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 3m0y_1_A DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQAHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV A 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.823 175.800 0.038 0.000 0.967 4 F CA 0.000 58.011 58.000 0.018 0.000 1.383 4 F CB 0.000 39.008 39.000 0.012 0.000 1.145 5 R N 1.254 121.864 120.500 0.183 0.000 2.081 5 R HA 0.052 4.393 4.340 0.001 0.000 0.235 5 R C 0.416 176.823 176.300 0.178 0.000 1.131 5 R CA 1.202 57.401 56.100 0.165 0.000 0.960 5 R CB 0.163 30.491 30.300 0.046 0.000 0.856 5 R HN 0.276 nan 8.270 nan 0.000 0.436 6 I N 1.000 121.653 120.570 0.139 0.000 2.354 6 I HA 0.226 4.397 4.170 0.001 0.000 0.292 6 I C 0.185 176.350 176.117 0.081 0.000 0.989 6 I CA -1.467 59.892 61.300 0.099 0.000 1.188 6 I CB 1.122 39.150 38.000 0.046 0.000 1.342 6 I HN -0.054 nan 8.210 nan 0.000 0.457 7 A N 6.207 129.058 122.820 0.052 0.000 2.567 7 A HA 0.020 4.340 4.320 0.001 0.000 0.240 7 A C 1.290 178.821 177.584 -0.089 0.000 1.053 7 A CA 0.163 52.197 52.037 -0.006 0.000 0.755 7 A CB 0.079 19.079 19.000 0.000 0.000 0.978 7 A HN 0.828 nan 8.150 nan 0.000 0.507 8 Q N 1.296 120.969 119.800 -0.212 0.000 2.170 8 Q HA -0.239 4.102 4.340 0.001 0.000 0.203 8 Q C 1.240 177.147 176.000 -0.154 0.000 0.976 8 Q CA 1.874 57.511 55.803 -0.276 0.000 0.858 8 Q CB -0.185 28.278 28.738 -0.458 0.000 0.907 8 Q HN 1.044 nan 8.270 nan 0.000 0.433 9 D N -0.135 120.198 120.400 -0.111 0.000 2.178 9 D HA -0.128 4.513 4.640 0.001 0.000 0.202 9 D C 1.719 177.986 176.300 -0.055 0.000 0.974 9 D CA 0.791 54.748 54.000 -0.073 0.000 0.841 9 D CB -0.363 40.405 40.800 -0.053 0.000 0.953 9 D HN 0.034 nan 8.370 nan 0.000 0.478 10 V N 0.497 120.382 119.914 -0.048 0.000 2.307 10 V HA -0.210 3.911 4.120 0.001 0.000 0.245 10 V C 2.682 178.757 176.094 -0.032 0.000 1.045 10 V CA 1.315 63.596 62.300 -0.031 0.000 1.024 10 V CB -0.394 31.418 31.823 -0.019 0.000 0.651 10 V HN 0.193 nan 8.190 nan 0.000 0.449 11 V N 0.508 120.396 119.914 -0.044 0.000 2.295 11 V HA -0.261 3.860 4.120 0.001 0.000 0.246 11 V C 2.755 178.823 176.094 -0.043 0.000 1.049 11 V CA 2.082 64.358 62.300 -0.040 0.000 1.024 11 V CB -1.299 30.491 31.823 -0.054 0.000 0.648 11 V HN 0.545 nan 8.190 nan 0.000 0.447 12 A N -0.120 122.666 122.820 -0.058 0.000 1.883 12 A HA -0.280 4.041 4.320 0.001 0.000 0.217 12 A C 2.442 180.004 177.584 -0.038 0.000 1.186 12 A CA 2.198 54.205 52.037 -0.051 0.000 0.624 12 A CB -0.629 18.334 19.000 -0.060 0.000 0.822 12 A HN 0.456 nan 8.150 nan 0.000 0.444 13 R N -0.622 119.857 120.500 -0.035 0.000 2.083 13 R HA -0.158 4.183 4.340 0.001 0.000 0.237 13 R C 1.944 178.232 176.300 -0.021 0.000 1.137 13 R CA 1.712 57.796 56.100 -0.026 0.000 0.951 13 R CB -0.227 30.059 30.300 -0.024 0.000 0.851 13 R HN 0.482 nan 8.270 nan 0.000 0.434 14 E N 0.301 120.489 120.200 -0.019 0.000 2.106 14 E HA -0.138 4.213 4.350 0.001 0.000 0.192 14 E C 1.657 178.248 176.600 -0.015 0.000 0.984 14 E CA 1.081 57.473 56.400 -0.013 0.000 0.806 14 E CB -0.403 29.293 29.700 -0.007 0.000 0.750 14 E HN 0.515 nan 8.360 nan 0.000 0.458 15 N N 0.762 119.450 118.700 -0.021 0.000 2.142 15 N HA -0.126 4.615 4.740 0.001 0.000 0.186 15 N C 1.266 176.762 175.510 -0.024 0.000 1.023 15 N CA 0.956 53.992 53.050 -0.023 0.000 0.852 15 N CB 0.053 38.523 38.487 -0.029 0.000 0.998 15 N HN 0.087 nan 8.380 nan 0.000 0.424 16 D N 0.760 121.146 120.400 -0.025 0.000 2.144 16 D HA -0.149 4.492 4.640 0.001 0.000 0.199 16 D C 1.811 178.099 176.300 -0.019 0.000 0.984 16 D CA 0.720 54.706 54.000 -0.023 0.000 0.834 16 D CB -0.206 40.580 40.800 -0.023 0.000 0.955 16 D HN 0.234 nan 8.370 nan 0.000 0.465 17 R N 0.809 121.299 120.500 -0.016 0.000 2.120 17 R HA -0.044 4.297 4.340 0.001 0.000 0.234 17 R C 1.383 177.676 176.300 -0.012 0.000 1.123 17 R CA 0.989 57.082 56.100 -0.013 0.000 0.975 17 R CB 0.177 30.470 30.300 -0.011 0.000 0.866 17 R HN 0.104 nan 8.270 nan 0.000 0.446 18 R N -1.005 119.487 120.500 -0.013 0.000 2.397 18 R HA 0.236 4.577 4.340 0.001 0.000 0.241 18 R C 1.720 178.012 176.300 -0.013 0.000 0.914 18 R CA 0.334 56.427 56.100 -0.011 0.000 1.071 18 R CB 0.613 30.907 30.300 -0.009 0.000 1.116 18 R HN 0.116 nan 8.270 nan 0.000 0.524 19 A N 1.054 123.863 122.820 -0.018 0.000 1.883 19 A HA -0.233 4.088 4.320 0.001 0.000 0.217 19 A C 2.170 179.744 177.584 -0.018 0.000 1.186 19 A CA 2.126 54.149 52.037 -0.023 0.000 0.624 19 A CB -0.623 18.361 19.000 -0.027 0.000 0.822 19 A HN 0.287 nan 8.150 nan 0.000 0.444 20 S N -0.435 115.257 115.700 -0.013 0.000 2.359 20 S HA -0.092 4.379 4.470 0.001 0.000 0.224 20 S C 2.195 176.794 174.600 -0.002 0.000 1.035 20 S CA 1.825 60.020 58.200 -0.008 0.000 1.018 20 S CB -0.548 62.647 63.200 -0.008 0.000 0.876 20 S HN 0.892 nan 8.310 nan 0.000 0.448 21 A N 1.212 124.031 122.820 -0.002 0.000 1.933 21 A HA 0.016 4.337 4.320 0.001 0.000 0.218 21 A C 2.168 179.758 177.584 0.011 0.000 1.175 21 A CA 1.640 53.678 52.037 0.002 0.000 0.628 21 A CB -0.866 18.133 19.000 -0.002 0.000 0.814 21 A HN 0.589 nan 8.150 nan 0.000 0.444 22 L N 0.015 121.243 121.223 0.009 0.000 2.046 22 L HA -0.116 4.225 4.340 0.001 0.000 0.208 22 L C 2.219 179.118 176.870 0.048 0.000 1.077 22 L CA 2.576 57.430 54.840 0.023 0.000 0.747 22 L CB -0.615 41.442 42.059 -0.004 0.000 0.896 22 L HN 0.449 nan 8.230 nan 0.000 0.432 23 K N -0.725 119.687 120.400 0.020 0.000 2.009 23 K HA -0.208 4.113 4.320 0.001 0.000 0.210 23 K C 1.960 178.599 176.600 0.066 0.000 1.049 23 K CA 1.714 58.020 56.287 0.032 0.000 0.929 23 K CB -0.075 32.429 32.500 0.006 0.000 0.714 23 K HN 0.333 nan 8.250 nan 0.000 0.440 24 E N 1.180 121.404 120.200 0.039 0.000 2.058 24 E HA -0.194 4.157 4.350 0.001 0.000 0.194 24 E C 1.836 178.458 176.600 0.036 0.000 0.997 24 E CA 1.286 57.704 56.400 0.031 0.000 0.801 24 E CB -0.355 29.353 29.700 0.013 0.000 0.746 24 E HN 0.425 nan 8.360 nan 0.000 0.450 25 D N -0.257 120.168 120.400 0.042 0.000 2.117 25 D HA -0.140 4.500 4.640 0.001 0.000 0.198 25 D C 1.971 178.299 176.300 0.047 0.000 0.982 25 D CA 0.740 54.757 54.000 0.029 0.000 0.828 25 D CB -0.461 40.353 40.800 0.023 0.000 0.967 25 D HN 0.215 nan 8.370 nan 0.000 0.464 26 Y N 1.997 122.279 120.300 -0.029 0.000 2.145 26 Y HA -0.171 4.380 4.550 0.002 0.000 0.286 26 Y C 2.132 178.017 175.900 -0.027 0.000 1.145 26 Y CA 1.699 59.782 58.100 -0.029 0.000 1.148 26 Y CB 0.076 38.522 38.460 -0.024 0.000 0.981 26 Y HN -0.038 nan 8.280 nan 0.000 0.507 27 E N -0.234 120.067 120.200 0.168 0.000 2.150 27 E HA -0.168 4.182 4.350 0.001 0.000 0.193 27 E C 2.275 178.866 176.600 -0.016 0.000 0.985 27 E CA 0.750 57.198 56.400 0.080 0.000 0.814 27 E CB -0.242 29.511 29.700 0.089 0.000 0.752 27 E HN 0.578 nan 8.360 nan 0.000 0.466 28 A N 1.392 124.198 122.820 -0.022 0.000 1.897 28 A HA -0.122 4.199 4.320 0.001 0.000 0.215 28 A C 2.167 179.701 177.584 -0.084 0.000 1.181 28 A CA 0.806 52.817 52.037 -0.043 0.000 0.620 28 A CB -0.426 18.554 19.000 -0.033 0.000 0.821 28 A HN 0.219 nan 8.150 nan 0.000 0.443 29 L N 0.255 121.403 121.223 -0.125 0.000 2.093 29 L HA 0.022 4.363 4.340 0.001 0.000 0.208 29 L C 2.315 179.060 176.870 -0.209 0.000 1.085 29 L CA 2.235 56.971 54.840 -0.173 0.000 0.755 29 L CB -1.048 40.878 42.059 -0.223 0.000 0.904 29 L HN 0.285 nan 8.230 nan 0.000 0.435 30 G N -0.986 107.655 108.800 -0.264 0.000 2.418 30 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 30 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 30 G C 1.581 176.409 174.900 -0.121 0.000 1.158 30 G CA 0.783 45.744 45.100 -0.232 0.000 0.771 30 G HN 0.627 nan 8.290 nan 0.000 0.545 31 A N 1.024 123.792 122.820 -0.087 0.000 1.898 31 A HA -0.082 4.238 4.320 0.001 0.000 0.216 31 A C 2.211 179.760 177.584 -0.059 0.000 1.181 31 A CA 1.816 53.819 52.037 -0.056 0.000 0.620 31 A CB -0.550 18.427 19.000 -0.040 0.000 0.819 31 A HN 0.437 nan 8.150 nan 0.000 0.442 32 N N 0.427 119.085 118.700 -0.071 0.000 2.120 32 N HA -0.109 4.632 4.740 0.001 0.000 0.188 32 N C 1.734 177.203 175.510 -0.068 0.000 1.024 32 N CA 1.517 54.527 53.050 -0.066 0.000 0.852 32 N CB -0.255 38.187 38.487 -0.074 0.000 1.003 32 N HN 0.501 nan 8.380 nan 0.000 0.424 33 L N 0.729 121.900 121.223 -0.087 0.000 2.093 33 L HA -0.071 4.269 4.340 0.001 0.000 0.208 33 L C 2.717 179.551 176.870 -0.061 0.000 1.085 33 L CA 1.063 55.855 54.840 -0.081 0.000 0.755 33 L CB -0.534 41.459 42.059 -0.109 0.000 0.904 33 L HN 0.168 nan 8.230 nan 0.000 0.435 34 A N 0.181 122.966 122.820 -0.059 0.000 1.908 34 A HA -0.219 4.102 4.320 0.001 0.000 0.218 34 A C 2.347 179.912 177.584 -0.032 0.000 1.181 34 A CA 1.461 53.474 52.037 -0.041 0.000 0.627 34 A CB -0.497 18.481 19.000 -0.036 0.000 0.818 34 A HN 0.320 nan 8.150 nan 0.000 0.445 35 R N -0.921 119.559 120.500 -0.034 0.000 2.193 35 R HA -0.042 4.299 4.340 0.001 0.000 0.229 35 R C 1.668 177.953 176.300 -0.024 0.000 1.110 35 R CA 1.243 57.327 56.100 -0.027 0.000 0.988 35 R CB -0.149 30.134 30.300 -0.028 0.000 0.871 35 R HN 0.462 nan 8.270 nan 0.000 0.458 36 R N -0.790 119.693 120.500 -0.028 0.000 2.334 36 R HA 0.114 4.455 4.340 0.001 0.000 0.216 36 R C 0.764 177.052 176.300 -0.020 0.000 0.905 36 R CA 0.482 56.568 56.100 -0.023 0.000 1.064 36 R CB 0.882 31.166 30.300 -0.028 0.000 1.046 36 R HN 0.294 nan 8.270 nan 0.000 0.508 37 G N 0.693 109.480 108.800 -0.023 0.000 2.147 37 G HA2 -0.237 3.724 3.960 0.001 0.000 0.244 37 G HA3 -0.237 3.724 3.960 0.001 0.000 0.244 37 G C -0.070 174.816 174.900 -0.024 0.000 1.005 37 G CA 0.044 45.132 45.100 -0.020 0.000 0.713 37 G HN 0.141 nan 8.290 nan 0.000 0.515 38 V N 0.489 120.384 119.914 -0.032 0.000 2.513 38 V HA 0.556 4.676 4.120 0.001 0.000 0.299 38 V C -0.253 175.815 176.094 -0.043 0.000 1.035 38 V CA -0.908 61.369 62.300 -0.038 0.000 0.889 38 V CB 2.002 33.795 31.823 -0.049 0.000 0.988 38 V HN 0.290 nan 8.190 nan 0.000 0.440 39 D N 3.450 123.828 120.400 -0.035 0.000 2.411 39 D HA 0.195 4.836 4.640 0.001 0.000 0.225 39 D C 0.979 177.256 176.300 -0.039 0.000 1.156 39 D CA -0.171 53.812 54.000 -0.029 0.000 0.874 39 D CB 1.278 42.071 40.800 -0.012 0.000 1.034 39 D HN 0.570 nan 8.370 nan 0.000 0.502 40 I N 3.147 123.677 120.570 -0.067 0.000 2.335 40 I HA -0.272 3.899 4.170 0.001 0.000 0.251 40 I C 1.781 177.893 176.117 -0.009 0.000 1.129 40 I CA 1.299 62.538 61.300 -0.102 0.000 1.402 40 I CB 0.330 38.176 38.000 -0.257 0.000 1.069 40 I HN 0.338 nan 8.210 nan 0.000 0.424 41 E N 1.288 121.513 120.200 0.042 0.000 2.106 41 E HA -0.184 4.166 4.350 0.001 0.000 0.192 41 E C 1.979 178.611 176.600 0.054 0.000 0.984 41 E CA 1.610 58.064 56.400 0.090 0.000 0.806 41 E CB -0.237 29.510 29.700 0.078 0.000 0.750 41 E HN 0.556 nan 8.360 nan 0.000 0.458 42 A N -0.065 122.769 122.820 0.024 0.000 1.930 42 A HA -0.081 4.240 4.320 0.001 0.000 0.217 42 A C 2.437 180.025 177.584 0.006 0.000 1.175 42 A CA 1.457 53.503 52.037 0.015 0.000 0.627 42 A CB -0.561 18.441 19.000 0.003 0.000 0.815 42 A HN 0.192 nan 8.150 nan 0.000 0.443 43 V N -0.357 119.550 119.914 -0.013 0.000 2.307 43 V HA -0.197 3.923 4.120 0.001 0.000 0.245 43 V C 2.711 178.804 176.094 -0.001 0.000 1.045 43 V CA 2.398 64.674 62.300 -0.040 0.000 1.024 43 V CB -1.312 30.465 31.823 -0.076 0.000 0.651 43 V HN 0.575 nan 8.190 nan 0.000 0.449 44 T N 0.681 115.260 114.554 0.042 0.000 2.720 44 T HA -0.180 4.171 4.350 0.001 0.000 0.268 44 T C 2.056 176.795 174.700 0.065 0.000 1.037 44 T CA 1.645 63.795 62.100 0.083 0.000 1.144 44 T CB -0.447 68.520 68.868 0.165 0.000 0.864 44 T HN 0.565 nan 8.240 nan 0.000 0.444 45 A N 1.565 124.419 122.820 0.057 0.000 1.972 45 A HA -0.111 4.210 4.320 0.001 0.000 0.219 45 A C 2.271 179.887 177.584 0.054 0.000 1.169 45 A CA 1.367 53.435 52.037 0.051 0.000 0.635 45 A CB -0.315 18.712 19.000 0.045 0.000 0.810 45 A HN 0.446 nan 8.150 nan 0.000 0.446 46 K N -0.658 119.780 120.400 0.064 0.000 2.137 46 K HA 0.050 4.370 4.320 0.001 0.000 0.202 46 K C 1.884 178.590 176.600 0.178 0.000 1.052 46 K CA 0.994 57.349 56.287 0.114 0.000 0.961 46 K CB -0.269 32.304 32.500 0.122 0.000 0.741 46 K HN 0.281 nan 8.250 nan 0.000 0.452 47 V N 3.110 123.115 119.914 0.151 0.000 2.287 47 V HA -0.273 3.847 4.120 0.001 0.000 0.248 47 V C 2.311 178.450 176.094 0.076 0.000 1.053 47 V CA 2.259 64.658 62.300 0.165 0.000 1.027 47 V CB -0.698 31.168 31.823 0.071 0.000 0.646 47 V HN 0.491 nan 8.190 nan 0.000 0.447 48 E N 0.441 120.669 120.200 0.047 0.000 2.401 48 E HA -0.231 4.120 4.350 0.001 0.000 0.199 48 E C 1.591 178.159 176.600 -0.054 0.000 1.023 48 E CA 1.166 57.587 56.400 0.035 0.000 0.859 48 E CB -0.223 29.511 29.700 0.057 0.000 0.780 48 E HN 0.566 nan 8.360 nan 0.000 0.523 49 K N 0.108 120.392 120.400 -0.194 0.000 2.373 49 K HA 0.146 4.466 4.320 0.001 0.000 0.202 49 K C -0.554 175.385 176.600 -1.102 0.000 1.025 49 K CA -0.430 55.511 56.287 -0.577 0.000 1.115 49 K CB 0.321 32.684 32.500 -0.228 0.000 0.858 49 K HN 0.052 nan 8.250 nan 0.000 0.525 50 F N 1.666 121.116 119.950 -0.833 0.000 2.404 50 F HA 0.310 4.838 4.527 0.001 0.000 0.358 50 F C -0.721 174.672 175.800 -0.678 0.000 1.120 50 F CA -0.873 56.653 58.000 -0.790 0.000 1.144 50 F CB 0.310 38.842 39.000 -0.779 0.000 1.133 50 F HN -0.220 nan 8.300 nan 0.000 0.495 51 F N 5.361 124.866 119.950 -0.741 0.000 2.522 51 F HA 0.680 5.208 4.527 0.001 0.000 0.324 51 F C -0.486 175.009 175.800 -0.509 0.000 1.077 51 F CA -1.454 56.285 58.000 -0.435 0.000 0.944 51 F CB 1.545 40.402 39.000 -0.238 0.000 1.175 51 F HN 0.229 nan 8.300 nan 0.000 0.468 52 V N 1.901 121.823 119.914 0.014 0.000 2.760 52 V HA 0.860 4.980 4.120 0.001 0.000 0.309 52 V C -0.692 175.458 176.094 0.093 0.000 1.077 52 V CA -0.803 61.553 62.300 0.093 0.000 0.910 52 V CB 1.530 33.469 31.823 0.193 0.000 1.008 52 V HN 1.051 nan 8.190 nan 0.000 0.424 53 A N 5.577 128.461 122.820 0.106 0.000 2.425 53 A HA 0.668 4.988 4.320 0.001 0.000 0.249 53 A C -0.321 177.265 177.584 0.003 0.000 1.084 53 A CA -0.171 51.890 52.037 0.041 0.000 0.781 53 A CB 0.828 19.864 19.000 0.060 0.000 1.019 53 A HN 1.083 nan 8.150 nan 0.000 0.490 54 V N 4.823 124.700 119.914 -0.062 0.000 2.427 54 V HA 0.392 4.513 4.120 0.001 0.000 0.286 54 V C -2.011 173.936 176.094 -0.245 0.000 1.034 54 V CA -1.456 60.769 62.300 -0.125 0.000 0.893 54 V CB 1.779 33.537 31.823 -0.110 0.000 0.982 54 V HN 0.865 nan 8.190 nan 0.000 0.452 55 P HA 0.134 nan 4.420 nan 0.000 0.282 55 P C 0.771 177.665 177.300 -0.676 0.000 1.274 55 P CA -0.098 62.376 63.100 -1.044 0.000 0.770 55 P CB 1.386 32.031 31.700 -1.758 0.000 0.867 56 S N 3.257 118.762 115.700 -0.325 0.000 2.400 56 S HA -0.194 4.277 4.470 0.001 0.000 0.232 56 S C 1.472 176.126 174.600 0.090 0.000 1.025 56 S CA 0.870 59.078 58.200 0.012 0.000 0.993 56 S CB -1.461 61.878 63.200 0.230 0.000 0.808 56 S HN 0.683 nan 8.310 nan 0.000 0.478 57 W N 1.614 123.033 121.300 0.198 0.000 2.961 57 W HA 0.555 5.216 4.660 0.002 0.000 0.240 57 W C 1.544 178.105 176.519 0.070 0.000 1.305 57 W CA -0.198 57.222 57.345 0.124 0.000 1.465 57 W CB -0.638 28.977 29.460 0.258 0.000 1.135 57 W HN 0.237 nan 8.180 nan 0.000 0.688 58 G N 0.482 109.199 108.800 -0.138 0.000 3.159 58 G HA2 0.008 3.968 3.960 0.001 0.000 0.232 58 G HA3 0.008 3.968 3.960 0.001 0.000 0.232 58 G C 0.928 175.910 174.900 0.136 0.000 1.116 58 G CA 0.422 45.538 45.100 0.028 0.000 0.767 58 G HN 0.244 nan 8.290 nan 0.000 0.547 59 V N 0.847 120.783 119.914 0.037 0.000 3.129 59 V HA 0.362 4.483 4.120 0.001 0.000 0.259 59 V C 1.370 177.501 176.094 0.063 0.000 1.116 59 V CA 1.204 63.519 62.300 0.024 0.000 1.127 59 V CB -0.284 31.546 31.823 0.012 0.000 0.742 59 V HN 0.227 nan 8.190 nan 0.000 0.474 60 G N -0.445 108.404 108.800 0.081 0.000 2.434 60 G HA2 0.453 4.414 3.960 0.001 0.000 0.330 60 G HA3 0.453 4.414 3.960 0.001 0.000 0.330 60 G C -0.366 174.595 174.900 0.102 0.000 1.155 60 G CA -0.240 44.904 45.100 0.074 0.000 0.917 60 G HN 0.216 nan 8.290 nan 0.000 0.493 61 T N 0.517 115.127 114.554 0.094 0.000 2.916 61 T HA 0.434 4.785 4.350 0.001 0.000 0.303 61 T C 1.029 175.780 174.700 0.085 0.000 1.025 61 T CA 0.602 62.770 62.100 0.115 0.000 1.142 61 T CB 1.099 70.035 68.868 0.113 0.000 0.947 61 T HN 0.716 nan 8.240 nan 0.000 0.544 62 G N 0.735 109.591 108.800 0.093 0.000 2.532 62 G HA2 0.744 4.705 3.960 0.001 0.000 0.291 62 G HA3 0.744 4.705 3.960 0.001 0.000 0.291 62 G C -0.066 174.871 174.900 0.062 0.000 1.349 62 G CA -0.321 44.812 45.100 0.055 0.000 1.038 62 G HN 1.004 nan 8.290 nan 0.000 0.518 63 G N -2.154 106.672 108.800 0.044 0.000 2.600 63 G HA2 0.679 4.640 3.960 0.001 0.000 0.293 63 G HA3 0.679 4.640 3.960 0.001 0.000 0.293 63 G C -0.492 174.439 174.900 0.051 0.000 1.408 63 G CA 0.426 45.555 45.100 0.048 0.000 0.782 63 G HN 1.169 nan 8.290 nan 0.000 0.482 64 T N -2.915 111.677 114.554 0.064 0.000 2.841 64 T HA 0.473 4.824 4.350 0.001 0.000 0.276 64 T C 1.432 176.129 174.700 -0.006 0.000 1.003 64 T CA -0.096 62.045 62.100 0.069 0.000 0.995 64 T CB 1.658 70.631 68.868 0.176 0.000 1.260 64 T HN 0.835 nan 8.240 nan 0.000 0.581 65 R N -0.613 119.824 120.500 -0.105 0.000 2.280 65 R HA 0.113 4.454 4.340 0.001 0.000 0.207 65 R C 1.042 177.142 176.300 -0.334 0.000 1.043 65 R CA 0.980 56.935 56.100 -0.240 0.000 1.006 65 R CB -0.651 29.440 30.300 -0.349 0.000 0.885 65 R HN 0.494 nan 8.270 nan 0.000 0.467 66 F N 0.962 120.919 119.950 0.010 0.000 2.446 66 F HA 0.395 4.923 4.527 0.001 0.000 0.292 66 F C 1.093 176.861 175.800 -0.054 0.000 1.096 66 F CA 0.558 58.558 58.000 0.000 0.000 1.438 66 F CB 0.395 39.413 39.000 0.031 0.000 1.107 66 F HN 0.222 nan 8.300 nan 0.000 0.546 67 A N -0.414 122.435 122.820 0.048 0.000 2.522 67 A HA 0.621 4.942 4.320 0.001 0.000 0.294 67 A C -1.241 176.146 177.584 -0.329 0.000 1.001 67 A CA -0.872 51.033 52.037 -0.221 0.000 0.642 67 A CB 0.890 19.638 19.000 -0.420 0.000 1.326 67 A HN 0.059 nan 8.150 nan 0.000 0.435 68 R N 0.162 120.365 120.500 -0.495 0.000 2.575 68 R HA 0.725 5.066 4.340 0.001 0.000 0.293 68 R C -2.126 173.881 176.300 -0.488 0.000 0.983 68 R CA -0.490 55.413 56.100 -0.327 0.000 0.887 68 R CB 0.911 31.127 30.300 -0.140 0.000 1.184 68 R HN 0.591 nan 8.270 nan 0.000 0.445 69 F N 5.693 125.673 119.950 0.049 0.000 2.453 69 F HA 0.353 4.881 4.527 0.001 0.000 0.358 69 F C -1.652 174.174 175.800 0.044 0.000 1.129 69 F CA -2.002 56.025 58.000 0.045 0.000 1.200 69 F CB 1.105 40.133 39.000 0.046 0.000 1.431 69 F HN 0.322 nan 8.300 nan 0.000 0.503 70 P HA 0.181 nan 4.420 nan 0.000 0.269 70 P C 0.333 177.704 177.300 0.118 0.000 1.215 70 P CA 0.075 63.241 63.100 0.111 0.000 0.780 70 P CB 1.363 33.102 31.700 0.066 0.000 0.898 71 G N 0.918 109.778 108.800 0.100 0.000 2.583 71 G HA2 0.538 4.499 3.960 0.001 0.000 0.280 71 G HA3 0.538 4.499 3.960 0.001 0.000 0.280 71 G C -0.278 174.664 174.900 0.071 0.000 1.376 71 G CA -0.378 44.776 45.100 0.089 0.000 1.043 71 G HN 0.679 nan 8.290 nan 0.000 0.538 72 T N -3.599 110.992 114.554 0.062 0.000 2.899 72 T HA 0.457 4.808 4.350 0.001 0.000 0.284 72 T C 1.207 175.933 174.700 0.043 0.000 1.004 72 T CA 0.713 62.840 62.100 0.044 0.000 1.043 72 T CB 1.062 69.949 68.868 0.031 0.000 1.013 72 T HN 2.164 nan 8.240 nan 0.000 0.518 73 G N 1.348 110.163 108.800 0.026 0.000 2.323 73 G HA2 -0.197 3.764 3.960 0.001 0.000 0.292 73 G HA3 -0.197 3.764 3.960 0.001 0.000 0.292 73 G C -0.048 174.878 174.900 0.043 0.000 1.040 73 G CA -0.100 45.011 45.100 0.018 0.000 0.942 73 G HN 0.886 nan 8.290 nan 0.000 0.506 74 E N 0.938 121.166 120.200 0.047 0.000 2.376 74 E HA 0.161 4.512 4.350 0.001 0.000 0.266 74 E C -1.595 175.038 176.600 0.055 0.000 1.009 74 E CA -1.373 55.060 56.400 0.055 0.000 0.902 74 E CB 0.691 30.418 29.700 0.046 0.000 0.972 74 E HN 0.364 nan 8.360 nan 0.000 0.439 75 P HA 0.032 nan 4.420 nan 0.000 0.265 75 P C 0.052 177.390 177.300 0.064 0.000 1.193 75 P CA 0.112 63.257 63.100 0.075 0.000 0.765 75 P CB 0.704 32.455 31.700 0.085 0.000 0.823 76 R N 1.803 122.347 120.500 0.074 0.000 2.127 76 R HA 0.246 4.587 4.340 0.001 0.000 0.217 76 R C 1.469 177.818 176.300 0.081 0.000 1.074 76 R CA 1.237 57.379 56.100 0.069 0.000 0.991 76 R CB -0.110 30.234 30.300 0.073 0.000 0.895 76 R HN 0.670 nan 8.270 nan 0.000 0.450 77 G N -1.053 107.811 108.800 0.106 0.000 2.815 77 G HA2 0.208 4.169 3.960 0.001 0.000 0.305 77 G HA3 0.208 4.169 3.960 0.001 0.000 0.305 77 G C -0.270 174.678 174.900 0.080 0.000 1.277 77 G CA -0.639 44.526 45.100 0.108 0.000 0.795 77 G HN -0.003 nan 8.290 nan 0.000 0.528 78 I N -0.463 120.108 120.570 0.001 0.000 2.361 78 I HA 0.083 4.253 4.170 0.001 0.000 0.251 78 I C 2.138 178.151 176.117 -0.174 0.000 1.133 78 I CA 1.242 62.475 61.300 -0.113 0.000 1.413 78 I CB -0.422 37.428 38.000 -0.251 0.000 1.073 78 I HN 0.374 nan 8.210 nan 0.000 0.424 79 F N 0.681 120.693 119.950 0.105 0.000 2.146 79 F HA -0.140 4.387 4.527 0.001 0.000 0.298 79 F C 2.316 178.171 175.800 0.092 0.000 1.096 79 F CA 1.426 59.484 58.000 0.096 0.000 1.275 79 F CB -0.952 38.095 39.000 0.078 0.000 1.008 79 F HN 0.081 nan 8.300 nan 0.000 0.480 80 D N 0.362 120.906 120.400 0.239 0.000 2.117 80 D HA -0.134 4.507 4.640 0.001 0.000 0.197 80 D C 2.110 178.497 176.300 0.145 0.000 0.987 80 D CA 1.150 55.255 54.000 0.174 0.000 0.829 80 D CB -0.287 40.595 40.800 0.137 0.000 0.961 80 D HN 0.232 nan 8.370 nan 0.000 0.460 81 K N 0.156 120.623 120.400 0.113 0.000 2.057 81 K HA -0.058 4.263 4.320 0.001 0.000 0.207 81 K C 2.289 178.936 176.600 0.078 0.000 1.049 81 K CA 0.607 56.946 56.287 0.087 0.000 0.931 81 K CB -0.131 32.414 32.500 0.075 0.000 0.714 81 K HN 0.166 nan 8.250 nan 0.000 0.440 82 L N 1.006 122.280 121.223 0.085 0.000 2.093 82 L HA -0.206 4.135 4.340 0.001 0.000 0.208 82 L C 1.867 178.783 176.870 0.078 0.000 1.085 82 L CA 1.032 55.918 54.840 0.077 0.000 0.755 82 L CB -0.469 41.656 42.059 0.111 0.000 0.904 82 L HN 0.163 nan 8.230 nan 0.000 0.435 83 D N 0.175 120.651 120.400 0.126 0.000 2.123 83 D HA -0.187 4.454 4.640 0.001 0.000 0.196 83 D C 1.779 178.159 176.300 0.134 0.000 0.992 83 D CA 1.264 55.350 54.000 0.143 0.000 0.833 83 D CB -0.156 40.760 40.800 0.192 0.000 0.954 83 D HN 0.276 nan 8.370 nan 0.000 0.455 84 D N -0.622 119.864 120.400 0.142 0.000 2.183 84 D HA -0.065 4.576 4.640 0.001 0.000 0.203 84 D C 2.115 178.404 176.300 -0.019 0.000 0.969 84 D CA 0.373 54.437 54.000 0.106 0.000 0.842 84 D CB -0.442 40.444 40.800 0.145 0.000 0.957 84 D HN 0.224 nan 8.370 nan 0.000 0.484 85 C N 1.009 120.300 119.300 -0.015 0.000 2.435 85 C HA 0.015 4.476 4.460 0.001 0.000 0.279 85 C C 2.849 177.791 174.990 -0.080 0.000 1.321 85 C CA 0.607 59.589 59.018 -0.061 0.000 1.752 85 C CB -0.943 26.764 27.740 -0.055 0.000 1.959 85 C HN 0.353 nan 8.230 nan 0.000 0.500 86 A N 0.309 123.094 122.820 -0.059 0.000 1.972 86 A HA -0.100 4.221 4.320 0.001 0.000 0.219 86 A C 2.250 179.782 177.584 -0.086 0.000 1.169 86 A CA 2.030 54.026 52.037 -0.068 0.000 0.635 86 A CB -0.592 18.386 19.000 -0.036 0.000 0.810 86 A HN 0.387 nan 8.150 nan 0.000 0.446 87 V N 0.276 120.109 119.914 -0.134 0.000 2.307 87 V HA -0.267 3.854 4.120 0.001 0.000 0.245 87 V C 2.409 178.414 176.094 -0.148 0.000 1.045 87 V CA 2.029 64.211 62.300 -0.198 0.000 1.024 87 V CB -0.690 30.884 31.823 -0.414 0.000 0.651 87 V HN 0.596 nan 8.190 nan 0.000 0.449 88 I N 0.086 120.564 120.570 -0.155 0.000 2.226 88 I HA -0.295 3.876 4.170 0.001 0.000 0.245 88 I C 2.638 178.699 176.117 -0.093 0.000 1.100 88 I CA 1.879 63.095 61.300 -0.139 0.000 1.374 88 I CB -0.435 37.481 38.000 -0.140 0.000 1.057 88 I HN 0.367 nan 8.210 nan 0.000 0.413 89 Q N 1.274 121.021 119.800 -0.088 0.000 2.046 89 Q HA -0.251 4.090 4.340 0.001 0.000 0.200 89 Q C 2.160 178.133 176.000 -0.045 0.000 0.975 89 Q CA 1.756 57.514 55.803 -0.075 0.000 0.836 89 Q CB -0.419 28.255 28.738 -0.106 0.000 0.896 89 Q HN 0.469 nan 8.270 nan 0.000 0.428 90 Q N -0.511 119.268 119.800 -0.033 0.000 2.096 90 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 90 Q C 1.957 177.965 176.000 0.013 0.000 0.982 90 Q CA 1.780 57.592 55.803 0.015 0.000 0.850 90 Q CB -0.075 28.694 28.738 0.051 0.000 0.901 90 Q HN 0.536 nan 8.270 nan 0.000 0.422 91 L N -0.529 120.687 121.223 -0.011 0.000 2.162 91 L HA -0.052 4.289 4.340 0.001 0.000 0.205 91 L C 2.551 179.416 176.870 -0.008 0.000 1.086 91 L CA 1.466 56.301 54.840 -0.008 0.000 0.778 91 L CB -0.346 41.703 42.059 -0.016 0.000 0.928 91 L HN 0.364 nan 8.230 nan 0.000 0.446 92 T N -4.970 109.575 114.554 -0.015 0.000 3.040 92 T HA 0.056 4.407 4.350 0.001 0.000 0.252 92 T C 1.148 175.867 174.700 0.032 0.000 1.064 92 T CA -0.335 61.766 62.100 0.000 0.000 1.110 92 T CB 0.219 69.081 68.868 -0.010 0.000 0.921 92 T HN 0.100 nan 8.240 nan 0.000 0.480 93 R N 0.398 120.914 120.500 0.028 0.000 3.863 93 R HA -0.155 4.186 4.340 0.001 0.000 0.313 93 R C 0.836 177.223 176.300 0.146 0.000 1.202 93 R CA 0.885 57.019 56.100 0.057 0.000 0.852 93 R CB -2.441 27.904 30.300 0.076 0.000 1.292 93 R HN 0.721 nan 8.270 nan 0.000 0.519 94 A N -0.404 122.491 122.820 0.126 0.000 2.469 94 A HA 0.181 4.502 4.320 0.001 0.000 0.245 94 A C 0.842 178.524 177.584 0.164 0.000 1.221 94 A CA 0.805 52.981 52.037 0.232 0.000 0.946 94 A CB 0.493 19.584 19.000 0.151 0.000 1.049 94 A HN 0.285 nan 8.150 nan 0.000 0.529 95 T N -2.455 112.112 114.554 0.022 0.000 3.585 95 T HA 0.334 4.685 4.350 0.001 0.000 0.252 95 T C -1.849 172.765 174.700 -0.144 0.000 1.382 95 T CA -0.977 61.097 62.100 -0.043 0.000 1.584 95 T CB 0.906 69.747 68.868 -0.046 0.000 0.892 95 T HN 0.100 nan 8.240 nan 0.000 0.671 96 P HA 0.007 nan 4.420 nan 0.000 0.223 96 P C -0.194 176.935 177.300 -0.284 0.000 1.151 96 P CA 0.542 63.439 63.100 -0.338 0.000 0.787 96 P CB 0.244 31.589 31.700 -0.592 0.000 0.788 97 N N -0.320 118.247 118.700 -0.221 0.000 2.319 97 N HA 0.328 5.069 4.740 0.001 0.000 0.305 97 N C -0.836 174.592 175.510 -0.137 0.000 1.103 97 N CA -0.617 52.313 53.050 -0.199 0.000 0.815 97 N CB 2.724 41.132 38.487 -0.132 0.000 1.288 97 N HN -0.244 nan 8.380 nan 0.000 0.493 98 V N 0.464 120.295 119.914 -0.139 0.000 2.581 98 V HA 0.354 4.475 4.120 0.001 0.000 0.303 98 V C 0.291 176.455 176.094 0.116 0.000 1.041 98 V CA -0.677 61.607 62.300 -0.026 0.000 0.907 98 V CB 1.831 33.653 31.823 -0.003 0.000 0.994 98 V HN 0.609 nan 8.190 nan 0.000 0.442 99 S N 4.505 120.254 115.700 0.082 0.000 2.438 99 S HA 0.658 5.129 4.470 0.001 0.000 0.293 99 S C -0.506 174.285 174.600 0.318 0.000 1.141 99 S CA -0.509 57.805 58.200 0.190 0.000 1.080 99 S CB 0.086 63.379 63.200 0.156 0.000 0.978 99 S HN 0.512 nan 8.310 nan 0.000 0.479 100 L N 4.450 125.882 121.223 0.350 0.000 2.360 100 L HA 0.517 4.858 4.340 0.001 0.000 0.271 100 L C 0.114 177.230 176.870 0.411 0.000 1.057 100 L CA -0.857 54.204 54.840 0.368 0.000 0.803 100 L CB 0.966 43.133 42.059 0.181 0.000 1.207 100 L HN 0.582 nan 8.230 nan 0.000 0.445 101 H N 3.317 122.628 119.070 0.402 0.000 2.547 101 H HA 0.464 5.021 4.556 0.001 0.000 0.342 101 H C -0.978 174.414 175.328 0.106 0.000 1.048 101 H CA -0.549 55.633 56.048 0.223 0.000 1.204 101 H CB 1.790 31.731 29.762 0.297 0.000 1.493 101 H HN 0.231 nan 8.280 nan 0.000 0.511 102 I N 6.779 127.432 120.570 0.139 0.000 2.412 102 I HA 0.190 4.360 4.170 0.001 0.000 0.296 102 I C -1.599 174.572 176.117 0.089 0.000 0.987 102 I CA -2.640 58.728 61.300 0.113 0.000 1.180 102 I CB 1.810 39.830 38.000 0.033 0.000 1.340 102 I HN 0.453 nan 8.210 nan 0.000 0.455 103 P HA -0.040 nan 4.420 nan 0.000 0.249 103 P C 1.163 178.587 177.300 0.207 0.000 1.229 103 P CA 0.487 63.650 63.100 0.105 0.000 0.788 103 P CB 0.223 31.972 31.700 0.082 0.000 1.072 104 W N 2.070 123.437 121.300 0.113 0.000 2.304 104 W HA -0.134 4.527 4.660 0.001 0.000 0.315 104 W C 1.051 177.629 176.519 0.097 0.000 1.233 104 W CA 1.293 58.697 57.345 0.097 0.000 1.261 104 W CB -1.751 27.776 29.460 0.111 0.000 1.150 104 W HN 0.120 nan 8.180 nan 0.000 0.494 105 D N -0.358 120.255 120.400 0.354 0.000 2.358 105 D HA 0.022 4.663 4.640 0.001 0.000 0.224 105 D C 0.366 176.715 176.300 0.081 0.000 1.123 105 D CA 0.097 54.208 54.000 0.185 0.000 0.833 105 D CB -0.300 40.614 40.800 0.189 0.000 0.946 105 D HN 0.065 nan 8.370 nan 0.000 0.505 106 K N 1.205 121.669 120.400 0.107 0.000 2.484 106 K HA 0.297 4.617 4.320 0.001 0.000 0.280 106 K C -0.402 176.230 176.600 0.054 0.000 1.013 106 K CA 0.084 56.410 56.287 0.065 0.000 1.029 106 K CB 0.374 32.922 32.500 0.081 0.000 0.902 106 K HN 0.074 nan 8.250 nan 0.000 0.481 107 A N 3.519 126.361 122.820 0.035 0.000 2.540 107 A HA 0.179 4.500 4.320 0.001 0.000 0.291 107 A C -1.672 175.957 177.584 0.075 0.000 1.083 107 A CA -0.896 51.192 52.037 0.085 0.000 0.650 107 A CB 0.713 19.767 19.000 0.089 0.000 1.292 107 A HN 0.798 nan 8.150 nan 0.000 0.435 108 D N 0.706 121.180 120.400 0.123 0.000 2.451 108 D HA 0.309 4.950 4.640 0.001 0.000 0.254 108 D C -1.511 174.830 176.300 0.068 0.000 1.204 108 D CA -0.728 53.323 54.000 0.086 0.000 0.896 108 D CB 0.852 41.709 40.800 0.096 0.000 1.136 108 D HN 0.102 nan 8.370 nan 0.000 0.499 109 P HA -0.212 nan 4.420 nan 0.000 0.216 109 P C 0.809 178.117 177.300 0.014 0.000 1.154 109 P CA 1.659 64.746 63.100 -0.021 0.000 0.865 109 P CB 0.154 31.837 31.700 -0.028 0.000 0.789 110 K N -0.305 120.120 120.400 0.040 0.000 2.097 110 K HA -0.162 4.158 4.320 0.001 0.000 0.206 110 K C 2.050 178.707 176.600 0.095 0.000 1.049 110 K CA 1.337 57.658 56.287 0.057 0.000 0.933 110 K CB -0.352 32.175 32.500 0.045 0.000 0.717 110 K HN 0.318 nan 8.250 nan 0.000 0.442 111 E N 0.954 121.232 120.200 0.131 0.000 2.072 111 E HA -0.134 4.217 4.350 0.001 0.000 0.191 111 E C 2.169 178.965 176.600 0.327 0.000 0.985 111 E CA 0.788 57.315 56.400 0.211 0.000 0.801 111 E CB -0.118 29.741 29.700 0.264 0.000 0.750 111 E HN 0.223 nan 8.360 nan 0.000 0.452 112 L N 1.046 122.416 121.223 0.245 0.000 2.012 112 L HA -0.232 4.109 4.340 0.001 0.000 0.210 112 L C 2.617 179.634 176.870 0.245 0.000 1.073 112 L CA 1.230 56.158 54.840 0.147 0.000 0.748 112 L CB -0.376 41.589 42.059 -0.157 0.000 0.891 112 L HN 0.044 nan 8.230 nan 0.000 0.431 113 K N 0.514 121.012 120.400 0.164 0.000 2.032 113 K HA -0.161 4.159 4.320 0.001 0.000 0.209 113 K C 2.013 178.751 176.600 0.230 0.000 1.048 113 K CA 1.705 58.146 56.287 0.256 0.000 0.927 113 K CB -0.412 32.171 32.500 0.139 0.000 0.712 113 K HN 0.239 nan 8.250 nan 0.000 0.441 114 A N 0.654 123.577 122.820 0.172 0.000 1.902 114 A HA -0.168 4.153 4.320 0.001 0.000 0.217 114 A C 2.192 179.859 177.584 0.139 0.000 1.181 114 A CA 1.974 54.087 52.037 0.127 0.000 0.623 114 A CB -0.639 18.419 19.000 0.097 0.000 0.818 114 A HN 0.352 nan 8.150 nan 0.000 0.443 115 R N 0.099 120.727 120.500 0.214 0.000 2.081 115 R HA -0.038 4.303 4.340 0.001 0.000 0.235 115 R C 2.154 178.545 176.300 0.151 0.000 1.131 115 R CA 2.043 58.273 56.100 0.216 0.000 0.960 115 R CB -1.446 29.082 30.300 0.381 0.000 0.856 115 R HN 0.367 nan 8.270 nan 0.000 0.436 116 G N 0.409 109.326 108.800 0.194 0.000 2.459 116 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 116 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 116 G C 1.016 175.893 174.900 -0.039 0.000 1.183 116 G CA 1.075 46.183 45.100 0.012 0.000 0.776 116 G HN 0.372 nan 8.290 nan 0.000 0.552 117 D N 1.082 121.495 120.400 0.021 0.000 2.133 117 D HA -0.094 4.547 4.640 0.001 0.000 0.195 117 D C 2.785 179.066 176.300 -0.032 0.000 0.997 117 D CA 1.399 55.393 54.000 -0.010 0.000 0.840 117 D CB -0.568 40.246 40.800 0.023 0.000 0.947 117 D HN 0.327 nan 8.370 nan 0.000 0.452 118 A N 0.272 123.086 122.820 -0.009 0.000 1.933 118 A HA -0.076 4.245 4.320 0.001 0.000 0.218 118 A C 2.274 179.816 177.584 -0.070 0.000 1.175 118 A CA 0.851 52.870 52.037 -0.031 0.000 0.628 118 A CB -0.550 18.449 19.000 -0.001 0.000 0.814 118 A HN 0.239 nan 8.150 nan 0.000 0.444 119 L N -1.581 119.606 121.223 -0.060 0.000 2.509 119 L HA 0.215 4.556 4.340 0.001 0.000 0.222 119 L C 1.534 178.328 176.870 -0.127 0.000 1.123 119 L CA 0.517 55.304 54.840 -0.087 0.000 0.856 119 L CB -0.127 41.903 42.059 -0.048 0.000 0.985 119 L HN 0.568 nan 8.230 nan 0.000 0.456 120 G N 0.960 109.683 108.800 -0.129 0.000 2.171 120 G HA2 -0.237 3.724 3.960 0.001 0.000 0.238 120 G HA3 -0.237 3.724 3.960 0.001 0.000 0.238 120 G C -0.162 174.629 174.900 -0.182 0.000 1.039 120 G CA -0.185 44.828 45.100 -0.145 0.000 0.759 120 G HN 0.198 nan 8.290 nan 0.000 0.501 121 L N -0.399 120.694 121.223 -0.217 0.000 2.333 121 L HA 0.852 5.193 4.340 0.001 0.000 0.269 121 L C 0.993 177.588 176.870 -0.457 0.000 1.010 121 L CA -0.566 54.083 54.840 -0.319 0.000 0.818 121 L CB 1.976 43.837 42.059 -0.329 0.000 1.306 121 L HN 0.235 nan 8.230 nan 0.000 0.430 122 G N 0.233 108.731 108.800 -0.503 0.000 2.932 122 G HA2 0.736 4.697 3.960 0.001 0.000 0.283 122 G HA3 0.736 4.697 3.960 0.001 0.000 0.283 122 G C -1.612 172.827 174.900 -0.768 0.000 1.336 122 G CA -0.395 44.393 45.100 -0.520 0.000 1.056 122 G HN 0.252 nan 8.290 nan 0.000 0.522 123 F N 0.045 119.971 119.950 -0.040 0.000 2.518 123 F HA 0.379 4.906 4.527 0.001 0.000 0.323 123 F C 0.402 176.177 175.800 -0.043 0.000 1.129 123 F CA -0.901 57.082 58.000 -0.028 0.000 0.920 123 F CB 2.167 41.162 39.000 -0.008 0.000 1.160 123 F HN 0.355 nan 8.300 nan 0.000 0.440 124 D N 1.130 121.610 120.400 0.134 0.000 2.430 124 D HA 0.501 5.142 4.640 0.001 0.000 0.285 124 D C -0.059 176.274 176.300 0.055 0.000 1.210 124 D CA -0.224 53.816 54.000 0.068 0.000 1.080 124 D CB 1.248 42.096 40.800 0.080 0.000 1.134 124 D HN 0.615 nan 8.370 nan 0.000 0.562 125 A N 0.616 123.467 122.820 0.052 0.000 2.531 125 A HA 0.157 4.478 4.320 0.001 0.000 0.236 125 A C 0.599 178.228 177.584 0.074 0.000 1.062 125 A CA 0.072 52.112 52.037 0.006 0.000 0.760 125 A CB 0.083 19.160 19.000 0.128 0.000 0.995 125 A HN 0.411 nan 8.150 nan 0.000 0.501 126 M N 2.010 121.620 119.600 0.018 0.000 2.228 126 M HA 0.208 4.688 4.480 0.001 0.000 0.326 126 M C 0.070 176.395 176.300 0.040 0.000 1.122 126 M CA 0.203 55.539 55.300 0.061 0.000 1.161 126 M CB 0.121 32.768 32.600 0.080 0.000 1.437 126 M HN 0.670 nan 8.290 nan 0.000 0.465 127 N N 0.802 119.467 118.700 -0.059 0.000 2.399 127 N HA 0.308 5.049 4.740 0.001 0.000 0.284 127 N C -0.943 174.354 175.510 -0.356 0.000 1.025 127 N CA -0.232 52.662 53.050 -0.261 0.000 0.885 127 N CB 1.898 40.009 38.487 -0.627 0.000 1.339 127 N HN 0.634 nan 8.380 nan 0.000 0.487 128 S N 1.505 117.111 115.700 -0.156 0.000 2.632 128 S HA 0.343 4.814 4.470 0.001 0.000 0.271 128 S C -0.031 174.615 174.600 0.076 0.000 1.260 128 S CA -0.707 57.493 58.200 -0.000 0.000 1.010 128 S CB 1.579 64.795 63.200 0.027 0.000 0.965 128 S HN 0.551 nan 8.310 nan 0.000 0.534 129 N N 0.819 119.600 118.700 0.135 0.000 2.617 129 N HA 0.257 4.998 4.740 0.001 0.000 0.263 129 N C -0.588 174.487 175.510 -0.724 0.000 1.074 129 N CA -0.399 52.349 53.050 -0.504 0.000 0.841 129 N CB 1.268 39.264 38.487 -0.818 0.000 1.221 129 N HN 0.851 nan 8.380 nan 0.000 0.529 130 T N 0.066 114.246 114.554 -0.624 0.000 3.380 130 T HA 0.217 4.568 4.350 0.001 0.000 0.289 130 T C 0.411 174.743 174.700 -0.614 0.000 1.012 130 T CA -0.495 61.103 62.100 -0.836 0.000 0.944 130 T CB -1.178 67.113 68.868 -0.961 0.000 1.172 130 T HN 0.264 nan 8.240 nan 0.000 0.502 131 F N 0.358 120.155 119.950 -0.255 0.000 2.688 131 F HA 0.651 5.178 4.527 0.001 0.000 0.310 131 F C 0.114 175.910 175.800 -0.006 0.000 1.098 131 F CA -1.123 56.776 58.000 -0.168 0.000 1.228 131 F CB -0.193 38.678 39.000 -0.214 0.000 1.042 131 F HN 0.296 nan 8.300 nan 0.000 0.557 132 S N -1.099 114.530 115.700 -0.119 0.000 2.550 132 S HA 0.480 4.951 4.470 0.001 0.000 0.270 132 S C -1.637 172.976 174.600 0.023 0.000 1.145 132 S CA -0.913 57.299 58.200 0.021 0.000 0.852 132 S CB 2.100 65.315 63.200 0.024 0.000 1.119 132 S HN 0.022 nan 8.310 nan 0.000 0.465 133 D N 1.350 121.762 120.400 0.020 0.000 2.210 133 D HA 0.673 5.314 4.640 0.001 0.000 0.249 133 D C 0.089 176.358 176.300 -0.050 0.000 1.078 133 D CA 0.054 54.020 54.000 -0.056 0.000 0.875 133 D CB 1.716 42.463 40.800 -0.088 0.000 1.175 133 D HN 0.846 nan 8.370 nan 0.000 0.440 134 A N 2.985 125.756 122.820 -0.082 0.000 2.281 134 A HA 0.679 5.000 4.320 0.001 0.000 0.329 134 A C -2.380 175.173 177.584 -0.051 0.000 1.122 134 A CA -1.384 50.626 52.037 -0.046 0.000 0.850 134 A CB 0.390 19.359 19.000 -0.051 0.000 1.207 134 A HN 0.318 nan 8.150 nan 0.000 0.495 135 P HA 0.323 nan 4.420 nan 0.000 0.268 135 P C 0.910 178.185 177.300 -0.041 0.000 1.205 135 P CA 1.717 64.801 63.100 -0.027 0.000 0.771 135 P CB 0.627 32.324 31.700 -0.004 0.000 0.858 136 G N 1.035 109.804 108.800 -0.052 0.000 2.168 136 G HA2 -0.316 3.644 3.960 0.001 0.000 0.263 136 G HA3 -0.316 3.644 3.960 0.001 0.000 0.263 136 G C 0.276 175.122 174.900 -0.090 0.000 0.977 136 G CA -0.090 44.974 45.100 -0.061 0.000 0.659 136 G HN 0.647 nan 8.290 nan 0.000 0.533 137 Q N -0.012 119.718 119.800 -0.117 0.000 2.289 137 Q HA 0.570 4.911 4.340 0.001 0.000 0.273 137 Q C 1.728 177.602 176.000 -0.211 0.000 1.029 137 Q CA 0.464 56.166 55.803 -0.168 0.000 0.896 137 Q CB 0.702 29.302 28.738 -0.229 0.000 1.182 137 Q HN 0.643 nan 8.270 nan 0.000 0.385 138 A N 5.049 127.723 122.820 -0.244 0.000 2.015 138 A HA -0.076 4.245 4.320 0.001 0.000 0.219 138 A C 0.118 177.294 177.584 -0.681 0.000 1.163 138 A CA 1.046 52.833 52.037 -0.417 0.000 0.646 138 A CB 0.070 18.817 19.000 -0.422 0.000 0.806 138 A HN 0.762 nan 8.150 nan 0.000 0.448 139 H N -1.060 117.882 119.070 -0.213 0.000 2.679 139 H HA 0.404 4.960 4.556 0.001 0.000 0.360 139 H C -0.837 174.253 175.328 -0.396 0.000 1.105 139 H CA -0.557 55.340 56.048 -0.252 0.000 1.196 139 H CB 1.602 31.217 29.762 -0.246 0.000 1.636 139 H HN 0.187 nan 8.280 nan 0.000 0.531 140 S N 1.462 117.061 115.700 -0.168 0.000 2.584 140 S HA 0.123 4.594 4.470 0.001 0.000 0.273 140 S C 0.062 174.577 174.600 -0.142 0.000 1.311 140 S CA -0.395 57.676 58.200 -0.215 0.000 1.034 140 S CB 0.287 63.441 63.200 -0.076 0.000 0.939 140 S HN 0.448 nan 8.310 nan 0.000 0.513 141 Y N 2.735 123.039 120.300 0.006 0.000 2.493 141 Y HA 0.288 4.839 4.550 0.001 0.000 0.275 141 Y C 1.850 177.766 175.900 0.028 0.000 1.183 141 Y CA -0.440 57.685 58.100 0.041 0.000 1.258 141 Y CB -0.511 37.935 38.460 -0.024 0.000 1.108 141 Y HN 0.739 nan 8.280 nan 0.000 0.521 142 K N 0.092 120.528 120.400 0.059 0.000 2.059 142 K HA -0.234 4.087 4.320 0.001 0.000 0.212 142 K C 0.289 176.732 176.600 -0.262 0.000 1.050 142 K CA 1.997 58.170 56.287 -0.189 0.000 0.927 142 K CB -0.216 32.016 32.500 -0.446 0.000 0.714 142 K HN 0.318 nan 8.250 nan 0.000 0.447 143 Y N -0.272 120.130 120.300 0.170 0.000 2.571 143 Y HA 0.348 4.899 4.550 0.001 0.000 0.275 143 Y C 0.612 176.491 175.900 -0.034 0.000 1.179 143 Y CA 0.158 58.271 58.100 0.022 0.000 1.242 143 Y CB 1.098 39.497 38.460 -0.101 0.000 1.126 143 Y HN 0.314 nan 8.280 nan 0.000 0.524 144 G N -0.712 108.238 108.800 0.251 0.000 2.353 144 G HA2 0.243 4.204 3.960 0.001 0.000 0.424 144 G HA3 0.243 4.204 3.960 0.001 0.000 0.424 144 G C -0.056 175.045 174.900 0.335 0.000 1.320 144 G CA -0.213 45.010 45.100 0.206 0.000 0.995 144 G HN 0.281 nan 8.290 nan 0.000 0.580 145 S N -1.385 114.402 115.700 0.145 0.000 4.585 145 S HA 0.331 4.802 4.470 0.001 0.000 0.155 145 S C 1.962 176.588 174.600 0.044 0.000 0.954 145 S CA 0.594 58.792 58.200 -0.004 0.000 1.213 145 S CB -0.228 62.638 63.200 -0.556 0.000 1.901 145 S HN 0.883 nan 8.310 nan 0.000 0.805 146 L N 2.805 124.017 121.223 -0.018 0.000 2.275 146 L HA 0.087 4.428 4.340 0.001 0.000 0.215 146 L C 2.082 179.007 176.870 0.091 0.000 1.119 146 L CA 1.477 56.321 54.840 0.006 0.000 0.790 146 L CB -0.451 41.577 42.059 -0.052 0.000 0.919 146 L HN 0.720 nan 8.230 nan 0.000 0.443 147 S N -3.405 112.389 115.700 0.156 0.000 2.629 147 S HA 0.054 4.525 4.470 0.001 0.000 0.236 147 S C 0.693 175.384 174.600 0.152 0.000 1.010 147 S CA -0.591 57.712 58.200 0.172 0.000 0.981 147 S CB -0.276 63.047 63.200 0.205 0.000 0.919 147 S HN 0.292 nan 8.310 nan 0.000 0.514 148 H N 2.979 122.096 119.070 0.079 0.000 2.948 148 H HA 0.034 4.591 4.556 0.001 0.000 0.351 148 H C 1.670 177.031 175.328 0.055 0.000 1.079 148 H CA 1.716 57.817 56.048 0.088 0.000 1.407 148 H CB 1.375 31.202 29.762 0.108 0.000 1.373 148 H HN 0.453 nan 8.280 nan 0.000 0.605 149 T N 1.157 115.759 114.554 0.080 0.000 2.833 149 T HA -0.184 4.167 4.350 0.001 0.000 0.269 149 T C 0.993 175.808 174.700 0.192 0.000 1.054 149 T CA 0.816 62.979 62.100 0.104 0.000 1.135 149 T CB -0.108 68.759 68.868 -0.001 0.000 0.869 149 T HN 0.456 nan 8.240 nan 0.000 0.466 150 N N 1.322 120.270 118.700 0.414 0.000 2.420 150 N HA 0.494 5.235 4.740 0.001 0.000 0.262 150 N C 1.134 176.634 175.510 -0.017 0.000 1.144 150 N CA 0.395 53.514 53.050 0.115 0.000 0.952 150 N CB 0.973 39.444 38.487 -0.027 0.000 1.081 150 N HN 0.265 nan 8.380 nan 0.000 0.480 151 A N 4.187 126.986 122.820 -0.035 0.000 1.917 151 A HA -0.184 4.136 4.320 0.001 0.000 0.219 151 A C 2.107 179.620 177.584 -0.119 0.000 1.182 151 A CA 2.056 54.061 52.037 -0.054 0.000 0.633 151 A CB -1.213 17.763 19.000 -0.040 0.000 0.819 151 A HN 0.782 nan 8.150 nan 0.000 0.448 152 A N -1.326 121.368 122.820 -0.211 0.000 1.972 152 A HA -0.074 4.247 4.320 0.001 0.000 0.219 152 A C 2.265 179.587 177.584 -0.436 0.000 1.169 152 A CA 2.246 54.093 52.037 -0.316 0.000 0.635 152 A CB -1.129 17.613 19.000 -0.429 0.000 0.810 152 A HN 0.453 nan 8.150 nan 0.000 0.446 153 T N -0.431 113.810 114.554 -0.521 0.000 2.857 153 T HA -0.088 4.263 4.350 0.001 0.000 0.266 153 T C 2.040 176.703 174.700 -0.060 0.000 1.048 153 T CA 1.305 63.187 62.100 -0.363 0.000 1.139 153 T CB -0.185 68.325 68.868 -0.597 0.000 0.874 153 T HN 0.519 nan 8.240 nan 0.000 0.455 154 R N 1.108 121.578 120.500 -0.050 0.000 2.075 154 R HA 0.101 4.442 4.340 0.001 0.000 0.232 154 R C 2.856 179.156 176.300 0.000 0.000 1.126 154 R CA 1.210 57.316 56.100 0.011 0.000 0.963 154 R CB -0.509 29.797 30.300 0.009 0.000 0.858 154 R HN 0.344 nan 8.270 nan 0.000 0.435 155 A N 1.365 124.171 122.820 -0.025 0.000 1.908 155 A HA -0.256 4.065 4.320 0.001 0.000 0.218 155 A C 2.152 179.749 177.584 0.022 0.000 1.181 155 A CA 1.481 53.511 52.037 -0.013 0.000 0.627 155 A CB -0.539 18.447 19.000 -0.024 0.000 0.818 155 A HN 0.396 nan 8.150 nan 0.000 0.445 156 Q N -0.532 119.297 119.800 0.048 0.000 2.084 156 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 156 Q C 2.165 178.260 176.000 0.157 0.000 0.978 156 Q CA 1.639 57.505 55.803 0.105 0.000 0.844 156 Q CB -0.344 28.474 28.738 0.133 0.000 0.898 156 Q HN 0.597 nan 8.270 nan 0.000 0.426 157 A N -0.028 122.894 122.820 0.170 0.000 1.930 157 A HA -0.109 4.212 4.320 0.001 0.000 0.217 157 A C 2.204 179.825 177.584 0.062 0.000 1.175 157 A CA 1.380 53.481 52.037 0.107 0.000 0.627 157 A CB -0.645 18.335 19.000 -0.034 0.000 0.815 157 A HN 0.306 nan 8.150 nan 0.000 0.443 158 V N 0.095 120.023 119.914 0.023 0.000 2.295 158 V HA -0.242 3.879 4.120 0.001 0.000 0.246 158 V C 2.630 178.721 176.094 -0.005 0.000 1.049 158 V CA 2.426 64.718 62.300 -0.013 0.000 1.024 158 V CB -0.670 31.135 31.823 -0.030 0.000 0.648 158 V HN 0.701 nan 8.190 nan 0.000 0.447 159 E N -0.195 120.017 120.200 0.020 0.000 2.153 159 E HA -0.256 4.095 4.350 0.001 0.000 0.194 159 E C 2.191 178.803 176.600 0.021 0.000 0.988 159 E CA 1.608 58.014 56.400 0.011 0.000 0.811 159 E CB -0.482 29.233 29.700 0.026 0.000 0.746 159 E HN 0.760 nan 8.360 nan 0.000 0.466 160 H N -0.069 118.991 119.070 -0.016 0.000 2.357 160 H HA -0.035 4.522 4.556 0.002 0.000 0.301 160 H C 1.589 176.888 175.328 -0.048 0.000 1.082 160 H CA 1.495 57.529 56.048 -0.024 0.000 1.342 160 H CB 0.126 29.883 29.762 -0.007 0.000 1.389 160 H HN 0.193 nan 8.280 nan 0.000 0.511 161 N N 0.699 119.303 118.700 -0.159 0.000 2.188 161 N HA -0.102 4.639 4.740 0.001 0.000 0.184 161 N C 2.307 177.704 175.510 -0.189 0.000 1.018 161 N CA 0.795 53.724 53.050 -0.201 0.000 0.858 161 N CB 0.030 38.465 38.487 -0.085 0.000 0.989 161 N HN 0.380 nan 8.380 nan 0.000 0.426 162 L N 1.205 122.339 121.223 -0.147 0.000 2.083 162 L HA -0.122 4.219 4.340 0.001 0.000 0.209 162 L C 2.463 179.231 176.870 -0.170 0.000 1.083 162 L CA 1.004 55.751 54.840 -0.154 0.000 0.752 162 L CB -0.356 41.632 42.059 -0.118 0.000 0.899 162 L HN 0.225 nan 8.230 nan 0.000 0.433 163 E N -0.195 119.906 120.200 -0.166 0.000 2.106 163 E HA -0.220 4.131 4.350 0.001 0.000 0.192 163 E C 2.332 178.829 176.600 -0.172 0.000 0.984 163 E CA 1.424 57.734 56.400 -0.150 0.000 0.806 163 E CB 0.031 29.658 29.700 -0.122 0.000 0.750 163 E HN 0.530 nan 8.360 nan 0.000 0.458 164 C N 0.408 119.563 119.300 -0.242 0.000 2.425 164 C HA -0.087 4.374 4.460 0.001 0.000 0.277 164 C C 2.528 177.477 174.990 -0.068 0.000 1.280 164 C CA 0.380 59.291 59.018 -0.178 0.000 1.744 164 C CB -0.820 26.782 27.740 -0.230 0.000 1.989 164 C HN 0.496 nan 8.230 nan 0.000 0.491 165 I N 0.626 121.116 120.570 -0.134 0.000 2.252 165 I HA -0.160 4.011 4.170 0.001 0.000 0.245 165 I C 2.581 178.528 176.117 -0.283 0.000 1.102 165 I CA 1.293 62.425 61.300 -0.280 0.000 1.385 165 I CB -0.530 37.174 38.000 -0.494 0.000 1.064 165 I HN 0.321 nan 8.210 nan 0.000 0.414 166 E N 0.847 120.921 120.200 -0.210 0.000 2.077 166 E HA -0.180 4.171 4.350 0.001 0.000 0.193 166 E C 2.272 178.823 176.600 -0.081 0.000 0.989 166 E CA 1.323 57.630 56.400 -0.156 0.000 0.800 166 E CB -0.207 29.418 29.700 -0.126 0.000 0.746 166 E HN 0.542 nan 8.360 nan 0.000 0.452 167 I N 0.464 120.998 120.570 -0.058 0.000 2.202 167 I HA -0.158 4.013 4.170 0.001 0.000 0.242 167 I C 2.494 178.613 176.117 0.004 0.000 1.091 167 I CA 1.205 62.482 61.300 -0.038 0.000 1.368 167 I CB -0.604 37.366 38.000 -0.050 0.000 1.058 167 I HN 0.106 nan 8.210 nan 0.000 0.410 168 G N 1.071 109.935 108.800 0.106 0.000 2.418 168 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 168 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 168 G C 1.730 176.830 174.900 0.333 0.000 1.158 168 G CA 0.542 45.798 45.100 0.261 0.000 0.771 168 G HN 0.318 nan 8.290 nan 0.000 0.545 169 K N 0.595 121.168 120.400 0.288 0.000 2.057 169 K HA 0.004 4.325 4.320 0.001 0.000 0.207 169 K C 2.874 179.541 176.600 0.112 0.000 1.049 169 K CA 1.061 57.474 56.287 0.210 0.000 0.931 169 K CB -0.220 32.258 32.500 -0.037 0.000 0.714 169 K HN 0.283 nan 8.250 nan 0.000 0.440 170 A N 1.731 124.579 122.820 0.046 0.000 2.066 170 A HA -0.073 4.248 4.320 0.001 0.000 0.218 170 A C 1.982 179.581 177.584 0.025 0.000 1.157 170 A CA 1.024 53.074 52.037 0.022 0.000 0.670 170 A CB -0.563 18.433 19.000 -0.007 0.000 0.804 170 A HN 0.482 nan 8.150 nan 0.000 0.453 171 I N -5.834 114.741 120.570 0.009 0.000 3.956 171 I HA 0.508 4.679 4.170 0.001 0.000 0.333 171 I C 1.100 177.305 176.117 0.146 0.000 1.302 171 I CA 0.666 61.958 61.300 -0.013 0.000 1.122 171 I CB 0.323 38.109 38.000 -0.356 0.000 1.013 171 I HN 0.303 nan 8.210 nan 0.000 0.405 172 G N 1.375 110.258 108.800 0.139 0.000 2.179 172 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 172 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 172 G C 0.307 175.264 174.900 0.095 0.000 0.990 172 G CA 0.204 45.389 45.100 0.142 0.000 0.646 172 G HN 0.517 nan 8.290 nan 0.000 0.517 173 S N -0.229 115.519 115.700 0.080 0.000 2.593 173 S HA 0.617 5.088 4.470 0.001 0.000 0.269 173 S C 0.915 175.233 174.600 -0.471 0.000 1.334 173 S CA 0.211 58.342 58.200 -0.115 0.000 1.015 173 S CB 0.768 63.915 63.200 -0.089 0.000 0.912 173 S HN 0.191 nan 8.310 nan 0.000 0.541 174 K N 1.314 121.182 120.400 -0.887 0.000 2.619 174 K HA 0.467 4.788 4.320 0.001 0.000 0.201 174 K C -0.565 175.019 176.600 -1.693 0.000 1.090 174 K CA -0.030 55.383 56.287 -1.456 0.000 1.063 174 K CB 0.757 32.889 32.500 -0.613 0.000 0.810 174 K HN 0.591 nan 8.250 nan 0.000 0.506 175 A N 0.686 122.510 122.820 -1.660 0.000 2.608 175 A HA 0.673 4.994 4.320 0.001 0.000 0.292 175 A C -2.130 175.151 177.584 -0.505 0.000 1.066 175 A CA -0.733 50.740 52.037 -0.940 0.000 0.676 175 A CB 1.287 19.858 19.000 -0.717 0.000 1.277 175 A HN 0.091 nan 8.150 nan 0.000 0.413 176 L N 0.642 121.754 121.223 -0.185 0.000 2.381 176 L HA 0.777 5.118 4.340 0.001 0.000 0.274 176 L C -0.555 176.320 176.870 0.008 0.000 0.988 176 L CA 0.261 55.118 54.840 0.028 0.000 0.824 176 L CB 2.083 44.235 42.059 0.156 0.000 1.263 176 L HN 0.648 nan 8.230 nan 0.000 0.410 177 T N 4.546 119.160 114.554 0.101 0.000 2.767 177 T HA 0.603 4.954 4.350 0.001 0.000 0.284 177 T C -0.661 174.131 174.700 0.153 0.000 0.973 177 T CA -0.302 61.915 62.100 0.195 0.000 0.996 177 T CB 1.235 70.256 68.868 0.255 0.000 0.927 177 T HN 0.375 nan 8.240 nan 0.000 0.456 178 V N 4.446 124.471 119.914 0.185 0.000 2.326 178 V HA 0.462 4.583 4.120 0.001 0.000 0.281 178 V C -0.932 175.319 176.094 0.262 0.000 1.015 178 V CA -0.999 61.409 62.300 0.180 0.000 0.823 178 V CB 0.915 32.816 31.823 0.130 0.000 1.009 178 V HN 0.913 nan 8.190 nan 0.000 0.436 179 W N 8.266 129.634 121.300 0.112 0.000 2.600 179 W HA 0.828 5.488 4.660 0.001 0.000 0.325 179 W C -0.847 175.753 176.519 0.135 0.000 1.034 179 W CA -0.881 56.524 57.345 0.100 0.000 1.226 179 W CB 1.381 30.884 29.460 0.071 0.000 1.379 179 W HN 0.600 nan 8.180 nan 0.000 0.466 180 I N 2.814 122.827 120.570 -0.928 0.000 2.934 180 I HA 0.788 4.959 4.170 0.001 0.000 0.306 180 I C 0.762 176.120 176.117 -1.266 0.000 1.110 180 I CA -1.171 59.616 61.300 -0.855 0.000 1.019 180 I CB 2.113 39.919 38.000 -0.324 0.000 1.227 180 I HN 0.650 nan 8.210 nan 0.000 0.434 181 G N 1.288 109.574 108.800 -0.858 0.000 2.880 181 G HA2 0.028 3.989 3.960 0.001 0.000 0.209 181 G HA3 0.028 3.989 3.960 0.001 0.000 0.209 181 G C 0.036 174.746 174.900 -0.317 0.000 1.157 181 G CA -0.108 44.634 45.100 -0.598 0.000 0.779 181 G HN 0.742 nan 8.290 nan 0.000 0.539 182 D N 0.924 121.175 120.400 -0.249 0.000 2.877 182 D HA 0.385 5.026 4.640 0.001 0.000 0.220 182 D C 0.904 177.139 176.300 -0.108 0.000 1.089 182 D CA 1.836 55.764 54.000 -0.119 0.000 0.811 182 D CB 0.612 41.374 40.800 -0.063 0.000 1.162 182 D HN 0.404 nan 8.370 nan 0.000 0.513 183 G N 0.126 108.900 108.800 -0.043 0.000 2.325 183 G HA2 0.515 4.476 3.960 0.001 0.000 0.295 183 G HA3 0.515 4.476 3.960 0.001 0.000 0.295 183 G C -1.345 173.591 174.900 0.061 0.000 1.274 183 G CA -0.243 44.849 45.100 -0.013 0.000 0.857 183 G HN 0.697 nan 8.290 nan 0.000 0.499 184 S N -1.240 114.529 115.700 0.114 0.000 2.599 184 S HA 0.674 5.144 4.470 0.001 0.000 0.287 184 S C -0.237 174.475 174.600 0.187 0.000 1.105 184 S CA -0.792 57.527 58.200 0.197 0.000 0.899 184 S CB 2.313 65.698 63.200 0.308 0.000 1.100 184 S HN 0.415 nan 8.310 nan 0.000 0.482 185 N N -0.568 118.207 118.700 0.125 0.000 2.197 185 N HA 0.415 5.156 4.740 0.001 0.000 0.201 185 N C -1.432 173.772 175.510 -0.510 0.000 1.148 185 N CA 0.190 53.156 53.050 -0.140 0.000 0.883 185 N CB 0.090 38.406 38.487 -0.286 0.000 1.012 185 N HN 0.588 nan 8.380 nan 0.000 0.507 186 F N -0.018 119.996 119.950 0.107 0.000 2.578 186 F HA 0.467 4.995 4.527 0.001 0.000 0.311 186 F C -2.271 173.315 175.800 -0.355 0.000 1.094 186 F CA -2.456 55.470 58.000 -0.123 0.000 0.923 186 F CB 1.846 40.810 39.000 -0.061 0.000 1.230 186 F HN -0.301 nan 8.300 nan 0.000 0.450 187 P HA 0.236 nan 4.420 nan 0.000 0.268 187 P C 0.683 177.880 177.300 -0.172 0.000 1.205 187 P CA 1.210 63.967 63.100 -0.573 0.000 0.771 187 P CB 0.799 32.208 31.700 -0.484 0.000 0.858 188 G N 2.125 110.843 108.800 -0.137 0.000 2.320 188 G HA2 -0.373 3.588 3.960 0.001 0.000 0.242 188 G HA3 -0.373 3.588 3.960 0.001 0.000 0.242 188 G C 1.327 176.181 174.900 -0.077 0.000 1.033 188 G CA 0.542 45.571 45.100 -0.118 0.000 0.620 188 G HN 0.569 nan 8.290 nan 0.000 0.517 189 Q N 0.753 120.552 119.800 -0.001 0.000 2.133 189 Q HA 0.012 4.353 4.340 0.001 0.000 0.208 189 Q C 0.994 176.995 176.000 0.000 0.000 0.991 189 Q CA 1.933 57.758 55.803 0.037 0.000 0.867 189 Q CB -0.126 28.713 28.738 0.167 0.000 0.911 189 Q HN 0.581 nan 8.270 nan 0.000 0.417 190 S N 0.512 116.213 115.700 0.001 0.000 2.566 190 S HA 0.306 4.777 4.470 0.001 0.000 0.298 190 S C -0.866 173.642 174.600 -0.153 0.000 1.083 190 S CA -0.925 57.263 58.200 -0.020 0.000 0.978 190 S CB 1.570 64.826 63.200 0.093 0.000 1.073 190 S HN 0.341 nan 8.310 nan 0.000 0.491 191 N N 1.617 120.260 118.700 -0.094 0.000 2.462 191 N HA 0.166 4.907 4.740 0.001 0.000 0.242 191 N C 0.293 175.808 175.510 0.007 0.000 1.010 191 N CA -0.345 52.629 53.050 -0.127 0.000 0.939 191 N CB 0.095 38.553 38.487 -0.050 0.000 1.127 191 N HN 0.379 nan 8.380 nan 0.000 0.509 192 F N 2.107 122.084 119.950 0.045 0.000 2.063 192 F HA -0.198 4.330 4.527 0.001 0.000 0.298 192 F C 2.441 178.278 175.800 0.062 0.000 1.109 192 F CA 1.300 59.318 58.000 0.029 0.000 1.212 192 F CB -1.213 37.787 39.000 0.001 0.000 0.973 192 F HN 0.423 nan 8.300 nan 0.000 0.480 193 T N -0.262 114.452 114.554 0.265 0.000 2.777 193 T HA -0.124 4.227 4.350 0.001 0.000 0.266 193 T C 2.128 176.933 174.700 0.174 0.000 1.040 193 T CA 1.204 63.433 62.100 0.214 0.000 1.141 193 T CB -0.189 68.767 68.868 0.146 0.000 0.868 193 T HN 0.172 nan 8.240 nan 0.000 0.444 194 R N 0.818 121.388 120.500 0.116 0.000 2.092 194 R HA 0.084 4.425 4.340 0.001 0.000 0.231 194 R C 2.792 179.156 176.300 0.106 0.000 1.119 194 R CA 1.138 57.287 56.100 0.081 0.000 0.970 194 R CB -0.391 29.935 30.300 0.043 0.000 0.864 194 R HN 0.342 nan 8.270 nan 0.000 0.440 195 A N 0.764 123.668 122.820 0.139 0.000 1.902 195 A HA -0.189 4.132 4.320 0.001 0.000 0.217 195 A C 1.886 179.611 177.584 0.234 0.000 1.181 195 A CA 1.044 53.174 52.037 0.155 0.000 0.623 195 A CB -0.549 18.541 19.000 0.150 0.000 0.818 195 A HN 0.328 nan 8.150 nan 0.000 0.443 196 F N 1.131 121.117 119.950 0.059 0.000 2.186 196 F HA -0.060 4.468 4.527 0.001 0.000 0.299 196 F C 2.084 177.946 175.800 0.103 0.000 1.090 196 F CA 1.624 59.652 58.000 0.047 0.000 1.307 196 F CB -0.500 38.498 39.000 -0.005 0.000 1.019 196 F HN 0.396 nan 8.300 nan 0.000 0.489 197 E N -0.126 120.084 120.200 0.017 0.000 2.077 197 E HA -0.210 4.141 4.350 0.001 0.000 0.193 197 E C 2.331 178.902 176.600 -0.049 0.000 0.989 197 E CA 1.176 57.514 56.400 -0.102 0.000 0.800 197 E CB -0.199 29.479 29.700 -0.037 0.000 0.746 197 E HN 0.412 nan 8.360 nan 0.000 0.452 198 R N -0.011 120.510 120.500 0.035 0.000 2.081 198 R HA -0.182 4.159 4.340 0.001 0.000 0.235 198 R C 2.368 178.699 176.300 0.053 0.000 1.131 198 R CA 1.505 57.630 56.100 0.041 0.000 0.960 198 R CB -0.486 29.858 30.300 0.074 0.000 0.856 198 R HN 0.290 nan 8.270 nan 0.000 0.436 199 Y N 1.713 122.003 120.300 -0.017 0.000 2.145 199 Y HA -0.194 4.357 4.550 0.001 0.000 0.286 199 Y C 1.988 177.843 175.900 -0.076 0.000 1.145 199 Y CA 1.485 59.582 58.100 -0.006 0.000 1.148 199 Y CB -0.306 38.213 38.460 0.099 0.000 0.981 199 Y HN -0.066 nan 8.280 nan 0.000 0.507 200 L N -0.787 120.410 121.223 -0.042 0.000 2.083 200 L HA -0.239 4.101 4.340 0.001 0.000 0.209 200 L C 2.840 179.589 176.870 -0.203 0.000 1.083 200 L CA 1.649 56.370 54.840 -0.198 0.000 0.752 200 L CB -0.852 41.007 42.059 -0.332 0.000 0.899 200 L HN 0.257 nan 8.230 nan 0.000 0.433 201 S N -0.437 115.172 115.700 -0.152 0.000 2.368 201 S HA -0.159 4.312 4.470 0.001 0.000 0.225 201 S C 2.104 176.628 174.600 -0.128 0.000 1.030 201 S CA 1.232 59.359 58.200 -0.122 0.000 0.999 201 S CB -0.054 63.097 63.200 -0.083 0.000 0.844 201 S HN 0.443 nan 8.310 nan 0.000 0.459 202 A N 1.552 124.281 122.820 -0.151 0.000 1.898 202 A HA 0.055 4.376 4.320 0.001 0.000 0.216 202 A C 2.230 179.695 177.584 -0.198 0.000 1.181 202 A CA 1.385 53.329 52.037 -0.155 0.000 0.620 202 A CB -0.517 18.391 19.000 -0.153 0.000 0.819 202 A HN 0.530 nan 8.150 nan 0.000 0.442 203 M N -0.366 119.045 119.600 -0.314 0.000 2.229 203 M HA -0.062 4.418 4.480 0.001 0.000 0.264 203 M C 2.457 178.686 176.300 -0.118 0.000 1.063 203 M CA 1.352 56.488 55.300 -0.272 0.000 1.114 203 M CB -1.371 30.979 32.600 -0.416 0.000 1.387 203 M HN 0.499 nan 8.290 nan 0.000 0.420 204 A N 0.123 122.864 122.820 -0.131 0.000 1.902 204 A HA -0.177 4.144 4.320 0.001 0.000 0.217 204 A C 2.099 179.674 177.584 -0.015 0.000 1.181 204 A CA 1.641 53.624 52.037 -0.089 0.000 0.623 204 A CB -0.630 18.297 19.000 -0.122 0.000 0.818 204 A HN 0.539 nan 8.150 nan 0.000 0.443 205 E N -0.394 119.779 120.200 -0.046 0.000 2.051 205 E HA -0.153 4.198 4.350 0.001 0.000 0.192 205 E C 1.913 178.500 176.600 -0.023 0.000 0.991 205 E CA 1.242 57.622 56.400 -0.033 0.000 0.799 205 E CB -0.281 29.388 29.700 -0.052 0.000 0.748 205 E HN 0.702 nan 8.360 nan 0.000 0.449 206 I N 0.300 120.850 120.570 -0.034 0.000 2.286 206 I HA -0.293 3.878 4.170 0.001 0.000 0.248 206 I C 2.370 178.481 176.117 -0.010 0.000 1.115 206 I CA 1.069 62.344 61.300 -0.042 0.000 1.392 206 I CB -0.286 37.682 38.000 -0.055 0.000 1.065 206 I HN 0.161 nan 8.210 nan 0.000 0.418 207 Y N 2.074 122.320 120.300 -0.091 0.000 2.256 207 Y HA -0.260 4.291 4.550 0.002 0.000 0.288 207 Y C 2.373 178.228 175.900 -0.076 0.000 1.155 207 Y CA 1.649 59.705 58.100 -0.072 0.000 1.203 207 Y CB -0.148 38.274 38.460 -0.064 0.000 0.980 207 Y HN 0.020 nan 8.280 nan 0.000 0.530 208 K N -0.949 119.512 120.400 0.101 0.000 2.280 208 K HA -0.068 4.253 4.320 0.001 0.000 0.202 208 K C 1.914 178.460 176.600 -0.089 0.000 1.047 208 K CA 0.957 57.257 56.287 0.022 0.000 0.942 208 K CB -0.360 32.150 32.500 0.016 0.000 0.739 208 K HN 0.411 nan 8.250 nan 0.000 0.457 209 G N 0.718 109.440 108.800 -0.130 0.000 3.141 209 G HA2 0.094 4.055 3.960 0.001 0.000 0.218 209 G HA3 0.094 4.055 3.960 0.001 0.000 0.218 209 G C 0.230 174.952 174.900 -0.297 0.000 1.170 209 G CA -0.300 44.685 45.100 -0.193 0.000 0.769 209 G HN 0.021 nan 8.290 nan 0.000 0.546 210 L N 1.365 122.400 121.223 -0.313 0.000 2.331 210 L HA 0.285 4.625 4.340 0.001 0.000 0.278 210 L C -1.960 174.705 176.870 -0.341 0.000 1.106 210 L CA -1.804 52.812 54.840 -0.373 0.000 0.824 210 L CB 1.307 43.150 42.059 -0.359 0.000 1.142 210 L HN -0.087 nan 8.230 nan 0.000 0.443 211 P HA 0.011 nan 4.420 nan 0.000 0.271 211 P C 0.001 177.244 177.300 -0.095 0.000 1.244 211 P CA -0.310 62.624 63.100 -0.277 0.000 0.793 211 P CB 0.575 32.054 31.700 -0.368 0.000 0.984 212 D N 0.275 120.648 120.400 -0.046 0.000 2.218 212 D HA -0.143 4.498 4.640 0.001 0.000 0.204 212 D C 0.784 177.105 176.300 0.034 0.000 0.976 212 D CA 1.421 55.413 54.000 -0.013 0.000 0.853 212 D CB -0.404 40.393 40.800 -0.006 0.000 0.939 212 D HN 0.526 nan 8.370 nan 0.000 0.481 213 D N -1.485 118.974 120.400 0.099 0.000 2.388 213 D HA -0.020 4.621 4.640 0.001 0.000 0.221 213 D C 0.049 176.439 176.300 0.150 0.000 1.133 213 D CA -0.487 53.576 54.000 0.106 0.000 0.831 213 D CB -0.556 40.296 40.800 0.086 0.000 0.962 213 D HN 0.057 nan 8.370 nan 0.000 0.502 214 W N 1.106 122.326 121.300 -0.133 0.000 2.485 214 W HA 0.538 5.199 4.660 0.001 0.000 0.364 214 W C 0.470 176.854 176.519 -0.226 0.000 1.171 214 W CA -0.687 56.552 57.345 -0.177 0.000 1.304 214 W CB 1.157 30.500 29.460 -0.195 0.000 1.335 214 W HN -0.400 nan 8.180 nan 0.000 0.643 215 K N 1.290 121.598 120.400 -0.153 0.000 2.435 215 K HA 0.573 4.894 4.320 0.001 0.000 0.251 215 K C -1.863 174.466 176.600 -0.452 0.000 0.954 215 K CA -1.299 54.789 56.287 -0.332 0.000 0.820 215 K CB 2.451 34.639 32.500 -0.520 0.000 1.292 215 K HN 0.205 nan 8.250 nan 0.000 0.436 216 L N 3.084 124.120 121.223 -0.312 0.000 2.316 216 L HA 0.487 4.828 4.340 0.001 0.000 0.280 216 L C -1.693 175.144 176.870 -0.055 0.000 1.006 216 L CA -0.278 54.461 54.840 -0.168 0.000 0.836 216 L CB 0.415 42.487 42.059 0.021 0.000 1.221 216 L HN 0.366 nan 8.230 nan 0.000 0.418 217 F N 2.730 122.719 119.950 0.065 0.000 2.415 217 F HA 0.591 5.119 4.527 0.001 0.000 0.348 217 F C 0.610 176.456 175.800 0.076 0.000 1.119 217 F CA -0.937 57.091 58.000 0.047 0.000 1.069 217 F CB 1.626 40.620 39.000 -0.011 0.000 1.124 217 F HN 0.532 nan 8.300 nan 0.000 0.472 218 S N 1.494 117.376 115.700 0.304 0.000 2.451 218 S HA 0.498 4.968 4.470 0.001 0.000 0.301 218 S C -0.675 174.051 174.600 0.209 0.000 1.116 218 S CA -0.905 57.454 58.200 0.265 0.000 1.093 218 S CB 1.772 65.155 63.200 0.304 0.000 1.017 218 S HN 0.686 nan 8.310 nan 0.000 0.482 219 E N 3.259 123.583 120.200 0.207 0.000 2.113 219 E HA 0.190 4.541 4.350 0.001 0.000 0.273 219 E C -0.096 176.642 176.600 0.229 0.000 0.924 219 E CA -0.753 55.726 56.400 0.132 0.000 0.764 219 E CB 0.509 30.281 29.700 0.119 0.000 1.104 219 E HN 0.901 nan 8.360 nan 0.000 0.406 220 H N 3.310 122.478 119.070 0.164 0.000 2.551 220 H HA 0.489 5.046 4.556 0.001 0.000 0.358 220 H C -0.842 174.600 175.328 0.190 0.000 1.151 220 H CA -0.704 55.419 56.048 0.126 0.000 1.374 220 H CB 1.326 31.126 29.762 0.063 0.000 1.473 220 H HN 0.376 nan 8.280 nan 0.000 0.574 221 K N 2.962 123.468 120.400 0.178 0.000 2.571 221 K HA 0.101 4.422 4.320 0.001 0.000 0.252 221 K C 0.678 177.252 176.600 -0.043 0.000 0.956 221 K CA -0.604 55.658 56.287 -0.042 0.000 0.822 221 K CB 2.601 34.989 32.500 -0.187 0.000 1.286 221 K HN 0.713 nan 8.250 nan 0.000 0.439 222 M N 3.360 122.936 119.600 -0.040 0.000 2.080 222 M HA -0.121 4.359 4.480 0.001 0.000 0.260 222 M C -0.390 175.985 176.300 0.125 0.000 1.068 222 M CA 1.750 57.090 55.300 0.067 0.000 1.109 222 M CB 0.116 32.836 32.600 0.200 0.000 1.342 222 M HN 0.622 nan 8.290 nan 0.000 0.405 223 Y N -2.455 117.800 120.300 -0.074 0.000 2.713 223 Y HA 0.512 5.063 4.550 0.002 0.000 0.335 223 Y C -1.115 174.725 175.900 -0.100 0.000 1.222 223 Y CA -1.673 56.379 58.100 -0.081 0.000 1.061 223 Y CB 0.327 38.803 38.460 0.026 0.000 1.314 223 Y HN 0.324 nan 8.280 nan 0.000 0.453 224 E N 1.620 121.710 120.200 -0.184 0.000 7.504 224 E HA -0.111 4.240 4.350 0.001 0.000 0.337 224 E C -2.421 174.072 176.600 -0.178 0.000 0.701 224 E CA 0.452 56.675 56.400 -0.295 0.000 1.302 224 E CB 0.151 29.772 29.700 -0.132 0.000 0.927 224 E HN 0.653 nan 8.360 nan 0.000 0.263 225 P HA -0.001 nan 4.420 nan 0.000 0.233 225 P C 0.236 177.012 177.300 -0.872 0.000 1.167 225 P CA 1.074 63.907 63.100 -0.445 0.000 0.770 225 P CB 0.232 31.833 31.700 -0.164 0.000 0.837 226 A N -0.149 122.320 122.820 -0.585 0.000 2.362 226 A HA 0.390 4.711 4.320 0.001 0.000 0.276 226 A C -0.049 177.233 177.584 -0.504 0.000 1.153 226 A CA -0.333 51.436 52.037 -0.448 0.000 0.813 226 A CB -0.366 18.518 19.000 -0.192 0.000 1.081 226 A HN -0.031 nan 8.150 nan 0.000 0.507 227 F N 1.173 121.155 119.950 0.053 0.000 2.653 227 F HA 0.201 4.729 4.527 0.001 0.000 0.304 227 F C 0.922 176.746 175.800 0.039 0.000 1.092 227 F CA 0.085 58.109 58.000 0.040 0.000 1.279 227 F CB -0.116 38.881 39.000 -0.004 0.000 1.044 227 F HN 0.809 nan 8.300 nan 0.000 0.564 228 Y N -0.144 120.188 120.300 0.054 0.000 2.846 228 Y HA 0.356 4.907 4.550 0.002 0.000 0.258 228 Y C 0.530 176.459 175.900 0.049 0.000 1.077 228 Y CA 0.327 58.452 58.100 0.041 0.000 1.270 228 Y CB 0.244 38.722 38.460 0.030 0.000 1.476 228 Y HN -0.149 nan 8.280 nan 0.000 0.460 229 S N -0.073 115.494 115.700 -0.222 0.000 2.564 229 S HA 0.751 5.222 4.470 0.001 0.000 0.274 229 S C -1.072 173.448 174.600 -0.133 0.000 1.124 229 S CA -0.403 57.617 58.200 -0.301 0.000 0.869 229 S CB 2.156 65.232 63.200 -0.206 0.000 1.105 229 S HN 0.116 nan 8.310 nan 0.000 0.472 230 T N 2.301 116.742 114.554 -0.187 0.000 2.886 230 T HA 0.419 4.770 4.350 0.001 0.000 0.292 230 T C 1.207 175.778 174.700 -0.215 0.000 1.012 230 T CA -0.622 61.381 62.100 -0.162 0.000 0.982 230 T CB 1.632 70.414 68.868 -0.143 0.000 1.018 230 T HN 0.515 nan 8.240 nan 0.000 0.451 231 V N 2.787 122.581 119.914 -0.199 0.000 2.233 231 V HA -0.085 4.036 4.120 0.001 0.000 0.247 231 V C 1.303 177.145 176.094 -0.421 0.000 1.050 231 V CA 1.500 63.640 62.300 -0.267 0.000 1.010 231 V CB -0.208 31.491 31.823 -0.206 0.000 0.637 231 V HN 0.726 nan 8.190 nan 0.000 0.444 232 V N 3.144 122.835 119.914 -0.373 0.000 2.174 232 V HA 0.116 4.237 4.120 0.001 0.000 0.259 232 V C 1.312 177.314 176.094 -0.153 0.000 1.261 232 V CA 0.032 62.145 62.300 -0.310 0.000 1.137 232 V CB 0.461 32.149 31.823 -0.226 0.000 1.290 232 V HN 0.635 nan 8.190 nan 0.000 0.486 233 Q N 2.148 121.822 119.800 -0.210 0.000 2.212 233 Q HA -0.014 4.327 4.340 0.001 0.000 0.199 233 Q C 0.199 176.174 176.000 -0.041 0.000 0.950 233 Q CA 1.516 57.241 55.803 -0.130 0.000 0.863 233 Q CB 0.452 29.065 28.738 -0.208 0.000 0.944 233 Q HN 0.771 nan 8.270 nan 0.000 0.465 234 D N -1.955 118.371 120.400 -0.123 0.000 2.664 234 D HA 0.038 4.678 4.640 0.001 0.000 0.292 234 D C 0.904 176.921 176.300 -0.471 0.000 1.214 234 D CA -0.517 53.376 54.000 -0.179 0.000 0.932 234 D CB -0.872 39.860 40.800 -0.113 0.000 1.420 234 D HN 0.149 nan 8.370 nan 0.000 0.471 235 W N 0.574 121.404 121.300 -0.784 0.000 2.392 235 W HA 0.089 4.750 4.660 0.001 0.000 0.279 235 W C 1.027 177.410 176.519 -0.226 0.000 1.225 235 W CA 1.155 58.130 57.345 -0.616 0.000 1.233 235 W CB -1.277 27.955 29.460 -0.380 0.000 1.122 235 W HN 0.445 nan 8.180 nan 0.000 0.561 236 G N 1.467 109.630 108.800 -1.062 0.000 2.404 236 G HA2 -0.245 3.716 3.960 0.001 0.000 0.215 236 G HA3 -0.245 3.716 3.960 0.001 0.000 0.215 236 G C 1.506 176.137 174.900 -0.450 0.000 1.174 236 G CA 1.977 46.481 45.100 -0.994 0.000 0.780 236 G HN 0.291 nan 8.290 nan 0.000 0.537 237 T N 0.914 115.230 114.554 -0.396 0.000 2.821 237 T HA -0.116 4.235 4.350 0.001 0.000 0.267 237 T C 2.343 176.958 174.700 -0.142 0.000 1.046 237 T CA 1.192 63.083 62.100 -0.350 0.000 1.139 237 T CB -0.248 68.296 68.868 -0.540 0.000 0.871 237 T HN 0.219 nan 8.240 nan 0.000 0.454 238 N N 0.553 119.198 118.700 -0.092 0.000 2.120 238 N HA -0.111 4.630 4.740 0.001 0.000 0.188 238 N C 1.589 177.170 175.510 0.119 0.000 1.024 238 N CA 1.173 54.271 53.050 0.081 0.000 0.852 238 N CB -0.470 38.129 38.487 0.187 0.000 1.003 238 N HN 0.478 nan 8.380 nan 0.000 0.424 239 Y N 1.270 121.561 120.300 -0.014 0.000 2.181 239 Y HA -0.080 4.471 4.550 0.001 0.000 0.288 239 Y C 2.158 178.066 175.900 0.013 0.000 1.146 239 Y CA 1.407 59.514 58.100 0.010 0.000 1.164 239 Y CB -0.455 37.950 38.460 -0.093 0.000 0.982 239 Y HN 0.051 nan 8.280 nan 0.000 0.515 240 L N -0.441 120.751 121.223 -0.051 0.000 2.079 240 L HA -0.260 4.081 4.340 0.001 0.000 0.210 240 L C 2.409 179.269 176.870 -0.017 0.000 1.081 240 L CA 1.522 56.337 54.840 -0.041 0.000 0.752 240 L CB -0.598 41.550 42.059 0.148 0.000 0.896 240 L HN 0.296 nan 8.230 nan 0.000 0.433 241 I N -0.177 120.461 120.570 0.113 0.000 2.113 241 I HA -0.283 3.888 4.170 0.001 0.000 0.238 241 I C 2.837 178.963 176.117 0.015 0.000 1.070 241 I CA 1.293 62.684 61.300 0.151 0.000 1.332 241 I CB -0.498 37.688 38.000 0.310 0.000 1.044 241 I HN 0.187 nan 8.210 nan 0.000 0.402 242 A N 0.013 122.827 122.820 -0.009 0.000 1.902 242 A HA -0.297 4.024 4.320 0.001 0.000 0.217 242 A C 2.231 179.734 177.584 -0.134 0.000 1.181 242 A CA 2.001 54.025 52.037 -0.021 0.000 0.623 242 A CB -0.671 18.350 19.000 0.036 0.000 0.818 242 A HN 0.424 nan 8.150 nan 0.000 0.443 243 Q N -0.415 119.188 119.800 -0.329 0.000 2.124 243 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 243 Q C 2.010 177.893 176.000 -0.195 0.000 0.977 243 Q CA 2.436 58.044 55.803 -0.326 0.000 0.850 243 Q CB -0.810 27.580 28.738 -0.580 0.000 0.901 243 Q HN 0.591 nan 8.270 nan 0.000 0.429 244 T N 0.489 114.934 114.554 -0.182 0.000 2.812 244 T HA -0.023 4.327 4.350 0.001 0.000 0.264 244 T C 1.675 176.243 174.700 -0.219 0.000 1.042 244 T CA 1.170 63.170 62.100 -0.166 0.000 1.140 244 T CB -0.166 68.611 68.868 -0.152 0.000 0.870 244 T HN 0.212 nan 8.240 nan 0.000 0.445 245 L N 0.171 121.248 121.223 -0.244 0.000 2.056 245 L HA 0.209 4.550 4.340 0.001 0.000 0.207 245 L C 1.523 177.948 176.870 -0.742 0.000 1.078 245 L CA 0.856 55.420 54.840 -0.461 0.000 0.749 245 L CB -0.690 41.189 42.059 -0.301 0.000 0.901 245 L HN 0.523 nan 8.230 nan 0.000 0.433 246 G N -2.360 106.233 108.800 -0.345 0.000 2.361 246 G HA2 -0.045 3.916 3.960 0.001 0.000 0.331 246 G HA3 -0.045 3.916 3.960 0.001 0.000 0.331 246 G C -2.579 172.395 174.900 0.124 0.000 1.324 246 G CA -0.533 44.469 45.100 -0.163 0.000 0.984 246 G HN -0.233 nan 8.290 nan 0.000 0.586 247 P HA -0.072 nan 4.420 nan 0.000 0.217 247 P C 1.584 179.013 177.300 0.214 0.000 1.151 247 P CA 1.718 64.928 63.100 0.183 0.000 0.849 247 P CB 0.046 31.837 31.700 0.153 0.000 0.787 248 K N -1.179 119.396 120.400 0.293 0.000 2.432 248 K HA 0.171 4.492 4.320 0.001 0.000 0.196 248 K C 0.826 177.541 176.600 0.192 0.000 1.038 248 K CA 0.097 56.469 56.287 0.141 0.000 0.986 248 K CB -0.010 32.393 32.500 -0.161 0.000 0.782 248 K HN 0.087 nan 8.250 nan 0.000 0.485 249 A N 1.772 124.801 122.820 0.349 0.000 2.274 249 A HA 0.315 4.636 4.320 0.001 0.000 0.309 249 A C -0.511 177.216 177.584 0.238 0.000 1.226 249 A CA -0.399 51.804 52.037 0.277 0.000 0.853 249 A CB 0.551 19.711 19.000 0.266 0.000 1.146 249 A HN 0.107 nan 8.150 nan 0.000 0.518 250 Q N 0.386 120.372 119.800 0.310 0.000 2.544 250 Q HA 0.467 4.808 4.340 0.001 0.000 0.291 250 Q C -1.403 174.768 176.000 0.284 0.000 1.068 250 Q CA -0.829 55.158 55.803 0.307 0.000 0.785 250 Q CB 2.211 31.163 28.738 0.356 0.000 1.481 250 Q HN 0.771 nan 8.270 nan 0.000 0.430 251 C N 1.396 120.796 119.300 0.166 0.000 2.350 251 C HA 0.608 5.069 4.460 0.001 0.000 0.348 251 C C -0.149 174.781 174.990 -0.099 0.000 1.260 251 C CA -0.669 58.420 59.018 0.118 0.000 1.966 251 C CB -0.301 27.561 27.740 0.202 0.000 2.380 251 C HN 0.645 nan 8.230 nan 0.000 0.535 252 L N 3.461 124.601 121.223 -0.139 0.000 2.296 252 L HA 0.670 5.011 4.340 0.001 0.000 0.286 252 L C -0.741 175.908 176.870 -0.369 0.000 1.023 252 L CA -0.107 54.497 54.840 -0.395 0.000 0.812 252 L CB 1.032 42.835 42.059 -0.426 0.000 1.223 252 L HN 0.553 nan 8.230 nan 0.000 0.421 253 V N 4.277 123.909 119.914 -0.471 0.000 2.328 253 V HA 0.277 4.398 4.120 0.001 0.000 0.278 253 V C -0.374 175.542 176.094 -0.298 0.000 1.021 253 V CA -0.580 61.526 62.300 -0.324 0.000 0.838 253 V CB 1.159 32.830 31.823 -0.254 0.000 0.999 253 V HN 0.655 nan 8.190 nan 0.000 0.447 254 D N 4.461 124.619 120.400 -0.404 0.000 2.317 254 D HA 0.292 4.933 4.640 0.001 0.000 0.234 254 D C 1.157 177.338 176.300 -0.198 0.000 1.112 254 D CA -0.339 53.409 54.000 -0.421 0.000 0.840 254 D CB 1.667 41.856 40.800 -1.017 0.000 1.078 254 D HN 0.383 nan 8.370 nan 0.000 0.486 255 L N 2.973 124.204 121.223 0.013 0.000 2.089 255 L HA -0.161 4.179 4.340 0.001 0.000 0.213 255 L C 2.105 179.112 176.870 0.227 0.000 1.079 255 L CA 1.657 56.601 54.840 0.174 0.000 0.758 255 L CB -0.384 41.768 42.059 0.154 0.000 0.891 255 L HN 0.478 nan 8.230 nan 0.000 0.433 256 G N -2.423 106.436 108.800 0.099 0.000 3.181 256 G HA2 -0.055 3.906 3.960 0.001 0.000 0.219 256 G HA3 -0.055 3.906 3.960 0.001 0.000 0.219 256 G C 0.795 175.812 174.900 0.195 0.000 1.182 256 G CA -0.237 44.956 45.100 0.155 0.000 0.791 256 G HN 0.542 nan 8.290 nan 0.000 0.537 257 H N -0.093 118.872 119.070 -0.175 0.000 2.507 257 H HA 0.185 4.742 4.556 0.002 0.000 0.294 257 H C -0.050 175.019 175.328 -0.432 0.000 1.064 257 H CA -0.479 55.359 56.048 -0.350 0.000 1.138 257 H CB 0.364 29.853 29.762 -0.455 0.000 1.515 257 H HN 0.348 nan 8.280 nan 0.000 0.547 258 H N -0.087 119.104 119.070 0.202 0.000 2.670 258 H HA 0.430 4.987 4.556 0.001 0.000 0.361 258 H C 0.062 175.496 175.328 0.177 0.000 1.169 258 H CA -0.850 55.315 56.048 0.195 0.000 1.198 258 H CB 1.595 31.457 29.762 0.167 0.000 1.700 258 H HN 0.233 nan 8.280 nan 0.000 0.542 259 A N 2.354 125.342 122.820 0.280 0.000 2.466 259 A HA 0.208 4.529 4.320 0.001 0.000 0.238 259 A C -2.136 175.555 177.584 0.178 0.000 1.074 259 A CA -0.972 51.190 52.037 0.208 0.000 0.774 259 A CB -0.687 18.403 19.000 0.149 0.000 1.015 259 A HN 0.407 nan 8.150 nan 0.000 0.498 260 P HA 0.042 nan 4.420 nan 0.000 0.264 260 P C 0.033 177.384 177.300 0.085 0.000 1.183 260 P CA 0.629 63.796 63.100 0.112 0.000 0.763 260 P CB 0.202 31.959 31.700 0.095 0.000 0.807 261 N N -1.228 117.513 118.700 0.068 0.000 2.863 261 N HA -0.139 4.602 4.740 0.001 0.000 0.245 261 N C -0.388 175.145 175.510 0.038 0.000 1.001 261 N CA 1.183 54.260 53.050 0.046 0.000 0.901 261 N CB -2.284 36.226 38.487 0.039 0.000 1.124 261 N HN 0.389 nan 8.380 nan 0.000 0.582 262 T N 1.647 116.235 114.554 0.056 0.000 2.946 262 T HA -0.036 4.315 4.350 0.001 0.000 0.311 262 T C 0.810 175.492 174.700 -0.031 0.000 1.063 262 T CA -0.041 62.078 62.100 0.033 0.000 1.139 262 T CB 0.589 69.501 68.868 0.075 0.000 0.994 262 T HN 0.152 nan 8.240 nan 0.000 0.547 263 N N 2.921 121.586 118.700 -0.059 0.000 2.482 263 N HA 0.121 4.862 4.740 0.001 0.000 0.242 263 N C 0.981 176.384 175.510 -0.178 0.000 1.100 263 N CA -0.191 52.801 53.050 -0.097 0.000 0.946 263 N CB 0.053 38.490 38.487 -0.083 0.000 1.227 263 N HN 0.547 nan 8.380 nan 0.000 0.508 264 I N 2.012 122.459 120.570 -0.206 0.000 2.286 264 I HA -0.227 3.944 4.170 0.001 0.000 0.245 264 I C 2.234 178.210 176.117 -0.235 0.000 1.104 264 I CA 0.741 61.854 61.300 -0.312 0.000 1.397 264 I CB -0.034 37.788 38.000 -0.297 0.000 1.072 264 I HN 0.532 nan 8.210 nan 0.000 0.417 265 E N 1.575 121.674 120.200 -0.170 0.000 2.209 265 E HA -0.305 4.045 4.350 0.001 0.000 0.196 265 E C 2.097 178.593 176.600 -0.174 0.000 0.993 265 E CA 1.458 57.769 56.400 -0.147 0.000 0.819 265 E CB -0.669 28.939 29.700 -0.153 0.000 0.745 265 E HN 0.588 nan 8.360 nan 0.000 0.477 266 M N 0.751 120.229 119.600 -0.204 0.000 2.200 266 M HA -0.041 4.440 4.480 0.001 0.000 0.265 266 M C 2.254 178.334 176.300 -0.368 0.000 1.066 266 M CA 1.162 56.324 55.300 -0.229 0.000 1.127 266 M CB -0.033 32.452 32.600 -0.193 0.000 1.379 266 M HN 0.009 nan 8.290 nan 0.000 0.420 267 I N -0.313 119.961 120.570 -0.493 0.000 2.208 267 I HA -0.277 3.893 4.170 0.001 0.000 0.245 267 I C 2.224 178.026 176.117 -0.525 0.000 1.097 267 I CA 1.065 61.871 61.300 -0.823 0.000 1.363 267 I CB -0.451 37.081 38.000 -0.780 0.000 1.051 267 I HN 0.152 nan 8.210 nan 0.000 0.413 268 V N 1.048 120.796 119.914 -0.277 0.000 2.287 268 V HA -0.326 3.795 4.120 0.001 0.000 0.248 268 V C 2.713 178.738 176.094 -0.116 0.000 1.053 268 V CA 2.099 64.328 62.300 -0.118 0.000 1.027 268 V CB -0.985 30.881 31.823 0.072 0.000 0.646 268 V HN 0.514 nan 8.190 nan 0.000 0.447 269 A N -0.317 122.414 122.820 -0.148 0.000 1.902 269 A HA -0.194 4.127 4.320 0.001 0.000 0.217 269 A C 2.366 179.881 177.584 -0.114 0.000 1.181 269 A CA 1.464 53.425 52.037 -0.127 0.000 0.623 269 A CB -0.441 18.484 19.000 -0.126 0.000 0.818 269 A HN 0.411 nan 8.150 nan 0.000 0.443 270 R N -0.414 119.977 120.500 -0.183 0.000 2.073 270 R HA -0.045 4.296 4.340 0.001 0.000 0.234 270 R C 2.120 178.466 176.300 0.077 0.000 1.134 270 R CA 1.326 57.373 56.100 -0.088 0.000 0.952 270 R CB -1.022 29.044 30.300 -0.389 0.000 0.850 270 R HN 0.580 nan 8.270 nan 0.000 0.433 271 L N 0.406 121.613 121.223 -0.027 0.000 2.083 271 L HA -0.151 4.190 4.340 0.001 0.000 0.209 271 L C 2.477 179.434 176.870 0.144 0.000 1.083 271 L CA 1.103 56.024 54.840 0.135 0.000 0.752 271 L CB -0.374 41.729 42.059 0.073 0.000 0.899 271 L HN 0.126 nan 8.230 nan 0.000 0.433 272 I N -0.700 119.888 120.570 0.030 0.000 2.252 272 I HA -0.313 3.858 4.170 0.001 0.000 0.245 272 I C 2.692 178.762 176.117 -0.078 0.000 1.102 272 I CA 1.205 62.466 61.300 -0.064 0.000 1.385 272 I CB -0.271 37.578 38.000 -0.252 0.000 1.064 272 I HN 0.381 nan 8.210 nan 0.000 0.414 273 Q N 0.826 120.593 119.800 -0.055 0.000 2.135 273 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 273 Q C 1.388 177.214 176.000 -0.291 0.000 0.981 273 Q CA 1.794 57.493 55.803 -0.173 0.000 0.856 273 Q CB 0.039 28.683 28.738 -0.156 0.000 0.902 273 Q HN 0.463 nan 8.270 nan 0.000 0.425 274 F N -0.646 119.321 119.950 0.028 0.000 2.639 274 F HA 0.311 4.839 4.527 0.001 0.000 0.300 274 F C 1.162 177.062 175.800 0.167 0.000 1.109 274 F CA 0.288 58.352 58.000 0.108 0.000 1.335 274 F CB 0.710 39.783 39.000 0.121 0.000 1.014 274 F HN 0.163 nan 8.300 nan 0.000 0.537 275 G N 0.992 109.910 108.800 0.197 0.000 2.341 275 G HA2 -0.326 3.634 3.960 0.001 0.000 0.292 275 G HA3 -0.326 3.634 3.960 0.001 0.000 0.292 275 G C 0.943 175.993 174.900 0.249 0.000 1.021 275 G CA 0.251 45.468 45.100 0.194 0.000 0.905 275 G HN 0.248 nan 8.290 nan 0.000 0.508 276 K N -0.912 119.659 120.400 0.285 0.000 2.564 276 K HA 0.267 4.587 4.320 0.001 0.000 0.205 276 K C 0.445 177.159 176.600 0.191 0.000 1.053 276 K CA -0.573 55.875 56.287 0.268 0.000 1.072 276 K CB 0.681 33.395 32.500 0.357 0.000 0.822 276 K HN 0.381 nan 8.250 nan 0.000 0.497 277 L N 1.099 122.415 121.223 0.154 0.000 2.302 277 L HA 0.304 4.645 4.340 0.001 0.000 0.285 277 L C 1.129 177.958 176.870 -0.069 0.000 1.090 277 L CA 0.189 55.040 54.840 0.018 0.000 0.866 277 L CB 0.719 42.830 42.059 0.087 0.000 1.244 277 L HN 0.221 nan 8.230 nan 0.000 0.435 278 G N 2.933 111.605 108.800 -0.213 0.000 2.396 278 G HA2 0.403 4.364 3.960 0.001 0.000 0.214 278 G HA3 0.403 4.364 3.960 0.001 0.000 0.214 278 G C 0.538 174.913 174.900 -0.874 0.000 1.166 278 G CA 0.678 45.508 45.100 -0.450 0.000 0.793 278 G HN 0.930 nan 8.290 nan 0.000 0.533 279 G N -1.951 106.307 108.800 -0.902 0.000 2.428 279 G HA2 0.485 4.446 3.960 0.001 0.000 0.304 279 G HA3 0.485 4.446 3.960 0.001 0.000 0.304 279 G C -1.953 172.451 174.900 -0.826 0.000 1.303 279 G CA -0.995 43.631 45.100 -0.790 0.000 0.825 279 G HN 0.040 nan 8.290 nan 0.000 0.484 280 F N -0.439 119.242 119.950 -0.449 0.000 2.577 280 F HA 0.592 5.119 4.527 0.001 0.000 0.318 280 F C 0.107 175.681 175.800 -0.377 0.000 1.065 280 F CA -0.565 57.105 58.000 -0.550 0.000 0.929 280 F CB 2.636 41.029 39.000 -1.012 0.000 1.237 280 F HN 0.361 nan 8.300 nan 0.000 0.468 281 H N 2.263 121.151 119.070 -0.304 0.000 2.792 281 H HA 0.333 4.890 4.556 0.001 0.000 0.298 281 H C -1.180 174.029 175.328 -0.199 0.000 1.042 281 H CA -0.755 55.186 56.048 -0.178 0.000 1.300 281 H CB 0.959 30.616 29.762 -0.174 0.000 1.431 281 H HN 0.337 nan 8.280 nan 0.000 0.496 282 F N 3.248 123.320 119.950 0.204 0.000 2.384 282 F HA 0.175 4.703 4.527 0.001 0.000 0.338 282 F C 0.557 176.412 175.800 0.091 0.000 1.103 282 F CA -0.214 57.871 58.000 0.142 0.000 1.157 282 F CB 0.971 40.060 39.000 0.149 0.000 1.167 282 F HN 0.712 nan 8.300 nan 0.000 0.529 283 N N -0.546 118.328 118.700 0.290 0.000 3.717 283 N HA 0.304 5.045 4.740 0.001 0.000 0.239 283 N C -2.225 173.383 175.510 0.162 0.000 1.388 283 N CA -0.978 52.180 53.050 0.179 0.000 0.828 283 N CB 0.919 39.471 38.487 0.108 0.000 1.468 283 N HN 0.309 nan 8.380 nan 0.000 0.445 284 D N -1.571 118.904 120.400 0.123 0.000 2.531 284 D HA 0.820 5.460 4.640 0.001 0.000 0.244 284 D C -1.232 175.124 176.300 0.094 0.000 1.090 284 D CA -0.065 54.002 54.000 0.110 0.000 0.989 284 D CB 2.091 42.951 40.800 0.100 0.000 1.433 284 D HN 0.820 nan 8.370 nan 0.000 0.492 285 S N -0.349 115.398 115.700 0.078 0.000 2.595 285 S HA 0.394 4.865 4.470 0.001 0.000 0.270 285 S C -0.091 174.510 174.600 0.002 0.000 1.145 285 S CA -0.783 57.458 58.200 0.068 0.000 0.825 285 S CB 2.409 65.667 63.200 0.096 0.000 1.107 285 S HN 0.472 nan 8.310 nan 0.000 0.461 286 K N -0.881 119.472 120.400 -0.078 0.000 2.504 286 K HA 0.335 4.656 4.320 0.001 0.000 0.203 286 K C 0.174 176.481 176.600 -0.490 0.000 1.350 286 K CA 0.020 56.100 56.287 -0.345 0.000 0.953 286 K CB 0.169 32.318 32.500 -0.584 0.000 1.243 286 K HN 0.671 nan 8.250 nan 0.000 0.534 287 Y N -0.626 119.735 120.300 0.103 0.000 2.583 287 Y HA 0.396 4.947 4.550 0.001 0.000 0.270 287 Y C 1.456 177.451 175.900 0.159 0.000 1.113 287 Y CA 0.330 58.500 58.100 0.117 0.000 1.307 287 Y CB 0.161 38.685 38.460 0.108 0.000 1.369 287 Y HN 0.086 nan 8.280 nan 0.000 0.506 288 G N -0.978 108.021 108.800 0.331 0.000 3.259 288 G HA2 0.180 4.140 3.960 0.001 0.000 0.178 288 G HA3 0.180 4.140 3.960 0.001 0.000 0.178 288 G C -1.291 173.698 174.900 0.149 0.000 1.129 288 G CA -0.323 44.946 45.100 0.282 0.000 0.816 288 G HN -0.028 nan 8.290 nan 0.000 0.634 289 D N 0.637 121.057 120.400 0.033 0.000 2.688 289 D HA 0.207 4.848 4.640 0.001 0.000 0.228 289 D C 0.546 176.881 176.300 0.057 0.000 1.116 289 D CA -0.309 53.704 54.000 0.022 0.000 1.023 289 D CB -0.042 40.689 40.800 -0.115 0.000 1.100 289 D HN 0.147 nan 8.370 nan 0.000 0.487 290 D N 1.073 121.536 120.400 0.105 0.000 2.264 290 D HA -0.136 4.505 4.640 0.001 0.000 0.208 290 D C 0.325 176.671 176.300 0.076 0.000 0.966 290 D CA 0.513 54.582 54.000 0.115 0.000 0.864 290 D CB -0.015 40.879 40.800 0.156 0.000 0.933 290 D HN 0.437 nan 8.370 nan 0.000 0.499 291 D N -0.128 120.309 120.400 0.061 0.000 2.723 291 D HA -0.178 4.463 4.640 0.001 0.000 0.236 291 D C -0.042 176.268 176.300 0.017 0.000 1.138 291 D CA 0.377 54.395 54.000 0.031 0.000 0.676 291 D CB -1.225 39.576 40.800 0.001 0.000 1.069 291 D HN 0.318 nan 8.370 nan 0.000 0.430 292 L N 0.092 121.350 121.223 0.058 0.000 2.454 292 L HA 0.229 4.570 4.340 0.001 0.000 0.256 292 L C 0.928 177.852 176.870 0.091 0.000 1.136 292 L CA -0.719 54.163 54.840 0.071 0.000 0.804 292 L CB 0.427 42.540 42.059 0.089 0.000 1.181 292 L HN -0.194 nan 8.230 nan 0.000 0.469 293 D N 1.423 121.894 120.400 0.118 0.000 2.531 293 D HA 0.177 4.818 4.640 0.001 0.000 0.239 293 D C 0.201 176.566 176.300 0.109 0.000 1.144 293 D CA 0.278 54.357 54.000 0.132 0.000 0.869 293 D CB 0.545 41.415 40.800 0.117 0.000 1.160 293 D HN 0.596 nan 8.370 nan 0.000 0.484 294 A N 2.360 125.250 122.820 0.117 0.000 2.584 294 A HA 0.402 4.723 4.320 0.001 0.000 0.239 294 A C 1.719 179.354 177.584 0.084 0.000 1.043 294 A CA 0.512 52.620 52.037 0.117 0.000 0.756 294 A CB -0.365 18.704 19.000 0.115 0.000 0.963 294 A HN 1.024 nan 8.150 nan 0.000 0.511 295 G N 1.073 109.931 108.800 0.097 0.000 2.189 295 G HA2 -0.093 3.867 3.960 0.001 0.000 0.267 295 G HA3 -0.093 3.867 3.960 0.001 0.000 0.267 295 G C 1.176 176.124 174.900 0.079 0.000 0.975 295 G CA 1.218 46.372 45.100 0.090 0.000 0.644 295 G HN 2.097 nan 8.290 nan 0.000 0.537 296 A N -0.520 122.344 122.820 0.073 0.000 2.119 296 A HA 0.416 4.737 4.320 0.001 0.000 0.217 296 A C 2.180 179.801 177.584 0.062 0.000 1.153 296 A CA 1.876 53.951 52.037 0.063 0.000 0.692 296 A CB -0.162 18.878 19.000 0.066 0.000 0.799 296 A HN 0.536 nan 8.150 nan 0.000 0.458 297 I N -1.644 118.965 120.570 0.066 0.000 3.366 297 I HA 0.153 4.324 4.170 0.001 0.000 0.267 297 I C 0.328 176.480 176.117 0.057 0.000 1.149 297 I CA 0.720 62.051 61.300 0.051 0.000 1.436 297 I CB -0.758 37.264 38.000 0.037 0.000 1.379 297 I HN 0.215 nan 8.210 nan 0.000 0.460 298 E N 2.415 122.659 120.200 0.075 0.000 3.108 298 E HA 0.192 4.543 4.350 0.001 0.000 0.228 298 E C -1.806 174.868 176.600 0.124 0.000 1.176 298 E CA -1.397 55.056 56.400 0.090 0.000 0.881 298 E CB 1.789 31.530 29.700 0.069 0.000 1.354 298 E HN 0.123 nan 8.360 nan 0.000 0.400 299 P HA -0.209 nan 4.420 nan 0.000 0.220 299 P C 1.179 178.637 177.300 0.263 0.000 1.148 299 P CA 0.957 64.194 63.100 0.228 0.000 0.803 299 P CB 0.264 32.125 31.700 0.267 0.000 0.782 300 Y N 2.021 122.289 120.300 -0.052 0.000 2.163 300 Y HA -0.119 4.432 4.550 0.001 0.000 0.288 300 Y C 2.915 178.767 175.900 -0.081 0.000 1.136 300 Y CA 1.285 59.153 58.100 -0.387 0.000 1.147 300 Y CB -0.949 37.229 38.460 -0.469 0.000 0.987 300 Y HN -0.217 nan 8.280 nan 0.000 0.509 301 R N -0.225 120.265 120.500 -0.018 0.000 2.103 301 R HA -0.211 4.130 4.340 0.001 0.000 0.242 301 R C 2.190 178.475 176.300 -0.025 0.000 1.142 301 R CA 1.871 57.930 56.100 -0.070 0.000 0.960 301 R CB -0.723 29.578 30.300 0.003 0.000 0.858 301 R HN 0.422 nan 8.270 nan 0.000 0.439 302 L N 0.460 121.730 121.223 0.079 0.000 2.083 302 L HA -0.112 4.229 4.340 0.001 0.000 0.209 302 L C 2.013 179.005 176.870 0.202 0.000 1.083 302 L CA 1.670 56.600 54.840 0.150 0.000 0.752 302 L CB -0.723 41.441 42.059 0.175 0.000 0.899 302 L HN 0.297 nan 8.230 nan 0.000 0.433 303 F N -0.461 119.502 119.950 0.020 0.000 2.134 303 F HA -0.173 4.354 4.527 0.001 0.000 0.299 303 F C 1.940 177.699 175.800 -0.068 0.000 1.097 303 F CA 1.619 59.634 58.000 0.025 0.000 1.264 303 F CB -0.304 38.711 39.000 0.024 0.000 1.001 303 F HN 0.040 nan 8.300 nan 0.000 0.479 304 L N -0.503 120.507 121.223 -0.354 0.000 2.201 304 L HA -0.159 4.182 4.340 0.001 0.000 0.212 304 L C 2.326 179.000 176.870 -0.326 0.000 1.105 304 L CA 0.567 55.121 54.840 -0.477 0.000 0.775 304 L CB -0.737 41.074 42.059 -0.414 0.000 0.913 304 L HN 0.083 nan 8.230 nan 0.000 0.440 305 V N -0.708 119.074 119.914 -0.219 0.000 2.379 305 V HA -0.243 3.878 4.120 0.001 0.000 0.245 305 V C 2.196 178.106 176.094 -0.306 0.000 1.044 305 V CA 1.719 63.886 62.300 -0.221 0.000 1.036 305 V CB -0.479 31.212 31.823 -0.220 0.000 0.664 305 V HN 0.220 nan 8.190 nan 0.000 0.453 306 F N 0.912 120.723 119.950 -0.232 0.000 2.293 306 F HA -0.125 4.403 4.527 0.001 0.000 0.300 306 F C 2.280 177.935 175.800 -0.241 0.000 1.086 306 F CA 1.721 59.603 58.000 -0.196 0.000 1.375 306 F CB -0.591 38.285 39.000 -0.207 0.000 1.045 306 F HN 0.249 nan 8.300 nan 0.000 0.516 307 N N 0.317 118.833 118.700 -0.306 0.000 2.166 307 N HA -0.186 4.555 4.740 0.001 0.000 0.186 307 N C 1.710 177.121 175.510 -0.166 0.000 1.019 307 N CA 1.469 54.310 53.050 -0.350 0.000 0.856 307 N CB -0.096 38.053 38.487 -0.564 0.000 0.993 307 N HN 0.068 nan 8.380 nan 0.000 0.426 308 E N 0.183 120.295 120.200 -0.147 0.000 2.107 308 E HA -0.058 4.293 4.350 0.001 0.000 0.191 308 E C 2.078 178.675 176.600 -0.005 0.000 0.982 308 E CA 0.482 56.832 56.400 -0.083 0.000 0.809 308 E CB -0.239 29.413 29.700 -0.079 0.000 0.756 308 E HN 0.488 nan 8.360 nan 0.000 0.459 309 L N 0.215 121.471 121.223 0.054 0.000 2.056 309 L HA -0.123 4.218 4.340 0.001 0.000 0.207 309 L C 2.453 179.473 176.870 0.250 0.000 1.078 309 L CA 0.678 55.663 54.840 0.242 0.000 0.749 309 L CB -0.390 41.812 42.059 0.237 0.000 0.901 309 L HN -0.021 nan 8.230 nan 0.000 0.433 310 V N -0.254 119.756 119.914 0.159 0.000 2.453 310 V HA -0.262 3.858 4.120 0.001 0.000 0.247 310 V C 2.126 178.253 176.094 0.054 0.000 1.048 310 V CA 1.917 64.291 62.300 0.124 0.000 1.049 310 V CB -0.419 31.430 31.823 0.044 0.000 0.672 310 V HN 0.442 nan 8.190 nan 0.000 0.457 311 D N 0.509 120.911 120.400 0.002 0.000 2.149 311 D HA -0.156 4.485 4.640 0.001 0.000 0.198 311 D C 2.112 178.385 176.300 -0.045 0.000 0.990 311 D CA 1.451 55.433 54.000 -0.029 0.000 0.839 311 D CB -0.082 40.685 40.800 -0.055 0.000 0.948 311 D HN 0.369 nan 8.370 nan 0.000 0.460 312 A N 0.449 123.229 122.820 -0.068 0.000 1.883 312 A HA -0.240 4.081 4.320 0.001 0.000 0.217 312 A C 2.183 179.718 177.584 -0.080 0.000 1.186 312 A CA 1.965 53.896 52.037 -0.177 0.000 0.624 312 A CB -0.875 17.857 19.000 -0.446 0.000 0.822 312 A HN 0.456 nan 8.150 nan 0.000 0.444 313 E N -0.152 120.075 120.200 0.044 0.000 2.077 313 E HA -0.112 4.239 4.350 0.001 0.000 0.193 313 E C 2.090 178.710 176.600 0.034 0.000 0.989 313 E CA 1.108 57.558 56.400 0.084 0.000 0.800 313 E CB -0.299 29.490 29.700 0.149 0.000 0.746 313 E HN 0.515 nan 8.360 nan 0.000 0.452 314 A N 1.053 123.883 122.820 0.018 0.000 1.933 314 A HA -0.147 4.174 4.320 0.001 0.000 0.218 314 A C 2.170 179.745 177.584 -0.014 0.000 1.175 314 A CA 1.486 53.523 52.037 0.002 0.000 0.628 314 A CB -0.427 18.570 19.000 -0.006 0.000 0.814 314 A HN 0.176 nan 8.150 nan 0.000 0.444 315 R N -1.555 118.925 120.500 -0.034 0.000 2.276 315 R HA 0.152 4.493 4.340 0.001 0.000 0.203 315 R C 1.142 177.417 176.300 -0.042 0.000 1.017 315 R CA 0.633 56.705 56.100 -0.047 0.000 1.010 315 R CB -0.141 30.114 30.300 -0.075 0.000 0.900 315 R HN 0.737 nan 8.270 nan 0.000 0.469 316 G N 0.620 109.403 108.800 -0.028 0.000 2.171 316 G HA2 -0.224 3.737 3.960 0.001 0.000 0.238 316 G HA3 -0.224 3.737 3.960 0.001 0.000 0.238 316 G C -0.036 174.849 174.900 -0.026 0.000 1.039 316 G CA -0.078 45.014 45.100 -0.014 0.000 0.759 316 G HN 0.124 nan 8.290 nan 0.000 0.501 317 V N 0.091 119.969 119.914 -0.060 0.000 2.599 317 V HA 0.283 4.403 4.120 0.001 0.000 0.300 317 V C 0.993 177.089 176.094 0.002 0.000 1.034 317 V CA 0.159 62.410 62.300 -0.083 0.000 1.115 317 V CB 1.095 32.773 31.823 -0.243 0.000 0.934 317 V HN 0.356 nan 8.190 nan 0.000 0.485 318 K N 3.043 123.457 120.400 0.023 0.000 2.185 318 K HA 0.533 4.854 4.320 0.001 0.000 0.271 318 K C 0.987 177.656 176.600 0.115 0.000 1.013 318 K CA 0.608 56.934 56.287 0.066 0.000 0.943 318 K CB 0.831 33.366 32.500 0.058 0.000 0.998 318 K HN 1.000 nan 8.250 nan 0.000 0.468 319 G N 2.392 111.275 108.800 0.139 0.000 2.356 319 G HA2 -0.276 3.685 3.960 0.001 0.000 0.296 319 G HA3 -0.276 3.685 3.960 0.001 0.000 0.296 319 G C -0.488 174.520 174.900 0.179 0.000 1.022 319 G CA 0.143 45.387 45.100 0.240 0.000 0.961 319 G HN 0.425 nan 8.290 nan 0.000 0.510 320 F N 1.777 121.568 119.950 -0.265 0.000 2.334 320 F HA 0.593 5.121 4.527 0.001 0.000 0.365 320 F C 0.300 175.847 175.800 -0.421 0.000 1.124 320 F CA -1.924 55.950 58.000 -0.210 0.000 1.166 320 F CB 0.352 39.285 39.000 -0.112 0.000 1.355 320 F HN 0.234 nan 8.300 nan 0.000 0.532 321 H N 5.393 124.308 119.070 -0.259 0.000 2.380 321 H HA 0.294 4.851 4.556 0.001 0.000 0.231 321 H C -2.362 172.746 175.328 -0.366 0.000 1.415 321 H CA -1.796 54.079 56.048 -0.288 0.000 1.433 321 H CB -0.136 29.571 29.762 -0.091 0.000 1.544 321 H HN 0.384 nan 8.280 nan 0.000 0.503 322 P HA 0.186 nan 4.420 nan 0.000 0.271 322 P C -0.122 176.869 177.300 -0.514 0.000 1.216 322 P CA -0.337 62.460 63.100 -0.504 0.000 0.776 322 P CB 1.172 32.545 31.700 -0.546 0.000 0.881 323 A N 3.238 125.814 122.820 -0.407 0.000 2.363 323 A HA 0.318 4.639 4.320 0.001 0.000 0.270 323 A C -0.395 177.008 177.584 -0.302 0.000 1.121 323 A CA -0.337 51.539 52.037 -0.268 0.000 0.800 323 A CB -0.370 18.585 19.000 -0.075 0.000 1.052 323 A HN 0.672 nan 8.150 nan 0.000 0.493 324 H N 1.155 120.293 119.070 0.114 0.000 2.511 324 H HA 0.612 5.169 4.556 0.001 0.000 0.328 324 H C -0.563 174.917 175.328 0.253 0.000 1.044 324 H CA -0.153 56.062 56.048 0.279 0.000 1.212 324 H CB 1.438 31.399 29.762 0.332 0.000 1.428 324 H HN 0.670 nan 8.280 nan 0.000 0.483 325 M N 2.725 122.571 119.600 0.410 0.000 2.484 325 M HA 0.420 4.901 4.480 0.001 0.000 0.289 325 M C -1.002 175.477 176.300 0.299 0.000 1.206 325 M CA -0.336 55.140 55.300 0.293 0.000 0.892 325 M CB 2.565 35.315 32.600 0.250 0.000 1.712 325 M HN 0.398 nan 8.290 nan 0.000 0.462 326 I N 1.295 121.962 120.570 0.162 0.000 2.353 326 I HA 0.342 4.513 4.170 0.001 0.000 0.293 326 I C -0.701 175.377 176.117 -0.065 0.000 0.992 326 I CA -0.192 61.186 61.300 0.131 0.000 1.268 326 I CB 1.178 39.237 38.000 0.099 0.000 1.387 326 I HN 0.599 nan 8.210 nan 0.000 0.478 327 D N 6.741 127.110 120.400 -0.052 0.000 2.375 327 D HA 0.352 4.993 4.640 0.001 0.000 0.259 327 D C -0.897 175.418 176.300 0.025 0.000 1.235 327 D CA -0.219 53.744 54.000 -0.062 0.000 0.924 327 D CB 0.748 41.394 40.800 -0.257 0.000 1.143 327 D HN 0.469 nan 8.370 nan 0.000 0.529 328 Q N 0.639 120.435 119.800 -0.007 0.000 2.528 328 Q HA 0.879 5.219 4.340 0.001 0.000 0.289 328 Q C -1.248 174.588 176.000 -0.274 0.000 1.091 328 Q CA -1.390 54.350 55.803 -0.105 0.000 0.797 328 Q CB 2.448 31.134 28.738 -0.087 0.000 1.466 328 Q HN 0.399 nan 8.270 nan 0.000 0.436 329 A N 0.859 123.444 122.820 -0.392 0.000 2.343 329 A HA 0.637 4.958 4.320 0.001 0.000 0.308 329 A C -1.714 175.557 177.584 -0.522 0.000 1.092 329 A CA -0.587 51.240 52.037 -0.350 0.000 0.751 329 A CB 0.422 19.372 19.000 -0.084 0.000 1.203 329 A HN 0.777 nan 8.150 nan 0.000 0.452 330 H N 2.470 121.579 119.070 0.065 0.000 2.691 330 H HA 0.296 4.853 4.556 0.002 0.000 0.281 330 H C 0.202 175.577 175.328 0.078 0.000 1.121 330 H CA -0.767 55.318 56.048 0.061 0.000 1.254 330 H CB 0.792 30.577 29.762 0.038 0.000 1.390 330 H HN 0.624 nan 8.280 nan 0.000 0.491 331 N N 1.880 120.664 118.700 0.141 0.000 2.392 331 N HA -0.035 4.705 4.740 0.001 0.000 0.177 331 N C 0.844 176.456 175.510 0.169 0.000 1.066 331 N CA 0.576 53.721 53.050 0.159 0.000 0.895 331 N CB 1.071 39.653 38.487 0.158 0.000 0.988 331 N HN 0.488 nan 8.380 nan 0.000 0.457 332 V N -2.574 117.423 119.914 0.137 0.000 3.172 332 V HA 0.434 4.555 4.120 0.001 0.000 0.343 332 V C 0.003 176.148 176.094 0.085 0.000 1.429 332 V CA -0.286 62.072 62.300 0.097 0.000 1.149 332 V CB -0.149 31.713 31.823 0.065 0.000 1.106 332 V HN 0.142 nan 8.190 nan 0.000 0.526 333 T N -3.833 110.784 114.554 0.106 0.000 2.787 333 T HA 0.478 4.829 4.350 0.001 0.000 0.297 333 T C -1.354 173.391 174.700 0.075 0.000 1.221 333 T CA -0.296 61.852 62.100 0.080 0.000 1.006 333 T CB 2.104 71.014 68.868 0.070 0.000 1.328 333 T HN 0.147 nan 8.240 nan 0.000 0.509 334 D N 1.303 121.731 120.400 0.047 0.000 2.339 334 D HA 0.278 4.919 4.640 0.001 0.000 0.256 334 D C -1.531 174.727 176.300 -0.069 0.000 1.214 334 D CA -2.015 52.009 54.000 0.039 0.000 0.877 334 D CB 1.365 42.221 40.800 0.093 0.000 1.111 334 D HN 0.107 nan 8.370 nan 0.000 0.478 335 P HA -0.169 nan 4.420 nan 0.000 0.216 335 P C 1.653 178.719 177.300 -0.390 0.000 1.154 335 P CA 1.121 64.053 63.100 -0.280 0.000 0.865 335 P CB 0.240 31.906 31.700 -0.057 0.000 0.789 336 I N -0.632 119.778 120.570 -0.267 0.000 2.226 336 I HA -0.239 3.932 4.170 0.001 0.000 0.245 336 I C 2.239 178.078 176.117 -0.465 0.000 1.100 336 I CA 1.569 62.645 61.300 -0.373 0.000 1.374 336 I CB -0.658 37.074 38.000 -0.447 0.000 1.057 336 I HN 0.045 nan 8.210 nan 0.000 0.413 337 E N 0.332 120.270 120.200 -0.438 0.000 2.106 337 E HA -0.149 4.202 4.350 0.001 0.000 0.192 337 E C 2.352 178.819 176.600 -0.222 0.000 0.984 337 E CA 1.305 57.512 56.400 -0.322 0.000 0.806 337 E CB -0.067 29.533 29.700 -0.166 0.000 0.750 337 E HN 0.336 nan 8.360 nan 0.000 0.458 338 S N 0.975 116.526 115.700 -0.248 0.000 2.368 338 S HA -0.066 4.405 4.470 0.001 0.000 0.224 338 S C 2.028 176.507 174.600 -0.202 0.000 1.029 338 S CA 0.671 58.752 58.200 -0.198 0.000 0.988 338 S CB -0.101 62.976 63.200 -0.206 0.000 0.838 338 S HN 0.163 nan 8.310 nan 0.000 0.462 339 L N 0.904 121.930 121.223 -0.329 0.000 2.083 339 L HA -0.088 4.253 4.340 0.001 0.000 0.209 339 L C 2.155 178.948 176.870 -0.127 0.000 1.083 339 L CA 0.988 55.714 54.840 -0.190 0.000 0.752 339 L CB -0.511 41.418 42.059 -0.217 0.000 0.899 339 L HN 0.310 nan 8.230 nan 0.000 0.433 340 I N 0.046 120.516 120.570 -0.167 0.000 2.099 340 I HA -0.324 3.847 4.170 0.001 0.000 0.239 340 I C 2.105 178.174 176.117 -0.081 0.000 1.066 340 I CA 1.404 62.627 61.300 -0.129 0.000 1.324 340 I CB -0.345 37.553 38.000 -0.169 0.000 1.037 340 I HN 0.341 nan 8.210 nan 0.000 0.401 341 N N 0.320 118.974 118.700 -0.077 0.000 2.381 341 N HA -0.096 4.645 4.740 0.001 0.000 0.182 341 N C 1.929 177.423 175.510 -0.028 0.000 1.025 341 N CA 0.995 54.018 53.050 -0.045 0.000 0.888 341 N CB -0.153 38.314 38.487 -0.034 0.000 0.965 341 N HN 0.209 nan 8.380 nan 0.000 0.438 342 S N 0.392 116.081 115.700 -0.018 0.000 2.371 342 S HA 0.041 4.511 4.470 0.001 0.000 0.224 342 S C 2.058 176.651 174.600 -0.012 0.000 1.029 342 S CA 0.853 59.059 58.200 0.010 0.000 0.978 342 S CB -0.199 63.035 63.200 0.057 0.000 0.833 342 S HN 0.467 nan 8.310 nan 0.000 0.466 343 A N 2.315 125.126 122.820 -0.015 0.000 1.933 343 A HA -0.148 4.173 4.320 0.001 0.000 0.218 343 A C 1.845 179.406 177.584 -0.037 0.000 1.175 343 A CA 1.569 53.600 52.037 -0.010 0.000 0.628 343 A CB -0.811 18.189 19.000 0.000 0.000 0.814 343 A HN 0.612 nan 8.150 nan 0.000 0.444 344 N N -0.646 118.028 118.700 -0.043 0.000 2.120 344 N HA -0.141 4.600 4.740 0.001 0.000 0.188 344 N C 1.607 177.064 175.510 -0.088 0.000 1.024 344 N CA 1.066 54.083 53.050 -0.055 0.000 0.852 344 N CB -0.115 38.346 38.487 -0.043 0.000 1.003 344 N HN 0.363 nan 8.380 nan 0.000 0.424 345 E N 1.117 121.271 120.200 -0.077 0.000 2.110 345 E HA -0.103 4.248 4.350 0.001 0.000 0.193 345 E C 2.021 178.517 176.600 -0.173 0.000 0.988 345 E CA 0.623 56.971 56.400 -0.086 0.000 0.804 345 E CB -0.102 29.578 29.700 -0.033 0.000 0.745 345 E HN 0.473 nan 8.360 nan 0.000 0.458 346 I N 0.372 120.807 120.570 -0.224 0.000 2.252 346 I HA -0.243 3.928 4.170 0.001 0.000 0.245 346 I C 2.588 178.302 176.117 -0.671 0.000 1.102 346 I CA 0.964 62.003 61.300 -0.435 0.000 1.385 346 I CB -0.199 37.582 38.000 -0.364 0.000 1.064 346 I HN -0.017 nan 8.210 nan 0.000 0.414 347 R N 0.228 120.474 120.500 -0.423 0.000 2.115 347 R HA -0.142 4.199 4.340 0.001 0.000 0.230 347 R C 2.444 178.534 176.300 -0.349 0.000 1.111 347 R CA 0.998 56.847 56.100 -0.418 0.000 0.976 347 R CB -0.272 29.937 30.300 -0.152 0.000 0.870 347 R HN 0.312 nan 8.270 nan 0.000 0.445 348 R N 0.538 120.880 120.500 -0.263 0.000 2.073 348 R HA -0.130 4.211 4.340 0.001 0.000 0.234 348 R C 2.107 178.284 176.300 -0.206 0.000 1.134 348 R CA 1.683 57.669 56.100 -0.190 0.000 0.952 348 R CB -0.235 29.989 30.300 -0.126 0.000 0.850 348 R HN 0.195 nan 8.270 nan 0.000 0.433 349 A N -0.077 122.584 122.820 -0.265 0.000 1.933 349 A HA -0.210 4.110 4.320 0.001 0.000 0.218 349 A C 1.992 179.344 177.584 -0.385 0.000 1.175 349 A CA 1.285 53.225 52.037 -0.162 0.000 0.628 349 A CB -0.806 18.123 19.000 -0.118 0.000 0.814 349 A HN 0.630 nan 8.150 nan 0.000 0.444 350 Y N 0.729 120.370 120.300 -1.099 0.000 2.145 350 Y HA -0.069 4.482 4.550 0.001 0.000 0.286 350 Y C 2.620 178.239 175.900 -0.470 0.000 1.145 350 Y CA 1.197 58.630 58.100 -1.112 0.000 1.148 350 Y CB -0.722 36.767 38.460 -1.619 0.000 0.981 350 Y HN 0.293 nan 8.280 nan 0.000 0.507 351 A N 0.366 122.904 122.820 -0.469 0.000 1.883 351 A HA -0.273 4.048 4.320 0.001 0.000 0.217 351 A C 2.109 179.554 177.584 -0.232 0.000 1.186 351 A CA 2.092 53.907 52.037 -0.370 0.000 0.624 351 A CB -0.838 18.038 19.000 -0.207 0.000 0.822 351 A HN 0.692 nan 8.150 nan 0.000 0.444 352 Q N -0.679 119.063 119.800 -0.097 0.000 2.124 352 Q HA -0.064 4.277 4.340 0.001 0.000 0.202 352 Q C 2.353 178.501 176.000 0.245 0.000 0.977 352 Q CA 1.298 57.143 55.803 0.070 0.000 0.850 352 Q CB -0.406 28.405 28.738 0.121 0.000 0.901 352 Q HN 0.688 nan 8.270 nan 0.000 0.429 353 A N 0.878 123.795 122.820 0.162 0.000 1.972 353 A HA -0.132 4.189 4.320 0.001 0.000 0.219 353 A C 1.999 179.542 177.584 -0.068 0.000 1.169 353 A CA 0.991 53.040 52.037 0.020 0.000 0.635 353 A CB -0.541 18.378 19.000 -0.135 0.000 0.810 353 A HN 0.297 nan 8.150 nan 0.000 0.446 354 L N -0.714 120.385 121.223 -0.207 0.000 2.291 354 L HA -0.067 4.274 4.340 0.001 0.000 0.214 354 L C 2.020 178.832 176.870 -0.097 0.000 1.120 354 L CA 0.501 55.215 54.840 -0.209 0.000 0.799 354 L CB -0.364 41.487 42.059 -0.347 0.000 0.925 354 L HN 0.365 nan 8.230 nan 0.000 0.446 355 L N -0.798 120.395 121.223 -0.050 0.000 2.478 355 L HA 0.020 4.361 4.340 0.001 0.000 0.223 355 L C 0.791 177.677 176.870 0.026 0.000 1.140 355 L CA -0.253 54.575 54.840 -0.019 0.000 0.842 355 L CB -0.160 41.886 42.059 -0.022 0.000 0.953 355 L HN -0.041 nan 8.230 nan 0.000 0.452 356 V N 1.279 121.234 119.914 0.069 0.000 2.557 356 V HA -0.126 3.995 4.120 0.001 0.000 0.301 356 V C 0.516 176.639 176.094 0.048 0.000 1.026 356 V CA 0.132 62.488 62.300 0.093 0.000 1.137 356 V CB 0.518 32.410 31.823 0.113 0.000 0.917 356 V HN 0.154 nan 8.190 nan 0.000 0.484 357 D N 5.570 126.003 120.400 0.055 0.000 2.416 357 D HA 0.071 4.712 4.640 0.001 0.000 0.240 357 D C 1.379 177.696 176.300 0.028 0.000 1.250 357 D CA -0.249 53.771 54.000 0.032 0.000 0.967 357 D CB 0.463 41.286 40.800 0.039 0.000 1.059 357 D HN 0.378 nan 8.370 nan 0.000 0.512 358 R N 2.760 123.267 120.500 0.012 0.000 2.120 358 R HA -0.118 4.223 4.340 0.001 0.000 0.234 358 R C 1.788 178.078 176.300 -0.017 0.000 1.123 358 R CA 1.079 57.180 56.100 0.003 0.000 0.975 358 R CB -0.654 29.643 30.300 -0.005 0.000 0.866 358 R HN 0.458 nan 8.270 nan 0.000 0.446 359 A N 1.515 124.318 122.820 -0.029 0.000 1.858 359 A HA -0.065 4.256 4.320 0.001 0.000 0.216 359 A C 2.453 179.976 177.584 -0.102 0.000 1.190 359 A CA 1.846 53.850 52.037 -0.056 0.000 0.617 359 A CB -0.645 18.324 19.000 -0.052 0.000 0.827 359 A HN 0.340 nan 8.150 nan 0.000 0.443 360 A N -0.709 122.048 122.820 -0.105 0.000 1.902 360 A HA -0.025 4.296 4.320 0.001 0.000 0.217 360 A C 2.142 179.591 177.584 -0.225 0.000 1.181 360 A CA 1.745 53.646 52.037 -0.228 0.000 0.623 360 A CB -0.626 18.326 19.000 -0.079 0.000 0.818 360 A HN 0.643 nan 8.150 nan 0.000 0.443 361 L N 0.941 122.163 121.223 -0.002 0.000 2.017 361 L HA -0.165 4.176 4.340 0.001 0.000 0.208 361 L C 2.815 179.705 176.870 0.033 0.000 1.073 361 L CA 2.877 57.774 54.840 0.096 0.000 0.745 361 L CB -0.734 41.378 42.059 0.088 0.000 0.894 361 L HN 0.519 nan 8.230 nan 0.000 0.432 362 S N -1.181 114.506 115.700 -0.022 0.000 2.399 362 S HA -0.104 4.367 4.470 0.001 0.000 0.231 362 S C 2.101 176.670 174.600 -0.051 0.000 1.022 362 S CA 0.862 59.045 58.200 -0.027 0.000 0.983 362 S CB -1.587 61.591 63.200 -0.037 0.000 0.803 362 S HN 0.505 nan 8.310 nan 0.000 0.480 363 G N 0.323 109.042 108.800 -0.134 0.000 2.404 363 G HA2 -0.102 3.858 3.960 0.001 0.000 0.215 363 G HA3 -0.102 3.858 3.960 0.001 0.000 0.215 363 G C 1.184 176.017 174.900 -0.112 0.000 1.174 363 G CA 0.783 45.774 45.100 -0.182 0.000 0.780 363 G HN 0.569 nan 8.290 nan 0.000 0.537 364 Y N 0.948 121.250 120.300 0.002 0.000 2.293 364 Y HA -0.020 4.530 4.550 0.001 0.000 0.291 364 Y C 3.069 178.971 175.900 0.003 0.000 1.137 364 Y CA 0.979 59.082 58.100 0.004 0.000 1.202 364 Y CB -0.456 38.010 38.460 0.008 0.000 0.990 364 Y HN 0.291 nan 8.280 nan 0.000 0.537 365 Q N -0.321 119.562 119.800 0.139 0.000 2.083 365 Q HA -0.149 4.191 4.340 0.001 0.000 0.198 365 Q C 2.013 178.043 176.000 0.050 0.000 0.969 365 Q CA 1.146 56.996 55.803 0.079 0.000 0.838 365 Q CB -0.031 28.735 28.738 0.047 0.000 0.900 365 Q HN 0.364 nan 8.270 nan 0.000 0.436 366 E N 0.957 121.176 120.200 0.032 0.000 2.110 366 E HA -0.143 4.208 4.350 0.001 0.000 0.193 366 E C 1.068 177.685 176.600 0.028 0.000 0.988 366 E CA 0.977 57.388 56.400 0.018 0.000 0.804 366 E CB -0.061 29.638 29.700 -0.002 0.000 0.745 366 E HN 0.334 nan 8.360 nan 0.000 0.458 367 D N 0.280 120.709 120.400 0.048 0.000 2.336 367 D HA -0.004 4.637 4.640 0.001 0.000 0.229 367 D C -0.289 176.048 176.300 0.061 0.000 1.061 367 D CA -0.002 54.032 54.000 0.056 0.000 0.875 367 D CB -0.419 40.428 40.800 0.079 0.000 0.904 367 D HN 0.160 nan 8.370 nan 0.000 0.525 368 N N 1.288 120.023 118.700 0.059 0.000 2.727 368 N HA -0.192 4.549 4.740 0.001 0.000 0.249 368 N C -0.616 174.922 175.510 0.047 0.000 1.048 368 N CA 0.424 53.502 53.050 0.046 0.000 0.714 368 N CB -0.627 37.877 38.487 0.029 0.000 0.959 368 N HN 0.095 nan 8.380 nan 0.000 0.544 369 D N -0.001 120.444 120.400 0.076 0.000 2.563 369 D HA 0.419 5.060 4.640 0.001 0.000 0.222 369 D C 1.161 177.450 176.300 -0.018 0.000 1.145 369 D CA 0.333 54.354 54.000 0.034 0.000 1.001 369 D CB 0.039 40.890 40.800 0.086 0.000 1.049 369 D HN 0.388 nan 8.370 nan 0.000 0.515 370 A N 3.345 126.158 122.820 -0.012 0.000 1.917 370 A HA -0.214 4.107 4.320 0.001 0.000 0.219 370 A C 2.106 179.659 177.584 -0.051 0.000 1.182 370 A CA 1.167 53.194 52.037 -0.017 0.000 0.633 370 A CB -0.561 18.435 19.000 -0.007 0.000 0.819 370 A HN 0.600 nan 8.150 nan 0.000 0.448 371 L N -1.382 119.795 121.223 -0.077 0.000 1.994 371 L HA -0.184 4.157 4.340 0.001 0.000 0.208 371 L C 2.497 179.263 176.870 -0.173 0.000 1.071 371 L CA 1.875 56.656 54.840 -0.098 0.000 0.745 371 L CB -0.222 41.783 42.059 -0.089 0.000 0.892 371 L HN 0.297 nan 8.230 nan 0.000 0.431 372 M N -0.699 118.706 119.600 -0.325 0.000 2.296 372 M HA -0.074 4.407 4.480 0.001 0.000 0.265 372 M C 2.352 178.342 176.300 -0.516 0.000 1.064 372 M CA 1.428 56.357 55.300 -0.618 0.000 1.109 372 M CB -1.473 30.322 32.600 -1.342 0.000 1.396 372 M HN 0.469 nan 8.290 nan 0.000 0.430 373 A N -0.645 122.022 122.820 -0.254 0.000 1.873 373 A HA -0.140 4.181 4.320 0.001 0.000 0.215 373 A C 2.394 179.997 177.584 0.031 0.000 1.186 373 A CA 2.277 54.319 52.037 0.009 0.000 0.616 373 A CB -1.103 17.936 19.000 0.065 0.000 0.823 373 A HN 0.409 nan 8.150 nan 0.000 0.442 374 T N -0.948 113.609 114.554 0.004 0.000 2.821 374 T HA -0.118 4.233 4.350 0.001 0.000 0.267 374 T C 1.923 176.653 174.700 0.050 0.000 1.046 374 T CA 1.802 63.933 62.100 0.052 0.000 1.139 374 T CB -0.213 68.679 68.868 0.040 0.000 0.871 374 T HN 0.603 nan 8.240 nan 0.000 0.454 375 E N 0.441 120.630 120.200 -0.018 0.000 2.150 375 E HA -0.075 4.276 4.350 0.001 0.000 0.193 375 E C 2.118 178.732 176.600 0.023 0.000 0.985 375 E CA 1.532 57.919 56.400 -0.021 0.000 0.814 375 E CB -0.606 29.049 29.700 -0.076 0.000 0.752 375 E HN 0.385 nan 8.360 nan 0.000 0.466 376 T N 0.587 115.170 114.554 0.048 0.000 2.788 376 T HA -0.100 4.251 4.350 0.001 0.000 0.268 376 T C 1.445 176.233 174.700 0.146 0.000 1.044 376 T CA 1.057 63.228 62.100 0.118 0.000 1.139 376 T CB -0.186 68.803 68.868 0.203 0.000 0.867 376 T HN 0.073 nan 8.240 nan 0.000 0.454 377 L N 0.922 122.254 121.223 0.182 0.000 2.056 377 L HA 0.062 4.403 4.340 0.001 0.000 0.207 377 L C 2.376 179.393 176.870 0.246 0.000 1.078 377 L CA 1.604 56.630 54.840 0.309 0.000 0.749 377 L CB -0.538 41.741 42.059 0.367 0.000 0.901 377 L HN -0.005 nan 8.230 nan 0.000 0.433 378 K N -0.309 120.182 120.400 0.152 0.000 2.097 378 K HA -0.104 4.217 4.320 0.001 0.000 0.206 378 K C 2.170 178.773 176.600 0.005 0.000 1.049 378 K CA 1.056 57.377 56.287 0.057 0.000 0.933 378 K CB -0.286 32.212 32.500 -0.003 0.000 0.717 378 K HN 0.310 nan 8.250 nan 0.000 0.442 379 R N 0.162 120.672 120.500 0.018 0.000 2.152 379 R HA -0.085 4.256 4.340 0.001 0.000 0.232 379 R C 2.209 178.492 176.300 -0.028 0.000 1.117 379 R CA 1.238 57.332 56.100 -0.011 0.000 0.981 379 R CB -0.197 30.109 30.300 0.011 0.000 0.870 379 R HN 0.168 nan 8.270 nan 0.000 0.451 380 A N 0.003 122.829 122.820 0.010 0.000 1.878 380 A HA -0.146 4.175 4.320 0.001 0.000 0.213 380 A C 1.895 179.400 177.584 -0.131 0.000 1.192 380 A CA 0.657 52.697 52.037 0.003 0.000 0.619 380 A CB -0.655 18.442 19.000 0.161 0.000 0.837 380 A HN 0.394 nan 8.150 nan 0.000 0.446 381 Y N 0.735 120.752 120.300 -0.471 0.000 2.224 381 Y HA -0.159 4.392 4.550 0.001 0.000 0.289 381 Y C 2.295 177.978 175.900 -0.361 0.000 1.146 381 Y CA 1.939 59.612 58.100 -0.712 0.000 1.182 381 Y CB -0.284 37.574 38.460 -1.004 0.000 0.983 381 Y HN 0.237 nan 8.280 nan 0.000 0.524 382 R N -0.234 120.037 120.500 -0.380 0.000 2.235 382 R HA -0.006 4.335 4.340 0.001 0.000 0.213 382 R C 0.336 176.446 176.300 -0.316 0.000 1.059 382 R CA 0.866 56.736 56.100 -0.383 0.000 0.997 382 R CB -0.272 29.905 30.300 -0.205 0.000 0.884 382 R HN 0.129 nan 8.270 nan 0.000 0.462 383 T N 1.199 115.596 114.554 -0.261 0.000 2.834 383 T HA -0.041 4.310 4.350 0.001 0.000 0.298 383 T C -0.262 174.308 174.700 -0.216 0.000 0.966 383 T CA -0.151 61.830 62.100 -0.198 0.000 1.141 383 T CB 0.875 69.653 68.868 -0.150 0.000 0.905 383 T HN 0.011 nan 8.240 nan 0.000 0.535 384 D N 3.534 123.826 120.400 -0.180 0.000 2.383 384 D HA 0.067 4.708 4.640 0.001 0.000 0.245 384 D C 1.159 177.379 176.300 -0.133 0.000 1.263 384 D CA -0.687 53.217 54.000 -0.160 0.000 0.936 384 D CB 0.287 41.010 40.800 -0.129 0.000 1.053 384 D HN 0.357 nan 8.370 nan 0.000 0.507 385 V N 1.614 121.448 119.914 -0.134 0.000 3.620 385 V HA 0.090 4.211 4.120 0.001 0.000 0.286 385 V C 1.727 177.776 176.094 -0.074 0.000 1.288 385 V CA 0.102 62.336 62.300 -0.110 0.000 1.178 385 V CB -0.109 31.643 31.823 -0.118 0.000 0.986 385 V HN 0.267 nan 8.190 nan 0.000 0.431 386 E N 2.592 122.751 120.200 -0.069 0.000 2.097 386 E HA -0.123 4.228 4.350 0.001 0.000 0.196 386 E C -0.146 176.454 176.600 -0.000 0.000 1.000 386 E CA 2.313 58.689 56.400 -0.040 0.000 0.804 386 E CB -1.454 28.220 29.700 -0.042 0.000 0.740 386 E HN 0.506 nan 8.360 nan 0.000 0.454 387 P HA -0.095 nan 4.420 nan 0.000 0.217 387 P C 1.238 178.660 177.300 0.203 0.000 1.150 387 P CA 1.239 64.401 63.100 0.104 0.000 0.832 387 P CB -0.018 31.734 31.700 0.087 0.000 0.787 388 I N -1.756 118.883 120.570 0.115 0.000 2.202 388 I HA -0.213 3.958 4.170 0.001 0.000 0.242 388 I C 1.898 178.077 176.117 0.102 0.000 1.091 388 I CA 1.135 62.529 61.300 0.157 0.000 1.368 388 I CB -0.602 37.411 38.000 0.023 0.000 1.058 388 I HN -0.107 nan 8.210 nan 0.000 0.410 389 L N 0.769 122.014 121.223 0.037 0.000 2.046 389 L HA -0.171 4.170 4.340 0.001 0.000 0.208 389 L C 2.691 179.575 176.870 0.024 0.000 1.077 389 L CA 2.143 56.993 54.840 0.016 0.000 0.747 389 L CB -1.326 40.724 42.059 -0.015 0.000 0.896 389 L HN 0.201 nan 8.230 nan 0.000 0.432 390 A N -0.803 122.034 122.820 0.028 0.000 1.902 390 A HA -0.228 4.092 4.320 0.001 0.000 0.217 390 A C 2.320 179.904 177.584 0.000 0.000 1.181 390 A CA 1.727 53.773 52.037 0.015 0.000 0.623 390 A CB -0.488 18.522 19.000 0.017 0.000 0.818 390 A HN 0.411 nan 8.150 nan 0.000 0.443 391 E N 0.420 120.623 120.200 0.005 0.000 2.106 391 E HA 0.003 4.354 4.350 0.001 0.000 0.192 391 E C 1.934 178.508 176.600 -0.044 0.000 0.984 391 E CA 1.496 57.845 56.400 -0.085 0.000 0.806 391 E CB -0.517 29.037 29.700 -0.243 0.000 0.750 391 E HN 0.429 nan 8.360 nan 0.000 0.458 392 A N 0.937 123.765 122.820 0.013 0.000 1.940 392 A HA -0.189 4.132 4.320 0.001 0.000 0.219 392 A C 2.246 179.844 177.584 0.023 0.000 1.176 392 A CA 1.679 53.732 52.037 0.027 0.000 0.631 392 A CB -0.465 18.563 19.000 0.047 0.000 0.814 392 A HN 0.226 nan 8.150 nan 0.000 0.446 393 R N -1.142 119.368 120.500 0.017 0.000 2.066 393 R HA -0.075 4.265 4.340 0.001 0.000 0.232 393 R C 2.547 178.849 176.300 0.002 0.000 1.131 393 R CA 1.277 57.387 56.100 0.017 0.000 0.955 393 R CB -0.376 29.931 30.300 0.011 0.000 0.851 393 R HN 0.550 nan 8.270 nan 0.000 0.432 394 R N 1.358 121.848 120.500 -0.017 0.000 2.096 394 R HA -0.170 4.171 4.340 0.001 0.000 0.240 394 R C 2.140 178.424 176.300 -0.027 0.000 1.139 394 R CA 1.768 57.849 56.100 -0.031 0.000 0.952 394 R CB -0.072 30.194 30.300 -0.057 0.000 0.854 394 R HN 0.178 nan 8.270 nan 0.000 0.436 395 R N -0.663 119.819 120.500 -0.029 0.000 2.148 395 R HA -0.054 4.286 4.340 0.001 0.000 0.227 395 R C 1.773 178.077 176.300 0.006 0.000 1.103 395 R CA 1.703 57.792 56.100 -0.019 0.000 0.983 395 R CB -0.091 30.198 30.300 -0.020 0.000 0.874 395 R HN 0.388 nan 8.270 nan 0.000 0.451 396 T N -3.333 111.233 114.554 0.020 0.000 3.145 396 T HA 0.298 4.649 4.350 0.001 0.000 0.255 396 T C 1.116 175.838 174.700 0.036 0.000 1.039 396 T CA 0.222 62.346 62.100 0.039 0.000 0.928 396 T CB 1.025 69.933 68.868 0.067 0.000 1.029 396 T HN 0.361 nan 8.240 nan 0.000 0.554 397 G N 0.038 108.851 108.800 0.021 0.000 2.141 397 G HA2 -0.042 3.919 3.960 0.001 0.000 0.231 397 G HA3 -0.042 3.919 3.960 0.001 0.000 0.231 397 G C 0.425 175.336 174.900 0.018 0.000 0.984 397 G CA -0.278 44.834 45.100 0.020 0.000 0.660 397 G HN 1.000 nan 8.290 nan 0.000 0.525 398 G N -0.548 108.261 108.800 0.015 0.000 2.531 398 G HA2 0.836 4.797 3.960 0.001 0.000 0.281 398 G HA3 0.836 4.797 3.960 0.001 0.000 0.281 398 G C 0.178 175.077 174.900 -0.001 0.000 1.382 398 G CA 0.171 45.278 45.100 0.012 0.000 1.045 398 G HN 1.526 nan 8.290 nan 0.000 0.533 399 A N -1.228 121.592 122.820 0.000 0.000 2.317 399 A HA 0.563 4.884 4.320 0.001 0.000 0.327 399 A C 1.153 178.734 177.584 -0.004 0.000 1.178 399 A CA -0.507 51.528 52.037 -0.003 0.000 0.817 399 A CB 1.619 20.622 19.000 0.004 0.000 1.189 399 A HN 0.668 nan 8.150 nan 0.000 0.489 400 V N 1.345 121.253 119.914 -0.009 0.000 2.332 400 V HA -0.126 3.995 4.120 0.001 0.000 0.248 400 V C 0.846 176.937 176.094 -0.004 0.000 1.055 400 V CA 2.464 64.759 62.300 -0.009 0.000 1.038 400 V CB -0.307 31.509 31.823 -0.013 0.000 0.651 400 V HN 0.892 nan 8.190 nan 0.000 0.450 401 D N -1.535 118.865 120.400 -0.001 0.000 2.408 401 D HA 0.245 4.886 4.640 0.001 0.000 0.261 401 D C -1.950 174.356 176.300 0.010 0.000 1.190 401 D CA -2.092 51.910 54.000 0.003 0.000 0.910 401 D CB 1.941 42.744 40.800 0.005 0.000 1.097 401 D HN 0.052 nan 8.370 nan 0.000 0.522 402 P HA -0.176 nan 4.420 nan 0.000 0.213 402 P C 1.664 178.986 177.300 0.036 0.000 1.170 402 P CA 0.726 63.831 63.100 0.008 0.000 0.902 402 P CB 0.482 32.170 31.700 -0.020 0.000 0.789 403 V N -0.100 119.828 119.914 0.023 0.000 2.343 403 V HA -0.256 3.865 4.120 0.001 0.000 0.247 403 V C 2.462 178.628 176.094 0.120 0.000 1.051 403 V CA 2.240 64.579 62.300 0.064 0.000 1.036 403 V CB -1.785 30.054 31.823 0.027 0.000 0.654 403 V HN 0.108 nan 8.190 nan 0.000 0.451 404 A N -0.341 122.520 122.820 0.068 0.000 1.933 404 A HA -0.217 4.104 4.320 0.001 0.000 0.218 404 A C 2.392 180.011 177.584 0.058 0.000 1.175 404 A CA 2.475 54.545 52.037 0.055 0.000 0.628 404 A CB -0.874 18.143 19.000 0.029 0.000 0.814 404 A HN 0.509 nan 8.150 nan 0.000 0.444 405 T N -1.656 112.935 114.554 0.062 0.000 2.812 405 T HA -0.123 4.228 4.350 0.001 0.000 0.264 405 T C 1.779 176.526 174.700 0.080 0.000 1.042 405 T CA 1.483 63.614 62.100 0.051 0.000 1.140 405 T CB -0.421 68.470 68.868 0.038 0.000 0.870 405 T HN 0.582 nan 8.240 nan 0.000 0.445 406 Y N 2.457 122.750 120.300 -0.012 0.000 2.128 406 Y HA -0.185 4.366 4.550 0.001 0.000 0.284 406 Y C 2.442 178.360 175.900 0.030 0.000 1.154 406 Y CA 1.389 59.485 58.100 -0.006 0.000 1.149 406 Y CB -0.230 38.216 38.460 -0.023 0.000 0.976 406 Y HN 0.003 nan 8.280 nan 0.000 0.505 407 R N -0.087 120.424 120.500 0.018 0.000 2.096 407 R HA -0.114 4.227 4.340 0.001 0.000 0.235 407 R C 2.456 178.707 176.300 -0.082 0.000 1.127 407 R CA 1.078 57.134 56.100 -0.073 0.000 0.968 407 R CB -0.608 29.718 30.300 0.043 0.000 0.861 407 R HN 0.461 nan 8.270 nan 0.000 0.440 408 A N 1.012 123.809 122.820 -0.037 0.000 2.015 408 A HA -0.133 4.188 4.320 0.001 0.000 0.219 408 A C 2.177 179.735 177.584 -0.044 0.000 1.163 408 A CA 1.591 53.610 52.037 -0.031 0.000 0.646 408 A CB -0.334 18.659 19.000 -0.012 0.000 0.806 408 A HN 0.418 nan 8.150 nan 0.000 0.448 409 S N -1.464 114.199 115.700 -0.062 0.000 2.428 409 S HA 0.280 4.751 4.470 0.001 0.000 0.230 409 S C 1.575 176.142 174.600 -0.054 0.000 1.014 409 S CA 1.211 59.386 58.200 -0.042 0.000 0.957 409 S CB -0.652 62.538 63.200 -0.016 0.000 0.784 409 S HN 1.924 nan 8.310 nan 0.000 0.499 410 G N 0.354 109.083 108.800 -0.118 0.000 2.160 410 G HA2 -0.374 3.587 3.960 0.001 0.000 0.251 410 G HA3 -0.374 3.587 3.960 0.001 0.000 0.251 410 G C 0.204 175.040 174.900 -0.107 0.000 1.008 410 G CA 0.455 45.488 45.100 -0.111 0.000 0.724 410 G HN 0.602 nan 8.290 nan 0.000 0.514 411 Y N 0.899 121.028 120.300 -0.286 0.000 2.097 411 Y HA -0.200 4.351 4.550 0.001 0.000 0.282 411 Y C 2.803 178.627 175.900 -0.128 0.000 1.152 411 Y CA 2.848 60.831 58.100 -0.195 0.000 1.136 411 Y CB -0.209 38.129 38.460 -0.203 0.000 0.975 411 Y HN 0.334 nan 8.280 nan 0.000 0.498 412 R N 0.965 121.402 120.500 -0.106 0.000 2.083 412 R HA -0.175 4.166 4.340 0.001 0.000 0.237 412 R C 2.279 178.516 176.300 -0.104 0.000 1.137 412 R CA 1.907 57.988 56.100 -0.032 0.000 0.951 412 R CB -1.291 29.049 30.300 0.067 0.000 0.851 412 R HN 0.435 nan 8.270 nan 0.000 0.434 413 A N 0.800 123.559 122.820 -0.102 0.000 1.933 413 A HA -0.176 4.145 4.320 0.001 0.000 0.218 413 A C 2.273 179.792 177.584 -0.109 0.000 1.175 413 A CA 1.643 53.631 52.037 -0.081 0.000 0.628 413 A CB -0.664 18.298 19.000 -0.064 0.000 0.814 413 A HN 0.469 nan 8.150 nan 0.000 0.444 414 R N 0.284 120.686 120.500 -0.164 0.000 2.070 414 R HA -0.128 4.213 4.340 0.001 0.000 0.232 414 R C 2.052 178.230 176.300 -0.205 0.000 1.138 414 R CA 2.425 58.417 56.100 -0.179 0.000 0.936 414 R CB -0.706 29.465 30.300 -0.215 0.000 0.839 414 R HN 0.505 nan 8.270 nan 0.000 0.429 415 V N -1.247 118.469 119.914 -0.330 0.000 2.759 415 V HA 0.022 4.143 4.120 0.001 0.000 0.256 415 V C 2.325 178.349 176.094 -0.116 0.000 1.080 415 V CA 1.524 63.675 62.300 -0.247 0.000 1.101 415 V CB -0.927 30.699 31.823 -0.329 0.000 0.698 415 V HN 0.417 nan 8.190 nan 0.000 0.477 416 A N 0.765 123.527 122.820 -0.095 0.000 1.930 416 A HA 0.172 4.493 4.320 0.001 0.000 0.217 416 A C 2.435 179.998 177.584 -0.035 0.000 1.175 416 A CA 1.962 53.973 52.037 -0.042 0.000 0.627 416 A CB -0.855 18.128 19.000 -0.028 0.000 0.815 416 A HN 0.920 nan 8.150 nan 0.000 0.443 417 A N -0.224 122.567 122.820 -0.049 0.000 2.016 417 A HA -0.042 4.279 4.320 0.001 0.000 0.217 417 A C 1.831 179.397 177.584 -0.030 0.000 1.162 417 A CA 1.332 53.348 52.037 -0.034 0.000 0.662 417 A CB -0.314 18.664 19.000 -0.038 0.000 0.812 417 A HN 0.630 nan 8.150 nan 0.000 0.450 418 E N -0.389 119.786 120.200 -0.042 0.000 2.230 418 E HA -0.000 4.351 4.350 0.001 0.000 0.192 418 E C 0.242 176.835 176.600 -0.012 0.000 0.987 418 E CA 0.224 56.607 56.400 -0.029 0.000 0.841 418 E CB 0.106 29.782 29.700 -0.040 0.000 0.783 418 E HN 0.460 nan 8.360 nan 0.000 0.481 419 R N 2.295 122.788 120.500 -0.012 0.000 2.338 419 R HA 0.276 4.617 4.340 0.001 0.000 0.317 419 R C -2.413 173.893 176.300 0.009 0.000 0.968 419 R CA -1.885 54.218 56.100 0.006 0.000 0.849 419 R CB 0.936 31.243 30.300 0.012 0.000 1.128 419 R HN -0.024 nan 8.270 nan 0.000 0.448 420 P HA 0.160 nan 4.420 nan 0.000 0.286 420 P C -0.886 176.426 177.300 0.020 0.000 1.269 420 P CA -0.394 62.715 63.100 0.015 0.000 0.787 420 P CB 1.501 33.211 31.700 0.016 0.000 0.920 421 A N 3.406 126.237 122.820 0.019 0.000 2.388 421 A HA 0.330 4.651 4.320 0.001 0.000 0.257 421 A C 0.644 178.240 177.584 0.020 0.000 1.095 421 A CA -0.196 51.854 52.037 0.022 0.000 0.791 421 A CB -0.198 18.816 19.000 0.024 0.000 1.029 421 A HN 0.552 nan 8.150 nan 0.000 0.489 422 S N 0.380 116.091 115.700 0.019 0.000 2.568 422 S HA 0.216 4.687 4.470 0.001 0.000 0.282 422 S C 1.160 175.770 174.600 0.015 0.000 1.338 422 S CA -0.362 57.847 58.200 0.016 0.000 1.045 422 S CB 1.047 64.254 63.200 0.012 0.000 0.873 422 S HN 0.570 nan 8.310 nan 0.000 0.516 423 V N 0.937 120.859 119.914 0.014 0.000 3.455 423 V HA 0.347 4.468 4.120 0.001 0.000 0.250 423 V C 0.753 176.854 176.094 0.012 0.000 1.230 423 V CA 0.949 63.257 62.300 0.014 0.000 1.105 423 V CB -0.177 31.654 31.823 0.014 0.000 0.850 423 V HN 0.864 nan 8.190 nan 0.000 0.461 424 A N 0.000 122.826 122.820 0.011 0.000 2.254 424 A HA 0.000 4.321 4.320 0.001 0.000 0.244 424 A CA 0.000 52.042 52.037 0.009 0.000 0.836 424 A CB 0.000 19.006 19.000 0.010 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486