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 3cxz_1_A DATA FIRST_RESID 2 DATA SEQUENCE TATVLLEVPF SARGDRIPDA VAELRTREPI RKVRTITGAE AWLVSSYALC DATA SEQUENCE TQVLEDRRFS MKETAAAGAP RLNALTVPPE VVNNMGNIAD AGLRKAVMKA DATA SEQUENCE ITPKAPGLEQ FLRDTANSLL DNLITEGAPA DLRNDFADPL ATALHCKVLG DATA SEQUENCE IPQEDGPKLF RSLSIAFMSS ADPIPAAKIN WDRDIEYMAG ILENPNITTG DATA SEQUENCE LMGELSRLRK DPAYSHVSDE LFATIGVTFF GAGVISTGSF LTTALISLIQ DATA SEQUENCE RPQLRNLLHE KPELIPAGVE ELLRINLSFA DGLPRLATAD IQVGDVLVRK DATA SEQUENCE GELVLVLLEG ANFDPEHFPN PGSIELDRPN PTSHLAFGRG QHFCPGSALG DATA SEQUENCE RRHAQIGIEA LLKKMPGVDL AVPIDQLVWR TRFQLRIPER LPVLW 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.699 174.700 -0.001 0.000 1.109 2 T CA 0.000 nan 62.100 nan 0.000 1.349 2 T CB 0.000 nan 68.868 nan 0.000 0.612 3 A N 1.693 124.512 122.820 -0.001 0.000 2.540 3 A HA 0.599 4.898 4.320 -0.036 0.000 0.239 3 A C 0.920 178.504 177.584 -0.001 0.000 1.061 3 A CA 1.029 53.065 52.037 -0.001 0.000 0.758 3 A CB -0.825 18.174 19.000 -0.001 0.000 0.991 3 A HN 1.914 nan 8.150 nan 0.000 0.502 4 T N -0.460 114.093 114.554 -0.002 0.000 2.907 4 T HA 0.632 4.961 4.350 -0.036 0.000 0.292 4 T C 0.065 174.764 174.700 -0.002 0.000 1.043 4 T CA -0.184 61.915 62.100 -0.002 0.000 1.003 4 T CB 0.873 69.740 68.868 -0.002 0.000 1.084 4 T HN 1.659 nan 8.240 nan 0.000 0.483 5 V N 0.819 120.732 119.914 -0.002 0.000 3.051 5 V HA 0.552 4.650 4.120 -0.036 0.000 0.306 5 V C 0.565 176.657 176.094 -0.003 0.000 1.083 5 V CA -1.155 61.143 62.300 -0.004 0.000 1.104 5 V CB 0.165 31.986 31.823 -0.003 0.000 1.027 5 V HN 0.944 nan 8.190 nan 0.000 0.483 6 L N 3.139 124.356 121.223 -0.011 0.000 2.525 6 L HA 0.222 4.541 4.340 -0.036 0.000 0.278 6 L C 0.140 177.011 176.870 0.003 0.000 1.218 6 L CA 0.112 54.943 54.840 -0.014 0.000 0.878 6 L CB 0.069 42.106 42.059 -0.037 0.000 1.127 6 L HN 0.860 nan 8.230 nan 0.000 0.492 7 L N 5.224 126.459 121.223 0.020 0.000 2.601 7 L HA 0.025 4.344 4.340 -0.036 0.000 0.277 7 L C 0.095 177.008 176.870 0.071 0.000 1.219 7 L CA 0.847 55.725 54.840 0.063 0.000 0.915 7 L CB -0.188 41.929 42.059 0.097 0.000 1.160 7 L HN 0.713 nan 8.230 nan 0.000 0.494 8 E N 3.869 124.122 120.200 0.089 0.000 2.266 8 E HA 0.532 4.861 4.350 -0.036 0.000 0.277 8 E C -0.781 175.854 176.600 0.057 0.000 1.018 8 E CA -0.678 55.754 56.400 0.053 0.000 0.840 8 E CB 1.640 31.364 29.700 0.040 0.000 1.082 8 E HN 0.559 nan 8.360 nan 0.000 0.395 9 V N -0.079 119.794 119.914 -0.068 0.000 2.864 9 V HA 0.645 4.744 4.120 -0.036 0.000 0.314 9 V C -2.430 173.574 176.094 -0.149 0.000 1.073 9 V CA -2.420 59.740 62.300 -0.233 0.000 0.956 9 V CB 1.344 32.964 31.823 -0.340 0.000 1.023 9 V HN 0.567 nan 8.190 nan 0.000 0.435 10 P HA 0.394 nan 4.420 nan 0.000 0.276 10 P C 0.328 177.520 177.300 -0.181 0.000 1.252 10 P CA -0.280 62.648 63.100 -0.287 0.000 0.802 10 P CB 1.037 32.643 31.700 -0.157 0.000 1.035 11 F N -0.599 119.335 119.950 -0.027 0.000 2.149 11 F HA -0.006 4.502 4.527 -0.032 0.000 0.294 11 F C 1.619 177.392 175.800 -0.045 0.000 1.095 11 F CA 0.838 58.816 58.000 -0.037 0.000 1.276 11 F CB 0.021 38.992 39.000 -0.048 0.000 1.023 11 F HN 0.303 nan 8.300 nan 0.000 0.480 12 S N -1.051 114.724 115.700 0.125 0.000 2.543 12 S HA 0.609 5.057 4.470 -0.036 0.000 0.273 12 S C 0.033 174.614 174.600 -0.031 0.000 1.152 12 S CA -0.353 57.861 58.200 0.023 0.000 0.910 12 S CB 1.644 64.832 63.200 -0.020 0.000 1.105 12 S HN 0.164 nan 8.310 nan 0.000 0.465 13 A N 3.644 126.449 122.820 -0.024 0.000 2.206 13 A HA 0.265 4.564 4.320 -0.036 0.000 0.211 13 A C 1.002 178.485 177.584 -0.169 0.000 1.158 13 A CA 0.226 52.260 52.037 -0.005 0.000 0.761 13 A CB -0.273 18.788 19.000 0.103 0.000 0.801 13 A HN 0.772 nan 8.150 nan 0.000 0.473 14 R N -0.472 119.787 120.500 -0.402 0.000 2.489 14 R HA 0.257 4.575 4.340 -0.036 0.000 0.287 14 R C 1.035 176.691 176.300 -1.074 0.000 1.053 14 R CA 0.457 55.895 56.100 -1.104 0.000 1.036 14 R CB 0.493 30.339 30.300 -0.755 0.000 0.966 14 R HN 0.252 nan 8.270 nan 0.000 0.432 15 G N 1.612 109.263 108.800 -1.915 0.000 3.277 15 G HA2 -0.094 3.845 3.960 -0.036 0.000 0.243 15 G HA3 -0.094 3.845 3.960 -0.036 0.000 0.243 15 G C 0.444 175.047 174.900 -0.495 0.000 1.107 15 G CA -0.254 44.316 45.100 -0.884 0.000 0.771 15 G HN 0.701 nan 8.290 nan 0.000 0.544 16 D N 0.193 120.275 120.400 -0.530 0.000 2.360 16 D HA 0.044 4.663 4.640 -0.036 0.000 0.210 16 D C 0.984 177.241 176.300 -0.072 0.000 1.047 16 D CA -0.190 53.763 54.000 -0.079 0.000 0.854 16 D CB 0.327 41.207 40.800 0.133 0.000 0.936 16 D HN 0.515 nan 8.370 nan 0.000 0.514 17 R N -0.563 119.840 120.500 -0.162 0.000 2.643 17 R HA 0.522 4.841 4.340 -0.036 0.000 0.269 17 R C -1.455 174.733 176.300 -0.188 0.000 1.037 17 R CA -0.933 55.095 56.100 -0.120 0.000 0.894 17 R CB 0.988 31.231 30.300 -0.095 0.000 1.238 17 R HN -0.027 nan 8.270 nan 0.000 0.459 18 I N 2.934 123.363 120.570 -0.235 0.000 2.428 18 I HA 0.319 4.468 4.170 -0.036 0.000 0.289 18 I C -1.924 174.071 176.117 -0.203 0.000 1.019 18 I CA -2.224 58.885 61.300 -0.318 0.000 1.351 18 I CB 1.543 39.136 38.000 -0.679 0.000 1.412 18 I HN 0.582 nan 8.210 nan 0.000 0.513 19 P HA 0.097 nan 4.420 nan 0.000 0.268 19 P C -0.173 177.044 177.300 -0.138 0.000 1.204 19 P CA -0.104 62.918 63.100 -0.129 0.000 0.768 19 P CB 0.499 32.129 31.700 -0.117 0.000 0.842 20 D N 2.168 122.501 120.400 -0.112 0.000 2.228 20 D HA -0.184 4.435 4.640 -0.036 0.000 0.203 20 D C 1.854 178.085 176.300 -0.115 0.000 0.988 20 D CA 1.708 55.652 54.000 -0.093 0.000 0.864 20 D CB -0.396 40.362 40.800 -0.070 0.000 0.928 20 D HN 0.419 nan 8.370 nan 0.000 0.469 21 A N 0.280 122.997 122.820 -0.171 0.000 2.019 21 A HA -0.135 4.163 4.320 -0.036 0.000 0.219 21 A C 2.469 179.915 177.584 -0.230 0.000 1.164 21 A CA 0.970 52.864 52.037 -0.239 0.000 0.644 21 A CB -0.506 18.258 19.000 -0.393 0.000 0.805 21 A HN 0.169 nan 8.150 nan 0.000 0.449 22 V N -0.259 119.548 119.914 -0.178 0.000 2.343 22 V HA -0.254 3.844 4.120 -0.036 0.000 0.247 22 V C 3.036 179.115 176.094 -0.024 0.000 1.051 22 V CA 1.935 64.194 62.300 -0.068 0.000 1.036 22 V CB -1.197 30.614 31.823 -0.020 0.000 0.654 22 V HN 0.609 nan 8.190 nan 0.000 0.451 23 A N -0.133 122.670 122.820 -0.028 0.000 1.930 23 A HA -0.179 4.120 4.320 -0.036 0.000 0.217 23 A C 2.293 179.879 177.584 0.002 0.000 1.175 23 A CA 1.828 53.871 52.037 0.011 0.000 0.627 23 A CB -0.473 18.538 19.000 0.018 0.000 0.815 23 A HN 0.525 nan 8.150 nan 0.000 0.443 24 E N -0.733 119.450 120.200 -0.029 0.000 2.051 24 E HA -0.164 4.165 4.350 -0.036 0.000 0.192 24 E C 2.054 178.644 176.600 -0.017 0.000 0.991 24 E CA 1.200 57.583 56.400 -0.028 0.000 0.799 24 E CB -0.718 28.949 29.700 -0.054 0.000 0.748 24 E HN 0.570 nan 8.360 nan 0.000 0.449 25 L N 0.554 121.760 121.223 -0.028 0.000 2.017 25 L HA -0.073 4.246 4.340 -0.036 0.000 0.208 25 L C 2.639 179.532 176.870 0.039 0.000 1.073 25 L CA 1.897 56.741 54.840 0.008 0.000 0.745 25 L CB -0.440 41.632 42.059 0.021 0.000 0.894 25 L HN 0.088 nan 8.230 nan 0.000 0.432 26 R N -1.415 119.113 120.500 0.046 0.000 2.091 26 R HA -0.171 4.148 4.340 -0.036 0.000 0.238 26 R C 2.040 178.370 176.300 0.050 0.000 1.136 26 R CA 2.009 58.146 56.100 0.062 0.000 0.959 26 R CB -0.307 30.040 30.300 0.079 0.000 0.856 26 R HN 0.349 nan 8.270 nan 0.000 0.437 27 T N -0.102 114.475 114.554 0.039 0.000 2.737 27 T HA -0.112 4.216 4.350 -0.036 0.000 0.265 27 T C 2.234 176.951 174.700 0.028 0.000 1.038 27 T CA 2.042 64.161 62.100 0.032 0.000 1.144 27 T CB -0.208 68.674 68.868 0.024 0.000 0.866 27 T HN 0.480 nan 8.240 nan 0.000 0.434 28 R N 0.942 121.457 120.500 0.024 0.000 2.112 28 R HA 0.303 4.622 4.340 -0.036 0.000 0.216 28 R C 1.215 177.534 176.300 0.033 0.000 1.080 28 R CA 1.045 57.159 56.100 0.023 0.000 0.996 28 R CB -0.205 30.105 30.300 0.016 0.000 0.902 28 R HN 0.524 nan 8.270 nan 0.000 0.449 29 E N -0.345 119.880 120.200 0.042 0.000 3.079 29 E HA 0.168 4.497 4.350 -0.036 0.000 0.329 29 E C -2.335 174.307 176.600 0.069 0.000 1.166 29 E CA -1.214 55.220 56.400 0.058 0.000 0.876 29 E CB 1.828 31.571 29.700 0.071 0.000 1.479 29 E HN 0.187 nan 8.360 nan 0.000 0.384 30 P HA -0.025 nan 4.420 nan 0.000 0.230 30 P C 0.408 177.741 177.300 0.055 0.000 1.158 30 P CA 0.605 63.739 63.100 0.056 0.000 0.769 30 P CB 0.534 32.260 31.700 0.042 0.000 0.807 31 I N 0.279 120.883 120.570 0.057 0.000 2.447 31 I HA 0.471 4.619 4.170 -0.036 0.000 0.287 31 I C -0.945 175.292 176.117 0.201 0.000 1.023 31 I CA -1.259 60.096 61.300 0.091 0.000 1.083 31 I CB 1.310 39.293 38.000 -0.028 0.000 1.245 31 I HN -0.187 nan 8.210 nan 0.000 0.434 32 R N 5.236 125.929 120.500 0.322 0.000 2.710 32 R HA 0.480 4.798 4.340 -0.036 0.000 0.270 32 R C -1.656 174.834 176.300 0.316 0.000 1.021 32 R CA -1.057 55.269 56.100 0.376 0.000 0.889 32 R CB 1.080 31.504 30.300 0.207 0.000 1.243 32 R HN 0.411 nan 8.270 nan 0.000 0.464 33 K N 1.430 121.898 120.400 0.113 0.000 2.298 33 K HA 0.419 4.717 4.320 -0.036 0.000 0.280 33 K C -0.438 176.083 176.600 -0.131 0.000 1.032 33 K CA -0.397 55.712 56.287 -0.298 0.000 0.958 33 K CB 0.971 33.179 32.500 -0.487 0.000 0.978 33 K HN 0.556 nan 8.250 nan 0.000 0.472 34 V N 0.542 120.355 119.914 -0.168 0.000 3.160 34 V HA 0.616 4.715 4.120 -0.036 0.000 0.310 34 V C -1.176 174.847 176.094 -0.118 0.000 1.181 34 V CA -1.267 60.983 62.300 -0.083 0.000 1.047 34 V CB 1.798 33.602 31.823 -0.032 0.000 1.068 34 V HN 0.850 nan 8.190 nan 0.000 0.441 35 R N 1.059 121.514 120.500 -0.075 0.000 2.445 35 R HA 0.670 4.989 4.340 -0.036 0.000 0.308 35 R C 0.114 176.373 176.300 -0.067 0.000 0.961 35 R CA 0.230 56.285 56.100 -0.076 0.000 0.862 35 R CB 1.774 32.041 30.300 -0.054 0.000 1.144 35 R HN 1.183 nan 8.270 nan 0.000 0.447 36 T N 0.968 115.478 114.554 -0.073 0.000 2.810 36 T HA 0.176 4.505 4.350 -0.036 0.000 0.277 36 T C 1.794 176.463 174.700 -0.051 0.000 0.973 36 T CA -0.645 61.414 62.100 -0.068 0.000 0.949 36 T CB 0.561 69.389 68.868 -0.068 0.000 1.075 36 T HN 0.678 nan 8.240 nan 0.000 0.537 37 I N -1.116 119.426 120.570 -0.047 0.000 2.700 37 I HA -0.030 4.119 4.170 -0.036 0.000 0.261 37 I C 2.155 178.253 176.117 -0.032 0.000 1.219 37 I CA 1.482 62.761 61.300 -0.034 0.000 1.463 37 I CB -1.163 36.820 38.000 -0.028 0.000 1.092 37 I HN 0.824 nan 8.210 nan 0.000 0.452 38 T N -2.149 112.382 114.554 -0.038 0.000 3.088 38 T HA 0.365 4.694 4.350 -0.036 0.000 0.259 38 T C 1.644 176.323 174.700 -0.035 0.000 1.122 38 T CA 0.580 62.658 62.100 -0.036 0.000 1.095 38 T CB 0.136 68.980 68.868 -0.040 0.000 0.930 38 T HN 0.740 nan 8.240 nan 0.000 0.508 39 G N 1.052 109.829 108.800 -0.038 0.000 2.194 39 G HA2 -0.040 3.899 3.960 -0.036 0.000 0.236 39 G HA3 -0.040 3.899 3.960 -0.036 0.000 0.236 39 G C 0.365 175.235 174.900 -0.049 0.000 0.987 39 G CA -0.099 44.978 45.100 -0.039 0.000 0.635 39 G HN 1.170 nan 8.290 nan 0.000 0.520 40 A N 0.232 123.020 122.820 -0.054 0.000 2.425 40 A HA 0.591 4.890 4.320 -0.036 0.000 0.242 40 A C 0.485 178.015 177.584 -0.091 0.000 1.077 40 A CA 0.428 52.426 52.037 -0.065 0.000 0.781 40 A CB 0.266 19.231 19.000 -0.058 0.000 1.020 40 A HN 0.527 nan 8.150 nan 0.000 0.494 41 E N -0.280 119.849 120.200 -0.117 0.000 2.319 41 E HA 0.576 4.904 4.350 -0.036 0.000 0.268 41 E C -0.133 176.336 176.600 -0.218 0.000 1.050 41 E CA -0.125 56.163 56.400 -0.187 0.000 0.878 41 E CB 1.543 31.104 29.700 -0.232 0.000 1.066 41 E HN 0.838 nan 8.360 nan 0.000 0.406 42 A N 1.783 124.424 122.820 -0.299 0.000 2.609 42 A HA 0.491 4.789 4.320 -0.036 0.000 0.291 42 A C -2.101 175.246 177.584 -0.396 0.000 1.096 42 A CA -0.840 51.036 52.037 -0.268 0.000 0.684 42 A CB 0.770 19.703 19.000 -0.112 0.000 1.282 42 A HN 0.610 nan 8.150 nan 0.000 0.412 43 W N 1.243 122.539 121.300 -0.007 0.000 2.316 43 W HA 0.541 5.194 4.660 -0.011 0.000 0.308 43 W C -0.019 176.481 176.519 -0.032 0.000 1.106 43 W CA -0.377 56.961 57.345 -0.012 0.000 1.262 43 W CB 1.456 30.909 29.460 -0.012 0.000 1.233 43 W HN 0.479 nan 8.180 nan 0.000 0.447 44 L N 5.854 127.196 121.223 0.198 0.000 2.265 44 L HA 0.545 4.863 4.340 -0.036 0.000 0.288 44 L C -0.814 176.127 176.870 0.119 0.000 1.058 44 L CA -0.514 54.391 54.840 0.108 0.000 0.809 44 L CB 0.901 43.010 42.059 0.083 0.000 1.179 44 L HN 0.155 nan 8.230 nan 0.000 0.429 45 V N 5.103 125.050 119.914 0.056 0.000 2.417 45 V HA 0.395 4.494 4.120 -0.036 0.000 0.291 45 V C 0.742 176.854 176.094 0.029 0.000 1.024 45 V CA -0.091 62.223 62.300 0.023 0.000 0.861 45 V CB 1.453 33.246 31.823 -0.051 0.000 0.985 45 V HN 0.932 nan 8.190 nan 0.000 0.436 46 S N 0.982 116.712 115.700 0.051 0.000 2.787 46 S HA 0.169 4.618 4.470 -0.036 0.000 0.255 46 S C 0.520 175.172 174.600 0.086 0.000 1.051 46 S CA 0.107 58.354 58.200 0.077 0.000 1.124 46 S CB 0.378 63.644 63.200 0.109 0.000 1.104 46 S HN 0.799 nan 8.310 nan 0.000 0.623 47 S N 0.393 116.133 115.700 0.066 0.000 2.608 47 S HA 0.549 4.998 4.470 -0.036 0.000 0.291 47 S C 0.530 175.184 174.600 0.091 0.000 1.146 47 S CA -0.671 57.587 58.200 0.095 0.000 1.043 47 S CB 0.846 64.093 63.200 0.078 0.000 1.037 47 S HN 0.227 nan 8.310 nan 0.000 0.520 48 Y N 2.430 122.735 120.300 0.009 0.000 2.128 48 Y HA -0.124 4.406 4.550 -0.034 0.000 0.284 48 Y C 2.508 178.363 175.900 -0.074 0.000 1.154 48 Y CA 2.339 60.405 58.100 -0.056 0.000 1.149 48 Y CB -0.934 37.446 38.460 -0.134 0.000 0.976 48 Y HN 0.892 nan 8.280 nan 0.000 0.505 49 A N 0.108 123.015 122.820 0.146 0.000 1.877 49 A HA -0.170 4.128 4.320 -0.036 0.000 0.216 49 A C 2.261 179.826 177.584 -0.032 0.000 1.186 49 A CA 1.995 54.073 52.037 0.069 0.000 0.620 49 A CB -1.097 17.952 19.000 0.082 0.000 0.822 49 A HN 0.547 nan 8.150 nan 0.000 0.443 50 L N -1.117 120.085 121.223 -0.034 0.000 2.179 50 L HA -0.154 4.165 4.340 -0.036 0.000 0.208 50 L C 2.656 179.453 176.870 -0.122 0.000 1.096 50 L CA 0.713 55.511 54.840 -0.069 0.000 0.779 50 L CB -0.685 41.341 42.059 -0.055 0.000 0.922 50 L HN 0.468 nan 8.230 nan 0.000 0.443 51 C N -0.283 118.936 119.300 -0.135 0.000 2.432 51 C HA -0.165 4.273 4.460 -0.036 0.000 0.277 51 C C 2.978 177.845 174.990 -0.206 0.000 1.249 51 C CA 1.461 60.377 59.018 -0.171 0.000 1.725 51 C CB -0.809 26.829 27.740 -0.171 0.000 2.028 51 C HN 0.512 nan 8.230 nan 0.000 0.477 52 T N 0.041 114.430 114.554 -0.275 0.000 2.708 52 T HA -0.258 4.071 4.350 -0.036 0.000 0.266 52 T C 1.871 176.500 174.700 -0.119 0.000 1.037 52 T CA 1.705 63.660 62.100 -0.242 0.000 1.146 52 T CB -0.418 68.276 68.868 -0.289 0.000 0.865 52 T HN 0.661 nan 8.240 nan 0.000 0.435 53 Q N 0.426 120.170 119.800 -0.092 0.000 2.061 53 Q HA -0.145 4.174 4.340 -0.036 0.000 0.204 53 Q C 2.364 178.359 176.000 -0.009 0.000 0.984 53 Q CA 1.613 57.398 55.803 -0.030 0.000 0.846 53 Q CB -0.253 28.473 28.738 -0.020 0.000 0.902 53 Q HN 0.372 nan 8.270 nan 0.000 0.421 54 V N 1.060 120.899 119.914 -0.126 0.000 2.307 54 V HA -0.270 3.828 4.120 -0.036 0.000 0.245 54 V C 2.368 178.444 176.094 -0.029 0.000 1.045 54 V CA 1.546 63.699 62.300 -0.245 0.000 1.024 54 V CB -0.492 31.014 31.823 -0.529 0.000 0.651 54 V HN 0.399 nan 8.190 nan 0.000 0.449 55 L N -0.372 120.824 121.223 -0.046 0.000 2.201 55 L HA -0.129 4.190 4.340 -0.036 0.000 0.212 55 L C 2.187 179.092 176.870 0.058 0.000 1.105 55 L CA 1.360 56.210 54.840 0.017 0.000 0.775 55 L CB -0.436 41.613 42.059 -0.015 0.000 0.913 55 L HN 0.414 nan 8.230 nan 0.000 0.440 56 E N -0.942 119.284 120.200 0.043 0.000 2.479 56 E HA -0.037 4.292 4.350 -0.036 0.000 0.193 56 E C -0.100 176.544 176.600 0.072 0.000 1.049 56 E CA -0.100 56.325 56.400 0.043 0.000 0.870 56 E CB 0.305 30.012 29.700 0.012 0.000 0.944 56 E HN 0.172 nan 8.360 nan 0.000 0.492 57 D N 0.524 121.009 120.400 0.141 0.000 2.461 57 D HA 0.126 4.744 4.640 -0.036 0.000 0.240 57 D C 0.546 176.939 176.300 0.155 0.000 1.094 57 D CA -0.376 53.713 54.000 0.149 0.000 0.868 57 D CB 0.577 41.519 40.800 0.236 0.000 1.062 57 D HN -0.141 nan 8.370 nan 0.000 0.530 58 R N 2.074 122.620 120.500 0.077 0.000 2.285 58 R HA 0.015 4.334 4.340 -0.036 0.000 0.213 58 R C 1.611 177.930 176.300 0.032 0.000 1.068 58 R CA 0.573 56.719 56.100 0.077 0.000 1.004 58 R CB 0.285 30.611 30.300 0.043 0.000 0.873 58 R HN 0.336 nan 8.270 nan 0.000 0.467 59 R N -0.175 120.288 120.500 -0.061 0.000 2.241 59 R HA -0.062 4.256 4.340 -0.036 0.000 0.224 59 R C -0.114 176.016 176.300 -0.284 0.000 1.101 59 R CA 0.637 56.622 56.100 -0.191 0.000 0.995 59 R CB -0.019 30.105 30.300 -0.293 0.000 0.870 59 R HN 0.025 nan 8.270 nan 0.000 0.463 60 F N 0.832 120.798 119.950 0.026 0.000 2.405 60 F HA 0.147 4.650 4.527 -0.041 0.000 0.358 60 F C 0.584 176.412 175.800 0.047 0.000 1.151 60 F CA -0.385 57.634 58.000 0.032 0.000 1.161 60 F CB 0.965 39.981 39.000 0.027 0.000 1.245 60 F HN -0.215 nan 8.300 nan 0.000 0.545 61 S N 4.832 120.633 115.700 0.169 0.000 2.480 61 S HA 0.282 4.731 4.470 -0.036 0.000 0.286 61 S C 1.141 175.796 174.600 0.091 0.000 1.180 61 S CA -0.779 57.495 58.200 0.122 0.000 1.075 61 S CB 0.823 64.065 63.200 0.071 0.000 0.996 61 S HN 0.838 nan 8.310 nan 0.000 0.487 62 M N 5.057 124.695 119.600 0.063 0.000 2.098 62 M HA -0.008 4.451 4.480 -0.036 0.000 0.262 62 M C 2.126 178.400 176.300 -0.043 0.000 1.072 62 M CA 1.672 56.929 55.300 -0.072 0.000 1.133 62 M CB -0.420 31.944 32.600 -0.395 0.000 1.344 62 M HN 0.828 nan 8.290 nan 0.000 0.414 63 K N 0.098 120.499 120.400 0.002 0.000 2.059 63 K HA -0.215 4.083 4.320 -0.036 0.000 0.212 63 K C 1.524 178.125 176.600 0.002 0.000 1.050 63 K CA 1.920 58.212 56.287 0.008 0.000 0.927 63 K CB -0.108 32.418 32.500 0.043 0.000 0.714 63 K HN 0.368 nan 8.250 nan 0.000 0.447 64 E N 0.053 120.262 120.200 0.015 0.000 2.418 64 E HA -0.092 4.236 4.350 -0.036 0.000 0.197 64 E C 1.831 178.434 176.600 0.005 0.000 1.026 64 E CA 1.338 57.745 56.400 0.012 0.000 0.862 64 E CB -0.214 29.498 29.700 0.020 0.000 0.799 64 E HN 0.600 nan 8.360 nan 0.000 0.518 65 T N -1.521 113.033 114.554 -0.000 0.000 2.929 65 T HA -0.041 4.288 4.350 -0.036 0.000 0.271 65 T C 1.824 176.508 174.700 -0.027 0.000 1.085 65 T CA 1.123 63.217 62.100 -0.010 0.000 1.125 65 T CB -0.065 68.791 68.868 -0.020 0.000 0.874 65 T HN 0.109 nan 8.240 nan 0.000 0.494 66 A N 1.037 123.837 122.820 -0.032 0.000 2.251 66 A HA 0.714 5.012 4.320 -0.036 0.000 0.209 66 A C 1.462 179.026 177.584 -0.034 0.000 1.187 66 A CA 0.207 52.218 52.037 -0.044 0.000 0.823 66 A CB -0.771 18.198 19.000 -0.052 0.000 0.846 66 A HN 0.803 nan 8.150 nan 0.000 0.486 67 A N 0.381 123.189 122.820 -0.021 0.000 2.498 67 A HA 0.511 4.810 4.320 -0.036 0.000 0.239 67 A C 0.876 178.448 177.584 -0.020 0.000 1.068 67 A CA 0.194 52.221 52.037 -0.016 0.000 0.766 67 A CB -0.280 18.716 19.000 -0.008 0.000 1.003 67 A HN 1.381 nan 8.150 nan 0.000 0.497 68 A N 1.600 124.408 122.820 -0.020 0.000 2.540 68 A HA 0.477 4.776 4.320 -0.036 0.000 0.239 68 A C 1.675 179.249 177.584 -0.016 0.000 1.061 68 A CA 0.791 52.815 52.037 -0.020 0.000 0.758 68 A CB -0.697 18.292 19.000 -0.018 0.000 0.991 68 A HN 2.775 nan 8.150 nan 0.000 0.502 69 G N 0.618 109.407 108.800 -0.018 0.000 2.179 69 G HA2 0.119 4.058 3.960 -0.036 0.000 0.260 69 G HA3 0.119 4.058 3.960 -0.036 0.000 0.260 69 G C 0.649 175.542 174.900 -0.012 0.000 0.977 69 G CA 0.595 45.686 45.100 -0.014 0.000 0.641 69 G HN 2.216 nan 8.290 nan 0.000 0.533 70 A N 1.120 123.933 122.820 -0.012 0.000 2.425 70 A HA 0.636 4.934 4.320 -0.036 0.000 0.242 70 A C -0.978 176.598 177.584 -0.013 0.000 1.077 70 A CA -0.297 51.736 52.037 -0.007 0.000 0.781 70 A CB 0.131 19.128 19.000 -0.005 0.000 1.020 70 A HN 0.354 nan 8.150 nan 0.000 0.494 71 P HA 0.189 nan 4.420 nan 0.000 0.267 71 P C -0.817 176.468 177.300 -0.024 0.000 1.205 71 P CA 0.296 63.382 63.100 -0.022 0.000 0.765 71 P CB 0.457 32.143 31.700 -0.023 0.000 0.828 72 R N 2.222 122.701 120.500 -0.034 0.000 2.562 72 R HA 0.258 4.577 4.340 -0.036 0.000 0.298 72 R C 1.091 177.364 176.300 -0.045 0.000 0.961 72 R CA -0.972 55.105 56.100 -0.039 0.000 0.881 72 R CB 1.652 31.926 30.300 -0.044 0.000 1.159 72 R HN 0.317 nan 8.270 nan 0.000 0.450 73 L N 2.691 123.886 121.223 -0.046 0.000 2.017 73 L HA -0.081 4.238 4.340 -0.036 0.000 0.208 73 L C 0.257 177.094 176.870 -0.055 0.000 1.073 73 L CA 1.855 56.664 54.840 -0.052 0.000 0.745 73 L CB -0.290 41.740 42.059 -0.048 0.000 0.894 73 L HN 0.851 nan 8.230 nan 0.000 0.432 74 N N -2.469 116.197 118.700 -0.058 0.000 3.116 74 N HA 0.446 5.165 4.740 -0.036 0.000 0.244 74 N C -1.126 174.343 175.510 -0.069 0.000 1.485 74 N CA -0.439 52.574 53.050 -0.062 0.000 0.884 74 N CB 1.030 39.476 38.487 -0.068 0.000 1.415 74 N HN 0.087 nan 8.380 nan 0.000 0.524 75 A N 0.799 123.576 122.820 -0.072 0.000 2.371 75 A HA 0.407 4.706 4.320 -0.036 0.000 0.257 75 A C 0.457 177.976 177.584 -0.109 0.000 1.089 75 A CA -0.507 51.482 52.037 -0.080 0.000 0.794 75 A CB -0.067 18.890 19.000 -0.071 0.000 1.029 75 A HN 0.552 nan 8.150 nan 0.000 0.488 76 L N 1.484 122.636 121.223 -0.119 0.000 2.525 76 L HA 0.107 4.426 4.340 -0.036 0.000 0.278 76 L C 1.639 178.395 176.870 -0.191 0.000 1.218 76 L CA 0.624 55.367 54.840 -0.161 0.000 0.878 76 L CB 0.464 42.426 42.059 -0.161 0.000 1.127 76 L HN 0.969 nan 8.230 nan 0.000 0.492 77 T N -1.105 113.298 114.554 -0.251 0.000 3.044 77 T HA 0.318 4.646 4.350 -0.036 0.000 0.260 77 T C 0.063 174.515 174.700 -0.414 0.000 1.019 77 T CA -0.034 61.897 62.100 -0.281 0.000 0.921 77 T CB 0.006 68.703 68.868 -0.284 0.000 1.053 77 T HN 0.375 nan 8.240 nan 0.000 0.533 78 V N -2.841 116.772 119.914 -0.503 0.000 3.102 78 V HA 0.796 4.895 4.120 -0.036 0.000 0.312 78 V C -3.217 172.525 176.094 -0.586 0.000 1.135 78 V CA -3.263 58.536 62.300 -0.834 0.000 1.022 78 V CB 1.334 32.639 31.823 -0.862 0.000 1.056 78 V HN -0.174 nan 8.190 nan 0.000 0.436 79 P HA 0.229 nan 4.420 nan 0.000 0.266 79 P C -2.073 175.099 177.300 -0.213 0.000 1.195 79 P CA -1.004 61.914 63.100 -0.304 0.000 0.768 79 P CB 0.097 31.682 31.700 -0.191 0.000 0.838 80 P HA -0.224 nan 4.420 nan 0.000 0.218 80 P C 1.199 178.455 177.300 -0.073 0.000 1.148 80 P CA 1.583 64.622 63.100 -0.103 0.000 0.822 80 P CB -0.091 31.566 31.700 -0.072 0.000 0.784 81 E N 0.460 120.630 120.200 -0.049 0.000 2.204 81 E HA -0.086 4.243 4.350 -0.036 0.000 0.195 81 E C 1.792 178.387 176.600 -0.007 0.000 0.990 81 E CA 1.010 57.401 56.400 -0.015 0.000 0.821 81 E CB -1.380 28.324 29.700 0.008 0.000 0.750 81 E HN 0.123 nan 8.360 nan 0.000 0.477 82 V N 1.519 121.411 119.914 -0.036 0.000 2.970 82 V HA -0.141 3.958 4.120 -0.036 0.000 0.260 82 V C 2.534 178.608 176.094 -0.032 0.000 1.100 82 V CA 0.925 63.217 62.300 -0.014 0.000 1.122 82 V CB -0.102 31.679 31.823 -0.069 0.000 0.721 82 V HN 0.108 nan 8.190 nan 0.000 0.483 83 V N 0.643 120.517 119.914 -0.067 0.000 2.490 83 V HA -0.198 3.900 4.120 -0.036 0.000 0.250 83 V C 1.888 177.964 176.094 -0.030 0.000 1.061 83 V CA 2.070 64.331 62.300 -0.066 0.000 1.064 83 V CB -0.782 30.993 31.823 -0.080 0.000 0.670 83 V HN 0.646 nan 8.190 nan 0.000 0.461 84 N N 0.457 119.160 118.700 0.005 0.000 2.346 84 N HA 0.000 4.719 4.740 -0.036 0.000 0.225 84 N C 1.256 176.815 175.510 0.082 0.000 1.144 84 N CA 0.067 53.145 53.050 0.047 0.000 0.837 84 N CB -0.526 37.988 38.487 0.046 0.000 1.069 84 N HN 0.374 nan 8.380 nan 0.000 0.487 85 N N 0.541 119.294 118.700 0.088 0.000 2.061 85 N HA -0.212 4.506 4.740 -0.036 0.000 0.193 85 N C 1.477 177.088 175.510 0.167 0.000 1.030 85 N CA 1.395 54.526 53.050 0.135 0.000 0.856 85 N CB -0.099 38.483 38.487 0.158 0.000 1.023 85 N HN 0.300 nan 8.380 nan 0.000 0.424 86 M N -0.027 119.686 119.600 0.189 0.000 2.159 86 M HA 0.103 4.561 4.480 -0.036 0.000 0.263 86 M C 1.876 178.269 176.300 0.156 0.000 1.063 86 M CA 1.712 57.138 55.300 0.211 0.000 1.110 86 M CB -1.071 31.675 32.600 0.243 0.000 1.374 86 M HN 0.192 nan 8.290 nan 0.000 0.411 87 G N 0.037 108.927 108.800 0.149 0.000 2.418 87 G HA2 -0.252 3.686 3.960 -0.036 0.000 0.217 87 G HA3 -0.252 3.686 3.960 -0.036 0.000 0.217 87 G C 1.423 176.369 174.900 0.077 0.000 1.158 87 G CA 1.024 46.187 45.100 0.105 0.000 0.771 87 G HN 0.510 nan 8.290 nan 0.000 0.545 88 N N 0.749 119.496 118.700 0.077 0.000 2.120 88 N HA -0.044 4.675 4.740 -0.036 0.000 0.188 88 N C 2.217 177.749 175.510 0.036 0.000 1.024 88 N CA 0.762 53.843 53.050 0.051 0.000 0.852 88 N CB -0.263 38.255 38.487 0.051 0.000 1.003 88 N HN 0.357 nan 8.380 nan 0.000 0.424 89 I N 1.197 121.802 120.570 0.058 0.000 2.179 89 I HA -0.250 3.899 4.170 -0.036 0.000 0.242 89 I C 2.341 178.484 176.117 0.043 0.000 1.088 89 I CA 1.122 62.445 61.300 0.038 0.000 1.357 89 I CB -0.324 37.723 38.000 0.079 0.000 1.051 89 I HN 0.067 nan 8.210 nan 0.000 0.409 90 A N 0.460 123.317 122.820 0.061 0.000 1.902 90 A HA -0.243 4.055 4.320 -0.036 0.000 0.217 90 A C 1.933 179.545 177.584 0.046 0.000 1.181 90 A CA 2.107 54.177 52.037 0.055 0.000 0.623 90 A CB -0.618 18.414 19.000 0.053 0.000 0.818 90 A HN 0.356 nan 8.150 nan 0.000 0.443 91 D N 0.031 120.454 120.400 0.039 0.000 2.218 91 D HA -0.014 4.604 4.640 -0.036 0.000 0.204 91 D C 1.919 178.238 176.300 0.031 0.000 0.976 91 D CA 1.351 55.369 54.000 0.030 0.000 0.853 91 D CB -0.299 40.516 40.800 0.025 0.000 0.939 91 D HN 0.450 nan 8.370 nan 0.000 0.481 92 A N -0.260 122.580 122.820 0.033 0.000 2.235 92 A HA 0.366 4.664 4.320 -0.036 0.000 0.208 92 A C 1.781 179.447 177.584 0.138 0.000 1.172 92 A CA 1.079 53.147 52.037 0.051 0.000 0.786 92 A CB -0.263 18.725 19.000 -0.019 0.000 0.804 92 A HN 0.243 nan 8.150 nan 0.000 0.479 93 G N -1.333 107.538 108.800 0.118 0.000 2.143 93 G HA2 -0.238 3.701 3.960 -0.036 0.000 0.248 93 G HA3 -0.238 3.701 3.960 -0.036 0.000 0.248 93 G C 0.544 175.589 174.900 0.242 0.000 0.991 93 G CA 0.498 45.702 45.100 0.172 0.000 0.689 93 G HN 0.509 nan 8.290 nan 0.000 0.522 94 L N -0.792 120.513 121.223 0.138 0.000 2.640 94 L HA 0.312 4.630 4.340 -0.036 0.000 0.230 94 L C 2.550 179.434 176.870 0.023 0.000 1.123 94 L CA 0.422 55.295 54.840 0.054 0.000 0.900 94 L CB -0.025 42.019 42.059 -0.026 0.000 1.146 94 L HN 0.299 nan 8.230 nan 0.000 0.484 95 R N 0.949 121.477 120.500 0.046 0.000 2.073 95 R HA -0.157 4.162 4.340 -0.036 0.000 0.234 95 R C 2.159 178.479 176.300 0.033 0.000 1.134 95 R CA 1.495 57.621 56.100 0.043 0.000 0.952 95 R CB 0.088 30.423 30.300 0.059 0.000 0.850 95 R HN 0.185 nan 8.270 nan 0.000 0.433 96 K N -0.258 120.164 120.400 0.038 0.000 2.026 96 K HA -0.120 4.178 4.320 -0.036 0.000 0.208 96 K C 2.074 178.682 176.600 0.013 0.000 1.048 96 K CA 1.449 57.755 56.287 0.031 0.000 0.929 96 K CB -0.149 32.374 32.500 0.038 0.000 0.713 96 K HN 0.261 nan 8.250 nan 0.000 0.439 97 A N 0.880 123.701 122.820 0.002 0.000 1.898 97 A HA -0.109 4.190 4.320 -0.036 0.000 0.216 97 A C 2.343 179.896 177.584 -0.051 0.000 1.181 97 A CA 1.299 53.321 52.037 -0.026 0.000 0.620 97 A CB -0.585 18.386 19.000 -0.048 0.000 0.819 97 A HN 0.074 nan 8.150 nan 0.000 0.442 98 V N 0.024 119.893 119.914 -0.075 0.000 2.295 98 V HA -0.333 3.766 4.120 -0.036 0.000 0.246 98 V C 2.667 178.707 176.094 -0.089 0.000 1.049 98 V CA 2.344 64.552 62.300 -0.152 0.000 1.024 98 V CB -0.708 30.963 31.823 -0.253 0.000 0.648 98 V HN 0.576 nan 8.190 nan 0.000 0.447 99 M N -0.526 119.065 119.600 -0.015 0.000 2.117 99 M HA -0.219 4.239 4.480 -0.036 0.000 0.262 99 M C 2.337 178.652 176.300 0.025 0.000 1.065 99 M CA 1.912 57.236 55.300 0.040 0.000 1.114 99 M CB -0.495 32.145 32.600 0.066 0.000 1.361 99 M HN 0.232 nan 8.290 nan 0.000 0.408 100 K N 0.672 121.076 120.400 0.007 0.000 2.097 100 K HA -0.112 4.187 4.320 -0.036 0.000 0.206 100 K C 1.825 178.423 176.600 -0.003 0.000 1.049 100 K CA 1.424 57.714 56.287 0.005 0.000 0.933 100 K CB -0.058 32.442 32.500 0.000 0.000 0.717 100 K HN 0.284 nan 8.250 nan 0.000 0.442 101 A N 1.206 124.016 122.820 -0.018 0.000 2.119 101 A HA -0.015 4.284 4.320 -0.036 0.000 0.217 101 A C 1.743 179.324 177.584 -0.005 0.000 1.153 101 A CA 1.078 53.102 52.037 -0.023 0.000 0.692 101 A CB -0.544 18.429 19.000 -0.046 0.000 0.799 101 A HN 0.574 nan 8.150 nan 0.000 0.458 102 I N -2.404 118.177 120.570 0.018 0.000 3.927 102 I HA 0.212 4.361 4.170 -0.036 0.000 0.332 102 I C 0.570 176.713 176.117 0.043 0.000 1.485 102 I CA 0.030 61.361 61.300 0.051 0.000 1.131 102 I CB -0.257 37.827 38.000 0.140 0.000 1.092 102 I HN 0.098 nan 8.210 nan 0.000 0.410 103 T N -0.705 113.865 114.554 0.027 0.000 2.788 103 T HA 0.359 4.688 4.350 -0.036 0.000 0.287 103 T C -1.531 173.179 174.700 0.017 0.000 1.007 103 T CA -1.273 60.840 62.100 0.022 0.000 1.005 103 T CB 0.622 69.502 68.868 0.020 0.000 1.012 103 T HN 0.086 nan 8.240 nan 0.000 0.530 104 P HA 0.240 nan 4.420 nan 0.000 0.255 104 P C 0.730 178.047 177.300 0.028 0.000 1.357 104 P CA 0.048 63.166 63.100 0.030 0.000 0.839 104 P CB -0.433 31.293 31.700 0.045 0.000 1.356 105 K N -0.139 120.273 120.400 0.020 0.000 2.356 105 K HA 0.411 4.709 4.320 -0.036 0.000 0.195 105 K C 1.301 177.909 176.600 0.013 0.000 1.037 105 K CA 0.650 56.947 56.287 0.018 0.000 1.014 105 K CB -0.797 31.712 32.500 0.015 0.000 0.815 105 K HN 0.328 nan 8.250 nan 0.000 0.507 106 A N 2.774 125.598 122.820 0.007 0.000 2.540 106 A HA 0.431 4.729 4.320 -0.036 0.000 0.239 106 A C -2.196 175.392 177.584 0.007 0.000 1.061 106 A CA -0.978 51.059 52.037 -0.000 0.000 0.758 106 A CB -0.417 18.575 19.000 -0.014 0.000 0.991 106 A HN 0.331 nan 8.150 nan 0.000 0.502 107 P HA 0.179 nan 4.420 nan 0.000 0.264 107 P C 1.102 178.412 177.300 0.016 0.000 1.183 107 P CA 1.658 64.766 63.100 0.012 0.000 0.763 107 P CB 0.477 32.181 31.700 0.007 0.000 0.807 108 G N 1.784 110.604 108.800 0.033 0.000 2.225 108 G HA2 -0.344 3.594 3.960 -0.036 0.000 0.254 108 G HA3 -0.344 3.594 3.960 -0.036 0.000 0.254 108 G C 0.683 175.637 174.900 0.090 0.000 0.988 108 G CA 0.335 45.468 45.100 0.055 0.000 0.625 108 G HN 0.550 nan 8.290 nan 0.000 0.527 109 L N 1.027 122.291 121.223 0.068 0.000 2.005 109 L HA 0.206 4.524 4.340 -0.036 0.000 0.207 109 L C 2.582 179.545 176.870 0.155 0.000 1.072 109 L CA 3.000 57.900 54.840 0.099 0.000 0.744 109 L CB -0.553 41.535 42.059 0.048 0.000 0.895 109 L HN 0.479 nan 8.230 nan 0.000 0.433 110 E N -1.093 119.167 120.200 0.100 0.000 2.110 110 E HA -0.298 4.030 4.350 -0.036 0.000 0.193 110 E C 2.118 178.766 176.600 0.081 0.000 0.988 110 E CA 1.216 57.667 56.400 0.085 0.000 0.804 110 E CB -0.104 29.631 29.700 0.058 0.000 0.745 110 E HN 0.472 nan 8.360 nan 0.000 0.458 111 Q N 0.528 120.380 119.800 0.086 0.000 2.084 111 Q HA -0.175 4.143 4.340 -0.036 0.000 0.202 111 Q C 1.774 177.825 176.000 0.086 0.000 0.978 111 Q CA 1.325 57.170 55.803 0.071 0.000 0.844 111 Q CB -0.434 28.345 28.738 0.069 0.000 0.898 111 Q HN 0.328 nan 8.270 nan 0.000 0.426 112 F N -0.230 119.725 119.950 0.008 0.000 2.126 112 F HA -0.184 4.322 4.527 -0.036 0.000 0.299 112 F C 1.642 177.446 175.800 0.008 0.000 1.096 112 F CA 1.325 59.330 58.000 0.009 0.000 1.255 112 F CB -0.161 38.844 39.000 0.009 0.000 0.997 112 F HN 0.127 nan 8.300 nan 0.000 0.479 113 L N 0.072 121.304 121.223 0.015 0.000 2.012 113 L HA -0.245 4.074 4.340 -0.036 0.000 0.210 113 L C 2.792 179.578 176.870 -0.141 0.000 1.073 113 L CA 1.796 56.590 54.840 -0.078 0.000 0.748 113 L CB -0.579 41.505 42.059 0.041 0.000 0.891 113 L HN 0.131 nan 8.230 nan 0.000 0.431 114 R N -0.070 120.385 120.500 -0.075 0.000 2.073 114 R HA -0.188 4.131 4.340 -0.036 0.000 0.234 114 R C 1.917 178.160 176.300 -0.095 0.000 1.134 114 R CA 1.960 58.024 56.100 -0.061 0.000 0.952 114 R CB -0.144 30.142 30.300 -0.024 0.000 0.850 114 R HN 0.325 nan 8.270 nan 0.000 0.433 115 D N -0.496 119.827 120.400 -0.129 0.000 2.123 115 D HA -0.127 4.492 4.640 -0.036 0.000 0.196 115 D C 1.781 177.962 176.300 -0.199 0.000 0.992 115 D CA 1.816 55.732 54.000 -0.140 0.000 0.833 115 D CB -0.423 40.299 40.800 -0.129 0.000 0.954 115 D HN 0.279 nan 8.370 nan 0.000 0.455 116 T N 0.677 115.019 114.554 -0.353 0.000 2.708 116 T HA -0.099 4.230 4.350 -0.036 0.000 0.266 116 T C 2.041 176.647 174.700 -0.158 0.000 1.037 116 T CA 1.546 63.440 62.100 -0.343 0.000 1.146 116 T CB -0.351 68.179 68.868 -0.563 0.000 0.865 116 T HN 0.194 nan 8.240 nan 0.000 0.435 117 A N 2.522 125.273 122.820 -0.115 0.000 1.883 117 A HA -0.183 4.116 4.320 -0.036 0.000 0.217 117 A C 2.271 179.906 177.584 0.086 0.000 1.186 117 A CA 1.615 53.687 52.037 0.060 0.000 0.624 117 A CB -0.665 18.377 19.000 0.070 0.000 0.822 117 A HN 0.385 nan 8.150 nan 0.000 0.444 118 N N -0.236 118.457 118.700 -0.013 0.000 2.188 118 N HA -0.108 4.611 4.740 -0.036 0.000 0.184 118 N C 2.042 177.523 175.510 -0.049 0.000 1.018 118 N CA 1.455 54.481 53.050 -0.040 0.000 0.858 118 N CB -0.436 38.021 38.487 -0.049 0.000 0.989 118 N HN 0.499 nan 8.380 nan 0.000 0.426 119 S N 0.735 116.405 115.700 -0.050 0.000 2.355 119 S HA 0.038 4.487 4.470 -0.036 0.000 0.222 119 S C 2.047 176.629 174.600 -0.030 0.000 1.031 119 S CA 0.559 58.732 58.200 -0.045 0.000 0.993 119 S CB -0.211 62.957 63.200 -0.054 0.000 0.859 119 S HN 0.197 nan 8.310 nan 0.000 0.453 120 L N 0.912 122.136 121.223 0.001 0.000 2.012 120 L HA -0.123 4.195 4.340 -0.036 0.000 0.210 120 L C 2.497 179.359 176.870 -0.012 0.000 1.073 120 L CA 1.305 56.172 54.840 0.044 0.000 0.748 120 L CB -0.577 41.583 42.059 0.167 0.000 0.891 120 L HN 0.343 nan 8.230 nan 0.000 0.431 121 L N -0.731 120.449 121.223 -0.070 0.000 2.056 121 L HA -0.215 4.104 4.340 -0.036 0.000 0.207 121 L C 2.286 179.019 176.870 -0.229 0.000 1.078 121 L CA 1.025 55.708 54.840 -0.261 0.000 0.749 121 L CB -0.660 41.195 42.059 -0.341 0.000 0.901 121 L HN 0.252 nan 8.230 nan 0.000 0.433 122 D N 0.033 120.348 120.400 -0.141 0.000 2.123 122 D HA -0.179 4.440 4.640 -0.036 0.000 0.196 122 D C 1.953 178.207 176.300 -0.076 0.000 0.992 122 D CA 1.118 55.055 54.000 -0.104 0.000 0.833 122 D CB -0.345 40.416 40.800 -0.065 0.000 0.954 122 D HN 0.263 nan 8.370 nan 0.000 0.455 123 N N 0.353 119.018 118.700 -0.059 0.000 2.120 123 N HA -0.082 4.637 4.740 -0.036 0.000 0.188 123 N C 2.078 177.573 175.510 -0.025 0.000 1.024 123 N CA 0.416 53.449 53.050 -0.030 0.000 0.852 123 N CB -0.443 38.034 38.487 -0.017 0.000 1.003 123 N HN 0.260 nan 8.380 nan 0.000 0.424 124 L N 0.435 121.613 121.223 -0.074 0.000 2.046 124 L HA -0.075 4.243 4.340 -0.036 0.000 0.208 124 L C 2.107 178.982 176.870 0.009 0.000 1.077 124 L CA 0.850 55.652 54.840 -0.063 0.000 0.747 124 L CB -0.372 41.557 42.059 -0.218 0.000 0.896 124 L HN 0.113 nan 8.230 nan 0.000 0.432 125 I N -0.577 119.926 120.570 -0.112 0.000 2.226 125 I HA -0.265 3.884 4.170 -0.036 0.000 0.245 125 I C 2.502 178.708 176.117 0.148 0.000 1.100 125 I CA 1.429 62.761 61.300 0.053 0.000 1.374 125 I CB -0.450 37.490 38.000 -0.101 0.000 1.057 125 I HN 0.245 nan 8.210 nan 0.000 0.413 126 T N -0.094 114.497 114.554 0.061 0.000 2.746 126 T HA -0.167 4.161 4.350 -0.036 0.000 0.267 126 T C 1.969 176.713 174.700 0.074 0.000 1.039 126 T CA 1.556 63.690 62.100 0.057 0.000 1.142 126 T CB -0.182 68.701 68.868 0.025 0.000 0.866 126 T HN 0.300 nan 8.240 nan 0.000 0.444 127 E N -0.046 120.205 120.200 0.084 0.000 2.150 127 E HA 0.307 4.636 4.350 -0.036 0.000 0.193 127 E C 1.138 177.797 176.600 0.098 0.000 0.985 127 E CA 0.358 56.805 56.400 0.079 0.000 0.814 127 E CB -0.696 29.048 29.700 0.073 0.000 0.752 127 E HN 0.823 nan 8.360 nan 0.000 0.466 128 G N -0.218 108.692 108.800 0.183 0.000 2.719 128 G HA2 0.135 4.073 3.960 -0.036 0.000 0.686 128 G HA3 0.135 4.073 3.960 -0.036 0.000 0.686 128 G C 0.009 174.937 174.900 0.047 0.000 1.201 128 G CA -0.697 44.477 45.100 0.122 0.000 0.768 128 G HN 0.816 nan 8.290 nan 0.000 0.629 129 A N 2.799 125.415 122.820 -0.340 0.000 2.466 129 A HA 0.732 5.031 4.320 -0.036 0.000 0.238 129 A C -0.511 176.943 177.584 -0.217 0.000 1.074 129 A CA 0.115 51.842 52.037 -0.517 0.000 0.774 129 A CB -0.219 18.149 19.000 -1.052 0.000 1.015 129 A HN 1.105 nan 8.150 nan 0.000 0.498 130 P HA 0.554 nan 4.420 nan 0.000 0.276 130 P C -0.714 176.637 177.300 0.085 0.000 1.244 130 P CA -0.132 62.930 63.100 -0.063 0.000 0.801 130 P CB 1.376 33.050 31.700 -0.043 0.000 1.006 131 A N 0.865 123.814 122.820 0.215 0.000 2.380 131 A HA 0.458 4.757 4.320 -0.036 0.000 0.315 131 A C -0.768 176.883 177.584 0.112 0.000 1.101 131 A CA -0.494 51.667 52.037 0.207 0.000 0.771 131 A CB 0.999 20.171 19.000 0.287 0.000 1.287 131 A HN 0.519 nan 8.150 nan 0.000 0.436 132 D N 2.244 122.683 120.400 0.066 0.000 2.428 132 D HA 0.315 4.934 4.640 -0.036 0.000 0.221 132 D C 0.623 176.952 176.300 0.048 0.000 1.123 132 D CA -0.228 53.794 54.000 0.037 0.000 0.869 132 D CB 0.473 41.283 40.800 0.016 0.000 1.032 132 D HN 0.399 nan 8.370 nan 0.000 0.506 133 L N 3.099 124.353 121.223 0.052 0.000 2.465 133 L HA 0.025 4.343 4.340 -0.036 0.000 0.224 133 L C 2.300 179.243 176.870 0.121 0.000 1.145 133 L CA 0.310 55.214 54.840 0.106 0.000 0.834 133 L CB -0.061 42.049 42.059 0.085 0.000 0.944 133 L HN 0.360 nan 8.230 nan 0.000 0.451 134 R N 0.425 120.952 120.500 0.044 0.000 2.046 134 R HA -0.044 4.274 4.340 -0.036 0.000 0.223 134 R C 2.001 178.304 176.300 0.004 0.000 1.179 134 R CA 1.007 57.117 56.100 0.016 0.000 0.952 134 R CB 0.036 30.324 30.300 -0.021 0.000 0.843 134 R HN 0.284 nan 8.270 nan 0.000 0.439 135 N N 0.582 119.281 118.700 -0.002 0.000 2.331 135 N HA -0.097 4.622 4.740 -0.036 0.000 0.180 135 N C 0.026 175.516 175.510 -0.032 0.000 1.019 135 N CA 1.039 54.076 53.050 -0.022 0.000 0.881 135 N CB 0.148 38.632 38.487 -0.004 0.000 0.972 135 N HN 0.326 nan 8.380 nan 0.000 0.435 136 D N -1.483 118.926 120.400 0.015 0.000 2.479 136 D HA 0.148 4.767 4.640 -0.036 0.000 0.218 136 D C 0.483 176.853 176.300 0.117 0.000 1.177 136 D CA -0.118 53.902 54.000 0.033 0.000 0.830 136 D CB 0.454 41.275 40.800 0.034 0.000 1.014 136 D HN 0.194 nan 8.370 nan 0.000 0.503 137 F N 0.400 120.304 119.950 -0.076 0.000 1.835 137 F HA 0.294 4.800 4.527 -0.035 0.000 0.231 137 F C 1.842 177.606 175.800 -0.060 0.000 1.216 137 F CA 0.287 58.239 58.000 -0.081 0.000 1.310 137 F CB -0.106 38.838 39.000 -0.093 0.000 1.827 137 F HN -0.144 nan 8.300 nan 0.000 0.352 138 A N 0.377 123.064 122.820 -0.221 0.000 1.877 138 A HA -0.126 4.173 4.320 -0.036 0.000 0.216 138 A C 1.628 179.117 177.584 -0.158 0.000 1.186 138 A CA 2.323 54.183 52.037 -0.294 0.000 0.620 138 A CB -0.965 17.997 19.000 -0.064 0.000 0.822 138 A HN 0.544 nan 8.150 nan 0.000 0.443 139 D N -0.627 119.696 120.400 -0.127 0.000 2.103 139 D HA -0.044 4.575 4.640 -0.036 0.000 0.199 139 D C -0.502 175.637 176.300 -0.270 0.000 0.978 139 D CA 1.319 55.215 54.000 -0.173 0.000 0.829 139 D CB -1.447 39.226 40.800 -0.213 0.000 0.981 139 D HN 0.292 nan 8.370 nan 0.000 0.464 140 P HA -0.100 nan 4.420 nan 0.000 0.218 140 P C 1.697 178.923 177.300 -0.125 0.000 1.148 140 P CA 0.622 63.602 63.100 -0.199 0.000 0.822 140 P CB 0.065 31.679 31.700 -0.144 0.000 0.784 141 L N -0.166 120.955 121.223 -0.171 0.000 2.027 141 L HA -0.062 4.257 4.340 -0.036 0.000 0.206 141 L C 2.309 179.239 176.870 0.100 0.000 1.074 141 L CA 1.995 56.761 54.840 -0.123 0.000 0.745 141 L CB -1.539 40.289 42.059 -0.385 0.000 0.898 141 L HN -0.114 nan 8.230 nan 0.000 0.433 142 A N -1.537 121.368 122.820 0.142 0.000 1.883 142 A HA -0.228 4.070 4.320 -0.036 0.000 0.217 142 A C 2.275 179.923 177.584 0.108 0.000 1.186 142 A CA 2.451 54.525 52.037 0.061 0.000 0.624 142 A CB -1.267 17.671 19.000 -0.104 0.000 0.822 142 A HN 0.512 nan 8.150 nan 0.000 0.444 143 T N 0.220 114.787 114.554 0.022 0.000 2.708 143 T HA -0.009 4.320 4.350 -0.036 0.000 0.266 143 T C 2.250 177.069 174.700 0.199 0.000 1.037 143 T CA 1.665 63.815 62.100 0.083 0.000 1.146 143 T CB -0.498 68.387 68.868 0.027 0.000 0.865 143 T HN 0.610 nan 8.240 nan 0.000 0.435 144 A N 1.443 124.365 122.820 0.169 0.000 1.877 144 A HA -0.034 4.265 4.320 -0.036 0.000 0.216 144 A C 2.253 180.055 177.584 0.362 0.000 1.186 144 A CA 1.421 53.620 52.037 0.269 0.000 0.620 144 A CB -0.910 18.215 19.000 0.208 0.000 0.822 144 A HN 0.403 nan 8.150 nan 0.000 0.443 145 L N -0.539 120.864 121.223 0.299 0.000 2.013 145 L HA -0.221 4.097 4.340 -0.036 0.000 0.212 145 L C 2.221 179.098 176.870 0.011 0.000 1.073 145 L CA 2.705 57.668 54.840 0.205 0.000 0.753 145 L CB -0.957 41.171 42.059 0.114 0.000 0.890 145 L HN 0.549 nan 8.230 nan 0.000 0.432 146 H N -2.144 116.974 119.070 0.079 0.000 2.428 146 H HA -0.050 4.485 4.556 -0.035 0.000 0.296 146 H C 2.329 177.791 175.328 0.222 0.000 1.062 146 H CA 1.524 57.615 56.048 0.072 0.000 1.350 146 H CB -0.528 29.129 29.762 -0.176 0.000 1.403 146 H HN 0.405 nan 8.280 nan 0.000 0.533 147 C N 0.505 120.016 119.300 0.351 0.000 2.429 147 C HA -0.121 4.318 4.460 -0.036 0.000 0.277 147 C C 2.650 177.693 174.990 0.090 0.000 1.262 147 C CA 1.138 60.316 59.018 0.266 0.000 1.733 147 C CB -0.384 27.496 27.740 0.233 0.000 2.010 147 C HN 0.467 nan 8.230 nan 0.000 0.483 148 K N 1.277 121.661 120.400 -0.026 0.000 2.026 148 K HA -0.082 4.216 4.320 -0.036 0.000 0.208 148 K C 1.778 178.306 176.600 -0.120 0.000 1.048 148 K CA 1.576 57.730 56.287 -0.222 0.000 0.929 148 K CB -0.679 31.482 32.500 -0.564 0.000 0.713 148 K HN 0.286 nan 8.250 nan 0.000 0.439 149 V N 0.670 120.543 119.914 -0.068 0.000 2.407 149 V HA -0.194 3.905 4.120 -0.036 0.000 0.248 149 V C 2.076 178.179 176.094 0.016 0.000 1.055 149 V CA 1.472 63.745 62.300 -0.044 0.000 1.049 149 V CB -0.379 31.392 31.823 -0.087 0.000 0.662 149 V HN 0.214 nan 8.190 nan 0.000 0.455 150 L N 0.291 121.564 121.223 0.085 0.000 2.313 150 L HA 0.238 4.557 4.340 -0.036 0.000 0.214 150 L C 1.827 178.724 176.870 0.046 0.000 1.119 150 L CA 1.635 56.539 54.840 0.106 0.000 0.809 150 L CB -0.691 41.495 42.059 0.213 0.000 0.933 150 L HN 0.502 nan 8.230 nan 0.000 0.449 151 G N -0.057 108.752 108.800 0.016 0.000 2.136 151 G HA2 -0.258 3.680 3.960 -0.036 0.000 0.242 151 G HA3 -0.258 3.680 3.960 -0.036 0.000 0.242 151 G C 0.423 175.326 174.900 0.004 0.000 0.989 151 G CA 0.378 45.470 45.100 -0.015 0.000 0.682 151 G HN 0.440 nan 8.290 nan 0.000 0.522 152 I N -2.336 118.263 120.570 0.049 0.000 2.676 152 I HA 0.773 4.921 4.170 -0.036 0.000 0.309 152 I C -2.226 173.937 176.117 0.077 0.000 0.990 152 I CA -3.202 58.144 61.300 0.077 0.000 1.168 152 I CB 1.350 39.443 38.000 0.155 0.000 1.343 152 I HN -0.162 nan 8.210 nan 0.000 0.482 153 P HA 0.047 nan 4.420 nan 0.000 0.265 153 P C 0.093 177.444 177.300 0.085 0.000 1.193 153 P CA -0.108 63.034 63.100 0.071 0.000 0.765 153 P CB 0.516 32.260 31.700 0.073 0.000 0.823 154 Q N 2.740 122.590 119.800 0.083 0.000 2.152 154 Q HA -0.228 4.091 4.340 -0.036 0.000 0.206 154 Q C 1.653 177.705 176.000 0.088 0.000 0.985 154 Q CA 1.897 57.765 55.803 0.109 0.000 0.863 154 Q CB -0.302 28.513 28.738 0.128 0.000 0.904 154 Q HN 0.708 nan 8.270 nan 0.000 0.422 155 E N 0.178 120.417 120.200 0.066 0.000 2.338 155 E HA -0.153 4.175 4.350 -0.036 0.000 0.197 155 E C 0.521 177.138 176.600 0.028 0.000 1.007 155 E CA 1.043 57.471 56.400 0.047 0.000 0.849 155 E CB 0.021 29.745 29.700 0.041 0.000 0.774 155 E HN 0.166 nan 8.360 nan 0.000 0.506 156 D N 0.935 121.348 120.400 0.022 0.000 2.347 156 D HA 0.013 4.632 4.640 -0.036 0.000 0.213 156 D C 1.856 178.087 176.300 -0.116 0.000 0.985 156 D CA 0.909 54.869 54.000 -0.067 0.000 0.879 156 D CB -0.103 40.671 40.800 -0.043 0.000 0.919 156 D HN 0.379 nan 8.370 nan 0.000 0.526 157 G N 2.085 110.894 108.800 0.015 0.000 2.459 157 G HA2 -0.207 3.732 3.960 -0.036 0.000 0.217 157 G HA3 -0.207 3.732 3.960 -0.036 0.000 0.217 157 G C -0.653 174.341 174.900 0.156 0.000 1.183 157 G CA 0.432 45.608 45.100 0.126 0.000 0.776 157 G HN 0.289 nan 8.290 nan 0.000 0.552 158 P HA -0.112 nan 4.420 nan 0.000 0.216 158 P C 2.208 179.599 177.300 0.152 0.000 1.153 158 P CA 2.489 65.674 63.100 0.143 0.000 0.858 158 P CB -0.162 31.581 31.700 0.072 0.000 0.789 159 K N -0.400 120.016 120.400 0.026 0.000 2.057 159 K HA -0.078 4.220 4.320 -0.036 0.000 0.207 159 K C 2.156 178.723 176.600 -0.056 0.000 1.049 159 K CA 1.322 57.593 56.287 -0.027 0.000 0.931 159 K CB -2.058 30.381 32.500 -0.103 0.000 0.714 159 K HN 0.157 nan 8.250 nan 0.000 0.440 160 L N -0.652 120.477 121.223 -0.157 0.000 2.046 160 L HA 0.069 4.388 4.340 -0.036 0.000 0.208 160 L C 2.681 179.632 176.870 0.135 0.000 1.077 160 L CA 1.886 56.594 54.840 -0.220 0.000 0.747 160 L CB -0.647 40.932 42.059 -0.801 0.000 0.896 160 L HN 0.269 nan 8.230 nan 0.000 0.432 161 F N 1.421 121.485 119.950 0.190 0.000 2.161 161 F HA -0.281 4.226 4.527 -0.034 0.000 0.300 161 F C 2.785 178.674 175.800 0.148 0.000 1.089 161 F CA 1.985 60.134 58.000 0.248 0.000 1.282 161 F CB -0.433 38.679 39.000 0.185 0.000 1.010 161 F HN -0.058 nan 8.300 nan 0.000 0.485 162 R N 0.043 120.575 120.500 0.053 0.000 2.237 162 R HA -0.017 4.301 4.340 -0.036 0.000 0.219 162 R C 2.102 178.354 176.300 -0.080 0.000 1.080 162 R CA 1.430 57.502 56.100 -0.046 0.000 0.995 162 R CB -1.916 28.421 30.300 0.061 0.000 0.875 162 R HN 0.435 nan 8.270 nan 0.000 0.462 163 S N 0.881 116.559 115.700 -0.037 0.000 2.447 163 S HA 0.039 4.488 4.470 -0.036 0.000 0.233 163 S C 1.879 176.494 174.600 0.024 0.000 1.006 163 S CA 1.068 59.272 58.200 0.008 0.000 0.957 163 S CB -0.149 63.080 63.200 0.047 0.000 0.773 163 S HN 0.537 nan 8.310 nan 0.000 0.507 164 L N 1.645 122.841 121.223 -0.045 0.000 2.217 164 L HA -0.035 4.284 4.340 -0.036 0.000 0.211 164 L C 2.556 179.562 176.870 0.227 0.000 1.107 164 L CA 1.132 56.038 54.840 0.110 0.000 0.783 164 L CB -0.740 41.295 42.059 -0.041 0.000 0.919 164 L HN 0.402 nan 8.230 nan 0.000 0.442 165 S N -0.377 115.347 115.700 0.040 0.000 2.474 165 S HA -0.053 4.396 4.470 -0.036 0.000 0.235 165 S C 1.689 176.441 174.600 0.254 0.000 0.997 165 S CA 0.754 59.005 58.200 0.086 0.000 0.949 165 S CB -0.269 62.870 63.200 -0.102 0.000 0.766 165 S HN 0.434 nan 8.310 nan 0.000 0.517 166 I N 0.733 121.408 120.570 0.176 0.000 3.300 166 I HA 0.235 4.384 4.170 -0.036 0.000 0.279 166 I C 2.807 178.966 176.117 0.071 0.000 1.172 166 I CA 0.597 61.972 61.300 0.126 0.000 1.431 166 I CB -0.392 37.642 38.000 0.057 0.000 1.240 166 I HN 0.342 nan 8.210 nan 0.000 0.453 167 A N 0.819 123.662 122.820 0.039 0.000 1.972 167 A HA -0.121 4.178 4.320 -0.036 0.000 0.219 167 A C 1.576 178.864 177.584 -0.494 0.000 1.169 167 A CA 1.548 53.480 52.037 -0.176 0.000 0.635 167 A CB -0.699 18.221 19.000 -0.134 0.000 0.810 167 A HN 0.420 nan 8.150 nan 0.000 0.446 168 F N -0.579 119.277 119.950 -0.157 0.000 2.668 168 F HA 0.371 4.877 4.527 -0.035 0.000 0.297 168 F C 0.764 176.074 175.800 -0.817 0.000 1.124 168 F CA -0.314 57.368 58.000 -0.528 0.000 1.353 168 F CB -0.221 38.370 39.000 -0.682 0.000 0.992 168 F HN 0.033 nan 8.300 nan 0.000 0.524 169 M N -0.039 119.443 119.600 -0.197 0.000 2.250 169 M HA 0.024 4.483 4.480 -0.036 0.000 0.325 169 M C 0.691 176.911 176.300 -0.133 0.000 1.084 169 M CA 0.455 55.734 55.300 -0.035 0.000 1.161 169 M CB 0.664 33.314 32.600 0.083 0.000 1.481 169 M HN -0.068 nan 8.290 nan 0.000 0.449 170 S N 1.681 117.347 115.700 -0.057 0.000 2.516 170 S HA 0.358 4.807 4.470 -0.036 0.000 0.268 170 S C -0.767 173.819 174.600 -0.024 0.000 1.251 170 S CA -0.525 57.637 58.200 -0.063 0.000 1.153 170 S CB 0.490 63.655 63.200 -0.059 0.000 1.009 170 S HN 0.665 nan 8.310 nan 0.000 0.479 171 S N 3.030 118.708 115.700 -0.037 0.000 2.578 171 S HA 0.725 5.173 4.470 -0.036 0.000 0.301 171 S C 1.154 175.734 174.600 -0.033 0.000 1.091 171 S CA -0.182 58.004 58.200 -0.023 0.000 1.032 171 S CB 1.421 64.607 63.200 -0.024 0.000 1.064 171 S HN 0.811 nan 8.310 nan 0.000 0.508 172 A N 2.767 125.573 122.820 -0.024 0.000 2.014 172 A HA 0.174 4.472 4.320 -0.036 0.000 0.218 172 A C 0.432 177.997 177.584 -0.032 0.000 1.163 172 A CA 0.946 52.966 52.037 -0.028 0.000 0.652 172 A CB -0.255 18.732 19.000 -0.021 0.000 0.808 172 A HN 0.819 nan 8.150 nan 0.000 0.449 173 D N -1.259 119.123 120.400 -0.030 0.000 2.490 173 D HA 0.453 5.072 4.640 -0.036 0.000 0.232 173 D C -2.977 173.300 176.300 -0.039 0.000 1.053 173 D CA -1.552 52.429 54.000 -0.031 0.000 0.914 173 D CB 1.051 41.838 40.800 -0.023 0.000 1.431 173 D HN -0.142 nan 8.370 nan 0.000 0.483 174 P HA 0.116 nan 4.420 nan 0.000 0.266 174 P C -0.424 176.853 177.300 -0.039 0.000 1.193 174 P CA 0.231 63.301 63.100 -0.050 0.000 0.770 174 P CB 0.547 32.218 31.700 -0.048 0.000 0.836 175 I N 4.148 124.692 120.570 -0.044 0.000 2.390 175 I HA 0.210 4.359 4.170 -0.036 0.000 0.283 175 I C -1.603 174.501 176.117 -0.021 0.000 1.016 175 I CA -2.112 59.171 61.300 -0.028 0.000 1.151 175 I CB 1.826 39.808 38.000 -0.030 0.000 1.293 175 I HN 0.229 nan 8.210 nan 0.000 0.458 176 P HA -0.190 nan 4.420 nan 0.000 0.216 176 P C 1.586 178.891 177.300 0.009 0.000 1.150 176 P CA 1.101 64.200 63.100 -0.002 0.000 0.837 176 P CB 0.348 32.049 31.700 0.001 0.000 0.786 177 A N -0.120 122.706 122.820 0.011 0.000 1.972 177 A HA -0.106 4.192 4.320 -0.036 0.000 0.219 177 A C 2.284 179.886 177.584 0.030 0.000 1.169 177 A CA 1.888 53.938 52.037 0.020 0.000 0.635 177 A CB -1.483 17.528 19.000 0.018 0.000 0.810 177 A HN 0.205 nan 8.150 nan 0.000 0.446 178 A N -0.037 122.793 122.820 0.016 0.000 1.933 178 A HA -0.165 4.134 4.320 -0.036 0.000 0.218 178 A C 2.119 179.745 177.584 0.070 0.000 1.175 178 A CA 1.967 54.016 52.037 0.020 0.000 0.628 178 A CB -0.404 18.570 19.000 -0.043 0.000 0.814 178 A HN 0.579 nan 8.150 nan 0.000 0.444 179 K N -0.216 120.213 120.400 0.048 0.000 2.057 179 K HA -0.041 4.258 4.320 -0.036 0.000 0.206 179 K C 1.799 178.481 176.600 0.136 0.000 1.050 179 K CA 1.330 57.673 56.287 0.094 0.000 0.935 179 K CB -0.318 32.206 32.500 0.040 0.000 0.715 179 K HN 0.476 nan 8.250 nan 0.000 0.439 180 I N 1.761 122.381 120.570 0.083 0.000 2.163 180 I HA -0.336 3.813 4.170 -0.036 0.000 0.243 180 I C 1.943 178.107 176.117 0.078 0.000 1.085 180 I CA 1.234 62.576 61.300 0.069 0.000 1.347 180 I CB -0.457 37.569 38.000 0.043 0.000 1.044 180 I HN 0.264 nan 8.210 nan 0.000 0.408 181 N N 0.185 118.937 118.700 0.085 0.000 2.142 181 N HA -0.215 4.504 4.740 -0.036 0.000 0.186 181 N C 1.528 177.098 175.510 0.100 0.000 1.023 181 N CA 1.142 54.235 53.050 0.072 0.000 0.852 181 N CB -0.462 38.066 38.487 0.067 0.000 0.998 181 N HN 0.549 nan 8.380 nan 0.000 0.424 182 W N 2.571 123.862 121.300 -0.015 0.000 2.333 182 W HA -0.189 4.454 4.660 -0.027 0.000 0.316 182 W C 0.799 177.324 176.519 0.010 0.000 1.215 182 W CA 1.381 58.721 57.345 -0.008 0.000 1.278 182 W CB -0.220 29.226 29.460 -0.024 0.000 1.154 182 W HN 0.044 nan 8.180 nan 0.000 0.486 183 D N -0.196 120.280 120.400 0.126 0.000 2.144 183 D HA -0.172 4.447 4.640 -0.036 0.000 0.199 183 D C 2.355 178.623 176.300 -0.054 0.000 0.984 183 D CA 1.800 55.816 54.000 0.026 0.000 0.834 183 D CB -0.693 40.169 40.800 0.103 0.000 0.955 183 D HN 0.026 nan 8.370 nan 0.000 0.465 184 R N 0.841 121.325 120.500 -0.027 0.000 2.075 184 R HA -0.098 4.220 4.340 -0.036 0.000 0.232 184 R C 1.470 177.737 176.300 -0.054 0.000 1.126 184 R CA 1.490 57.574 56.100 -0.027 0.000 0.963 184 R CB -0.815 29.478 30.300 -0.011 0.000 0.858 184 R HN 0.212 nan 8.270 nan 0.000 0.435 185 D N 0.265 120.594 120.400 -0.119 0.000 2.144 185 D HA 0.005 4.623 4.640 -0.036 0.000 0.200 185 D C 2.012 178.211 176.300 -0.169 0.000 0.978 185 D CA 1.211 55.127 54.000 -0.140 0.000 0.833 185 D CB -0.192 40.494 40.800 -0.190 0.000 0.961 185 D HN 0.291 nan 8.370 nan 0.000 0.470 186 I N 1.409 121.771 120.570 -0.347 0.000 2.179 186 I HA -0.193 3.955 4.170 -0.036 0.000 0.242 186 I C 2.170 178.207 176.117 -0.132 0.000 1.088 186 I CA 1.183 62.295 61.300 -0.313 0.000 1.357 186 I CB -0.679 37.073 38.000 -0.414 0.000 1.051 186 I HN 0.008 nan 8.210 nan 0.000 0.409 187 E N 0.032 120.182 120.200 -0.084 0.000 2.085 187 E HA -0.263 4.065 4.350 -0.036 0.000 0.194 187 E C 2.083 178.667 176.600 -0.027 0.000 0.994 187 E CA 1.228 57.604 56.400 -0.040 0.000 0.801 187 E CB -0.716 28.975 29.700 -0.015 0.000 0.743 187 E HN 0.576 nan 8.360 nan 0.000 0.453 188 Y N 0.940 121.176 120.300 -0.107 0.000 2.128 188 Y HA -0.232 4.296 4.550 -0.036 0.000 0.284 188 Y C 2.206 178.048 175.900 -0.097 0.000 1.154 188 Y CA 1.771 59.811 58.100 -0.100 0.000 1.149 188 Y CB -0.148 38.240 38.460 -0.120 0.000 0.976 188 Y HN -0.064 nan 8.280 nan 0.000 0.505 189 M N 0.045 119.567 119.600 -0.131 0.000 2.175 189 M HA -0.112 4.347 4.480 -0.036 0.000 0.264 189 M C 2.462 178.650 176.300 -0.187 0.000 1.063 189 M CA 1.471 56.659 55.300 -0.186 0.000 1.119 189 M CB -1.737 30.837 32.600 -0.044 0.000 1.377 189 M HN 0.498 nan 8.290 nan 0.000 0.415 190 A N 0.361 123.101 122.820 -0.134 0.000 1.902 190 A HA -0.029 4.270 4.320 -0.036 0.000 0.217 190 A C 2.436 179.934 177.584 -0.144 0.000 1.181 190 A CA 1.991 53.966 52.037 -0.103 0.000 0.623 190 A CB -1.417 17.544 19.000 -0.064 0.000 0.818 190 A HN 0.505 nan 8.150 nan 0.000 0.443 191 G N -0.159 108.527 108.800 -0.190 0.000 2.422 191 G HA2 -0.139 3.799 3.960 -0.036 0.000 0.218 191 G HA3 -0.139 3.799 3.960 -0.036 0.000 0.218 191 G C 1.404 176.155 174.900 -0.249 0.000 1.146 191 G CA 1.011 45.990 45.100 -0.201 0.000 0.769 191 G HN 0.358 nan 8.290 nan 0.000 0.547 192 I N 0.818 121.168 120.570 -0.366 0.000 2.208 192 I HA -0.094 4.054 4.170 -0.036 0.000 0.245 192 I C 2.790 178.785 176.117 -0.202 0.000 1.097 192 I CA 0.961 62.069 61.300 -0.320 0.000 1.363 192 I CB -0.892 36.868 38.000 -0.399 0.000 1.051 192 I HN 0.162 nan 8.210 nan 0.000 0.413 193 L N 0.081 121.194 121.223 -0.183 0.000 2.191 193 L HA -0.161 4.157 4.340 -0.036 0.000 0.212 193 L C 2.186 178.963 176.870 -0.155 0.000 1.103 193 L CA 1.043 55.782 54.840 -0.169 0.000 0.769 193 L CB -0.367 41.592 42.059 -0.167 0.000 0.908 193 L HN 0.212 nan 8.230 nan 0.000 0.438 194 E N -0.606 119.511 120.200 -0.138 0.000 2.474 194 E HA 0.018 4.346 4.350 -0.036 0.000 0.194 194 E C 0.225 176.764 176.600 -0.102 0.000 1.041 194 E CA -0.015 56.318 56.400 -0.112 0.000 0.874 194 E CB -0.020 29.623 29.700 -0.094 0.000 0.914 194 E HN 0.253 nan 8.360 nan 0.000 0.498 195 N N 2.257 120.889 118.700 -0.114 0.000 2.406 195 N HA 0.048 4.766 4.740 -0.036 0.000 0.251 195 N C -1.730 173.730 175.510 -0.083 0.000 1.069 195 N CA -1.829 51.163 53.050 -0.097 0.000 0.947 195 N CB 1.384 39.803 38.487 -0.114 0.000 1.111 195 N HN -0.175 nan 8.380 nan 0.000 0.497 196 P HA -0.050 nan 4.420 nan 0.000 0.225 196 P C 0.275 177.543 177.300 -0.053 0.000 1.148 196 P CA 0.772 63.836 63.100 -0.059 0.000 0.779 196 P CB 0.474 32.145 31.700 -0.048 0.000 0.780 197 N N -0.036 118.634 118.700 -0.051 0.000 2.459 197 N HA -0.012 4.706 4.740 -0.036 0.000 0.181 197 N C 0.636 176.118 175.510 -0.047 0.000 1.046 197 N CA 0.638 53.663 53.050 -0.042 0.000 0.904 197 N CB -0.054 38.413 38.487 -0.034 0.000 0.964 197 N HN 0.212 nan 8.380 nan 0.000 0.444 198 I N 1.833 122.367 120.570 -0.060 0.000 2.269 198 I HA 0.078 4.226 4.170 -0.036 0.000 0.293 198 I C 1.175 177.253 176.117 -0.065 0.000 1.106 198 I CA 0.290 61.553 61.300 -0.063 0.000 1.248 198 I CB 0.046 37.998 38.000 -0.080 0.000 1.444 198 I HN -0.017 nan 8.210 nan 0.000 0.497 199 T N -0.157 114.364 114.554 -0.055 0.000 3.004 199 T HA 0.122 4.451 4.350 -0.036 0.000 0.266 199 T C 0.746 175.415 174.700 -0.051 0.000 0.986 199 T CA -0.019 62.049 62.100 -0.054 0.000 0.902 199 T CB 0.299 69.139 68.868 -0.046 0.000 1.118 199 T HN 0.503 nan 8.240 nan 0.000 0.522 200 T N -1.295 113.229 114.554 -0.049 0.000 2.927 200 T HA 0.707 5.036 4.350 -0.036 0.000 0.286 200 T C 0.844 175.516 174.700 -0.047 0.000 1.040 200 T CA -0.072 61.999 62.100 -0.048 0.000 1.010 200 T CB 1.186 70.023 68.868 -0.052 0.000 1.177 200 T HN 1.222 nan 8.240 nan 0.000 0.546 201 G N 0.287 109.059 108.800 -0.046 0.000 2.697 201 G HA2 -0.145 3.794 3.960 -0.036 0.000 0.240 201 G HA3 -0.145 3.794 3.960 -0.036 0.000 0.240 201 G C 0.418 175.297 174.900 -0.035 0.000 1.346 201 G CA 0.124 45.201 45.100 -0.037 0.000 0.887 201 G HN 1.468 nan 8.290 nan 0.000 0.569 202 L N -0.538 120.672 121.223 -0.022 0.000 2.017 202 L HA 0.022 4.341 4.340 -0.036 0.000 0.208 202 L C 2.956 179.804 176.870 -0.037 0.000 1.073 202 L CA 3.193 58.012 54.840 -0.034 0.000 0.745 202 L CB -0.461 41.584 42.059 -0.023 0.000 0.894 202 L HN 0.637 nan 8.230 nan 0.000 0.432 203 M N -0.680 118.909 119.600 -0.019 0.000 2.254 203 M HA 0.031 4.489 4.480 -0.036 0.000 0.265 203 M C 2.290 178.547 176.300 -0.072 0.000 1.066 203 M CA 1.289 56.567 55.300 -0.038 0.000 1.123 203 M CB -2.198 30.386 32.600 -0.027 0.000 1.388 203 M HN 0.401 nan 8.290 nan 0.000 0.425 204 G N -0.052 108.709 108.800 -0.064 0.000 2.418 204 G HA2 -0.243 3.696 3.960 -0.036 0.000 0.217 204 G HA3 -0.243 3.696 3.960 -0.036 0.000 0.217 204 G C 1.577 176.424 174.900 -0.089 0.000 1.158 204 G CA 1.151 46.205 45.100 -0.076 0.000 0.771 204 G HN 0.437 nan 8.290 nan 0.000 0.545 205 E N 0.500 120.652 120.200 -0.081 0.000 2.047 205 E HA 0.005 4.334 4.350 -0.036 0.000 0.191 205 E C 2.556 179.082 176.600 -0.124 0.000 0.987 205 E CA 0.622 56.968 56.400 -0.090 0.000 0.799 205 E CB -0.477 29.178 29.700 -0.074 0.000 0.752 205 E HN 0.411 nan 8.360 nan 0.000 0.449 206 L N 0.085 121.242 121.223 -0.110 0.000 2.079 206 L HA -0.178 4.141 4.340 -0.036 0.000 0.210 206 L C 2.507 179.178 176.870 -0.332 0.000 1.081 206 L CA 1.306 56.067 54.840 -0.133 0.000 0.752 206 L CB -0.454 41.609 42.059 0.007 0.000 0.896 206 L HN 0.110 nan 8.230 nan 0.000 0.433 207 S N -0.535 115.011 115.700 -0.257 0.000 2.368 207 S HA -0.164 4.285 4.470 -0.036 0.000 0.225 207 S C 2.076 176.522 174.600 -0.257 0.000 1.030 207 S CA 1.200 59.231 58.200 -0.282 0.000 0.999 207 S CB -0.157 62.932 63.200 -0.186 0.000 0.844 207 S HN 0.363 nan 8.310 nan 0.000 0.459 208 R N 0.529 120.915 120.500 -0.191 0.000 2.066 208 R HA 0.071 4.390 4.340 -0.036 0.000 0.232 208 R C 2.262 178.467 176.300 -0.159 0.000 1.131 208 R CA 1.039 57.052 56.100 -0.145 0.000 0.955 208 R CB -0.500 29.741 30.300 -0.099 0.000 0.851 208 R HN 0.348 nan 8.270 nan 0.000 0.432 209 L N 0.235 121.328 121.223 -0.216 0.000 2.131 209 L HA -0.163 4.155 4.340 -0.036 0.000 0.210 209 L C 2.707 179.467 176.870 -0.183 0.000 1.092 209 L CA 1.192 55.877 54.840 -0.259 0.000 0.759 209 L CB -0.418 41.340 42.059 -0.501 0.000 0.903 209 L HN 0.186 nan 8.230 nan 0.000 0.435 210 R N 0.539 120.779 120.500 -0.433 0.000 2.127 210 R HA -0.149 4.169 4.340 -0.036 0.000 0.238 210 R C 1.512 177.719 176.300 -0.155 0.000 1.134 210 R CA 1.163 56.956 56.100 -0.511 0.000 0.975 210 R CB 0.151 29.845 30.300 -1.011 0.000 0.865 210 R HN 0.143 nan 8.270 nan 0.000 0.447 211 K N 0.554 120.878 120.400 -0.127 0.000 2.387 211 K HA 0.071 4.369 4.320 -0.036 0.000 0.198 211 K C -0.309 176.292 176.600 0.001 0.000 1.022 211 K CA 0.029 56.280 56.287 -0.059 0.000 1.128 211 K CB 0.241 32.694 32.500 -0.078 0.000 0.853 211 K HN 0.262 nan 8.250 nan 0.000 0.523 212 D N 1.499 121.937 120.400 0.064 0.000 2.256 212 D HA 0.092 4.711 4.640 -0.036 0.000 0.250 212 D C -1.836 174.542 176.300 0.131 0.000 1.093 212 D CA -1.998 52.075 54.000 0.121 0.000 0.882 212 D CB 2.117 43.047 40.800 0.216 0.000 1.185 212 D HN -0.190 nan 8.370 nan 0.000 0.437 213 P HA -0.103 nan 4.420 nan 0.000 0.218 213 P C 0.813 178.104 177.300 -0.016 0.000 1.148 213 P CA 0.970 64.080 63.100 0.017 0.000 0.822 213 P CB 0.088 31.791 31.700 0.004 0.000 0.784 214 A N -2.225 120.561 122.820 -0.057 0.000 2.216 214 A HA -0.111 4.188 4.320 -0.036 0.000 0.214 214 A C 0.819 178.036 177.584 -0.611 0.000 1.160 214 A CA 1.014 52.861 52.037 -0.316 0.000 0.725 214 A CB -1.255 17.494 19.000 -0.419 0.000 0.784 214 A HN 0.248 nan 8.150 nan 0.000 0.472 215 Y N -0.992 119.352 120.300 0.074 0.000 2.707 215 Y HA 0.101 4.629 4.550 -0.036 0.000 0.249 215 Y C 2.051 178.013 175.900 0.104 0.000 1.166 215 Y CA 0.086 58.261 58.100 0.125 0.000 1.184 215 Y CB -0.102 38.494 38.460 0.227 0.000 1.240 215 Y HN 0.324 nan 8.280 nan 0.000 0.547 216 S N -1.064 114.676 115.700 0.067 0.000 2.419 216 S HA -0.176 4.273 4.470 -0.036 0.000 0.233 216 S C 0.988 175.463 174.600 -0.209 0.000 1.016 216 S CA 1.458 59.601 58.200 -0.095 0.000 0.974 216 S CB -0.384 62.677 63.200 -0.233 0.000 0.786 216 S HN 0.496 nan 8.310 nan 0.000 0.492 217 H N 0.377 119.501 119.070 0.091 0.000 2.505 217 H HA 0.454 4.988 4.556 -0.036 0.000 0.286 217 H C -0.303 175.071 175.328 0.076 0.000 1.072 217 H CA -0.255 55.835 56.048 0.071 0.000 1.141 217 H CB 0.186 29.968 29.762 0.033 0.000 1.550 217 H HN 0.247 nan 8.280 nan 0.000 0.547 218 V N 2.726 122.757 119.914 0.196 0.000 2.530 218 V HA 0.038 4.137 4.120 -0.036 0.000 0.282 218 V C 0.881 177.046 176.094 0.118 0.000 1.048 218 V CA -0.503 61.857 62.300 0.099 0.000 0.997 218 V CB 1.410 33.248 31.823 0.025 0.000 0.987 218 V HN 0.417 nan 8.190 nan 0.000 0.477 219 S N 2.534 118.255 115.700 0.034 0.000 2.576 219 S HA 0.121 4.570 4.470 -0.036 0.000 0.276 219 S C 0.688 175.393 174.600 0.176 0.000 1.339 219 S CA -0.550 57.707 58.200 0.095 0.000 1.039 219 S CB 0.950 64.186 63.200 0.061 0.000 0.902 219 S HN 0.687 nan 8.310 nan 0.000 0.516 220 D N 1.340 121.872 120.400 0.220 0.000 2.182 220 D HA -0.102 4.517 4.640 -0.036 0.000 0.201 220 D C 1.718 178.126 176.300 0.180 0.000 0.986 220 D CA 1.507 55.658 54.000 0.252 0.000 0.847 220 D CB -0.297 40.582 40.800 0.131 0.000 0.942 220 D HN 0.853 nan 8.370 nan 0.000 0.467 221 E N 0.504 120.773 120.200 0.116 0.000 2.058 221 E HA -0.164 4.164 4.350 -0.036 0.000 0.194 221 E C 1.926 178.580 176.600 0.090 0.000 0.997 221 E CA 0.634 57.092 56.400 0.096 0.000 0.801 221 E CB -0.422 29.333 29.700 0.092 0.000 0.746 221 E HN 0.195 nan 8.360 nan 0.000 0.450 222 L N -0.354 120.891 121.223 0.036 0.000 2.046 222 L HA -0.037 4.281 4.340 -0.036 0.000 0.208 222 L C 2.121 178.973 176.870 -0.030 0.000 1.077 222 L CA 1.722 56.544 54.840 -0.031 0.000 0.747 222 L CB -0.755 41.209 42.059 -0.157 0.000 0.896 222 L HN 0.232 nan 8.230 nan 0.000 0.432 223 F N -0.211 119.756 119.950 0.029 0.000 2.095 223 F HA -0.259 4.247 4.527 -0.035 0.000 0.298 223 F C 2.508 178.303 175.800 -0.008 0.000 1.104 223 F CA 1.391 59.389 58.000 -0.004 0.000 1.232 223 F CB -0.815 38.169 39.000 -0.026 0.000 0.987 223 F HN 0.222 nan 8.300 nan 0.000 0.475 224 A N -0.474 122.449 122.820 0.173 0.000 1.902 224 A HA -0.167 4.132 4.320 -0.036 0.000 0.217 224 A C 2.165 179.768 177.584 0.032 0.000 1.181 224 A CA 2.170 54.243 52.037 0.059 0.000 0.623 224 A CB -1.270 17.732 19.000 0.003 0.000 0.818 224 A HN 0.337 nan 8.150 nan 0.000 0.443 225 T N 0.473 115.069 114.554 0.071 0.000 2.788 225 T HA -0.113 4.215 4.350 -0.036 0.000 0.268 225 T C 1.759 176.579 174.700 0.200 0.000 1.044 225 T CA 1.532 63.709 62.100 0.130 0.000 1.139 225 T CB -0.451 68.559 68.868 0.237 0.000 0.867 225 T HN 0.444 nan 8.240 nan 0.000 0.454 226 I N 1.150 121.828 120.570 0.181 0.000 2.163 226 I HA -0.145 4.004 4.170 -0.036 0.000 0.243 226 I C 2.887 179.165 176.117 0.267 0.000 1.085 226 I CA 1.382 62.815 61.300 0.222 0.000 1.347 226 I CB -0.782 37.247 38.000 0.048 0.000 1.044 226 I HN 0.311 nan 8.210 nan 0.000 0.408 227 G N 0.497 109.400 108.800 0.172 0.000 2.421 227 G HA2 -0.189 3.750 3.960 -0.036 0.000 0.216 227 G HA3 -0.189 3.750 3.960 -0.036 0.000 0.216 227 G C 1.703 176.748 174.900 0.243 0.000 1.171 227 G CA 1.009 46.222 45.100 0.189 0.000 0.775 227 G HN 0.249 nan 8.290 nan 0.000 0.543 228 V N 1.755 121.748 119.914 0.132 0.000 2.343 228 V HA -0.193 3.906 4.120 -0.036 0.000 0.247 228 V C 3.357 179.618 176.094 0.278 0.000 1.051 228 V CA 2.509 64.862 62.300 0.088 0.000 1.036 228 V CB -1.057 30.598 31.823 -0.280 0.000 0.654 228 V HN 0.670 nan 8.190 nan 0.000 0.451 229 T N -1.874 112.883 114.554 0.338 0.000 2.777 229 T HA -0.158 4.171 4.350 -0.036 0.000 0.266 229 T C 1.802 176.668 174.700 0.277 0.000 1.040 229 T CA 1.469 63.783 62.100 0.356 0.000 1.141 229 T CB -0.564 68.513 68.868 0.347 0.000 0.868 229 T HN 0.293 nan 8.240 nan 0.000 0.444 230 F N 0.563 120.646 119.950 0.222 0.000 2.163 230 F HA 0.225 4.731 4.527 -0.034 0.000 0.297 230 F C 2.062 177.982 175.800 0.199 0.000 1.094 230 F CA -0.080 58.038 58.000 0.196 0.000 1.290 230 F CB -0.829 38.280 39.000 0.181 0.000 1.017 230 F HN 0.130 nan 8.300 nan 0.000 0.483 231 F N 0.724 120.841 119.950 0.278 0.000 2.069 231 F HA -0.119 4.386 4.527 -0.037 0.000 0.298 231 F C 2.407 178.230 175.800 0.039 0.000 1.113 231 F CA 1.955 60.054 58.000 0.166 0.000 1.214 231 F CB -0.905 38.195 39.000 0.167 0.000 0.978 231 F HN -0.050 nan 8.300 nan 0.000 0.474 232 G N -0.537 108.462 108.800 0.331 0.000 2.404 232 G HA2 -0.187 3.751 3.960 -0.036 0.000 0.215 232 G HA3 -0.187 3.751 3.960 -0.036 0.000 0.215 232 G C 1.793 176.680 174.900 -0.022 0.000 1.174 232 G CA 0.785 46.059 45.100 0.291 0.000 0.780 232 G HN 0.619 nan 8.290 nan 0.000 0.537 233 A N 0.868 123.708 122.820 0.033 0.000 1.902 233 A HA 0.144 4.442 4.320 -0.036 0.000 0.217 233 A C 2.692 180.090 177.584 -0.311 0.000 1.181 233 A CA 2.190 54.128 52.037 -0.166 0.000 0.623 233 A CB -1.094 17.841 19.000 -0.107 0.000 0.818 233 A HN 0.526 nan 8.150 nan 0.000 0.443 234 G N -0.711 107.886 108.800 -0.337 0.000 2.404 234 G HA2 -0.076 3.863 3.960 -0.036 0.000 0.215 234 G HA3 -0.076 3.863 3.960 -0.036 0.000 0.215 234 G C 1.521 175.907 174.900 -0.857 0.000 1.174 234 G CA 1.212 46.024 45.100 -0.479 0.000 0.780 234 G HN 0.310 nan 8.290 nan 0.000 0.537 235 V N 0.727 119.999 119.914 -1.070 0.000 2.295 235 V HA -0.124 3.974 4.120 -0.036 0.000 0.246 235 V C 2.608 178.475 176.094 -0.379 0.000 1.049 235 V CA 1.544 63.395 62.300 -0.749 0.000 1.024 235 V CB -0.343 31.042 31.823 -0.730 0.000 0.648 235 V HN 0.336 nan 8.190 nan 0.000 0.447 236 I N -0.124 120.200 120.570 -0.410 0.000 2.315 236 I HA -0.162 3.986 4.170 -0.036 0.000 0.248 236 I C 2.439 178.385 176.117 -0.286 0.000 1.117 236 I CA 1.578 62.660 61.300 -0.364 0.000 1.404 236 I CB -0.193 37.355 38.000 -0.753 0.000 1.071 236 I HN 0.209 nan 8.210 nan 0.000 0.419 237 S N -0.542 114.976 115.700 -0.304 0.000 2.371 237 S HA -0.149 4.300 4.470 -0.036 0.000 0.224 237 S C 1.995 176.595 174.600 -0.000 0.000 1.029 237 S CA 1.657 59.775 58.200 -0.136 0.000 0.978 237 S CB -0.708 62.448 63.200 -0.072 0.000 0.833 237 S HN 0.709 nan 8.310 nan 0.000 0.466 238 T N 0.352 114.861 114.554 -0.076 0.000 2.812 238 T HA 0.025 4.354 4.350 -0.036 0.000 0.264 238 T C 2.045 176.733 174.700 -0.020 0.000 1.042 238 T CA 1.289 63.345 62.100 -0.075 0.000 1.140 238 T CB -1.024 67.574 68.868 -0.449 0.000 0.870 238 T HN 0.346 nan 8.240 nan 0.000 0.445 239 G N 1.118 109.874 108.800 -0.072 0.000 2.418 239 G HA2 -0.156 3.782 3.960 -0.036 0.000 0.217 239 G HA3 -0.156 3.782 3.960 -0.036 0.000 0.217 239 G C 1.892 176.829 174.900 0.061 0.000 1.158 239 G CA 1.013 46.126 45.100 0.022 0.000 0.771 239 G HN 0.564 nan 8.290 nan 0.000 0.545 240 S N 0.259 115.996 115.700 0.061 0.000 2.371 240 S HA -0.032 4.416 4.470 -0.036 0.000 0.224 240 S C 1.888 176.565 174.600 0.129 0.000 1.029 240 S CA 0.915 59.167 58.200 0.087 0.000 0.978 240 S CB -0.359 62.884 63.200 0.073 0.000 0.833 240 S HN 0.387 nan 8.310 nan 0.000 0.466 241 F N 2.727 122.711 119.950 0.056 0.000 2.102 241 F HA -0.082 4.423 4.527 -0.036 0.000 0.298 241 F C 1.911 177.772 175.800 0.102 0.000 1.105 241 F CA 0.976 59.023 58.000 0.079 0.000 1.239 241 F CB -0.731 38.313 39.000 0.073 0.000 0.991 241 F HN 0.154 nan 8.300 nan 0.000 0.474 242 L N 0.323 121.449 121.223 -0.162 0.000 2.042 242 L HA -0.166 4.152 4.340 -0.036 0.000 0.210 242 L C 2.250 179.014 176.870 -0.176 0.000 1.076 242 L CA 2.553 57.253 54.840 -0.232 0.000 0.749 242 L CB -1.443 40.643 42.059 0.045 0.000 0.893 242 L HN 0.240 nan 8.230 nan 0.000 0.432 243 T N -0.925 113.590 114.554 -0.064 0.000 2.652 243 T HA -0.198 4.130 4.350 -0.036 0.000 0.267 243 T C 1.722 176.406 174.700 -0.027 0.000 1.039 243 T CA 2.272 64.360 62.100 -0.020 0.000 1.153 243 T CB -0.657 68.214 68.868 0.005 0.000 0.863 243 T HN 0.697 nan 8.240 nan 0.000 0.428 244 T N 0.446 114.988 114.554 -0.020 0.000 2.985 244 T HA 0.252 4.580 4.350 -0.036 0.000 0.266 244 T C 2.236 176.911 174.700 -0.042 0.000 1.076 244 T CA 0.848 62.984 62.100 0.059 0.000 1.135 244 T CB -0.414 68.564 68.868 0.183 0.000 0.890 244 T HN 0.315 nan 8.240 nan 0.000 0.480 245 A N 1.766 124.423 122.820 -0.272 0.000 1.933 245 A HA 0.178 4.476 4.320 -0.036 0.000 0.218 245 A C 2.372 179.878 177.584 -0.130 0.000 1.175 245 A CA 1.121 52.978 52.037 -0.299 0.000 0.628 245 A CB -0.902 17.671 19.000 -0.711 0.000 0.814 245 A HN 0.530 nan 8.150 nan 0.000 0.444 246 L N -0.586 120.575 121.223 -0.103 0.000 2.083 246 L HA -0.180 4.139 4.340 -0.036 0.000 0.209 246 L C 2.435 179.306 176.870 0.002 0.000 1.083 246 L CA 1.129 55.951 54.840 -0.030 0.000 0.752 246 L CB -0.502 41.559 42.059 0.003 0.000 0.899 246 L HN 0.390 nan 8.230 nan 0.000 0.433 247 I N -0.849 119.735 120.570 0.023 0.000 2.179 247 I HA -0.293 3.856 4.170 -0.036 0.000 0.242 247 I C 2.611 178.762 176.117 0.057 0.000 1.088 247 I CA 1.260 62.597 61.300 0.061 0.000 1.357 247 I CB -0.313 37.763 38.000 0.127 0.000 1.051 247 I HN 0.159 nan 8.210 nan 0.000 0.409 248 S N 0.773 116.503 115.700 0.049 0.000 2.383 248 S HA -0.185 4.264 4.470 -0.036 0.000 0.229 248 S C 1.881 176.500 174.600 0.032 0.000 1.030 248 S CA 1.350 59.579 58.200 0.047 0.000 1.002 248 S CB -0.392 62.833 63.200 0.042 0.000 0.829 248 S HN 0.299 nan 8.310 nan 0.000 0.467 249 L N 1.665 122.899 121.223 0.017 0.000 2.044 249 L HA 0.140 4.459 4.340 -0.036 0.000 0.205 249 L C 1.918 178.798 176.870 0.018 0.000 1.075 249 L CA 1.465 56.314 54.840 0.015 0.000 0.747 249 L CB -0.570 41.492 42.059 0.005 0.000 0.903 249 L HN 0.252 nan 8.230 nan 0.000 0.435 250 I N -0.526 120.055 120.570 0.018 0.000 2.264 250 I HA -0.272 3.877 4.170 -0.036 0.000 0.248 250 I C 1.921 178.053 176.117 0.025 0.000 1.111 250 I CA 0.871 62.183 61.300 0.020 0.000 1.382 250 I CB -0.302 37.712 38.000 0.023 0.000 1.060 250 I HN 0.382 nan 8.210 nan 0.000 0.418 251 Q N 0.844 120.664 119.800 0.033 0.000 2.482 251 Q HA 0.034 4.353 4.340 -0.036 0.000 0.209 251 Q C 0.306 176.324 176.000 0.030 0.000 0.961 251 Q CA 0.645 56.470 55.803 0.035 0.000 0.945 251 Q CB 0.045 28.812 28.738 0.048 0.000 1.012 251 Q HN 0.492 nan 8.270 nan 0.000 0.515 252 R N 0.279 120.795 120.500 0.026 0.000 2.651 252 R HA 0.210 4.528 4.340 -0.036 0.000 0.282 252 R C -1.930 174.382 176.300 0.020 0.000 1.565 252 R CA -1.510 54.605 56.100 0.023 0.000 1.661 252 R CB 0.925 31.240 30.300 0.024 0.000 1.189 252 R HN -0.081 nan 8.270 nan 0.000 0.621 253 P HA -0.256 nan 4.420 nan 0.000 0.216 253 P C 1.211 178.521 177.300 0.017 0.000 1.150 253 P CA 1.184 64.291 63.100 0.013 0.000 0.843 253 P CB 0.330 32.035 31.700 0.010 0.000 0.787 254 Q N -0.911 118.901 119.800 0.019 0.000 2.084 254 Q HA -0.189 4.130 4.340 -0.036 0.000 0.202 254 Q C 1.986 178.002 176.000 0.027 0.000 0.978 254 Q CA 1.222 57.038 55.803 0.022 0.000 0.844 254 Q CB -0.604 28.146 28.738 0.019 0.000 0.898 254 Q HN 0.121 nan 8.270 nan 0.000 0.426 255 L N 0.803 122.041 121.223 0.025 0.000 2.072 255 L HA -0.134 4.185 4.340 -0.036 0.000 0.205 255 L C 2.466 179.357 176.870 0.035 0.000 1.079 255 L CA 1.712 56.569 54.840 0.028 0.000 0.752 255 L CB -0.588 41.485 42.059 0.024 0.000 0.906 255 L HN 0.127 nan 8.230 nan 0.000 0.436 256 R N -0.416 120.103 120.500 0.031 0.000 2.096 256 R HA -0.221 4.097 4.340 -0.036 0.000 0.240 256 R C 1.979 178.316 176.300 0.061 0.000 1.139 256 R CA 2.048 58.169 56.100 0.034 0.000 0.952 256 R CB -0.359 29.949 30.300 0.014 0.000 0.854 256 R HN 0.472 nan 8.270 nan 0.000 0.436 257 N N 0.878 119.610 118.700 0.053 0.000 2.142 257 N HA -0.172 4.546 4.740 -0.036 0.000 0.186 257 N C 1.703 177.277 175.510 0.107 0.000 1.023 257 N CA 0.974 54.075 53.050 0.086 0.000 0.852 257 N CB -0.428 38.093 38.487 0.056 0.000 0.998 257 N HN 0.187 nan 8.380 nan 0.000 0.424 258 L N 1.218 122.481 121.223 0.066 0.000 2.017 258 L HA -0.028 4.291 4.340 -0.036 0.000 0.208 258 L C 1.955 178.853 176.870 0.048 0.000 1.073 258 L CA 1.382 56.252 54.840 0.049 0.000 0.745 258 L CB -0.622 41.458 42.059 0.035 0.000 0.894 258 L HN 0.108 nan 8.230 nan 0.000 0.432 259 L N -1.194 120.064 121.223 0.057 0.000 2.141 259 L HA -0.221 4.097 4.340 -0.036 0.000 0.209 259 L C 2.673 179.579 176.870 0.060 0.000 1.094 259 L CA 1.388 56.259 54.840 0.051 0.000 0.763 259 L CB -1.049 41.040 42.059 0.051 0.000 0.908 259 L HN 0.518 nan 8.230 nan 0.000 0.437 260 H N 0.240 119.311 119.070 0.001 0.000 2.321 260 H HA -0.210 4.325 4.556 -0.036 0.000 0.300 260 H C 2.203 177.531 175.328 -0.001 0.000 1.087 260 H CA 2.085 58.131 56.048 -0.003 0.000 1.319 260 H CB 0.411 30.171 29.762 -0.005 0.000 1.379 260 H HN 0.249 nan 8.280 nan 0.000 0.501 261 E N 0.971 121.110 120.200 -0.102 0.000 2.107 261 E HA -0.043 4.286 4.350 -0.036 0.000 0.191 261 E C 0.476 177.012 176.600 -0.106 0.000 0.982 261 E CA 0.785 57.103 56.400 -0.135 0.000 0.809 261 E CB 0.069 29.763 29.700 -0.011 0.000 0.756 261 E HN 0.566 nan 8.360 nan 0.000 0.459 262 K N 0.367 120.734 120.400 -0.055 0.000 2.762 262 K HA 0.269 4.568 4.320 -0.036 0.000 0.180 262 K C -2.341 174.246 176.600 -0.022 0.000 1.067 262 K CA -1.437 54.830 56.287 -0.033 0.000 0.973 262 K CB 1.935 34.429 32.500 -0.011 0.000 1.290 262 K HN 0.175 nan 8.250 nan 0.000 0.604 263 P HA -0.229 nan 4.420 nan 0.000 0.225 263 P C 0.953 178.255 177.300 0.003 0.000 1.148 263 P CA 1.087 64.178 63.100 -0.014 0.000 0.779 263 P CB 0.299 31.982 31.700 -0.028 0.000 0.780 264 E N 0.831 121.031 120.200 0.001 0.000 2.333 264 E HA -0.140 4.189 4.350 -0.036 0.000 0.198 264 E C 1.651 178.263 176.600 0.020 0.000 1.007 264 E CA 0.849 57.256 56.400 0.011 0.000 0.845 264 E CB -1.142 28.562 29.700 0.007 0.000 0.766 264 E HN 0.338 nan 8.360 nan 0.000 0.507 265 L N 0.505 121.739 121.223 0.020 0.000 2.599 265 L HA 0.129 4.448 4.340 -0.036 0.000 0.230 265 L C 2.371 179.264 176.870 0.038 0.000 1.141 265 L CA -0.024 54.833 54.840 0.028 0.000 0.877 265 L CB -0.275 41.799 42.059 0.024 0.000 1.009 265 L HN 0.021 nan 8.230 nan 0.000 0.447 266 I N 0.664 121.258 120.570 0.039 0.000 2.226 266 I HA -0.192 3.957 4.170 -0.036 0.000 0.245 266 I C -0.249 175.909 176.117 0.068 0.000 1.100 266 I CA 1.386 62.716 61.300 0.051 0.000 1.374 266 I CB -1.158 36.870 38.000 0.047 0.000 1.057 266 I HN 0.218 nan 8.210 nan 0.000 0.413 267 P HA -0.197 nan 4.420 nan 0.000 0.215 267 P C 1.491 178.844 177.300 0.090 0.000 1.153 267 P CA 1.887 65.038 63.100 0.086 0.000 0.853 267 P CB -0.026 31.719 31.700 0.076 0.000 0.788 268 A N -0.314 122.549 122.820 0.071 0.000 1.933 268 A HA -0.070 4.228 4.320 -0.036 0.000 0.218 268 A C 2.484 180.105 177.584 0.062 0.000 1.175 268 A CA 2.017 54.094 52.037 0.067 0.000 0.628 268 A CB -1.866 17.165 19.000 0.051 0.000 0.814 268 A HN 0.277 nan 8.150 nan 0.000 0.444 269 G N -0.551 108.284 108.800 0.058 0.000 2.421 269 G HA2 -0.128 3.811 3.960 -0.036 0.000 0.216 269 G HA3 -0.128 3.811 3.960 -0.036 0.000 0.216 269 G C 1.502 176.448 174.900 0.076 0.000 1.171 269 G CA 1.217 46.349 45.100 0.054 0.000 0.775 269 G HN 0.312 nan 8.290 nan 0.000 0.543 270 V N 0.564 120.544 119.914 0.110 0.000 2.407 270 V HA -0.132 3.967 4.120 -0.036 0.000 0.248 270 V C 2.687 178.870 176.094 0.148 0.000 1.055 270 V CA 2.206 64.612 62.300 0.176 0.000 1.049 270 V CB -0.218 31.731 31.823 0.210 0.000 0.662 270 V HN 0.376 nan 8.190 nan 0.000 0.455 271 E N 0.014 120.281 120.200 0.111 0.000 2.106 271 E HA -0.177 4.152 4.350 -0.036 0.000 0.192 271 E C 2.280 178.857 176.600 -0.038 0.000 0.984 271 E CA 1.049 57.504 56.400 0.092 0.000 0.806 271 E CB -0.128 29.670 29.700 0.163 0.000 0.750 271 E HN 0.494 nan 8.360 nan 0.000 0.458 272 E N -0.073 120.113 120.200 -0.024 0.000 2.106 272 E HA -0.121 4.208 4.350 -0.036 0.000 0.192 272 E C 2.234 178.772 176.600 -0.103 0.000 0.984 272 E CA 0.594 56.933 56.400 -0.101 0.000 0.806 272 E CB -0.169 29.492 29.700 -0.065 0.000 0.750 272 E HN 0.342 nan 8.360 nan 0.000 0.458 273 L N 0.447 121.678 121.223 0.014 0.000 2.083 273 L HA -0.184 4.135 4.340 -0.036 0.000 0.209 273 L C 2.582 179.562 176.870 0.184 0.000 1.083 273 L CA 0.760 55.668 54.840 0.114 0.000 0.752 273 L CB -0.419 41.750 42.059 0.182 0.000 0.899 273 L HN 0.102 nan 8.230 nan 0.000 0.433 274 L N -0.597 120.631 121.223 0.009 0.000 2.017 274 L HA -0.244 4.075 4.340 -0.036 0.000 0.208 274 L C 2.867 179.415 176.870 -0.536 0.000 1.073 274 L CA 1.345 55.923 54.840 -0.437 0.000 0.745 274 L CB -0.487 41.131 42.059 -0.735 0.000 0.894 274 L HN 0.237 nan 8.230 nan 0.000 0.432 275 R N 1.024 121.146 120.500 -0.631 0.000 2.091 275 R HA -0.188 4.130 4.340 -0.036 0.000 0.238 275 R C 2.122 178.183 176.300 -0.399 0.000 1.136 275 R CA 1.998 57.744 56.100 -0.590 0.000 0.959 275 R CB -0.357 29.575 30.300 -0.612 0.000 0.856 275 R HN 0.552 nan 8.270 nan 0.000 0.437 276 I N -0.095 120.286 120.570 -0.315 0.000 3.735 276 I HA 0.096 4.244 4.170 -0.036 0.000 0.310 276 I C -0.250 175.967 176.117 0.166 0.000 1.270 276 I CA -0.499 60.663 61.300 -0.231 0.000 1.207 276 I CB -0.571 37.302 38.000 -0.212 0.000 1.013 276 I HN 0.046 nan 8.210 nan 0.000 0.452 277 N N 1.733 120.502 118.700 0.115 0.000 2.513 277 N HA 0.145 4.864 4.740 -0.036 0.000 0.268 277 N C -0.032 175.609 175.510 0.218 0.000 1.180 277 N CA -0.204 52.973 53.050 0.213 0.000 0.948 277 N CB 0.945 39.609 38.487 0.294 0.000 1.083 277 N HN 0.355 nan 8.380 nan 0.000 0.455 278 L N 1.824 123.165 121.223 0.196 0.000 2.872 278 L HA 0.167 4.486 4.340 -0.036 0.000 0.245 278 L C 1.748 178.712 176.870 0.156 0.000 1.211 278 L CA -0.235 54.687 54.840 0.138 0.000 1.013 278 L CB -0.325 41.752 42.059 0.030 0.000 1.326 278 L HN 0.828 nan 8.230 nan 0.000 0.525 279 S N -0.074 115.763 115.700 0.227 0.000 2.382 279 S HA -0.103 4.346 4.470 -0.036 0.000 0.228 279 S C 0.677 175.358 174.600 0.136 0.000 1.027 279 S CA 0.634 58.960 58.200 0.210 0.000 0.991 279 S CB -0.388 62.964 63.200 0.253 0.000 0.823 279 S HN 0.192 nan 8.310 nan 0.000 0.469 280 F N 2.039 122.007 119.950 0.029 0.000 2.471 280 F HA 0.600 5.104 4.527 -0.039 0.000 0.365 280 F C 1.385 177.184 175.800 -0.002 0.000 1.095 280 F CA -0.584 57.416 58.000 0.001 0.000 1.174 280 F CB 0.765 39.751 39.000 -0.024 0.000 1.105 280 F HN 0.217 nan 8.300 nan 0.000 0.535 281 A N 2.302 125.149 122.820 0.044 0.000 2.072 281 A HA 0.046 4.344 4.320 -0.036 0.000 0.216 281 A C 0.460 178.043 177.584 -0.002 0.000 1.156 281 A CA 0.694 52.748 52.037 0.027 0.000 0.701 281 A CB -0.260 18.757 19.000 0.028 0.000 0.816 281 A HN 0.586 nan 8.150 nan 0.000 0.458 282 D N -1.375 119.037 120.400 0.020 0.000 2.490 282 D HA 0.453 5.072 4.640 -0.036 0.000 0.232 282 D C 0.175 176.490 176.300 0.024 0.000 1.053 282 D CA -0.100 53.889 54.000 -0.019 0.000 0.914 282 D CB 1.398 42.182 40.800 -0.027 0.000 1.431 282 D HN 0.141 nan 8.370 nan 0.000 0.483 283 G N 0.219 109.000 108.800 -0.031 0.000 2.554 283 G HA2 0.297 4.236 3.960 -0.036 0.000 0.238 283 G HA3 0.297 4.236 3.960 -0.036 0.000 0.238 283 G C 0.286 175.191 174.900 0.008 0.000 1.259 283 G CA -0.413 44.677 45.100 -0.016 0.000 0.843 283 G HN 0.360 nan 8.290 nan 0.000 0.582 284 L N 3.338 124.559 121.223 -0.003 0.000 2.410 284 L HA 0.222 4.541 4.340 -0.036 0.000 0.273 284 L C -1.636 175.226 176.870 -0.013 0.000 1.144 284 L CA -1.409 53.430 54.840 -0.001 0.000 0.863 284 L CB 0.956 42.993 42.059 -0.038 0.000 1.140 284 L HN 0.359 nan 8.230 nan 0.000 0.463 285 P HA 0.400 nan 4.420 nan 0.000 0.288 285 P C -1.022 176.281 177.300 0.005 0.000 1.267 285 P CA -0.667 62.429 63.100 -0.007 0.000 0.815 285 P CB 1.695 33.386 31.700 -0.014 0.000 0.989 286 R N 1.656 122.178 120.500 0.037 0.000 2.698 286 R HA 0.561 4.879 4.340 -0.036 0.000 0.275 286 R C -1.096 175.286 176.300 0.137 0.000 1.001 286 R CA -1.106 55.049 56.100 0.092 0.000 0.896 286 R CB 1.597 31.982 30.300 0.140 0.000 1.218 286 R HN 0.423 nan 8.270 nan 0.000 0.462 287 L N 1.363 122.672 121.223 0.143 0.000 2.313 287 L HA 0.598 4.917 4.340 -0.036 0.000 0.283 287 L C -0.201 176.768 176.870 0.165 0.000 1.013 287 L CA -0.339 54.585 54.840 0.141 0.000 0.816 287 L CB 1.736 43.840 42.059 0.074 0.000 1.236 287 L HN 0.842 nan 8.230 nan 0.000 0.419 288 A N 2.287 125.225 122.820 0.196 0.000 2.488 288 A HA 0.397 4.695 4.320 -0.036 0.000 0.249 288 A C 0.952 178.523 177.584 -0.022 0.000 1.083 288 A CA 0.483 52.553 52.037 0.055 0.000 0.768 288 A CB -0.103 18.956 19.000 0.098 0.000 1.017 288 A HN 0.875 nan 8.150 nan 0.000 0.496 289 T N -0.949 113.542 114.554 -0.105 0.000 3.092 289 T HA 0.587 4.915 4.350 -0.036 0.000 0.258 289 T C 0.308 174.955 174.700 -0.090 0.000 1.031 289 T CA 0.535 62.592 62.100 -0.072 0.000 0.925 289 T CB -0.268 68.565 68.868 -0.059 0.000 1.036 289 T HN 1.706 nan 8.240 nan 0.000 0.544 290 A N 0.514 123.255 122.820 -0.131 0.000 2.599 290 A HA 0.622 4.921 4.320 -0.036 0.000 0.290 290 A C -1.888 175.630 177.584 -0.110 0.000 1.101 290 A CA -0.940 51.029 52.037 -0.113 0.000 0.674 290 A CB 0.780 19.699 19.000 -0.136 0.000 1.277 290 A HN 0.173 nan 8.150 nan 0.000 0.419 291 D N 0.880 121.237 120.400 -0.072 0.000 2.317 291 D HA 0.559 5.178 4.640 -0.036 0.000 0.252 291 D C -0.645 175.610 176.300 -0.075 0.000 1.174 291 D CA 0.878 54.848 54.000 -0.051 0.000 0.866 291 D CB 0.579 41.364 40.800 -0.026 0.000 1.127 291 D HN 0.399 nan 8.370 nan 0.000 0.467 292 I N 1.782 122.312 120.570 -0.067 0.000 2.534 292 I HA 0.103 4.252 4.170 -0.036 0.000 0.288 292 I C -0.225 175.900 176.117 0.013 0.000 1.077 292 I CA -1.038 60.230 61.300 -0.054 0.000 1.051 292 I CB 2.185 40.084 38.000 -0.168 0.000 1.234 292 I HN 0.012 nan 8.210 nan 0.000 0.425 293 Q N 4.902 124.702 119.800 0.000 0.000 2.296 293 Q HA 0.422 4.741 4.340 -0.036 0.000 0.262 293 Q C -1.327 174.676 176.000 0.005 0.000 0.981 293 Q CA 0.072 55.863 55.803 -0.019 0.000 0.905 293 Q CB 1.116 29.840 28.738 -0.023 0.000 1.186 293 Q HN 0.485 nan 8.270 nan 0.000 0.399 294 V N 5.464 125.347 119.914 -0.052 0.000 2.419 294 V HA 0.643 4.741 4.120 -0.036 0.000 0.287 294 V C 0.781 176.814 176.094 -0.102 0.000 1.017 294 V CA 0.045 62.305 62.300 -0.066 0.000 0.844 294 V CB 0.483 32.236 31.823 -0.116 0.000 1.011 294 V HN 1.056 nan 8.190 nan 0.000 0.429 295 G N 4.893 113.656 108.800 -0.061 0.000 2.611 295 G HA2 -0.290 3.648 3.960 -0.036 0.000 0.301 295 G HA3 -0.290 3.648 3.960 -0.036 0.000 0.301 295 G C 0.409 175.270 174.900 -0.064 0.000 1.233 295 G CA 0.712 45.780 45.100 -0.053 0.000 0.993 295 G HN 0.625 nan 8.290 nan 0.000 0.553 296 D N 0.391 120.751 120.400 -0.067 0.000 2.349 296 D HA 0.271 4.890 4.640 -0.036 0.000 0.224 296 D C 0.728 176.964 176.300 -0.107 0.000 1.029 296 D CA 0.635 54.597 54.000 -0.062 0.000 0.879 296 D CB 0.361 41.141 40.800 -0.033 0.000 0.906 296 D HN 0.295 nan 8.370 nan 0.000 0.528 297 V N 1.615 121.415 119.914 -0.191 0.000 2.495 297 V HA 0.194 4.293 4.120 -0.036 0.000 0.298 297 V C -0.245 175.677 176.094 -0.286 0.000 1.031 297 V CA -1.015 61.087 62.300 -0.330 0.000 0.871 297 V CB 2.427 33.828 31.823 -0.703 0.000 0.988 297 V HN -0.096 nan 8.190 nan 0.000 0.432 298 L N 7.054 128.150 121.223 -0.211 0.000 2.312 298 L HA 0.423 4.741 4.340 -0.036 0.000 0.287 298 L C -0.050 176.721 176.870 -0.166 0.000 1.091 298 L CA 0.411 55.169 54.840 -0.138 0.000 0.846 298 L CB 0.896 42.918 42.059 -0.062 0.000 1.219 298 L HN 0.466 nan 8.230 nan 0.000 0.439 299 V N 6.093 125.897 119.914 -0.182 0.000 2.572 299 V HA 0.330 4.429 4.120 -0.036 0.000 0.291 299 V C 0.677 176.799 176.094 0.047 0.000 1.039 299 V CA -0.537 61.701 62.300 -0.104 0.000 1.055 299 V CB 0.513 32.339 31.823 0.006 0.000 0.969 299 V HN 0.611 nan 8.190 nan 0.000 0.482 300 R N 3.251 123.832 120.500 0.135 0.000 2.486 300 R HA 0.336 4.654 4.340 -0.036 0.000 0.286 300 R C 0.101 176.457 176.300 0.092 0.000 0.999 300 R CA -0.965 55.194 56.100 0.098 0.000 0.993 300 R CB 0.730 31.099 30.300 0.115 0.000 1.084 300 R HN 0.667 nan 8.270 nan 0.000 0.487 301 K N 0.458 120.882 120.400 0.040 0.000 2.530 301 K HA -0.068 4.231 4.320 -0.036 0.000 0.280 301 K C 0.681 177.311 176.600 0.050 0.000 1.004 301 K CA 1.590 57.892 56.287 0.024 0.000 1.071 301 K CB 0.020 32.521 32.500 0.001 0.000 0.876 301 K HN 0.801 nan 8.250 nan 0.000 0.487 302 G N 2.741 111.573 108.800 0.054 0.000 2.195 302 G HA2 -0.247 3.692 3.960 -0.036 0.000 0.246 302 G HA3 -0.247 3.692 3.960 -0.036 0.000 0.246 302 G C -0.268 174.681 174.900 0.081 0.000 0.984 302 G CA 0.193 45.327 45.100 0.055 0.000 0.633 302 G HN 0.678 nan 8.290 nan 0.000 0.525 303 E N -0.211 120.069 120.200 0.134 0.000 2.349 303 E HA 0.551 4.879 4.350 -0.036 0.000 0.265 303 E C -0.190 176.524 176.600 0.189 0.000 1.064 303 E CA -0.833 55.672 56.400 0.175 0.000 0.886 303 E CB 1.701 31.591 29.700 0.316 0.000 1.036 303 E HN 0.199 nan 8.360 nan 0.000 0.413 304 L N 2.849 124.151 121.223 0.132 0.000 2.305 304 L HA 0.261 4.579 4.340 -0.036 0.000 0.281 304 L C -1.106 175.862 176.870 0.164 0.000 1.085 304 L CA -0.292 54.614 54.840 0.109 0.000 0.813 304 L CB 1.268 43.342 42.059 0.026 0.000 1.157 304 L HN 0.229 nan 8.230 nan 0.000 0.436 305 V N 6.304 126.307 119.914 0.148 0.000 2.604 305 V HA 0.483 4.582 4.120 -0.036 0.000 0.305 305 V C -0.297 175.813 176.094 0.025 0.000 1.043 305 V CA -0.651 61.715 62.300 0.110 0.000 0.888 305 V CB 1.776 33.599 31.823 -0.001 0.000 0.995 305 V HN 0.583 nan 8.190 nan 0.000 0.429 306 L N 4.654 125.885 121.223 0.013 0.000 2.319 306 L HA 0.563 4.881 4.340 -0.036 0.000 0.281 306 L C -0.662 176.188 176.870 -0.034 0.000 1.005 306 L CA -0.768 54.062 54.840 -0.018 0.000 0.828 306 L CB 1.984 44.026 42.059 -0.029 0.000 1.227 306 L HN 0.357 nan 8.230 nan 0.000 0.415 307 V N 4.711 124.594 119.914 -0.051 0.000 2.353 307 V HA 0.158 4.257 4.120 -0.036 0.000 0.264 307 V C 0.122 176.190 176.094 -0.043 0.000 1.049 307 V CA -0.377 61.884 62.300 -0.064 0.000 0.896 307 V CB 1.434 33.204 31.823 -0.089 0.000 1.025 307 V HN 0.439 nan 8.190 nan 0.000 0.475 308 L N 6.206 127.417 121.223 -0.021 0.000 2.363 308 L HA 0.289 4.607 4.340 -0.036 0.000 0.286 308 L C 1.076 177.958 176.870 0.020 0.000 1.106 308 L CA 0.613 55.454 54.840 0.003 0.000 0.859 308 L CB 0.394 42.471 42.059 0.030 0.000 1.223 308 L HN 0.562 nan 8.230 nan 0.000 0.446 309 L N 3.517 124.743 121.223 0.004 0.000 2.046 309 L HA -0.155 4.163 4.340 -0.036 0.000 0.208 309 L C 2.240 179.174 176.870 0.107 0.000 1.077 309 L CA 1.337 56.181 54.840 0.007 0.000 0.747 309 L CB -0.509 41.505 42.059 -0.075 0.000 0.896 309 L HN 0.766 nan 8.230 nan 0.000 0.432 310 E N 0.624 120.906 120.200 0.137 0.000 2.274 310 E HA -0.122 4.207 4.350 -0.036 0.000 0.194 310 E C 2.010 178.766 176.600 0.259 0.000 0.996 310 E CA 1.162 57.714 56.400 0.253 0.000 0.840 310 E CB -0.402 29.366 29.700 0.113 0.000 0.772 310 E HN 0.410 nan 8.360 nan 0.000 0.491 311 G N 1.942 110.841 108.800 0.164 0.000 2.480 311 G HA2 -0.264 3.675 3.960 -0.036 0.000 0.216 311 G HA3 -0.264 3.675 3.960 -0.036 0.000 0.216 311 G C 1.827 176.862 174.900 0.225 0.000 1.200 311 G CA 1.814 47.014 45.100 0.167 0.000 0.782 311 G HN 0.479 nan 8.290 nan 0.000 0.554 312 A N 1.040 123.979 122.820 0.198 0.000 1.877 312 A HA -0.084 4.215 4.320 -0.036 0.000 0.216 312 A C 2.238 180.103 177.584 0.469 0.000 1.186 312 A CA 1.941 54.138 52.037 0.266 0.000 0.620 312 A CB -0.426 18.621 19.000 0.078 0.000 0.822 312 A HN 0.356 nan 8.150 nan 0.000 0.443 313 N N -1.312 117.638 118.700 0.417 0.000 2.457 313 N HA 0.021 4.740 4.740 -0.036 0.000 0.180 313 N C 0.288 175.949 175.510 0.253 0.000 1.050 313 N CA 0.781 54.063 53.050 0.387 0.000 0.906 313 N CB -0.236 38.352 38.487 0.170 0.000 0.968 313 N HN 0.480 nan 8.380 nan 0.000 0.445 314 F N 0.365 120.448 119.950 0.220 0.000 2.647 314 F HA 0.188 4.694 4.527 -0.035 0.000 0.300 314 F C 0.597 176.518 175.800 0.202 0.000 1.106 314 F CA -0.897 57.207 58.000 0.173 0.000 1.313 314 F CB 0.203 39.262 39.000 0.099 0.000 1.007 314 F HN -0.233 nan 8.300 nan 0.000 0.536 315 D N 2.902 123.542 120.400 0.401 0.000 2.338 315 D HA 0.061 4.680 4.640 -0.036 0.000 0.255 315 D C -1.526 174.907 176.300 0.222 0.000 1.237 315 D CA -2.081 52.086 54.000 0.280 0.000 0.883 315 D CB 1.410 42.373 40.800 0.271 0.000 1.087 315 D HN 0.044 nan 8.370 nan 0.000 0.485 316 P HA -0.084 nan 4.420 nan 0.000 0.226 316 P C 0.852 178.183 177.300 0.053 0.000 1.153 316 P CA 0.487 63.657 63.100 0.116 0.000 0.777 316 P CB 0.429 32.186 31.700 0.095 0.000 0.794 317 E N -1.326 118.900 120.200 0.044 0.000 2.274 317 E HA -0.164 4.165 4.350 -0.036 0.000 0.194 317 E C 1.843 178.389 176.600 -0.090 0.000 0.996 317 E CA 1.025 57.421 56.400 -0.006 0.000 0.840 317 E CB -1.013 28.699 29.700 0.021 0.000 0.772 317 E HN 0.609 nan 8.360 nan 0.000 0.491 318 H N -1.944 116.968 119.070 -0.264 0.000 2.545 318 H HA 0.338 4.873 4.556 -0.035 0.000 0.283 318 H C -0.111 174.822 175.328 -0.658 0.000 0.997 318 H CA 0.348 56.022 56.048 -0.623 0.000 1.269 318 H CB 0.561 29.630 29.762 -1.156 0.000 1.451 318 H HN 0.212 nan 8.280 nan 0.000 0.508 319 F N 2.069 121.980 119.950 -0.065 0.000 2.564 319 F HA 0.357 4.862 4.527 -0.037 0.000 0.368 319 F C -2.441 173.333 175.800 -0.044 0.000 1.127 319 F CA -2.620 55.340 58.000 -0.066 0.000 1.170 319 F CB 1.387 40.380 39.000 -0.011 0.000 1.397 319 F HN -0.004 nan 8.300 nan 0.000 0.493 320 P HA -0.066 nan 4.420 nan 0.000 0.267 320 P C 0.106 177.445 177.300 0.066 0.000 1.200 320 P CA 0.326 63.460 63.100 0.056 0.000 0.772 320 P CB 0.440 32.148 31.700 0.013 0.000 0.855 321 N N 2.280 121.015 118.700 0.058 0.000 2.696 321 N HA -0.138 4.581 4.740 -0.036 0.000 0.256 321 N C -1.382 174.155 175.510 0.046 0.000 1.031 321 N CA 0.285 53.365 53.050 0.051 0.000 0.730 321 N CB -0.709 37.798 38.487 0.033 0.000 0.894 321 N HN 0.289 nan 8.380 nan 0.000 0.544 322 P HA -0.036 nan 4.420 nan 0.000 0.220 322 P C 1.363 178.602 177.300 -0.101 0.000 1.148 322 P CA 1.580 64.687 63.100 0.011 0.000 0.803 322 P CB -0.198 31.583 31.700 0.135 0.000 0.782 323 G N -0.681 108.160 108.800 0.069 0.000 2.744 323 G HA2 -0.018 3.920 3.960 -0.036 0.000 0.211 323 G HA3 -0.018 3.920 3.960 -0.036 0.000 0.211 323 G C 0.475 175.393 174.900 0.030 0.000 1.143 323 G CA 0.097 45.269 45.100 0.121 0.000 0.788 323 G HN 0.234 nan 8.290 nan 0.000 0.534 324 S N -0.085 115.609 115.700 -0.010 0.000 2.508 324 S HA 0.473 4.921 4.470 -0.036 0.000 0.284 324 S C -0.052 174.517 174.600 -0.051 0.000 1.192 324 S CA -0.467 57.725 58.200 -0.013 0.000 1.070 324 S CB 1.659 64.861 63.200 0.004 0.000 1.004 324 S HN 0.129 nan 8.310 nan 0.000 0.493 325 I N 3.369 123.916 120.570 -0.037 0.000 2.363 325 I HA 0.157 4.306 4.170 -0.036 0.000 0.292 325 I C 0.222 176.325 176.117 -0.023 0.000 1.075 325 I CA 0.294 61.568 61.300 -0.044 0.000 1.333 325 I CB 0.345 38.331 38.000 -0.023 0.000 1.415 325 I HN 0.562 nan 8.210 nan 0.000 0.502 326 E N 6.840 127.024 120.200 -0.027 0.000 2.218 326 E HA 0.295 4.624 4.350 -0.036 0.000 0.263 326 E C 0.086 176.687 176.600 0.001 0.000 0.879 326 E CA -0.511 55.886 56.400 -0.006 0.000 0.762 326 E CB 2.158 31.858 29.700 -0.001 0.000 1.166 326 E HN 0.584 nan 8.360 nan 0.000 0.415 327 L N 1.985 123.215 121.223 0.011 0.000 2.591 327 L HA 0.034 4.353 4.340 -0.036 0.000 0.228 327 L C 0.630 177.516 176.870 0.026 0.000 1.133 327 L CA 0.393 55.245 54.840 0.020 0.000 0.880 327 L CB -0.224 41.848 42.059 0.022 0.000 1.033 327 L HN 0.473 nan 8.230 nan 0.000 0.450 328 D N -1.131 119.283 120.400 0.023 0.000 2.696 328 D HA 0.064 4.683 4.640 -0.036 0.000 0.269 328 D C 0.441 176.757 176.300 0.027 0.000 1.319 328 D CA -0.425 53.590 54.000 0.024 0.000 0.826 328 D CB 0.104 40.914 40.800 0.018 0.000 1.086 328 D HN 0.043 nan 8.370 nan 0.000 0.481 329 R N 1.289 121.812 120.500 0.038 0.000 2.643 329 R HA 0.213 4.531 4.340 -0.036 0.000 0.270 329 R C -1.293 175.035 176.300 0.047 0.000 1.061 329 R CA -0.965 55.166 56.100 0.051 0.000 1.107 329 R CB 0.513 30.869 30.300 0.093 0.000 0.999 329 R HN 0.045 nan 8.270 nan 0.000 0.460 330 P HA -0.061 nan 4.420 nan 0.000 0.236 330 P C -0.566 176.745 177.300 0.019 0.000 1.177 330 P CA 1.047 64.153 63.100 0.010 0.000 0.773 330 P CB 0.039 31.726 31.700 -0.022 0.000 0.878 331 N N -0.975 117.756 118.700 0.052 0.000 2.610 331 N HA 0.196 4.914 4.740 -0.036 0.000 0.307 331 N C -1.846 173.810 175.510 0.243 0.000 1.813 331 N CA -1.465 51.637 53.050 0.087 0.000 0.901 331 N CB 0.556 39.007 38.487 -0.060 0.000 1.354 331 N HN -0.053 nan 8.380 nan 0.000 0.491 332 P HA -0.124 nan 4.420 nan 0.000 0.219 332 P C 1.204 178.663 177.300 0.264 0.000 1.150 332 P CA 1.480 64.709 63.100 0.216 0.000 0.814 332 P CB 0.101 31.883 31.700 0.136 0.000 0.787 333 T N -3.645 111.016 114.554 0.179 0.000 3.122 333 T HA 0.081 4.409 4.350 -0.036 0.000 0.250 333 T C 1.503 176.148 174.700 -0.091 0.000 1.067 333 T CA 0.432 62.564 62.100 0.054 0.000 0.966 333 T CB -0.931 67.980 68.868 0.071 0.000 1.002 333 T HN 0.123 nan 8.240 nan 0.000 0.542 334 S N 1.030 116.824 115.700 0.156 0.000 2.603 334 S HA 0.046 4.495 4.470 -0.036 0.000 0.220 334 S C 0.677 175.516 174.600 0.397 0.000 0.967 334 S CA -0.544 57.802 58.200 0.243 0.000 0.920 334 S CB -1.090 62.318 63.200 0.345 0.000 0.773 334 S HN 0.901 nan 8.310 nan 0.000 0.529 335 H N 0.462 119.863 119.070 0.553 0.000 2.730 335 H HA 0.410 4.944 4.556 -0.036 0.000 0.376 335 H C 0.549 176.026 175.328 0.248 0.000 1.299 335 H CA -0.716 55.606 56.048 0.457 0.000 1.447 335 H CB 0.211 30.047 29.762 0.123 0.000 1.493 335 H HN 0.135 nan 8.280 nan 0.000 0.619 336 L N 0.920 122.341 121.223 0.330 0.000 2.872 336 L HA 0.323 4.641 4.340 -0.036 0.000 0.245 336 L C 1.843 178.749 176.870 0.060 0.000 1.211 336 L CA 0.246 55.168 54.840 0.137 0.000 1.013 336 L CB -0.231 41.827 42.059 -0.002 0.000 1.326 336 L HN 0.891 nan 8.230 nan 0.000 0.525 337 A N 0.189 123.105 122.820 0.160 0.000 2.019 337 A HA -0.125 4.173 4.320 -0.036 0.000 0.219 337 A C 1.467 178.737 177.584 -0.523 0.000 1.164 337 A CA 1.521 53.374 52.037 -0.306 0.000 0.644 337 A CB -0.370 18.246 19.000 -0.640 0.000 0.805 337 A HN 0.396 nan 8.150 nan 0.000 0.449 338 F N -0.514 119.363 119.950 -0.122 0.000 2.639 338 F HA 0.440 4.945 4.527 -0.036 0.000 0.300 338 F C 1.573 177.117 175.800 -0.426 0.000 1.109 338 F CA 0.070 57.840 58.000 -0.384 0.000 1.335 338 F CB -0.353 38.289 39.000 -0.597 0.000 1.014 338 F HN 0.442 nan 8.300 nan 0.000 0.537 339 G N 1.174 109.914 108.800 -0.100 0.000 2.593 339 G HA2 -0.117 3.821 3.960 -0.036 0.000 0.237 339 G HA3 -0.117 3.821 3.960 -0.036 0.000 0.237 339 G C -0.675 174.348 174.900 0.205 0.000 1.312 339 G CA -0.303 44.784 45.100 -0.021 0.000 0.896 339 G HN 0.519 nan 8.290 nan 0.000 0.574 340 R N -0.985 119.651 120.500 0.227 0.000 2.728 340 R HA 0.667 4.985 4.340 -0.036 0.000 0.259 340 R C 0.629 177.023 176.300 0.157 0.000 1.057 340 R CA 1.635 57.872 56.100 0.228 0.000 0.908 340 R CB 0.757 31.095 30.300 0.063 0.000 1.259 340 R HN 2.911 nan 8.270 nan 0.000 0.472 341 G N 2.322 111.184 108.800 0.102 0.000 2.512 341 G HA2 -0.352 3.586 3.960 -0.036 0.000 0.240 341 G HA3 -0.352 3.586 3.960 -0.036 0.000 0.240 341 G C 0.379 175.303 174.900 0.040 0.000 1.246 341 G CA 0.567 45.695 45.100 0.047 0.000 0.919 341 G HN 0.755 nan 8.290 nan 0.000 0.577 342 Q N -0.847 118.928 119.800 -0.041 0.000 2.152 342 Q HA -0.124 4.195 4.340 -0.036 0.000 0.206 342 Q C 1.930 177.748 176.000 -0.304 0.000 0.985 342 Q CA 2.759 58.434 55.803 -0.214 0.000 0.863 342 Q CB -0.255 28.270 28.738 -0.356 0.000 0.904 342 Q HN 0.732 nan 8.270 nan 0.000 0.422 343 H N -1.240 117.894 119.070 0.107 0.000 2.487 343 H HA 0.109 4.645 4.556 -0.033 0.000 0.290 343 H C -0.651 174.741 175.328 0.106 0.000 1.081 343 H CA -0.495 55.610 56.048 0.094 0.000 1.116 343 H CB -0.524 29.273 29.762 0.059 0.000 1.560 343 H HN 0.198 nan 8.280 nan 0.000 0.548 344 F N 2.097 122.088 119.950 0.068 0.000 2.623 344 F HA -0.099 4.407 4.527 -0.036 0.000 0.386 344 F C 0.910 176.748 175.800 0.064 0.000 1.068 344 F CA -0.355 57.680 58.000 0.058 0.000 1.265 344 F CB 0.409 39.422 39.000 0.022 0.000 1.026 344 F HN 0.166 nan 8.300 nan 0.000 0.568 345 C N 10.382 129.303 119.300 -0.632 0.000 2.517 345 C HA 0.081 4.519 4.460 -0.036 0.000 0.403 345 C C -0.697 174.150 174.990 -0.238 0.000 1.467 345 C CA -1.053 57.745 59.018 -0.368 0.000 1.542 345 C CB -0.376 27.156 27.740 -0.346 0.000 2.482 345 C HN 0.779 nan 8.230 nan 0.000 0.610 346 P HA 0.107 nan 4.420 nan 0.000 0.241 346 P C 0.949 178.284 177.300 0.059 0.000 1.191 346 P CA 1.282 64.438 63.100 0.093 0.000 0.771 346 P CB 0.033 31.868 31.700 0.225 0.000 0.929 347 G N 0.452 109.240 108.800 -0.021 0.000 3.434 347 G HA2 0.027 3.966 3.960 -0.036 0.000 0.258 347 G HA3 0.027 3.966 3.960 -0.036 0.000 0.258 347 G C 1.405 176.205 174.900 -0.166 0.000 1.128 347 G CA 0.437 45.530 45.100 -0.012 0.000 0.792 347 G HN 0.331 nan 8.290 nan 0.000 0.539 348 S N 0.975 116.421 115.700 -0.422 0.000 2.359 348 S HA -0.066 4.383 4.470 -0.036 0.000 0.224 348 S C 2.591 176.906 174.600 -0.474 0.000 1.035 348 S CA 1.475 59.074 58.200 -1.002 0.000 1.018 348 S CB -0.436 61.937 63.200 -1.379 0.000 0.876 348 S HN 0.467 nan 8.310 nan 0.000 0.448 349 A N 1.658 124.358 122.820 -0.199 0.000 1.902 349 A HA 0.101 4.399 4.320 -0.036 0.000 0.217 349 A C 2.266 179.853 177.584 0.006 0.000 1.181 349 A CA 1.548 53.553 52.037 -0.054 0.000 0.623 349 A CB -0.888 18.106 19.000 -0.011 0.000 0.818 349 A HN 0.530 nan 8.150 nan 0.000 0.443 350 L N 0.031 121.259 121.223 0.007 0.000 2.056 350 L HA 0.012 4.330 4.340 -0.036 0.000 0.207 350 L C 2.404 179.342 176.870 0.114 0.000 1.078 350 L CA 2.183 57.054 54.840 0.051 0.000 0.749 350 L CB -0.970 41.108 42.059 0.031 0.000 0.901 350 L HN 0.303 nan 8.230 nan 0.000 0.433 351 G N -0.900 107.968 108.800 0.113 0.000 2.418 351 G HA2 -0.254 3.684 3.960 -0.036 0.000 0.217 351 G HA3 -0.254 3.684 3.960 -0.036 0.000 0.217 351 G C 1.753 176.833 174.900 0.301 0.000 1.158 351 G CA 0.743 45.978 45.100 0.225 0.000 0.771 351 G HN 0.362 nan 8.290 nan 0.000 0.545 352 R N -0.446 120.203 120.500 0.249 0.000 2.083 352 R HA -0.071 4.247 4.340 -0.036 0.000 0.237 352 R C 2.869 179.300 176.300 0.219 0.000 1.137 352 R CA 1.381 57.633 56.100 0.254 0.000 0.951 352 R CB -0.326 30.093 30.300 0.198 0.000 0.851 352 R HN 0.269 nan 8.270 nan 0.000 0.434 353 R N -0.009 120.594 120.500 0.172 0.000 2.092 353 R HA -0.116 4.202 4.340 -0.036 0.000 0.231 353 R C 2.277 178.672 176.300 0.159 0.000 1.119 353 R CA 1.755 57.939 56.100 0.140 0.000 0.970 353 R CB -1.122 29.241 30.300 0.106 0.000 0.864 353 R HN 0.553 nan 8.270 nan 0.000 0.440 354 H N -0.186 118.946 119.070 0.104 0.000 2.319 354 H HA -0.056 4.479 4.556 -0.035 0.000 0.299 354 H C 1.940 177.329 175.328 0.102 0.000 1.092 354 H CA 2.201 58.303 56.048 0.089 0.000 1.302 354 H CB -0.366 29.460 29.762 0.107 0.000 1.373 354 H HN 0.439 nan 8.280 nan 0.000 0.497 355 A N 0.839 123.802 122.820 0.238 0.000 1.898 355 A HA -0.155 4.144 4.320 -0.036 0.000 0.216 355 A C 2.504 180.143 177.584 0.092 0.000 1.181 355 A CA 1.376 53.522 52.037 0.181 0.000 0.620 355 A CB -0.534 18.744 19.000 0.464 0.000 0.819 355 A HN 0.579 nan 8.150 nan 0.000 0.442 356 Q N -0.433 119.441 119.800 0.123 0.000 2.061 356 Q HA -0.127 4.191 4.340 -0.036 0.000 0.204 356 Q C 2.002 178.027 176.000 0.042 0.000 0.984 356 Q CA 1.767 57.622 55.803 0.087 0.000 0.846 356 Q CB -0.329 28.466 28.738 0.096 0.000 0.902 356 Q HN 0.734 nan 8.270 nan 0.000 0.421 357 I N 0.052 120.632 120.570 0.018 0.000 2.286 357 I HA -0.162 3.986 4.170 -0.036 0.000 0.245 357 I C 2.320 178.426 176.117 -0.017 0.000 1.104 357 I CA 0.998 62.296 61.300 -0.003 0.000 1.397 357 I CB -0.555 37.438 38.000 -0.010 0.000 1.072 357 I HN 0.287 nan 8.210 nan 0.000 0.417 358 G N 1.230 109.980 108.800 -0.084 0.000 2.446 358 G HA2 -0.212 3.726 3.960 -0.036 0.000 0.217 358 G HA3 -0.212 3.726 3.960 -0.036 0.000 0.217 358 G C 1.700 176.679 174.900 0.131 0.000 1.168 358 G CA 0.717 45.808 45.100 -0.014 0.000 0.771 358 G HN 0.304 nan 8.290 nan 0.000 0.551 359 I N 0.276 120.881 120.570 0.058 0.000 2.252 359 I HA -0.112 4.037 4.170 -0.036 0.000 0.245 359 I C 2.653 178.792 176.117 0.036 0.000 1.102 359 I CA 1.371 62.701 61.300 0.051 0.000 1.385 359 I CB -0.206 37.817 38.000 0.039 0.000 1.064 359 I HN 0.292 nan 8.210 nan 0.000 0.414 360 E N 1.233 121.453 120.200 0.034 0.000 2.058 360 E HA -0.271 4.057 4.350 -0.036 0.000 0.194 360 E C 2.264 178.872 176.600 0.014 0.000 0.997 360 E CA 1.506 57.921 56.400 0.025 0.000 0.801 360 E CB -0.043 29.669 29.700 0.020 0.000 0.746 360 E HN 0.487 nan 8.360 nan 0.000 0.450 361 A N 0.941 123.771 122.820 0.017 0.000 1.877 361 A HA -0.162 4.136 4.320 -0.036 0.000 0.216 361 A C 2.155 179.698 177.584 -0.070 0.000 1.186 361 A CA 1.362 53.395 52.037 -0.007 0.000 0.620 361 A CB -0.714 18.304 19.000 0.031 0.000 0.822 361 A HN 0.392 nan 8.150 nan 0.000 0.443 362 L N -0.131 121.037 121.223 -0.093 0.000 2.017 362 L HA -0.117 4.202 4.340 -0.036 0.000 0.208 362 L C 2.263 179.040 176.870 -0.155 0.000 1.073 362 L CA 1.765 56.461 54.840 -0.240 0.000 0.745 362 L CB -0.424 41.478 42.059 -0.261 0.000 0.894 362 L HN 0.399 nan 8.230 nan 0.000 0.432 363 L N -0.529 120.662 121.223 -0.053 0.000 2.131 363 L HA -0.217 4.101 4.340 -0.036 0.000 0.210 363 L C 2.638 179.558 176.870 0.083 0.000 1.092 363 L CA 1.590 56.438 54.840 0.014 0.000 0.759 363 L CB -0.623 41.490 42.059 0.091 0.000 0.903 363 L HN 0.349 nan 8.230 nan 0.000 0.435 364 K N 0.148 120.582 120.400 0.057 0.000 2.057 364 K HA -0.138 4.160 4.320 -0.036 0.000 0.206 364 K C 2.147 178.742 176.600 -0.008 0.000 1.050 364 K CA 1.016 57.343 56.287 0.067 0.000 0.935 364 K CB 0.221 32.732 32.500 0.018 0.000 0.715 364 K HN 0.074 nan 8.250 nan 0.000 0.439 365 K N -0.282 120.060 120.400 -0.096 0.000 2.186 365 K HA 0.044 4.343 4.320 -0.036 0.000 0.202 365 K C 0.700 177.165 176.600 -0.226 0.000 1.052 365 K CA 0.838 57.025 56.287 -0.167 0.000 0.965 365 K CB 0.353 32.707 32.500 -0.244 0.000 0.746 365 K HN 0.247 nan 8.250 nan 0.000 0.457 366 M N 1.490 120.948 119.600 -0.236 0.000 3.053 366 M HA 0.140 4.599 4.480 -0.036 0.000 0.293 366 M C -2.047 174.173 176.300 -0.133 0.000 1.470 366 M CA -1.231 53.931 55.300 -0.231 0.000 0.582 366 M CB 1.769 34.138 32.600 -0.386 0.000 1.435 366 M HN -0.212 nan 8.290 nan 0.000 0.451 367 P HA -0.077 nan 4.420 nan 0.000 0.222 367 P C 1.172 178.362 177.300 -0.183 0.000 1.147 367 P CA 1.279 64.198 63.100 -0.301 0.000 0.790 367 P CB 0.123 31.484 31.700 -0.566 0.000 0.780 368 G N 0.213 108.978 108.800 -0.060 0.000 3.181 368 G HA2 0.063 4.001 3.960 -0.036 0.000 0.219 368 G HA3 0.063 4.001 3.960 -0.036 0.000 0.219 368 G C 0.302 175.234 174.900 0.053 0.000 1.182 368 G CA -0.186 44.913 45.100 -0.001 0.000 0.791 368 G HN 0.258 nan 8.290 nan 0.000 0.537 369 V N 0.766 120.712 119.914 0.053 0.000 2.644 369 V HA 0.291 4.390 4.120 -0.036 0.000 0.305 369 V C -0.558 175.565 176.094 0.049 0.000 1.053 369 V CA 0.401 62.752 62.300 0.085 0.000 1.186 369 V CB 1.291 33.121 31.823 0.011 0.000 0.895 369 V HN 0.313 nan 8.190 nan 0.000 0.490 370 D N 3.904 124.342 120.400 0.063 0.000 2.609 370 D HA 0.356 4.975 4.640 -0.036 0.000 0.239 370 D C -0.677 175.643 176.300 0.033 0.000 1.229 370 D CA -0.596 53.423 54.000 0.031 0.000 0.808 370 D CB 1.533 42.340 40.800 0.012 0.000 1.448 370 D HN 0.540 nan 8.370 nan 0.000 0.433 371 L N 1.240 122.476 121.223 0.022 0.000 2.514 371 L HA 0.334 4.652 4.340 -0.036 0.000 0.280 371 L C 1.292 178.162 176.870 0.001 0.000 1.223 371 L CA 0.023 54.873 54.840 0.016 0.000 0.864 371 L CB 0.675 42.745 42.059 0.018 0.000 1.118 371 L HN 0.614 nan 8.230 nan 0.000 0.494 372 A N 3.233 126.049 122.820 -0.006 0.000 2.348 372 A HA 0.362 4.661 4.320 -0.036 0.000 0.224 372 A C 0.238 177.807 177.584 -0.025 0.000 1.227 372 A CA 0.158 52.178 52.037 -0.028 0.000 0.885 372 A CB 0.153 19.128 19.000 -0.041 0.000 0.933 372 A HN 0.500 nan 8.150 nan 0.000 0.506 373 V N -4.167 115.739 119.914 -0.014 0.000 3.040 373 V HA 0.678 4.777 4.120 -0.036 0.000 0.312 373 V C -3.336 172.759 176.094 0.001 0.000 1.115 373 V CA -2.843 59.451 62.300 -0.011 0.000 0.998 373 V CB 1.296 33.110 31.823 -0.015 0.000 1.042 373 V HN 0.023 nan 8.190 nan 0.000 0.433 374 P HA 0.264 nan 4.420 nan 0.000 0.266 374 P C 0.922 178.242 177.300 0.034 0.000 1.195 374 P CA 0.118 63.229 63.100 0.018 0.000 0.768 374 P CB 0.630 32.340 31.700 0.017 0.000 0.838 375 I N 1.762 122.362 120.570 0.050 0.000 2.335 375 I HA -0.273 3.875 4.170 -0.036 0.000 0.251 375 I C 0.993 177.179 176.117 0.115 0.000 1.129 375 I CA 1.715 63.065 61.300 0.083 0.000 1.402 375 I CB 0.010 38.067 38.000 0.095 0.000 1.069 375 I HN 0.258 nan 8.210 nan 0.000 0.424 376 D N 0.440 120.895 120.400 0.092 0.000 2.310 376 D HA -0.153 4.466 4.640 -0.036 0.000 0.212 376 D C 1.950 178.308 176.300 0.097 0.000 0.965 376 D CA 0.659 54.724 54.000 0.108 0.000 0.879 376 D CB -0.116 40.727 40.800 0.071 0.000 0.921 376 D HN 0.424 nan 8.370 nan 0.000 0.510 377 Q N -0.103 119.731 119.800 0.057 0.000 2.435 377 Q HA 0.078 4.396 4.340 -0.036 0.000 0.207 377 Q C 0.700 176.695 176.000 -0.010 0.000 0.956 377 Q CA 0.052 55.869 55.803 0.024 0.000 0.917 377 Q CB 0.196 28.937 28.738 0.005 0.000 0.997 377 Q HN 0.385 nan 8.270 nan 0.000 0.497 378 L N 0.941 122.154 121.223 -0.017 0.000 2.485 378 L HA 0.055 4.373 4.340 -0.036 0.000 0.275 378 L C 0.097 176.823 176.870 -0.239 0.000 1.207 378 L CA -0.210 54.517 54.840 -0.189 0.000 0.855 378 L CB 0.424 42.308 42.059 -0.291 0.000 1.114 378 L HN -0.211 nan 8.230 nan 0.000 0.485 379 V N 2.219 121.928 119.914 -0.341 0.000 2.333 379 V HA 0.185 4.284 4.120 -0.036 0.000 0.274 379 V C -0.552 175.341 176.094 -0.336 0.000 1.028 379 V CA -0.480 61.695 62.300 -0.207 0.000 0.851 379 V CB 0.800 32.545 31.823 -0.129 0.000 1.000 379 V HN 0.549 nan 8.190 nan 0.000 0.456 380 W N 4.385 125.679 121.300 -0.009 0.000 2.331 380 W HA 0.514 5.153 4.660 -0.037 0.000 0.306 380 W C 0.801 177.308 176.519 -0.019 0.000 1.162 380 W CA -0.539 56.801 57.345 -0.008 0.000 1.232 380 W CB 0.611 30.076 29.460 0.008 0.000 1.235 380 W HN 0.428 nan 8.180 nan 0.000 0.479 381 R N 2.509 123.086 120.500 0.129 0.000 2.522 381 R HA 0.106 4.424 4.340 -0.036 0.000 0.284 381 R C 0.414 176.787 176.300 0.121 0.000 1.032 381 R CA 0.377 56.494 56.100 0.029 0.000 1.049 381 R CB 0.381 30.591 30.300 -0.150 0.000 0.956 381 R HN 0.562 nan 8.270 nan 0.000 0.422 382 T N 1.494 116.103 114.554 0.091 0.000 2.944 382 T HA 0.335 4.663 4.350 -0.036 0.000 0.284 382 T C -0.009 174.773 174.700 0.136 0.000 1.010 382 T CA -0.964 61.203 62.100 0.112 0.000 1.025 382 T CB 1.211 70.128 68.868 0.081 0.000 1.079 382 T HN 0.783 nan 8.240 nan 0.000 0.516 383 R N -0.336 120.238 120.500 0.123 0.000 3.333 383 R HA -0.158 4.160 4.340 -0.036 0.000 0.256 383 R C -1.137 175.283 176.300 0.199 0.000 1.010 383 R CA 0.235 56.402 56.100 0.113 0.000 0.680 383 R CB -2.043 28.303 30.300 0.076 0.000 1.102 383 R HN 0.612 nan 8.270 nan 0.000 0.440 384 F N -0.730 119.226 119.950 0.009 0.000 2.588 384 F HA 0.214 4.720 4.527 -0.035 0.000 0.314 384 F C 1.382 177.180 175.800 -0.002 0.000 1.069 384 F CA -0.980 57.028 58.000 0.013 0.000 0.931 384 F CB 1.596 40.610 39.000 0.024 0.000 1.260 384 F HN -0.118 nan 8.300 nan 0.000 0.465 385 Q N 1.777 121.283 119.800 -0.490 0.000 2.297 385 Q HA 0.066 4.385 4.340 -0.036 0.000 0.204 385 Q C -0.626 175.199 176.000 -0.292 0.000 0.962 385 Q CA 0.747 56.349 55.803 -0.336 0.000 0.879 385 Q CB 0.234 28.769 28.738 -0.338 0.000 0.947 385 Q HN 0.213 nan 8.270 nan 0.000 0.462 386 L N 0.015 121.137 121.223 -0.169 0.000 2.319 386 L HA 0.451 4.770 4.340 -0.036 0.000 0.267 386 L C -0.174 176.845 176.870 0.248 0.000 1.011 386 L CA -0.541 54.293 54.840 -0.009 0.000 0.818 386 L CB 1.648 43.696 42.059 -0.019 0.000 1.316 386 L HN -0.006 nan 8.230 nan 0.000 0.432 387 R N 2.751 123.369 120.500 0.195 0.000 2.255 387 R HA 0.785 5.104 4.340 -0.036 0.000 0.326 387 R C -0.725 175.811 176.300 0.394 0.000 0.986 387 R CA -0.398 55.877 56.100 0.293 0.000 0.847 387 R CB 1.375 31.783 30.300 0.180 0.000 1.111 387 R HN 0.632 nan 8.270 nan 0.000 0.452 388 I N 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