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 2rfq_1_B DATA FIRST_RESID 3 DATA SEQUENCE DHDSHEVXQR LDALLPTLRE RAQETEDLRR IPDDSXKALQ ETGFFRLLQP DATA SEQUENCE EQWGGYQADP VLFYSAVRKI ASACGSTGWV SSIIGVHNWH LALFSQQAQE DATA SEQUENCE DVWGNDTDVR ISSSYAPXGA GQVVDGGYTV NGAWAWSSGC DHASWAVLGG DATA SEQUENCE PVIKDGRPVD FVSFLIPRED YRIDDVWNVV GLRGTGSNTV VVEDVFVPTH DATA SEQUENCE RVLSFKAXSN LTAPGLERNT APVYKXPWGT IHPTTISAPI VGXAYGAYDA DATA SEQUENCE HVEHQGKRVR AAFAXXKAKD DPFAKVRIAE ASSDIDAAWR QLSGNVADEY DATA SEQUENCE ALLVAGEEVP FELRLRARRD QVRATGRAIS SIDKLFESSG ATALANGTPL DATA SEQUENCE QRFWRDAHAG RVHAANDPER AYVXYGTGEF GLPITDTXV 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.241 176.300 -0.099 0.000 2.045 3 D CA 0.000 53.924 54.000 -0.126 0.000 0.868 3 D CB 0.000 40.773 40.800 -0.046 0.000 0.688 4 H N 0.540 119.637 119.070 0.046 0.000 2.421 4 H HA -0.059 4.501 4.556 0.006 0.000 0.298 4 H C 0.715 176.063 175.328 0.034 0.000 1.087 4 H CA 1.370 57.440 56.048 0.037 0.000 1.330 4 H CB 0.123 29.897 29.762 0.020 0.000 1.388 4 H HN 0.450 nan 8.280 nan 0.000 0.526 5 D N 0.308 120.777 120.400 0.115 0.000 2.263 5 D HA -0.102 4.541 4.640 0.004 0.000 0.208 5 D C 2.048 178.381 176.300 0.056 0.000 0.971 5 D CA 1.197 55.232 54.000 0.058 0.000 0.867 5 D CB -0.076 40.736 40.800 0.020 0.000 0.929 5 D HN 0.427 nan 8.370 nan 0.000 0.492 6 S N -0.626 115.112 115.700 0.064 0.000 2.558 6 S HA -0.094 4.378 4.470 0.004 0.000 0.217 6 S C 0.915 175.555 174.600 0.066 0.000 0.975 6 S CA -0.310 57.918 58.200 0.047 0.000 0.912 6 S CB -0.226 62.989 63.200 0.024 0.000 0.776 6 S HN 0.257 nan 8.310 nan 0.000 0.526 7 H N 2.925 122.002 119.070 0.012 0.000 2.897 7 H HA 0.028 4.585 4.556 0.003 0.000 0.347 7 H C 1.502 176.821 175.328 -0.014 0.000 1.068 7 H CA 1.357 57.405 56.048 -0.000 0.000 1.426 7 H CB 0.814 30.568 29.762 -0.014 0.000 1.410 7 H HN 0.633 nan 8.280 nan 0.000 0.597 8 E N 3.095 123.136 120.200 -0.265 0.000 2.118 8 E HA -0.101 4.251 4.350 0.004 0.000 0.195 8 E C 0.674 177.316 176.600 0.070 0.000 0.992 8 E CA 0.724 57.079 56.400 -0.076 0.000 0.804 8 E CB -0.019 29.625 29.700 -0.093 0.000 0.741 8 E HN 0.193 nan 8.360 nan 0.000 0.458 12 R N 1.100 121.612 120.500 0.020 0.000 2.092 12 R HA 0.046 4.389 4.340 0.004 0.000 0.231 12 R C 2.198 178.497 176.300 -0.003 0.000 1.119 12 R CA 1.205 57.315 56.100 0.018 0.000 0.970 12 R CB -0.089 30.234 30.300 0.038 0.000 0.864 12 R HN 0.138 nan 8.270 nan 0.000 0.440 13 L N 0.623 121.835 121.223 -0.018 0.000 2.083 13 L HA -0.191 4.151 4.340 0.004 0.000 0.209 13 L C 1.736 178.574 176.870 -0.054 0.000 1.083 13 L CA 1.035 55.840 54.840 -0.059 0.000 0.752 13 L CB -0.412 41.588 42.059 -0.098 0.000 0.899 13 L HN 0.136 nan 8.230 nan 0.000 0.433 14 D N 0.337 120.713 120.400 -0.040 0.000 2.158 14 D HA -0.193 4.449 4.640 0.004 0.000 0.197 14 D C 2.183 178.469 176.300 -0.023 0.000 0.995 14 D CA 1.578 55.557 54.000 -0.035 0.000 0.846 14 D CB 0.031 40.816 40.800 -0.025 0.000 0.941 14 D HN 0.335 nan 8.370 nan 0.000 0.456 15 A N 0.099 122.910 122.820 -0.015 0.000 2.067 15 A HA -0.087 4.236 4.320 0.004 0.000 0.219 15 A C 2.026 179.605 177.584 -0.009 0.000 1.158 15 A CA 0.654 52.687 52.037 -0.007 0.000 0.661 15 A CB -0.274 18.726 19.000 0.001 0.000 0.801 15 A HN 0.244 nan 8.150 nan 0.000 0.452 16 L N -0.676 120.536 121.223 -0.019 0.000 2.477 16 L HA 0.203 4.545 4.340 0.004 0.000 0.220 16 L C 1.918 178.775 176.870 -0.022 0.000 1.106 16 L CA 0.943 55.771 54.840 -0.021 0.000 0.851 16 L CB -0.407 41.632 42.059 -0.035 0.000 0.994 16 L HN 0.352 nan 8.230 nan 0.000 0.462 17 L N 0.220 121.427 121.223 -0.026 0.000 2.012 17 L HA -0.156 4.187 4.340 0.004 0.000 0.210 17 L C -0.137 176.733 176.870 0.000 0.000 1.073 17 L CA 1.343 56.172 54.840 -0.019 0.000 0.748 17 L CB -2.171 39.876 42.059 -0.021 0.000 0.891 17 L HN 0.239 nan 8.230 nan 0.000 0.431 18 P HA -0.143 nan 4.420 nan 0.000 0.216 18 P C 1.641 178.947 177.300 0.010 0.000 1.150 18 P CA 1.478 64.584 63.100 0.011 0.000 0.837 18 P CB -0.070 31.635 31.700 0.010 0.000 0.786 19 T N -0.357 114.200 114.554 0.005 0.000 2.737 19 T HA -0.078 4.275 4.350 0.004 0.000 0.265 19 T C 1.740 176.443 174.700 0.004 0.000 1.038 19 T CA 1.048 63.152 62.100 0.006 0.000 1.144 19 T CB -0.923 67.948 68.868 0.006 0.000 0.866 19 T HN 0.051 nan 8.240 nan 0.000 0.434 20 L N 0.457 121.679 121.223 -0.001 0.000 2.042 20 L HA -0.137 4.206 4.340 0.004 0.000 0.210 20 L C 2.917 179.789 176.870 0.004 0.000 1.076 20 L CA 1.504 56.343 54.840 -0.002 0.000 0.749 20 L CB -0.583 41.469 42.059 -0.012 0.000 0.893 20 L HN 0.187 nan 8.230 nan 0.000 0.432 21 R N 0.009 120.517 120.500 0.013 0.000 2.083 21 R HA -0.224 4.118 4.340 0.004 0.000 0.237 21 R C 2.276 178.576 176.300 -0.000 0.000 1.137 21 R CA 1.714 57.823 56.100 0.015 0.000 0.951 21 R CB -0.323 30.000 30.300 0.037 0.000 0.851 21 R HN 0.231 nan 8.270 nan 0.000 0.434 22 E N 0.944 121.148 120.200 0.006 0.000 2.153 22 E HA -0.160 4.193 4.350 0.004 0.000 0.194 22 E C 1.294 177.894 176.600 -0.001 0.000 0.988 22 E CA 1.426 57.828 56.400 0.004 0.000 0.811 22 E CB 0.112 29.817 29.700 0.008 0.000 0.746 22 E HN 0.180 nan 8.360 nan 0.000 0.466 23 R N -0.622 119.878 120.500 0.000 0.000 2.359 23 R HA 0.335 4.677 4.340 0.004 0.000 0.231 23 R C 1.835 178.133 176.300 -0.003 0.000 0.913 23 R CA 0.396 56.498 56.100 0.004 0.000 1.075 23 R CB 0.343 30.650 30.300 0.012 0.000 1.087 23 R HN 0.135 nan 8.270 nan 0.000 0.515 24 A N 1.262 124.069 122.820 -0.021 0.000 1.917 24 A HA -0.288 4.035 4.320 0.004 0.000 0.219 24 A C 2.135 179.698 177.584 -0.035 0.000 1.182 24 A CA 1.584 53.595 52.037 -0.043 0.000 0.633 24 A CB -0.258 18.681 19.000 -0.101 0.000 0.819 24 A HN 0.200 nan 8.150 nan 0.000 0.448 25 Q N 0.450 120.231 119.800 -0.031 0.000 2.079 25 Q HA -0.183 4.159 4.340 0.004 0.000 0.200 25 Q C 1.966 177.965 176.000 -0.001 0.000 0.974 25 Q CA 2.216 58.006 55.803 -0.021 0.000 0.840 25 Q CB -0.435 28.291 28.738 -0.019 0.000 0.898 25 Q HN 0.853 nan 8.270 nan 0.000 0.430 26 E N -1.446 118.758 120.200 0.007 0.000 2.153 26 E HA -0.155 4.198 4.350 0.004 0.000 0.194 26 E C 1.619 178.239 176.600 0.033 0.000 0.988 26 E CA 1.550 57.962 56.400 0.020 0.000 0.811 26 E CB -0.404 29.309 29.700 0.021 0.000 0.746 26 E HN 0.213 nan 8.360 nan 0.000 0.466 27 T N 1.311 115.885 114.554 0.033 0.000 2.708 27 T HA -0.160 4.192 4.350 0.004 0.000 0.266 27 T C 1.628 176.367 174.700 0.064 0.000 1.037 27 T CA 1.653 63.785 62.100 0.054 0.000 1.146 27 T CB -0.195 68.702 68.868 0.047 0.000 0.865 27 T HN 0.307 nan 8.240 nan 0.000 0.435 28 E N 0.833 121.057 120.200 0.041 0.000 2.058 28 E HA -0.170 4.183 4.350 0.004 0.000 0.194 28 E C 2.032 178.660 176.600 0.047 0.000 0.997 28 E CA 1.261 57.687 56.400 0.043 0.000 0.801 28 E CB -0.166 29.538 29.700 0.007 0.000 0.746 28 E HN 0.430 nan 8.360 nan 0.000 0.450 29 D N 0.544 120.964 120.400 0.033 0.000 2.178 29 D HA -0.120 4.522 4.640 0.004 0.000 0.202 29 D C 1.844 178.171 176.300 0.045 0.000 0.974 29 D CA 0.516 54.534 54.000 0.029 0.000 0.841 29 D CB -0.094 40.718 40.800 0.020 0.000 0.953 29 D HN 0.063 nan 8.370 nan 0.000 0.478 30 L N 0.635 121.894 121.223 0.060 0.000 2.313 30 L HA 0.063 4.406 4.340 0.004 0.000 0.214 30 L C 0.678 177.606 176.870 0.097 0.000 1.119 30 L CA 0.944 55.827 54.840 0.072 0.000 0.809 30 L CB -0.029 42.078 42.059 0.079 0.000 0.933 30 L HN -0.063 nan 8.230 nan 0.000 0.449 31 R N -0.375 120.199 120.500 0.124 0.000 3.875 31 R HA -0.218 4.125 4.340 0.004 0.000 0.321 31 R C -0.231 176.201 176.300 0.220 0.000 1.196 31 R CA 1.060 57.283 56.100 0.205 0.000 0.868 31 R CB -1.965 28.452 30.300 0.195 0.000 1.333 31 R HN 0.633 nan 8.270 nan 0.000 0.522 32 R N -1.226 119.374 120.500 0.166 0.000 2.712 32 R HA 0.390 4.732 4.340 0.004 0.000 0.272 32 R C -0.824 175.595 176.300 0.197 0.000 1.032 32 R CA -1.215 54.983 56.100 0.162 0.000 0.874 32 R CB 0.769 31.137 30.300 0.114 0.000 1.256 32 R HN -0.112 nan 8.270 nan 0.000 0.468 33 I N 1.805 122.534 120.570 0.264 0.000 2.618 33 I HA 0.179 4.352 4.170 0.004 0.000 0.284 33 I C -1.907 174.354 176.117 0.240 0.000 1.146 33 I CA -2.410 59.011 61.300 0.202 0.000 1.425 33 I CB 0.013 38.072 38.000 0.098 0.000 1.383 33 I HN 0.499 nan 8.210 nan 0.000 0.562 34 P HA 0.005 nan 4.420 nan 0.000 0.267 34 P C 0.561 177.927 177.300 0.111 0.000 1.200 34 P CA 0.114 63.290 63.100 0.126 0.000 0.772 34 P CB 0.702 32.448 31.700 0.077 0.000 0.855 35 D N 1.443 121.941 120.400 0.164 0.000 2.149 35 D HA -0.218 4.424 4.640 0.004 0.000 0.198 35 D C 1.103 177.445 176.300 0.071 0.000 0.990 35 D CA 1.574 55.666 54.000 0.153 0.000 0.839 35 D CB -0.154 40.743 40.800 0.162 0.000 0.948 35 D HN 0.296 nan 8.370 nan 0.000 0.460 36 D N -0.225 120.213 120.400 0.064 0.000 2.123 36 D HA -0.071 4.571 4.640 0.004 0.000 0.196 36 D C 0.974 177.297 176.300 0.038 0.000 0.992 36 D CA 0.607 54.637 54.000 0.050 0.000 0.833 36 D CB -0.332 40.493 40.800 0.043 0.000 0.954 36 D HN 0.132 nan 8.370 nan 0.000 0.455 40 A N 1.762 124.633 122.820 0.085 0.000 1.877 40 A HA -0.003 4.319 4.320 0.004 0.000 0.216 40 A C 2.007 179.631 177.584 0.066 0.000 1.186 40 A CA 1.834 53.909 52.037 0.063 0.000 0.620 40 A CB -0.766 18.253 19.000 0.032 0.000 0.822 40 A HN 0.252 nan 8.150 nan 0.000 0.443 41 L N -0.839 120.425 121.223 0.067 0.000 2.046 41 L HA -0.272 4.070 4.340 0.004 0.000 0.208 41 L C 2.926 179.864 176.870 0.114 0.000 1.077 41 L CA 1.923 56.761 54.840 -0.002 0.000 0.747 41 L CB -0.555 41.448 42.059 -0.093 0.000 0.896 41 L HN 0.623 nan 8.230 nan 0.000 0.432 42 Q N 0.028 120.036 119.800 0.347 0.000 2.061 42 Q HA -0.250 4.093 4.340 0.004 0.000 0.204 42 Q C 1.995 178.140 176.000 0.242 0.000 0.984 42 Q CA 1.667 57.725 55.803 0.426 0.000 0.846 42 Q CB 0.075 29.037 28.738 0.374 0.000 0.902 42 Q HN 0.395 nan 8.270 nan 0.000 0.421 43 E N -0.086 120.215 120.200 0.168 0.000 2.268 43 E HA -0.117 4.235 4.350 0.004 0.000 0.195 43 E C 2.032 178.702 176.600 0.117 0.000 0.995 43 E CA 1.507 57.983 56.400 0.127 0.000 0.836 43 E CB -0.258 29.499 29.700 0.096 0.000 0.763 43 E HN 0.634 nan 8.360 nan 0.000 0.491 44 T N -2.650 111.968 114.554 0.108 0.000 2.962 44 T HA 0.031 4.384 4.350 0.004 0.000 0.270 44 T C 1.624 176.413 174.700 0.148 0.000 1.088 44 T CA 1.238 63.398 62.100 0.099 0.000 1.127 44 T CB -0.067 68.837 68.868 0.058 0.000 0.883 44 T HN 0.253 nan 8.240 nan 0.000 0.493 45 G N 0.342 109.255 108.800 0.188 0.000 2.175 45 G HA2 -0.298 3.665 3.960 0.004 0.000 0.244 45 G HA3 -0.298 3.665 3.960 0.004 0.000 0.244 45 G C 0.381 175.399 174.900 0.196 0.000 0.982 45 G CA 0.315 45.574 45.100 0.266 0.000 0.641 45 G HN 0.544 nan 8.290 nan 0.000 0.527 46 F N 1.124 121.041 119.950 -0.055 0.000 2.091 46 F HA 0.069 4.598 4.527 0.004 0.000 0.299 46 F C 2.181 177.916 175.800 -0.109 0.000 1.103 46 F CA 2.423 60.301 58.000 -0.204 0.000 1.228 46 F CB -0.335 38.399 39.000 -0.444 0.000 0.984 46 F HN 0.124 nan 8.300 nan 0.000 0.477 47 F N 0.678 120.632 119.950 0.007 0.000 2.365 47 F HA 0.002 4.531 4.527 0.004 0.000 0.300 47 F C 2.286 178.051 175.800 -0.059 0.000 1.090 47 F CA 0.999 58.960 58.000 -0.066 0.000 1.408 47 F CB -0.775 38.312 39.000 0.145 0.000 1.060 47 F HN -0.093 nan 8.300 nan 0.000 0.534 48 R N -0.060 120.539 120.500 0.164 0.000 2.307 48 R HA 0.019 4.362 4.340 0.004 0.000 0.199 48 R C 1.978 178.420 176.300 0.236 0.000 1.000 48 R CA 0.255 56.458 56.100 0.171 0.000 1.023 48 R CB -0.348 30.078 30.300 0.210 0.000 0.908 48 R HN 0.364 nan 8.270 nan 0.000 0.473 49 L N 0.401 121.667 121.223 0.072 0.000 2.013 49 L HA -0.210 4.132 4.340 0.004 0.000 0.212 49 L C 1.843 178.724 176.870 0.019 0.000 1.073 49 L CA 1.536 56.377 54.840 0.002 0.000 0.753 49 L CB -0.214 41.747 42.059 -0.163 0.000 0.890 49 L HN 0.225 nan 8.230 nan 0.000 0.432 50 L N -1.084 120.098 121.223 -0.069 0.000 2.628 50 L HA 0.119 4.461 4.340 0.004 0.000 0.229 50 L C 0.903 177.916 176.870 0.238 0.000 1.137 50 L CA -0.274 54.564 54.840 -0.004 0.000 0.909 50 L CB 0.036 41.973 42.059 -0.203 0.000 1.137 50 L HN 0.289 nan 8.230 nan 0.000 0.470 51 Q N 1.789 121.686 119.800 0.162 0.000 2.327 51 Q HA 0.215 4.557 4.340 0.004 0.000 0.254 51 Q C -2.250 173.866 176.000 0.193 0.000 0.952 51 Q CA -1.742 54.126 55.803 0.109 0.000 0.884 51 Q CB 1.235 29.892 28.738 -0.135 0.000 1.224 51 Q HN -0.064 nan 8.270 nan 0.000 0.422 52 P HA -0.085 nan 4.420 nan 0.000 0.269 52 P C -0.237 177.105 177.300 0.069 0.000 1.215 52 P CA 0.165 63.389 63.100 0.207 0.000 0.780 52 P CB 0.564 32.343 31.700 0.130 0.000 0.898 53 E N 2.136 122.360 120.200 0.041 0.000 2.160 53 E HA -0.288 4.064 4.350 0.004 0.000 0.195 53 E C 1.560 178.070 176.600 -0.149 0.000 0.991 53 E CA 1.188 57.559 56.400 -0.048 0.000 0.810 53 E CB 0.054 29.739 29.700 -0.025 0.000 0.742 53 E HN 0.530 nan 8.360 nan 0.000 0.466 54 Q N -1.099 118.543 119.800 -0.263 0.000 2.364 54 Q HA -0.158 4.184 4.340 0.004 0.000 0.209 54 Q C 0.889 176.498 176.000 -0.652 0.000 0.977 54 Q CA 1.414 56.911 55.803 -0.509 0.000 0.885 54 Q CB -0.392 27.932 28.738 -0.690 0.000 0.941 54 Q HN 0.384 nan 8.270 nan 0.000 0.464 55 W N -0.162 121.054 121.300 -0.140 0.000 3.123 55 W HA 0.483 5.146 4.660 0.005 0.000 0.383 55 W C 0.777 177.137 176.519 -0.264 0.000 1.102 55 W CA -0.201 57.006 57.345 -0.230 0.000 1.865 55 W CB 1.006 30.201 29.460 -0.442 0.000 1.111 55 W HN 0.315 nan 8.180 nan 0.000 0.621 56 G N 0.405 109.165 108.800 -0.066 0.000 2.157 56 G HA2 -0.200 3.762 3.960 0.004 0.000 0.248 56 G HA3 -0.200 3.762 3.960 0.004 0.000 0.248 56 G C 0.522 175.318 174.900 -0.174 0.000 0.979 56 G CA -0.348 44.683 45.100 -0.114 0.000 0.650 56 G HN 0.488 nan 8.290 nan 0.000 0.529 57 G N -1.521 107.201 108.800 -0.131 0.000 2.547 57 G HA2 0.523 4.485 3.960 0.004 0.000 0.291 57 G HA3 0.523 4.485 3.960 0.004 0.000 0.291 57 G C 0.418 175.251 174.900 -0.111 0.000 1.211 57 G CA -0.351 44.689 45.100 -0.099 0.000 0.950 57 G HN 0.210 nan 8.290 nan 0.000 0.504 58 Y N -0.408 119.914 120.300 0.036 0.000 2.500 58 Y HA 0.046 4.597 4.550 0.001 0.000 0.270 58 Y C 1.950 177.880 175.900 0.051 0.000 1.134 58 Y CA 0.636 58.768 58.100 0.054 0.000 1.293 58 Y CB -0.053 38.443 38.460 0.061 0.000 1.063 58 Y HN 0.655 nan 8.280 nan 0.000 0.534 59 Q N 0.140 120.062 119.800 0.204 0.000 2.402 59 Q HA -0.244 4.098 4.340 0.004 0.000 0.356 59 Q C -0.123 175.893 176.000 0.026 0.000 1.344 59 Q CA 0.168 56.045 55.803 0.124 0.000 1.062 59 Q CB -1.784 27.078 28.738 0.207 0.000 1.268 59 Q HN 0.384 nan 8.270 nan 0.000 0.383 60 A N 0.946 123.765 122.820 -0.001 0.000 2.332 60 A HA 0.278 4.600 4.320 0.004 0.000 0.258 60 A C 0.258 177.713 177.584 -0.215 0.000 1.087 60 A CA 0.052 52.056 52.037 -0.053 0.000 0.802 60 A CB 0.605 19.527 19.000 -0.129 0.000 1.042 60 A HN 0.538 nan 8.150 nan 0.000 0.489 61 D N 1.333 121.603 120.400 -0.217 0.000 2.662 61 D HA -0.030 4.612 4.640 0.004 0.000 0.233 61 D C -1.196 174.779 176.300 -0.541 0.000 1.129 61 D CA -0.908 52.770 54.000 -0.536 0.000 0.851 61 D CB 0.799 41.533 40.800 -0.109 0.000 1.152 61 D HN 0.203 nan 8.370 nan 0.000 0.507 62 P HA -0.128 nan 4.420 nan 0.000 0.222 62 P C 1.604 178.718 177.300 -0.311 0.000 1.147 62 P CA 0.335 63.148 63.100 -0.478 0.000 0.790 62 P CB 0.331 31.792 31.700 -0.398 0.000 0.780 63 V N 0.306 120.066 119.914 -0.258 0.000 2.407 63 V HA -0.211 3.912 4.120 0.004 0.000 0.248 63 V C 2.624 178.467 176.094 -0.418 0.000 1.055 63 V CA 1.440 63.626 62.300 -0.190 0.000 1.049 63 V CB -1.295 30.454 31.823 -0.122 0.000 0.662 63 V HN 0.053 nan 8.190 nan 0.000 0.455 64 L N -0.140 120.697 121.223 -0.644 0.000 2.012 64 L HA -0.177 4.165 4.340 0.004 0.000 0.210 64 L C 2.177 178.850 176.870 -0.327 0.000 1.073 64 L CA 2.129 56.610 54.840 -0.598 0.000 0.748 64 L CB -0.885 40.904 42.059 -0.451 0.000 0.891 64 L HN 0.339 nan 8.230 nan 0.000 0.431 65 F N -0.704 118.977 119.950 -0.449 0.000 2.069 65 F HA -0.284 4.245 4.527 0.003 0.000 0.298 65 F C 2.103 177.741 175.800 -0.269 0.000 1.113 65 F CA 1.818 59.562 58.000 -0.428 0.000 1.214 65 F CB -0.613 38.013 39.000 -0.622 0.000 0.978 65 F HN 0.170 nan 8.300 nan 0.000 0.474 66 Y N 0.081 120.332 120.300 -0.082 0.000 2.352 66 Y HA -0.122 4.431 4.550 0.004 0.000 0.292 66 Y C 2.761 178.679 175.900 0.031 0.000 1.136 66 Y CA 1.192 59.254 58.100 -0.063 0.000 1.227 66 Y CB -1.345 37.155 38.460 0.067 0.000 0.991 66 Y HN 0.027 nan 8.280 nan 0.000 0.545 67 S N -0.113 115.679 115.700 0.153 0.000 2.383 67 S HA -0.193 4.280 4.470 0.004 0.000 0.227 67 S C 2.383 176.879 174.600 -0.174 0.000 1.026 67 S CA 0.980 59.180 58.200 -0.000 0.000 0.981 67 S CB -0.595 62.600 63.200 -0.009 0.000 0.818 67 S HN 0.524 nan 8.310 nan 0.000 0.472 68 A N 1.190 123.899 122.820 -0.185 0.000 1.902 68 A HA -0.044 4.279 4.320 0.004 0.000 0.217 68 A C 2.338 179.765 177.584 -0.262 0.000 1.181 68 A CA 1.469 53.399 52.037 -0.178 0.000 0.623 68 A CB -0.922 18.058 19.000 -0.033 0.000 0.818 68 A HN 0.336 nan 8.150 nan 0.000 0.443 69 V N 0.118 119.860 119.914 -0.288 0.000 2.295 69 V HA -0.274 3.849 4.120 0.004 0.000 0.246 69 V C 2.653 178.625 176.094 -0.202 0.000 1.049 69 V CA 2.311 64.445 62.300 -0.277 0.000 1.024 69 V CB -0.816 30.866 31.823 -0.235 0.000 0.648 69 V HN 0.673 nan 8.190 nan 0.000 0.447 70 R N 0.272 120.649 120.500 -0.205 0.000 2.103 70 R HA -0.254 4.089 4.340 0.004 0.000 0.242 70 R C 2.442 178.561 176.300 -0.301 0.000 1.142 70 R CA 2.284 58.204 56.100 -0.301 0.000 0.960 70 R CB -0.285 29.616 30.300 -0.665 0.000 0.858 70 R HN 0.504 nan 8.270 nan 0.000 0.439 71 K N 0.398 120.615 120.400 -0.306 0.000 2.002 71 K HA -0.143 4.180 4.320 0.004 0.000 0.209 71 K C 2.126 178.616 176.600 -0.184 0.000 1.048 71 K CA 1.811 57.948 56.287 -0.249 0.000 0.930 71 K CB -0.157 32.208 32.500 -0.226 0.000 0.714 71 K HN 0.200 nan 8.250 nan 0.000 0.438 72 I N 1.116 121.553 120.570 -0.221 0.000 2.179 72 I HA -0.265 3.907 4.170 0.004 0.000 0.242 72 I C 2.475 178.543 176.117 -0.082 0.000 1.088 72 I CA 1.335 62.515 61.300 -0.199 0.000 1.357 72 I CB -0.367 37.423 38.000 -0.351 0.000 1.051 72 I HN 0.257 nan 8.210 nan 0.000 0.409 73 A N 0.536 123.320 122.820 -0.060 0.000 2.019 73 A HA -0.203 4.120 4.320 0.004 0.000 0.219 73 A C 2.439 180.103 177.584 0.133 0.000 1.164 73 A CA 1.912 53.986 52.037 0.062 0.000 0.644 73 A CB -0.760 18.280 19.000 0.066 0.000 0.805 73 A HN 0.546 nan 8.150 nan 0.000 0.449 74 S N -0.591 115.129 115.700 0.033 0.000 2.474 74 S HA 0.212 4.684 4.470 0.004 0.000 0.235 74 S C 1.742 176.461 174.600 0.199 0.000 0.997 74 S CA 1.103 59.320 58.200 0.029 0.000 0.949 74 S CB -0.218 62.946 63.200 -0.060 0.000 0.766 74 S HN 0.785 nan 8.310 nan 0.000 0.517 75 A N -0.362 122.562 122.820 0.173 0.000 1.973 75 A HA 0.451 4.773 4.320 0.004 0.000 0.210 75 A C 1.037 178.724 177.584 0.172 0.000 1.200 75 A CA 0.584 52.726 52.037 0.175 0.000 0.707 75 A CB -0.266 18.768 19.000 0.056 0.000 0.862 75 A HN 0.789 nan 8.150 nan 0.000 0.461 76 C N -1.087 118.304 119.300 0.150 0.000 2.727 76 C HA 0.580 5.043 4.460 0.004 0.000 0.369 76 C C 1.685 176.755 174.990 0.133 0.000 1.067 76 C CA -0.397 58.663 59.018 0.070 0.000 1.273 76 C CB 0.409 28.163 27.740 0.023 0.000 1.778 76 C HN 0.620 nan 8.230 nan 0.000 0.467 77 G N 3.148 112.039 108.800 0.151 0.000 2.446 77 G HA2 -0.151 3.812 3.960 0.004 0.000 0.217 77 G HA3 -0.151 3.812 3.960 0.004 0.000 0.217 77 G C 1.653 176.663 174.900 0.184 0.000 1.168 77 G CA 1.547 46.773 45.100 0.211 0.000 0.771 77 G HN 0.769 nan 8.290 nan 0.000 0.551 78 S N 0.099 115.875 115.700 0.127 0.000 2.368 78 S HA -0.095 4.377 4.470 0.004 0.000 0.224 78 S C 2.565 177.288 174.600 0.204 0.000 1.029 78 S CA 1.706 60.007 58.200 0.168 0.000 0.988 78 S CB -0.409 62.871 63.200 0.133 0.000 0.838 78 S HN 0.458 nan 8.310 nan 0.000 0.462 79 T N 1.331 115.962 114.554 0.130 0.000 2.821 79 T HA -0.017 4.336 4.350 0.004 0.000 0.267 79 T C 2.033 176.777 174.700 0.072 0.000 1.046 79 T CA 1.234 63.387 62.100 0.089 0.000 1.139 79 T CB -0.705 68.178 68.868 0.025 0.000 0.871 79 T HN 0.529 nan 8.240 nan 0.000 0.454 80 G N 0.291 109.142 108.800 0.086 0.000 2.402 80 G HA2 -0.194 3.768 3.960 0.004 0.000 0.216 80 G HA3 -0.194 3.768 3.960 0.004 0.000 0.216 80 G C 1.438 176.425 174.900 0.146 0.000 1.162 80 G CA 0.330 45.457 45.100 0.045 0.000 0.777 80 G HN 0.527 nan 8.290 nan 0.000 0.539 81 W N 1.092 122.422 121.300 0.050 0.000 2.355 81 W HA -0.149 4.514 4.660 0.005 0.000 0.309 81 W C 2.187 178.777 176.519 0.118 0.000 1.206 81 W CA 1.666 59.063 57.345 0.087 0.000 1.284 81 W CB -0.414 29.113 29.460 0.111 0.000 1.145 81 W HN 0.117 nan 8.180 nan 0.000 0.502 82 V N 0.972 121.089 119.914 0.339 0.000 2.343 82 V HA -0.315 3.808 4.120 0.004 0.000 0.247 82 V C 2.517 178.756 176.094 0.241 0.000 1.051 82 V CA 2.252 64.707 62.300 0.258 0.000 1.036 82 V CB -1.187 30.796 31.823 0.267 0.000 0.654 82 V HN 0.105 nan 8.190 nan 0.000 0.451 83 S N -0.420 115.396 115.700 0.193 0.000 2.359 83 S HA -0.241 4.232 4.470 0.004 0.000 0.224 83 S C 2.248 177.091 174.600 0.405 0.000 1.035 83 S CA 1.870 60.205 58.200 0.225 0.000 1.018 83 S CB -0.434 62.544 63.200 -0.370 0.000 0.876 83 S HN 0.587 nan 8.310 nan 0.000 0.448 84 S N 0.988 116.796 115.700 0.180 0.000 2.359 84 S HA -0.061 4.411 4.470 0.004 0.000 0.224 84 S C 1.792 176.542 174.600 0.250 0.000 1.035 84 S CA 1.191 59.519 58.200 0.213 0.000 1.018 84 S CB -0.442 62.765 63.200 0.011 0.000 0.876 84 S HN 0.432 nan 8.310 nan 0.000 0.448 85 I N 1.407 121.994 120.570 0.029 0.000 2.133 85 I HA -0.150 4.023 4.170 0.004 0.000 0.238 85 I C 2.146 178.074 176.117 -0.316 0.000 1.074 85 I CA 0.877 62.119 61.300 -0.095 0.000 1.342 85 I CB -0.337 37.604 38.000 -0.097 0.000 1.053 85 I HN 0.307 nan 8.210 nan 0.000 0.404 86 I N 1.062 121.632 120.570 -0.000 0.000 2.208 86 I HA -0.227 3.945 4.170 0.004 0.000 0.245 86 I C 2.671 178.917 176.117 0.214 0.000 1.097 86 I CA 1.925 63.282 61.300 0.095 0.000 1.363 86 I CB -2.073 36.083 38.000 0.259 0.000 1.051 86 I HN 0.287 nan 8.210 nan 0.000 0.413 87 G N 0.114 109.203 108.800 0.481 0.000 2.422 87 G HA2 -0.182 3.780 3.960 0.004 0.000 0.218 87 G HA3 -0.182 3.780 3.960 0.004 0.000 0.218 87 G C 1.872 176.845 174.900 0.121 0.000 1.146 87 G CA 0.796 46.182 45.100 0.477 0.000 0.769 87 G HN 0.312 nan 8.290 nan 0.000 0.547 88 V N 0.458 120.417 119.914 0.075 0.000 2.809 88 V HA -0.076 4.046 4.120 0.004 0.000 0.256 88 V C 2.365 178.680 176.094 0.368 0.000 1.080 88 V CA 1.741 64.047 62.300 0.010 0.000 1.102 88 V CB -0.654 31.207 31.823 0.063 0.000 0.705 88 V HN 0.641 nan 8.190 nan 0.000 0.475 89 H N -0.189 119.124 119.070 0.406 0.000 2.489 89 H HA -0.084 4.474 4.556 0.004 0.000 0.293 89 H C 1.998 177.537 175.328 0.351 0.000 1.066 89 H CA 1.247 57.544 56.048 0.414 0.000 1.305 89 H CB 0.093 30.016 29.762 0.268 0.000 1.386 89 H HN 0.416 nan 8.280 nan 0.000 0.551 90 N N 0.021 118.993 118.700 0.453 0.000 2.396 90 N HA -0.138 4.605 4.740 0.004 0.000 0.180 90 N C 1.438 177.247 175.510 0.499 0.000 1.028 90 N CA 0.638 53.989 53.050 0.502 0.000 0.893 90 N CB -0.271 38.463 38.487 0.412 0.000 0.967 90 N HN 0.521 nan 8.380 nan 0.000 0.440 91 W N 1.147 122.611 121.300 0.273 0.000 2.407 91 W HA -0.064 4.598 4.660 0.002 0.000 0.305 91 W C 2.437 179.196 176.519 0.400 0.000 1.196 91 W CA 1.387 58.947 57.345 0.358 0.000 1.311 91 W CB -0.554 29.021 29.460 0.193 0.000 1.135 91 W HN 0.216 nan 8.180 nan 0.000 0.514 92 H N -0.430 119.000 119.070 0.600 0.000 2.353 92 H HA -0.227 4.331 4.556 0.004 0.000 0.300 92 H C 2.155 177.561 175.328 0.131 0.000 1.090 92 H CA 1.558 57.807 56.048 0.336 0.000 1.327 92 H CB -0.145 29.910 29.762 0.489 0.000 1.383 92 H HN 0.198 nan 8.280 nan 0.000 0.508 93 L N 1.084 122.351 121.223 0.073 0.000 2.131 93 L HA -0.069 4.273 4.340 0.004 0.000 0.210 93 L C 2.513 179.330 176.870 -0.090 0.000 1.092 93 L CA 1.597 56.284 54.840 -0.254 0.000 0.759 93 L CB -0.817 40.857 42.059 -0.641 0.000 0.903 93 L HN 0.337 nan 8.230 nan 0.000 0.435 94 A N -0.909 121.878 122.820 -0.055 0.000 2.131 94 A HA -0.152 4.171 4.320 0.004 0.000 0.220 94 A C 2.117 179.522 177.584 -0.299 0.000 1.158 94 A CA 1.823 53.714 52.037 -0.243 0.000 0.665 94 A CB -0.722 17.820 19.000 -0.763 0.000 0.795 94 A HN 0.533 nan 8.150 nan 0.000 0.460 95 L N -2.471 118.615 121.223 -0.228 0.000 2.477 95 L HA 0.206 4.548 4.340 0.004 0.000 0.220 95 L C 0.525 177.273 176.870 -0.204 0.000 1.106 95 L CA -0.448 54.242 54.840 -0.250 0.000 0.851 95 L CB -0.220 41.648 42.059 -0.317 0.000 0.994 95 L HN 0.263 nan 8.230 nan 0.000 0.462 96 F N 0.929 120.698 119.950 -0.303 0.000 2.480 96 F HA 0.019 4.548 4.527 0.003 0.000 0.319 96 F C 1.610 177.300 175.800 -0.184 0.000 1.230 96 F CA -0.383 57.449 58.000 -0.280 0.000 1.285 96 F CB 0.480 39.265 39.000 -0.360 0.000 1.208 96 F HN -0.050 nan 8.300 nan 0.000 0.579 97 S N 0.852 116.583 115.700 0.052 0.000 2.559 97 S HA -0.092 4.380 4.470 0.004 0.000 0.282 97 S C 0.874 175.507 174.600 0.055 0.000 1.336 97 S CA -0.563 57.660 58.200 0.037 0.000 1.037 97 S CB 0.991 64.234 63.200 0.072 0.000 0.853 97 S HN 0.719 nan 8.310 nan 0.000 0.523 98 Q N 1.213 121.042 119.800 0.048 0.000 2.096 98 Q HA -0.266 4.076 4.340 0.004 0.000 0.208 98 Q C 2.301 178.357 176.000 0.092 0.000 0.993 98 Q CA 2.544 58.403 55.803 0.094 0.000 0.862 98 Q CB -0.584 28.188 28.738 0.057 0.000 0.915 98 Q HN 0.938 nan 8.270 nan 0.000 0.416 99 Q N -1.120 118.695 119.800 0.025 0.000 2.096 99 Q HA -0.212 4.131 4.340 0.004 0.000 0.204 99 Q C 1.874 177.879 176.000 0.009 0.000 0.982 99 Q CA 1.677 57.456 55.803 -0.039 0.000 0.850 99 Q CB -0.345 28.250 28.738 -0.240 0.000 0.901 99 Q HN 0.511 nan 8.270 nan 0.000 0.422 100 A N 0.604 123.480 122.820 0.094 0.000 1.877 100 A HA -0.257 4.066 4.320 0.004 0.000 0.216 100 A C 1.940 179.284 177.584 -0.400 0.000 1.186 100 A CA 1.713 53.702 52.037 -0.080 0.000 0.620 100 A CB -0.615 18.344 19.000 -0.069 0.000 0.822 100 A HN 0.558 nan 8.150 nan 0.000 0.443 101 Q N -0.475 119.146 119.800 -0.299 0.000 2.124 101 Q HA -0.212 4.130 4.340 0.004 0.000 0.202 101 Q C 1.963 177.617 176.000 -0.576 0.000 0.977 101 Q CA 1.699 57.209 55.803 -0.487 0.000 0.850 101 Q CB -0.218 28.538 28.738 0.030 0.000 0.901 101 Q HN 0.781 nan 8.270 nan 0.000 0.429 102 E N 0.657 120.769 120.200 -0.147 0.000 2.106 102 E HA -0.177 4.175 4.350 0.004 0.000 0.192 102 E C 1.537 178.039 176.600 -0.165 0.000 0.984 102 E CA 1.013 57.394 56.400 -0.032 0.000 0.806 102 E CB 0.013 29.816 29.700 0.172 0.000 0.750 102 E HN 0.329 nan 8.360 nan 0.000 0.458 103 D N 0.341 120.617 120.400 -0.207 0.000 2.123 103 D HA -0.138 4.504 4.640 0.004 0.000 0.196 103 D C 2.009 178.106 176.300 -0.338 0.000 0.992 103 D CA 0.917 54.817 54.000 -0.167 0.000 0.833 103 D CB -0.104 40.621 40.800 -0.125 0.000 0.954 103 D HN 0.044 nan 8.370 nan 0.000 0.455 104 V N -0.718 118.693 119.914 -0.838 0.000 2.379 104 V HA -0.090 4.032 4.120 0.004 0.000 0.243 104 V C 1.476 177.200 176.094 -0.617 0.000 1.035 104 V CA 0.919 62.535 62.300 -1.141 0.000 1.035 104 V CB -0.026 30.659 31.823 -1.895 0.000 0.673 104 V HN 0.271 nan 8.190 nan 0.000 0.457 105 W N 0.141 121.049 121.300 -0.653 0.000 3.008 105 W HA 0.433 5.096 4.660 0.006 0.000 0.355 105 W C 2.019 178.319 176.519 -0.365 0.000 1.095 105 W CA 0.076 57.051 57.345 -0.617 0.000 1.738 105 W CB -0.662 28.131 29.460 -1.110 0.000 1.091 105 W HN 0.322 nan 8.180 nan 0.000 0.574 106 G N 0.893 109.663 108.800 -0.050 0.000 2.498 106 G HA2 -0.264 3.698 3.960 0.004 0.000 0.219 106 G HA3 -0.264 3.698 3.960 0.004 0.000 0.219 106 G C 1.177 176.176 174.900 0.165 0.000 1.119 106 G CA 1.030 46.229 45.100 0.165 0.000 0.766 106 G HN 0.301 nan 8.290 nan 0.000 0.552 107 N N -1.345 117.428 118.700 0.120 0.000 2.239 107 N HA 0.132 4.874 4.740 0.004 0.000 0.208 107 N C -0.901 174.676 175.510 0.111 0.000 1.200 107 N CA -0.051 53.065 53.050 0.110 0.000 0.895 107 N CB 1.032 39.571 38.487 0.087 0.000 1.085 107 N HN 0.068 nan 8.380 nan 0.000 0.500 108 D N 0.041 120.518 120.400 0.128 0.000 2.365 108 D HA 0.046 4.689 4.640 0.004 0.000 0.235 108 D C 0.264 176.659 176.300 0.158 0.000 1.368 108 D CA -0.285 53.790 54.000 0.126 0.000 1.001 108 D CB 0.888 41.759 40.800 0.119 0.000 1.364 108 D HN 0.086 nan 8.370 nan 0.000 0.577 109 T N -0.440 114.163 114.554 0.081 0.000 3.148 109 T HA 0.029 4.381 4.350 0.004 0.000 0.253 109 T C 0.672 175.287 174.700 -0.141 0.000 1.134 109 T CA 0.309 62.348 62.100 -0.101 0.000 1.051 109 T CB 0.166 68.970 68.868 -0.106 0.000 0.959 109 T HN 0.177 nan 8.240 nan 0.000 0.525 110 D N 1.132 121.557 120.400 0.042 0.000 2.339 110 D HA 0.162 4.805 4.640 0.004 0.000 0.217 110 D C 0.397 176.787 176.300 0.150 0.000 1.050 110 D CA 0.001 54.050 54.000 0.082 0.000 0.856 110 D CB 0.388 41.245 40.800 0.095 0.000 0.922 110 D HN 0.293 nan 8.370 nan 0.000 0.518 111 V N 1.740 121.806 119.914 0.254 0.000 2.694 111 V HA -0.053 4.069 4.120 0.004 0.000 0.306 111 V C 0.948 177.200 176.094 0.264 0.000 1.054 111 V CA 0.539 62.989 62.300 0.251 0.000 1.161 111 V CB 0.614 32.581 31.823 0.240 0.000 0.916 111 V HN -0.030 nan 8.190 nan 0.000 0.490 112 R N 3.713 124.295 120.500 0.137 0.000 2.787 112 R HA 0.763 5.106 4.340 0.004 0.000 0.271 112 R C -1.302 175.066 176.300 0.115 0.000 0.993 112 R CA -0.862 55.288 56.100 0.083 0.000 0.993 112 R CB 1.848 32.111 30.300 -0.062 0.000 1.155 112 R HN 0.520 nan 8.270 nan 0.000 0.486 113 I N 0.573 121.218 120.570 0.125 0.000 2.498 113 I HA 0.228 4.400 4.170 0.004 0.000 0.290 113 I C 0.094 176.330 176.117 0.198 0.000 1.032 113 I CA -0.264 61.093 61.300 0.095 0.000 1.073 113 I CB 2.123 40.084 38.000 -0.064 0.000 1.251 113 I HN 0.663 nan 8.210 nan 0.000 0.426 114 S N 3.409 119.149 115.700 0.066 0.000 2.758 114 S HA 0.942 5.414 4.470 0.004 0.000 0.292 114 S C -0.166 174.218 174.600 -0.361 0.000 1.131 114 S CA -0.372 57.860 58.200 0.053 0.000 0.997 114 S CB 1.749 64.993 63.200 0.074 0.000 1.111 114 S HN 0.766 nan 8.310 nan 0.000 0.552 115 S N -0.697 114.816 115.700 -0.312 0.000 2.638 115 S HA 0.779 5.251 4.470 0.004 0.000 0.274 115 S C -0.996 173.407 174.600 -0.327 0.000 1.157 115 S CA -0.660 57.192 58.200 -0.580 0.000 0.826 115 S CB 1.352 63.919 63.200 -1.056 0.000 1.139 115 S HN 1.286 nan 8.310 nan 0.000 0.474 116 S N 0.348 115.789 115.700 -0.431 0.000 2.614 116 S HA 0.464 4.937 4.470 0.004 0.000 0.259 116 S C -1.247 173.353 174.600 -0.001 0.000 1.118 116 S CA -0.554 57.609 58.200 -0.062 0.000 1.065 116 S CB 0.189 63.495 63.200 0.177 0.000 1.121 116 S HN 0.657 nan 8.310 nan 0.000 0.458 117 Y N 2.309 122.809 120.300 0.333 0.000 2.517 117 Y HA 0.427 4.979 4.550 0.004 0.000 0.281 117 Y C 1.648 177.832 175.900 0.473 0.000 1.125 117 Y CA 0.437 58.774 58.100 0.394 0.000 1.283 117 Y CB -0.209 38.470 38.460 0.365 0.000 1.042 117 Y HN 0.767 nan 8.280 nan 0.000 0.547 118 A N 2.670 125.811 122.820 0.535 0.000 2.483 118 A HA 0.260 4.583 4.320 0.004 0.000 0.238 118 A C -1.995 175.924 177.584 0.558 0.000 1.070 118 A CA -1.093 51.205 52.037 0.434 0.000 0.770 118 A CB -0.434 18.720 19.000 0.255 0.000 1.008 118 A HN 0.026 nan 8.150 nan 0.000 0.497 122 A N -1.814 120.990 122.820 -0.027 0.000 2.601 122 A HA 0.935 5.258 4.320 0.004 0.000 0.291 122 A C -0.385 177.130 177.584 -0.115 0.000 1.075 122 A CA 0.133 52.198 52.037 0.047 0.000 0.671 122 A CB 1.466 20.480 19.000 0.023 0.000 1.277 122 A HN 2.266 nan 8.150 nan 0.000 0.417 123 G N 0.114 108.876 108.800 -0.064 0.000 2.609 123 G HA2 0.539 4.501 3.960 0.004 0.000 0.308 123 G HA3 0.539 4.501 3.960 0.004 0.000 0.308 123 G C -0.759 174.240 174.900 0.165 0.000 1.369 123 G CA -0.439 44.568 45.100 -0.156 0.000 0.958 123 G HN 0.839 nan 8.290 nan 0.000 0.499 124 Q N 2.023 121.907 119.800 0.141 0.000 2.267 124 Q HA 0.414 4.757 4.340 0.004 0.000 0.255 124 Q C -0.008 176.122 176.000 0.215 0.000 0.923 124 Q CA -0.386 55.513 55.803 0.160 0.000 0.925 124 Q CB 1.504 30.295 28.738 0.089 0.000 1.195 124 Q HN 0.328 nan 8.270 nan 0.000 0.417 125 V N 5.672 125.698 119.914 0.186 0.000 2.540 125 V HA 0.280 4.403 4.120 0.004 0.000 0.297 125 V C 0.311 176.406 176.094 0.001 0.000 1.024 125 V CA 0.471 62.794 62.300 0.038 0.000 1.105 125 V CB 0.060 31.900 31.823 0.028 0.000 0.938 125 V HN 0.688 nan 8.190 nan 0.000 0.482 126 V N 1.671 121.554 119.914 -0.052 0.000 3.160 126 V HA 0.643 4.765 4.120 0.004 0.000 0.310 126 V C -0.663 175.428 176.094 -0.005 0.000 1.181 126 V CA -1.352 60.954 62.300 0.009 0.000 1.047 126 V CB 2.075 33.949 31.823 0.086 0.000 1.068 126 V HN 0.583 nan 8.190 nan 0.000 0.441 127 D N 1.507 121.911 120.400 0.006 0.000 2.487 127 D HA 0.431 5.074 4.640 0.004 0.000 0.243 127 D C 1.295 177.635 176.300 0.067 0.000 1.154 127 D CA 2.150 56.151 54.000 0.003 0.000 0.876 127 D CB 0.677 41.464 40.800 -0.022 0.000 1.161 127 D HN 1.584 nan 8.370 nan 0.000 0.478 128 G N 1.102 109.947 108.800 0.076 0.000 2.179 128 G HA2 -0.088 3.875 3.960 0.004 0.000 0.260 128 G HA3 -0.088 3.875 3.960 0.004 0.000 0.260 128 G C 0.738 175.793 174.900 0.257 0.000 0.977 128 G CA 0.347 45.564 45.100 0.195 0.000 0.641 128 G HN 1.118 nan 8.290 nan 0.000 0.533 129 G N -1.486 107.340 108.800 0.044 0.000 2.591 129 G HA2 0.549 4.512 3.960 0.004 0.000 0.104 129 G HA3 0.549 4.512 3.960 0.004 0.000 0.104 129 G C -1.156 173.369 174.900 -0.624 0.000 1.097 129 G CA 0.108 45.022 45.100 -0.310 0.000 1.076 129 G HN 1.008 nan 8.290 nan 0.000 0.485 130 Y N -0.227 120.039 120.300 -0.056 0.000 2.562 130 Y HA 0.650 5.203 4.550 0.004 0.000 0.345 130 Y C -0.155 175.730 175.900 -0.025 0.000 1.045 130 Y CA -0.788 57.316 58.100 0.007 0.000 1.028 130 Y CB 2.445 40.930 38.460 0.043 0.000 1.297 130 Y HN 0.416 nan 8.280 nan 0.000 0.463 131 T N 2.817 117.469 114.554 0.164 0.000 2.749 131 T HA 0.562 4.914 4.350 0.004 0.000 0.287 131 T C -0.649 174.035 174.700 -0.027 0.000 0.970 131 T CA -0.560 61.595 62.100 0.091 0.000 0.980 131 T CB 0.606 69.532 68.868 0.097 0.000 0.924 131 T HN 0.325 nan 8.240 nan 0.000 0.456 132 V N 5.005 124.859 119.914 -0.100 0.000 2.513 132 V HA 0.545 4.668 4.120 0.004 0.000 0.299 132 V C -0.189 175.868 176.094 -0.062 0.000 1.035 132 V CA -0.941 61.234 62.300 -0.208 0.000 0.889 132 V CB 1.773 33.339 31.823 -0.429 0.000 0.988 132 V HN 0.800 nan 8.190 nan 0.000 0.440 133 N N 2.498 121.171 118.700 -0.045 0.000 2.310 133 N HA 0.789 5.532 4.740 0.004 0.000 0.292 133 N C -0.292 175.159 175.510 -0.098 0.000 1.049 133 N CA -0.156 52.879 53.050 -0.025 0.000 0.849 133 N CB 2.736 41.197 38.487 -0.044 0.000 1.532 133 N HN 0.996 nan 8.380 nan 0.000 0.479 134 G N -0.276 108.457 108.800 -0.111 0.000 2.356 134 G HA2 0.615 4.578 3.960 0.004 0.000 0.294 134 G HA3 0.615 4.578 3.960 0.004 0.000 0.294 134 G C -2.030 172.728 174.900 -0.237 0.000 1.423 134 G CA -0.510 44.305 45.100 -0.476 0.000 0.806 134 G HN 0.540 nan 8.290 nan 0.000 0.527 135 A N 0.054 122.658 122.820 -0.360 0.000 2.702 135 A HA 0.588 4.911 4.320 0.004 0.000 0.305 135 A C -1.115 176.417 177.584 -0.087 0.000 1.213 135 A CA -0.401 51.579 52.037 -0.096 0.000 0.745 135 A CB 0.385 19.341 19.000 -0.074 0.000 1.161 135 A HN 0.586 nan 8.150 nan 0.000 0.445 136 W N 2.765 124.069 121.300 0.007 0.000 2.357 136 W HA 0.499 5.162 4.660 0.005 0.000 0.317 136 W C 0.490 177.045 176.519 0.060 0.000 1.101 136 W CA -0.401 56.970 57.345 0.043 0.000 1.380 136 W CB 1.375 30.835 29.460 -0.001 0.000 1.266 136 W HN 0.829 nan 8.180 nan 0.000 0.419 137 A N 3.098 126.096 122.820 0.297 0.000 2.296 137 A HA 0.422 4.744 4.320 0.004 0.000 0.264 137 A C -0.417 177.406 177.584 0.398 0.000 1.097 137 A CA -0.055 52.114 52.037 0.221 0.000 0.811 137 A CB 0.027 19.099 19.000 0.121 0.000 1.072 137 A HN 0.765 nan 8.150 nan 0.000 0.495 138 W N -0.623 120.753 121.300 0.127 0.000 4.706 138 W HA -0.156 4.506 4.660 0.004 0.000 0.366 138 W C 0.719 177.270 176.519 0.053 0.000 1.382 138 W CA 0.745 58.140 57.345 0.084 0.000 0.832 138 W CB -1.829 27.742 29.460 0.186 0.000 2.504 138 W HN 0.634 nan 8.180 nan 0.000 1.403 139 S N 1.176 116.958 115.700 0.137 0.000 3.483 139 S HA 0.413 4.885 4.470 0.004 0.000 0.274 139 S C 0.758 175.389 174.600 0.053 0.000 1.289 139 S CA -0.189 58.069 58.200 0.096 0.000 0.938 139 S CB -0.001 63.209 63.200 0.017 0.000 1.453 139 S HN 0.167 nan 8.310 nan 0.000 0.494 140 S N 2.890 118.672 115.700 0.136 0.000 2.546 140 S HA 0.332 4.804 4.470 0.004 0.000 0.290 140 S C 1.455 176.145 174.600 0.149 0.000 1.290 140 S CA 0.424 58.703 58.200 0.131 0.000 1.069 140 S CB 0.445 63.858 63.200 0.356 0.000 0.846 140 S HN 1.244 nan 8.310 nan 0.000 0.495 141 G N 1.137 110.010 108.800 0.121 0.000 2.168 141 G HA2 -0.364 3.598 3.960 0.004 0.000 0.257 141 G HA3 -0.364 3.598 3.960 0.004 0.000 0.257 141 G C 1.000 175.991 174.900 0.152 0.000 0.997 141 G CA 0.397 45.617 45.100 0.200 0.000 0.708 141 G HN 1.247 nan 8.290 nan 0.000 0.520 142 C N -1.477 117.865 119.300 0.071 0.000 2.419 142 C HA 0.075 4.538 4.460 0.004 0.000 0.281 142 C C 1.985 176.993 174.990 0.029 0.000 1.336 142 C CA 1.126 60.177 59.018 0.054 0.000 1.770 142 C CB -0.442 27.308 27.740 0.016 0.000 1.929 142 C HN 0.477 nan 8.230 nan 0.000 0.509 143 D N 0.151 120.517 120.400 -0.056 0.000 2.310 143 D HA -0.082 4.560 4.640 0.004 0.000 0.212 143 D C 1.282 177.400 176.300 -0.304 0.000 0.965 143 D CA 1.108 54.993 54.000 -0.191 0.000 0.879 143 D CB -0.431 40.194 40.800 -0.292 0.000 0.921 143 D HN 0.724 nan 8.370 nan 0.000 0.510 144 H N -0.647 118.452 119.070 0.049 0.000 2.542 144 H HA 0.493 5.052 4.556 0.004 0.000 0.283 144 H C 0.308 175.651 175.328 0.024 0.000 1.059 144 H CA -0.071 55.998 56.048 0.035 0.000 1.162 144 H CB 0.767 30.552 29.762 0.039 0.000 1.539 144 H HN -0.015 nan 8.280 nan 0.000 0.543 145 A N 0.543 123.431 122.820 0.113 0.000 2.423 145 A HA 0.478 4.800 4.320 0.004 0.000 0.304 145 A C 0.713 178.352 177.584 0.091 0.000 1.104 145 A CA -0.314 51.792 52.037 0.115 0.000 0.757 145 A CB 1.164 20.246 19.000 0.137 0.000 1.313 145 A HN 0.175 nan 8.150 nan 0.000 0.423 146 S N -1.395 114.370 115.700 0.109 0.000 2.629 146 S HA 0.361 4.833 4.470 0.004 0.000 0.236 146 S C -0.542 173.961 174.600 -0.162 0.000 1.010 146 S CA -0.249 57.935 58.200 -0.027 0.000 0.981 146 S CB -0.269 62.910 63.200 -0.035 0.000 0.919 146 S HN 0.620 nan 8.310 nan 0.000 0.514 147 W N 0.207 121.494 121.300 -0.021 0.000 3.083 147 W HA 0.772 5.436 4.660 0.005 0.000 0.333 147 W C -0.618 175.885 176.519 -0.026 0.000 1.217 147 W CA -0.754 56.574 57.345 -0.030 0.000 1.170 147 W CB 1.620 30.951 29.460 -0.215 0.000 1.437 147 W HN 0.121 nan 8.180 nan 0.000 0.557 148 A N 1.084 123.998 122.820 0.158 0.000 2.435 148 A HA 0.844 5.166 4.320 0.004 0.000 0.304 148 A C -1.230 176.193 177.584 -0.269 0.000 1.064 148 A CA -0.862 51.062 52.037 -0.187 0.000 0.727 148 A CB 1.182 19.876 19.000 -0.511 0.000 1.284 148 A HN 0.928 nan 8.150 nan 0.000 0.415 149 V N 0.229 119.903 119.914 -0.400 0.000 2.370 149 V HA 0.777 4.899 4.120 0.004 0.000 0.283 149 V C -0.673 175.144 176.094 -0.461 0.000 1.023 149 V CA -0.503 61.573 62.300 -0.373 0.000 0.857 149 V CB 0.489 32.131 31.823 -0.302 0.000 0.985 149 V HN 0.645 nan 8.190 nan 0.000 0.443 150 L N 5.139 126.093 121.223 -0.449 0.000 2.349 150 L HA 0.779 5.121 4.340 0.004 0.000 0.278 150 L C 0.804 177.492 176.870 -0.304 0.000 0.996 150 L CA -0.515 53.839 54.840 -0.810 0.000 0.825 150 L CB 1.905 42.967 42.059 -1.661 0.000 1.243 150 L HN 0.867 nan 8.230 nan 0.000 0.412 151 G N 1.387 110.222 108.800 0.060 0.000 2.370 151 G HA2 0.635 4.598 3.960 0.004 0.000 0.272 151 G HA3 0.635 4.598 3.960 0.004 0.000 0.272 151 G C -0.124 175.010 174.900 0.391 0.000 1.208 151 G CA 0.066 45.432 45.100 0.443 0.000 0.856 151 G HN 0.824 nan 8.290 nan 0.000 0.500 152 G N 2.275 110.896 108.800 -0.298 0.000 2.523 152 G HA2 0.681 4.643 3.960 0.004 0.000 0.291 152 G HA3 0.681 4.643 3.960 0.004 0.000 0.291 152 G C -3.354 171.143 174.900 -0.672 0.000 1.450 152 G CA -0.846 44.081 45.100 -0.289 0.000 0.790 152 G HN 0.550 nan 8.290 nan 0.000 0.496 153 P HA 0.435 nan 4.420 nan 0.000 0.276 153 P C -0.242 177.100 177.300 0.071 0.000 1.244 153 P CA -0.318 62.724 63.100 -0.097 0.000 0.801 153 P CB 1.751 33.493 31.700 0.069 0.000 1.006 154 V N 3.502 123.454 119.914 0.063 0.000 2.465 154 V HA 0.185 4.307 4.120 0.004 0.000 0.279 154 V C 0.617 176.803 176.094 0.154 0.000 1.045 154 V CA -0.407 61.986 62.300 0.154 0.000 0.938 154 V CB 0.691 32.593 31.823 0.131 0.000 0.986 154 V HN 0.350 nan 8.190 nan 0.000 0.467 155 I N 5.283 125.957 120.570 0.173 0.000 2.321 155 I HA 0.511 4.684 4.170 0.004 0.000 0.291 155 I C -0.075 176.118 176.117 0.128 0.000 0.998 155 I CA -0.368 61.008 61.300 0.126 0.000 1.227 155 I CB 1.180 39.239 38.000 0.098 0.000 1.368 155 I HN 0.648 nan 8.210 nan 0.000 0.466 156 K N 3.944 124.404 120.400 0.100 0.000 2.507 156 K HA 0.456 4.779 4.320 0.004 0.000 0.251 156 K C 0.167 176.804 176.600 0.061 0.000 0.943 156 K CA 0.222 56.559 56.287 0.083 0.000 0.794 156 K CB 1.457 34.010 32.500 0.088 0.000 1.188 156 K HN 0.718 nan 8.250 nan 0.000 0.428 157 D N 2.309 122.739 120.400 0.049 0.000 2.702 157 D HA -0.155 4.488 4.640 0.004 0.000 0.233 157 D C 0.818 177.141 176.300 0.040 0.000 1.164 157 D CA 1.586 55.610 54.000 0.039 0.000 0.638 157 D CB -2.133 38.688 40.800 0.034 0.000 1.041 157 D HN 1.459 nan 8.370 nan 0.000 0.422 158 G N -1.723 107.104 108.800 0.044 0.000 2.143 158 G HA2 -0.183 3.780 3.960 0.004 0.000 0.248 158 G HA3 -0.183 3.780 3.960 0.004 0.000 0.248 158 G C 0.267 175.195 174.900 0.046 0.000 0.991 158 G CA 0.886 46.011 45.100 0.042 0.000 0.689 158 G HN 1.324 nan 8.290 nan 0.000 0.522 159 R N -0.146 120.386 120.500 0.054 0.000 2.725 159 R HA 0.497 4.840 4.340 0.004 0.000 0.277 159 R C -2.932 173.411 176.300 0.073 0.000 0.987 159 R CA -2.039 54.096 56.100 0.058 0.000 0.901 159 R CB 2.684 33.015 30.300 0.052 0.000 1.207 159 R HN 0.056 nan 8.270 nan 0.000 0.463 160 P HA 0.034 nan 4.420 nan 0.000 0.286 160 P C 0.567 177.925 177.300 0.097 0.000 1.321 160 P CA -0.157 63.001 63.100 0.096 0.000 0.790 160 P CB 1.131 32.896 31.700 0.109 0.000 0.897 161 V N -0.239 119.733 119.914 0.098 0.000 3.661 161 V HA 0.363 4.486 4.120 0.004 0.000 0.271 161 V C 0.243 176.393 176.094 0.093 0.000 1.315 161 V CA 0.552 62.906 62.300 0.089 0.000 1.072 161 V CB -0.253 31.620 31.823 0.083 0.000 0.830 161 V HN 0.341 nan 8.190 nan 0.000 0.443 162 D N -1.123 119.338 120.400 0.102 0.000 2.663 162 D HA 0.407 5.049 4.640 0.004 0.000 0.233 162 D C -1.869 174.510 176.300 0.133 0.000 1.240 162 D CA -0.417 53.646 54.000 0.106 0.000 0.774 162 D CB 2.252 43.083 40.800 0.051 0.000 1.443 162 D HN 0.061 nan 8.370 nan 0.000 0.441 163 F N 2.885 122.870 119.950 0.058 0.000 2.426 163 F HA 0.578 5.107 4.527 0.004 0.000 0.348 163 F C -0.310 175.562 175.800 0.121 0.000 1.124 163 F CA -0.304 57.758 58.000 0.104 0.000 1.008 163 F CB 0.938 40.013 39.000 0.125 0.000 1.139 163 F HN 0.221 nan 8.300 nan 0.000 0.452 164 V N 1.161 120.944 119.914 -0.220 0.000 3.158 164 V HA 0.719 4.841 4.120 0.004 0.000 0.311 164 V C -0.814 175.013 176.094 -0.445 0.000 1.181 164 V CA -0.844 61.216 62.300 -0.400 0.000 1.054 164 V CB 1.655 33.014 31.823 -0.773 0.000 1.085 164 V HN 0.598 nan 8.190 nan 0.000 0.446 165 S N 1.051 116.399 115.700 -0.587 0.000 2.454 165 S HA 0.772 5.245 4.470 0.004 0.000 0.306 165 S C -1.005 173.295 174.600 -0.501 0.000 1.100 165 S CA -0.156 57.835 58.200 -0.349 0.000 1.087 165 S CB 0.816 63.995 63.200 -0.036 0.000 1.019 165 S HN 0.529 nan 8.310 nan 0.000 0.480 166 F N 2.591 122.422 119.950 -0.199 0.000 2.405 166 F HA 0.431 4.961 4.527 0.004 0.000 0.355 166 F C 0.031 175.699 175.800 -0.220 0.000 1.121 166 F CA -0.970 56.896 58.000 -0.224 0.000 1.112 166 F CB 0.672 39.506 39.000 -0.277 0.000 1.126 166 F HN 0.320 nan 8.300 nan 0.000 0.481 167 L N 6.084 127.298 121.223 -0.015 0.000 2.257 167 L HA 0.582 4.925 4.340 0.004 0.000 0.290 167 L C -0.841 176.064 176.870 0.059 0.000 1.044 167 L CA -0.106 54.652 54.840 -0.137 0.000 0.810 167 L CB -0.037 41.752 42.059 -0.449 0.000 1.193 167 L HN 0.458 nan 8.230 nan 0.000 0.425 168 I N 7.333 127.978 120.570 0.125 0.000 2.498 168 I HA 0.474 4.647 4.170 0.004 0.000 0.290 168 I C -2.338 173.819 176.117 0.067 0.000 1.032 168 I CA -1.873 59.495 61.300 0.113 0.000 1.073 168 I CB 2.321 40.351 38.000 0.051 0.000 1.251 168 I HN 0.484 nan 8.210 nan 0.000 0.426 169 P HA 0.235 nan 4.420 nan 0.000 0.281 169 P C 0.153 176.977 177.300 -0.793 0.000 1.249 169 P CA -0.532 61.861 63.100 -1.179 0.000 0.810 169 P CB 1.413 32.190 31.700 -1.538 0.000 1.008 170 R N 1.712 121.637 120.500 -0.957 0.000 2.159 170 R HA -0.170 4.172 4.340 0.004 0.000 0.237 170 R C 2.092 177.842 176.300 -0.917 0.000 1.131 170 R CA 1.816 57.141 56.100 -1.293 0.000 0.982 170 R CB -0.333 29.508 30.300 -0.765 0.000 0.868 170 R HN 0.579 nan 8.270 nan 0.000 0.453 171 E N -0.619 119.216 120.200 -0.608 0.000 2.265 171 E HA -0.200 4.153 4.350 0.004 0.000 0.196 171 E C 0.319 176.727 176.600 -0.319 0.000 0.996 171 E CA 1.270 57.435 56.400 -0.391 0.000 0.832 171 E CB 0.002 29.522 29.700 -0.301 0.000 0.756 171 E HN 0.340 nan 8.360 nan 0.000 0.491 172 D N -0.245 119.944 120.400 -0.352 0.000 2.369 172 D HA 0.102 4.745 4.640 0.004 0.000 0.211 172 D C -0.372 175.906 176.300 -0.037 0.000 1.077 172 D CA 0.190 54.095 54.000 -0.160 0.000 0.842 172 D CB 0.216 40.958 40.800 -0.097 0.000 0.947 172 D HN 0.366 nan 8.370 nan 0.000 0.509 173 Y N -1.582 118.657 120.300 -0.101 0.000 2.644 173 Y HA 0.601 5.153 4.550 0.004 0.000 0.338 173 Y C -0.587 175.282 175.900 -0.052 0.000 1.119 173 Y CA -1.653 56.411 58.100 -0.059 0.000 1.060 173 Y CB 1.136 39.565 38.460 -0.051 0.000 1.294 173 Y HN -0.386 nan 8.280 nan 0.000 0.472 174 R N 1.806 122.450 120.500 0.240 0.000 2.589 174 R HA 0.698 5.041 4.340 0.004 0.000 0.293 174 R C -1.654 174.764 176.300 0.196 0.000 0.963 174 R CA -0.782 55.403 56.100 0.141 0.000 0.905 174 R CB 1.246 31.589 30.300 0.073 0.000 1.144 174 R HN 0.917 nan 8.270 nan 0.000 0.459 175 I N 3.681 124.335 120.570 0.140 0.000 2.312 175 I HA 0.179 4.351 4.170 0.004 0.000 0.290 175 I C -0.625 175.527 176.117 0.057 0.000 1.008 175 I CA -0.625 60.739 61.300 0.106 0.000 1.226 175 I CB 1.609 39.665 38.000 0.094 0.000 1.371 175 I HN 0.434 nan 8.210 nan 0.000 0.468 176 D N 5.361 125.790 120.400 0.048 0.000 2.274 176 D HA 0.101 4.743 4.640 0.004 0.000 0.239 176 D C -0.298 176.021 176.300 0.031 0.000 1.104 176 D CA -0.171 53.848 54.000 0.033 0.000 0.840 176 D CB 1.427 42.244 40.800 0.028 0.000 1.100 176 D HN 0.375 nan 8.370 nan 0.000 0.477 177 D N 2.128 122.547 120.400 0.031 0.000 2.374 177 D HA 0.049 4.691 4.640 0.004 0.000 0.240 177 D C 0.709 177.039 176.300 0.050 0.000 1.229 177 D CA -0.334 53.693 54.000 0.045 0.000 0.895 177 D CB 0.455 41.279 40.800 0.039 0.000 1.046 177 D HN 0.142 nan 8.370 nan 0.000 0.498 178 V N 2.188 122.145 119.914 0.072 0.000 3.398 178 V HA 0.324 4.446 4.120 0.004 0.000 0.298 178 V C 0.499 176.648 176.094 0.091 0.000 1.496 178 V CA -0.954 61.376 62.300 0.050 0.000 1.044 178 V CB -0.621 31.208 31.823 0.010 0.000 0.880 178 V HN 0.520 nan 8.190 nan 0.000 0.443 179 W N 3.137 124.377 121.300 -0.100 0.000 2.546 179 W HA 0.488 5.151 4.660 0.004 0.000 0.323 179 W C -0.167 176.300 176.519 -0.086 0.000 1.272 179 W CA 0.017 57.292 57.345 -0.116 0.000 1.404 179 W CB 0.756 30.174 29.460 -0.070 0.000 1.411 179 W HN 0.439 nan 8.180 nan 0.000 0.480 180 N N 5.796 124.212 118.700 -0.473 0.000 2.751 180 N HA 0.207 4.949 4.740 0.004 0.000 0.234 180 N C -1.684 173.535 175.510 -0.486 0.000 1.403 180 N CA -0.249 52.574 53.050 -0.378 0.000 0.747 180 N CB 0.242 38.613 38.487 -0.194 0.000 1.326 180 N HN 0.136 nan 8.380 nan 0.000 0.532 181 V N -1.375 118.144 119.914 -0.658 0.000 3.141 181 V HA 0.598 4.720 4.120 0.004 0.000 0.312 181 V C 0.805 176.676 176.094 -0.372 0.000 1.157 181 V CA -0.800 61.153 62.300 -0.578 0.000 1.041 181 V CB 1.263 32.538 31.823 -0.914 0.000 1.071 181 V HN -0.075 nan 8.190 nan 0.000 0.441 182 V N 0.784 120.537 119.914 -0.268 0.000 3.129 182 V HA 0.498 4.620 4.120 0.004 0.000 0.259 182 V C 0.888 176.874 176.094 -0.180 0.000 1.116 182 V CA 1.837 64.021 62.300 -0.194 0.000 1.127 182 V CB -0.066 31.652 31.823 -0.174 0.000 0.742 182 V HN 1.369 nan 8.190 nan 0.000 0.474 183 G N -2.049 106.639 108.800 -0.185 0.000 2.695 183 G HA2 0.491 4.454 3.960 0.004 0.000 0.290 183 G HA3 0.491 4.454 3.960 0.004 0.000 0.290 183 G C -0.348 174.507 174.900 -0.073 0.000 1.410 183 G CA -0.491 44.529 45.100 -0.134 0.000 0.844 183 G HN 0.174 nan 8.290 nan 0.000 0.478 184 L N -0.495 120.708 121.223 -0.034 0.000 3.737 184 L HA -0.251 4.091 4.340 0.004 0.000 0.418 184 L C 2.342 179.393 176.870 0.301 0.000 1.216 184 L CA 0.229 55.105 54.840 0.060 0.000 0.915 184 L CB -0.744 41.274 42.059 -0.068 0.000 1.834 184 L HN 0.715 nan 8.230 nan 0.000 0.943 185 R N 0.221 120.815 120.500 0.156 0.000 2.105 185 R HA -0.127 4.215 4.340 0.004 0.000 0.239 185 R C 2.114 178.630 176.300 0.361 0.000 1.135 185 R CA 1.558 57.769 56.100 0.184 0.000 0.967 185 R CB -0.258 30.053 30.300 0.018 0.000 0.861 185 R HN 0.603 nan 8.270 nan 0.000 0.442 186 G N 0.063 109.006 108.800 0.238 0.000 2.848 186 G HA2 -0.173 3.789 3.960 0.004 0.000 0.208 186 G HA3 -0.173 3.789 3.960 0.004 0.000 0.208 186 G C 1.316 176.342 174.900 0.210 0.000 1.152 186 G CA 0.884 46.104 45.100 0.201 0.000 0.789 186 G HN 0.429 nan 8.290 nan 0.000 0.531 187 T N -2.412 112.285 114.554 0.238 0.000 3.055 187 T HA 0.268 4.620 4.350 0.004 0.000 0.265 187 T C 1.855 176.492 174.700 -0.105 0.000 1.111 187 T CA 0.839 63.007 62.100 0.113 0.000 1.118 187 T CB -0.192 68.754 68.868 0.130 0.000 0.909 187 T HN 1.162 nan 8.240 nan 0.000 0.501 188 G N 1.344 109.995 108.800 -0.250 0.000 2.371 188 G HA2 -0.237 3.726 3.960 0.004 0.000 0.299 188 G HA3 -0.237 3.726 3.960 0.004 0.000 0.299 188 G C 0.126 174.701 174.900 -0.541 0.000 1.014 188 G CA 0.223 45.150 45.100 -0.288 0.000 1.097 188 G HN 0.612 nan 8.290 nan 0.000 0.512 189 S N 0.295 115.177 115.700 -1.363 0.000 4.120 189 S HA 0.238 4.710 4.470 0.004 0.000 0.196 189 S C 1.023 175.289 174.600 -0.557 0.000 1.447 189 S CA -0.261 57.351 58.200 -0.980 0.000 0.939 189 S CB -0.065 62.294 63.200 -1.402 0.000 1.496 189 S HN 0.712 nan 8.310 nan 0.000 0.460 190 N N 0.800 119.353 118.700 -0.245 0.000 2.366 190 N HA 0.290 5.032 4.740 0.004 0.000 0.277 190 N C -0.170 175.321 175.510 -0.031 0.000 1.275 190 N CA -0.201 52.806 53.050 -0.072 0.000 0.964 190 N CB 0.439 38.914 38.487 -0.021 0.000 1.167 190 N HN 0.120 nan 8.380 nan 0.000 0.568 191 T N 0.508 115.066 114.554 0.007 0.000 2.797 191 T HA 0.358 4.711 4.350 0.004 0.000 0.279 191 T C -0.686 174.044 174.700 0.051 0.000 0.991 191 T CA -0.561 61.562 62.100 0.039 0.000 0.979 191 T CB 1.082 69.968 68.868 0.030 0.000 0.943 191 T HN 0.029 nan 8.240 nan 0.000 0.444 192 V N 4.635 124.586 119.914 0.061 0.000 2.348 192 V HA 0.339 4.461 4.120 0.004 0.000 0.270 192 V C -0.040 176.120 176.094 0.110 0.000 1.037 192 V CA -0.566 61.728 62.300 -0.011 0.000 0.872 192 V CB 1.231 32.891 31.823 -0.271 0.000 1.002 192 V HN 0.677 nan 8.190 nan 0.000 0.464 193 V N 6.344 126.331 119.914 0.123 0.000 2.398 193 V HA 0.498 4.620 4.120 0.004 0.000 0.286 193 V C -0.172 176.020 176.094 0.162 0.000 1.026 193 V CA -0.481 61.898 62.300 0.132 0.000 0.868 193 V CB 1.902 33.776 31.823 0.085 0.000 0.982 193 V HN 0.582 nan 8.190 nan 0.000 0.443 194 V N 4.772 124.789 119.914 0.172 0.000 2.444 194 V HA 0.506 4.628 4.120 0.004 0.000 0.294 194 V C -0.398 175.752 176.094 0.093 0.000 1.022 194 V CA -0.606 61.793 62.300 0.164 0.000 0.850 194 V CB 1.819 33.787 31.823 0.243 0.000 0.992 194 V HN 0.947 nan 8.190 nan 0.000 0.426 195 E N 3.080 123.318 120.200 0.064 0.000 2.220 195 E HA 0.363 4.715 4.350 0.004 0.000 0.256 195 E C -0.781 175.836 176.600 0.029 0.000 0.881 195 E CA -0.539 55.881 56.400 0.034 0.000 0.766 195 E CB 1.369 31.084 29.700 0.026 0.000 1.187 195 E HN 0.776 nan 8.360 nan 0.000 0.419 196 D N 1.880 122.294 120.400 0.023 0.000 2.697 196 D HA -0.162 4.480 4.640 0.004 0.000 0.238 196 D C -1.395 174.932 176.300 0.046 0.000 1.152 196 D CA 0.525 54.542 54.000 0.029 0.000 0.666 196 D CB -0.670 40.144 40.800 0.023 0.000 1.037 196 D HN 0.134 nan 8.370 nan 0.000 0.423 197 V N 2.063 122.002 119.914 0.042 0.000 2.427 197 V HA 0.428 4.550 4.120 0.004 0.000 0.286 197 V C 0.458 176.604 176.094 0.086 0.000 1.034 197 V CA -0.913 61.421 62.300 0.056 0.000 0.893 197 V CB 1.280 33.119 31.823 0.026 0.000 0.982 197 V HN 0.256 nan 8.190 nan 0.000 0.452 198 F N 6.334 126.283 119.950 -0.002 0.000 2.438 198 F HA 0.527 5.056 4.527 0.004 0.000 0.356 198 F C -0.105 175.714 175.800 0.032 0.000 1.099 198 F CA -0.160 57.849 58.000 0.015 0.000 1.185 198 F CB 0.905 39.911 39.000 0.011 0.000 1.115 198 F HN 0.233 nan 8.300 nan 0.000 0.526 199 V N 8.797 128.257 119.914 -0.757 0.000 2.407 199 V HA 0.361 4.484 4.120 0.004 0.000 0.291 199 V C -2.089 173.483 176.094 -0.870 0.000 1.018 199 V CA -1.811 60.141 62.300 -0.580 0.000 0.842 199 V CB 1.369 33.103 31.823 -0.149 0.000 0.996 199 V HN 0.651 nan 8.190 nan 0.000 0.426 200 P HA 0.143 nan 4.420 nan 0.000 0.272 200 P C 0.914 178.110 177.300 -0.174 0.000 1.223 200 P CA 0.005 62.849 63.100 -0.426 0.000 0.784 200 P CB 0.945 32.584 31.700 -0.102 0.000 0.923 201 T N 0.806 115.360 114.554 0.002 0.000 2.685 201 T HA -0.222 4.130 4.350 0.004 0.000 0.268 201 T C 1.607 176.345 174.700 0.064 0.000 1.034 201 T CA 2.011 64.172 62.100 0.103 0.000 1.149 201 T CB -1.118 67.801 68.868 0.084 0.000 0.860 201 T HN 0.649 nan 8.240 nan 0.000 0.449 202 H N 0.887 119.987 119.070 0.049 0.000 2.545 202 H HA 0.094 4.652 4.556 0.004 0.000 0.282 202 H C 1.427 176.781 175.328 0.042 0.000 1.020 202 H CA 0.681 56.745 56.048 0.027 0.000 1.243 202 H CB -0.228 29.545 29.762 0.019 0.000 1.377 202 H HN 0.305 nan 8.280 nan 0.000 0.581 203 R N 1.021 121.308 120.500 -0.356 0.000 2.515 203 R HA 0.322 4.664 4.340 0.004 0.000 0.294 203 R C -0.625 175.697 176.300 0.037 0.000 1.021 203 R CA -0.124 55.874 56.100 -0.171 0.000 1.081 203 R CB 1.068 31.185 30.300 -0.306 0.000 1.263 203 R HN 0.029 nan 8.270 nan 0.000 0.557 204 V N 1.646 121.535 119.914 -0.041 0.000 2.588 204 V HA 0.361 4.484 4.120 0.004 0.000 0.304 204 V C -1.085 174.740 176.094 -0.448 0.000 1.042 204 V CA -1.012 61.148 62.300 -0.234 0.000 0.877 204 V CB 2.234 33.879 31.823 -0.295 0.000 0.996 204 V HN 0.008 nan 8.190 nan 0.000 0.425 205 L N 3.957 124.725 121.223 -0.759 0.000 2.406 205 L HA 0.675 5.017 4.340 0.004 0.000 0.272 205 L C 0.003 176.424 176.870 -0.748 0.000 0.980 205 L CA 0.151 54.438 54.840 -0.921 0.000 0.831 205 L CB 2.097 43.136 42.059 -1.700 0.000 1.253 205 L HN 0.687 nan 8.230 nan 0.000 0.406 206 S N 3.500 118.899 115.700 -0.501 0.000 2.528 206 S HA 0.276 4.748 4.470 0.004 0.000 0.277 206 S C 1.093 175.502 174.600 -0.317 0.000 1.297 206 S CA -0.113 57.891 58.200 -0.326 0.000 1.052 206 S CB 0.217 63.320 63.200 -0.163 0.000 0.917 206 S HN 0.518 nan 8.310 nan 0.000 0.492 207 F N 3.575 123.443 119.950 -0.136 0.000 2.269 207 F HA 0.016 4.545 4.527 0.004 0.000 0.301 207 F C 2.289 178.044 175.800 -0.075 0.000 1.082 207 F CA 1.121 59.037 58.000 -0.140 0.000 1.360 207 F CB -0.123 38.820 39.000 -0.094 0.000 1.041 207 F HN 0.610 nan 8.300 nan 0.000 0.512 208 K N 0.361 120.834 120.400 0.123 0.000 2.057 208 K HA -0.027 4.295 4.320 0.004 0.000 0.207 208 K C 1.429 178.039 176.600 0.016 0.000 1.049 208 K CA 0.704 57.032 56.287 0.069 0.000 0.931 208 K CB -0.485 32.049 32.500 0.058 0.000 0.714 208 K HN 0.195 nan 8.250 nan 0.000 0.440 212 N N 2.157 120.886 118.700 0.049 0.000 2.398 212 N HA 0.379 5.121 4.740 0.004 0.000 0.188 212 N C 0.589 176.116 175.510 0.028 0.000 1.122 212 N CA 0.579 53.648 53.050 0.031 0.000 0.866 212 N CB -0.220 38.275 38.487 0.013 0.000 0.970 212 N HN 0.582 nan 8.380 nan 0.000 0.462 213 L N 0.275 121.519 121.223 0.035 0.000 3.865 213 L HA -0.233 4.109 4.340 0.004 0.000 0.408 213 L C 0.372 177.244 176.870 0.003 0.000 1.209 213 L CA 0.939 55.798 54.840 0.031 0.000 0.940 213 L CB -2.237 39.851 42.059 0.047 0.000 1.971 213 L HN 0.283 nan 8.230 nan 0.000 0.899 214 T N -4.139 110.404 114.554 -0.019 0.000 3.084 214 T HA 0.565 4.917 4.350 0.004 0.000 0.270 214 T C 0.834 175.492 174.700 -0.069 0.000 1.008 214 T CA 0.351 62.430 62.100 -0.035 0.000 0.900 214 T CB 0.537 69.387 68.868 -0.030 0.000 1.084 214 T HN 0.468 nan 8.240 nan 0.000 0.538 215 A N 3.638 126.401 122.820 -0.095 0.000 2.540 215 A HA 0.417 4.740 4.320 0.004 0.000 0.239 215 A C -0.445 177.063 177.584 -0.127 0.000 1.061 215 A CA -1.005 50.939 52.037 -0.155 0.000 0.758 215 A CB 0.232 19.111 19.000 -0.202 0.000 0.991 215 A HN 0.289 nan 8.150 nan 0.000 0.502 216 P HA -0.115 nan 4.420 nan 0.000 0.220 216 P C 1.512 178.766 177.300 -0.077 0.000 1.148 216 P CA 1.693 64.741 63.100 -0.087 0.000 0.803 216 P CB -0.072 31.582 31.700 -0.077 0.000 0.782 217 G N 0.553 109.291 108.800 -0.103 0.000 2.470 217 G HA2 -0.190 3.772 3.960 0.004 0.000 0.220 217 G HA3 -0.190 3.772 3.960 0.004 0.000 0.220 217 G C 1.592 176.425 174.900 -0.111 0.000 1.121 217 G CA 0.241 45.281 45.100 -0.100 0.000 0.766 217 G HN 0.246 nan 8.290 nan 0.000 0.553 218 L N 0.027 121.192 121.223 -0.096 0.000 2.265 218 L HA -0.034 4.309 4.340 0.004 0.000 0.215 218 L C 2.627 179.479 176.870 -0.029 0.000 1.117 218 L CA 1.053 55.861 54.840 -0.053 0.000 0.782 218 L CB -0.284 41.759 42.059 -0.027 0.000 0.914 218 L HN 0.365 nan 8.230 nan 0.000 0.441 219 E N 0.637 120.815 120.200 -0.036 0.000 2.058 219 E HA -0.224 4.129 4.350 0.004 0.000 0.194 219 E C 2.284 178.867 176.600 -0.028 0.000 0.997 219 E CA 1.300 57.684 56.400 -0.026 0.000 0.801 219 E CB 0.185 29.868 29.700 -0.028 0.000 0.746 219 E HN 0.431 nan 8.360 nan 0.000 0.450 220 R N -0.336 120.140 120.500 -0.040 0.000 2.175 220 R HA 0.110 4.452 4.340 0.004 0.000 0.202 220 R C 0.217 176.486 176.300 -0.051 0.000 1.018 220 R CA 0.079 56.149 56.100 -0.051 0.000 1.029 220 R CB 0.132 30.391 30.300 -0.069 0.000 0.959 220 R HN 0.048 nan 8.270 nan 0.000 0.480 221 N N 1.922 120.584 118.700 -0.064 0.000 2.868 221 N HA 0.009 4.752 4.740 0.004 0.000 0.252 221 N C 0.443 175.993 175.510 0.066 0.000 1.130 221 N CA 0.241 53.255 53.050 -0.060 0.000 1.026 221 N CB 1.364 39.669 38.487 -0.305 0.000 1.335 221 N HN 0.190 nan 8.380 nan 0.000 0.516 222 T N -2.599 112.014 114.554 0.098 0.000 3.129 222 T HA 0.203 4.555 4.350 0.004 0.000 0.251 222 T C 0.939 175.736 174.700 0.162 0.000 1.117 222 T CA -0.453 61.712 62.100 0.109 0.000 1.034 222 T CB 0.177 69.079 68.868 0.055 0.000 0.968 222 T HN 0.317 nan 8.240 nan 0.000 0.526 223 A N 3.519 126.489 122.820 0.249 0.000 2.531 223 A HA 0.385 4.708 4.320 0.004 0.000 0.236 223 A C -0.375 177.302 177.584 0.155 0.000 1.062 223 A CA -1.129 51.021 52.037 0.189 0.000 0.760 223 A CB 0.213 19.320 19.000 0.178 0.000 0.995 223 A HN 0.257 nan 8.150 nan 0.000 0.501 224 P HA -0.138 nan 4.420 nan 0.000 0.220 224 P C 1.486 178.926 177.300 0.232 0.000 1.148 224 P CA 1.197 64.369 63.100 0.120 0.000 0.803 224 P CB -0.041 31.640 31.700 -0.032 0.000 0.782 225 V N -0.696 119.353 119.914 0.226 0.000 2.469 225 V HA -0.235 3.887 4.120 0.004 0.000 0.251 225 V C 1.907 178.122 176.094 0.202 0.000 1.064 225 V CA 1.761 64.141 62.300 0.133 0.000 1.066 225 V CB -1.401 30.307 31.823 -0.192 0.000 0.667 225 V HN -0.020 nan 8.190 nan 0.000 0.461 226 Y N 0.600 121.079 120.300 0.298 0.000 2.578 226 Y HA 0.187 4.740 4.550 0.005 0.000 0.297 226 Y C 1.518 177.510 175.900 0.153 0.000 1.176 226 Y CA 0.086 58.238 58.100 0.086 0.000 1.315 226 Y CB -0.392 37.991 38.460 -0.128 0.000 1.031 226 Y HN 0.303 nan 8.280 nan 0.000 0.524 230 W N 2.487 123.890 121.300 0.172 0.000 2.342 230 W HA -0.113 4.548 4.660 0.003 0.000 0.297 230 W C 1.308 177.826 176.519 -0.002 0.000 1.213 230 W CA 2.012 59.412 57.345 0.092 0.000 1.251 230 W CB -0.262 29.306 29.460 0.180 0.000 1.136 230 W HN 0.696 nan 8.180 nan 0.000 0.526 231 G N -0.222 108.609 108.800 0.053 0.000 2.470 231 G HA2 -0.224 3.738 3.960 0.004 0.000 0.220 231 G HA3 -0.224 3.738 3.960 0.004 0.000 0.220 231 G C 1.335 176.116 174.900 -0.199 0.000 1.121 231 G CA 1.511 46.549 45.100 -0.103 0.000 0.766 231 G HN 0.287 nan 8.290 nan 0.000 0.553 232 T N 0.750 115.200 114.554 -0.174 0.000 3.004 232 T HA 0.139 4.492 4.350 0.004 0.000 0.243 232 T C 2.376 176.888 174.700 -0.313 0.000 1.020 232 T CA 0.031 61.998 62.100 -0.221 0.000 1.145 232 T CB 0.049 68.834 68.868 -0.139 0.000 0.876 232 T HN 0.034 nan 8.240 nan 0.000 0.449 233 I N 1.465 121.835 120.570 -0.332 0.000 2.127 233 I HA -0.187 3.985 4.170 0.004 0.000 0.241 233 I C 2.442 178.260 176.117 -0.498 0.000 1.075 233 I CA 1.952 62.995 61.300 -0.429 0.000 1.334 233 I CB -1.030 36.502 38.000 -0.779 0.000 1.040 233 I HN 0.331 nan 8.210 nan 0.000 0.405 234 H N 1.753 120.228 119.070 -0.991 0.000 2.307 234 H HA -0.036 4.522 4.556 0.004 0.000 0.303 234 H C -0.840 174.116 175.328 -0.620 0.000 1.073 234 H CA 1.508 56.922 56.048 -1.057 0.000 1.338 234 H CB -1.344 27.230 29.762 -1.981 0.000 1.389 234 H HN 0.087 nan 8.280 nan 0.000 0.503 235 P HA -0.080 nan 4.420 nan 0.000 0.218 235 P C 1.351 178.344 177.300 -0.511 0.000 1.149 235 P CA 2.047 64.775 63.100 -0.621 0.000 0.817 235 P CB -0.032 31.409 31.700 -0.433 0.000 0.785 236 T N -1.709 112.548 114.554 -0.494 0.000 2.833 236 T HA -0.122 4.230 4.350 0.004 0.000 0.269 236 T C 1.827 176.228 174.700 -0.498 0.000 1.054 236 T CA 1.650 63.398 62.100 -0.586 0.000 1.135 236 T CB -1.158 67.188 68.868 -0.870 0.000 0.869 236 T HN 0.154 nan 8.240 nan 0.000 0.466 237 T N 1.588 115.974 114.554 -0.281 0.000 2.962 237 T HA 0.019 4.371 4.350 0.004 0.000 0.270 237 T C 1.653 176.171 174.700 -0.302 0.000 1.088 237 T CA 0.525 62.600 62.100 -0.042 0.000 1.127 237 T CB -0.171 68.766 68.868 0.115 0.000 0.883 237 T HN 0.193 nan 8.240 nan 0.000 0.493 238 I N 0.162 120.435 120.570 -0.495 0.000 2.703 238 I HA 0.077 4.249 4.170 0.004 0.000 0.259 238 I C 2.496 178.463 176.117 -0.250 0.000 1.151 238 I CA 0.784 61.726 61.300 -0.596 0.000 1.470 238 I CB -1.112 36.398 38.000 -0.816 0.000 1.112 238 I HN 0.202 nan 8.210 nan 0.000 0.437 239 S N 0.817 116.382 115.700 -0.225 0.000 2.406 239 S HA 0.058 4.531 4.470 0.004 0.000 0.224 239 S C 2.283 176.864 174.600 -0.032 0.000 1.030 239 S CA 0.990 59.126 58.200 -0.108 0.000 0.958 239 S CB -0.017 63.086 63.200 -0.161 0.000 0.811 239 S HN 0.371 nan 8.310 nan 0.000 0.489 240 A N 2.916 125.694 122.820 -0.070 0.000 1.892 240 A HA -0.045 4.278 4.320 0.004 0.000 0.218 240 A C 0.034 177.671 177.584 0.089 0.000 1.188 240 A CA 1.853 53.929 52.037 0.064 0.000 0.631 240 A CB -1.853 17.210 19.000 0.105 0.000 0.822 240 A HN 0.599 nan 8.150 nan 0.000 0.447 241 P HA -0.092 nan 4.420 nan 0.000 0.219 241 P C 1.470 178.874 177.300 0.173 0.000 1.150 241 P CA 0.957 64.138 63.100 0.135 0.000 0.814 241 P CB -0.197 31.641 31.700 0.230 0.000 0.787 242 I N -0.744 119.936 120.570 0.183 0.000 2.315 242 I HA -0.161 4.012 4.170 0.004 0.000 0.248 242 I C 2.447 178.611 176.117 0.080 0.000 1.117 242 I CA 1.014 62.395 61.300 0.135 0.000 1.404 242 I CB -0.752 37.316 38.000 0.114 0.000 1.071 242 I HN -0.207 nan 8.210 nan 0.000 0.419 243 V N 1.197 121.168 119.914 0.096 0.000 2.332 243 V HA -0.152 3.971 4.120 0.004 0.000 0.248 243 V C 1.742 177.928 176.094 0.153 0.000 1.055 243 V CA 1.515 63.890 62.300 0.126 0.000 1.038 243 V CB -1.529 30.442 31.823 0.246 0.000 0.651 243 V HN 0.521 nan 8.190 nan 0.000 0.450 247 Y N 1.297 121.472 120.300 -0.209 0.000 2.165 247 Y HA -0.060 4.493 4.550 0.005 0.000 0.286 247 Y C 2.720 178.513 175.900 -0.179 0.000 1.155 247 Y CA 2.260 60.259 58.100 -0.168 0.000 1.164 247 Y CB -0.281 38.053 38.460 -0.211 0.000 0.978 247 Y HN 0.426 nan 8.280 nan 0.000 0.513 248 G N -0.713 107.945 108.800 -0.236 0.000 2.418 248 G HA2 -0.246 3.716 3.960 0.004 0.000 0.217 248 G HA3 -0.246 3.716 3.960 0.004 0.000 0.217 248 G C 1.896 176.494 174.900 -0.503 0.000 1.158 248 G CA 0.946 45.795 45.100 -0.417 0.000 0.771 248 G HN 0.476 nan 8.290 nan 0.000 0.545 249 A N -0.003 122.320 122.820 -0.828 0.000 1.902 249 A HA -0.063 4.259 4.320 0.004 0.000 0.217 249 A C 2.208 179.796 177.584 0.007 0.000 1.181 249 A CA 1.760 53.633 52.037 -0.273 0.000 0.623 249 A CB -0.741 18.158 19.000 -0.169 0.000 0.818 249 A HN 0.479 nan 8.150 nan 0.000 0.443 250 Y N 1.130 121.364 120.300 -0.110 0.000 2.097 250 Y HA -0.251 4.302 4.550 0.004 0.000 0.282 250 Y C 1.955 177.891 175.900 0.059 0.000 1.152 250 Y CA 2.232 60.322 58.100 -0.016 0.000 1.136 250 Y CB -0.186 38.219 38.460 -0.092 0.000 0.975 250 Y HN 0.354 nan 8.280 nan 0.000 0.498 251 D N 0.011 120.482 120.400 0.119 0.000 2.117 251 D HA -0.164 4.478 4.640 0.004 0.000 0.197 251 D C 2.276 178.592 176.300 0.028 0.000 0.987 251 D CA 1.431 55.471 54.000 0.067 0.000 0.829 251 D CB -0.626 40.247 40.800 0.122 0.000 0.961 251 D HN 0.490 nan 8.370 nan 0.000 0.460 252 A N 0.335 123.209 122.820 0.090 0.000 1.902 252 A HA -0.235 4.087 4.320 0.004 0.000 0.217 252 A C 2.075 179.726 177.584 0.112 0.000 1.181 252 A CA 2.007 54.123 52.037 0.133 0.000 0.623 252 A CB -0.879 18.266 19.000 0.241 0.000 0.818 252 A HN 0.337 nan 8.150 nan 0.000 0.443 253 H N -0.443 118.617 119.070 -0.017 0.000 2.326 253 H HA -0.051 4.508 4.556 0.004 0.000 0.301 253 H C 1.801 177.076 175.328 -0.090 0.000 1.081 253 H CA 2.015 58.044 56.048 -0.032 0.000 1.334 253 H CB -0.215 29.504 29.762 -0.072 0.000 1.385 253 H HN 0.110 nan 8.280 nan 0.000 0.504 254 V N 0.738 120.489 119.914 -0.272 0.000 2.427 254 V HA -0.203 3.920 4.120 0.004 0.000 0.248 254 V C 2.411 178.389 176.094 -0.194 0.000 1.051 254 V CA 2.084 64.184 62.300 -0.333 0.000 1.048 254 V CB -0.516 31.055 31.823 -0.419 0.000 0.666 254 V HN 0.547 nan 8.190 nan 0.000 0.456 255 E N -0.066 120.073 120.200 -0.102 0.000 2.038 255 E HA -0.324 4.029 4.350 0.004 0.000 0.195 255 E C 2.232 178.807 176.600 -0.042 0.000 1.000 255 E CA 1.983 58.357 56.400 -0.044 0.000 0.803 255 E CB -0.204 29.503 29.700 0.012 0.000 0.750 255 E HN 0.777 nan 8.360 nan 0.000 0.448 256 H N -0.047 118.957 119.070 -0.110 0.000 2.293 256 H HA -0.086 4.472 4.556 0.004 0.000 0.300 256 H C 2.179 177.419 175.328 -0.147 0.000 1.082 256 H CA 2.135 58.123 56.048 -0.100 0.000 1.308 256 H CB 0.092 29.814 29.762 -0.067 0.000 1.375 256 H HN 0.125 nan 8.280 nan 0.000 0.495 257 Q N -0.230 119.415 119.800 -0.258 0.000 2.079 257 Q HA -0.046 4.296 4.340 0.004 0.000 0.200 257 Q C 2.669 178.523 176.000 -0.243 0.000 0.974 257 Q CA 1.210 56.826 55.803 -0.311 0.000 0.840 257 Q CB -0.951 27.530 28.738 -0.428 0.000 0.898 257 Q HN 0.656 nan 8.270 nan 0.000 0.430 258 G N 1.583 110.260 108.800 -0.204 0.000 2.469 258 G HA2 -0.290 3.672 3.960 0.004 0.000 0.219 258 G HA3 -0.290 3.672 3.960 0.004 0.000 0.219 258 G C 1.520 176.333 174.900 -0.145 0.000 1.150 258 G CA 0.965 45.977 45.100 -0.148 0.000 0.763 258 G HN 0.312 nan 8.290 nan 0.000 0.561 259 K N 0.057 120.359 120.400 -0.163 0.000 2.032 259 K HA -0.064 4.258 4.320 0.004 0.000 0.209 259 K C 2.767 179.260 176.600 -0.178 0.000 1.048 259 K CA 1.062 57.254 56.287 -0.157 0.000 0.927 259 K CB -0.192 32.212 32.500 -0.159 0.000 0.712 259 K HN 0.199 nan 8.250 nan 0.000 0.441 260 R N 0.472 120.833 120.500 -0.233 0.000 2.083 260 R HA -0.119 4.223 4.340 0.004 0.000 0.237 260 R C 2.363 178.574 176.300 -0.149 0.000 1.137 260 R CA 1.420 57.400 56.100 -0.201 0.000 0.951 260 R CB -0.524 29.637 30.300 -0.231 0.000 0.851 260 R HN 0.020 nan 8.270 nan 0.000 0.434 261 V N 0.904 120.733 119.914 -0.142 0.000 2.358 261 V HA -0.194 3.928 4.120 0.004 0.000 0.246 261 V C 2.248 178.267 176.094 -0.126 0.000 1.047 261 V CA 1.613 63.844 62.300 -0.115 0.000 1.035 261 V CB -0.441 31.322 31.823 -0.101 0.000 0.658 261 V HN 0.292 nan 8.190 nan 0.000 0.452 262 R N 0.050 120.471 120.500 -0.131 0.000 2.189 262 R HA 0.008 4.350 4.340 0.004 0.000 0.223 262 R C 2.089 178.279 176.300 -0.183 0.000 1.092 262 R CA 1.194 57.212 56.100 -0.136 0.000 0.989 262 R CB -0.315 29.918 30.300 -0.112 0.000 0.876 262 R HN 0.516 nan 8.270 nan 0.000 0.457 263 A N 0.842 123.547 122.820 -0.191 0.000 2.218 263 A HA 0.314 4.636 4.320 0.004 0.000 0.209 263 A C 0.926 178.296 177.584 -0.357 0.000 1.168 263 A CA 0.131 52.021 52.037 -0.246 0.000 0.804 263 A CB 0.141 19.047 19.000 -0.157 0.000 0.834 263 A HN 0.272 nan 8.150 nan 0.000 0.482 264 A N -0.563 122.097 122.820 -0.267 0.000 2.386 264 A HA 0.595 4.917 4.320 0.004 0.000 0.248 264 A C -0.411 176.975 177.584 -0.330 0.000 1.082 264 A CA 0.001 51.919 52.037 -0.197 0.000 0.789 264 A CB -0.067 18.883 19.000 -0.084 0.000 1.025 264 A HN 0.267 nan 8.150 nan 0.000 0.490 265 F N 0.027 119.964 119.950 -0.022 0.000 2.541 265 F HA 0.602 5.132 4.527 0.004 0.000 0.331 265 F C 1.110 176.901 175.800 -0.015 0.000 1.057 265 F CA 0.152 58.142 58.000 -0.017 0.000 0.975 265 F CB 1.374 40.365 39.000 -0.015 0.000 1.246 265 F HN 0.812 nan 8.300 nan 0.000 0.484 270 A N 1.772 124.597 122.820 0.008 0.000 2.125 270 A HA 0.223 4.545 4.320 0.004 0.000 0.219 270 A C 2.472 180.043 177.584 -0.023 0.000 1.156 270 A CA 2.722 54.752 52.037 -0.013 0.000 0.671 270 A CB -0.881 18.099 19.000 -0.034 0.000 0.794 270 A HN 1.100 nan 8.150 nan 0.000 0.459 271 K N -0.494 119.899 120.400 -0.011 0.000 2.026 271 K HA -0.107 4.215 4.320 0.004 0.000 0.208 271 K C 0.746 177.334 176.600 -0.020 0.000 1.048 271 K CA 1.622 57.897 56.287 -0.020 0.000 0.929 271 K CB -0.262 32.239 32.500 0.002 0.000 0.713 271 K HN 0.458 nan 8.250 nan 0.000 0.439 272 D N 0.318 120.714 120.400 -0.007 0.000 2.405 272 D HA 0.178 4.821 4.640 0.004 0.000 0.264 272 D C -2.003 174.296 176.300 -0.002 0.000 1.240 272 D CA -0.511 53.481 54.000 -0.013 0.000 0.893 272 D CB 0.494 41.287 40.800 -0.012 0.000 1.198 272 D HN 0.243 nan 8.370 nan 0.000 0.514 273 D N 3.661 124.060 120.400 -0.002 0.000 2.462 273 D HA 0.256 4.899 4.640 0.004 0.000 0.249 273 D C -1.613 174.673 176.300 -0.023 0.000 1.117 273 D CA -2.018 52.000 54.000 0.031 0.000 0.900 273 D CB 1.976 42.813 40.800 0.061 0.000 1.039 273 D HN 0.109 nan 8.370 nan 0.000 0.516 274 P HA -0.059 nan 4.420 nan 0.000 0.222 274 P C 1.392 178.506 177.300 -0.309 0.000 1.153 274 P CA 0.427 63.364 63.100 -0.271 0.000 0.798 274 P CB 0.108 31.548 31.700 -0.433 0.000 0.796 275 F N 1.482 121.436 119.950 0.006 0.000 2.134 275 F HA -0.070 4.459 4.527 0.004 0.000 0.299 275 F C 2.734 178.545 175.800 0.018 0.000 1.097 275 F CA 1.326 59.331 58.000 0.009 0.000 1.264 275 F CB -1.722 37.279 39.000 0.003 0.000 1.001 275 F HN -0.063 nan 8.300 nan 0.000 0.479 276 A N 0.179 123.102 122.820 0.172 0.000 1.933 276 A HA -0.210 4.112 4.320 0.004 0.000 0.218 276 A C 2.215 179.856 177.584 0.096 0.000 1.175 276 A CA 1.724 53.838 52.037 0.128 0.000 0.628 276 A CB -0.639 18.419 19.000 0.098 0.000 0.814 276 A HN 0.361 nan 8.150 nan 0.000 0.444 277 K N -0.507 119.919 120.400 0.043 0.000 2.057 277 K HA -0.052 4.270 4.320 0.004 0.000 0.206 277 K C 1.841 178.465 176.600 0.039 0.000 1.050 277 K CA 1.353 57.656 56.287 0.026 0.000 0.935 277 K CB -0.376 32.113 32.500 -0.019 0.000 0.715 277 K HN 0.288 nan 8.250 nan 0.000 0.439 278 V N 1.744 121.673 119.914 0.024 0.000 2.343 278 V HA -0.241 3.881 4.120 0.004 0.000 0.247 278 V C 2.276 178.413 176.094 0.072 0.000 1.051 278 V CA 1.593 63.915 62.300 0.038 0.000 1.036 278 V CB -0.455 31.391 31.823 0.037 0.000 0.654 278 V HN 0.268 nan 8.190 nan 0.000 0.451 279 R N 0.479 121.036 120.500 0.095 0.000 2.096 279 R HA -0.090 4.253 4.340 0.004 0.000 0.235 279 R C 2.256 178.620 176.300 0.107 0.000 1.127 279 R CA 1.951 58.104 56.100 0.089 0.000 0.968 279 R CB -1.015 29.331 30.300 0.078 0.000 0.861 279 R HN 0.768 nan 8.270 nan 0.000 0.440 280 I N -2.042 118.614 120.570 0.144 0.000 2.439 280 I HA 0.007 4.179 4.170 0.004 0.000 0.251 280 I C 2.260 178.510 176.117 0.222 0.000 1.139 280 I CA 1.413 62.855 61.300 0.237 0.000 1.438 280 I CB -0.522 37.615 38.000 0.228 0.000 1.085 280 I HN -0.096 nan 8.210 nan 0.000 0.427 281 A N 1.665 124.557 122.820 0.120 0.000 1.877 281 A HA -0.196 4.126 4.320 0.004 0.000 0.216 281 A C 2.264 179.868 177.584 0.034 0.000 1.186 281 A CA 2.014 54.091 52.037 0.066 0.000 0.620 281 A CB -0.760 18.262 19.000 0.038 0.000 0.822 281 A HN 0.592 nan 8.150 nan 0.000 0.443 282 E N -0.231 119.993 120.200 0.040 0.000 2.051 282 E HA -0.119 4.233 4.350 0.004 0.000 0.192 282 E C 2.361 178.961 176.600 -0.001 0.000 0.991 282 E CA 1.053 57.464 56.400 0.019 0.000 0.799 282 E CB -0.324 29.394 29.700 0.031 0.000 0.748 282 E HN 0.606 nan 8.360 nan 0.000 0.449 283 A N 1.492 124.329 122.820 0.028 0.000 1.877 283 A HA -0.227 4.096 4.320 0.004 0.000 0.216 283 A C 2.384 179.891 177.584 -0.128 0.000 1.186 283 A CA 2.137 54.175 52.037 0.001 0.000 0.620 283 A CB -0.812 18.246 19.000 0.097 0.000 0.822 283 A HN 0.341 nan 8.150 nan 0.000 0.443 284 S N -0.552 115.034 115.700 -0.189 0.000 2.370 284 S HA -0.184 4.289 4.470 0.004 0.000 0.226 284 S C 2.175 176.600 174.600 -0.292 0.000 1.033 284 S CA 1.810 59.712 58.200 -0.497 0.000 1.011 284 S CB -0.907 61.959 63.200 -0.556 0.000 0.852 284 S HN 0.564 nan 8.310 nan 0.000 0.457 285 S N 1.790 117.400 115.700 -0.151 0.000 2.368 285 S HA -0.148 4.325 4.470 0.004 0.000 0.225 285 S C 1.524 176.066 174.600 -0.097 0.000 1.030 285 S CA 1.532 59.673 58.200 -0.099 0.000 0.999 285 S CB -0.844 62.324 63.200 -0.054 0.000 0.844 285 S HN 0.575 nan 8.310 nan 0.000 0.459 286 D N 0.986 121.328 120.400 -0.096 0.000 2.183 286 D HA 0.042 4.685 4.640 0.004 0.000 0.203 286 D C 1.863 178.100 176.300 -0.105 0.000 0.969 286 D CA 0.784 54.737 54.000 -0.079 0.000 0.842 286 D CB -0.321 40.446 40.800 -0.055 0.000 0.957 286 D HN 0.459 nan 8.370 nan 0.000 0.484 287 I N 0.806 121.262 120.570 -0.191 0.000 2.252 287 I HA -0.247 3.925 4.170 0.004 0.000 0.245 287 I C 2.113 178.114 176.117 -0.193 0.000 1.102 287 I CA 1.177 62.307 61.300 -0.283 0.000 1.385 287 I CB -0.116 37.543 38.000 -0.568 0.000 1.064 287 I HN -0.102 nan 8.210 nan 0.000 0.414 288 D N 0.940 121.239 120.400 -0.169 0.000 2.117 288 D HA -0.188 4.454 4.640 0.004 0.000 0.197 288 D C 2.186 178.531 176.300 0.075 0.000 0.987 288 D CA 1.467 55.477 54.000 0.016 0.000 0.829 288 D CB 0.085 40.876 40.800 -0.015 0.000 0.961 288 D HN 0.298 nan 8.370 nan 0.000 0.460 289 A N 0.534 123.357 122.820 0.004 0.000 1.902 289 A HA 0.001 4.323 4.320 0.004 0.000 0.217 289 A C 2.406 179.994 177.584 0.005 0.000 1.181 289 A CA 2.178 54.213 52.037 -0.003 0.000 0.623 289 A CB -1.197 17.786 19.000 -0.029 0.000 0.818 289 A HN 0.349 nan 8.150 nan 0.000 0.443 290 A N -1.176 121.655 122.820 0.018 0.000 1.883 290 A HA -0.236 4.087 4.320 0.004 0.000 0.217 290 A C 2.175 179.813 177.584 0.089 0.000 1.186 290 A CA 1.538 53.594 52.037 0.032 0.000 0.624 290 A CB -1.005 18.017 19.000 0.037 0.000 0.822 290 A HN 0.879 nan 8.150 nan 0.000 0.444 291 W N 0.586 121.886 121.300 -0.001 0.000 2.381 291 W HA -0.135 4.526 4.660 0.002 0.000 0.301 291 W C 2.288 178.806 176.519 -0.002 0.000 1.205 291 W CA 1.477 58.843 57.345 0.034 0.000 1.285 291 W CB -0.221 29.336 29.460 0.163 0.000 1.133 291 W HN 0.333 nan 8.180 nan 0.000 0.521 292 R N 0.144 120.628 120.500 -0.027 0.000 2.091 292 R HA -0.212 4.131 4.340 0.004 0.000 0.238 292 R C 2.394 178.561 176.300 -0.222 0.000 1.136 292 R CA 2.105 58.121 56.100 -0.139 0.000 0.959 292 R CB -0.591 29.691 30.300 -0.030 0.000 0.856 292 R HN 0.367 nan 8.270 nan 0.000 0.437 293 Q N 0.084 119.780 119.800 -0.173 0.000 2.062 293 Q HA -0.106 4.237 4.340 0.004 0.000 0.196 293 Q C 2.178 178.024 176.000 -0.256 0.000 0.967 293 Q CA 0.813 56.508 55.803 -0.180 0.000 0.832 293 Q CB -0.098 28.560 28.738 -0.134 0.000 0.899 293 Q HN 0.158 nan 8.270 nan 0.000 0.442 294 L N 1.056 122.100 121.223 -0.299 0.000 1.989 294 L HA -0.227 4.115 4.340 0.004 0.000 0.211 294 L C 2.472 179.023 176.870 -0.532 0.000 1.071 294 L CA 2.363 56.975 54.840 -0.380 0.000 0.749 294 L CB -0.671 41.190 42.059 -0.330 0.000 0.890 294 L HN 0.244 nan 8.230 nan 0.000 0.431 295 S N -1.444 113.763 115.700 -0.822 0.000 2.406 295 S HA -0.042 4.430 4.470 0.004 0.000 0.228 295 S C 2.082 176.437 174.600 -0.408 0.000 1.020 295 S CA 0.632 58.352 58.200 -0.800 0.000 0.965 295 S CB -1.328 61.049 63.200 -1.372 0.000 0.798 295 S HN 0.478 nan 8.310 nan 0.000 0.488 296 G N 2.044 110.640 108.800 -0.340 0.000 2.404 296 G HA2 -0.181 3.781 3.960 0.004 0.000 0.215 296 G HA3 -0.181 3.781 3.960 0.004 0.000 0.215 296 G C 1.390 176.206 174.900 -0.141 0.000 1.174 296 G CA 0.854 45.841 45.100 -0.189 0.000 0.780 296 G HN 0.665 nan 8.290 nan 0.000 0.537 297 N N -0.059 118.541 118.700 -0.166 0.000 2.120 297 N HA -0.100 4.642 4.740 0.004 0.000 0.188 297 N C 2.175 177.624 175.510 -0.101 0.000 1.024 297 N CA 1.051 54.025 53.050 -0.127 0.000 0.852 297 N CB -0.096 38.301 38.487 -0.150 0.000 1.003 297 N HN 0.172 nan 8.380 nan 0.000 0.424 298 V N 1.305 121.138 119.914 -0.137 0.000 2.343 298 V HA -0.228 3.894 4.120 0.004 0.000 0.247 298 V C 2.365 178.466 176.094 0.011 0.000 1.051 298 V CA 1.919 64.178 62.300 -0.069 0.000 1.036 298 V CB -0.900 30.872 31.823 -0.085 0.000 0.654 298 V HN 0.363 nan 8.190 nan 0.000 0.451 299 A N -0.065 122.747 122.820 -0.013 0.000 1.908 299 A HA -0.265 4.057 4.320 0.004 0.000 0.218 299 A C 1.984 179.619 177.584 0.086 0.000 1.181 299 A CA 2.152 54.227 52.037 0.065 0.000 0.627 299 A CB -0.631 18.387 19.000 0.029 0.000 0.818 299 A HN 0.547 nan 8.150 nan 0.000 0.445 300 D N -0.358 120.059 120.400 0.028 0.000 2.117 300 D HA -0.102 4.540 4.640 0.004 0.000 0.198 300 D C 1.970 178.296 176.300 0.043 0.000 0.982 300 D CA 1.342 55.357 54.000 0.024 0.000 0.828 300 D CB -0.402 40.395 40.800 -0.005 0.000 0.967 300 D HN 0.645 nan 8.370 nan 0.000 0.464 301 E N -0.391 119.840 120.200 0.052 0.000 2.051 301 E HA -0.211 4.142 4.350 0.004 0.000 0.192 301 E C 1.995 178.671 176.600 0.126 0.000 0.991 301 E CA 0.736 57.181 56.400 0.075 0.000 0.799 301 E CB -0.208 29.534 29.700 0.071 0.000 0.748 301 E HN 0.307 nan 8.360 nan 0.000 0.449 302 Y N 1.205 121.513 120.300 0.014 0.000 2.181 302 Y HA -0.186 4.365 4.550 0.003 0.000 0.288 302 Y C 2.201 178.116 175.900 0.025 0.000 1.146 302 Y CA 1.156 59.270 58.100 0.024 0.000 1.164 302 Y CB -0.483 37.989 38.460 0.020 0.000 0.982 302 Y HN -0.006 nan 8.280 nan 0.000 0.515 303 A N 0.138 122.959 122.820 0.002 0.000 1.940 303 A HA -0.187 4.135 4.320 0.004 0.000 0.219 303 A C 2.318 179.844 177.584 -0.096 0.000 1.176 303 A CA 1.896 53.884 52.037 -0.081 0.000 0.631 303 A CB -1.159 17.839 19.000 -0.004 0.000 0.814 303 A HN 0.542 nan 8.150 nan 0.000 0.446 304 L N -0.769 120.428 121.223 -0.044 0.000 2.046 304 L HA -0.192 4.151 4.340 0.004 0.000 0.208 304 L C 2.562 179.399 176.870 -0.055 0.000 1.077 304 L CA 1.197 56.018 54.840 -0.031 0.000 0.747 304 L CB -0.509 41.553 42.059 0.005 0.000 0.896 304 L HN 0.380 nan 8.230 nan 0.000 0.432 305 L N -1.265 119.913 121.223 -0.076 0.000 2.093 305 L HA -0.166 4.177 4.340 0.004 0.000 0.208 305 L C 2.505 179.282 176.870 -0.155 0.000 1.085 305 L CA 0.647 55.441 54.840 -0.077 0.000 0.755 305 L CB -0.534 41.512 42.059 -0.022 0.000 0.904 305 L HN 0.053 nan 8.230 nan 0.000 0.435 306 V N 0.317 120.045 119.914 -0.310 0.000 2.407 306 V HA -0.264 3.858 4.120 0.004 0.000 0.248 306 V C 2.549 178.559 176.094 -0.141 0.000 1.055 306 V CA 1.786 63.912 62.300 -0.290 0.000 1.049 306 V CB -0.799 30.775 31.823 -0.415 0.000 0.662 306 V HN 0.492 nan 8.190 nan 0.000 0.455 307 A N -0.628 122.127 122.820 -0.109 0.000 2.235 307 A HA 0.359 4.681 4.320 0.004 0.000 0.208 307 A C 1.952 179.513 177.584 -0.038 0.000 1.172 307 A CA 1.002 53.003 52.037 -0.059 0.000 0.786 307 A CB -0.573 18.400 19.000 -0.045 0.000 0.804 307 A HN 1.247 nan 8.150 nan 0.000 0.479 308 G N -0.811 107.965 108.800 -0.039 0.000 2.147 308 G HA2 -0.191 3.771 3.960 0.004 0.000 0.244 308 G HA3 -0.191 3.771 3.960 0.004 0.000 0.244 308 G C -0.184 174.713 174.900 -0.005 0.000 1.005 308 G CA 0.383 45.473 45.100 -0.017 0.000 0.713 308 G HN 0.500 nan 8.290 nan 0.000 0.515 309 E N 0.235 120.431 120.200 -0.007 0.000 2.232 309 E HA 0.443 4.796 4.350 0.004 0.000 0.265 309 E C 0.373 176.985 176.600 0.019 0.000 1.001 309 E CA -0.665 55.739 56.400 0.006 0.000 0.870 309 E CB 1.010 30.711 29.700 0.002 0.000 1.175 309 E HN 0.541 nan 8.360 nan 0.000 0.407 310 E N 0.351 120.569 120.200 0.029 0.000 2.349 310 E HA 0.229 4.582 4.350 0.004 0.000 0.265 310 E C -0.499 176.132 176.600 0.052 0.000 1.064 310 E CA -0.515 55.912 56.400 0.045 0.000 0.886 310 E CB 1.402 31.130 29.700 0.047 0.000 1.036 310 E HN 0.079 nan 8.360 nan 0.000 0.413 311 V N 4.607 124.563 119.914 0.070 0.000 2.408 311 V HA 0.134 4.256 4.120 0.004 0.000 0.267 311 V C -1.975 174.174 176.094 0.091 0.000 1.047 311 V CA -1.492 60.852 62.300 0.074 0.000 0.937 311 V CB 0.321 32.196 31.823 0.087 0.000 0.999 311 V HN 0.556 nan 8.190 nan 0.000 0.472 312 P HA 0.152 nan 4.420 nan 0.000 0.271 312 P C 0.548 177.933 177.300 0.142 0.000 1.218 312 P CA -0.392 62.772 63.100 0.105 0.000 0.780 312 P CB 0.581 32.324 31.700 0.072 0.000 0.901 313 F N 2.774 122.735 119.950 0.018 0.000 2.161 313 F HA -0.236 4.293 4.527 0.004 0.000 0.300 313 F C 2.005 177.813 175.800 0.014 0.000 1.089 313 F CA 2.039 60.049 58.000 0.017 0.000 1.282 313 F CB -0.402 38.604 39.000 0.010 0.000 1.010 313 F HN 0.424 nan 8.300 nan 0.000 0.485 314 E N 0.224 120.446 120.200 0.037 0.000 2.118 314 E HA -0.262 4.090 4.350 0.004 0.000 0.195 314 E C 1.920 178.477 176.600 -0.071 0.000 0.992 314 E CA 1.843 58.215 56.400 -0.047 0.000 0.804 314 E CB -1.218 28.490 29.700 0.014 0.000 0.741 314 E HN 0.426 nan 8.360 nan 0.000 0.458 315 L N 0.546 121.743 121.223 -0.045 0.000 2.072 315 L HA 0.067 4.409 4.340 0.004 0.000 0.205 315 L C 2.258 179.073 176.870 -0.092 0.000 1.079 315 L CA 1.674 56.487 54.840 -0.044 0.000 0.752 315 L CB -0.408 41.643 42.059 -0.014 0.000 0.906 315 L HN -0.008 nan 8.230 nan 0.000 0.436 316 R N -0.781 119.636 120.500 -0.138 0.000 2.105 316 R HA -0.132 4.211 4.340 0.004 0.000 0.239 316 R C 2.265 178.414 176.300 -0.251 0.000 1.135 316 R CA 1.782 57.770 56.100 -0.186 0.000 0.967 316 R CB -0.520 29.669 30.300 -0.186 0.000 0.861 316 R HN 0.376 nan 8.270 nan 0.000 0.442 317 L N 0.063 121.076 121.223 -0.350 0.000 2.027 317 L HA -0.165 4.178 4.340 0.004 0.000 0.206 317 L C 2.574 179.449 176.870 0.009 0.000 1.074 317 L CA 1.399 56.115 54.840 -0.208 0.000 0.745 317 L CB -0.346 41.569 42.059 -0.239 0.000 0.898 317 L HN 0.146 nan 8.230 nan 0.000 0.433 318 R N -0.154 120.357 120.500 0.018 0.000 2.096 318 R HA -0.153 4.189 4.340 0.004 0.000 0.235 318 R C 2.414 178.648 176.300 -0.110 0.000 1.127 318 R CA 1.275 57.358 56.100 -0.030 0.000 0.968 318 R CB -0.521 29.768 30.300 -0.018 0.000 0.861 318 R HN 0.372 nan 8.270 nan 0.000 0.440 319 A N 1.372 124.124 122.820 -0.114 0.000 1.865 319 A HA -0.178 4.144 4.320 0.004 0.000 0.217 319 A C 2.122 179.612 177.584 -0.157 0.000 1.191 319 A CA 1.213 53.164 52.037 -0.144 0.000 0.623 319 A CB -0.341 18.573 19.000 -0.143 0.000 0.826 319 A HN 0.112 nan 8.150 nan 0.000 0.444 320 R N -0.707 119.707 120.500 -0.143 0.000 2.081 320 R HA -0.104 4.239 4.340 0.004 0.000 0.235 320 R C 2.402 178.629 176.300 -0.122 0.000 1.131 320 R CA 1.422 57.435 56.100 -0.144 0.000 0.960 320 R CB -0.753 29.472 30.300 -0.125 0.000 0.856 320 R HN 0.692 nan 8.270 nan 0.000 0.436 321 R N 0.978 121.422 120.500 -0.093 0.000 2.112 321 R HA -0.177 4.165 4.340 0.004 0.000 0.242 321 R C 1.168 177.442 176.300 -0.044 0.000 1.137 321 R CA 2.258 58.315 56.100 -0.071 0.000 0.944 321 R CB -0.183 29.901 30.300 -0.360 0.000 0.857 321 R HN 0.127 nan 8.270 nan 0.000 0.435 322 D N -0.153 120.173 120.400 -0.123 0.000 2.234 322 D HA -0.148 4.495 4.640 0.004 0.000 0.205 322 D C 1.871 178.104 176.300 -0.112 0.000 0.962 322 D CA 0.616 54.547 54.000 -0.114 0.000 0.855 322 D CB -0.155 40.558 40.800 -0.145 0.000 0.951 322 D HN 0.382 nan 8.370 nan 0.000 0.500 323 Q N 1.413 121.126 119.800 -0.146 0.000 2.020 323 Q HA -0.109 4.233 4.340 0.004 0.000 0.198 323 Q C 2.307 178.215 176.000 -0.153 0.000 0.974 323 Q CA 1.511 57.208 55.803 -0.176 0.000 0.829 323 Q CB -0.125 28.476 28.738 -0.228 0.000 0.894 323 Q HN 0.263 nan 8.270 nan 0.000 0.433 324 V N -0.632 119.182 119.914 -0.167 0.000 2.392 324 V HA -0.204 3.918 4.120 0.004 0.000 0.249 324 V C 2.559 178.590 176.094 -0.105 0.000 1.059 324 V CA 2.201 64.388 62.300 -0.190 0.000 1.051 324 V CB -0.921 30.697 31.823 -0.342 0.000 0.658 324 V HN 0.239 nan 8.190 nan 0.000 0.455 325 R N 0.624 121.119 120.500 -0.010 0.000 2.115 325 R HA 0.032 4.374 4.340 0.004 0.000 0.230 325 R C 2.388 178.687 176.300 -0.002 0.000 1.111 325 R CA 1.482 57.624 56.100 0.070 0.000 0.976 325 R CB -0.658 29.706 30.300 0.105 0.000 0.870 325 R HN 0.628 nan 8.270 nan 0.000 0.445 326 A N -0.337 122.459 122.820 -0.039 0.000 1.902 326 A HA -0.154 4.169 4.320 0.004 0.000 0.217 326 A C 2.130 179.697 177.584 -0.027 0.000 1.181 326 A CA 2.047 54.063 52.037 -0.035 0.000 0.623 326 A CB -0.954 18.014 19.000 -0.053 0.000 0.818 326 A HN 0.396 nan 8.150 nan 0.000 0.443 327 T N -0.217 114.310 114.554 -0.044 0.000 2.684 327 T HA -0.094 4.258 4.350 0.004 0.000 0.267 327 T C 1.956 176.629 174.700 -0.045 0.000 1.036 327 T CA 1.687 63.763 62.100 -0.041 0.000 1.148 327 T CB -0.696 68.139 68.868 -0.054 0.000 0.863 327 T HN 0.611 nan 8.240 nan 0.000 0.436 328 G N 1.286 110.065 108.800 -0.035 0.000 2.418 328 G HA2 -0.213 3.750 3.960 0.004 0.000 0.217 328 G HA3 -0.213 3.750 3.960 0.004 0.000 0.217 328 G C 1.720 176.610 174.900 -0.016 0.000 1.158 328 G CA 0.406 45.494 45.100 -0.020 0.000 0.771 328 G HN 0.425 nan 8.290 nan 0.000 0.545 329 R N 0.527 121.018 120.500 -0.015 0.000 2.081 329 R HA 0.020 4.362 4.340 0.004 0.000 0.235 329 R C 3.044 179.324 176.300 -0.034 0.000 1.131 329 R CA 1.122 57.209 56.100 -0.021 0.000 0.960 329 R CB -0.437 29.847 30.300 -0.027 0.000 0.856 329 R HN 0.349 nan 8.270 nan 0.000 0.436 330 A N 1.439 124.236 122.820 -0.039 0.000 1.883 330 A HA -0.163 4.160 4.320 0.004 0.000 0.217 330 A C 2.181 179.739 177.584 -0.044 0.000 1.186 330 A CA 1.357 53.364 52.037 -0.050 0.000 0.624 330 A CB -0.513 18.468 19.000 -0.031 0.000 0.822 330 A HN 0.184 nan 8.150 nan 0.000 0.444 331 I N -1.009 119.522 120.570 -0.065 0.000 2.252 331 I HA -0.190 3.983 4.170 0.004 0.000 0.245 331 I C 2.805 178.923 176.117 0.002 0.000 1.102 331 I CA 1.413 62.647 61.300 -0.110 0.000 1.385 331 I CB -0.313 37.530 38.000 -0.262 0.000 1.064 331 I HN 0.388 nan 8.210 nan 0.000 0.414 332 S N 0.243 115.952 115.700 0.015 0.000 2.383 332 S HA -0.188 4.284 4.470 0.004 0.000 0.229 332 S C 2.225 176.865 174.600 0.068 0.000 1.030 332 S CA 2.093 60.329 58.200 0.060 0.000 1.002 332 S CB -0.143 63.079 63.200 0.037 0.000 0.829 332 S HN 0.411 nan 8.310 nan 0.000 0.467 333 S N 1.133 116.851 115.700 0.030 0.000 2.368 333 S HA 0.070 4.542 4.470 0.004 0.000 0.224 333 S C 1.751 176.384 174.600 0.055 0.000 1.029 333 S CA 1.249 59.462 58.200 0.022 0.000 0.988 333 S CB -0.391 62.789 63.200 -0.033 0.000 0.838 333 S HN 0.524 nan 8.310 nan 0.000 0.462 334 I N 1.910 122.525 120.570 0.076 0.000 2.226 334 I HA -0.213 3.960 4.170 0.004 0.000 0.245 334 I C 2.008 178.269 176.117 0.240 0.000 1.100 334 I CA 1.154 62.541 61.300 0.144 0.000 1.374 334 I CB -0.476 37.629 38.000 0.176 0.000 1.057 334 I HN 0.155 nan 8.210 nan 0.000 0.413 335 D N 1.152 121.736 120.400 0.307 0.000 2.123 335 D HA -0.186 4.456 4.640 0.004 0.000 0.196 335 D C 2.173 178.581 176.300 0.179 0.000 0.992 335 D CA 1.298 55.516 54.000 0.363 0.000 0.833 335 D CB -0.209 40.820 40.800 0.381 0.000 0.954 335 D HN 0.294 nan 8.370 nan 0.000 0.455 336 K N 0.039 120.503 120.400 0.107 0.000 2.063 336 K HA -0.083 4.239 4.320 0.004 0.000 0.208 336 K C 2.315 178.892 176.600 -0.039 0.000 1.048 336 K CA 0.722 57.031 56.287 0.037 0.000 0.928 336 K CB -0.176 32.345 32.500 0.036 0.000 0.713 336 K HN 0.164 nan 8.250 nan 0.000 0.442 337 L N -0.297 120.880 121.223 -0.077 0.000 2.056 337 L HA -0.146 4.196 4.340 0.004 0.000 0.207 337 L C 2.393 179.109 176.870 -0.257 0.000 1.078 337 L CA 0.848 55.488 54.840 -0.333 0.000 0.749 337 L CB -0.440 41.416 42.059 -0.338 0.000 0.901 337 L HN 0.098 nan 8.230 nan 0.000 0.433 338 F N 1.151 120.961 119.950 -0.233 0.000 2.102 338 F HA -0.235 4.295 4.527 0.004 0.000 0.298 338 F C 2.548 178.188 175.800 -0.267 0.000 1.105 338 F CA 1.935 59.769 58.000 -0.276 0.000 1.239 338 F CB -0.273 38.450 39.000 -0.463 0.000 0.991 338 F HN 0.109 nan 8.300 nan 0.000 0.474 339 E N -0.726 119.287 120.200 -0.312 0.000 2.051 339 E HA -0.242 4.110 4.350 0.004 0.000 0.192 339 E C 2.417 178.866 176.600 -0.251 0.000 0.991 339 E CA 1.421 57.615 56.400 -0.345 0.000 0.799 339 E CB -0.443 29.166 29.700 -0.151 0.000 0.748 339 E HN 0.396 nan 8.360 nan 0.000 0.449 340 S N -0.302 115.308 115.700 -0.151 0.000 2.368 340 S HA -0.177 4.296 4.470 0.004 0.000 0.225 340 S C 2.096 176.688 174.600 -0.013 0.000 1.030 340 S CA 1.611 59.778 58.200 -0.055 0.000 0.999 340 S CB -0.404 62.797 63.200 0.002 0.000 0.844 340 S HN 0.326 nan 8.310 nan 0.000 0.459 341 S N -0.303 115.388 115.700 -0.015 0.000 2.382 341 S HA 0.140 4.612 4.470 0.004 0.000 0.228 341 S C 1.348 175.908 174.600 -0.066 0.000 1.027 341 S CA 1.712 59.957 58.200 0.074 0.000 0.991 341 S CB -1.263 62.003 63.200 0.111 0.000 0.823 341 S HN 1.168 nan 8.310 nan 0.000 0.469 342 G N 0.468 109.130 108.800 -0.229 0.000 2.527 342 G HA2 -0.260 3.702 3.960 0.004 0.000 0.268 342 G HA3 -0.260 3.702 3.960 0.004 0.000 0.268 342 G C 1.009 175.780 174.900 -0.215 0.000 1.175 342 G CA 0.425 45.382 45.100 -0.239 0.000 0.962 342 G HN 1.258 nan 8.290 nan 0.000 0.560 343 A N -1.801 120.942 122.820 -0.128 0.000 1.908 343 A HA 0.026 4.349 4.320 0.004 0.000 0.218 343 A C 2.642 180.187 177.584 -0.064 0.000 1.181 343 A CA 3.629 55.609 52.037 -0.095 0.000 0.627 343 A CB -1.225 17.741 19.000 -0.056 0.000 0.818 343 A HN 1.969 nan 8.150 nan 0.000 0.445 344 T N -0.531 114.002 114.554 -0.035 0.000 2.803 344 T HA -0.061 4.292 4.350 0.004 0.000 0.269 344 T C 1.757 176.434 174.700 -0.038 0.000 1.052 344 T CA 1.866 63.958 62.100 -0.014 0.000 1.136 344 T CB -0.407 68.490 68.868 0.049 0.000 0.864 344 T HN 0.574 nan 8.240 nan 0.000 0.467 345 A N 0.327 123.120 122.820 -0.045 0.000 2.167 345 A HA 0.285 4.607 4.320 0.004 0.000 0.214 345 A C 2.103 179.759 177.584 0.119 0.000 1.151 345 A CA 0.464 52.519 52.037 0.029 0.000 0.735 345 A CB -0.454 18.560 19.000 0.024 0.000 0.802 345 A HN 0.599 nan 8.150 nan 0.000 0.467 346 L N -0.561 120.680 121.223 0.031 0.000 2.395 346 L HA 0.049 4.391 4.340 0.004 0.000 0.218 346 L C 1.528 178.439 176.870 0.069 0.000 1.130 346 L CA 0.089 54.975 54.840 0.077 0.000 0.826 346 L CB -0.614 41.453 42.059 0.013 0.000 0.941 346 L HN 0.392 nan 8.230 nan 0.000 0.451 347 A N 1.133 123.975 122.820 0.037 0.000 2.524 347 A HA 0.086 4.408 4.320 0.004 0.000 0.250 347 A C 0.243 177.843 177.584 0.027 0.000 1.078 347 A CA -0.276 51.774 52.037 0.022 0.000 0.761 347 A CB -0.179 18.822 19.000 0.002 0.000 1.012 347 A HN 0.257 nan 8.150 nan 0.000 0.500 348 N N 0.966 119.680 118.700 0.024 0.000 2.395 348 N HA 0.277 5.019 4.740 0.004 0.000 0.246 348 N C 1.346 176.858 175.510 0.003 0.000 1.246 348 N CA 1.573 54.633 53.050 0.017 0.000 0.879 348 N CB 0.724 39.219 38.487 0.013 0.000 1.098 348 N HN 1.240 nan 8.380 nan 0.000 0.444 349 G N -0.322 108.474 108.800 -0.006 0.000 2.179 349 G HA2 -0.290 3.672 3.960 0.004 0.000 0.260 349 G HA3 -0.290 3.672 3.960 0.004 0.000 0.260 349 G C 0.278 175.161 174.900 -0.028 0.000 0.977 349 G CA 0.821 45.910 45.100 -0.018 0.000 0.641 349 G HN 0.889 nan 8.290 nan 0.000 0.533 350 T N -1.705 112.835 114.554 -0.023 0.000 2.928 350 T HA 0.674 5.026 4.350 0.004 0.000 0.284 350 T C -0.884 173.791 174.700 -0.042 0.000 1.008 350 T CA -1.047 61.035 62.100 -0.030 0.000 1.057 350 T CB 2.636 71.487 68.868 -0.029 0.000 1.018 350 T HN -0.066 nan 8.240 nan 0.000 0.493 351 P HA -0.009 nan 4.420 nan 0.000 0.216 351 P C 1.665 178.963 177.300 -0.002 0.000 1.153 351 P CA 0.189 63.226 63.100 -0.105 0.000 0.844 351 P CB -0.026 31.693 31.700 0.032 0.000 0.787 352 L N 0.707 122.026 121.223 0.159 0.000 2.017 352 L HA -0.203 4.140 4.340 0.004 0.000 0.208 352 L C 2.298 179.278 176.870 0.183 0.000 1.073 352 L CA 2.158 57.170 54.840 0.287 0.000 0.745 352 L CB -1.635 40.590 42.059 0.275 0.000 0.894 352 L HN -0.066 nan 8.230 nan 0.000 0.432 353 Q N -0.812 119.042 119.800 0.090 0.000 2.226 353 Q HA -0.223 4.120 4.340 0.004 0.000 0.204 353 Q C 2.240 178.264 176.000 0.040 0.000 0.975 353 Q CA 1.861 57.631 55.803 -0.054 0.000 0.866 353 Q CB -0.731 28.047 28.738 0.067 0.000 0.915 353 Q HN 0.508 nan 8.270 nan 0.000 0.440 354 R N -0.551 119.937 120.500 -0.019 0.000 2.062 354 R HA -0.055 4.287 4.340 0.004 0.000 0.229 354 R C 1.573 177.838 176.300 -0.057 0.000 1.128 354 R CA 1.283 57.324 56.100 -0.099 0.000 0.960 354 R CB -0.220 29.938 30.300 -0.237 0.000 0.855 354 R HN 0.316 nan 8.270 nan 0.000 0.432 355 F N -0.480 119.503 119.950 0.055 0.000 2.161 355 F HA -0.210 4.319 4.527 0.004 0.000 0.300 355 F C 2.092 177.940 175.800 0.080 0.000 1.089 355 F CA 1.214 59.251 58.000 0.061 0.000 1.282 355 F CB -0.848 38.200 39.000 0.080 0.000 1.010 355 F HN 0.248 nan 8.300 nan 0.000 0.485 356 W N 1.445 122.771 121.300 0.042 0.000 2.354 356 W HA -0.158 4.504 4.660 0.004 0.000 0.315 356 W C 2.530 179.057 176.519 0.013 0.000 1.206 356 W CA 1.818 59.128 57.345 -0.058 0.000 1.290 356 W CB -0.508 28.659 29.460 -0.489 0.000 1.152 356 W HN -0.171 nan 8.180 nan 0.000 0.489 357 R N -0.026 120.385 120.500 -0.148 0.000 2.081 357 R HA -0.158 4.184 4.340 0.004 0.000 0.235 357 R C 1.788 177.981 176.300 -0.178 0.000 1.131 357 R CA 1.764 57.674 56.100 -0.316 0.000 0.960 357 R CB -0.722 29.461 30.300 -0.195 0.000 0.856 357 R HN 0.147 nan 8.270 nan 0.000 0.436 358 D N 0.537 120.892 120.400 -0.075 0.000 2.117 358 D HA -0.109 4.534 4.640 0.004 0.000 0.197 358 D C 1.816 178.060 176.300 -0.093 0.000 0.987 358 D CA 1.520 55.480 54.000 -0.066 0.000 0.829 358 D CB -0.251 40.557 40.800 0.013 0.000 0.961 358 D HN 0.235 nan 8.370 nan 0.000 0.460 359 A N 0.637 123.431 122.820 -0.044 0.000 1.898 359 A HA -0.195 4.127 4.320 0.004 0.000 0.216 359 A C 1.938 179.386 177.584 -0.226 0.000 1.181 359 A CA 1.241 53.217 52.037 -0.103 0.000 0.620 359 A CB -0.785 18.167 19.000 -0.080 0.000 0.819 359 A HN 0.330 nan 8.150 nan 0.000 0.442 360 H N -0.631 118.298 119.070 -0.235 0.000 2.423 360 H HA -0.001 4.557 4.556 0.004 0.000 0.297 360 H C 2.486 177.689 175.328 -0.208 0.000 1.075 360 H CA 1.259 57.151 56.048 -0.261 0.000 1.342 360 H CB -0.129 29.365 29.762 -0.447 0.000 1.395 360 H HN 0.554 nan 8.280 nan 0.000 0.530 361 A N 0.661 123.408 122.820 -0.122 0.000 1.897 361 A HA -0.043 4.280 4.320 0.004 0.000 0.215 361 A C 2.798 180.272 177.584 -0.183 0.000 1.181 361 A CA 1.320 53.284 52.037 -0.121 0.000 0.620 361 A CB -0.974 17.950 19.000 -0.125 0.000 0.821 361 A HN 0.431 nan 8.150 nan 0.000 0.443 362 G N -0.381 108.227 108.800 -0.320 0.000 2.448 362 G HA2 -0.246 3.717 3.960 0.004 0.000 0.219 362 G HA3 -0.246 3.717 3.960 0.004 0.000 0.219 362 G C 1.615 176.493 174.900 -0.036 0.000 1.127 362 G CA 1.174 46.005 45.100 -0.447 0.000 0.766 362 G HN 0.506 nan 8.290 nan 0.000 0.552 363 R N 1.050 121.511 120.500 -0.064 0.000 2.159 363 R HA -0.100 4.242 4.340 0.004 0.000 0.237 363 R C 2.519 178.818 176.300 -0.002 0.000 1.131 363 R CA 1.798 57.876 56.100 -0.036 0.000 0.982 363 R CB -0.880 29.360 30.300 -0.100 0.000 0.868 363 R HN 0.461 nan 8.270 nan 0.000 0.453 364 V N -1.415 118.491 119.914 -0.013 0.000 3.141 364 V HA 0.001 4.123 4.120 0.004 0.000 0.265 364 V C 1.207 177.265 176.094 -0.061 0.000 1.126 364 V CA 0.589 62.857 62.300 -0.052 0.000 1.141 364 V CB -1.035 30.732 31.823 -0.093 0.000 0.743 364 V HN 0.303 nan 8.190 nan 0.000 0.492 365 H N 0.877 119.926 119.070 -0.034 0.000 3.001 365 H HA 0.246 4.805 4.556 0.004 0.000 0.334 365 H C 1.549 176.844 175.328 -0.056 0.000 1.034 365 H CA 0.653 56.699 56.048 -0.003 0.000 1.420 365 H CB 1.748 31.625 29.762 0.192 0.000 1.405 365 H HN 0.346 nan 8.280 nan 0.000 0.593 366 A N 5.001 127.689 122.820 -0.219 0.000 1.958 366 A HA -0.235 4.088 4.320 0.004 0.000 0.221 366 A C 2.367 179.987 177.584 0.059 0.000 1.178 366 A CA 1.991 53.983 52.037 -0.076 0.000 0.642 366 A CB -0.839 18.087 19.000 -0.123 0.000 0.816 366 A HN 0.799 nan 8.150 nan 0.000 0.453 367 A N -0.889 122.113 122.820 0.304 0.000 2.209 367 A HA -0.030 4.292 4.320 0.004 0.000 0.212 367 A C 1.572 179.114 177.584 -0.070 0.000 1.158 367 A CA 1.199 53.253 52.037 0.029 0.000 0.742 367 A CB -0.630 18.257 19.000 -0.189 0.000 0.790 367 A HN 0.724 nan 8.150 nan 0.000 0.472 368 N N -0.235 118.464 118.700 -0.003 0.000 2.299 368 N HA -0.008 4.735 4.740 0.004 0.000 0.187 368 N C -0.026 175.421 175.510 -0.106 0.000 1.099 368 N CA -0.182 52.829 53.050 -0.065 0.000 0.867 368 N CB 0.255 38.738 38.487 -0.007 0.000 0.974 368 N HN 0.395 nan 8.380 nan 0.000 0.477 369 D N 2.009 122.351 120.400 -0.096 0.000 2.451 369 D HA -0.028 4.615 4.640 0.004 0.000 0.254 369 D C -1.562 174.604 176.300 -0.223 0.000 1.204 369 D CA -1.225 52.700 54.000 -0.125 0.000 0.896 369 D CB 1.307 42.049 40.800 -0.096 0.000 1.136 369 D HN 0.183 nan 8.370 nan 0.000 0.499 370 P HA -0.032 nan 4.420 nan 0.000 0.220 370 P C 0.868 177.737 177.300 -0.719 0.000 1.154 370 P CA 0.697 63.426 63.100 -0.618 0.000 0.830 370 P CB 0.465 31.848 31.700 -0.528 0.000 0.803 371 E N 0.146 120.171 120.200 -0.293 0.000 2.160 371 E HA -0.166 4.187 4.350 0.004 0.000 0.195 371 E C 2.300 178.846 176.600 -0.089 0.000 0.991 371 E CA 0.914 57.260 56.400 -0.091 0.000 0.810 371 E CB -0.626 29.075 29.700 0.003 0.000 0.742 371 E HN 0.154 nan 8.360 nan 0.000 0.466 372 R N 0.425 120.848 120.500 -0.128 0.000 2.080 372 R HA -0.179 4.164 4.340 0.004 0.000 0.236 372 R C 2.131 178.381 176.300 -0.083 0.000 1.137 372 R CA 1.698 57.746 56.100 -0.087 0.000 0.943 372 R CB -0.288 29.957 30.300 -0.093 0.000 0.846 372 R HN 0.240 nan 8.270 nan 0.000 0.431 373 A N -0.232 122.486 122.820 -0.170 0.000 1.929 373 A HA -0.122 4.201 4.320 0.004 0.000 0.216 373 A C 1.876 179.483 177.584 0.039 0.000 1.176 373 A CA 0.951 52.919 52.037 -0.116 0.000 0.628 373 A CB -0.595 18.280 19.000 -0.209 0.000 0.816 373 A HN 0.436 nan 8.150 nan 0.000 0.444 374 Y N 0.159 120.447 120.300 -0.019 0.000 2.200 374 Y HA -0.017 4.535 4.550 0.004 0.000 0.290 374 Y C 1.714 177.636 175.900 0.038 0.000 1.137 374 Y CA -0.194 57.906 58.100 0.000 0.000 1.163 374 Y CB -1.385 37.060 38.460 -0.025 0.000 0.988 374 Y HN 0.014 nan 8.280 nan 0.000 0.518 378 G N 0.409 109.149 108.800 -0.100 0.000 2.440 378 G HA2 -0.205 3.758 3.960 0.004 0.000 0.218 378 G HA3 -0.205 3.758 3.960 0.004 0.000 0.218 378 G C 1.396 175.985 174.900 -0.518 0.000 1.154 378 G CA 1.866 46.740 45.100 -0.377 0.000 0.767 378 G HN 0.431 nan 8.290 nan 0.000 0.552 379 T N 1.050 115.482 114.554 -0.204 0.000 2.665 379 T HA -0.101 4.251 4.350 0.004 0.000 0.268 379 T C 2.489 177.139 174.700 -0.083 0.000 1.035 379 T CA 1.627 63.692 62.100 -0.058 0.000 1.151 379 T CB -0.684 68.199 68.868 0.024 0.000 0.862 379 T HN 0.373 nan 8.240 nan 0.000 0.438 380 G N 1.513 110.222 108.800 -0.151 0.000 2.440 380 G HA2 -0.215 3.747 3.960 0.004 0.000 0.218 380 G HA3 -0.215 3.747 3.960 0.004 0.000 0.218 380 G C 1.537 176.308 174.900 -0.215 0.000 1.154 380 G CA 0.577 45.596 45.100 -0.134 0.000 0.767 380 G HN 0.379 nan 8.290 nan 0.000 0.552 381 E N 0.296 120.228 120.200 -0.447 0.000 2.204 381 E HA -0.059 4.294 4.350 0.004 0.000 0.195 381 E C 1.886 178.420 176.600 -0.111 0.000 0.990 381 E CA 0.526 56.690 56.400 -0.393 0.000 0.821 381 E CB -0.258 29.086 29.700 -0.592 0.000 0.750 381 E HN 0.489 nan 8.360 nan 0.000 0.477 382 F N -0.050 119.851 119.950 -0.082 0.000 2.797 382 F HA 0.238 4.768 4.527 0.004 0.000 0.302 382 F C 1.693 177.476 175.800 -0.029 0.000 1.130 382 F CA 0.369 58.343 58.000 -0.042 0.000 1.387 382 F CB -0.413 38.571 39.000 -0.028 0.000 1.107 382 F HN 0.035 nan 8.300 nan 0.000 0.577 383 G N 1.174 110.050 108.800 0.127 0.000 2.198 383 G HA2 -0.309 3.654 3.960 0.004 0.000 0.260 383 G HA3 -0.309 3.654 3.960 0.004 0.000 0.260 383 G C 0.178 175.125 174.900 0.078 0.000 1.025 383 G CA 0.144 45.291 45.100 0.079 0.000 0.769 383 G HN 0.321 nan 8.290 nan 0.000 0.507 384 L N 0.170 121.453 121.223 0.101 0.000 2.399 384 L HA 0.527 4.870 4.340 0.004 0.000 0.265 384 L C -1.561 175.346 176.870 0.062 0.000 1.089 384 L CA -2.422 52.468 54.840 0.083 0.000 0.802 384 L CB 0.856 42.985 42.059 0.117 0.000 1.180 384 L HN -0.100 nan 8.230 nan 0.000 0.454 385 P HA 0.226 nan 4.420 nan 0.000 0.271 385 P C -0.920 176.408 177.300 0.045 0.000 1.216 385 P CA 0.192 63.309 63.100 0.029 0.000 0.771 385 P CB 0.495 32.206 31.700 0.018 0.000 0.864 386 I N 2.237 122.836 120.570 0.048 0.000 2.378 386 I HA 0.211 4.384 4.170 0.004 0.000 0.291 386 I C 1.261 177.409 176.117 0.051 0.000 0.992 386 I CA -0.183 61.164 61.300 0.079 0.000 1.154 386 I CB 1.952 40.059 38.000 0.179 0.000 1.315 386 I HN 0.391 nan 8.210 nan 0.000 0.448 387 T N -0.693 113.889 114.554 0.046 0.000 2.985 387 T HA 0.083 4.436 4.350 0.004 0.000 0.254 387 T C 0.533 175.252 174.700 0.031 0.000 1.021 387 T CA -0.259 61.859 62.100 0.030 0.000 0.957 387 T CB 0.022 68.903 68.868 0.021 0.000 1.047 387 T HN 0.422 nan 8.240 nan 0.000 0.511 388 D N 3.945 124.369 120.400 0.041 0.000 2.450 388 D HA 0.128 4.771 4.640 0.004 0.000 0.247 388 D C 0.730 177.054 176.300 0.039 0.000 1.162 388 D CA 0.458 54.473 54.000 0.024 0.000 0.879 388 D CB 1.368 42.182 40.800 0.023 0.000 1.163 388 D HN 0.531 nan 8.370 nan 0.000 0.472 391 V N 0.000 119.920 119.914 0.011 0.000 2.409 391 V HA 0.000 4.122 4.120 0.004 0.000 0.244 391 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 391 V CB 0.000 31.817 31.823 -0.010 0.000 1.184 391 V HN 0.000 nan 8.190 nan 0.000 0.556