N 3.874 124.540 120.500 0.277 0.000 2.357 171 R HA 0.514 4.854 4.340 -0.000 0.000 0.296 171 R C -0.719 175.597 176.300 0.027 0.000 1.052 171 R CA -0.227 55.946 56.100 0.121 0.000 0.988 171 R CB 1.023 31.325 30.300 0.003 0.000 1.025 171 R HN 0.580 nan 8.270 nan 0.000 0.469 172 R N 2.839 123.338 120.500 -0.002 0.000 2.536 172 R HA 0.090 4.430 4.340 -0.000 0.000 0.269 172 R C -1.119 175.166 176.300 -0.026 0.000 1.113 172 R CA -0.371 55.721 56.100 -0.015 0.000 0.948 172 R CB 1.101 31.395 30.300 -0.010 0.000 1.237 172 R HN 0.918 nan 8.270 nan 0.000 0.441 173 D N 3.112 123.495 120.400 -0.028 0.000 2.782 173 D HA -0.228 4.412 4.640 -0.000 0.000 0.231 173 D C 0.559 176.835 176.300 -0.039 0.000 1.163 173 D CA 1.837 55.818 54.000 -0.031 0.000 0.680 173 D CB -0.851 39.933 40.800 -0.027 0.000 1.062 173 D HN 1.085 nan 8.370 nan 0.000 0.425 174 G N -1.757 107.016 108.800 -0.045 0.000 2.136 174 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.242 174 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.242 174 G C 0.225 175.084 174.900 -0.068 0.000 0.989 174 G CA 0.237 45.304 45.100 -0.056 0.000 0.682 174 G HN 0.557 nan 8.290 nan 0.000 0.522 175 V N 0.413 120.292 119.914 -0.058 0.000 2.417 175 V HA 0.767 4.887 4.120 -0.000 0.000 0.291 175 V C 0.617 176.681 176.094 -0.050 0.000 1.024 175 V CA -0.314 61.941 62.300 -0.076 0.000 0.861 175 V CB 1.768 33.554 31.823 -0.062 0.000 0.985 175 V HN 1.102 nan 8.190 nan 0.000 0.436 176 A N 5.969 128.735 122.820 -0.090 0.000 2.798 176 A HA 0.458 4.778 4.320 -0.000 0.000 0.316 176 A C 0.484 178.051 177.584 -0.029 0.000 1.506 176 A CA -0.472 51.554 52.037 -0.018 0.000 1.162 176 A CB -0.341 18.629 19.000 -0.050 0.000 1.138 176 A HN 0.846 nan 8.150 nan 0.000 0.532 177 R N 1.589 122.082 120.500 -0.012 0.000 2.316 177 R HA 0.424 4.764 4.340 -0.000 0.000 0.314 177 R C -1.069 175.220 176.300 -0.020 0.000 1.069 177 R CA -0.379 55.711 56.100 -0.017 0.000 0.959 177 R CB 0.458 30.729 30.300 -0.049 0.000 0.987 177 R HN 0.447 nan 8.270 nan 0.000 0.446 178 L N 1.937 123.186 121.223 0.044 0.000 2.331 178 L HA 0.424 4.764 4.340 -0.000 0.000 0.275 178 L C 0.151 177.025 176.870 0.006 0.000 1.022 178 L CA 0.058 54.919 54.840 0.035 0.000 0.812 178 L CB 2.220 44.353 42.059 0.124 0.000 1.257 178 L HN 0.607 nan 8.230 nan 0.000 0.435 179 T N 2.813 117.362 114.554 -0.010 0.000 3.078 179 T HA 0.388 4.738 4.350 -0.000 0.000 0.328 179 T C -0.133 174.573 174.700 0.010 0.000 0.987 179 T CA -0.448 61.654 62.100 0.003 0.000 1.049 179 T CB 0.595 69.466 68.868 0.005 0.000 1.011 179 T HN 0.377 nan 8.240 nan 0.000 0.463 180 M N 3.133 122.710 119.600 -0.037 0.000 2.612 180 M HA 0.129 4.609 4.480 -0.000 0.000 0.336 180 M C 0.526 176.796 176.300 -0.050 0.000 1.699 180 M CA -0.064 55.192 55.300 -0.074 0.000 1.284 180 M CB -0.440 32.057 32.600 -0.170 0.000 1.957 180 M HN 0.776 nan 8.290 nan 0.000 0.456 181 C N 2.132 121.420 119.300 -0.020 0.000 3.075 181 C HA 0.463 4.923 4.460 -0.000 0.000 0.262 181 C C 0.447 175.430 174.990 -0.012 0.000 1.371 181 C CA -1.095 57.920 59.018 -0.006 0.000 1.594 181 C CB -0.363 27.393 27.740 0.026 0.000 1.849 181 C HN 0.667 nan 8.230 nan 0.000 0.475 182 R N 2.213 122.698 120.500 -0.025 0.000 4.496 182 R HA 0.115 4.455 4.340 -0.000 0.000 0.211 182 R C 0.506 176.808 176.300 0.003 0.000 1.738 182 R CA -0.173 55.920 56.100 -0.012 0.000 1.528 182 R CB -0.438 29.848 30.300 -0.024 0.000 1.414 182 R HN 0.770 nan 8.270 nan 0.000 0.812 183 D N 1.105 121.513 120.400 0.013 0.000 2.890 183 D HA -0.124 4.516 4.640 -0.000 0.000 0.232 183 D C 0.213 176.544 176.300 0.052 0.000 1.206 183 D CA 0.315 54.335 54.000 0.033 0.000 1.108 183 D CB 0.154 40.970 40.800 0.027 0.000 1.198 183 D HN 0.426 nan 8.370 nan 0.000 0.439 184 D N -0.155 120.280 120.400 0.058 0.000 2.186 184 D HA -0.086 4.554 4.640 -0.000 0.000 0.316 184 D C 1.312 177.677 176.300 0.108 0.000 1.071 184 D CA -0.153 53.902 54.000 0.092 0.000 0.869 184 D CB 0.004 40.848 40.800 0.073 0.000 1.623 184 D HN 0.430 nan 8.370 nan 0.000 0.531 185 R N 0.566 121.093 120.500 0.045 0.000 2.518 185 R HA 0.295 4.635 4.340 -0.000 0.000 0.419 185 R C -0.272 176.010 176.300 -0.030 0.000 0.902 185 R CA -0.514 55.590 56.100 0.007 0.000 1.146 185 R CB 0.143 30.436 30.300 -0.011 0.000 1.652 185 R HN -0.118 nan 8.270 nan 0.000 0.555 186 L N 2.002 123.201 121.223 -0.041 0.000 3.717 186 L HA -0.274 4.066 4.340 -0.000 0.000 0.414 186 L C -0.438 176.381 176.870 -0.085 0.000 1.228 186 L CA 1.030 55.819 54.840 -0.085 0.000 0.918 186 L CB -2.162 39.868 42.059 -0.049 0.000 1.865 186 L HN 0.707 nan 8.230 nan 0.000 0.922 187 N N -3.136 115.516 118.700 -0.081 0.000 2.732 187 N HA -0.224 4.516 4.740 -0.000 0.000 0.250 187 N C 0.827 176.295 175.510 -0.071 0.000 1.097 187 N CA 1.225 54.221 53.050 -0.090 0.000 0.812 187 N CB -0.710 37.687 38.487 -0.150 0.000 1.148 187 N HN 0.857 nan 8.380 nan 0.000 0.572 188 A N 1.092 123.874 122.820 -0.063 0.000 2.572 188 A HA -0.013 4.307 4.320 -0.000 0.000 0.256 188 A C 0.731 178.277 177.584 -0.064 0.000 1.041 188 A CA 0.613 52.606 52.037 -0.073 0.000 0.790 188 A CB -0.054 18.872 19.000 -0.124 0.000 0.947 188 A HN 0.306 nan 8.150 nan 0.000 0.518 189 E N 1.554 121.754 120.200 0.000 0.000 2.436 189 E HA 0.306 4.656 4.350 -0.000 0.000 0.262 189 E C -0.390 176.243 176.600 0.055 0.000 1.063 189 E CA 1.083 57.551 56.400 0.114 0.000 0.944 189 E CB 0.387 30.257 29.700 0.285 0.000 0.950 189 E HN 0.847 nan 8.360 nan 0.000 0.444 190 D N -0.926 119.590 120.400 0.193 0.000 2.720 190 D HA 0.138 4.778 4.640 -0.000 0.000 0.239 190 D C 0.329 176.798 176.300 0.282 0.000 1.218 190 D CA -0.673 53.333 54.000 0.011 0.000 0.748 190 D CB 0.136 40.949 40.800 0.022 0.000 1.387 190 D HN 0.335 nan 8.370 nan 0.000 0.438 191 G N -0.357 108.556 108.800 0.189 0.000 2.653 191 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.212 191 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.212 191 G C 0.993 176.068 174.900 0.290 0.000 1.138 191 G CA 1.044 46.468 45.100 0.539 0.000 0.782 191 G HN 0.454 nan 8.290 nan 0.000 0.535 192 Q N 0.097 120.016 119.800 0.198 0.000 2.259 192 Q HA 0.060 4.400 4.340 -0.000 0.000 0.201 192 Q C 2.377 178.427 176.000 0.084 0.000 0.938 192 Q CA 1.317 57.191 55.803 0.119 0.000 0.872 192 Q CB -0.417 28.377 28.738 0.092 0.000 0.971 192 Q HN 0.540 nan 8.270 nan 0.000 0.494 193 Q N -0.343 119.517 119.800 0.099 0.000 2.096 193 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 193 Q C 1.570 177.548 176.000 -0.037 0.000 0.982 193 Q CA 1.990 57.812 55.803 0.031 0.000 0.850 193 Q CB -0.157 28.613 28.738 0.052 0.000 0.901 193 Q HN 0.311 nan 8.270 nan 0.000 0.422 194 V N 1.278 121.223 119.914 0.053 0.000 2.982 194 V HA -0.219 3.901 4.120 -0.000 0.000 0.265 194 V C 1.465 177.505 176.094 -0.090 0.000 1.122 194 V CA 1.975 64.243 62.300 -0.053 0.000 1.143 194 V CB -0.595 31.224 31.823 -0.007 0.000 0.726 194 V HN 0.493 nan 8.190 nan 0.000 0.507 195 D N -0.514 119.867 120.400 -0.033 0.000 2.320 195 D HA -0.104 4.536 4.640 -0.000 0.000 0.228 195 D C 1.831 178.081 176.300 -0.083 0.000 0.978 195 D CA 0.722 54.704 54.000 -0.030 0.000 0.905 195 D CB 0.063 40.873 40.800 0.017 0.000 1.051 195 D HN 0.278 nan 8.370 nan 0.000 0.471 196 D N 0.058 120.410 120.400 -0.081 0.000 2.182 196 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 196 D C 1.990 178.191 176.300 -0.164 0.000 0.986 196 D CA 0.722 54.666 54.000 -0.094 0.000 0.847 196 D CB -0.060 40.699 40.800 -0.068 0.000 0.942 196 D HN 0.291 nan 8.370 nan 0.000 0.467 197 M N 0.399 119.828 119.600 -0.284 0.000 2.077 197 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 197 M C 2.163 178.187 176.300 -0.459 0.000 1.070 197 M CA 1.167 56.166 55.300 -0.501 0.000 1.125 197 M CB -1.012 30.974 32.600 -1.024 0.000 1.339 197 M HN 0.045 nan 8.290 nan 0.000 0.409 198 E N -0.857 119.108 120.200 -0.391 0.000 2.338 198 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 198 E C 1.289 177.849 176.600 -0.067 0.000 1.007 198 E CA 1.321 57.637 56.400 -0.139 0.000 0.849 198 E CB 0.195 29.887 29.700 -0.013 0.000 0.774 198 E HN 0.428 nan 8.360 nan 0.000 0.506 199 T N -0.316 114.187 114.554 -0.086 0.000 3.009 199 T HA 0.143 4.493 4.350 -0.000 0.000 0.258 199 T C 1.774 176.440 174.700 -0.057 0.000 1.063 199 T CA 0.611 62.681 62.100 -0.049 0.000 1.139 199 T CB 0.064 68.901 68.868 -0.051 0.000 0.890 199 T HN 0.301 nan 8.240 nan 0.000 0.471 200 A N 1.380 124.150 122.820 -0.083 0.000 1.902 200 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 200 A C 2.492 180.110 177.584 0.056 0.000 1.181 200 A CA 1.285 53.284 52.037 -0.063 0.000 0.623 200 A CB -1.001 17.962 19.000 -0.061 0.000 0.818 200 A HN 0.335 nan 8.150 nan 0.000 0.443 201 V N 0.710 120.664 119.914 0.067 0.000 2.261 201 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 201 V C 2.237 178.460 176.094 0.214 0.000 1.047 201 V CA 2.264 64.672 62.300 0.179 0.000 1.015 201 V CB -0.975 30.848 31.823 -0.000 0.000 0.642 201 V HN 0.482 nan 8.190 nan 0.000 0.446 202 D N 0.406 120.871 120.400 0.109 0.000 2.108 202 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 202 D C 2.194 178.571 176.300 0.128 0.000 0.995 202 D CA 1.545 55.608 54.000 0.105 0.000 0.834 202 D CB -0.559 40.279 40.800 0.064 0.000 0.967 202 D HN 0.312 nan 8.370 nan 0.000 0.446 203 L N 0.742 122.021 121.223 0.093 0.000 1.997 203 L HA -0.267 4.073 4.340 -0.000 0.000 0.216 203 L C 2.612 179.616 176.870 0.223 0.000 1.074 203 L CA 1.530 56.450 54.840 0.133 0.000 0.763 203 L CB -0.599 41.424 42.059 -0.061 0.000 0.890 203 L HN 0.007 nan 8.230 nan 0.000 0.434 204 A N -0.083 122.851 122.820 0.190 0.000 1.917 204 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 204 A C 2.251 179.934 177.584 0.166 0.000 1.182 204 A CA 1.762 53.923 52.037 0.208 0.000 0.633 204 A CB -0.719 18.435 19.000 0.257 0.000 0.819 204 A HN 0.403 nan 8.150 nan 0.000 0.448 205 L N -1.022 120.332 121.223 0.218 0.000 2.072 205 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 205 L C 2.282 179.220 176.870 0.114 0.000 1.079 205 L CA 0.798 55.740 54.840 0.169 0.000 0.752 205 L CB -0.359 41.822 42.059 0.204 0.000 0.906 205 L HN 0.354 nan 8.230 nan 0.000 0.436 206 L N -0.984 120.314 121.223 0.125 0.000 2.492 206 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 206 L C 0.601 177.527 176.870 0.093 0.000 1.132 206 L CA -0.038 54.864 54.840 0.103 0.000 0.850 206 L CB -0.314 41.808 42.059 0.105 0.000 0.966 206 L HN 0.149 nan 8.230 nan 0.000 0.454 207 D N 1.287 121.758 120.400 0.118 0.000 2.344 207 D HA 0.065 4.705 4.640 -0.000 0.000 0.253 207 D C -1.605 174.703 176.300 0.013 0.000 1.255 207 D CA -2.011 52.029 54.000 0.066 0.000 0.894 207 D CB 1.477 42.336 40.800 0.098 0.000 1.067 207 D HN -0.071 nan 8.370 nan 0.000 0.492 208 P HA -0.057 nan 4.420 nan 0.000 0.220 208 P C 1.125 178.406 177.300 -0.032 0.000 1.144 208 P CA 0.814 63.907 63.100 -0.012 0.000 0.800 208 P CB 0.267 31.960 31.700 -0.011 0.000 0.772 209 G N -1.280 107.487 108.800 -0.055 0.000 2.920 209 G HA2 0.060 4.020 3.960 -0.000 0.000 0.208 209 G HA3 0.060 4.020 3.960 -0.000 0.000 0.208 209 G C 0.252 175.114 174.900 -0.063 0.000 1.159 209 G CA 0.057 45.115 45.100 -0.069 0.000 0.784 209 G HN 0.174 nan 8.290 nan 0.000 0.535 210 V N 0.294 120.178 119.914 -0.050 0.000 2.472 210 V HA 0.397 4.517 4.120 -0.000 0.000 0.290 210 V C 0.803 176.846 176.094 -0.084 0.000 1.037 210 V CA -0.532 61.731 62.300 -0.062 0.000 0.908 210 V CB 1.626 33.425 31.823 -0.040 0.000 0.985 210 V HN 0.294 nan 8.190 nan 0.000 0.454 211 R N 2.609 123.044 120.500 -0.108 0.000 2.310 211 R HA 0.395 4.735 4.340 -0.000 0.000 0.199 211 R C -0.660 175.540 176.300 -0.167 0.000 0.891 211 R CA 0.250 56.284 56.100 -0.109 0.000 1.060 211 R CB 1.122 31.375 30.300 -0.079 0.000 1.188 211 R HN 0.511 nan 8.270 nan 0.000 0.607 212 V N 0.388 120.176 119.914 -0.210 0.000 2.760 212 V HA 0.546 4.666 4.120 -0.000 0.000 0.309 212 V C -0.187 175.654 176.094 -0.421 0.000 1.077 212 V CA -1.088 61.040 62.300 -0.286 0.000 0.910 212 V CB 1.922 33.648 31.823 -0.162 0.000 1.008 212 V HN 0.285 nan 8.190 nan 0.000 0.424 213 G N 2.301 110.663 108.800 -0.730 0.000 2.410 213 G HA2 0.682 4.642 3.960 -0.000 0.000 0.330 213 G HA3 0.682 4.642 3.960 -0.000 0.000 0.330 213 G C -1.548 173.263 174.900 -0.148 0.000 1.142 213 G CA -0.479 44.114 45.100 -0.845 0.000 0.902 213 G HN 0.628 nan 8.290 nan 0.000 0.491 214 L N 1.611 122.856 121.223 0.037 0.000 2.438 214 L HA 0.693 5.033 4.340 -0.000 0.000 0.270 214 L C -1.519 175.458 176.870 0.178 0.000 0.972 214 L CA -1.030 53.874 54.840 0.107 0.000 0.831 214 L CB 2.011 44.079 42.059 0.016 0.000 1.273 214 L HN 0.417 nan 8.230 nan 0.000 0.405 215 L N 5.826 127.131 121.223 0.136 0.000 2.319 215 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 215 L C -0.617 176.323 176.870 0.117 0.000 1.005 215 L CA 0.095 55.013 54.840 0.131 0.000 0.828 215 L CB 0.957 43.099 42.059 0.140 0.000 1.227 215 L HN 0.870 nan 8.230 nan 0.000 0.415 216 R N 2.399 122.965 120.500 0.110 0.000 2.846 216 R HA 0.822 5.162 4.340 -0.000 0.000 0.263 216 R C -0.934 175.413 176.300 0.079 0.000 1.080 216 R CA -0.659 55.525 56.100 0.139 0.000 0.961 216 R CB 1.900 32.235 30.300 0.059 0.000 1.231 216 R HN 0.777 nan 8.270 nan 0.000 0.465 217 G N -0.258 108.591 108.800 0.082 0.000 2.372 217 G HA2 0.490 4.450 3.960 -0.000 0.000 0.323 217 G HA3 0.490 4.450 3.960 -0.000 0.000 0.323 217 G C -0.269 174.622 174.900 -0.016 0.000 1.152 217 G CA -0.494 44.600 45.100 -0.009 0.000 0.906 217 G HN 0.667 nan 8.290 nan 0.000 0.460 218 G N -0.015 108.775 108.800 -0.017 0.000 2.684 218 G HA2 0.391 4.351 3.960 -0.000 0.000 0.255 218 G HA3 0.391 4.351 3.960 -0.000 0.000 0.255 218 G C 0.293 175.187 174.900 -0.011 0.000 1.219 218 G CA -0.380 44.722 45.100 0.004 0.000 0.901 218 G HN 0.721 nan 8.290 nan 0.000 0.548 219 V N 1.640 121.559 119.914 0.007 0.000 2.740 219 V HA 0.090 4.210 4.120 -0.000 0.000 0.303 219 V C 0.591 176.694 176.094 0.015 0.000 1.054 219 V CA -0.009 62.298 62.300 0.011 0.000 1.106 219 V CB 1.051 32.888 31.823 0.024 0.000 0.957 219 V HN 0.511 nan 8.190 nan 0.000 0.486 220 M N 3.511 123.128 119.600 0.027 0.000 2.318 220 M HA 0.272 4.752 4.480 -0.000 0.000 0.347 220 M C 1.140 177.497 176.300 0.095 0.000 1.175 220 M CA -0.072 55.261 55.300 0.056 0.000 1.075 220 M CB 1.427 34.066 32.600 0.064 0.000 1.614 220 M HN 0.883 nan 8.290 nan 0.000 0.456 221 S N 0.771 116.532 115.700 0.101 0.000 2.441 221 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 221 S C 0.868 175.542 174.600 0.123 0.000 1.043 221 S CA 0.147 58.401 58.200 0.091 0.000 0.948 221 S CB -0.339 62.898 63.200 0.062 0.000 0.810 221 S HN 0.761 nan 8.310 nan 0.000 0.504 222 H N 5.066 124.178 119.070 0.070 0.000 3.092 222 H HA 0.042 4.598 4.556 -0.000 0.000 0.332 222 H C -1.464 173.909 175.328 0.074 0.000 1.029 222 H CA -0.066 56.030 56.048 0.080 0.000 1.376 222 H CB 0.787 30.620 29.762 0.117 0.000 1.329 222 H HN 0.114 nan 8.280 nan 0.000 0.598 223 P HA -0.208 nan 4.420 nan 0.000 0.215 223 P C 1.486 178.840 177.300 0.089 0.000 1.153 223 P CA 2.472 65.508 63.100 -0.108 0.000 0.853 223 P CB -0.088 31.466 31.700 -0.243 0.000 0.788 224 R N -0.801 119.915 120.500 0.361 0.000 2.241 224 R HA -0.111 4.229 4.340 -0.000 0.000 0.224 224 R C 0.805 176.821 176.300 -0.474 0.000 1.101 224 R CA 1.354 57.432 56.100 -0.037 0.000 0.995 224 R CB -1.837 28.444 30.300 -0.033 0.000 0.870 224 R HN 0.425 nan 8.270 nan 0.000 0.463 225 Y N -0.835 119.604 120.300 0.231 0.000 2.634 225 Y HA 0.329 4.879 4.550 -0.000 0.000 0.300 225 Y C -0.007 175.949 175.900 0.093 0.000 0.977 225 Y CA -0.928 57.240 58.100 0.112 0.000 1.134 225 Y CB 0.583 39.072 38.460 0.050 0.000 1.161 225 Y HN 0.187 nan 8.280 nan 0.000 0.623 226 R N 0.743 121.339 120.500 0.160 0.000 2.221 226 R HA 0.549 4.889 4.340 -0.000 0.000 0.327 226 R C 1.033 177.383 176.300 0.083 0.000 1.033 226 R CA 0.837 57.003 56.100 0.110 0.000 0.887 226 R CB 0.432 30.769 30.300 0.063 0.000 1.057 226 R HN 0.718 nan 8.270 nan 0.000 0.455 227 G N 3.179 112.024 108.800 0.075 0.000 2.176 227 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.232 227 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.232 227 G C -0.393 174.541 174.900 0.057 0.000 0.986 227 G CA -0.075 45.058 45.100 0.055 0.000 0.643 227 G HN 0.534 nan 8.290 nan 0.000 0.522 228 K N 0.170 120.617 120.400 0.078 0.000 2.318 228 K HA 0.607 4.927 4.320 -0.000 0.000 0.249 228 K C 0.279 176.886 176.600 0.012 0.000 0.942 228 K CA -0.973 55.351 56.287 0.061 0.000 0.808 228 K CB 1.878 34.447 32.500 0.116 0.000 1.189 228 K HN 0.160 nan 8.250 nan 0.000 0.428 229 R N 0.767 121.249 120.500 -0.030 0.000 2.582 229 R HA 0.418 4.758 4.340 -0.000 0.000 0.271 229 R C -0.526 175.658 176.300 -0.193 0.000 1.078 229 R CA -0.480 55.573 56.100 -0.078 0.000 1.127 229 R CB 0.813 31.081 30.300 -0.053 0.000 1.038 229 R HN 0.230 nan 8.270 nan 0.000 0.500 230 V N 2.896 122.660 119.914 -0.250 0.000 2.733 230 V HA 0.119 4.239 4.120 -0.000 0.000 0.306 230 V C -0.115 175.817 176.094 -0.271 0.000 1.084 230 V CA -0.663 61.358 62.300 -0.464 0.000 0.905 230 V CB 1.602 33.008 31.823 -0.696 0.000 1.010 230 V HN 0.740 nan 8.190 nan 0.000 0.424 231 F N 2.717 122.419 119.950 -0.413 0.000 2.053 231 F HA 0.278 4.805 4.527 0.000 0.000 0.292 231 F C 1.164 176.870 175.800 -0.156 0.000 1.125 231 F CA 1.858 59.719 58.000 -0.231 0.000 1.193 231 F CB 0.444 39.330 39.000 -0.192 0.000 0.996 231 F HN 0.604 nan 8.300 nan 0.000 0.470 232 S N -1.739 113.896 115.700 -0.108 0.000 2.578 232 S HA 0.552 5.022 4.470 -0.000 0.000 0.285 232 S C -0.683 173.996 174.600 0.132 0.000 1.126 232 S CA -0.334 57.803 58.200 -0.104 0.000 0.878 232 S CB 0.727 63.779 63.200 -0.246 0.000 1.091 232 S HN 0.522 nan 8.310 nan 0.000 0.450 233 A N 2.816 125.704 122.820 0.114 0.000 2.708 233 A HA 0.715 5.035 4.320 -0.000 0.000 0.293 233 A C 1.429 179.043 177.584 0.050 0.000 1.303 233 A CA 0.673 52.801 52.037 0.151 0.000 0.949 233 A CB -1.275 17.806 19.000 0.136 0.000 1.121 233 A HN 2.407 nan 8.150 nan 0.000 0.542 234 G N -0.027 108.806 108.800 0.055 0.000 2.528 234 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.262 234 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.262 234 G C 0.156 175.085 174.900 0.050 0.000 1.200 234 G CA 0.093 45.225 45.100 0.053 0.000 0.951 234 G HN 0.944 nan 8.290 nan 0.000 0.566 235 I N 1.215 121.815 120.570 0.051 0.000 2.612 235 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 235 I C 0.555 176.629 176.117 -0.072 0.000 1.011 235 I CA -0.820 60.499 61.300 0.032 0.000 1.326 235 I CB 1.019 39.059 38.000 0.067 0.000 1.427 235 I HN 0.587 nan 8.210 nan 0.000 0.537 236 N N 6.433 125.028 118.700 -0.176 0.000 2.400 236 N HA 0.029 4.769 4.740 -0.000 0.000 0.278 236 N C 0.849 176.229 175.510 -0.216 0.000 1.247 236 N CA 0.380 53.253 53.050 -0.295 0.000 0.970 236 N CB 0.266 38.370 38.487 -0.638 0.000 1.312 236 N HN 0.617 nan 8.380 nan 0.000 0.488 237 L N 2.723 123.869 121.223 -0.128 0.000 2.189 237 L HA -0.245 4.095 4.340 -0.000 0.000 0.214 237 L C 2.127 178.966 176.870 -0.053 0.000 1.097 237 L CA 1.299 56.095 54.840 -0.074 0.000 0.764 237 L CB -0.144 41.888 42.059 -0.046 0.000 0.900 237 L HN 0.490 nan 8.230 nan 0.000 0.436 238 K N -0.801 119.557 120.400 -0.070 0.000 1.963 238 K HA -0.171 4.149 4.320 -0.000 0.000 0.216 238 K C 2.042 178.737 176.600 0.159 0.000 1.045 238 K CA 1.519 57.829 56.287 0.039 0.000 0.954 238 K CB -0.359 32.181 32.500 0.067 0.000 0.732 238 K HN 0.045 nan 8.250 nan 0.000 0.442 239 Y N 1.039 121.299 120.300 -0.068 0.000 2.348 239 Y HA -0.199 4.351 4.550 0.000 0.000 0.285 239 Y C 2.065 177.903 175.900 -0.102 0.000 1.173 239 Y CA 0.384 58.432 58.100 -0.087 0.000 1.263 239 Y CB -0.948 37.440 38.460 -0.121 0.000 0.974 239 Y HN 0.114 nan 8.280 nan 0.000 0.547 240 L N -0.460 120.784 121.223 0.035 0.000 2.017 240 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 240 L C 2.644 179.497 176.870 -0.028 0.000 1.073 240 L CA 2.170 56.989 54.840 -0.035 0.000 0.745 240 L CB -1.042 40.982 42.059 -0.057 0.000 0.894 240 L HN 0.195 nan 8.230 nan 0.000 0.432 241 S N -1.447 114.252 115.700 -0.002 0.000 2.371 241 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 241 S C 1.888 176.490 174.600 0.005 0.000 1.029 241 S CA 1.045 59.243 58.200 -0.002 0.000 0.978 241 S CB -0.224 62.981 63.200 0.008 0.000 0.833 241 S HN 0.641 nan 8.310 nan 0.000 0.466 242 Q N -0.086 119.727 119.800 0.023 0.000 2.437 242 Q HA 0.134 4.474 4.340 -0.000 0.000 0.210 242 Q C 1.136 177.132 176.000 -0.007 0.000 0.972 242 Q CA 0.588 56.396 55.803 0.008 0.000 0.903 242 Q CB -0.191 28.552 28.738 0.009 0.000 0.967 242 Q HN 0.754 nan 8.270 nan 0.000 0.486 243 G N -0.334 108.464 108.800 -0.004 0.000 2.207 243 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 243 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 243 G C 0.292 175.183 174.900 -0.015 0.000 1.053 243 G CA -0.112 44.987 45.100 -0.002 0.000 0.764 243 G HN 0.476 nan 8.290 nan 0.000 0.495 244 G N -0.784 108.004 108.800 -0.020 0.000 3.277 244 G HA2 0.471 4.431 3.960 -0.000 0.000 0.243 244 G HA3 0.471 4.431 3.960 -0.000 0.000 0.243 244 G C 0.373 175.243 174.900 -0.051 0.000 1.107 244 G CA -0.104 44.975 45.100 -0.035 0.000 0.771 244 G HN 0.435 nan 8.290 nan 0.000 0.544 245 I N 1.950 122.469 120.570 -0.084 0.000 2.371 245 I HA 0.256 4.426 4.170 -0.000 0.000 0.282 245 I C 0.218 176.315 176.117 -0.034 0.000 1.031 245 I CA -0.901 60.293 61.300 -0.176 0.000 1.180 245 I CB 0.818 38.668 38.000 -0.251 0.000 1.336 245 I HN -0.053 nan 8.210 nan 0.000 0.467 246 S N 4.907 120.641 115.700 0.057 0.000 2.533 246 S HA 0.096 4.566 4.470 -0.000 0.000 0.282 246 S C 1.159 175.870 174.600 0.185 0.000 1.304 246 S CA -0.456 57.825 58.200 0.135 0.000 1.063 246 S CB 0.511 63.811 63.200 0.168 0.000 0.881 246 S HN 0.540 nan 8.310 nan 0.000 0.493 247 L N 7.178 128.482 121.223 0.136 0.000 2.046 247 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 247 L C 1.758 178.720 176.870 0.153 0.000 1.077 247 L CA 1.945 56.859 54.840 0.124 0.000 0.747 247 L CB -0.546 41.572 42.059 0.100 0.000 0.896 247 L HN 0.631 nan 8.230 nan 0.000 0.432 248 V N -0.426 119.580 119.914 0.153 0.000 2.326 248 V HA -0.103 4.017 4.120 -0.000 0.000 0.237 248 V C 1.953 178.142 176.094 0.158 0.000 1.044 248 V CA 1.495 63.884 62.300 0.148 0.000 1.035 248 V CB -0.827 31.080 31.823 0.140 0.000 0.675 248 V HN 0.350 nan 8.190 nan 0.000 0.470 249 D N -0.886 119.613 120.400 0.165 0.000 2.389 249 D HA -0.145 4.495 4.640 -0.000 0.000 0.221 249 D C 1.340 177.784 176.300 0.240 0.000 0.974 249 D CA 1.513 55.616 54.000 0.172 0.000 0.923 249 D CB 0.150 41.042 40.800 0.153 0.000 0.892 249 D HN 0.538 nan 8.370 nan 0.000 0.518 250 F N -0.571 119.435 119.950 0.094 0.000 2.017 250 F HA 0.169 4.696 4.527 -0.000 0.000 0.245 250 F C 1.817 177.686 175.800 0.115 0.000 1.060 250 F CA -0.260 57.801 58.000 0.102 0.000 1.231 250 F CB -0.314 38.740 39.000 0.090 0.000 1.527 250 F HN -0.308 nan 8.300 nan 0.000 0.636 251 L N 0.678 122.115 121.223 0.357 0.000 2.079 251 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 251 L C 2.181 179.150 176.870 0.166 0.000 1.081 251 L CA 1.237 56.221 54.840 0.240 0.000 0.752 251 L CB -0.425 41.813 42.059 0.298 0.000 0.896 251 L HN 0.367 nan 8.230 nan 0.000 0.433 252 M N -1.354 118.336 119.600 0.151 0.000 2.299 252 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 252 M C 2.281 178.613 176.300 0.054 0.000 1.095 252 M CA 1.210 56.584 55.300 0.124 0.000 1.165 252 M CB -1.111 31.566 32.600 0.127 0.000 1.349 252 M HN 0.153 nan 8.290 nan 0.000 0.446 253 R N 0.897 121.431 120.500 0.057 0.000 2.170 253 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 253 R C 2.136 178.442 176.300 0.010 0.000 1.145 253 R CA 1.688 57.818 56.100 0.049 0.000 0.984 253 R CB -0.110 30.232 30.300 0.070 0.000 0.869 253 R HN 0.301 nan 8.270 nan 0.000 0.455 254 K N 0.025 120.375 120.400 -0.083 0.000 2.025 254 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 254 K C 1.461 177.912 176.600 -0.249 0.000 1.049 254 K CA 1.468 57.649 56.287 -0.177 0.000 0.933 254 K CB 0.176 32.456 32.500 -0.367 0.000 0.714 254 K HN 0.147 nan 8.250 nan 0.000 0.438 255 E N 0.311 120.415 120.200 -0.160 0.000 2.385 255 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 255 E C 1.809 178.418 176.600 0.016 0.000 1.013 255 E CA 0.530 56.850 56.400 -0.133 0.000 0.866 255 E CB 0.335 29.937 29.700 -0.164 0.000 0.832 255 E HN 0.376 nan 8.360 nan 0.000 0.500 256 L N -0.412 120.834 121.223 0.037 0.000 2.556 256 L HA 0.214 4.554 4.340 -0.000 0.000 0.226 256 L C 1.771 178.712 176.870 0.118 0.000 1.089 256 L CA 0.311 55.227 54.840 0.127 0.000 0.864 256 L CB 0.052 42.169 42.059 0.096 0.000 1.067 256 L HN 0.043 nan 8.230 nan 0.000 0.477 257 G N 0.231 109.064 108.800 0.055 0.000 3.142 257 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.178 257 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.178 257 G C 1.075 176.010 174.900 0.057 0.000 1.941 257 G CA 0.651 45.795 45.100 0.074 0.000 0.902 257 G HN 0.253 nan 8.290 nan 0.000 0.517 258 Y N 0.444 120.692 120.300 -0.087 0.000 2.181 258 Y HA 0.056 4.606 4.550 -0.000 0.000 0.288 258 Y C 2.464 178.240 175.900 -0.207 0.000 1.146 258 Y CA 1.305 59.318 58.100 -0.146 0.000 1.164 258 Y CB -0.704 37.663 38.460 -0.156 0.000 0.982 258 Y HN 0.152 nan 8.280 nan 0.000 0.515 259 I N 0.468 120.617 120.570 -0.701 0.000 2.335 259 I HA -0.335 3.835 4.170 -0.000 0.000 0.251 259 I C 2.706 178.601 176.117 -0.369 0.000 1.129 259 I CA 2.111 63.033 61.300 -0.630 0.000 1.402 259 I CB -0.632 36.988 38.000 -0.634 0.000 1.069 259 I HN 0.490 nan 8.210 nan 0.000 0.424 260 H N 1.028 119.874 119.070 -0.374 0.000 2.436 260 H HA -0.078 4.478 4.556 -0.000 0.000 0.294 260 H C 2.143 177.288 175.328 -0.305 0.000 1.048 260 H CA 0.797 56.617 56.048 -0.380 0.000 1.353 260 H CB 0.354 29.949 29.762 -0.280 0.000 1.414 260 H HN 0.209 nan 8.280 nan 0.000 0.536 261 K N 0.410 120.695 120.400 -0.192 0.000 2.148 261 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 261 K C 2.086 178.536 176.600 -0.250 0.000 1.050 261 K CA 0.705 56.869 56.287 -0.206 0.000 0.942 261 K CB 0.120 32.555 32.500 -0.109 0.000 0.724 261 K HN 0.296 nan 8.250 nan 0.000 0.446 262 L N 0.419 121.406 121.223 -0.394 0.000 2.362 262 L HA -0.154 4.186 4.340 -0.000 0.000 0.219 262 L C 1.981 178.638 176.870 -0.354 0.000 1.134 262 L CA 0.572 55.057 54.840 -0.592 0.000 0.807 262 L CB -0.140 41.409 42.059 -0.850 0.000 0.927 262 L HN 0.021 nan 8.230 nan 0.000 0.447 263 V N -0.658 119.084 119.914 -0.287 0.000 2.391 263 V HA -0.073 4.047 4.120 -0.000 0.000 0.237 263 V C 2.196 178.186 176.094 -0.174 0.000 1.046 263 V CA 1.237 63.411 62.300 -0.211 0.000 1.053 263 V CB -0.145 31.551 31.823 -0.211 0.000 0.704 263 V HN 0.328 nan 8.190 nan 0.000 0.475 264 R N -0.304 120.045 120.500 -0.252 0.000 2.265 264 R HA 0.428 4.768 4.340 -0.000 0.000 0.194 264 R C 0.916 177.110 176.300 -0.176 0.000 0.931 264 R CA 0.683 56.641 56.100 -0.238 0.000 1.032 264 R CB 0.574 30.657 30.300 -0.363 0.000 0.980 264 R HN 0.587 nan 8.270 nan 0.000 0.497 265 G N 0.587 109.298 108.800 -0.148 0.000 2.610 265 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.304 265 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.304 265 G C -0.626 174.229 174.900 -0.075 0.000 1.309 265 G CA -0.524 44.540 45.100 -0.060 0.000 0.906 265 G HN 0.153 nan 8.290 nan 0.000 0.521 266 V N -1.927 117.977 119.914 -0.016 0.000 2.364 266 V HA 0.697 4.817 4.120 -0.000 0.000 0.272 266 V C 0.703 176.794 176.094 -0.005 0.000 1.036 266 V CA -0.771 61.525 62.300 -0.006 0.000 0.880 266 V CB 1.179 33.026 31.823 0.041 0.000 0.991 266 V HN 1.486 nan 8.190 nan 0.000 0.460 267 L N 6.585 127.792 121.223 -0.026 0.000 2.500 267 L HA 0.463 4.803 4.340 -0.000 0.000 0.272 267 L C 0.818 177.747 176.870 0.098 0.000 1.149 267 L CA 1.095 55.940 54.840 0.008 0.000 0.897 267 L CB 0.439 42.476 42.059 -0.036 0.000 1.178 267 L HN 1.104 nan 8.230 nan 0.000 0.473 268 T N 1.783 116.456 114.554 0.199 0.000 2.910 268 T HA 0.476 4.826 4.350 -0.000 0.000 0.279 268 T C 0.261 175.173 174.700 0.353 0.000 0.989 268 T CA -0.989 61.255 62.100 0.240 0.000 0.968 268 T CB 0.731 69.737 68.868 0.230 0.000 1.135 268 T HN 0.548 nan 8.240 nan 0.000 0.562 269 N N 1.643 120.433 118.700 0.151 0.000 2.518 269 N HA 0.156 4.896 4.740 -0.000 0.000 0.283 269 N C -0.504 174.767 175.510 -0.398 0.000 1.119 269 N CA -0.388 52.636 53.050 -0.044 0.000 0.983 269 N CB 0.659 39.110 38.487 -0.060 0.000 1.139 269 N HN 0.687 nan 8.380 nan 0.000 0.465 270 D N 1.120 120.887 120.400 -1.054 0.000 2.518 270 D HA -0.086 4.554 4.640 -0.000 0.000 0.270 270 D C -0.105 175.894 176.300 -0.502 0.000 1.338 270 D CA 0.801 54.011 54.000 -1.316 0.000 0.983 270 D CB 0.245 40.305 40.800 -1.233 0.000 1.126 270 D HN 0.565 nan 8.370 nan 0.000 0.543 271 D N 1.421 121.649 120.400 -0.286 0.000 2.315 271 D HA 0.008 4.648 4.640 -0.000 0.000 0.272 271 D C 0.421 176.705 176.300 -0.026 0.000 1.238 271 D CA -0.406 53.528 54.000 -0.111 0.000 1.160 271 D CB 0.134 40.899 40.800 -0.058 0.000 1.780 271 D HN 0.271 nan 8.370 nan 0.000 0.484 272 R N 1.941 122.463 120.500 0.036 0.000 2.562 272 R HA 0.451 4.791 4.340 -0.000 0.000 0.298 272 R C -2.870 173.489 176.300 0.099 0.000 0.961 272 R CA -1.727 54.413 56.100 0.065 0.000 0.881 272 R CB 0.811 31.151 30.300 0.066 0.000 1.159 272 R HN -0.107 nan 8.270 nan 0.000 0.450 273 P HA 0.020 nan 4.420 nan 0.000 0.262 273 P C 0.470 177.803 177.300 0.054 0.000 1.182 273 P CA 1.215 64.383 63.100 0.114 0.000 0.761 273 P CB 0.578 32.340 31.700 0.104 0.000 0.795 274 G N 2.670 111.478 108.800 0.013 0.000 2.316 274 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.203 274 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.203 274 G C 0.695 175.167 174.900 -0.713 0.000 0.999 274 G CA 0.069 44.820 45.100 -0.581 0.000 0.649 274 G HN 0.502 nan 8.290 nan 0.000 0.489 275 W N 2.429 123.557 121.300 -0.287 0.000 2.296 275 W HA -0.147 4.513 4.660 0.000 0.000 0.296 275 W C 2.484 178.930 176.519 -0.121 0.000 1.220 275 W CA 2.883 60.132 57.345 -0.160 0.000 1.223 275 W CB -0.224 29.226 29.460 -0.016 0.000 1.139 275 W HN 0.609 nan 8.180 nan 0.000 0.534 276 W N 0.305 121.626 121.300 0.034 0.000 2.374 276 W HA -0.187 4.473 4.660 0.000 0.000 0.288 276 W C 1.633 178.107 176.519 -0.076 0.000 1.218 276 W CA 1.676 59.029 57.345 0.012 0.000 1.245 276 W CB -1.782 27.724 29.460 0.075 0.000 1.126 276 W HN 0.335 nan 8.180 nan 0.000 0.545 277 H N -0.375 118.208 119.070 -0.812 0.000 2.639 277 H HA 0.342 4.898 4.556 0.000 0.000 0.267 277 H C 0.002 175.039 175.328 -0.484 0.000 0.958 277 H CA 0.473 56.077 56.048 -0.740 0.000 1.221 277 H CB -0.603 28.450 29.762 -1.183 0.000 1.446 277 H HN -0.125 nan 8.280 nan 0.000 0.512 278 S N 2.686 118.181 115.700 -0.342 0.000 2.279 278 S HA 0.198 4.668 4.470 -0.000 0.000 0.176 278 S C -2.261 172.063 174.600 -0.460 0.000 1.554 278 S CA -0.913 57.151 58.200 -0.227 0.000 1.242 278 S CB 1.859 65.046 63.200 -0.022 0.000 1.163 278 S HN 0.276 nan 8.310 nan 0.000 0.449 279 P HA -0.017 nan 4.420 nan 0.000 0.233 279 P C -0.114 176.918 177.300 -0.447 0.000 1.167 279 P CA 0.404 62.837 63.100 -1.113 0.000 0.770 279 P CB 0.329 31.250 31.700 -1.300 0.000 0.837 280 R N 0.059 120.393 120.500 -0.277 0.000 2.599 280 R HA 0.566 4.906 4.340 -0.000 0.000 0.295 280 R C -0.418 175.831 176.300 -0.085 0.000 0.963 280 R CA -1.003 55.014 56.100 -0.139 0.000 0.883 280 R CB 2.167 32.379 30.300 -0.147 0.000 1.171 280 R HN 0.005 nan 8.270 nan 0.000 0.450 281 I N 3.405 123.959 120.570 -0.028 0.000 2.304 281 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 281 I C -0.132 175.997 176.117 0.020 0.000 1.018 281 I CA -0.015 61.287 61.300 0.003 0.000 1.260 281 I CB 0.453 38.474 38.000 0.036 0.000 1.390 281 I HN 0.702 nan 8.210 nan 0.000 0.475 282 E N 7.637 127.848 120.200 0.018 0.000 2.320 282 E HA 0.680 5.030 4.350 -0.000 0.000 0.264 282 E C -1.597 175.044 176.600 0.068 0.000 0.923 282 E CA -1.121 55.314 56.400 0.058 0.000 0.796 282 E CB 2.338 32.048 29.700 0.017 0.000 1.262 282 E HN 0.423 nan 8.360 nan 0.000 0.428 283 K N 0.467 120.948 120.400 0.135 0.000 2.556 283 K HA 0.408 4.728 4.320 -0.000 0.000 0.274 283 K C -2.790 173.852 176.600 0.070 0.000 0.966 283 K CA -2.213 54.089 56.287 0.025 0.000 0.865 283 K CB 2.416 34.847 32.500 -0.115 0.000 1.444 283 K HN 0.450 nan 8.250 nan 0.000 0.433 284 P HA 0.140 nan 4.420 nan 0.000 0.275 284 P C -1.328 175.974 177.300 0.002 0.000 1.227 284 P CA -0.189 62.955 63.100 0.072 0.000 0.781 284 P CB 0.447 32.160 31.700 0.022 0.000 0.906 285 W N 1.411 122.788 121.300 0.128 0.000 2.761 285 W HA 0.490 5.150 4.660 -0.000 0.000 0.340 285 W C -0.922 175.750 176.519 0.255 0.000 1.072 285 W CA -0.497 56.988 57.345 0.232 0.000 1.215 285 W CB 1.906 31.596 29.460 0.382 0.000 1.420 285 W HN 0.007 nan 8.180 nan 0.000 0.519 286 V N 3.007 123.130 119.914 0.348 0.000 2.483 286 V HA 0.766 4.886 4.120 -0.000 0.000 0.297 286 V C -0.321 175.700 176.094 -0.121 0.000 1.027 286 V CA -1.024 61.340 62.300 0.106 0.000 0.855 286 V CB 1.235 33.083 31.823 0.041 0.000 0.995 286 V HN 0.623 nan 8.190 nan 0.000 0.424 287 A N 4.258 126.843 122.820 -0.392 0.000 2.304 287 A HA 0.939 5.259 4.320 -0.000 0.000 0.323 287 A C -0.021 177.374 177.584 -0.314 0.000 1.195 287 A CA -0.255 51.434 52.037 -0.581 0.000 0.826 287 A CB 1.267 19.597 19.000 -1.116 0.000 1.184 287 A HN 1.300 nan 8.150 nan 0.000 0.496 288 A N 2.056 124.740 122.820 -0.227 0.000 2.331 288 A HA 0.654 4.974 4.320 -0.000 0.000 0.320 288 A C -0.726 176.691 177.584 -0.279 0.000 1.138 288 A CA -0.450 51.478 52.037 -0.182 0.000 0.790 288 A CB 1.078 20.029 19.000 -0.083 0.000 1.206 288 A HN 1.085 nan 8.150 nan 0.000 0.470 289 V N 3.299 123.028 119.914 -0.309 0.000 2.347 289 V HA 0.349 4.469 4.120 -0.000 0.000 0.280 289 V C -0.763 175.208 176.094 -0.204 0.000 1.021 289 V CA -0.652 61.414 62.300 -0.391 0.000 0.847 289 V CB 1.322 32.916 31.823 -0.381 0.000 0.990 289 V HN 0.857 nan 8.190 nan 0.000 0.444 290 D N 3.782 124.087 120.400 -0.159 0.000 2.278 290 D HA 0.533 5.173 4.640 -0.000 0.000 0.245 290 D C 1.008 177.148 176.300 -0.266 0.000 1.052 290 D CA 0.580 54.489 54.000 -0.151 0.000 0.834 290 D CB 2.206 42.943 40.800 -0.105 0.000 1.194 290 D HN 0.730 nan 8.370 nan 0.000 0.481 291 G N 2.776 111.431 108.800 -0.241 0.000 4.825 291 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.224 291 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.224 291 G C 0.152 174.836 174.900 -0.360 0.000 1.356 291 G CA 0.995 45.897 45.100 -0.330 0.000 0.966 291 G HN 0.749 nan 8.290 nan 0.000 0.690 292 F N -2.643 117.048 119.950 -0.432 0.000 2.765 292 F HA 0.685 5.212 4.527 -0.000 0.000 0.313 292 F C -0.563 174.976 175.800 -0.435 0.000 1.136 292 F CA -0.706 56.838 58.000 -0.760 0.000 0.952 292 F CB 0.919 39.208 39.000 -1.185 0.000 1.268 292 F HN 1.153 nan 8.300 nan 0.000 0.441 293 A N 3.255 125.970 122.820 -0.176 0.000 2.536 293 A HA 0.777 5.097 4.320 -0.000 0.000 0.329 293 A C -1.178 176.458 177.584 0.087 0.000 1.321 293 A CA -0.448 51.686 52.037 0.161 0.000 0.804 293 A CB 0.064 19.205 19.000 0.236 0.000 1.126 293 A HN 0.704 nan 8.150 nan 0.000 0.480 294 I N 2.290 122.929 120.570 0.115 0.000 2.377 294 I HA 0.570 4.740 4.170 -0.000 0.000 0.293 294 I C 1.206 177.369 176.117 0.077 0.000 0.987 294 I CA 0.421 61.745 61.300 0.039 0.000 1.185 294 I CB 1.671 39.637 38.000 -0.056 0.000 1.341 294 I HN 0.953 nan 8.210 nan 0.000 0.455 295 G N 4.506 113.345 108.800 0.066 0.000 2.561 295 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.289 295 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.289 295 G C 0.975 175.925 174.900 0.083 0.000 1.169 295 G CA 0.233 45.374 45.100 0.069 0.000 0.980 295 G HN 0.932 nan 8.290 nan 0.000 0.550 296 G N 0.662 109.514 108.800 0.086 0.000 2.479 296 G HA2 0.206 4.166 3.960 -0.000 0.000 0.220 296 G HA3 0.206 4.166 3.960 -0.000 0.000 0.220 296 G C 1.839 176.800 174.900 0.102 0.000 1.115 296 G CA 2.086 47.232 45.100 0.077 0.000 0.757 296 G HN 1.780 nan 8.290 nan 0.000 0.560 297 G N 1.070 109.948 108.800 0.130 0.000 2.421 297 G HA2 0.040 4.000 3.960 -0.000 0.000 0.216 297 G HA3 0.040 4.000 3.960 -0.000 0.000 0.216 297 G C 2.028 177.170 174.900 0.403 0.000 1.171 297 G CA 1.484 46.732 45.100 0.247 0.000 0.775 297 G HN 0.600 nan 8.290 nan 0.000 0.543 298 A N 0.510 123.477 122.820 0.244 0.000 1.898 298 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 298 A C 2.339 179.960 177.584 0.063 0.000 1.181 298 A CA 1.816 53.956 52.037 0.171 0.000 0.620 298 A CB -0.460 18.617 19.000 0.128 0.000 0.819 298 A HN 0.459 nan 8.150 nan 0.000 0.442 299 Q N -0.155 119.667 119.800 0.036 0.000 2.112 299 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 299 Q C 1.963 177.926 176.000 -0.061 0.000 0.987 299 Q CA 1.654 57.429 55.803 -0.046 0.000 0.858 299 Q CB -0.509 28.203 28.738 -0.044 0.000 0.905 299 Q HN 0.678 nan 8.270 nan 0.000 0.420 300 L N 0.355 121.608 121.223 0.051 0.000 2.201 300 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 300 L C 2.048 179.047 176.870 0.215 0.000 1.105 300 L CA 0.611 55.507 54.840 0.093 0.000 0.775 300 L CB -0.346 41.911 42.059 0.330 0.000 0.913 300 L HN 0.250 nan 8.230 nan 0.000 0.440 301 L N -0.101 121.248 121.223 0.211 0.000 2.633 301 L HA -0.130 4.210 4.340 -0.000 0.000 0.235 301 L C 1.513 178.360 176.870 -0.038 0.000 1.163 301 L CA 0.527 55.472 54.840 0.174 0.000 0.859 301 L CB -0.322 41.706 42.059 -0.053 0.000 0.973 301 L HN 0.341 nan 8.230 nan 0.000 0.451 302 L N -1.080 120.006 121.223 -0.227 0.000 2.685 302 L HA 0.108 4.448 4.340 -0.000 0.000 0.233 302 L C 0.911 177.727 176.870 -0.091 0.000 1.173 302 L CA -0.189 54.347 54.840 -0.506 0.000 0.961 302 L CB 0.252 41.892 42.059 -0.698 0.000 1.217 302 L HN 0.021 nan 8.230 nan 0.000 0.478 303 V N -2.132 117.720 119.914 -0.103 0.000 3.392 303 V HA 0.187 4.307 4.120 -0.000 0.000 0.294 303 V C 0.276 176.191 176.094 -0.298 0.000 1.561 303 V CA -0.181 61.980 62.300 -0.231 0.000 1.056 303 V CB 0.151 31.710 31.823 -0.440 0.000 0.882 303 V HN 0.049 nan 8.190 nan 0.000 0.440 304 F N 0.949 120.921 119.950 0.037 0.000 2.380 304 F HA 0.423 4.950 4.527 0.000 0.000 0.321 304 F C 1.471 177.327 175.800 0.094 0.000 1.103 304 F CA -0.442 57.605 58.000 0.080 0.000 1.067 304 F CB 0.593 39.648 39.000 0.092 0.000 1.265 304 F HN -0.087 nan 8.300 nan 0.000 0.517 305 D N 0.029 120.625 120.400 0.326 0.000 2.323 305 D HA 0.006 4.646 4.640 -0.000 0.000 0.209 305 D C 0.417 176.806 176.300 0.149 0.000 0.973 305 D CA 0.903 55.015 54.000 0.187 0.000 0.874 305 D CB 0.274 41.170 40.800 0.160 0.000 0.930 305 D HN 0.207 nan 8.370 nan 0.000 0.521 306 R N 0.062 120.666 120.500 0.174 0.000 2.523 306 R HA 0.307 4.647 4.340 -0.000 0.000 0.278 306 R C -2.083 174.247 176.300 0.050 0.000 1.150 306 R CA -0.323 55.831 56.100 0.090 0.000 0.987 306 R CB 1.243 31.577 30.300 0.057 0.000 1.232 306 R HN -0.301 nan 8.270 nan 0.000 0.424 307 V N 6.019 125.944 119.914 0.017 0.000 2.448 307 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 307 V C -0.389 175.672 176.094 -0.056 0.000 1.025 307 V CA -0.670 61.598 62.300 -0.054 0.000 0.859 307 V CB 1.652 33.440 31.823 -0.059 0.000 0.988 307 V HN 0.631 nan 8.190 nan 0.000 0.431 308 L N 3.898 125.070 121.223 -0.085 0.000 2.342 308 L HA 0.989 5.329 4.340 -0.000 0.000 0.271 308 L C -0.098 176.735 176.870 -0.061 0.000 1.008 308 L CA -0.431 54.377 54.840 -0.053 0.000 0.818 308 L CB 2.153 44.182 42.059 -0.050 0.000 1.296 308 L HN 0.769 nan 8.230 nan 0.000 0.427 309 A N 0.800 123.613 122.820 -0.012 0.000 2.540 309 A HA 0.636 4.956 4.320 -0.000 0.000 0.297 309 A C -0.602 176.989 177.584 0.011 0.000 1.056 309 A CA -0.561 51.475 52.037 -0.002 0.000 0.700 309 A CB 1.621 20.693 19.000 0.121 0.000 1.280 309 A HN 0.629 nan 8.150 nan 0.000 0.398 310 S N 1.295 116.985 115.700 -0.017 0.000 2.576 310 S HA 0.324 4.794 4.470 -0.000 0.000 0.276 310 S C 1.281 175.902 174.600 0.034 0.000 1.339 310 S CA 0.192 58.395 58.200 0.005 0.000 1.039 310 S CB 0.950 64.146 63.200 -0.008 0.000 0.902 310 S HN 1.767 nan 8.310 nan 0.000 0.516 311 S N 0.677 116.411 115.700 0.056 0.000 2.462 311 S HA -0.187 4.283 4.470 -0.000 0.000 0.243 311 S C 1.140 175.812 174.600 0.120 0.000 1.003 311 S CA 1.061 59.314 58.200 0.088 0.000 0.970 311 S CB -0.719 62.526 63.200 0.075 0.000 0.762 311 S HN 0.935 nan 8.310 nan 0.000 0.510 312 D N 1.616 122.080 120.400 0.106 0.000 2.340 312 D HA 0.319 4.959 4.640 -0.000 0.000 0.220 312 D C 0.671 177.089 176.300 0.196 0.000 1.039 312 D CA 0.302 54.401 54.000 0.165 0.000 0.866 312 D CB -0.209 40.675 40.800 0.138 0.000 0.913 312 D HN 0.513 nan 8.370 nan 0.000 0.523 313 A N 0.080 122.939 122.820 0.065 0.000 2.246 313 A HA 0.628 4.948 4.320 -0.000 0.000 0.291 313 A C -0.580 176.877 177.584 -0.213 0.000 1.103 313 A CA -0.576 51.372 52.037 -0.149 0.000 0.844 313 A CB 0.438 19.220 19.000 -0.363 0.000 1.136 313 A HN 0.406 nan 8.150 nan 0.000 0.500 314 Y N -3.722 116.097 120.300 -0.802 0.000 2.750 314 Y HA 0.755 5.305 4.550 -0.000 0.000 0.335 314 Y C -1.655 173.440 175.900 -1.343 0.000 1.252 314 Y CA -2.029 55.454 58.100 -1.028 0.000 1.064 314 Y CB 0.784 38.506 38.460 -1.229 0.000 1.321 314 Y HN 0.521 nan 8.280 nan 0.000 0.451 315 F N 0.837 120.714 119.950 -0.121 0.000 2.601 315 F HA 0.846 5.373 4.527 -0.000 0.000 0.309 315 F C -0.313 175.466 175.800 -0.035 0.000 1.089 315 F CA -0.496 57.431 58.000 -0.122 0.000 0.940 315 F CB 2.379 41.313 39.000 -0.110 0.000 1.273 315 F HN 0.868 nan 8.300 nan 0.000 0.450 316 S N 0.637 116.420 115.700 0.138 0.000 2.615 316 S HA 0.766 5.236 4.470 -0.000 0.000 0.268 316 S C -1.491 173.143 174.600 0.058 0.000 1.146 316 S CA -1.007 57.242 58.200 0.082 0.000 0.818 316 S CB 1.550 64.782 63.200 0.053 0.000 1.111 316 S HN 0.693 nan 8.310 nan 0.000 0.465 317 L N 0.465 121.712 121.223 0.040 0.000 3.313 317 L HA 0.391 4.731 4.340 -0.000 0.000 0.320 317 L C -2.115 174.772 176.870 0.028 0.000 1.304 317 L CA -1.263 53.599 54.840 0.036 0.000 0.920 317 L CB 1.187 43.267 42.059 0.034 0.000 1.357 317 L HN 0.512 nan 8.230 nan 0.000 0.602 318 P HA -0.041 nan 4.420 nan 0.000 0.259 318 P C 0.722 178.029 177.300 0.011 0.000 1.307 318 P CA 0.254 63.362 63.100 0.012 0.000 0.768 318 P CB -0.043 31.656 31.700 -0.002 0.000 1.199 319 A N 0.349 123.179 122.820 0.016 0.000 2.618 319 A HA 0.358 4.678 4.320 -0.000 0.000 0.293 319 A C 1.398 178.995 177.584 0.022 0.000 1.413 319 A CA 0.483 52.531 52.037 0.018 0.000 1.074 319 A CB -0.487 18.527 19.000 0.024 0.000 1.087 319 A HN 0.304 nan 8.150 nan 0.000 0.553 320 A N 2.605 125.436 122.820 0.018 0.000 1.988 320 A HA 0.234 4.554 4.320 -0.000 0.000 0.198 320 A C 1.808 179.403 177.584 0.017 0.000 1.507 320 A CA 0.172 52.221 52.037 0.020 0.000 0.901 320 A CB 0.063 19.075 19.000 0.020 0.000 1.007 320 A HN 0.484 nan 8.150 nan 0.000 0.502 321 K N 0.184 120.593 120.400 0.014 0.000 2.361 321 K HA 0.162 4.482 4.320 -0.000 0.000 0.196 321 K C 0.623 177.231 176.600 0.013 0.000 1.039 321 K CA 1.010 57.305 56.287 0.013 0.000 1.001 321 K CB 0.455 32.962 32.500 0.012 0.000 0.795 321 K HN 0.676 nan 8.250 nan 0.000 0.495 322 E N -0.735 119.472 120.200 0.012 0.000 2.614 322 E HA 0.089 4.439 4.350 -0.000 0.000 0.201 322 E C 0.936 177.540 176.600 0.006 0.000 0.889 322 E CA 0.001 56.407 56.400 0.011 0.000 1.564 322 E CB 0.481 30.187 29.700 0.011 0.000 1.623 322 E HN 0.143 nan 8.360 nan 0.000 0.898 323 G N 2.151 110.955 108.800 0.006 0.000 2.590 323 G HA2 0.256 4.216 3.960 -0.000 0.000 0.276 323 G HA3 0.256 4.216 3.960 -0.000 0.000 0.276 323 G C 0.554 175.455 174.900 0.001 0.000 1.337 323 G CA -0.256 44.845 45.100 0.003 0.000 1.030 323 G HN 0.166 nan 8.290 nan 0.000 0.534 324 I N -2.557 118.015 120.570 0.003 0.000 3.674 324 I HA 0.534 4.704 4.170 -0.000 0.000 0.287 324 I C 0.034 176.169 176.117 0.031 0.000 1.270 324 I CA -1.115 60.181 61.300 -0.006 0.000 0.949 324 I CB 0.927 38.915 38.000 -0.020 0.000 1.474 324 I HN 0.226 nan 8.210 nan 0.000 0.636 325 I N 2.558 123.150 120.570 0.038 0.000 2.416 325 I HA 0.188 4.358 4.170 -0.000 0.000 0.288 325 I C -1.831 174.412 176.117 0.210 0.000 1.051 325 I CA -1.553 59.823 61.300 0.126 0.000 1.375 325 I CB 0.640 38.737 38.000 0.162 0.000 1.407 325 I HN 0.421 nan 8.210 nan 0.000 0.516 326 P HA 0.057 nan 4.420 nan 0.000 0.235 326 P C 0.762 178.154 177.300 0.153 0.000 1.720 326 P CA 0.445 63.632 63.100 0.145 0.000 1.003 326 P CB -0.093 31.658 31.700 0.085 0.000 1.968 327 G N 3.056 112.010 108.800 0.256 0.000 2.622 327 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.307 327 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.307 327 G C 0.792 175.613 174.900 -0.131 0.000 1.226 327 G CA 0.279 45.405 45.100 0.043 0.000 0.997 327 G HN 0.548 nan 8.290 nan 0.000 0.551 328 A N 0.304 123.018 122.820 -0.176 0.000 2.415 328 A HA 0.740 5.060 4.320 -0.000 0.000 0.248 328 A C 2.261 179.702 177.584 -0.238 0.000 1.299 328 A CA 1.280 53.203 52.037 -0.190 0.000 0.899 328 A CB -0.531 18.370 19.000 -0.165 0.000 0.997 328 A HN 2.062 nan 8.150 nan 0.000 0.506 329 A N 1.205 123.950 122.820 -0.124 0.000 1.873 329 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 329 A C 1.731 179.241 177.584 -0.124 0.000 1.186 329 A CA 1.798 53.761 52.037 -0.123 0.000 0.616 329 A CB -0.612 18.354 19.000 -0.057 0.000 0.823 329 A HN 0.544 nan 8.150 nan 0.000 0.442 330 N N -0.337 118.334 118.700 -0.049 0.000 2.334 330 N HA -0.141 4.599 4.740 -0.000 0.000 0.187 330 N C 1.318 176.721 175.510 -0.178 0.000 1.016 330 N CA 1.360 54.400 53.050 -0.017 0.000 0.879 330 N CB -0.330 38.264 38.487 0.178 0.000 0.965 330 N HN 0.514 nan 8.380 nan 0.000 0.438 331 L N -0.283 120.636 121.223 -0.507 0.000 2.249 331 L HA 0.162 4.502 4.340 -0.000 0.000 0.207 331 L C 1.659 178.357 176.870 -0.286 0.000 1.090 331 L CA 1.221 55.680 54.840 -0.635 0.000 0.802 331 L CB 0.167 41.483 42.059 -1.239 0.000 0.947 331 L HN -0.039 nan 8.230 nan 0.000 0.453 332 R N -1.513 118.861 120.500 -0.211 0.000 2.167 332 R HA 0.150 4.490 4.340 -0.000 0.000 0.201 332 R C 1.948 178.280 176.300 0.054 0.000 1.024 332 R CA 0.577 56.646 56.100 -0.051 0.000 1.053 332 R CB -0.496 29.757 30.300 -0.078 0.000 0.987 332 R HN 0.164 nan 8.270 nan 0.000 0.493 333 L N 1.443 122.625 121.223 -0.070 0.000 2.189 333 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 333 L C 1.959 178.869 176.870 0.067 0.000 1.097 333 L CA 1.892 56.702 54.840 -0.049 0.000 0.764 333 L CB -0.807 41.203 42.059 -0.081 0.000 0.900 333 L HN 0.261 nan 8.230 nan 0.000 0.436 334 G N -0.030 108.795 108.800 0.041 0.000 2.480 334 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.216 334 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.216 334 G C 1.563 176.503 174.900 0.067 0.000 1.200 334 G CA 0.855 45.979 45.100 0.040 0.000 0.782 334 G HN 0.599 nan 8.290 nan 0.000 0.554 335 R N -0.725 119.823 120.500 0.081 0.000 2.293 335 R HA 0.148 4.488 4.340 -0.000 0.000 0.219 335 R C 1.961 178.253 176.300 -0.014 0.000 1.091 335 R CA 1.175 57.285 56.100 0.017 0.000 1.004 335 R CB -0.495 29.784 30.300 -0.036 0.000 0.865 335 R HN 0.424 nan 8.270 nan 0.000 0.469 336 F N 0.511 120.426 119.950 -0.060 0.000 2.317 336 F HA 0.284 4.811 4.527 -0.000 0.000 0.290 336 F C 1.739 177.509 175.800 -0.050 0.000 1.075 336 F CA 0.697 58.661 58.000 -0.060 0.000 1.380 336 F CB 0.428 39.383 39.000 -0.075 0.000 1.093 336 F HN 0.149 nan 8.300 nan 0.000 0.524 337 A N 0.101 123.011 122.820 0.150 0.000 2.663 337 A HA 0.572 4.892 4.320 -0.000 0.000 0.273 337 A C 0.585 178.196 177.584 0.045 0.000 0.932 337 A CA 0.138 52.220 52.037 0.074 0.000 1.055 337 A CB -0.800 18.237 19.000 0.062 0.000 1.206 337 A HN 0.495 nan 8.150 nan 0.000 0.485 338 G N 0.988 109.809 108.800 0.036 0.000 2.901 338 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.654 338 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.654 338 G C -1.034 173.880 174.900 0.022 0.000 1.550 338 G CA -0.150 44.963 45.100 0.022 0.000 0.978 338 G HN 0.289 nan 8.290 nan 0.000 0.566 339 P HA -0.091 nan 4.420 nan 0.000 0.221 339 P C 1.696 179.007 177.300 0.019 0.000 1.150 339 P CA 0.904 64.014 63.100 0.017 0.000 0.800 339 P CB 0.114 31.823 31.700 0.014 0.000 0.787 340 R N 0.171 120.682 120.500 0.019 0.000 2.064 340 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 340 R C 2.437 178.751 176.300 0.024 0.000 1.144 340 R CA 1.041 57.153 56.100 0.020 0.000 0.932 340 R CB -1.661 28.650 30.300 0.019 0.000 0.833 340 R HN 0.117 nan 8.270 nan 0.000 0.429 341 V N 0.974 120.903 119.914 0.026 0.000 2.295 341 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 341 V C 2.568 178.678 176.094 0.026 0.000 1.049 341 V CA 2.109 64.427 62.300 0.030 0.000 1.024 341 V CB -0.830 31.013 31.823 0.033 0.000 0.648 341 V HN 0.444 nan 8.190 nan 0.000 0.447 342 S N -0.009 115.705 115.700 0.023 0.000 2.393 342 S HA -0.353 4.117 4.470 -0.000 0.000 0.234 342 S C 2.146 176.758 174.600 0.019 0.000 1.064 342 S CA 2.445 60.656 58.200 0.018 0.000 1.088 342 S CB -0.317 62.894 63.200 0.018 0.000 0.939 342 S HN 0.628 nan 8.310 nan 0.000 0.448 343 R N 0.080 120.593 120.500 0.023 0.000 2.161 343 R HA 0.101 4.441 4.340 -0.000 0.000 0.213 343 R C 2.764 179.079 176.300 0.026 0.000 1.055 343 R CA 1.197 57.312 56.100 0.025 0.000 0.996 343 R CB -0.200 30.114 30.300 0.024 0.000 0.901 343 R HN 0.629 nan 8.270 nan 0.000 0.456 344 Q N 0.087 119.903 119.800 0.028 0.000 2.167 344 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 344 Q C 2.077 178.097 176.000 0.032 0.000 0.970 344 Q CA 1.331 57.153 55.803 0.031 0.000 0.855 344 Q CB 0.032 28.791 28.738 0.036 0.000 0.911 344 Q HN 0.157 nan 8.270 nan 0.000 0.438 345 V N 1.019 120.951 119.914 0.030 0.000 2.239 345 V HA -0.218 3.902 4.120 -0.000 0.000 0.242 345 V C 2.144 178.254 176.094 0.027 0.000 1.038 345 V CA 1.556 63.873 62.300 0.029 0.000 1.002 345 V CB -0.399 31.436 31.823 0.020 0.000 0.641 345 V HN 0.299 nan 8.190 nan 0.000 0.449 346 I N -0.688 119.897 120.570 0.025 0.000 2.406 346 I HA -0.145 4.025 4.170 -0.000 0.000 0.249 346 I C 2.190 178.326 176.117 0.031 0.000 1.122 346 I CA 1.326 62.643 61.300 0.029 0.000 1.431 346 I CB -0.094 37.925 38.000 0.032 0.000 1.087 346 I HN 0.249 nan 8.210 nan 0.000 0.424 347 L N -0.222 121.019 121.223 0.029 0.000 2.145 347 L HA -0.002 4.338 4.340 -0.000 0.000 0.201 347 L C 2.086 178.971 176.870 0.024 0.000 1.075 347 L CA 0.838 55.694 54.840 0.027 0.000 0.773 347 L CB -0.274 41.801 42.059 0.026 0.000 0.936 347 L HN 0.132 nan 8.230 nan 0.000 0.451 348 E N 0.236 120.451 120.200 0.025 0.000 2.479 348 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 348 E C 1.071 177.685 176.600 0.024 0.000 1.049 348 E CA 0.679 57.093 56.400 0.024 0.000 0.870 348 E CB 0.526 30.241 29.700 0.025 0.000 0.944 348 E HN 0.478 nan 8.360 nan 0.000 0.492 349 G N 3.070 111.885 108.800 0.024 0.000 2.221 349 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.265 349 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.265 349 G C 0.286 175.200 174.900 0.024 0.000 1.041 349 G CA 0.705 45.818 45.100 0.022 0.000 0.807 349 G HN 0.280 nan 8.290 nan 0.000 0.502 350 R N 0.139 120.659 120.500 0.033 0.000 2.615 350 R HA 0.565 4.905 4.340 -0.000 0.000 0.270 350 R C 0.643 176.968 176.300 0.041 0.000 1.081 350 R CA -0.215 55.912 56.100 0.045 0.000 1.154 350 R CB 0.371 30.705 30.300 0.056 0.000 1.063 350 R HN 0.545 nan 8.270 nan 0.000 0.519 351 R N 2.592 123.116 120.500 0.039 0.000 2.575 351 R HA 0.374 4.714 4.340 -0.000 0.000 0.293 351 R C -1.244 175.063 176.300 0.011 0.000 0.983 351 R CA -0.879 55.217 56.100 -0.006 0.000 0.887 351 R CB 1.034 31.252 30.300 -0.136 0.000 1.184 351 R HN 0.306 nan 8.270 nan 0.000 0.445 352 I N 2.943 123.566 120.570 0.089 0.000 2.352 352 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 352 I C -0.481 175.754 176.117 0.196 0.000 1.036 352 I CA -0.159 61.257 61.300 0.194 0.000 1.336 352 I CB 0.377 38.501 38.000 0.206 0.000 1.407 352 I HN 0.514 nan 8.210 nan 0.000 0.497 353 W N 5.349 126.777 121.300 0.212 0.000 2.287 353 W HA 0.466 5.126 4.660 0.000 0.000 0.313 353 W C 1.419 178.075 176.519 0.229 0.000 1.267 353 W CA -0.300 57.161 57.345 0.194 0.000 1.201 353 W CB 0.788 30.309 29.460 0.101 0.000 1.196 353 W HN 0.723 nan 8.180 nan 0.000 0.536 354 A N 3.161 126.208 122.820 0.379 0.000 1.985 354 A HA -0.300 4.020 4.320 -0.000 0.000 0.223 354 A C 1.998 179.749 177.584 0.278 0.000 1.189 354 A CA 1.841 54.091 52.037 0.356 0.000 0.658 354 A CB -0.236 18.880 19.000 0.193 0.000 0.820 354 A HN 0.581 nan 8.150 nan 0.000 0.464 355 K N 0.226 120.783 120.400 0.261 0.000 2.356 355 K HA 0.032 4.352 4.320 -0.000 0.000 0.195 355 K C 0.597 177.290 176.600 0.156 0.000 1.037 355 K CA 0.563 56.957 56.287 0.178 0.000 1.014 355 K CB -0.056 32.528 32.500 0.139 0.000 0.815 355 K HN 0.936 nan 8.250 nan 0.000 0.507 356 E N 1.348 121.670 120.200 0.202 0.000 2.383 356 E HA 0.046 4.396 4.350 -0.000 0.000 0.264 356 E C -2.119 174.557 176.600 0.127 0.000 1.050 356 E CA -1.670 54.822 56.400 0.153 0.000 0.896 356 E CB 0.573 30.387 29.700 0.190 0.000 0.982 356 E HN -0.245 nan 8.360 nan 0.000 0.424 357 P HA -0.259 nan 4.420 nan 0.000 0.217 357 P C 0.499 177.842 177.300 0.071 0.000 1.162 357 P CA 1.706 64.847 63.100 0.069 0.000 0.901 357 P CB 0.085 31.816 31.700 0.052 0.000 0.793 358 E N -1.106 119.142 120.200 0.080 0.000 2.501 358 E HA -0.096 4.254 4.350 -0.000 0.000 0.203 358 E C 1.728 178.370 176.600 0.070 0.000 1.072 358 E CA 0.566 57.008 56.400 0.071 0.000 0.885 358 E CB -0.372 29.375 29.700 0.078 0.000 0.813 358 E HN 0.252 nan 8.360 nan 0.000 0.556 359 A N 0.809 123.687 122.820 0.097 0.000 2.119 359 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 359 A C 1.810 179.402 177.584 0.014 0.000 1.152 359 A CA 0.409 52.499 52.037 0.088 0.000 0.708 359 A CB -0.013 19.108 19.000 0.202 0.000 0.805 359 A HN 0.065 nan 8.150 nan 0.000 0.460 360 R N -0.543 119.976 120.500 0.031 0.000 2.313 360 R HA 0.241 4.581 4.340 -0.000 0.000 0.199 360 R C 1.059 177.366 176.300 0.011 0.000 0.958 360 R CA 0.203 56.313 56.100 0.017 0.000 1.047 360 R CB -0.198 30.117 30.300 0.026 0.000 0.955 360 R HN 0.456 nan 8.270 nan 0.000 0.481 361 L N -0.363 120.868 121.223 0.012 0.000 2.446 361 L HA 0.037 4.377 4.340 -0.000 0.000 0.219 361 L C 1.552 178.473 176.870 0.084 0.000 1.116 361 L CA 0.768 55.633 54.840 0.042 0.000 0.844 361 L CB 0.139 42.225 42.059 0.046 0.000 0.970 361 L HN 0.198 nan 8.230 nan 0.000 0.457 362 L N -2.039 119.161 121.223 -0.038 0.000 2.526 362 L HA 0.201 4.541 4.340 -0.000 0.000 0.210 362 L C 0.505 177.276 176.870 -0.165 0.000 1.048 362 L CA -0.062 54.695 54.840 -0.139 0.000 0.852 362 L CB 0.494 42.289 42.059 -0.439 0.000 1.128 362 L HN -0.153 nan 8.230 nan 0.000 0.482 363 V N -0.446 119.358 119.914 -0.182 0.000 2.966 363 V HA 0.208 4.328 4.120 -0.000 0.000 0.317 363 V C 0.252 176.330 176.094 -0.026 0.000 1.070 363 V CA -0.466 61.766 62.300 -0.113 0.000 1.008 363 V CB 2.047 33.825 31.823 -0.075 0.000 1.070 363 V HN 0.091 nan 8.190 nan 0.000 0.457 364 D N 0.374 120.768 120.400 -0.010 0.000 2.490 364 D HA 0.133 4.773 4.640 -0.000 0.000 0.244 364 D C 0.478 176.783 176.300 0.008 0.000 0.979 364 D CA 0.653 54.655 54.000 0.004 0.000 0.924 364 D CB 1.033 41.838 40.800 0.008 0.000 1.075 364 D HN 0.705 nan 8.370 nan 0.000 0.488 365 E N 0.332 120.536 120.200 0.008 0.000 2.317 365 E HA 0.468 4.818 4.350 -0.000 0.000 0.270 365 E C -1.687 174.928 176.600 0.026 0.000 0.885 365 E CA -0.537 55.872 56.400 0.014 0.000 0.760 365 E CB 2.728 32.432 29.700 0.006 0.000 1.227 365 E HN -0.316 nan 8.360 nan 0.000 0.434 366 V N 4.293 124.228 119.914 0.035 0.000 2.524 366 V HA 0.411 4.531 4.120 -0.000 0.000 0.297 366 V C -0.719 175.398 176.094 0.039 0.000 1.035 366 V CA -0.560 61.770 62.300 0.050 0.000 0.867 366 V CB 1.527 33.397 31.823 0.079 0.000 1.004 366 V HN 0.536 nan 8.190 nan 0.000 0.426 367 V N 2.183 122.116 119.914 0.031 0.000 3.160 367 V HA 0.596 4.716 4.120 -0.000 0.000 0.310 367 V C -0.400 175.709 176.094 0.026 0.000 1.181 367 V CA -1.193 61.122 62.300 0.025 0.000 1.047 367 V CB 2.288 34.120 31.823 0.016 0.000 1.068 367 V HN 0.693 nan 8.190 nan 0.000 0.441 368 E N 3.357 123.572 120.200 0.025 0.000 2.415 368 E HA 0.115 4.465 4.350 -0.000 0.000 0.263 368 E C -1.615 174.996 176.600 0.019 0.000 0.995 368 E CA -1.719 54.696 56.400 0.025 0.000 0.915 368 E CB 0.811 30.525 29.700 0.023 0.000 0.951 368 E HN 0.420 nan 8.360 nan 0.000 0.449 369 P HA -0.205 nan 4.420 nan 0.000 0.218 369 P C 0.301 177.608 177.300 0.011 0.000 1.146 369 P CA 1.317 64.425 63.100 0.013 0.000 0.820 369 P CB 0.160 31.871 31.700 0.018 0.000 0.778 370 D N -0.762 119.646 120.400 0.014 0.000 2.881 370 D HA 0.077 4.717 4.640 -0.000 0.000 0.240 370 D C 0.787 177.093 176.300 0.010 0.000 1.249 370 D CA -0.357 53.651 54.000 0.012 0.000 0.839 370 D CB -0.272 40.536 40.800 0.014 0.000 1.042 370 D HN 0.242 nan 8.370 nan 0.000 0.475 371 E N -1.007 119.198 120.200 0.008 0.000 2.534 371 E HA 0.022 4.372 4.350 -0.000 0.000 0.179 371 E C 0.936 177.538 176.600 0.003 0.000 0.916 371 E CA -0.175 56.229 56.400 0.006 0.000 1.354 371 E CB -0.428 29.276 29.700 0.007 0.000 1.321 371 E HN 0.044 nan 8.360 nan 0.000 0.663 372 L N 1.333 122.557 121.223 0.001 0.000 2.079 372 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 372 L C 1.109 177.975 176.870 -0.007 0.000 1.081 372 L CA 2.316 57.153 54.840 -0.004 0.000 0.752 372 L CB -0.496 41.557 42.059 -0.009 0.000 0.896 372 L HN 0.192 nan 8.230 nan 0.000 0.433 373 D N -0.410 119.987 120.400 -0.005 0.000 2.092 373 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 373 D C 2.211 178.507 176.300 -0.006 0.000 0.994 373 D CA 1.769 55.766 54.000 -0.006 0.000 0.828 373 D CB -0.229 40.570 40.800 -0.002 0.000 0.963 373 D HN 0.475 nan 8.370 nan 0.000 0.450 374 A N 0.530 123.347 122.820 -0.004 0.000 1.930 374 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 374 A C 2.245 179.826 177.584 -0.006 0.000 1.175 374 A CA 1.910 53.944 52.037 -0.004 0.000 0.627 374 A CB -0.858 18.141 19.000 -0.002 0.000 0.815 374 A HN 0.225 nan 8.150 nan 0.000 0.443 375 A N 0.177 122.994 122.820 -0.005 0.000 1.908 375 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 375 A C 2.118 179.696 177.584 -0.010 0.000 1.181 375 A CA 1.654 53.688 52.037 -0.005 0.000 0.627 375 A CB -0.630 18.368 19.000 -0.004 0.000 0.818 375 A HN 0.515 nan 8.150 nan 0.000 0.445 376 I N -0.722 119.840 120.570 -0.013 0.000 2.202 376 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 376 I C 2.578 178.686 176.117 -0.016 0.000 1.091 376 I CA 1.209 62.498 61.300 -0.017 0.000 1.368 376 I CB -0.409 37.580 38.000 -0.019 0.000 1.058 376 I HN 0.293 nan 8.210 nan 0.000 0.410 377 E N 0.834 121.026 120.200 -0.014 0.000 2.007 377 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 377 E C 2.151 178.742 176.600 -0.014 0.000 0.999 377 E CA 1.035 57.426 56.400 -0.015 0.000 0.811 377 E CB -0.552 29.141 29.700 -0.012 0.000 0.762 377 E HN 0.344 nan 8.360 nan 0.000 0.450 378 R N 0.847 121.340 120.500 -0.011 0.000 2.316 378 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 378 R C 2.222 178.516 176.300 -0.011 0.000 1.137 378 R CA 1.358 57.452 56.100 -0.010 0.000 1.012 378 R CB -0.090 30.206 30.300 -0.007 0.000 0.859 378 R HN 0.034 nan 8.270 nan 0.000 0.474 379 S N 0.068 115.760 115.700 -0.012 0.000 2.371 379 S HA 0.012 4.482 4.470 -0.000 0.000 0.221 379 S C 1.914 176.506 174.600 -0.013 0.000 1.036 379 S CA 0.480 58.673 58.200 -0.011 0.000 0.965 379 S CB -0.026 63.167 63.200 -0.011 0.000 0.845 379 S HN 0.371 nan 8.310 nan 0.000 0.475 380 L N 1.600 122.811 121.223 -0.019 0.000 2.079 380 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 380 L C 2.881 179.733 176.870 -0.030 0.000 1.081 380 L CA 1.719 56.542 54.840 -0.028 0.000 0.752 380 L CB -1.290 40.748 42.059 -0.035 0.000 0.896 380 L HN 0.514 nan 8.230 nan 0.000 0.433 381 T N -2.986 111.553 114.554 -0.025 0.000 3.051 381 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 381 T C 1.859 176.546 174.700 -0.021 0.000 1.127 381 T CA 0.590 62.676 62.100 -0.024 0.000 1.107 381 T CB -0.213 68.643 68.868 -0.020 0.000 0.898 381 T HN 0.296 nan 8.240 nan 0.000 0.517 382 R N 0.033 120.522 120.500 -0.018 0.000 2.276 382 R HA 0.333 4.673 4.340 -0.000 0.000 0.196 382 R C 1.058 177.349 176.300 -0.015 0.000 0.961 382 R CA 0.309 56.400 56.100 -0.015 0.000 1.024 382 R CB -0.042 30.252 30.300 -0.010 0.000 0.940 382 R HN 0.417 nan 8.270 nan 0.000 0.480 383 L N 0.016 121.228 121.223 -0.019 0.000 3.017 383 L HA 0.122 4.462 4.340 -0.000 0.000 0.255 383 L C 0.869 177.720 176.870 -0.031 0.000 1.247 383 L CA -0.197 54.631 54.840 -0.019 0.000 1.038 383 L CB 0.524 42.576 42.059 -0.011 0.000 1.380 383 L HN -0.025 nan 8.230 nan 0.000 0.548 384 D N 0.721 121.102 120.400 -0.032 0.000 2.084 384 D HA -0.064 4.576 4.640 -0.000 0.000 0.196 384 D C 1.500 177.780 176.300 -0.035 0.000 0.985 384 D CA 1.063 55.041 54.000 -0.037 0.000 0.826 384 D CB 0.211 40.990 40.800 -0.033 0.000 0.978 384 D HN 0.219 nan 8.370 nan 0.000 0.456 385 G N -0.184 108.598 108.800 -0.029 0.000 2.771 385 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.242 385 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.242 385 G C 0.522 175.403 174.900 -0.032 0.000 1.233 385 G CA -0.064 45.019 45.100 -0.028 0.000 0.858 385 G HN 0.250 nan 8.290 nan 0.000 0.591 386 D N 0.164 120.544 120.400 -0.033 0.000 2.349 386 D HA 0.059 4.699 4.640 -0.000 0.000 0.215 386 D C 2.390 178.663 176.300 -0.044 0.000 1.016 386 D CA 0.682 54.659 54.000 -0.039 0.000 0.870 386 D CB 0.185 40.962 40.800 -0.039 0.000 0.917 386 D HN 0.342 nan 8.370 nan 0.000 0.524 387 A N 0.123 122.921 122.820 -0.038 0.000 1.929 387 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 387 A C 2.398 179.960 177.584 -0.037 0.000 1.176 387 A CA 0.726 52.740 52.037 -0.038 0.000 0.628 387 A CB -0.464 18.517 19.000 -0.031 0.000 0.816 387 A HN 0.162 nan 8.150 nan 0.000 0.444 388 V N 0.079 119.974 119.914 -0.032 0.000 2.358 388 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 388 V C 2.536 178.613 176.094 -0.028 0.000 1.047 388 V CA 1.810 64.095 62.300 -0.026 0.000 1.035 388 V CB -0.722 31.088 31.823 -0.021 0.000 0.658 388 V HN 0.568 nan 8.190 nan 0.000 0.452 389 L N -0.047 121.156 121.223 -0.034 0.000 2.079 389 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 389 L C 2.650 179.491 176.870 -0.049 0.000 1.081 389 L CA 1.697 56.515 54.840 -0.037 0.000 0.752 389 L CB -0.668 41.365 42.059 -0.042 0.000 0.896 389 L HN 0.381 nan 8.230 nan 0.000 0.433 390 A N -0.205 122.579 122.820 -0.059 0.000 1.854 390 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 390 A C 2.098 179.648 177.584 -0.058 0.000 1.192 390 A CA 1.571 53.565 52.037 -0.071 0.000 0.611 390 A CB -0.513 18.441 19.000 -0.078 0.000 0.832 390 A HN 0.395 nan 8.150 nan 0.000 0.442 391 N N -0.366 118.306 118.700 -0.047 0.000 2.084 391 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 391 N C 1.903 177.389 175.510 -0.039 0.000 1.030 391 N CA 1.359 54.384 53.050 -0.042 0.000 0.849 391 N CB -0.509 37.956 38.487 -0.036 0.000 1.012 391 N HN 0.565 nan 8.380 nan 0.000 0.423 392 R N 1.347 121.829 120.500 -0.031 0.000 2.133 392 R HA -0.181 4.159 4.340 -0.000 0.000 0.245 392 R C 2.257 178.535 176.300 -0.037 0.000 1.137 392 R CA 1.851 57.937 56.100 -0.024 0.000 0.947 392 R CB -0.191 30.105 30.300 -0.006 0.000 0.865 392 R HN 0.183 nan 8.270 nan 0.000 0.437 393 R N -0.602 119.871 120.500 -0.045 0.000 2.115 393 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 393 R C 2.166 178.430 176.300 -0.059 0.000 1.100 393 R CA 1.362 57.429 56.100 -0.056 0.000 0.980 393 R CB 0.001 30.262 30.300 -0.066 0.000 0.875 393 R HN 0.250 nan 8.270 nan 0.000 0.445 394 M N 0.504 120.071 119.600 -0.056 0.000 2.200 394 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 394 M C 2.231 178.499 176.300 -0.053 0.000 1.066 394 M CA 1.205 56.473 55.300 -0.054 0.000 1.127 394 M CB -0.725 31.844 32.600 -0.051 0.000 1.379 394 M HN 0.213 nan 8.290 nan 0.000 0.420 395 L N 0.307 121.498 121.223 -0.054 0.000 2.079 395 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 395 L C 2.132 178.962 176.870 -0.066 0.000 1.081 395 L CA 1.019 55.823 54.840 -0.060 0.000 0.752 395 L CB -0.713 41.310 42.059 -0.059 0.000 0.896 395 L HN 0.356 nan 8.230 nan 0.000 0.433 396 N N -0.055 118.607 118.700 -0.064 0.000 2.216 396 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 396 N C 1.870 177.341 175.510 -0.065 0.000 1.017 396 N CA 0.873 53.881 53.050 -0.070 0.000 0.861 396 N CB -0.221 38.221 38.487 -0.075 0.000 0.986 396 N HN 0.302 nan 8.380 nan 0.000 0.428 397 L N 0.510 121.697 121.223 -0.058 0.000 2.187 397 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 397 L C 1.953 178.797 176.870 -0.044 0.000 1.100 397 L CA 1.122 55.933 54.840 -0.049 0.000 0.765 397 L CB -0.117 41.914 42.059 -0.047 0.000 0.904 397 L HN 0.101 nan 8.230 nan 0.000 0.437 398 A N -0.692 122.098 122.820 -0.050 0.000 1.861 398 A HA -0.134 4.186 4.320 -0.000 0.000 0.212 398 A C 1.883 179.434 177.584 -0.055 0.000 1.199 398 A CA 1.154 53.162 52.037 -0.049 0.000 0.613 398 A CB -0.552 18.417 19.000 -0.052 0.000 0.846 398 A HN 0.396 nan 8.150 nan 0.000 0.446 399 D N -0.041 120.317 120.400 -0.070 0.000 2.106 399 D HA -0.118 4.522 4.640 -0.000 0.000 0.191 399 D C 0.846 177.110 176.300 -0.060 0.000 0.997 399 D CA 1.346 55.297 54.000 -0.081 0.000 0.834 399 D CB 0.018 40.755 40.800 -0.106 0.000 0.956 399 D HN 0.640 nan 8.370 nan 0.000 0.448 400 E N 0.048 120.215 120.200 -0.055 0.000 2.246 400 E HA 0.319 4.669 4.350 -0.000 0.000 0.266 400 E C -0.968 175.616 176.600 -0.027 0.000 0.880 400 E CA -0.411 55.964 56.400 -0.041 0.000 0.762 400 E CB 1.614 31.273 29.700 -0.067 0.000 1.180 400 E HN 0.061 nan 8.360 nan 0.000 0.416 401 S N 2.830 118.532 115.700 0.002 0.000 2.747 401 S HA 0.502 4.972 4.470 -0.000 0.000 0.300 401 S C -2.026 172.608 174.600 0.057 0.000 1.121 401 S CA -1.169 57.040 58.200 0.014 0.000 0.995 401 S CB 1.680 64.887 63.200 0.011 0.000 1.113 401 S HN 0.319 nan 8.310 nan 0.000 0.547 402 P HA -0.061 nan 4.420 nan 0.000 0.214 402 P C 0.790 178.152 177.300 0.102 0.000 1.163 402 P CA 1.202 64.361 63.100 0.099 0.000 0.883 402 P CB -0.056 31.683 31.700 0.064 0.000 0.788 403 D N -0.919 119.516 120.400 0.058 0.000 2.123 403 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 403 D C 2.224 178.554 176.300 0.049 0.000 0.992 403 D CA 1.742 55.765 54.000 0.039 0.000 0.833 403 D CB -1.038 39.775 40.800 0.021 0.000 0.954 403 D HN 0.139 nan 8.370 nan 0.000 0.455 404 G N 0.284 109.121 108.800 0.062 0.000 2.476 404 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 404 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 404 G C 1.510 176.481 174.900 0.118 0.000 1.164 404 G CA 0.568 45.711 45.100 0.071 0.000 0.768 404 G HN 0.253 nan 8.290 nan 0.000 0.560 405 F N 1.361 121.290 119.950 -0.035 0.000 2.146 405 F HA 0.107 4.634 4.527 0.000 0.000 0.298 405 F C 2.659 178.440 175.800 -0.032 0.000 1.096 405 F CA 1.497 59.461 58.000 -0.060 0.000 1.275 405 F CB -0.261 38.653 39.000 -0.144 0.000 1.008 405 F HN 0.073 nan 8.300 nan 0.000 0.480 406 R N 0.300 120.763 120.500 -0.062 0.000 2.070 406 R HA -0.157 4.183 4.340 -0.000 0.000 0.233 406 R C 2.432 178.627 176.300 -0.175 0.000 1.137 406 R CA 1.509 57.505 56.100 -0.172 0.000 0.945 406 R CB -0.774 29.495 30.300 -0.052 0.000 0.845 406 R HN 0.343 nan 8.270 nan 0.000 0.430 407 A N 0.117 122.890 122.820 -0.078 0.000 1.892 407 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 407 A C 2.076 179.617 177.584 -0.070 0.000 1.188 407 A CA 1.646 53.647 52.037 -0.059 0.000 0.631 407 A CB -1.040 17.955 19.000 -0.009 0.000 0.822 407 A HN 0.647 nan 8.150 nan 0.000 0.447 408 Y N -0.340 119.864 120.300 -0.161 0.000 2.145 408 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 408 Y C 2.297 178.070 175.900 -0.212 0.000 1.145 408 Y CA 2.182 60.186 58.100 -0.159 0.000 1.148 408 Y CB -0.215 38.150 38.460 -0.159 0.000 0.981 408 Y HN 0.220 nan 8.280 nan 0.000 0.507 409 M N 0.036 119.387 119.600 -0.415 0.000 2.279 409 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 409 M C 2.291 178.423 176.300 -0.280 0.000 1.062 409 M CA 1.289 56.298 55.300 -0.484 0.000 1.099 409 M CB -1.846 30.306 32.600 -0.746 0.000 1.394 409 M HN 0.475 nan 8.290 nan 0.000 0.426 410 A N 0.444 123.115 122.820 -0.249 0.000 1.824 410 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 410 A C 1.997 179.491 177.584 -0.150 0.000 1.209 410 A CA 1.460 53.391 52.037 -0.176 0.000 0.614 410 A CB -0.675 18.232 19.000 -0.155 0.000 0.852 410 A HN 0.393 nan 8.150 nan 0.000 0.447 411 E N -0.803 119.298 120.200 -0.165 0.000 2.219 411 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 411 E C 1.643 178.149 176.600 -0.156 0.000 0.998 411 E CA 1.094 57.404 56.400 -0.149 0.000 0.818 411 E CB -0.541 29.072 29.700 -0.145 0.000 0.741 411 E HN 0.658 nan 8.360 nan 0.000 0.477 412 F N 1.571 121.282 119.950 -0.397 0.000 2.051 412 F HA -0.185 4.342 4.527 -0.000 0.000 0.296 412 F C 2.399 178.077 175.800 -0.204 0.000 1.122 412 F CA 1.514 59.295 58.000 -0.366 0.000 1.201 412 F CB -0.714 38.000 39.000 -0.476 0.000 0.978 412 F HN 0.024 nan 8.300 nan 0.000 0.472 413 A N 0.363 123.172 122.820 -0.018 0.000 1.935 413 A HA -0.324 3.997 4.320 -0.000 0.000 0.224 413 A C 2.110 179.623 177.584 -0.118 0.000 1.324 413 A CA 2.612 54.616 52.037 -0.054 0.000 0.686 413 A CB -1.535 17.444 19.000 -0.035 0.000 0.837 413 A HN 0.553 nan 8.150 nan 0.000 0.481 414 L N -1.969 119.184 121.223 -0.115 0.000 2.062 414 L HA 0.008 4.348 4.340 -0.000 0.000 0.202 414 L C 2.401 179.185 176.870 -0.142 0.000 1.079 414 L CA 1.979 56.762 54.840 -0.095 0.000 0.755 414 L CB -0.654 41.366 42.059 -0.065 0.000 0.913 414 L HN 0.330 nan 8.230 nan 0.000 0.445 415 M N -0.348 119.153 119.600 -0.165 0.000 2.147 415 M HA -0.334 4.146 4.480 -0.000 0.000 0.253 415 M C 2.384 178.539 176.300 -0.242 0.000 1.075 415 M CA 2.195 57.390 55.300 -0.176 0.000 1.085 415 M CB -1.434 31.062 32.600 -0.174 0.000 1.305 415 M HN 0.494 nan 8.290 nan 0.000 0.409 416 Q N -0.443 119.095 119.800 -0.438 0.000 2.050 416 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 416 Q C 1.994 177.832 176.000 -0.270 0.000 0.980 416 Q CA 2.494 57.993 55.803 -0.506 0.000 0.840 416 Q CB -0.543 27.594 28.738 -1.001 0.000 0.898 416 Q HN 0.473 nan 8.270 nan 0.000 0.424 417 A N 0.651 123.355 122.820 -0.194 0.000 1.870 417 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 417 A C 2.160 179.736 177.584 -0.014 0.000 1.224 417 A CA 2.129 54.134 52.037 -0.053 0.000 0.650 417 A CB -1.333 17.669 19.000 0.003 0.000 0.836 417 A HN 0.495 nan 8.150 nan 0.000 0.454 418 L N -1.430 119.779 121.223 -0.024 0.000 2.081 418 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 418 L C 2.754 179.604 176.870 -0.033 0.000 1.080 418 L CA 1.403 56.241 54.840 -0.002 0.000 0.754 418 L CB -0.610 41.435 42.059 -0.023 0.000 0.893 418 L HN 0.301 nan 8.230 nan 0.000 0.433 419 R N 0.097 120.545 120.500 -0.086 0.000 2.189 419 R HA -0.018 4.322 4.340 -0.000 0.000 0.223 419 R C 2.103 178.330 176.300 -0.122 0.000 1.092 419 R CA 0.838 56.884 56.100 -0.090 0.000 0.989 419 R CB -0.616 29.620 30.300 -0.106 0.000 0.876 419 R HN 0.425 nan 8.270 nan 0.000 0.457 420 L N -0.725 120.390 121.223 -0.180 0.000 1.973 420 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 420 L C 0.604 177.233 176.870 -0.402 0.000 1.073 420 L CA 1.236 55.871 54.840 -0.341 0.000 0.746 420 L CB -0.483 41.271 42.059 -0.509 0.000 0.891 420 L HN 0.063 nan 8.230 nan 0.000 0.433 421 Y N 0.671 120.923 120.300 -0.080 0.000 2.735 421 Y HA 0.379 4.929 4.550 0.000 0.000 0.354 421 Y C 0.715 176.542 175.900 -0.123 0.000 1.288 421 Y CA -0.532 57.504 58.100 -0.106 0.000 1.836 421 Y CB -0.346 38.041 38.460 -0.121 0.000 1.920 421 Y HN -0.046 nan 8.280 nan 0.000 0.438 422 G N -0.296 108.481 108.800 -0.039 0.000 2.590 422 G HA2 0.184 4.144 3.960 -0.000 0.000 0.310 422 G HA3 0.184 4.144 3.960 -0.000 0.000 0.310 422 G C 0.175 175.061 174.900 -0.024 0.000 1.347 422 G CA -0.391 44.693 45.100 -0.028 0.000 0.963 422 G HN 0.438 nan 8.290 nan 0.000 0.494 423 H N 1.825 120.913 119.070 0.030 0.000 2.255 423 H HA -0.213 4.343 4.556 -0.000 0.000 0.290 423 H C 2.377 177.714 175.328 0.015 0.000 1.087 423 H CA 2.483 58.549 56.048 0.029 0.000 1.213 423 H CB 0.121 29.900 29.762 0.028 0.000 1.349 423 H HN 0.760 nan 8.280 nan 0.000 0.487 424 D N 0.737 121.223 120.400 0.143 0.000 2.149 424 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 424 D C 2.251 178.574 176.300 0.039 0.000 0.990 424 D CA 1.244 55.289 54.000 0.075 0.000 0.839 424 D CB -0.792 40.039 40.800 0.052 0.000 0.948 424 D HN 0.229 nan 8.370 nan 0.000 0.460 425 V N 1.573 121.498 119.914 0.018 0.000 2.358 425 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 425 V C 2.072 178.158 176.094 -0.013 0.000 1.047 425 V CA 0.754 63.048 62.300 -0.009 0.000 1.035 425 V CB -0.440 31.359 31.823 -0.040 0.000 0.658 425 V HN 0.166 nan 8.190 nan 0.000 0.452 426 I N 0.000 120.564 120.570 -0.011 0.000 2.984 426 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 426 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 426 I CB 0.000 38.001 38.000 0.001 0.000 1.214 426 I HN 0.000 nan 8.210 nan 0.000 0.494