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 1m34_1_J DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.623 174.600 0.039 0.000 1.055 2 S CA 0.000 58.224 58.200 0.039 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 Q N 1.191 121.001 119.800 0.017 0.000 2.345 3 Q HA 0.429 4.768 4.340 -0.000 0.000 0.275 3 Q C -1.557 174.441 176.000 -0.004 0.000 1.063 3 Q CA -0.877 54.927 55.803 0.001 0.000 0.819 3 Q CB 2.160 30.898 28.738 -0.001 0.000 1.356 3 Q HN 0.542 nan 8.270 nan 0.000 0.418 4 Q N 1.700 121.493 119.800 -0.011 0.000 2.340 4 Q HA 0.163 4.503 4.340 -0.000 0.000 0.259 4 Q C 0.821 176.814 176.000 -0.012 0.000 0.964 4 Q CA -0.232 55.565 55.803 -0.010 0.000 0.900 4 Q CB 1.985 30.715 28.738 -0.013 0.000 1.228 4 Q HN 0.548 nan 8.270 nan 0.000 0.449 5 V N 3.062 122.971 119.914 -0.008 0.000 2.660 5 V HA -0.255 3.865 4.120 -0.000 0.000 0.257 5 V C 1.406 177.494 176.094 -0.009 0.000 1.088 5 V CA 2.676 64.972 62.300 -0.007 0.000 1.106 5 V CB -0.097 31.723 31.823 -0.004 0.000 0.686 5 V HN 0.762 nan 8.190 nan 0.000 0.481 6 D N -0.714 119.680 120.400 -0.009 0.000 2.289 6 D HA -0.059 4.581 4.640 -0.000 0.000 0.207 6 D C 1.162 177.454 176.300 -0.013 0.000 0.966 6 D CA 0.333 54.328 54.000 -0.009 0.000 0.868 6 D CB 0.138 40.933 40.800 -0.008 0.000 0.943 6 D HN 0.431 nan 8.370 nan 0.000 0.514 7 K N 0.899 121.288 120.400 -0.018 0.000 3.050 7 K HA 0.317 4.637 4.320 -0.000 0.000 0.185 7 K C -1.071 175.509 176.600 -0.034 0.000 1.147 7 K CA -0.356 55.916 56.287 -0.025 0.000 0.916 7 K CB -0.004 32.480 32.500 -0.027 0.000 1.119 7 K HN -0.046 nan 8.250 nan 0.000 0.605 8 I N 2.754 123.304 120.570 -0.033 0.000 2.648 8 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 8 I C 0.324 176.403 176.117 -0.064 0.000 1.153 8 I CA 0.128 61.403 61.300 -0.042 0.000 1.426 8 I CB 0.692 38.673 38.000 -0.031 0.000 1.381 8 I HN 0.225 nan 8.210 nan 0.000 0.571 9 K N 5.653 126.000 120.400 -0.089 0.000 2.235 9 K HA 0.641 4.961 4.320 -0.000 0.000 0.266 9 K C -0.319 176.182 176.600 -0.165 0.000 0.980 9 K CA -0.598 55.607 56.287 -0.137 0.000 0.849 9 K CB 1.902 34.299 32.500 -0.172 0.000 1.098 9 K HN 0.696 nan 8.250 nan 0.000 0.445 10 A N 1.423 124.155 122.820 -0.147 0.000 2.259 10 A HA 0.155 4.475 4.320 -0.000 0.000 0.278 10 A C 1.562 178.995 177.584 -0.251 0.000 1.107 10 A CA 0.207 52.158 52.037 -0.143 0.000 0.828 10 A CB 0.290 19.256 19.000 -0.057 0.000 1.111 10 A HN 0.892 nan 8.150 nan 0.000 0.498 11 S N -0.392 115.155 115.700 -0.256 0.000 2.390 11 S HA -0.363 4.107 4.470 -0.000 0.000 0.234 11 S C 1.803 176.250 174.600 -0.255 0.000 1.063 11 S CA 2.501 60.458 58.200 -0.405 0.000 1.108 11 S CB -1.122 62.109 63.200 0.052 0.000 0.975 11 S HN 1.215 nan 8.310 nan 0.000 0.442 12 Y N 4.590 124.814 120.300 -0.126 0.000 2.030 12 Y HA 0.004 4.554 4.550 -0.000 0.000 0.274 12 Y C -0.618 175.230 175.900 -0.086 0.000 1.153 12 Y CA 1.483 59.550 58.100 -0.055 0.000 1.115 12 Y CB -1.905 36.542 38.460 -0.023 0.000 0.969 12 Y HN 0.273 nan 8.280 nan 0.000 0.488 13 P HA -0.166 nan 4.420 nan 0.000 0.214 13 P C 2.025 179.090 177.300 -0.391 0.000 1.162 13 P CA 1.629 64.290 63.100 -0.731 0.000 0.879 13 P CB -0.307 31.071 31.700 -0.538 0.000 0.786 14 L N -0.848 120.130 121.223 -0.407 0.000 2.030 14 L HA -0.228 4.112 4.340 -0.000 0.000 0.222 14 L C 1.943 178.552 176.870 -0.435 0.000 1.082 14 L CA 2.102 56.669 54.840 -0.456 0.000 0.785 14 L CB -1.504 40.131 42.059 -0.706 0.000 0.895 14 L HN -0.132 nan 8.230 nan 0.000 0.439 15 F N -0.900 118.902 119.950 -0.247 0.000 2.771 15 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 15 F C 1.930 177.719 175.800 -0.018 0.000 1.177 15 F CA 0.270 58.117 58.000 -0.255 0.000 1.450 15 F CB -0.795 38.062 39.000 -0.239 0.000 1.114 15 F HN 0.098 nan 8.300 nan 0.000 0.587 16 L N -1.023 120.260 121.223 0.100 0.000 2.558 16 L HA 0.042 4.382 4.340 -0.000 0.000 0.225 16 L C 0.248 177.184 176.870 0.110 0.000 1.128 16 L CA 0.035 54.935 54.840 0.101 0.000 0.868 16 L CB -0.446 41.632 42.059 0.032 0.000 1.006 16 L HN -0.134 nan 8.230 nan 0.000 0.454 17 D N 0.417 120.907 120.400 0.150 0.000 2.443 17 D HA -0.059 4.581 4.640 -0.000 0.000 0.239 17 D C 1.005 177.405 176.300 0.166 0.000 1.136 17 D CA 0.224 54.318 54.000 0.157 0.000 0.879 17 D CB 1.204 42.138 40.800 0.222 0.000 1.195 17 D HN -0.074 nan 8.370 nan 0.000 0.443 18 Q N 1.888 121.744 119.800 0.094 0.000 2.133 18 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 18 Q C 1.195 177.231 176.000 0.059 0.000 0.991 18 Q CA 2.117 57.962 55.803 0.069 0.000 0.867 18 Q CB -0.113 28.647 28.738 0.037 0.000 0.911 18 Q HN 0.608 nan 8.270 nan 0.000 0.417 19 D N -1.434 118.977 120.400 0.019 0.000 2.117 19 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 19 D C 1.542 177.807 176.300 -0.059 0.000 0.987 19 D CA 1.428 55.391 54.000 -0.062 0.000 0.829 19 D CB -0.963 39.739 40.800 -0.163 0.000 0.961 19 D HN 0.381 nan 8.370 nan 0.000 0.460 20 Y N 1.152 121.503 120.300 0.085 0.000 2.163 20 Y HA -0.018 4.532 4.550 -0.000 0.000 0.288 20 Y C 2.546 178.491 175.900 0.075 0.000 1.136 20 Y CA 1.177 59.344 58.100 0.112 0.000 1.147 20 Y CB -0.269 38.328 38.460 0.230 0.000 0.987 20 Y HN -0.084 nan 8.280 nan 0.000 0.509 21 K N -0.064 120.478 120.400 0.236 0.000 2.063 21 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 21 K C 1.632 178.287 176.600 0.092 0.000 1.048 21 K CA 1.756 58.128 56.287 0.142 0.000 0.928 21 K CB -0.235 32.334 32.500 0.113 0.000 0.713 21 K HN 0.283 nan 8.250 nan 0.000 0.442 22 D N 0.639 121.081 120.400 0.070 0.000 2.097 22 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 22 D C 1.796 178.122 176.300 0.043 0.000 0.989 22 D CA 1.108 55.133 54.000 0.041 0.000 0.827 22 D CB -0.157 40.655 40.800 0.020 0.000 0.966 22 D HN 0.201 nan 8.370 nan 0.000 0.456 23 M N 0.359 119.987 119.600 0.048 0.000 2.080 23 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 23 M C 2.082 178.424 176.300 0.070 0.000 1.068 23 M CA 1.350 56.682 55.300 0.054 0.000 1.109 23 M CB -0.141 32.489 32.600 0.050 0.000 1.342 23 M HN -0.031 nan 8.290 nan 0.000 0.405 24 L N 0.382 121.652 121.223 0.080 0.000 2.079 24 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 24 L C 2.810 179.708 176.870 0.048 0.000 1.081 24 L CA 1.223 56.097 54.840 0.057 0.000 0.752 24 L CB -1.009 41.079 42.059 0.048 0.000 0.896 24 L HN 0.457 nan 8.230 nan 0.000 0.433 25 A N 0.150 122.997 122.820 0.045 0.000 1.930 25 A HA -0.190 4.129 4.320 -0.000 0.000 0.217 25 A C 2.305 179.900 177.584 0.018 0.000 1.175 25 A CA 1.491 53.545 52.037 0.028 0.000 0.627 25 A CB -0.255 18.761 19.000 0.026 0.000 0.815 25 A HN 0.331 nan 8.150 nan 0.000 0.443 26 K N -0.219 120.199 120.400 0.029 0.000 2.097 26 K HA -0.116 4.203 4.320 -0.000 0.000 0.205 26 K C 2.150 178.778 176.600 0.047 0.000 1.050 26 K CA 1.449 57.748 56.287 0.020 0.000 0.938 26 K CB -0.116 32.410 32.500 0.043 0.000 0.718 26 K HN 0.526 nan 8.250 nan 0.000 0.442 27 K N 1.698 122.167 120.400 0.116 0.000 2.026 27 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 27 K C 2.301 178.990 176.600 0.148 0.000 1.048 27 K CA 1.255 57.676 56.287 0.224 0.000 0.929 27 K CB -0.019 32.574 32.500 0.154 0.000 0.713 27 K HN -0.009 nan 8.250 nan 0.000 0.439 28 R N 0.680 121.216 120.500 0.060 0.000 2.088 28 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 28 R C 1.542 177.821 176.300 -0.035 0.000 1.136 28 R CA 2.372 58.485 56.100 0.022 0.000 0.926 28 R CB -0.448 29.859 30.300 0.013 0.000 0.837 28 R HN 0.290 nan 8.270 nan 0.000 0.429 29 D N -0.884 119.476 120.400 -0.066 0.000 2.218 29 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 29 D C 1.661 177.823 176.300 -0.231 0.000 0.976 29 D CA 1.499 55.430 54.000 -0.115 0.000 0.853 29 D CB -0.293 40.452 40.800 -0.093 0.000 0.939 29 D HN 0.587 nan 8.370 nan 0.000 0.481 30 G N -0.763 107.802 108.800 -0.392 0.000 2.441 30 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.212 30 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.212 30 G C 0.936 175.214 174.900 -1.036 0.000 1.164 30 G CA 0.074 44.644 45.100 -0.884 0.000 0.811 30 G HN 0.262 nan 8.290 nan 0.000 0.535 31 F N -0.395 119.541 119.950 -0.023 0.000 2.871 31 F HA 0.384 4.911 4.527 -0.000 0.000 0.344 31 F C 1.978 177.760 175.800 -0.031 0.000 1.078 31 F CA -0.374 57.610 58.000 -0.026 0.000 1.149 31 F CB 0.577 39.564 39.000 -0.022 0.000 1.087 31 F HN 0.036 nan 8.300 nan 0.000 0.557 32 E N 1.041 121.301 120.200 0.099 0.000 2.299 32 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 32 E C 0.050 176.644 176.600 -0.010 0.000 0.998 32 E CA 0.422 56.852 56.400 0.050 0.000 0.851 32 E CB -0.126 29.598 29.700 0.040 0.000 0.795 32 E HN 0.332 nan 8.360 nan 0.000 0.492 33 E N 1.266 121.439 120.200 -0.044 0.000 2.228 33 E HA -0.244 4.106 4.350 -0.000 0.000 0.213 33 E C -0.434 176.082 176.600 -0.141 0.000 1.282 33 E CA 0.550 56.894 56.400 -0.094 0.000 0.707 33 E CB -1.395 28.252 29.700 -0.088 0.000 1.150 33 E HN 0.275 nan 8.360 nan 0.000 0.362 34 K N -0.637 119.703 120.400 -0.100 0.000 2.098 34 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 34 K C -0.365 176.161 176.600 -0.123 0.000 0.999 34 K CA -0.598 55.636 56.287 -0.089 0.000 0.924 34 K CB 0.568 33.070 32.500 0.003 0.000 1.028 34 K HN -0.040 nan 8.250 nan 0.000 0.466 35 Y N 1.449 121.752 120.300 0.005 0.000 2.610 35 Y HA 0.095 4.645 4.550 -0.000 0.000 0.332 35 Y C -1.809 174.095 175.900 0.006 0.000 1.201 35 Y CA -1.372 56.731 58.100 0.005 0.000 1.465 35 Y CB -0.037 38.430 38.460 0.012 0.000 1.283 35 Y HN 0.579 nan 8.280 nan 0.000 0.563 36 P HA -0.102 nan 4.420 nan 0.000 0.266 36 P C 0.329 177.688 177.300 0.099 0.000 1.193 36 P CA 0.077 63.230 63.100 0.089 0.000 0.770 36 P CB 0.725 32.468 31.700 0.073 0.000 0.836 37 Q N 2.208 122.049 119.800 0.068 0.000 2.181 37 Q HA -0.218 4.122 4.340 -0.000 0.000 0.205 37 Q C 1.165 177.202 176.000 0.061 0.000 0.980 37 Q CA 1.929 57.771 55.803 0.065 0.000 0.862 37 Q CB -0.670 28.097 28.738 0.049 0.000 0.905 37 Q HN 0.431 nan 8.270 nan 0.000 0.429 38 D N -0.387 120.043 120.400 0.050 0.000 2.123 38 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 38 D C 1.589 177.913 176.300 0.040 0.000 0.992 38 D CA 0.964 54.987 54.000 0.039 0.000 0.833 38 D CB 0.058 40.875 40.800 0.029 0.000 0.954 38 D HN 0.151 nan 8.370 nan 0.000 0.455 39 K N 1.008 121.438 120.400 0.050 0.000 2.057 39 K HA -0.030 4.290 4.320 -0.000 0.000 0.206 39 K C 2.333 178.947 176.600 0.022 0.000 1.050 39 K CA 0.317 56.620 56.287 0.027 0.000 0.935 39 K CB -0.403 32.135 32.500 0.063 0.000 0.715 39 K HN 0.247 nan 8.250 nan 0.000 0.439 40 I N 1.213 121.822 120.570 0.065 0.000 2.315 40 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 40 I C 1.625 177.820 176.117 0.130 0.000 1.117 40 I CA 1.143 62.496 61.300 0.087 0.000 1.404 40 I CB -0.193 37.868 38.000 0.103 0.000 1.071 40 I HN 0.078 nan 8.210 nan 0.000 0.419 41 D N 0.460 120.925 120.400 0.108 0.000 2.123 41 D HA -0.200 4.440 4.640 -0.000 0.000 0.200 41 D C 1.977 178.347 176.300 0.118 0.000 0.976 41 D CA 1.027 55.100 54.000 0.122 0.000 0.831 41 D CB -0.194 40.643 40.800 0.062 0.000 0.974 41 D HN 0.419 nan 8.370 nan 0.000 0.469 42 E N 0.795 121.033 120.200 0.063 0.000 2.058 42 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 42 E C 2.068 178.700 176.600 0.054 0.000 0.997 42 E CA 0.959 57.377 56.400 0.031 0.000 0.801 42 E CB 0.163 29.855 29.700 -0.013 0.000 0.746 42 E HN -0.012 nan 8.360 nan 0.000 0.450 43 V N 0.922 120.872 119.914 0.061 0.000 2.427 43 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 43 V C 2.072 178.249 176.094 0.139 0.000 1.051 43 V CA 1.701 64.075 62.300 0.123 0.000 1.048 43 V CB -0.678 31.185 31.823 0.067 0.000 0.666 43 V HN 0.339 nan 8.190 nan 0.000 0.456 44 F N 1.066 121.024 119.950 0.014 0.000 2.051 44 F HA -0.207 4.319 4.527 -0.000 0.000 0.296 44 F C 2.614 178.311 175.800 -0.171 0.000 1.122 44 F CA 1.908 59.880 58.000 -0.046 0.000 1.201 44 F CB -0.431 38.581 39.000 0.020 0.000 0.978 44 F HN 0.062 nan 8.300 nan 0.000 0.472 45 Q N -0.395 119.298 119.800 -0.178 0.000 2.133 45 Q HA -0.297 4.043 4.340 -0.000 0.000 0.208 45 Q C 2.043 177.827 176.000 -0.359 0.000 0.991 45 Q CA 2.220 57.832 55.803 -0.318 0.000 0.867 45 Q CB -1.406 27.273 28.738 -0.099 0.000 0.911 45 Q HN 0.735 nan 8.270 nan 0.000 0.417 46 W N 1.836 122.918 121.300 -0.364 0.000 2.335 46 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 46 W C 2.262 178.478 176.519 -0.504 0.000 1.213 46 W CA 2.911 60.072 57.345 -0.308 0.000 1.274 46 W CB -0.848 28.503 29.460 -0.181 0.000 1.148 46 W HN 0.269 nan 8.180 nan 0.000 0.498 47 T N -2.385 111.628 114.554 -0.901 0.000 3.077 47 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 47 T C 1.401 175.343 174.700 -1.264 0.000 1.146 47 T CA 1.775 62.887 62.100 -1.648 0.000 1.091 47 T CB -1.029 67.103 68.868 -1.226 0.000 0.892 47 T HN 0.307 nan 8.240 nan 0.000 0.533 48 T N -0.717 113.177 114.554 -1.101 0.000 3.069 48 T HA 0.220 4.570 4.350 -0.000 0.000 0.252 48 T C 0.867 175.222 174.700 -0.575 0.000 1.053 48 T CA 0.103 61.528 62.100 -1.126 0.000 0.964 48 T CB -0.211 67.704 68.868 -1.588 0.000 1.005 48 T HN 0.609 nan 8.240 nan 0.000 0.532 49 T N -0.646 113.644 114.554 -0.440 0.000 2.862 49 T HA 0.445 4.795 4.350 -0.000 0.000 0.276 49 T C 1.018 175.632 174.700 -0.142 0.000 0.974 49 T CA -0.943 61.016 62.100 -0.234 0.000 0.966 49 T CB 1.589 70.362 68.868 -0.159 0.000 1.072 49 T HN 0.003 nan 8.240 nan 0.000 0.538 50 K N 0.189 120.541 120.400 -0.080 0.000 2.155 50 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 50 K C 2.101 178.679 176.600 -0.037 0.000 1.052 50 K CA 1.169 57.425 56.287 -0.051 0.000 0.948 50 K CB -0.100 32.379 32.500 -0.035 0.000 0.728 50 K HN 0.628 nan 8.250 nan 0.000 0.448 51 E N 0.429 120.618 120.200 -0.018 0.000 2.051 51 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 51 E C 1.762 178.349 176.600 -0.022 0.000 0.991 51 E CA 1.231 57.647 56.400 0.027 0.000 0.799 51 E CB -0.408 29.365 29.700 0.123 0.000 0.748 51 E HN 0.333 nan 8.360 nan 0.000 0.449 52 Y N 1.286 121.388 120.300 -0.331 0.000 2.242 52 Y HA -0.216 4.334 4.550 -0.000 0.000 0.291 52 Y C 2.434 178.173 175.900 -0.267 0.000 1.137 52 Y CA 1.875 59.646 58.100 -0.548 0.000 1.181 52 Y CB 0.014 37.864 38.460 -1.016 0.000 0.989 52 Y HN 0.059 nan 8.280 nan 0.000 0.527 53 Q N 0.211 119.988 119.800 -0.038 0.000 2.170 53 Q HA -0.227 4.113 4.340 -0.000 0.000 0.203 53 Q C 1.807 177.854 176.000 0.078 0.000 0.976 53 Q CA 1.985 57.814 55.803 0.043 0.000 0.858 53 Q CB -0.078 28.669 28.738 0.014 0.000 0.907 53 Q HN 0.634 nan 8.270 nan 0.000 0.433 54 E N 0.062 120.257 120.200 -0.008 0.000 2.107 54 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 54 E C 2.078 178.692 176.600 0.023 0.000 0.982 54 E CA 0.938 57.350 56.400 0.020 0.000 0.809 54 E CB 0.035 29.734 29.700 -0.001 0.000 0.756 54 E HN 0.388 nan 8.360 nan 0.000 0.459 55 L N 1.202 122.378 121.223 -0.079 0.000 2.056 55 L HA -0.184 4.155 4.340 -0.000 0.000 0.207 55 L C 2.447 179.232 176.870 -0.142 0.000 1.078 55 L CA 0.844 55.612 54.840 -0.119 0.000 0.749 55 L CB -0.514 41.423 42.059 -0.203 0.000 0.901 55 L HN 0.169 nan 8.230 nan 0.000 0.433 56 N N 0.613 119.164 118.700 -0.248 0.000 2.104 56 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 56 N C 1.557 177.101 175.510 0.057 0.000 1.024 56 N CA 1.679 54.630 53.050 -0.165 0.000 0.853 56 N CB -0.219 38.164 38.487 -0.173 0.000 1.008 56 N HN 0.163 nan 8.380 nan 0.000 0.424 57 F N 0.696 120.671 119.950 0.041 0.000 2.802 57 F HA 0.177 4.704 4.527 -0.000 0.000 0.300 57 F C 1.824 177.650 175.800 0.044 0.000 1.168 57 F CA 0.406 58.446 58.000 0.066 0.000 1.433 57 F CB 0.110 39.099 39.000 -0.017 0.000 1.115 57 F HN 0.149 nan 8.300 nan 0.000 0.582 58 Q N -0.426 119.462 119.800 0.147 0.000 2.280 58 Q HA 0.113 4.453 4.340 -0.000 0.000 0.201 58 Q C 0.402 176.437 176.000 0.058 0.000 0.890 58 Q CA -0.146 55.710 55.803 0.089 0.000 0.947 58 Q CB 0.338 29.111 28.738 0.058 0.000 1.081 58 Q HN 0.229 nan 8.270 nan 0.000 0.502 59 R N 0.658 121.195 120.500 0.061 0.000 2.537 59 R HA -0.005 4.335 4.340 -0.000 0.000 0.280 59 R C 0.572 176.898 176.300 0.044 0.000 1.058 59 R CA 0.632 56.750 56.100 0.031 0.000 1.057 59 R CB 0.496 30.799 30.300 0.005 0.000 0.973 59 R HN 0.291 nan 8.270 nan 0.000 0.438 60 E N 1.105 121.321 120.200 0.027 0.000 2.399 60 E HA 0.061 4.411 4.350 -0.000 0.000 0.206 60 E C 0.996 177.610 176.600 0.023 0.000 0.812 60 E CA 0.390 56.808 56.400 0.031 0.000 1.138 60 E CB 0.593 30.309 29.700 0.027 0.000 1.140 60 E HN 0.654 nan 8.360 nan 0.000 0.536 61 A N 0.819 123.644 122.820 0.008 0.000 2.108 61 A HA 0.211 4.531 4.320 -0.000 0.000 0.206 61 A C 0.776 178.354 177.584 -0.011 0.000 1.212 61 A CA -0.161 51.877 52.037 0.001 0.000 0.843 61 A CB 0.256 19.253 19.000 -0.005 0.000 0.902 61 A HN 0.135 nan 8.150 nan 0.000 0.477 62 L N 0.810 122.016 121.223 -0.028 0.000 2.312 62 L HA 0.578 4.918 4.340 -0.000 0.000 0.281 62 L C -0.715 176.114 176.870 -0.069 0.000 1.070 62 L CA 0.522 55.327 54.840 -0.059 0.000 0.805 62 L CB 1.650 43.656 42.059 -0.088 0.000 1.174 62 L HN 0.047 nan 8.230 nan 0.000 0.434 63 T N 4.287 118.796 114.554 -0.076 0.000 2.824 63 T HA 0.641 4.991 4.350 -0.000 0.000 0.282 63 T C -1.098 173.517 174.700 -0.141 0.000 0.993 63 T CA -0.388 61.664 62.100 -0.079 0.000 0.967 63 T CB 1.544 70.421 68.868 0.015 0.000 0.960 63 T HN 0.354 nan 8.240 nan 0.000 0.441 64 V N 4.628 124.425 119.914 -0.196 0.000 2.443 64 V HA 0.416 4.536 4.120 -0.000 0.000 0.293 64 V C -0.407 175.593 176.094 -0.157 0.000 1.021 64 V CA -1.140 61.021 62.300 -0.233 0.000 0.848 64 V CB 1.333 32.913 31.823 -0.406 0.000 0.998 64 V HN 1.000 nan 8.190 nan 0.000 0.424 65 N N 3.162 121.769 118.700 -0.155 0.000 2.648 65 N HA -0.110 4.630 4.740 -0.000 0.000 0.265 65 N C -2.267 173.149 175.510 -0.156 0.000 1.100 65 N CA 0.412 53.373 53.050 -0.149 0.000 0.715 65 N CB -0.846 37.604 38.487 -0.061 0.000 0.881 65 N HN 0.512 nan 8.380 nan 0.000 0.548 66 P HA 0.212 nan 4.420 nan 0.000 0.272 66 P C -0.419 176.908 177.300 0.046 0.000 1.230 66 P CA -0.220 62.921 63.100 0.069 0.000 0.788 66 P CB 0.782 32.592 31.700 0.182 0.000 0.949 67 A N 2.300 125.292 122.820 0.286 0.000 3.215 67 A HA 0.465 4.785 4.320 -0.000 0.000 0.320 67 A C 0.194 177.929 177.584 0.251 0.000 1.084 67 A CA -0.285 51.891 52.037 0.230 0.000 0.969 67 A CB -0.469 18.670 19.000 0.232 0.000 1.064 67 A HN 0.621 nan 8.150 nan 0.000 0.513 68 K N -1.345 119.139 120.400 0.139 0.000 2.703 68 K HA 0.727 5.047 4.320 -0.000 0.000 0.285 68 K C -0.896 175.708 176.600 0.007 0.000 1.014 68 K CA -0.474 55.877 56.287 0.106 0.000 0.858 68 K CB 0.677 33.174 32.500 -0.004 0.000 1.467 68 K HN 0.677 nan 8.250 nan 0.000 0.383 69 A N 0.360 123.197 122.820 0.028 0.000 2.389 69 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 69 A C -0.267 177.339 177.584 0.037 0.000 1.186 69 A CA -0.465 51.534 52.037 -0.064 0.000 0.828 69 A CB 0.715 19.576 19.000 -0.230 0.000 1.369 69 A HN 1.150 nan 8.150 nan 0.000 0.446 70 C N -1.144 118.156 119.300 -0.002 0.000 2.443 70 C HA 0.489 4.949 4.460 -0.000 0.000 0.369 70 C C 1.514 176.509 174.990 0.008 0.000 1.241 70 C CA -0.386 58.640 59.018 0.015 0.000 2.413 70 C CB 0.153 27.919 27.740 0.042 0.000 2.451 70 C HN 0.942 nan 8.230 nan 0.000 0.595 71 Q N 1.850 121.646 119.800 -0.007 0.000 2.047 71 Q HA -0.173 4.167 4.340 -0.000 0.000 0.211 71 Q C -0.260 175.726 176.000 -0.023 0.000 1.005 71 Q CA 2.564 58.366 55.803 -0.002 0.000 0.866 71 Q CB -1.491 27.233 28.738 -0.023 0.000 0.938 71 Q HN 0.741 nan 8.270 nan 0.000 0.414 72 P HA -0.197 nan 4.420 nan 0.000 0.218 72 P C 1.502 178.518 177.300 -0.473 0.000 1.146 72 P CA 1.062 64.044 63.100 -0.198 0.000 0.813 72 P CB -0.138 31.525 31.700 -0.062 0.000 0.778 73 L N 0.331 121.182 121.223 -0.620 0.000 2.042 73 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 73 L C 2.533 179.521 176.870 0.195 0.000 1.076 73 L CA 2.525 57.091 54.840 -0.457 0.000 0.749 73 L CB -1.538 40.373 42.059 -0.246 0.000 0.893 73 L HN -0.034 nan 8.230 nan 0.000 0.432 74 G N -1.432 107.571 108.800 0.339 0.000 2.408 74 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 74 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 74 G C 1.589 176.721 174.900 0.386 0.000 1.150 74 G CA 0.624 46.113 45.100 0.648 0.000 0.776 74 G HN 0.618 nan 8.290 nan 0.000 0.542 75 A N 0.230 123.150 122.820 0.165 0.000 1.933 75 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 75 A C 2.573 180.184 177.584 0.046 0.000 1.175 75 A CA 1.684 53.749 52.037 0.047 0.000 0.628 75 A CB -0.536 18.479 19.000 0.025 0.000 0.814 75 A HN 0.233 nan 8.150 nan 0.000 0.444 76 V N -0.317 119.663 119.914 0.111 0.000 2.343 76 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 76 V C 2.475 178.658 176.094 0.148 0.000 1.051 76 V CA 1.932 64.333 62.300 0.168 0.000 1.036 76 V CB -0.695 31.289 31.823 0.268 0.000 0.654 76 V HN 0.609 nan 8.190 nan 0.000 0.451 77 L N -0.272 121.067 121.223 0.194 0.000 2.141 77 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 77 L C 2.344 179.230 176.870 0.028 0.000 1.094 77 L CA 2.080 56.930 54.840 0.017 0.000 0.763 77 L CB -0.821 41.208 42.059 -0.050 0.000 0.908 77 L HN 0.462 nan 8.230 nan 0.000 0.437 78 C N -0.636 118.588 119.300 -0.128 0.000 2.453 78 C HA 0.006 4.466 4.460 -0.000 0.000 0.277 78 C C 2.994 177.982 174.990 -0.003 0.000 1.262 78 C CA 0.770 59.519 59.018 -0.448 0.000 1.718 78 C CB -1.274 25.822 27.740 -1.074 0.000 2.031 78 C HN 0.677 nan 8.230 nan 0.000 0.480 79 A N 0.458 123.302 122.820 0.041 0.000 1.940 79 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 79 A C 2.135 179.840 177.584 0.201 0.000 1.176 79 A CA 1.727 53.860 52.037 0.161 0.000 0.631 79 A CB -0.765 18.277 19.000 0.069 0.000 0.814 79 A HN 0.697 nan 8.150 nan 0.000 0.446 80 L N -0.637 120.635 121.223 0.082 0.000 2.353 80 L HA -0.109 4.231 4.340 -0.000 0.000 0.220 80 L C 2.432 179.282 176.870 -0.034 0.000 1.133 80 L CA 0.684 55.540 54.840 0.025 0.000 0.798 80 L CB -0.471 41.544 42.059 -0.072 0.000 0.922 80 L HN 0.501 nan 8.230 nan 0.000 0.445 81 G N -0.784 107.974 108.800 -0.071 0.000 2.848 81 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.208 81 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.208 81 G C 0.197 174.803 174.900 -0.490 0.000 1.152 81 G CA -0.191 44.734 45.100 -0.292 0.000 0.789 81 G HN 0.096 nan 8.290 nan 0.000 0.531 82 F N 0.072 119.990 119.950 -0.054 0.000 2.443 82 F HA 0.364 4.891 4.527 -0.000 0.000 0.335 82 F C 0.549 176.301 175.800 -0.079 0.000 1.104 82 F CA -1.518 56.443 58.000 -0.065 0.000 1.013 82 F CB 1.464 40.419 39.000 -0.074 0.000 1.136 82 F HN -0.046 nan 8.300 nan 0.000 0.470 83 E N 3.610 123.837 120.200 0.045 0.000 2.529 83 E HA -0.062 4.288 4.350 -0.000 0.000 0.259 83 E C -0.090 176.455 176.600 -0.092 0.000 0.966 83 E CA 0.018 56.403 56.400 -0.026 0.000 0.937 83 E CB 0.269 29.941 29.700 -0.047 0.000 0.923 83 E HN 0.605 nan 8.360 nan 0.000 0.468 84 K N 2.144 122.434 120.400 -0.183 0.000 3.177 84 K HA -0.191 4.129 4.320 -0.000 0.000 0.266 84 K C -0.799 175.486 176.600 -0.525 0.000 0.937 84 K CA 0.875 56.786 56.287 -0.628 0.000 0.702 84 K CB -1.752 30.433 32.500 -0.524 0.000 1.365 84 K HN 0.456 nan 8.250 nan 0.000 0.466 85 T N 1.101 115.543 114.554 -0.186 0.000 2.824 85 T HA 0.462 4.812 4.350 -0.000 0.000 0.280 85 T C -0.250 174.535 174.700 0.142 0.000 0.995 85 T CA -0.746 61.337 62.100 -0.028 0.000 1.009 85 T CB 1.298 70.201 68.868 0.058 0.000 0.955 85 T HN 0.200 nan 8.240 nan 0.000 0.452 86 M N 5.335 125.040 119.600 0.176 0.000 2.088 86 M HA 0.448 4.928 4.480 -0.000 0.000 0.346 86 M C -2.761 173.669 176.300 0.217 0.000 1.111 86 M CA -2.489 52.970 55.300 0.266 0.000 1.017 86 M CB 0.984 33.779 32.600 0.324 0.000 1.568 86 M HN 0.127 nan 8.290 nan 0.000 0.445 87 P HA 0.110 nan 4.420 nan 0.000 0.271 87 P C -2.026 175.428 177.300 0.256 0.000 1.220 87 P CA 0.235 63.451 63.100 0.193 0.000 0.768 87 P CB 0.166 31.973 31.700 0.178 0.000 0.848 88 Y N 3.807 124.176 120.300 0.116 0.000 2.326 88 Y HA 0.428 4.978 4.550 -0.000 0.000 0.329 88 Y C -1.196 174.793 175.900 0.149 0.000 0.973 88 Y CA -0.947 57.232 58.100 0.131 0.000 1.162 88 Y CB 1.275 39.807 38.460 0.120 0.000 1.147 88 Y HN 0.033 nan 8.280 nan 0.000 0.456 89 V N 6.514 126.533 119.914 0.175 0.000 2.311 89 V HA 0.139 4.259 4.120 -0.000 0.000 0.275 89 V C -0.356 175.853 176.094 0.191 0.000 1.022 89 V CA -0.740 61.704 62.300 0.240 0.000 0.830 89 V CB 0.304 32.288 31.823 0.268 0.000 1.012 89 V HN 0.774 nan 8.190 nan 0.000 0.452 90 H N 4.103 123.324 119.070 0.252 0.000 2.955 90 H HA 0.585 5.141 4.556 -0.000 0.000 0.290 90 H C 0.461 175.880 175.328 0.151 0.000 1.047 90 H CA 1.341 57.533 56.048 0.241 0.000 1.484 90 H CB 0.284 30.210 29.762 0.274 0.000 1.501 90 H HN 0.963 nan 8.280 nan 0.000 0.521 91 G N 2.424 111.081 108.800 -0.239 0.000 2.334 91 G HA2 0.043 4.003 3.960 -0.000 0.000 0.249 91 G HA3 0.043 4.003 3.960 -0.000 0.000 0.249 91 G C -0.927 173.907 174.900 -0.111 0.000 1.327 91 G CA -0.469 44.519 45.100 -0.187 0.000 0.979 91 G HN 0.870 nan 8.290 nan 0.000 0.471 92 S N 0.103 115.763 115.700 -0.066 0.000 2.564 92 S HA 0.368 4.838 4.470 -0.000 0.000 0.278 92 S C 1.417 175.960 174.600 -0.096 0.000 1.333 92 S CA 0.633 58.793 58.200 -0.068 0.000 1.048 92 S CB 1.515 64.688 63.200 -0.046 0.000 0.900 92 S HN 1.063 nan 8.310 nan 0.000 0.505 93 Q N 2.411 122.147 119.800 -0.107 0.000 2.291 93 Q HA 0.012 4.352 4.340 -0.000 0.000 0.205 93 Q C 1.862 177.742 176.000 -0.200 0.000 0.970 93 Q CA 1.171 56.892 55.803 -0.137 0.000 0.876 93 Q CB -0.921 27.750 28.738 -0.112 0.000 0.935 93 Q HN 0.858 nan 8.270 nan 0.000 0.455 94 G N 1.446 110.126 108.800 -0.199 0.000 2.469 94 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 94 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 94 G C 1.437 176.112 174.900 -0.375 0.000 1.150 94 G CA 1.078 46.004 45.100 -0.290 0.000 0.763 94 G HN 0.505 nan 8.290 nan 0.000 0.561 95 C N -0.101 118.999 119.300 -0.334 0.000 2.413 95 C HA -0.037 4.423 4.460 -0.000 0.000 0.276 95 C C 3.028 177.307 174.990 -1.184 0.000 1.236 95 C CA 0.768 59.395 59.018 -0.652 0.000 1.735 95 C CB -1.082 26.406 27.740 -0.419 0.000 2.031 95 C HN 0.285 nan 8.230 nan 0.000 0.474 96 V N 1.324 120.862 119.914 -0.627 0.000 2.515 96 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 96 V C 2.689 178.640 176.094 -0.237 0.000 1.058 96 V CA 1.910 63.996 62.300 -0.356 0.000 1.064 96 V CB -1.194 30.567 31.823 -0.103 0.000 0.675 96 V HN 0.605 nan 8.190 nan 0.000 0.461 97 A N -0.814 121.830 122.820 -0.292 0.000 1.902 97 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 97 A C 2.065 179.554 177.584 -0.158 0.000 1.181 97 A CA 1.790 53.683 52.037 -0.239 0.000 0.623 97 A CB -0.645 18.139 19.000 -0.359 0.000 0.818 97 A HN 0.538 nan 8.150 nan 0.000 0.443 98 Y N -1.175 119.002 120.300 -0.205 0.000 2.263 98 Y HA -0.057 4.493 4.550 -0.000 0.000 0.292 98 Y C 2.140 178.069 175.900 0.049 0.000 1.130 98 Y CA 0.501 58.533 58.100 -0.113 0.000 1.179 98 Y CB -0.797 37.555 38.460 -0.180 0.000 0.998 98 Y HN 0.329 nan 8.280 nan 0.000 0.532 99 F N 0.075 120.129 119.950 0.173 0.000 2.134 99 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 99 F C 2.280 178.202 175.800 0.204 0.000 1.097 99 F CA 0.990 59.055 58.000 0.109 0.000 1.264 99 F CB -1.219 37.865 39.000 0.139 0.000 1.001 99 F HN -0.026 nan 8.300 nan 0.000 0.479 100 R N 0.423 121.152 120.500 0.381 0.000 2.062 100 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 100 R C 2.430 178.915 176.300 0.308 0.000 1.136 100 R CA 1.790 58.094 56.100 0.339 0.000 0.948 100 R CB -0.874 29.545 30.300 0.199 0.000 0.845 100 R HN 0.352 nan 8.270 nan 0.000 0.430 101 S N 0.140 115.979 115.700 0.232 0.000 2.399 101 S HA -0.199 4.271 4.470 -0.000 0.000 0.231 101 S C 1.877 176.611 174.600 0.223 0.000 1.022 101 S CA 0.926 59.236 58.200 0.183 0.000 0.983 101 S CB -0.577 62.707 63.200 0.141 0.000 0.803 101 S HN 0.308 nan 8.310 nan 0.000 0.480 102 Y N 1.406 121.793 120.300 0.145 0.000 2.145 102 Y HA 0.007 4.557 4.550 -0.000 0.000 0.286 102 Y C 1.941 178.028 175.900 0.311 0.000 1.145 102 Y CA 0.996 59.182 58.100 0.144 0.000 1.148 102 Y CB -0.576 37.926 38.460 0.070 0.000 0.981 102 Y HN 0.218 nan 8.280 nan 0.000 0.507 103 F N 0.028 120.283 119.950 0.509 0.000 2.259 103 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 103 F C 2.083 178.111 175.800 0.381 0.000 1.088 103 F CA 1.227 59.526 58.000 0.499 0.000 1.358 103 F CB -1.241 38.081 39.000 0.535 0.000 1.040 103 F HN 0.113 nan 8.300 nan 0.000 0.505 104 N N -0.042 118.918 118.700 0.432 0.000 2.069 104 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 104 N C 1.871 177.464 175.510 0.138 0.000 1.031 104 N CA 1.238 54.431 53.050 0.239 0.000 0.852 104 N CB -0.130 38.441 38.487 0.141 0.000 1.018 104 N HN 0.182 nan 8.380 nan 0.000 0.423 105 R N -0.620 119.926 120.500 0.076 0.000 2.115 105 R HA -0.135 4.205 4.340 -0.000 0.000 0.230 105 R C 2.023 178.400 176.300 0.129 0.000 1.111 105 R CA 1.174 57.247 56.100 -0.045 0.000 0.976 105 R CB -0.214 29.795 30.300 -0.486 0.000 0.870 105 R HN 0.419 nan 8.270 nan 0.000 0.445 106 H N -0.673 118.476 119.070 0.132 0.000 2.343 106 H HA -0.011 4.545 4.556 -0.000 0.000 0.303 106 H C 1.149 176.239 175.328 -0.398 0.000 1.068 106 H CA 1.543 57.513 56.048 -0.131 0.000 1.359 106 H CB 0.081 29.698 29.762 -0.243 0.000 1.402 106 H HN 0.048 nan 8.280 nan 0.000 0.515 107 F N 0.125 119.970 119.950 -0.176 0.000 2.664 107 F HA 0.263 4.790 4.527 -0.000 0.000 0.296 107 F C 0.849 176.366 175.800 -0.473 0.000 1.125 107 F CA 0.429 58.069 58.000 -0.600 0.000 1.444 107 F CB 0.102 38.977 39.000 -0.209 0.000 1.114 107 F HN -0.014 nan 8.300 nan 0.000 0.576 108 R N 0.989 121.453 120.500 -0.060 0.000 3.416 108 R HA -0.168 4.171 4.340 -0.000 0.000 0.263 108 R C -0.789 175.539 176.300 0.047 0.000 1.053 108 R CA 0.475 56.553 56.100 -0.037 0.000 0.705 108 R CB -1.820 28.409 30.300 -0.119 0.000 1.124 108 R HN 0.240 nan 8.270 nan 0.000 0.444 109 E N -0.721 119.538 120.200 0.098 0.000 2.433 109 E HA 0.433 4.782 4.350 -0.000 0.000 0.273 109 E C -2.576 174.082 176.600 0.097 0.000 0.950 109 E CA -2.269 54.188 56.400 0.095 0.000 0.796 109 E CB 1.605 31.354 29.700 0.083 0.000 1.330 109 E HN -0.162 nan 8.360 nan 0.000 0.455 110 P HA 0.197 nan 4.420 nan 0.000 0.275 110 P C -0.817 176.549 177.300 0.110 0.000 1.227 110 P CA -0.312 62.835 63.100 0.078 0.000 0.781 110 P CB 0.633 32.395 31.700 0.103 0.000 0.906 111 V N 2.908 122.895 119.914 0.121 0.000 2.409 111 V HA 0.214 4.334 4.120 -0.000 0.000 0.290 111 V C -0.208 175.958 176.094 0.120 0.000 1.017 111 V CA -0.350 62.037 62.300 0.145 0.000 0.841 111 V CB 1.579 33.565 31.823 0.272 0.000 1.003 111 V HN 0.451 nan 8.190 nan 0.000 0.426 112 S N 3.734 119.484 115.700 0.083 0.000 2.452 112 S HA 0.580 5.050 4.470 -0.000 0.000 0.284 112 S C -0.397 174.241 174.600 0.063 0.000 1.171 112 S CA -0.386 57.831 58.200 0.028 0.000 1.064 112 S CB 0.994 64.171 63.200 -0.038 0.000 0.967 112 S HN 0.869 nan 8.310 nan 0.000 0.484 113 C N 4.174 123.499 119.300 0.041 0.000 3.006 113 C HA 0.656 5.116 4.460 -0.000 0.000 0.359 113 C C -0.672 174.328 174.990 0.018 0.000 1.103 113 C CA -0.286 58.785 59.018 0.089 0.000 1.286 113 C CB 0.447 28.305 27.740 0.197 0.000 1.694 113 C HN 0.679 nan 8.230 nan 0.000 0.511 114 V N 3.702 123.622 119.914 0.011 0.000 2.881 114 V HA 0.885 5.005 4.120 -0.000 0.000 0.316 114 V C 0.164 176.145 176.094 -0.188 0.000 1.070 114 V CA -0.027 62.225 62.300 -0.080 0.000 0.976 114 V CB 2.257 34.050 31.823 -0.050 0.000 1.038 114 V HN 1.000 nan 8.190 nan 0.000 0.446 115 S N 0.478 116.033 115.700 -0.243 0.000 2.671 115 S HA 0.519 4.989 4.470 -0.000 0.000 0.299 115 S C -0.562 173.830 174.600 -0.346 0.000 1.116 115 S CA -0.365 57.671 58.200 -0.274 0.000 0.912 115 S CB 1.845 64.958 63.200 -0.144 0.000 1.130 115 S HN 0.898 nan 8.310 nan 0.000 0.501 116 D N 0.229 120.472 120.400 -0.262 0.000 2.462 116 D HA 0.246 4.886 4.640 -0.000 0.000 0.221 116 D C -0.089 176.187 176.300 -0.040 0.000 1.173 116 D CA -0.222 53.714 54.000 -0.107 0.000 0.831 116 D CB -0.286 40.575 40.800 0.101 0.000 1.001 116 D HN 0.374 nan 8.370 nan 0.000 0.499 117 S N 0.156 115.813 115.700 -0.072 0.000 3.447 117 S HA -0.247 4.223 4.470 -0.000 0.000 0.371 117 S C 0.225 174.802 174.600 -0.038 0.000 0.951 117 S CA 0.183 58.351 58.200 -0.054 0.000 1.269 117 S CB -1.710 61.468 63.200 -0.037 0.000 0.919 117 S HN 0.510 nan 8.310 nan 0.000 0.516 118 M N 2.063 121.630 119.600 -0.055 0.000 2.217 118 M HA 0.168 4.648 4.480 -0.000 0.000 0.352 118 M C 1.226 177.513 176.300 -0.022 0.000 1.376 118 M CA 0.234 55.512 55.300 -0.037 0.000 1.107 118 M CB 0.472 33.026 32.600 -0.076 0.000 1.723 118 M HN 0.603 nan 8.290 nan 0.000 0.461 119 T N -1.517 113.037 114.554 -0.000 0.000 2.864 119 T HA 0.331 4.681 4.350 -0.000 0.000 0.276 119 T C 1.038 175.749 174.700 0.018 0.000 1.006 119 T CA -0.866 61.236 62.100 0.003 0.000 0.970 119 T CB 0.994 69.867 68.868 0.008 0.000 1.420 119 T HN 0.601 nan 8.240 nan 0.000 0.601 120 E N 1.243 121.454 120.200 0.018 0.000 2.048 120 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 120 E C 1.940 178.564 176.600 0.041 0.000 1.021 120 E CA 2.183 58.595 56.400 0.020 0.000 0.825 120 E CB -0.371 29.340 29.700 0.018 0.000 0.756 120 E HN 0.856 nan 8.360 nan 0.000 0.454 121 D N -0.132 120.319 120.400 0.085 0.000 2.219 121 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 121 D C 1.707 178.139 176.300 0.221 0.000 0.970 121 D CA 1.158 55.269 54.000 0.185 0.000 0.851 121 D CB -0.105 40.843 40.800 0.246 0.000 0.943 121 D HN 0.103 nan 8.370 nan 0.000 0.488 122 A N 1.075 123.973 122.820 0.131 0.000 2.014 122 A HA 0.262 4.582 4.320 -0.000 0.000 0.218 122 A C 2.471 180.113 177.584 0.097 0.000 1.163 122 A CA 1.460 53.571 52.037 0.122 0.000 0.652 122 A CB -0.521 18.521 19.000 0.070 0.000 0.808 122 A HN 0.355 nan 8.150 nan 0.000 0.449 123 A N -0.468 122.383 122.820 0.053 0.000 1.902 123 A HA 0.014 4.333 4.320 -0.000 0.000 0.217 123 A C 2.207 179.788 177.584 -0.006 0.000 1.181 123 A CA 1.819 53.873 52.037 0.027 0.000 0.623 123 A CB -0.780 18.224 19.000 0.007 0.000 0.818 123 A HN 0.334 nan 8.150 nan 0.000 0.443 124 V N -1.705 118.168 119.914 -0.069 0.000 2.323 124 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 124 V C 2.055 177.961 176.094 -0.313 0.000 1.041 124 V CA 1.715 63.867 62.300 -0.247 0.000 1.025 124 V CB -0.776 30.789 31.823 -0.430 0.000 0.656 124 V HN 0.559 nan 8.190 nan 0.000 0.451 125 F N 0.351 120.317 119.950 0.026 0.000 2.776 125 F HA 0.519 5.046 4.527 -0.000 0.000 0.300 125 F C 1.291 177.112 175.800 0.035 0.000 1.116 125 F CA 0.638 58.652 58.000 0.022 0.000 1.375 125 F CB -0.249 38.753 39.000 0.003 0.000 1.109 125 F HN 0.283 nan 8.300 nan 0.000 0.585 126 G N -0.279 108.635 108.800 0.191 0.000 2.619 126 G HA2 0.107 4.067 3.960 -0.000 0.000 0.686 126 G HA3 0.107 4.067 3.960 -0.000 0.000 0.686 126 G C 0.430 175.436 174.900 0.176 0.000 1.256 126 G CA -0.667 44.558 45.100 0.209 0.000 0.826 126 G HN 0.451 nan 8.290 nan 0.000 0.619 127 G N -0.860 108.112 108.800 0.287 0.000 3.609 127 G HA2 0.375 4.335 3.960 -0.000 0.000 0.280 127 G HA3 0.375 4.335 3.960 -0.000 0.000 0.280 127 G C 0.936 175.861 174.900 0.041 0.000 1.155 127 G CA 1.095 46.350 45.100 0.258 0.000 0.876 127 G HN 0.836 nan 8.290 nan 0.000 0.535 128 Q N -0.443 119.027 119.800 -0.550 0.000 2.124 128 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 128 Q C 2.372 178.096 176.000 -0.460 0.000 0.977 128 Q CA 0.994 56.185 55.803 -1.021 0.000 0.850 128 Q CB 0.077 28.048 28.738 -1.279 0.000 0.901 128 Q HN 0.322 nan 8.270 nan 0.000 0.429 129 Q N 0.383 120.011 119.800 -0.287 0.000 2.119 129 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 129 Q C 1.605 177.513 176.000 -0.154 0.000 0.972 129 Q CA 1.365 57.030 55.803 -0.230 0.000 0.847 129 Q CB -0.179 28.475 28.738 -0.140 0.000 0.903 129 Q HN 0.437 nan 8.270 nan 0.000 0.433 130 N N 0.212 118.886 118.700 -0.043 0.000 2.104 130 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 130 N C 1.560 177.134 175.510 0.106 0.000 1.024 130 N CA 1.573 54.656 53.050 0.055 0.000 0.853 130 N CB -0.225 38.335 38.487 0.120 0.000 1.008 130 N HN 0.132 nan 8.380 nan 0.000 0.424 131 M N 0.976 120.633 119.600 0.096 0.000 2.099 131 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 131 M C 1.470 177.704 176.300 -0.110 0.000 1.067 131 M CA 1.612 56.959 55.300 0.078 0.000 1.124 131 M CB 0.006 32.617 32.600 0.017 0.000 1.353 131 M HN -0.055 nan 8.290 nan 0.000 0.410 132 K N -0.038 120.151 120.400 -0.351 0.000 1.985 132 K HA -0.165 4.154 4.320 -0.000 0.000 0.210 132 K C 1.815 178.119 176.600 -0.493 0.000 1.047 132 K CA 1.793 57.616 56.287 -0.773 0.000 0.932 132 K CB -0.466 31.070 32.500 -1.607 0.000 0.716 132 K HN 0.384 nan 8.250 nan 0.000 0.439 133 D N -0.094 120.130 120.400 -0.294 0.000 2.117 133 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 133 D C 2.005 178.355 176.300 0.084 0.000 0.987 133 D CA 1.404 55.402 54.000 -0.002 0.000 0.829 133 D CB -0.335 40.475 40.800 0.017 0.000 0.961 133 D HN 0.381 nan 8.370 nan 0.000 0.460 134 G N 1.055 109.925 108.800 0.118 0.000 2.421 134 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 134 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 134 G C 1.856 176.958 174.900 0.337 0.000 1.171 134 G CA 0.243 45.496 45.100 0.255 0.000 0.775 134 G HN 0.231 nan 8.290 nan 0.000 0.543 135 L N -0.101 121.251 121.223 0.215 0.000 2.083 135 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 135 L C 2.970 179.883 176.870 0.072 0.000 1.083 135 L CA 1.499 56.396 54.840 0.094 0.000 0.752 135 L CB -0.368 41.653 42.059 -0.063 0.000 0.899 135 L HN 0.335 nan 8.230 nan 0.000 0.433 136 Q N 0.063 119.922 119.800 0.099 0.000 2.083 136 Q HA -0.177 4.162 4.340 -0.000 0.000 0.198 136 Q C 2.004 178.043 176.000 0.066 0.000 0.969 136 Q CA 1.317 57.170 55.803 0.084 0.000 0.838 136 Q CB 0.146 29.002 28.738 0.196 0.000 0.900 136 Q HN 0.473 nan 8.270 nan 0.000 0.436 137 N N 0.523 119.284 118.700 0.102 0.000 2.058 137 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 137 N C 1.958 177.524 175.510 0.092 0.000 1.037 137 N CA 1.383 54.482 53.050 0.081 0.000 0.848 137 N CB -1.020 37.524 38.487 0.096 0.000 1.021 137 N HN 0.341 nan 8.380 nan 0.000 0.422 138 C N 1.722 121.133 119.300 0.185 0.000 2.413 138 C HA -0.080 4.380 4.460 -0.000 0.000 0.276 138 C C 2.663 177.779 174.990 0.210 0.000 1.236 138 C CA 0.987 60.177 59.018 0.287 0.000 1.735 138 C CB -0.889 27.085 27.740 0.391 0.000 2.031 138 C HN 0.450 nan 8.230 nan 0.000 0.474 139 K N 0.204 120.655 120.400 0.086 0.000 2.097 139 K HA -0.058 4.261 4.320 -0.000 0.000 0.205 139 K C 2.054 178.644 176.600 -0.016 0.000 1.050 139 K CA 1.557 57.832 56.287 -0.021 0.000 0.938 139 K CB -0.306 32.015 32.500 -0.298 0.000 0.718 139 K HN 0.535 nan 8.250 nan 0.000 0.442 140 A N 0.111 122.914 122.820 -0.028 0.000 1.970 140 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 140 A C 1.993 179.534 177.584 -0.071 0.000 1.170 140 A CA 1.659 53.671 52.037 -0.042 0.000 0.645 140 A CB -0.448 18.528 19.000 -0.041 0.000 0.816 140 A HN 0.386 nan 8.150 nan 0.000 0.447 141 T N -1.622 112.852 114.554 -0.133 0.000 2.852 141 T HA 0.003 4.353 4.350 -0.000 0.000 0.256 141 T C 1.153 175.571 174.700 -0.469 0.000 1.038 141 T CA 1.308 63.184 62.100 -0.372 0.000 1.141 141 T CB -0.311 68.180 68.868 -0.627 0.000 0.869 141 T HN 0.522 nan 8.240 nan 0.000 0.439 142 Y N 1.234 121.610 120.300 0.128 0.000 2.485 142 Y HA 0.334 4.884 4.550 -0.000 0.000 0.260 142 Y C 0.552 176.606 175.900 0.257 0.000 1.173 142 Y CA -0.854 57.353 58.100 0.179 0.000 1.252 142 Y CB -0.024 38.558 38.460 0.204 0.000 1.123 142 Y HN -0.016 nan 8.280 nan 0.000 0.524 143 K N -0.300 120.249 120.400 0.248 0.000 3.177 143 K HA -0.190 4.130 4.320 -0.000 0.000 0.266 143 K C -2.741 173.995 176.600 0.226 0.000 0.937 143 K CA 0.373 56.782 56.287 0.204 0.000 0.702 143 K CB -1.892 30.703 32.500 0.158 0.000 1.365 143 K HN 0.352 nan 8.250 nan 0.000 0.466 144 P HA 0.149 nan 4.420 nan 0.000 0.274 144 P C 0.144 177.529 177.300 0.142 0.000 1.246 144 P CA -0.185 62.945 63.100 0.050 0.000 0.795 144 P CB 0.703 32.518 31.700 0.190 0.000 1.006 145 D N -0.387 119.970 120.400 -0.071 0.000 2.346 145 D HA 0.148 4.788 4.640 -0.000 0.000 0.206 145 D C 0.731 176.814 176.300 -0.362 0.000 1.001 145 D CA 0.991 54.951 54.000 -0.067 0.000 0.871 145 D CB 0.323 41.049 40.800 -0.125 0.000 0.943 145 D HN 0.350 nan 8.370 nan 0.000 0.518 146 M N 0.201 119.627 119.600 -0.291 0.000 2.465 146 M HA 0.369 4.849 4.480 -0.000 0.000 0.284 146 M C -2.134 174.090 176.300 -0.126 0.000 1.212 146 M CA -0.518 54.514 55.300 -0.446 0.000 0.910 146 M CB 2.497 34.921 32.600 -0.293 0.000 1.725 146 M HN -0.330 nan 8.290 nan 0.000 0.477 147 I N 3.281 123.789 120.570 -0.102 0.000 2.410 147 I HA 0.555 4.725 4.170 -0.000 0.000 0.286 147 I C -0.437 175.625 176.117 -0.092 0.000 1.009 147 I CA -0.797 60.528 61.300 0.042 0.000 1.111 147 I CB 1.995 40.096 38.000 0.170 0.000 1.262 147 I HN 0.823 nan 8.210 nan 0.000 0.443 148 A N 7.159 129.948 122.820 -0.051 0.000 2.294 148 A HA 0.614 4.934 4.320 -0.000 0.000 0.316 148 A C -0.327 177.259 177.584 0.004 0.000 1.359 148 A CA -0.410 51.563 52.037 -0.107 0.000 0.956 148 A CB 0.362 19.283 19.000 -0.132 0.000 1.155 148 A HN 0.462 nan 8.150 nan 0.000 0.544 149 V N 3.503 123.403 119.914 -0.022 0.000 2.461 149 V HA 0.505 4.625 4.120 -0.000 0.000 0.275 149 V C 0.751 176.895 176.094 0.085 0.000 1.047 149 V CA 0.348 62.693 62.300 0.073 0.000 0.955 149 V CB 0.790 32.593 31.823 -0.033 0.000 0.988 149 V HN 1.069 nan 8.190 nan 0.000 0.471 150 S N 3.434 119.227 115.700 0.155 0.000 2.810 150 S HA 0.907 5.377 4.470 -0.000 0.000 0.315 150 S C -0.303 174.403 174.600 0.176 0.000 1.138 150 S CA -0.294 57.974 58.200 0.113 0.000 0.889 150 S CB 2.402 65.660 63.200 0.096 0.000 1.236 150 S HN 0.866 nan 8.310 nan 0.000 0.548 151 T N -1.830 112.814 114.554 0.149 0.000 2.906 151 T HA 0.672 5.022 4.350 -0.000 0.000 0.295 151 T C -0.448 174.356 174.700 0.173 0.000 1.075 151 T CA -0.641 61.572 62.100 0.189 0.000 1.005 151 T CB 1.258 70.239 68.868 0.189 0.000 1.136 151 T HN 0.607 nan 8.240 nan 0.000 0.498 152 T N 1.019 115.675 114.554 0.169 0.000 2.918 152 T HA 0.286 4.636 4.350 -0.000 0.000 0.283 152 T C 1.831 176.614 174.700 0.138 0.000 1.001 152 T CA -0.450 61.745 62.100 0.160 0.000 1.041 152 T CB 0.541 69.477 68.868 0.113 0.000 1.028 152 T HN 1.030 nan 8.240 nan 0.000 0.511 153 C N 2.302 121.693 119.300 0.151 0.000 2.410 153 C HA -0.069 4.391 4.460 -0.000 0.000 0.281 153 C C 2.568 177.702 174.990 0.239 0.000 1.318 153 C CA 0.273 59.426 59.018 0.226 0.000 1.776 153 C CB -1.542 26.384 27.740 0.311 0.000 1.942 153 C HN 0.906 nan 8.230 nan 0.000 0.508 154 M N 2.267 121.956 119.600 0.147 0.000 2.086 154 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 154 M C 2.461 178.832 176.300 0.118 0.000 1.067 154 M CA 2.369 57.733 55.300 0.107 0.000 1.116 154 M CB -0.436 32.196 32.600 0.053 0.000 1.348 154 M HN 0.451 nan 8.290 nan 0.000 0.407 155 A N -0.188 122.701 122.820 0.115 0.000 2.066 155 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 155 A C 1.820 179.524 177.584 0.200 0.000 1.157 155 A CA 1.207 53.335 52.037 0.152 0.000 0.670 155 A CB -0.447 18.649 19.000 0.160 0.000 0.804 155 A HN 0.565 nan 8.150 nan 0.000 0.453 156 E N -0.297 120.032 120.200 0.215 0.000 2.122 156 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 156 E C 2.156 178.922 176.600 0.276 0.000 0.977 156 E CA 0.936 57.480 56.400 0.240 0.000 0.820 156 E CB -0.340 29.470 29.700 0.183 0.000 0.770 156 E HN 0.370 nan 8.360 nan 0.000 0.462 157 V N 2.513 122.593 119.914 0.277 0.000 2.358 157 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 157 V C 2.439 178.593 176.094 0.099 0.000 1.047 157 V CA 1.669 64.066 62.300 0.162 0.000 1.035 157 V CB -0.622 31.249 31.823 0.081 0.000 0.658 157 V HN 0.343 nan 8.190 nan 0.000 0.452 158 I N -0.832 119.800 120.570 0.103 0.000 3.444 158 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 158 I C 1.382 177.551 176.117 0.087 0.000 1.302 158 I CA 0.841 62.190 61.300 0.083 0.000 1.368 158 I CB -0.818 37.236 38.000 0.090 0.000 1.048 158 I HN 0.378 nan 8.210 nan 0.000 0.487 159 G N 1.939 110.793 108.800 0.090 0.000 2.246 159 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.273 159 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.273 159 G C -0.375 174.544 174.900 0.032 0.000 1.055 159 G CA 0.396 45.527 45.100 0.052 0.000 0.851 159 G HN 0.559 nan 8.290 nan 0.000 0.500 160 D N 0.464 120.907 120.400 0.072 0.000 2.434 160 D HA 0.317 4.957 4.640 -0.000 0.000 0.252 160 D C 0.459 176.562 176.300 -0.328 0.000 1.185 160 D CA 0.186 54.154 54.000 -0.052 0.000 0.886 160 D CB 0.758 41.680 40.800 0.203 0.000 1.148 160 D HN 0.235 nan 8.370 nan 0.000 0.483 161 D N 3.594 123.581 120.400 -0.690 0.000 2.435 161 D HA 0.034 4.674 4.640 -0.000 0.000 0.230 161 D C 1.256 176.993 176.300 -0.937 0.000 1.215 161 D CA -0.198 53.455 54.000 -0.578 0.000 0.947 161 D CB 0.186 40.772 40.800 -0.357 0.000 1.048 161 D HN 0.348 nan 8.370 nan 0.000 0.512 162 L N 3.087 123.901 121.223 -0.681 0.000 2.013 162 L HA -0.210 4.129 4.340 -0.000 0.000 0.212 162 L C 2.359 178.709 176.870 -0.866 0.000 1.073 162 L CA 1.072 55.433 54.840 -0.799 0.000 0.753 162 L CB -0.545 41.045 42.059 -0.782 0.000 0.890 162 L HN 0.536 nan 8.230 nan 0.000 0.432 163 N N 0.085 118.179 118.700 -1.009 0.000 2.036 163 N HA -0.250 4.490 4.740 -0.000 0.000 0.195 163 N C 1.900 177.198 175.510 -0.355 0.000 1.037 163 N CA 1.620 54.181 53.050 -0.816 0.000 0.855 163 N CB 0.025 38.247 38.487 -0.441 0.000 1.033 163 N HN 0.337 nan 8.380 nan 0.000 0.423 164 A N 0.967 123.645 122.820 -0.238 0.000 1.873 164 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 164 A C 1.945 179.601 177.584 0.120 0.000 1.193 164 A CA 1.357 53.375 52.037 -0.032 0.000 0.629 164 A CB -0.991 18.030 19.000 0.034 0.000 0.826 164 A HN 0.379 nan 8.150 nan 0.000 0.447 165 F N -0.066 119.769 119.950 -0.191 0.000 2.095 165 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 165 F C 2.269 177.950 175.800 -0.199 0.000 1.104 165 F CA 0.581 58.466 58.000 -0.192 0.000 1.232 165 F CB -1.187 37.667 39.000 -0.245 0.000 0.987 165 F HN 0.136 nan 8.300 nan 0.000 0.475 166 I N -0.050 120.490 120.570 -0.051 0.000 2.252 166 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 166 I C 2.051 178.151 176.117 -0.027 0.000 1.102 166 I CA 1.366 62.614 61.300 -0.088 0.000 1.385 166 I CB -0.615 37.288 38.000 -0.161 0.000 1.064 166 I HN 0.188 nan 8.210 nan 0.000 0.414 167 N N 0.798 119.481 118.700 -0.029 0.000 2.120 167 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 167 N C 1.521 177.048 175.510 0.029 0.000 1.024 167 N CA 1.038 54.092 53.050 0.006 0.000 0.852 167 N CB -0.092 38.392 38.487 -0.004 0.000 1.003 167 N HN 0.331 nan 8.380 nan 0.000 0.424 168 N N 0.387 119.105 118.700 0.031 0.000 2.331 168 N HA -0.002 4.738 4.740 -0.000 0.000 0.180 168 N C 1.526 177.071 175.510 0.058 0.000 1.019 168 N CA 0.574 53.646 53.050 0.038 0.000 0.881 168 N CB -0.121 38.377 38.487 0.019 0.000 0.972 168 N HN 0.085 nan 8.380 nan 0.000 0.435 169 S N 0.915 116.631 115.700 0.026 0.000 2.368 169 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 169 S C 1.792 176.506 174.600 0.191 0.000 1.029 169 S CA 0.953 59.190 58.200 0.062 0.000 0.988 169 S CB 0.136 63.309 63.200 -0.046 0.000 0.838 169 S HN 0.361 nan 8.310 nan 0.000 0.462 170 K N 1.110 121.575 120.400 0.108 0.000 2.062 170 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 170 K C 2.193 178.845 176.600 0.087 0.000 1.051 170 K CA 0.918 57.265 56.287 0.099 0.000 0.941 170 K CB -0.137 32.411 32.500 0.080 0.000 0.719 170 K HN 0.164 nan 8.250 nan 0.000 0.440 171 K N 1.614 122.061 120.400 0.077 0.000 2.209 171 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 171 K C 1.078 177.716 176.600 0.063 0.000 1.048 171 K CA 1.402 57.724 56.287 0.058 0.000 0.940 171 K CB 0.186 32.715 32.500 0.048 0.000 0.729 171 K HN 0.134 nan 8.250 nan 0.000 0.451 172 E N -1.305 118.967 120.200 0.119 0.000 2.463 172 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 172 E C 0.509 177.085 176.600 -0.041 0.000 1.041 172 E CA 0.311 56.772 56.400 0.102 0.000 0.879 172 E CB 0.713 30.582 29.700 0.282 0.000 0.997 172 E HN 0.546 nan 8.360 nan 0.000 0.478 173 G N 0.756 109.554 108.800 -0.004 0.000 2.159 173 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.256 173 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.256 173 G C 0.614 175.425 174.900 -0.148 0.000 0.977 173 G CA 0.221 45.262 45.100 -0.098 0.000 0.652 173 G HN 0.324 nan 8.290 nan 0.000 0.531 174 F N 0.764 120.693 119.950 -0.035 0.000 2.269 174 F HA 0.253 4.779 4.527 -0.000 0.000 0.301 174 F C 1.736 177.492 175.800 -0.073 0.000 1.082 174 F CA 1.675 59.648 58.000 -0.046 0.000 1.360 174 F CB 0.029 39.007 39.000 -0.038 0.000 1.041 174 F HN 0.508 nan 8.300 nan 0.000 0.512 175 I N -4.617 116.009 120.570 0.093 0.000 2.752 175 I HA 0.480 4.650 4.170 -0.000 0.000 0.295 175 I C -3.004 173.121 176.117 0.014 0.000 1.219 175 I CA -2.676 58.609 61.300 -0.025 0.000 1.030 175 I CB 1.804 39.760 38.000 -0.074 0.000 1.259 175 I HN -0.400 nan 8.210 nan 0.000 0.423 176 P HA -0.012 nan 4.420 nan 0.000 0.266 176 P C -0.044 177.326 177.300 0.116 0.000 1.186 176 P CA 0.317 63.455 63.100 0.063 0.000 0.767 176 P CB 0.599 32.352 31.700 0.088 0.000 0.820 177 D N 2.232 122.686 120.400 0.089 0.000 2.144 177 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 177 D C 1.380 177.750 176.300 0.115 0.000 0.984 177 D CA 1.188 55.241 54.000 0.090 0.000 0.834 177 D CB 0.043 40.876 40.800 0.056 0.000 0.955 177 D HN 0.427 nan 8.370 nan 0.000 0.465 178 E N -0.086 120.189 120.200 0.124 0.000 2.489 178 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 178 E C 0.034 176.736 176.600 0.170 0.000 1.057 178 E CA -0.370 56.105 56.400 0.125 0.000 0.866 178 E CB -0.966 28.789 29.700 0.092 0.000 0.916 178 E HN 0.360 nan 8.360 nan 0.000 0.500 179 F N 4.968 124.952 119.950 0.058 0.000 2.541 179 F HA 0.193 4.720 4.527 -0.000 0.000 0.378 179 F C -1.961 173.861 175.800 0.037 0.000 1.068 179 F CA -2.606 55.420 58.000 0.044 0.000 1.199 179 F CB 0.627 39.641 39.000 0.023 0.000 1.091 179 F HN -0.169 nan 8.300 nan 0.000 0.555 180 P HA 0.010 nan 4.420 nan 0.000 0.265 180 P C -0.885 176.025 177.300 -0.650 0.000 1.222 180 P CA 0.150 62.964 63.100 -0.478 0.000 0.767 180 P CB 1.092 32.580 31.700 -0.353 0.000 0.801 181 V N 6.251 125.762 119.914 -0.672 0.000 2.384 181 V HA 0.199 4.319 4.120 -0.000 0.000 0.257 181 V C -1.903 173.861 176.094 -0.550 0.000 0.969 181 V CA -1.692 60.348 62.300 -0.434 0.000 0.910 181 V CB 1.049 32.815 31.823 -0.094 0.000 1.150 181 V HN 0.517 nan 8.190 nan 0.000 0.481 182 P HA 0.376 nan 4.420 nan 0.000 0.272 182 P C -0.836 176.315 177.300 -0.248 0.000 1.223 182 P CA 0.126 62.858 63.100 -0.612 0.000 0.784 182 P CB 1.132 32.395 31.700 -0.728 0.000 0.923 183 F N -1.000 118.790 119.950 -0.267 0.000 2.643 183 F HA 0.871 5.398 4.527 -0.000 0.000 0.314 183 F C -1.720 173.946 175.800 -0.223 0.000 1.096 183 F CA -1.559 56.297 58.000 -0.240 0.000 0.953 183 F CB 1.178 40.028 39.000 -0.251 0.000 1.345 183 F HN 0.532 nan 8.300 nan 0.000 0.468 184 A N 0.676 123.393 122.820 -0.172 0.000 2.589 184 A HA 0.563 4.882 4.320 -0.000 0.000 0.296 184 A C -2.042 175.483 177.584 -0.100 0.000 1.062 184 A CA -0.718 51.204 52.037 -0.192 0.000 0.686 184 A CB 1.034 19.928 19.000 -0.176 0.000 1.282 184 A HN 0.923 nan 8.150 nan 0.000 0.404 185 H N 1.939 121.042 119.070 0.056 0.000 2.604 185 H HA 0.419 4.975 4.556 -0.000 0.000 0.306 185 H C -0.054 175.274 175.328 0.001 0.000 1.075 185 H CA 1.062 57.141 56.048 0.052 0.000 1.357 185 H CB 1.163 30.953 29.762 0.048 0.000 1.426 185 H HN 0.670 nan 8.280 nan 0.000 0.470 186 T N 1.511 116.115 114.554 0.083 0.000 3.401 186 T HA 0.210 4.560 4.350 -0.000 0.000 0.341 186 T C -2.840 171.824 174.700 -0.061 0.000 1.674 186 T CA -1.961 60.148 62.100 0.014 0.000 1.600 186 T CB 0.756 69.638 68.868 0.024 0.000 0.974 186 T HN 0.294 nan 8.240 nan 0.000 0.672 187 P HA 0.108 nan 4.420 nan 0.000 0.266 187 P C 1.208 178.207 177.300 -0.501 0.000 1.215 187 P CA -0.019 62.760 63.100 -0.535 0.000 0.763 187 P CB 1.105 32.264 31.700 -0.901 0.000 0.806 188 S N 3.345 118.838 115.700 -0.345 0.000 2.419 188 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 188 S C 1.241 175.804 174.600 -0.063 0.000 1.019 188 S CA 1.072 59.211 58.200 -0.103 0.000 0.982 188 S CB -1.280 61.960 63.200 0.067 0.000 0.789 188 S HN 0.578 nan 8.310 nan 0.000 0.490 189 F N 0.868 120.839 119.950 0.035 0.000 2.664 189 F HA 0.657 5.184 4.527 -0.000 0.000 0.301 189 F C -0.105 175.705 175.800 0.016 0.000 1.126 189 F CA -0.973 57.039 58.000 0.020 0.000 1.373 189 F CB -0.428 38.584 39.000 0.020 0.000 1.042 189 F HN -0.103 nan 8.300 nan 0.000 0.535 190 V N 0.640 120.516 119.914 -0.063 0.000 2.638 190 V HA 0.758 4.878 4.120 -0.000 0.000 0.306 190 V C 0.702 176.775 176.094 -0.035 0.000 1.052 190 V CA -0.632 61.659 62.300 -0.016 0.000 0.885 190 V CB 0.782 32.573 31.823 -0.054 0.000 0.999 190 V HN 0.620 nan 8.190 nan 0.000 0.424 191 G N 4.787 113.579 108.800 -0.014 0.000 2.614 191 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.303 191 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.303 191 G C 0.215 175.072 174.900 -0.071 0.000 1.270 191 G CA 0.838 45.915 45.100 -0.039 0.000 0.988 191 G HN 1.922 nan 8.290 nan 0.000 0.551 192 S N -2.616 113.022 115.700 -0.103 0.000 2.843 192 S HA 0.616 5.086 4.470 -0.000 0.000 0.301 192 S C 1.164 175.686 174.600 -0.130 0.000 1.206 192 S CA 0.679 58.814 58.200 -0.108 0.000 0.875 192 S CB 0.825 63.929 63.200 -0.159 0.000 1.248 192 S HN 1.793 nan 8.310 nan 0.000 0.555 193 H N 0.975 119.950 119.070 -0.158 0.000 2.390 193 H HA -0.090 4.466 4.556 -0.000 0.000 0.298 193 H C 2.149 177.392 175.328 -0.142 0.000 1.106 193 H CA 2.241 58.200 56.048 -0.148 0.000 1.297 193 H CB -1.455 28.176 29.762 -0.219 0.000 1.375 193 H HN 0.581 nan 8.280 nan 0.000 0.509 194 V N -0.125 119.257 119.914 -0.887 0.000 2.407 194 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 194 V C 2.318 178.329 176.094 -0.138 0.000 1.055 194 V CA 2.098 63.996 62.300 -0.669 0.000 1.049 194 V CB -1.389 29.817 31.823 -1.027 0.000 0.662 194 V HN 0.372 nan 8.190 nan 0.000 0.455 195 T N 1.140 115.631 114.554 -0.105 0.000 2.833 195 T HA -0.001 4.349 4.350 -0.000 0.000 0.269 195 T C 1.891 176.654 174.700 0.105 0.000 1.054 195 T CA 1.615 63.736 62.100 0.035 0.000 1.135 195 T CB -0.717 68.148 68.868 -0.006 0.000 0.869 195 T HN 0.722 nan 8.240 nan 0.000 0.466 196 G N -0.375 108.487 108.800 0.103 0.000 2.408 196 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 196 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 196 G C 1.319 176.351 174.900 0.220 0.000 1.150 196 G CA 0.248 45.426 45.100 0.130 0.000 0.776 196 G HN 0.560 nan 8.290 nan 0.000 0.542 197 W N 1.170 122.565 121.300 0.159 0.000 2.355 197 W HA -0.061 4.599 4.660 -0.000 0.000 0.309 197 W C 2.240 178.897 176.519 0.230 0.000 1.206 197 W CA 1.502 58.988 57.345 0.235 0.000 1.284 197 W CB 0.016 29.667 29.460 0.319 0.000 1.145 197 W HN 0.279 nan 8.180 nan 0.000 0.502 198 D N -0.074 120.700 120.400 0.624 0.000 2.104 198 D HA -0.261 4.379 4.640 -0.000 0.000 0.194 198 D C 1.802 178.258 176.300 0.261 0.000 0.994 198 D CA 1.919 56.204 54.000 0.476 0.000 0.830 198 D CB -0.512 40.493 40.800 0.341 0.000 0.959 198 D HN 0.015 nan 8.370 nan 0.000 0.452 199 N N -0.387 118.407 118.700 0.157 0.000 2.120 199 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 199 N C 1.716 177.205 175.510 -0.035 0.000 1.024 199 N CA 0.906 53.984 53.050 0.047 0.000 0.852 199 N CB -0.428 38.080 38.487 0.035 0.000 1.003 199 N HN 0.291 nan 8.380 nan 0.000 0.424 200 M N -0.121 119.458 119.600 -0.034 0.000 2.117 200 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 200 M C 1.816 178.000 176.300 -0.194 0.000 1.065 200 M CA 1.188 56.406 55.300 -0.137 0.000 1.114 200 M CB -0.543 31.971 32.600 -0.144 0.000 1.361 200 M HN 0.104 nan 8.290 nan 0.000 0.408 201 F N 0.562 120.346 119.950 -0.276 0.000 2.113 201 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 201 F C 2.359 178.045 175.800 -0.191 0.000 1.103 201 F CA 2.084 59.943 58.000 -0.235 0.000 1.248 201 F CB -0.508 38.371 39.000 -0.202 0.000 0.999 201 F HN 0.255 nan 8.300 nan 0.000 0.475 202 E N 0.327 120.465 120.200 -0.103 0.000 2.153 202 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 202 E C 2.378 178.632 176.600 -0.577 0.000 0.988 202 E CA 1.188 57.375 56.400 -0.355 0.000 0.811 202 E CB -0.677 28.908 29.700 -0.192 0.000 0.746 202 E HN 0.534 nan 8.360 nan 0.000 0.466 203 G N 1.162 109.694 108.800 -0.447 0.000 2.418 203 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 203 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 203 G C 1.718 176.304 174.900 -0.524 0.000 1.158 203 G CA 0.648 45.438 45.100 -0.517 0.000 0.771 203 G HN 0.249 nan 8.290 nan 0.000 0.545 204 I N 1.099 121.354 120.570 -0.525 0.000 2.353 204 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 204 I C 3.244 179.176 176.117 -0.307 0.000 1.119 204 I CA 0.731 61.743 61.300 -0.480 0.000 1.417 204 I CB -0.132 37.452 38.000 -0.694 0.000 1.078 204 I HN 0.235 nan 8.210 nan 0.000 0.421 205 A N 1.164 123.688 122.820 -0.493 0.000 1.902 205 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 205 A C 2.381 179.899 177.584 -0.110 0.000 1.181 205 A CA 1.475 53.371 52.037 -0.235 0.000 0.623 205 A CB -0.536 18.205 19.000 -0.432 0.000 0.818 205 A HN 0.298 nan 8.150 nan 0.000 0.443 206 R N -2.108 118.083 120.500 -0.514 0.000 2.082 206 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 206 R C 2.176 178.418 176.300 -0.097 0.000 1.136 206 R CA 1.763 57.678 56.100 -0.308 0.000 0.935 206 R CB -0.776 29.248 30.300 -0.460 0.000 0.842 206 R HN 0.627 nan 8.270 nan 0.000 0.430 207 Y N 0.494 120.597 120.300 -0.329 0.000 2.173 207 Y HA -0.280 4.269 4.550 -0.000 0.000 0.282 207 Y C 1.512 177.160 175.900 -0.421 0.000 1.192 207 Y CA 1.715 59.564 58.100 -0.419 0.000 1.176 207 Y CB -0.124 37.952 38.460 -0.641 0.000 0.969 207 Y HN -0.023 nan 8.280 nan 0.000 0.519 208 F N -2.316 117.679 119.950 0.075 0.000 2.749 208 F HA 0.100 4.627 4.527 -0.000 0.000 0.300 208 F C 1.981 177.808 175.800 0.044 0.000 1.103 208 F CA 0.923 58.953 58.000 0.050 0.000 1.342 208 F CB 0.047 39.090 39.000 0.073 0.000 1.098 208 F HN -0.110 nan 8.300 nan 0.000 0.586 209 T N -0.893 113.817 114.554 0.259 0.000 3.125 209 T HA 0.056 4.406 4.350 -0.000 0.000 0.252 209 T C 1.751 176.592 174.700 0.235 0.000 0.981 209 T CA 0.054 62.330 62.100 0.293 0.000 1.069 209 T CB -0.413 68.821 68.868 0.609 0.000 1.091 209 T HN -0.023 nan 8.240 nan 0.000 0.460 210 L N 2.282 123.669 121.223 0.273 0.000 2.011 210 L HA -0.159 4.181 4.340 -0.000 0.000 0.225 210 L C 1.839 178.757 176.870 0.080 0.000 1.084 210 L CA 2.037 56.997 54.840 0.199 0.000 0.791 210 L CB -0.412 41.748 42.059 0.168 0.000 0.898 210 L HN 0.130 nan 8.230 nan 0.000 0.440 211 K N -1.061 119.349 120.400 0.017 0.000 2.486 211 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 211 K C 0.973 177.569 176.600 -0.006 0.000 1.033 211 K CA 0.860 57.139 56.287 -0.012 0.000 1.004 211 K CB -0.132 32.331 32.500 -0.061 0.000 0.798 211 K HN 0.551 nan 8.250 nan 0.000 0.495 212 S N -0.473 115.234 115.700 0.012 0.000 2.711 212 S HA 0.219 4.689 4.470 -0.000 0.000 0.247 212 S C 1.061 175.663 174.600 0.004 0.000 1.079 212 S CA -0.522 57.681 58.200 0.005 0.000 1.050 212 S CB 0.253 63.456 63.200 0.006 0.000 0.885 212 S HN -0.010 nan 8.310 nan 0.000 0.498 213 M N 1.908 121.515 119.600 0.011 0.000 2.476 213 M HA 0.047 4.527 4.480 -0.000 0.000 0.262 213 M C 1.061 177.355 176.300 -0.010 0.000 1.079 213 M CA 0.564 55.864 55.300 -0.001 0.000 1.104 213 M CB -1.156 31.451 32.600 0.012 0.000 1.409 213 M HN 0.377 nan 8.290 nan 0.000 0.467 214 D N 1.473 121.869 120.400 -0.007 0.000 2.116 214 D HA -0.195 4.445 4.640 -0.000 0.000 0.193 214 D C 1.119 177.411 176.300 -0.012 0.000 0.998 214 D CA 1.775 55.770 54.000 -0.009 0.000 0.836 214 D CB -0.283 40.513 40.800 -0.007 0.000 0.951 214 D HN 0.537 nan 8.370 nan 0.000 0.449 215 D N 0.184 120.574 120.400 -0.016 0.000 2.328 215 D HA -0.022 4.618 4.640 -0.000 0.000 0.226 215 D C 0.240 176.524 176.300 -0.026 0.000 1.066 215 D CA -0.016 53.973 54.000 -0.019 0.000 0.861 215 D CB 0.117 40.906 40.800 -0.019 0.000 0.912 215 D HN -0.085 nan 8.370 nan 0.000 0.521 216 K N 0.268 120.649 120.400 -0.032 0.000 2.218 216 K HA 0.421 4.741 4.320 -0.000 0.000 0.276 216 K C -0.608 175.976 176.600 -0.026 0.000 1.022 216 K CA -0.480 55.780 56.287 -0.044 0.000 0.946 216 K CB 1.987 34.443 32.500 -0.073 0.000 1.000 216 K HN -0.147 nan 8.250 nan 0.000 0.468 217 V N 3.405 123.305 119.914 -0.023 0.000 2.482 217 V HA 0.203 4.323 4.120 -0.000 0.000 0.295 217 V C -0.567 175.531 176.094 0.007 0.000 1.026 217 V CA -1.190 61.106 62.300 -0.007 0.000 0.856 217 V CB 1.838 33.654 31.823 -0.011 0.000 1.001 217 V HN 0.459 nan 8.190 nan 0.000 0.424 218 V N 4.823 124.757 119.914 0.035 0.000 2.557 218 V HA 0.342 4.462 4.120 -0.000 0.000 0.301 218 V C 1.558 177.652 176.094 0.001 0.000 1.026 218 V CA 1.865 64.200 62.300 0.058 0.000 1.137 218 V CB 0.395 32.273 31.823 0.092 0.000 0.917 218 V HN 1.364 nan 8.190 nan 0.000 0.484 219 G N 4.125 112.908 108.800 -0.028 0.000 2.179 219 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 219 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 219 G C 1.090 175.971 174.900 -0.032 0.000 0.977 219 G CA 0.945 46.018 45.100 -0.045 0.000 0.641 219 G HN 1.189 nan 8.290 nan 0.000 0.533 220 S N 0.712 116.397 115.700 -0.026 0.000 2.447 220 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 220 S C 1.738 176.320 174.600 -0.031 0.000 1.006 220 S CA 1.622 59.806 58.200 -0.026 0.000 0.957 220 S CB -0.277 62.908 63.200 -0.025 0.000 0.773 220 S HN 1.173 nan 8.310 nan 0.000 0.507 221 N N 0.913 119.592 118.700 -0.036 0.000 2.236 221 N HA 0.100 4.840 4.740 -0.000 0.000 0.196 221 N C 0.022 175.510 175.510 -0.036 0.000 1.114 221 N CA -0.036 52.991 53.050 -0.038 0.000 0.859 221 N CB -0.562 37.898 38.487 -0.046 0.000 0.982 221 N HN 0.477 nan 8.380 nan 0.000 0.493 222 K N -0.865 119.515 120.400 -0.034 0.000 3.088 222 K HA -0.246 4.074 4.320 -0.000 0.000 0.273 222 K C -0.715 175.871 176.600 -0.024 0.000 1.111 222 K CA 0.935 57.205 56.287 -0.030 0.000 0.803 222 K CB -1.580 30.905 32.500 -0.025 0.000 1.226 222 K HN 0.460 nan 8.250 nan 0.000 0.485 223 K N 0.241 120.626 120.400 -0.025 0.000 2.306 223 K HA 0.648 4.968 4.320 -0.000 0.000 0.236 223 K C -0.094 176.511 176.600 0.009 0.000 1.013 223 K CA -0.961 55.324 56.287 -0.003 0.000 0.857 223 K CB 1.612 34.105 32.500 -0.011 0.000 1.214 223 K HN -0.019 nan 8.250 nan 0.000 0.449 224 I N 1.890 122.496 120.570 0.059 0.000 2.465 224 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 224 I C -0.614 175.593 176.117 0.151 0.000 1.014 224 I CA -1.038 60.305 61.300 0.071 0.000 1.093 224 I CB 1.690 39.724 38.000 0.057 0.000 1.267 224 I HN 0.439 nan 8.210 nan 0.000 0.431 225 N N 6.650 125.459 118.700 0.182 0.000 2.518 225 N HA 0.466 5.206 4.740 -0.000 0.000 0.283 225 N C -0.761 174.902 175.510 0.254 0.000 1.119 225 N CA -0.288 52.918 53.050 0.261 0.000 0.983 225 N CB 1.941 40.657 38.487 0.382 0.000 1.139 225 N HN 0.337 nan 8.380 nan 0.000 0.465 226 I N 1.893 122.617 120.570 0.257 0.000 2.418 226 I HA 0.265 4.434 4.170 -0.000 0.000 0.287 226 I C -0.377 175.846 176.117 0.176 0.000 1.008 226 I CA -0.739 60.682 61.300 0.201 0.000 1.104 226 I CB 1.537 39.644 38.000 0.179 0.000 1.264 226 I HN 0.036 nan 8.210 nan 0.000 0.438 227 V N 8.999 128.969 119.914 0.093 0.000 2.313 227 V HA 0.265 4.385 4.120 -0.000 0.000 0.278 227 V C -1.275 174.763 176.094 -0.093 0.000 1.017 227 V CA -1.005 61.281 62.300 -0.023 0.000 0.823 227 V CB 1.600 33.321 31.823 -0.170 0.000 1.010 227 V HN 0.580 nan 8.190 nan 0.000 0.443 228 P HA 0.067 nan 4.420 nan 0.000 0.220 228 P C 0.815 177.842 177.300 -0.456 0.000 1.152 228 P CA 1.504 64.497 63.100 -0.179 0.000 0.812 228 P CB 0.555 32.272 31.700 0.028 0.000 0.792 229 G N 0.579 108.809 108.800 -0.950 0.000 2.750 229 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.228 229 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.228 229 G C -0.793 173.180 174.900 -1.544 0.000 1.367 229 G CA -0.421 43.719 45.100 -1.599 0.000 0.871 229 G HN 0.276 nan 8.290 nan 0.000 0.560 230 F N 1.670 120.869 119.950 -1.252 0.000 2.519 230 F HA 0.469 4.996 4.527 -0.000 0.000 0.381 230 F C 0.575 176.173 175.800 -0.338 0.000 1.076 230 F CA 0.952 58.512 58.000 -0.733 0.000 1.095 230 F CB 0.502 39.220 39.000 -0.469 0.000 1.046 230 F HN 0.676 nan 8.300 nan 0.000 0.559 231 E N 3.258 123.261 120.200 -0.328 0.000 2.263 231 E HA 0.296 4.645 4.350 -0.000 0.000 0.268 231 E C -0.138 176.391 176.600 -0.117 0.000 0.884 231 E CA -0.427 55.850 56.400 -0.205 0.000 0.766 231 E CB 1.391 30.802 29.700 -0.482 0.000 1.196 231 E HN 0.453 nan 8.360 nan 0.000 0.416 232 T N 0.884 115.373 114.554 -0.108 0.000 3.182 232 T HA 0.309 4.659 4.350 -0.000 0.000 0.277 232 T C -0.436 174.349 174.700 0.141 0.000 1.013 232 T CA -0.175 61.928 62.100 0.004 0.000 0.900 232 T CB -0.320 68.229 68.868 -0.531 0.000 1.098 232 T HN 0.251 nan 8.240 nan 0.000 0.543 233 Y N 1.193 121.623 120.300 0.217 0.000 2.328 233 Y HA 0.533 5.083 4.550 -0.000 0.000 0.333 233 Y C 1.145 177.171 175.900 0.210 0.000 0.958 233 Y CA -1.933 56.285 58.100 0.196 0.000 1.167 233 Y CB 1.405 39.888 38.460 0.038 0.000 1.151 233 Y HN -0.025 nan 8.280 nan 0.000 0.470 234 L N 2.042 123.536 121.223 0.452 0.000 2.083 234 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 234 L C 2.280 179.318 176.870 0.280 0.000 1.083 234 L CA 1.621 56.700 54.840 0.400 0.000 0.752 234 L CB -0.536 41.681 42.059 0.263 0.000 0.899 234 L HN 0.929 nan 8.230 nan 0.000 0.433 235 G N -0.150 108.756 108.800 0.176 0.000 2.462 235 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 235 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 235 G C 1.388 176.297 174.900 0.016 0.000 1.121 235 G CA 0.658 45.801 45.100 0.073 0.000 0.758 235 G HN 0.324 nan 8.290 nan 0.000 0.559 236 N N 0.415 119.098 118.700 -0.028 0.000 2.142 236 N HA -0.040 4.700 4.740 -0.000 0.000 0.186 236 N C 1.816 177.204 175.510 -0.204 0.000 1.023 236 N CA 0.699 53.640 53.050 -0.181 0.000 0.852 236 N CB -0.477 37.842 38.487 -0.280 0.000 0.998 236 N HN 0.329 nan 8.380 nan 0.000 0.424 237 F N 1.538 121.483 119.950 -0.008 0.000 2.102 237 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 237 F C 2.392 178.173 175.800 -0.033 0.000 1.105 237 F CA 1.062 59.048 58.000 -0.024 0.000 1.239 237 F CB -0.365 38.630 39.000 -0.008 0.000 0.991 237 F HN -0.038 nan 8.300 nan 0.000 0.474 238 R N -0.334 120.272 120.500 0.177 0.000 2.081 238 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 238 R C 2.277 178.588 176.300 0.019 0.000 1.131 238 R CA 1.381 57.534 56.100 0.088 0.000 0.960 238 R CB -1.049 29.297 30.300 0.077 0.000 0.856 238 R HN 0.221 nan 8.270 nan 0.000 0.436 239 V N 1.314 121.216 119.914 -0.020 0.000 2.515 239 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 239 V C 1.935 177.978 176.094 -0.085 0.000 1.058 239 V CA 1.394 63.660 62.300 -0.056 0.000 1.064 239 V CB -0.222 31.546 31.823 -0.091 0.000 0.675 239 V HN 0.234 nan 8.190 nan 0.000 0.461 240 I N 0.021 120.527 120.570 -0.107 0.000 2.233 240 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 240 I C 2.432 178.434 176.117 -0.192 0.000 1.093 240 I CA 1.601 62.818 61.300 -0.137 0.000 1.380 240 I CB -1.231 36.682 38.000 -0.146 0.000 1.067 240 I HN 0.352 nan 8.210 nan 0.000 0.413 241 K N 0.325 120.614 120.400 -0.185 0.000 2.057 241 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 241 K C 2.231 178.748 176.600 -0.138 0.000 1.049 241 K CA 1.285 57.403 56.287 -0.282 0.000 0.931 241 K CB -0.207 32.293 32.500 -0.001 0.000 0.714 241 K HN 0.189 nan 8.250 nan 0.000 0.440 242 R N 1.101 121.574 120.500 -0.046 0.000 2.073 242 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 242 R C 2.253 178.550 176.300 -0.005 0.000 1.134 242 R CA 1.670 57.769 56.100 -0.003 0.000 0.952 242 R CB -0.145 30.158 30.300 0.006 0.000 0.850 242 R HN 0.137 nan 8.270 nan 0.000 0.433 243 M N 0.546 120.133 119.600 -0.022 0.000 2.086 243 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 243 M C 2.364 178.667 176.300 0.005 0.000 1.067 243 M CA 1.722 57.027 55.300 0.008 0.000 1.116 243 M CB -0.317 32.297 32.600 0.023 0.000 1.348 243 M HN 0.218 nan 8.290 nan 0.000 0.407 244 L N -0.826 120.365 121.223 -0.053 0.000 2.046 244 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 244 L C 2.573 179.474 176.870 0.052 0.000 1.077 244 L CA 1.072 55.884 54.840 -0.047 0.000 0.747 244 L CB -0.702 41.220 42.059 -0.228 0.000 0.896 244 L HN 0.262 nan 8.230 nan 0.000 0.432 245 S N -0.716 115.031 115.700 0.078 0.000 2.419 245 S HA -0.217 4.253 4.470 -0.000 0.000 0.233 245 S C 1.862 176.511 174.600 0.082 0.000 1.016 245 S CA 1.165 59.452 58.200 0.145 0.000 0.974 245 S CB -0.137 63.159 63.200 0.159 0.000 0.786 245 S HN 0.403 nan 8.310 nan 0.000 0.492 246 E N 0.608 120.841 120.200 0.056 0.000 2.204 246 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 246 E C 1.658 178.283 176.600 0.042 0.000 0.989 246 E CA 0.768 57.196 56.400 0.046 0.000 0.824 246 E CB -0.012 29.714 29.700 0.044 0.000 0.756 246 E HN 0.478 nan 8.360 nan 0.000 0.477 247 M N -1.091 118.534 119.600 0.041 0.000 2.556 247 M HA 0.151 4.631 4.480 -0.000 0.000 0.245 247 M C 0.976 177.296 176.300 0.034 0.000 1.128 247 M CA 0.643 55.962 55.300 0.031 0.000 1.069 247 M CB 0.912 33.522 32.600 0.016 0.000 1.469 247 M HN 0.244 nan 8.290 nan 0.000 0.494 248 G N 1.695 110.525 108.800 0.051 0.000 2.225 248 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.264 248 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.264 248 G C -0.261 174.672 174.900 0.055 0.000 1.060 248 G CA -0.274 44.857 45.100 0.051 0.000 0.833 248 G HN 0.321 nan 8.290 nan 0.000 0.498 249 V N 0.338 120.302 119.914 0.085 0.000 2.427 249 V HA 0.714 4.834 4.120 -0.000 0.000 0.286 249 V C 1.237 177.428 176.094 0.162 0.000 1.034 249 V CA -0.025 62.329 62.300 0.090 0.000 0.893 249 V CB 1.696 33.558 31.823 0.066 0.000 0.982 249 V HN 0.767 nan 8.190 nan 0.000 0.452 250 G N 4.511 113.365 108.800 0.090 0.000 2.380 250 G HA2 0.466 4.426 3.960 -0.000 0.000 0.262 250 G HA3 0.466 4.426 3.960 -0.000 0.000 0.262 250 G C -0.891 174.080 174.900 0.118 0.000 1.243 250 G CA 0.046 45.173 45.100 0.046 0.000 0.865 250 G HN 0.853 nan 8.290 nan 0.000 0.513 251 Y N -0.583 119.727 120.300 0.016 0.000 2.644 251 Y HA 0.809 5.359 4.550 -0.000 0.000 0.338 251 Y C -0.443 175.480 175.900 0.039 0.000 1.119 251 Y CA -1.794 56.325 58.100 0.033 0.000 1.060 251 Y CB 1.734 40.224 38.460 0.049 0.000 1.294 251 Y HN 0.486 nan 8.280 nan 0.000 0.472 252 S N 2.029 117.850 115.700 0.201 0.000 2.776 252 S HA 0.448 4.918 4.470 -0.000 0.000 0.284 252 S C -2.075 172.687 174.600 0.270 0.000 1.160 252 S CA -0.538 57.731 58.200 0.115 0.000 1.051 252 S CB 0.537 63.776 63.200 0.064 0.000 1.037 252 S HN 0.759 nan 8.310 nan 0.000 0.485 253 L N 6.717 128.117 121.223 0.295 0.000 2.283 253 L HA 0.524 4.864 4.340 -0.000 0.000 0.287 253 L C -0.938 176.032 176.870 0.167 0.000 1.073 253 L CA 0.015 55.011 54.840 0.260 0.000 0.822 253 L CB 0.280 42.499 42.059 0.266 0.000 1.186 253 L HN 0.640 nan 8.230 nan 0.000 0.436 254 L N 5.603 126.963 121.223 0.229 0.000 2.268 254 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 254 L C 0.451 177.434 176.870 0.188 0.000 1.064 254 L CA -0.502 54.503 54.840 0.276 0.000 0.824 254 L CB 0.487 42.908 42.059 0.603 0.000 1.202 254 L HN 0.874 nan 8.230 nan 0.000 0.433 255 S N 2.459 117.997 115.700 -0.270 0.000 3.817 255 S HA -0.142 4.328 4.470 -0.000 0.000 0.752 255 S C -0.841 173.650 174.600 -0.182 0.000 0.479 255 S CA -0.353 57.584 58.200 -0.438 0.000 1.425 255 S CB -0.515 62.731 63.200 0.078 0.000 0.808 255 S HN 0.873 nan 8.310 nan 0.000 1.047 256 D N 5.242 125.435 120.400 -0.345 0.000 2.420 256 D HA 0.510 5.150 4.640 -0.000 0.000 0.255 256 D C -1.311 174.714 176.300 -0.458 0.000 1.185 256 D CA -1.821 51.948 54.000 -0.385 0.000 0.904 256 D CB 1.463 42.137 40.800 -0.211 0.000 1.102 256 D HN 0.275 nan 8.370 nan 0.000 0.534 257 P HA 0.052 nan 4.420 nan 0.000 0.262 257 P C 0.723 177.726 177.300 -0.495 0.000 1.304 257 P CA 0.156 62.961 63.100 -0.491 0.000 0.859 257 P CB 0.293 31.728 31.700 -0.441 0.000 1.310 258 E N 0.590 120.439 120.200 -0.584 0.000 2.160 258 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 258 E C 1.583 178.077 176.600 -0.176 0.000 0.991 258 E CA 1.238 57.443 56.400 -0.326 0.000 0.810 258 E CB -0.546 29.032 29.700 -0.204 0.000 0.742 258 E HN 0.092 nan 8.360 nan 0.000 0.466 259 E N 0.547 120.647 120.200 -0.166 0.000 2.076 259 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 259 E C 2.383 178.927 176.600 -0.093 0.000 0.979 259 E CA 1.437 57.778 56.400 -0.098 0.000 0.807 259 E CB 0.080 29.734 29.700 -0.077 0.000 0.761 259 E HN 0.390 nan 8.360 nan 0.000 0.454 260 V N 0.578 120.416 119.914 -0.125 0.000 2.970 260 V HA -0.086 4.034 4.120 -0.000 0.000 0.260 260 V C 2.167 178.181 176.094 -0.133 0.000 1.100 260 V CA 0.926 63.163 62.300 -0.105 0.000 1.122 260 V CB -0.555 31.209 31.823 -0.098 0.000 0.721 260 V HN 0.114 nan 8.190 nan 0.000 0.483 261 L N 0.109 121.209 121.223 -0.207 0.000 2.628 261 L HA 0.341 4.681 4.340 -0.000 0.000 0.229 261 L C 0.667 177.489 176.870 -0.079 0.000 1.137 261 L CA 0.481 55.160 54.840 -0.270 0.000 0.909 261 L CB 0.133 41.837 42.059 -0.593 0.000 1.137 261 L HN 0.325 nan 8.230 nan 0.000 0.470 262 D N -0.055 120.328 120.400 -0.027 0.000 3.216 262 D HA 0.029 4.669 4.640 -0.000 0.000 0.348 262 D C 0.425 176.741 176.300 0.028 0.000 1.407 262 D CA -0.136 53.890 54.000 0.043 0.000 0.744 262 D CB 0.415 41.247 40.800 0.053 0.000 1.264 262 D HN 0.034 nan 8.370 nan 0.000 0.543 263 T N -1.004 113.566 114.554 0.028 0.000 2.813 263 T HA 0.535 4.885 4.350 -0.000 0.000 0.297 263 T C -2.028 172.698 174.700 0.042 0.000 1.036 263 T CA -1.047 61.069 62.100 0.027 0.000 1.044 263 T CB 1.135 70.020 68.868 0.029 0.000 0.993 263 T HN 0.047 nan 8.240 nan 0.000 0.535 264 P HA 0.439 nan 4.420 nan 0.000 0.288 264 P C -1.166 176.163 177.300 0.048 0.000 1.267 264 P CA -0.742 62.380 63.100 0.035 0.000 0.815 264 P CB 1.019 32.733 31.700 0.023 0.000 0.989 265 A N 2.689 125.538 122.820 0.048 0.000 2.666 265 A HA 0.305 4.625 4.320 -0.000 0.000 0.312 265 A C 0.343 177.953 177.584 0.044 0.000 1.471 265 A CA -0.303 51.767 52.037 0.054 0.000 1.134 265 A CB -0.717 18.314 19.000 0.052 0.000 1.129 265 A HN 0.573 nan 8.150 nan 0.000 0.539 266 D N 1.158 121.585 120.400 0.046 0.000 2.599 266 D HA 0.299 4.939 4.640 -0.000 0.000 0.249 266 D C 0.847 177.170 176.300 0.039 0.000 1.313 266 D CA 0.370 54.391 54.000 0.036 0.000 0.815 266 D CB -0.292 40.525 40.800 0.029 0.000 1.077 266 D HN 1.023 nan 8.370 nan 0.000 0.492 267 G N 0.349 109.178 108.800 0.049 0.000 2.175 267 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 267 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 267 G C -0.036 174.903 174.900 0.064 0.000 0.982 267 G CA 0.161 45.291 45.100 0.050 0.000 0.641 267 G HN 0.601 nan 8.290 nan 0.000 0.527 268 Q N -0.596 119.248 119.800 0.075 0.000 2.347 268 Q HA 0.642 4.982 4.340 -0.000 0.000 0.271 268 Q C -1.421 174.663 176.000 0.140 0.000 1.064 268 Q CA -1.200 54.655 55.803 0.087 0.000 0.800 268 Q CB 1.477 30.242 28.738 0.045 0.000 1.304 268 Q HN 0.355 nan 8.270 nan 0.000 0.438 269 F N 4.051 124.004 119.950 0.006 0.000 2.405 269 F HA 0.469 4.996 4.527 -0.000 0.000 0.355 269 F C -0.937 174.856 175.800 -0.013 0.000 1.121 269 F CA -0.650 57.347 58.000 -0.004 0.000 1.112 269 F CB 0.740 39.737 39.000 -0.004 0.000 1.126 269 F HN 0.454 nan 8.300 nan 0.000 0.481 270 R N 7.591 127.768 120.500 -0.539 0.000 2.215 270 R HA 0.235 4.575 4.340 -0.000 0.000 0.337 270 R C 1.134 176.889 176.300 -0.910 0.000 1.010 270 R CA -0.435 55.311 56.100 -0.590 0.000 0.871 270 R CB 1.275 31.439 30.300 -0.227 0.000 1.134 270 R HN 0.935 nan 8.270 nan 0.000 0.477 271 M N 2.223 121.136 119.600 -1.145 0.000 2.213 271 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 271 M C -0.579 175.283 176.300 -0.729 0.000 1.062 271 M CA 1.768 56.474 55.300 -0.991 0.000 1.105 271 M CB 0.387 32.393 32.600 -0.989 0.000 1.385 271 M HN 0.404 nan 8.290 nan 0.000 0.417 272 Y N -0.418 119.775 120.300 -0.178 0.000 2.524 272 Y HA 0.722 5.272 4.550 -0.000 0.000 0.344 272 Y C -0.448 175.393 175.900 -0.099 0.000 1.012 272 Y CA -1.366 56.676 58.100 -0.097 0.000 1.068 272 Y CB 1.602 40.031 38.460 -0.051 0.000 1.249 272 Y HN 0.036 nan 8.280 nan 0.000 0.468 273 A N 0.998 123.868 122.820 0.082 0.000 2.532 273 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 273 A C 0.223 177.798 177.584 -0.014 0.000 1.058 273 A CA -0.231 51.812 52.037 0.011 0.000 0.729 273 A CB 0.598 19.582 19.000 -0.026 0.000 1.285 273 A HN 1.588 nan 8.150 nan 0.000 0.396 274 G N 1.452 110.238 108.800 -0.023 0.000 2.634 274 G HA2 0.410 4.370 3.960 -0.000 0.000 0.309 274 G HA3 0.410 4.370 3.960 -0.000 0.000 0.309 274 G C 1.662 176.526 174.900 -0.059 0.000 1.265 274 G CA 1.613 46.686 45.100 -0.045 0.000 0.998 274 G HN 3.239 nan 8.290 nan 0.000 0.551 275 G N -3.346 105.396 108.800 -0.098 0.000 2.733 275 G HA2 0.332 4.292 3.960 -0.000 0.000 0.686 275 G HA3 0.332 4.292 3.960 -0.000 0.000 0.686 275 G C -0.050 174.771 174.900 -0.131 0.000 1.373 275 G CA 0.406 45.425 45.100 -0.135 0.000 0.838 275 G HN 1.952 nan 8.290 nan 0.000 0.588 276 T N 2.024 116.449 114.554 -0.215 0.000 2.902 276 T HA 0.468 4.818 4.350 -0.000 0.000 0.301 276 T C 1.422 176.092 174.700 -0.051 0.000 1.012 276 T CA 0.913 62.914 62.100 -0.165 0.000 1.151 276 T CB 0.462 69.135 68.868 -0.325 0.000 0.946 276 T HN 1.449 nan 8.240 nan 0.000 0.542 277 T N 1.886 116.410 114.554 -0.051 0.000 2.882 277 T HA 0.192 4.542 4.350 -0.000 0.000 0.287 277 T C 1.314 175.940 174.700 -0.122 0.000 1.014 277 T CA -0.736 61.323 62.100 -0.068 0.000 1.049 277 T CB 0.944 69.765 68.868 -0.078 0.000 1.001 277 T HN 0.589 nan 8.240 nan 0.000 0.525 278 Q N -0.049 119.624 119.800 -0.211 0.000 2.119 278 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 278 Q C 2.197 177.968 176.000 -0.381 0.000 0.972 278 Q CA 1.144 56.664 55.803 -0.472 0.000 0.847 278 Q CB -0.000 28.497 28.738 -0.401 0.000 0.903 278 Q HN 0.668 nan 8.270 nan 0.000 0.433 279 E N 0.955 121.035 120.200 -0.200 0.000 2.153 279 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 279 E C 1.629 178.155 176.600 -0.124 0.000 0.988 279 E CA 0.966 57.283 56.400 -0.137 0.000 0.811 279 E CB 0.035 29.681 29.700 -0.090 0.000 0.746 279 E HN 0.445 nan 8.360 nan 0.000 0.466 280 E N -0.175 119.958 120.200 -0.112 0.000 2.106 280 E HA -0.142 4.207 4.350 -0.000 0.000 0.192 280 E C 1.919 178.485 176.600 -0.055 0.000 0.984 280 E CA 0.808 57.167 56.400 -0.069 0.000 0.806 280 E CB -0.044 29.633 29.700 -0.039 0.000 0.750 280 E HN 0.058 nan 8.360 nan 0.000 0.458 281 M N 0.986 120.528 119.600 -0.096 0.000 2.200 281 M HA -0.079 4.400 4.480 -0.000 0.000 0.265 281 M C 1.648 177.909 176.300 -0.064 0.000 1.066 281 M CA 1.640 56.913 55.300 -0.046 0.000 1.127 281 M CB 0.192 32.699 32.600 -0.155 0.000 1.379 281 M HN -0.200 nan 8.290 nan 0.000 0.420 282 K N -0.596 119.723 120.400 -0.134 0.000 2.097 282 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 282 K C 1.238 177.786 176.600 -0.087 0.000 1.049 282 K CA 1.545 57.808 56.287 -0.040 0.000 0.933 282 K CB -0.227 32.255 32.500 -0.029 0.000 0.717 282 K HN 0.346 nan 8.250 nan 0.000 0.442 283 D N -0.091 120.243 120.400 -0.111 0.000 2.340 283 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 283 D C 1.395 177.582 176.300 -0.188 0.000 1.039 283 D CA 0.278 54.203 54.000 -0.126 0.000 0.866 283 D CB 0.275 41.020 40.800 -0.091 0.000 0.913 283 D HN 0.160 nan 8.370 nan 0.000 0.523 284 A N 1.137 123.801 122.820 -0.261 0.000 1.908 284 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 284 A C -0.158 177.025 177.584 -0.669 0.000 1.181 284 A CA 1.055 52.845 52.037 -0.410 0.000 0.627 284 A CB -1.490 17.226 19.000 -0.473 0.000 0.818 284 A HN 0.265 nan 8.150 nan 0.000 0.445 285 P HA -0.101 nan 4.420 nan 0.000 0.223 285 P C 0.766 177.949 177.300 -0.194 0.000 1.144 285 P CA 0.980 63.578 63.100 -0.837 0.000 0.783 285 P CB -0.119 31.146 31.700 -0.725 0.000 0.771 286 N N -0.708 117.903 118.700 -0.149 0.000 2.494 286 N HA 0.026 4.766 4.740 -0.000 0.000 0.182 286 N C 0.807 176.310 175.510 -0.011 0.000 1.076 286 N CA 0.209 53.230 53.050 -0.049 0.000 0.908 286 N CB -0.399 38.047 38.487 -0.068 0.000 0.967 286 N HN 0.081 nan 8.380 nan 0.000 0.449 287 A N 0.473 123.298 122.820 0.008 0.000 2.448 287 A HA 0.122 4.442 4.320 -0.000 0.000 0.239 287 A C 1.552 179.027 177.584 -0.182 0.000 1.080 287 A CA -0.207 51.806 52.037 -0.041 0.000 0.779 287 A CB 0.224 19.241 19.000 0.027 0.000 1.026 287 A HN 0.188 nan 8.150 nan 0.000 0.499 288 L N 0.347 121.472 121.223 -0.164 0.000 2.083 288 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 288 L C 1.117 177.789 176.870 -0.331 0.000 1.083 288 L CA 1.228 55.958 54.840 -0.184 0.000 0.752 288 L CB -0.337 41.659 42.059 -0.104 0.000 0.899 288 L HN 0.833 nan 8.230 nan 0.000 0.433 289 N N -2.401 116.068 118.700 -0.383 0.000 3.355 289 N HA 0.211 4.951 4.740 -0.000 0.000 0.238 289 N C -1.457 173.997 175.510 -0.094 0.000 1.466 289 N CA -0.346 52.492 53.050 -0.354 0.000 0.882 289 N CB 1.742 40.149 38.487 -0.133 0.000 1.406 289 N HN -0.352 nan 8.380 nan 0.000 0.500 290 T N 0.397 115.029 114.554 0.131 0.000 2.881 290 T HA 0.554 4.904 4.350 -0.000 0.000 0.290 290 T C -0.951 173.851 174.700 0.170 0.000 1.000 290 T CA -0.332 61.938 62.100 0.284 0.000 0.978 290 T CB 1.436 70.624 68.868 0.534 0.000 0.997 290 T HN 0.179 nan 8.240 nan 0.000 0.443 291 V N 4.818 124.823 119.914 0.152 0.000 2.417 291 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 291 V C -0.393 175.756 176.094 0.091 0.000 1.024 291 V CA -0.841 61.526 62.300 0.112 0.000 0.861 291 V CB 1.556 33.461 31.823 0.137 0.000 0.985 291 V HN 0.710 nan 8.190 nan 0.000 0.436 292 L N 5.689 126.930 121.223 0.030 0.000 2.262 292 L HA 0.402 4.742 4.340 -0.000 0.000 0.288 292 L C 1.115 177.936 176.870 -0.081 0.000 1.035 292 L CA -0.373 54.440 54.840 -0.046 0.000 0.820 292 L CB 1.276 43.285 42.059 -0.083 0.000 1.204 292 L HN 0.604 nan 8.230 nan 0.000 0.424 293 L N 2.262 123.416 121.223 -0.115 0.000 2.141 293 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 293 L C 0.682 177.450 176.870 -0.170 0.000 1.094 293 L CA 1.307 56.055 54.840 -0.153 0.000 0.763 293 L CB -0.150 41.792 42.059 -0.196 0.000 0.908 293 L HN 0.724 nan 8.230 nan 0.000 0.437 294 Q N 0.002 119.656 119.800 -0.244 0.000 2.907 294 Q HA 0.183 4.523 4.340 -0.000 0.000 0.262 294 Q C -1.761 174.056 176.000 -0.306 0.000 0.997 294 Q CA -1.537 54.122 55.803 -0.241 0.000 0.797 294 Q CB 1.294 29.829 28.738 -0.339 0.000 1.228 294 Q HN 0.049 nan 8.270 nan 0.000 0.466 295 P HA -0.193 nan 4.420 nan 0.000 0.217 295 P C 0.352 177.477 177.300 -0.291 0.000 1.148 295 P CA 1.316 64.253 63.100 -0.271 0.000 0.828 295 P CB 0.115 31.620 31.700 -0.325 0.000 0.783 296 W N 0.380 121.649 121.300 -0.051 0.000 2.825 296 W HA -0.045 4.615 4.660 -0.000 0.000 0.243 296 W C 2.072 178.615 176.519 0.040 0.000 1.293 296 W CA 0.779 58.145 57.345 0.035 0.000 1.403 296 W CB -0.745 28.799 29.460 0.139 0.000 1.134 296 W HN 0.331 nan 8.180 nan 0.000 0.666 297 H N -2.615 116.522 119.070 0.112 0.000 2.750 297 H HA 0.330 4.886 4.556 -0.000 0.000 0.252 297 H C 0.252 175.608 175.328 0.047 0.000 1.176 297 H CA -0.165 55.915 56.048 0.055 0.000 0.987 297 H CB -0.434 29.323 29.762 -0.007 0.000 1.810 297 H HN 0.165 nan 8.280 nan 0.000 0.630 298 L N 1.405 122.583 121.223 -0.074 0.000 3.209 298 L HA 0.257 4.597 4.340 -0.000 0.000 0.279 298 L C 0.924 177.788 176.870 -0.009 0.000 1.301 298 L CA -0.022 54.801 54.840 -0.027 0.000 1.004 298 L CB 0.748 42.718 42.059 -0.148 0.000 1.402 298 L HN 0.166 nan 8.230 nan 0.000 0.577 299 E N 0.613 120.820 120.200 0.011 0.000 2.072 299 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 299 E C 1.852 178.467 176.600 0.026 0.000 0.982 299 E CA 0.878 57.273 56.400 -0.009 0.000 0.803 299 E CB 0.292 29.993 29.700 0.001 0.000 0.755 299 E HN 0.346 nan 8.360 nan 0.000 0.453 300 K N 0.712 121.150 120.400 0.063 0.000 2.097 300 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 300 K C 2.063 178.716 176.600 0.089 0.000 1.050 300 K CA 1.457 57.785 56.287 0.068 0.000 0.938 300 K CB 0.040 32.581 32.500 0.068 0.000 0.718 300 K HN -0.040 nan 8.250 nan 0.000 0.442 301 T N 1.250 115.877 114.554 0.121 0.000 2.746 301 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 301 T C 1.685 176.445 174.700 0.099 0.000 1.039 301 T CA 1.525 63.727 62.100 0.168 0.000 1.142 301 T CB -0.090 68.932 68.868 0.258 0.000 0.866 301 T HN 0.329 nan 8.240 nan 0.000 0.444 302 K N 1.129 121.555 120.400 0.042 0.000 2.026 302 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 302 K C 2.396 178.987 176.600 -0.015 0.000 1.048 302 K CA 1.366 57.651 56.287 -0.003 0.000 0.929 302 K CB -0.123 32.354 32.500 -0.038 0.000 0.713 302 K HN 0.179 nan 8.250 nan 0.000 0.439 303 K N -0.156 120.247 120.400 0.006 0.000 2.103 303 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 303 K C 2.064 178.653 176.600 -0.019 0.000 1.048 303 K CA 1.496 57.782 56.287 -0.002 0.000 0.930 303 K CB -0.233 32.280 32.500 0.022 0.000 0.716 303 K HN 0.166 nan 8.250 nan 0.000 0.444 304 F N 1.010 120.878 119.950 -0.136 0.000 2.128 304 F HA -0.145 4.382 4.527 -0.000 0.000 0.295 304 F C 1.858 177.444 175.800 -0.357 0.000 1.100 304 F CA 1.072 58.944 58.000 -0.214 0.000 1.260 304 F CB -0.329 38.527 39.000 -0.240 0.000 1.009 304 F HN -0.226 nan 8.300 nan 0.000 0.476 305 V N 0.621 120.284 119.914 -0.418 0.000 2.490 305 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 305 V C 2.201 178.122 176.094 -0.288 0.000 1.061 305 V CA 2.302 64.229 62.300 -0.622 0.000 1.064 305 V CB -0.604 31.019 31.823 -0.333 0.000 0.670 305 V HN 0.394 nan 8.190 nan 0.000 0.461 306 E N -0.030 120.072 120.200 -0.163 0.000 2.051 306 E HA -0.064 4.286 4.350 -0.000 0.000 0.189 306 E C 2.332 178.869 176.600 -0.104 0.000 0.979 306 E CA 1.056 57.416 56.400 -0.067 0.000 0.803 306 E CB -0.402 29.277 29.700 -0.035 0.000 0.761 306 E HN 0.620 nan 8.360 nan 0.000 0.451 307 G N 0.451 109.152 108.800 -0.166 0.000 2.403 307 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 307 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 307 G C 1.548 176.322 174.900 -0.210 0.000 1.154 307 G CA 1.188 46.195 45.100 -0.155 0.000 0.784 307 G HN 0.164 nan 8.290 nan 0.000 0.538 308 T N -0.810 113.495 114.554 -0.415 0.000 3.004 308 T HA 0.022 4.372 4.350 -0.000 0.000 0.243 308 T C 1.883 176.514 174.700 -0.115 0.000 1.020 308 T CA 0.263 62.138 62.100 -0.375 0.000 1.145 308 T CB -0.057 68.337 68.868 -0.790 0.000 0.876 308 T HN 0.344 nan 8.240 nan 0.000 0.449 309 W N 1.949 122.972 121.300 -0.461 0.000 2.584 309 W HA 0.295 4.955 4.660 -0.000 0.000 0.264 309 W C 0.593 176.939 176.519 -0.289 0.000 1.264 309 W CA -0.179 56.903 57.345 -0.438 0.000 1.306 309 W CB -0.290 28.742 29.460 -0.712 0.000 1.110 309 W HN 0.130 nan 8.180 nan 0.000 0.606 310 K N -0.480 119.944 120.400 0.040 0.000 3.192 310 K HA -0.247 4.073 4.320 -0.000 0.000 0.278 310 K C -0.455 176.281 176.600 0.228 0.000 1.164 310 K CA 0.777 57.117 56.287 0.088 0.000 0.816 310 K CB -2.665 29.881 32.500 0.076 0.000 1.256 310 K HN 0.432 nan 8.250 nan 0.000 0.497 311 H N 0.813 119.958 119.070 0.125 0.000 2.525 311 H HA 0.189 4.745 4.556 -0.000 0.000 0.339 311 H C 0.281 175.648 175.328 0.064 0.000 1.109 311 H CA -0.554 55.566 56.048 0.120 0.000 1.352 311 H CB 0.816 30.706 29.762 0.214 0.000 1.461 311 H HN 0.067 nan 8.280 nan 0.000 0.533 312 E N 3.033 123.320 120.200 0.145 0.000 1.964 312 E HA 0.089 4.439 4.350 -0.000 0.000 0.264 312 E C -0.431 176.201 176.600 0.053 0.000 1.120 312 E CA -0.405 56.037 56.400 0.070 0.000 1.061 312 E CB 0.456 30.175 29.700 0.033 0.000 1.190 312 E HN 0.279 nan 8.360 nan 0.000 0.459 313 V N 4.113 124.070 119.914 0.071 0.000 2.506 313 V HA -0.043 4.077 4.120 -0.000 0.000 0.296 313 V C -1.793 174.302 176.094 0.003 0.000 1.004 313 V CA -0.833 61.496 62.300 0.047 0.000 1.150 313 V CB -0.537 31.310 31.823 0.040 0.000 0.911 313 V HN 0.430 nan 8.190 nan 0.000 0.476 314 P HA 0.112 nan 4.420 nan 0.000 0.269 314 P C -0.304 176.966 177.300 -0.049 0.000 1.209 314 P CA -0.350 62.733 63.100 -0.028 0.000 0.776 314 P CB 0.432 32.113 31.700 -0.030 0.000 0.876 315 K N 3.589 123.952 120.400 -0.062 0.000 2.183 315 K HA 0.286 4.606 4.320 -0.000 0.000 0.272 315 K C -1.015 175.521 176.600 -0.107 0.000 1.113 315 K CA -0.119 56.112 56.287 -0.094 0.000 0.949 315 K CB -0.682 31.768 32.500 -0.084 0.000 1.365 315 K HN 0.424 nan 8.250 nan 0.000 0.420 316 L N 3.091 124.242 121.223 -0.120 0.000 2.370 316 L HA 0.399 4.738 4.340 -0.000 0.000 0.266 316 L C -0.263 176.470 176.870 -0.228 0.000 1.002 316 L CA -1.143 53.614 54.840 -0.139 0.000 0.818 316 L CB 2.213 44.255 42.059 -0.027 0.000 1.325 316 L HN 0.573 nan 8.230 nan 0.000 0.418 317 N N 0.783 119.234 118.700 -0.414 0.000 2.434 317 N HA 0.410 5.150 4.740 -0.000 0.000 0.266 317 N C -0.351 174.984 175.510 -0.292 0.000 1.223 317 N CA -0.696 52.009 53.050 -0.576 0.000 0.972 317 N CB 1.290 38.784 38.487 -1.655 0.000 1.207 317 N HN 0.476 nan 8.380 nan 0.000 0.525 318 I N 2.338 122.834 120.570 -0.124 0.000 2.741 318 I HA 0.032 4.202 4.170 -0.000 0.000 0.288 318 I C -1.887 174.270 176.117 0.065 0.000 1.192 318 I CA -1.302 59.997 61.300 -0.001 0.000 1.426 318 I CB 0.662 38.731 38.000 0.115 0.000 1.367 318 I HN 0.436 nan 8.210 nan 0.000 0.563 319 P HA 0.107 nan 4.420 nan 0.000 0.249 319 P C -0.988 176.234 177.300 -0.130 0.000 1.737 319 P CA 0.351 63.361 63.100 -0.150 0.000 1.128 319 P CB -0.072 31.275 31.700 -0.588 0.000 1.942 320 M N 1.532 121.150 119.600 0.030 0.000 2.395 320 M HA 0.584 5.064 4.480 -0.000 0.000 0.307 320 M C 0.581 176.758 176.300 -0.207 0.000 1.091 320 M CA 0.112 55.338 55.300 -0.123 0.000 0.919 320 M CB 2.676 35.228 32.600 -0.081 0.000 1.662 320 M HN 0.428 nan 8.290 nan 0.000 0.440 321 G N 1.148 109.678 108.800 -0.449 0.000 2.660 321 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.215 321 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.215 321 G C -0.486 174.311 174.900 -0.171 0.000 1.345 321 G CA -0.204 44.626 45.100 -0.449 0.000 0.877 321 G HN 0.675 nan 8.290 nan 0.000 0.549 322 L N -0.222 121.012 121.223 0.018 0.000 2.071 322 L HA 0.265 4.604 4.340 -0.000 0.000 0.201 322 L C 2.548 179.508 176.870 0.149 0.000 1.076 322 L CA 2.673 57.602 54.840 0.147 0.000 0.755 322 L CB -0.876 41.272 42.059 0.148 0.000 0.915 322 L HN 0.632 nan 8.230 nan 0.000 0.445 323 D N -0.693 119.755 120.400 0.080 0.000 2.106 323 D HA -0.247 4.393 4.640 -0.000 0.000 0.191 323 D C 2.007 178.490 176.300 0.304 0.000 0.997 323 D CA 1.580 55.667 54.000 0.145 0.000 0.834 323 D CB -0.473 40.378 40.800 0.084 0.000 0.956 323 D HN 0.402 nan 8.370 nan 0.000 0.448 324 W N 1.145 122.465 121.300 0.033 0.000 2.402 324 W HA -0.007 4.653 4.660 -0.000 0.000 0.286 324 W C 2.423 178.942 176.519 0.001 0.000 1.221 324 W CA 0.661 58.017 57.345 0.017 0.000 1.257 324 W CB -1.441 28.015 29.460 -0.008 0.000 1.120 324 W HN -0.024 nan 8.180 nan 0.000 0.551 325 T N 0.072 114.713 114.554 0.145 0.000 2.821 325 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 325 T C 1.199 175.942 174.700 0.072 0.000 1.046 325 T CA 1.704 63.773 62.100 -0.052 0.000 1.139 325 T CB -0.265 68.332 68.868 -0.452 0.000 0.871 325 T HN -0.052 nan 8.240 nan 0.000 0.454 326 D N 1.335 121.838 120.400 0.172 0.000 2.084 326 D HA -0.075 4.565 4.640 -0.000 0.000 0.194 326 D C 2.217 178.612 176.300 0.159 0.000 0.990 326 D CA 1.089 55.212 54.000 0.205 0.000 0.826 326 D CB -0.299 40.624 40.800 0.204 0.000 0.971 326 D HN 0.479 nan 8.370 nan 0.000 0.453 327 E N -0.397 119.907 120.200 0.174 0.000 2.085 327 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 327 E C 1.940 178.605 176.600 0.108 0.000 0.994 327 E CA 0.625 57.102 56.400 0.128 0.000 0.801 327 E CB -0.230 29.550 29.700 0.133 0.000 0.743 327 E HN 0.251 nan 8.360 nan 0.000 0.453 328 F N 1.328 121.274 119.950 -0.007 0.000 2.102 328 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 328 F C 1.886 177.665 175.800 -0.035 0.000 1.105 328 F CA 1.370 59.346 58.000 -0.040 0.000 1.239 328 F CB -0.188 38.773 39.000 -0.064 0.000 0.991 328 F HN -0.081 nan 8.300 nan 0.000 0.474 329 L N -0.346 120.875 121.223 -0.003 0.000 2.083 329 L HA -0.267 4.073 4.340 -0.000 0.000 0.209 329 L C 2.566 179.368 176.870 -0.112 0.000 1.083 329 L CA 1.656 56.438 54.840 -0.098 0.000 0.752 329 L CB -0.650 41.446 42.059 0.062 0.000 0.899 329 L HN 0.281 nan 8.230 nan 0.000 0.433 330 M N -0.700 118.874 119.600 -0.044 0.000 2.175 330 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 330 M C 2.309 178.560 176.300 -0.083 0.000 1.063 330 M CA 1.464 56.741 55.300 -0.038 0.000 1.119 330 M CB -0.185 32.418 32.600 0.004 0.000 1.377 330 M HN -0.010 nan 8.290 nan 0.000 0.415 331 K N 0.461 120.789 120.400 -0.119 0.000 2.026 331 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 331 K C 1.588 178.074 176.600 -0.190 0.000 1.048 331 K CA 1.316 57.521 56.287 -0.137 0.000 0.929 331 K CB -0.569 31.850 32.500 -0.135 0.000 0.713 331 K HN 0.114 nan 8.250 nan 0.000 0.439 332 V N 0.428 120.149 119.914 -0.322 0.000 2.407 332 V HA -0.225 3.894 4.120 -0.000 0.000 0.248 332 V C 2.368 178.359 176.094 -0.172 0.000 1.055 332 V CA 2.096 64.208 62.300 -0.313 0.000 1.049 332 V CB -0.624 30.903 31.823 -0.494 0.000 0.662 332 V HN 0.506 nan 8.190 nan 0.000 0.455 333 S N -0.817 114.800 115.700 -0.139 0.000 2.402 333 S HA -0.250 4.220 4.470 -0.000 0.000 0.229 333 S C 2.056 176.619 174.600 -0.062 0.000 1.021 333 S CA 1.976 60.129 58.200 -0.078 0.000 0.974 333 S CB -0.194 62.974 63.200 -0.053 0.000 0.800 333 S HN 0.746 nan 8.310 nan 0.000 0.484 334 E N 0.219 120.379 120.200 -0.068 0.000 2.046 334 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 334 E C 2.036 178.604 176.600 -0.053 0.000 0.982 334 E CA 1.211 57.580 56.400 -0.052 0.000 0.800 334 E CB -0.234 29.437 29.700 -0.049 0.000 0.756 334 E HN 0.647 nan 8.360 nan 0.000 0.449 335 I N 1.197 121.725 120.570 -0.070 0.000 2.286 335 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 335 I C 2.552 178.636 176.117 -0.056 0.000 1.115 335 I CA 1.464 62.724 61.300 -0.066 0.000 1.392 335 I CB -0.175 37.777 38.000 -0.081 0.000 1.065 335 I HN 0.184 nan 8.210 nan 0.000 0.418 336 S N -0.348 115.318 115.700 -0.056 0.000 2.503 336 S HA 0.217 4.687 4.470 -0.000 0.000 0.217 336 S C 1.753 176.334 174.600 -0.030 0.000 0.999 336 S CA 0.434 58.611 58.200 -0.040 0.000 0.914 336 S CB 0.652 63.831 63.200 -0.035 0.000 0.782 336 S HN 0.568 nan 8.310 nan 0.000 0.520 337 G N 0.721 109.502 108.800 -0.032 0.000 2.205 337 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.261 337 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.261 337 G C -0.057 174.832 174.900 -0.019 0.000 0.980 337 G CA 0.188 45.274 45.100 -0.024 0.000 0.632 337 G HN 0.534 nan 8.290 nan 0.000 0.533 338 Q N 1.375 121.163 119.800 -0.020 0.000 2.286 338 Q HA 0.375 4.715 4.340 -0.000 0.000 0.257 338 Q C -2.003 173.989 176.000 -0.013 0.000 0.941 338 Q CA -1.513 54.282 55.803 -0.012 0.000 0.912 338 Q CB 1.705 30.439 28.738 -0.008 0.000 1.192 338 Q HN 0.409 nan 8.270 nan 0.000 0.410 339 P HA 0.189 nan 4.420 nan 0.000 0.274 339 P C -0.181 177.121 177.300 0.004 0.000 1.237 339 P CA -0.296 62.803 63.100 -0.002 0.000 0.793 339 P CB 0.940 32.640 31.700 0.001 0.000 0.977 340 I N 3.837 124.412 120.570 0.009 0.000 2.421 340 I HA 0.100 4.270 4.170 -0.000 0.000 0.291 340 I C -1.212 174.921 176.117 0.027 0.000 1.089 340 I CA -1.760 59.554 61.300 0.023 0.000 1.354 340 I CB 0.162 38.185 38.000 0.037 0.000 1.413 340 I HN 0.241 nan 8.210 nan 0.000 0.513 341 P HA 0.000 nan 4.420 nan 0.000 0.268 341 P C 0.518 177.834 177.300 0.027 0.000 1.208 341 P CA -0.189 62.927 63.100 0.026 0.000 0.777 341 P CB 1.033 32.750 31.700 0.029 0.000 0.875 342 A N 2.107 124.938 122.820 0.018 0.000 1.948 342 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 342 A C 2.568 180.159 177.584 0.013 0.000 1.177 342 A CA 2.296 54.340 52.037 0.011 0.000 0.636 342 A CB -1.544 17.460 19.000 0.007 0.000 0.815 342 A HN 0.659 nan 8.150 nan 0.000 0.449 343 S N -0.384 115.329 115.700 0.020 0.000 2.359 343 S HA -0.168 4.301 4.470 -0.000 0.000 0.223 343 S C 1.905 176.525 174.600 0.035 0.000 1.039 343 S CA 1.763 59.977 58.200 0.024 0.000 1.042 343 S CB -0.480 62.739 63.200 0.030 0.000 0.915 343 S HN 0.513 nan 8.310 nan 0.000 0.439 344 L N 0.510 121.768 121.223 0.059 0.000 2.217 344 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 344 L C 2.701 179.600 176.870 0.049 0.000 1.107 344 L CA 1.356 56.260 54.840 0.107 0.000 0.783 344 L CB -0.865 41.291 42.059 0.162 0.000 0.919 344 L HN 0.372 nan 8.230 nan 0.000 0.442 345 T N -0.677 113.886 114.554 0.015 0.000 2.821 345 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 345 T C 1.934 176.584 174.700 -0.083 0.000 1.046 345 T CA 1.174 63.254 62.100 -0.033 0.000 1.139 345 T CB -0.027 68.834 68.868 -0.013 0.000 0.871 345 T HN 0.236 nan 8.240 nan 0.000 0.454 346 K N 1.020 121.389 120.400 -0.052 0.000 2.057 346 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 346 K C 2.355 178.900 176.600 -0.091 0.000 1.049 346 K CA 1.354 57.606 56.287 -0.058 0.000 0.931 346 K CB -0.078 32.406 32.500 -0.028 0.000 0.714 346 K HN 0.361 nan 8.250 nan 0.000 0.440 347 E N 0.560 120.709 120.200 -0.086 0.000 2.110 347 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 347 E C 2.150 178.560 176.600 -0.317 0.000 0.988 347 E CA 0.931 57.271 56.400 -0.100 0.000 0.804 347 E CB 0.054 29.771 29.700 0.029 0.000 0.745 347 E HN 0.236 nan 8.360 nan 0.000 0.458 348 R N -0.268 119.896 120.500 -0.559 0.000 2.062 348 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 348 R C 2.384 178.447 176.300 -0.396 0.000 1.136 348 R CA 1.638 57.200 56.100 -0.897 0.000 0.948 348 R CB -0.611 29.229 30.300 -0.767 0.000 0.845 348 R HN 0.207 nan 8.270 nan 0.000 0.430 349 G N 0.304 108.963 108.800 -0.235 0.000 2.448 349 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 349 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 349 G C 1.421 176.260 174.900 -0.101 0.000 1.127 349 G CA 0.463 45.484 45.100 -0.132 0.000 0.766 349 G HN 0.325 nan 8.290 nan 0.000 0.552 350 R N -0.864 119.572 120.500 -0.107 0.000 2.090 350 R HA 0.078 4.418 4.340 -0.000 0.000 0.228 350 R C 2.421 178.691 176.300 -0.050 0.000 1.110 350 R CA 0.872 56.934 56.100 -0.063 0.000 0.973 350 R CB -0.390 29.880 30.300 -0.050 0.000 0.869 350 R HN 0.376 nan 8.270 nan 0.000 0.440 351 L N 0.676 121.851 121.223 -0.080 0.000 2.017 351 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 351 L C 1.975 178.842 176.870 -0.005 0.000 1.073 351 L CA 1.599 56.422 54.840 -0.027 0.000 0.745 351 L CB -0.314 41.724 42.059 -0.034 0.000 0.894 351 L HN -0.104 nan 8.230 nan 0.000 0.432 352 V N 0.042 119.930 119.914 -0.043 0.000 2.343 352 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 352 V C 2.344 178.432 176.094 -0.010 0.000 1.051 352 V CA 1.994 64.281 62.300 -0.022 0.000 1.036 352 V CB -0.891 30.905 31.823 -0.045 0.000 0.654 352 V HN 0.594 nan 8.190 nan 0.000 0.451 353 D N -0.304 120.086 120.400 -0.017 0.000 2.104 353 D HA -0.233 4.407 4.640 -0.000 0.000 0.194 353 D C 2.159 178.470 176.300 0.018 0.000 0.994 353 D CA 1.811 55.810 54.000 -0.003 0.000 0.830 353 D CB -0.143 40.652 40.800 -0.008 0.000 0.959 353 D HN 0.380 nan 8.370 nan 0.000 0.452 354 M N -0.763 118.851 119.600 0.022 0.000 2.159 354 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 354 M C 2.306 178.639 176.300 0.054 0.000 1.063 354 M CA 1.150 56.474 55.300 0.040 0.000 1.110 354 M CB -0.184 32.441 32.600 0.042 0.000 1.374 354 M HN 0.153 nan 8.290 nan 0.000 0.411 355 M N -0.317 119.313 119.600 0.049 0.000 2.117 355 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 355 M C 2.414 178.753 176.300 0.064 0.000 1.065 355 M CA 2.226 57.551 55.300 0.042 0.000 1.114 355 M CB -0.805 31.810 32.600 0.025 0.000 1.361 355 M HN 0.469 nan 8.290 nan 0.000 0.408 356 T N -2.241 112.343 114.554 0.050 0.000 2.821 356 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 356 T C 1.358 176.176 174.700 0.198 0.000 1.046 356 T CA 1.472 63.618 62.100 0.077 0.000 1.139 356 T CB -0.501 68.374 68.868 0.012 0.000 0.871 356 T HN 0.234 nan 8.240 nan 0.000 0.454 357 D N 1.498 121.967 120.400 0.116 0.000 2.218 357 D HA 0.017 4.657 4.640 -0.000 0.000 0.204 357 D C 1.797 178.164 176.300 0.111 0.000 0.976 357 D CA 1.049 55.111 54.000 0.102 0.000 0.853 357 D CB -0.166 40.675 40.800 0.069 0.000 0.939 357 D HN 0.474 nan 8.370 nan 0.000 0.481 358 S N -0.451 115.322 115.700 0.121 0.000 2.559 358 S HA -0.026 4.444 4.470 -0.000 0.000 0.226 358 S C 1.550 176.207 174.600 0.095 0.000 1.000 358 S CA -0.523 57.755 58.200 0.130 0.000 0.948 358 S CB 0.091 63.358 63.200 0.112 0.000 0.870 358 S HN 0.458 nan 8.310 nan 0.000 0.497 359 H N 2.105 121.182 119.070 0.011 0.000 2.387 359 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 359 H C 1.972 177.290 175.328 -0.017 0.000 1.099 359 H CA 1.946 57.986 56.048 -0.013 0.000 1.315 359 H CB -1.153 28.588 29.762 -0.035 0.000 1.380 359 H HN 0.459 nan 8.280 nan 0.000 0.513 360 T N -2.558 111.539 114.554 -0.761 0.000 2.881 360 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 360 T C 1.726 176.174 174.700 -0.420 0.000 1.068 360 T CA 1.181 62.887 62.100 -0.657 0.000 1.131 360 T CB -0.756 67.620 68.868 -0.820 0.000 0.871 360 T HN 0.560 nan 8.240 nan 0.000 0.479 361 W N 0.326 121.571 121.300 -0.093 0.000 2.812 361 W HA 0.487 5.147 4.660 -0.000 0.000 0.263 361 W C 1.954 178.479 176.519 0.011 0.000 1.284 361 W CA -0.624 56.704 57.345 -0.029 0.000 1.430 361 W CB 0.091 29.530 29.460 -0.034 0.000 1.088 361 W HN 0.181 nan 8.180 nan 0.000 0.623 362 L N -0.708 120.634 121.223 0.199 0.000 2.375 362 L HA 0.023 4.362 4.340 -0.000 0.000 0.215 362 L C 1.371 178.300 176.870 0.100 0.000 1.108 362 L CA 0.220 55.142 54.840 0.137 0.000 0.830 362 L CB -0.676 41.407 42.059 0.041 0.000 0.959 362 L HN -0.038 nan 8.230 nan 0.000 0.457 363 H N 0.978 120.054 119.070 0.010 0.000 3.070 363 H HA 0.003 4.559 4.556 -0.000 0.000 0.313 363 H C 1.119 176.474 175.328 0.044 0.000 0.997 363 H CA 1.256 57.302 56.048 -0.004 0.000 1.438 363 H CB 0.810 30.575 29.762 0.005 0.000 1.455 363 H HN 0.353 nan 8.280 nan 0.000 0.575 364 G N 5.047 113.575 108.800 -0.454 0.000 2.245 364 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.264 364 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.264 364 G C 0.304 175.187 174.900 -0.028 0.000 0.985 364 G CA 0.252 45.234 45.100 -0.197 0.000 0.625 364 G HN 0.561 nan 8.290 nan 0.000 0.536 365 K N 1.460 121.879 120.400 0.032 0.000 2.447 365 K HA 0.208 4.528 4.320 -0.000 0.000 0.281 365 K C 0.919 177.505 176.600 -0.023 0.000 1.031 365 K CA 0.230 56.526 56.287 0.014 0.000 1.019 365 K CB 0.353 32.903 32.500 0.082 0.000 0.918 365 K HN 0.543 nan 8.250 nan 0.000 0.476 366 R N 2.829 123.235 120.500 -0.157 0.000 2.297 366 R HA 0.384 4.724 4.340 -0.000 0.000 0.308 366 R C -0.347 175.798 176.300 -0.258 0.000 1.029 366 R CA -0.353 55.694 56.100 -0.089 0.000 0.929 366 R CB 0.503 30.760 30.300 -0.072 0.000 1.046 366 R HN 0.284 nan 8.270 nan 0.000 0.461 367 F N 0.532 120.527 119.950 0.075 0.000 2.577 367 F HA 0.621 5.148 4.527 -0.000 0.000 0.318 367 F C 0.100 175.987 175.800 0.146 0.000 1.065 367 F CA -1.011 57.065 58.000 0.127 0.000 0.929 367 F CB 1.993 41.053 39.000 0.100 0.000 1.237 367 F HN 0.489 nan 8.300 nan 0.000 0.468 368 A N 2.723 125.789 122.820 0.410 0.000 2.342 368 A HA 0.961 5.281 4.320 -0.000 0.000 0.323 368 A C -1.473 176.383 177.584 0.453 0.000 1.125 368 A CA -0.591 51.704 52.037 0.431 0.000 0.785 368 A CB 1.159 20.421 19.000 0.437 0.000 1.221 368 A HN 0.834 nan 8.150 nan 0.000 0.463 369 L N -1.339 120.158 121.223 0.456 0.000 2.540 369 L HA 1.029 5.369 4.340 -0.000 0.000 0.256 369 L C -0.946 176.252 176.870 0.547 0.000 1.001 369 L CA -0.682 54.398 54.840 0.399 0.000 0.843 369 L CB 0.907 43.082 42.059 0.193 0.000 1.436 369 L HN 1.039 nan 8.230 nan 0.000 0.410 370 W N 0.071 121.510 121.300 0.233 0.000 3.003 370 W HA 1.003 5.663 4.660 -0.000 0.000 0.362 370 W C -0.185 176.501 176.519 0.278 0.000 1.213 370 W CA -0.361 57.124 57.345 0.233 0.000 1.157 370 W CB 0.812 30.386 29.460 0.190 0.000 1.493 370 W HN 1.204 nan 8.180 nan 0.000 0.589 371 G N 0.004 109.071 108.800 0.445 0.000 2.339 371 G HA2 0.149 4.109 3.960 -0.000 0.000 0.275 371 G HA3 0.149 4.109 3.960 -0.000 0.000 0.275 371 G C -1.697 173.367 174.900 0.273 0.000 1.323 371 G CA -0.778 44.518 45.100 0.326 0.000 0.927 371 G HN 0.651 nan 8.290 nan 0.000 0.486 372 D N 1.018 121.556 120.400 0.230 0.000 2.329 372 D HA 0.397 5.037 4.640 -0.000 0.000 0.246 372 D C -1.233 175.097 176.300 0.051 0.000 1.111 372 D CA -0.993 53.053 54.000 0.076 0.000 0.941 372 D CB 1.420 42.231 40.800 0.018 0.000 1.169 372 D HN -0.027 nan 8.370 nan 0.000 0.441 373 P HA -0.213 nan 4.420 nan 0.000 0.210 373 P C 0.864 178.245 177.300 0.135 0.000 1.151 373 P CA 1.415 64.233 63.100 -0.469 0.000 0.949 373 P CB 0.224 31.584 31.700 -0.566 0.000 0.786 374 D N -1.744 118.813 120.400 0.261 0.000 2.116 374 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 374 D C 1.888 178.387 176.300 0.333 0.000 0.998 374 D CA 1.167 55.385 54.000 0.362 0.000 0.836 374 D CB -0.731 40.248 40.800 0.299 0.000 0.951 374 D HN 0.128 nan 8.370 nan 0.000 0.449 375 F N 1.872 121.933 119.950 0.184 0.000 2.102 375 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 375 F C 2.294 178.198 175.800 0.172 0.000 1.105 375 F CA 0.979 59.071 58.000 0.154 0.000 1.239 375 F CB -0.432 38.645 39.000 0.128 0.000 0.991 375 F HN -0.251 nan 8.300 nan 0.000 0.474 376 V N 0.788 120.785 119.914 0.139 0.000 2.343 376 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 376 V C 2.538 178.707 176.094 0.124 0.000 1.051 376 V CA 2.200 64.565 62.300 0.109 0.000 1.036 376 V CB -0.641 31.390 31.823 0.346 0.000 0.654 376 V HN 0.529 nan 8.190 nan 0.000 0.451 377 M N 0.345 120.126 119.600 0.302 0.000 2.117 377 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 377 M C 2.014 178.419 176.300 0.176 0.000 1.065 377 M CA 2.289 57.750 55.300 0.268 0.000 1.114 377 M CB -0.543 32.293 32.600 0.394 0.000 1.361 377 M HN 0.395 nan 8.290 nan 0.000 0.408 378 G N 0.267 109.172 108.800 0.175 0.000 2.422 378 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 378 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 378 G C 1.462 176.235 174.900 -0.211 0.000 1.140 378 G CA 0.416 45.531 45.100 0.025 0.000 0.775 378 G HN 0.435 nan 8.290 nan 0.000 0.545 379 L N 0.200 121.244 121.223 -0.298 0.000 2.072 379 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 379 L C 2.988 179.740 176.870 -0.198 0.000 1.079 379 L CA 0.548 55.210 54.840 -0.296 0.000 0.752 379 L CB -0.209 41.593 42.059 -0.429 0.000 0.906 379 L HN 0.110 nan 8.230 nan 0.000 0.436 380 V N 0.109 119.929 119.914 -0.157 0.000 2.343 380 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 380 V C 2.500 178.480 176.094 -0.190 0.000 1.051 380 V CA 1.964 64.185 62.300 -0.131 0.000 1.036 380 V CB -0.500 31.281 31.823 -0.071 0.000 0.654 380 V HN 0.387 nan 8.190 nan 0.000 0.451 381 K N 0.130 120.357 120.400 -0.289 0.000 2.026 381 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 381 K C 1.951 178.369 176.600 -0.304 0.000 1.048 381 K CA 1.767 57.781 56.287 -0.455 0.000 0.929 381 K CB -0.632 31.196 32.500 -1.120 0.000 0.713 381 K HN 0.316 nan 8.250 nan 0.000 0.439 382 F N 0.494 120.191 119.950 -0.421 0.000 2.146 382 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 382 F C 1.610 177.241 175.800 -0.281 0.000 1.096 382 F CA 0.919 58.724 58.000 -0.324 0.000 1.275 382 F CB -0.573 38.254 39.000 -0.288 0.000 1.008 382 F HN 0.015 nan 8.300 nan 0.000 0.480 383 L N 0.217 121.225 121.223 -0.357 0.000 2.042 383 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 383 L C 2.423 179.063 176.870 -0.383 0.000 1.076 383 L CA 1.664 56.225 54.840 -0.465 0.000 0.749 383 L CB -1.296 40.539 42.059 -0.373 0.000 0.893 383 L HN 0.184 nan 8.230 nan 0.000 0.432 384 L N -1.124 119.939 121.223 -0.265 0.000 2.083 384 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 384 L C 2.330 179.052 176.870 -0.246 0.000 1.083 384 L CA 1.131 55.857 54.840 -0.190 0.000 0.752 384 L CB -0.510 41.493 42.059 -0.092 0.000 0.899 384 L HN 0.345 nan 8.230 nan 0.000 0.433 385 E N 0.064 120.113 120.200 -0.252 0.000 2.268 385 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 385 E C 2.030 178.449 176.600 -0.302 0.000 0.995 385 E CA 0.758 57.033 56.400 -0.208 0.000 0.836 385 E CB 0.004 29.640 29.700 -0.105 0.000 0.763 385 E HN 0.525 nan 8.360 nan 0.000 0.491 386 L N -0.510 120.439 121.223 -0.457 0.000 2.558 386 L HA 0.163 4.503 4.340 -0.000 0.000 0.225 386 L C 1.287 177.917 176.870 -0.400 0.000 1.128 386 L CA 0.310 54.892 54.840 -0.431 0.000 0.868 386 L CB 0.139 41.857 42.059 -0.568 0.000 1.006 386 L HN 0.252 nan 8.230 nan 0.000 0.454 387 G N -0.515 107.907 108.800 -0.630 0.000 2.136 387 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.242 387 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.242 387 G C 0.204 174.639 174.900 -0.775 0.000 0.989 387 G CA -0.020 44.418 45.100 -1.103 0.000 0.682 387 G HN 0.321 nan 8.290 nan 0.000 0.522 388 C N -0.190 118.842 119.300 -0.448 0.000 2.345 388 C HA 0.672 5.132 4.460 -0.000 0.000 0.369 388 C C 0.829 175.790 174.990 -0.048 0.000 1.273 388 C CA -0.471 58.461 59.018 -0.145 0.000 2.310 388 C CB 1.386 29.096 27.740 -0.050 0.000 2.219 388 C HN 0.507 nan 8.230 nan 0.000 0.587 389 E N 2.120 122.387 120.200 0.112 0.000 2.256 389 E HA 0.237 4.587 4.350 -0.000 0.000 0.243 389 E C -2.395 174.298 176.600 0.155 0.000 0.925 389 E CA -1.312 55.155 56.400 0.112 0.000 0.748 389 E CB 1.047 30.790 29.700 0.072 0.000 1.206 389 E HN 0.469 nan 8.360 nan 0.000 0.428 390 P HA -0.032 nan 4.420 nan 0.000 0.271 390 P C 0.585 177.926 177.300 0.068 0.000 1.216 390 P CA 0.085 63.262 63.100 0.128 0.000 0.771 390 P CB 1.602 33.337 31.700 0.058 0.000 0.864 391 V N 0.513 120.450 119.914 0.038 0.000 3.090 391 V HA 0.272 4.391 4.120 -0.000 0.000 0.237 391 V C 0.483 176.488 176.094 -0.149 0.000 1.209 391 V CA 0.659 62.876 62.300 -0.139 0.000 1.209 391 V CB -0.707 30.920 31.823 -0.327 0.000 0.971 391 V HN 0.449 nan 8.190 nan 0.000 0.477 392 H N 1.460 120.662 119.070 0.220 0.000 2.685 392 H HA 0.641 5.197 4.556 -0.000 0.000 0.307 392 H C -0.996 174.525 175.328 0.322 0.000 1.017 392 H CA -0.643 55.584 56.048 0.299 0.000 1.237 392 H CB 1.573 31.470 29.762 0.224 0.000 1.409 392 H HN 0.343 nan 8.280 nan 0.000 0.488 393 I N 4.754 125.601 120.570 0.462 0.000 2.355 393 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 393 I C -0.325 176.092 176.117 0.500 0.000 0.999 393 I CA -0.384 61.156 61.300 0.399 0.000 1.163 393 I CB 1.814 39.970 38.000 0.260 0.000 1.316 393 I HN 0.244 nan 8.210 nan 0.000 0.454 394 L N 7.029 128.540 121.223 0.479 0.000 2.385 394 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 394 L C -1.426 175.683 176.870 0.399 0.000 0.990 394 L CA -0.248 54.854 54.840 0.438 0.000 0.821 394 L CB 1.959 44.202 42.059 0.306 0.000 1.279 394 L HN 0.738 nan 8.230 nan 0.000 0.412 395 C N 3.613 123.099 119.300 0.309 0.000 2.478 395 C HA 0.304 4.764 4.460 -0.000 0.000 0.334 395 C C 1.118 176.196 174.990 0.147 0.000 1.106 395 C CA -0.472 58.625 59.018 0.131 0.000 1.363 395 C CB 0.392 27.961 27.740 -0.285 0.000 1.941 395 C HN 1.093 nan 8.230 nan 0.000 0.436 396 H N 3.271 122.377 119.070 0.059 0.000 2.423 396 H HA -0.060 4.496 4.556 -0.000 0.000 0.297 396 H C 1.503 176.829 175.328 -0.003 0.000 1.075 396 H CA 1.900 57.972 56.048 0.040 0.000 1.342 396 H CB 0.397 30.186 29.762 0.045 0.000 1.395 396 H HN 0.871 nan 8.280 nan 0.000 0.530 397 N N -0.131 118.573 118.700 0.006 0.000 2.279 397 N HA 0.116 4.856 4.740 -0.000 0.000 0.226 397 N C 0.454 175.861 175.510 -0.173 0.000 1.126 397 N CA -0.184 52.796 53.050 -0.117 0.000 0.846 397 N CB 0.966 39.355 38.487 -0.163 0.000 1.050 397 N HN 0.052 nan 8.380 nan 0.000 0.502 398 G N 0.673 109.347 108.800 -0.210 0.000 2.504 398 G HA2 0.322 4.282 3.960 -0.000 0.000 0.288 398 G HA3 0.322 4.282 3.960 -0.000 0.000 0.288 398 G C -0.361 174.529 174.900 -0.016 0.000 1.182 398 G CA -0.607 44.299 45.100 -0.323 0.000 0.894 398 G HN 0.494 nan 8.290 nan 0.000 0.521 399 N N -1.023 117.732 118.700 0.093 0.000 2.592 399 N HA 0.375 5.115 4.740 -0.000 0.000 0.292 399 N C 0.969 176.618 175.510 0.231 0.000 1.260 399 N CA -0.959 52.193 53.050 0.170 0.000 0.910 399 N CB 1.184 39.781 38.487 0.183 0.000 1.257 399 N HN 0.149 nan 8.380 nan 0.000 0.569 400 K N 0.445 120.952 120.400 0.179 0.000 2.057 400 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 400 K C 1.744 178.430 176.600 0.143 0.000 1.049 400 K CA 1.332 57.706 56.287 0.145 0.000 0.931 400 K CB -0.480 32.088 32.500 0.113 0.000 0.714 400 K HN 0.540 nan 8.250 nan 0.000 0.440 401 R N -0.598 120.026 120.500 0.206 0.000 2.073 401 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 401 R C 2.236 178.623 176.300 0.145 0.000 1.134 401 R CA 1.757 58.014 56.100 0.261 0.000 0.952 401 R CB -0.541 30.015 30.300 0.428 0.000 0.850 401 R HN 0.344 nan 8.270 nan 0.000 0.433 402 W N 2.349 123.479 121.300 -0.284 0.000 2.358 402 W HA -0.202 4.458 4.660 -0.000 0.000 0.303 402 W C 2.097 178.327 176.519 -0.482 0.000 1.208 402 W CA 1.426 58.156 57.345 -1.026 0.000 1.274 402 W CB -0.055 28.819 29.460 -0.977 0.000 1.138 402 W HN -0.070 nan 8.180 nan 0.000 0.515 403 K N 1.004 121.303 120.400 -0.168 0.000 2.057 403 K HA -0.279 4.041 4.320 -0.000 0.000 0.207 403 K C 2.261 178.666 176.600 -0.324 0.000 1.049 403 K CA 1.970 58.066 56.287 -0.318 0.000 0.931 403 K CB -0.511 31.999 32.500 0.017 0.000 0.714 403 K HN 0.169 nan 8.250 nan 0.000 0.440 404 K N 0.092 120.393 120.400 -0.165 0.000 2.057 404 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 404 K C 1.928 178.440 176.600 -0.146 0.000 1.049 404 K CA 1.298 57.522 56.287 -0.105 0.000 0.931 404 K CB -0.183 32.312 32.500 -0.008 0.000 0.714 404 K HN 0.242 nan 8.250 nan 0.000 0.440 405 A N 0.537 123.234 122.820 -0.205 0.000 1.930 405 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 405 A C 2.184 179.604 177.584 -0.274 0.000 1.175 405 A CA 1.408 53.348 52.037 -0.162 0.000 0.627 405 A CB -0.417 18.547 19.000 -0.060 0.000 0.815 405 A HN 0.177 nan 8.150 nan 0.000 0.443 406 V N 0.516 120.094 119.914 -0.560 0.000 2.379 406 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 406 V C 2.072 177.999 176.094 -0.279 0.000 1.044 406 V CA 2.063 64.061 62.300 -0.503 0.000 1.036 406 V CB -0.733 30.568 31.823 -0.871 0.000 0.664 406 V HN 0.483 nan 8.190 nan 0.000 0.453 407 D N 0.613 120.857 120.400 -0.258 0.000 2.149 407 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 407 D C 2.230 178.471 176.300 -0.097 0.000 0.990 407 D CA 1.658 55.565 54.000 -0.155 0.000 0.839 407 D CB -0.152 40.569 40.800 -0.132 0.000 0.948 407 D HN 0.453 nan 8.370 nan 0.000 0.460 408 A N 0.782 123.553 122.820 -0.082 0.000 1.902 408 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 408 A C 2.382 179.960 177.584 -0.011 0.000 1.181 408 A CA 0.817 52.835 52.037 -0.032 0.000 0.623 408 A CB -0.671 18.324 19.000 -0.007 0.000 0.818 408 A HN 0.182 nan 8.150 nan 0.000 0.443 409 I N -0.376 120.189 120.570 -0.009 0.000 2.226 409 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 409 I C 2.291 178.402 176.117 -0.011 0.000 1.100 409 I CA 1.106 62.422 61.300 0.026 0.000 1.374 409 I CB -0.259 37.775 38.000 0.056 0.000 1.057 409 I HN 0.288 nan 8.210 nan 0.000 0.413 410 L N 0.216 121.414 121.223 -0.042 0.000 2.141 410 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 410 L C 2.714 179.566 176.870 -0.030 0.000 1.094 410 L CA 1.118 55.934 54.840 -0.040 0.000 0.763 410 L CB -0.601 41.422 42.059 -0.058 0.000 0.908 410 L HN 0.226 nan 8.230 nan 0.000 0.437 411 A N -0.148 122.654 122.820 -0.031 0.000 1.968 411 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 411 A C 2.320 179.894 177.584 -0.017 0.000 1.169 411 A CA 1.169 53.190 52.037 -0.027 0.000 0.638 411 A CB -0.449 18.535 19.000 -0.027 0.000 0.812 411 A HN 0.339 nan 8.150 nan 0.000 0.446 412 A N -0.913 121.905 122.820 -0.003 0.000 2.235 412 A HA 0.373 4.692 4.320 -0.000 0.000 0.208 412 A C 1.033 178.620 177.584 0.006 0.000 1.172 412 A CA 0.927 52.969 52.037 0.007 0.000 0.786 412 A CB -0.402 18.615 19.000 0.028 0.000 0.804 412 A HN 0.518 nan 8.150 nan 0.000 0.479 413 S N -1.228 114.471 115.700 -0.001 0.000 2.538 413 S HA 0.552 5.022 4.470 -0.000 0.000 0.288 413 S C -2.442 172.130 174.600 -0.047 0.000 1.108 413 S CA -1.209 56.996 58.200 0.008 0.000 0.971 413 S CB 1.635 64.871 63.200 0.061 0.000 1.041 413 S HN -0.016 nan 8.310 nan 0.000 0.483 414 P HA -0.008 nan 4.420 nan 0.000 0.220 414 P C 0.219 177.323 177.300 -0.327 0.000 1.148 414 P CA 0.969 63.904 63.100 -0.276 0.000 0.803 414 P CB -0.056 31.395 31.700 -0.415 0.000 0.782 415 Y N -1.180 119.093 120.300 -0.045 0.000 2.583 415 Y HA 0.178 4.728 4.550 -0.000 0.000 0.293 415 Y C 2.245 178.111 175.900 -0.056 0.000 1.157 415 Y CA 0.745 58.809 58.100 -0.060 0.000 1.315 415 Y CB -0.912 37.501 38.460 -0.079 0.000 1.021 415 Y HN -0.059 nan 8.280 nan 0.000 0.536 416 G N -0.423 108.402 108.800 0.042 0.000 3.448 416 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.261 416 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.261 416 G C 1.505 176.394 174.900 -0.018 0.000 1.173 416 G CA -0.261 44.846 45.100 0.011 0.000 0.835 416 G HN 0.265 nan 8.290 nan 0.000 0.534 417 K N 0.931 121.313 120.400 -0.029 0.000 2.063 417 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 417 K C 0.982 177.562 176.600 -0.034 0.000 1.048 417 K CA 1.130 57.392 56.287 -0.041 0.000 0.928 417 K CB 0.033 32.500 32.500 -0.054 0.000 0.713 417 K HN 0.202 nan 8.250 nan 0.000 0.442 418 N N 0.304 118.988 118.700 -0.027 0.000 2.273 418 N HA 0.115 4.855 4.740 -0.000 0.000 0.231 418 N C -0.820 174.666 175.510 -0.041 0.000 1.134 418 N CA 0.065 53.095 53.050 -0.033 0.000 0.856 418 N CB 1.160 39.626 38.487 -0.035 0.000 1.068 418 N HN 0.146 nan 8.380 nan 0.000 0.510 419 A N 0.360 123.161 122.820 -0.030 0.000 2.316 419 A HA 0.667 4.987 4.320 -0.000 0.000 0.284 419 A C 0.092 177.657 177.584 -0.033 0.000 1.115 419 A CA 0.065 52.089 52.037 -0.021 0.000 0.812 419 A CB 0.667 19.660 19.000 -0.012 0.000 1.064 419 A HN 0.054 nan 8.150 nan 0.000 0.489 420 T N 1.380 115.930 114.554 -0.007 0.000 2.991 420 T HA 0.466 4.816 4.350 -0.000 0.000 0.303 420 T C -0.735 173.890 174.700 -0.126 0.000 1.015 420 T CA -0.349 61.683 62.100 -0.112 0.000 1.007 420 T CB 1.330 70.112 68.868 -0.143 0.000 1.034 420 T HN 0.471 nan 8.240 nan 0.000 0.446 421 V N 3.889 123.673 119.914 -0.217 0.000 2.481 421 V HA 0.524 4.644 4.120 -0.000 0.000 0.286 421 V C -1.082 174.892 176.094 -0.201 0.000 1.042 421 V CA -0.647 61.606 62.300 -0.077 0.000 0.928 421 V CB 0.630 32.397 31.823 -0.093 0.000 0.986 421 V HN 0.804 nan 8.190 nan 0.000 0.462 422 Y N 4.647 125.072 120.300 0.209 0.000 2.409 422 Y HA 0.757 5.307 4.550 -0.000 0.000 0.343 422 Y C 0.165 176.196 175.900 0.218 0.000 0.973 422 Y CA -0.886 57.328 58.100 0.189 0.000 1.064 422 Y CB 1.916 40.483 38.460 0.178 0.000 1.207 422 Y HN 0.619 nan 8.280 nan 0.000 0.452 423 I N -1.491 119.269 120.570 0.315 0.000 2.785 423 I HA 0.867 5.037 4.170 -0.000 0.000 0.302 423 I C 0.740 176.975 176.117 0.196 0.000 1.069 423 I CA -1.035 60.416 61.300 0.252 0.000 1.045 423 I CB 2.299 40.442 38.000 0.238 0.000 1.236 423 I HN 0.725 nan 8.210 nan 0.000 0.429 424 G N 2.512 111.443 108.800 0.218 0.000 2.175 424 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.265 424 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.265 424 G C 0.060 175.036 174.900 0.127 0.000 0.979 424 G CA 0.159 45.411 45.100 0.254 0.000 0.663 424 G HN 0.627 nan 8.290 nan 0.000 0.533 425 K N 0.942 121.340 120.400 -0.003 0.000 2.156 425 K HA 0.578 4.898 4.320 -0.000 0.000 0.250 425 K C 0.212 176.614 176.600 -0.330 0.000 0.955 425 K CA -0.186 56.002 56.287 -0.166 0.000 0.855 425 K CB 1.638 33.961 32.500 -0.295 0.000 1.101 425 K HN 0.465 nan 8.250 nan 0.000 0.434 426 D N -0.710 119.572 120.400 -0.197 0.000 2.569 426 D HA 0.223 4.863 4.640 -0.000 0.000 0.266 426 D C 1.124 177.259 176.300 -0.275 0.000 1.164 426 D CA -0.728 53.021 54.000 -0.419 0.000 1.071 426 D CB 0.453 41.006 40.800 -0.411 0.000 1.183 426 D HN 0.233 nan 8.370 nan 0.000 0.613 427 L N -0.901 120.154 121.223 -0.281 0.000 2.275 427 L HA -0.002 4.338 4.340 -0.000 0.000 0.215 427 L C 1.798 178.571 176.870 -0.162 0.000 1.119 427 L CA 0.487 55.146 54.840 -0.302 0.000 0.790 427 L CB -0.260 41.607 42.059 -0.320 0.000 0.919 427 L HN 0.507 nan 8.230 nan 0.000 0.443 428 W N 0.582 121.692 121.300 -0.317 0.000 2.436 428 W HA -0.135 4.525 4.660 -0.000 0.000 0.284 428 W C 2.173 178.517 176.519 -0.292 0.000 1.225 428 W CA 1.176 58.357 57.345 -0.272 0.000 1.271 428 W CB -0.052 29.225 29.460 -0.304 0.000 1.114 428 W HN 0.303 nan 8.180 nan 0.000 0.559 429 H N -0.211 118.698 119.070 -0.268 0.000 2.326 429 H HA -0.202 4.354 4.556 -0.000 0.000 0.301 429 H C 2.120 177.238 175.328 -0.351 0.000 1.081 429 H CA 1.871 57.625 56.048 -0.490 0.000 1.334 429 H CB -0.362 28.949 29.762 -0.752 0.000 1.385 429 H HN 0.024 nan 8.280 nan 0.000 0.504 430 L N 1.174 122.265 121.223 -0.221 0.000 2.083 430 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 430 L C 2.402 179.098 176.870 -0.290 0.000 1.083 430 L CA 1.446 56.128 54.840 -0.262 0.000 0.752 430 L CB -0.472 41.411 42.059 -0.293 0.000 0.899 430 L HN 0.113 nan 8.230 nan 0.000 0.433 431 R N -1.160 119.140 120.500 -0.333 0.000 2.091 431 R HA -0.160 4.179 4.340 -0.000 0.000 0.238 431 R C 2.237 178.368 176.300 -0.281 0.000 1.136 431 R CA 1.768 57.642 56.100 -0.376 0.000 0.959 431 R CB -0.341 29.645 30.300 -0.523 0.000 0.856 431 R HN 0.406 nan 8.270 nan 0.000 0.437 432 S N 0.835 116.389 115.700 -0.243 0.000 2.368 432 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 432 S C 1.868 176.426 174.600 -0.070 0.000 1.030 432 S CA 1.146 59.303 58.200 -0.072 0.000 0.999 432 S CB -0.127 63.092 63.200 0.032 0.000 0.844 432 S HN 0.297 nan 8.310 nan 0.000 0.459 433 L N 1.395 122.510 121.223 -0.180 0.000 2.046 433 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 433 L C 2.404 179.066 176.870 -0.347 0.000 1.077 433 L CA 1.153 55.757 54.840 -0.393 0.000 0.747 433 L CB -0.841 40.742 42.059 -0.793 0.000 0.896 433 L HN 0.335 nan 8.230 nan 0.000 0.432 434 V N -4.940 114.795 119.914 -0.297 0.000 2.970 434 V HA -0.146 3.974 4.120 -0.000 0.000 0.260 434 V C 2.072 178.046 176.094 -0.200 0.000 1.100 434 V CA 1.126 63.300 62.300 -0.210 0.000 1.122 434 V CB -0.773 30.892 31.823 -0.264 0.000 0.721 434 V HN 0.149 nan 8.190 nan 0.000 0.483 435 F N 2.386 122.269 119.950 -0.111 0.000 2.262 435 F HA 0.075 4.602 4.527 -0.000 0.000 0.292 435 F C 2.820 178.569 175.800 -0.084 0.000 1.081 435 F CA 1.666 59.595 58.000 -0.118 0.000 1.355 435 F CB -0.860 38.005 39.000 -0.226 0.000 1.069 435 F HN 0.321 nan 8.300 nan 0.000 0.506 436 T N -3.397 111.223 114.554 0.111 0.000 3.014 436 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 436 T C 0.467 175.217 174.700 0.084 0.000 1.078 436 T CA 1.110 63.245 62.100 0.057 0.000 1.135 436 T CB -0.091 68.781 68.868 0.005 0.000 0.895 436 T HN 0.045 nan 8.240 nan 0.000 0.480 437 D N 0.757 121.234 120.400 0.129 0.000 2.621 437 D HA 0.201 4.840 4.640 -0.000 0.000 0.274 437 D C -0.715 175.730 176.300 0.241 0.000 1.215 437 D CA -0.524 53.589 54.000 0.189 0.000 0.810 437 D CB 0.423 41.385 40.800 0.270 0.000 1.248 437 D HN 0.251 nan 8.370 nan 0.000 0.517 438 K N 2.581 123.066 120.400 0.141 0.000 2.466 438 K HA 0.117 4.437 4.320 -0.000 0.000 0.278 438 K C -2.119 174.510 176.600 0.048 0.000 1.048 438 K CA -0.762 55.581 56.287 0.093 0.000 1.088 438 K CB 0.514 33.067 32.500 0.088 0.000 0.884 438 K HN 0.188 nan 8.250 nan 0.000 0.478 439 P HA 0.105 nan 4.420 nan 0.000 0.277 439 P C -0.267 176.937 177.300 -0.159 0.000 1.271 439 P CA -0.364 62.718 63.100 -0.030 0.000 0.795 439 P CB 0.611 32.345 31.700 0.056 0.000 1.101 440 D N -1.162 119.084 120.400 -0.257 0.000 2.201 440 D HA 0.106 4.745 4.640 -0.000 0.000 0.209 440 D C 0.294 176.107 176.300 -0.812 0.000 0.961 440 D CA 1.486 55.199 54.000 -0.479 0.000 0.861 440 D CB 0.038 40.616 40.800 -0.370 0.000 0.997 440 D HN 0.279 nan 8.370 nan 0.000 0.486 441 F N -0.550 119.220 119.950 -0.300 0.000 2.643 441 F HA 0.408 4.935 4.527 -0.000 0.000 0.314 441 F C -0.253 175.581 175.800 0.057 0.000 1.096 441 F CA -1.289 56.637 58.000 -0.124 0.000 0.953 441 F CB 1.509 40.435 39.000 -0.123 0.000 1.345 441 F HN -0.344 nan 8.300 nan 0.000 0.468 442 M N 1.788 121.612 119.600 0.374 0.000 2.464 442 M HA 0.773 5.253 4.480 -0.000 0.000 0.308 442 M C -1.867 174.615 176.300 0.304 0.000 1.127 442 M CA -0.550 54.981 55.300 0.385 0.000 0.913 442 M CB 2.627 35.479 32.600 0.421 0.000 1.689 442 M HN 0.477 nan 8.290 nan 0.000 0.445 443 I N 2.433 123.117 120.570 0.189 0.000 2.389 443 I HA 0.876 5.045 4.170 -0.000 0.000 0.288 443 I C 0.165 175.990 176.117 -0.487 0.000 0.999 443 I CA -0.351 60.929 61.300 -0.033 0.000 1.129 443 I CB 1.716 39.727 38.000 0.018 0.000 1.288 443 I HN 1.062 nan 8.210 nan 0.000 0.444 444 G N 4.621 112.969 108.800 -0.754 0.000 2.500 444 G HA2 0.226 4.186 3.960 -0.000 0.000 0.299 444 G HA3 0.226 4.186 3.960 -0.000 0.000 0.299 444 G C -1.616 172.873 174.900 -0.685 0.000 1.242 444 G CA -0.672 43.504 45.100 -1.540 0.000 0.859 444 G HN 0.594 nan 8.290 nan 0.000 0.481 445 N N -0.776 117.677 118.700 -0.410 0.000 2.476 445 N HA 0.389 5.129 4.740 -0.000 0.000 0.287 445 N C 1.258 176.755 175.510 -0.021 0.000 1.262 445 N CA 0.311 53.281 53.050 -0.133 0.000 0.980 445 N CB 0.577 38.989 38.487 -0.125 0.000 1.163 445 N HN 0.264 nan 8.380 nan 0.000 0.592 446 S N -1.370 114.171 115.700 -0.265 0.000 2.402 446 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 446 S C 1.258 175.738 174.600 -0.199 0.000 1.030 446 S CA 1.072 59.099 58.200 -0.289 0.000 1.003 446 S CB -0.796 62.135 63.200 -0.449 0.000 0.813 446 S HN 0.510 nan 8.310 nan 0.000 0.477 447 Y N 1.486 121.858 120.300 0.121 0.000 2.465 447 Y HA -0.033 4.516 4.550 -0.000 0.000 0.289 447 Y C 2.481 178.492 175.900 0.186 0.000 1.150 447 Y CA 0.325 58.545 58.100 0.201 0.000 1.293 447 Y CB -1.110 37.489 38.460 0.232 0.000 0.977 447 Y HN 0.331 nan 8.280 nan 0.000 0.556 448 G N 0.395 109.457 108.800 0.436 0.000 2.598 448 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 448 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 448 G C 1.689 176.682 174.900 0.154 0.000 1.131 448 G CA 0.690 46.046 45.100 0.426 0.000 0.785 448 G HN 0.545 nan 8.290 nan 0.000 0.539 449 K N -0.395 119.960 120.400 -0.075 0.000 2.211 449 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 449 K C 1.708 178.195 176.600 -0.189 0.000 1.050 449 K CA 0.891 57.051 56.287 -0.212 0.000 0.945 449 K CB -0.401 31.856 32.500 -0.405 0.000 0.732 449 K HN 0.219 nan 8.250 nan 0.000 0.451 450 F N 1.618 121.647 119.950 0.132 0.000 2.407 450 F HA 0.117 4.644 4.527 -0.000 0.000 0.299 450 F C 1.989 177.851 175.800 0.104 0.000 1.097 450 F CA 0.224 58.297 58.000 0.123 0.000 1.422 450 F CB -0.280 38.811 39.000 0.151 0.000 1.067 450 F HN -0.077 nan 8.300 nan 0.000 0.539 451 I N -0.427 120.260 120.570 0.195 0.000 2.333 451 I HA -0.248 3.922 4.170 -0.000 0.000 0.246 451 I C 2.569 178.704 176.117 0.032 0.000 1.106 451 I CA 1.046 62.385 61.300 0.066 0.000 1.411 451 I CB -0.468 37.516 38.000 -0.027 0.000 1.082 451 I HN 0.137 nan 8.210 nan 0.000 0.420 452 Q N 1.437 121.270 119.800 0.054 0.000 2.135 452 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 452 Q C 2.404 178.448 176.000 0.072 0.000 0.981 452 Q CA 1.643 57.470 55.803 0.040 0.000 0.856 452 Q CB -0.114 28.651 28.738 0.045 0.000 0.902 452 Q HN 0.325 nan 8.270 nan 0.000 0.425 453 R N 0.047 120.611 120.500 0.106 0.000 2.073 453 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 453 R C 1.325 177.737 176.300 0.187 0.000 1.134 453 R CA 1.937 58.117 56.100 0.133 0.000 0.952 453 R CB -0.179 30.224 30.300 0.171 0.000 0.850 453 R HN 0.386 nan 8.270 nan 0.000 0.433 454 D N -0.144 120.405 120.400 0.248 0.000 2.117 454 D HA -0.130 4.509 4.640 -0.000 0.000 0.197 454 D C 1.937 178.592 176.300 0.592 0.000 0.987 454 D CA 2.074 56.337 54.000 0.438 0.000 0.829 454 D CB -0.470 40.618 40.800 0.479 0.000 0.961 454 D HN 0.474 nan 8.370 nan 0.000 0.460 455 T N -0.359 114.346 114.554 0.251 0.000 2.821 455 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 455 T C 2.015 176.919 174.700 0.340 0.000 1.046 455 T CA 0.545 62.767 62.100 0.204 0.000 1.139 455 T CB -0.489 68.280 68.868 -0.165 0.000 0.871 455 T HN 0.041 nan 8.240 nan 0.000 0.454 456 L N 1.067 122.431 121.223 0.235 0.000 2.083 456 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 456 L C 2.445 179.464 176.870 0.247 0.000 1.083 456 L CA 1.769 56.730 54.840 0.202 0.000 0.752 456 L CB -1.133 41.002 42.059 0.128 0.000 0.899 456 L HN 0.490 nan 8.230 nan 0.000 0.433 457 H N -0.451 118.694 119.070 0.126 0.000 2.387 457 H HA -0.218 4.338 4.556 -0.000 0.000 0.299 457 H C 2.081 177.444 175.328 0.058 0.000 1.099 457 H CA 1.647 57.677 56.048 -0.030 0.000 1.315 457 H CB 0.340 29.900 29.762 -0.337 0.000 1.380 457 H HN 0.359 nan 8.280 nan 0.000 0.513 458 K N 0.154 120.716 120.400 0.271 0.000 2.288 458 K HA 0.022 4.342 4.320 -0.000 0.000 0.201 458 K C -0.022 176.754 176.600 0.294 0.000 1.048 458 K CA 0.788 57.204 56.287 0.215 0.000 0.956 458 K CB 0.305 32.916 32.500 0.184 0.000 0.746 458 K HN 0.457 nan 8.250 nan 0.000 0.461 459 G N 0.346 109.377 108.800 0.384 0.000 2.343 459 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.298 459 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.298 459 G C -0.612 174.428 174.900 0.234 0.000 1.644 459 G CA -0.508 44.809 45.100 0.361 0.000 0.958 459 G HN -0.062 nan 8.290 nan 0.000 0.702 460 K N 0.731 121.183 120.400 0.088 0.000 2.152 460 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 460 K C 2.337 178.896 176.600 -0.067 0.000 1.048 460 K CA 2.510 58.808 56.287 0.018 0.000 0.933 460 K CB 0.083 32.579 32.500 -0.006 0.000 0.721 460 K HN 0.664 nan 8.250 nan 0.000 0.447 461 E N -0.753 119.326 120.200 -0.201 0.000 2.418 461 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 461 E C 0.900 177.191 176.600 -0.516 0.000 1.026 461 E CA 0.836 56.995 56.400 -0.400 0.000 0.862 461 E CB -0.247 29.113 29.700 -0.568 0.000 0.799 461 E HN 0.377 nan 8.360 nan 0.000 0.518 462 F N 1.473 121.437 119.950 0.022 0.000 2.721 462 F HA 0.235 4.762 4.527 -0.000 0.000 0.301 462 F C 1.041 176.834 175.800 -0.011 0.000 1.096 462 F CA -0.590 57.431 58.000 0.036 0.000 1.308 462 F CB 0.170 39.251 39.000 0.135 0.000 1.086 462 F HN -0.073 nan 8.300 nan 0.000 0.587 463 E N 1.924 122.183 120.200 0.098 0.000 2.417 463 E HA 0.148 4.498 4.350 -0.000 0.000 0.261 463 E C -0.838 175.720 176.600 -0.069 0.000 1.000 463 E CA -0.044 56.373 56.400 0.029 0.000 0.919 463 E CB 0.714 30.426 29.700 0.019 0.000 0.955 463 E HN -0.065 nan 8.360 nan 0.000 0.455 464 V N 7.758 127.625 119.914 -0.078 0.000 2.293 464 V HA 0.261 4.381 4.120 -0.000 0.000 0.275 464 V C -2.201 173.864 176.094 -0.049 0.000 1.021 464 V CA -1.911 60.317 62.300 -0.121 0.000 0.815 464 V CB 0.983 32.745 31.823 -0.100 0.000 1.025 464 V HN 0.740 nan 8.190 nan 0.000 0.448 465 P HA 0.155 nan 4.420 nan 0.000 0.271 465 P C -0.555 176.879 177.300 0.223 0.000 1.216 465 P CA -0.264 62.895 63.100 0.099 0.000 0.771 465 P CB 0.712 32.518 31.700 0.176 0.000 0.864 466 L N 5.065 126.394 121.223 0.176 0.000 2.292 466 L HA 0.415 4.755 4.340 -0.000 0.000 0.284 466 L C -0.782 176.176 176.870 0.145 0.000 1.065 466 L CA -0.031 54.916 54.840 0.178 0.000 0.806 466 L CB 0.147 42.287 42.059 0.135 0.000 1.175 466 L HN 0.254 nan 8.230 nan 0.000 0.431 467 I N 5.372 126.020 120.570 0.131 0.000 2.330 467 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 467 I C 0.090 176.215 176.117 0.014 0.000 1.001 467 I CA -0.644 60.695 61.300 0.065 0.000 1.193 467 I CB 1.124 39.160 38.000 0.061 0.000 1.345 467 I HN 0.564 nan 8.210 nan 0.000 0.461 468 R N 7.012 127.514 120.500 0.004 0.000 2.248 468 R HA 0.547 4.887 4.340 -0.000 0.000 0.337 468 R C -0.977 175.335 176.300 0.021 0.000 1.085 468 R CA 0.271 56.360 56.100 -0.018 0.000 0.934 468 R CB 0.209 30.498 30.300 -0.018 0.000 1.034 468 R HN 0.542 nan 8.270 nan 0.000 0.465 469 I N 2.834 123.411 120.570 0.011 0.000 2.571 469 I HA 0.509 4.679 4.170 -0.000 0.000 0.286 469 I C 0.272 176.407 176.117 0.029 0.000 1.134 469 I CA -0.564 60.811 61.300 0.125 0.000 1.052 469 I CB 2.136 40.242 38.000 0.178 0.000 1.237 469 I HN 0.826 nan 8.210 nan 0.000 0.435 470 G N 4.998 113.795 108.800 -0.006 0.000 2.302 470 G HA2 0.165 4.125 3.960 -0.000 0.000 0.276 470 G HA3 0.165 4.125 3.960 -0.000 0.000 0.276 470 G C -2.204 172.567 174.900 -0.215 0.000 1.316 470 G CA -0.754 44.176 45.100 -0.283 0.000 0.988 470 G HN 0.438 nan 8.290 nan 0.000 0.479 471 F N 2.478 122.208 119.950 -0.367 0.000 2.547 471 F HA 0.790 5.317 4.527 -0.000 0.000 0.316 471 F C -2.280 173.331 175.800 -0.315 0.000 1.121 471 F CA -1.971 55.766 58.000 -0.439 0.000 0.911 471 F CB 2.788 41.557 39.000 -0.385 0.000 1.179 471 F HN 0.467 nan 8.300 nan 0.000 0.443 472 P HA 0.474 nan 4.420 nan 0.000 0.290 472 P C -1.106 175.518 177.300 -1.125 0.000 1.283 472 P CA -0.394 61.642 63.100 -1.773 0.000 0.869 472 P CB 2.541 32.734 31.700 -2.512 0.000 1.100 473 I N 2.550 122.745 120.570 -0.626 0.000 2.359 473 I HA 0.211 4.381 4.170 -0.000 0.000 0.284 473 I C 0.320 176.214 176.117 -0.371 0.000 1.018 473 I CA -0.448 60.592 61.300 -0.434 0.000 1.173 473 I CB 0.706 38.607 38.000 -0.165 0.000 1.326 473 I HN 0.188 nan 8.210 nan 0.000 0.462 474 F N 2.535 122.344 119.950 -0.234 0.000 2.694 474 F HA 0.039 4.566 4.527 -0.000 0.000 0.292 474 F C 1.773 177.504 175.800 -0.115 0.000 1.121 474 F CA -0.195 57.685 58.000 -0.201 0.000 1.352 474 F CB -0.092 38.770 39.000 -0.230 0.000 1.107 474 F HN 0.479 nan 8.300 nan 0.000 0.597 475 D N -0.613 119.830 120.400 0.072 0.000 2.388 475 D HA 0.111 4.751 4.640 -0.000 0.000 0.221 475 D C 0.464 176.793 176.300 0.048 0.000 1.133 475 D CA 0.199 54.230 54.000 0.051 0.000 0.831 475 D CB 0.266 41.059 40.800 -0.010 0.000 0.962 475 D HN -0.022 nan 8.370 nan 0.000 0.502 476 R N -0.203 120.344 120.500 0.077 0.000 2.808 476 R HA 0.415 4.755 4.340 -0.000 0.000 0.272 476 R C -0.714 175.694 176.300 0.180 0.000 0.995 476 R CA -0.578 55.568 56.100 0.077 0.000 0.917 476 R CB 1.364 31.679 30.300 0.025 0.000 1.217 476 R HN 0.223 nan 8.270 nan 0.000 0.471 477 H N 0.271 119.269 119.070 -0.121 0.000 2.472 477 H HA 0.243 4.799 4.556 -0.000 0.000 0.338 477 H C -0.252 174.943 175.328 -0.222 0.000 1.133 477 H CA -0.526 55.344 56.048 -0.297 0.000 1.216 477 H CB 1.285 30.770 29.762 -0.462 0.000 1.497 477 H HN 0.762 nan 8.280 nan 0.000 0.500 478 H N 0.585 119.779 119.070 0.206 0.000 2.958 478 H HA -0.178 4.378 4.556 -0.000 0.000 0.274 478 H C 0.895 176.244 175.328 0.034 0.000 1.184 478 H CA 0.387 56.522 56.048 0.145 0.000 1.143 478 H CB -1.245 28.566 29.762 0.082 0.000 1.297 478 H HN 0.573 nan 8.280 nan 0.000 0.356 479 L N 0.834 122.152 121.223 0.159 0.000 2.376 479 L HA -0.095 4.245 4.340 -0.000 0.000 0.219 479 L C 2.698 179.698 176.870 0.217 0.000 1.133 479 L CA 1.194 56.124 54.840 0.149 0.000 0.816 479 L CB -0.427 41.712 42.059 0.133 0.000 0.933 479 L HN 0.640 nan 8.230 nan 0.000 0.449 480 H N 0.028 119.132 119.070 0.056 0.000 2.567 480 H HA -0.047 4.509 4.556 -0.000 0.000 0.276 480 H C 1.478 176.982 175.328 0.292 0.000 1.016 480 H CA 0.375 56.472 56.048 0.081 0.000 1.186 480 H CB -0.222 29.441 29.762 -0.165 0.000 1.351 480 H HN 0.360 nan 8.280 nan 0.000 0.605 481 R N 0.749 121.118 120.500 -0.218 0.000 2.317 481 R HA 0.162 4.502 4.340 -0.000 0.000 0.208 481 R C 0.471 176.793 176.300 0.037 0.000 0.914 481 R CA -0.063 55.960 56.100 -0.129 0.000 1.060 481 R CB 0.505 30.685 30.300 -0.200 0.000 1.015 481 R HN 0.100 nan 8.270 nan 0.000 0.498 482 S N 0.307 116.079 115.700 0.121 0.000 2.626 482 S HA 0.185 4.655 4.470 -0.000 0.000 0.257 482 S C 0.331 174.875 174.600 -0.093 0.000 1.288 482 S CA 0.006 58.204 58.200 -0.003 0.000 0.980 482 S CB 1.202 64.357 63.200 -0.075 0.000 0.975 482 S HN 0.035 nan 8.310 nan 0.000 0.577 483 T N 0.732 115.155 114.554 -0.218 0.000 2.886 483 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 483 T C 0.656 175.169 174.700 -0.312 0.000 1.012 483 T CA -0.694 61.271 62.100 -0.226 0.000 0.982 483 T CB 1.673 70.463 68.868 -0.130 0.000 1.018 483 T HN 0.729 nan 8.240 nan 0.000 0.451 484 T N -0.365 114.009 114.554 -0.300 0.000 2.986 484 T HA 0.387 4.737 4.350 -0.000 0.000 0.264 484 T C 0.502 175.084 174.700 -0.197 0.000 0.964 484 T CA -0.214 61.747 62.100 -0.232 0.000 0.895 484 T CB -0.003 68.779 68.868 -0.144 0.000 1.163 484 T HN 0.355 nan 8.240 nan 0.000 0.517 485 L N 1.744 122.848 121.223 -0.199 0.000 2.399 485 L HA 0.648 4.988 4.340 -0.000 0.000 0.265 485 L C 1.376 178.088 176.870 -0.264 0.000 1.089 485 L CA 0.009 54.709 54.840 -0.233 0.000 0.802 485 L CB 0.473 42.379 42.059 -0.254 0.000 1.180 485 L HN 0.586 nan 8.230 nan 0.000 0.454 486 G N 0.130 108.733 108.800 -0.330 0.000 2.697 486 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.240 486 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.240 486 G C -0.078 174.618 174.900 -0.339 0.000 1.346 486 G CA 0.351 45.214 45.100 -0.395 0.000 0.887 486 G HN 0.565 nan 8.290 nan 0.000 0.569 487 Y N 0.108 120.339 120.300 -0.115 0.000 2.263 487 Y HA 0.070 4.620 4.550 -0.000 0.000 0.292 487 Y C 2.828 178.655 175.900 -0.122 0.000 1.130 487 Y CA 1.733 59.764 58.100 -0.116 0.000 1.179 487 Y CB -0.464 37.960 38.460 -0.059 0.000 0.998 487 Y HN 0.766 nan 8.280 nan 0.000 0.532 488 E N 0.008 120.227 120.200 0.033 0.000 2.085 488 E HA -0.176 4.173 4.350 -0.000 0.000 0.194 488 E C 2.495 179.050 176.600 -0.075 0.000 0.994 488 E CA 1.249 57.641 56.400 -0.014 0.000 0.801 488 E CB -0.472 29.213 29.700 -0.026 0.000 0.743 488 E HN 0.506 nan 8.360 nan 0.000 0.453 489 G N 0.437 109.155 108.800 -0.136 0.000 2.408 489 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 489 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 489 G C 1.634 176.397 174.900 -0.229 0.000 1.150 489 G CA 0.773 45.761 45.100 -0.187 0.000 0.776 489 G HN 0.401 nan 8.290 nan 0.000 0.542 490 A N 0.752 123.385 122.820 -0.311 0.000 1.933 490 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 490 A C 2.453 179.954 177.584 -0.137 0.000 1.175 490 A CA 1.721 53.442 52.037 -0.527 0.000 0.628 490 A CB -0.340 18.281 19.000 -0.632 0.000 0.814 490 A HN 0.389 nan 8.150 nan 0.000 0.444 491 M N -1.241 118.329 119.600 -0.051 0.000 2.132 491 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 491 M C 2.462 178.767 176.300 0.008 0.000 1.065 491 M CA 1.624 56.934 55.300 0.017 0.000 1.122 491 M CB -0.480 32.127 32.600 0.013 0.000 1.365 491 M HN 0.477 nan 8.290 nan 0.000 0.411 492 Q N 0.450 120.230 119.800 -0.034 0.000 2.084 492 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 492 Q C 2.053 178.038 176.000 -0.025 0.000 0.978 492 Q CA 1.296 57.075 55.803 -0.039 0.000 0.844 492 Q CB -0.104 28.589 28.738 -0.076 0.000 0.898 492 Q HN 0.537 nan 8.270 nan 0.000 0.426 493 I N 0.526 121.083 120.570 -0.022 0.000 2.179 493 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 493 I C 2.373 178.545 176.117 0.092 0.000 1.088 493 I CA 0.907 62.227 61.300 0.032 0.000 1.357 493 I CB -0.203 37.832 38.000 0.059 0.000 1.051 493 I HN 0.272 nan 8.210 nan 0.000 0.409 494 L N 0.213 121.549 121.223 0.190 0.000 2.042 494 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 494 L C 2.571 179.459 176.870 0.030 0.000 1.076 494 L CA 1.791 56.706 54.840 0.125 0.000 0.749 494 L CB -0.403 41.776 42.059 0.199 0.000 0.893 494 L HN 0.240 nan 8.230 nan 0.000 0.432 495 T N -0.878 113.691 114.554 0.025 0.000 2.720 495 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 495 T C 1.721 176.404 174.700 -0.029 0.000 1.037 495 T CA 1.960 64.058 62.100 -0.004 0.000 1.144 495 T CB -0.403 68.462 68.868 -0.006 0.000 0.864 495 T HN 0.462 nan 8.240 nan 0.000 0.444 496 T N 2.430 116.967 114.554 -0.029 0.000 2.708 496 T HA 0.059 4.409 4.350 -0.000 0.000 0.266 496 T C 2.004 176.654 174.700 -0.082 0.000 1.037 496 T CA 0.823 62.895 62.100 -0.048 0.000 1.146 496 T CB -0.434 68.413 68.868 -0.035 0.000 0.865 496 T HN 0.249 nan 8.240 nan 0.000 0.435 497 L N 0.819 121.993 121.223 -0.081 0.000 2.017 497 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 497 L C 2.700 179.494 176.870 -0.127 0.000 1.073 497 L CA 1.174 55.946 54.840 -0.114 0.000 0.745 497 L CB -0.864 41.125 42.059 -0.117 0.000 0.894 497 L HN 0.173 nan 8.230 nan 0.000 0.432 498 V N 0.057 119.923 119.914 -0.079 0.000 2.295 498 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 498 V C 1.907 177.916 176.094 -0.141 0.000 1.049 498 V CA 2.231 64.488 62.300 -0.072 0.000 1.024 498 V CB -0.870 30.938 31.823 -0.025 0.000 0.648 498 V HN 0.513 nan 8.190 nan 0.000 0.447 499 N N -0.118 118.506 118.700 -0.127 0.000 2.331 499 N HA -0.110 4.630 4.740 -0.000 0.000 0.180 499 N C 1.956 177.379 175.510 -0.145 0.000 1.019 499 N CA 1.074 54.041 53.050 -0.138 0.000 0.881 499 N CB -0.091 38.338 38.487 -0.096 0.000 0.972 499 N HN 0.336 nan 8.380 nan 0.000 0.435 500 S N 0.882 116.476 115.700 -0.177 0.000 2.368 500 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 500 S C 1.917 176.380 174.600 -0.229 0.000 1.029 500 S CA 0.595 58.669 58.200 -0.209 0.000 0.988 500 S CB -0.064 62.933 63.200 -0.339 0.000 0.838 500 S HN 0.252 nan 8.310 nan 0.000 0.462 501 I N 1.396 121.777 120.570 -0.315 0.000 2.208 501 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 501 I C 1.937 178.001 176.117 -0.088 0.000 1.097 501 I CA 1.225 62.453 61.300 -0.120 0.000 1.363 501 I CB -0.315 37.642 38.000 -0.072 0.000 1.051 501 I HN 0.247 nan 8.210 nan 0.000 0.413 502 L N -0.058 121.026 121.223 -0.233 0.000 2.156 502 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 502 L C 2.380 179.143 176.870 -0.179 0.000 1.095 502 L CA 1.074 55.716 54.840 -0.330 0.000 0.770 502 L CB -0.496 41.302 42.059 -0.434 0.000 0.914 502 L HN 0.227 nan 8.230 nan 0.000 0.439 503 E N -0.072 120.065 120.200 -0.104 0.000 2.051 503 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 503 E C 2.242 178.844 176.600 0.005 0.000 0.991 503 E CA 0.905 57.278 56.400 -0.045 0.000 0.799 503 E CB 0.039 29.726 29.700 -0.021 0.000 0.748 503 E HN 0.141 nan 8.360 nan 0.000 0.449 504 R N 1.080 121.619 120.500 0.067 0.000 2.075 504 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 504 R C 2.143 178.466 176.300 0.038 0.000 1.126 504 R CA 0.980 57.139 56.100 0.098 0.000 0.963 504 R CB -0.717 29.727 30.300 0.240 0.000 0.858 504 R HN 0.208 nan 8.270 nan 0.000 0.435 505 L N 0.158 121.388 121.223 0.012 0.000 2.046 505 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 505 L C 1.257 178.122 176.870 -0.008 0.000 1.077 505 L CA 1.934 56.764 54.840 -0.016 0.000 0.747 505 L CB -0.484 41.524 42.059 -0.086 0.000 0.896 505 L HN 0.249 nan 8.230 nan 0.000 0.432 506 D N -0.130 120.258 120.400 -0.020 0.000 2.104 506 D HA -0.268 4.372 4.640 -0.000 0.000 0.194 506 D C 1.981 178.350 176.300 0.115 0.000 0.994 506 D CA 1.430 55.470 54.000 0.068 0.000 0.830 506 D CB 0.022 40.830 40.800 0.015 0.000 0.959 506 D HN 0.427 nan 8.370 nan 0.000 0.452 507 E N 0.632 120.858 120.200 0.043 0.000 2.118 507 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 507 E C 1.612 178.201 176.600 -0.018 0.000 0.992 507 E CA 0.934 57.342 56.400 0.013 0.000 0.804 507 E CB 0.103 29.808 29.700 0.008 0.000 0.741 507 E HN 0.340 nan 8.360 nan 0.000 0.458 508 E N -0.569 119.621 120.200 -0.017 0.000 2.274 508 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 508 E C 1.368 177.925 176.600 -0.072 0.000 0.996 508 E CA 1.383 57.757 56.400 -0.043 0.000 0.840 508 E CB 0.189 29.866 29.700 -0.039 0.000 0.772 508 E HN 0.314 nan 8.360 nan 0.000 0.491 509 T N -2.182 112.340 114.554 -0.053 0.000 3.215 509 T HA 0.229 4.579 4.350 -0.000 0.000 0.271 509 T C 1.173 175.707 174.700 -0.276 0.000 1.012 509 T CA -0.483 61.547 62.100 -0.117 0.000 0.899 509 T CB 0.295 69.148 68.868 -0.025 0.000 1.089 509 T HN -0.078 nan 8.240 nan 0.000 0.552 510 R N 0.970 121.283 120.500 -0.312 0.000 2.310 510 R HA 0.265 4.605 4.340 -0.000 0.000 0.202 510 R C 1.088 177.201 176.300 -0.313 0.000 0.933 510 R CA -0.066 55.715 56.100 -0.530 0.000 1.054 510 R CB -0.308 29.805 30.300 -0.311 0.000 0.985 510 R HN 0.457 nan 8.270 nan 0.000 0.489 511 G N 1.380 110.056 108.800 -0.206 0.000 2.367 511 G HA2 0.084 4.044 3.960 -0.000 0.000 0.280 511 G HA3 0.084 4.044 3.960 -0.000 0.000 0.280 511 G C -0.310 174.521 174.900 -0.114 0.000 1.175 511 G CA -0.421 44.602 45.100 -0.129 0.000 1.001 511 G HN 0.213 nan 8.290 nan 0.000 0.437 512 M N 2.297 121.843 119.600 -0.089 0.000 2.252 512 M HA 0.063 4.543 4.480 -0.000 0.000 0.348 512 M C 1.138 177.425 176.300 -0.021 0.000 1.334 512 M CA 0.606 55.873 55.300 -0.056 0.000 1.071 512 M CB 0.315 32.890 32.600 -0.041 0.000 1.763 512 M HN 0.828 nan 8.290 nan 0.000 0.452 513 Q N 2.075 121.877 119.800 0.004 0.000 2.475 513 Q HA -0.303 4.037 4.340 -0.000 0.000 0.280 513 Q C -0.680 175.346 176.000 0.044 0.000 1.234 513 Q CA 0.930 56.754 55.803 0.034 0.000 0.873 513 Q CB -0.877 27.875 28.738 0.024 0.000 1.256 513 Q HN 0.901 nan 8.270 nan 0.000 0.475 514 A N -1.859 120.985 122.820 0.039 0.000 1.728 514 A HA 0.213 4.533 4.320 -0.000 0.000 0.202 514 A C 1.266 178.887 177.584 0.061 0.000 1.758 514 A CA 0.810 52.876 52.037 0.047 0.000 1.146 514 A CB 0.141 19.142 19.000 0.002 0.000 1.056 514 A HN 0.745 nan 8.150 nan 0.000 0.539 515 T N -1.785 112.719 114.554 -0.084 0.000 3.016 515 T HA 0.085 4.435 4.350 -0.000 0.000 0.271 515 T C 0.787 175.192 174.700 -0.491 0.000 0.968 515 T CA 0.896 62.801 62.100 -0.325 0.000 0.891 515 T CB 0.025 68.753 68.868 -0.234 0.000 1.149 515 T HN 0.382 nan 8.240 nan 0.000 0.524 516 D N 1.893 122.149 120.400 -0.241 0.000 2.392 516 D HA -0.157 4.483 4.640 -0.000 0.000 0.228 516 D C 1.603 177.864 176.300 -0.065 0.000 1.003 516 D CA 0.351 54.251 54.000 -0.166 0.000 0.917 516 D CB -0.698 40.022 40.800 -0.135 0.000 0.890 516 D HN 0.679 nan 8.370 nan 0.000 0.532 517 Y N 0.541 120.867 120.300 0.042 0.000 2.333 517 Y HA -0.036 4.514 4.550 -0.000 0.000 0.290 517 Y C 1.316 177.256 175.900 0.067 0.000 1.144 517 Y CA 1.028 59.156 58.100 0.047 0.000 1.228 517 Y CB -1.227 37.251 38.460 0.031 0.000 0.985 517 Y HN -0.040 nan 8.280 nan 0.000 0.542 518 N N -0.260 118.303 118.700 -0.227 0.000 2.321 518 N HA -0.025 4.715 4.740 -0.000 0.000 0.242 518 N C -0.631 174.890 175.510 0.019 0.000 1.141 518 N CA -0.207 52.827 53.050 -0.028 0.000 0.864 518 N CB -0.675 37.751 38.487 -0.101 0.000 1.100 518 N HN 0.389 nan 8.380 nan 0.000 0.510 519 H N 0.130 119.153 119.070 -0.078 0.000 2.557 519 H HA 0.244 4.800 4.556 -0.000 0.000 0.236 519 H C -0.724 174.592 175.328 -0.019 0.000 1.676 519 H CA -0.674 55.339 56.048 -0.060 0.000 1.197 519 H CB -0.691 29.032 29.762 -0.065 0.000 1.604 519 H HN 0.152 nan 8.280 nan 0.000 0.509 520 D N 1.356 121.726 120.400 -0.050 0.000 2.472 520 D HA -0.115 4.525 4.640 -0.000 0.000 0.237 520 D C 1.499 177.727 176.300 -0.119 0.000 1.141 520 D CA -0.067 53.908 54.000 -0.042 0.000 0.875 520 D CB 1.174 41.989 40.800 0.024 0.000 1.192 520 D HN 0.388 nan 8.370 nan 0.000 0.450 521 L N 2.936 124.119 121.223 -0.066 0.000 2.109 521 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 521 L C 0.208 177.045 176.870 -0.056 0.000 1.086 521 L CA 1.306 56.102 54.840 -0.072 0.000 0.760 521 L CB 0.344 42.385 42.059 -0.031 0.000 0.910 521 L HN 0.195 nan 8.230 nan 0.000 0.437 522 V N 2.357 122.260 119.914 -0.018 0.000 2.398 522 V HA 0.535 4.655 4.120 -0.000 0.000 0.286 522 V C 0.067 176.190 176.094 0.049 0.000 1.026 522 V CA -0.804 61.501 62.300 0.009 0.000 0.868 522 V CB 1.169 33.008 31.823 0.027 0.000 0.982 522 V HN 0.198 nan 8.190 nan 0.000 0.443 523 R N 0.000 120.531 120.500 0.051 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.192 56.100 0.153 0.000 0.921 523 R CB 0.000 30.205 30.300 -0.159 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535