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 2o0e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTWPAPTAP TPVRATVTVP GSKSQTNRAL VLAALAAAQG RGASTISGAL DATA SEQUENCE RSRDTELMLD ALQTLGLRVD GVGSELTVSG RIEPGPGARV DCGLAGTVLR DATA SEQUENCE FVPPLAALGS VPVTFDGDQQ ARGRPIAPLL DALRELGVAV DGTGLPFRVR DATA SEQUENCE GNGSLAGGTV AIDASASSQF VSGLLLSAAS FTDGLTVQHT GSSLPSAPHI DATA SEQUENCE AMTAAMLRQA GVDIDDSTPN RWQVRPGPVA ARRWDIEPDL TNAVAFLSAA DATA SEQUENCE VVSGGTVRIT GWPRVSVQPA DHILAILRQL NAVVIHADSS LEVRGPTGYD DATA SEQUENCE GFDVDLRAVG ELTPSVAALA ALASPGSVSR LSGIAHLRGH ETDRLAALST DATA SEQUENCE EINRLGGTCR ETPDGLVITA TPLRPGIWRA YADHRMAMAG AIIGLRVAGV DATA SEQUENCE EVDDIAATTK TLPEFPRLWA EMVG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 K N 2.598 123.028 120.400 0.050 0.000 2.414 2 K HA 0.280 4.596 4.320 -0.006 0.000 0.272 2 K C 0.118 176.773 176.600 0.091 0.000 0.993 2 K CA 0.531 56.856 56.287 0.063 0.000 0.964 2 K CB 0.797 33.337 32.500 0.067 0.000 0.925 2 K HN 0.706 nan 8.250 nan 0.000 0.487 3 T N 0.438 115.049 114.554 0.095 0.000 2.726 3 T HA 0.116 4.462 4.350 -0.006 0.000 0.294 3 T C -0.619 174.211 174.700 0.217 0.000 1.013 3 T CA -0.588 61.596 62.100 0.139 0.000 0.996 3 T CB 0.445 69.380 68.868 0.110 0.000 1.016 3 T HN 0.697 nan 8.240 nan 0.000 0.529 4 W N 3.414 124.739 121.300 0.041 0.000 2.475 4 W HA 0.491 5.147 4.660 -0.006 0.000 0.320 4 W C -2.665 173.882 176.519 0.047 0.000 1.022 4 W CA -2.932 54.441 57.345 0.047 0.000 1.240 4 W CB 1.552 31.043 29.460 0.053 0.000 1.328 4 W HN 0.538 nan 8.180 nan 0.000 0.439 5 P HA 0.199 nan 4.420 nan 0.000 0.276 5 P C -0.533 176.221 177.300 -0.910 0.000 1.243 5 P CA 0.057 62.894 63.100 -0.438 0.000 0.768 5 P CB 1.204 32.725 31.700 -0.298 0.000 0.856 6 A N 6.741 129.220 122.820 -0.569 0.000 2.347 6 A HA 0.452 4.768 4.320 -0.006 0.000 0.287 6 A C -1.930 175.502 177.584 -0.253 0.000 1.199 6 A CA -1.468 50.254 52.037 -0.526 0.000 0.851 6 A CB -0.759 18.208 19.000 -0.056 0.000 1.118 6 A HN 0.403 nan 8.150 nan 0.000 0.525 7 P HA 0.168 nan 4.420 nan 0.000 0.271 7 P C 0.343 177.657 177.300 0.025 0.000 1.216 7 P CA 0.158 63.224 63.100 -0.057 0.000 0.776 7 P CB 0.641 32.349 31.700 0.013 0.000 0.881 8 T N -1.210 113.342 114.554 -0.004 0.000 2.874 8 T HA 0.594 4.941 4.350 -0.006 0.000 0.281 8 T C 0.122 174.825 174.700 0.006 0.000 0.994 8 T CA -0.830 61.278 62.100 0.013 0.000 1.015 8 T CB 0.793 69.662 68.868 0.000 0.000 1.028 8 T HN 0.421 nan 8.240 nan 0.000 0.523 9 A N 2.661 125.487 122.820 0.010 0.000 2.664 9 A HA 0.565 4.882 4.320 -0.006 0.000 0.338 9 A C -1.511 176.072 177.584 -0.002 0.000 1.280 9 A CA -1.521 50.513 52.037 -0.006 0.000 0.809 9 A CB 0.448 19.442 19.000 -0.010 0.000 1.114 9 A HN 0.729 nan 8.150 nan 0.000 0.479 10 P HA 0.005 nan 4.420 nan 0.000 0.237 10 P C 0.494 177.790 177.300 -0.005 0.000 1.178 10 P CA 1.233 64.330 63.100 -0.004 0.000 0.766 10 P CB 0.080 31.775 31.700 -0.008 0.000 0.876 11 T N -4.763 109.786 114.554 -0.010 0.000 2.864 11 T HA 0.541 4.887 4.350 -0.006 0.000 0.299 11 T C -3.285 171.407 174.700 -0.014 0.000 1.166 11 T CA -2.584 59.510 62.100 -0.010 0.000 1.007 11 T CB 1.156 70.016 68.868 -0.013 0.000 1.219 11 T HN -0.346 nan 8.240 nan 0.000 0.506 12 P HA 0.205 nan 4.420 nan 0.000 0.261 12 P C -0.186 177.096 177.300 -0.031 0.000 1.183 12 P CA -0.308 62.782 63.100 -0.015 0.000 0.761 12 P CB 0.130 31.823 31.700 -0.013 0.000 0.785 13 V N 6.051 125.939 119.914 -0.042 0.000 2.673 13 V HA 0.019 4.136 4.120 -0.006 0.000 0.303 13 V C 1.017 177.076 176.094 -0.058 0.000 1.046 13 V CA 0.610 62.869 62.300 -0.068 0.000 1.126 13 V CB -0.332 31.431 31.823 -0.101 0.000 0.934 13 V HN 0.488 nan 8.190 nan 0.000 0.487 14 R N 3.239 123.703 120.500 -0.061 0.000 2.502 14 R HA 0.776 5.113 4.340 -0.006 0.000 0.298 14 R C -0.749 175.517 176.300 -0.056 0.000 1.018 14 R CA -0.289 55.780 56.100 -0.051 0.000 0.899 14 R CB 2.083 32.358 30.300 -0.040 0.000 1.181 14 R HN 0.872 nan 8.270 nan 0.000 0.444 15 A N 1.428 124.214 122.820 -0.056 0.000 2.608 15 A HA 0.613 4.930 4.320 -0.006 0.000 0.292 15 A C -1.133 176.418 177.584 -0.054 0.000 1.066 15 A CA -0.671 51.331 52.037 -0.058 0.000 0.676 15 A CB 2.159 21.116 19.000 -0.073 0.000 1.277 15 A HN 0.407 nan 8.150 nan 0.000 0.413 16 T N 1.195 115.716 114.554 -0.055 0.000 2.770 16 T HA 0.601 4.947 4.350 -0.006 0.000 0.283 16 T C -0.821 173.833 174.700 -0.077 0.000 0.988 16 T CA -0.284 61.783 62.100 -0.055 0.000 0.957 16 T CB 1.048 69.891 68.868 -0.041 0.000 0.930 16 T HN 0.754 nan 8.240 nan 0.000 0.443 17 V N 3.385 123.238 119.914 -0.102 0.000 2.588 17 V HA 0.503 4.619 4.120 -0.006 0.000 0.304 17 V C 0.055 176.052 176.094 -0.163 0.000 1.042 17 V CA -0.837 61.349 62.300 -0.189 0.000 0.877 17 V CB 2.280 33.893 31.823 -0.349 0.000 0.996 17 V HN 0.907 nan 8.190 nan 0.000 0.425 18 T N 4.403 118.858 114.554 -0.165 0.000 2.756 18 T HA 0.521 4.867 4.350 -0.006 0.000 0.290 18 T C -0.159 174.449 174.700 -0.153 0.000 0.985 18 T CA -0.333 61.700 62.100 -0.111 0.000 0.955 18 T CB 1.162 69.996 68.868 -0.058 0.000 0.930 18 T HN 0.664 nan 8.240 nan 0.000 0.451 19 V N 3.009 122.852 119.914 -0.119 0.000 2.716 19 V HA 0.753 4.869 4.120 -0.006 0.000 0.304 19 V C -2.168 173.923 176.094 -0.005 0.000 1.053 19 V CA -2.347 59.909 62.300 -0.073 0.000 0.984 19 V CB 0.755 32.569 31.823 -0.014 0.000 1.021 19 V HN 0.542 nan 8.190 nan 0.000 0.467 20 P HA 0.318 nan 4.420 nan 0.000 0.297 20 P C 0.375 177.691 177.300 0.026 0.000 1.303 20 P CA 0.025 63.141 63.100 0.028 0.000 0.753 20 P CB 0.303 32.029 31.700 0.042 0.000 1.281 21 G N -0.353 108.459 108.800 0.021 0.000 2.614 21 G HA2 0.178 4.134 3.960 -0.006 0.000 0.239 21 G HA3 0.178 4.134 3.960 -0.006 0.000 0.239 21 G C 0.053 174.962 174.900 0.015 0.000 1.240 21 G CA -0.209 44.899 45.100 0.013 0.000 0.842 21 G HN 0.520 nan 8.290 nan 0.000 0.584 22 S N 0.003 115.705 115.700 0.004 0.000 2.515 22 S HA 0.024 4.490 4.470 -0.006 0.000 0.285 22 S C 1.649 176.260 174.600 0.018 0.000 1.265 22 S CA -0.212 57.994 58.200 0.010 0.000 1.079 22 S CB 0.744 63.941 63.200 -0.006 0.000 0.877 22 S HN 0.686 nan 8.310 nan 0.000 0.493 23 K N 3.872 124.288 120.400 0.028 0.000 2.026 23 K HA -0.084 4.233 4.320 -0.006 0.000 0.208 23 K C 1.904 178.514 176.600 0.017 0.000 1.048 23 K CA 1.934 58.227 56.287 0.010 0.000 0.929 23 K CB -0.735 31.765 32.500 -0.001 0.000 0.713 23 K HN 0.670 nan 8.250 nan 0.000 0.439 24 S N 1.171 116.905 115.700 0.056 0.000 2.368 24 S HA -0.170 4.296 4.470 -0.006 0.000 0.225 24 S C 1.965 176.614 174.600 0.081 0.000 1.030 24 S CA 1.364 59.629 58.200 0.108 0.000 0.999 24 S CB -0.164 63.175 63.200 0.231 0.000 0.844 24 S HN 0.445 nan 8.310 nan 0.000 0.459 25 Q N 0.384 120.204 119.800 0.035 0.000 2.083 25 Q HA -0.093 4.243 4.340 -0.006 0.000 0.198 25 Q C 1.957 177.924 176.000 -0.054 0.000 0.969 25 Q CA 1.393 57.190 55.803 -0.010 0.000 0.838 25 Q CB -0.238 28.500 28.738 -0.001 0.000 0.900 25 Q HN 0.470 nan 8.270 nan 0.000 0.436 26 T N 1.419 115.954 114.554 -0.031 0.000 2.684 26 T HA -0.127 4.219 4.350 -0.006 0.000 0.267 26 T C 1.476 176.131 174.700 -0.074 0.000 1.036 26 T CA 1.558 63.626 62.100 -0.053 0.000 1.148 26 T CB -0.258 68.595 68.868 -0.025 0.000 0.863 26 T HN 0.299 nan 8.240 nan 0.000 0.436 27 N N 0.475 119.161 118.700 -0.024 0.000 2.331 27 N HA 0.068 4.804 4.740 -0.006 0.000 0.180 27 N C 1.985 177.514 175.510 0.032 0.000 1.019 27 N CA 0.579 53.634 53.050 0.009 0.000 0.881 27 N CB -0.156 38.347 38.487 0.027 0.000 0.972 27 N HN 0.351 nan 8.380 nan 0.000 0.435 28 R N 0.412 120.908 120.500 -0.006 0.000 2.066 28 R HA 0.058 4.395 4.340 -0.006 0.000 0.232 28 R C 2.114 178.191 176.300 -0.371 0.000 1.131 28 R CA 1.308 57.323 56.100 -0.142 0.000 0.955 28 R CB -0.299 29.901 30.300 -0.168 0.000 0.851 28 R HN 0.151 nan 8.270 nan 0.000 0.432 29 A N 0.993 123.506 122.820 -0.512 0.000 1.940 29 A HA -0.155 4.162 4.320 -0.006 0.000 0.219 29 A C 2.132 179.359 177.584 -0.595 0.000 1.176 29 A CA 1.244 52.706 52.037 -0.959 0.000 0.631 29 A CB -0.541 17.965 19.000 -0.824 0.000 0.814 29 A HN 0.207 nan 8.150 nan 0.000 0.446 30 L N -0.780 120.269 121.223 -0.291 0.000 2.093 30 L HA -0.141 4.195 4.340 -0.006 0.000 0.208 30 L C 2.522 179.324 176.870 -0.113 0.000 1.085 30 L CA 0.911 55.659 54.840 -0.153 0.000 0.755 30 L CB -0.385 41.629 42.059 -0.075 0.000 0.904 30 L HN 0.255 nan 8.230 nan 0.000 0.435 31 V N -0.016 119.837 119.914 -0.102 0.000 2.358 31 V HA -0.274 3.843 4.120 -0.006 0.000 0.246 31 V C 2.321 178.361 176.094 -0.090 0.000 1.047 31 V CA 1.551 63.818 62.300 -0.056 0.000 1.035 31 V CB -0.275 31.531 31.823 -0.029 0.000 0.658 31 V HN 0.339 nan 8.190 nan 0.000 0.452 32 L N -0.022 121.092 121.223 -0.182 0.000 2.093 32 L HA -0.108 4.228 4.340 -0.006 0.000 0.208 32 L C 2.719 179.585 176.870 -0.008 0.000 1.085 32 L CA 1.417 56.191 54.840 -0.111 0.000 0.755 32 L CB -0.784 41.167 42.059 -0.179 0.000 0.904 32 L HN 0.353 nan 8.230 nan 0.000 0.435 33 A N 0.131 122.921 122.820 -0.050 0.000 1.933 33 A HA -0.175 4.141 4.320 -0.006 0.000 0.218 33 A C 2.513 180.124 177.584 0.045 0.000 1.175 33 A CA 1.741 53.820 52.037 0.070 0.000 0.628 33 A CB -0.594 18.438 19.000 0.053 0.000 0.814 33 A HN 0.408 nan 8.150 nan 0.000 0.444 34 A N -0.401 122.425 122.820 0.010 0.000 1.930 34 A HA 0.042 4.358 4.320 -0.006 0.000 0.217 34 A C 2.130 179.732 177.584 0.029 0.000 1.175 34 A CA 1.360 53.410 52.037 0.021 0.000 0.627 34 A CB -0.520 18.491 19.000 0.017 0.000 0.815 34 A HN 0.458 nan 8.150 nan 0.000 0.443 35 L N -0.684 120.552 121.223 0.022 0.000 2.056 35 L HA -0.170 4.166 4.340 -0.006 0.000 0.207 35 L C 3.080 179.971 176.870 0.035 0.000 1.078 35 L CA 1.061 55.915 54.840 0.024 0.000 0.749 35 L CB -0.514 41.547 42.059 0.003 0.000 0.901 35 L HN 0.412 nan 8.230 nan 0.000 0.433 36 A N 0.013 122.863 122.820 0.052 0.000 1.908 36 A HA -0.195 4.121 4.320 -0.006 0.000 0.218 36 A C 2.516 180.128 177.584 0.047 0.000 1.181 36 A CA 1.885 53.957 52.037 0.058 0.000 0.627 36 A CB -0.762 18.294 19.000 0.093 0.000 0.818 36 A HN 0.402 nan 8.150 nan 0.000 0.445 37 A N -0.311 122.538 122.820 0.048 0.000 1.898 37 A HA 0.235 4.552 4.320 -0.006 0.000 0.216 37 A C 2.476 180.080 177.584 0.033 0.000 1.181 37 A CA 1.851 53.912 52.037 0.039 0.000 0.620 37 A CB -0.962 18.061 19.000 0.039 0.000 0.819 37 A HN 1.075 nan 8.150 nan 0.000 0.442 38 A N -0.760 122.080 122.820 0.034 0.000 2.019 38 A HA -0.180 4.136 4.320 -0.006 0.000 0.219 38 A C 1.992 179.595 177.584 0.032 0.000 1.164 38 A CA 1.484 53.541 52.037 0.033 0.000 0.644 38 A CB -0.461 18.561 19.000 0.038 0.000 0.805 38 A HN 0.649 nan 8.150 nan 0.000 0.449 39 Q N -1.694 118.124 119.800 0.031 0.000 2.482 39 Q HA 0.189 4.525 4.340 -0.006 0.000 0.209 39 Q C 1.085 177.100 176.000 0.025 0.000 0.961 39 Q CA 0.405 56.225 55.803 0.028 0.000 0.945 39 Q CB 0.031 28.784 28.738 0.026 0.000 1.012 39 Q HN 0.895 nan 8.270 nan 0.000 0.515 40 G N 1.362 110.177 108.800 0.025 0.000 2.141 40 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.242 40 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.242 40 G C 0.628 175.540 174.900 0.021 0.000 0.982 40 G CA -0.004 45.108 45.100 0.021 0.000 0.662 40 G HN 0.255 nan 8.290 nan 0.000 0.527 41 R N 0.567 121.082 120.500 0.024 0.000 2.313 41 R HA 0.391 4.727 4.340 -0.006 0.000 0.199 41 R C 1.451 177.766 176.300 0.024 0.000 0.958 41 R CA 0.895 57.008 56.100 0.023 0.000 1.047 41 R CB -0.069 30.247 30.300 0.027 0.000 0.955 41 R HN 1.624 nan 8.270 nan 0.000 0.481 42 G N 0.393 109.209 108.800 0.026 0.000 2.592 42 G HA2 -0.096 3.860 3.960 -0.006 0.000 0.684 42 G HA3 -0.096 3.860 3.960 -0.006 0.000 0.684 42 G C -0.744 174.177 174.900 0.036 0.000 1.291 42 G CA -0.544 44.572 45.100 0.026 0.000 0.891 42 G HN 0.349 nan 8.290 nan 0.000 0.544 43 A N -0.293 122.548 122.820 0.034 0.000 2.351 43 A HA 0.809 5.125 4.320 -0.006 0.000 0.257 43 A C 0.733 178.353 177.584 0.059 0.000 1.087 43 A CA 1.006 53.069 52.037 0.043 0.000 0.798 43 A CB 0.603 19.624 19.000 0.035 0.000 1.033 43 A HN 1.932 nan 8.150 nan 0.000 0.488 44 S N -0.419 115.333 115.700 0.085 0.000 2.568 44 S HA 0.707 5.174 4.470 -0.006 0.000 0.293 44 S C -0.439 174.239 174.600 0.129 0.000 1.089 44 S CA -0.505 57.772 58.200 0.128 0.000 0.945 44 S CB 1.934 65.274 63.200 0.233 0.000 1.077 44 S HN 0.756 nan 8.310 nan 0.000 0.485 45 T N 2.008 116.645 114.554 0.139 0.000 2.829 45 T HA 0.578 4.925 4.350 -0.006 0.000 0.280 45 T C -0.552 174.267 174.700 0.198 0.000 0.999 45 T CA -0.381 61.794 62.100 0.125 0.000 0.983 45 T CB 0.584 69.496 68.868 0.074 0.000 0.968 45 T HN 0.420 nan 8.240 nan 0.000 0.446 46 I N 2.532 123.200 120.570 0.164 0.000 2.328 46 I HA 0.374 4.540 4.170 -0.006 0.000 0.287 46 I C 0.370 176.554 176.117 0.111 0.000 1.012 46 I CA -0.476 60.932 61.300 0.180 0.000 1.195 46 I CB 1.524 39.585 38.000 0.101 0.000 1.350 46 I HN 0.482 nan 8.210 nan 0.000 0.464 47 S N 4.616 120.383 115.700 0.111 0.000 2.480 47 S HA 0.611 5.077 4.470 -0.006 0.000 0.286 47 S C 0.896 175.533 174.600 0.062 0.000 1.180 47 S CA 0.345 58.587 58.200 0.070 0.000 1.075 47 S CB 1.055 64.289 63.200 0.056 0.000 0.996 47 S HN 1.081 nan 8.310 nan 0.000 0.487 48 G N 2.666 111.492 108.800 0.043 0.000 2.143 48 G HA2 -0.125 3.832 3.960 -0.006 0.000 0.248 48 G HA3 -0.125 3.832 3.960 -0.006 0.000 0.248 48 G C 0.374 175.293 174.900 0.031 0.000 0.991 48 G CA 0.042 45.162 45.100 0.034 0.000 0.689 48 G HN 1.486 nan 8.290 nan 0.000 0.522 49 A N -0.370 122.470 122.820 0.032 0.000 2.561 49 A HA 0.507 4.824 4.320 -0.006 0.000 0.234 49 A C 0.773 178.366 177.584 0.015 0.000 1.055 49 A CA 0.560 52.609 52.037 0.021 0.000 0.756 49 A CB 0.380 19.390 19.000 0.017 0.000 0.986 49 A HN 1.709 nan 8.150 nan 0.000 0.505 50 L N 2.830 124.059 121.223 0.010 0.000 2.455 50 L HA 0.283 4.619 4.340 -0.006 0.000 0.272 50 L C 0.129 177.001 176.870 0.004 0.000 1.174 50 L CA 0.447 55.293 54.840 0.010 0.000 0.869 50 L CB 0.255 42.319 42.059 0.009 0.000 1.130 50 L HN 0.603 nan 8.230 nan 0.000 0.474 51 R N 4.361 124.865 120.500 0.008 0.000 2.239 51 R HA 0.556 4.892 4.340 -0.006 0.000 0.332 51 R C -0.554 175.746 176.300 -0.000 0.000 0.988 51 R CA -0.185 55.916 56.100 0.002 0.000 0.859 51 R CB 0.618 30.922 30.300 0.006 0.000 1.148 51 R HN 0.871 nan 8.270 nan 0.000 0.482 52 S N 0.358 116.048 115.700 -0.015 0.000 2.672 52 S HA 0.376 4.842 4.470 -0.006 0.000 0.271 52 S C 0.714 175.286 174.600 -0.047 0.000 1.171 52 S CA -1.004 57.180 58.200 -0.027 0.000 0.817 52 S CB 2.253 65.434 63.200 -0.031 0.000 1.150 52 S HN 0.559 nan 8.310 nan 0.000 0.478 53 R N 0.220 120.680 120.500 -0.067 0.000 2.081 53 R HA -0.109 4.228 4.340 -0.006 0.000 0.235 53 R C 0.885 177.133 176.300 -0.088 0.000 1.131 53 R CA 2.149 58.203 56.100 -0.075 0.000 0.960 53 R CB -0.705 29.541 30.300 -0.089 0.000 0.856 53 R HN 0.731 nan 8.270 nan 0.000 0.436 54 D N -0.703 119.627 120.400 -0.116 0.000 2.144 54 D HA -0.128 4.509 4.640 -0.006 0.000 0.199 54 D C 1.861 178.109 176.300 -0.086 0.000 0.984 54 D CA 1.974 55.902 54.000 -0.120 0.000 0.834 54 D CB -0.136 40.572 40.800 -0.154 0.000 0.955 54 D HN 0.454 nan 8.370 nan 0.000 0.465 55 T N -2.110 112.405 114.554 -0.065 0.000 3.014 55 T HA -0.027 4.319 4.350 -0.006 0.000 0.263 55 T C 1.828 176.504 174.700 -0.039 0.000 1.078 55 T CA 0.815 62.886 62.100 -0.047 0.000 1.135 55 T CB 0.068 68.915 68.868 -0.034 0.000 0.895 55 T HN -0.112 nan 8.240 nan 0.000 0.480 56 E N 1.374 121.550 120.200 -0.039 0.000 2.110 56 E HA 0.011 4.357 4.350 -0.006 0.000 0.193 56 E C 1.998 178.575 176.600 -0.038 0.000 0.988 56 E CA 0.924 57.303 56.400 -0.034 0.000 0.804 56 E CB -0.719 28.962 29.700 -0.032 0.000 0.745 56 E HN 0.573 nan 8.360 nan 0.000 0.458 57 L N -0.364 120.830 121.223 -0.048 0.000 2.042 57 L HA -0.198 4.139 4.340 -0.006 0.000 0.210 57 L C 2.476 179.323 176.870 -0.038 0.000 1.076 57 L CA 1.342 56.153 54.840 -0.048 0.000 0.749 57 L CB -0.421 41.603 42.059 -0.059 0.000 0.893 57 L HN 0.304 nan 8.230 nan 0.000 0.432 58 M N -0.155 119.423 119.600 -0.037 0.000 2.099 58 M HA -0.182 4.295 4.480 -0.006 0.000 0.262 58 M C 2.090 178.382 176.300 -0.014 0.000 1.067 58 M CA 1.646 56.935 55.300 -0.019 0.000 1.124 58 M CB -0.458 32.129 32.600 -0.022 0.000 1.353 58 M HN 0.157 nan 8.290 nan 0.000 0.410 59 L N -0.119 121.092 121.223 -0.021 0.000 1.971 59 L HA -0.307 4.029 4.340 -0.006 0.000 0.215 59 L C 1.672 178.531 176.870 -0.019 0.000 1.072 59 L CA 2.180 57.010 54.840 -0.018 0.000 0.758 59 L CB -0.748 41.300 42.059 -0.018 0.000 0.889 59 L HN 0.288 nan 8.230 nan 0.000 0.433 60 D N -0.147 120.237 120.400 -0.027 0.000 2.178 60 D HA -0.127 4.510 4.640 -0.006 0.000 0.202 60 D C 2.192 178.466 176.300 -0.043 0.000 0.974 60 D CA 1.296 55.275 54.000 -0.035 0.000 0.841 60 D CB -0.121 40.654 40.800 -0.042 0.000 0.953 60 D HN 0.553 nan 8.370 nan 0.000 0.478 61 A N 0.768 123.565 122.820 -0.038 0.000 1.902 61 A HA -0.128 4.188 4.320 -0.006 0.000 0.217 61 A C 2.359 179.928 177.584 -0.025 0.000 1.181 61 A CA 0.908 52.920 52.037 -0.042 0.000 0.623 61 A CB -0.745 18.252 19.000 -0.005 0.000 0.818 61 A HN 0.215 nan 8.150 nan 0.000 0.443 62 L N -0.876 120.344 121.223 -0.005 0.000 2.083 62 L HA -0.237 4.099 4.340 -0.006 0.000 0.209 62 L C 2.840 179.705 176.870 -0.009 0.000 1.083 62 L CA 1.432 56.274 54.840 0.004 0.000 0.752 62 L CB -0.679 41.385 42.059 0.008 0.000 0.899 62 L HN 0.485 nan 8.230 nan 0.000 0.433 63 Q N -0.558 119.231 119.800 -0.018 0.000 2.119 63 Q HA -0.155 4.181 4.340 -0.006 0.000 0.201 63 Q C 2.191 178.172 176.000 -0.033 0.000 0.972 63 Q CA 1.804 57.595 55.803 -0.021 0.000 0.847 63 Q CB -0.242 28.484 28.738 -0.021 0.000 0.903 63 Q HN 0.472 nan 8.270 nan 0.000 0.433 64 T N 1.561 116.085 114.554 -0.051 0.000 2.803 64 T HA -0.093 4.253 4.350 -0.006 0.000 0.269 64 T C 1.658 176.320 174.700 -0.065 0.000 1.052 64 T CA 0.834 62.890 62.100 -0.073 0.000 1.136 64 T CB -0.063 68.734 68.868 -0.119 0.000 0.864 64 T HN 0.216 nan 8.240 nan 0.000 0.467 65 L N -0.038 121.159 121.223 -0.044 0.000 2.552 65 L HA 0.221 4.557 4.340 -0.006 0.000 0.227 65 L C 2.041 178.907 176.870 -0.007 0.000 1.146 65 L CA 0.591 55.419 54.840 -0.020 0.000 0.858 65 L CB -0.238 41.827 42.059 0.010 0.000 0.969 65 L HN 0.530 nan 8.230 nan 0.000 0.451 66 G N -0.521 108.272 108.800 -0.012 0.000 2.211 66 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.201 66 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.201 66 G C 0.166 175.066 174.900 0.000 0.000 0.997 66 G CA -0.474 44.623 45.100 -0.005 0.000 0.652 66 G HN 0.128 nan 8.290 nan 0.000 0.500 67 L N 0.335 121.559 121.223 0.003 0.000 2.479 67 L HA 0.660 4.997 4.340 -0.006 0.000 0.248 67 L C 1.092 177.964 176.870 0.003 0.000 1.205 67 L CA -0.666 54.178 54.840 0.007 0.000 0.817 67 L CB 0.582 42.648 42.059 0.012 0.000 1.162 67 L HN 0.248 nan 8.230 nan 0.000 0.486 68 R N 0.167 120.671 120.500 0.007 0.000 2.494 68 R HA 0.649 4.985 4.340 -0.006 0.000 0.305 68 R C -1.881 174.424 176.300 0.008 0.000 0.959 68 R CA -0.520 55.583 56.100 0.005 0.000 0.864 68 R CB 1.499 31.803 30.300 0.007 0.000 1.159 68 R HN 0.403 nan 8.270 nan 0.000 0.446 69 V N 4.709 124.625 119.914 0.004 0.000 2.409 69 V HA 0.287 4.403 4.120 -0.006 0.000 0.290 69 V C -0.770 175.328 176.094 0.006 0.000 1.017 69 V CA -0.910 61.394 62.300 0.006 0.000 0.841 69 V CB 1.607 33.431 31.823 0.002 0.000 1.003 69 V HN 0.809 nan 8.190 nan 0.000 0.426 70 D N 3.375 123.781 120.400 0.010 0.000 2.193 70 D HA 0.744 5.380 4.640 -0.006 0.000 0.249 70 D C 0.363 176.670 176.300 0.012 0.000 1.034 70 D CA 0.225 54.231 54.000 0.010 0.000 0.902 70 D CB 2.293 43.100 40.800 0.012 0.000 1.182 70 D HN 0.933 nan 8.370 nan 0.000 0.436 71 G N -0.610 108.196 108.800 0.009 0.000 2.249 71 G HA2 0.119 4.075 3.960 -0.006 0.000 0.252 71 G HA3 0.119 4.075 3.960 -0.006 0.000 0.252 71 G C 0.239 175.144 174.900 0.009 0.000 1.697 71 G CA -0.245 44.861 45.100 0.011 0.000 0.916 71 G HN 0.384 nan 8.290 nan 0.000 0.725 72 V N 0.486 120.405 119.914 0.009 0.000 3.590 72 V HA 0.675 4.791 4.120 -0.006 0.000 0.265 72 V C 1.216 177.316 176.094 0.009 0.000 1.239 72 V CA 2.094 64.398 62.300 0.008 0.000 1.117 72 V CB 0.124 31.951 31.823 0.007 0.000 0.818 72 V HN 1.561 nan 8.190 nan 0.000 0.451 73 G N 0.928 109.735 108.800 0.011 0.000 3.286 73 G HA2 0.355 4.311 3.960 -0.006 0.000 0.166 73 G HA3 0.355 4.311 3.960 -0.006 0.000 0.166 73 G C 0.757 175.666 174.900 0.014 0.000 1.155 73 G CA 0.486 45.594 45.100 0.013 0.000 0.871 73 G HN 0.544 nan 8.290 nan 0.000 0.637 74 S N -0.555 115.155 115.700 0.017 0.000 2.593 74 S HA 0.217 4.684 4.470 -0.006 0.000 0.217 74 S C 0.039 174.654 174.600 0.024 0.000 0.966 74 S CA 0.213 58.425 58.200 0.019 0.000 0.914 74 S CB 0.222 63.434 63.200 0.020 0.000 0.776 74 S HN 0.275 nan 8.310 nan 0.000 0.523 75 E N 1.665 121.879 120.200 0.024 0.000 2.055 75 E HA 0.551 4.897 4.350 -0.006 0.000 0.274 75 E C -0.991 175.627 176.600 0.030 0.000 0.949 75 E CA -0.126 56.292 56.400 0.031 0.000 0.775 75 E CB 1.066 30.783 29.700 0.028 0.000 1.097 75 E HN 0.425 nan 8.360 nan 0.000 0.404 76 L N 2.429 123.673 121.223 0.036 0.000 2.329 76 L HA 0.577 4.913 4.340 -0.006 0.000 0.279 76 L C -0.108 176.788 176.870 0.043 0.000 1.014 76 L CA -0.765 54.094 54.840 0.031 0.000 0.814 76 L CB 1.941 44.012 42.059 0.020 0.000 1.257 76 L HN 0.317 nan 8.230 nan 0.000 0.424 77 T N 2.188 116.763 114.554 0.036 0.000 2.792 77 T HA 0.501 4.847 4.350 -0.006 0.000 0.280 77 T C -0.245 174.476 174.700 0.035 0.000 0.990 77 T CA -0.426 61.699 62.100 0.042 0.000 0.960 77 T CB 1.931 70.820 68.868 0.035 0.000 0.939 77 T HN 0.177 nan 8.240 nan 0.000 0.439 78 V N 3.841 123.781 119.914 0.044 0.000 2.435 78 V HA 0.811 4.927 4.120 -0.006 0.000 0.290 78 V C 0.146 176.263 176.094 0.038 0.000 1.030 78 V CA -0.548 61.773 62.300 0.036 0.000 0.881 78 V CB 1.358 33.202 31.823 0.035 0.000 0.983 78 V HN 1.112 nan 8.190 nan 0.000 0.445 79 S N 2.557 118.274 115.700 0.028 0.000 2.656 79 S HA 0.998 5.464 4.470 -0.006 0.000 0.273 79 S C -0.140 174.473 174.600 0.021 0.000 1.168 79 S CA 0.016 58.232 58.200 0.027 0.000 0.817 79 S CB 1.809 65.024 63.200 0.023 0.000 1.146 79 S HN 2.170 nan 8.310 nan 0.000 0.475 80 G N 0.749 109.562 108.800 0.021 0.000 2.451 80 G HA2 0.167 4.123 3.960 -0.006 0.000 0.208 80 G HA3 0.167 4.123 3.960 -0.006 0.000 0.208 80 G C -1.446 173.465 174.900 0.020 0.000 1.248 80 G CA -0.625 44.485 45.100 0.017 0.000 0.989 80 G HN 0.799 nan 8.290 nan 0.000 0.559 81 R N -0.828 119.683 120.500 0.018 0.000 2.888 81 R HA 0.674 5.011 4.340 -0.006 0.000 0.266 81 R C -0.093 176.220 176.300 0.021 0.000 1.020 81 R CA -1.173 54.940 56.100 0.020 0.000 0.963 81 R CB 1.074 31.385 30.300 0.018 0.000 1.197 81 R HN 0.579 nan 8.270 nan 0.000 0.481 82 I N 2.657 123.244 120.570 0.027 0.000 2.363 82 I HA 0.113 4.279 4.170 -0.006 0.000 0.292 82 I C 0.352 176.483 176.117 0.024 0.000 1.075 82 I CA 0.520 61.837 61.300 0.029 0.000 1.333 82 I CB 0.386 38.411 38.000 0.043 0.000 1.415 82 I HN 0.519 nan 8.210 nan 0.000 0.502 83 E N 6.608 126.817 120.200 0.015 0.000 2.956 83 E HA 0.322 4.668 4.350 -0.006 0.000 0.353 83 E C -2.880 173.721 176.600 0.002 0.000 1.131 83 E CA -1.579 54.827 56.400 0.010 0.000 0.851 83 E CB 0.381 30.086 29.700 0.009 0.000 1.500 83 E HN 0.210 nan 8.360 nan 0.000 0.384 84 P HA 0.201 nan 4.420 nan 0.000 0.275 84 P C 0.522 177.812 177.300 -0.017 0.000 1.228 84 P CA 0.075 63.166 63.100 -0.015 0.000 0.786 84 P CB 1.065 32.754 31.700 -0.019 0.000 0.927 85 G N 2.531 111.315 108.800 -0.026 0.000 2.562 85 G HA2 0.397 4.353 3.960 -0.006 0.000 0.275 85 G HA3 0.397 4.353 3.960 -0.006 0.000 0.275 85 G C -2.532 172.352 174.900 -0.026 0.000 1.196 85 G CA -1.374 43.712 45.100 -0.023 0.000 0.908 85 G HN 0.315 nan 8.290 nan 0.000 0.524 86 P HA 0.196 nan 4.420 nan 0.000 0.265 86 P C 0.838 178.120 177.300 -0.030 0.000 1.193 86 P CA 1.503 64.590 63.100 -0.020 0.000 0.765 86 P CB 0.865 32.556 31.700 -0.016 0.000 0.823 87 G N 2.068 110.848 108.800 -0.032 0.000 2.160 87 G HA2 -0.184 3.773 3.960 -0.006 0.000 0.251 87 G HA3 -0.184 3.773 3.960 -0.006 0.000 0.251 87 G C 0.458 175.319 174.900 -0.066 0.000 1.008 87 G CA -0.086 44.988 45.100 -0.043 0.000 0.724 87 G HN 0.846 nan 8.290 nan 0.000 0.514 88 A N -0.198 122.578 122.820 -0.074 0.000 2.546 88 A HA 0.562 4.878 4.320 -0.006 0.000 0.243 88 A C 0.831 178.315 177.584 -0.167 0.000 1.063 88 A CA 1.157 53.129 52.037 -0.109 0.000 0.757 88 A CB 0.199 19.138 19.000 -0.103 0.000 0.991 88 A HN 1.001 nan 8.150 nan 0.000 0.503 89 R N 2.970 123.353 120.500 -0.196 0.000 2.507 89 R HA 0.459 4.795 4.340 -0.006 0.000 0.298 89 R C -1.753 174.372 176.300 -0.291 0.000 1.087 89 R CA -0.456 55.493 56.100 -0.251 0.000 0.917 89 R CB 1.347 31.546 30.300 -0.168 0.000 1.173 89 R HN 0.517 nan 8.270 nan 0.000 0.472 90 V N 3.867 123.490 119.914 -0.484 0.000 2.488 90 V HA 0.049 4.165 4.120 -0.006 0.000 0.277 90 V C 0.157 176.091 176.094 -0.265 0.000 1.046 90 V CA -0.150 61.897 62.300 -0.422 0.000 0.986 90 V CB 1.187 32.579 31.823 -0.717 0.000 0.989 90 V HN 0.646 nan 8.190 nan 0.000 0.475 91 D N 3.866 124.173 120.400 -0.155 0.000 2.316 91 D HA 0.156 4.792 4.640 -0.006 0.000 0.245 91 D C 0.639 176.904 176.300 -0.058 0.000 1.171 91 D CA -0.259 53.683 54.000 -0.096 0.000 0.856 91 D CB 1.171 41.924 40.800 -0.078 0.000 1.090 91 D HN 0.570 nan 8.370 nan 0.000 0.476 92 C N 3.378 122.663 119.300 -0.027 0.000 2.618 92 C HA 0.429 4.885 4.460 -0.006 0.000 0.264 92 C C 1.702 176.676 174.990 -0.027 0.000 1.334 92 C CA 0.199 59.218 59.018 0.001 0.000 1.731 92 C CB -1.370 26.402 27.740 0.054 0.000 1.852 92 C HN 0.900 nan 8.230 nan 0.000 0.566 93 G N 1.296 110.075 108.800 -0.035 0.000 2.634 93 G HA2 -0.317 3.639 3.960 -0.006 0.000 0.309 93 G HA3 -0.317 3.639 3.960 -0.006 0.000 0.309 93 G C 0.218 175.094 174.900 -0.040 0.000 1.265 93 G CA 0.605 45.679 45.100 -0.043 0.000 0.998 93 G HN 0.457 nan 8.290 nan 0.000 0.551 94 L N 1.756 122.943 121.223 -0.060 0.000 2.910 94 L HA 0.730 5.066 4.340 -0.006 0.000 0.252 94 L C 1.756 178.568 176.870 -0.097 0.000 1.195 94 L CA 0.973 55.776 54.840 -0.063 0.000 1.003 94 L CB -0.194 41.827 42.059 -0.063 0.000 1.328 94 L HN 1.197 nan 8.230 nan 0.000 0.540 95 A N -0.516 122.241 122.820 -0.104 0.000 2.437 95 A HA 0.504 4.820 4.320 -0.006 0.000 0.303 95 A C 1.554 179.047 177.584 -0.151 0.000 1.324 95 A CA 0.308 52.259 52.037 -0.143 0.000 0.983 95 A CB -0.217 18.702 19.000 -0.135 0.000 1.142 95 A HN 0.463 nan 8.150 nan 0.000 0.541 96 G N 1.943 110.631 108.800 -0.186 0.000 2.442 96 G HA2 -0.262 3.694 3.960 -0.006 0.000 0.219 96 G HA3 -0.262 3.694 3.960 -0.006 0.000 0.219 96 G C 1.570 176.270 174.900 -0.334 0.000 1.141 96 G CA 1.714 46.693 45.100 -0.201 0.000 0.763 96 G HN 0.857 nan 8.290 nan 0.000 0.554 97 T N -0.668 113.588 114.554 -0.496 0.000 2.788 97 T HA -0.095 4.252 4.350 -0.006 0.000 0.268 97 T C 2.271 176.585 174.700 -0.644 0.000 1.044 97 T CA 1.428 62.935 62.100 -0.989 0.000 1.139 97 T CB -0.421 67.935 68.868 -0.852 0.000 0.867 97 T HN 0.040 nan 8.240 nan 0.000 0.454 98 V N 1.509 121.259 119.914 -0.273 0.000 2.323 98 V HA -0.008 4.108 4.120 -0.006 0.000 0.244 98 V C 2.551 178.661 176.094 0.027 0.000 1.041 98 V CA 1.372 63.630 62.300 -0.072 0.000 1.025 98 V CB -0.863 30.944 31.823 -0.027 0.000 0.656 98 V HN 0.394 nan 8.190 nan 0.000 0.451 99 L N 0.140 121.369 121.223 0.010 0.000 2.079 99 L HA -0.161 4.175 4.340 -0.006 0.000 0.210 99 L C 2.341 179.268 176.870 0.094 0.000 1.081 99 L CA 2.081 56.980 54.840 0.099 0.000 0.752 99 L CB -0.468 41.641 42.059 0.083 0.000 0.896 99 L HN 0.163 nan 8.230 nan 0.000 0.433 100 R N -2.467 118.050 120.500 0.028 0.000 2.206 100 R HA 0.153 4.490 4.340 -0.006 0.000 0.198 100 R C 1.668 178.150 176.300 0.303 0.000 0.986 100 R CA 0.572 56.759 56.100 0.145 0.000 1.029 100 R CB -0.143 30.257 30.300 0.166 0.000 0.966 100 R HN 0.247 nan 8.270 nan 0.000 0.487 101 F N -1.070 118.904 119.950 0.040 0.000 2.656 101 F HA 0.170 4.694 4.527 -0.005 0.000 0.291 101 F C 1.814 177.647 175.800 0.055 0.000 1.122 101 F CA -0.064 57.953 58.000 0.028 0.000 1.427 101 F CB -0.322 38.679 39.000 0.002 0.000 1.125 101 F HN -0.258 nan 8.300 nan 0.000 0.583 102 V N 0.674 120.750 119.914 0.270 0.000 2.725 102 V HA -0.029 4.087 4.120 -0.006 0.000 0.247 102 V C -0.622 175.628 176.094 0.259 0.000 1.058 102 V CA 0.992 63.464 62.300 0.287 0.000 1.080 102 V CB -1.415 30.633 31.823 0.374 0.000 0.713 102 V HN 0.066 nan 8.190 nan 0.000 0.465 103 P HA -0.081 nan 4.420 nan 0.000 0.216 103 P C -1.454 175.869 177.300 0.039 0.000 1.150 103 P CA 1.653 64.626 63.100 -0.211 0.000 0.837 103 P CB -1.196 30.240 31.700 -0.440 0.000 0.786 104 P HA -0.118 nan 4.420 nan 0.000 0.219 104 P C 1.468 178.878 177.300 0.185 0.000 1.146 104 P CA 1.143 64.326 63.100 0.140 0.000 0.808 104 P CB -0.493 31.320 31.700 0.190 0.000 0.779 105 L N -1.087 120.244 121.223 0.180 0.000 2.044 105 L HA -0.102 4.234 4.340 -0.006 0.000 0.205 105 L C 2.501 179.475 176.870 0.174 0.000 1.075 105 L CA 1.420 56.363 54.840 0.172 0.000 0.747 105 L CB -1.155 41.000 42.059 0.160 0.000 0.903 105 L HN -0.053 nan 8.230 nan 0.000 0.435 106 A N 0.175 123.133 122.820 0.230 0.000 1.940 106 A HA -0.230 4.086 4.320 -0.006 0.000 0.219 106 A C 2.492 180.167 177.584 0.151 0.000 1.176 106 A CA 1.780 53.950 52.037 0.222 0.000 0.631 106 A CB -0.715 18.517 19.000 0.387 0.000 0.814 106 A HN 0.423 nan 8.150 nan 0.000 0.446 107 A N -0.302 122.597 122.820 0.133 0.000 2.024 107 A HA -0.053 4.263 4.320 -0.006 0.000 0.220 107 A C 2.108 179.727 177.584 0.057 0.000 1.164 107 A CA 1.488 53.565 52.037 0.066 0.000 0.643 107 A CB -0.550 18.462 19.000 0.021 0.000 0.806 107 A HN 0.514 nan 8.150 nan 0.000 0.451 108 L N -0.747 120.543 121.223 0.112 0.000 2.093 108 L HA 0.005 4.341 4.340 -0.006 0.000 0.208 108 L C 1.984 178.902 176.870 0.081 0.000 1.085 108 L CA 0.409 55.322 54.840 0.122 0.000 0.755 108 L CB -1.041 41.109 42.059 0.153 0.000 0.904 108 L HN 0.475 nan 8.230 nan 0.000 0.435 109 G N -0.753 108.092 108.800 0.075 0.000 2.611 109 G HA2 0.157 4.113 3.960 -0.006 0.000 0.273 109 G HA3 0.157 4.113 3.960 -0.006 0.000 0.273 109 G C 0.718 175.645 174.900 0.045 0.000 1.305 109 G CA 0.324 45.458 45.100 0.058 0.000 1.010 109 G HN 0.255 nan 8.290 nan 0.000 0.509 110 S N -2.019 113.702 115.700 0.036 0.000 2.629 110 S HA 0.349 4.815 4.470 -0.006 0.000 0.236 110 S C 0.058 174.673 174.600 0.026 0.000 1.010 110 S CA -0.329 57.887 58.200 0.027 0.000 0.981 110 S CB 0.269 63.482 63.200 0.022 0.000 0.919 110 S HN 0.344 nan 8.310 nan 0.000 0.514 111 V N 4.020 123.952 119.914 0.030 0.000 2.513 111 V HA 0.568 4.685 4.120 -0.006 0.000 0.299 111 V C -2.495 173.619 176.094 0.035 0.000 1.035 111 V CA -2.313 60.001 62.300 0.024 0.000 0.889 111 V CB 1.839 33.671 31.823 0.015 0.000 0.988 111 V HN 0.232 nan 8.190 nan 0.000 0.440 112 P HA 0.209 nan 4.420 nan 0.000 0.276 112 P C -0.959 176.352 177.300 0.019 0.000 1.243 112 P CA 0.045 63.168 63.100 0.039 0.000 0.768 112 P CB 1.204 32.920 31.700 0.026 0.000 0.856 113 V N 4.202 124.145 119.914 0.049 0.000 2.444 113 V HA 0.259 4.375 4.120 -0.006 0.000 0.294 113 V C 0.598 176.666 176.094 -0.044 0.000 1.022 113 V CA -0.370 61.901 62.300 -0.048 0.000 0.850 113 V CB 1.769 33.546 31.823 -0.076 0.000 0.992 113 V HN 0.455 nan 8.190 nan 0.000 0.426 114 T N 5.491 119.942 114.554 -0.172 0.000 2.897 114 T HA 0.578 4.925 4.350 -0.006 0.000 0.294 114 T C -0.607 173.826 174.700 -0.446 0.000 1.004 114 T CA 0.271 62.272 62.100 -0.166 0.000 1.106 114 T CB 0.264 69.053 68.868 -0.131 0.000 0.949 114 T HN 0.317 nan 8.240 nan 0.000 0.520 115 F N 2.279 121.942 119.950 -0.479 0.000 2.467 115 F HA 0.527 5.051 4.527 -0.006 0.000 0.336 115 F C 0.463 175.980 175.800 -0.471 0.000 1.123 115 F CA -0.954 56.690 58.000 -0.593 0.000 0.964 115 F CB 1.645 39.964 39.000 -1.135 0.000 1.136 115 F HN 0.443 nan 8.300 nan 0.000 0.447 116 D N 0.709 121.013 120.400 -0.160 0.000 2.566 116 D HA 0.798 5.435 4.640 -0.006 0.000 0.254 116 D C -0.472 175.801 176.300 -0.046 0.000 1.090 116 D CA -0.390 53.554 54.000 -0.092 0.000 1.034 116 D CB 2.444 43.194 40.800 -0.083 0.000 1.434 116 D HN 0.712 nan 8.370 nan 0.000 0.509 117 G N -0.058 108.730 108.800 -0.019 0.000 2.619 117 G HA2 0.368 4.325 3.960 -0.006 0.000 0.305 117 G HA3 0.368 4.325 3.960 -0.006 0.000 0.305 117 G C -1.282 173.613 174.900 -0.008 0.000 1.330 117 G CA -0.673 44.421 45.100 -0.009 0.000 0.789 117 G HN 0.403 nan 8.290 nan 0.000 0.487 118 D N -0.020 120.375 120.400 -0.010 0.000 2.390 118 D HA 0.079 4.715 4.640 -0.006 0.000 0.236 118 D C 1.547 177.848 176.300 0.002 0.000 1.189 118 D CA -0.021 53.974 54.000 -0.009 0.000 0.887 118 D CB 1.287 42.079 40.800 -0.013 0.000 1.198 118 D HN 0.556 nan 8.370 nan 0.000 0.444 119 Q N 0.935 120.737 119.800 0.002 0.000 2.112 119 Q HA -0.306 4.031 4.340 -0.006 0.000 0.206 119 Q C 1.686 177.695 176.000 0.015 0.000 0.987 119 Q CA 1.681 57.489 55.803 0.009 0.000 0.858 119 Q CB 0.027 28.768 28.738 0.005 0.000 0.905 119 Q HN 0.549 nan 8.270 nan 0.000 0.420 120 Q N -0.870 118.938 119.800 0.013 0.000 2.291 120 Q HA -0.097 4.239 4.340 -0.006 0.000 0.205 120 Q C 1.712 177.726 176.000 0.023 0.000 0.970 120 Q CA 0.993 56.809 55.803 0.020 0.000 0.876 120 Q CB -0.084 28.667 28.738 0.021 0.000 0.935 120 Q HN 0.518 nan 8.270 nan 0.000 0.455 121 A N 0.535 123.367 122.820 0.019 0.000 2.066 121 A HA -0.082 4.234 4.320 -0.006 0.000 0.218 121 A C 1.768 179.381 177.584 0.047 0.000 1.157 121 A CA 0.614 52.667 52.037 0.026 0.000 0.670 121 A CB -0.200 18.813 19.000 0.021 0.000 0.804 121 A HN 0.306 nan 8.150 nan 0.000 0.453 122 R N -0.568 119.960 120.500 0.046 0.000 2.280 122 R HA -0.047 4.289 4.340 -0.006 0.000 0.207 122 R C 1.757 178.091 176.300 0.056 0.000 1.043 122 R CA 0.715 56.851 56.100 0.060 0.000 1.006 122 R CB -0.242 30.088 30.300 0.050 0.000 0.885 122 R HN 0.465 nan 8.270 nan 0.000 0.467 123 G N 0.794 109.622 108.800 0.046 0.000 3.088 123 G HA2 -0.021 3.935 3.960 -0.006 0.000 0.212 123 G HA3 -0.021 3.935 3.960 -0.006 0.000 0.212 123 G C 0.280 175.210 174.900 0.051 0.000 1.173 123 G CA -0.337 44.789 45.100 0.043 0.000 0.779 123 G HN 0.120 nan 8.290 nan 0.000 0.540 124 R N 0.395 120.931 120.500 0.061 0.000 2.486 124 R HA 0.370 4.706 4.340 -0.006 0.000 0.286 124 R C -2.641 173.720 176.300 0.102 0.000 0.999 124 R CA -1.736 54.406 56.100 0.069 0.000 0.993 124 R CB 0.786 31.118 30.300 0.052 0.000 1.084 124 R HN -0.043 nan 8.270 nan 0.000 0.487 125 P HA -0.010 nan 4.420 nan 0.000 0.265 125 P C -0.233 177.274 177.300 0.345 0.000 1.193 125 P CA 0.316 63.551 63.100 0.224 0.000 0.765 125 P CB 0.544 32.396 31.700 0.253 0.000 0.823 126 I N 2.475 123.179 120.570 0.224 0.000 5.285 126 I HA 0.163 4.329 4.170 -0.006 0.000 0.351 126 I C 1.723 177.688 176.117 -0.253 0.000 1.206 126 I CA 0.696 62.037 61.300 0.068 0.000 1.527 126 I CB -0.683 37.334 38.000 0.028 0.000 1.694 126 I HN 0.255 nan 8.210 nan 0.000 0.585 127 A N 1.994 124.706 122.820 -0.181 0.000 1.948 127 A HA -0.056 4.260 4.320 -0.006 0.000 0.220 127 A C -0.299 177.083 177.584 -0.337 0.000 1.177 127 A CA 2.360 54.252 52.037 -0.241 0.000 0.636 127 A CB -2.032 16.892 19.000 -0.126 0.000 0.815 127 A HN 0.407 nan 8.150 nan 0.000 0.449 128 P HA -0.129 nan 4.420 nan 0.000 0.217 128 P C 1.619 178.579 177.300 -0.567 0.000 1.150 128 P CA 0.853 63.680 63.100 -0.455 0.000 0.832 128 P CB -0.060 31.362 31.700 -0.463 0.000 0.787 129 L N -0.977 119.709 121.223 -0.897 0.000 2.093 129 L HA -0.098 4.239 4.340 -0.006 0.000 0.208 129 L C 2.011 178.650 176.870 -0.386 0.000 1.085 129 L CA 1.713 56.204 54.840 -0.582 0.000 0.755 129 L CB -1.227 40.507 42.059 -0.542 0.000 0.904 129 L HN -0.129 nan 8.230 nan 0.000 0.435 130 L N -0.919 120.044 121.223 -0.433 0.000 2.093 130 L HA -0.144 4.192 4.340 -0.006 0.000 0.208 130 L C 2.202 178.916 176.870 -0.260 0.000 1.085 130 L CA 0.985 55.596 54.840 -0.381 0.000 0.755 130 L CB -0.924 40.838 42.059 -0.495 0.000 0.904 130 L HN 0.234 nan 8.230 nan 0.000 0.435 131 D N 0.597 120.855 120.400 -0.237 0.000 2.117 131 D HA -0.149 4.487 4.640 -0.006 0.000 0.197 131 D C 2.269 178.484 176.300 -0.142 0.000 0.987 131 D CA 1.557 55.458 54.000 -0.164 0.000 0.829 131 D CB 0.044 40.759 40.800 -0.142 0.000 0.961 131 D HN 0.295 nan 8.370 nan 0.000 0.460 132 A N 0.706 123.431 122.820 -0.159 0.000 1.902 132 A HA -0.133 4.184 4.320 -0.006 0.000 0.217 132 A C 2.426 179.941 177.584 -0.115 0.000 1.181 132 A CA 0.923 52.891 52.037 -0.115 0.000 0.623 132 A CB -0.771 18.166 19.000 -0.105 0.000 0.818 132 A HN 0.214 nan 8.150 nan 0.000 0.443 133 L N -1.145 119.992 121.223 -0.143 0.000 2.046 133 L HA -0.200 4.137 4.340 -0.006 0.000 0.208 133 L C 2.857 179.650 176.870 -0.129 0.000 1.077 133 L CA 1.489 56.245 54.840 -0.141 0.000 0.747 133 L CB -0.487 41.484 42.059 -0.146 0.000 0.896 133 L HN 0.357 nan 8.230 nan 0.000 0.432 134 R N 0.095 120.524 120.500 -0.119 0.000 2.105 134 R HA -0.179 4.158 4.340 -0.006 0.000 0.239 134 R C 2.117 178.367 176.300 -0.084 0.000 1.135 134 R CA 1.421 57.465 56.100 -0.094 0.000 0.967 134 R CB -0.287 29.961 30.300 -0.087 0.000 0.861 134 R HN 0.455 nan 8.270 nan 0.000 0.442 135 E N 0.493 120.644 120.200 -0.083 0.000 2.204 135 E HA -0.138 4.208 4.350 -0.006 0.000 0.195 135 E C 1.376 177.933 176.600 -0.072 0.000 0.990 135 E CA 0.737 57.098 56.400 -0.065 0.000 0.821 135 E CB 0.051 29.719 29.700 -0.053 0.000 0.750 135 E HN 0.322 nan 8.360 nan 0.000 0.477 136 L N -0.573 120.590 121.223 -0.101 0.000 2.611 136 L HA 0.168 4.504 4.340 -0.006 0.000 0.229 136 L C 1.284 178.069 176.870 -0.141 0.000 1.137 136 L CA 0.295 55.056 54.840 -0.133 0.000 0.901 136 L CB 0.320 42.255 42.059 -0.206 0.000 1.098 136 L HN 0.293 nan 8.230 nan 0.000 0.456 137 G N -0.608 108.129 108.800 -0.105 0.000 2.195 137 G HA2 -0.230 3.726 3.960 -0.006 0.000 0.224 137 G HA3 -0.230 3.726 3.960 -0.006 0.000 0.224 137 G C 0.221 175.072 174.900 -0.082 0.000 0.990 137 G CA -0.143 44.905 45.100 -0.087 0.000 0.639 137 G HN 0.049 nan 8.290 nan 0.000 0.514 138 V N 1.947 121.802 119.914 -0.099 0.000 2.488 138 V HA 0.640 4.756 4.120 -0.006 0.000 0.277 138 V C 1.061 177.126 176.094 -0.048 0.000 1.046 138 V CA -0.102 62.153 62.300 -0.074 0.000 0.986 138 V CB 1.200 32.970 31.823 -0.088 0.000 0.989 138 V HN 1.130 nan 8.190 nan 0.000 0.475 139 A N 5.478 128.284 122.820 -0.023 0.000 2.454 139 A HA 0.583 4.899 4.320 -0.006 0.000 0.260 139 A C -0.325 177.264 177.584 0.008 0.000 1.106 139 A CA -0.162 51.869 52.037 -0.010 0.000 0.780 139 A CB 0.216 19.217 19.000 0.002 0.000 1.044 139 A HN 0.740 nan 8.150 nan 0.000 0.498 140 V N 4.014 123.927 119.914 -0.001 0.000 2.525 140 V HA 0.262 4.378 4.120 -0.006 0.000 0.299 140 V C -1.127 174.985 176.094 0.031 0.000 1.034 140 V CA -0.897 61.416 62.300 0.022 0.000 0.863 140 V CB 1.882 33.676 31.823 -0.048 0.000 0.999 140 V HN 0.863 nan 8.190 nan 0.000 0.423 141 D N 4.234 124.684 120.400 0.082 0.000 2.347 141 D HA 0.615 5.251 4.640 -0.006 0.000 0.235 141 D C 0.528 176.898 176.300 0.117 0.000 1.149 141 D CA 0.864 54.911 54.000 0.078 0.000 0.850 141 D CB 1.491 42.337 40.800 0.077 0.000 1.061 141 D HN 1.053 nan 8.370 nan 0.000 0.487 142 G N 1.129 109.970 108.800 0.067 0.000 2.640 142 G HA2 -0.033 3.924 3.960 -0.006 0.000 0.686 142 G HA3 -0.033 3.924 3.960 -0.006 0.000 0.686 142 G C 0.355 175.256 174.900 0.002 0.000 1.229 142 G CA -0.201 44.949 45.100 0.083 0.000 0.796 142 G HN 0.426 nan 8.290 nan 0.000 0.654 143 T N -1.512 113.036 114.554 -0.011 0.000 3.085 143 T HA 0.651 4.997 4.350 -0.006 0.000 0.264 143 T C 1.070 175.728 174.700 -0.070 0.000 1.019 143 T CA 1.004 63.054 62.100 -0.084 0.000 0.910 143 T CB 0.807 69.639 68.868 -0.060 0.000 1.059 143 T HN 2.209 nan 8.240 nan 0.000 0.542 144 G N 0.622 109.446 108.800 0.039 0.000 2.600 144 G HA2 0.566 4.522 3.960 -0.006 0.000 0.293 144 G HA3 0.566 4.522 3.960 -0.006 0.000 0.293 144 G C -1.544 173.549 174.900 0.322 0.000 1.408 144 G CA -1.190 43.983 45.100 0.122 0.000 0.782 144 G HN 0.325 nan 8.290 nan 0.000 0.482 145 L N 1.897 123.312 121.223 0.320 0.000 2.455 145 L HA 0.281 4.617 4.340 -0.006 0.000 0.272 145 L C -1.660 175.289 176.870 0.131 0.000 1.174 145 L CA -1.128 53.859 54.840 0.245 0.000 0.869 145 L CB 0.762 42.912 42.059 0.153 0.000 1.130 145 L HN 0.277 nan 8.230 nan 0.000 0.474 146 P HA 0.360 nan 4.420 nan 0.000 0.288 146 P C -1.152 176.227 177.300 0.131 0.000 1.267 146 P CA -0.317 62.803 63.100 0.034 0.000 0.815 146 P CB 0.930 32.624 31.700 -0.009 0.000 0.989 147 F N -0.605 119.406 119.950 0.102 0.000 2.603 147 F HA 0.789 5.314 4.527 -0.004 0.000 0.317 147 F C -0.458 175.438 175.800 0.160 0.000 1.066 147 F CA -1.561 56.491 58.000 0.087 0.000 0.941 147 F CB 1.917 40.939 39.000 0.037 0.000 1.291 147 F HN 0.215 nan 8.300 nan 0.000 0.472 148 R N 2.057 122.753 120.500 0.327 0.000 2.534 148 R HA 0.778 5.114 4.340 -0.006 0.000 0.301 148 R C -2.131 174.348 176.300 0.298 0.000 0.961 148 R CA -0.712 55.541 56.100 0.255 0.000 0.871 148 R CB 2.062 32.439 30.300 0.129 0.000 1.170 148 R HN 0.766 nan 8.270 nan 0.000 0.446 149 V N 4.604 124.716 119.914 0.330 0.000 2.539 149 V HA 0.525 4.641 4.120 -0.006 0.000 0.292 149 V C 0.035 176.221 176.094 0.154 0.000 1.045 149 V CA -0.600 61.846 62.300 0.243 0.000 0.945 149 V CB 1.648 33.658 31.823 0.313 0.000 0.993 149 V HN 0.764 nan 8.190 nan 0.000 0.464 150 R N 2.494 123.051 120.500 0.094 0.000 2.575 150 R HA 0.487 4.823 4.340 -0.006 0.000 0.292 150 R C 0.078 176.400 176.300 0.036 0.000 1.246 150 R CA -0.352 55.784 56.100 0.061 0.000 0.973 150 R CB 1.854 32.181 30.300 0.045 0.000 1.187 150 R HN 0.915 nan 8.270 nan 0.000 0.478 151 G N 0.719 109.542 108.800 0.038 0.000 2.547 151 G HA2 0.075 4.031 3.960 -0.006 0.000 0.291 151 G HA3 0.075 4.031 3.960 -0.006 0.000 0.291 151 G C 0.400 175.308 174.900 0.012 0.000 1.211 151 G CA -0.584 44.526 45.100 0.016 0.000 0.950 151 G HN 0.666 nan 8.290 nan 0.000 0.504 152 N N -1.015 117.687 118.700 0.002 0.000 2.320 152 N HA 0.222 4.959 4.740 -0.006 0.000 0.237 152 N C 1.235 176.753 175.510 0.012 0.000 1.129 152 N CA 0.144 53.197 53.050 0.005 0.000 0.854 152 N CB 0.472 38.957 38.487 -0.003 0.000 1.083 152 N HN 1.174 nan 8.380 nan 0.000 0.504 153 G N -1.328 107.485 108.800 0.021 0.000 2.168 153 G HA2 -0.270 3.686 3.960 -0.006 0.000 0.263 153 G HA3 -0.270 3.686 3.960 -0.006 0.000 0.263 153 G C -0.043 174.878 174.900 0.035 0.000 0.977 153 G CA 0.678 45.795 45.100 0.029 0.000 0.659 153 G HN 0.884 nan 8.290 nan 0.000 0.533 154 S N -1.402 114.315 115.700 0.028 0.000 2.611 154 S HA 0.825 5.291 4.470 -0.006 0.000 0.268 154 S C -1.988 172.611 174.600 -0.000 0.000 1.156 154 S CA -0.490 57.728 58.200 0.030 0.000 0.817 154 S CB 1.556 64.771 63.200 0.025 0.000 1.122 154 S HN 1.008 nan 8.310 nan 0.000 0.466 155 L N 1.856 123.075 121.223 -0.006 0.000 2.830 155 L HA 0.410 4.746 4.340 -0.006 0.000 0.259 155 L C 0.737 177.587 176.870 -0.035 0.000 0.926 155 L CA -0.026 54.762 54.840 -0.086 0.000 0.993 155 L CB 1.376 43.292 42.059 -0.238 0.000 1.589 155 L HN 0.941 nan 8.230 nan 0.000 0.460 156 A N 2.397 125.196 122.820 -0.036 0.000 2.014 156 A HA 0.453 4.769 4.320 -0.006 0.000 0.218 156 A C 1.266 178.885 177.584 0.059 0.000 1.163 156 A CA 1.622 53.672 52.037 0.022 0.000 0.652 156 A CB -0.242 18.763 19.000 0.009 0.000 0.808 156 A HN 1.689 nan 8.150 nan 0.000 0.449 157 G N -1.896 106.873 108.800 -0.051 0.000 2.512 157 G HA2 0.314 4.270 3.960 -0.006 0.000 0.254 157 G HA3 0.314 4.270 3.960 -0.006 0.000 0.254 157 G C 1.063 175.995 174.900 0.053 0.000 1.199 157 G CA 0.527 45.644 45.100 0.030 0.000 0.941 157 G HN 2.462 nan 8.290 nan 0.000 0.569 158 G N -3.267 105.601 108.800 0.113 0.000 2.250 158 G HA2 0.482 4.439 3.960 -0.006 0.000 0.196 158 G HA3 0.482 4.439 3.960 -0.006 0.000 0.196 158 G C -0.262 174.686 174.900 0.079 0.000 1.308 158 G CA 0.599 45.741 45.100 0.070 0.000 1.207 158 G HN 1.949 nan 8.290 nan 0.000 0.505 159 T N -0.077 114.510 114.554 0.055 0.000 2.855 159 T HA 0.701 5.047 4.350 -0.006 0.000 0.281 159 T C -0.958 173.772 174.700 0.049 0.000 1.007 159 T CA 0.219 62.355 62.100 0.059 0.000 1.009 159 T CB 1.674 70.569 68.868 0.046 0.000 0.983 159 T HN 1.567 nan 8.240 nan 0.000 0.455 160 V N 1.797 121.749 119.914 0.065 0.000 2.932 160 V HA 0.832 4.948 4.120 -0.006 0.000 0.307 160 V C -1.466 174.668 176.094 0.067 0.000 1.147 160 V CA -0.683 61.646 62.300 0.048 0.000 0.951 160 V CB 1.966 33.811 31.823 0.036 0.000 1.031 160 V HN 1.085 nan 8.190 nan 0.000 0.426 161 A N 6.480 129.326 122.820 0.043 0.000 2.330 161 A HA 0.938 5.254 4.320 -0.006 0.000 0.327 161 A C -0.923 176.688 177.584 0.045 0.000 1.155 161 A CA -0.557 51.512 52.037 0.053 0.000 0.803 161 A CB 1.192 20.207 19.000 0.026 0.000 1.208 161 A HN 1.286 nan 8.150 nan 0.000 0.477 162 I N 1.190 121.811 120.570 0.084 0.000 2.802 162 I HA 0.359 4.525 4.170 -0.006 0.000 0.298 162 I C -1.571 174.626 176.117 0.133 0.000 1.176 162 I CA -0.662 60.687 61.300 0.081 0.000 1.025 162 I CB 2.211 40.263 38.000 0.087 0.000 1.243 162 I HN 0.680 nan 8.210 nan 0.000 0.424 163 D N 6.012 126.475 120.400 0.106 0.000 2.352 163 D HA 0.399 5.035 4.640 -0.006 0.000 0.245 163 D C 0.107 176.625 176.300 0.363 0.000 1.224 163 D CA -0.007 54.096 54.000 0.172 0.000 0.879 163 D CB 1.547 42.405 40.800 0.096 0.000 1.057 163 D HN 0.575 nan 8.370 nan 0.000 0.491 164 A N 3.089 126.254 122.820 0.574 0.000 2.574 164 A HA 0.170 4.486 4.320 -0.006 0.000 0.283 164 A C 1.782 179.460 177.584 0.158 0.000 1.270 164 A CA -0.353 51.926 52.037 0.403 0.000 0.945 164 A CB 0.032 19.172 19.000 0.235 0.000 1.127 164 A HN 0.468 nan 8.150 nan 0.000 0.522 165 S N 0.129 116.003 115.700 0.289 0.000 2.442 165 S HA -0.096 4.370 4.470 -0.006 0.000 0.236 165 S C 2.074 176.689 174.600 0.026 0.000 1.007 165 S CA 1.296 59.577 58.200 0.136 0.000 0.965 165 S CB -0.048 63.268 63.200 0.194 0.000 0.773 165 S HN 0.820 nan 8.310 nan 0.000 0.504 166 A N -0.166 122.693 122.820 0.066 0.000 2.072 166 A HA 0.374 4.690 4.320 -0.006 0.000 0.216 166 A C 0.983 178.474 177.584 -0.154 0.000 1.156 166 A CA 0.345 52.392 52.037 0.017 0.000 0.701 166 A CB 0.146 19.218 19.000 0.119 0.000 0.816 166 A HN 0.311 nan 8.150 nan 0.000 0.458 167 S N -1.601 113.870 115.700 -0.381 0.000 2.582 167 S HA 0.301 4.767 4.470 -0.006 0.000 0.287 167 S C 0.697 175.023 174.600 -0.456 0.000 1.146 167 S CA 0.180 58.077 58.200 -0.505 0.000 0.941 167 S CB 0.852 63.509 63.200 -0.905 0.000 1.115 167 S HN 0.747 nan 8.310 nan 0.000 0.458 168 S N 3.787 119.320 115.700 -0.278 0.000 2.442 168 S HA -0.140 4.326 4.470 -0.006 0.000 0.236 168 S C 1.323 175.837 174.600 -0.143 0.000 1.007 168 S CA 0.973 59.056 58.200 -0.196 0.000 0.965 168 S CB -0.451 62.674 63.200 -0.124 0.000 0.773 168 S HN 0.808 nan 8.310 nan 0.000 0.504 169 Q N -0.321 119.388 119.800 -0.153 0.000 2.437 169 Q HA 0.025 4.361 4.340 -0.006 0.000 0.210 169 Q C 1.201 177.311 176.000 0.184 0.000 0.972 169 Q CA 0.819 56.666 55.803 0.075 0.000 0.903 169 Q CB -0.333 28.410 28.738 0.007 0.000 0.967 169 Q HN 0.581 nan 8.270 nan 0.000 0.486 170 F N -0.265 119.694 119.950 0.016 0.000 2.186 170 F HA -0.160 4.362 4.527 -0.007 0.000 0.299 170 F C 2.194 177.954 175.800 -0.066 0.000 1.090 170 F CA 0.425 58.420 58.000 -0.009 0.000 1.307 170 F CB -0.903 38.090 39.000 -0.012 0.000 1.019 170 F HN -0.121 nan 8.300 nan 0.000 0.489 171 V N -1.035 118.895 119.914 0.026 0.000 2.283 171 V HA -0.212 3.904 4.120 -0.006 0.000 0.243 171 V C 2.392 178.324 176.094 -0.270 0.000 1.039 171 V CA 1.865 64.023 62.300 -0.237 0.000 1.016 171 V CB -1.013 30.463 31.823 -0.579 0.000 0.650 171 V HN 0.246 nan 8.190 nan 0.000 0.449 172 S N 0.767 116.330 115.700 -0.228 0.000 2.374 172 S HA -0.193 4.273 4.470 -0.006 0.000 0.227 172 S C 2.071 176.431 174.600 -0.400 0.000 1.037 172 S CA 1.607 59.614 58.200 -0.321 0.000 1.024 172 S CB -0.841 62.205 63.200 -0.257 0.000 0.861 172 S HN 0.710 nan 8.310 nan 0.000 0.456 173 G N 1.221 109.937 108.800 -0.140 0.000 2.422 173 G HA2 -0.140 3.817 3.960 -0.006 0.000 0.218 173 G HA3 -0.140 3.817 3.960 -0.006 0.000 0.218 173 G C 1.337 176.214 174.900 -0.038 0.000 1.146 173 G CA 0.640 45.730 45.100 -0.017 0.000 0.769 173 G HN 0.441 nan 8.290 nan 0.000 0.547 174 L N -0.191 121.021 121.223 -0.020 0.000 2.072 174 L HA 0.103 4.439 4.340 -0.006 0.000 0.205 174 L C 2.874 179.707 176.870 -0.062 0.000 1.079 174 L CA 0.333 55.192 54.840 0.031 0.000 0.752 174 L CB -0.331 41.760 42.059 0.054 0.000 0.906 174 L HN 0.169 nan 8.230 nan 0.000 0.436 175 L N -0.479 120.644 121.223 -0.166 0.000 2.046 175 L HA -0.236 4.100 4.340 -0.006 0.000 0.208 175 L C 2.522 179.254 176.870 -0.231 0.000 1.077 175 L CA 1.187 55.907 54.840 -0.201 0.000 0.747 175 L CB -0.515 41.387 42.059 -0.261 0.000 0.896 175 L HN 0.278 nan 8.230 nan 0.000 0.432 176 L N -0.871 120.189 121.223 -0.272 0.000 2.079 176 L HA -0.199 4.138 4.340 -0.006 0.000 0.210 176 L C 2.374 179.110 176.870 -0.223 0.000 1.081 176 L CA 1.189 55.870 54.840 -0.264 0.000 0.752 176 L CB -0.347 41.501 42.059 -0.351 0.000 0.896 176 L HN 0.162 nan 8.230 nan 0.000 0.433 177 S N -0.892 114.670 115.700 -0.230 0.000 2.548 177 S HA 0.164 4.630 4.470 -0.006 0.000 0.215 177 S C 1.966 176.100 174.600 -0.778 0.000 0.976 177 S CA 0.483 58.513 58.200 -0.284 0.000 0.908 177 S CB 0.321 63.505 63.200 -0.027 0.000 0.781 177 S HN 0.405 nan 8.310 nan 0.000 0.519 178 A N 1.663 123.992 122.820 -0.817 0.000 2.019 178 A HA 0.140 4.456 4.320 -0.006 0.000 0.219 178 A C 2.240 179.360 177.584 -0.774 0.000 1.164 178 A CA 1.385 52.672 52.037 -1.251 0.000 0.644 178 A CB -0.742 17.970 19.000 -0.481 0.000 0.805 178 A HN 0.503 nan 8.150 nan 0.000 0.449 179 A N -0.804 121.767 122.820 -0.415 0.000 2.125 179 A HA 0.012 4.329 4.320 -0.006 0.000 0.219 179 A C 2.098 179.580 177.584 -0.170 0.000 1.156 179 A CA 1.716 53.625 52.037 -0.213 0.000 0.671 179 A CB -0.422 18.506 19.000 -0.121 0.000 0.794 179 A HN 0.396 nan 8.150 nan 0.000 0.459 180 S N -0.571 114.990 115.700 -0.232 0.000 2.556 180 S HA 0.299 4.765 4.470 -0.006 0.000 0.216 180 S C -0.230 174.445 174.600 0.125 0.000 0.970 180 S CA -0.499 57.673 58.200 -0.045 0.000 0.912 180 S CB -0.179 63.019 63.200 -0.003 0.000 0.790 180 S HN 0.402 nan 8.310 nan 0.000 0.504 181 F N 2.479 122.436 119.950 0.011 0.000 2.429 181 F HA 0.238 4.762 4.527 -0.007 0.000 0.348 181 F C 2.001 177.809 175.800 0.012 0.000 1.109 181 F CA -1.178 56.829 58.000 0.011 0.000 1.232 181 F CB -0.624 38.381 39.000 0.009 0.000 1.157 181 F HN -0.051 nan 8.300 nan 0.000 0.564 182 T N 0.048 114.726 114.554 0.206 0.000 2.620 182 T HA -0.245 4.101 4.350 -0.006 0.000 0.267 182 T C 0.976 175.736 174.700 0.099 0.000 1.044 182 T CA 2.040 64.208 62.100 0.113 0.000 1.161 182 T CB -0.155 68.759 68.868 0.077 0.000 0.862 182 T HN 0.507 nan 8.240 nan 0.000 0.438 183 D N 0.815 121.285 120.400 0.117 0.000 2.342 183 D HA 0.347 4.983 4.640 -0.006 0.000 0.221 183 D C 1.422 177.785 176.300 0.105 0.000 1.101 183 D CA 0.623 54.678 54.000 0.092 0.000 0.837 183 D CB 0.073 40.919 40.800 0.077 0.000 0.938 183 D HN 0.504 nan 8.370 nan 0.000 0.508 184 G N 1.228 110.104 108.800 0.126 0.000 2.564 184 G HA2 -0.238 3.719 3.960 -0.006 0.000 0.273 184 G HA3 -0.238 3.719 3.960 -0.006 0.000 0.273 184 G C -0.583 174.425 174.900 0.179 0.000 1.242 184 G CA 0.054 45.204 45.100 0.083 0.000 0.951 184 G HN 0.349 nan 8.290 nan 0.000 0.564 185 L N -1.243 120.053 121.223 0.121 0.000 2.545 185 L HA 0.703 5.040 4.340 -0.006 0.000 0.258 185 L C -0.245 176.703 176.870 0.129 0.000 0.942 185 L CA 0.094 55.037 54.840 0.173 0.000 0.855 185 L CB 2.098 44.295 42.059 0.230 0.000 1.374 185 L HN 0.976 nan 8.230 nan 0.000 0.411 186 T N 3.513 118.144 114.554 0.128 0.000 2.792 186 T HA 0.723 5.070 4.350 -0.006 0.000 0.280 186 T C -0.917 173.879 174.700 0.161 0.000 0.990 186 T CA -0.381 61.799 62.100 0.133 0.000 0.960 186 T CB 1.435 70.359 68.868 0.094 0.000 0.939 186 T HN 0.358 nan 8.240 nan 0.000 0.439 187 V N 3.824 123.880 119.914 0.237 0.000 2.459 187 V HA 0.575 4.692 4.120 -0.006 0.000 0.295 187 V C -0.283 176.033 176.094 0.371 0.000 1.029 187 V CA -0.824 61.645 62.300 0.282 0.000 0.874 187 V CB 1.681 33.679 31.823 0.291 0.000 0.985 187 V HN 0.808 nan 8.190 nan 0.000 0.438 188 Q N 2.831 122.794 119.800 0.271 0.000 2.325 188 Q HA 0.395 4.731 4.340 -0.006 0.000 0.270 188 Q C -0.763 175.412 176.000 0.293 0.000 1.020 188 Q CA -0.534 55.411 55.803 0.236 0.000 0.785 188 Q CB 1.217 30.017 28.738 0.103 0.000 1.259 188 Q HN 0.879 nan 8.270 nan 0.000 0.452 189 H N 2.308 121.561 119.070 0.304 0.000 2.819 189 H HA 0.293 4.845 4.556 -0.006 0.000 0.303 189 H C 0.308 175.712 175.328 0.128 0.000 1.058 189 H CA 0.910 57.109 56.048 0.251 0.000 1.471 189 H CB 1.093 31.059 29.762 0.340 0.000 1.480 189 H HN 0.772 nan 8.280 nan 0.000 0.517 190 T N 0.739 115.067 114.554 -0.377 0.000 3.043 190 T HA 0.317 4.663 4.350 -0.006 0.000 0.272 190 T C 1.217 175.675 174.700 -0.403 0.000 0.990 190 T CA -0.014 61.896 62.100 -0.317 0.000 0.897 190 T CB 0.132 68.928 68.868 -0.119 0.000 1.111 190 T HN 0.594 nan 8.240 nan 0.000 0.529 191 G N 2.127 110.545 108.800 -0.636 0.000 2.468 191 G HA2 0.427 4.384 3.960 -0.006 0.000 0.264 191 G HA3 0.427 4.384 3.960 -0.006 0.000 0.264 191 G C 0.674 175.489 174.900 -0.142 0.000 1.460 191 G CA 0.140 45.093 45.100 -0.247 0.000 1.060 191 G HN 0.549 nan 8.290 nan 0.000 0.543 192 S N -0.720 115.030 115.700 0.083 0.000 2.354 192 S HA 0.347 4.813 4.470 -0.006 0.000 0.209 192 S C 1.265 176.013 174.600 0.247 0.000 1.248 192 S CA 0.494 58.765 58.200 0.118 0.000 1.211 192 S CB -0.672 62.577 63.200 0.082 0.000 0.896 192 S HN 1.408 nan 8.310 nan 0.000 0.447 193 S N 0.620 116.410 115.700 0.150 0.000 2.558 193 S HA 0.249 4.716 4.470 -0.006 0.000 0.287 193 S C -0.511 174.137 174.600 0.080 0.000 1.321 193 S CA -0.675 57.593 58.200 0.113 0.000 1.048 193 S CB -0.245 62.987 63.200 0.055 0.000 0.844 193 S HN 0.733 nan 8.310 nan 0.000 0.512 194 L N 4.109 125.320 121.223 -0.020 0.000 2.318 194 L HA 0.576 4.912 4.340 -0.006 0.000 0.277 194 L C -2.382 174.382 176.870 -0.176 0.000 1.008 194 L CA -2.109 52.605 54.840 -0.210 0.000 0.846 194 L CB 1.391 43.257 42.059 -0.322 0.000 1.220 194 L HN 0.576 nan 8.230 nan 0.000 0.423 195 P HA 0.247 nan 4.420 nan 0.000 0.276 195 P C -0.379 176.793 177.300 -0.214 0.000 1.252 195 P CA -0.083 62.793 63.100 -0.373 0.000 0.802 195 P CB 0.972 32.033 31.700 -1.066 0.000 1.035 196 S N -1.067 114.570 115.700 -0.104 0.000 3.749 196 S HA -0.173 4.293 4.470 -0.006 0.000 0.348 196 S C 1.305 175.924 174.600 0.033 0.000 1.045 196 S CA 0.544 58.755 58.200 0.018 0.000 1.051 196 S CB -2.104 61.116 63.200 0.034 0.000 0.898 196 S HN 0.823 nan 8.310 nan 0.000 0.472 197 A N 1.227 124.052 122.820 0.008 0.000 1.927 197 A HA -0.112 4.204 4.320 -0.006 0.000 0.220 197 A C 0.131 177.730 177.584 0.024 0.000 1.185 197 A CA 2.142 54.202 52.037 0.038 0.000 0.639 197 A CB -1.609 17.421 19.000 0.050 0.000 0.820 197 A HN 0.563 nan 8.150 nan 0.000 0.451 198 P HA -0.130 nan 4.420 nan 0.000 0.219 198 P C 0.696 177.897 177.300 -0.165 0.000 1.146 198 P CA 1.520 64.556 63.100 -0.107 0.000 0.808 198 P CB -0.166 31.412 31.700 -0.203 0.000 0.779 199 H N -1.854 117.198 119.070 -0.030 0.000 2.470 199 H HA 0.101 4.654 4.556 -0.006 0.000 0.289 199 H C 1.846 177.148 175.328 -0.043 0.000 1.033 199 H CA 0.767 56.802 56.048 -0.023 0.000 1.331 199 H CB -0.504 29.253 29.762 -0.009 0.000 1.414 199 H HN 0.097 nan 8.280 nan 0.000 0.545 200 I N -0.053 120.541 120.570 0.039 0.000 2.353 200 I HA -0.161 4.005 4.170 -0.006 0.000 0.248 200 I C 2.493 178.599 176.117 -0.018 0.000 1.119 200 I CA 0.823 62.092 61.300 -0.052 0.000 1.417 200 I CB -0.191 37.760 38.000 -0.082 0.000 1.078 200 I HN 0.275 nan 8.210 nan 0.000 0.421 201 A N 0.685 123.520 122.820 0.026 0.000 1.969 201 A HA -0.229 4.087 4.320 -0.006 0.000 0.218 201 A C 2.406 179.988 177.584 -0.004 0.000 1.169 201 A CA 1.495 53.554 52.037 0.038 0.000 0.635 201 A CB -0.584 18.439 19.000 0.037 0.000 0.810 201 A HN 0.448 nan 8.150 nan 0.000 0.445 202 M N -0.444 119.129 119.600 -0.044 0.000 2.080 202 M HA -0.162 4.315 4.480 -0.006 0.000 0.260 202 M C 2.057 178.334 176.300 -0.039 0.000 1.068 202 M CA 2.332 57.600 55.300 -0.053 0.000 1.109 202 M CB -0.458 32.084 32.600 -0.097 0.000 1.342 202 M HN 0.406 nan 8.290 nan 0.000 0.405 203 T N 1.107 115.622 114.554 -0.065 0.000 2.652 203 T HA -0.118 4.228 4.350 -0.006 0.000 0.267 203 T C 1.821 176.478 174.700 -0.070 0.000 1.039 203 T CA 1.748 63.780 62.100 -0.114 0.000 1.153 203 T CB -0.610 68.138 68.868 -0.200 0.000 0.863 203 T HN 0.618 nan 8.240 nan 0.000 0.428 204 A N 1.493 124.291 122.820 -0.037 0.000 1.908 204 A HA 0.092 4.409 4.320 -0.006 0.000 0.218 204 A C 2.660 180.261 177.584 0.028 0.000 1.181 204 A CA 2.002 54.047 52.037 0.013 0.000 0.627 204 A CB -1.183 17.862 19.000 0.075 0.000 0.818 204 A HN 0.522 nan 8.150 nan 0.000 0.445 205 A N -0.625 122.212 122.820 0.029 0.000 1.902 205 A HA -0.137 4.179 4.320 -0.006 0.000 0.217 205 A C 2.258 179.886 177.584 0.073 0.000 1.181 205 A CA 1.899 53.962 52.037 0.042 0.000 0.623 205 A CB -0.521 18.499 19.000 0.033 0.000 0.818 205 A HN 0.545 nan 8.150 nan 0.000 0.443 206 M N -0.859 118.793 119.600 0.086 0.000 2.254 206 M HA 0.024 4.500 4.480 -0.006 0.000 0.265 206 M C 1.996 178.418 176.300 0.204 0.000 1.066 206 M CA 0.843 56.263 55.300 0.200 0.000 1.123 206 M CB -0.353 32.317 32.600 0.118 0.000 1.388 206 M HN 0.347 nan 8.290 nan 0.000 0.425 207 L N -0.276 120.994 121.223 0.080 0.000 2.046 207 L HA -0.207 4.129 4.340 -0.006 0.000 0.208 207 L C 2.596 179.508 176.870 0.069 0.000 1.077 207 L CA 1.431 56.306 54.840 0.060 0.000 0.747 207 L CB -0.499 41.558 42.059 -0.003 0.000 0.896 207 L HN 0.260 nan 8.230 nan 0.000 0.432 208 R N -0.466 120.067 120.500 0.055 0.000 2.092 208 R HA -0.159 4.177 4.340 -0.006 0.000 0.231 208 R C 2.248 178.564 176.300 0.027 0.000 1.119 208 R CA 1.109 57.231 56.100 0.036 0.000 0.970 208 R CB -0.239 30.079 30.300 0.029 0.000 0.864 208 R HN 0.483 nan 8.270 nan 0.000 0.440 209 Q N -0.187 119.641 119.800 0.045 0.000 2.291 209 Q HA -0.050 4.286 4.340 -0.006 0.000 0.206 209 Q C 1.574 177.535 176.000 -0.064 0.000 0.976 209 Q CA 1.273 57.060 55.803 -0.027 0.000 0.875 209 Q CB 0.127 28.840 28.738 -0.040 0.000 0.927 209 Q HN 0.318 nan 8.270 nan 0.000 0.450 210 A N -0.249 122.608 122.820 0.063 0.000 2.307 210 A HA 0.362 4.679 4.320 -0.006 0.000 0.218 210 A C 1.350 178.952 177.584 0.029 0.000 1.228 210 A CA 0.617 52.699 52.037 0.076 0.000 0.857 210 A CB -0.110 19.034 19.000 0.241 0.000 0.897 210 A HN 0.412 nan 8.150 nan 0.000 0.495 211 G N -1.456 107.349 108.800 0.009 0.000 2.141 211 G HA2 -0.191 3.765 3.960 -0.006 0.000 0.242 211 G HA3 -0.191 3.765 3.960 -0.006 0.000 0.242 211 G C 0.148 175.052 174.900 0.006 0.000 0.982 211 G CA 0.142 45.242 45.100 -0.000 0.000 0.662 211 G HN 0.719 nan 8.290 nan 0.000 0.527 212 V N 1.200 121.122 119.914 0.014 0.000 2.546 212 V HA 0.476 4.592 4.120 -0.006 0.000 0.284 212 V C 0.314 176.412 176.094 0.006 0.000 1.050 212 V CA -0.323 61.979 62.300 0.003 0.000 0.981 212 V CB 1.808 33.627 31.823 -0.006 0.000 0.990 212 V HN 0.369 nan 8.190 nan 0.000 0.474 213 D N 4.754 125.156 120.400 0.004 0.000 2.313 213 D HA 0.336 4.973 4.640 -0.006 0.000 0.239 213 D C -0.656 175.656 176.300 0.019 0.000 1.142 213 D CA -0.059 53.948 54.000 0.012 0.000 0.847 213 D CB 1.032 41.838 40.800 0.010 0.000 1.082 213 D HN 0.503 nan 8.370 nan 0.000 0.480 214 I N 2.894 123.484 120.570 0.033 0.000 2.466 214 I HA 0.269 4.435 4.170 -0.006 0.000 0.289 214 I C -1.406 174.752 176.117 0.068 0.000 1.026 214 I CA -0.798 60.536 61.300 0.058 0.000 1.078 214 I CB 1.750 39.792 38.000 0.070 0.000 1.249 214 I HN 0.159 nan 8.210 nan 0.000 0.429 215 D N 6.368 126.812 120.400 0.072 0.000 2.373 215 D HA 0.205 4.841 4.640 -0.006 0.000 0.227 215 D C -0.465 175.863 176.300 0.047 0.000 1.091 215 D CA -0.246 53.781 54.000 0.046 0.000 0.840 215 D CB 1.272 42.086 40.800 0.023 0.000 1.060 215 D HN 0.614 nan 8.370 nan 0.000 0.502 216 D N 1.170 121.589 120.400 0.032 0.000 2.593 216 D HA 0.062 4.698 4.640 -0.006 0.000 0.241 216 D C 0.515 176.757 176.300 -0.097 0.000 1.257 216 D CA -0.326 53.649 54.000 -0.043 0.000 0.828 216 D CB 0.123 41.000 40.800 0.128 0.000 1.049 216 D HN 0.075 nan 8.370 nan 0.000 0.490 217 S N -0.589 115.066 115.700 -0.075 0.000 2.481 217 S HA 0.003 4.470 4.470 -0.006 0.000 0.231 217 S C 0.739 175.280 174.600 -0.099 0.000 0.996 217 S CA 0.401 58.562 58.200 -0.065 0.000 0.942 217 S CB -0.018 63.158 63.200 -0.040 0.000 0.768 217 S HN 0.344 nan 8.310 nan 0.000 0.520 218 T N 3.814 118.273 114.554 -0.157 0.000 2.779 218 T HA 0.395 4.742 4.350 -0.006 0.000 0.280 218 T C -2.777 171.760 174.700 -0.272 0.000 0.987 218 T CA -1.578 60.419 62.100 -0.172 0.000 0.966 218 T CB 1.514 70.289 68.868 -0.154 0.000 0.933 218 T HN -0.089 nan 8.240 nan 0.000 0.442 219 P HA 0.143 nan 4.420 nan 0.000 0.264 219 P C 0.333 177.443 177.300 -0.317 0.000 1.183 219 P CA 0.244 63.208 63.100 -0.227 0.000 0.763 219 P CB 0.241 31.882 31.700 -0.100 0.000 0.807 220 N N -0.600 117.815 118.700 -0.475 0.000 2.878 220 N HA -0.200 4.536 4.740 -0.006 0.000 0.247 220 N C 0.012 175.098 175.510 -0.707 0.000 1.021 220 N CA 1.112 53.915 53.050 -0.411 0.000 0.873 220 N CB -1.133 37.347 38.487 -0.010 0.000 1.128 220 N HN 0.567 nan 8.380 nan 0.000 0.571 221 R N -0.080 119.755 120.500 -1.108 0.000 2.651 221 R HA 0.504 4.841 4.340 -0.006 0.000 0.278 221 R C -1.546 174.245 176.300 -0.848 0.000 1.010 221 R CA -0.598 55.093 56.100 -0.681 0.000 0.896 221 R CB 1.456 31.589 30.300 -0.278 0.000 1.211 221 R HN 0.099 nan 8.270 nan 0.000 0.456 222 W N 3.593 124.911 121.300 0.031 0.000 2.900 222 W HA 0.336 4.993 4.660 -0.005 0.000 0.336 222 W C -0.968 175.562 176.519 0.018 0.000 1.064 222 W CA -0.720 56.636 57.345 0.019 0.000 1.237 222 W CB 2.225 31.694 29.460 0.014 0.000 1.391 222 W HN 0.447 nan 8.180 nan 0.000 0.468 223 Q N 2.091 122.002 119.800 0.185 0.000 2.333 223 Q HA 0.510 4.846 4.340 -0.006 0.000 0.268 223 Q C -0.677 175.381 176.000 0.097 0.000 1.007 223 Q CA -0.800 55.075 55.803 0.120 0.000 0.810 223 Q CB 3.126 31.904 28.738 0.067 0.000 1.264 223 Q HN 0.128 nan 8.270 nan 0.000 0.452 224 V N 3.363 123.322 119.914 0.075 0.000 2.384 224 V HA 0.387 4.503 4.120 -0.006 0.000 0.287 224 V C -0.029 176.073 176.094 0.014 0.000 1.020 224 V CA -0.782 61.535 62.300 0.028 0.000 0.850 224 V CB 1.402 33.215 31.823 -0.017 0.000 0.987 224 V HN 0.668 nan 8.190 nan 0.000 0.436 225 R N 5.579 126.084 120.500 0.009 0.000 2.490 225 R HA 0.380 4.716 4.340 -0.006 0.000 0.278 225 R C -2.443 173.852 176.300 -0.009 0.000 1.069 225 R CA -1.660 54.445 56.100 0.008 0.000 1.080 225 R CB 0.788 31.095 30.300 0.011 0.000 1.030 225 R HN 0.440 nan 8.270 nan 0.000 0.491 226 P HA 0.101 nan 4.420 nan 0.000 0.268 226 P C -0.146 177.151 177.300 -0.005 0.000 1.205 226 P CA 0.163 63.261 63.100 -0.004 0.000 0.771 226 P CB 0.998 32.713 31.700 0.025 0.000 0.858 227 G N 2.277 111.069 108.800 -0.013 0.000 2.313 227 G HA2 0.347 4.304 3.960 -0.006 0.000 0.296 227 G HA3 0.347 4.304 3.960 -0.006 0.000 0.296 227 G C -3.384 171.512 174.900 -0.007 0.000 1.356 227 G CA -0.859 44.237 45.100 -0.005 0.000 0.833 227 G HN 0.393 nan 8.290 nan 0.000 0.552 228 P HA 0.471 nan 4.420 nan 0.000 0.274 228 P C -0.456 176.847 177.300 0.006 0.000 1.231 228 P CA -0.245 62.858 63.100 0.004 0.000 0.790 228 P CB 1.723 33.428 31.700 0.007 0.000 0.951 229 V N 2.160 122.083 119.914 0.015 0.000 2.350 229 V HA 0.419 4.535 4.120 -0.006 0.000 0.276 229 V C 0.775 176.899 176.094 0.048 0.000 1.028 229 V CA -0.768 61.553 62.300 0.035 0.000 0.860 229 V CB 0.739 32.583 31.823 0.036 0.000 0.990 229 V HN 0.752 nan 8.190 nan 0.000 0.453 230 A N 4.373 127.222 122.820 0.048 0.000 2.425 230 A HA 0.714 5.031 4.320 -0.006 0.000 0.249 230 A C 0.649 178.268 177.584 0.058 0.000 1.084 230 A CA 0.094 52.148 52.037 0.028 0.000 0.781 230 A CB 0.431 19.422 19.000 -0.016 0.000 1.019 230 A HN 1.302 nan 8.150 nan 0.000 0.490 231 A N 2.964 125.808 122.820 0.040 0.000 2.354 231 A HA 0.603 4.920 4.320 -0.006 0.000 0.281 231 A C 0.575 178.151 177.584 -0.013 0.000 1.174 231 A CA -0.317 51.755 52.037 0.058 0.000 0.828 231 A CB -0.015 19.014 19.000 0.049 0.000 1.099 231 A HN 1.082 nan 8.150 nan 0.000 0.516 232 R N 1.741 122.207 120.500 -0.057 0.000 2.781 232 R HA 0.644 4.981 4.340 -0.006 0.000 0.269 232 R C -0.716 175.411 176.300 -0.288 0.000 1.025 232 R CA -1.038 54.915 56.100 -0.245 0.000 0.914 232 R CB 1.218 31.236 30.300 -0.470 0.000 1.236 232 R HN 0.596 nan 8.270 nan 0.000 0.465 233 R N 0.968 121.292 120.500 -0.293 0.000 2.265 233 R HA 0.235 4.571 4.340 -0.006 0.000 0.314 233 R C -1.278 174.838 176.300 -0.306 0.000 1.053 233 R CA -0.349 55.650 56.100 -0.168 0.000 0.931 233 R CB 0.684 30.934 30.300 -0.084 0.000 1.024 233 R HN 0.557 nan 8.270 nan 0.000 0.457 234 W N 3.265 124.563 121.300 -0.004 0.000 2.433 234 W HA 0.290 4.947 4.660 -0.005 0.000 0.315 234 W C -0.390 176.126 176.519 -0.006 0.000 1.087 234 W CA -0.461 56.880 57.345 -0.006 0.000 1.205 234 W CB 1.357 30.814 29.460 -0.004 0.000 1.288 234 W HN 0.321 nan 8.180 nan 0.000 0.504 235 D N 3.795 124.305 120.400 0.183 0.000 2.381 235 D HA 0.235 4.872 4.640 -0.006 0.000 0.235 235 D C -0.330 176.039 176.300 0.114 0.000 1.068 235 D CA -0.350 53.717 54.000 0.111 0.000 0.832 235 D CB 1.635 42.464 40.800 0.049 0.000 1.101 235 D HN 0.009 nan 8.370 nan 0.000 0.515 236 I N 2.296 122.921 120.570 0.092 0.000 2.371 236 I HA 0.101 4.268 4.170 -0.006 0.000 0.290 236 I C 1.086 177.217 176.117 0.024 0.000 1.028 236 I CA -0.358 60.978 61.300 0.062 0.000 1.345 236 I CB 0.648 38.678 38.000 0.050 0.000 1.407 236 I HN 0.177 nan 8.210 nan 0.000 0.501 237 E N 7.259 127.458 120.200 -0.002 0.000 2.392 237 E HA 0.225 4.571 4.350 -0.006 0.000 0.259 237 E C -2.225 174.343 176.600 -0.054 0.000 1.108 237 E CA -1.510 54.864 56.400 -0.045 0.000 0.916 237 E CB 0.126 29.770 29.700 -0.093 0.000 0.989 237 E HN 0.333 nan 8.360 nan 0.000 0.432 238 P HA -0.111 nan 4.420 nan 0.000 0.267 238 P C -0.621 176.625 177.300 -0.089 0.000 1.200 238 P CA 0.198 63.261 63.100 -0.061 0.000 0.772 238 P CB 0.404 32.070 31.700 -0.057 0.000 0.855 239 D N 2.623 123.008 120.400 -0.026 0.000 2.342 239 D HA 0.019 4.655 4.640 -0.006 0.000 0.260 239 D C 1.044 177.332 176.300 -0.020 0.000 1.278 239 D CA 0.135 54.130 54.000 -0.009 0.000 0.910 239 D CB 0.454 41.286 40.800 0.053 0.000 1.079 239 D HN 0.281 nan 8.370 nan 0.000 0.496 240 L N 2.806 123.964 121.223 -0.109 0.000 2.313 240 L HA -0.090 4.247 4.340 -0.006 0.000 0.214 240 L C 2.336 179.251 176.870 0.075 0.000 1.119 240 L CA 0.520 55.282 54.840 -0.130 0.000 0.809 240 L CB -0.306 41.541 42.059 -0.355 0.000 0.933 240 L HN 0.350 nan 8.230 nan 0.000 0.449 241 T N -0.268 114.330 114.554 0.074 0.000 2.737 241 T HA -0.147 4.199 4.350 -0.006 0.000 0.265 241 T C 1.647 176.427 174.700 0.132 0.000 1.038 241 T CA 1.669 63.831 62.100 0.104 0.000 1.144 241 T CB -0.310 68.608 68.868 0.083 0.000 0.866 241 T HN 0.412 nan 8.240 nan 0.000 0.434 242 N N 1.038 119.828 118.700 0.150 0.000 2.166 242 N HA -0.048 4.689 4.740 -0.006 0.000 0.186 242 N C 2.121 177.869 175.510 0.395 0.000 1.019 242 N CA 0.817 54.011 53.050 0.240 0.000 0.856 242 N CB -0.176 38.465 38.487 0.257 0.000 0.993 242 N HN 0.343 nan 8.380 nan 0.000 0.426 243 A N 0.614 123.638 122.820 0.340 0.000 1.978 243 A HA -0.105 4.211 4.320 -0.006 0.000 0.220 243 A C 2.283 180.128 177.584 0.435 0.000 1.170 243 A CA 1.073 53.367 52.037 0.428 0.000 0.636 243 A CB -0.611 18.649 19.000 0.432 0.000 0.810 243 A HN 0.124 nan 8.150 nan 0.000 0.448 244 V N -0.360 119.746 119.914 0.321 0.000 2.515 244 V HA -0.227 3.889 4.120 -0.006 0.000 0.250 244 V C 2.976 179.202 176.094 0.219 0.000 1.058 244 V CA 1.667 64.108 62.300 0.235 0.000 1.064 244 V CB -1.052 30.870 31.823 0.165 0.000 0.675 244 V HN 0.628 nan 8.190 nan 0.000 0.461 245 A N -0.196 122.764 122.820 0.233 0.000 1.902 245 A HA -0.172 4.144 4.320 -0.006 0.000 0.217 245 A C 1.988 179.757 177.584 0.308 0.000 1.181 245 A CA 1.809 53.949 52.037 0.172 0.000 0.623 245 A CB -0.648 18.362 19.000 0.017 0.000 0.818 245 A HN 0.493 nan 8.150 nan 0.000 0.443 246 F N -0.053 120.135 119.950 0.397 0.000 2.163 246 F HA -0.017 4.506 4.527 -0.006 0.000 0.297 246 F C 2.060 177.923 175.800 0.105 0.000 1.094 246 F CA 1.018 59.173 58.000 0.258 0.000 1.290 246 F CB -0.524 38.581 39.000 0.175 0.000 1.017 246 F HN 0.067 nan 8.300 nan 0.000 0.483 247 L N -0.861 120.532 121.223 0.282 0.000 2.131 247 L HA -0.215 4.122 4.340 -0.006 0.000 0.210 247 L C 2.404 179.320 176.870 0.076 0.000 1.092 247 L CA 1.025 55.938 54.840 0.122 0.000 0.759 247 L CB -0.848 41.255 42.059 0.074 0.000 0.903 247 L HN 0.066 nan 8.230 nan 0.000 0.435 248 S N 0.016 115.783 115.700 0.113 0.000 2.400 248 S HA -0.189 4.278 4.470 -0.006 0.000 0.232 248 S C 2.227 176.882 174.600 0.091 0.000 1.025 248 S CA 1.136 59.386 58.200 0.082 0.000 0.993 248 S CB -0.264 63.004 63.200 0.114 0.000 0.808 248 S HN 0.525 nan 8.310 nan 0.000 0.478 249 A N 1.581 124.461 122.820 0.099 0.000 1.902 249 A HA 0.062 4.379 4.320 -0.006 0.000 0.217 249 A C 2.364 179.952 177.584 0.005 0.000 1.181 249 A CA 1.696 53.749 52.037 0.027 0.000 0.623 249 A CB -1.047 17.859 19.000 -0.157 0.000 0.818 249 A HN 0.525 nan 8.150 nan 0.000 0.443 250 A N -0.574 122.244 122.820 -0.002 0.000 1.902 250 A HA 0.000 4.317 4.320 -0.006 0.000 0.217 250 A C 2.236 179.821 177.584 0.002 0.000 1.181 250 A CA 1.799 53.829 52.037 -0.012 0.000 0.623 250 A CB -0.914 18.070 19.000 -0.027 0.000 0.818 250 A HN 0.387 nan 8.150 nan 0.000 0.443 251 V N 0.235 120.147 119.914 -0.003 0.000 2.295 251 V HA -0.233 3.883 4.120 -0.006 0.000 0.246 251 V C 2.656 178.804 176.094 0.090 0.000 1.049 251 V CA 2.105 64.393 62.300 -0.021 0.000 1.024 251 V CB -0.820 30.928 31.823 -0.124 0.000 0.648 251 V HN 0.622 nan 8.190 nan 0.000 0.447 252 V N -0.947 119.044 119.914 0.129 0.000 3.306 252 V HA 0.034 4.150 4.120 -0.006 0.000 0.264 252 V C 1.928 178.104 176.094 0.138 0.000 1.149 252 V CA 1.550 63.982 62.300 0.220 0.000 1.143 252 V CB -0.174 31.767 31.823 0.198 0.000 0.767 252 V HN 0.608 nan 8.190 nan 0.000 0.476 253 S N -0.648 115.101 115.700 0.082 0.000 2.539 253 S HA 0.461 4.927 4.470 -0.006 0.000 0.221 253 S C 1.660 176.282 174.600 0.037 0.000 0.987 253 S CA 0.602 58.831 58.200 0.048 0.000 0.929 253 S CB 0.401 63.612 63.200 0.018 0.000 0.832 253 S HN 1.748 nan 8.310 nan 0.000 0.492 254 G N 0.547 109.376 108.800 0.048 0.000 2.143 254 G HA2 -0.109 3.847 3.960 -0.006 0.000 0.248 254 G HA3 -0.109 3.847 3.960 -0.006 0.000 0.248 254 G C 0.499 175.405 174.900 0.009 0.000 0.991 254 G CA 0.080 45.200 45.100 0.033 0.000 0.689 254 G HN 1.043 nan 8.290 nan 0.000 0.522 255 G N -1.544 107.255 108.800 -0.001 0.000 2.641 255 G HA2 0.704 4.661 3.960 -0.006 0.000 0.239 255 G HA3 0.704 4.661 3.960 -0.006 0.000 0.239 255 G C -0.348 174.536 174.900 -0.027 0.000 1.402 255 G CA 0.408 45.498 45.100 -0.017 0.000 1.046 255 G HN 0.782 nan 8.290 nan 0.000 0.565 256 T N -0.284 114.248 114.554 -0.036 0.000 3.031 256 T HA 0.503 4.849 4.350 -0.006 0.000 0.305 256 T C -1.037 173.634 174.700 -0.049 0.000 0.985 256 T CA -0.197 61.876 62.100 -0.044 0.000 1.008 256 T CB 1.689 70.531 68.868 -0.043 0.000 1.005 256 T HN 0.335 nan 8.240 nan 0.000 0.444 257 V N 4.080 123.963 119.914 -0.052 0.000 2.604 257 V HA 0.581 4.697 4.120 -0.006 0.000 0.305 257 V C -0.147 175.910 176.094 -0.062 0.000 1.043 257 V CA -0.959 61.315 62.300 -0.045 0.000 0.888 257 V CB 2.104 33.920 31.823 -0.012 0.000 0.995 257 V HN 0.695 nan 8.190 nan 0.000 0.429 258 R N 4.374 124.838 120.500 -0.059 0.000 2.514 258 R HA 0.646 4.982 4.340 -0.006 0.000 0.301 258 R C -1.263 175.012 176.300 -0.042 0.000 0.962 258 R CA -0.807 55.252 56.100 -0.068 0.000 0.882 258 R CB 1.962 32.228 30.300 -0.057 0.000 1.143 258 R HN 0.464 nan 8.270 nan 0.000 0.452 259 I N 2.854 123.411 120.570 -0.022 0.000 2.339 259 I HA 0.139 4.305 4.170 -0.006 0.000 0.290 259 I C 0.900 177.076 176.117 0.098 0.000 0.994 259 I CA -0.493 60.845 61.300 0.062 0.000 1.191 259 I CB 1.386 39.522 38.000 0.226 0.000 1.343 259 I HN 0.667 nan 8.210 nan 0.000 0.458 260 T N 1.020 115.611 114.554 0.062 0.000 2.913 260 T HA 0.474 4.821 4.350 -0.006 0.000 0.297 260 T C 1.058 175.824 174.700 0.109 0.000 1.029 260 T CA 0.201 62.342 62.100 0.068 0.000 1.104 260 T CB 1.444 70.328 68.868 0.026 0.000 0.964 260 T HN 1.105 nan 8.240 nan 0.000 0.532 261 G N 1.336 110.205 108.800 0.115 0.000 2.176 261 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.252 261 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.252 261 G C -0.012 174.981 174.900 0.154 0.000 1.024 261 G CA -0.068 45.095 45.100 0.105 0.000 0.755 261 G HN 0.944 nan 8.290 nan 0.000 0.507 262 W N 2.251 123.564 121.300 0.022 0.000 2.303 262 W HA 0.438 5.095 4.660 -0.006 0.000 0.318 262 W C -1.746 174.813 176.519 0.068 0.000 1.362 262 W CA -1.383 55.984 57.345 0.038 0.000 1.234 262 W CB 0.814 30.286 29.460 0.020 0.000 1.248 262 W HN 0.228 nan 8.180 nan 0.000 0.546 263 P HA 0.110 nan 4.420 nan 0.000 0.281 263 P C 0.276 177.693 177.300 0.195 0.000 1.252 263 P CA 0.054 63.169 63.100 0.025 0.000 0.778 263 P CB 1.212 32.847 31.700 -0.107 0.000 0.895 264 R N 2.678 123.300 120.500 0.202 0.000 2.148 264 R HA 0.065 4.401 4.340 -0.006 0.000 0.223 264 R C 0.122 176.485 176.300 0.104 0.000 1.088 264 R CA 0.976 57.185 56.100 0.181 0.000 0.985 264 R CB 0.082 30.415 30.300 0.055 0.000 0.880 264 R HN 0.325 nan 8.270 nan 0.000 0.451 265 V N 0.872 120.826 119.914 0.065 0.000 2.376 265 V HA 0.323 4.439 4.120 -0.006 0.000 0.287 265 V C -0.802 175.301 176.094 0.014 0.000 1.015 265 V CA -0.683 61.640 62.300 0.038 0.000 0.834 265 V CB 1.323 33.159 31.823 0.021 0.000 1.001 265 V HN 0.173 nan 8.190 nan 0.000 0.428 266 S N 3.044 118.746 115.700 0.003 0.000 2.532 266 S HA 0.502 4.968 4.470 -0.006 0.000 0.301 266 S C 0.854 175.433 174.600 -0.034 0.000 1.083 266 S CA -0.176 57.998 58.200 -0.043 0.000 1.025 266 S CB 2.086 65.221 63.200 -0.108 0.000 1.056 266 S HN 0.930 nan 8.310 nan 0.000 0.494 267 V N 1.599 121.488 119.914 -0.041 0.000 3.510 267 V HA 0.232 4.348 4.120 -0.006 0.000 0.270 267 V C 0.528 176.569 176.094 -0.087 0.000 1.201 267 V CA 0.589 62.865 62.300 -0.040 0.000 1.166 267 V CB -1.435 30.379 31.823 -0.015 0.000 0.825 267 V HN 0.756 nan 8.190 nan 0.000 0.484 268 Q N 1.488 121.224 119.800 -0.108 0.000 2.193 268 Q HA 0.409 4.745 4.340 -0.006 0.000 0.246 268 Q C -2.293 173.648 176.000 -0.099 0.000 0.959 268 Q CA -2.206 53.508 55.803 -0.148 0.000 0.904 268 Q CB 1.240 29.887 28.738 -0.152 0.000 1.238 268 Q HN 0.178 nan 8.270 nan 0.000 0.469 269 P HA 0.041 nan 4.420 nan 0.000 0.225 269 P C -0.262 177.099 177.300 0.102 0.000 1.768 269 P CA 0.299 63.400 63.100 0.001 0.000 0.943 269 P CB -0.155 31.497 31.700 -0.081 0.000 1.936 270 A N 1.444 124.321 122.820 0.095 0.000 1.940 270 A HA -0.197 4.120 4.320 -0.006 0.000 0.219 270 A C 1.865 179.613 177.584 0.275 0.000 1.176 270 A CA 1.652 53.821 52.037 0.220 0.000 0.631 270 A CB -0.686 18.454 19.000 0.234 0.000 0.814 270 A HN 0.195 nan 8.150 nan 0.000 0.446 271 D N -1.211 119.320 120.400 0.219 0.000 2.144 271 D HA -0.088 4.548 4.640 -0.006 0.000 0.200 271 D C 1.666 178.046 176.300 0.134 0.000 0.978 271 D CA 1.335 55.435 54.000 0.168 0.000 0.833 271 D CB -0.450 40.416 40.800 0.112 0.000 0.961 271 D HN 0.645 nan 8.370 nan 0.000 0.470 272 H N 0.307 119.427 119.070 0.082 0.000 2.353 272 H HA 0.014 4.566 4.556 -0.006 0.000 0.300 272 H C 2.212 177.583 175.328 0.073 0.000 1.090 272 H CA 0.910 56.999 56.048 0.068 0.000 1.327 272 H CB -0.144 29.657 29.762 0.065 0.000 1.383 272 H HN 0.111 nan 8.280 nan 0.000 0.508 273 I N -0.063 120.652 120.570 0.241 0.000 2.179 273 I HA -0.251 3.915 4.170 -0.006 0.000 0.242 273 I C 1.869 178.062 176.117 0.127 0.000 1.088 273 I CA 1.101 62.515 61.300 0.190 0.000 1.357 273 I CB -0.181 37.975 38.000 0.260 0.000 1.051 273 I HN 0.203 nan 8.210 nan 0.000 0.409 274 L N 0.245 121.552 121.223 0.141 0.000 2.141 274 L HA -0.139 4.197 4.340 -0.006 0.000 0.209 274 L C 2.801 179.673 176.870 0.005 0.000 1.094 274 L CA 1.020 55.887 54.840 0.045 0.000 0.763 274 L CB -0.783 41.311 42.059 0.058 0.000 0.908 274 L HN 0.233 nan 8.230 nan 0.000 0.437 275 A N 0.536 123.367 122.820 0.019 0.000 1.933 275 A HA -0.160 4.156 4.320 -0.006 0.000 0.218 275 A C 2.210 179.768 177.584 -0.043 0.000 1.175 275 A CA 1.395 53.420 52.037 -0.020 0.000 0.628 275 A CB -0.529 18.447 19.000 -0.040 0.000 0.814 275 A HN 0.323 nan 8.150 nan 0.000 0.444 276 I N -0.296 120.255 120.570 -0.032 0.000 2.202 276 I HA -0.250 3.916 4.170 -0.006 0.000 0.242 276 I C 2.350 178.369 176.117 -0.163 0.000 1.091 276 I CA 1.041 62.289 61.300 -0.088 0.000 1.368 276 I CB -0.299 37.671 38.000 -0.051 0.000 1.058 276 I HN 0.290 nan 8.210 nan 0.000 0.410 277 L N 0.106 121.254 121.223 -0.126 0.000 2.042 277 L HA -0.231 4.105 4.340 -0.006 0.000 0.210 277 L C 2.674 179.447 176.870 -0.161 0.000 1.076 277 L CA 1.528 56.271 54.840 -0.163 0.000 0.749 277 L CB -0.638 41.348 42.059 -0.123 0.000 0.893 277 L HN 0.173 nan 8.230 nan 0.000 0.432 278 R N -0.435 119.997 120.500 -0.113 0.000 2.193 278 R HA -0.154 4.182 4.340 -0.006 0.000 0.229 278 R C 2.265 178.510 176.300 -0.092 0.000 1.110 278 R CA 0.811 56.857 56.100 -0.090 0.000 0.988 278 R CB -0.229 30.036 30.300 -0.058 0.000 0.871 278 R HN 0.484 nan 8.270 nan 0.000 0.458 279 Q N 0.081 119.813 119.800 -0.114 0.000 2.181 279 Q HA -0.149 4.187 4.340 -0.006 0.000 0.205 279 Q C 0.927 176.853 176.000 -0.122 0.000 0.980 279 Q CA 1.055 56.795 55.803 -0.104 0.000 0.862 279 Q CB 0.084 28.740 28.738 -0.136 0.000 0.905 279 Q HN 0.194 nan 8.270 nan 0.000 0.429 280 L N 0.171 121.262 121.223 -0.221 0.000 2.629 280 L HA 0.079 4.415 4.340 -0.006 0.000 0.230 280 L C -0.207 176.601 176.870 -0.104 0.000 1.151 280 L CA 0.574 55.280 54.840 -0.223 0.000 0.924 280 L CB -0.411 41.330 42.059 -0.530 0.000 1.137 280 L HN 0.210 nan 8.230 nan 0.000 0.457 281 N N -1.680 116.978 118.700 -0.070 0.000 2.782 281 N HA -0.187 4.549 4.740 -0.006 0.000 0.251 281 N C 0.377 175.861 175.510 -0.044 0.000 1.101 281 N CA 0.546 53.577 53.050 -0.031 0.000 0.764 281 N CB -0.962 37.536 38.487 0.018 0.000 1.122 281 N HN 0.422 nan 8.380 nan 0.000 0.561 282 A N 0.023 122.790 122.820 -0.088 0.000 2.462 282 A HA 0.445 4.761 4.320 -0.006 0.000 0.243 282 A C 0.632 178.171 177.584 -0.074 0.000 1.076 282 A CA -0.037 51.948 52.037 -0.087 0.000 0.773 282 A CB 0.589 19.516 19.000 -0.123 0.000 1.010 282 A HN 0.113 nan 8.150 nan 0.000 0.493 283 V N 3.632 123.507 119.914 -0.066 0.000 2.406 283 V HA 0.301 4.417 4.120 -0.006 0.000 0.272 283 V C -0.028 176.009 176.094 -0.096 0.000 1.043 283 V CA -0.197 62.064 62.300 -0.065 0.000 0.915 283 V CB 1.080 32.874 31.823 -0.049 0.000 0.988 283 V HN 0.584 nan 8.190 nan 0.000 0.466 284 V N 7.092 126.943 119.914 -0.105 0.000 2.417 284 V HA 0.576 4.693 4.120 -0.006 0.000 0.291 284 V C -0.113 175.889 176.094 -0.154 0.000 1.024 284 V CA -0.464 61.736 62.300 -0.166 0.000 0.861 284 V CB 1.621 33.333 31.823 -0.185 0.000 0.985 284 V HN 0.784 nan 8.190 nan 0.000 0.436 285 I N 1.268 121.716 120.570 -0.204 0.000 2.828 285 I HA 0.678 4.844 4.170 -0.006 0.000 0.302 285 I C -1.201 174.769 176.117 -0.244 0.000 1.101 285 I CA -0.844 60.377 61.300 -0.133 0.000 1.031 285 I CB 2.549 40.507 38.000 -0.069 0.000 1.231 285 I HN 0.550 nan 8.210 nan 0.000 0.427 286 H N 4.095 123.098 119.070 -0.111 0.000 2.552 286 H HA 0.839 5.392 4.556 -0.006 0.000 0.311 286 H C -0.342 174.955 175.328 -0.051 0.000 1.071 286 H CA -0.130 55.863 56.048 -0.092 0.000 1.307 286 H CB 1.578 31.312 29.762 -0.045 0.000 1.416 286 H HN 0.879 nan 8.280 nan 0.000 0.464 287 A N 2.513 125.360 122.820 0.046 0.000 2.517 287 A HA 0.417 4.733 4.320 -0.006 0.000 0.297 287 A C -0.727 176.874 177.584 0.029 0.000 1.050 287 A CA -0.874 51.181 52.037 0.030 0.000 0.694 287 A CB 0.935 19.933 19.000 -0.002 0.000 1.277 287 A HN 0.886 nan 8.150 nan 0.000 0.400 288 D N 2.291 122.711 120.400 0.033 0.000 2.772 288 D HA -0.250 4.386 4.640 -0.006 0.000 0.233 288 D C 0.710 177.037 176.300 0.045 0.000 1.143 288 D CA 1.843 55.861 54.000 0.029 0.000 0.700 288 D CB -1.623 39.186 40.800 0.015 0.000 1.076 288 D HN 1.899 nan 8.370 nan 0.000 0.430 289 S N -3.169 112.573 115.700 0.069 0.000 3.476 289 S HA -0.292 4.175 4.470 -0.006 0.000 0.309 289 S C 0.290 174.962 174.600 0.120 0.000 1.222 289 S CA 1.478 59.736 58.200 0.098 0.000 0.922 289 S CB -2.212 61.032 63.200 0.073 0.000 1.023 289 S HN 1.267 nan 8.310 nan 0.000 0.591 290 S N 0.107 115.861 115.700 0.090 0.000 2.638 290 S HA 0.840 5.307 4.470 -0.006 0.000 0.302 290 S C -0.751 173.830 174.600 -0.032 0.000 1.096 290 S CA -0.827 57.413 58.200 0.067 0.000 0.953 290 S CB 2.039 65.251 63.200 0.019 0.000 1.107 290 S HN 1.202 nan 8.310 nan 0.000 0.503 291 L N 1.628 122.767 121.223 -0.140 0.000 2.313 291 L HA 0.637 4.973 4.340 -0.006 0.000 0.283 291 L C -0.372 176.289 176.870 -0.350 0.000 1.013 291 L CA -0.141 54.408 54.840 -0.485 0.000 0.816 291 L CB 1.438 42.813 42.059 -1.141 0.000 1.236 291 L HN 0.951 nan 8.230 nan 0.000 0.419 292 E N 3.953 123.963 120.200 -0.316 0.000 2.171 292 E HA 0.591 4.937 4.350 -0.006 0.000 0.271 292 E C -1.809 174.656 176.600 -0.225 0.000 0.916 292 E CA -0.767 55.508 56.400 -0.209 0.000 0.774 292 E CB 1.833 31.452 29.700 -0.135 0.000 1.128 292 E HN 0.473 nan 8.360 nan 0.000 0.403 293 V N 4.858 124.668 119.914 -0.174 0.000 2.531 293 V HA 0.452 4.569 4.120 -0.006 0.000 0.301 293 V C -0.561 175.475 176.094 -0.098 0.000 1.034 293 V CA -0.783 61.427 62.300 -0.151 0.000 0.865 293 V CB 1.633 33.365 31.823 -0.151 0.000 0.995 293 V HN 0.672 nan 8.190 nan 0.000 0.424 294 R N 2.755 123.205 120.500 -0.084 0.000 2.343 294 R HA 0.624 4.960 4.340 -0.006 0.000 0.320 294 R C 0.493 176.766 176.300 -0.046 0.000 0.956 294 R CA -0.214 55.852 56.100 -0.056 0.000 0.836 294 R CB 1.811 32.082 30.300 -0.048 0.000 1.151 294 R HN 0.918 nan 8.270 nan 0.000 0.450 295 G N 3.788 112.570 108.800 -0.030 0.000 2.527 295 G HA2 0.277 4.234 3.960 -0.006 0.000 0.248 295 G HA3 0.277 4.234 3.960 -0.006 0.000 0.248 295 G C -2.107 172.799 174.900 0.010 0.000 1.231 295 G CA -0.881 44.211 45.100 -0.014 0.000 0.838 295 G HN 0.348 nan 8.290 nan 0.000 0.570 296 P HA 0.139 nan 4.420 nan 0.000 0.277 296 P C 1.126 178.473 177.300 0.078 0.000 1.271 296 P CA -0.120 63.014 63.100 0.058 0.000 0.795 296 P CB 0.802 32.554 31.700 0.087 0.000 1.101 297 T N -3.027 111.563 114.554 0.061 0.000 2.962 297 T HA 0.210 4.556 4.350 -0.006 0.000 0.270 297 T C 1.007 175.744 174.700 0.061 0.000 1.088 297 T CA 0.851 62.981 62.100 0.050 0.000 1.127 297 T CB -0.706 68.180 68.868 0.031 0.000 0.883 297 T HN 0.736 nan 8.240 nan 0.000 0.493 298 G N 0.056 108.912 108.800 0.093 0.000 2.523 298 G HA2 0.543 4.500 3.960 -0.006 0.000 0.291 298 G HA3 0.543 4.500 3.960 -0.006 0.000 0.291 298 G C -2.035 172.970 174.900 0.176 0.000 1.450 298 G CA -1.002 44.142 45.100 0.074 0.000 0.790 298 G HN 0.491 nan 8.290 nan 0.000 0.496 299 Y N -1.113 119.219 120.300 0.053 0.000 2.571 299 Y HA 0.792 5.338 4.550 -0.006 0.000 0.341 299 Y C -0.796 175.161 175.900 0.094 0.000 1.076 299 Y CA -1.487 56.657 58.100 0.074 0.000 1.029 299 Y CB 1.203 39.716 38.460 0.089 0.000 1.308 299 Y HN 0.435 nan 8.280 nan 0.000 0.461 300 D N 0.548 121.082 120.400 0.224 0.000 2.539 300 D HA 0.413 5.049 4.640 -0.006 0.000 0.280 300 D C 0.142 176.593 176.300 0.251 0.000 1.208 300 D CA -0.170 53.912 54.000 0.136 0.000 1.088 300 D CB 0.739 41.599 40.800 0.099 0.000 1.149 300 D HN 0.953 nan 8.370 nan 0.000 0.596 301 G N -0.960 107.908 108.800 0.114 0.000 2.569 301 G HA2 0.476 4.432 3.960 -0.006 0.000 0.249 301 G HA3 0.476 4.432 3.960 -0.006 0.000 0.249 301 G C -0.824 174.154 174.900 0.131 0.000 1.216 301 G CA -0.225 44.887 45.100 0.020 0.000 0.845 301 G HN 0.335 nan 8.290 nan 0.000 0.568 302 F N -1.244 118.759 119.950 0.089 0.000 2.613 302 F HA 0.621 5.144 4.527 -0.007 0.000 0.310 302 F C -1.306 174.526 175.800 0.053 0.000 1.085 302 F CA -1.812 56.228 58.000 0.068 0.000 0.945 302 F CB 1.665 40.705 39.000 0.067 0.000 1.298 302 F HN 0.222 nan 8.300 nan 0.000 0.455 303 D N 1.724 122.273 120.400 0.248 0.000 2.217 303 D HA 0.574 5.211 4.640 -0.006 0.000 0.243 303 D C -1.193 175.249 176.300 0.236 0.000 1.054 303 D CA -0.263 53.839 54.000 0.171 0.000 0.838 303 D CB 2.341 43.198 40.800 0.095 0.000 1.162 303 D HN 0.638 nan 8.370 nan 0.000 0.472 304 V N 1.910 121.956 119.914 0.220 0.000 2.808 304 V HA 0.266 4.383 4.120 -0.006 0.000 0.308 304 V C -1.629 174.549 176.094 0.140 0.000 1.099 304 V CA -0.796 61.620 62.300 0.192 0.000 0.920 304 V CB 2.390 34.360 31.823 0.246 0.000 1.014 304 V HN 0.405 nan 8.190 nan 0.000 0.425 305 D N 5.208 125.678 120.400 0.118 0.000 2.313 305 D HA 0.334 4.970 4.640 -0.006 0.000 0.239 305 D C 0.392 176.768 176.300 0.127 0.000 1.142 305 D CA 0.067 54.132 54.000 0.109 0.000 0.847 305 D CB 1.394 42.254 40.800 0.098 0.000 1.082 305 D HN 0.568 nan 8.370 nan 0.000 0.480 306 L N 3.828 125.120 121.223 0.115 0.000 2.769 306 L HA 0.200 4.537 4.340 -0.006 0.000 0.240 306 L C 1.989 178.932 176.870 0.121 0.000 1.163 306 L CA -0.320 54.591 54.840 0.118 0.000 0.962 306 L CB 0.099 42.216 42.059 0.097 0.000 1.258 306 L HN 0.242 nan 8.230 nan 0.000 0.513 307 R N 1.928 122.498 120.500 0.118 0.000 2.117 307 R HA -0.176 4.160 4.340 -0.006 0.000 0.243 307 R C 1.955 178.302 176.300 0.079 0.000 1.143 307 R CA 2.110 58.277 56.100 0.112 0.000 0.968 307 R CB -0.254 30.094 30.300 0.079 0.000 0.863 307 R HN 0.315 nan 8.270 nan 0.000 0.444 308 A N -0.541 122.308 122.820 0.049 0.000 2.132 308 A HA 0.176 4.492 4.320 -0.006 0.000 0.213 308 A C 0.733 178.281 177.584 -0.060 0.000 1.154 308 A CA 0.648 52.655 52.037 -0.050 0.000 0.753 308 A CB 0.355 19.242 19.000 -0.188 0.000 0.826 308 A HN 0.295 nan 8.150 nan 0.000 0.469 309 V N -3.950 115.974 119.914 0.016 0.000 2.656 309 V HA 0.525 4.641 4.120 -0.006 0.000 0.312 309 V C 0.992 177.150 176.094 0.108 0.000 1.181 309 V CA 0.035 62.371 62.300 0.061 0.000 1.250 309 V CB -0.416 31.425 31.823 0.029 0.000 1.468 309 V HN 0.196 nan 8.190 nan 0.000 0.651 310 G N 1.997 110.887 108.800 0.151 0.000 2.448 310 G HA2 -0.209 3.748 3.960 -0.006 0.000 0.219 310 G HA3 -0.209 3.748 3.960 -0.006 0.000 0.219 310 G C 1.122 176.074 174.900 0.087 0.000 1.127 310 G CA 1.098 46.261 45.100 0.106 0.000 0.766 310 G HN 0.887 nan 8.290 nan 0.000 0.552 311 E N 0.382 120.656 120.200 0.124 0.000 2.472 311 E HA 0.030 4.376 4.350 -0.006 0.000 0.200 311 E C 1.904 178.523 176.600 0.031 0.000 1.046 311 E CA 0.147 56.590 56.400 0.072 0.000 0.871 311 E CB -0.296 29.413 29.700 0.016 0.000 0.806 311 E HN 0.458 nan 8.360 nan 0.000 0.533 312 L N 1.074 122.329 121.223 0.053 0.000 2.552 312 L HA -0.005 4.331 4.340 -0.006 0.000 0.227 312 L C 2.013 178.908 176.870 0.041 0.000 1.146 312 L CA 0.660 55.530 54.840 0.049 0.000 0.858 312 L CB -0.381 41.721 42.059 0.071 0.000 0.969 312 L HN 0.149 nan 8.230 nan 0.000 0.451 313 T N 0.524 115.098 114.554 0.033 0.000 2.684 313 T HA -0.114 4.233 4.350 -0.006 0.000 0.267 313 T C -0.411 174.311 174.700 0.037 0.000 1.036 313 T CA 1.448 63.568 62.100 0.033 0.000 1.148 313 T CB -0.961 67.903 68.868 -0.007 0.000 0.863 313 T HN 0.234 nan 8.240 nan 0.000 0.436 314 P HA -0.047 nan 4.420 nan 0.000 0.214 314 P C 1.783 179.101 177.300 0.030 0.000 1.163 314 P CA 1.215 64.334 63.100 0.032 0.000 0.889 314 P CB -0.152 31.540 31.700 -0.013 0.000 0.790 315 S N -0.887 114.815 115.700 0.002 0.000 2.382 315 S HA -0.097 4.369 4.470 -0.006 0.000 0.228 315 S C 1.986 176.623 174.600 0.061 0.000 1.027 315 S CA 1.160 59.367 58.200 0.012 0.000 0.991 315 S CB -1.156 62.051 63.200 0.012 0.000 0.823 315 S HN -0.039 nan 8.310 nan 0.000 0.469 316 V N 1.762 121.726 119.914 0.084 0.000 2.548 316 V HA -0.081 4.035 4.120 -0.006 0.000 0.249 316 V C 2.571 178.801 176.094 0.226 0.000 1.055 316 V CA 1.345 63.732 62.300 0.146 0.000 1.065 316 V CB -1.097 30.812 31.823 0.144 0.000 0.681 316 V HN 0.516 nan 8.190 nan 0.000 0.462 317 A N 0.331 123.245 122.820 0.156 0.000 1.902 317 A HA -0.155 4.162 4.320 -0.006 0.000 0.217 317 A C 2.450 180.127 177.584 0.156 0.000 1.181 317 A CA 2.113 54.239 52.037 0.149 0.000 0.623 317 A CB -0.779 18.295 19.000 0.123 0.000 0.818 317 A HN 0.554 nan 8.150 nan 0.000 0.443 318 A N -0.147 122.745 122.820 0.120 0.000 1.908 318 A HA -0.084 4.233 4.320 -0.006 0.000 0.218 318 A C 2.167 179.842 177.584 0.151 0.000 1.181 318 A CA 1.577 53.660 52.037 0.077 0.000 0.627 318 A CB -0.671 18.311 19.000 -0.029 0.000 0.818 318 A HN 0.495 nan 8.150 nan 0.000 0.445 319 L N -0.822 120.523 121.223 0.204 0.000 2.042 319 L HA -0.219 4.117 4.340 -0.006 0.000 0.210 319 L C 3.084 180.252 176.870 0.497 0.000 1.076 319 L CA 1.138 56.169 54.840 0.319 0.000 0.749 319 L CB -0.637 41.536 42.059 0.190 0.000 0.893 319 L HN 0.440 nan 8.230 nan 0.000 0.432 320 A N 0.124 123.202 122.820 0.430 0.000 1.933 320 A HA -0.138 4.178 4.320 -0.006 0.000 0.218 320 A C 2.525 180.179 177.584 0.116 0.000 1.175 320 A CA 1.612 53.766 52.037 0.196 0.000 0.628 320 A CB -0.673 18.280 19.000 -0.078 0.000 0.814 320 A HN 0.396 nan 8.150 nan 0.000 0.444 321 A N -0.729 122.166 122.820 0.124 0.000 2.070 321 A HA 0.073 4.389 4.320 -0.006 0.000 0.220 321 A C 1.815 179.441 177.584 0.071 0.000 1.159 321 A CA 1.291 53.380 52.037 0.086 0.000 0.656 321 A CB -0.392 18.672 19.000 0.106 0.000 0.800 321 A HN 0.467 nan 8.150 nan 0.000 0.453 322 L N -0.875 120.416 121.223 0.114 0.000 2.667 322 L HA 0.278 4.614 4.340 -0.006 0.000 0.232 322 L C 1.269 178.076 176.870 -0.106 0.000 1.138 322 L CA -0.221 54.656 54.840 0.063 0.000 0.921 322 L CB -0.246 41.899 42.059 0.144 0.000 1.180 322 L HN 0.378 nan 8.230 nan 0.000 0.487 323 A N 0.474 123.218 122.820 -0.126 0.000 2.409 323 A HA 0.266 4.582 4.320 -0.006 0.000 0.246 323 A C 0.884 178.288 177.584 -0.301 0.000 1.099 323 A CA 0.074 51.842 52.037 -0.448 0.000 0.789 323 A CB 0.182 19.126 19.000 -0.093 0.000 1.053 323 A HN 0.363 nan 8.150 nan 0.000 0.503 324 S N 0.633 116.152 115.700 -0.301 0.000 2.563 324 S HA 0.279 4.745 4.470 -0.006 0.000 0.284 324 S C -2.562 171.981 174.600 -0.095 0.000 1.331 324 S CA -0.738 57.364 58.200 -0.163 0.000 1.047 324 S CB -0.299 62.831 63.200 -0.118 0.000 0.859 324 S HN 0.462 nan 8.310 nan 0.000 0.514 325 P HA 0.255 nan 4.420 nan 0.000 0.264 325 P C 1.144 178.423 177.300 -0.035 0.000 1.193 325 P CA 1.264 64.338 63.100 -0.043 0.000 0.763 325 P CB 0.145 31.827 31.700 -0.031 0.000 0.810 326 G N 1.823 110.605 108.800 -0.030 0.000 2.225 326 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.254 326 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.254 326 G C 0.422 175.304 174.900 -0.029 0.000 0.988 326 G CA 0.026 45.112 45.100 -0.024 0.000 0.625 326 G HN 0.580 nan 8.290 nan 0.000 0.527 327 S N -0.188 115.489 115.700 -0.038 0.000 2.560 327 S HA 0.443 4.910 4.470 -0.006 0.000 0.284 327 S C 0.456 175.020 174.600 -0.059 0.000 1.327 327 S CA 0.203 58.378 58.200 -0.042 0.000 1.055 327 S CB 1.911 65.082 63.200 -0.047 0.000 0.868 327 S HN 0.825 nan 8.310 nan 0.000 0.506 328 V N 3.059 122.934 119.914 -0.065 0.000 2.459 328 V HA 0.505 4.622 4.120 -0.006 0.000 0.295 328 V C -0.072 175.933 176.094 -0.148 0.000 1.029 328 V CA -0.556 61.693 62.300 -0.086 0.000 0.874 328 V CB 1.789 33.580 31.823 -0.053 0.000 0.985 328 V HN 0.857 nan 8.190 nan 0.000 0.438 329 S N 4.483 120.050 115.700 -0.222 0.000 2.513 329 S HA 0.697 5.164 4.470 -0.006 0.000 0.299 329 S C -0.568 173.906 174.600 -0.210 0.000 1.087 329 S CA -0.913 57.061 58.200 -0.376 0.000 1.012 329 S CB 1.704 64.397 63.200 -0.846 0.000 1.044 329 S HN 0.706 nan 8.310 nan 0.000 0.485 330 R N 1.577 121.997 120.500 -0.134 0.000 2.409 330 R HA 0.488 4.825 4.340 -0.006 0.000 0.313 330 R C -1.635 174.673 176.300 0.013 0.000 0.953 330 R CA -0.786 55.288 56.100 -0.044 0.000 0.849 330 R CB 0.886 31.180 30.300 -0.012 0.000 1.171 330 R HN 0.286 nan 8.270 nan 0.000 0.458 331 L N 2.553 123.788 121.223 0.021 0.000 2.264 331 L HA 0.411 4.747 4.340 -0.006 0.000 0.289 331 L C 0.279 177.175 176.870 0.043 0.000 1.044 331 L CA 0.149 55.026 54.840 0.061 0.000 0.807 331 L CB 1.389 43.486 42.059 0.064 0.000 1.192 331 L HN 0.745 nan 8.230 nan 0.000 0.425 332 S N 0.264 115.999 115.700 0.058 0.000 2.709 332 S HA 0.856 5.323 4.470 -0.006 0.000 0.302 332 S C 0.629 175.264 174.600 0.058 0.000 1.127 332 S CA -0.239 57.990 58.200 0.047 0.000 0.905 332 S CB 1.723 64.952 63.200 0.048 0.000 1.151 332 S HN 1.153 nan 8.310 nan 0.000 0.510 333 G N 0.262 109.095 108.800 0.056 0.000 2.143 333 G HA2 -0.211 3.745 3.960 -0.006 0.000 0.248 333 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.248 333 G C 0.224 175.185 174.900 0.102 0.000 0.991 333 G CA 0.396 45.541 45.100 0.074 0.000 0.689 333 G HN 1.681 nan 8.290 nan 0.000 0.522 334 I N -3.540 117.065 120.570 0.058 0.000 3.424 334 I HA 0.735 4.901 4.170 -0.006 0.000 0.339 334 I C 1.645 177.723 176.117 -0.065 0.000 1.549 334 I CA 0.056 61.361 61.300 0.009 0.000 1.049 334 I CB 0.233 38.183 38.000 -0.085 0.000 1.439 334 I HN 0.057 nan 8.210 nan 0.000 0.500 335 A N 2.262 125.094 122.820 0.020 0.000 1.948 335 A HA -0.261 4.056 4.320 -0.006 0.000 0.220 335 A C 2.299 179.858 177.584 -0.042 0.000 1.177 335 A CA 2.236 54.267 52.037 -0.010 0.000 0.636 335 A CB -1.098 17.919 19.000 0.030 0.000 0.815 335 A HN 0.831 nan 8.150 nan 0.000 0.449 336 H N -1.280 117.722 119.070 -0.114 0.000 2.545 336 H HA 0.021 4.573 4.556 -0.006 0.000 0.282 336 H C 1.384 176.537 175.328 -0.292 0.000 1.020 336 H CA 1.190 57.150 56.048 -0.147 0.000 1.243 336 H CB -0.517 29.173 29.762 -0.120 0.000 1.377 336 H HN 0.324 nan 8.280 nan 0.000 0.581 337 L N 1.231 121.992 121.223 -0.769 0.000 2.465 337 L HA -0.001 4.335 4.340 -0.006 0.000 0.224 337 L C 2.518 179.148 176.870 -0.399 0.000 1.145 337 L CA 0.805 55.126 54.840 -0.866 0.000 0.834 337 L CB -0.433 41.239 42.059 -0.644 0.000 0.944 337 L HN 0.169 nan 8.230 nan 0.000 0.451 338 R N -0.951 119.405 120.500 -0.240 0.000 2.241 338 R HA -0.052 4.285 4.340 -0.006 0.000 0.224 338 R C 1.662 177.916 176.300 -0.076 0.000 1.101 338 R CA 1.018 57.041 56.100 -0.127 0.000 0.995 338 R CB -0.389 29.865 30.300 -0.077 0.000 0.870 338 R HN 0.423 nan 8.270 nan 0.000 0.463 339 G N -0.821 107.941 108.800 -0.063 0.000 3.393 339 G HA2 0.047 4.003 3.960 -0.006 0.000 0.255 339 G HA3 0.047 4.003 3.960 -0.006 0.000 0.255 339 G C 0.021 174.990 174.900 0.116 0.000 1.097 339 G CA -0.378 44.739 45.100 0.027 0.000 0.780 339 G HN 0.270 nan 8.290 nan 0.000 0.540 340 H N -0.249 118.771 119.070 -0.084 0.000 2.211 340 H HA 0.127 4.680 4.556 -0.006 0.000 0.327 340 H C 1.497 176.794 175.328 -0.051 0.000 1.722 340 H CA -0.502 55.497 56.048 -0.081 0.000 1.437 340 H CB 1.017 30.708 29.762 -0.117 0.000 1.716 340 H HN 0.046 nan 8.280 nan 0.000 0.618 341 E N -0.128 120.098 120.200 0.044 0.000 2.136 341 E HA -0.179 4.167 4.350 -0.006 0.000 0.208 341 E C 0.495 177.117 176.600 0.037 0.000 1.035 341 E CA 1.784 58.196 56.400 0.021 0.000 0.838 341 E CB -0.013 29.715 29.700 0.047 0.000 0.748 341 E HN 0.290 nan 8.360 nan 0.000 0.459 342 T N -1.307 113.265 114.554 0.031 0.000 2.887 342 T HA 0.128 4.474 4.350 -0.006 0.000 0.292 342 T C -1.603 173.069 174.700 -0.046 0.000 1.087 342 T CA -0.931 61.167 62.100 -0.003 0.000 1.009 342 T CB 1.323 70.177 68.868 -0.025 0.000 1.203 342 T HN -0.088 nan 8.240 nan 0.000 0.518 343 D N 1.529 121.880 120.400 -0.082 0.000 2.359 343 D HA 0.082 4.718 4.640 -0.006 0.000 0.273 343 D C 1.236 177.425 176.300 -0.186 0.000 1.362 343 D CA 0.300 54.231 54.000 -0.116 0.000 1.010 343 D CB 0.404 41.144 40.800 -0.101 0.000 1.090 343 D HN 0.417 nan 8.370 nan 0.000 0.521 344 R N 2.685 123.087 120.500 -0.164 0.000 2.148 344 R HA -0.017 4.319 4.340 -0.006 0.000 0.223 344 R C 1.957 178.151 176.300 -0.178 0.000 1.088 344 R CA 0.674 56.667 56.100 -0.178 0.000 0.985 344 R CB 0.175 30.405 30.300 -0.118 0.000 0.880 344 R HN 0.490 nan 8.270 nan 0.000 0.451 345 L N -0.312 120.813 121.223 -0.162 0.000 2.072 345 L HA -0.057 4.279 4.340 -0.006 0.000 0.205 345 L C 2.634 179.423 176.870 -0.135 0.000 1.079 345 L CA 1.129 55.891 54.840 -0.129 0.000 0.752 345 L CB -0.627 41.366 42.059 -0.110 0.000 0.906 345 L HN 0.189 nan 8.230 nan 0.000 0.436 346 A N 0.383 123.112 122.820 -0.152 0.000 1.898 346 A HA -0.115 4.202 4.320 -0.006 0.000 0.216 346 A C 2.565 180.013 177.584 -0.227 0.000 1.181 346 A CA 1.677 53.623 52.037 -0.151 0.000 0.620 346 A CB -0.665 18.258 19.000 -0.128 0.000 0.819 346 A HN 0.376 nan 8.150 nan 0.000 0.442 347 A N -0.311 122.281 122.820 -0.381 0.000 1.902 347 A HA -0.043 4.274 4.320 -0.006 0.000 0.217 347 A C 2.184 179.513 177.584 -0.425 0.000 1.181 347 A CA 1.514 53.152 52.037 -0.666 0.000 0.623 347 A CB -0.610 17.670 19.000 -1.200 0.000 0.818 347 A HN 0.462 nan 8.150 nan 0.000 0.443 348 L N -0.823 120.238 121.223 -0.270 0.000 2.056 348 L HA -0.153 4.183 4.340 -0.006 0.000 0.207 348 L C 2.942 179.740 176.870 -0.119 0.000 1.078 348 L CA 1.449 56.206 54.840 -0.139 0.000 0.749 348 L CB -0.386 41.661 42.059 -0.021 0.000 0.901 348 L HN 0.504 nan 8.230 nan 0.000 0.433 349 S N -0.849 114.783 115.700 -0.112 0.000 2.359 349 S HA -0.214 4.252 4.470 -0.006 0.000 0.224 349 S C 2.017 176.562 174.600 -0.091 0.000 1.035 349 S CA 2.144 60.298 58.200 -0.076 0.000 1.018 349 S CB -0.214 62.944 63.200 -0.069 0.000 0.876 349 S HN 0.426 nan 8.310 nan 0.000 0.448 350 T N 2.068 116.547 114.554 -0.124 0.000 2.684 350 T HA -0.061 4.285 4.350 -0.006 0.000 0.267 350 T C 1.770 176.382 174.700 -0.147 0.000 1.036 350 T CA 1.482 63.522 62.100 -0.100 0.000 1.148 350 T CB -0.356 68.477 68.868 -0.058 0.000 0.863 350 T HN 0.407 nan 8.240 nan 0.000 0.436 351 E N 0.619 120.638 120.200 -0.301 0.000 2.158 351 E HA 0.103 4.449 4.350 -0.006 0.000 0.191 351 E C 2.245 178.662 176.600 -0.305 0.000 0.982 351 E CA 0.470 56.551 56.400 -0.532 0.000 0.823 351 E CB -0.284 28.588 29.700 -1.379 0.000 0.766 351 E HN 0.517 nan 8.360 nan 0.000 0.468 352 I N 1.617 122.114 120.570 -0.123 0.000 2.286 352 I HA -0.223 3.944 4.170 -0.006 0.000 0.245 352 I C 1.753 177.918 176.117 0.080 0.000 1.104 352 I CA 0.725 62.113 61.300 0.146 0.000 1.397 352 I CB -0.208 37.894 38.000 0.169 0.000 1.072 352 I HN 0.007 nan 8.210 nan 0.000 0.417 353 N N 1.003 119.711 118.700 0.015 0.000 2.244 353 N HA -0.112 4.624 4.740 -0.006 0.000 0.183 353 N C 1.873 177.393 175.510 0.016 0.000 1.016 353 N CA 0.969 54.027 53.050 0.014 0.000 0.866 353 N CB -0.270 38.214 38.487 -0.006 0.000 0.980 353 N HN 0.301 nan 8.380 nan 0.000 0.430 354 R N 0.487 120.988 120.500 0.001 0.000 2.096 354 R HA 0.054 4.390 4.340 -0.006 0.000 0.235 354 R C 1.552 177.882 176.300 0.050 0.000 1.127 354 R CA 0.732 56.839 56.100 0.011 0.000 0.968 354 R CB -0.218 30.073 30.300 -0.015 0.000 0.861 354 R HN 0.208 nan 8.270 nan 0.000 0.440 355 L N -0.220 121.058 121.223 0.093 0.000 2.650 355 L HA 0.143 4.479 4.340 -0.006 0.000 0.235 355 L C 0.992 177.910 176.870 0.081 0.000 1.149 355 L CA 0.455 55.364 54.840 0.116 0.000 0.887 355 L CB -0.063 42.110 42.059 0.191 0.000 1.021 355 L HN 0.508 nan 8.230 nan 0.000 0.441 356 G N -0.305 108.530 108.800 0.058 0.000 2.157 356 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.248 356 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.248 356 G C 0.524 175.449 174.900 0.041 0.000 0.979 356 G CA -0.125 45.000 45.100 0.041 0.000 0.650 356 G HN 0.523 nan 8.290 nan 0.000 0.529 357 G N -1.275 107.558 108.800 0.056 0.000 2.510 357 G HA2 0.599 4.555 3.960 -0.006 0.000 0.280 357 G HA3 0.599 4.555 3.960 -0.006 0.000 0.280 357 G C -0.220 174.699 174.900 0.032 0.000 1.386 357 G CA 0.495 45.625 45.100 0.051 0.000 1.047 357 G HN 0.733 nan 8.290 nan 0.000 0.527 358 T N -0.564 114.005 114.554 0.025 0.000 3.038 358 T HA 0.360 4.707 4.350 -0.006 0.000 0.344 358 T C -1.227 173.477 174.700 0.007 0.000 1.054 358 T CA -0.283 61.824 62.100 0.010 0.000 1.092 358 T CB 0.486 69.355 68.868 0.002 0.000 1.031 358 T HN 0.622 nan 8.240 nan 0.000 0.482 359 C N 4.582 123.885 119.300 0.006 0.000 2.364 359 C HA 0.802 5.259 4.460 -0.006 0.000 0.324 359 C C -0.285 174.698 174.990 -0.011 0.000 1.234 359 C CA -0.808 58.210 59.018 0.001 0.000 1.417 359 C CB 0.114 27.862 27.740 0.013 0.000 2.101 359 C HN 0.924 nan 8.230 nan 0.000 0.466 360 R N 4.116 124.607 120.500 -0.016 0.000 2.310 360 R HA 0.416 4.752 4.340 -0.006 0.000 0.324 360 R C -0.158 176.129 176.300 -0.023 0.000 0.955 360 R CA -0.043 56.046 56.100 -0.019 0.000 0.830 360 R CB 0.684 30.974 30.300 -0.016 0.000 1.154 360 R HN 0.885 nan 8.270 nan 0.000 0.458 361 E N 2.608 122.791 120.200 -0.028 0.000 2.384 361 E HA 0.081 4.427 4.350 -0.006 0.000 0.266 361 E C -0.663 175.922 176.600 -0.025 0.000 1.012 361 E CA 0.124 56.504 56.400 -0.032 0.000 0.901 361 E CB 0.641 30.316 29.700 -0.041 0.000 0.967 361 E HN 0.756 nan 8.360 nan 0.000 0.435 362 T N 0.801 115.341 114.554 -0.023 0.000 2.940 362 T HA 0.407 4.753 4.350 -0.006 0.000 0.288 362 T C -2.063 172.628 174.700 -0.015 0.000 1.045 362 T CA -1.704 60.386 62.100 -0.015 0.000 1.018 362 T CB 1.435 70.298 68.868 -0.010 0.000 1.151 362 T HN 0.238 nan 8.240 nan 0.000 0.529 363 P HA 0.069 nan 4.420 nan 0.000 0.225 363 P C 0.406 177.704 177.300 -0.004 0.000 1.148 363 P CA 0.891 63.987 63.100 -0.006 0.000 0.779 363 P CB 0.020 31.721 31.700 0.001 0.000 0.780 364 D N -2.272 118.127 120.400 -0.002 0.000 2.673 364 D HA 0.318 4.955 4.640 -0.006 0.000 0.278 364 D C 0.703 177.000 176.300 -0.005 0.000 1.393 364 D CA -0.437 53.565 54.000 0.003 0.000 0.805 364 D CB 0.254 41.067 40.800 0.021 0.000 1.110 364 D HN 0.139 nan 8.370 nan 0.000 0.476 365 G N -0.133 108.656 108.800 -0.019 0.000 2.564 365 G HA2 0.324 4.280 3.960 -0.006 0.000 0.139 365 G HA3 0.324 4.280 3.960 -0.006 0.000 0.139 365 G C -1.986 172.900 174.900 -0.023 0.000 1.147 365 G CA -0.679 44.408 45.100 -0.022 0.000 1.031 365 G HN 0.159 nan 8.290 nan 0.000 0.482 366 L N -0.069 121.145 121.223 -0.014 0.000 2.472 366 L HA 0.701 5.037 4.340 -0.006 0.000 0.260 366 L C -0.821 176.037 176.870 -0.020 0.000 0.963 366 L CA -1.098 53.732 54.840 -0.017 0.000 0.829 366 L CB 2.489 44.541 42.059 -0.013 0.000 1.348 366 L HN 0.419 nan 8.230 nan 0.000 0.408 367 V N 3.475 123.374 119.914 -0.025 0.000 2.448 367 V HA 0.530 4.646 4.120 -0.006 0.000 0.295 367 V C -0.286 175.785 176.094 -0.038 0.000 1.025 367 V CA -0.285 61.994 62.300 -0.036 0.000 0.859 367 V CB 1.976 33.782 31.823 -0.029 0.000 0.988 367 V HN 0.486 nan 8.190 nan 0.000 0.431 368 I N 3.586 124.120 120.570 -0.061 0.000 2.447 368 I HA 0.409 4.575 4.170 -0.006 0.000 0.287 368 I C -0.084 175.995 176.117 -0.063 0.000 1.023 368 I CA -0.165 61.106 61.300 -0.049 0.000 1.083 368 I CB 2.297 40.272 38.000 -0.043 0.000 1.245 368 I HN 0.513 nan 8.210 nan 0.000 0.434 369 T N 5.383 119.915 114.554 -0.037 0.000 2.749 369 T HA 0.489 4.835 4.350 -0.006 0.000 0.287 369 T C 0.227 174.913 174.700 -0.024 0.000 0.970 369 T CA -0.500 61.578 62.100 -0.036 0.000 0.980 369 T CB 1.354 70.207 68.868 -0.025 0.000 0.924 369 T HN 0.637 nan 8.240 nan 0.000 0.456 370 A N 3.394 126.194 122.820 -0.033 0.000 2.491 370 A HA 0.532 4.848 4.320 -0.006 0.000 0.261 370 A C 0.673 178.247 177.584 -0.017 0.000 1.101 370 A CA -0.097 51.926 52.037 -0.024 0.000 0.772 370 A CB -0.012 18.962 19.000 -0.044 0.000 1.043 370 A HN 0.745 nan 8.150 nan 0.000 0.501 371 T N 2.878 117.430 114.554 -0.002 0.000 2.896 371 T HA 0.651 4.998 4.350 -0.006 0.000 0.297 371 T C -2.993 171.712 174.700 0.007 0.000 1.108 371 T CA -1.557 60.543 62.100 -0.000 0.000 1.004 371 T CB 1.180 70.051 68.868 0.004 0.000 1.159 371 T HN 0.371 nan 8.240 nan 0.000 0.499 372 P HA 0.303 nan 4.420 nan 0.000 0.265 372 P C -0.782 176.532 177.300 0.022 0.000 1.193 372 P CA -0.091 63.016 63.100 0.010 0.000 0.765 372 P CB 0.315 32.019 31.700 0.006 0.000 0.823 373 L N 3.295 124.535 121.223 0.030 0.000 2.331 373 L HA 0.702 5.038 4.340 -0.006 0.000 0.268 373 L C 0.697 177.592 176.870 0.042 0.000 1.015 373 L CA -0.920 53.948 54.840 0.046 0.000 0.807 373 L CB 1.553 43.648 42.059 0.061 0.000 1.293 373 L HN 0.440 nan 8.230 nan 0.000 0.451 374 R N -0.300 120.231 120.500 0.053 0.000 2.869 374 R HA 0.686 5.022 4.340 -0.006 0.000 0.263 374 R C -2.943 173.391 176.300 0.056 0.000 1.066 374 R CA -2.013 54.113 56.100 0.044 0.000 0.960 374 R CB -0.552 29.769 30.300 0.036 0.000 1.221 374 R HN 0.105 nan 8.270 nan 0.000 0.474 375 P HA 0.380 nan 4.420 nan 0.000 0.269 375 P C -0.439 176.901 177.300 0.066 0.000 1.217 375 P CA 0.133 63.264 63.100 0.051 0.000 0.783 375 P CB 0.721 32.441 31.700 0.033 0.000 0.898 376 G N 0.480 109.330 108.800 0.084 0.000 2.428 376 G HA2 0.444 4.400 3.960 -0.006 0.000 0.304 376 G HA3 0.444 4.400 3.960 -0.006 0.000 0.304 376 G C -1.961 173.009 174.900 0.117 0.000 1.303 376 G CA -0.571 44.585 45.100 0.092 0.000 0.825 376 G HN 0.332 nan 8.290 nan 0.000 0.484 377 I N 1.137 121.772 120.570 0.109 0.000 2.328 377 I HA 0.281 4.447 4.170 -0.006 0.000 0.287 377 I C -0.706 175.508 176.117 0.162 0.000 1.012 377 I CA -0.830 60.543 61.300 0.122 0.000 1.195 377 I CB 1.227 39.263 38.000 0.061 0.000 1.350 377 I HN 0.560 nan 8.210 nan 0.000 0.464 378 W N 8.208 129.535 121.300 0.045 0.000 2.342 378 W HA 0.360 5.016 4.660 -0.006 0.000 0.310 378 W C -0.567 175.980 176.519 0.046 0.000 1.128 378 W CA -0.623 56.755 57.345 0.055 0.000 1.322 378 W CB 0.868 30.367 29.460 0.065 0.000 1.251 378 W HN 0.522 nan 8.180 nan 0.000 0.439 379 R N 4.103 124.490 120.500 -0.188 0.000 2.346 379 R HA 0.432 4.768 4.340 -0.006 0.000 0.311 379 R C 0.891 177.124 176.300 -0.112 0.000 0.983 379 R CA -0.109 55.892 56.100 -0.166 0.000 0.880 379 R CB 1.673 31.764 30.300 -0.348 0.000 1.100 379 R HN 0.547 nan 8.270 nan 0.000 0.453 380 A N 2.574 125.373 122.820 -0.036 0.000 2.072 380 A HA -0.026 4.291 4.320 -0.006 0.000 0.216 380 A C 0.021 177.740 177.584 0.224 0.000 1.156 380 A CA 0.339 52.451 52.037 0.125 0.000 0.701 380 A CB -0.347 18.690 19.000 0.062 0.000 0.816 380 A HN 0.909 nan 8.150 nan 0.000 0.458 381 Y N -2.601 117.674 120.300 -0.041 0.000 3.721 381 Y HA -0.234 4.313 4.550 -0.006 0.000 0.218 381 Y C 1.185 177.073 175.900 -0.021 0.000 1.188 381 Y CA 0.675 58.752 58.100 -0.039 0.000 1.607 381 Y CB -2.444 35.986 38.460 -0.051 0.000 1.496 381 Y HN 1.270 nan 8.280 nan 0.000 0.626 382 A N -0.751 122.110 122.820 0.069 0.000 2.832 382 A HA -0.237 4.079 4.320 -0.006 0.000 0.280 382 A C 0.213 177.836 177.584 0.065 0.000 1.464 382 A CA 1.322 53.384 52.037 0.041 0.000 0.804 382 A CB -1.102 17.911 19.000 0.021 0.000 1.020 382 A HN 0.630 nan 8.150 nan 0.000 0.563 383 D N -1.125 119.338 120.400 0.104 0.000 2.462 383 D HA 0.455 5.091 4.640 -0.006 0.000 0.245 383 D C 1.195 177.572 176.300 0.130 0.000 1.122 383 D CA 0.017 54.102 54.000 0.142 0.000 0.864 383 D CB 0.245 41.114 40.800 0.116 0.000 1.098 383 D HN 0.639 nan 8.370 nan 0.000 0.541 384 H N 2.745 121.758 119.070 -0.094 0.000 2.400 384 H HA -0.154 4.399 4.556 -0.006 0.000 0.295 384 H C 1.111 176.316 175.328 -0.206 0.000 1.118 384 H CA 1.225 57.173 56.048 -0.167 0.000 1.256 384 H CB 0.186 29.856 29.762 -0.154 0.000 1.365 384 H HN 0.228 nan 8.280 nan 0.000 0.502 385 R N -0.166 120.050 120.500 -0.474 0.000 2.210 385 R HA 0.065 4.401 4.340 -0.006 0.000 0.203 385 R C 2.120 178.318 176.300 -0.169 0.000 1.010 385 R CA 0.681 56.540 56.100 -0.401 0.000 1.008 385 R CB 0.103 30.132 30.300 -0.452 0.000 0.923 385 R HN 0.362 nan 8.270 nan 0.000 0.469 386 M N 0.615 120.193 119.600 -0.037 0.000 2.117 386 M HA -0.055 4.421 4.480 -0.006 0.000 0.262 386 M C 2.446 178.872 176.300 0.209 0.000 1.065 386 M CA 1.489 56.894 55.300 0.175 0.000 1.114 386 M CB -0.879 31.850 32.600 0.214 0.000 1.361 386 M HN 0.147 nan 8.290 nan 0.000 0.408 387 A N 0.280 123.105 122.820 0.008 0.000 1.883 387 A HA -0.169 4.147 4.320 -0.006 0.000 0.217 387 A C 2.203 179.549 177.584 -0.397 0.000 1.186 387 A CA 1.739 53.702 52.037 -0.124 0.000 0.624 387 A CB -0.621 18.236 19.000 -0.238 0.000 0.822 387 A HN 0.515 nan 8.150 nan 0.000 0.444 388 M N -0.635 118.616 119.600 -0.582 0.000 2.319 388 M HA -0.051 4.425 4.480 -0.006 0.000 0.265 388 M C 2.395 178.385 176.300 -0.517 0.000 1.068 388 M CA 1.025 55.848 55.300 -0.795 0.000 1.118 388 M CB -0.347 31.761 32.600 -0.820 0.000 1.395 388 M HN 0.477 nan 8.290 nan 0.000 0.435 389 A N 0.772 123.385 122.820 -0.344 0.000 1.969 389 A HA -0.010 4.306 4.320 -0.006 0.000 0.218 389 A C 2.354 179.508 177.584 -0.716 0.000 1.169 389 A CA 1.780 53.615 52.037 -0.337 0.000 0.635 389 A CB -1.363 17.587 19.000 -0.082 0.000 0.810 389 A HN 0.524 nan 8.150 nan 0.000 0.445 390 G N -0.333 107.875 108.800 -0.986 0.000 2.418 390 G HA2 -0.010 3.946 3.960 -0.006 0.000 0.217 390 G HA3 -0.010 3.946 3.960 -0.006 0.000 0.217 390 G C 1.761 176.344 174.900 -0.528 0.000 1.158 390 G CA 1.421 45.717 45.100 -1.339 0.000 0.771 390 G HN 0.781 nan 8.290 nan 0.000 0.545 391 A N 0.843 123.456 122.820 -0.344 0.000 1.908 391 A HA -0.039 4.277 4.320 -0.006 0.000 0.218 391 A C 2.409 179.950 177.584 -0.071 0.000 1.181 391 A CA 1.503 53.427 52.037 -0.188 0.000 0.627 391 A CB -0.395 18.181 19.000 -0.706 0.000 0.818 391 A HN 0.401 nan 8.150 nan 0.000 0.445 392 I N -0.098 120.372 120.570 -0.167 0.000 2.226 392 I HA -0.231 3.935 4.170 -0.006 0.000 0.245 392 I C 2.158 178.283 176.117 0.013 0.000 1.100 392 I CA 0.838 62.176 61.300 0.064 0.000 1.374 392 I CB -0.311 37.698 38.000 0.016 0.000 1.057 392 I HN 0.241 nan 8.210 nan 0.000 0.413 393 I N 1.079 121.543 120.570 -0.176 0.000 2.208 393 I HA -0.213 3.953 4.170 -0.006 0.000 0.245 393 I C 2.688 178.780 176.117 -0.041 0.000 1.097 393 I CA 1.855 63.072 61.300 -0.137 0.000 1.363 393 I CB -2.057 35.752 38.000 -0.317 0.000 1.051 393 I HN 0.264 nan 8.210 nan 0.000 0.413 394 G N 0.741 109.515 108.800 -0.042 0.000 2.501 394 G HA2 -0.177 3.780 3.960 -0.006 0.000 0.220 394 G HA3 -0.177 3.780 3.960 -0.006 0.000 0.220 394 G C 1.832 176.772 174.900 0.067 0.000 1.114 394 G CA 0.200 45.310 45.100 0.016 0.000 0.757 394 G HN 0.343 nan 8.290 nan 0.000 0.559 395 L N -0.544 120.754 121.223 0.126 0.000 2.127 395 L HA -0.005 4.331 4.340 -0.006 0.000 0.211 395 L C 2.606 179.517 176.870 0.068 0.000 1.089 395 L CA 0.917 55.833 54.840 0.127 0.000 0.757 395 L CB -0.083 42.074 42.059 0.164 0.000 0.899 395 L HN 0.103 nan 8.230 nan 0.000 0.434 396 R N -1.112 119.422 120.500 0.057 0.000 2.476 396 R HA 0.298 4.635 4.340 -0.006 0.000 0.276 396 R C -0.594 175.722 176.300 0.027 0.000 0.941 396 R CA 0.184 56.308 56.100 0.040 0.000 1.088 396 R CB 1.175 31.504 30.300 0.047 0.000 1.216 396 R HN 0.037 nan 8.270 nan 0.000 0.533 397 V N 1.414 121.343 119.914 0.026 0.000 2.419 397 V HA 0.435 4.551 4.120 -0.006 0.000 0.287 397 V C 0.151 176.255 176.094 0.017 0.000 1.017 397 V CA -1.414 60.899 62.300 0.023 0.000 0.844 397 V CB 1.435 33.276 31.823 0.031 0.000 1.011 397 V HN 0.180 nan 8.190 nan 0.000 0.429 398 A N 3.247 126.073 122.820 0.011 0.000 2.520 398 A HA 0.539 4.855 4.320 -0.006 0.000 0.235 398 A C 1.502 179.089 177.584 0.006 0.000 1.065 398 A CA 0.894 52.932 52.037 0.002 0.000 0.764 398 A CB -0.120 18.880 19.000 -0.001 0.000 1.002 398 A HN 2.346 nan 8.150 nan 0.000 0.502 399 G N 0.193 108.991 108.800 -0.004 0.000 2.141 399 G HA2 -0.113 3.843 3.960 -0.006 0.000 0.242 399 G HA3 -0.113 3.843 3.960 -0.006 0.000 0.242 399 G C 0.048 174.961 174.900 0.022 0.000 0.982 399 G CA 0.071 45.174 45.100 0.005 0.000 0.662 399 G HN 1.413 nan 8.290 nan 0.000 0.527 400 V N 0.920 120.847 119.914 0.022 0.000 2.407 400 V HA 0.563 4.679 4.120 -0.006 0.000 0.278 400 V C 0.227 176.349 176.094 0.047 0.000 1.037 400 V CA -0.282 62.053 62.300 0.059 0.000 0.900 400 V CB 1.454 33.311 31.823 0.056 0.000 0.983 400 V HN 0.413 nan 8.190 nan 0.000 0.459 401 E N 3.435 123.696 120.200 0.101 0.000 2.248 401 E HA 0.570 4.917 4.350 -0.006 0.000 0.267 401 E C -1.370 175.368 176.600 0.230 0.000 0.877 401 E CA -0.813 55.660 56.400 0.122 0.000 0.759 401 E CB 2.676 32.424 29.700 0.080 0.000 1.182 401 E HN 0.401 nan 8.360 nan 0.000 0.418 402 V N 3.356 123.466 119.914 0.326 0.000 2.465 402 V HA -0.021 4.095 4.120 -0.006 0.000 0.279 402 V C 0.959 177.201 176.094 0.246 0.000 1.045 402 V CA -0.217 62.286 62.300 0.338 0.000 0.938 402 V CB 1.141 33.179 31.823 0.358 0.000 0.986 402 V HN 0.837 nan 8.190 nan 0.000 0.467 403 D N 2.925 123.424 120.400 0.166 0.000 2.117 403 D HA -0.132 4.504 4.640 -0.006 0.000 0.198 403 D C 0.667 177.016 176.300 0.082 0.000 0.982 403 D CA 1.077 55.133 54.000 0.094 0.000 0.828 403 D CB 0.135 40.949 40.800 0.022 0.000 0.967 403 D HN 0.582 nan 8.370 nan 0.000 0.464 404 D N -0.943 119.495 120.400 0.064 0.000 2.552 404 D HA 0.116 4.752 4.640 -0.006 0.000 0.285 404 D C 0.482 176.769 176.300 -0.021 0.000 1.206 404 D CA -0.630 53.383 54.000 0.022 0.000 0.826 404 D CB -0.025 40.773 40.800 -0.004 0.000 1.179 404 D HN -0.045 nan 8.370 nan 0.000 0.508 405 I N 1.927 122.466 120.570 -0.050 0.000 2.567 405 I HA -0.033 4.133 4.170 -0.006 0.000 0.257 405 I C 1.981 177.978 176.117 -0.201 0.000 1.184 405 I CA 1.144 62.296 61.300 -0.247 0.000 1.451 405 I CB -0.041 37.613 38.000 -0.576 0.000 1.089 405 I HN 0.390 nan 8.210 nan 0.000 0.441 406 A N 0.249 123.009 122.820 -0.100 0.000 2.178 406 A HA -0.036 4.280 4.320 -0.006 0.000 0.218 406 A C 2.440 179.985 177.584 -0.065 0.000 1.157 406 A CA 1.260 53.258 52.037 -0.065 0.000 0.689 406 A CB -1.002 17.982 19.000 -0.028 0.000 0.787 406 A HN 0.483 nan 8.150 nan 0.000 0.465 407 A N 0.068 122.845 122.820 -0.071 0.000 2.076 407 A HA -0.103 4.213 4.320 -0.006 0.000 0.220 407 A C 2.269 179.816 177.584 -0.063 0.000 1.160 407 A CA 2.121 54.126 52.037 -0.054 0.000 0.653 407 A CB -1.311 17.673 19.000 -0.027 0.000 0.801 407 A HN 0.789 nan 8.150 nan 0.000 0.455 408 T N -1.927 112.558 114.554 -0.114 0.000 3.025 408 T HA -0.147 4.200 4.350 -0.006 0.000 0.270 408 T C 1.659 176.330 174.700 -0.050 0.000 1.126 408 T CA 1.793 63.822 62.100 -0.118 0.000 1.105 408 T CB -1.282 67.444 68.868 -0.237 0.000 0.884 408 T HN 0.676 nan 8.240 nan 0.000 0.522 409 T N -0.419 114.104 114.554 -0.053 0.000 2.977 409 T HA -0.012 4.335 4.350 -0.006 0.000 0.271 409 T C 1.741 176.391 174.700 -0.084 0.000 1.105 409 T CA 1.024 63.098 62.100 -0.043 0.000 1.116 409 T CB -0.427 68.417 68.868 -0.039 0.000 0.878 409 T HN 0.476 nan 8.240 nan 0.000 0.509 410 K N 1.465 121.770 120.400 -0.158 0.000 2.059 410 K HA -0.168 4.149 4.320 -0.006 0.000 0.212 410 K C 2.027 178.478 176.600 -0.249 0.000 1.050 410 K CA 2.025 58.134 56.287 -0.296 0.000 0.927 410 K CB -0.186 31.928 32.500 -0.645 0.000 0.714 410 K HN 0.670 nan 8.250 nan 0.000 0.447 411 T N -3.244 111.222 114.554 -0.147 0.000 3.130 411 T HA 0.192 4.538 4.350 -0.006 0.000 0.288 411 T C -0.120 174.616 174.700 0.060 0.000 0.936 411 T CA -0.587 61.501 62.100 -0.020 0.000 0.897 411 T CB 0.696 69.614 68.868 0.083 0.000 1.178 411 T HN 0.042 nan 8.240 nan 0.000 0.543 412 L N 1.774 123.039 121.223 0.069 0.000 2.392 412 L HA 0.497 4.834 4.340 -0.006 0.000 0.262 412 L C -2.546 174.399 176.870 0.125 0.000 1.498 412 L CA -1.843 53.077 54.840 0.133 0.000 0.820 412 L CB 1.735 43.926 42.059 0.219 0.000 0.990 412 L HN -0.247 nan 8.230 nan 0.000 0.520 413 P HA -0.122 nan 4.420 nan 0.000 0.218 413 P C 0.550 177.907 177.300 0.095 0.000 1.148 413 P CA 1.291 64.427 63.100 0.061 0.000 0.822 413 P CB 0.370 32.092 31.700 0.036 0.000 0.784 414 E N -2.186 118.087 120.200 0.122 0.000 2.445 414 E HA -0.007 4.339 4.350 -0.006 0.000 0.189 414 E C 1.223 177.938 176.600 0.192 0.000 1.069 414 E CA -0.319 56.158 56.400 0.129 0.000 0.871 414 E CB -0.681 29.081 29.700 0.103 0.000 0.991 414 E HN 0.170 nan 8.360 nan 0.000 0.481 415 F N 2.506 122.510 119.950 0.088 0.000 2.063 415 F HA -0.188 4.335 4.527 -0.006 0.000 0.298 415 F C -1.038 174.839 175.800 0.127 0.000 1.109 415 F CA 1.596 59.672 58.000 0.128 0.000 1.212 415 F CB -0.928 38.039 39.000 -0.054 0.000 0.973 415 F HN 0.077 nan 8.300 nan 0.000 0.480 416 P HA -0.226 nan 4.420 nan 0.000 0.216 416 P C 1.451 178.829 177.300 0.128 0.000 1.153 416 P CA 2.275 65.375 63.100 -0.000 0.000 0.858 416 P CB -0.295 31.430 31.700 0.042 0.000 0.789 417 R N 0.043 120.608 120.500 0.108 0.000 2.066 417 R HA -0.072 4.265 4.340 -0.006 0.000 0.232 417 R C 2.206 178.566 176.300 0.100 0.000 1.131 417 R CA 1.382 57.548 56.100 0.109 0.000 0.955 417 R CB -1.042 29.310 30.300 0.086 0.000 0.851 417 R HN 0.130 nan 8.270 nan 0.000 0.432 418 L N -0.292 120.994 121.223 0.105 0.000 2.083 418 L HA -0.200 4.137 4.340 -0.006 0.000 0.209 418 L C 2.556 179.555 176.870 0.215 0.000 1.083 418 L CA 1.254 56.176 54.840 0.137 0.000 0.752 418 L CB -0.607 41.562 42.059 0.184 0.000 0.899 418 L HN 0.458 nan 8.230 nan 0.000 0.433 419 W N 0.878 122.102 121.300 -0.127 0.000 2.409 419 W HA -0.159 4.498 4.660 -0.005 0.000 0.299 419 W C 2.476 178.987 176.519 -0.013 0.000 1.203 419 W CA 1.496 58.727 57.345 -0.190 0.000 1.298 419 W CB -0.003 29.003 29.460 -0.757 0.000 1.127 419 W HN 0.172 nan 8.180 nan 0.000 0.528 420 A N 0.641 123.594 122.820 0.221 0.000 1.883 420 A HA -0.308 4.009 4.320 -0.006 0.000 0.217 420 A C 1.912 179.509 177.584 0.021 0.000 1.186 420 A CA 2.162 54.277 52.037 0.130 0.000 0.624 420 A CB -1.231 17.866 19.000 0.162 0.000 0.822 420 A HN 0.500 nan 8.150 nan 0.000 0.444 421 E N -0.772 119.445 120.200 0.027 0.000 2.085 421 E HA -0.247 4.099 4.350 -0.006 0.000 0.194 421 E C 2.032 178.602 176.600 -0.050 0.000 0.994 421 E CA 1.504 57.901 56.400 -0.006 0.000 0.801 421 E CB -0.225 29.478 29.700 0.005 0.000 0.743 421 E HN 0.676 nan 8.360 nan 0.000 0.453 422 M N 0.220 119.773 119.600 -0.079 0.000 2.067 422 M HA -0.160 4.316 4.480 -0.006 0.000 0.260 422 M C 2.030 178.213 176.300 -0.195 0.000 1.069 422 M CA 1.589 56.804 55.300 -0.141 0.000 1.117 422 M CB 0.070 32.561 32.600 -0.182 0.000 1.334 422 M HN 0.104 nan 8.290 nan 0.000 0.407 423 V N 0.549 120.297 119.914 -0.276 0.000 2.591 423 V HA 0.128 4.245 4.120 -0.006 0.000 0.249 423 V C 1.275 177.300 176.094 -0.116 0.000 1.053 423 V CA 1.027 63.189 62.300 -0.230 0.000 1.068 423 V CB -1.220 30.452 31.823 -0.251 0.000 0.689 423 V HN 0.852 nan 8.190 nan 0.000 0.462 424 G N 0.000 108.750 108.800 -0.084 0.000 5.446 424 G HA2 0.000 3.956 3.960 -0.006 0.000 0.244 424 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 424 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925