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 2qm8_1_B DATA FIRST_RESID 6 DATA SEQUENCE PDXDTLRERL LAGDRAALAR AITLAESRRA DHRAAVRDLI DAVLPQTGRA DATA SEQUENCE IRVGITGVPG VGKSTTIDAL GSLLTAAGHK VAVLAVDPSS TRTGGSILGD DATA SEQUENCE KTRXARLAID RNAFIRPSPS SGTLGGVAAK TRETXLLCEA AGFDVILVET DATA SEQUENCE VGVGQSETAV ADLTDFFLVL XLPGAGDELQ GIKKGIFELA DXIAVNKAXX DATA SEQUENCE XXXXRRASAA ASEYRAALHI LTPPSATWTP PVVTISGLHG KGLDSLWSRI DATA SEQUENCE EDHRSKLTAT GEIAGKRREQ DVKWXWALVH ERLHQRLVGS AEVRQATAEA DATA SEQUENCE ERAVAGGEHS PAAGADAIAT LIGL 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.286 177.300 -0.023 0.000 1.155 6 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 6 P CB 0.000 31.681 31.700 -0.031 0.000 0.726 10 T N 2.151 116.699 114.554 -0.010 0.000 2.777 10 T HA -0.084 4.170 4.350 -0.159 0.000 0.266 10 T C 1.993 176.687 174.700 -0.010 0.000 1.040 10 T CA 0.899 62.993 62.100 -0.010 0.000 1.141 10 T CB -0.094 68.769 68.868 -0.009 0.000 0.868 10 T HN -0.027 nan 8.240 nan 0.000 0.444 11 L N 1.533 122.749 121.223 -0.011 0.000 2.012 11 L HA -0.049 4.195 4.340 -0.159 0.000 0.210 11 L C 2.543 179.407 176.870 -0.011 0.000 1.073 11 L CA 1.817 56.650 54.840 -0.011 0.000 0.748 11 L CB -0.557 41.494 42.059 -0.014 0.000 0.891 11 L HN 0.096 nan 8.230 nan 0.000 0.431 12 R N -0.505 119.988 120.500 -0.012 0.000 2.073 12 R HA -0.202 4.043 4.340 -0.159 0.000 0.234 12 R C 2.193 178.485 176.300 -0.013 0.000 1.134 12 R CA 2.019 58.112 56.100 -0.012 0.000 0.952 12 R CB -0.298 29.995 30.300 -0.012 0.000 0.850 12 R HN 0.513 nan 8.270 nan 0.000 0.433 13 E N -0.280 119.913 120.200 -0.012 0.000 2.110 13 E HA -0.192 4.063 4.350 -0.159 0.000 0.193 13 E C 2.267 178.858 176.600 -0.014 0.000 0.988 13 E CA 1.320 57.712 56.400 -0.013 0.000 0.804 13 E CB 0.029 29.722 29.700 -0.011 0.000 0.745 13 E HN 0.354 nan 8.360 nan 0.000 0.458 14 R N 0.460 120.952 120.500 -0.013 0.000 2.066 14 R HA -0.101 4.143 4.340 -0.159 0.000 0.232 14 R C 2.611 178.901 176.300 -0.016 0.000 1.131 14 R CA 0.933 57.026 56.100 -0.012 0.000 0.955 14 R CB -0.491 29.805 30.300 -0.008 0.000 0.851 14 R HN 0.190 nan 8.270 nan 0.000 0.432 15 L N 1.173 122.387 121.223 -0.015 0.000 2.013 15 L HA -0.210 4.035 4.340 -0.159 0.000 0.212 15 L C 2.085 178.939 176.870 -0.026 0.000 1.073 15 L CA 1.526 56.354 54.840 -0.020 0.000 0.753 15 L CB -0.187 41.861 42.059 -0.018 0.000 0.890 15 L HN 0.204 nan 8.230 nan 0.000 0.432 16 L N -0.357 120.852 121.223 -0.023 0.000 2.201 16 L HA -0.121 4.124 4.340 -0.159 0.000 0.212 16 L C 2.370 179.220 176.870 -0.033 0.000 1.105 16 L CA 0.808 55.633 54.840 -0.025 0.000 0.775 16 L CB -0.569 41.479 42.059 -0.019 0.000 0.913 16 L HN 0.355 nan 8.230 nan 0.000 0.440 17 A N -0.636 122.165 122.820 -0.032 0.000 2.278 17 A HA 0.363 4.587 4.320 -0.159 0.000 0.212 17 A C 1.612 179.167 177.584 -0.049 0.000 1.213 17 A CA 0.625 52.640 52.037 -0.037 0.000 0.840 17 A CB -0.308 18.675 19.000 -0.028 0.000 0.866 17 A HN 0.485 nan 8.150 nan 0.000 0.489 18 G N -0.228 108.538 108.800 -0.057 0.000 2.141 18 G HA2 -0.224 3.640 3.960 -0.159 0.000 0.231 18 G HA3 -0.224 3.640 3.960 -0.159 0.000 0.231 18 G C -0.098 174.769 174.900 -0.055 0.000 0.984 18 G CA 0.154 45.204 45.100 -0.083 0.000 0.660 18 G HN 0.568 nan 8.290 nan 0.000 0.525 19 D N 0.184 120.566 120.400 -0.029 0.000 2.349 19 D HA 0.296 4.840 4.640 -0.159 0.000 0.266 19 D C 1.766 178.074 176.300 0.013 0.000 1.293 19 D CA -0.375 53.622 54.000 -0.005 0.000 0.926 19 D CB 0.567 41.366 40.800 -0.002 0.000 1.090 19 D HN 0.099 nan 8.370 nan 0.000 0.502 20 R N 3.237 123.764 120.500 0.044 0.000 2.115 20 R HA 0.012 4.256 4.340 -0.159 0.000 0.230 20 R C 1.859 178.250 176.300 0.153 0.000 1.111 20 R CA 1.233 57.397 56.100 0.106 0.000 0.976 20 R CB -0.794 29.628 30.300 0.204 0.000 0.870 20 R HN 0.522 nan 8.270 nan 0.000 0.445 21 A N 0.250 123.135 122.820 0.108 0.000 1.930 21 A HA 0.016 4.240 4.320 -0.159 0.000 0.217 21 A C 2.253 179.879 177.584 0.069 0.000 1.175 21 A CA 1.537 53.631 52.037 0.096 0.000 0.627 21 A CB -0.636 18.401 19.000 0.061 0.000 0.815 21 A HN 0.300 nan 8.150 nan 0.000 0.443 22 A N -0.245 122.600 122.820 0.042 0.000 1.902 22 A HA -0.025 4.199 4.320 -0.159 0.000 0.217 22 A C 2.117 179.714 177.584 0.021 0.000 1.181 22 A CA 1.691 53.741 52.037 0.021 0.000 0.623 22 A CB -0.650 18.354 19.000 0.006 0.000 0.818 22 A HN 0.728 nan 8.150 nan 0.000 0.443 23 L N -0.037 121.194 121.223 0.014 0.000 2.012 23 L HA -0.120 4.125 4.340 -0.159 0.000 0.210 23 L C 2.621 179.527 176.870 0.060 0.000 1.073 23 L CA 2.446 57.273 54.840 -0.022 0.000 0.748 23 L CB -0.846 41.120 42.059 -0.154 0.000 0.891 23 L HN 0.334 nan 8.230 nan 0.000 0.431 24 A N -0.490 122.436 122.820 0.176 0.000 1.933 24 A HA -0.197 4.027 4.320 -0.159 0.000 0.218 24 A C 2.397 180.044 177.584 0.106 0.000 1.175 24 A CA 1.697 53.875 52.037 0.235 0.000 0.628 24 A CB -0.543 18.603 19.000 0.244 0.000 0.814 24 A HN 0.541 nan 8.150 nan 0.000 0.444 25 R N -0.565 119.973 120.500 0.064 0.000 2.081 25 R HA -0.080 4.165 4.340 -0.159 0.000 0.235 25 R C 2.501 178.807 176.300 0.011 0.000 1.131 25 R CA 1.226 57.340 56.100 0.024 0.000 0.960 25 R CB -0.486 29.819 30.300 0.009 0.000 0.856 25 R HN 0.510 nan 8.270 nan 0.000 0.436 26 A N 1.365 124.193 122.820 0.013 0.000 1.902 26 A HA -0.128 4.096 4.320 -0.159 0.000 0.217 26 A C 2.174 179.763 177.584 0.009 0.000 1.181 26 A CA 1.143 53.181 52.037 0.001 0.000 0.623 26 A CB -0.466 18.531 19.000 -0.005 0.000 0.818 26 A HN 0.167 nan 8.150 nan 0.000 0.443 27 I N -0.364 120.224 120.570 0.030 0.000 2.163 27 I HA -0.248 3.826 4.170 -0.159 0.000 0.243 27 I C 2.591 178.726 176.117 0.030 0.000 1.085 27 I CA 1.791 63.113 61.300 0.036 0.000 1.347 27 I CB -0.702 37.349 38.000 0.084 0.000 1.044 27 I HN 0.259 nan 8.210 nan 0.000 0.408 28 T N 1.459 116.033 114.554 0.033 0.000 2.699 28 T HA -0.182 4.073 4.350 -0.159 0.000 0.268 28 T C 1.914 176.635 174.700 0.036 0.000 1.036 28 T CA 1.405 63.523 62.100 0.030 0.000 1.147 28 T CB -0.361 68.521 68.868 0.024 0.000 0.862 28 T HN 0.249 nan 8.240 nan 0.000 0.446 29 L N 0.635 121.867 121.223 0.015 0.000 2.027 29 L HA -0.059 4.185 4.340 -0.159 0.000 0.206 29 L C 3.099 179.994 176.870 0.041 0.000 1.074 29 L CA 1.278 56.131 54.840 0.022 0.000 0.745 29 L CB -0.736 41.309 42.059 -0.022 0.000 0.898 29 L HN 0.235 nan 8.230 nan 0.000 0.433 30 A N -0.165 122.666 122.820 0.018 0.000 1.940 30 A HA -0.204 4.021 4.320 -0.159 0.000 0.219 30 A C 2.023 179.610 177.584 0.006 0.000 1.176 30 A CA 1.650 53.692 52.037 0.007 0.000 0.631 30 A CB -0.383 18.612 19.000 -0.008 0.000 0.814 30 A HN 0.503 nan 8.150 nan 0.000 0.446 31 E N 0.053 120.259 120.200 0.011 0.000 2.479 31 E HA 0.100 4.355 4.350 -0.159 0.000 0.193 31 E C 0.372 176.983 176.600 0.018 0.000 1.049 31 E CA -0.146 56.256 56.400 0.003 0.000 0.870 31 E CB 0.159 29.858 29.700 -0.003 0.000 0.944 31 E HN 0.415 nan 8.360 nan 0.000 0.492 32 S N 0.713 116.439 115.700 0.044 0.000 2.568 32 S HA 0.030 4.405 4.470 -0.159 0.000 0.282 32 S C 0.940 175.552 174.600 0.020 0.000 1.338 32 S CA -0.111 58.124 58.200 0.059 0.000 1.045 32 S CB 0.614 63.898 63.200 0.140 0.000 0.873 32 S HN 0.188 nan 8.310 nan 0.000 0.516 33 R N 1.887 122.386 120.500 -0.002 0.000 2.310 33 R HA 0.146 4.391 4.340 -0.159 0.000 0.202 33 R C 0.134 176.406 176.300 -0.047 0.000 0.933 33 R CA 0.222 56.312 56.100 -0.016 0.000 1.054 33 R CB 0.167 30.459 30.300 -0.013 0.000 0.985 33 R HN 0.473 nan 8.270 nan 0.000 0.489 34 R N 0.114 120.560 120.500 -0.091 0.000 2.229 34 R HA 0.257 4.501 4.340 -0.159 0.000 0.328 34 R C 0.776 177.027 176.300 -0.082 0.000 1.009 34 R CA -0.207 55.794 56.100 -0.166 0.000 0.864 34 R CB 1.357 31.375 30.300 -0.471 0.000 1.085 34 R HN 0.043 nan 8.270 nan 0.000 0.453 35 A N 3.244 126.034 122.820 -0.050 0.000 1.933 35 A HA -0.236 3.989 4.320 -0.159 0.000 0.218 35 A C 1.554 179.147 177.584 0.014 0.000 1.175 35 A CA 1.900 53.932 52.037 -0.009 0.000 0.628 35 A CB -0.289 18.707 19.000 -0.006 0.000 0.814 35 A HN 0.872 nan 8.150 nan 0.000 0.444 36 D N -0.781 119.622 120.400 0.006 0.000 2.144 36 D HA -0.200 4.345 4.640 -0.159 0.000 0.200 36 D C 1.556 177.955 176.300 0.164 0.000 0.978 36 D CA 1.758 55.797 54.000 0.065 0.000 0.833 36 D CB -1.071 39.767 40.800 0.062 0.000 0.961 36 D HN 0.746 nan 8.370 nan 0.000 0.470 37 H N 0.371 119.441 119.070 -0.001 0.000 2.326 37 H HA 0.094 4.555 4.556 -0.159 0.000 0.301 37 H C 2.370 177.696 175.328 -0.003 0.000 1.081 37 H CA 0.892 56.940 56.048 -0.001 0.000 1.334 37 H CB 0.258 30.020 29.762 -0.000 0.000 1.385 37 H HN 0.067 nan 8.280 nan 0.000 0.504 38 R N 0.673 121.252 120.500 0.131 0.000 2.083 38 R HA -0.112 4.133 4.340 -0.159 0.000 0.237 38 R C 2.642 178.966 176.300 0.040 0.000 1.137 38 R CA 0.963 57.099 56.100 0.061 0.000 0.951 38 R CB -0.367 29.956 30.300 0.038 0.000 0.851 38 R HN 0.247 nan 8.270 nan 0.000 0.434 39 A N 1.460 124.304 122.820 0.041 0.000 1.940 39 A HA -0.162 4.063 4.320 -0.159 0.000 0.219 39 A C 2.372 179.969 177.584 0.022 0.000 1.176 39 A CA 1.818 53.870 52.037 0.026 0.000 0.631 39 A CB -0.604 18.411 19.000 0.025 0.000 0.814 39 A HN 0.428 nan 8.150 nan 0.000 0.446 40 A N -1.287 121.551 122.820 0.031 0.000 2.067 40 A HA 0.098 4.322 4.320 -0.159 0.000 0.219 40 A C 2.023 179.606 177.584 -0.001 0.000 1.158 40 A CA 1.656 53.701 52.037 0.013 0.000 0.661 40 A CB -0.454 18.549 19.000 0.006 0.000 0.801 40 A HN 0.798 nan 8.150 nan 0.000 0.452 41 V N -0.735 119.179 119.914 0.001 0.000 3.578 41 V HA 0.062 4.086 4.120 -0.159 0.000 0.290 41 V C 1.957 178.047 176.094 -0.006 0.000 1.376 41 V CA 0.138 62.434 62.300 -0.006 0.000 1.083 41 V CB -0.665 31.154 31.823 -0.007 0.000 0.911 41 V HN 0.448 nan 8.190 nan 0.000 0.433 42 R N 0.565 121.063 120.500 -0.004 0.000 2.083 42 R HA -0.135 4.110 4.340 -0.159 0.000 0.237 42 R C 1.773 178.067 176.300 -0.010 0.000 1.137 42 R CA 2.010 58.106 56.100 -0.008 0.000 0.951 42 R CB -0.653 29.643 30.300 -0.007 0.000 0.851 42 R HN 0.511 nan 8.270 nan 0.000 0.434 43 D N 0.884 121.279 120.400 -0.009 0.000 2.144 43 D HA -0.115 4.429 4.640 -0.159 0.000 0.200 43 D C 1.965 178.259 176.300 -0.010 0.000 0.978 43 D CA 0.477 54.472 54.000 -0.009 0.000 0.833 43 D CB -0.281 40.515 40.800 -0.008 0.000 0.961 43 D HN 0.120 nan 8.370 nan 0.000 0.470 44 L N 0.461 121.678 121.223 -0.010 0.000 2.012 44 L HA -0.182 4.063 4.340 -0.159 0.000 0.210 44 L C 2.223 179.086 176.870 -0.011 0.000 1.073 44 L CA 1.241 56.075 54.840 -0.011 0.000 0.748 44 L CB -0.165 41.886 42.059 -0.012 0.000 0.891 44 L HN -0.032 nan 8.230 nan 0.000 0.431 45 I N -0.014 120.549 120.570 -0.012 0.000 2.179 45 I HA -0.318 3.757 4.170 -0.159 0.000 0.242 45 I C 2.057 178.167 176.117 -0.011 0.000 1.088 45 I CA 1.493 62.785 61.300 -0.013 0.000 1.357 45 I CB -0.552 37.439 38.000 -0.015 0.000 1.051 45 I HN 0.324 nan 8.210 nan 0.000 0.409 46 D N 1.046 121.439 120.400 -0.011 0.000 2.144 46 D HA -0.140 4.404 4.640 -0.159 0.000 0.199 46 D C 2.230 178.525 176.300 -0.009 0.000 0.984 46 D CA 1.496 55.490 54.000 -0.010 0.000 0.834 46 D CB -0.209 40.584 40.800 -0.012 0.000 0.955 46 D HN 0.354 nan 8.370 nan 0.000 0.465 47 A N 0.593 123.407 122.820 -0.009 0.000 1.972 47 A HA -0.112 4.113 4.320 -0.159 0.000 0.219 47 A C 2.266 179.846 177.584 -0.007 0.000 1.169 47 A CA 1.645 53.678 52.037 -0.008 0.000 0.635 47 A CB -0.518 18.477 19.000 -0.008 0.000 0.810 47 A HN 0.260 nan 8.150 nan 0.000 0.446 48 V N -2.565 117.344 119.914 -0.008 0.000 3.623 48 V HA 0.120 4.144 4.120 -0.159 0.000 0.271 48 V C 1.845 177.936 176.094 -0.004 0.000 1.248 48 V CA 0.791 63.087 62.300 -0.006 0.000 1.156 48 V CB -0.764 31.055 31.823 -0.008 0.000 0.870 48 V HN 0.413 nan 8.190 nan 0.000 0.453 49 L N 0.363 121.584 121.223 -0.003 0.000 2.081 49 L HA -0.079 4.165 4.340 -0.159 0.000 0.212 49 L C 0.134 177.005 176.870 0.003 0.000 1.080 49 L CA 1.967 56.807 54.840 0.000 0.000 0.754 49 L CB -1.886 40.172 42.059 -0.001 0.000 0.893 49 L HN 0.388 nan 8.230 nan 0.000 0.433 50 P HA -0.159 nan 4.420 nan 0.000 0.223 50 P C 1.068 178.370 177.300 0.003 0.000 1.144 50 P CA 1.042 64.143 63.100 0.002 0.000 0.783 50 P CB 0.022 31.722 31.700 -0.000 0.000 0.771 51 Q N -1.024 118.777 119.800 0.003 0.000 2.280 51 Q HA 0.093 4.337 4.340 -0.159 0.000 0.201 51 Q C 0.916 176.922 176.000 0.010 0.000 0.890 51 Q CA 0.489 56.295 55.803 0.004 0.000 0.947 51 Q CB -0.251 28.486 28.738 -0.001 0.000 1.081 51 Q HN 0.326 nan 8.270 nan 0.000 0.502 52 T N -4.286 110.276 114.554 0.013 0.000 2.897 52 T HA 0.593 4.848 4.350 -0.159 0.000 0.278 52 T C 1.122 175.837 174.700 0.024 0.000 0.981 52 T CA 0.183 62.295 62.100 0.020 0.000 0.973 52 T CB 1.872 70.750 68.868 0.016 0.000 1.092 52 T HN 0.254 nan 8.240 nan 0.000 0.543 53 G N 0.817 109.636 108.800 0.032 0.000 2.217 53 G HA2 -0.255 3.610 3.960 -0.159 0.000 0.246 53 G HA3 -0.255 3.610 3.960 -0.159 0.000 0.246 53 G C 0.514 175.437 174.900 0.038 0.000 0.990 53 G CA 0.090 45.211 45.100 0.034 0.000 0.627 53 G HN 0.848 nan 8.290 nan 0.000 0.522 54 R N 0.796 121.320 120.500 0.040 0.000 4.394 54 R HA 0.614 4.859 4.340 -0.159 0.000 0.257 54 R C 0.463 176.801 176.300 0.063 0.000 1.727 54 R CA 0.663 56.789 56.100 0.044 0.000 1.497 54 R CB 0.313 30.635 30.300 0.036 0.000 1.406 54 R HN 0.624 nan 8.270 nan 0.000 0.745 55 A N 0.709 123.570 122.820 0.069 0.000 2.539 55 A HA 0.562 4.786 4.320 -0.159 0.000 0.296 55 A C -0.552 177.081 177.584 0.083 0.000 1.073 55 A CA -0.797 51.295 52.037 0.091 0.000 0.700 55 A CB 1.273 20.334 19.000 0.102 0.000 1.296 55 A HN 0.273 nan 8.150 nan 0.000 0.405 56 I N 1.430 122.061 120.570 0.103 0.000 2.325 56 I HA 0.297 4.372 4.170 -0.159 0.000 0.291 56 I C 0.164 176.343 176.117 0.104 0.000 1.019 56 I CA -0.107 61.239 61.300 0.078 0.000 1.302 56 I CB 0.997 39.034 38.000 0.062 0.000 1.401 56 I HN 0.583 nan 8.210 nan 0.000 0.485 57 R N 5.557 126.105 120.500 0.080 0.000 2.265 57 R HA 0.594 4.839 4.340 -0.159 0.000 0.328 57 R C -1.200 175.165 176.300 0.107 0.000 0.969 57 R CA -0.578 55.579 56.100 0.096 0.000 0.832 57 R CB 1.815 32.168 30.300 0.088 0.000 1.139 57 R HN 0.352 nan 8.270 nan 0.000 0.457 58 V N 2.296 122.285 119.914 0.125 0.000 2.444 58 V HA 0.493 4.518 4.120 -0.159 0.000 0.294 58 V C 0.476 176.656 176.094 0.142 0.000 1.022 58 V CA -0.912 61.473 62.300 0.141 0.000 0.850 58 V CB 1.915 33.819 31.823 0.135 0.000 0.992 58 V HN 0.923 nan 8.190 nan 0.000 0.426 59 G N 4.617 113.527 108.800 0.183 0.000 2.377 59 G HA2 0.743 4.608 3.960 -0.159 0.000 0.299 59 G HA3 0.743 4.608 3.960 -0.159 0.000 0.299 59 G C -0.840 174.005 174.900 -0.092 0.000 1.150 59 G CA -0.402 44.798 45.100 0.167 0.000 0.847 59 G HN 0.616 nan 8.290 nan 0.000 0.501 60 I N 0.756 121.249 120.570 -0.128 0.000 2.499 60 I HA 0.429 4.504 4.170 -0.159 0.000 0.288 60 I C -0.076 175.910 176.117 -0.218 0.000 1.048 60 I CA -0.545 60.619 61.300 -0.226 0.000 1.062 60 I CB 2.682 40.634 38.000 -0.081 0.000 1.238 60 I HN 0.500 nan 8.210 nan 0.000 0.426 61 T N 3.328 117.688 114.554 -0.323 0.000 2.865 61 T HA 0.931 5.185 4.350 -0.159 0.000 0.294 61 T C -0.786 173.853 174.700 -0.102 0.000 1.119 61 T CA -0.554 61.460 62.100 -0.143 0.000 1.007 61 T CB 2.137 70.986 68.868 -0.032 0.000 1.225 61 T HN 0.986 nan 8.240 nan 0.000 0.515 62 G N 0.688 109.468 108.800 -0.034 0.000 2.404 62 G HA2 0.452 4.316 3.960 -0.159 0.000 0.298 62 G HA3 0.452 4.316 3.960 -0.159 0.000 0.298 62 G C -0.711 174.190 174.900 0.002 0.000 1.577 62 G CA -0.100 44.987 45.100 -0.022 0.000 0.847 62 G HN 1.311 nan 8.290 nan 0.000 0.598 63 V N -0.652 119.267 119.914 0.008 0.000 2.872 63 V HA 0.505 4.530 4.120 -0.159 0.000 0.307 63 V C -1.903 174.197 176.094 0.011 0.000 1.072 63 V CA -1.422 60.887 62.300 0.016 0.000 1.148 63 V CB 0.351 32.187 31.823 0.021 0.000 0.954 63 V HN 0.560 nan 8.190 nan 0.000 0.490 64 P HA 0.220 nan 4.420 nan 0.000 0.261 64 P C 1.035 178.340 177.300 0.008 0.000 1.173 64 P CA 1.904 65.009 63.100 0.008 0.000 0.760 64 P CB 0.377 32.083 31.700 0.010 0.000 0.783 65 G N 1.844 110.647 108.800 0.004 0.000 2.195 65 G HA2 -0.297 3.568 3.960 -0.159 0.000 0.246 65 G HA3 -0.297 3.568 3.960 -0.159 0.000 0.246 65 G C 0.902 175.806 174.900 0.005 0.000 0.984 65 G CA 0.095 45.198 45.100 0.005 0.000 0.633 65 G HN 0.535 nan 8.290 nan 0.000 0.525 66 V N 0.847 120.763 119.914 0.005 0.000 3.141 66 V HA 0.424 4.448 4.120 -0.159 0.000 0.265 66 V C 2.008 178.102 176.094 0.000 0.000 1.126 66 V CA 2.866 65.170 62.300 0.006 0.000 1.141 66 V CB -0.266 31.559 31.823 0.003 0.000 0.743 66 V HN 2.262 nan 8.190 nan 0.000 0.492 67 G N 0.148 108.944 108.800 -0.006 0.000 2.141 67 G HA2 -0.283 3.582 3.960 -0.159 0.000 0.195 67 G HA3 -0.283 3.582 3.960 -0.159 0.000 0.195 67 G C 0.756 175.647 174.900 -0.016 0.000 1.012 67 G CA 0.572 45.664 45.100 -0.014 0.000 0.696 67 G HN 0.496 nan 8.290 nan 0.000 0.508 68 K N 0.376 120.766 120.400 -0.015 0.000 2.002 68 K HA -0.045 4.180 4.320 -0.159 0.000 0.209 68 K C 2.632 179.220 176.600 -0.020 0.000 1.048 68 K CA 2.006 58.282 56.287 -0.019 0.000 0.930 68 K CB -0.310 32.179 32.500 -0.019 0.000 0.714 68 K HN 0.314 nan 8.250 nan 0.000 0.438 69 S N 0.161 115.849 115.700 -0.020 0.000 2.359 69 S HA -0.131 4.244 4.470 -0.159 0.000 0.224 69 S C 1.919 176.503 174.600 -0.027 0.000 1.035 69 S CA 1.881 60.067 58.200 -0.024 0.000 1.018 69 S CB -0.471 62.716 63.200 -0.023 0.000 0.876 69 S HN 0.463 nan 8.310 nan 0.000 0.448 70 T N 1.878 116.414 114.554 -0.030 0.000 2.720 70 T HA -0.106 4.148 4.350 -0.159 0.000 0.268 70 T C 2.034 176.713 174.700 -0.034 0.000 1.037 70 T CA 1.786 63.863 62.100 -0.037 0.000 1.144 70 T CB -0.698 68.142 68.868 -0.047 0.000 0.864 70 T HN 0.436 nan 8.240 nan 0.000 0.444 71 T N 1.968 116.506 114.554 -0.026 0.000 2.777 71 T HA 0.071 4.325 4.350 -0.159 0.000 0.266 71 T C 1.996 176.684 174.700 -0.021 0.000 1.040 71 T CA 0.837 62.926 62.100 -0.018 0.000 1.141 71 T CB -0.367 68.496 68.868 -0.008 0.000 0.868 71 T HN 0.322 nan 8.240 nan 0.000 0.444 72 I N 1.164 121.720 120.570 -0.023 0.000 2.226 72 I HA -0.173 3.902 4.170 -0.159 0.000 0.245 72 I C 2.463 178.558 176.117 -0.038 0.000 1.100 72 I CA 1.343 62.627 61.300 -0.028 0.000 1.374 72 I CB -0.358 37.628 38.000 -0.024 0.000 1.057 72 I HN 0.212 nan 8.210 nan 0.000 0.413 73 D N 0.979 121.358 120.400 -0.035 0.000 2.092 73 D HA -0.200 4.345 4.640 -0.159 0.000 0.193 73 D C 2.183 178.459 176.300 -0.039 0.000 0.994 73 D CA 1.745 55.724 54.000 -0.036 0.000 0.828 73 D CB 0.049 40.829 40.800 -0.033 0.000 0.963 73 D HN 0.299 nan 8.370 nan 0.000 0.450 74 A N -0.162 122.636 122.820 -0.037 0.000 1.898 74 A HA -0.080 4.145 4.320 -0.159 0.000 0.216 74 A C 2.155 179.710 177.584 -0.049 0.000 1.181 74 A CA 1.381 53.397 52.037 -0.035 0.000 0.620 74 A CB -0.897 18.087 19.000 -0.026 0.000 0.819 74 A HN 0.386 nan 8.150 nan 0.000 0.442 75 L N 0.132 121.320 121.223 -0.058 0.000 2.027 75 L HA 0.027 4.271 4.340 -0.159 0.000 0.206 75 L C 2.386 179.155 176.870 -0.168 0.000 1.074 75 L CA 2.366 57.146 54.840 -0.101 0.000 0.745 75 L CB -1.135 40.880 42.059 -0.073 0.000 0.898 75 L HN 0.288 nan 8.230 nan 0.000 0.433 76 G N -1.490 107.233 108.800 -0.128 0.000 2.440 76 G HA2 -0.262 3.602 3.960 -0.159 0.000 0.218 76 G HA3 -0.262 3.602 3.960 -0.159 0.000 0.218 76 G C 1.589 176.431 174.900 -0.096 0.000 1.154 76 G CA 0.949 45.975 45.100 -0.124 0.000 0.767 76 G HN 0.482 nan 8.290 nan 0.000 0.552 77 S N 0.258 115.917 115.700 -0.069 0.000 2.368 77 S HA 0.033 4.408 4.470 -0.159 0.000 0.224 77 S C 2.298 176.865 174.600 -0.055 0.000 1.029 77 S CA 0.613 58.784 58.200 -0.047 0.000 0.988 77 S CB -0.215 62.965 63.200 -0.033 0.000 0.838 77 S HN 0.311 nan 8.310 nan 0.000 0.462 78 L N 0.969 122.147 121.223 -0.075 0.000 2.042 78 L HA -0.132 4.113 4.340 -0.159 0.000 0.210 78 L C 2.231 179.046 176.870 -0.091 0.000 1.076 78 L CA 1.160 55.955 54.840 -0.075 0.000 0.749 78 L CB -0.552 41.458 42.059 -0.082 0.000 0.893 78 L HN 0.309 nan 8.230 nan 0.000 0.432 79 L N -0.663 120.460 121.223 -0.165 0.000 2.056 79 L HA -0.193 4.051 4.340 -0.159 0.000 0.207 79 L C 2.823 179.702 176.870 0.015 0.000 1.078 79 L CA 1.908 56.662 54.840 -0.143 0.000 0.749 79 L CB -0.884 40.935 42.059 -0.399 0.000 0.901 79 L HN 0.456 nan 8.230 nan 0.000 0.433 80 T N -2.825 111.717 114.554 -0.020 0.000 2.857 80 T HA -0.065 4.190 4.350 -0.159 0.000 0.266 80 T C 1.948 176.636 174.700 -0.020 0.000 1.048 80 T CA 0.782 62.882 62.100 -0.000 0.000 1.139 80 T CB -0.365 68.506 68.868 0.005 0.000 0.874 80 T HN 0.281 nan 8.240 nan 0.000 0.455 81 A N 1.824 124.629 122.820 -0.025 0.000 1.978 81 A HA 0.354 4.578 4.320 -0.159 0.000 0.220 81 A C 2.536 180.097 177.584 -0.038 0.000 1.170 81 A CA 1.553 53.574 52.037 -0.028 0.000 0.636 81 A CB -1.110 17.876 19.000 -0.023 0.000 0.810 81 A HN 0.803 nan 8.150 nan 0.000 0.448 82 A N -1.993 120.803 122.820 -0.039 0.000 2.278 82 A HA 0.438 4.662 4.320 -0.159 0.000 0.212 82 A C 1.651 179.113 177.584 -0.202 0.000 1.213 82 A CA 1.079 53.072 52.037 -0.073 0.000 0.840 82 A CB -0.877 18.120 19.000 -0.005 0.000 0.866 82 A HN 1.846 nan 8.150 nan 0.000 0.489 83 G N -1.226 107.473 108.800 -0.168 0.000 2.175 83 G HA2 -0.199 3.665 3.960 -0.159 0.000 0.244 83 G HA3 -0.199 3.665 3.960 -0.159 0.000 0.244 83 G C 0.107 174.863 174.900 -0.240 0.000 0.982 83 G CA 0.150 45.131 45.100 -0.199 0.000 0.641 83 G HN 0.653 nan 8.290 nan 0.000 0.527 84 H N 0.570 119.605 119.070 -0.059 0.000 2.615 84 H HA 0.415 4.876 4.556 -0.159 0.000 0.363 84 H C 0.335 175.634 175.328 -0.049 0.000 1.148 84 H CA 0.255 56.270 56.048 -0.054 0.000 1.401 84 H CB 0.805 30.520 29.762 -0.078 0.000 1.461 84 H HN 0.222 nan 8.280 nan 0.000 0.588 85 K N 1.799 122.255 120.400 0.093 0.000 2.293 85 K HA 0.383 4.608 4.320 -0.159 0.000 0.267 85 K C -0.970 175.812 176.600 0.302 0.000 1.010 85 K CA -0.495 55.802 56.287 0.017 0.000 0.875 85 K CB 1.573 33.873 32.500 -0.333 0.000 1.106 85 K HN 0.172 nan 8.250 nan 0.000 0.450 86 V N 2.511 122.666 119.914 0.401 0.000 2.409 86 V HA 0.504 4.528 4.120 -0.159 0.000 0.291 86 V C -0.277 175.979 176.094 0.271 0.000 1.020 86 V CA -0.945 61.532 62.300 0.295 0.000 0.848 86 V CB 1.437 33.314 31.823 0.089 0.000 0.990 86 V HN 0.863 nan 8.190 nan 0.000 0.430 87 A N 4.734 127.587 122.820 0.054 0.000 2.312 87 A HA 0.859 5.084 4.320 -0.159 0.000 0.326 87 A C -0.660 176.895 177.584 -0.048 0.000 1.172 87 A CA -0.521 51.408 52.037 -0.179 0.000 0.821 87 A CB 1.385 20.121 19.000 -0.440 0.000 1.166 87 A HN 0.718 nan 8.150 nan 0.000 0.493 88 V N 4.030 123.920 119.914 -0.039 0.000 2.409 88 V HA 0.391 4.416 4.120 -0.159 0.000 0.290 88 V C -0.360 175.707 176.094 -0.044 0.000 1.017 88 V CA -0.152 62.128 62.300 -0.032 0.000 0.841 88 V CB 0.773 32.576 31.823 -0.034 0.000 1.003 88 V HN 0.770 nan 8.190 nan 0.000 0.426 89 L N 3.655 124.859 121.223 -0.031 0.000 2.330 89 L HA 0.981 5.225 4.340 -0.159 0.000 0.271 89 L C 0.176 177.031 176.870 -0.025 0.000 1.013 89 L CA -0.694 54.125 54.840 -0.034 0.000 0.816 89 L CB 2.079 44.119 42.059 -0.032 0.000 1.287 89 L HN 0.684 nan 8.230 nan 0.000 0.435 90 A N 1.697 124.499 122.820 -0.030 0.000 2.401 90 A HA 0.822 5.047 4.320 -0.159 0.000 0.310 90 A C -1.109 176.466 177.584 -0.016 0.000 1.075 90 A CA -0.517 51.510 52.037 -0.018 0.000 0.746 90 A CB 1.987 20.973 19.000 -0.023 0.000 1.277 90 A HN 0.369 nan 8.150 nan 0.000 0.425 91 V N 2.402 122.316 119.914 0.001 0.000 2.407 91 V HA 0.431 4.455 4.120 -0.159 0.000 0.291 91 V C -1.229 174.873 176.094 0.014 0.000 1.018 91 V CA -0.395 61.906 62.300 0.002 0.000 0.842 91 V CB 1.545 33.377 31.823 0.014 0.000 0.996 91 V HN 0.904 nan 8.190 nan 0.000 0.426 92 D N 6.676 127.080 120.400 0.006 0.000 2.469 92 D HA 0.447 4.991 4.640 -0.159 0.000 0.251 92 D C -1.959 174.348 176.300 0.011 0.000 1.173 92 D CA -2.060 51.946 54.000 0.010 0.000 0.882 92 D CB 2.967 43.767 40.800 0.001 0.000 1.129 92 D HN 0.140 nan 8.370 nan 0.000 0.549 93 P HA -0.142 nan 4.420 nan 0.000 0.219 93 P C 1.280 178.588 177.300 0.014 0.000 1.146 93 P CA 1.023 64.135 63.100 0.019 0.000 0.808 93 P CB 0.199 31.914 31.700 0.024 0.000 0.779 94 S N -1.937 113.770 115.700 0.011 0.000 2.507 94 S HA -0.058 4.316 4.470 -0.159 0.000 0.235 94 S C 1.899 176.502 174.600 0.006 0.000 0.988 94 S CA 0.981 59.186 58.200 0.008 0.000 0.944 94 S CB -1.319 61.885 63.200 0.007 0.000 0.762 94 S HN -0.002 nan 8.310 nan 0.000 0.526 95 S N 2.020 117.723 115.700 0.004 0.000 2.419 95 S HA -0.107 4.268 4.470 -0.159 0.000 0.235 95 S C 2.143 176.746 174.600 0.005 0.000 1.019 95 S CA 1.659 59.861 58.200 0.002 0.000 0.982 95 S CB -0.879 62.320 63.200 -0.001 0.000 0.789 95 S HN 0.977 nan 8.310 nan 0.000 0.490 96 T N -0.137 114.422 114.554 0.008 0.000 2.995 96 T HA 0.013 4.267 4.350 -0.159 0.000 0.269 96 T C 1.627 176.334 174.700 0.011 0.000 1.091 96 T CA 0.768 62.874 62.100 0.011 0.000 1.128 96 T CB -0.123 68.753 68.868 0.013 0.000 0.891 96 T HN 0.346 nan 8.240 nan 0.000 0.492 97 R N 1.029 121.534 120.500 0.009 0.000 2.189 97 R HA 0.060 4.305 4.340 -0.159 0.000 0.203 97 R C 2.180 178.484 176.300 0.006 0.000 1.012 97 R CA 1.294 57.399 56.100 0.009 0.000 1.015 97 R CB 0.095 30.400 30.300 0.008 0.000 0.938 97 R HN 0.580 nan 8.270 nan 0.000 0.472 98 T N -4.608 109.948 114.554 0.004 0.000 3.001 98 T HA 0.241 4.496 4.350 -0.159 0.000 0.251 98 T C 1.264 175.964 174.700 0.001 0.000 1.040 98 T CA 0.476 62.577 62.100 0.002 0.000 0.985 98 T CB 0.993 69.861 68.868 0.000 0.000 1.011 98 T HN 0.296 nan 8.240 nan 0.000 0.509 99 G N 1.114 109.915 108.800 0.002 0.000 2.179 99 G HA2 0.230 4.095 3.960 -0.159 0.000 0.260 99 G HA3 0.230 4.095 3.960 -0.159 0.000 0.260 99 G C 0.903 175.802 174.900 -0.002 0.000 0.977 99 G CA 0.211 45.312 45.100 0.001 0.000 0.641 99 G HN 1.912 nan 8.290 nan 0.000 0.533 100 G N -1.516 107.282 108.800 -0.003 0.000 2.758 100 G HA2 0.313 4.178 3.960 -0.159 0.000 0.686 100 G HA3 0.313 4.178 3.960 -0.159 0.000 0.686 100 G C -0.123 174.771 174.900 -0.010 0.000 1.389 100 G CA 0.566 45.661 45.100 -0.007 0.000 0.845 100 G HN 1.865 nan 8.290 nan 0.000 0.572 101 S N -0.749 114.942 115.700 -0.015 0.000 2.554 101 S HA 0.615 4.989 4.470 -0.159 0.000 0.278 101 S C 1.884 176.471 174.600 -0.022 0.000 1.242 101 S CA -0.184 58.006 58.200 -0.018 0.000 1.051 101 S CB 0.855 64.042 63.200 -0.022 0.000 0.986 101 S HN 0.618 nan 8.310 nan 0.000 0.502 102 I N 3.928 124.486 120.570 -0.020 0.000 2.193 102 I HA -0.088 3.986 4.170 -0.159 0.000 0.240 102 I C 1.515 177.612 176.117 -0.034 0.000 1.084 102 I CA 1.194 62.481 61.300 -0.022 0.000 1.365 102 I CB -0.089 37.901 38.000 -0.016 0.000 1.064 102 I HN 0.612 nan 8.210 nan 0.000 0.410 103 L N -0.297 120.906 121.223 -0.034 0.000 2.513 103 L HA 0.305 4.549 4.340 -0.159 0.000 0.222 103 L C 1.347 178.186 176.870 -0.052 0.000 1.096 103 L CA 0.287 55.101 54.840 -0.044 0.000 0.857 103 L CB -0.433 41.605 42.059 -0.035 0.000 1.026 103 L HN 0.466 nan 8.230 nan 0.000 0.469 104 G N 1.135 109.909 108.800 -0.044 0.000 2.569 104 G HA2 -0.327 3.538 3.960 -0.159 0.000 0.259 104 G HA3 -0.327 3.538 3.960 -0.159 0.000 0.259 104 G C -0.675 174.202 174.900 -0.039 0.000 1.263 104 G CA 0.149 45.222 45.100 -0.044 0.000 0.928 104 G HN 0.312 nan 8.290 nan 0.000 0.572 105 D N -0.350 120.026 120.400 -0.040 0.000 2.602 105 D HA 0.552 5.097 4.640 -0.159 0.000 0.245 105 D C 0.535 176.812 176.300 -0.039 0.000 1.325 105 D CA -0.554 53.425 54.000 -0.034 0.000 0.952 105 D CB 0.985 41.769 40.800 -0.026 0.000 1.317 105 D HN 0.438 nan 8.370 nan 0.000 0.577 106 K N 1.605 121.982 120.400 -0.039 0.000 2.438 106 K HA 0.110 4.335 4.320 -0.159 0.000 0.206 106 K C 1.131 177.712 176.600 -0.032 0.000 1.081 106 K CA -0.041 56.222 56.287 -0.040 0.000 1.053 106 K CB 0.799 33.269 32.500 -0.050 0.000 0.908 106 K HN 0.326 nan 8.250 nan 0.000 0.556 107 T N 1.892 116.430 114.554 -0.027 0.000 2.802 107 T HA -0.214 4.041 4.350 -0.159 0.000 0.269 107 T C 1.046 175.732 174.700 -0.023 0.000 1.062 107 T CA 1.306 63.392 62.100 -0.023 0.000 1.133 107 T CB -0.333 68.523 68.868 -0.020 0.000 0.852 107 T HN 0.375 nan 8.240 nan 0.000 0.485 111 R N 0.310 120.799 120.500 -0.019 0.000 2.073 111 R HA 0.101 4.345 4.340 -0.159 0.000 0.234 111 R C 1.933 178.225 176.300 -0.014 0.000 1.134 111 R CA 1.696 57.787 56.100 -0.015 0.000 0.952 111 R CB -0.359 29.931 30.300 -0.016 0.000 0.850 111 R HN 0.519 nan 8.270 nan 0.000 0.433 112 L N 0.188 121.401 121.223 -0.017 0.000 2.131 112 L HA -0.130 4.114 4.340 -0.159 0.000 0.210 112 L C 2.445 179.308 176.870 -0.012 0.000 1.092 112 L CA 0.977 55.809 54.840 -0.012 0.000 0.759 112 L CB -0.460 41.587 42.059 -0.018 0.000 0.903 112 L HN 0.302 nan 8.230 nan 0.000 0.435 113 A N 0.530 123.337 122.820 -0.022 0.000 2.019 113 A HA -0.164 4.060 4.320 -0.159 0.000 0.219 113 A C 1.914 179.485 177.584 -0.022 0.000 1.164 113 A CA 1.627 53.645 52.037 -0.031 0.000 0.644 113 A CB -0.538 18.441 19.000 -0.035 0.000 0.805 113 A HN 0.636 nan 8.150 nan 0.000 0.449 114 I N -4.410 116.154 120.570 -0.011 0.000 4.018 114 I HA 0.261 4.335 4.170 -0.159 0.000 0.337 114 I C -0.078 176.043 176.117 0.007 0.000 1.327 114 I CA -0.314 60.984 61.300 -0.004 0.000 1.100 114 I CB 0.282 38.278 38.000 -0.006 0.000 1.025 114 I HN -0.081 nan 8.210 nan 0.000 0.396 115 D N 2.462 122.869 120.400 0.012 0.000 2.339 115 D HA 0.138 4.683 4.640 -0.159 0.000 0.241 115 D C 1.082 177.411 176.300 0.049 0.000 1.183 115 D CA -0.204 53.810 54.000 0.023 0.000 0.859 115 D CB 0.972 41.783 40.800 0.019 0.000 1.067 115 D HN 0.100 nan 8.370 nan 0.000 0.484 116 R N 3.113 123.642 120.500 0.048 0.000 2.285 116 R HA -0.023 4.221 4.340 -0.159 0.000 0.213 116 R C 0.722 177.082 176.300 0.099 0.000 1.068 116 R CA 0.300 56.445 56.100 0.074 0.000 1.004 116 R CB -0.119 30.211 30.300 0.050 0.000 0.873 116 R HN 0.498 nan 8.270 nan 0.000 0.467 117 N N 0.518 119.262 118.700 0.075 0.000 2.467 117 N HA 0.018 4.662 4.740 -0.159 0.000 0.184 117 N C 0.297 175.911 175.510 0.173 0.000 1.106 117 N CA 0.319 53.412 53.050 0.071 0.000 0.892 117 N CB 0.445 38.948 38.487 0.026 0.000 0.969 117 N HN 0.105 nan 8.380 nan 0.000 0.454 118 A N 0.208 123.148 122.820 0.201 0.000 2.354 118 A HA 0.688 4.912 4.320 -0.159 0.000 0.321 118 A C -1.391 176.392 177.584 0.331 0.000 1.125 118 A CA -0.517 51.678 52.037 0.263 0.000 0.799 118 A CB 1.200 20.273 19.000 0.121 0.000 1.293 118 A HN 0.119 nan 8.150 nan 0.000 0.452 119 F N 1.536 121.524 119.950 0.063 0.000 2.745 119 F HA 0.614 5.045 4.527 -0.160 0.000 0.343 119 F C -1.238 174.477 175.800 -0.141 0.000 1.196 119 F CA -0.479 57.484 58.000 -0.063 0.000 1.021 119 F CB 1.020 39.858 39.000 -0.269 0.000 1.297 119 F HN 0.413 nan 8.300 nan 0.000 0.486 120 I N 6.390 126.751 120.570 -0.348 0.000 2.404 120 I HA 0.549 4.623 4.170 -0.159 0.000 0.293 120 I C -0.515 175.378 176.117 -0.374 0.000 0.992 120 I CA -0.840 60.304 61.300 -0.259 0.000 1.149 120 I CB 1.391 39.298 38.000 -0.155 0.000 1.315 120 I HN 0.397 nan 8.210 nan 0.000 0.446 121 R N 6.099 126.451 120.500 -0.246 0.000 2.621 121 R HA 0.538 4.783 4.340 -0.159 0.000 0.292 121 R C -2.627 173.602 176.300 -0.118 0.000 0.969 121 R CA -1.919 54.057 56.100 -0.206 0.000 0.887 121 R CB 2.026 32.243 30.300 -0.139 0.000 1.180 121 R HN 0.297 nan 8.270 nan 0.000 0.450 122 P HA 0.040 nan 4.420 nan 0.000 0.274 122 P C -0.042 177.228 177.300 -0.051 0.000 1.246 122 P CA -0.374 62.686 63.100 -0.066 0.000 0.795 122 P CB 0.581 32.246 31.700 -0.059 0.000 1.006 123 S N 1.607 117.284 115.700 -0.038 0.000 2.558 123 S HA 0.168 4.543 4.470 -0.159 0.000 0.288 123 S C -1.969 172.613 174.600 -0.030 0.000 1.318 123 S CA -0.818 57.363 58.200 -0.032 0.000 1.056 123 S CB -0.802 62.386 63.200 -0.021 0.000 0.853 123 S HN 0.255 nan 8.310 nan 0.000 0.505 124 P HA 0.266 nan 4.420 nan 0.000 0.274 124 P C -0.868 176.421 177.300 -0.019 0.000 1.256 124 P CA -0.543 62.541 63.100 -0.026 0.000 0.795 124 P CB 0.639 32.319 31.700 -0.033 0.000 1.038 125 S N -0.466 115.227 115.700 -0.012 0.000 2.578 125 S HA 0.699 5.074 4.470 -0.159 0.000 0.301 125 S C -0.631 173.968 174.600 -0.002 0.000 1.091 125 S CA -0.263 57.934 58.200 -0.005 0.000 1.032 125 S CB 0.331 63.529 63.200 -0.002 0.000 1.064 125 S HN 0.471 nan 8.310 nan 0.000 0.508 126 S N 0.936 116.638 115.700 0.004 0.000 2.615 126 S HA 0.561 4.936 4.470 -0.159 0.000 0.269 126 S C 0.916 175.526 174.600 0.018 0.000 1.161 126 S CA -0.063 58.144 58.200 0.012 0.000 0.817 126 S CB 0.904 64.111 63.200 0.013 0.000 1.131 126 S HN 0.930 nan 8.310 nan 0.000 0.467 127 G N 0.770 109.587 108.800 0.028 0.000 2.498 127 G HA2 0.156 4.020 3.960 -0.159 0.000 0.219 127 G HA3 0.156 4.020 3.960 -0.159 0.000 0.219 127 G C 0.506 175.421 174.900 0.024 0.000 1.119 127 G CA 1.370 46.491 45.100 0.035 0.000 0.766 127 G HN 1.013 nan 8.290 nan 0.000 0.552 128 T N -3.813 110.754 114.554 0.020 0.000 2.883 128 T HA 0.439 4.694 4.350 -0.159 0.000 0.301 128 T C 0.829 175.544 174.700 0.024 0.000 1.158 128 T CA -0.509 61.598 62.100 0.011 0.000 1.007 128 T CB 1.749 70.613 68.868 -0.006 0.000 1.186 128 T HN -0.028 nan 8.240 nan 0.000 0.499 129 L N 2.327 123.568 121.223 0.029 0.000 2.013 129 L HA 0.161 4.406 4.340 -0.159 0.000 0.212 129 L C 2.542 179.460 176.870 0.080 0.000 1.073 129 L CA 2.941 57.809 54.840 0.047 0.000 0.753 129 L CB -1.295 40.795 42.059 0.053 0.000 0.890 129 L HN 0.996 nan 8.230 nan 0.000 0.432 130 G N -1.121 107.748 108.800 0.114 0.000 2.469 130 G HA2 -0.268 3.597 3.960 -0.159 0.000 0.219 130 G HA3 -0.268 3.597 3.960 -0.159 0.000 0.219 130 G C 1.520 176.515 174.900 0.158 0.000 1.150 130 G CA 0.708 45.932 45.100 0.207 0.000 0.763 130 G HN 0.643 nan 8.290 nan 0.000 0.561 131 G N 0.217 109.069 108.800 0.087 0.000 2.418 131 G HA2 -0.126 3.738 3.960 -0.159 0.000 0.217 131 G HA3 -0.126 3.738 3.960 -0.159 0.000 0.217 131 G C 1.781 176.674 174.900 -0.011 0.000 1.158 131 G CA 1.194 46.320 45.100 0.043 0.000 0.771 131 G HN 0.341 nan 8.290 nan 0.000 0.545 132 V N 1.466 121.372 119.914 -0.012 0.000 2.295 132 V HA -0.121 3.904 4.120 -0.159 0.000 0.246 132 V C 3.322 179.346 176.094 -0.117 0.000 1.049 132 V CA 2.105 64.379 62.300 -0.044 0.000 1.024 132 V CB -0.850 30.961 31.823 -0.019 0.000 0.648 132 V HN 0.470 nan 8.190 nan 0.000 0.447 133 A N -0.157 122.576 122.820 -0.144 0.000 1.898 133 A HA -0.067 4.157 4.320 -0.159 0.000 0.216 133 A C 2.402 179.551 177.584 -0.725 0.000 1.181 133 A CA 1.962 53.775 52.037 -0.372 0.000 0.620 133 A CB -0.755 18.078 19.000 -0.278 0.000 0.819 133 A HN 0.565 nan 8.150 nan 0.000 0.442 134 A N -0.124 122.359 122.820 -0.562 0.000 1.933 134 A HA -0.154 4.071 4.320 -0.159 0.000 0.218 134 A C 2.092 179.484 177.584 -0.320 0.000 1.175 134 A CA 1.787 53.529 52.037 -0.493 0.000 0.628 134 A CB -0.414 18.544 19.000 -0.070 0.000 0.814 134 A HN 0.541 nan 8.150 nan 0.000 0.444 135 K N -0.883 119.395 120.400 -0.203 0.000 2.097 135 K HA -0.097 4.127 4.320 -0.159 0.000 0.206 135 K C 2.029 178.531 176.600 -0.163 0.000 1.049 135 K CA 1.693 57.898 56.287 -0.138 0.000 0.933 135 K CB -0.367 32.084 32.500 -0.083 0.000 0.717 135 K HN 0.458 nan 8.250 nan 0.000 0.442 136 T N 0.738 115.163 114.554 -0.215 0.000 2.788 136 T HA -0.146 4.108 4.350 -0.159 0.000 0.268 136 T C 1.784 176.352 174.700 -0.220 0.000 1.044 136 T CA 1.328 63.313 62.100 -0.192 0.000 1.139 136 T CB -0.128 68.628 68.868 -0.188 0.000 0.867 136 T HN 0.134 nan 8.240 nan 0.000 0.454 137 R N 1.470 121.759 120.500 -0.352 0.000 2.081 137 R HA -0.054 4.191 4.340 -0.159 0.000 0.235 137 R C 2.298 178.502 176.300 -0.160 0.000 1.131 137 R CA 1.403 57.322 56.100 -0.302 0.000 0.960 137 R CB -0.390 29.623 30.300 -0.480 0.000 0.856 137 R HN 0.322 nan 8.270 nan 0.000 0.436 138 E N 0.041 120.155 120.200 -0.143 0.000 2.077 138 E HA -0.082 4.173 4.350 -0.159 0.000 0.193 138 E C 0.672 177.234 176.600 -0.064 0.000 0.989 138 E CA 1.150 57.502 56.400 -0.080 0.000 0.800 138 E CB -0.633 29.028 29.700 -0.065 0.000 0.746 138 E HN 0.313 nan 8.360 nan 0.000 0.452 142 L N 0.325 121.532 121.223 -0.027 0.000 2.017 142 L HA -0.232 4.012 4.340 -0.159 0.000 0.208 142 L C 2.582 179.431 176.870 -0.034 0.000 1.073 142 L CA 1.929 56.750 54.840 -0.031 0.000 0.745 142 L CB -0.488 41.548 42.059 -0.038 0.000 0.894 142 L HN 0.481 nan 8.230 nan 0.000 0.432 143 C N -0.076 119.185 119.300 -0.065 0.000 2.413 143 C HA -0.169 4.195 4.460 -0.159 0.000 0.276 143 C C 2.655 177.720 174.990 0.124 0.000 1.248 143 C CA 0.834 59.811 59.018 -0.069 0.000 1.742 143 C CB -0.816 26.784 27.740 -0.235 0.000 2.017 143 C HN 0.519 nan 8.230 nan 0.000 0.481 144 E N 0.841 121.083 120.200 0.071 0.000 2.077 144 E HA -0.153 4.101 4.350 -0.159 0.000 0.193 144 E C 2.362 178.997 176.600 0.060 0.000 0.989 144 E CA 1.307 57.759 56.400 0.087 0.000 0.800 144 E CB -0.288 29.445 29.700 0.055 0.000 0.746 144 E HN 0.666 nan 8.360 nan 0.000 0.452 145 A N 1.324 124.163 122.820 0.032 0.000 1.972 145 A HA -0.093 4.131 4.320 -0.159 0.000 0.219 145 A C 2.289 179.877 177.584 0.007 0.000 1.169 145 A CA 1.554 53.598 52.037 0.013 0.000 0.635 145 A CB -0.440 18.560 19.000 0.001 0.000 0.810 145 A HN 0.278 nan 8.150 nan 0.000 0.446 146 A N -2.124 120.712 122.820 0.027 0.000 2.206 146 A HA 0.401 4.625 4.320 -0.159 0.000 0.211 146 A C 1.762 179.307 177.584 -0.065 0.000 1.158 146 A CA 1.320 53.359 52.037 0.004 0.000 0.761 146 A CB -0.694 18.331 19.000 0.043 0.000 0.801 146 A HN 1.835 nan 8.150 nan 0.000 0.473 147 G N -2.254 106.525 108.800 -0.036 0.000 2.184 147 G HA2 -0.190 3.675 3.960 -0.159 0.000 0.206 147 G HA3 -0.190 3.675 3.960 -0.159 0.000 0.206 147 G C -0.027 174.770 174.900 -0.172 0.000 0.995 147 G CA -0.236 44.794 45.100 -0.116 0.000 0.651 147 G HN 0.275 nan 8.290 nan 0.000 0.511 148 F N 2.362 122.282 119.950 -0.049 0.000 2.578 148 F HA 0.343 4.774 4.527 -0.160 0.000 0.381 148 F C 1.566 177.374 175.800 0.013 0.000 1.069 148 F CA 0.560 58.547 58.000 -0.022 0.000 1.231 148 F CB 0.897 39.871 39.000 -0.044 0.000 1.086 148 F HN 0.212 nan 8.300 nan 0.000 0.564 149 D N 0.838 121.345 120.400 0.178 0.000 2.369 149 D HA 0.082 4.627 4.640 -0.159 0.000 0.211 149 D C -0.181 176.217 176.300 0.164 0.000 1.077 149 D CA 0.450 54.545 54.000 0.158 0.000 0.842 149 D CB 0.075 40.971 40.800 0.160 0.000 0.947 149 D HN 0.149 nan 8.370 nan 0.000 0.509 150 V N 1.787 121.806 119.914 0.175 0.000 2.525 150 V HA 0.322 4.346 4.120 -0.159 0.000 0.299 150 V C -0.868 175.306 176.094 0.133 0.000 1.034 150 V CA -0.829 61.553 62.300 0.136 0.000 0.863 150 V CB 2.286 34.116 31.823 0.011 0.000 0.999 150 V HN 0.022 nan 8.190 nan 0.000 0.423 151 I N 5.983 126.623 120.570 0.116 0.000 2.382 151 I HA 0.466 4.540 4.170 -0.159 0.000 0.286 151 I C -0.332 175.831 176.117 0.077 0.000 1.002 151 I CA -0.494 60.847 61.300 0.069 0.000 1.135 151 I CB 1.552 39.582 38.000 0.049 0.000 1.288 151 I HN 0.393 nan 8.210 nan 0.000 0.448 152 L N 6.509 127.762 121.223 0.051 0.000 2.282 152 L HA 0.605 4.850 4.340 -0.159 0.000 0.288 152 L C -0.341 176.550 176.870 0.034 0.000 1.033 152 L CA -0.851 54.021 54.840 0.054 0.000 0.807 152 L CB 1.858 43.937 42.059 0.032 0.000 1.209 152 L HN 0.208 nan 8.230 nan 0.000 0.423 153 V N 2.769 122.714 119.914 0.051 0.000 2.444 153 V HA 0.329 4.353 4.120 -0.159 0.000 0.294 153 V C -0.181 175.943 176.094 0.050 0.000 1.022 153 V CA -0.627 61.700 62.300 0.044 0.000 0.850 153 V CB 1.871 33.730 31.823 0.059 0.000 0.992 153 V HN 0.747 nan 8.190 nan 0.000 0.426 154 E N 2.932 123.150 120.200 0.029 0.000 2.179 154 E HA 0.484 4.738 4.350 -0.159 0.000 0.275 154 E C -0.124 176.501 176.600 0.040 0.000 0.945 154 E CA -0.571 55.843 56.400 0.023 0.000 0.792 154 E CB 1.646 31.347 29.700 0.002 0.000 1.125 154 E HN 0.814 nan 8.360 nan 0.000 0.397 155 T N 0.358 114.946 114.554 0.057 0.000 2.901 155 T HA 0.355 4.610 4.350 -0.159 0.000 0.301 155 T C -0.007 174.714 174.700 0.035 0.000 1.012 155 T CA -0.683 61.457 62.100 0.067 0.000 1.135 155 T CB 0.951 69.879 68.868 0.100 0.000 0.936 155 T HN 0.136 nan 8.240 nan 0.000 0.539 156 V N 3.109 123.040 119.914 0.029 0.000 2.735 156 V HA 0.791 4.815 4.120 -0.159 0.000 0.310 156 V C 0.956 177.060 176.094 0.017 0.000 1.061 156 V CA 0.335 62.644 62.300 0.015 0.000 0.913 156 V CB 1.138 32.963 31.823 0.004 0.000 1.005 156 V HN 1.579 nan 8.190 nan 0.000 0.428 157 G N 2.853 111.660 108.800 0.012 0.000 2.698 157 G HA2 0.008 3.872 3.960 -0.159 0.000 0.233 157 G HA3 0.008 3.872 3.960 -0.159 0.000 0.233 157 G C -0.247 174.664 174.900 0.019 0.000 1.352 157 G CA -0.181 44.927 45.100 0.013 0.000 0.879 157 G HN 1.897 nan 8.290 nan 0.000 0.567 158 V N -1.274 118.650 119.914 0.017 0.000 2.785 158 V HA 0.937 4.961 4.120 -0.159 0.000 0.300 158 V C 1.075 177.183 176.094 0.023 0.000 1.062 158 V CA 0.698 63.010 62.300 0.021 0.000 1.029 158 V CB 0.890 32.724 31.823 0.017 0.000 1.024 158 V HN 2.999 nan 8.190 nan 0.000 0.477 159 G N 2.684 111.500 108.800 0.027 0.000 2.428 159 G HA2 0.097 3.962 3.960 -0.159 0.000 0.681 159 G HA3 0.097 3.962 3.960 -0.159 0.000 0.681 159 G C -0.981 173.942 174.900 0.038 0.000 1.340 159 G CA -0.604 44.514 45.100 0.029 0.000 0.915 159 G HN 0.983 nan 8.290 nan 0.000 0.645 160 Q N 0.745 120.567 119.800 0.037 0.000 2.810 160 Q HA 0.355 4.599 4.340 -0.159 0.000 0.236 160 Q C 1.295 177.324 176.000 0.048 0.000 1.278 160 Q CA 0.252 56.080 55.803 0.042 0.000 1.065 160 Q CB 0.615 29.371 28.738 0.031 0.000 1.364 160 Q HN 1.045 nan 8.270 nan 0.000 0.570 161 S N -0.887 114.851 115.700 0.064 0.000 2.577 161 S HA 0.055 4.430 4.470 -0.159 0.000 0.219 161 S C 0.962 175.619 174.600 0.095 0.000 0.962 161 S CA -0.147 58.099 58.200 0.077 0.000 0.921 161 S CB 0.367 63.612 63.200 0.075 0.000 0.789 161 S HN 0.255 nan 8.310 nan 0.000 0.497 162 E N 2.060 122.316 120.200 0.093 0.000 2.051 162 E HA -0.073 4.181 4.350 -0.159 0.000 0.192 162 E C 1.938 178.458 176.600 -0.134 0.000 0.991 162 E CA 1.932 58.391 56.400 0.099 0.000 0.799 162 E CB -0.777 29.008 29.700 0.141 0.000 0.748 162 E HN 0.527 nan 8.360 nan 0.000 0.449 163 T N 0.537 115.026 114.554 -0.107 0.000 2.746 163 T HA -0.167 4.088 4.350 -0.159 0.000 0.267 163 T C 1.939 176.605 174.700 -0.057 0.000 1.039 163 T CA 1.258 63.268 62.100 -0.151 0.000 1.142 163 T CB -0.376 68.436 68.868 -0.093 0.000 0.866 163 T HN 0.295 nan 8.240 nan 0.000 0.444 164 A N 1.004 123.865 122.820 0.067 0.000 1.877 164 A HA -0.066 4.158 4.320 -0.159 0.000 0.216 164 A C 2.588 180.323 177.584 0.252 0.000 1.186 164 A CA 1.506 53.697 52.037 0.256 0.000 0.620 164 A CB -1.045 18.103 19.000 0.246 0.000 0.822 164 A HN 0.356 nan 8.150 nan 0.000 0.443 165 V N -0.148 119.858 119.914 0.153 0.000 2.427 165 V HA -0.216 3.809 4.120 -0.159 0.000 0.248 165 V C 3.041 179.238 176.094 0.170 0.000 1.051 165 V CA 1.801 64.220 62.300 0.199 0.000 1.048 165 V CB -1.242 30.759 31.823 0.297 0.000 0.666 165 V HN 0.622 nan 8.190 nan 0.000 0.456 166 A N -0.089 122.651 122.820 -0.133 0.000 1.908 166 A HA -0.254 3.971 4.320 -0.159 0.000 0.218 166 A C 1.867 179.433 177.584 -0.029 0.000 1.181 166 A CA 2.074 53.935 52.037 -0.294 0.000 0.627 166 A CB -0.558 17.984 19.000 -0.764 0.000 0.818 166 A HN 0.529 nan 8.150 nan 0.000 0.445 167 D N -0.683 119.748 120.400 0.052 0.000 2.363 167 D HA 0.080 4.624 4.640 -0.159 0.000 0.226 167 D C 1.310 177.875 176.300 0.442 0.000 1.020 167 D CA 0.430 54.519 54.000 0.147 0.000 0.892 167 D CB 0.081 40.882 40.800 0.001 0.000 0.900 167 D HN 0.450 nan 8.370 nan 0.000 0.531 168 L N -0.211 121.230 121.223 0.363 0.000 2.616 168 L HA 0.123 4.368 4.340 -0.159 0.000 0.229 168 L C 0.772 177.745 176.870 0.172 0.000 1.110 168 L CA 0.313 55.312 54.840 0.266 0.000 0.884 168 L CB 0.299 42.420 42.059 0.104 0.000 1.115 168 L HN -0.013 nan 8.230 nan 0.000 0.481 169 T N -6.708 107.947 114.554 0.170 0.000 2.865 169 T HA 0.289 4.544 4.350 -0.159 0.000 0.294 169 T C 0.106 174.881 174.700 0.126 0.000 1.119 169 T CA -0.762 61.425 62.100 0.146 0.000 1.007 169 T CB 1.940 70.915 68.868 0.180 0.000 1.225 169 T HN -0.200 nan 8.240 nan 0.000 0.515 170 D N -0.724 119.749 120.400 0.121 0.000 2.271 170 D HA 0.206 4.751 4.640 -0.159 0.000 0.206 170 D C -0.264 176.095 176.300 0.099 0.000 0.967 170 D CA 0.873 54.946 54.000 0.121 0.000 0.867 170 D CB 0.257 41.132 40.800 0.125 0.000 0.960 170 D HN 0.418 nan 8.370 nan 0.000 0.509 171 F N 0.310 120.190 119.950 -0.116 0.000 2.574 171 F HA 0.398 4.828 4.527 -0.162 0.000 0.313 171 F C -1.851 173.918 175.800 -0.050 0.000 1.130 171 F CA -1.376 56.445 58.000 -0.298 0.000 0.936 171 F CB 1.739 40.436 39.000 -0.506 0.000 1.219 171 F HN -0.348 nan 8.300 nan 0.000 0.445 172 F N 7.894 127.596 119.950 -0.413 0.000 2.403 172 F HA 0.601 5.030 4.527 -0.163 0.000 0.355 172 F C -1.727 173.994 175.800 -0.132 0.000 1.119 172 F CA -1.045 56.860 58.000 -0.158 0.000 1.007 172 F CB 1.162 40.064 39.000 -0.164 0.000 1.194 172 F HN 0.396 nan 8.300 nan 0.000 0.443 173 L N 7.377 128.401 121.223 -0.331 0.000 2.282 173 L HA 0.666 4.910 4.340 -0.159 0.000 0.288 173 L C -1.383 175.241 176.870 -0.411 0.000 1.033 173 L CA -0.450 54.289 54.840 -0.168 0.000 0.807 173 L CB 1.360 43.449 42.059 0.049 0.000 1.209 173 L HN 0.350 nan 8.230 nan 0.000 0.423 174 V N 6.709 126.485 119.914 -0.230 0.000 2.347 174 V HA 0.398 4.422 4.120 -0.159 0.000 0.280 174 V C 0.466 176.494 176.094 -0.110 0.000 1.021 174 V CA -0.543 61.638 62.300 -0.197 0.000 0.847 174 V CB 1.112 32.871 31.823 -0.107 0.000 0.990 174 V HN 0.702 nan 8.190 nan 0.000 0.444 178 P HA 0.037 nan 4.420 nan 0.000 0.245 178 P C 0.642 177.981 177.300 0.065 0.000 1.212 178 P CA 0.206 63.356 63.100 0.083 0.000 0.774 178 P CB 0.247 31.982 31.700 0.059 0.000 0.999 179 G N 0.645 109.483 108.800 0.063 0.000 2.414 179 G HA2 0.354 4.218 3.960 -0.159 0.000 0.236 179 G HA3 0.354 4.218 3.960 -0.159 0.000 0.236 179 G C -0.165 174.740 174.900 0.009 0.000 1.293 179 G CA 0.242 45.364 45.100 0.037 0.000 0.869 179 G HN 0.432 nan 8.290 nan 0.000 0.556 180 A N 1.003 123.811 122.820 -0.020 0.000 2.485 180 A HA 0.979 5.204 4.320 -0.159 0.000 0.292 180 A C 1.024 178.576 177.584 -0.054 0.000 1.147 180 A CA 0.514 52.513 52.037 -0.064 0.000 0.750 180 A CB 0.878 19.838 19.000 -0.067 0.000 1.331 180 A HN 2.538 nan 8.150 nan 0.000 0.419 181 G N 0.521 109.277 108.800 -0.074 0.000 2.665 181 G HA2 -0.365 3.500 3.960 -0.159 0.000 0.326 181 G HA3 -0.365 3.500 3.960 -0.159 0.000 0.326 181 G C 0.541 175.418 174.900 -0.039 0.000 1.231 181 G CA 1.140 46.207 45.100 -0.055 0.000 0.992 181 G HN 0.791 nan 8.290 nan 0.000 0.549 182 D N 1.477 121.863 120.400 -0.024 0.000 2.309 182 D HA 0.096 4.640 4.640 -0.159 0.000 0.212 182 D C 2.154 178.450 176.300 -0.005 0.000 0.968 182 D CA 1.488 55.480 54.000 -0.013 0.000 0.882 182 D CB -0.072 40.723 40.800 -0.009 0.000 0.918 182 D HN 0.571 nan 8.370 nan 0.000 0.503 183 E N -0.336 119.860 120.200 -0.007 0.000 2.501 183 E HA 0.140 4.394 4.350 -0.159 0.000 0.201 183 E C 0.096 176.704 176.600 0.014 0.000 1.016 183 E CA -0.369 56.035 56.400 0.006 0.000 0.920 183 E CB 0.298 30.003 29.700 0.008 0.000 1.023 183 E HN 0.088 nan 8.360 nan 0.000 0.474 184 L N 1.725 122.945 121.223 -0.005 0.000 2.540 184 L HA -0.072 4.173 4.340 -0.159 0.000 0.276 184 L C 1.558 178.473 176.870 0.076 0.000 1.212 184 L CA 0.683 55.523 54.840 0.001 0.000 0.893 184 L CB 0.765 42.776 42.059 -0.080 0.000 1.138 184 L HN 0.131 nan 8.230 nan 0.000 0.491 185 Q N 4.431 124.327 119.800 0.160 0.000 2.050 185 Q HA 0.061 4.305 4.340 -0.159 0.000 0.202 185 Q C 0.714 176.808 176.000 0.158 0.000 0.980 185 Q CA 0.960 56.855 55.803 0.155 0.000 0.840 185 Q CB -0.060 28.776 28.738 0.164 0.000 0.898 185 Q HN 1.016 nan 8.270 nan 0.000 0.424 186 G N 0.209 109.165 108.800 0.260 0.000 2.721 186 G HA2 -0.198 3.667 3.960 -0.159 0.000 0.686 186 G HA3 -0.198 3.667 3.960 -0.159 0.000 0.686 186 G C -0.738 174.250 174.900 0.147 0.000 1.236 186 G CA -0.244 44.986 45.100 0.216 0.000 0.786 186 G HN 0.346 nan 8.290 nan 0.000 0.616 187 I N 1.830 122.479 120.570 0.131 0.000 2.304 187 I HA 0.262 4.336 4.170 -0.159 0.000 0.291 187 I C 1.017 177.185 176.117 0.084 0.000 1.018 187 I CA -0.637 60.712 61.300 0.081 0.000 1.260 187 I CB 1.391 39.454 38.000 0.104 0.000 1.390 187 I HN 0.637 nan 8.210 nan 0.000 0.475 188 K N 6.783 127.226 120.400 0.072 0.000 2.469 188 K HA 0.012 4.236 4.320 -0.159 0.000 0.274 188 K C 0.346 176.990 176.600 0.073 0.000 0.983 188 K CA -0.313 56.013 56.287 0.065 0.000 0.974 188 K CB 0.589 33.124 32.500 0.059 0.000 0.913 188 K HN 0.486 nan 8.250 nan 0.000 0.493 189 K N 2.264 122.699 120.400 0.059 0.000 2.466 189 K HA -0.109 4.116 4.320 -0.159 0.000 0.278 189 K C 0.540 177.175 176.600 0.058 0.000 1.048 189 K CA 1.265 57.587 56.287 0.058 0.000 1.088 189 K CB -0.258 32.267 32.500 0.041 0.000 0.884 189 K HN 0.869 nan 8.250 nan 0.000 0.478 190 G N 4.086 112.930 108.800 0.073 0.000 2.234 190 G HA2 -0.225 3.640 3.960 -0.159 0.000 0.235 190 G HA3 -0.225 3.640 3.960 -0.159 0.000 0.235 190 G C 0.643 175.571 174.900 0.047 0.000 0.997 190 G CA 0.125 45.255 45.100 0.049 0.000 0.623 190 G HN 0.559 nan 8.290 nan 0.000 0.514 191 I N 0.881 121.503 120.570 0.087 0.000 2.406 191 I HA 0.129 4.203 4.170 -0.159 0.000 0.249 191 I C 2.335 178.518 176.117 0.110 0.000 1.122 191 I CA 1.318 62.681 61.300 0.105 0.000 1.431 191 I CB -1.466 36.613 38.000 0.133 0.000 1.087 191 I HN 0.342 nan 8.210 nan 0.000 0.424 192 F N 2.939 122.910 119.950 0.036 0.000 2.095 192 F HA -0.274 4.148 4.527 -0.175 0.000 0.298 192 F C 2.518 178.337 175.800 0.032 0.000 1.104 192 F CA 2.163 60.184 58.000 0.036 0.000 1.232 192 F CB -0.314 38.708 39.000 0.036 0.000 0.987 192 F HN 0.281 nan 8.300 nan 0.000 0.475 193 E N 0.639 120.711 120.200 -0.214 0.000 2.265 193 E HA -0.200 4.054 4.350 -0.159 0.000 0.196 193 E C 1.925 178.346 176.600 -0.297 0.000 0.996 193 E CA 1.622 57.817 56.400 -0.340 0.000 0.832 193 E CB -0.668 28.990 29.700 -0.070 0.000 0.756 193 E HN 0.594 nan 8.360 nan 0.000 0.491 194 L N 0.745 121.842 121.223 -0.211 0.000 2.270 194 L HA 0.170 4.414 4.340 -0.159 0.000 0.210 194 L C 1.336 178.166 176.870 -0.065 0.000 1.104 194 L CA 0.094 54.801 54.840 -0.220 0.000 0.804 194 L CB -0.170 41.652 42.059 -0.395 0.000 0.937 194 L HN 0.110 nan 8.230 nan 0.000 0.450 195 A N 0.672 123.466 122.820 -0.043 0.000 2.451 195 A HA 0.186 4.411 4.320 -0.159 0.000 0.266 195 A C -0.260 177.260 177.584 -0.107 0.000 1.119 195 A CA -0.298 51.754 52.037 0.025 0.000 0.786 195 A CB -0.039 18.965 19.000 0.007 0.000 1.061 195 A HN 0.114 nan 8.150 nan 0.000 0.503 199 A N 6.185 129.022 122.820 0.028 0.000 2.291 199 A HA 0.787 5.011 4.320 -0.159 0.000 0.311 199 A C -0.704 176.902 177.584 0.036 0.000 1.224 199 A CA -0.524 51.542 52.037 0.048 0.000 0.821 199 A CB 1.138 20.169 19.000 0.052 0.000 1.172 199 A HN 0.378 nan 8.150 nan 0.000 0.494 200 V N 3.773 123.727 119.914 0.066 0.000 2.408 200 V HA 0.160 4.184 4.120 -0.159 0.000 0.267 200 V C 0.445 176.577 176.094 0.064 0.000 1.047 200 V CA -0.392 61.956 62.300 0.080 0.000 0.937 200 V CB 0.574 32.476 31.823 0.131 0.000 0.999 200 V HN 0.933 nan 8.190 nan 0.000 0.472 201 N N 3.373 122.103 118.700 0.051 0.000 2.476 201 N HA 0.383 5.028 4.740 -0.159 0.000 0.276 201 N C 0.261 175.798 175.510 0.045 0.000 1.204 201 N CA -0.580 52.495 53.050 0.042 0.000 0.974 201 N CB 0.759 39.261 38.487 0.025 0.000 1.204 201 N HN 0.596 nan 8.380 nan 0.000 0.543 202 K N -1.796 118.629 120.400 0.042 0.000 3.339 202 K HA -0.160 4.064 4.320 -0.159 0.000 0.299 202 K C -0.250 176.387 176.600 0.061 0.000 1.270 202 K CA 0.550 56.865 56.287 0.046 0.000 0.875 202 K CB -1.993 30.529 32.500 0.037 0.000 1.298 202 K HN 0.613 nan 8.250 nan 0.000 0.485 211 R N 1.685 122.192 120.500 0.012 0.000 2.148 211 R HA 0.216 4.460 4.340 -0.159 0.000 0.223 211 R C 1.826 178.136 176.300 0.017 0.000 1.088 211 R CA 1.481 57.586 56.100 0.009 0.000 0.985 211 R CB -0.172 30.134 30.300 0.010 0.000 0.880 211 R HN 0.258 nan 8.270 nan 0.000 0.451 212 A N 2.178 125.017 122.820 0.031 0.000 1.877 212 A HA -0.193 4.032 4.320 -0.159 0.000 0.216 212 A C 2.390 180.002 177.584 0.046 0.000 1.186 212 A CA 1.870 53.937 52.037 0.049 0.000 0.620 212 A CB -0.678 18.354 19.000 0.054 0.000 0.822 212 A HN 0.595 nan 8.150 nan 0.000 0.443 213 S N 0.183 115.902 115.700 0.031 0.000 2.402 213 S HA 0.058 4.433 4.470 -0.159 0.000 0.229 213 S C 2.064 176.666 174.600 0.003 0.000 1.021 213 S CA 1.280 59.494 58.200 0.023 0.000 0.974 213 S CB -0.644 62.566 63.200 0.017 0.000 0.800 213 S HN 0.869 nan 8.310 nan 0.000 0.484 214 A N 2.391 125.206 122.820 -0.009 0.000 1.877 214 A HA 0.285 4.510 4.320 -0.159 0.000 0.216 214 A C 2.587 180.128 177.584 -0.072 0.000 1.186 214 A CA 1.815 53.830 52.037 -0.036 0.000 0.620 214 A CB -1.574 17.405 19.000 -0.035 0.000 0.822 214 A HN 0.847 nan 8.150 nan 0.000 0.443 215 A N -0.063 122.720 122.820 -0.062 0.000 1.883 215 A HA 0.114 4.339 4.320 -0.159 0.000 0.217 215 A C 2.545 180.061 177.584 -0.115 0.000 1.186 215 A CA 2.362 54.314 52.037 -0.141 0.000 0.624 215 A CB -1.189 17.812 19.000 0.001 0.000 0.822 215 A HN 1.155 nan 8.150 nan 0.000 0.444 216 A N -0.799 122.058 122.820 0.063 0.000 1.892 216 A HA -0.191 4.034 4.320 -0.159 0.000 0.218 216 A C 2.501 180.107 177.584 0.038 0.000 1.188 216 A CA 2.436 54.550 52.037 0.129 0.000 0.631 216 A CB -1.121 17.938 19.000 0.099 0.000 0.822 216 A HN 0.577 nan 8.150 nan 0.000 0.447 217 S N -0.761 114.922 115.700 -0.029 0.000 2.370 217 S HA -0.204 4.171 4.470 -0.159 0.000 0.226 217 S C 1.938 176.478 174.600 -0.100 0.000 1.033 217 S CA 1.711 59.873 58.200 -0.062 0.000 1.011 217 S CB -0.380 62.784 63.200 -0.059 0.000 0.852 217 S HN 0.669 nan 8.310 nan 0.000 0.457 218 E N -0.642 119.460 120.200 -0.163 0.000 2.051 218 E HA -0.153 4.101 4.350 -0.159 0.000 0.192 218 E C 1.958 178.447 176.600 -0.184 0.000 0.991 218 E CA 1.551 57.817 56.400 -0.224 0.000 0.799 218 E CB -0.305 29.181 29.700 -0.356 0.000 0.748 218 E HN 0.634 nan 8.360 nan 0.000 0.449 219 Y N 0.815 121.104 120.300 -0.018 0.000 2.181 219 Y HA -0.178 4.273 4.550 -0.166 0.000 0.288 219 Y C 2.481 178.370 175.900 -0.019 0.000 1.146 219 Y CA 1.163 59.264 58.100 0.002 0.000 1.164 219 Y CB -0.527 37.953 38.460 0.032 0.000 0.982 219 Y HN -0.042 nan 8.280 nan 0.000 0.515 220 R N 0.220 120.762 120.500 0.069 0.000 2.073 220 R HA -0.176 4.069 4.340 -0.159 0.000 0.234 220 R C 2.385 178.513 176.300 -0.287 0.000 1.134 220 R CA 1.325 57.357 56.100 -0.114 0.000 0.952 220 R CB -0.442 29.749 30.300 -0.182 0.000 0.850 220 R HN 0.327 nan 8.270 nan 0.000 0.433 221 A N 0.565 123.270 122.820 -0.193 0.000 1.902 221 A HA -0.111 4.114 4.320 -0.159 0.000 0.217 221 A C 2.327 179.884 177.584 -0.046 0.000 1.181 221 A CA 1.735 53.682 52.037 -0.150 0.000 0.623 221 A CB -0.764 18.177 19.000 -0.098 0.000 0.818 221 A HN 0.537 nan 8.150 nan 0.000 0.443 222 A N -0.780 122.028 122.820 -0.019 0.000 1.898 222 A HA 0.030 4.254 4.320 -0.159 0.000 0.216 222 A C 2.005 179.608 177.584 0.031 0.000 1.181 222 A CA 1.601 53.635 52.037 -0.006 0.000 0.620 222 A CB -0.581 18.413 19.000 -0.009 0.000 0.819 222 A HN 0.390 nan 8.150 nan 0.000 0.442 223 L N -0.347 120.952 121.223 0.126 0.000 2.079 223 L HA -0.207 4.038 4.340 -0.159 0.000 0.210 223 L C 2.331 179.394 176.870 0.322 0.000 1.081 223 L CA 1.958 56.968 54.840 0.284 0.000 0.752 223 L CB -0.978 41.293 42.059 0.353 0.000 0.896 223 L HN 0.556 nan 8.230 nan 0.000 0.433 224 H N -1.630 117.481 119.070 0.067 0.000 2.428 224 H HA -0.051 4.495 4.556 -0.018 0.000 0.296 224 H C 2.308 177.653 175.328 0.028 0.000 1.062 224 H CA 1.095 57.167 56.048 0.040 0.000 1.350 224 H CB 0.208 29.981 29.762 0.018 0.000 1.403 224 H HN 0.300 nan 8.280 nan 0.000 0.533 225 I N 0.744 121.394 120.570 0.134 0.000 2.252 225 I HA -0.255 3.819 4.170 -0.159 0.000 0.245 225 I C 1.982 178.120 176.117 0.035 0.000 1.102 225 I CA 1.101 62.433 61.300 0.054 0.000 1.385 225 I CB -0.041 37.965 38.000 0.010 0.000 1.064 225 I HN 0.183 nan 8.210 nan 0.000 0.414 226 L N -0.398 120.838 121.223 0.022 0.000 2.270 226 L HA 0.019 4.264 4.340 -0.159 0.000 0.210 226 L C 0.689 177.686 176.870 0.211 0.000 1.104 226 L CA 0.423 55.259 54.840 -0.007 0.000 0.804 226 L CB -0.536 41.269 42.059 -0.423 0.000 0.937 226 L HN 0.110 nan 8.230 nan 0.000 0.450 227 T N 1.871 116.573 114.554 0.248 0.000 2.761 227 T HA 0.247 4.501 4.350 -0.159 0.000 0.296 227 T C -2.191 172.564 174.700 0.093 0.000 0.934 227 T CA -1.053 61.170 62.100 0.204 0.000 1.091 227 T CB 0.813 69.767 68.868 0.144 0.000 0.896 227 T HN -0.094 nan 8.240 nan 0.000 0.515 228 P HA 0.108 nan 4.420 nan 0.000 0.266 228 P C -1.583 175.726 177.300 0.015 0.000 1.195 228 P CA -1.261 61.864 63.100 0.042 0.000 0.768 228 P CB 0.147 31.872 31.700 0.041 0.000 0.838 229 P HA -0.111 nan 4.420 nan 0.000 0.230 229 P C 0.972 178.266 177.300 -0.009 0.000 1.158 229 P CA 1.006 64.097 63.100 -0.015 0.000 0.769 229 P CB -0.065 31.626 31.700 -0.014 0.000 0.807 230 S N -0.773 114.929 115.700 0.003 0.000 2.489 230 S HA 0.176 4.551 4.470 -0.159 0.000 0.228 230 S C 1.253 175.861 174.600 0.013 0.000 0.995 230 S CA 0.006 58.210 58.200 0.007 0.000 0.934 230 S CB -0.932 62.273 63.200 0.009 0.000 0.771 230 S HN 0.204 nan 8.310 nan 0.000 0.522 231 A N 1.758 124.588 122.820 0.018 0.000 2.546 231 A HA 0.365 4.589 4.320 -0.159 0.000 0.243 231 A C 1.381 178.993 177.584 0.047 0.000 1.063 231 A CA 0.307 52.366 52.037 0.036 0.000 0.757 231 A CB -0.226 18.799 19.000 0.041 0.000 0.991 231 A HN 0.381 nan 8.150 nan 0.000 0.503 232 T N 2.302 116.901 114.554 0.076 0.000 2.788 232 T HA -0.069 4.185 4.350 -0.159 0.000 0.268 232 T C 0.392 175.210 174.700 0.197 0.000 1.044 232 T CA 1.281 63.441 62.100 0.101 0.000 1.139 232 T CB -0.039 68.876 68.868 0.079 0.000 0.867 232 T HN 0.683 nan 8.240 nan 0.000 0.454 233 W N 1.918 123.208 121.300 -0.016 0.000 2.683 233 W HA 0.391 4.985 4.660 -0.110 0.000 0.329 233 W C -1.527 174.999 176.519 0.011 0.000 1.037 233 W CA -0.643 56.712 57.345 0.017 0.000 1.232 233 W CB 1.634 31.135 29.460 0.068 0.000 1.390 233 W HN -0.204 nan 8.180 nan 0.000 0.465 234 T N 7.274 121.528 114.554 -0.501 0.000 2.756 234 T HA 0.253 4.508 4.350 -0.159 0.000 0.290 234 T C -2.451 171.872 174.700 -0.627 0.000 0.985 234 T CA -1.222 60.631 62.100 -0.411 0.000 0.955 234 T CB 1.359 70.012 68.868 -0.359 0.000 0.930 234 T HN 0.119 nan 8.240 nan 0.000 0.451 235 P HA 0.196 nan 4.420 nan 0.000 0.262 235 P C -2.411 174.871 177.300 -0.031 0.000 1.199 235 P CA -1.030 62.034 63.100 -0.061 0.000 0.763 235 P CB -0.378 31.368 31.700 0.077 0.000 0.790 236 P HA 0.054 nan 4.420 nan 0.000 0.269 236 P C -0.730 176.641 177.300 0.119 0.000 1.215 236 P CA 0.208 63.345 63.100 0.062 0.000 0.780 236 P CB 0.499 32.267 31.700 0.113 0.000 0.898 237 V N 3.239 123.215 119.914 0.105 0.000 2.444 237 V HA 0.467 4.492 4.120 -0.159 0.000 0.294 237 V C 0.315 176.466 176.094 0.094 0.000 1.022 237 V CA -0.578 61.787 62.300 0.108 0.000 0.850 237 V CB 1.582 33.477 31.823 0.119 0.000 0.992 237 V HN 0.449 nan 8.190 nan 0.000 0.426 238 V N 1.778 121.750 119.914 0.097 0.000 3.074 238 V HA 0.959 4.983 4.120 -0.159 0.000 0.314 238 V C -0.074 176.069 176.094 0.081 0.000 1.117 238 V CA -0.545 61.805 62.300 0.085 0.000 1.014 238 V CB 2.276 34.153 31.823 0.088 0.000 1.057 238 V HN 0.877 nan 8.190 nan 0.000 0.438 239 T N 0.965 115.561 114.554 0.071 0.000 2.888 239 T HA 0.856 5.110 4.350 -0.159 0.000 0.284 239 T C -0.343 174.395 174.700 0.064 0.000 1.017 239 T CA -0.378 61.762 62.100 0.068 0.000 1.022 239 T CB 1.434 70.339 68.868 0.061 0.000 1.013 239 T HN 1.546 nan 8.240 nan 0.000 0.465 240 I N -1.638 118.969 120.570 0.061 0.000 3.191 240 I HA 0.845 4.919 4.170 -0.159 0.000 0.313 240 I C -0.807 175.346 176.117 0.060 0.000 1.193 240 I CA -1.160 60.176 61.300 0.060 0.000 0.968 240 I CB 2.374 40.407 38.000 0.056 0.000 1.262 240 I HN 0.664 nan 8.210 nan 0.000 0.456 241 S N 1.290 117.029 115.700 0.065 0.000 2.774 241 S HA 0.550 4.925 4.470 -0.159 0.000 0.297 241 S C 0.695 175.317 174.600 0.036 0.000 1.143 241 S CA -0.015 58.225 58.200 0.067 0.000 1.090 241 S CB 1.004 64.284 63.200 0.134 0.000 1.019 241 S HN 1.060 nan 8.310 nan 0.000 0.482 242 G N 3.806 112.608 108.800 0.004 0.000 2.446 242 G HA2 -0.154 3.710 3.960 -0.159 0.000 0.217 242 G HA3 -0.154 3.710 3.960 -0.159 0.000 0.217 242 G C 1.236 176.101 174.900 -0.059 0.000 1.168 242 G CA 1.092 46.181 45.100 -0.018 0.000 0.771 242 G HN 0.673 nan 8.290 nan 0.000 0.551 243 L N 0.153 121.299 121.223 -0.128 0.000 2.042 243 L HA -0.051 4.194 4.340 -0.159 0.000 0.210 243 L C 2.229 178.899 176.870 -0.332 0.000 1.076 243 L CA 2.051 56.724 54.840 -0.278 0.000 0.749 243 L CB -0.486 41.311 42.059 -0.437 0.000 0.893 243 L HN 0.439 nan 8.230 nan 0.000 0.432 244 H N -1.415 117.660 119.070 0.008 0.000 2.594 244 H HA 0.400 4.860 4.556 -0.160 0.000 0.279 244 H C 1.376 176.709 175.328 0.009 0.000 1.042 244 H CA 0.350 56.403 56.048 0.008 0.000 1.177 244 H CB 0.229 29.997 29.762 0.010 0.000 1.524 244 H HN 0.388 nan 8.280 nan 0.000 0.537 245 G N 1.232 110.076 108.800 0.075 0.000 2.166 245 G HA2 -0.356 3.508 3.960 -0.159 0.000 0.260 245 G HA3 -0.356 3.508 3.960 -0.159 0.000 0.260 245 G C 0.061 174.997 174.900 0.060 0.000 0.986 245 G CA 0.122 45.252 45.100 0.051 0.000 0.683 245 G HN 0.243 nan 8.290 nan 0.000 0.527 246 K N -0.190 120.257 120.400 0.078 0.000 2.249 246 K HA 0.532 4.756 4.320 -0.159 0.000 0.280 246 K C 1.420 178.057 176.600 0.062 0.000 1.033 246 K CA 0.990 57.318 56.287 0.068 0.000 0.946 246 K CB 1.003 33.547 32.500 0.073 0.000 1.005 246 K HN 1.206 nan 8.250 nan 0.000 0.469 247 G N 1.841 110.677 108.800 0.059 0.000 2.179 247 G HA2 -0.282 3.582 3.960 -0.159 0.000 0.260 247 G HA3 -0.282 3.582 3.960 -0.159 0.000 0.260 247 G C 0.715 175.659 174.900 0.073 0.000 0.977 247 G CA 0.474 45.612 45.100 0.064 0.000 0.641 247 G HN 0.531 nan 8.290 nan 0.000 0.533 248 L N -0.181 121.084 121.223 0.070 0.000 2.109 248 L HA 0.039 4.284 4.340 -0.159 0.000 0.207 248 L C 2.530 179.468 176.870 0.114 0.000 1.086 248 L CA 1.395 56.283 54.840 0.080 0.000 0.760 248 L CB -0.403 41.685 42.059 0.049 0.000 0.910 248 L HN 0.193 nan 8.230 nan 0.000 0.437 249 D N -0.090 120.369 120.400 0.097 0.000 2.104 249 D HA -0.212 4.333 4.640 -0.159 0.000 0.194 249 D C 2.357 178.742 176.300 0.142 0.000 0.994 249 D CA 1.808 55.879 54.000 0.120 0.000 0.830 249 D CB 0.212 41.062 40.800 0.084 0.000 0.959 249 D HN 0.189 nan 8.370 nan 0.000 0.452 250 S N -0.076 115.688 115.700 0.106 0.000 2.356 250 S HA -0.155 4.220 4.470 -0.159 0.000 0.223 250 S C 2.345 177.003 174.600 0.097 0.000 1.032 250 S CA 1.195 59.451 58.200 0.093 0.000 1.005 250 S CB -0.597 62.649 63.200 0.077 0.000 0.867 250 S HN 0.394 nan 8.310 nan 0.000 0.449 251 L N 0.568 121.854 121.223 0.106 0.000 1.990 251 L HA -0.129 4.115 4.340 -0.159 0.000 0.213 251 L C 2.479 179.387 176.870 0.065 0.000 1.072 251 L CA 2.223 57.120 54.840 0.095 0.000 0.755 251 L CB -0.541 41.584 42.059 0.109 0.000 0.889 251 L HN 0.638 nan 8.230 nan 0.000 0.432 252 W N 0.517 121.781 121.300 -0.061 0.000 2.363 252 W HA -0.259 4.309 4.660 -0.154 0.000 0.296 252 W C 2.824 179.287 176.519 -0.094 0.000 1.212 252 W CA 1.883 59.163 57.345 -0.108 0.000 1.260 252 W CB -0.288 29.121 29.460 -0.086 0.000 1.131 252 W HN 0.558 nan 8.180 nan 0.000 0.530 253 S N 0.921 116.630 115.700 0.016 0.000 2.400 253 S HA -0.210 4.165 4.470 -0.159 0.000 0.232 253 S C 1.764 176.303 174.600 -0.102 0.000 1.025 253 S CA 1.025 59.204 58.200 -0.035 0.000 0.993 253 S CB -0.475 62.761 63.200 0.060 0.000 0.808 253 S HN 0.140 nan 8.310 nan 0.000 0.478 254 R N 1.250 121.710 120.500 -0.067 0.000 2.115 254 R HA 0.273 4.517 4.340 -0.159 0.000 0.226 254 R C 2.247 178.456 176.300 -0.152 0.000 1.100 254 R CA 0.984 57.123 56.100 0.064 0.000 0.980 254 R CB -1.208 29.218 30.300 0.210 0.000 0.875 254 R HN 0.550 nan 8.270 nan 0.000 0.445 255 I N 0.952 121.144 120.570 -0.630 0.000 2.226 255 I HA -0.233 3.841 4.170 -0.159 0.000 0.245 255 I C 1.933 177.601 176.117 -0.748 0.000 1.100 255 I CA 1.354 61.970 61.300 -1.139 0.000 1.374 255 I CB -0.280 36.743 38.000 -1.628 0.000 1.057 255 I HN 0.206 nan 8.210 nan 0.000 0.413 256 E N 0.689 120.508 120.200 -0.635 0.000 2.106 256 E HA -0.208 4.046 4.350 -0.159 0.000 0.192 256 E C 1.643 178.143 176.600 -0.166 0.000 0.984 256 E CA 1.057 57.245 56.400 -0.353 0.000 0.806 256 E CB -0.070 29.484 29.700 -0.243 0.000 0.750 256 E HN 0.457 nan 8.360 nan 0.000 0.458 257 D N 0.080 120.428 120.400 -0.087 0.000 2.097 257 D HA -0.182 4.362 4.640 -0.159 0.000 0.195 257 D C 1.850 178.163 176.300 0.022 0.000 0.989 257 D CA 0.997 55.039 54.000 0.071 0.000 0.827 257 D CB -0.368 40.593 40.800 0.268 0.000 0.966 257 D HN 0.277 nan 8.370 nan 0.000 0.456 258 H N 1.371 120.210 119.070 -0.386 0.000 2.319 258 H HA -0.085 4.373 4.556 -0.163 0.000 0.299 258 H C 2.206 177.325 175.328 -0.349 0.000 1.092 258 H CA 1.754 57.344 56.048 -0.762 0.000 1.302 258 H CB 0.106 29.240 29.762 -1.046 0.000 1.373 258 H HN 0.037 nan 8.280 nan 0.000 0.497 259 R N 0.036 120.455 120.500 -0.136 0.000 2.083 259 R HA -0.128 4.117 4.340 -0.159 0.000 0.237 259 R C 2.805 179.037 176.300 -0.113 0.000 1.137 259 R CA 1.609 57.645 56.100 -0.106 0.000 0.951 259 R CB -0.311 29.935 30.300 -0.091 0.000 0.851 259 R HN 0.182 nan 8.270 nan 0.000 0.434 260 S N 0.078 115.729 115.700 -0.083 0.000 2.348 260 S HA -0.130 4.245 4.470 -0.159 0.000 0.221 260 S C 1.720 176.294 174.600 -0.044 0.000 1.033 260 S CA 1.451 59.626 58.200 -0.041 0.000 1.010 260 S CB -0.034 63.161 63.200 -0.007 0.000 0.891 260 S HN 0.358 nan 8.310 nan 0.000 0.442 261 K N 0.051 120.425 120.400 -0.043 0.000 2.026 261 K HA -0.024 4.201 4.320 -0.159 0.000 0.208 261 K C 1.906 178.459 176.600 -0.078 0.000 1.048 261 K CA 1.210 57.488 56.287 -0.015 0.000 0.929 261 K CB -0.303 32.249 32.500 0.087 0.000 0.713 261 K HN 0.271 nan 8.250 nan 0.000 0.439 262 L N 0.632 121.734 121.223 -0.202 0.000 2.418 262 L HA -0.046 4.199 4.340 -0.159 0.000 0.218 262 L C 2.109 178.902 176.870 -0.128 0.000 1.125 262 L CA 1.312 56.023 54.840 -0.215 0.000 0.835 262 L CB -0.263 41.537 42.059 -0.432 0.000 0.953 262 L HN 0.118 nan 8.230 nan 0.000 0.454 263 T N -0.709 113.785 114.554 -0.100 0.000 2.812 263 T HA -0.100 4.154 4.350 -0.159 0.000 0.264 263 T C 2.052 176.731 174.700 -0.036 0.000 1.042 263 T CA 1.154 63.221 62.100 -0.054 0.000 1.140 263 T CB -0.152 68.692 68.868 -0.040 0.000 0.870 263 T HN 0.392 nan 8.240 nan 0.000 0.445 264 A N 1.766 124.567 122.820 -0.033 0.000 1.940 264 A HA -0.132 4.092 4.320 -0.159 0.000 0.219 264 A C 2.493 180.067 177.584 -0.016 0.000 1.176 264 A CA 2.180 54.207 52.037 -0.017 0.000 0.631 264 A CB -1.067 17.928 19.000 -0.009 0.000 0.814 264 A HN 0.616 nan 8.150 nan 0.000 0.446 265 T N -4.509 110.031 114.554 -0.024 0.000 3.100 265 T HA 0.387 4.641 4.350 -0.159 0.000 0.253 265 T C 1.437 176.125 174.700 -0.020 0.000 1.118 265 T CA 1.060 63.149 62.100 -0.019 0.000 1.058 265 T CB -0.009 68.847 68.868 -0.020 0.000 0.953 265 T HN 1.713 nan 8.240 nan 0.000 0.515 266 G N 1.374 110.159 108.800 -0.024 0.000 2.162 266 G HA2 -0.308 3.556 3.960 -0.159 0.000 0.260 266 G HA3 -0.308 3.556 3.960 -0.159 0.000 0.260 266 G C 0.636 175.522 174.900 -0.024 0.000 0.976 266 G CA 0.502 45.590 45.100 -0.019 0.000 0.655 266 G HN 0.571 nan 8.290 nan 0.000 0.533 267 E N -0.446 119.731 120.200 -0.038 0.000 2.152 267 E HA 0.010 4.265 4.350 -0.159 0.000 0.192 267 E C 2.490 179.066 176.600 -0.039 0.000 0.983 267 E CA 0.810 57.185 56.400 -0.041 0.000 0.818 267 E CB -0.054 29.611 29.700 -0.059 0.000 0.758 267 E HN 0.527 nan 8.360 nan 0.000 0.467 268 I N 1.284 121.824 120.570 -0.051 0.000 2.127 268 I HA -0.269 3.806 4.170 -0.159 0.000 0.241 268 I C 2.534 178.652 176.117 0.002 0.000 1.075 268 I CA 1.345 62.632 61.300 -0.021 0.000 1.334 268 I CB -1.437 36.548 38.000 -0.025 0.000 1.040 268 I HN 0.041 nan 8.210 nan 0.000 0.405 269 A N 0.907 123.726 122.820 -0.002 0.000 1.902 269 A HA -0.113 4.112 4.320 -0.159 0.000 0.217 269 A C 2.511 180.100 177.584 0.009 0.000 1.181 269 A CA 1.961 54.002 52.037 0.007 0.000 0.623 269 A CB -1.365 17.637 19.000 0.003 0.000 0.818 269 A HN 0.454 nan 8.150 nan 0.000 0.443 270 G N -0.477 108.324 108.800 0.001 0.000 2.418 270 G HA2 -0.264 3.600 3.960 -0.159 0.000 0.217 270 G HA3 -0.264 3.600 3.960 -0.159 0.000 0.217 270 G C 1.659 176.561 174.900 0.004 0.000 1.158 270 G CA 1.197 46.298 45.100 0.002 0.000 0.771 270 G HN 0.574 nan 8.290 nan 0.000 0.545 271 K N 0.409 120.812 120.400 0.005 0.000 2.057 271 K HA -0.069 4.156 4.320 -0.159 0.000 0.207 271 K C 2.705 179.320 176.600 0.025 0.000 1.049 271 K CA 0.888 57.180 56.287 0.009 0.000 0.931 271 K CB -0.177 32.332 32.500 0.014 0.000 0.714 271 K HN 0.199 nan 8.250 nan 0.000 0.440 272 R N 0.188 120.710 120.500 0.037 0.000 2.091 272 R HA -0.101 4.143 4.340 -0.159 0.000 0.238 272 R C 2.528 178.861 176.300 0.055 0.000 1.136 272 R CA 1.502 57.637 56.100 0.058 0.000 0.959 272 R CB -0.237 30.096 30.300 0.055 0.000 0.856 272 R HN 0.216 nan 8.270 nan 0.000 0.437 273 R N 0.793 121.314 120.500 0.035 0.000 2.083 273 R HA -0.153 4.091 4.340 -0.159 0.000 0.237 273 R C 2.180 178.495 176.300 0.025 0.000 1.137 273 R CA 1.641 57.758 56.100 0.030 0.000 0.951 273 R CB -0.205 30.107 30.300 0.020 0.000 0.851 273 R HN 0.395 nan 8.270 nan 0.000 0.434 274 E N 0.589 120.796 120.200 0.011 0.000 2.077 274 E HA -0.220 4.034 4.350 -0.159 0.000 0.193 274 E C 2.182 178.760 176.600 -0.038 0.000 0.989 274 E CA 1.097 57.491 56.400 -0.009 0.000 0.800 274 E CB -0.017 29.669 29.700 -0.024 0.000 0.746 274 E HN 0.413 nan 8.360 nan 0.000 0.452 275 Q N 0.624 120.411 119.800 -0.022 0.000 2.050 275 Q HA -0.189 4.056 4.340 -0.159 0.000 0.202 275 Q C 1.808 177.816 176.000 0.012 0.000 0.980 275 Q CA 1.384 57.157 55.803 -0.051 0.000 0.840 275 Q CB -0.026 28.783 28.738 0.118 0.000 0.898 275 Q HN 0.227 nan 8.270 nan 0.000 0.424 276 D N -0.129 120.347 120.400 0.125 0.000 2.144 276 D HA -0.112 4.433 4.640 -0.159 0.000 0.199 276 D C 1.945 178.298 176.300 0.089 0.000 0.984 276 D CA 0.823 54.929 54.000 0.177 0.000 0.834 276 D CB -0.068 40.800 40.800 0.114 0.000 0.955 276 D HN 0.041 nan 8.370 nan 0.000 0.465 277 V N 1.050 120.984 119.914 0.033 0.000 2.427 277 V HA -0.202 3.822 4.120 -0.159 0.000 0.248 277 V C 2.440 178.566 176.094 0.054 0.000 1.051 277 V CA 1.395 63.711 62.300 0.027 0.000 1.048 277 V CB -0.400 31.469 31.823 0.077 0.000 0.666 277 V HN 0.194 nan 8.190 nan 0.000 0.456 278 K N -0.681 119.691 120.400 -0.046 0.000 2.032 278 K HA -0.198 4.027 4.320 -0.159 0.000 0.209 278 K C 0.941 177.418 176.600 -0.206 0.000 1.048 278 K CA 1.153 57.333 56.287 -0.179 0.000 0.927 278 K CB -0.175 32.052 32.500 -0.455 0.000 0.712 278 K HN 0.484 nan 8.250 nan 0.000 0.441 282 A N 0.967 123.854 122.820 0.113 0.000 1.892 282 A HA -0.192 4.033 4.320 -0.159 0.000 0.218 282 A C 1.680 179.356 177.584 0.154 0.000 1.188 282 A CA 2.020 54.156 52.037 0.165 0.000 0.631 282 A CB -0.907 18.251 19.000 0.263 0.000 0.822 282 A HN 0.299 nan 8.150 nan 0.000 0.447 283 L N -0.728 120.566 121.223 0.118 0.000 2.093 283 L HA -0.137 4.108 4.340 -0.159 0.000 0.208 283 L C 2.520 179.423 176.870 0.054 0.000 1.085 283 L CA 0.833 55.722 54.840 0.081 0.000 0.755 283 L CB -0.445 41.641 42.059 0.046 0.000 0.904 283 L HN 0.260 nan 8.230 nan 0.000 0.435 284 V N -0.550 119.364 119.914 0.000 0.000 2.295 284 V HA -0.328 3.697 4.120 -0.159 0.000 0.246 284 V C 2.248 178.435 176.094 0.154 0.000 1.049 284 V CA 1.980 64.298 62.300 0.029 0.000 1.024 284 V CB -0.772 31.053 31.823 0.004 0.000 0.648 284 V HN 0.503 nan 8.190 nan 0.000 0.447 285 H N -0.487 118.693 119.070 0.183 0.000 2.389 285 H HA -0.145 4.316 4.556 -0.160 0.000 0.299 285 H C 2.422 177.831 175.328 0.135 0.000 1.081 285 H CA 1.259 57.398 56.048 0.151 0.000 1.345 285 H CB 0.209 30.051 29.762 0.134 0.000 1.393 285 H HN 0.528 nan 8.280 nan 0.000 0.520 286 E N 1.469 121.811 120.200 0.236 0.000 2.077 286 E HA -0.236 4.018 4.350 -0.159 0.000 0.193 286 E C 2.312 179.012 176.600 0.166 0.000 0.989 286 E CA 0.830 57.337 56.400 0.178 0.000 0.800 286 E CB 0.100 29.880 29.700 0.134 0.000 0.746 286 E HN 0.185 nan 8.360 nan 0.000 0.452 287 R N 0.679 121.260 120.500 0.135 0.000 2.081 287 R HA -0.136 4.108 4.340 -0.159 0.000 0.235 287 R C 2.391 178.757 176.300 0.110 0.000 1.131 287 R CA 1.252 57.413 56.100 0.102 0.000 0.960 287 R CB -0.895 29.449 30.300 0.073 0.000 0.856 287 R HN 0.333 nan 8.270 nan 0.000 0.436 288 L N 0.345 121.655 121.223 0.145 0.000 2.012 288 L HA -0.192 4.053 4.340 -0.159 0.000 0.210 288 L C 2.295 179.231 176.870 0.110 0.000 1.073 288 L CA 2.230 57.146 54.840 0.126 0.000 0.748 288 L CB -1.043 41.112 42.059 0.160 0.000 0.891 288 L HN 0.434 nan 8.230 nan 0.000 0.431 289 H N -0.731 118.380 119.070 0.069 0.000 2.389 289 H HA -0.149 4.311 4.556 -0.159 0.000 0.299 289 H C 2.101 177.452 175.328 0.038 0.000 1.081 289 H CA 1.958 58.034 56.048 0.048 0.000 1.345 289 H CB 0.273 30.066 29.762 0.051 0.000 1.393 289 H HN 0.531 nan 8.280 nan 0.000 0.520 290 Q N 0.226 120.098 119.800 0.120 0.000 2.096 290 Q HA -0.159 4.085 4.340 -0.159 0.000 0.204 290 Q C 2.590 178.584 176.000 -0.010 0.000 0.982 290 Q CA 1.502 57.340 55.803 0.058 0.000 0.850 290 Q CB 0.017 28.797 28.738 0.071 0.000 0.901 290 Q HN 0.429 nan 8.270 nan 0.000 0.422 291 R N 0.133 120.630 120.500 -0.005 0.000 2.096 291 R HA -0.101 4.143 4.340 -0.159 0.000 0.235 291 R C 2.125 178.389 176.300 -0.059 0.000 1.127 291 R CA 1.023 57.111 56.100 -0.019 0.000 0.968 291 R CB -0.264 30.037 30.300 0.000 0.000 0.861 291 R HN 0.256 nan 8.270 nan 0.000 0.440 292 L N 0.799 121.954 121.223 -0.114 0.000 2.465 292 L HA -0.040 4.204 4.340 -0.159 0.000 0.224 292 L C 1.412 178.165 176.870 -0.195 0.000 1.145 292 L CA 0.448 55.189 54.840 -0.165 0.000 0.834 292 L CB 0.195 42.121 42.059 -0.221 0.000 0.944 292 L HN 0.131 nan 8.230 nan 0.000 0.451 293 V N -5.204 114.598 119.914 -0.187 0.000 3.070 293 V HA 0.411 4.436 4.120 -0.159 0.000 0.345 293 V C 1.472 177.535 176.094 -0.053 0.000 1.403 293 V CA 0.259 62.487 62.300 -0.120 0.000 1.155 293 V CB -0.070 31.682 31.823 -0.118 0.000 1.140 293 V HN 0.128 nan 8.190 nan 0.000 0.505 294 G N 1.327 110.100 108.800 -0.046 0.000 2.598 294 G HA2 0.236 4.100 3.960 -0.159 0.000 0.215 294 G HA3 0.236 4.100 3.960 -0.159 0.000 0.215 294 G C 0.592 175.481 174.900 -0.018 0.000 1.131 294 G CA 0.960 46.046 45.100 -0.024 0.000 0.785 294 G HN 0.987 nan 8.290 nan 0.000 0.539 295 S N -2.627 113.060 115.700 -0.022 0.000 2.607 295 S HA 0.672 5.046 4.470 -0.159 0.000 0.273 295 S C 0.908 175.498 174.600 -0.016 0.000 1.148 295 S CA 0.185 58.376 58.200 -0.016 0.000 0.833 295 S CB 1.456 64.647 63.200 -0.015 0.000 1.130 295 S HN 0.468 nan 8.310 nan 0.000 0.470 296 A N 0.987 123.801 122.820 -0.011 0.000 1.908 296 A HA -0.049 4.176 4.320 -0.159 0.000 0.218 296 A C 1.842 179.418 177.584 -0.012 0.000 1.181 296 A CA 1.854 53.885 52.037 -0.010 0.000 0.627 296 A CB -1.149 17.848 19.000 -0.006 0.000 0.818 296 A HN 0.925 nan 8.150 nan 0.000 0.445 297 E N -0.445 119.748 120.200 -0.013 0.000 2.106 297 E HA -0.094 4.160 4.350 -0.159 0.000 0.192 297 E C 1.972 178.560 176.600 -0.020 0.000 0.984 297 E CA 1.222 57.614 56.400 -0.014 0.000 0.806 297 E CB -0.217 29.476 29.700 -0.012 0.000 0.750 297 E HN 0.438 nan 8.360 nan 0.000 0.458 298 V N 1.175 121.074 119.914 -0.024 0.000 2.358 298 V HA -0.228 3.796 4.120 -0.159 0.000 0.246 298 V C 2.400 178.468 176.094 -0.043 0.000 1.047 298 V CA 1.760 64.040 62.300 -0.034 0.000 1.035 298 V CB -0.537 31.263 31.823 -0.038 0.000 0.658 298 V HN 0.187 nan 8.190 nan 0.000 0.452 299 R N 0.176 120.651 120.500 -0.041 0.000 2.083 299 R HA -0.287 3.957 4.340 -0.159 0.000 0.237 299 R C 2.452 178.737 176.300 -0.026 0.000 1.137 299 R CA 2.267 58.343 56.100 -0.041 0.000 0.951 299 R CB -0.305 29.980 30.300 -0.025 0.000 0.851 299 R HN 0.526 nan 8.270 nan 0.000 0.434 300 Q N 0.350 120.139 119.800 -0.018 0.000 2.112 300 Q HA -0.150 4.094 4.340 -0.159 0.000 0.206 300 Q C 1.777 177.767 176.000 -0.015 0.000 0.987 300 Q CA 2.431 58.227 55.803 -0.012 0.000 0.858 300 Q CB -0.380 28.352 28.738 -0.009 0.000 0.905 300 Q HN 0.449 nan 8.270 nan 0.000 0.420 301 A N -0.884 121.922 122.820 -0.022 0.000 1.873 301 A HA -0.139 4.086 4.320 -0.159 0.000 0.215 301 A C 2.324 179.891 177.584 -0.028 0.000 1.186 301 A CA 1.865 53.887 52.037 -0.026 0.000 0.616 301 A CB -1.043 17.940 19.000 -0.029 0.000 0.823 301 A HN 0.502 nan 8.150 nan 0.000 0.442 302 T N 0.521 115.054 114.554 -0.036 0.000 2.720 302 T HA -0.073 4.181 4.350 -0.159 0.000 0.268 302 T C 2.199 176.893 174.700 -0.010 0.000 1.037 302 T CA 1.664 63.742 62.100 -0.037 0.000 1.144 302 T CB -0.475 68.346 68.868 -0.079 0.000 0.864 302 T HN 0.595 nan 8.240 nan 0.000 0.444 303 A N 1.497 124.315 122.820 -0.004 0.000 1.902 303 A HA -0.155 4.069 4.320 -0.159 0.000 0.217 303 A C 2.204 179.794 177.584 0.009 0.000 1.181 303 A CA 1.732 53.777 52.037 0.013 0.000 0.623 303 A CB -0.565 18.442 19.000 0.013 0.000 0.818 303 A HN 0.578 nan 8.150 nan 0.000 0.443 304 E N -0.308 119.890 120.200 -0.002 0.000 2.077 304 E HA -0.120 4.135 4.350 -0.159 0.000 0.193 304 E C 2.353 178.947 176.600 -0.009 0.000 0.989 304 E CA 0.998 57.395 56.400 -0.005 0.000 0.800 304 E CB -0.299 29.392 29.700 -0.015 0.000 0.746 304 E HN 0.626 nan 8.360 nan 0.000 0.452 305 A N 1.291 124.100 122.820 -0.018 0.000 1.877 305 A HA -0.279 3.946 4.320 -0.159 0.000 0.216 305 A C 2.078 179.664 177.584 0.003 0.000 1.186 305 A CA 1.821 53.844 52.037 -0.023 0.000 0.620 305 A CB -0.511 18.474 19.000 -0.026 0.000 0.822 305 A HN 0.268 nan 8.150 nan 0.000 0.443 306 E N -0.728 119.481 120.200 0.015 0.000 2.072 306 E HA -0.199 4.055 4.350 -0.159 0.000 0.191 306 E C 2.257 178.874 176.600 0.029 0.000 0.985 306 E CA 1.025 57.441 56.400 0.027 0.000 0.801 306 E CB -0.089 29.636 29.700 0.041 0.000 0.750 306 E HN 0.535 nan 8.360 nan 0.000 0.452 307 R N -0.077 120.440 120.500 0.028 0.000 2.105 307 R HA -0.130 4.115 4.340 -0.159 0.000 0.239 307 R C 2.220 178.546 176.300 0.043 0.000 1.135 307 R CA 1.377 57.496 56.100 0.031 0.000 0.967 307 R CB -0.269 30.047 30.300 0.027 0.000 0.861 307 R HN 0.228 nan 8.270 nan 0.000 0.442 308 A N -0.285 122.568 122.820 0.054 0.000 1.902 308 A HA -0.120 4.104 4.320 -0.159 0.000 0.217 308 A C 2.200 179.845 177.584 0.102 0.000 1.181 308 A CA 1.648 53.750 52.037 0.108 0.000 0.623 308 A CB -0.427 18.645 19.000 0.119 0.000 0.818 308 A HN 0.201 nan 8.150 nan 0.000 0.443 309 V N -0.387 119.569 119.914 0.069 0.000 2.346 309 V HA -0.143 3.881 4.120 -0.159 0.000 0.244 309 V C 3.038 179.154 176.094 0.036 0.000 1.037 309 V CA 1.666 63.999 62.300 0.054 0.000 1.029 309 V CB -1.233 30.613 31.823 0.039 0.000 0.663 309 V HN 0.589 nan 8.190 nan 0.000 0.454 310 A N 0.720 123.558 122.820 0.030 0.000 1.940 310 A HA -0.126 4.099 4.320 -0.159 0.000 0.219 310 A C 2.257 179.853 177.584 0.020 0.000 1.176 310 A CA 1.973 54.023 52.037 0.022 0.000 0.631 310 A CB -1.037 17.976 19.000 0.021 0.000 0.814 310 A HN 0.568 nan 8.150 nan 0.000 0.446 311 G N -1.984 106.831 108.800 0.026 0.000 2.920 311 G HA2 0.343 4.207 3.960 -0.159 0.000 0.208 311 G HA3 0.343 4.207 3.960 -0.159 0.000 0.208 311 G C 1.176 176.083 174.900 0.012 0.000 1.159 311 G CA 0.532 45.644 45.100 0.020 0.000 0.784 311 G HN 1.650 nan 8.290 nan 0.000 0.535 312 G N 0.294 109.102 108.800 0.013 0.000 2.198 312 G HA2 -0.250 3.615 3.960 -0.159 0.000 0.260 312 G HA3 -0.250 3.615 3.960 -0.159 0.000 0.260 312 G C 0.935 175.820 174.900 -0.026 0.000 1.025 312 G CA 0.629 45.728 45.100 -0.002 0.000 0.769 312 G HN 0.456 nan 8.290 nan 0.000 0.507 313 E N -0.472 119.719 120.200 -0.014 0.000 2.190 313 E HA 0.069 4.323 4.350 -0.159 0.000 0.191 313 E C 0.858 177.270 176.600 -0.312 0.000 0.978 313 E CA 0.858 57.198 56.400 -0.100 0.000 0.839 313 E CB 0.317 30.024 29.700 0.012 0.000 0.787 313 E HN 0.772 nan 8.360 nan 0.000 0.473 314 H N -0.434 118.635 119.070 -0.001 0.000 2.928 314 H HA 0.230 4.690 4.556 -0.159 0.000 0.371 314 H C -0.068 175.259 175.328 -0.003 0.000 1.186 314 H CA -0.585 55.462 56.048 -0.002 0.000 1.134 314 H CB 1.892 31.653 29.762 -0.002 0.000 1.824 314 H HN -0.020 nan 8.280 nan 0.000 0.554 315 S N 1.365 117.136 115.700 0.117 0.000 2.584 315 S HA 0.069 4.444 4.470 -0.159 0.000 0.270 315 S C -1.786 172.847 174.600 0.055 0.000 1.346 315 S CA -0.893 57.342 58.200 0.059 0.000 1.018 315 S CB 1.386 64.612 63.200 0.043 0.000 0.899 315 S HN 0.363 nan 8.310 nan 0.000 0.542 316 P HA -0.109 nan 4.420 nan 0.000 0.215 316 P C 1.603 178.911 177.300 0.014 0.000 1.157 316 P CA 2.078 65.189 63.100 0.019 0.000 0.874 316 P CB -0.274 31.430 31.700 0.006 0.000 0.790 317 A N -0.299 122.528 122.820 0.012 0.000 1.969 317 A HA -0.078 4.147 4.320 -0.159 0.000 0.218 317 A C 2.304 179.893 177.584 0.008 0.000 1.169 317 A CA 1.898 53.938 52.037 0.006 0.000 0.635 317 A CB -1.534 17.468 19.000 0.004 0.000 0.810 317 A HN 0.196 nan 8.150 nan 0.000 0.445 318 A N -0.337 122.497 122.820 0.023 0.000 1.933 318 A HA 0.104 4.328 4.320 -0.159 0.000 0.218 318 A C 2.386 179.959 177.584 -0.020 0.000 1.175 318 A CA 1.918 53.963 52.037 0.013 0.000 0.628 318 A CB -1.333 17.706 19.000 0.065 0.000 0.814 318 A HN 0.695 nan 8.150 nan 0.000 0.444 319 G N -0.505 108.294 108.800 -0.002 0.000 2.421 319 G HA2 -0.001 3.864 3.960 -0.159 0.000 0.216 319 G HA3 -0.001 3.864 3.960 -0.159 0.000 0.216 319 G C 1.760 176.650 174.900 -0.017 0.000 1.171 319 G CA 1.451 46.543 45.100 -0.014 0.000 0.775 319 G HN 0.804 nan 8.290 nan 0.000 0.543 320 A N 1.022 123.836 122.820 -0.010 0.000 1.902 320 A HA -0.057 4.167 4.320 -0.159 0.000 0.217 320 A C 2.095 179.669 177.584 -0.016 0.000 1.181 320 A CA 2.139 54.168 52.037 -0.012 0.000 0.623 320 A CB -0.423 18.570 19.000 -0.013 0.000 0.818 320 A HN 0.280 nan 8.150 nan 0.000 0.443 321 D N 0.075 120.465 120.400 -0.017 0.000 2.144 321 D HA -0.043 4.502 4.640 -0.159 0.000 0.199 321 D C 2.232 178.516 176.300 -0.028 0.000 0.984 321 D CA 1.447 55.435 54.000 -0.020 0.000 0.834 321 D CB -0.423 40.366 40.800 -0.018 0.000 0.955 321 D HN 0.423 nan 8.370 nan 0.000 0.465 322 A N 1.097 123.894 122.820 -0.039 0.000 1.877 322 A HA -0.167 4.058 4.320 -0.159 0.000 0.216 322 A C 2.151 179.715 177.584 -0.033 0.000 1.186 322 A CA 0.927 52.937 52.037 -0.046 0.000 0.620 322 A CB -0.540 18.421 19.000 -0.065 0.000 0.822 322 A HN 0.119 nan 8.150 nan 0.000 0.443 323 I N 0.124 120.678 120.570 -0.027 0.000 2.208 323 I HA -0.265 3.810 4.170 -0.159 0.000 0.245 323 I C 2.936 179.043 176.117 -0.017 0.000 1.097 323 I CA 1.435 62.722 61.300 -0.021 0.000 1.363 323 I CB -1.667 36.325 38.000 -0.014 0.000 1.051 323 I HN 0.375 nan 8.210 nan 0.000 0.413 324 A N 0.329 123.140 122.820 -0.014 0.000 1.908 324 A HA -0.213 4.011 4.320 -0.159 0.000 0.218 324 A C 2.433 180.010 177.584 -0.011 0.000 1.181 324 A CA 2.448 54.479 52.037 -0.010 0.000 0.627 324 A CB -1.100 17.895 19.000 -0.009 0.000 0.818 324 A HN 0.422 nan 8.150 nan 0.000 0.445 325 T N 0.574 115.118 114.554 -0.016 0.000 2.720 325 T HA -0.120 4.134 4.350 -0.159 0.000 0.268 325 T C 1.808 176.499 174.700 -0.016 0.000 1.037 325 T CA 1.560 63.651 62.100 -0.016 0.000 1.144 325 T CB -0.418 68.437 68.868 -0.021 0.000 0.864 325 T HN 0.391 nan 8.240 nan 0.000 0.444 326 L N 0.200 121.411 121.223 -0.020 0.000 2.017 326 L HA -0.048 4.197 4.340 -0.159 0.000 0.208 326 L C 2.506 179.367 176.870 -0.016 0.000 1.073 326 L CA 1.241 56.068 54.840 -0.021 0.000 0.745 326 L CB -0.630 41.412 42.059 -0.028 0.000 0.894 326 L HN 0.249 nan 8.230 nan 0.000 0.432 327 I N 0.046 120.609 120.570 -0.012 0.000 2.151 327 I HA -0.274 3.800 4.170 -0.159 0.000 0.243 327 I C 2.639 178.755 176.117 -0.002 0.000 1.080 327 I CA 1.602 62.899 61.300 -0.004 0.000 1.339 327 I CB -0.897 37.105 38.000 0.003 0.000 1.039 327 I HN 0.318 nan 8.210 nan 0.000 0.409 328 G N 1.141 109.940 108.800 -0.003 0.000 2.446 328 G HA2 -0.157 3.707 3.960 -0.159 0.000 0.217 328 G HA3 -0.157 3.707 3.960 -0.159 0.000 0.217 328 G C 0.865 175.763 174.900 -0.003 0.000 1.168 328 G CA 0.350 45.449 45.100 -0.002 0.000 0.771 328 G HN 0.033 nan 8.290 nan 0.000 0.551 329 L N 0.000 121.219 121.223 -0.006 0.000 2.949 329 L HA 0.000 4.244 4.340 -0.159 0.000 0.249 329 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 329 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 329 L HN 0.000 nan 8.230 nan 0.000 0.502