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 2fyf_1_A DATA FIRST_RESID 8 DATA SEQUENCE HLEIPTAIKP RDGRFGSGPS KVRLEQLQTL TTTAAALFGT SHRQAPVKNL DATA SEQUENCE VGRVRSGLAE LFSLPDGYEV ILGNGGATAF WDAAAFGLID KRSLHLTYGE DATA SEQUENCE FSAKFASAVS KNPFVGEPII ITSDPGSAPE PQTDPSVDVI AWAHNETSTG DATA SEQUENCE VAVAVRRPEG SDXALVVIDA TSGAGGLPVD IAETDAYYFA PQKNFASDGG DATA SEQUENCE LWLAIMSPAA LSRIEAIAAT GRWVPDFLSL PIAVENSLKN QTYNTPAIAT DATA SEQUENCE LALLAEQIDW LVGNGGLDWA VKRTADSSQR LYSWAQERPY TTPFVTDPGL DATA SEQUENCE RSQVVGTIDF VDDVDAGTVA KILRANGIVD TEPYRKLGRN QLRVAMFPAV DATA SEQUENCE EPDDVSALTE CVDWVVERL 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.375 175.328 0.078 0.000 0.993 8 H CA 0.000 56.078 56.048 0.049 0.000 1.023 8 H CB 0.000 29.786 29.762 0.041 0.000 1.292 9 L N 4.230 125.278 121.223 -0.293 0.000 2.276 9 L HA 0.336 4.677 4.340 0.000 0.000 0.286 9 L C 0.416 177.077 176.870 -0.347 0.000 1.061 9 L CA -0.359 54.402 54.840 -0.132 0.000 0.807 9 L CB 1.350 43.471 42.059 0.103 0.000 1.177 9 L HN 0.638 nan 8.230 nan 0.000 0.429 10 E N 4.750 124.879 120.200 -0.118 0.000 2.046 10 E HA 0.303 4.653 4.350 0.000 0.000 0.279 10 E C -0.519 175.940 176.600 -0.235 0.000 0.989 10 E CA -0.649 55.675 56.400 -0.126 0.000 0.798 10 E CB 0.762 30.471 29.700 0.015 0.000 1.086 10 E HN 0.470 nan 8.360 nan 0.000 0.399 11 I N 6.576 126.905 120.570 -0.402 0.000 2.618 11 I HA 0.077 4.248 4.170 0.000 0.000 0.284 11 I C -1.923 173.816 176.117 -0.630 0.000 1.146 11 I CA -1.856 58.925 61.300 -0.866 0.000 1.425 11 I CB 0.408 38.092 38.000 -0.527 0.000 1.383 11 I HN 0.398 nan 8.210 nan 0.000 0.562 12 P HA -0.003 nan 4.420 nan 0.000 0.264 12 P C 0.891 178.026 177.300 -0.275 0.000 1.193 12 P CA -0.077 62.787 63.100 -0.393 0.000 0.763 12 P CB 0.513 31.999 31.700 -0.357 0.000 0.810 13 T N 0.716 115.171 114.554 -0.164 0.000 2.759 13 T HA -0.249 4.102 4.350 0.000 0.000 0.269 13 T C 1.755 176.394 174.700 -0.102 0.000 1.042 13 T CA 1.293 63.325 62.100 -0.114 0.000 1.140 13 T CB -1.020 67.806 68.868 -0.070 0.000 0.864 13 T HN 0.337 nan 8.240 nan 0.000 0.455 14 A N 2.083 124.845 122.820 -0.096 0.000 2.024 14 A HA 0.066 4.387 4.320 0.000 0.000 0.220 14 A C 2.340 179.878 177.584 -0.077 0.000 1.164 14 A CA 1.575 53.570 52.037 -0.071 0.000 0.643 14 A CB -0.917 18.049 19.000 -0.055 0.000 0.806 14 A HN 0.915 nan 8.150 nan 0.000 0.451 15 I N -4.241 116.256 120.570 -0.121 0.000 3.956 15 I HA 0.249 4.419 4.170 0.000 0.000 0.333 15 I C 0.174 176.229 176.117 -0.102 0.000 1.302 15 I CA -0.342 60.892 61.300 -0.110 0.000 1.122 15 I CB 0.161 38.079 38.000 -0.137 0.000 1.013 15 I HN -0.094 nan 8.210 nan 0.000 0.405 16 K N 3.482 123.822 120.400 -0.101 0.000 2.237 16 K HA 0.355 4.675 4.320 0.000 0.000 0.270 16 K C -2.187 174.401 176.600 -0.021 0.000 1.015 16 K CA -1.718 54.528 56.287 -0.068 0.000 0.949 16 K CB 0.195 32.653 32.500 -0.070 0.000 0.976 16 K HN 0.037 nan 8.250 nan 0.000 0.472 17 P HA 0.060 nan 4.420 nan 0.000 0.272 17 P C -0.301 177.013 177.300 0.023 0.000 1.223 17 P CA -0.051 63.087 63.100 0.062 0.000 0.784 17 P CB 0.753 32.574 31.700 0.202 0.000 0.923 18 R N 0.145 120.649 120.500 0.007 0.000 2.115 18 R HA -0.009 4.331 4.340 0.000 0.000 0.230 18 R C 0.851 177.131 176.300 -0.035 0.000 1.111 18 R CA 1.103 57.195 56.100 -0.013 0.000 0.976 18 R CB -0.009 30.284 30.300 -0.011 0.000 0.870 18 R HN 0.570 nan 8.270 nan 0.000 0.445 19 D N -1.297 119.065 120.400 -0.063 0.000 2.492 19 D HA 0.130 4.770 4.640 0.000 0.000 0.248 19 D C 0.111 176.296 176.300 -0.191 0.000 1.101 19 D CA -0.279 53.647 54.000 -0.123 0.000 0.840 19 D CB 1.872 42.576 40.800 -0.161 0.000 1.209 19 D HN 0.162 nan 8.370 nan 0.000 0.524 20 G N 3.057 111.781 108.800 -0.126 0.000 3.088 20 G HA2 -0.013 3.947 3.960 0.000 0.000 0.212 20 G HA3 -0.013 3.947 3.960 0.000 0.000 0.212 20 G C 0.660 175.457 174.900 -0.172 0.000 1.173 20 G CA -0.195 44.878 45.100 -0.045 0.000 0.779 20 G HN 0.319 nan 8.290 nan 0.000 0.540 21 R N 0.267 120.544 120.500 -0.371 0.000 2.220 21 R HA 0.315 4.655 4.340 0.000 0.000 0.340 21 R C -0.601 175.364 176.300 -0.558 0.000 1.076 21 R CA -0.332 55.594 56.100 -0.291 0.000 0.920 21 R CB 0.308 30.504 30.300 -0.173 0.000 1.062 21 R HN 0.173 nan 8.270 nan 0.000 0.469 22 F N 0.512 120.461 119.950 -0.001 0.000 2.698 22 F HA 0.253 4.780 4.527 0.000 0.000 0.304 22 F C 1.501 177.297 175.800 -0.007 0.000 1.108 22 F CA -0.578 57.406 58.000 -0.026 0.000 1.263 22 F CB 0.765 39.739 39.000 -0.042 0.000 1.013 22 F HN 0.551 nan 8.300 nan 0.000 0.532 23 G N -0.210 108.666 108.800 0.128 0.000 2.544 23 G HA2 0.193 4.153 3.960 0.000 0.000 0.242 23 G HA3 0.193 4.153 3.960 0.000 0.000 0.242 23 G C 0.657 175.673 174.900 0.194 0.000 1.247 23 G CA -0.274 44.915 45.100 0.148 0.000 0.840 23 G HN 0.188 nan 8.290 nan 0.000 0.578 24 S N -0.120 115.716 115.700 0.228 0.000 2.614 24 S HA 0.469 4.939 4.470 0.000 0.000 0.230 24 S C 0.780 175.625 174.600 0.407 0.000 0.952 24 S CA 0.484 58.888 58.200 0.340 0.000 0.949 24 S CB -0.095 63.254 63.200 0.247 0.000 0.786 24 S HN 1.693 nan 8.310 nan 0.000 0.478 25 G N 2.734 111.710 108.800 0.293 0.000 3.160 25 G HA2 0.078 4.039 3.960 0.000 0.000 0.573 25 G HA3 0.078 4.039 3.960 0.000 0.000 0.573 25 G C -3.165 171.809 174.900 0.124 0.000 1.286 25 G CA -1.395 43.798 45.100 0.155 0.000 1.151 25 G HN 0.111 nan 8.290 nan 0.000 0.555 26 P HA 0.458 nan 4.420 nan 0.000 0.270 26 P C 0.379 177.747 177.300 0.114 0.000 1.221 26 P CA 0.385 63.532 63.100 0.078 0.000 0.788 26 P CB 0.768 32.503 31.700 0.059 0.000 0.904 27 S N -1.049 114.710 115.700 0.099 0.000 2.638 27 S HA 0.407 4.877 4.470 0.000 0.000 0.274 27 S C -0.726 173.914 174.600 0.067 0.000 1.157 27 S CA -1.223 57.062 58.200 0.142 0.000 0.826 27 S CB 1.066 64.463 63.200 0.328 0.000 1.139 27 S HN 0.438 nan 8.310 nan 0.000 0.474 28 K N 1.021 121.444 120.400 0.039 0.000 2.477 28 K HA 0.124 4.444 4.320 0.000 0.000 0.275 28 K C -1.039 175.540 176.600 -0.035 0.000 1.054 28 K CA 0.148 56.416 56.287 -0.033 0.000 1.135 28 K CB -0.215 32.236 32.500 -0.082 0.000 0.854 28 K HN 0.478 nan 8.250 nan 0.000 0.484 29 V N 6.445 126.327 119.914 -0.054 0.000 2.370 29 V HA 0.265 4.385 4.120 0.000 0.000 0.283 29 V C 0.287 176.316 176.094 -0.109 0.000 1.023 29 V CA -0.768 61.490 62.300 -0.070 0.000 0.857 29 V CB 1.281 33.079 31.823 -0.042 0.000 0.985 29 V HN 0.802 nan 8.190 nan 0.000 0.443 30 R N 2.458 122.855 120.500 -0.173 0.000 2.643 30 R HA 0.136 4.476 4.340 0.000 0.000 0.270 30 R C 1.161 177.371 176.300 -0.150 0.000 1.061 30 R CA -0.523 55.452 56.100 -0.208 0.000 1.107 30 R CB 0.445 30.520 30.300 -0.376 0.000 0.999 30 R HN 0.636 nan 8.270 nan 0.000 0.460 31 L N 3.160 124.310 121.223 -0.120 0.000 1.990 31 L HA -0.254 4.087 4.340 0.000 0.000 0.213 31 L C 2.137 178.959 176.870 -0.080 0.000 1.072 31 L CA 2.170 56.959 54.840 -0.083 0.000 0.755 31 L CB -0.482 41.538 42.059 -0.065 0.000 0.889 31 L HN 0.804 nan 8.230 nan 0.000 0.432 32 E N -1.391 118.750 120.200 -0.097 0.000 2.274 32 E HA -0.258 4.092 4.350 0.000 0.000 0.194 32 E C 1.996 178.546 176.600 -0.084 0.000 0.996 32 E CA 0.903 57.257 56.400 -0.078 0.000 0.840 32 E CB -0.447 29.209 29.700 -0.072 0.000 0.772 32 E HN 0.778 nan 8.360 nan 0.000 0.491 33 Q N 0.615 120.340 119.800 -0.125 0.000 2.020 33 Q HA -0.137 4.204 4.340 0.000 0.000 0.198 33 Q C 2.312 178.280 176.000 -0.052 0.000 0.974 33 Q CA 0.988 56.727 55.803 -0.106 0.000 0.829 33 Q CB -0.038 28.597 28.738 -0.172 0.000 0.894 33 Q HN 0.387 nan 8.270 nan 0.000 0.433 34 L N 1.372 122.564 121.223 -0.053 0.000 2.079 34 L HA -0.212 4.128 4.340 0.000 0.000 0.210 34 L C 2.326 179.190 176.870 -0.011 0.000 1.081 34 L CA 2.016 56.841 54.840 -0.024 0.000 0.752 34 L CB -0.607 41.433 42.059 -0.032 0.000 0.896 34 L HN 0.286 nan 8.230 nan 0.000 0.433 35 Q N -0.779 119.008 119.800 -0.022 0.000 2.291 35 Q HA -0.171 4.170 4.340 0.000 0.000 0.206 35 Q C 2.135 178.137 176.000 0.004 0.000 0.976 35 Q CA 1.924 57.719 55.803 -0.014 0.000 0.875 35 Q CB -0.484 28.241 28.738 -0.022 0.000 0.927 35 Q HN 0.732 nan 8.270 nan 0.000 0.450 36 T N -2.206 112.354 114.554 0.011 0.000 2.929 36 T HA -0.118 4.232 4.350 0.000 0.000 0.271 36 T C 1.683 176.429 174.700 0.076 0.000 1.085 36 T CA 1.069 63.188 62.100 0.032 0.000 1.125 36 T CB -0.320 68.563 68.868 0.025 0.000 0.874 36 T HN 0.319 nan 8.240 nan 0.000 0.494 37 L N 1.701 122.983 121.223 0.098 0.000 2.131 37 L HA -0.021 4.319 4.340 0.000 0.000 0.210 37 L C 2.988 179.929 176.870 0.118 0.000 1.092 37 L CA 1.721 56.683 54.840 0.204 0.000 0.759 37 L CB -0.995 41.164 42.059 0.167 0.000 0.903 37 L HN 0.550 nan 8.230 nan 0.000 0.435 38 T N -5.656 108.914 114.554 0.027 0.000 3.086 38 T HA 0.063 4.413 4.350 0.000 0.000 0.250 38 T C 1.179 175.888 174.700 0.015 0.000 1.074 38 T CA 0.507 62.601 62.100 -0.011 0.000 0.988 38 T CB -0.008 68.837 68.868 -0.039 0.000 0.988 38 T HN 0.433 nan 8.240 nan 0.000 0.530 39 T N -0.260 114.315 114.554 0.036 0.000 3.257 39 T HA 0.107 4.457 4.350 0.000 0.000 0.176 39 T C 2.079 176.804 174.700 0.041 0.000 0.892 39 T CA 0.817 62.934 62.100 0.028 0.000 1.147 39 T CB -0.308 68.570 68.868 0.015 0.000 1.840 39 T HN 0.221 nan 8.240 nan 0.000 0.375 40 T N 0.565 115.141 114.554 0.037 0.000 2.962 40 T HA 0.285 4.635 4.350 0.000 0.000 0.270 40 T C 1.963 176.687 174.700 0.041 0.000 1.088 40 T CA 0.959 63.078 62.100 0.031 0.000 1.127 40 T CB -0.650 68.230 68.868 0.021 0.000 0.883 40 T HN 0.641 nan 8.240 nan 0.000 0.493 41 A N 0.347 123.209 122.820 0.070 0.000 2.308 41 A HA 0.811 5.131 4.320 0.000 0.000 0.217 41 A C 2.462 180.158 177.584 0.187 0.000 1.216 41 A CA 0.622 52.706 52.037 0.077 0.000 0.864 41 A CB -0.631 18.403 19.000 0.057 0.000 0.902 41 A HN 0.601 nan 8.150 nan 0.000 0.499 42 A N 0.369 123.306 122.820 0.195 0.000 1.908 42 A HA 0.106 4.426 4.320 0.000 0.000 0.218 42 A C 2.317 180.030 177.584 0.216 0.000 1.181 42 A CA 1.858 54.039 52.037 0.240 0.000 0.627 42 A CB -0.745 18.313 19.000 0.097 0.000 0.818 42 A HN 1.063 nan 8.150 nan 0.000 0.445 43 A N -0.796 122.094 122.820 0.116 0.000 2.168 43 A HA 0.192 4.512 4.320 0.000 0.000 0.215 43 A C 1.990 179.612 177.584 0.064 0.000 1.152 43 A CA 1.022 53.106 52.037 0.078 0.000 0.716 43 A CB -0.449 18.575 19.000 0.041 0.000 0.794 43 A HN 0.479 nan 8.150 nan 0.000 0.465 44 L N -1.939 119.309 121.223 0.042 0.000 2.179 44 L HA 0.088 4.428 4.340 0.000 0.000 0.208 44 L C 0.390 177.224 176.870 -0.060 0.000 1.096 44 L CA -0.191 54.620 54.840 -0.048 0.000 0.779 44 L CB -0.401 41.573 42.059 -0.142 0.000 0.922 44 L HN 0.259 nan 8.230 nan 0.000 0.443 45 F N 0.869 120.814 119.950 -0.009 0.000 2.602 45 F HA 0.194 4.721 4.527 0.000 0.000 0.367 45 F C 1.574 177.370 175.800 -0.007 0.000 1.126 45 F CA 1.214 59.208 58.000 -0.011 0.000 1.321 45 F CB 0.207 39.199 39.000 -0.013 0.000 1.094 45 F HN 0.169 nan 8.300 nan 0.000 0.594 46 G N 1.607 110.512 108.800 0.174 0.000 2.160 46 G HA2 -0.227 3.733 3.960 0.000 0.000 0.251 46 G HA3 -0.227 3.733 3.960 0.000 0.000 0.251 46 G C 0.047 174.986 174.900 0.064 0.000 1.008 46 G CA 0.320 45.485 45.100 0.108 0.000 0.724 46 G HN 1.059 nan 8.290 nan 0.000 0.514 47 T N -2.898 111.683 114.554 0.045 0.000 2.930 47 T HA 0.738 5.088 4.350 0.000 0.000 0.290 47 T C 0.212 174.938 174.700 0.043 0.000 1.052 47 T CA 0.317 62.436 62.100 0.031 0.000 1.017 47 T CB 2.014 70.891 68.868 0.015 0.000 1.137 47 T HN 1.032 nan 8.240 nan 0.000 0.511 48 S N 0.765 116.487 115.700 0.036 0.000 2.531 48 S HA 0.103 4.573 4.470 0.000 0.000 0.279 48 S C 1.450 176.081 174.600 0.052 0.000 1.305 48 S CA -0.570 57.664 58.200 0.056 0.000 1.058 48 S CB -0.108 63.074 63.200 -0.030 0.000 0.899 48 S HN 0.921 nan 8.310 nan 0.000 0.493 49 H N 5.039 124.077 119.070 -0.053 0.000 2.563 49 H HA 0.175 4.731 4.556 0.000 0.000 0.272 49 H C 0.675 175.971 175.328 -0.053 0.000 1.005 49 H CA 0.239 56.250 56.048 -0.062 0.000 1.171 49 H CB -0.072 29.648 29.762 -0.071 0.000 1.351 49 H HN 0.480 nan 8.280 nan 0.000 0.602 50 R N 0.715 120.983 120.500 -0.386 0.000 2.427 50 R HA 0.251 4.592 4.340 0.000 0.000 0.262 50 R C 0.082 176.297 176.300 -0.142 0.000 0.943 50 R CA -0.053 55.880 56.100 -0.279 0.000 1.081 50 R CB 0.687 30.790 30.300 -0.330 0.000 1.166 50 R HN 0.404 nan 8.270 nan 0.000 0.534 51 Q N -1.118 118.623 119.800 -0.098 0.000 2.445 51 Q HA 0.510 4.850 4.340 0.000 0.000 0.281 51 Q C 0.671 176.644 176.000 -0.044 0.000 1.101 51 Q CA -0.421 55.346 55.803 -0.060 0.000 0.833 51 Q CB 1.664 30.374 28.738 -0.047 0.000 1.416 51 Q HN -0.053 nan 8.270 nan 0.000 0.451 52 A N 1.448 124.247 122.820 -0.035 0.000 1.908 52 A HA -0.119 4.202 4.320 0.000 0.000 0.218 52 A C -0.763 176.804 177.584 -0.028 0.000 1.181 52 A CA 1.819 53.839 52.037 -0.030 0.000 0.627 52 A CB -1.492 17.494 19.000 -0.024 0.000 0.818 52 A HN 0.512 nan 8.150 nan 0.000 0.445 53 P HA -0.107 nan 4.420 nan 0.000 0.215 53 P C 1.618 178.895 177.300 -0.037 0.000 1.157 53 P CA 1.402 64.485 63.100 -0.028 0.000 0.868 53 P CB -0.090 31.596 31.700 -0.023 0.000 0.788 54 V N -0.167 119.725 119.914 -0.037 0.000 2.453 54 V HA -0.181 3.939 4.120 0.000 0.000 0.247 54 V C 2.191 178.261 176.094 -0.039 0.000 1.048 54 V CA 1.639 63.912 62.300 -0.045 0.000 1.049 54 V CB -1.011 30.796 31.823 -0.026 0.000 0.672 54 V HN 0.113 nan 8.190 nan 0.000 0.457 55 K N 0.514 120.894 120.400 -0.033 0.000 2.103 55 K HA -0.247 4.073 4.320 0.000 0.000 0.207 55 K C 2.034 178.613 176.600 -0.035 0.000 1.048 55 K CA 1.914 58.180 56.287 -0.035 0.000 0.930 55 K CB -0.327 32.152 32.500 -0.036 0.000 0.716 55 K HN 0.458 nan 8.250 nan 0.000 0.444 56 N N 0.998 119.679 118.700 -0.033 0.000 2.166 56 N HA -0.171 4.570 4.740 0.000 0.000 0.186 56 N C 1.645 177.135 175.510 -0.034 0.000 1.019 56 N CA 0.663 53.695 53.050 -0.029 0.000 0.856 56 N CB -0.039 38.433 38.487 -0.025 0.000 0.993 56 N HN 0.048 nan 8.380 nan 0.000 0.426 57 L N -0.005 121.191 121.223 -0.044 0.000 2.027 57 L HA -0.022 4.318 4.340 0.000 0.000 0.206 57 L C 1.978 178.815 176.870 -0.055 0.000 1.074 57 L CA 1.370 56.178 54.840 -0.054 0.000 0.745 57 L CB -0.793 41.220 42.059 -0.077 0.000 0.898 57 L HN 0.051 nan 8.230 nan 0.000 0.433 58 V N 0.387 120.266 119.914 -0.058 0.000 2.332 58 V HA -0.252 3.868 4.120 0.000 0.000 0.248 58 V C 2.642 178.708 176.094 -0.047 0.000 1.055 58 V CA 1.848 64.110 62.300 -0.063 0.000 1.038 58 V CB -1.724 30.060 31.823 -0.066 0.000 0.651 58 V HN 0.655 nan 8.190 nan 0.000 0.450 59 G N -0.486 108.293 108.800 -0.036 0.000 2.422 59 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 59 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 59 G C 1.752 176.642 174.900 -0.016 0.000 1.146 59 G CA 0.721 45.808 45.100 -0.023 0.000 0.769 59 G HN 0.432 nan 8.290 nan 0.000 0.547 60 R N -0.370 120.119 120.500 -0.019 0.000 2.081 60 R HA -0.022 4.318 4.340 0.000 0.000 0.235 60 R C 2.682 178.977 176.300 -0.008 0.000 1.131 60 R CA 1.145 57.238 56.100 -0.011 0.000 0.960 60 R CB -0.461 29.831 30.300 -0.014 0.000 0.856 60 R HN 0.312 nan 8.270 nan 0.000 0.436 61 V N 0.898 120.799 119.914 -0.023 0.000 2.270 61 V HA -0.251 3.870 4.120 0.000 0.000 0.245 61 V C 2.305 178.395 176.094 -0.008 0.000 1.043 61 V CA 1.763 64.046 62.300 -0.029 0.000 1.014 61 V CB -0.448 31.337 31.823 -0.063 0.000 0.645 61 V HN 0.311 nan 8.190 nan 0.000 0.447 62 R N -0.043 120.451 120.500 -0.010 0.000 2.073 62 R HA -0.153 4.188 4.340 0.000 0.000 0.234 62 R C 2.677 179.001 176.300 0.040 0.000 1.134 62 R CA 1.711 57.819 56.100 0.013 0.000 0.952 62 R CB -0.695 29.604 30.300 -0.001 0.000 0.850 62 R HN 0.494 nan 8.270 nan 0.000 0.433 63 S N -0.023 115.692 115.700 0.026 0.000 2.368 63 S HA -0.102 4.368 4.470 0.000 0.000 0.225 63 S C 2.083 176.708 174.600 0.041 0.000 1.030 63 S CA 1.467 59.686 58.200 0.032 0.000 0.999 63 S CB -0.428 62.782 63.200 0.017 0.000 0.844 63 S HN 0.518 nan 8.310 nan 0.000 0.459 64 G N 1.493 110.314 108.800 0.036 0.000 2.421 64 G HA2 -0.086 3.874 3.960 0.000 0.000 0.216 64 G HA3 -0.086 3.874 3.960 0.000 0.000 0.216 64 G C 1.443 176.386 174.900 0.072 0.000 1.171 64 G CA 0.883 46.008 45.100 0.042 0.000 0.775 64 G HN 0.522 nan 8.290 nan 0.000 0.543 65 L N 0.713 122.003 121.223 0.112 0.000 2.083 65 L HA -0.041 4.299 4.340 0.000 0.000 0.209 65 L C 3.400 180.436 176.870 0.277 0.000 1.083 65 L CA 0.900 55.887 54.840 0.244 0.000 0.752 65 L CB -0.384 41.853 42.059 0.297 0.000 0.899 65 L HN 0.303 nan 8.230 nan 0.000 0.433 66 A N 0.109 123.033 122.820 0.173 0.000 1.908 66 A HA -0.264 4.056 4.320 0.000 0.000 0.218 66 A C 2.205 179.850 177.584 0.101 0.000 1.181 66 A CA 2.033 54.156 52.037 0.144 0.000 0.627 66 A CB -0.425 18.633 19.000 0.097 0.000 0.818 66 A HN 0.428 nan 8.150 nan 0.000 0.445 67 E N -0.171 120.066 120.200 0.061 0.000 2.028 67 E HA -0.147 4.203 4.350 0.000 0.000 0.191 67 E C 1.797 178.387 176.600 -0.017 0.000 0.988 67 E CA 1.312 57.723 56.400 0.019 0.000 0.799 67 E CB -0.534 29.168 29.700 0.004 0.000 0.755 67 E HN 0.354 nan 8.360 nan 0.000 0.447 68 L N -0.400 120.793 121.223 -0.051 0.000 2.042 68 L HA -0.064 4.276 4.340 0.000 0.000 0.210 68 L C 1.558 178.219 176.870 -0.348 0.000 1.076 68 L CA 1.753 56.456 54.840 -0.228 0.000 0.749 68 L CB -0.440 41.423 42.059 -0.327 0.000 0.893 68 L HN 0.188 nan 8.230 nan 0.000 0.432 69 F N -0.252 119.719 119.950 0.035 0.000 2.660 69 F HA 0.257 4.785 4.527 0.000 0.000 0.302 69 F C 1.390 177.154 175.800 -0.059 0.000 1.103 69 F CA 0.056 58.048 58.000 -0.013 0.000 1.340 69 F CB -0.706 38.296 39.000 0.003 0.000 1.048 69 F HN -0.057 nan 8.300 nan 0.000 0.551 70 S N 1.162 116.903 115.700 0.068 0.000 3.550 70 S HA -0.205 4.265 4.470 0.000 0.000 0.372 70 S C 0.126 174.714 174.600 -0.019 0.000 0.966 70 S CA -0.298 57.910 58.200 0.013 0.000 1.229 70 S CB -1.724 61.469 63.200 -0.011 0.000 0.917 70 S HN 0.139 nan 8.310 nan 0.000 0.496 71 L N 1.937 123.164 121.223 0.007 0.000 2.559 71 L HA 0.215 4.556 4.340 0.000 0.000 0.274 71 L C -1.228 175.590 176.870 -0.087 0.000 1.205 71 L CA -0.613 54.188 54.840 -0.066 0.000 0.907 71 L CB -0.480 41.611 42.059 0.053 0.000 1.153 71 L HN 0.136 nan 8.230 nan 0.000 0.490 72 P HA 0.061 nan 4.420 nan 0.000 0.271 72 P C -0.911 176.463 177.300 0.123 0.000 1.244 72 P CA -0.543 62.517 63.100 -0.068 0.000 0.793 72 P CB 0.354 31.974 31.700 -0.134 0.000 0.984 73 D N 0.092 120.565 120.400 0.121 0.000 2.525 73 D HA 0.234 4.874 4.640 0.000 0.000 0.235 73 D C 1.626 178.040 176.300 0.191 0.000 1.137 73 D CA 1.839 55.915 54.000 0.127 0.000 0.868 73 D CB -0.169 40.682 40.800 0.084 0.000 1.180 73 D HN 0.687 nan 8.370 nan 0.000 0.465 74 G N 1.264 110.149 108.800 0.141 0.000 2.234 74 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 74 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 74 G C 0.151 175.104 174.900 0.088 0.000 0.987 74 G CA 0.027 45.181 45.100 0.090 0.000 0.625 74 G HN 0.457 nan 8.290 nan 0.000 0.532 75 Y N 1.663 121.981 120.300 0.029 0.000 2.397 75 Y HA 0.554 5.104 4.550 0.000 0.000 0.335 75 Y C 0.901 176.824 175.900 0.038 0.000 1.213 75 Y CA 0.005 58.126 58.100 0.035 0.000 1.391 75 Y CB 0.703 39.186 38.460 0.037 0.000 1.293 75 Y HN 0.120 nan 8.280 nan 0.000 0.557 76 E N 1.078 121.372 120.200 0.157 0.000 2.317 76 E HA 0.364 4.715 4.350 0.000 0.000 0.270 76 E C -1.415 175.252 176.600 0.111 0.000 0.885 76 E CA -0.891 55.574 56.400 0.107 0.000 0.760 76 E CB 2.636 32.368 29.700 0.054 0.000 1.227 76 E HN 0.253 nan 8.360 nan 0.000 0.434 77 V N 3.709 123.675 119.914 0.087 0.000 2.408 77 V HA 0.215 4.335 4.120 0.000 0.000 0.267 77 V C 0.151 176.256 176.094 0.018 0.000 1.047 77 V CA -0.369 61.967 62.300 0.061 0.000 0.937 77 V CB 0.280 32.136 31.823 0.054 0.000 0.999 77 V HN 0.434 nan 8.190 nan 0.000 0.472 78 I N 6.646 127.233 120.570 0.028 0.000 2.493 78 I HA 0.657 4.827 4.170 0.000 0.000 0.298 78 I C -0.136 175.928 176.117 -0.088 0.000 0.998 78 I CA -0.567 60.753 61.300 0.033 0.000 1.137 78 I CB 1.633 39.745 38.000 0.186 0.000 1.310 78 I HN 0.582 nan 8.210 nan 0.000 0.445 79 L N 2.158 123.170 121.223 -0.352 0.000 2.479 79 L HA 1.113 5.453 4.340 0.000 0.000 0.255 79 L C -0.513 175.605 176.870 -1.254 0.000 1.026 79 L CA -0.580 53.769 54.840 -0.819 0.000 0.842 79 L CB 2.454 44.211 42.059 -0.503 0.000 1.444 79 L HN 0.666 nan 8.230 nan 0.000 0.409 80 G N 0.031 107.723 108.800 -1.846 0.000 2.632 80 G HA2 0.312 4.272 3.960 0.000 0.000 0.292 80 G HA3 0.312 4.272 3.960 0.000 0.000 0.292 80 G C -1.981 172.274 174.900 -1.074 0.000 1.465 80 G CA -0.956 43.332 45.100 -1.354 0.000 0.824 80 G HN 0.802 nan 8.290 nan 0.000 0.509 81 N N -0.739 117.697 118.700 -0.441 0.000 2.453 81 N HA 0.423 5.163 4.740 0.000 0.000 0.253 81 N C 1.189 176.805 175.510 0.177 0.000 1.252 81 N CA 1.358 54.352 53.050 -0.094 0.000 0.917 81 N CB 0.857 39.451 38.487 0.178 0.000 1.117 81 N HN 1.279 nan 8.380 nan 0.000 0.442 82 G N -0.057 108.892 108.800 0.248 0.000 2.624 82 G HA2 0.104 4.064 3.960 0.000 0.000 0.190 82 G HA3 0.104 4.064 3.960 0.000 0.000 0.190 82 G C 0.350 175.392 174.900 0.237 0.000 1.008 82 G CA 0.015 45.332 45.100 0.361 0.000 0.731 82 G HN 1.146 nan 8.290 nan 0.000 0.478 83 G N -0.458 108.478 108.800 0.227 0.000 2.796 83 G HA2 0.323 4.283 3.960 0.000 0.000 0.571 83 G HA3 0.323 4.283 3.960 0.000 0.000 0.571 83 G C 1.095 176.034 174.900 0.065 0.000 1.370 83 G CA 1.003 46.173 45.100 0.117 0.000 0.856 83 G HN 1.815 nan 8.290 nan 0.000 0.538 84 A N -1.209 121.546 122.820 -0.108 0.000 1.972 84 A HA 0.132 4.453 4.320 0.000 0.000 0.219 84 A C 2.601 179.754 177.584 -0.717 0.000 1.169 84 A CA 2.954 54.808 52.037 -0.305 0.000 0.635 84 A CB -0.829 17.991 19.000 -0.300 0.000 0.810 84 A HN 1.568 nan 8.150 nan 0.000 0.446 85 T N 0.294 114.453 114.554 -0.658 0.000 2.788 85 T HA -0.036 4.314 4.350 0.000 0.000 0.268 85 T C 2.167 176.721 174.700 -0.243 0.000 1.044 85 T CA 1.469 63.166 62.100 -0.670 0.000 1.139 85 T CB -0.354 68.373 68.868 -0.236 0.000 0.867 85 T HN 0.601 nan 8.240 nan 0.000 0.454 86 A N 0.858 123.614 122.820 -0.107 0.000 1.898 86 A HA 0.025 4.345 4.320 0.000 0.000 0.216 86 A C 1.982 179.422 177.584 -0.241 0.000 1.181 86 A CA 1.068 53.108 52.037 0.006 0.000 0.620 86 A CB -0.953 18.196 19.000 0.249 0.000 0.819 86 A HN 0.478 nan 8.150 nan 0.000 0.442 87 F N -0.348 119.202 119.950 -0.666 0.000 2.161 87 F HA -0.213 4.314 4.527 0.000 0.000 0.300 87 F C 2.012 177.404 175.800 -0.680 0.000 1.089 87 F CA 1.547 58.923 58.000 -1.040 0.000 1.282 87 F CB -0.197 38.016 39.000 -1.312 0.000 1.010 87 F HN 0.390 nan 8.300 nan 0.000 0.485 88 W N 1.103 122.093 121.300 -0.517 0.000 2.318 88 W HA -0.233 4.427 4.660 0.000 0.000 0.313 88 W C 2.342 178.714 176.519 -0.244 0.000 1.221 88 W CA 1.413 58.434 57.345 -0.539 0.000 1.266 88 W CB -1.479 27.846 29.460 -0.225 0.000 1.150 88 W HN 0.105 nan 8.180 nan 0.000 0.496 89 D N -0.504 119.949 120.400 0.089 0.000 2.149 89 D HA -0.073 4.568 4.640 0.000 0.000 0.201 89 D C 2.262 178.578 176.300 0.026 0.000 0.972 89 D CA 1.780 55.850 54.000 0.117 0.000 0.835 89 D CB -0.715 40.196 40.800 0.185 0.000 0.966 89 D HN 0.032 nan 8.370 nan 0.000 0.476 90 A N 1.278 123.947 122.820 -0.252 0.000 1.908 90 A HA -0.102 4.218 4.320 0.000 0.000 0.218 90 A C 2.323 179.633 177.584 -0.456 0.000 1.181 90 A CA 2.273 54.068 52.037 -0.404 0.000 0.627 90 A CB -0.625 17.956 19.000 -0.699 0.000 0.818 90 A HN 0.245 nan 8.150 nan 0.000 0.445 91 A N -0.365 122.035 122.820 -0.700 0.000 1.930 91 A HA 0.243 4.563 4.320 0.000 0.000 0.217 91 A C 2.476 179.999 177.584 -0.102 0.000 1.175 91 A CA 1.816 53.550 52.037 -0.505 0.000 0.627 91 A CB -0.912 17.735 19.000 -0.590 0.000 0.815 91 A HN 1.021 nan 8.150 nan 0.000 0.443 92 A N -1.045 121.779 122.820 0.006 0.000 1.902 92 A HA -0.026 4.294 4.320 0.000 0.000 0.217 92 A C 1.942 179.471 177.584 -0.092 0.000 1.181 92 A CA 1.559 53.592 52.037 -0.008 0.000 0.623 92 A CB -0.714 18.268 19.000 -0.030 0.000 0.818 92 A HN 0.457 nan 8.150 nan 0.000 0.443 93 F N -0.346 119.528 119.950 -0.126 0.000 2.206 93 F HA 0.088 4.615 4.527 0.000 0.000 0.298 93 F C 2.446 178.146 175.800 -0.167 0.000 1.090 93 F CA 1.473 59.365 58.000 -0.181 0.000 1.323 93 F CB -0.205 38.601 39.000 -0.323 0.000 1.028 93 F HN 0.309 nan 8.300 nan 0.000 0.492 94 G N -1.930 106.868 108.800 -0.004 0.000 2.848 94 G HA2 0.162 4.122 3.960 0.000 0.000 0.213 94 G HA3 0.162 4.122 3.960 0.000 0.000 0.213 94 G C 1.292 176.153 174.900 -0.065 0.000 1.101 94 G CA 0.030 45.089 45.100 -0.068 0.000 0.778 94 G HN 0.273 nan 8.290 nan 0.000 0.536 95 L N 0.136 121.322 121.223 -0.061 0.000 2.577 95 L HA 0.476 4.816 4.340 0.000 0.000 0.225 95 L C 0.454 177.328 176.870 0.006 0.000 1.053 95 L CA 0.030 54.855 54.840 -0.025 0.000 0.866 95 L CB 0.443 42.493 42.059 -0.016 0.000 1.132 95 L HN -0.006 nan 8.230 nan 0.000 0.486 96 I N 0.705 121.282 120.570 0.011 0.000 2.416 96 I HA -0.026 4.144 4.170 0.000 0.000 0.288 96 I C 0.818 176.946 176.117 0.018 0.000 1.051 96 I CA 0.034 61.344 61.300 0.016 0.000 1.375 96 I CB 1.136 39.145 38.000 0.014 0.000 1.407 96 I HN 0.069 nan 8.210 nan 0.000 0.516 97 D N 5.094 125.505 120.400 0.019 0.000 2.278 97 D HA -0.053 4.587 4.640 0.000 0.000 0.228 97 D C 1.603 177.919 176.300 0.026 0.000 1.020 97 D CA 1.534 55.548 54.000 0.024 0.000 0.922 97 D CB 0.502 41.314 40.800 0.021 0.000 1.051 97 D HN 0.286 nan 8.370 nan 0.000 0.452 98 K N -0.784 119.628 120.400 0.019 0.000 2.286 98 K HA 0.271 4.591 4.320 0.000 0.000 0.203 98 K C 0.712 177.317 176.600 0.009 0.000 1.078 98 K CA 0.058 56.354 56.287 0.015 0.000 0.957 98 K CB 1.187 33.695 32.500 0.013 0.000 1.018 98 K HN 0.053 nan 8.250 nan 0.000 0.484 99 R N 0.738 121.244 120.500 0.010 0.000 2.604 99 R HA 0.194 4.535 4.340 0.000 0.000 0.261 99 R C -1.460 174.846 176.300 0.011 0.000 1.080 99 R CA -0.119 55.986 56.100 0.009 0.000 0.917 99 R CB 1.688 31.993 30.300 0.008 0.000 1.252 99 R HN 0.161 nan 8.270 nan 0.000 0.456 100 S N 3.144 118.855 115.700 0.019 0.000 2.600 100 S HA 0.629 5.099 4.470 0.000 0.000 0.300 100 S C -0.891 173.729 174.600 0.033 0.000 1.087 100 S CA -0.910 57.286 58.200 -0.006 0.000 0.965 100 S CB 1.952 65.123 63.200 -0.049 0.000 1.089 100 S HN 0.534 nan 8.310 nan 0.000 0.496 101 L N 2.233 123.438 121.223 -0.030 0.000 2.322 101 L HA 0.595 4.936 4.340 0.000 0.000 0.281 101 L C -1.028 175.791 176.870 -0.084 0.000 1.014 101 L CA -0.430 54.423 54.840 0.022 0.000 0.815 101 L CB 1.047 43.126 42.059 0.033 0.000 1.247 101 L HN 0.817 nan 8.230 nan 0.000 0.421 102 H N 5.868 124.949 119.070 0.018 0.000 2.538 102 H HA 0.402 4.958 4.556 0.000 0.000 0.353 102 H C -0.922 174.471 175.328 0.109 0.000 1.109 102 H CA -0.747 55.332 56.048 0.052 0.000 1.192 102 H CB 2.166 31.887 29.762 -0.069 0.000 1.555 102 H HN 0.492 nan 8.280 nan 0.000 0.518 103 L N 2.720 124.131 121.223 0.314 0.000 2.326 103 L HA 0.289 4.629 4.340 0.000 0.000 0.278 103 L C 0.603 177.697 176.870 0.373 0.000 1.092 103 L CA -0.432 54.610 54.840 0.337 0.000 0.810 103 L CB 1.143 43.426 42.059 0.374 0.000 1.153 103 L HN 0.633 nan 8.230 nan 0.000 0.439 104 T N -0.464 114.278 114.554 0.314 0.000 2.881 104 T HA 0.585 4.935 4.350 0.000 0.000 0.290 104 T C -0.456 174.392 174.700 0.248 0.000 1.000 104 T CA -0.482 61.694 62.100 0.127 0.000 0.978 104 T CB 1.381 70.269 68.868 0.034 0.000 0.997 104 T HN 0.604 nan 8.240 nan 0.000 0.443 105 Y N 0.119 120.469 120.300 0.083 0.000 3.075 105 Y HA 0.666 5.217 4.550 0.000 0.000 0.270 105 Y C 0.138 176.094 175.900 0.094 0.000 1.071 105 Y CA -0.650 57.495 58.100 0.076 0.000 1.269 105 Y CB 0.056 38.558 38.460 0.070 0.000 1.291 105 Y HN 1.207 nan 8.280 nan 0.000 0.613 106 G N 0.165 108.922 108.800 -0.071 0.000 2.317 106 G HA2 0.206 4.166 3.960 0.000 0.000 0.293 106 G HA3 0.206 4.166 3.960 0.000 0.000 0.293 106 G C -0.484 174.319 174.900 -0.160 0.000 1.287 106 G CA -0.127 44.944 45.100 -0.048 0.000 0.850 106 G HN -0.012 nan 8.290 nan 0.000 0.515 107 E N -0.527 119.507 120.200 -0.276 0.000 2.049 107 E HA -0.055 4.295 4.350 0.000 0.000 0.198 107 E C 1.966 178.270 176.600 -0.493 0.000 1.007 107 E CA 2.494 58.595 56.400 -0.499 0.000 0.809 107 E CB -0.284 28.796 29.700 -1.034 0.000 0.749 107 E HN 0.394 nan 8.360 nan 0.000 0.450 108 F N 0.452 120.378 119.950 -0.040 0.000 2.219 108 F HA -0.001 4.526 4.527 0.000 0.000 0.294 108 F C 2.729 178.522 175.800 -0.011 0.000 1.086 108 F CA 1.091 59.154 58.000 0.105 0.000 1.330 108 F CB -0.886 38.249 39.000 0.225 0.000 1.047 108 F HN 0.098 nan 8.300 nan 0.000 0.495 109 S N 0.528 116.247 115.700 0.032 0.000 2.368 109 S HA -0.183 4.287 4.470 0.000 0.000 0.225 109 S C 2.265 176.807 174.600 -0.096 0.000 1.030 109 S CA 0.899 59.066 58.200 -0.056 0.000 0.999 109 S CB -1.120 61.831 63.200 -0.415 0.000 0.844 109 S HN 0.255 nan 8.310 nan 0.000 0.459 110 A N 2.134 124.863 122.820 -0.151 0.000 1.902 110 A HA -0.022 4.298 4.320 0.000 0.000 0.217 110 A C 2.210 179.667 177.584 -0.213 0.000 1.181 110 A CA 1.911 53.857 52.037 -0.151 0.000 0.623 110 A CB -0.684 18.245 19.000 -0.119 0.000 0.818 110 A HN 0.467 nan 8.150 nan 0.000 0.443 111 K N -0.970 119.271 120.400 -0.265 0.000 2.097 111 K HA -0.062 4.259 4.320 0.000 0.000 0.205 111 K C 1.559 177.832 176.600 -0.544 0.000 1.050 111 K CA 1.142 57.231 56.287 -0.330 0.000 0.938 111 K CB -0.577 31.778 32.500 -0.242 0.000 0.718 111 K HN 0.357 nan 8.250 nan 0.000 0.442 112 F N 0.882 120.196 119.950 -1.060 0.000 2.134 112 F HA -0.009 4.518 4.527 0.000 0.000 0.299 112 F C 1.832 177.289 175.800 -0.571 0.000 1.097 112 F CA 1.159 58.532 58.000 -1.046 0.000 1.264 112 F CB -1.000 37.419 39.000 -0.970 0.000 1.001 112 F HN 0.065 nan 8.300 nan 0.000 0.479 113 A N -0.848 121.615 122.820 -0.595 0.000 1.908 113 A HA -0.211 4.109 4.320 0.000 0.000 0.218 113 A C 2.468 179.734 177.584 -0.531 0.000 1.181 113 A CA 2.049 53.539 52.037 -0.911 0.000 0.627 113 A CB -1.438 17.213 19.000 -0.581 0.000 0.818 113 A HN 0.449 nan 8.150 nan 0.000 0.445 114 S N -0.521 114.986 115.700 -0.322 0.000 2.368 114 S HA -0.016 4.454 4.470 0.000 0.000 0.224 114 S C 2.184 176.695 174.600 -0.148 0.000 1.029 114 S CA 1.514 59.598 58.200 -0.193 0.000 0.988 114 S CB -0.491 62.633 63.200 -0.127 0.000 0.838 114 S HN 0.820 nan 8.310 nan 0.000 0.462 115 A N 0.870 123.613 122.820 -0.129 0.000 1.883 115 A HA -0.030 4.290 4.320 0.000 0.000 0.217 115 A C 2.343 179.886 177.584 -0.067 0.000 1.186 115 A CA 1.906 53.930 52.037 -0.021 0.000 0.624 115 A CB -1.119 17.950 19.000 0.115 0.000 0.822 115 A HN 0.456 nan 8.150 nan 0.000 0.444 116 V N 0.043 119.847 119.914 -0.183 0.000 2.343 116 V HA -0.227 3.893 4.120 0.000 0.000 0.247 116 V C 2.786 178.779 176.094 -0.167 0.000 1.051 116 V CA 2.313 64.491 62.300 -0.204 0.000 1.036 116 V CB -0.864 30.741 31.823 -0.364 0.000 0.654 116 V HN 0.576 nan 8.190 nan 0.000 0.451 117 S N -0.255 115.328 115.700 -0.195 0.000 2.383 117 S HA -0.239 4.232 4.470 0.000 0.000 0.229 117 S C 1.903 176.451 174.600 -0.087 0.000 1.030 117 S CA 1.616 59.735 58.200 -0.134 0.000 1.002 117 S CB -0.281 62.837 63.200 -0.137 0.000 0.829 117 S HN 0.624 nan 8.310 nan 0.000 0.467 118 K N 1.107 121.466 120.400 -0.070 0.000 2.305 118 K HA 0.093 4.413 4.320 0.000 0.000 0.199 118 K C 0.643 177.227 176.600 -0.026 0.000 1.047 118 K CA -0.030 56.236 56.287 -0.035 0.000 0.976 118 K CB -0.053 32.442 32.500 -0.008 0.000 0.765 118 K HN 0.158 nan 8.250 nan 0.000 0.474 119 N N 2.559 121.232 118.700 -0.045 0.000 2.431 119 N HA -0.003 4.737 4.740 0.000 0.000 0.265 119 N C -2.067 173.417 175.510 -0.044 0.000 1.184 119 N CA -1.170 51.854 53.050 -0.044 0.000 0.943 119 N CB 1.064 39.471 38.487 -0.133 0.000 1.080 119 N HN -0.027 nan 8.380 nan 0.000 0.477 120 P HA 0.099 nan 4.420 nan 0.000 0.255 120 P C 0.025 177.068 177.300 -0.428 0.000 1.357 120 P CA 0.232 63.201 63.100 -0.219 0.000 0.839 120 P CB -0.267 31.275 31.700 -0.263 0.000 1.356 121 F N -0.116 119.771 119.950 -0.105 0.000 2.704 121 F HA 0.098 4.625 4.527 0.000 0.000 0.304 121 F C 1.382 177.140 175.800 -0.070 0.000 1.094 121 F CA -0.093 57.866 58.000 -0.067 0.000 1.275 121 F CB 0.418 39.356 39.000 -0.103 0.000 1.073 121 F HN -0.210 nan 8.300 nan 0.000 0.586 122 V N -3.069 116.857 119.914 0.021 0.000 3.141 122 V HA 0.935 5.056 4.120 0.000 0.000 0.312 122 V C 0.420 176.499 176.094 -0.026 0.000 1.157 122 V CA -1.079 61.222 62.300 0.001 0.000 1.041 122 V CB 0.758 32.575 31.823 -0.011 0.000 1.071 122 V HN -0.008 nan 8.190 nan 0.000 0.441 123 G N 0.104 108.893 108.800 -0.018 0.000 2.683 123 G HA2 0.413 4.373 3.960 0.000 0.000 0.260 123 G HA3 0.413 4.373 3.960 0.000 0.000 0.260 123 G C -0.390 174.489 174.900 -0.034 0.000 1.238 123 G CA -0.176 44.910 45.100 -0.024 0.000 0.934 123 G HN 1.064 nan 8.290 nan 0.000 0.534 124 E N 1.011 121.192 120.200 -0.032 0.000 2.180 124 E HA 0.296 4.646 4.350 0.000 0.000 0.283 124 E C -1.891 174.692 176.600 -0.028 0.000 1.061 124 E CA -1.830 54.546 56.400 -0.039 0.000 0.861 124 E CB 0.824 30.504 29.700 -0.034 0.000 1.056 124 E HN 0.155 nan 8.360 nan 0.000 0.407 125 P HA 0.074 nan 4.420 nan 0.000 0.272 125 P C -0.253 177.053 177.300 0.010 0.000 1.223 125 P CA -0.008 63.094 63.100 0.003 0.000 0.784 125 P CB 0.681 32.367 31.700 -0.025 0.000 0.923 126 I N 2.736 123.331 120.570 0.041 0.000 2.416 126 I HA 0.199 4.369 4.170 0.000 0.000 0.288 126 I C 0.655 176.808 176.117 0.060 0.000 1.051 126 I CA -0.145 61.176 61.300 0.036 0.000 1.375 126 I CB 0.063 38.083 38.000 0.033 0.000 1.407 126 I HN 0.118 nan 8.210 nan 0.000 0.516 127 I N 7.284 127.874 120.570 0.034 0.000 2.389 127 I HA 0.341 4.511 4.170 0.000 0.000 0.288 127 I C -0.431 175.713 176.117 0.044 0.000 0.999 127 I CA -0.605 60.722 61.300 0.043 0.000 1.129 127 I CB 1.606 39.603 38.000 -0.005 0.000 1.288 127 I HN 0.316 nan 8.210 nan 0.000 0.444 128 I N 5.692 126.302 120.570 0.068 0.000 2.355 128 I HA 0.281 4.451 4.170 0.000 0.000 0.288 128 I C 0.481 176.645 176.117 0.079 0.000 0.999 128 I CA -0.312 61.019 61.300 0.052 0.000 1.163 128 I CB 1.297 39.318 38.000 0.035 0.000 1.316 128 I HN 0.534 nan 8.210 nan 0.000 0.454 129 T N 2.547 117.139 114.554 0.062 0.000 2.925 129 T HA 0.783 5.133 4.350 0.000 0.000 0.285 129 T C 0.029 174.772 174.700 0.071 0.000 1.021 129 T CA -0.605 61.546 62.100 0.084 0.000 1.042 129 T CB 2.137 71.039 68.868 0.058 0.000 1.037 129 T HN 0.627 nan 8.240 nan 0.000 0.481 130 S N 1.088 116.851 115.700 0.105 0.000 2.667 130 S HA 0.571 5.041 4.470 0.000 0.000 0.292 130 S C -1.126 173.528 174.600 0.091 0.000 1.126 130 S CA -0.990 57.248 58.200 0.065 0.000 0.881 130 S CB 1.338 64.549 63.200 0.018 0.000 1.132 130 S HN 0.712 nan 8.310 nan 0.000 0.492 131 D N 2.302 122.737 120.400 0.059 0.000 2.382 131 D HA 0.346 4.986 4.640 0.000 0.000 0.240 131 D C -2.424 173.939 176.300 0.105 0.000 1.146 131 D CA -0.823 53.224 54.000 0.077 0.000 0.897 131 D CB 0.202 41.034 40.800 0.053 0.000 1.197 131 D HN 0.333 nan 8.370 nan 0.000 0.432 132 P HA 0.132 nan 4.420 nan 0.000 0.266 132 P C 0.798 178.138 177.300 0.065 0.000 1.195 132 P CA 0.459 63.697 63.100 0.230 0.000 0.768 132 P CB 0.614 32.519 31.700 0.342 0.000 0.838 133 G N 0.617 109.347 108.800 -0.116 0.000 2.194 133 G HA2 -0.201 3.759 3.960 0.000 0.000 0.236 133 G HA3 -0.201 3.759 3.960 0.000 0.000 0.236 133 G C 0.390 175.098 174.900 -0.319 0.000 0.987 133 G CA 0.328 45.020 45.100 -0.682 0.000 0.635 133 G HN 0.790 nan 8.290 nan 0.000 0.520 134 S N -0.931 114.690 115.700 -0.133 0.000 2.841 134 S HA 1.000 5.470 4.470 0.000 0.000 0.318 134 S C -0.444 174.078 174.600 -0.129 0.000 1.127 134 S CA 0.733 58.860 58.200 -0.122 0.000 0.883 134 S CB 1.731 64.868 63.200 -0.104 0.000 1.271 134 S HN 2.025 nan 8.310 nan 0.000 0.567 135 A N 1.456 124.137 122.820 -0.231 0.000 2.589 135 A HA 0.768 5.089 4.320 0.000 0.000 0.296 135 A C -3.164 174.228 177.584 -0.320 0.000 1.062 135 A CA -1.209 50.548 52.037 -0.467 0.000 0.686 135 A CB 0.847 19.366 19.000 -0.801 0.000 1.282 135 A HN 0.547 nan 8.150 nan 0.000 0.404 136 P HA 0.372 nan 4.420 nan 0.000 0.276 136 P C -0.636 176.494 177.300 -0.282 0.000 1.261 136 P CA -0.313 62.664 63.100 -0.204 0.000 0.800 136 P CB 0.472 32.100 31.700 -0.120 0.000 1.066 137 E N 0.968 121.028 120.200 -0.234 0.000 2.354 137 E HA 0.200 4.551 4.350 0.000 0.000 0.269 137 E C -2.070 174.304 176.600 -0.377 0.000 1.036 137 E CA -1.742 54.492 56.400 -0.277 0.000 0.876 137 E CB -0.525 29.062 29.700 -0.188 0.000 1.009 137 E HN 0.284 nan 8.360 nan 0.000 0.416 138 P HA -0.106 nan 4.420 nan 0.000 0.263 138 P C -0.463 176.620 177.300 -0.360 0.000 1.175 138 P CA 0.821 63.451 63.100 -0.784 0.000 0.761 138 P CB 0.358 31.448 31.700 -1.018 0.000 0.794 139 Q N 0.087 119.742 119.800 -0.242 0.000 2.738 139 Q HA 0.734 5.074 4.340 0.000 0.000 0.301 139 Q C -1.355 174.634 176.000 -0.019 0.000 0.901 139 Q CA -0.939 54.805 55.803 -0.099 0.000 0.756 139 Q CB 1.466 30.150 28.738 -0.090 0.000 1.463 139 Q HN 0.303 nan 8.270 nan 0.000 0.432 140 T N -0.954 113.601 114.554 0.001 0.000 2.716 140 T HA 0.490 4.840 4.350 0.000 0.000 0.286 140 T C -2.018 172.692 174.700 0.016 0.000 1.052 140 T CA -0.285 61.832 62.100 0.028 0.000 1.024 140 T CB 1.992 70.885 68.868 0.043 0.000 1.349 140 T HN 0.666 nan 8.240 nan 0.000 0.525 141 D N -0.385 120.028 120.400 0.021 0.000 2.736 141 D HA 0.335 4.975 4.640 0.000 0.000 0.223 141 D C -2.023 174.287 176.300 0.016 0.000 1.231 141 D CA -1.532 52.477 54.000 0.015 0.000 0.818 141 D CB 2.435 43.244 40.800 0.015 0.000 1.587 141 D HN 0.210 nan 8.370 nan 0.000 0.463 142 P HA -0.076 nan 4.420 nan 0.000 0.222 142 P C 1.116 178.424 177.300 0.013 0.000 1.147 142 P CA 0.902 64.010 63.100 0.012 0.000 0.790 142 P CB 0.127 31.833 31.700 0.009 0.000 0.780 143 S N -1.725 113.982 115.700 0.012 0.000 2.593 143 S HA 0.139 4.609 4.470 0.000 0.000 0.217 143 S C 0.748 175.356 174.600 0.013 0.000 0.966 143 S CA -0.193 58.014 58.200 0.011 0.000 0.914 143 S CB -1.094 62.111 63.200 0.008 0.000 0.776 143 S HN 0.066 nan 8.310 nan 0.000 0.523 144 V N -0.081 119.842 119.914 0.016 0.000 2.881 144 V HA 0.747 4.867 4.120 0.000 0.000 0.316 144 V C -0.076 176.030 176.094 0.020 0.000 1.070 144 V CA -0.506 61.804 62.300 0.017 0.000 0.976 144 V CB 1.783 33.617 31.823 0.018 0.000 1.038 144 V HN 0.286 nan 8.190 nan 0.000 0.446 145 D N 0.642 121.053 120.400 0.018 0.000 2.469 145 D HA 0.352 4.992 4.640 0.000 0.000 0.213 145 D C -0.085 176.230 176.300 0.024 0.000 1.135 145 D CA -0.020 53.993 54.000 0.021 0.000 0.834 145 D CB 0.936 41.748 40.800 0.019 0.000 1.009 145 D HN 0.450 nan 8.370 nan 0.000 0.507 146 V N 0.973 120.897 119.914 0.016 0.000 2.808 146 V HA 0.420 4.540 4.120 0.000 0.000 0.308 146 V C -0.984 175.107 176.094 -0.005 0.000 1.099 146 V CA -0.803 61.504 62.300 0.012 0.000 0.920 146 V CB 2.324 34.147 31.823 -0.001 0.000 1.014 146 V HN 0.103 nan 8.190 nan 0.000 0.425 147 I N 3.649 124.245 120.570 0.043 0.000 2.436 147 I HA 0.838 5.008 4.170 0.000 0.000 0.289 147 I C 0.012 176.207 176.117 0.129 0.000 1.010 147 I CA -0.561 60.803 61.300 0.107 0.000 1.098 147 I CB 1.972 40.125 38.000 0.255 0.000 1.266 147 I HN 0.692 nan 8.210 nan 0.000 0.434 148 A N 6.428 129.302 122.820 0.090 0.000 2.393 148 A HA 0.894 5.214 4.320 0.000 0.000 0.306 148 A C -1.516 176.331 177.584 0.437 0.000 1.050 148 A CA -0.433 51.676 52.037 0.120 0.000 0.724 148 A CB 1.050 19.965 19.000 -0.142 0.000 1.248 148 A HN 0.877 nan 8.150 nan 0.000 0.424 149 W N 0.329 121.760 121.300 0.218 0.000 2.923 149 W HA 0.744 5.404 4.660 0.000 0.000 0.373 149 W C -0.632 176.054 176.519 0.280 0.000 1.205 149 W CA -0.489 57.028 57.345 0.286 0.000 1.180 149 W CB 0.996 30.639 29.460 0.304 0.000 1.477 149 W HN 1.044 nan 8.180 nan 0.000 0.581 150 A N 0.824 123.976 122.820 0.554 0.000 2.276 150 A HA 0.302 4.622 4.320 0.000 0.000 0.316 150 A C 0.515 178.390 177.584 0.484 0.000 1.229 150 A CA -0.203 52.044 52.037 0.350 0.000 0.851 150 A CB 0.330 19.497 19.000 0.279 0.000 1.165 150 A HN 1.061 nan 8.150 nan 0.000 0.513 151 H N 2.209 121.362 119.070 0.139 0.000 2.352 151 H HA -0.069 4.487 4.556 0.000 0.000 0.299 151 H C 0.509 175.987 175.328 0.250 0.000 1.097 151 H CA 1.588 57.760 56.048 0.206 0.000 1.311 151 H CB 0.198 30.022 29.762 0.103 0.000 1.377 151 H HN 0.687 nan 8.280 nan 0.000 0.504 152 N N 0.427 119.296 118.700 0.281 0.000 2.480 152 N HA -0.018 4.722 4.740 0.000 0.000 0.289 152 N C -1.728 173.925 175.510 0.238 0.000 1.073 152 N CA -0.306 52.872 53.050 0.212 0.000 0.885 152 N CB 1.928 40.466 38.487 0.086 0.000 1.421 152 N HN 0.169 nan 8.380 nan 0.000 0.503 153 E N 2.539 122.925 120.200 0.310 0.000 1.996 153 E HA 0.195 4.545 4.350 0.000 0.000 0.280 153 E C 0.452 177.214 176.600 0.270 0.000 1.092 153 E CA -0.067 56.502 56.400 0.281 0.000 0.862 153 E CB 0.459 30.329 29.700 0.283 0.000 1.066 153 E HN 0.507 nan 8.360 nan 0.000 0.396 154 T N 1.570 116.285 114.554 0.267 0.000 2.881 154 T HA -0.181 4.169 4.350 0.000 0.000 0.270 154 T C 1.622 176.479 174.700 0.262 0.000 1.068 154 T CA 1.450 63.687 62.100 0.230 0.000 1.131 154 T CB -0.156 68.759 68.868 0.079 0.000 0.871 154 T HN 0.520 nan 8.240 nan 0.000 0.479 155 S N 1.580 117.422 115.700 0.236 0.000 2.453 155 S HA -0.067 4.403 4.470 0.000 0.000 0.231 155 S C 2.004 176.736 174.600 0.219 0.000 1.005 155 S CA 1.157 59.401 58.200 0.073 0.000 0.949 155 S CB -0.591 62.427 63.200 -0.303 0.000 0.774 155 S HN 0.684 nan 8.310 nan 0.000 0.510 156 T N -4.090 110.631 114.554 0.279 0.000 2.975 156 T HA 0.520 4.871 4.350 0.000 0.000 0.261 156 T C 1.414 176.352 174.700 0.397 0.000 0.984 156 T CA 0.526 62.871 62.100 0.409 0.000 0.911 156 T CB 0.017 69.134 68.868 0.416 0.000 1.127 156 T HN 1.181 nan 8.240 nan 0.000 0.514 157 G N 1.218 110.201 108.800 0.304 0.000 2.176 157 G HA2 -0.183 3.777 3.960 0.000 0.000 0.252 157 G HA3 -0.183 3.777 3.960 0.000 0.000 0.252 157 G C -0.082 174.954 174.900 0.227 0.000 1.024 157 G CA 0.078 45.340 45.100 0.270 0.000 0.755 157 G HN 0.748 nan 8.290 nan 0.000 0.507 158 V N 0.373 120.426 119.914 0.232 0.000 2.394 158 V HA 0.785 4.905 4.120 0.000 0.000 0.282 158 V C 0.619 176.850 176.094 0.227 0.000 1.031 158 V CA -0.089 62.325 62.300 0.191 0.000 0.881 158 V CB 1.595 33.539 31.823 0.202 0.000 0.982 158 V HN 1.131 nan 8.190 nan 0.000 0.451 159 A N 5.143 128.064 122.820 0.168 0.000 2.330 159 A HA 0.861 5.181 4.320 0.000 0.000 0.327 159 A C -0.806 176.897 177.584 0.198 0.000 1.155 159 A CA -0.510 51.651 52.037 0.207 0.000 0.803 159 A CB 1.486 20.577 19.000 0.152 0.000 1.208 159 A HN 0.628 nan 8.150 nan 0.000 0.477 160 V N 1.817 121.918 119.914 0.312 0.000 2.555 160 V HA 0.634 4.754 4.120 0.000 0.000 0.302 160 V C 0.860 177.158 176.094 0.339 0.000 1.038 160 V CA -0.504 61.933 62.300 0.228 0.000 0.887 160 V CB 1.471 33.419 31.823 0.209 0.000 0.991 160 V HN 1.264 nan 8.190 nan 0.000 0.434 161 A N 3.774 126.711 122.820 0.195 0.000 2.520 161 A HA 0.395 4.715 4.320 0.000 0.000 0.235 161 A C -0.051 177.728 177.584 0.325 0.000 1.065 161 A CA 0.095 52.248 52.037 0.194 0.000 0.764 161 A CB 0.156 19.212 19.000 0.093 0.000 1.002 161 A HN 0.820 nan 8.150 nan 0.000 0.502 162 V N 4.305 124.335 119.914 0.193 0.000 2.259 162 V HA 0.425 4.545 4.120 0.000 0.000 0.267 162 V C 0.240 176.443 176.094 0.182 0.000 1.051 162 V CA -0.014 62.402 62.300 0.194 0.000 0.830 162 V CB -0.292 31.437 31.823 -0.157 0.000 1.080 162 V HN 0.908 nan 8.190 nan 0.000 0.467 163 R N 2.451 123.145 120.500 0.324 0.000 2.725 163 R HA 0.537 4.878 4.340 0.000 0.000 0.277 163 R C -0.356 176.109 176.300 0.274 0.000 0.987 163 R CA -0.872 55.350 56.100 0.203 0.000 0.901 163 R CB 2.446 32.820 30.300 0.123 0.000 1.207 163 R HN 0.516 nan 8.270 nan 0.000 0.463 164 R N 2.914 123.522 120.500 0.180 0.000 2.296 164 R HA 0.208 4.548 4.340 0.000 0.000 0.323 164 R C -2.125 174.259 176.300 0.140 0.000 1.067 164 R CA -1.410 54.800 56.100 0.183 0.000 0.946 164 R CB 0.458 30.829 30.300 0.119 0.000 0.991 164 R HN 0.312 nan 8.270 nan 0.000 0.448 165 P HA -0.075 nan 4.420 nan 0.000 0.269 165 P C -0.885 176.445 177.300 0.051 0.000 1.209 165 P CA -0.097 63.041 63.100 0.065 0.000 0.776 165 P CB 0.536 32.263 31.700 0.045 0.000 0.876 166 E N 1.453 121.669 120.200 0.026 0.000 2.452 166 E HA 0.173 4.523 4.350 0.000 0.000 0.261 166 E C 0.943 177.556 176.600 0.023 0.000 0.987 166 E CA 0.717 57.130 56.400 0.022 0.000 0.926 166 E CB -0.462 29.244 29.700 0.010 0.000 0.934 166 E HN 0.759 nan 8.360 nan 0.000 0.452 167 G N 3.075 111.891 108.800 0.025 0.000 2.143 167 G HA2 -0.321 3.639 3.960 0.000 0.000 0.248 167 G HA3 -0.321 3.639 3.960 0.000 0.000 0.248 167 G C 0.488 175.406 174.900 0.031 0.000 0.991 167 G CA 0.659 45.773 45.100 0.024 0.000 0.689 167 G HN 0.755 nan 8.290 nan 0.000 0.522 168 S N -0.046 115.680 115.700 0.043 0.000 2.618 168 S HA 0.401 4.871 4.470 0.000 0.000 0.242 168 S C 0.545 175.176 174.600 0.051 0.000 0.972 168 S CA 0.307 58.540 58.200 0.054 0.000 1.004 168 S CB 0.459 63.708 63.200 0.082 0.000 0.778 168 S HN 0.342 nan 8.310 nan 0.000 0.459 172 L N 1.725 122.978 121.223 0.049 0.000 2.349 172 L HA 0.458 4.798 4.340 0.000 0.000 0.275 172 L C -0.128 176.780 176.870 0.063 0.000 1.115 172 L CA -0.858 54.014 54.840 0.053 0.000 0.820 172 L CB 1.417 43.505 42.059 0.048 0.000 1.135 172 L HN 0.473 nan 8.230 nan 0.000 0.445 173 V N 4.623 124.571 119.914 0.057 0.000 2.368 173 V HA 0.189 4.310 4.120 0.000 0.000 0.266 173 V C 0.104 176.186 176.094 -0.020 0.000 1.045 173 V CA -0.361 61.943 62.300 0.008 0.000 0.899 173 V CB 1.466 33.291 31.823 0.003 0.000 1.006 173 V HN 0.417 nan 8.190 nan 0.000 0.470 174 V N 7.015 126.915 119.914 -0.024 0.000 2.326 174 V HA 0.468 4.588 4.120 0.000 0.000 0.281 174 V C -0.295 175.830 176.094 0.052 0.000 1.015 174 V CA -0.421 61.956 62.300 0.128 0.000 0.823 174 V CB 1.517 33.502 31.823 0.270 0.000 1.009 174 V HN 0.577 nan 8.190 nan 0.000 0.436 175 I N 3.535 124.076 120.570 -0.048 0.000 2.382 175 I HA 0.348 4.518 4.170 0.000 0.000 0.286 175 I C -0.024 175.694 176.117 -0.664 0.000 1.002 175 I CA -0.517 60.580 61.300 -0.339 0.000 1.135 175 I CB 1.734 39.532 38.000 -0.335 0.000 1.288 175 I HN 0.531 nan 8.210 nan 0.000 0.448 176 D N 6.255 126.280 120.400 -0.625 0.000 2.359 176 D HA 0.290 4.930 4.640 0.000 0.000 0.250 176 D C 0.507 176.483 176.300 -0.540 0.000 1.264 176 D CA 0.027 53.465 54.000 -0.935 0.000 0.911 176 D CB 1.006 41.727 40.800 -0.132 0.000 1.056 176 D HN 0.631 nan 8.370 nan 0.000 0.499 177 A N 3.248 125.627 122.820 -0.734 0.000 2.610 177 A HA 0.136 4.456 4.320 0.000 0.000 0.286 177 A C 1.810 179.230 177.584 -0.273 0.000 1.306 177 A CA -0.309 51.428 52.037 -0.499 0.000 0.942 177 A CB -0.016 18.287 19.000 -1.161 0.000 1.112 177 A HN 0.513 nan 8.150 nan 0.000 0.527 178 T N 0.866 115.289 114.554 -0.218 0.000 2.653 178 T HA -0.188 4.162 4.350 0.000 0.000 0.268 178 T C 2.070 176.710 174.700 -0.100 0.000 1.035 178 T CA 2.395 64.435 62.100 -0.100 0.000 1.154 178 T CB -0.158 68.617 68.868 -0.154 0.000 0.862 178 T HN 0.794 nan 8.240 nan 0.000 0.441 179 S N -0.118 115.520 115.700 -0.103 0.000 2.540 179 S HA 0.349 4.819 4.470 0.000 0.000 0.218 179 S C 1.927 176.518 174.600 -0.015 0.000 0.977 179 S CA 0.264 58.432 58.200 -0.053 0.000 0.918 179 S CB 0.387 63.631 63.200 0.073 0.000 0.806 179 S HN 0.479 nan 8.310 nan 0.000 0.496 180 G N 1.282 110.029 108.800 -0.088 0.000 2.651 180 G HA2 0.475 4.435 3.960 0.000 0.000 0.207 180 G HA3 0.475 4.435 3.960 0.000 0.000 0.207 180 G C 0.596 175.440 174.900 -0.094 0.000 1.131 180 G CA 0.115 45.117 45.100 -0.164 0.000 0.816 180 G HN 0.725 nan 8.290 nan 0.000 0.534 181 A N 0.333 123.098 122.820 -0.091 0.000 2.537 181 A HA 0.471 4.791 4.320 0.000 0.000 0.260 181 A C 1.628 179.179 177.584 -0.055 0.000 1.082 181 A CA 1.155 53.188 52.037 -0.008 0.000 0.765 181 A CB -0.663 17.994 19.000 -0.572 0.000 1.019 181 A HN 1.750 nan 8.150 nan 0.000 0.507 182 G N 1.491 110.368 108.800 0.129 0.000 2.213 182 G HA2 -0.077 3.883 3.960 0.000 0.000 0.226 182 G HA3 -0.077 3.883 3.960 0.000 0.000 0.226 182 G C 1.008 175.790 174.900 -0.196 0.000 0.992 182 G CA 0.624 45.572 45.100 -0.253 0.000 0.632 182 G HN 1.902 nan 8.290 nan 0.000 0.511 183 G N -0.507 108.241 108.800 -0.085 0.000 2.945 183 G HA2 0.583 4.543 3.960 0.000 0.000 0.225 183 G HA3 0.583 4.543 3.960 0.000 0.000 0.225 183 G C 0.341 175.236 174.900 -0.007 0.000 1.046 183 G CA 0.247 45.330 45.100 -0.029 0.000 0.842 183 G HN 0.534 nan 8.290 nan 0.000 0.543 184 L N 1.279 122.510 121.223 0.013 0.000 2.354 184 L HA 0.478 4.819 4.340 0.000 0.000 0.264 184 L C -2.308 174.657 176.870 0.158 0.000 1.008 184 L CA -2.348 52.512 54.840 0.035 0.000 0.819 184 L CB 2.770 44.733 42.059 -0.159 0.000 1.339 184 L HN -0.152 nan 8.230 nan 0.000 0.420 185 P HA 0.182 nan 4.420 nan 0.000 0.275 185 P C -1.113 176.319 177.300 0.220 0.000 1.228 185 P CA -0.153 63.039 63.100 0.153 0.000 0.786 185 P CB 2.089 33.850 31.700 0.102 0.000 0.927 186 V N 1.616 121.604 119.914 0.122 0.000 2.924 186 V HA 0.268 4.388 4.120 0.000 0.000 0.300 186 V C -1.644 174.416 176.094 -0.058 0.000 1.227 186 V CA -0.698 61.599 62.300 -0.005 0.000 0.954 186 V CB 2.249 33.971 31.823 -0.168 0.000 1.055 186 V HN 0.505 nan 8.190 nan 0.000 0.429 187 D N 5.983 126.330 120.400 -0.088 0.000 2.428 187 D HA 0.289 4.929 4.640 0.000 0.000 0.221 187 D C 1.207 177.405 176.300 -0.170 0.000 1.123 187 D CA -0.388 53.554 54.000 -0.095 0.000 0.869 187 D CB 1.098 41.867 40.800 -0.052 0.000 1.032 187 D HN 0.430 nan 8.370 nan 0.000 0.506 188 I N 2.945 123.376 120.570 -0.232 0.000 2.423 188 I HA -0.220 3.950 4.170 0.000 0.000 0.254 188 I C 2.121 178.067 176.117 -0.285 0.000 1.151 188 I CA 0.691 61.794 61.300 -0.330 0.000 1.421 188 I CB -1.057 36.711 38.000 -0.387 0.000 1.079 188 I HN 0.434 nan 8.210 nan 0.000 0.431 189 A N 0.365 123.041 122.820 -0.241 0.000 2.125 189 A HA -0.154 4.166 4.320 0.000 0.000 0.219 189 A C 1.957 179.565 177.584 0.040 0.000 1.156 189 A CA 1.077 53.058 52.037 -0.094 0.000 0.671 189 A CB -0.373 18.589 19.000 -0.063 0.000 0.794 189 A HN 0.377 nan 8.150 nan 0.000 0.459 190 E N 0.268 120.467 120.200 -0.001 0.000 2.482 190 E HA -0.025 4.325 4.350 0.000 0.000 0.196 190 E C 0.718 177.350 176.600 0.053 0.000 1.047 190 E CA 0.982 57.404 56.400 0.036 0.000 0.869 190 E CB -0.270 29.443 29.700 0.021 0.000 0.836 190 E HN 0.757 nan 8.360 nan 0.000 0.520 191 T N -2.512 112.082 114.554 0.066 0.000 2.930 191 T HA 0.387 4.737 4.350 0.000 0.000 0.290 191 T C 0.272 175.085 174.700 0.188 0.000 1.052 191 T CA -0.852 61.300 62.100 0.086 0.000 1.017 191 T CB 2.320 71.222 68.868 0.057 0.000 1.137 191 T HN -0.303 nan 8.240 nan 0.000 0.511 192 D N 0.279 120.757 120.400 0.129 0.000 2.482 192 D HA 0.310 4.950 4.640 0.000 0.000 0.251 192 D C 0.394 176.760 176.300 0.110 0.000 1.073 192 D CA 0.137 54.193 54.000 0.092 0.000 0.892 192 D CB 0.950 41.780 40.800 0.049 0.000 1.202 192 D HN 0.793 nan 8.370 nan 0.000 0.496 193 A N 0.889 123.803 122.820 0.156 0.000 2.446 193 A HA 0.426 4.746 4.320 0.000 0.000 0.282 193 A C -1.933 175.795 177.584 0.239 0.000 1.102 193 A CA -0.494 51.663 52.037 0.201 0.000 0.737 193 A CB 0.853 20.005 19.000 0.254 0.000 1.212 193 A HN 0.108 nan 8.150 nan 0.000 0.434 194 Y N 4.324 124.655 120.300 0.051 0.000 2.464 194 Y HA 0.579 5.129 4.550 0.000 0.000 0.326 194 Y C -0.930 174.983 175.900 0.023 0.000 0.969 194 Y CA -1.030 57.053 58.100 -0.027 0.000 1.270 194 Y CB 0.605 39.019 38.460 -0.075 0.000 1.103 194 Y HN 0.703 nan 8.280 nan 0.000 0.491 195 Y N 5.271 125.362 120.300 -0.348 0.000 2.549 195 Y HA 0.886 5.436 4.550 0.000 0.000 0.339 195 Y C -1.436 174.320 175.900 -0.241 0.000 1.053 195 Y CA -1.969 55.835 58.100 -0.493 0.000 1.105 195 Y CB 1.224 39.041 38.460 -1.071 0.000 1.258 195 Y HN 0.383 nan 8.280 nan 0.000 0.478 196 F N -0.992 118.841 119.950 -0.196 0.000 2.926 196 F HA 0.948 5.475 4.527 0.000 0.000 0.321 196 F C -1.539 174.234 175.800 -0.046 0.000 1.168 196 F CA -1.551 56.350 58.000 -0.165 0.000 0.890 196 F CB 0.779 39.690 39.000 -0.150 0.000 1.357 196 F HN 0.818 nan 8.300 nan 0.000 0.468 197 A N -0.212 122.698 122.820 0.150 0.000 2.532 197 A HA 0.879 5.199 4.320 0.000 0.000 0.290 197 A C -2.739 174.960 177.584 0.192 0.000 1.143 197 A CA -1.837 50.241 52.037 0.069 0.000 0.728 197 A CB 1.465 20.471 19.000 0.010 0.000 1.317 197 A HN 0.537 nan 8.150 nan 0.000 0.414 198 P HA 0.002 nan 4.420 nan 0.000 0.245 198 P C 0.702 178.080 177.300 0.130 0.000 1.206 198 P CA 0.555 63.759 63.100 0.173 0.000 0.781 198 P CB 0.390 32.134 31.700 0.074 0.000 0.994 199 Q N -0.948 118.879 119.800 0.045 0.000 2.320 199 Q HA 0.148 4.488 4.340 0.000 0.000 0.201 199 Q C 0.407 176.343 176.000 -0.107 0.000 0.910 199 Q CA 0.556 56.357 55.803 -0.004 0.000 0.946 199 Q CB 0.121 28.864 28.738 0.008 0.000 1.062 199 Q HN 0.106 nan 8.270 nan 0.000 0.503 200 K N 0.740 120.988 120.400 -0.253 0.000 4.447 200 K HA 0.262 4.582 4.320 0.000 0.000 0.186 200 K C 1.580 177.594 176.600 -0.977 0.000 1.136 200 K CA 0.085 55.871 56.287 -0.836 0.000 1.893 200 K CB -0.086 31.908 32.500 -0.843 0.000 2.651 200 K HN -0.064 nan 8.250 nan 0.000 0.552 201 N N 0.394 118.516 118.700 -0.962 0.000 2.272 201 N HA -0.117 4.623 4.740 0.000 0.000 0.185 201 N C 1.314 176.528 175.510 -0.493 0.000 1.014 201 N CA 1.232 53.905 53.050 -0.629 0.000 0.870 201 N CB -0.070 38.080 38.487 -0.563 0.000 0.975 201 N HN 0.103 nan 8.380 nan 0.000 0.433 202 F N 0.619 120.509 119.950 -0.101 0.000 2.811 202 F HA 0.272 4.799 4.527 0.000 0.000 0.301 202 F C 1.425 177.223 175.800 -0.003 0.000 1.151 202 F CA -0.064 57.940 58.000 0.007 0.000 1.412 202 F CB -0.375 38.665 39.000 0.067 0.000 1.113 202 F HN -0.085 nan 8.300 nan 0.000 0.579 203 A N 0.113 122.961 122.820 0.048 0.000 2.783 203 A HA -0.200 4.120 4.320 0.000 0.000 0.292 203 A C 0.975 178.583 177.584 0.041 0.000 1.495 203 A CA 0.929 52.979 52.037 0.022 0.000 0.787 203 A CB -1.927 17.069 19.000 -0.005 0.000 1.017 203 A HN 0.367 nan 8.150 nan 0.000 0.516 204 S N -1.309 114.428 115.700 0.063 0.000 2.998 204 S HA 0.683 5.153 4.470 0.000 0.000 0.307 204 S C -0.615 174.006 174.600 0.036 0.000 1.063 204 S CA -0.087 58.143 58.200 0.051 0.000 0.895 204 S CB 1.044 64.284 63.200 0.066 0.000 1.362 204 S HN 0.436 nan 8.310 nan 0.000 0.657 205 D N 0.366 120.783 120.400 0.029 0.000 2.268 205 D HA 0.563 5.203 4.640 0.000 0.000 0.249 205 D C 0.348 176.660 176.300 0.019 0.000 1.008 205 D CA -0.042 53.972 54.000 0.024 0.000 0.939 205 D CB 1.411 42.224 40.800 0.022 0.000 1.170 205 D HN 0.656 nan 8.370 nan 0.000 0.468 206 G N -1.151 107.661 108.800 0.019 0.000 2.684 206 G HA2 0.399 4.360 3.960 0.000 0.000 0.255 206 G HA3 0.399 4.360 3.960 0.000 0.000 0.255 206 G C 0.788 175.694 174.900 0.011 0.000 1.219 206 G CA 0.255 45.364 45.100 0.016 0.000 0.901 206 G HN 0.763 nan 8.290 nan 0.000 0.548 207 G N -2.209 106.601 108.800 0.017 0.000 2.163 207 G HA2 0.014 3.975 3.960 0.000 0.000 0.213 207 G HA3 0.014 3.975 3.960 0.000 0.000 0.213 207 G C -0.153 174.746 174.900 -0.002 0.000 0.991 207 G CA 0.494 45.607 45.100 0.022 0.000 0.653 207 G HN 1.372 nan 8.290 nan 0.000 0.518 208 L N 1.512 122.715 121.223 -0.033 0.000 2.431 208 L HA 0.836 5.176 4.340 0.000 0.000 0.266 208 L C -0.255 176.565 176.870 -0.083 0.000 0.978 208 L CA -1.399 53.362 54.840 -0.132 0.000 0.822 208 L CB 1.035 42.992 42.059 -0.169 0.000 1.310 208 L HN 0.325 nan 8.230 nan 0.000 0.409 209 W N 4.737 125.943 121.300 -0.157 0.000 2.578 209 W HA 0.755 5.415 4.660 0.000 0.000 0.346 209 W C -2.075 174.227 176.519 -0.361 0.000 1.075 209 W CA -1.148 56.044 57.345 -0.254 0.000 1.233 209 W CB 0.965 30.307 29.460 -0.196 0.000 1.358 209 W HN 0.367 nan 8.180 nan 0.000 0.574 210 L N 2.514 123.584 121.223 -0.255 0.000 2.408 210 L HA 0.755 5.095 4.340 0.000 0.000 0.268 210 L C -0.327 176.229 176.870 -0.524 0.000 0.986 210 L CA -0.786 53.752 54.840 -0.503 0.000 0.820 210 L CB 1.960 43.446 42.059 -0.955 0.000 1.303 210 L HN 0.627 nan 8.230 nan 0.000 0.411 211 A N 3.553 126.250 122.820 -0.205 0.000 2.385 211 A HA 0.741 5.062 4.320 0.000 0.000 0.290 211 A C -0.827 176.761 177.584 0.006 0.000 1.094 211 A CA -0.322 51.608 52.037 -0.180 0.000 0.729 211 A CB 0.653 19.480 19.000 -0.289 0.000 1.194 211 A HN 0.635 nan 8.150 nan 0.000 0.442 212 I N 3.864 124.493 120.570 0.097 0.000 2.379 212 I HA 0.198 4.368 4.170 0.000 0.000 0.290 212 I C -0.199 176.041 176.117 0.205 0.000 1.063 212 I CA 0.302 61.712 61.300 0.183 0.000 1.351 212 I CB 0.696 38.820 38.000 0.207 0.000 1.410 212 I HN 0.507 nan 8.210 nan 0.000 0.505 213 M N 5.529 125.226 119.600 0.162 0.000 2.311 213 M HA 0.313 4.794 4.480 0.000 0.000 0.325 213 M C 0.128 176.309 176.300 -0.198 0.000 1.061 213 M CA -0.576 54.754 55.300 0.050 0.000 0.957 213 M CB 1.860 34.482 32.600 0.036 0.000 1.646 213 M HN 0.578 nan 8.290 nan 0.000 0.434 214 S N 2.764 118.181 115.700 -0.473 0.000 2.614 214 S HA 0.391 4.861 4.470 0.000 0.000 0.265 214 S C -2.047 172.251 174.600 -0.504 0.000 1.303 214 S CA -0.878 56.666 58.200 -1.093 0.000 1.000 214 S CB 0.500 63.258 63.200 -0.737 0.000 0.935 214 S HN 0.442 nan 8.310 nan 0.000 0.551 215 P HA -0.062 nan 4.420 nan 0.000 0.216 215 P C 1.596 178.819 177.300 -0.128 0.000 1.150 215 P CA 1.953 64.938 63.100 -0.192 0.000 0.837 215 P CB -0.290 31.335 31.700 -0.126 0.000 0.786 216 A N 0.008 122.752 122.820 -0.125 0.000 1.908 216 A HA -0.156 4.164 4.320 0.000 0.000 0.218 216 A C 2.331 179.883 177.584 -0.054 0.000 1.181 216 A CA 2.248 54.246 52.037 -0.066 0.000 0.627 216 A CB -1.613 17.362 19.000 -0.042 0.000 0.818 216 A HN 0.205 nan 8.150 nan 0.000 0.445 217 A N -0.303 122.475 122.820 -0.071 0.000 1.902 217 A HA -0.025 4.295 4.320 0.000 0.000 0.217 217 A C 2.173 179.738 177.584 -0.031 0.000 1.181 217 A CA 1.493 53.510 52.037 -0.034 0.000 0.623 217 A CB -0.624 18.366 19.000 -0.017 0.000 0.818 217 A HN 0.472 nan 8.150 nan 0.000 0.443 218 L N -0.692 120.500 121.223 -0.052 0.000 2.046 218 L HA -0.160 4.180 4.340 0.000 0.000 0.208 218 L C 2.895 179.747 176.870 -0.029 0.000 1.077 218 L CA 1.576 56.395 54.840 -0.035 0.000 0.747 218 L CB -0.432 41.601 42.059 -0.044 0.000 0.896 218 L HN 0.486 nan 8.230 nan 0.000 0.432 219 S N -0.303 115.377 115.700 -0.033 0.000 2.402 219 S HA -0.195 4.275 4.470 0.000 0.000 0.229 219 S C 2.138 176.727 174.600 -0.017 0.000 1.021 219 S CA 1.148 59.334 58.200 -0.023 0.000 0.974 219 S CB -0.083 63.105 63.200 -0.022 0.000 0.800 219 S HN 0.286 nan 8.310 nan 0.000 0.484 220 R N 1.221 121.711 120.500 -0.016 0.000 2.075 220 R HA 0.127 4.467 4.340 0.000 0.000 0.232 220 R C 2.046 178.339 176.300 -0.013 0.000 1.126 220 R CA 1.793 57.887 56.100 -0.009 0.000 0.963 220 R CB -0.914 29.383 30.300 -0.004 0.000 0.858 220 R HN 0.533 nan 8.270 nan 0.000 0.435 221 I N 0.608 121.166 120.570 -0.019 0.000 2.151 221 I HA -0.293 3.877 4.170 0.000 0.000 0.243 221 I C 2.490 178.588 176.117 -0.031 0.000 1.080 221 I CA 1.987 63.270 61.300 -0.030 0.000 1.339 221 I CB -0.406 37.576 38.000 -0.031 0.000 1.039 221 I HN 0.439 nan 8.210 nan 0.000 0.409 222 E N 1.001 121.186 120.200 -0.025 0.000 2.077 222 E HA -0.239 4.111 4.350 0.000 0.000 0.193 222 E C 2.256 178.846 176.600 -0.016 0.000 0.989 222 E CA 1.273 57.659 56.400 -0.023 0.000 0.800 222 E CB -0.023 29.666 29.700 -0.020 0.000 0.746 222 E HN 0.496 nan 8.360 nan 0.000 0.452 223 A N 0.975 123.789 122.820 -0.010 0.000 1.898 223 A HA -0.138 4.182 4.320 0.000 0.000 0.216 223 A C 2.150 179.735 177.584 0.003 0.000 1.181 223 A CA 1.175 53.210 52.037 -0.002 0.000 0.620 223 A CB -0.553 18.448 19.000 0.001 0.000 0.819 223 A HN 0.321 nan 8.150 nan 0.000 0.442 224 I N -0.239 120.331 120.570 0.000 0.000 2.226 224 I HA -0.271 3.900 4.170 0.000 0.000 0.245 224 I C 2.956 179.076 176.117 0.005 0.000 1.100 224 I CA 0.966 62.272 61.300 0.009 0.000 1.374 224 I CB -0.309 37.694 38.000 0.005 0.000 1.057 224 I HN 0.362 nan 8.210 nan 0.000 0.413 225 A N 0.756 123.567 122.820 -0.016 0.000 1.940 225 A HA -0.177 4.144 4.320 0.000 0.000 0.219 225 A C 2.458 180.039 177.584 -0.005 0.000 1.176 225 A CA 1.866 53.887 52.037 -0.026 0.000 0.631 225 A CB -0.757 18.215 19.000 -0.047 0.000 0.814 225 A HN 0.441 nan 8.150 nan 0.000 0.446 226 A N -0.344 122.476 122.820 -0.000 0.000 2.168 226 A HA 0.032 4.352 4.320 0.000 0.000 0.215 226 A C 2.184 179.780 177.584 0.020 0.000 1.152 226 A CA 1.920 53.962 52.037 0.007 0.000 0.716 226 A CB -1.160 17.842 19.000 0.004 0.000 0.794 226 A HN 0.775 nan 8.150 nan 0.000 0.465 227 T N -4.201 110.369 114.554 0.028 0.000 3.072 227 T HA 0.295 4.646 4.350 0.000 0.000 0.266 227 T C 1.548 176.282 174.700 0.058 0.000 1.127 227 T CA 1.262 63.388 62.100 0.043 0.000 1.107 227 T CB -0.268 68.632 68.868 0.053 0.000 0.910 227 T HN 1.614 nan 8.240 nan 0.000 0.513 228 G N 1.537 110.371 108.800 0.057 0.000 2.176 228 G HA2 -0.298 3.662 3.960 0.000 0.000 0.253 228 G HA3 -0.298 3.662 3.960 0.000 0.000 0.253 228 G C 0.186 175.158 174.900 0.119 0.000 0.979 228 G CA 0.055 45.200 45.100 0.076 0.000 0.641 228 G HN 0.856 nan 8.290 nan 0.000 0.530 229 R N -0.225 120.350 120.500 0.125 0.000 2.537 229 R HA 0.169 4.509 4.340 0.000 0.000 0.281 229 R C 0.557 176.953 176.300 0.161 0.000 0.988 229 R CA -0.214 56.002 56.100 0.195 0.000 1.077 229 R CB 0.038 30.444 30.300 0.177 0.000 0.932 229 R HN 0.377 nan 8.270 nan 0.000 0.409 230 W N 5.661 126.989 121.300 0.046 0.000 2.190 230 W HA 0.323 4.984 4.660 0.000 0.000 0.330 230 W C -1.071 175.270 176.519 -0.298 0.000 1.299 230 W CA -0.124 57.170 57.345 -0.084 0.000 1.215 230 W CB 0.683 30.141 29.460 -0.004 0.000 1.147 230 W HN 0.282 nan 8.180 nan 0.000 0.563 231 V N 8.862 127.964 119.914 -1.354 0.000 2.808 231 V HA 0.490 4.610 4.120 0.000 0.000 0.308 231 V C -2.153 172.771 176.094 -1.950 0.000 1.099 231 V CA -2.589 58.570 62.300 -1.902 0.000 0.920 231 V CB 2.163 33.315 31.823 -1.119 0.000 1.014 231 V HN 0.511 nan 8.190 nan 0.000 0.425 232 P HA 0.203 nan 4.420 nan 0.000 0.265 232 P C -0.148 176.837 177.300 -0.525 0.000 1.193 232 P CA 0.207 62.793 63.100 -0.857 0.000 0.765 232 P CB 0.687 32.084 31.700 -0.505 0.000 0.823 233 D N 1.265 121.516 120.400 -0.249 0.000 2.218 233 D HA -0.147 4.493 4.640 0.000 0.000 0.204 233 D C 1.359 177.559 176.300 -0.168 0.000 0.976 233 D CA 1.025 54.875 54.000 -0.250 0.000 0.853 233 D CB -0.604 40.127 40.800 -0.114 0.000 0.939 233 D HN 0.380 nan 8.370 nan 0.000 0.481 234 F N 0.661 120.592 119.950 -0.033 0.000 2.269 234 F HA -0.044 4.483 4.527 0.000 0.000 0.301 234 F C 1.585 177.378 175.800 -0.011 0.000 1.082 234 F CA 1.021 59.070 58.000 0.081 0.000 1.360 234 F CB 0.079 39.129 39.000 0.084 0.000 1.041 234 F HN -0.089 nan 8.300 nan 0.000 0.512 235 L N -0.568 120.525 121.223 -0.216 0.000 2.700 235 L HA 0.170 4.510 4.340 0.000 0.000 0.234 235 L C 0.864 177.508 176.870 -0.377 0.000 1.156 235 L CA -0.132 54.532 54.840 -0.293 0.000 0.946 235 L CB -0.341 41.562 42.059 -0.259 0.000 1.216 235 L HN -0.056 nan 8.230 nan 0.000 0.493 236 S N 0.499 115.964 115.700 -0.392 0.000 2.430 236 S HA 0.219 4.689 4.470 0.000 0.000 0.282 236 S C 1.302 175.754 174.600 -0.247 0.000 1.186 236 S CA -0.477 57.501 58.200 -0.371 0.000 1.060 236 S CB 0.461 63.413 63.200 -0.414 0.000 0.966 236 S HN 0.290 nan 8.310 nan 0.000 0.501 237 L N 6.214 127.312 121.223 -0.209 0.000 2.056 237 L HA 0.004 4.344 4.340 0.000 0.000 0.207 237 L C -0.733 176.089 176.870 -0.081 0.000 1.078 237 L CA 0.937 55.713 54.840 -0.106 0.000 0.749 237 L CB -1.557 40.419 42.059 -0.138 0.000 0.901 237 L HN 0.471 nan 8.230 nan 0.000 0.433 238 P HA -0.208 nan 4.420 nan 0.000 0.215 238 P C 1.816 179.046 177.300 -0.117 0.000 1.157 238 P CA 1.650 64.687 63.100 -0.105 0.000 0.874 238 P CB 0.051 31.679 31.700 -0.119 0.000 0.790 239 I N -1.057 119.399 120.570 -0.190 0.000 2.252 239 I HA -0.213 3.958 4.170 0.000 0.000 0.245 239 I C 2.326 178.355 176.117 -0.147 0.000 1.102 239 I CA 1.296 62.455 61.300 -0.235 0.000 1.385 239 I CB -0.778 36.924 38.000 -0.497 0.000 1.064 239 I HN -0.093 nan 8.210 nan 0.000 0.414 240 A N 0.522 123.281 122.820 -0.101 0.000 1.902 240 A HA -0.151 4.169 4.320 0.000 0.000 0.217 240 A C 2.443 180.024 177.584 -0.006 0.000 1.181 240 A CA 1.712 53.738 52.037 -0.019 0.000 0.623 240 A CB -0.918 18.175 19.000 0.155 0.000 0.818 240 A HN 0.235 nan 8.150 nan 0.000 0.443 241 V N 0.045 119.965 119.914 0.010 0.000 2.295 241 V HA -0.288 3.832 4.120 0.000 0.000 0.246 241 V C 2.554 178.640 176.094 -0.015 0.000 1.049 241 V CA 2.370 64.675 62.300 0.009 0.000 1.024 241 V CB -0.763 31.065 31.823 0.008 0.000 0.648 241 V HN 0.828 nan 8.190 nan 0.000 0.447 242 E N 0.320 120.503 120.200 -0.029 0.000 2.097 242 E HA -0.283 4.067 4.350 0.000 0.000 0.196 242 E C 2.065 178.653 176.600 -0.019 0.000 1.000 242 E CA 1.918 58.302 56.400 -0.026 0.000 0.804 242 E CB -0.169 29.509 29.700 -0.037 0.000 0.740 242 E HN 0.624 nan 8.360 nan 0.000 0.454 243 N N -0.205 118.483 118.700 -0.019 0.000 2.171 243 N HA -0.062 4.678 4.740 0.000 0.000 0.184 243 N C 1.980 177.472 175.510 -0.030 0.000 1.021 243 N CA 1.216 54.259 53.050 -0.012 0.000 0.854 243 N CB -0.084 38.410 38.487 0.011 0.000 0.994 243 N HN 0.088 nan 8.380 nan 0.000 0.426 244 S N 1.524 117.198 115.700 -0.043 0.000 2.382 244 S HA 0.023 4.493 4.470 0.000 0.000 0.228 244 S C 2.072 176.653 174.600 -0.032 0.000 1.027 244 S CA 0.584 58.752 58.200 -0.054 0.000 0.991 244 S CB -0.177 62.988 63.200 -0.059 0.000 0.823 244 S HN 0.269 nan 8.310 nan 0.000 0.469 245 L N 0.610 121.821 121.223 -0.019 0.000 2.362 245 L HA -0.002 4.338 4.340 0.000 0.000 0.219 245 L C 1.456 178.317 176.870 -0.014 0.000 1.134 245 L CA 1.011 55.844 54.840 -0.011 0.000 0.807 245 L CB -0.284 41.771 42.059 -0.007 0.000 0.927 245 L HN 0.174 nan 8.230 nan 0.000 0.447 246 K N -0.024 120.365 120.400 -0.019 0.000 2.593 246 K HA 0.153 4.473 4.320 0.000 0.000 0.208 246 K C -0.195 176.389 176.600 -0.027 0.000 1.051 246 K CA -0.229 56.046 56.287 -0.021 0.000 1.111 246 K CB 0.393 32.882 32.500 -0.020 0.000 0.849 246 K HN 0.083 nan 8.250 nan 0.000 0.479 247 N N 2.272 120.953 118.700 -0.031 0.000 2.735 247 N HA -0.185 4.555 4.740 0.000 0.000 0.248 247 N C -0.957 174.529 175.510 -0.041 0.000 1.083 247 N CA 1.131 54.158 53.050 -0.038 0.000 0.703 247 N CB -0.954 37.513 38.487 -0.032 0.000 1.005 247 N HN 0.490 nan 8.380 nan 0.000 0.550 248 Q N -1.321 118.453 119.800 -0.042 0.000 2.553 248 Q HA 0.648 4.988 4.340 0.000 0.000 0.293 248 Q C -0.134 175.837 176.000 -0.048 0.000 1.038 248 Q CA -0.810 54.976 55.803 -0.028 0.000 0.777 248 Q CB 1.832 30.562 28.738 -0.014 0.000 1.487 248 Q HN 0.290 nan 8.270 nan 0.000 0.426 249 T N -2.626 111.911 114.554 -0.027 0.000 2.942 249 T HA 0.255 4.606 4.350 0.000 0.000 0.289 249 T C 0.228 174.958 174.700 0.050 0.000 1.044 249 T CA -0.588 61.477 62.100 -0.058 0.000 1.023 249 T CB 0.707 69.495 68.868 -0.133 0.000 1.123 249 T HN 0.621 nan 8.240 nan 0.000 0.512 250 Y N 2.124 122.362 120.300 -0.103 0.000 2.128 250 Y HA -0.028 4.522 4.550 0.000 0.000 0.284 250 Y C 1.009 176.918 175.900 0.015 0.000 1.154 250 Y CA 1.845 59.913 58.100 -0.053 0.000 1.149 250 Y CB -0.286 38.120 38.460 -0.091 0.000 0.976 250 Y HN 0.891 nan 8.280 nan 0.000 0.505 251 N N -1.500 117.131 118.700 -0.116 0.000 3.002 251 N HA 0.143 4.884 4.740 0.000 0.000 0.331 251 N C -1.029 174.399 175.510 -0.137 0.000 1.384 251 N CA -0.292 52.655 53.050 -0.172 0.000 0.780 251 N CB 0.505 38.891 38.487 -0.168 0.000 1.492 251 N HN -0.091 nan 8.380 nan 0.000 0.608 252 T N 2.301 116.706 114.554 -0.247 0.000 2.779 252 T HA 0.344 4.694 4.350 0.000 0.000 0.296 252 T C -2.191 172.312 174.700 -0.327 0.000 0.938 252 T CA -0.506 61.257 62.100 -0.561 0.000 1.119 252 T CB 0.692 69.246 68.868 -0.523 0.000 0.891 252 T HN 0.460 nan 8.240 nan 0.000 0.526 253 P HA 0.467 nan 4.420 nan 0.000 0.282 253 P C -1.045 176.152 177.300 -0.172 0.000 1.259 253 P CA -0.855 62.130 63.100 -0.192 0.000 0.826 253 P CB 0.777 32.374 31.700 -0.171 0.000 1.064 254 A N 2.338 125.085 122.820 -0.122 0.000 2.451 254 A HA 0.186 4.506 4.320 0.000 0.000 0.266 254 A C 1.507 179.012 177.584 -0.132 0.000 1.119 254 A CA -0.360 51.621 52.037 -0.093 0.000 0.786 254 A CB -0.900 18.073 19.000 -0.046 0.000 1.061 254 A HN 0.527 nan 8.150 nan 0.000 0.503 255 I N 2.434 122.893 120.570 -0.186 0.000 2.315 255 I HA -0.252 3.918 4.170 0.000 0.000 0.248 255 I C 2.719 178.604 176.117 -0.387 0.000 1.117 255 I CA 1.493 62.584 61.300 -0.347 0.000 1.404 255 I CB -0.203 37.475 38.000 -0.537 0.000 1.071 255 I HN 0.736 nan 8.210 nan 0.000 0.419 256 A N 0.401 123.091 122.820 -0.216 0.000 1.933 256 A HA -0.193 4.127 4.320 0.000 0.000 0.218 256 A C 2.383 179.957 177.584 -0.016 0.000 1.175 256 A CA 2.372 54.415 52.037 0.011 0.000 0.628 256 A CB -1.026 18.153 19.000 0.298 0.000 0.814 256 A HN 0.367 nan 8.150 nan 0.000 0.444 257 T N 0.468 115.002 114.554 -0.033 0.000 2.746 257 T HA -0.081 4.269 4.350 0.000 0.000 0.267 257 T C 1.815 176.482 174.700 -0.055 0.000 1.039 257 T CA 1.487 63.568 62.100 -0.031 0.000 1.142 257 T CB -0.376 68.467 68.868 -0.042 0.000 0.866 257 T HN 0.364 nan 8.240 nan 0.000 0.444 258 L N 0.687 121.853 121.223 -0.095 0.000 2.046 258 L HA -0.076 4.264 4.340 0.000 0.000 0.208 258 L C 3.026 179.846 176.870 -0.083 0.000 1.077 258 L CA 1.227 56.007 54.840 -0.101 0.000 0.747 258 L CB -0.634 41.348 42.059 -0.128 0.000 0.896 258 L HN 0.240 nan 8.230 nan 0.000 0.432 259 A N 0.011 122.769 122.820 -0.103 0.000 1.873 259 A HA -0.146 4.174 4.320 0.000 0.000 0.215 259 A C 2.242 179.815 177.584 -0.018 0.000 1.186 259 A CA 1.367 53.360 52.037 -0.074 0.000 0.616 259 A CB -0.682 18.254 19.000 -0.107 0.000 0.823 259 A HN 0.346 nan 8.150 nan 0.000 0.442 260 L N -1.020 120.202 121.223 -0.001 0.000 2.093 260 L HA -0.146 4.195 4.340 0.000 0.000 0.208 260 L C 2.552 179.445 176.870 0.039 0.000 1.085 260 L CA 1.019 55.871 54.840 0.020 0.000 0.755 260 L CB -0.498 41.577 42.059 0.027 0.000 0.904 260 L HN 0.475 nan 8.230 nan 0.000 0.435 261 L N 0.331 121.572 121.223 0.030 0.000 2.017 261 L HA -0.131 4.209 4.340 0.000 0.000 0.208 261 L C 2.643 179.544 176.870 0.052 0.000 1.073 261 L CA 2.072 56.941 54.840 0.049 0.000 0.745 261 L CB -0.802 41.245 42.059 -0.019 0.000 0.894 261 L HN 0.128 nan 8.230 nan 0.000 0.432 262 A N -0.719 122.110 122.820 0.015 0.000 1.908 262 A HA -0.263 4.057 4.320 0.000 0.000 0.218 262 A C 2.261 179.880 177.584 0.059 0.000 1.181 262 A CA 1.806 53.857 52.037 0.023 0.000 0.627 262 A CB -0.780 18.217 19.000 -0.005 0.000 0.818 262 A HN 0.568 nan 8.150 nan 0.000 0.445 263 E N -0.315 119.917 120.200 0.053 0.000 2.077 263 E HA -0.240 4.111 4.350 0.000 0.000 0.193 263 E C 2.128 178.805 176.600 0.128 0.000 0.989 263 E CA 1.843 58.282 56.400 0.065 0.000 0.800 263 E CB -0.293 29.422 29.700 0.025 0.000 0.746 263 E HN 0.634 nan 8.360 nan 0.000 0.452 264 Q N 0.046 119.937 119.800 0.153 0.000 2.079 264 Q HA -0.032 4.308 4.340 0.000 0.000 0.200 264 Q C 2.071 178.287 176.000 0.360 0.000 0.974 264 Q CA 1.744 57.705 55.803 0.263 0.000 0.840 264 Q CB -0.266 28.633 28.738 0.268 0.000 0.898 264 Q HN 0.463 nan 8.270 nan 0.000 0.430 265 I N 0.710 121.460 120.570 0.298 0.000 2.163 265 I HA -0.287 3.883 4.170 0.000 0.000 0.243 265 I C 1.549 177.764 176.117 0.164 0.000 1.085 265 I CA 1.422 62.876 61.300 0.257 0.000 1.347 265 I CB -0.354 37.738 38.000 0.153 0.000 1.044 265 I HN 0.217 nan 8.210 nan 0.000 0.408 266 D N -0.167 120.315 120.400 0.137 0.000 2.144 266 D HA -0.235 4.405 4.640 0.000 0.000 0.199 266 D C 1.664 178.028 176.300 0.106 0.000 0.984 266 D CA 1.061 55.116 54.000 0.091 0.000 0.834 266 D CB -0.335 40.512 40.800 0.078 0.000 0.955 266 D HN 0.456 nan 8.370 nan 0.000 0.465 267 W N 1.409 122.688 121.300 -0.035 0.000 2.379 267 W HA -0.070 4.590 4.660 0.000 0.000 0.307 267 W C 1.999 178.424 176.519 -0.156 0.000 1.200 267 W CA 1.037 58.330 57.345 -0.087 0.000 1.297 267 W CB -0.491 28.944 29.460 -0.042 0.000 1.140 267 W HN -0.089 nan 8.180 nan 0.000 0.507 268 L N -0.363 120.850 121.223 -0.017 0.000 2.017 268 L HA -0.261 4.079 4.340 0.000 0.000 0.208 268 L C 2.320 179.038 176.870 -0.253 0.000 1.073 268 L CA 1.429 56.151 54.840 -0.197 0.000 0.745 268 L CB -1.424 40.670 42.059 0.058 0.000 0.894 268 L HN -0.165 nan 8.230 nan 0.000 0.432 269 V N 0.234 120.069 119.914 -0.131 0.000 2.343 269 V HA -0.221 3.899 4.120 0.000 0.000 0.247 269 V C 2.580 178.551 176.094 -0.206 0.000 1.051 269 V CA 2.042 64.262 62.300 -0.133 0.000 1.036 269 V CB -1.256 30.528 31.823 -0.065 0.000 0.654 269 V HN 0.591 nan 8.190 nan 0.000 0.451 270 G N -0.072 108.587 108.800 -0.234 0.000 2.471 270 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 270 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 270 G C 1.280 175.927 174.900 -0.423 0.000 1.125 270 G CA 0.658 45.603 45.100 -0.258 0.000 0.775 270 G HN 0.535 nan 8.290 nan 0.000 0.548 271 N N 0.232 118.504 118.700 -0.713 0.000 2.353 271 N HA 0.157 4.897 4.740 0.000 0.000 0.185 271 N C 1.524 176.525 175.510 -0.848 0.000 1.098 271 N CA 0.918 53.301 53.050 -1.112 0.000 0.872 271 N CB 0.644 37.751 38.487 -2.300 0.000 0.970 271 N HN 0.422 nan 8.380 nan 0.000 0.467 272 G N -1.177 107.361 108.800 -0.437 0.000 2.234 272 G HA2 0.114 4.074 3.960 0.000 0.000 0.153 272 G HA3 0.114 4.074 3.960 0.000 0.000 0.153 272 G C 0.472 175.341 174.900 -0.053 0.000 1.013 272 G CA 0.134 45.134 45.100 -0.167 0.000 0.712 272 G HN 0.655 nan 8.290 nan 0.000 0.491 273 G N -0.829 107.918 108.800 -0.089 0.000 2.632 273 G HA2 0.063 4.024 3.960 0.000 0.000 0.224 273 G HA3 0.063 4.024 3.960 0.000 0.000 0.224 273 G C 0.775 175.679 174.900 0.005 0.000 1.341 273 G CA 0.150 45.217 45.100 -0.055 0.000 0.880 273 G HN 1.448 nan 8.290 nan 0.000 0.566 274 L N 0.242 121.422 121.223 -0.071 0.000 2.079 274 L HA 0.049 4.389 4.340 0.000 0.000 0.210 274 L C 2.429 179.293 176.870 -0.011 0.000 1.081 274 L CA 3.141 57.934 54.840 -0.079 0.000 0.752 274 L CB -0.736 41.234 42.059 -0.148 0.000 0.896 274 L HN 0.599 nan 8.230 nan 0.000 0.433 275 D N -1.518 118.888 120.400 0.009 0.000 2.117 275 D HA -0.264 4.376 4.640 0.000 0.000 0.197 275 D C 1.743 178.064 176.300 0.034 0.000 0.987 275 D CA 1.462 55.473 54.000 0.017 0.000 0.829 275 D CB -0.453 40.360 40.800 0.021 0.000 0.961 275 D HN 0.594 nan 8.370 nan 0.000 0.460 276 W N 1.881 123.118 121.300 -0.105 0.000 2.358 276 W HA -0.120 4.540 4.660 0.000 0.000 0.303 276 W C 2.365 178.812 176.519 -0.120 0.000 1.208 276 W CA 2.283 59.555 57.345 -0.122 0.000 1.274 276 W CB -0.305 29.052 29.460 -0.172 0.000 1.138 276 W HN -0.042 nan 8.180 nan 0.000 0.515 277 A N -0.124 122.686 122.820 -0.017 0.000 1.908 277 A HA -0.196 4.124 4.320 0.000 0.000 0.218 277 A C 1.993 179.422 177.584 -0.257 0.000 1.181 277 A CA 2.392 54.309 52.037 -0.200 0.000 0.627 277 A CB -1.209 17.785 19.000 -0.011 0.000 0.818 277 A HN 0.210 nan 8.150 nan 0.000 0.445 278 V N -0.008 119.815 119.914 -0.151 0.000 2.453 278 V HA -0.228 3.892 4.120 0.000 0.000 0.247 278 V C 2.390 178.393 176.094 -0.152 0.000 1.048 278 V CA 2.204 64.439 62.300 -0.107 0.000 1.049 278 V CB -0.624 31.175 31.823 -0.040 0.000 0.672 278 V HN 0.540 nan 8.190 nan 0.000 0.457 279 K N 0.037 120.311 120.400 -0.210 0.000 2.097 279 K HA -0.212 4.108 4.320 0.000 0.000 0.206 279 K C 2.338 178.756 176.600 -0.304 0.000 1.049 279 K CA 1.554 57.706 56.287 -0.225 0.000 0.933 279 K CB -0.209 32.157 32.500 -0.222 0.000 0.717 279 K HN 0.251 nan 8.250 nan 0.000 0.442 280 R N 1.111 121.301 120.500 -0.516 0.000 2.070 280 R HA -0.130 4.210 4.340 0.000 0.000 0.233 280 R C 2.346 178.489 176.300 -0.262 0.000 1.137 280 R CA 2.409 58.207 56.100 -0.504 0.000 0.945 280 R CB -0.724 29.058 30.300 -0.863 0.000 0.845 280 R HN 0.336 nan 8.270 nan 0.000 0.430 281 T N -2.150 112.280 114.554 -0.206 0.000 2.867 281 T HA 0.036 4.386 4.350 0.000 0.000 0.268 281 T C 1.967 176.624 174.700 -0.073 0.000 1.057 281 T CA 0.903 62.940 62.100 -0.105 0.000 1.136 281 T CB -0.418 68.418 68.868 -0.055 0.000 0.874 281 T HN 0.303 nan 8.240 nan 0.000 0.466 282 A N 2.096 124.870 122.820 -0.077 0.000 1.902 282 A HA -0.136 4.185 4.320 0.000 0.000 0.217 282 A C 2.235 179.796 177.584 -0.039 0.000 1.181 282 A CA 1.969 53.984 52.037 -0.036 0.000 0.623 282 A CB -1.083 17.893 19.000 -0.038 0.000 0.818 282 A HN 0.560 nan 8.150 nan 0.000 0.443 283 D N -0.317 120.038 120.400 -0.076 0.000 2.084 283 D HA -0.101 4.539 4.640 0.000 0.000 0.194 283 D C 2.201 178.468 176.300 -0.054 0.000 0.990 283 D CA 1.794 55.755 54.000 -0.064 0.000 0.826 283 D CB -0.255 40.490 40.800 -0.091 0.000 0.971 283 D HN 0.316 nan 8.370 nan 0.000 0.453 284 S N -0.401 115.258 115.700 -0.070 0.000 2.359 284 S HA -0.191 4.279 4.470 0.000 0.000 0.224 284 S C 2.155 176.695 174.600 -0.099 0.000 1.035 284 S CA 1.896 60.054 58.200 -0.071 0.000 1.018 284 S CB -0.505 62.656 63.200 -0.066 0.000 0.876 284 S HN 0.521 nan 8.310 nan 0.000 0.448 285 S N 1.386 117.028 115.700 -0.097 0.000 2.406 285 S HA -0.077 4.393 4.470 0.000 0.000 0.228 285 S C 1.785 176.330 174.600 -0.093 0.000 1.020 285 S CA 0.682 58.775 58.200 -0.177 0.000 0.965 285 S CB -0.490 62.684 63.200 -0.043 0.000 0.798 285 S HN 0.488 nan 8.310 nan 0.000 0.488 286 Q N 1.091 120.906 119.800 0.025 0.000 2.135 286 Q HA -0.050 4.290 4.340 0.000 0.000 0.204 286 Q C 2.476 178.505 176.000 0.048 0.000 0.981 286 Q CA 1.546 57.395 55.803 0.077 0.000 0.856 286 Q CB -0.180 28.588 28.738 0.049 0.000 0.902 286 Q HN 0.597 nan 8.270 nan 0.000 0.425 287 R N -0.086 120.410 120.500 -0.006 0.000 2.075 287 R HA -0.136 4.204 4.340 0.000 0.000 0.232 287 R C 2.232 178.540 176.300 0.015 0.000 1.126 287 R CA 1.032 57.131 56.100 -0.002 0.000 0.963 287 R CB -0.364 29.911 30.300 -0.043 0.000 0.858 287 R HN 0.159 nan 8.270 nan 0.000 0.435 288 L N -0.339 120.832 121.223 -0.085 0.000 1.994 288 L HA -0.170 4.170 4.340 0.000 0.000 0.208 288 L C 1.799 178.722 176.870 0.088 0.000 1.071 288 L CA 1.771 56.563 54.840 -0.080 0.000 0.745 288 L CB -0.430 41.429 42.059 -0.334 0.000 0.892 288 L HN 0.089 nan 8.230 nan 0.000 0.431 289 Y N -0.778 119.599 120.300 0.129 0.000 2.242 289 Y HA -0.111 4.439 4.550 0.000 0.000 0.291 289 Y C 2.802 178.740 175.900 0.064 0.000 1.137 289 Y CA 1.129 59.282 58.100 0.090 0.000 1.181 289 Y CB -1.148 37.340 38.460 0.048 0.000 0.989 289 Y HN 0.177 nan 8.280 nan 0.000 0.527 290 S N -0.711 115.116 115.700 0.212 0.000 2.356 290 S HA -0.239 4.231 4.470 0.000 0.000 0.223 290 S C 1.724 176.396 174.600 0.119 0.000 1.032 290 S CA 1.406 59.683 58.200 0.129 0.000 1.005 290 S CB -0.747 62.517 63.200 0.106 0.000 0.867 290 S HN 0.727 nan 8.310 nan 0.000 0.449 291 W N 2.523 123.808 121.300 -0.026 0.000 2.338 291 W HA -0.149 4.511 4.660 0.000 0.000 0.304 291 W C 2.349 178.812 176.519 -0.094 0.000 1.212 291 W CA 1.365 58.674 57.345 -0.059 0.000 1.264 291 W CB -0.711 28.714 29.460 -0.059 0.000 1.142 291 W HN 0.232 nan 8.180 nan 0.000 0.512 292 A N 0.144 122.850 122.820 -0.190 0.000 1.972 292 A HA -0.235 4.085 4.320 0.000 0.000 0.219 292 A C 1.913 179.251 177.584 -0.410 0.000 1.169 292 A CA 1.888 53.608 52.037 -0.529 0.000 0.635 292 A CB -0.780 18.160 19.000 -0.100 0.000 0.810 292 A HN 0.579 nan 8.150 nan 0.000 0.446 293 Q N -0.684 118.996 119.800 -0.200 0.000 2.123 293 Q HA -0.158 4.182 4.340 0.000 0.000 0.199 293 Q C 1.900 177.763 176.000 -0.227 0.000 0.966 293 Q CA 1.502 57.203 55.803 -0.171 0.000 0.845 293 Q CB -0.124 28.569 28.738 -0.075 0.000 0.907 293 Q HN 0.776 nan 8.270 nan 0.000 0.439 294 E N 0.108 120.162 120.200 -0.244 0.000 2.106 294 E HA -0.068 4.282 4.350 0.000 0.000 0.192 294 E C 0.209 176.599 176.600 -0.351 0.000 0.984 294 E CA 0.410 56.672 56.400 -0.231 0.000 0.806 294 E CB 0.274 29.888 29.700 -0.142 0.000 0.750 294 E HN 0.062 nan 8.360 nan 0.000 0.458 295 R N 1.179 121.313 120.500 -0.609 0.000 2.390 295 R HA 0.080 4.421 4.340 0.000 0.000 0.291 295 R C -1.741 174.125 176.300 -0.723 0.000 1.070 295 R CA -1.808 53.796 56.100 -0.826 0.000 1.014 295 R CB 0.112 29.554 30.300 -1.430 0.000 1.007 295 R HN 0.071 nan 8.270 nan 0.000 0.466 296 P HA -0.047 nan 4.420 nan 0.000 0.236 296 P C 0.303 177.451 177.300 -0.253 0.000 1.177 296 P CA 0.947 63.862 63.100 -0.308 0.000 0.773 296 P CB 0.084 31.703 31.700 -0.136 0.000 0.878 297 Y N -0.620 119.544 120.300 -0.226 0.000 2.485 297 Y HA 0.404 4.954 4.550 0.000 0.000 0.260 297 Y C 0.469 176.116 175.900 -0.422 0.000 1.173 297 Y CA -0.751 57.215 58.100 -0.223 0.000 1.252 297 Y CB -1.044 37.333 38.460 -0.139 0.000 1.123 297 Y HN -0.181 nan 8.280 nan 0.000 0.524 298 T N -2.424 111.770 114.554 -0.601 0.000 2.906 298 T HA 0.688 5.038 4.350 0.000 0.000 0.295 298 T C -0.656 173.804 174.700 -0.400 0.000 1.075 298 T CA -0.723 60.982 62.100 -0.658 0.000 1.005 298 T CB 2.273 70.528 68.868 -1.022 0.000 1.136 298 T HN 0.104 nan 8.240 nan 0.000 0.498 299 T N 1.547 115.958 114.554 -0.238 0.000 3.012 299 T HA 0.553 4.904 4.350 0.000 0.000 0.330 299 T C -3.158 171.547 174.700 0.009 0.000 1.321 299 T CA -1.178 60.853 62.100 -0.115 0.000 1.067 299 T CB 1.555 70.384 68.868 -0.065 0.000 1.235 299 T HN 0.472 nan 8.240 nan 0.000 0.479 300 P HA 0.143 nan 4.420 nan 0.000 0.264 300 P C 0.390 177.795 177.300 0.174 0.000 1.193 300 P CA -0.251 62.934 63.100 0.142 0.000 0.763 300 P CB 0.128 31.855 31.700 0.045 0.000 0.810 301 F N 5.128 125.130 119.950 0.086 0.000 2.126 301 F HA -0.110 4.417 4.527 0.000 0.000 0.299 301 F C 0.478 176.305 175.800 0.044 0.000 1.096 301 F CA 1.204 59.250 58.000 0.076 0.000 1.255 301 F CB -0.231 38.838 39.000 0.115 0.000 0.997 301 F HN -0.011 nan 8.300 nan 0.000 0.479 302 V N 2.421 122.282 119.914 -0.089 0.000 2.405 302 V HA 0.065 4.185 4.120 0.000 0.000 0.264 302 V C 1.447 177.436 176.094 -0.175 0.000 1.048 302 V CA 0.659 62.815 62.300 -0.239 0.000 0.966 302 V CB 0.330 32.064 31.823 -0.148 0.000 1.015 302 V HN 0.486 nan 8.190 nan 0.000 0.477 303 T N 0.169 114.616 114.554 -0.177 0.000 3.014 303 T HA -0.031 4.319 4.350 0.000 0.000 0.263 303 T C 0.711 175.337 174.700 -0.122 0.000 1.078 303 T CA 0.254 62.280 62.100 -0.125 0.000 1.135 303 T CB 0.009 68.817 68.868 -0.100 0.000 0.895 303 T HN 0.543 nan 8.240 nan 0.000 0.480 304 D N 3.040 123.362 120.400 -0.132 0.000 2.336 304 D HA 0.244 4.884 4.640 0.000 0.000 0.249 304 D C -1.718 174.504 176.300 -0.129 0.000 1.213 304 D CA -2.641 51.291 54.000 -0.115 0.000 0.870 304 D CB 1.743 42.479 40.800 -0.107 0.000 1.076 304 D HN 0.029 nan 8.370 nan 0.000 0.483 305 P HA -0.037 nan 4.420 nan 0.000 0.219 305 P C 1.319 178.550 177.300 -0.114 0.000 1.146 305 P CA 0.808 63.820 63.100 -0.147 0.000 0.808 305 P CB 0.181 31.814 31.700 -0.112 0.000 0.779 306 G N -0.518 108.233 108.800 -0.082 0.000 2.498 306 G HA2 -0.160 3.800 3.960 0.000 0.000 0.219 306 G HA3 -0.160 3.800 3.960 0.000 0.000 0.219 306 G C 1.268 176.141 174.900 -0.045 0.000 1.119 306 G CA 0.337 45.405 45.100 -0.054 0.000 0.766 306 G HN 0.275 nan 8.290 nan 0.000 0.552 307 L N -0.551 120.630 121.223 -0.069 0.000 2.640 307 L HA 0.269 4.609 4.340 0.000 0.000 0.230 307 L C 1.012 177.860 176.870 -0.037 0.000 1.123 307 L CA -0.309 54.502 54.840 -0.049 0.000 0.900 307 L CB 0.234 42.245 42.059 -0.080 0.000 1.146 307 L HN 0.014 nan 8.230 nan 0.000 0.484 308 R N 1.069 121.511 120.500 -0.097 0.000 2.351 308 R HA 0.078 4.418 4.340 0.000 0.000 0.318 308 R C 0.513 176.836 176.300 0.037 0.000 1.055 308 R CA -0.072 55.944 56.100 -0.140 0.000 0.968 308 R CB 0.790 30.779 30.300 -0.517 0.000 0.974 308 R HN -0.028 nan 8.270 nan 0.000 0.439 309 S N 2.241 118.032 115.700 0.151 0.000 2.537 309 S HA -0.046 4.424 4.470 0.000 0.000 0.286 309 S C 1.168 175.914 174.600 0.243 0.000 1.299 309 S CA -0.202 58.107 58.200 0.181 0.000 1.067 309 S CB 0.819 64.128 63.200 0.181 0.000 0.864 309 S HN 0.602 nan 8.310 nan 0.000 0.494 310 Q N 2.536 122.429 119.800 0.154 0.000 2.291 310 Q HA -0.058 4.282 4.340 0.000 0.000 0.205 310 Q C 1.738 177.763 176.000 0.042 0.000 0.970 310 Q CA 1.428 57.300 55.803 0.115 0.000 0.876 310 Q CB -0.095 28.680 28.738 0.061 0.000 0.935 310 Q HN 0.840 nan 8.270 nan 0.000 0.455 311 V N -4.604 115.336 119.914 0.043 0.000 3.379 311 V HA 0.194 4.314 4.120 0.000 0.000 0.249 311 V C 0.741 176.734 176.094 -0.168 0.000 1.184 311 V CA -0.165 62.117 62.300 -0.031 0.000 1.106 311 V CB 0.776 32.695 31.823 0.160 0.000 0.826 311 V HN -0.106 nan 8.190 nan 0.000 0.465 312 V N 1.799 121.707 119.914 -0.011 0.000 2.447 312 V HA 0.829 4.949 4.120 0.000 0.000 0.292 312 V C 0.336 176.501 176.094 0.118 0.000 1.021 312 V CA 0.087 62.391 62.300 0.006 0.000 0.850 312 V CB 1.089 32.968 31.823 0.094 0.000 1.005 312 V HN 0.419 nan 8.190 nan 0.000 0.426 313 G N 2.361 111.207 108.800 0.077 0.000 2.384 313 G HA2 0.573 4.533 3.960 0.000 0.000 0.316 313 G HA3 0.573 4.533 3.960 0.000 0.000 0.316 313 G C 0.011 175.044 174.900 0.222 0.000 1.160 313 G CA -0.395 44.801 45.100 0.160 0.000 0.936 313 G HN 0.687 nan 8.290 nan 0.000 0.455 314 T N 0.761 115.517 114.554 0.336 0.000 2.743 314 T HA 0.558 4.908 4.350 0.000 0.000 0.292 314 T C -0.110 174.802 174.700 0.353 0.000 0.972 314 T CA -0.776 61.518 62.100 0.324 0.000 0.967 314 T CB 1.299 70.408 68.868 0.401 0.000 0.926 314 T HN 0.172 nan 8.240 nan 0.000 0.459 315 I N 3.287 124.043 120.570 0.311 0.000 2.382 315 I HA 0.352 4.522 4.170 0.000 0.000 0.285 315 I C -0.129 176.192 176.117 0.340 0.000 1.007 315 I CA -0.953 60.534 61.300 0.312 0.000 1.142 315 I CB 1.091 39.302 38.000 0.352 0.000 1.289 315 I HN 0.644 nan 8.210 nan 0.000 0.453 316 D N 5.366 125.917 120.400 0.252 0.000 2.341 316 D HA 0.362 5.002 4.640 0.000 0.000 0.245 316 D C -0.558 175.908 176.300 0.276 0.000 1.106 316 D CA 0.375 54.529 54.000 0.256 0.000 0.905 316 D CB 1.083 41.991 40.800 0.180 0.000 1.202 316 D HN 0.061 nan 8.370 nan 0.000 0.426 317 F N 0.382 120.366 119.950 0.057 0.000 2.480 317 F HA 0.229 4.757 4.527 0.000 0.000 0.329 317 F C 0.539 176.373 175.800 0.056 0.000 1.091 317 F CA -1.184 56.859 58.000 0.073 0.000 0.972 317 F CB 1.174 40.226 39.000 0.087 0.000 1.150 317 F HN 0.033 nan 8.300 nan 0.000 0.467 318 V N 0.051 120.072 119.914 0.179 0.000 3.287 318 V HA 0.069 4.189 4.120 0.000 0.000 0.306 318 V C 1.170 177.343 176.094 0.133 0.000 1.103 318 V CA -0.312 62.061 62.300 0.122 0.000 1.159 318 V CB 0.442 32.318 31.823 0.088 0.000 1.036 318 V HN 0.867 nan 8.190 nan 0.000 0.487 319 D N 1.728 122.179 120.400 0.085 0.000 2.149 319 D HA -0.309 4.331 4.640 0.000 0.000 0.194 319 D C 1.275 177.612 176.300 0.061 0.000 1.001 319 D CA 2.171 56.210 54.000 0.065 0.000 0.849 319 D CB -0.640 40.187 40.800 0.044 0.000 0.939 319 D HN 0.932 nan 8.370 nan 0.000 0.449 320 D N 0.133 120.570 120.400 0.062 0.000 2.339 320 D HA -0.006 4.634 4.640 0.000 0.000 0.217 320 D C 0.139 176.466 176.300 0.044 0.000 1.050 320 D CA -0.239 53.786 54.000 0.041 0.000 0.856 320 D CB 0.256 41.074 40.800 0.029 0.000 0.922 320 D HN 0.137 nan 8.370 nan 0.000 0.518 321 V N 1.588 121.557 119.914 0.093 0.000 2.378 321 V HA 0.136 4.256 4.120 0.000 0.000 0.288 321 V C -0.361 175.800 176.094 0.111 0.000 1.016 321 V CA -1.003 61.363 62.300 0.110 0.000 0.840 321 V CB 1.725 33.668 31.823 0.199 0.000 0.994 321 V HN -0.008 nan 8.190 nan 0.000 0.431 322 D N 4.073 124.481 120.400 0.013 0.000 2.365 322 D HA 0.347 4.988 4.640 0.000 0.000 0.237 322 D C 0.970 177.170 176.300 -0.166 0.000 1.190 322 D CA 0.120 54.091 54.000 -0.047 0.000 0.867 322 D CB 1.987 42.763 40.800 -0.039 0.000 1.050 322 D HN 0.603 nan 8.370 nan 0.000 0.491 323 A N 3.468 126.102 122.820 -0.308 0.000 2.015 323 A HA -0.014 4.306 4.320 0.000 0.000 0.219 323 A C 2.018 179.416 177.584 -0.311 0.000 1.163 323 A CA 1.476 53.145 52.037 -0.612 0.000 0.646 323 A CB -0.402 18.117 19.000 -0.801 0.000 0.806 323 A HN 0.618 nan 8.150 nan 0.000 0.448 324 G N -0.795 107.900 108.800 -0.176 0.000 2.418 324 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 324 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 324 G C 1.563 176.413 174.900 -0.082 0.000 1.158 324 G CA 1.632 46.669 45.100 -0.104 0.000 0.771 324 G HN 0.426 nan 8.290 nan 0.000 0.545 325 T N 0.922 115.429 114.554 -0.080 0.000 2.746 325 T HA -0.103 4.247 4.350 0.000 0.000 0.267 325 T C 2.563 177.232 174.700 -0.051 0.000 1.039 325 T CA 1.202 63.272 62.100 -0.051 0.000 1.142 325 T CB -0.298 68.545 68.868 -0.042 0.000 0.866 325 T HN 0.060 nan 8.240 nan 0.000 0.444 326 V N 1.918 121.776 119.914 -0.093 0.000 2.287 326 V HA -0.216 3.904 4.120 0.000 0.000 0.248 326 V C 2.932 178.997 176.094 -0.048 0.000 1.053 326 V CA 1.829 64.087 62.300 -0.070 0.000 1.027 326 V CB -1.287 30.460 31.823 -0.127 0.000 0.646 326 V HN 0.546 nan 8.190 nan 0.000 0.447 327 A N -0.468 122.304 122.820 -0.081 0.000 1.940 327 A HA -0.253 4.067 4.320 0.000 0.000 0.219 327 A C 2.300 179.881 177.584 -0.005 0.000 1.176 327 A CA 2.056 54.070 52.037 -0.039 0.000 0.631 327 A CB -0.447 18.524 19.000 -0.048 0.000 0.814 327 A HN 0.566 nan 8.150 nan 0.000 0.446 328 K N -0.611 119.785 120.400 -0.007 0.000 2.057 328 K HA -0.032 4.288 4.320 0.000 0.000 0.207 328 K C 1.796 178.419 176.600 0.038 0.000 1.049 328 K CA 1.495 57.792 56.287 0.016 0.000 0.931 328 K CB -0.327 32.181 32.500 0.012 0.000 0.714 328 K HN 0.534 nan 8.250 nan 0.000 0.440 329 I N 1.149 121.739 120.570 0.033 0.000 2.252 329 I HA -0.274 3.896 4.170 0.000 0.000 0.245 329 I C 2.170 178.316 176.117 0.049 0.000 1.102 329 I CA 1.045 62.373 61.300 0.046 0.000 1.385 329 I CB -0.210 37.815 38.000 0.041 0.000 1.064 329 I HN 0.109 nan 8.210 nan 0.000 0.414 330 L N 0.320 121.568 121.223 0.041 0.000 2.012 330 L HA -0.267 4.073 4.340 0.000 0.000 0.210 330 L C 2.797 179.698 176.870 0.053 0.000 1.073 330 L CA 1.589 56.453 54.840 0.041 0.000 0.748 330 L CB -0.650 41.427 42.059 0.029 0.000 0.891 330 L HN 0.250 nan 8.230 nan 0.000 0.431 331 R N 0.373 120.905 120.500 0.053 0.000 2.081 331 R HA -0.180 4.160 4.340 0.000 0.000 0.235 331 R C 2.253 178.593 176.300 0.066 0.000 1.131 331 R CA 1.497 57.631 56.100 0.057 0.000 0.960 331 R CB -0.266 30.062 30.300 0.047 0.000 0.856 331 R HN 0.343 nan 8.270 nan 0.000 0.436 332 A N 0.628 123.500 122.820 0.088 0.000 2.067 332 A HA -0.076 4.244 4.320 0.000 0.000 0.219 332 A C 1.316 178.994 177.584 0.157 0.000 1.158 332 A CA 1.208 53.325 52.037 0.134 0.000 0.661 332 A CB -0.261 18.872 19.000 0.220 0.000 0.801 332 A HN 0.439 nan 8.150 nan 0.000 0.452 333 N N -0.704 118.059 118.700 0.105 0.000 2.276 333 N HA 0.172 4.912 4.740 0.000 0.000 0.212 333 N C 0.908 176.443 175.510 0.041 0.000 1.127 333 N CA 0.763 53.852 53.050 0.065 0.000 0.834 333 N CB 0.503 38.995 38.487 0.010 0.000 1.014 333 N HN 0.577 nan 8.380 nan 0.000 0.491 334 G N 1.327 110.156 108.800 0.049 0.000 2.143 334 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 334 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 334 G C 0.002 174.935 174.900 0.054 0.000 0.991 334 G CA -0.179 44.944 45.100 0.039 0.000 0.689 334 G HN 0.343 nan 8.290 nan 0.000 0.522 335 I N 1.233 121.849 120.570 0.076 0.000 2.371 335 I HA 0.506 4.676 4.170 0.000 0.000 0.282 335 I C 0.524 176.724 176.117 0.138 0.000 1.031 335 I CA -1.138 60.244 61.300 0.137 0.000 1.180 335 I CB 1.497 39.571 38.000 0.123 0.000 1.336 335 I HN 0.180 nan 8.210 nan 0.000 0.467 336 V N 1.579 121.586 119.914 0.156 0.000 2.919 336 V HA 0.655 4.775 4.120 0.000 0.000 0.316 336 V C -0.267 175.911 176.094 0.141 0.000 1.077 336 V CA -0.602 61.765 62.300 0.112 0.000 0.977 336 V CB 1.810 33.674 31.823 0.068 0.000 1.039 336 V HN 0.760 nan 8.190 nan 0.000 0.441 337 D N 1.193 121.657 120.400 0.107 0.000 2.873 337 D HA -0.154 4.486 4.640 0.000 0.000 0.228 337 D C 1.093 177.469 176.300 0.127 0.000 1.122 337 D CA 1.496 55.562 54.000 0.110 0.000 0.758 337 D CB -1.577 39.291 40.800 0.113 0.000 1.094 337 D HN 1.253 nan 8.370 nan 0.000 0.434 338 T N -3.515 111.100 114.554 0.101 0.000 3.086 338 T HA 0.199 4.549 4.350 0.000 0.000 0.250 338 T C 0.668 175.401 174.700 0.055 0.000 1.074 338 T CA -0.239 61.907 62.100 0.076 0.000 0.988 338 T CB 0.468 69.355 68.868 0.031 0.000 0.988 338 T HN -0.016 nan 8.240 nan 0.000 0.530 339 E N 3.603 123.833 120.200 0.050 0.000 2.415 339 E HA 0.260 4.610 4.350 0.000 0.000 0.262 339 E C -2.193 174.443 176.600 0.060 0.000 1.038 339 E CA -1.491 54.927 56.400 0.030 0.000 0.921 339 E CB 0.202 29.914 29.700 0.021 0.000 0.950 339 E HN 0.326 nan 8.360 nan 0.000 0.438 340 P HA -0.052 nan 4.420 nan 0.000 0.274 340 P C -0.738 176.630 177.300 0.114 0.000 1.256 340 P CA -0.372 62.779 63.100 0.085 0.000 0.795 340 P CB 0.317 32.038 31.700 0.034 0.000 1.038 341 Y N 2.095 122.441 120.300 0.077 0.000 2.810 341 Y HA -0.116 4.435 4.550 0.000 0.000 0.332 341 Y C 2.192 178.127 175.900 0.058 0.000 1.243 341 Y CA 0.226 58.385 58.100 0.099 0.000 1.537 341 Y CB 0.457 38.995 38.460 0.130 0.000 1.265 341 Y HN 0.383 nan 8.280 nan 0.000 0.572 342 R N 3.363 123.436 120.500 -0.713 0.000 2.159 342 R HA -0.155 4.186 4.340 0.000 0.000 0.237 342 R C 0.810 176.916 176.300 -0.324 0.000 1.131 342 R CA 2.044 57.889 56.100 -0.426 0.000 0.982 342 R CB -0.281 29.798 30.300 -0.369 0.000 0.868 342 R HN 0.620 nan 8.270 nan 0.000 0.453 343 K N 0.278 120.435 120.400 -0.404 0.000 2.379 343 K HA 0.061 4.381 4.320 0.000 0.000 0.194 343 K C 1.674 178.302 176.600 0.046 0.000 1.031 343 K CA -0.017 56.219 56.287 -0.084 0.000 1.037 343 K CB 0.122 32.652 32.500 0.049 0.000 0.824 343 K HN 0.044 nan 8.250 nan 0.000 0.516 344 L N 0.995 122.273 121.223 0.093 0.000 2.109 344 L HA 0.051 4.391 4.340 0.000 0.000 0.207 344 L C 1.030 177.913 176.870 0.021 0.000 1.086 344 L CA 1.853 56.751 54.840 0.095 0.000 0.760 344 L CB -0.557 41.569 42.059 0.111 0.000 0.910 344 L HN 0.430 nan 8.230 nan 0.000 0.437 345 G N 0.157 108.954 108.800 -0.005 0.000 2.176 345 G HA2 -0.296 3.664 3.960 0.000 0.000 0.252 345 G HA3 -0.296 3.664 3.960 0.000 0.000 0.252 345 G C 0.403 175.287 174.900 -0.027 0.000 1.024 345 G CA 0.480 45.572 45.100 -0.014 0.000 0.755 345 G HN 0.460 nan 8.290 nan 0.000 0.507 346 R N -0.970 119.497 120.500 -0.055 0.000 2.828 346 R HA 0.463 4.803 4.340 0.000 0.000 0.264 346 R C -0.234 176.037 176.300 -0.049 0.000 1.022 346 R CA -1.040 55.017 56.100 -0.072 0.000 1.021 346 R CB 0.667 30.858 30.300 -0.180 0.000 1.163 346 R HN 0.096 nan 8.270 nan 0.000 0.494 347 N N 1.941 120.629 118.700 -0.019 0.000 2.663 347 N HA 0.004 4.744 4.740 0.000 0.000 0.250 347 N C -1.225 174.310 175.510 0.041 0.000 1.129 347 N CA 0.256 53.305 53.050 -0.000 0.000 0.995 347 N CB 0.356 38.867 38.487 0.040 0.000 1.324 347 N HN 0.444 nan 8.380 nan 0.000 0.512 348 Q N 2.584 122.376 119.800 -0.013 0.000 2.435 348 Q HA 0.424 4.764 4.340 0.000 0.000 0.282 348 Q C -1.688 174.319 176.000 0.012 0.000 1.020 348 Q CA -0.779 55.064 55.803 0.067 0.000 0.820 348 Q CB 1.278 30.009 28.738 -0.011 0.000 1.436 348 Q HN 0.369 nan 8.270 nan 0.000 0.395 349 L N 2.010 123.316 121.223 0.138 0.000 2.334 349 L HA 0.691 5.031 4.340 0.000 0.000 0.273 349 L C -0.400 176.562 176.870 0.153 0.000 1.013 349 L CA -0.832 54.076 54.840 0.114 0.000 0.816 349 L CB 1.959 44.121 42.059 0.172 0.000 1.278 349 L HN 0.564 nan 8.230 nan 0.000 0.431 350 R N 1.640 122.211 120.500 0.117 0.000 2.476 350 R HA 0.671 5.011 4.340 0.000 0.000 0.305 350 R C -1.903 174.452 176.300 0.092 0.000 0.965 350 R CA -0.473 55.705 56.100 0.129 0.000 0.867 350 R CB 1.879 32.271 30.300 0.153 0.000 1.176 350 R HN 0.430 nan 8.270 nan 0.000 0.447 351 V N 3.827 123.775 119.914 0.057 0.000 2.407 351 V HA 0.544 4.664 4.120 0.000 0.000 0.291 351 V C -0.017 176.053 176.094 -0.040 0.000 1.018 351 V CA -0.850 61.452 62.300 0.004 0.000 0.842 351 V CB 1.434 33.197 31.823 -0.099 0.000 0.996 351 V HN 0.943 nan 8.190 nan 0.000 0.426 352 A N 5.586 128.373 122.820 -0.055 0.000 2.316 352 A HA 0.846 5.167 4.320 0.000 0.000 0.284 352 A C 0.150 177.549 177.584 -0.309 0.000 1.115 352 A CA -0.316 51.496 52.037 -0.376 0.000 0.812 352 A CB 0.560 19.226 19.000 -0.556 0.000 1.064 352 A HN 0.897 nan 8.150 nan 0.000 0.489 353 M N 2.201 121.498 119.600 -0.505 0.000 3.262 353 M HA 0.232 4.712 4.480 0.000 0.000 0.450 353 M C -1.219 174.985 176.300 -0.159 0.000 1.524 353 M CA -0.087 55.079 55.300 -0.223 0.000 0.770 353 M CB 0.165 32.675 32.600 -0.151 0.000 1.459 353 M HN 0.619 nan 8.290 nan 0.000 0.517 354 F N 1.047 121.001 119.950 0.008 0.000 2.586 354 F HA 0.117 4.644 4.527 0.000 0.000 0.344 354 F C -1.215 174.589 175.800 0.007 0.000 1.188 354 F CA -1.287 56.704 58.000 -0.015 0.000 1.359 354 F CB -0.482 38.506 39.000 -0.019 0.000 1.129 354 F HN 0.011 nan 8.300 nan 0.000 0.609 355 P HA -0.175 nan 4.420 nan 0.000 0.219 355 P C 1.267 178.797 177.300 0.384 0.000 1.146 355 P CA 2.197 65.425 63.100 0.214 0.000 0.808 355 P CB -0.084 31.761 31.700 0.242 0.000 0.779 356 A N -0.591 122.419 122.820 0.316 0.000 1.978 356 A HA -0.084 4.237 4.320 0.000 0.000 0.220 356 A C 1.134 178.781 177.584 0.104 0.000 1.170 356 A CA 0.917 53.044 52.037 0.150 0.000 0.636 356 A CB -1.395 17.596 19.000 -0.014 0.000 0.810 356 A HN 0.065 nan 8.150 nan 0.000 0.448 357 V N 1.339 121.306 119.914 0.087 0.000 2.529 357 V HA 0.124 4.244 4.120 0.000 0.000 0.292 357 V C 0.347 176.476 176.094 0.058 0.000 1.028 357 V CA -0.204 62.103 62.300 0.012 0.000 1.074 357 V CB 0.762 32.574 31.823 -0.018 0.000 0.958 357 V HN 0.552 nan 8.190 nan 0.000 0.481 358 E N 7.763 127.991 120.200 0.046 0.000 2.290 358 E HA 0.213 4.564 4.350 0.000 0.000 0.277 358 E C -1.796 174.834 176.600 0.050 0.000 1.035 358 E CA -1.786 54.654 56.400 0.067 0.000 0.873 358 E CB 1.398 31.135 29.700 0.061 0.000 1.029 358 E HN 0.337 nan 8.360 nan 0.000 0.419 359 P HA -0.170 nan 4.420 nan 0.000 0.216 359 P C 0.252 177.557 177.300 0.009 0.000 1.153 359 P CA 1.194 64.296 63.100 0.003 0.000 0.858 359 P CB 0.247 31.935 31.700 -0.021 0.000 0.789 360 D N -0.916 119.495 120.400 0.019 0.000 2.182 360 D HA -0.149 4.491 4.640 0.000 0.000 0.201 360 D C 1.429 177.742 176.300 0.021 0.000 0.986 360 D CA 1.091 55.099 54.000 0.013 0.000 0.847 360 D CB -0.681 40.130 40.800 0.019 0.000 0.942 360 D HN 0.179 nan 8.370 nan 0.000 0.467 361 D N -0.400 120.034 120.400 0.058 0.000 2.224 361 D HA -0.062 4.579 4.640 0.000 0.000 0.205 361 D C 2.216 178.612 176.300 0.160 0.000 0.965 361 D CA 0.183 54.258 54.000 0.124 0.000 0.852 361 D CB 0.078 40.964 40.800 0.143 0.000 0.947 361 D HN 0.074 nan 8.370 nan 0.000 0.494 362 V N 0.485 120.455 119.914 0.094 0.000 2.307 362 V HA -0.200 3.920 4.120 0.000 0.000 0.245 362 V C 2.459 178.442 176.094 -0.186 0.000 1.045 362 V CA 1.480 63.744 62.300 -0.060 0.000 1.024 362 V CB -0.553 31.237 31.823 -0.055 0.000 0.651 362 V HN 0.134 nan 8.190 nan 0.000 0.449 363 S N 0.368 115.997 115.700 -0.118 0.000 2.365 363 S HA -0.240 4.230 4.470 0.000 0.000 0.225 363 S C 2.238 176.738 174.600 -0.166 0.000 1.039 363 S CA 1.637 59.753 58.200 -0.140 0.000 1.033 363 S CB -0.573 62.586 63.200 -0.068 0.000 0.887 363 S HN 0.662 nan 8.310 nan 0.000 0.447 364 A N 1.384 124.142 122.820 -0.103 0.000 1.902 364 A HA -0.075 4.246 4.320 0.000 0.000 0.217 364 A C 2.128 179.615 177.584 -0.161 0.000 1.181 364 A CA 1.569 53.550 52.037 -0.094 0.000 0.623 364 A CB -0.822 18.160 19.000 -0.030 0.000 0.818 364 A HN 0.425 nan 8.150 nan 0.000 0.443 365 L N 0.706 121.794 121.223 -0.225 0.000 2.013 365 L HA -0.198 4.142 4.340 0.000 0.000 0.212 365 L C 2.730 179.326 176.870 -0.457 0.000 1.073 365 L CA 3.225 57.837 54.840 -0.379 0.000 0.753 365 L CB -1.144 40.477 42.059 -0.730 0.000 0.890 365 L HN 0.598 nan 8.230 nan 0.000 0.432 366 T N -3.558 110.616 114.554 -0.633 0.000 2.821 366 T HA -0.230 4.120 4.350 0.000 0.000 0.267 366 T C 1.802 176.190 174.700 -0.520 0.000 1.046 366 T CA 1.333 62.785 62.100 -1.080 0.000 1.139 366 T CB -0.594 67.270 68.868 -1.673 0.000 0.871 366 T HN 0.591 nan 8.240 nan 0.000 0.454 367 E N 0.015 120.057 120.200 -0.264 0.000 2.106 367 E HA -0.107 4.243 4.350 0.000 0.000 0.192 367 E C 2.141 178.762 176.600 0.036 0.000 0.984 367 E CA 1.232 57.604 56.400 -0.047 0.000 0.806 367 E CB -0.329 29.353 29.700 -0.030 0.000 0.750 367 E HN 0.634 nan 8.360 nan 0.000 0.458 368 C N -0.079 119.197 119.300 -0.040 0.000 2.429 368 C HA -0.081 4.380 4.460 0.000 0.000 0.277 368 C C 2.627 177.699 174.990 0.136 0.000 1.262 368 C CA 0.432 59.463 59.018 0.022 0.000 1.733 368 C CB -0.728 26.977 27.740 -0.059 0.000 2.010 368 C HN 0.336 nan 8.230 nan 0.000 0.483 369 V N 1.313 121.271 119.914 0.074 0.000 2.295 369 V HA -0.216 3.904 4.120 0.000 0.000 0.246 369 V C 2.153 178.446 176.094 0.332 0.000 1.049 369 V CA 2.258 64.690 62.300 0.220 0.000 1.024 369 V CB -0.714 31.280 31.823 0.285 0.000 0.648 369 V HN 0.485 nan 8.190 nan 0.000 0.447 370 D N -1.277 119.342 120.400 0.366 0.000 2.123 370 D HA -0.235 4.405 4.640 0.000 0.000 0.196 370 D C 1.730 178.185 176.300 0.258 0.000 0.992 370 D CA 1.555 55.786 54.000 0.385 0.000 0.833 370 D CB -0.297 40.736 40.800 0.388 0.000 0.954 370 D HN 0.670 nan 8.370 nan 0.000 0.455 371 W N 1.288 122.634 121.300 0.077 0.000 2.358 371 W HA -0.190 4.470 4.660 0.000 0.000 0.303 371 W C 2.125 178.652 176.519 0.014 0.000 1.208 371 W CA 1.130 58.495 57.345 0.034 0.000 1.274 371 W CB -0.186 29.282 29.460 0.014 0.000 1.138 371 W HN -0.243 nan 8.180 nan 0.000 0.515 372 V N 0.002 120.114 119.914 0.330 0.000 2.270 372 V HA -0.317 3.803 4.120 0.000 0.000 0.245 372 V C 2.066 178.129 176.094 -0.050 0.000 1.043 372 V CA 1.883 64.271 62.300 0.146 0.000 1.014 372 V CB -1.252 30.695 31.823 0.207 0.000 0.645 372 V HN 0.101 nan 8.190 nan 0.000 0.447 373 V N -0.049 119.855 119.914 -0.017 0.000 2.407 373 V HA -0.273 3.847 4.120 0.000 0.000 0.248 373 V C 2.376 178.352 176.094 -0.195 0.000 1.055 373 V CA 2.016 64.235 62.300 -0.134 0.000 1.049 373 V CB -0.724 30.928 31.823 -0.285 0.000 0.662 373 V HN 0.635 nan 8.190 nan 0.000 0.455 374 E N -0.274 119.817 120.200 -0.182 0.000 2.265 374 E HA -0.180 4.170 4.350 0.000 0.000 0.196 374 E C 2.004 178.459 176.600 -0.241 0.000 0.996 374 E CA 0.800 57.084 56.400 -0.193 0.000 0.832 374 E CB -0.076 29.518 29.700 -0.176 0.000 0.756 374 E HN 0.545 nan 8.360 nan 0.000 0.491 375 R N -0.126 120.192 120.500 -0.303 0.000 2.432 375 R HA 0.230 4.570 4.340 0.000 0.000 0.260 375 R C 0.403 176.588 176.300 -0.190 0.000 0.935 375 R CA -0.272 55.644 56.100 -0.307 0.000 1.080 375 R CB 0.505 30.493 30.300 -0.521 0.000 1.155 375 R HN 0.012 nan 8.270 nan 0.000 0.531 376 L N 0.000 121.134 121.223 -0.148 0.000 2.949 376 L HA 0.000 4.340 4.340 0.000 0.000 0.249 376 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 376 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 376 L HN 0.000 nan 8.230 nan 0.000 0.502