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 3itl_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 HMINQSHNVT 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 0.000 175.828 175.800 0.046 0.000 0.967 4 F CA 0.000 58.014 58.000 0.023 0.000 1.383 4 F CB 0.000 39.009 39.000 0.016 0.000 1.145 5 R N 1.255 121.878 120.500 0.204 0.000 2.081 5 R HA 0.087 4.423 4.340 -0.006 0.000 0.235 5 R C 0.467 176.891 176.300 0.207 0.000 1.131 5 R CA 1.124 57.341 56.100 0.194 0.000 0.960 5 R CB 0.068 30.421 30.300 0.088 0.000 0.856 5 R HN 0.304 nan 8.270 nan 0.000 0.436 6 I N 1.034 121.694 120.570 0.151 0.000 2.354 6 I HA 0.257 4.423 4.170 -0.006 0.000 0.292 6 I C 0.214 176.380 176.117 0.081 0.000 0.989 6 I CA -1.721 59.643 61.300 0.105 0.000 1.188 6 I CB 1.093 39.120 38.000 0.046 0.000 1.342 6 I HN -0.057 nan 8.210 nan 0.000 0.457 7 A N 6.166 129.019 122.820 0.055 0.000 2.567 7 A HA 0.025 4.341 4.320 -0.006 0.000 0.240 7 A C 1.266 178.797 177.584 -0.087 0.000 1.053 7 A CA 0.165 52.202 52.037 0.001 0.000 0.755 7 A CB 0.103 19.107 19.000 0.006 0.000 0.978 7 A HN 0.829 nan 8.150 nan 0.000 0.507 8 Q N 1.132 120.813 119.800 -0.198 0.000 2.170 8 Q HA -0.227 4.109 4.340 -0.006 0.000 0.203 8 Q C 1.224 177.133 176.000 -0.152 0.000 0.976 8 Q CA 1.867 57.507 55.803 -0.273 0.000 0.858 8 Q CB -0.171 28.310 28.738 -0.429 0.000 0.907 8 Q HN 1.045 nan 8.270 nan 0.000 0.433 9 D N -0.250 120.088 120.400 -0.103 0.000 2.219 9 D HA -0.125 4.511 4.640 -0.006 0.000 0.205 9 D C 1.685 177.953 176.300 -0.053 0.000 0.970 9 D CA 0.757 54.716 54.000 -0.068 0.000 0.851 9 D CB -0.287 40.484 40.800 -0.047 0.000 0.943 9 D HN 0.027 nan 8.370 nan 0.000 0.488 10 V N 0.429 120.315 119.914 -0.048 0.000 2.379 10 V HA -0.180 3.936 4.120 -0.006 0.000 0.245 10 V C 2.647 178.719 176.094 -0.036 0.000 1.044 10 V CA 1.111 63.391 62.300 -0.033 0.000 1.036 10 V CB -0.297 31.514 31.823 -0.020 0.000 0.664 10 V HN 0.187 nan 8.190 nan 0.000 0.453 11 V N 0.611 120.495 119.914 -0.050 0.000 2.295 11 V HA -0.258 3.858 4.120 -0.006 0.000 0.246 11 V C 2.743 178.807 176.094 -0.050 0.000 1.049 11 V CA 2.097 64.368 62.300 -0.049 0.000 1.024 11 V CB -1.239 30.542 31.823 -0.070 0.000 0.648 11 V HN 0.543 nan 8.190 nan 0.000 0.447 12 A N -0.093 122.689 122.820 -0.063 0.000 1.877 12 A HA -0.249 4.067 4.320 -0.006 0.000 0.216 12 A C 2.439 179.999 177.584 -0.040 0.000 1.186 12 A CA 2.032 54.036 52.037 -0.055 0.000 0.620 12 A CB -0.597 18.366 19.000 -0.062 0.000 0.822 12 A HN 0.455 nan 8.150 nan 0.000 0.443 13 R N -0.487 119.991 120.500 -0.037 0.000 2.080 13 R HA -0.164 4.172 4.340 -0.006 0.000 0.236 13 R C 1.864 178.150 176.300 -0.023 0.000 1.137 13 R CA 1.766 57.849 56.100 -0.028 0.000 0.943 13 R CB -0.231 30.054 30.300 -0.025 0.000 0.846 13 R HN 0.461 nan 8.270 nan 0.000 0.431 14 E N 0.248 120.435 120.200 -0.022 0.000 2.150 14 E HA -0.128 4.218 4.350 -0.006 0.000 0.193 14 E C 1.606 178.196 176.600 -0.018 0.000 0.985 14 E CA 0.978 57.369 56.400 -0.016 0.000 0.814 14 E CB -0.363 29.331 29.700 -0.010 0.000 0.752 14 E HN 0.525 nan 8.360 nan 0.000 0.466 15 N N 0.701 119.387 118.700 -0.024 0.000 2.171 15 N HA -0.117 4.619 4.740 -0.006 0.000 0.184 15 N C 1.226 176.721 175.510 -0.026 0.000 1.021 15 N CA 0.816 53.850 53.050 -0.026 0.000 0.854 15 N CB 0.103 38.570 38.487 -0.033 0.000 0.994 15 N HN 0.073 nan 8.380 nan 0.000 0.426 16 D N 0.821 121.205 120.400 -0.026 0.000 2.144 16 D HA -0.147 4.490 4.640 -0.006 0.000 0.199 16 D C 1.802 178.091 176.300 -0.020 0.000 0.984 16 D CA 0.736 54.721 54.000 -0.024 0.000 0.834 16 D CB -0.205 40.580 40.800 -0.024 0.000 0.955 16 D HN 0.208 nan 8.370 nan 0.000 0.465 17 R N 0.740 121.230 120.500 -0.018 0.000 2.152 17 R HA -0.053 4.284 4.340 -0.006 0.000 0.232 17 R C 1.377 177.669 176.300 -0.013 0.000 1.117 17 R CA 1.004 57.095 56.100 -0.014 0.000 0.981 17 R CB 0.178 30.471 30.300 -0.012 0.000 0.870 17 R HN 0.110 nan 8.270 nan 0.000 0.451 18 R N -1.267 119.225 120.500 -0.014 0.000 2.437 18 R HA 0.235 4.571 4.340 -0.006 0.000 0.257 18 R C 1.729 178.021 176.300 -0.015 0.000 0.927 18 R CA 0.356 56.448 56.100 -0.012 0.000 1.078 18 R CB 0.615 30.909 30.300 -0.011 0.000 1.161 18 R HN 0.099 nan 8.270 nan 0.000 0.529 19 A N 0.992 123.801 122.820 -0.019 0.000 1.883 19 A HA -0.223 4.093 4.320 -0.006 0.000 0.217 19 A C 2.155 179.728 177.584 -0.018 0.000 1.186 19 A CA 2.094 54.116 52.037 -0.024 0.000 0.624 19 A CB -0.588 18.395 19.000 -0.028 0.000 0.822 19 A HN 0.270 nan 8.150 nan 0.000 0.444 20 S N -0.502 115.190 115.700 -0.014 0.000 2.359 20 S HA -0.086 4.380 4.470 -0.006 0.000 0.224 20 S C 2.206 176.804 174.600 -0.003 0.000 1.035 20 S CA 1.780 59.975 58.200 -0.008 0.000 1.018 20 S CB -0.532 62.663 63.200 -0.008 0.000 0.876 20 S HN 0.868 nan 8.310 nan 0.000 0.448 21 A N 1.256 124.074 122.820 -0.003 0.000 1.902 21 A HA 0.001 4.317 4.320 -0.006 0.000 0.217 21 A C 2.164 179.755 177.584 0.011 0.000 1.181 21 A CA 1.662 53.700 52.037 0.002 0.000 0.623 21 A CB -0.897 18.101 19.000 -0.002 0.000 0.818 21 A HN 0.582 nan 8.150 nan 0.000 0.443 22 L N 0.064 121.292 121.223 0.008 0.000 2.046 22 L HA -0.140 4.196 4.340 -0.006 0.000 0.208 22 L C 2.256 179.154 176.870 0.047 0.000 1.077 22 L CA 2.693 57.547 54.840 0.023 0.000 0.747 22 L CB -0.605 41.452 42.059 -0.004 0.000 0.896 22 L HN 0.462 nan 8.230 nan 0.000 0.432 23 K N -0.844 119.569 120.400 0.020 0.000 2.032 23 K HA -0.199 4.117 4.320 -0.006 0.000 0.209 23 K C 1.970 178.609 176.600 0.065 0.000 1.048 23 K CA 1.622 57.929 56.287 0.033 0.000 0.927 23 K CB -0.068 32.435 32.500 0.005 0.000 0.712 23 K HN 0.340 nan 8.250 nan 0.000 0.441 24 E N 1.163 121.386 120.200 0.038 0.000 2.051 24 E HA -0.186 4.160 4.350 -0.006 0.000 0.192 24 E C 1.815 178.436 176.600 0.036 0.000 0.991 24 E CA 1.247 57.665 56.400 0.030 0.000 0.799 24 E CB -0.303 29.405 29.700 0.012 0.000 0.748 24 E HN 0.431 nan 8.360 nan 0.000 0.449 25 D N -0.208 120.217 120.400 0.041 0.000 2.117 25 D HA -0.144 4.492 4.640 -0.006 0.000 0.198 25 D C 1.958 178.285 176.300 0.045 0.000 0.982 25 D CA 0.751 54.769 54.000 0.028 0.000 0.828 25 D CB -0.444 40.369 40.800 0.022 0.000 0.967 25 D HN 0.218 nan 8.370 nan 0.000 0.464 26 Y N 1.943 122.226 120.300 -0.029 0.000 2.200 26 Y HA -0.155 4.391 4.550 -0.007 0.000 0.290 26 Y C 2.144 178.028 175.900 -0.027 0.000 1.137 26 Y CA 1.621 59.703 58.100 -0.029 0.000 1.163 26 Y CB 0.110 38.555 38.460 -0.025 0.000 0.988 26 Y HN -0.048 nan 8.280 nan 0.000 0.518 27 E N -0.206 120.094 120.200 0.167 0.000 2.150 27 E HA -0.180 4.166 4.350 -0.006 0.000 0.193 27 E C 2.298 178.888 176.600 -0.016 0.000 0.985 27 E CA 0.800 57.249 56.400 0.081 0.000 0.814 27 E CB -0.251 29.501 29.700 0.087 0.000 0.752 27 E HN 0.576 nan 8.360 nan 0.000 0.466 28 A N 1.366 124.172 122.820 -0.023 0.000 1.898 28 A HA -0.131 4.185 4.320 -0.006 0.000 0.216 28 A C 2.168 179.701 177.584 -0.085 0.000 1.181 28 A CA 0.844 52.854 52.037 -0.044 0.000 0.620 28 A CB -0.446 18.533 19.000 -0.034 0.000 0.819 28 A HN 0.217 nan 8.150 nan 0.000 0.442 29 L N 0.259 121.406 121.223 -0.126 0.000 2.083 29 L HA 0.008 4.345 4.340 -0.006 0.000 0.209 29 L C 2.328 179.072 176.870 -0.209 0.000 1.083 29 L CA 2.222 56.958 54.840 -0.174 0.000 0.752 29 L CB -1.052 40.873 42.059 -0.223 0.000 0.899 29 L HN 0.290 nan 8.230 nan 0.000 0.433 30 G N -0.958 107.684 108.800 -0.263 0.000 2.418 30 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.217 30 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.217 30 G C 1.598 176.426 174.900 -0.121 0.000 1.158 30 G CA 0.832 45.795 45.100 -0.228 0.000 0.771 30 G HN 0.631 nan 8.290 nan 0.000 0.545 31 A N 1.079 123.847 122.820 -0.087 0.000 1.898 31 A HA -0.116 4.200 4.320 -0.006 0.000 0.216 31 A C 2.222 179.770 177.584 -0.059 0.000 1.181 31 A CA 1.894 53.897 52.037 -0.057 0.000 0.620 31 A CB -0.596 18.379 19.000 -0.041 0.000 0.819 31 A HN 0.452 nan 8.150 nan 0.000 0.442 32 N N 0.363 119.020 118.700 -0.071 0.000 2.120 32 N HA -0.115 4.621 4.740 -0.006 0.000 0.188 32 N C 1.743 177.212 175.510 -0.068 0.000 1.024 32 N CA 1.580 54.590 53.050 -0.066 0.000 0.852 32 N CB -0.250 38.192 38.487 -0.075 0.000 1.003 32 N HN 0.508 nan 8.380 nan 0.000 0.424 33 L N 0.704 121.876 121.223 -0.086 0.000 2.093 33 L HA -0.060 4.276 4.340 -0.006 0.000 0.208 33 L C 2.719 179.553 176.870 -0.060 0.000 1.085 33 L CA 1.034 55.826 54.840 -0.080 0.000 0.755 33 L CB -0.508 41.487 42.059 -0.107 0.000 0.904 33 L HN 0.166 nan 8.230 nan 0.000 0.435 34 A N 0.190 122.975 122.820 -0.058 0.000 1.902 34 A HA -0.205 4.111 4.320 -0.006 0.000 0.217 34 A C 2.352 179.917 177.584 -0.032 0.000 1.181 34 A CA 1.389 53.401 52.037 -0.041 0.000 0.623 34 A CB -0.466 18.512 19.000 -0.036 0.000 0.818 34 A HN 0.319 nan 8.150 nan 0.000 0.443 35 R N -0.892 119.588 120.500 -0.033 0.000 2.189 35 R HA -0.029 4.307 4.340 -0.006 0.000 0.223 35 R C 1.568 177.854 176.300 -0.023 0.000 1.092 35 R CA 1.188 57.272 56.100 -0.026 0.000 0.989 35 R CB -0.141 30.143 30.300 -0.027 0.000 0.876 35 R HN 0.447 nan 8.270 nan 0.000 0.457 36 R N -0.636 119.847 120.500 -0.028 0.000 2.359 36 R HA 0.118 4.454 4.340 -0.006 0.000 0.231 36 R C 0.707 176.995 176.300 -0.019 0.000 0.913 36 R CA 0.463 56.550 56.100 -0.021 0.000 1.075 36 R CB 0.870 31.154 30.300 -0.026 0.000 1.087 36 R HN 0.288 nan 8.270 nan 0.000 0.515 37 G N 0.666 109.453 108.800 -0.022 0.000 2.147 37 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.244 37 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.244 37 G C -0.080 174.806 174.900 -0.023 0.000 1.005 37 G CA 0.081 45.170 45.100 -0.019 0.000 0.713 37 G HN 0.150 nan 8.290 nan 0.000 0.515 38 V N 0.471 120.366 119.914 -0.031 0.000 2.555 38 V HA 0.539 4.655 4.120 -0.006 0.000 0.302 38 V C -0.276 175.792 176.094 -0.043 0.000 1.038 38 V CA -0.976 61.301 62.300 -0.038 0.000 0.887 38 V CB 2.010 33.804 31.823 -0.048 0.000 0.991 38 V HN 0.298 nan 8.190 nan 0.000 0.434 39 D N 3.533 123.912 120.400 -0.035 0.000 2.380 39 D HA 0.199 4.835 4.640 -0.006 0.000 0.230 39 D C 0.977 177.254 176.300 -0.038 0.000 1.154 39 D CA -0.160 53.822 54.000 -0.029 0.000 0.859 39 D CB 1.375 42.168 40.800 -0.012 0.000 1.045 39 D HN 0.573 nan 8.370 nan 0.000 0.495 40 I N 3.471 124.002 120.570 -0.065 0.000 2.335 40 I HA -0.238 3.928 4.170 -0.006 0.000 0.251 40 I C 1.559 177.676 176.117 -0.000 0.000 1.129 40 I CA 1.132 62.374 61.300 -0.097 0.000 1.402 40 I CB 0.402 38.250 38.000 -0.253 0.000 1.069 40 I HN 0.332 nan 8.210 nan 0.000 0.424 41 E N 0.923 121.150 120.200 0.045 0.000 2.150 41 E HA -0.165 4.181 4.350 -0.006 0.000 0.193 41 E C 2.200 178.831 176.600 0.051 0.000 0.985 41 E CA 1.232 57.684 56.400 0.086 0.000 0.814 41 E CB -0.291 29.454 29.700 0.074 0.000 0.752 41 E HN 0.643 nan 8.360 nan 0.000 0.466 42 A N 0.867 123.701 122.820 0.023 0.000 1.929 42 A HA -0.093 4.224 4.320 -0.006 0.000 0.216 42 A C 2.574 180.162 177.584 0.007 0.000 1.176 42 A CA 1.140 53.186 52.037 0.014 0.000 0.628 42 A CB -0.465 18.536 19.000 0.002 0.000 0.816 42 A HN 0.128 nan 8.150 nan 0.000 0.444 43 V N -0.286 119.620 119.914 -0.012 0.000 2.307 43 V HA -0.199 3.917 4.120 -0.006 0.000 0.245 43 V C 2.709 178.803 176.094 0.000 0.000 1.045 43 V CA 2.409 64.687 62.300 -0.038 0.000 1.024 43 V CB -1.338 30.441 31.823 -0.073 0.000 0.651 43 V HN 0.575 nan 8.190 nan 0.000 0.449 44 T N 0.659 115.238 114.554 0.043 0.000 2.788 44 T HA -0.161 4.185 4.350 -0.006 0.000 0.268 44 T C 2.060 176.798 174.700 0.064 0.000 1.044 44 T CA 1.599 63.748 62.100 0.082 0.000 1.139 44 T CB -0.438 68.528 68.868 0.164 0.000 0.867 44 T HN 0.562 nan 8.240 nan 0.000 0.454 45 A N 1.682 124.535 122.820 0.056 0.000 1.972 45 A HA -0.109 4.207 4.320 -0.006 0.000 0.219 45 A C 2.276 179.890 177.584 0.051 0.000 1.169 45 A CA 1.329 53.395 52.037 0.048 0.000 0.635 45 A CB -0.319 18.706 19.000 0.043 0.000 0.810 45 A HN 0.437 nan 8.150 nan 0.000 0.446 46 K N -0.580 119.858 120.400 0.063 0.000 2.116 46 K HA 0.028 4.344 4.320 -0.006 0.000 0.203 46 K C 1.858 178.563 176.600 0.175 0.000 1.052 46 K CA 1.092 57.447 56.287 0.113 0.000 0.952 46 K CB -0.289 32.282 32.500 0.118 0.000 0.729 46 K HN 0.293 nan 8.250 nan 0.000 0.446 47 V N 2.389 122.392 119.914 0.148 0.000 2.407 47 V HA -0.229 3.887 4.120 -0.006 0.000 0.248 47 V C 1.875 178.006 176.094 0.061 0.000 1.055 47 V CA 1.769 64.163 62.300 0.157 0.000 1.049 47 V CB -0.495 31.373 31.823 0.075 0.000 0.662 47 V HN 0.344 nan 8.190 nan 0.000 0.455 48 E N -0.063 120.159 120.200 0.038 0.000 2.267 48 E HA -0.222 4.125 4.350 -0.006 0.000 0.197 48 E C 1.757 178.312 176.600 -0.075 0.000 0.998 48 E CA 0.961 57.377 56.400 0.025 0.000 0.830 48 E CB -0.110 29.618 29.700 0.047 0.000 0.751 48 E HN 0.579 nan 8.360 nan 0.000 0.491 49 K N -0.008 120.269 120.400 -0.204 0.000 2.372 49 K HA 0.095 4.411 4.320 -0.006 0.000 0.200 49 K C -0.200 175.746 176.600 -1.089 0.000 1.022 49 K CA -0.351 55.587 56.287 -0.582 0.000 1.125 49 K CB 0.325 32.681 32.500 -0.241 0.000 0.855 49 K HN -0.023 nan 8.250 nan 0.000 0.524 50 F N 1.584 121.032 119.950 -0.835 0.000 2.424 50 F HA 0.288 4.812 4.527 -0.006 0.000 0.356 50 F C -0.658 174.726 175.800 -0.693 0.000 1.110 50 F CA -0.835 56.684 58.000 -0.801 0.000 1.161 50 F CB 0.316 38.842 39.000 -0.789 0.000 1.115 50 F HN -0.218 nan 8.300 nan 0.000 0.507 51 F N 5.299 124.776 119.950 -0.789 0.000 2.546 51 F HA 0.683 5.206 4.527 -0.007 0.000 0.320 51 F C -0.522 174.970 175.800 -0.513 0.000 1.076 51 F CA -1.453 56.277 58.000 -0.451 0.000 0.928 51 F CB 1.560 40.408 39.000 -0.252 0.000 1.189 51 F HN 0.231 nan 8.300 nan 0.000 0.465 52 V N 1.820 121.744 119.914 0.018 0.000 2.760 52 V HA 0.865 4.981 4.120 -0.006 0.000 0.309 52 V C -0.780 175.369 176.094 0.091 0.000 1.077 52 V CA -0.806 61.552 62.300 0.096 0.000 0.910 52 V CB 1.616 33.549 31.823 0.184 0.000 1.008 52 V HN 1.048 nan 8.190 nan 0.000 0.424 53 A N 5.528 128.413 122.820 0.108 0.000 2.388 53 A HA 0.667 4.983 4.320 -0.006 0.000 0.257 53 A C -0.327 177.260 177.584 0.006 0.000 1.095 53 A CA -0.185 51.879 52.037 0.044 0.000 0.791 53 A CB 0.838 19.877 19.000 0.066 0.000 1.029 53 A HN 1.078 nan 8.150 nan 0.000 0.489 54 V N 5.220 125.101 119.914 -0.055 0.000 2.439 54 V HA 0.366 4.482 4.120 -0.006 0.000 0.282 54 V C -1.962 174.003 176.094 -0.215 0.000 1.039 54 V CA -1.439 60.792 62.300 -0.114 0.000 0.913 54 V CB 1.694 33.454 31.823 -0.105 0.000 0.983 54 V HN 0.860 nan 8.190 nan 0.000 0.460 55 P HA 0.129 nan 4.420 nan 0.000 0.282 55 P C 0.763 177.677 177.300 -0.643 0.000 1.262 55 P CA -0.098 62.428 63.100 -0.956 0.000 0.773 55 P CB 1.380 32.098 31.700 -1.636 0.000 0.879 56 S N 3.157 118.683 115.700 -0.291 0.000 2.383 56 S HA -0.192 4.274 4.470 -0.006 0.000 0.229 56 S C 1.527 176.199 174.600 0.120 0.000 1.030 56 S CA 0.880 59.110 58.200 0.050 0.000 1.002 56 S CB -1.477 61.892 63.200 0.283 0.000 0.829 56 S HN 0.697 nan 8.310 nan 0.000 0.467 57 W N 1.697 123.131 121.300 0.223 0.000 3.077 57 W HA 0.547 5.203 4.660 -0.006 0.000 0.245 57 W C 1.645 178.226 176.519 0.105 0.000 1.316 57 W CA -0.196 57.245 57.345 0.160 0.000 1.537 57 W CB -0.643 28.990 29.460 0.289 0.000 1.131 57 W HN 0.228 nan 8.180 nan 0.000 0.695 58 G N 0.516 109.188 108.800 -0.214 0.000 3.088 58 G HA2 -0.013 3.943 3.960 -0.006 0.000 0.217 58 G HA3 -0.013 3.943 3.960 -0.006 0.000 0.217 58 G C 1.016 175.988 174.900 0.121 0.000 1.159 58 G CA 0.398 45.483 45.100 -0.025 0.000 0.760 58 G HN 0.236 nan 8.290 nan 0.000 0.550 59 V N 0.642 120.579 119.914 0.039 0.000 3.306 59 V HA 0.315 4.431 4.120 -0.006 0.000 0.264 59 V C 1.590 177.730 176.094 0.075 0.000 1.149 59 V CA 1.054 63.375 62.300 0.034 0.000 1.143 59 V CB -0.092 31.744 31.823 0.021 0.000 0.767 59 V HN 0.276 nan 8.190 nan 0.000 0.476 60 G N -0.587 108.269 108.800 0.095 0.000 2.434 60 G HA2 0.430 4.387 3.960 -0.006 0.000 0.330 60 G HA3 0.430 4.387 3.960 -0.006 0.000 0.330 60 G C -0.309 174.656 174.900 0.109 0.000 1.155 60 G CA -0.227 44.925 45.100 0.086 0.000 0.917 60 G HN 0.179 nan 8.290 nan 0.000 0.493 61 T N 0.483 115.096 114.554 0.099 0.000 2.916 61 T HA 0.451 4.798 4.350 -0.006 0.000 0.303 61 T C 0.947 175.698 174.700 0.086 0.000 1.025 61 T CA 0.555 62.725 62.100 0.116 0.000 1.142 61 T CB 1.100 70.037 68.868 0.115 0.000 0.947 61 T HN 0.714 nan 8.240 nan 0.000 0.544 62 G N 0.799 109.655 108.800 0.093 0.000 2.511 62 G HA2 0.735 4.691 3.960 -0.006 0.000 0.316 62 G HA3 0.735 4.691 3.960 -0.006 0.000 0.316 62 G C -0.136 174.802 174.900 0.062 0.000 1.210 62 G CA -0.438 44.696 45.100 0.056 0.000 0.969 62 G HN 0.975 nan 8.290 nan 0.000 0.492 63 G N -1.803 107.022 108.800 0.041 0.000 2.721 63 G HA2 0.720 4.676 3.960 -0.006 0.000 0.296 63 G HA3 0.720 4.676 3.960 -0.006 0.000 0.296 63 G C -0.426 174.505 174.900 0.052 0.000 1.383 63 G CA 0.337 45.464 45.100 0.043 0.000 0.788 63 G HN 1.118 nan 8.290 nan 0.000 0.500 64 T N -2.977 111.616 114.554 0.065 0.000 2.841 64 T HA 0.444 4.790 4.350 -0.006 0.000 0.276 64 T C 1.400 176.104 174.700 0.007 0.000 1.003 64 T CA -0.247 61.901 62.100 0.081 0.000 0.995 64 T CB 1.701 70.684 68.868 0.192 0.000 1.260 64 T HN 0.785 nan 8.240 nan 0.000 0.581 65 R N -0.615 119.838 120.500 -0.079 0.000 2.285 65 R HA 0.102 4.438 4.340 -0.006 0.000 0.213 65 R C 1.058 177.149 176.300 -0.347 0.000 1.068 65 R CA 1.035 56.997 56.100 -0.231 0.000 1.004 65 R CB -0.679 29.421 30.300 -0.334 0.000 0.873 65 R HN 0.503 nan 8.270 nan 0.000 0.467 66 F N 0.915 120.870 119.950 0.008 0.000 2.446 66 F HA 0.389 4.913 4.527 -0.006 0.000 0.292 66 F C 1.096 176.864 175.800 -0.055 0.000 1.096 66 F CA 0.580 58.580 58.000 -0.001 0.000 1.438 66 F CB 0.406 39.423 39.000 0.029 0.000 1.107 66 F HN 0.216 nan 8.300 nan 0.000 0.546 67 A N -0.402 122.443 122.820 0.041 0.000 2.549 67 A HA 0.636 4.952 4.320 -0.006 0.000 0.291 67 A C -1.244 176.134 177.584 -0.343 0.000 1.034 67 A CA -0.855 51.044 52.037 -0.230 0.000 0.655 67 A CB 0.973 19.718 19.000 -0.425 0.000 1.299 67 A HN 0.055 nan 8.150 nan 0.000 0.427 68 R N 0.178 120.364 120.500 -0.523 0.000 2.575 68 R HA 0.717 5.053 4.340 -0.006 0.000 0.293 68 R C -2.149 173.839 176.300 -0.521 0.000 0.983 68 R CA -0.503 55.386 56.100 -0.351 0.000 0.887 68 R CB 0.959 31.168 30.300 -0.152 0.000 1.184 68 R HN 0.593 nan 8.270 nan 0.000 0.445 69 F N 5.566 125.546 119.950 0.049 0.000 2.451 69 F HA 0.358 4.882 4.527 -0.005 0.000 0.367 69 F C -1.675 174.152 175.800 0.045 0.000 1.100 69 F CA -1.995 56.032 58.000 0.045 0.000 1.171 69 F CB 1.145 40.174 39.000 0.047 0.000 1.405 69 F HN 0.310 nan 8.300 nan 0.000 0.482 70 P HA 0.212 nan 4.420 nan 0.000 0.269 70 P C 0.310 177.683 177.300 0.121 0.000 1.215 70 P CA 0.037 63.206 63.100 0.114 0.000 0.780 70 P CB 1.396 33.136 31.700 0.068 0.000 0.898 71 G N 0.750 109.613 108.800 0.104 0.000 2.606 71 G HA2 0.545 4.501 3.960 -0.006 0.000 0.262 71 G HA3 0.545 4.501 3.960 -0.006 0.000 0.262 71 G C -0.327 174.618 174.900 0.074 0.000 1.394 71 G CA -0.392 44.763 45.100 0.092 0.000 1.044 71 G HN 0.671 nan 8.290 nan 0.000 0.553 72 T N -3.586 111.008 114.554 0.066 0.000 2.899 72 T HA 0.462 4.808 4.350 -0.006 0.000 0.284 72 T C 1.177 175.906 174.700 0.049 0.000 1.004 72 T CA 0.707 62.837 62.100 0.049 0.000 1.043 72 T CB 1.089 69.978 68.868 0.035 0.000 1.013 72 T HN 2.174 nan 8.240 nan 0.000 0.518 73 G N 1.375 110.194 108.800 0.032 0.000 2.305 73 G HA2 -0.195 3.761 3.960 -0.006 0.000 0.287 73 G HA3 -0.195 3.761 3.960 -0.006 0.000 0.287 73 G C -0.054 174.877 174.900 0.052 0.000 1.036 73 G CA -0.109 45.007 45.100 0.026 0.000 0.887 73 G HN 0.889 nan 8.290 nan 0.000 0.505 74 E N 0.854 121.087 120.200 0.055 0.000 2.384 74 E HA 0.177 4.523 4.350 -0.006 0.000 0.266 74 E C -1.679 174.959 176.600 0.062 0.000 1.012 74 E CA -1.344 55.094 56.400 0.063 0.000 0.901 74 E CB 0.733 30.465 29.700 0.052 0.000 0.967 74 E HN 0.353 nan 8.360 nan 0.000 0.435 75 P HA 0.077 nan 4.420 nan 0.000 0.268 75 P C -0.056 177.286 177.300 0.070 0.000 1.204 75 P CA 0.085 63.235 63.100 0.083 0.000 0.768 75 P CB 0.670 32.427 31.700 0.095 0.000 0.842 76 R N 1.531 122.078 120.500 0.078 0.000 2.246 76 R HA 0.318 4.654 4.340 -0.006 0.000 0.199 76 R C 1.301 177.652 176.300 0.084 0.000 0.984 76 R CA 0.565 56.708 56.100 0.072 0.000 1.015 76 R CB 0.216 30.559 30.300 0.072 0.000 0.930 76 R HN 0.654 nan 8.270 nan 0.000 0.475 77 G N -0.563 108.300 108.800 0.105 0.000 2.554 77 G HA2 0.155 4.111 3.960 -0.006 0.000 0.306 77 G HA3 0.155 4.111 3.960 -0.006 0.000 0.306 77 G C -0.348 174.601 174.900 0.081 0.000 1.320 77 G CA -0.735 44.430 45.100 0.107 0.000 0.800 77 G HN -0.028 nan 8.290 nan 0.000 0.481 78 I N -0.430 120.138 120.570 -0.005 0.000 2.361 78 I HA 0.071 4.237 4.170 -0.006 0.000 0.251 78 I C 2.145 178.157 176.117 -0.174 0.000 1.133 78 I CA 1.358 62.590 61.300 -0.114 0.000 1.413 78 I CB -0.425 37.422 38.000 -0.256 0.000 1.073 78 I HN 0.392 nan 8.210 nan 0.000 0.424 79 F N 0.650 120.669 119.950 0.116 0.000 2.146 79 F HA -0.138 4.385 4.527 -0.007 0.000 0.298 79 F C 2.306 178.165 175.800 0.100 0.000 1.096 79 F CA 1.403 59.465 58.000 0.105 0.000 1.275 79 F CB -0.961 38.090 39.000 0.084 0.000 1.008 79 F HN 0.084 nan 8.300 nan 0.000 0.480 80 D N 0.295 120.840 120.400 0.242 0.000 2.144 80 D HA -0.124 4.513 4.640 -0.006 0.000 0.199 80 D C 2.106 178.497 176.300 0.151 0.000 0.984 80 D CA 1.112 55.219 54.000 0.179 0.000 0.834 80 D CB -0.259 40.626 40.800 0.143 0.000 0.955 80 D HN 0.223 nan 8.370 nan 0.000 0.465 81 K N 0.125 120.598 120.400 0.122 0.000 2.057 81 K HA -0.050 4.266 4.320 -0.006 0.000 0.207 81 K C 2.265 178.919 176.600 0.090 0.000 1.049 81 K CA 0.603 56.950 56.287 0.101 0.000 0.931 81 K CB -0.123 32.434 32.500 0.096 0.000 0.714 81 K HN 0.159 nan 8.250 nan 0.000 0.440 82 L N 1.059 122.340 121.223 0.097 0.000 2.083 82 L HA -0.208 4.128 4.340 -0.006 0.000 0.209 82 L C 1.841 178.761 176.870 0.083 0.000 1.083 82 L CA 1.010 55.902 54.840 0.086 0.000 0.752 82 L CB -0.449 41.683 42.059 0.121 0.000 0.899 82 L HN 0.166 nan 8.230 nan 0.000 0.433 83 D N 0.081 120.559 120.400 0.130 0.000 2.117 83 D HA -0.179 4.457 4.640 -0.006 0.000 0.197 83 D C 1.778 178.161 176.300 0.139 0.000 0.987 83 D CA 1.211 55.298 54.000 0.145 0.000 0.829 83 D CB -0.148 40.767 40.800 0.193 0.000 0.961 83 D HN 0.285 nan 8.370 nan 0.000 0.460 84 D N -0.471 120.016 120.400 0.145 0.000 2.149 84 D HA -0.069 4.567 4.640 -0.006 0.000 0.201 84 D C 2.147 178.436 176.300 -0.018 0.000 0.972 84 D CA 0.412 54.476 54.000 0.105 0.000 0.835 84 D CB -0.479 40.405 40.800 0.140 0.000 0.966 84 D HN 0.204 nan 8.370 nan 0.000 0.476 85 C N 1.048 120.340 119.300 -0.012 0.000 2.422 85 C HA -0.016 4.440 4.460 -0.006 0.000 0.279 85 C C 2.838 177.781 174.990 -0.077 0.000 1.305 85 C CA 0.668 59.651 59.018 -0.058 0.000 1.757 85 C CB -0.981 26.728 27.740 -0.052 0.000 1.962 85 C HN 0.352 nan 8.230 nan 0.000 0.499 86 A N 0.166 122.954 122.820 -0.054 0.000 1.972 86 A HA -0.088 4.228 4.320 -0.006 0.000 0.219 86 A C 2.251 179.788 177.584 -0.077 0.000 1.169 86 A CA 1.944 53.945 52.037 -0.060 0.000 0.635 86 A CB -0.560 18.425 19.000 -0.025 0.000 0.810 86 A HN 0.388 nan 8.150 nan 0.000 0.446 87 V N 0.234 120.072 119.914 -0.127 0.000 2.307 87 V HA -0.260 3.857 4.120 -0.006 0.000 0.245 87 V C 2.402 178.408 176.094 -0.147 0.000 1.045 87 V CA 2.010 64.195 62.300 -0.192 0.000 1.024 87 V CB -0.657 30.921 31.823 -0.409 0.000 0.651 87 V HN 0.595 nan 8.190 nan 0.000 0.449 88 I N 0.056 120.533 120.570 -0.154 0.000 2.226 88 I HA -0.289 3.877 4.170 -0.006 0.000 0.245 88 I C 2.629 178.689 176.117 -0.094 0.000 1.100 88 I CA 1.813 63.029 61.300 -0.140 0.000 1.374 88 I CB -0.406 37.508 38.000 -0.142 0.000 1.057 88 I HN 0.363 nan 8.210 nan 0.000 0.413 89 Q N 1.222 120.969 119.800 -0.088 0.000 2.079 89 Q HA -0.247 4.089 4.340 -0.006 0.000 0.200 89 Q C 2.141 178.114 176.000 -0.045 0.000 0.974 89 Q CA 1.725 57.483 55.803 -0.075 0.000 0.840 89 Q CB -0.386 28.289 28.738 -0.104 0.000 0.898 89 Q HN 0.479 nan 8.270 nan 0.000 0.430 90 Q N -0.554 119.227 119.800 -0.031 0.000 2.096 90 Q HA -0.138 4.198 4.340 -0.006 0.000 0.204 90 Q C 1.926 177.929 176.000 0.005 0.000 0.982 90 Q CA 1.681 57.492 55.803 0.013 0.000 0.850 90 Q CB -0.047 28.721 28.738 0.050 0.000 0.901 90 Q HN 0.528 nan 8.270 nan 0.000 0.422 91 L N -0.487 120.725 121.223 -0.017 0.000 2.162 91 L HA -0.043 4.293 4.340 -0.006 0.000 0.205 91 L C 2.550 179.411 176.870 -0.014 0.000 1.086 91 L CA 1.456 56.287 54.840 -0.015 0.000 0.778 91 L CB -0.346 41.700 42.059 -0.021 0.000 0.928 91 L HN 0.364 nan 8.230 nan 0.000 0.446 92 T N -4.917 109.625 114.554 -0.021 0.000 3.040 92 T HA 0.051 4.398 4.350 -0.006 0.000 0.252 92 T C 1.166 175.882 174.700 0.027 0.000 1.064 92 T CA -0.327 61.770 62.100 -0.005 0.000 1.110 92 T CB 0.205 69.063 68.868 -0.016 0.000 0.921 92 T HN 0.099 nan 8.240 nan 0.000 0.480 93 R N 0.397 120.910 120.500 0.022 0.000 3.863 93 R HA -0.159 4.177 4.340 -0.006 0.000 0.313 93 R C 0.879 177.260 176.300 0.135 0.000 1.202 93 R CA 0.885 57.015 56.100 0.049 0.000 0.852 93 R CB -2.415 27.927 30.300 0.070 0.000 1.292 93 R HN 0.718 nan 8.270 nan 0.000 0.519 94 A N -0.311 122.580 122.820 0.118 0.000 2.431 94 A HA 0.169 4.485 4.320 -0.006 0.000 0.239 94 A C 0.881 178.560 177.584 0.158 0.000 1.230 94 A CA 0.838 53.013 52.037 0.231 0.000 0.928 94 A CB 0.466 19.555 19.000 0.149 0.000 1.006 94 A HN 0.293 nan 8.150 nan 0.000 0.520 95 T N -2.545 112.014 114.554 0.008 0.000 3.585 95 T HA 0.338 4.685 4.350 -0.006 0.000 0.252 95 T C -1.867 172.738 174.700 -0.159 0.000 1.382 95 T CA -1.001 61.065 62.100 -0.057 0.000 1.584 95 T CB 0.930 69.767 68.868 -0.052 0.000 0.892 95 T HN 0.099 nan 8.240 nan 0.000 0.671 96 P HA 0.015 nan 4.420 nan 0.000 0.226 96 P C -0.206 176.922 177.300 -0.288 0.000 1.153 96 P CA 0.514 63.404 63.100 -0.350 0.000 0.777 96 P CB 0.236 31.576 31.700 -0.601 0.000 0.794 97 N N -0.300 118.264 118.700 -0.227 0.000 2.319 97 N HA 0.332 5.068 4.740 -0.006 0.000 0.305 97 N C -0.825 174.602 175.510 -0.137 0.000 1.103 97 N CA -0.618 52.313 53.050 -0.199 0.000 0.815 97 N CB 2.659 41.070 38.487 -0.127 0.000 1.288 97 N HN -0.242 nan 8.380 nan 0.000 0.493 98 V N 0.771 120.598 119.914 -0.145 0.000 2.581 98 V HA 0.391 4.507 4.120 -0.006 0.000 0.303 98 V C 0.097 176.272 176.094 0.135 0.000 1.041 98 V CA -0.672 61.612 62.300 -0.027 0.000 0.907 98 V CB 1.864 33.674 31.823 -0.022 0.000 0.994 98 V HN 0.596 nan 8.190 nan 0.000 0.442 99 S N 5.107 120.875 115.700 0.114 0.000 2.457 99 S HA 0.653 5.119 4.470 -0.006 0.000 0.289 99 S C -0.363 174.462 174.600 0.376 0.000 1.163 99 S CA -0.453 57.886 58.200 0.231 0.000 1.078 99 S CB 0.607 63.931 63.200 0.207 0.000 0.987 99 S HN 0.460 nan 8.310 nan 0.000 0.482 100 L N 3.214 124.667 121.223 0.384 0.000 2.344 100 L HA 0.523 4.859 4.340 -0.006 0.000 0.272 100 L C 0.037 177.148 176.870 0.402 0.000 1.035 100 L CA -0.772 54.302 54.840 0.390 0.000 0.807 100 L CB 0.879 43.046 42.059 0.179 0.000 1.237 100 L HN 0.572 nan 8.230 nan 0.000 0.442 101 H N 3.125 122.400 119.070 0.341 0.000 2.609 101 H HA 0.473 5.025 4.556 -0.007 0.000 0.344 101 H C -1.085 174.234 175.328 -0.015 0.000 1.040 101 H CA -0.537 55.543 56.048 0.053 0.000 1.216 101 H CB 1.842 31.527 29.762 -0.129 0.000 1.529 101 H HN 0.230 nan 8.280 nan 0.000 0.519 102 I N 6.756 127.352 120.570 0.045 0.000 2.441 102 I HA 0.194 4.360 4.170 -0.006 0.000 0.295 102 I C -1.621 174.516 176.117 0.033 0.000 0.994 102 I CA -2.631 58.701 61.300 0.053 0.000 1.144 102 I CB 1.823 39.823 38.000 0.001 0.000 1.314 102 I HN 0.451 nan 8.210 nan 0.000 0.445 103 P HA -0.040 nan 4.420 nan 0.000 0.249 103 P C 1.128 178.543 177.300 0.192 0.000 1.229 103 P CA 0.510 63.662 63.100 0.087 0.000 0.788 103 P CB 0.202 31.952 31.700 0.083 0.000 1.072 104 W N 1.898 123.250 121.300 0.087 0.000 2.318 104 W HA -0.120 4.536 4.660 -0.006 0.000 0.313 104 W C 1.058 177.628 176.519 0.085 0.000 1.221 104 W CA 1.147 58.539 57.345 0.078 0.000 1.266 104 W CB -1.752 27.760 29.460 0.087 0.000 1.150 104 W HN 0.118 nan 8.180 nan 0.000 0.496 105 D N -0.312 120.287 120.400 0.332 0.000 2.358 105 D HA 0.019 4.655 4.640 -0.006 0.000 0.224 105 D C 0.401 176.745 176.300 0.073 0.000 1.123 105 D CA 0.087 54.193 54.000 0.177 0.000 0.833 105 D CB -0.246 40.666 40.800 0.186 0.000 0.946 105 D HN 0.075 nan 8.370 nan 0.000 0.505 106 K N 1.237 121.694 120.400 0.095 0.000 2.484 106 K HA 0.279 4.595 4.320 -0.006 0.000 0.280 106 K C -0.411 176.218 176.600 0.049 0.000 1.013 106 K CA 0.099 56.419 56.287 0.056 0.000 1.029 106 K CB 0.367 32.910 32.500 0.071 0.000 0.902 106 K HN 0.065 nan 8.250 nan 0.000 0.481 107 A N 3.359 126.200 122.820 0.034 0.000 2.540 107 A HA 0.174 4.491 4.320 -0.006 0.000 0.291 107 A C -1.633 175.999 177.584 0.080 0.000 1.083 107 A CA -0.866 51.222 52.037 0.086 0.000 0.650 107 A CB 0.734 19.786 19.000 0.087 0.000 1.292 107 A HN 0.744 nan 8.150 nan 0.000 0.435 108 D N 0.695 121.173 120.400 0.130 0.000 2.412 108 D HA 0.202 4.838 4.640 -0.006 0.000 0.257 108 D C -1.465 174.882 176.300 0.078 0.000 1.217 108 D CA -1.053 53.002 54.000 0.092 0.000 0.897 108 D CB 0.994 41.855 40.800 0.100 0.000 1.132 108 D HN 0.081 nan 8.370 nan 0.000 0.493 109 P HA -0.171 nan 4.420 nan 0.000 0.216 109 P C 1.056 178.368 177.300 0.021 0.000 1.150 109 P CA 1.496 64.588 63.100 -0.015 0.000 0.843 109 P CB 0.269 31.952 31.700 -0.028 0.000 0.787 110 K N -0.328 120.100 120.400 0.045 0.000 2.097 110 K HA -0.144 4.172 4.320 -0.006 0.000 0.206 110 K C 2.012 178.671 176.600 0.098 0.000 1.049 110 K CA 1.257 57.580 56.287 0.060 0.000 0.933 110 K CB -0.277 32.250 32.500 0.045 0.000 0.717 110 K HN 0.316 nan 8.250 nan 0.000 0.442 111 E N 0.866 121.147 120.200 0.134 0.000 2.107 111 E HA -0.122 4.224 4.350 -0.006 0.000 0.191 111 E C 2.128 178.934 176.600 0.343 0.000 0.982 111 E CA 0.694 57.217 56.400 0.205 0.000 0.809 111 E CB -0.064 29.775 29.700 0.230 0.000 0.756 111 E HN 0.219 nan 8.360 nan 0.000 0.459 112 L N 1.054 122.442 121.223 0.275 0.000 2.017 112 L HA -0.224 4.112 4.340 -0.006 0.000 0.208 112 L C 2.627 179.668 176.870 0.285 0.000 1.073 112 L CA 1.318 56.278 54.840 0.200 0.000 0.745 112 L CB -0.364 41.631 42.059 -0.108 0.000 0.894 112 L HN 0.039 nan 8.230 nan 0.000 0.432 113 K N 0.488 121.002 120.400 0.191 0.000 2.063 113 K HA -0.165 4.151 4.320 -0.006 0.000 0.208 113 K C 2.014 178.752 176.600 0.230 0.000 1.048 113 K CA 1.582 58.033 56.287 0.273 0.000 0.928 113 K CB -0.288 32.303 32.500 0.152 0.000 0.713 113 K HN 0.240 nan 8.250 nan 0.000 0.442 114 A N 0.692 123.616 122.820 0.174 0.000 1.902 114 A HA -0.154 4.163 4.320 -0.006 0.000 0.217 114 A C 2.183 179.850 177.584 0.138 0.000 1.181 114 A CA 1.859 53.972 52.037 0.126 0.000 0.623 114 A CB -0.616 18.440 19.000 0.093 0.000 0.818 114 A HN 0.345 nan 8.150 nan 0.000 0.443 115 R N 0.073 120.702 120.500 0.214 0.000 2.075 115 R HA -0.020 4.316 4.340 -0.006 0.000 0.232 115 R C 2.153 178.546 176.300 0.155 0.000 1.126 115 R CA 1.927 58.157 56.100 0.216 0.000 0.963 115 R CB -1.402 29.131 30.300 0.388 0.000 0.858 115 R HN 0.369 nan 8.270 nan 0.000 0.435 116 G N 0.444 109.361 108.800 0.196 0.000 2.459 116 G HA2 -0.269 3.688 3.960 -0.006 0.000 0.217 116 G HA3 -0.269 3.688 3.960 -0.006 0.000 0.217 116 G C 1.016 175.897 174.900 -0.032 0.000 1.183 116 G CA 1.053 46.163 45.100 0.016 0.000 0.776 116 G HN 0.360 nan 8.290 nan 0.000 0.552 117 D N 1.107 121.523 120.400 0.027 0.000 2.123 117 D HA -0.085 4.551 4.640 -0.006 0.000 0.196 117 D C 2.795 179.080 176.300 -0.025 0.000 0.992 117 D CA 1.324 55.321 54.000 -0.004 0.000 0.833 117 D CB -0.505 40.310 40.800 0.026 0.000 0.954 117 D HN 0.325 nan 8.370 nan 0.000 0.455 118 A N 0.394 123.211 122.820 -0.005 0.000 1.972 118 A HA -0.078 4.239 4.320 -0.006 0.000 0.219 118 A C 2.273 179.820 177.584 -0.062 0.000 1.169 118 A CA 0.826 52.847 52.037 -0.027 0.000 0.635 118 A CB -0.539 18.460 19.000 -0.001 0.000 0.810 118 A HN 0.230 nan 8.150 nan 0.000 0.446 119 L N -1.527 119.665 121.223 -0.051 0.000 2.567 119 L HA 0.230 4.566 4.340 -0.006 0.000 0.225 119 L C 1.496 178.301 176.870 -0.108 0.000 1.119 119 L CA 0.496 55.291 54.840 -0.074 0.000 0.871 119 L CB -0.091 41.944 42.059 -0.040 0.000 1.036 119 L HN 0.554 nan 8.230 nan 0.000 0.459 120 G N 1.003 109.736 108.800 -0.112 0.000 2.171 120 G HA2 -0.239 3.717 3.960 -0.006 0.000 0.238 120 G HA3 -0.239 3.717 3.960 -0.006 0.000 0.238 120 G C -0.208 174.593 174.900 -0.166 0.000 1.039 120 G CA -0.177 44.847 45.100 -0.127 0.000 0.759 120 G HN 0.202 nan 8.290 nan 0.000 0.501 121 L N -0.437 120.665 121.223 -0.201 0.000 2.354 121 L HA 0.847 5.183 4.340 -0.006 0.000 0.269 121 L C 0.972 177.587 176.870 -0.426 0.000 1.005 121 L CA -0.574 54.084 54.840 -0.302 0.000 0.819 121 L CB 2.034 43.901 42.059 -0.319 0.000 1.311 121 L HN 0.241 nan 8.230 nan 0.000 0.423 122 G N 0.338 108.861 108.800 -0.462 0.000 2.887 122 G HA2 0.738 4.694 3.960 -0.006 0.000 0.277 122 G HA3 0.738 4.694 3.960 -0.006 0.000 0.277 122 G C -1.587 172.889 174.900 -0.707 0.000 1.346 122 G CA -0.387 44.436 45.100 -0.461 0.000 1.058 122 G HN 0.254 nan 8.290 nan 0.000 0.535 123 F N -0.052 119.876 119.950 -0.036 0.000 2.529 123 F HA 0.376 4.899 4.527 -0.006 0.000 0.320 123 F C 0.342 176.117 175.800 -0.041 0.000 1.118 123 F CA -0.887 57.098 58.000 -0.024 0.000 0.915 123 F CB 2.228 41.225 39.000 -0.005 0.000 1.161 123 F HN 0.355 nan 8.300 nan 0.000 0.445 124 D N 1.169 121.656 120.400 0.144 0.000 2.430 124 D HA 0.512 5.148 4.640 -0.006 0.000 0.285 124 D C -0.097 176.239 176.300 0.061 0.000 1.210 124 D CA -0.239 53.805 54.000 0.074 0.000 1.080 124 D CB 1.334 42.186 40.800 0.086 0.000 1.134 124 D HN 0.618 nan 8.370 nan 0.000 0.562 125 A N 0.654 123.509 122.820 0.060 0.000 2.531 125 A HA 0.148 4.464 4.320 -0.006 0.000 0.236 125 A C 0.635 178.267 177.584 0.080 0.000 1.062 125 A CA 0.104 52.154 52.037 0.021 0.000 0.760 125 A CB 0.026 19.119 19.000 0.155 0.000 0.995 125 A HN 0.417 nan 8.150 nan 0.000 0.501 126 M N 2.079 121.692 119.600 0.022 0.000 2.228 126 M HA 0.203 4.679 4.480 -0.006 0.000 0.326 126 M C 0.062 176.377 176.300 0.026 0.000 1.122 126 M CA 0.209 55.540 55.300 0.051 0.000 1.161 126 M CB 0.156 32.797 32.600 0.069 0.000 1.437 126 M HN 0.670 nan 8.290 nan 0.000 0.465 127 N N 0.858 119.507 118.700 -0.086 0.000 2.399 127 N HA 0.314 5.050 4.740 -0.006 0.000 0.284 127 N C -0.936 174.347 175.510 -0.378 0.000 1.025 127 N CA -0.229 52.642 53.050 -0.298 0.000 0.885 127 N CB 1.878 39.933 38.487 -0.720 0.000 1.339 127 N HN 0.627 nan 8.380 nan 0.000 0.487 128 S N 1.491 117.095 115.700 -0.160 0.000 2.632 128 S HA 0.363 4.829 4.470 -0.006 0.000 0.271 128 S C -0.037 174.604 174.600 0.068 0.000 1.260 128 S CA -0.714 57.495 58.200 0.015 0.000 1.010 128 S CB 1.602 64.835 63.200 0.055 0.000 0.965 128 S HN 0.556 nan 8.310 nan 0.000 0.534 129 N N 0.724 119.473 118.700 0.082 0.000 2.617 129 N HA 0.252 4.988 4.740 -0.006 0.000 0.263 129 N C -0.595 174.431 175.510 -0.806 0.000 1.074 129 N CA -0.389 52.324 53.050 -0.561 0.000 0.841 129 N CB 1.285 39.264 38.487 -0.846 0.000 1.221 129 N HN 0.847 nan 8.380 nan 0.000 0.529 130 T N 0.037 114.178 114.554 -0.689 0.000 3.331 130 T HA 0.222 4.568 4.350 -0.006 0.000 0.282 130 T C 0.423 174.733 174.700 -0.651 0.000 1.010 130 T CA -0.491 61.061 62.100 -0.914 0.000 0.928 130 T CB -1.203 67.033 68.868 -1.053 0.000 1.154 130 T HN 0.262 nan 8.240 nan 0.000 0.516 131 F N 0.462 120.238 119.950 -0.289 0.000 2.661 131 F HA 0.653 5.176 4.527 -0.006 0.000 0.306 131 F C 0.144 175.932 175.800 -0.019 0.000 1.094 131 F CA -1.104 56.781 58.000 -0.192 0.000 1.254 131 F CB -0.219 38.631 39.000 -0.251 0.000 1.040 131 F HN 0.302 nan 8.300 nan 0.000 0.562 132 S N -1.240 114.392 115.700 -0.113 0.000 2.550 132 S HA 0.469 4.935 4.470 -0.006 0.000 0.270 132 S C -1.699 172.926 174.600 0.042 0.000 1.145 132 S CA -0.948 57.267 58.200 0.026 0.000 0.852 132 S CB 2.055 65.276 63.200 0.035 0.000 1.119 132 S HN 0.015 nan 8.310 nan 0.000 0.465 133 D N 1.324 121.746 120.400 0.038 0.000 2.225 133 D HA 0.681 5.317 4.640 -0.006 0.000 0.248 133 D C 0.080 176.363 176.300 -0.029 0.000 1.096 133 D CA 0.040 54.023 54.000 -0.028 0.000 0.863 133 D CB 1.698 42.455 40.800 -0.072 0.000 1.156 133 D HN 0.848 nan 8.370 nan 0.000 0.450 134 A N 3.034 125.822 122.820 -0.054 0.000 2.294 134 A HA 0.675 4.992 4.320 -0.006 0.000 0.330 134 A C -2.362 175.200 177.584 -0.038 0.000 1.133 134 A CA -1.379 50.643 52.037 -0.026 0.000 0.836 134 A CB 0.325 19.311 19.000 -0.024 0.000 1.190 134 A HN 0.321 nan 8.150 nan 0.000 0.492 135 P HA 0.327 nan 4.420 nan 0.000 0.268 135 P C 0.893 178.172 177.300 -0.036 0.000 1.205 135 P CA 1.733 64.819 63.100 -0.022 0.000 0.771 135 P CB 0.644 32.342 31.700 -0.003 0.000 0.858 136 G N 1.105 109.875 108.800 -0.049 0.000 2.162 136 G HA2 -0.306 3.651 3.960 -0.006 0.000 0.260 136 G HA3 -0.306 3.651 3.960 -0.006 0.000 0.260 136 G C 0.265 175.112 174.900 -0.088 0.000 0.976 136 G CA -0.165 44.900 45.100 -0.059 0.000 0.655 136 G HN 0.635 nan 8.290 nan 0.000 0.533 137 Q N -0.019 119.713 119.800 -0.114 0.000 2.289 137 Q HA 0.574 4.910 4.340 -0.006 0.000 0.273 137 Q C 1.730 177.600 176.000 -0.216 0.000 1.029 137 Q CA 0.464 56.167 55.803 -0.166 0.000 0.896 137 Q CB 0.745 29.349 28.738 -0.223 0.000 1.182 137 Q HN 0.644 nan 8.270 nan 0.000 0.385 138 A N 5.008 127.673 122.820 -0.258 0.000 1.969 138 A HA -0.076 4.240 4.320 -0.006 0.000 0.218 138 A C 0.134 177.299 177.584 -0.699 0.000 1.169 138 A CA 1.062 52.833 52.037 -0.443 0.000 0.635 138 A CB 0.063 18.780 19.000 -0.471 0.000 0.810 138 A HN 0.758 nan 8.150 nan 0.000 0.445 139 H N -1.057 117.879 119.070 -0.223 0.000 2.679 139 H HA 0.417 4.969 4.556 -0.007 0.000 0.360 139 H C -0.813 174.263 175.328 -0.419 0.000 1.105 139 H CA -0.561 55.326 56.048 -0.268 0.000 1.196 139 H CB 1.578 31.179 29.762 -0.268 0.000 1.636 139 H HN 0.191 nan 8.280 nan 0.000 0.531 140 S N 1.348 116.934 115.700 -0.189 0.000 2.584 140 S HA 0.123 4.589 4.470 -0.006 0.000 0.273 140 S C 0.019 174.507 174.600 -0.187 0.000 1.311 140 S CA -0.404 57.654 58.200 -0.237 0.000 1.034 140 S CB 0.267 63.411 63.200 -0.094 0.000 0.939 140 S HN 0.451 nan 8.310 nan 0.000 0.513 141 Y N 2.683 122.979 120.300 -0.005 0.000 2.532 141 Y HA 0.296 4.842 4.550 -0.006 0.000 0.283 141 Y C 1.804 177.713 175.900 0.014 0.000 1.181 141 Y CA -0.442 57.676 58.100 0.029 0.000 1.256 141 Y CB -0.466 37.975 38.460 -0.031 0.000 1.112 141 Y HN 0.731 nan 8.280 nan 0.000 0.521 142 K N 0.025 120.447 120.400 0.035 0.000 2.074 142 K HA -0.220 4.096 4.320 -0.006 0.000 0.209 142 K C 0.270 176.710 176.600 -0.268 0.000 1.048 142 K CA 1.905 58.066 56.287 -0.210 0.000 0.926 142 K CB -0.181 32.025 32.500 -0.490 0.000 0.713 142 K HN 0.308 nan 8.250 nan 0.000 0.444 143 Y N -0.159 120.243 120.300 0.170 0.000 2.571 143 Y HA 0.351 4.897 4.550 -0.006 0.000 0.275 143 Y C 0.591 176.475 175.900 -0.026 0.000 1.179 143 Y CA 0.133 58.247 58.100 0.023 0.000 1.242 143 Y CB 0.990 39.385 38.460 -0.109 0.000 1.126 143 Y HN 0.311 nan 8.280 nan 0.000 0.524 144 G N -0.691 108.262 108.800 0.255 0.000 2.354 144 G HA2 0.221 4.178 3.960 -0.006 0.000 0.582 144 G HA3 0.221 4.178 3.960 -0.006 0.000 0.582 144 G C -0.026 175.090 174.900 0.360 0.000 1.316 144 G CA -0.238 44.993 45.100 0.217 0.000 0.995 144 G HN 0.293 nan 8.290 nan 0.000 0.573 145 S N -1.259 114.545 115.700 0.173 0.000 4.163 145 S HA 0.346 4.812 4.470 -0.006 0.000 0.164 145 S C 1.995 176.641 174.600 0.077 0.000 0.896 145 S CA 0.580 58.812 58.200 0.054 0.000 1.125 145 S CB -0.236 62.666 63.200 -0.496 0.000 1.698 145 S HN 0.904 nan 8.310 nan 0.000 0.817 146 L N 2.809 124.032 121.223 0.000 0.000 2.353 146 L HA 0.078 4.414 4.340 -0.006 0.000 0.220 146 L C 2.090 179.019 176.870 0.099 0.000 1.133 146 L CA 1.443 56.292 54.840 0.015 0.000 0.798 146 L CB -0.469 41.556 42.059 -0.056 0.000 0.922 146 L HN 0.715 nan 8.230 nan 0.000 0.445 147 S N -3.309 112.492 115.700 0.169 0.000 2.650 147 S HA 0.052 4.518 4.470 -0.006 0.000 0.240 147 S C 0.668 175.365 174.600 0.162 0.000 1.007 147 S CA -0.607 57.704 58.200 0.184 0.000 0.984 147 S CB -0.275 63.056 63.200 0.220 0.000 0.910 147 S HN 0.293 nan 8.310 nan 0.000 0.509 148 H N 2.939 122.062 119.070 0.088 0.000 2.948 148 H HA 0.056 4.608 4.556 -0.007 0.000 0.351 148 H C 1.630 176.993 175.328 0.058 0.000 1.079 148 H CA 1.681 57.785 56.048 0.094 0.000 1.407 148 H CB 1.455 31.285 29.762 0.114 0.000 1.373 148 H HN 0.456 nan 8.280 nan 0.000 0.605 149 T N 1.130 115.738 114.554 0.090 0.000 2.881 149 T HA -0.182 4.164 4.350 -0.006 0.000 0.270 149 T C 0.963 175.778 174.700 0.192 0.000 1.068 149 T CA 0.795 62.960 62.100 0.109 0.000 1.131 149 T CB -0.100 68.768 68.868 0.001 0.000 0.871 149 T HN 0.448 nan 8.240 nan 0.000 0.479 150 N N 1.159 120.104 118.700 0.408 0.000 2.411 150 N HA 0.518 5.254 4.740 -0.006 0.000 0.259 150 N C 1.129 176.625 175.510 -0.022 0.000 1.103 150 N CA 0.350 53.465 53.050 0.108 0.000 0.954 150 N CB 1.003 39.472 38.487 -0.030 0.000 1.085 150 N HN 0.227 nan 8.380 nan 0.000 0.485 151 A N 4.078 126.876 122.820 -0.037 0.000 1.917 151 A HA -0.178 4.138 4.320 -0.006 0.000 0.219 151 A C 2.103 179.616 177.584 -0.118 0.000 1.182 151 A CA 2.036 54.041 52.037 -0.054 0.000 0.633 151 A CB -1.191 17.785 19.000 -0.039 0.000 0.819 151 A HN 0.780 nan 8.150 nan 0.000 0.448 152 A N -1.246 121.447 122.820 -0.212 0.000 1.972 152 A HA -0.073 4.243 4.320 -0.006 0.000 0.219 152 A C 2.273 179.601 177.584 -0.427 0.000 1.169 152 A CA 2.253 54.103 52.037 -0.312 0.000 0.635 152 A CB -1.125 17.622 19.000 -0.422 0.000 0.810 152 A HN 0.456 nan 8.150 nan 0.000 0.446 153 T N -0.381 113.858 114.554 -0.524 0.000 2.812 153 T HA -0.094 4.252 4.350 -0.006 0.000 0.264 153 T C 2.040 176.705 174.700 -0.058 0.000 1.042 153 T CA 1.317 63.199 62.100 -0.363 0.000 1.140 153 T CB -0.201 68.311 68.868 -0.594 0.000 0.870 153 T HN 0.518 nan 8.240 nan 0.000 0.445 154 R N 1.139 121.612 120.500 -0.045 0.000 2.075 154 R HA 0.068 4.404 4.340 -0.006 0.000 0.232 154 R C 2.846 179.147 176.300 0.003 0.000 1.126 154 R CA 1.231 57.340 56.100 0.015 0.000 0.963 154 R CB -0.513 29.794 30.300 0.012 0.000 0.858 154 R HN 0.356 nan 8.270 nan 0.000 0.435 155 A N 1.290 124.096 122.820 -0.023 0.000 1.902 155 A HA -0.255 4.061 4.320 -0.006 0.000 0.217 155 A C 2.147 179.746 177.584 0.026 0.000 1.181 155 A CA 1.466 53.496 52.037 -0.011 0.000 0.623 155 A CB -0.542 18.444 19.000 -0.023 0.000 0.818 155 A HN 0.389 nan 8.150 nan 0.000 0.443 156 Q N -0.564 119.269 119.800 0.054 0.000 2.084 156 Q HA -0.136 4.200 4.340 -0.006 0.000 0.202 156 Q C 2.159 178.258 176.000 0.165 0.000 0.978 156 Q CA 1.625 57.496 55.803 0.112 0.000 0.844 156 Q CB -0.335 28.487 28.738 0.141 0.000 0.898 156 Q HN 0.601 nan 8.270 nan 0.000 0.426 157 A N -0.105 122.822 122.820 0.179 0.000 1.930 157 A HA -0.099 4.217 4.320 -0.006 0.000 0.217 157 A C 2.182 179.804 177.584 0.062 0.000 1.175 157 A CA 1.313 53.416 52.037 0.111 0.000 0.627 157 A CB -0.558 18.429 19.000 -0.022 0.000 0.815 157 A HN 0.304 nan 8.150 nan 0.000 0.443 158 V N 0.256 120.185 119.914 0.025 0.000 2.295 158 V HA -0.200 3.916 4.120 -0.006 0.000 0.246 158 V C 2.557 178.647 176.094 -0.006 0.000 1.049 158 V CA 2.086 64.379 62.300 -0.013 0.000 1.024 158 V CB -0.654 31.150 31.823 -0.031 0.000 0.648 158 V HN 0.499 nan 8.190 nan 0.000 0.447 159 E N -0.514 119.698 120.200 0.019 0.000 2.110 159 E HA -0.223 4.123 4.350 -0.006 0.000 0.193 159 E C 2.128 178.737 176.600 0.014 0.000 0.988 159 E CA 1.321 57.726 56.400 0.008 0.000 0.804 159 E CB -0.533 29.181 29.700 0.023 0.000 0.745 159 E HN 0.757 nan 8.360 nan 0.000 0.458 160 H N 1.104 120.163 119.070 -0.018 0.000 2.321 160 H HA -0.041 4.511 4.556 -0.007 0.000 0.300 160 H C 1.686 176.981 175.328 -0.055 0.000 1.087 160 H CA 1.286 57.318 56.048 -0.028 0.000 1.319 160 H CB 0.240 29.994 29.762 -0.013 0.000 1.379 160 H HN 0.107 nan 8.280 nan 0.000 0.501 161 N N 0.695 119.305 118.700 -0.150 0.000 2.166 161 N HA -0.115 4.621 4.740 -0.006 0.000 0.186 161 N C 2.320 177.712 175.510 -0.197 0.000 1.019 161 N CA 0.903 53.835 53.050 -0.196 0.000 0.856 161 N CB -0.018 38.422 38.487 -0.079 0.000 0.993 161 N HN 0.388 nan 8.380 nan 0.000 0.426 162 L N 1.165 122.295 121.223 -0.154 0.000 2.141 162 L HA -0.122 4.214 4.340 -0.006 0.000 0.209 162 L C 2.465 179.227 176.870 -0.180 0.000 1.094 162 L CA 0.966 55.709 54.840 -0.162 0.000 0.763 162 L CB -0.348 41.636 42.059 -0.124 0.000 0.908 162 L HN 0.232 nan 8.230 nan 0.000 0.437 163 E N -0.211 119.881 120.200 -0.180 0.000 2.106 163 E HA -0.218 4.128 4.350 -0.006 0.000 0.192 163 E C 2.319 178.806 176.600 -0.188 0.000 0.984 163 E CA 1.392 57.692 56.400 -0.166 0.000 0.806 163 E CB 0.038 29.652 29.700 -0.143 0.000 0.750 163 E HN 0.529 nan 8.360 nan 0.000 0.458 164 C N 0.395 119.541 119.300 -0.258 0.000 2.425 164 C HA -0.072 4.384 4.460 -0.006 0.000 0.277 164 C C 2.525 177.465 174.990 -0.084 0.000 1.280 164 C CA 0.356 59.259 59.018 -0.191 0.000 1.744 164 C CB -0.812 26.787 27.740 -0.236 0.000 1.989 164 C HN 0.498 nan 8.230 nan 0.000 0.491 165 I N 0.657 121.137 120.570 -0.151 0.000 2.252 165 I HA -0.160 4.006 4.170 -0.006 0.000 0.245 165 I C 2.596 178.537 176.117 -0.292 0.000 1.102 165 I CA 1.292 62.413 61.300 -0.297 0.000 1.385 165 I CB -0.532 37.166 38.000 -0.503 0.000 1.064 165 I HN 0.319 nan 8.210 nan 0.000 0.414 166 E N 0.888 120.957 120.200 -0.219 0.000 2.077 166 E HA -0.188 4.158 4.350 -0.006 0.000 0.193 166 E C 2.281 178.829 176.600 -0.087 0.000 0.989 166 E CA 1.350 57.653 56.400 -0.162 0.000 0.800 166 E CB -0.256 29.366 29.700 -0.131 0.000 0.746 166 E HN 0.533 nan 8.360 nan 0.000 0.452 167 I N 0.569 121.099 120.570 -0.068 0.000 2.226 167 I HA -0.188 3.978 4.170 -0.006 0.000 0.245 167 I C 2.481 178.595 176.117 -0.005 0.000 1.100 167 I CA 1.299 62.571 61.300 -0.047 0.000 1.374 167 I CB -0.574 37.389 38.000 -0.062 0.000 1.057 167 I HN 0.116 nan 8.210 nan 0.000 0.413 168 G N 0.883 109.742 108.800 0.099 0.000 2.418 168 G HA2 -0.218 3.738 3.960 -0.006 0.000 0.217 168 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.217 168 G C 1.724 176.825 174.900 0.336 0.000 1.158 168 G CA 0.477 45.733 45.100 0.261 0.000 0.771 168 G HN 0.314 nan 8.290 nan 0.000 0.545 169 K N 0.589 121.160 120.400 0.285 0.000 2.103 169 K HA -0.005 4.311 4.320 -0.006 0.000 0.207 169 K C 2.855 179.523 176.600 0.114 0.000 1.048 169 K CA 1.052 57.466 56.287 0.212 0.000 0.930 169 K CB -0.195 32.285 32.500 -0.033 0.000 0.716 169 K HN 0.289 nan 8.250 nan 0.000 0.444 170 A N 1.655 124.504 122.820 0.048 0.000 2.014 170 A HA -0.066 4.250 4.320 -0.006 0.000 0.218 170 A C 1.997 179.596 177.584 0.025 0.000 1.163 170 A CA 1.002 53.052 52.037 0.022 0.000 0.652 170 A CB -0.517 18.478 19.000 -0.007 0.000 0.808 170 A HN 0.471 nan 8.150 nan 0.000 0.449 171 I N -5.877 114.696 120.570 0.004 0.000 3.968 171 I HA 0.504 4.670 4.170 -0.006 0.000 0.328 171 I C 1.135 177.339 176.117 0.145 0.000 1.290 171 I CA 0.729 62.022 61.300 -0.013 0.000 1.163 171 I CB 0.414 38.188 38.000 -0.376 0.000 1.024 171 I HN 0.308 nan 8.210 nan 0.000 0.413 172 G N 1.333 110.213 108.800 0.133 0.000 2.184 172 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.206 172 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.206 172 G C 0.333 175.281 174.900 0.080 0.000 0.995 172 G CA 0.175 45.356 45.100 0.135 0.000 0.651 172 G HN 0.509 nan 8.290 nan 0.000 0.511 173 S N -0.150 115.588 115.700 0.062 0.000 2.584 173 S HA 0.586 5.053 4.470 -0.006 0.000 0.270 173 S C 0.951 175.237 174.600 -0.524 0.000 1.346 173 S CA 0.393 58.507 58.200 -0.143 0.000 1.018 173 S CB 0.741 63.873 63.200 -0.113 0.000 0.899 173 S HN 0.199 nan 8.310 nan 0.000 0.542 174 K N 1.233 121.072 120.400 -0.935 0.000 2.564 174 K HA 0.460 4.776 4.320 -0.006 0.000 0.201 174 K C -0.579 175.022 176.600 -1.665 0.000 1.086 174 K CA -0.005 55.388 56.287 -1.490 0.000 1.062 174 K CB 0.774 32.895 32.500 -0.631 0.000 0.849 174 K HN 0.599 nan 8.250 nan 0.000 0.529 175 A N 0.737 122.599 122.820 -1.596 0.000 2.608 175 A HA 0.656 4.973 4.320 -0.006 0.000 0.292 175 A C -2.127 175.182 177.584 -0.459 0.000 1.066 175 A CA -0.733 50.772 52.037 -0.886 0.000 0.676 175 A CB 1.287 19.864 19.000 -0.704 0.000 1.277 175 A HN 0.088 nan 8.150 nan 0.000 0.413 176 L N 0.801 121.917 121.223 -0.177 0.000 2.381 176 L HA 0.779 5.115 4.340 -0.006 0.000 0.274 176 L C -0.504 176.362 176.870 -0.007 0.000 0.988 176 L CA 0.262 55.114 54.840 0.020 0.000 0.824 176 L CB 2.062 44.207 42.059 0.144 0.000 1.263 176 L HN 0.648 nan 8.230 nan 0.000 0.410 177 T N 4.568 119.180 114.554 0.096 0.000 2.767 177 T HA 0.579 4.925 4.350 -0.006 0.000 0.284 177 T C -0.608 174.184 174.700 0.154 0.000 0.973 177 T CA -0.302 61.915 62.100 0.196 0.000 0.996 177 T CB 1.211 70.231 68.868 0.253 0.000 0.927 177 T HN 0.371 nan 8.240 nan 0.000 0.456 178 V N 4.492 124.517 119.914 0.184 0.000 2.326 178 V HA 0.436 4.552 4.120 -0.006 0.000 0.281 178 V C -0.902 175.348 176.094 0.259 0.000 1.015 178 V CA -0.994 61.414 62.300 0.179 0.000 0.823 178 V CB 0.796 32.699 31.823 0.133 0.000 1.009 178 V HN 0.908 nan 8.190 nan 0.000 0.436 179 W N 8.332 129.701 121.300 0.115 0.000 2.600 179 W HA 0.817 5.474 4.660 -0.005 0.000 0.325 179 W C -0.769 175.832 176.519 0.137 0.000 1.034 179 W CA -0.929 56.477 57.345 0.100 0.000 1.226 179 W CB 1.334 30.835 29.460 0.069 0.000 1.379 179 W HN 0.600 nan 8.180 nan 0.000 0.466 180 I N 2.799 122.813 120.570 -0.927 0.000 3.002 180 I HA 0.808 4.975 4.170 -0.006 0.000 0.310 180 I C 0.765 176.131 176.117 -1.251 0.000 1.087 180 I CA -1.166 59.619 61.300 -0.858 0.000 1.017 180 I CB 2.144 39.955 38.000 -0.315 0.000 1.226 180 I HN 0.641 nan 8.210 nan 0.000 0.443 181 G N 1.248 109.547 108.800 -0.834 0.000 2.939 181 G HA2 0.045 4.001 3.960 -0.006 0.000 0.210 181 G HA3 0.045 4.001 3.960 -0.006 0.000 0.210 181 G C 0.004 174.726 174.900 -0.297 0.000 1.160 181 G CA -0.118 44.636 45.100 -0.577 0.000 0.770 181 G HN 0.740 nan 8.290 nan 0.000 0.543 182 D N 0.912 121.174 120.400 -0.231 0.000 2.752 182 D HA 0.389 5.026 4.640 -0.006 0.000 0.225 182 D C 0.913 177.159 176.300 -0.091 0.000 1.104 182 D CA 1.826 55.764 54.000 -0.102 0.000 0.832 182 D CB 0.685 41.459 40.800 -0.044 0.000 1.161 182 D HN 0.394 nan 8.370 nan 0.000 0.505 183 G N 0.101 108.884 108.800 -0.028 0.000 2.335 183 G HA2 0.523 4.479 3.960 -0.006 0.000 0.291 183 G HA3 0.523 4.479 3.960 -0.006 0.000 0.291 183 G C -1.369 173.575 174.900 0.073 0.000 1.261 183 G CA -0.226 44.874 45.100 0.001 0.000 0.871 183 G HN 0.725 nan 8.290 nan 0.000 0.491 184 S N -1.244 114.531 115.700 0.125 0.000 2.595 184 S HA 0.662 5.128 4.470 -0.006 0.000 0.281 184 S C -0.323 174.401 174.600 0.206 0.000 1.117 184 S CA -0.771 57.555 58.200 0.210 0.000 0.873 184 S CB 2.283 65.671 63.200 0.314 0.000 1.108 184 S HN 0.410 nan 8.310 nan 0.000 0.477 185 N N -0.475 118.318 118.700 0.155 0.000 2.220 185 N HA 0.414 5.150 4.740 -0.006 0.000 0.195 185 N C -1.447 173.798 175.510 -0.441 0.000 1.123 185 N CA 0.171 53.166 53.050 -0.093 0.000 0.874 185 N CB 0.077 38.426 38.487 -0.230 0.000 0.995 185 N HN 0.590 nan 8.380 nan 0.000 0.498 186 F N 0.033 120.050 119.950 0.112 0.000 2.578 186 F HA 0.458 4.982 4.527 -0.006 0.000 0.311 186 F C -2.271 173.317 175.800 -0.354 0.000 1.094 186 F CA -2.471 55.455 58.000 -0.123 0.000 0.923 186 F CB 1.937 40.900 39.000 -0.063 0.000 1.230 186 F HN -0.298 nan 8.300 nan 0.000 0.450 187 P HA 0.223 nan 4.420 nan 0.000 0.268 187 P C 0.683 177.879 177.300 -0.172 0.000 1.204 187 P CA 1.184 63.930 63.100 -0.591 0.000 0.768 187 P CB 0.764 32.164 31.700 -0.499 0.000 0.842 188 G N 2.372 111.093 108.800 -0.131 0.000 2.320 188 G HA2 -0.366 3.590 3.960 -0.006 0.000 0.242 188 G HA3 -0.366 3.590 3.960 -0.006 0.000 0.242 188 G C 1.298 176.150 174.900 -0.079 0.000 1.033 188 G CA 0.509 45.538 45.100 -0.118 0.000 0.620 188 G HN 0.564 nan 8.290 nan 0.000 0.517 189 Q N 0.650 120.448 119.800 -0.003 0.000 2.112 189 Q HA 0.039 4.375 4.340 -0.006 0.000 0.206 189 Q C 0.928 176.927 176.000 -0.002 0.000 0.987 189 Q CA 1.849 57.670 55.803 0.031 0.000 0.858 189 Q CB -0.108 28.728 28.738 0.164 0.000 0.905 189 Q HN 0.564 nan 8.270 nan 0.000 0.420 190 S N 0.660 116.360 115.700 -0.001 0.000 2.566 190 S HA 0.290 4.756 4.470 -0.006 0.000 0.298 190 S C -0.843 173.665 174.600 -0.153 0.000 1.083 190 S CA -0.913 57.275 58.200 -0.020 0.000 0.978 190 S CB 1.554 64.810 63.200 0.094 0.000 1.073 190 S HN 0.332 nan 8.310 nan 0.000 0.491 191 N N 1.931 120.575 118.700 -0.093 0.000 2.437 191 N HA 0.146 4.883 4.740 -0.006 0.000 0.243 191 N C 0.356 175.874 175.510 0.013 0.000 1.041 191 N CA -0.331 52.645 53.050 -0.122 0.000 0.940 191 N CB 0.057 38.516 38.487 -0.046 0.000 1.133 191 N HN 0.381 nan 8.380 nan 0.000 0.506 192 F N 2.172 122.149 119.950 0.045 0.000 2.063 192 F HA -0.211 4.313 4.527 -0.006 0.000 0.298 192 F C 2.441 178.278 175.800 0.061 0.000 1.109 192 F CA 1.338 59.355 58.000 0.028 0.000 1.212 192 F CB -1.227 37.772 39.000 -0.001 0.000 0.973 192 F HN 0.423 nan 8.300 nan 0.000 0.480 193 T N -0.279 114.437 114.554 0.269 0.000 2.737 193 T HA -0.131 4.216 4.350 -0.006 0.000 0.265 193 T C 2.127 176.935 174.700 0.179 0.000 1.038 193 T CA 1.259 63.490 62.100 0.218 0.000 1.144 193 T CB -0.208 68.751 68.868 0.151 0.000 0.866 193 T HN 0.165 nan 8.240 nan 0.000 0.434 194 R N 0.826 121.398 120.500 0.120 0.000 2.096 194 R HA 0.053 4.390 4.340 -0.006 0.000 0.235 194 R C 2.787 179.153 176.300 0.111 0.000 1.127 194 R CA 1.176 57.327 56.100 0.085 0.000 0.968 194 R CB -0.411 29.917 30.300 0.046 0.000 0.861 194 R HN 0.348 nan 8.270 nan 0.000 0.440 195 A N 0.747 123.653 122.820 0.143 0.000 1.902 195 A HA -0.193 4.123 4.320 -0.006 0.000 0.217 195 A C 1.898 179.627 177.584 0.242 0.000 1.181 195 A CA 1.075 53.209 52.037 0.161 0.000 0.623 195 A CB -0.571 18.523 19.000 0.156 0.000 0.818 195 A HN 0.330 nan 8.150 nan 0.000 0.443 196 F N 1.132 121.120 119.950 0.063 0.000 2.186 196 F HA -0.070 4.453 4.527 -0.006 0.000 0.299 196 F C 2.100 177.964 175.800 0.107 0.000 1.090 196 F CA 1.649 59.679 58.000 0.051 0.000 1.307 196 F CB -0.522 38.478 39.000 -0.000 0.000 1.019 196 F HN 0.401 nan 8.300 nan 0.000 0.489 197 E N -0.157 120.057 120.200 0.024 0.000 2.077 197 E HA -0.212 4.134 4.350 -0.006 0.000 0.193 197 E C 2.344 178.919 176.600 -0.041 0.000 0.989 197 E CA 1.181 57.524 56.400 -0.094 0.000 0.800 197 E CB -0.203 29.478 29.700 -0.031 0.000 0.746 197 E HN 0.405 nan 8.360 nan 0.000 0.452 198 R N 0.033 120.557 120.500 0.041 0.000 2.083 198 R HA -0.194 4.143 4.340 -0.006 0.000 0.237 198 R C 2.394 178.729 176.300 0.060 0.000 1.137 198 R CA 1.625 57.753 56.100 0.048 0.000 0.951 198 R CB -0.550 29.798 30.300 0.081 0.000 0.851 198 R HN 0.286 nan 8.270 nan 0.000 0.434 199 Y N 1.731 122.026 120.300 -0.008 0.000 2.128 199 Y HA -0.213 4.333 4.550 -0.006 0.000 0.284 199 Y C 2.007 177.863 175.900 -0.073 0.000 1.154 199 Y CA 1.537 59.637 58.100 -0.000 0.000 1.149 199 Y CB -0.332 38.190 38.460 0.103 0.000 0.976 199 Y HN -0.047 nan 8.280 nan 0.000 0.505 200 L N -0.801 120.405 121.223 -0.028 0.000 2.083 200 L HA -0.241 4.095 4.340 -0.006 0.000 0.209 200 L C 2.841 179.596 176.870 -0.193 0.000 1.083 200 L CA 1.652 56.380 54.840 -0.185 0.000 0.752 200 L CB -0.813 41.050 42.059 -0.328 0.000 0.899 200 L HN 0.267 nan 8.230 nan 0.000 0.433 201 S N -0.454 115.159 115.700 -0.145 0.000 2.368 201 S HA -0.141 4.325 4.470 -0.006 0.000 0.224 201 S C 2.120 176.645 174.600 -0.125 0.000 1.029 201 S CA 1.163 59.293 58.200 -0.117 0.000 0.988 201 S CB -0.043 63.110 63.200 -0.079 0.000 0.838 201 S HN 0.434 nan 8.310 nan 0.000 0.462 202 A N 1.785 124.517 122.820 -0.148 0.000 1.898 202 A HA 0.024 4.340 4.320 -0.006 0.000 0.216 202 A C 2.251 179.719 177.584 -0.193 0.000 1.181 202 A CA 1.504 53.449 52.037 -0.153 0.000 0.620 202 A CB -0.568 18.340 19.000 -0.154 0.000 0.819 202 A HN 0.538 nan 8.150 nan 0.000 0.442 203 M N -0.388 119.026 119.600 -0.309 0.000 2.229 203 M HA -0.080 4.396 4.480 -0.006 0.000 0.264 203 M C 2.435 178.667 176.300 -0.115 0.000 1.063 203 M CA 1.369 56.509 55.300 -0.267 0.000 1.114 203 M CB -1.342 31.010 32.600 -0.412 0.000 1.387 203 M HN 0.506 nan 8.290 nan 0.000 0.420 204 A N 0.079 122.823 122.820 -0.126 0.000 1.933 204 A HA -0.162 4.154 4.320 -0.006 0.000 0.218 204 A C 2.077 179.650 177.584 -0.018 0.000 1.175 204 A CA 1.515 53.501 52.037 -0.085 0.000 0.628 204 A CB -0.557 18.373 19.000 -0.118 0.000 0.814 204 A HN 0.550 nan 8.150 nan 0.000 0.444 205 E N -0.363 119.810 120.200 -0.046 0.000 2.072 205 E HA -0.105 4.241 4.350 -0.006 0.000 0.191 205 E C 1.862 178.447 176.600 -0.026 0.000 0.985 205 E CA 1.066 57.445 56.400 -0.035 0.000 0.801 205 E CB -0.247 29.422 29.700 -0.052 0.000 0.750 205 E HN 0.697 nan 8.360 nan 0.000 0.452 206 I N 0.371 120.919 120.570 -0.036 0.000 2.286 206 I HA -0.279 3.887 4.170 -0.006 0.000 0.248 206 I C 2.363 178.470 176.117 -0.017 0.000 1.115 206 I CA 1.010 62.282 61.300 -0.046 0.000 1.392 206 I CB -0.254 37.710 38.000 -0.059 0.000 1.065 206 I HN 0.141 nan 8.210 nan 0.000 0.418 207 Y N 2.148 122.392 120.300 -0.093 0.000 2.224 207 Y HA -0.252 4.294 4.550 -0.007 0.000 0.289 207 Y C 2.391 178.244 175.900 -0.079 0.000 1.146 207 Y CA 1.645 59.701 58.100 -0.075 0.000 1.182 207 Y CB -0.144 38.277 38.460 -0.064 0.000 0.983 207 Y HN 0.003 nan 8.280 nan 0.000 0.524 208 K N -0.869 119.599 120.400 0.114 0.000 2.280 208 K HA -0.094 4.222 4.320 -0.006 0.000 0.202 208 K C 1.996 178.545 176.600 -0.085 0.000 1.047 208 K CA 0.992 57.298 56.287 0.031 0.000 0.942 208 K CB -0.429 32.083 32.500 0.020 0.000 0.739 208 K HN 0.437 nan 8.250 nan 0.000 0.457 209 G N 0.790 109.514 108.800 -0.127 0.000 2.985 209 G HA2 0.054 4.010 3.960 -0.006 0.000 0.209 209 G HA3 0.054 4.010 3.960 -0.006 0.000 0.209 209 G C 0.325 175.047 174.900 -0.297 0.000 1.165 209 G CA -0.257 44.728 45.100 -0.192 0.000 0.776 209 G HN 0.032 nan 8.290 nan 0.000 0.541 210 L N 1.431 122.464 121.223 -0.316 0.000 2.367 210 L HA 0.272 4.608 4.340 -0.006 0.000 0.275 210 L C -1.951 174.711 176.870 -0.346 0.000 1.129 210 L CA -1.762 52.847 54.840 -0.385 0.000 0.839 210 L CB 1.205 43.032 42.059 -0.386 0.000 1.133 210 L HN -0.083 nan 8.230 nan 0.000 0.453 211 P HA 0.028 nan 4.420 nan 0.000 0.271 211 P C 0.008 177.251 177.300 -0.093 0.000 1.244 211 P CA -0.356 62.578 63.100 -0.275 0.000 0.793 211 P CB 0.582 32.057 31.700 -0.375 0.000 0.984 212 D N 0.366 120.740 120.400 -0.043 0.000 2.182 212 D HA -0.154 4.483 4.640 -0.006 0.000 0.201 212 D C 0.790 177.113 176.300 0.038 0.000 0.986 212 D CA 1.491 55.485 54.000 -0.009 0.000 0.847 212 D CB -0.418 40.381 40.800 -0.002 0.000 0.942 212 D HN 0.533 nan 8.370 nan 0.000 0.467 213 D N -1.439 119.022 120.400 0.102 0.000 2.427 213 D HA -0.014 4.622 4.640 -0.006 0.000 0.224 213 D C -0.108 176.283 176.300 0.152 0.000 1.157 213 D CA -0.493 53.571 54.000 0.106 0.000 0.828 213 D CB -0.618 40.231 40.800 0.083 0.000 0.974 213 D HN 0.072 nan 8.370 nan 0.000 0.498 214 W N 1.027 122.248 121.300 -0.131 0.000 2.576 214 W HA 0.520 5.176 4.660 -0.006 0.000 0.360 214 W C 0.411 176.797 176.519 -0.223 0.000 1.109 214 W CA -0.720 56.521 57.345 -0.174 0.000 1.237 214 W CB 1.339 30.682 29.460 -0.194 0.000 1.369 214 W HN -0.392 nan 8.180 nan 0.000 0.609 215 K N 1.469 121.781 120.400 -0.146 0.000 2.385 215 K HA 0.632 4.948 4.320 -0.006 0.000 0.248 215 K C -1.789 174.538 176.600 -0.455 0.000 0.955 215 K CA -1.306 54.793 56.287 -0.314 0.000 0.816 215 K CB 2.417 34.640 32.500 -0.462 0.000 1.250 215 K HN 0.220 nan 8.250 nan 0.000 0.434 216 L N 2.752 123.779 121.223 -0.327 0.000 2.319 216 L HA 0.502 4.838 4.340 -0.006 0.000 0.281 216 L C -1.753 175.070 176.870 -0.078 0.000 1.005 216 L CA -0.298 54.423 54.840 -0.197 0.000 0.828 216 L CB 0.600 42.657 42.059 -0.002 0.000 1.227 216 L HN 0.376 nan 8.230 nan 0.000 0.415 217 F N 3.063 123.053 119.950 0.067 0.000 2.388 217 F HA 0.566 5.089 4.527 -0.006 0.000 0.358 217 F C 0.568 176.415 175.800 0.078 0.000 1.122 217 F CA -0.930 57.100 58.000 0.049 0.000 1.056 217 F CB 1.486 40.481 39.000 -0.008 0.000 1.155 217 F HN 0.529 nan 8.300 nan 0.000 0.461 218 S N 1.637 117.520 115.700 0.305 0.000 2.541 218 S HA 0.539 5.005 4.470 -0.006 0.000 0.283 218 S C -0.581 174.149 174.600 0.217 0.000 1.196 218 S CA -0.868 57.495 58.200 0.272 0.000 1.062 218 S CB 2.024 65.411 63.200 0.312 0.000 1.009 218 S HN 0.692 nan 8.310 nan 0.000 0.502 219 E N 2.459 122.786 120.200 0.212 0.000 2.165 219 E HA 0.215 4.561 4.350 -0.006 0.000 0.266 219 E C -0.368 176.358 176.600 0.210 0.000 0.889 219 E CA -0.794 55.682 56.400 0.127 0.000 0.756 219 E CB 0.660 30.413 29.700 0.088 0.000 1.131 219 E HN 0.927 nan 8.360 nan 0.000 0.411 220 H N 3.156 122.319 119.070 0.155 0.000 2.505 220 H HA 0.523 5.075 4.556 -0.007 0.000 0.355 220 H C -0.867 174.565 175.328 0.173 0.000 1.179 220 H CA -0.709 55.410 56.048 0.118 0.000 1.343 220 H CB 1.396 31.194 29.762 0.059 0.000 1.501 220 H HN 0.397 nan 8.280 nan 0.000 0.569 221 K N 2.643 123.144 120.400 0.169 0.000 2.571 221 K HA 0.103 4.419 4.320 -0.006 0.000 0.252 221 K C 0.649 177.227 176.600 -0.037 0.000 0.956 221 K CA -0.586 55.676 56.287 -0.042 0.000 0.822 221 K CB 2.545 34.933 32.500 -0.186 0.000 1.286 221 K HN 0.704 nan 8.250 nan 0.000 0.439 222 M N 3.346 122.924 119.600 -0.036 0.000 2.117 222 M HA -0.109 4.367 4.480 -0.006 0.000 0.262 222 M C -0.446 175.939 176.300 0.141 0.000 1.065 222 M CA 1.708 57.052 55.300 0.074 0.000 1.114 222 M CB 0.116 32.841 32.600 0.209 0.000 1.361 222 M HN 0.622 nan 8.290 nan 0.000 0.408 223 Y N -2.573 117.691 120.300 -0.059 0.000 2.713 223 Y HA 0.493 5.039 4.550 -0.007 0.000 0.335 223 Y C -1.145 174.708 175.900 -0.078 0.000 1.222 223 Y CA -1.679 56.383 58.100 -0.062 0.000 1.061 223 Y CB 0.297 38.784 38.460 0.045 0.000 1.314 223 Y HN 0.302 nan 8.280 nan 0.000 0.453 224 E N 1.708 121.812 120.200 -0.160 0.000 7.468 224 E HA -0.109 4.238 4.350 -0.006 0.000 0.282 224 E C -2.402 174.107 176.600 -0.152 0.000 0.816 224 E CA 0.466 56.714 56.400 -0.253 0.000 1.479 224 E CB 0.162 29.809 29.700 -0.088 0.000 0.915 224 E HN 0.658 nan 8.360 nan 0.000 0.264 225 P HA -0.010 nan 4.420 nan 0.000 0.233 225 P C 0.236 177.012 177.300 -0.873 0.000 1.167 225 P CA 1.089 63.930 63.100 -0.432 0.000 0.770 225 P CB 0.224 31.833 31.700 -0.151 0.000 0.837 226 A N -0.185 122.285 122.820 -0.583 0.000 2.320 226 A HA 0.411 4.728 4.320 -0.006 0.000 0.287 226 A C -0.071 177.216 177.584 -0.495 0.000 1.181 226 A CA -0.366 51.402 52.037 -0.449 0.000 0.831 226 A CB -0.302 18.589 19.000 -0.181 0.000 1.102 226 A HN -0.037 nan 8.150 nan 0.000 0.513 227 F N 1.171 121.163 119.950 0.070 0.000 2.639 227 F HA 0.204 4.727 4.527 -0.007 0.000 0.302 227 F C 0.897 176.730 175.800 0.055 0.000 1.097 227 F CA 0.060 58.093 58.000 0.056 0.000 1.294 227 F CB -0.127 38.878 39.000 0.009 0.000 1.027 227 F HN 0.804 nan 8.300 nan 0.000 0.550 228 Y N -0.058 120.281 120.300 0.066 0.000 2.817 228 Y HA 0.358 4.904 4.550 -0.007 0.000 0.257 228 Y C 0.574 176.511 175.900 0.063 0.000 1.055 228 Y CA 0.308 58.439 58.100 0.052 0.000 1.319 228 Y CB 0.197 38.681 38.460 0.040 0.000 1.481 228 Y HN -0.146 nan 8.280 nan 0.000 0.471 229 S N -0.129 115.438 115.700 -0.223 0.000 2.569 229 S HA 0.756 5.223 4.470 -0.006 0.000 0.280 229 S C -1.017 173.511 174.600 -0.120 0.000 1.111 229 S CA -0.416 57.611 58.200 -0.288 0.000 0.887 229 S CB 2.214 65.306 63.200 -0.180 0.000 1.095 229 S HN 0.121 nan 8.310 nan 0.000 0.476 230 T N 2.122 116.574 114.554 -0.170 0.000 2.886 230 T HA 0.420 4.766 4.350 -0.006 0.000 0.292 230 T C 1.183 175.765 174.700 -0.197 0.000 1.012 230 T CA -0.619 61.394 62.100 -0.145 0.000 0.982 230 T CB 1.641 70.434 68.868 -0.125 0.000 1.018 230 T HN 0.513 nan 8.240 nan 0.000 0.451 231 V N 2.796 122.601 119.914 -0.182 0.000 2.233 231 V HA -0.075 4.041 4.120 -0.006 0.000 0.247 231 V C 1.244 177.098 176.094 -0.400 0.000 1.050 231 V CA 1.456 63.607 62.300 -0.249 0.000 1.010 231 V CB -0.194 31.517 31.823 -0.187 0.000 0.637 231 V HN 0.714 nan 8.190 nan 0.000 0.444 232 V N 3.117 122.820 119.914 -0.350 0.000 2.184 232 V HA 0.132 4.248 4.120 -0.006 0.000 0.262 232 V C 1.270 177.281 176.094 -0.138 0.000 1.209 232 V CA -0.027 62.097 62.300 -0.294 0.000 1.070 232 V CB 0.564 32.255 31.823 -0.219 0.000 1.244 232 V HN 0.624 nan 8.190 nan 0.000 0.477 233 Q N 2.190 121.873 119.800 -0.195 0.000 2.212 233 Q HA -0.009 4.328 4.340 -0.006 0.000 0.199 233 Q C 0.183 176.163 176.000 -0.033 0.000 0.950 233 Q CA 1.504 57.237 55.803 -0.118 0.000 0.863 233 Q CB 0.467 29.086 28.738 -0.197 0.000 0.944 233 Q HN 0.777 nan 8.270 nan 0.000 0.465 234 D N -1.994 118.340 120.400 -0.110 0.000 2.752 234 D HA 0.037 4.673 4.640 -0.006 0.000 0.313 234 D C 0.832 176.860 176.300 -0.452 0.000 1.225 234 D CA -0.504 53.393 54.000 -0.171 0.000 0.976 234 D CB -0.891 39.840 40.800 -0.115 0.000 1.443 234 D HN 0.139 nan 8.370 nan 0.000 0.515 235 W N 0.566 121.394 121.300 -0.787 0.000 2.465 235 W HA 0.126 4.783 4.660 -0.006 0.000 0.268 235 W C 0.981 177.371 176.519 -0.215 0.000 1.242 235 W CA 1.021 58.003 57.345 -0.606 0.000 1.248 235 W CB -1.218 28.005 29.460 -0.396 0.000 1.118 235 W HN 0.444 nan 8.180 nan 0.000 0.587 236 G N 1.530 109.735 108.800 -0.990 0.000 2.404 236 G HA2 -0.235 3.721 3.960 -0.006 0.000 0.215 236 G HA3 -0.235 3.721 3.960 -0.006 0.000 0.215 236 G C 1.499 176.148 174.900 -0.419 0.000 1.174 236 G CA 1.908 46.455 45.100 -0.921 0.000 0.780 236 G HN 0.285 nan 8.290 nan 0.000 0.537 237 T N 0.951 115.280 114.554 -0.375 0.000 2.821 237 T HA -0.112 4.234 4.350 -0.006 0.000 0.267 237 T C 2.341 176.968 174.700 -0.122 0.000 1.046 237 T CA 1.184 63.082 62.100 -0.335 0.000 1.139 237 T CB -0.243 68.308 68.868 -0.529 0.000 0.871 237 T HN 0.211 nan 8.240 nan 0.000 0.454 238 N N 0.519 119.178 118.700 -0.069 0.000 2.120 238 N HA -0.104 4.632 4.740 -0.006 0.000 0.188 238 N C 1.560 177.147 175.510 0.128 0.000 1.024 238 N CA 1.105 54.215 53.050 0.099 0.000 0.852 238 N CB -0.440 38.175 38.487 0.215 0.000 1.003 238 N HN 0.477 nan 8.380 nan 0.000 0.424 239 Y N 1.176 121.477 120.300 0.002 0.000 2.181 239 Y HA -0.057 4.489 4.550 -0.007 0.000 0.288 239 Y C 2.122 178.036 175.900 0.023 0.000 1.146 239 Y CA 1.371 59.485 58.100 0.022 0.000 1.164 239 Y CB -0.451 37.959 38.460 -0.083 0.000 0.982 239 Y HN 0.041 nan 8.280 nan 0.000 0.515 240 L N -0.421 120.767 121.223 -0.059 0.000 2.079 240 L HA -0.260 4.077 4.340 -0.006 0.000 0.210 240 L C 2.392 179.254 176.870 -0.014 0.000 1.081 240 L CA 1.516 56.331 54.840 -0.041 0.000 0.752 240 L CB -0.590 41.559 42.059 0.150 0.000 0.896 240 L HN 0.292 nan 8.230 nan 0.000 0.433 241 I N -0.245 120.394 120.570 0.115 0.000 2.133 241 I HA -0.278 3.888 4.170 -0.006 0.000 0.238 241 I C 2.843 178.969 176.117 0.014 0.000 1.074 241 I CA 1.248 62.637 61.300 0.148 0.000 1.342 241 I CB -0.517 37.669 38.000 0.309 0.000 1.053 241 I HN 0.184 nan 8.210 nan 0.000 0.404 242 A N 0.093 122.906 122.820 -0.012 0.000 1.883 242 A HA -0.313 4.004 4.320 -0.006 0.000 0.217 242 A C 2.241 179.744 177.584 -0.134 0.000 1.186 242 A CA 2.131 54.153 52.037 -0.025 0.000 0.624 242 A CB -0.725 18.290 19.000 0.025 0.000 0.822 242 A HN 0.426 nan 8.150 nan 0.000 0.444 243 Q N -0.495 119.103 119.800 -0.336 0.000 2.124 243 Q HA -0.104 4.232 4.340 -0.006 0.000 0.202 243 Q C 2.038 177.928 176.000 -0.183 0.000 0.977 243 Q CA 2.435 58.052 55.803 -0.311 0.000 0.850 243 Q CB -0.840 27.576 28.738 -0.537 0.000 0.901 243 Q HN 0.601 nan 8.270 nan 0.000 0.429 244 T N 0.509 114.957 114.554 -0.175 0.000 2.777 244 T HA -0.047 4.299 4.350 -0.006 0.000 0.266 244 T C 1.670 176.245 174.700 -0.209 0.000 1.040 244 T CA 1.244 63.249 62.100 -0.158 0.000 1.141 244 T CB -0.181 68.599 68.868 -0.146 0.000 0.868 244 T HN 0.219 nan 8.240 nan 0.000 0.444 245 L N 0.117 121.202 121.223 -0.231 0.000 2.056 245 L HA 0.215 4.551 4.340 -0.006 0.000 0.207 245 L C 1.512 177.956 176.870 -0.710 0.000 1.078 245 L CA 0.799 55.376 54.840 -0.437 0.000 0.749 245 L CB -0.653 41.240 42.059 -0.276 0.000 0.901 245 L HN 0.518 nan 8.230 nan 0.000 0.433 246 G N -2.320 106.285 108.800 -0.326 0.000 2.361 246 G HA2 -0.043 3.913 3.960 -0.006 0.000 0.331 246 G HA3 -0.043 3.913 3.960 -0.006 0.000 0.331 246 G C -2.586 172.388 174.900 0.124 0.000 1.324 246 G CA -0.547 44.460 45.100 -0.156 0.000 0.984 246 G HN -0.239 nan 8.290 nan 0.000 0.586 247 P HA -0.060 nan 4.420 nan 0.000 0.216 247 P C 1.561 178.989 177.300 0.213 0.000 1.150 247 P CA 1.668 64.877 63.100 0.182 0.000 0.843 247 P CB 0.045 31.835 31.700 0.151 0.000 0.787 248 K N -1.161 119.412 120.400 0.287 0.000 2.432 248 K HA 0.187 4.503 4.320 -0.006 0.000 0.196 248 K C 0.806 177.518 176.600 0.187 0.000 1.038 248 K CA 0.073 56.445 56.287 0.141 0.000 0.986 248 K CB 0.017 32.433 32.500 -0.140 0.000 0.782 248 K HN 0.080 nan 8.250 nan 0.000 0.485 249 A N 1.786 124.813 122.820 0.344 0.000 2.274 249 A HA 0.317 4.633 4.320 -0.006 0.000 0.309 249 A C -0.473 177.255 177.584 0.241 0.000 1.226 249 A CA -0.422 51.784 52.037 0.282 0.000 0.853 249 A CB 0.553 19.725 19.000 0.287 0.000 1.146 249 A HN 0.106 nan 8.150 nan 0.000 0.518 250 Q N 0.329 120.313 119.800 0.307 0.000 2.605 250 Q HA 0.508 4.844 4.340 -0.006 0.000 0.296 250 Q C -1.378 174.794 176.000 0.287 0.000 1.056 250 Q CA -0.833 55.152 55.803 0.304 0.000 0.778 250 Q CB 2.180 31.127 28.738 0.347 0.000 1.497 250 Q HN 0.766 nan 8.270 nan 0.000 0.443 251 C N 1.277 120.679 119.300 0.169 0.000 2.341 251 C HA 0.641 5.098 4.460 -0.006 0.000 0.338 251 C C -0.314 174.617 174.990 -0.100 0.000 1.257 251 C CA -0.690 58.401 59.018 0.121 0.000 1.883 251 C CB -0.033 27.829 27.740 0.204 0.000 2.334 251 C HN 0.644 nan 8.230 nan 0.000 0.524 252 L N 3.238 124.382 121.223 -0.132 0.000 2.282 252 L HA 0.671 5.007 4.340 -0.006 0.000 0.288 252 L C -0.693 175.965 176.870 -0.353 0.000 1.033 252 L CA -0.044 54.567 54.840 -0.382 0.000 0.807 252 L CB 1.026 42.845 42.059 -0.400 0.000 1.209 252 L HN 0.559 nan 8.230 nan 0.000 0.423 253 V N 4.409 124.059 119.914 -0.440 0.000 2.328 253 V HA 0.294 4.410 4.120 -0.006 0.000 0.278 253 V C -0.418 175.515 176.094 -0.269 0.000 1.021 253 V CA -0.571 61.562 62.300 -0.280 0.000 0.838 253 V CB 1.229 32.941 31.823 -0.185 0.000 0.999 253 V HN 0.653 nan 8.190 nan 0.000 0.447 254 D N 4.388 124.561 120.400 -0.379 0.000 2.329 254 D HA 0.301 4.938 4.640 -0.006 0.000 0.232 254 D C 1.134 177.333 176.300 -0.169 0.000 1.088 254 D CA -0.366 53.381 54.000 -0.421 0.000 0.835 254 D CB 1.764 41.916 40.800 -1.081 0.000 1.078 254 D HN 0.382 nan 8.370 nan 0.000 0.495 255 L N 2.888 124.113 121.223 0.005 0.000 2.089 255 L HA -0.146 4.190 4.340 -0.006 0.000 0.213 255 L C 2.103 179.104 176.870 0.218 0.000 1.079 255 L CA 1.587 56.518 54.840 0.153 0.000 0.758 255 L CB -0.303 41.829 42.059 0.122 0.000 0.891 255 L HN 0.471 nan 8.230 nan 0.000 0.433 256 G N -2.470 106.389 108.800 0.098 0.000 3.088 256 G HA2 -0.046 3.910 3.960 -0.006 0.000 0.212 256 G HA3 -0.046 3.910 3.960 -0.006 0.000 0.212 256 G C 0.827 175.850 174.900 0.205 0.000 1.173 256 G CA -0.246 44.949 45.100 0.158 0.000 0.779 256 G HN 0.534 nan 8.290 nan 0.000 0.540 257 H N -0.133 118.839 119.070 -0.163 0.000 2.507 257 H HA 0.188 4.740 4.556 -0.007 0.000 0.294 257 H C -0.025 175.054 175.328 -0.415 0.000 1.064 257 H CA -0.473 55.370 56.048 -0.341 0.000 1.138 257 H CB 0.380 29.872 29.762 -0.450 0.000 1.515 257 H HN 0.348 nan 8.280 nan 0.000 0.547 258 H N -0.051 119.138 119.070 0.198 0.000 2.670 258 H HA 0.443 4.995 4.556 -0.007 0.000 0.361 258 H C 0.083 175.517 175.328 0.177 0.000 1.169 258 H CA -0.846 55.318 56.048 0.193 0.000 1.198 258 H CB 1.570 31.431 29.762 0.165 0.000 1.700 258 H HN 0.223 nan 8.280 nan 0.000 0.542 259 A N 2.225 125.214 122.820 0.282 0.000 2.448 259 A HA 0.217 4.533 4.320 -0.006 0.000 0.239 259 A C -2.144 175.547 177.584 0.179 0.000 1.080 259 A CA -1.015 51.148 52.037 0.210 0.000 0.779 259 A CB -0.679 18.412 19.000 0.152 0.000 1.026 259 A HN 0.407 nan 8.150 nan 0.000 0.499 260 P HA 0.054 nan 4.420 nan 0.000 0.264 260 P C 0.013 177.365 177.300 0.085 0.000 1.183 260 P CA 0.653 63.821 63.100 0.113 0.000 0.763 260 P CB 0.212 31.970 31.700 0.096 0.000 0.807 261 N N -1.206 117.535 118.700 0.068 0.000 2.936 261 N HA -0.137 4.600 4.740 -0.006 0.000 0.236 261 N C -0.386 175.147 175.510 0.038 0.000 0.930 261 N CA 1.186 54.263 53.050 0.045 0.000 0.966 261 N CB -2.336 36.174 38.487 0.039 0.000 1.090 261 N HN 0.385 nan 8.380 nan 0.000 0.592 262 T N 1.687 116.275 114.554 0.057 0.000 2.946 262 T HA -0.040 4.306 4.350 -0.006 0.000 0.311 262 T C 0.791 175.473 174.700 -0.030 0.000 1.063 262 T CA -0.017 62.105 62.100 0.036 0.000 1.139 262 T CB 0.543 69.459 68.868 0.081 0.000 0.994 262 T HN 0.155 nan 8.240 nan 0.000 0.547 263 N N 3.010 121.676 118.700 -0.056 0.000 2.482 263 N HA 0.123 4.859 4.740 -0.006 0.000 0.242 263 N C 0.999 176.403 175.510 -0.177 0.000 1.100 263 N CA -0.185 52.807 53.050 -0.096 0.000 0.946 263 N CB 0.049 38.488 38.487 -0.080 0.000 1.227 263 N HN 0.553 nan 8.380 nan 0.000 0.508 264 I N 1.940 122.381 120.570 -0.215 0.000 2.353 264 I HA -0.227 3.939 4.170 -0.006 0.000 0.248 264 I C 2.223 178.190 176.117 -0.249 0.000 1.119 264 I CA 0.736 61.839 61.300 -0.328 0.000 1.417 264 I CB -0.026 37.774 38.000 -0.333 0.000 1.078 264 I HN 0.531 nan 8.210 nan 0.000 0.421 265 E N 1.557 121.646 120.200 -0.185 0.000 2.209 265 E HA -0.304 4.042 4.350 -0.006 0.000 0.196 265 E C 2.092 178.584 176.600 -0.180 0.000 0.993 265 E CA 1.436 57.739 56.400 -0.161 0.000 0.819 265 E CB -0.655 28.947 29.700 -0.164 0.000 0.745 265 E HN 0.585 nan 8.360 nan 0.000 0.477 266 M N 0.734 120.210 119.600 -0.206 0.000 2.200 266 M HA -0.034 4.442 4.480 -0.006 0.000 0.265 266 M C 2.236 178.317 176.300 -0.366 0.000 1.066 266 M CA 1.134 56.299 55.300 -0.226 0.000 1.127 266 M CB -0.024 32.465 32.600 -0.184 0.000 1.379 266 M HN 0.009 nan 8.290 nan 0.000 0.420 267 I N -0.295 119.979 120.570 -0.494 0.000 2.226 267 I HA -0.271 3.895 4.170 -0.006 0.000 0.245 267 I C 2.217 178.008 176.117 -0.543 0.000 1.100 267 I CA 1.025 61.819 61.300 -0.844 0.000 1.374 267 I CB -0.438 37.074 38.000 -0.813 0.000 1.057 267 I HN 0.148 nan 8.210 nan 0.000 0.413 268 V N 1.088 120.833 119.914 -0.281 0.000 2.287 268 V HA -0.337 3.780 4.120 -0.006 0.000 0.248 268 V C 2.728 178.751 176.094 -0.118 0.000 1.053 268 V CA 2.126 64.359 62.300 -0.112 0.000 1.027 268 V CB -1.051 30.811 31.823 0.064 0.000 0.646 268 V HN 0.516 nan 8.190 nan 0.000 0.447 269 A N -0.252 122.477 122.820 -0.152 0.000 1.902 269 A HA -0.203 4.113 4.320 -0.006 0.000 0.217 269 A C 2.362 179.874 177.584 -0.119 0.000 1.181 269 A CA 1.544 53.503 52.037 -0.130 0.000 0.623 269 A CB -0.462 18.462 19.000 -0.126 0.000 0.818 269 A HN 0.413 nan 8.150 nan 0.000 0.443 270 R N -0.422 119.961 120.500 -0.195 0.000 2.081 270 R HA -0.044 4.292 4.340 -0.006 0.000 0.235 270 R C 2.098 178.427 176.300 0.050 0.000 1.131 270 R CA 1.289 57.323 56.100 -0.109 0.000 0.960 270 R CB -0.971 29.083 30.300 -0.410 0.000 0.856 270 R HN 0.589 nan 8.270 nan 0.000 0.436 271 L N 0.288 121.480 121.223 -0.052 0.000 2.093 271 L HA -0.125 4.211 4.340 -0.006 0.000 0.208 271 L C 2.442 179.393 176.870 0.134 0.000 1.085 271 L CA 1.031 55.943 54.840 0.121 0.000 0.755 271 L CB -0.369 41.729 42.059 0.066 0.000 0.904 271 L HN 0.102 nan 8.230 nan 0.000 0.435 272 I N -0.615 119.966 120.570 0.019 0.000 2.252 272 I HA -0.315 3.851 4.170 -0.006 0.000 0.245 272 I C 2.693 178.763 176.117 -0.077 0.000 1.102 272 I CA 1.200 62.453 61.300 -0.079 0.000 1.385 272 I CB -0.276 37.559 38.000 -0.274 0.000 1.064 272 I HN 0.368 nan 8.210 nan 0.000 0.414 273 Q N 0.792 120.566 119.800 -0.043 0.000 2.135 273 Q HA -0.195 4.142 4.340 -0.006 0.000 0.204 273 Q C 1.406 177.249 176.000 -0.262 0.000 0.981 273 Q CA 1.784 57.501 55.803 -0.144 0.000 0.856 273 Q CB 0.044 28.720 28.738 -0.104 0.000 0.902 273 Q HN 0.475 nan 8.270 nan 0.000 0.425 274 F N -0.835 119.131 119.950 0.027 0.000 2.639 274 F HA 0.310 4.833 4.527 -0.007 0.000 0.300 274 F C 1.176 177.076 175.800 0.167 0.000 1.109 274 F CA 0.297 58.362 58.000 0.108 0.000 1.335 274 F CB 0.821 39.895 39.000 0.124 0.000 1.014 274 F HN 0.170 nan 8.300 nan 0.000 0.537 275 G N 0.844 109.760 108.800 0.195 0.000 2.283 275 G HA2 -0.321 3.635 3.960 -0.006 0.000 0.280 275 G HA3 -0.321 3.635 3.960 -0.006 0.000 0.280 275 G C 0.945 175.991 174.900 0.244 0.000 1.029 275 G CA 0.210 45.423 45.100 0.189 0.000 0.840 275 G HN 0.238 nan 8.290 nan 0.000 0.505 276 K N -0.871 119.698 120.400 0.282 0.000 2.537 276 K HA 0.285 4.602 4.320 -0.006 0.000 0.206 276 K C 0.471 177.184 176.600 0.188 0.000 1.041 276 K CA -0.565 55.882 56.287 0.267 0.000 1.090 276 K CB 0.664 33.379 32.500 0.358 0.000 0.833 276 K HN 0.395 nan 8.250 nan 0.000 0.493 277 L N 1.096 122.408 121.223 0.149 0.000 2.334 277 L HA 0.298 4.634 4.340 -0.006 0.000 0.286 277 L C 1.130 177.952 176.870 -0.080 0.000 1.108 277 L CA 0.210 55.056 54.840 0.010 0.000 0.875 277 L CB 0.760 42.867 42.059 0.081 0.000 1.246 277 L HN 0.222 nan 8.230 nan 0.000 0.439 278 G N 3.005 111.663 108.800 -0.236 0.000 2.396 278 G HA2 0.415 4.371 3.960 -0.006 0.000 0.214 278 G HA3 0.415 4.371 3.960 -0.006 0.000 0.214 278 G C 0.531 174.879 174.900 -0.920 0.000 1.166 278 G CA 0.668 45.479 45.100 -0.483 0.000 0.793 278 G HN 0.955 nan 8.290 nan 0.000 0.533 279 G N -1.931 106.296 108.800 -0.954 0.000 2.428 279 G HA2 0.479 4.435 3.960 -0.006 0.000 0.304 279 G HA3 0.479 4.435 3.960 -0.006 0.000 0.304 279 G C -1.947 172.408 174.900 -0.908 0.000 1.303 279 G CA -1.002 43.587 45.100 -0.852 0.000 0.825 279 G HN 0.050 nan 8.290 nan 0.000 0.484 280 F N -0.416 119.270 119.950 -0.440 0.000 2.577 280 F HA 0.593 5.117 4.527 -0.006 0.000 0.318 280 F C 0.124 175.714 175.800 -0.350 0.000 1.065 280 F CA -0.590 57.091 58.000 -0.532 0.000 0.929 280 F CB 2.594 41.008 39.000 -0.978 0.000 1.237 280 F HN 0.361 nan 8.300 nan 0.000 0.468 281 H N 2.102 120.990 119.070 -0.303 0.000 2.685 281 H HA 0.351 4.904 4.556 -0.006 0.000 0.307 281 H C -1.224 173.971 175.328 -0.222 0.000 1.017 281 H CA -0.735 55.201 56.048 -0.186 0.000 1.237 281 H CB 1.050 30.699 29.762 -0.188 0.000 1.409 281 H HN 0.342 nan 8.280 nan 0.000 0.488 282 F N 3.237 123.297 119.950 0.183 0.000 2.385 282 F HA 0.200 4.723 4.527 -0.006 0.000 0.336 282 F C 0.455 176.302 175.800 0.078 0.000 1.100 282 F CA -0.300 57.775 58.000 0.126 0.000 1.116 282 F CB 1.117 40.202 39.000 0.141 0.000 1.166 282 F HN 0.712 nan 8.300 nan 0.000 0.511 283 N N -0.536 118.332 118.700 0.280 0.000 3.717 283 N HA 0.300 5.036 4.740 -0.006 0.000 0.239 283 N C -2.261 173.343 175.510 0.157 0.000 1.388 283 N CA -0.984 52.169 53.050 0.172 0.000 0.828 283 N CB 0.917 39.466 38.487 0.103 0.000 1.468 283 N HN 0.306 nan 8.380 nan 0.000 0.445 284 D N -1.514 118.959 120.400 0.120 0.000 2.493 284 D HA 0.821 5.457 4.640 -0.006 0.000 0.239 284 D C -1.205 175.149 176.300 0.090 0.000 1.049 284 D CA -0.071 53.993 54.000 0.106 0.000 1.008 284 D CB 2.080 42.939 40.800 0.097 0.000 1.398 284 D HN 0.809 nan 8.370 nan 0.000 0.513 285 S N -0.184 115.560 115.700 0.073 0.000 2.615 285 S HA 0.414 4.880 4.470 -0.006 0.000 0.268 285 S C -0.072 174.525 174.600 -0.005 0.000 1.146 285 S CA -0.774 57.464 58.200 0.063 0.000 0.818 285 S CB 2.452 65.707 63.200 0.092 0.000 1.111 285 S HN 0.473 nan 8.310 nan 0.000 0.465 286 K N -0.969 119.378 120.400 -0.087 0.000 2.550 286 K HA 0.338 4.654 4.320 -0.006 0.000 0.205 286 K C 0.158 176.467 176.600 -0.484 0.000 1.429 286 K CA 0.006 56.082 56.287 -0.352 0.000 0.997 286 K CB 0.167 32.300 32.500 -0.611 0.000 1.328 286 K HN 0.661 nan 8.250 nan 0.000 0.546 287 Y N -0.615 119.746 120.300 0.101 0.000 2.583 287 Y HA 0.408 4.954 4.550 -0.007 0.000 0.270 287 Y C 1.468 177.463 175.900 0.158 0.000 1.113 287 Y CA 0.342 58.511 58.100 0.115 0.000 1.307 287 Y CB 0.152 38.675 38.460 0.105 0.000 1.369 287 Y HN 0.095 nan 8.280 nan 0.000 0.506 288 G N -1.022 107.976 108.800 0.329 0.000 3.291 288 G HA2 0.176 4.132 3.960 -0.006 0.000 0.173 288 G HA3 0.176 4.132 3.960 -0.006 0.000 0.173 288 G C -1.261 173.728 174.900 0.148 0.000 1.099 288 G CA -0.298 44.968 45.100 0.277 0.000 0.794 288 G HN -0.037 nan 8.290 nan 0.000 0.651 289 D N 0.680 121.105 120.400 0.042 0.000 2.688 289 D HA 0.216 4.852 4.640 -0.006 0.000 0.228 289 D C 0.554 176.892 176.300 0.064 0.000 1.116 289 D CA -0.325 53.691 54.000 0.028 0.000 1.023 289 D CB -0.012 40.721 40.800 -0.112 0.000 1.100 289 D HN 0.144 nan 8.370 nan 0.000 0.487 290 D N 0.973 121.439 120.400 0.109 0.000 2.219 290 D HA -0.134 4.503 4.640 -0.006 0.000 0.205 290 D C 0.341 176.689 176.300 0.081 0.000 0.970 290 D CA 0.514 54.585 54.000 0.119 0.000 0.851 290 D CB 0.010 40.905 40.800 0.158 0.000 0.943 290 D HN 0.401 nan 8.370 nan 0.000 0.488 291 D N -0.299 120.140 120.400 0.064 0.000 2.772 291 D HA -0.174 4.462 4.640 -0.006 0.000 0.233 291 D C 0.006 176.315 176.300 0.016 0.000 1.143 291 D CA 0.341 54.361 54.000 0.032 0.000 0.700 291 D CB -1.357 39.447 40.800 0.006 0.000 1.076 291 D HN 0.319 nan 8.370 nan 0.000 0.430 292 L N 0.063 121.322 121.223 0.059 0.000 2.468 292 L HA 0.212 4.549 4.340 -0.006 0.000 0.254 292 L C 0.959 177.884 176.870 0.093 0.000 1.171 292 L CA -0.614 54.270 54.840 0.073 0.000 0.809 292 L CB 0.382 42.495 42.059 0.090 0.000 1.155 292 L HN -0.189 nan 8.230 nan 0.000 0.473 293 D N 1.253 121.725 120.400 0.121 0.000 2.493 293 D HA 0.197 4.833 4.640 -0.006 0.000 0.240 293 D C 0.185 176.551 176.300 0.109 0.000 1.142 293 D CA 0.231 54.311 54.000 0.134 0.000 0.872 293 D CB 0.631 41.501 40.800 0.116 0.000 1.173 293 D HN 0.590 nan 8.370 nan 0.000 0.467 294 A N 2.190 125.079 122.820 0.116 0.000 2.567 294 A HA 0.413 4.729 4.320 -0.006 0.000 0.240 294 A C 1.696 179.332 177.584 0.086 0.000 1.053 294 A CA 0.473 52.580 52.037 0.116 0.000 0.755 294 A CB -0.337 18.732 19.000 0.114 0.000 0.978 294 A HN 1.004 nan 8.150 nan 0.000 0.507 295 G N 0.951 109.810 108.800 0.099 0.000 2.189 295 G HA2 -0.090 3.866 3.960 -0.006 0.000 0.267 295 G HA3 -0.090 3.866 3.960 -0.006 0.000 0.267 295 G C 1.120 176.068 174.900 0.081 0.000 0.975 295 G CA 1.209 46.365 45.100 0.093 0.000 0.644 295 G HN 2.094 nan 8.290 nan 0.000 0.537 296 A N -0.644 122.220 122.820 0.073 0.000 2.119 296 A HA 0.468 4.784 4.320 -0.006 0.000 0.217 296 A C 2.148 179.769 177.584 0.060 0.000 1.153 296 A CA 1.780 53.854 52.037 0.063 0.000 0.692 296 A CB -0.133 18.906 19.000 0.065 0.000 0.799 296 A HN 0.515 nan 8.150 nan 0.000 0.458 297 I N -1.589 119.020 120.570 0.064 0.000 3.443 297 I HA 0.151 4.318 4.170 -0.006 0.000 0.277 297 I C 0.284 176.434 176.117 0.055 0.000 1.169 297 I CA 0.729 62.058 61.300 0.048 0.000 1.419 297 I CB -0.677 37.342 38.000 0.032 0.000 1.331 297 I HN 0.211 nan 8.210 nan 0.000 0.458 298 E N 2.516 122.759 120.200 0.072 0.000 3.108 298 E HA 0.194 4.540 4.350 -0.006 0.000 0.228 298 E C -1.804 174.870 176.600 0.123 0.000 1.176 298 E CA -1.405 55.047 56.400 0.086 0.000 0.881 298 E CB 1.717 31.455 29.700 0.064 0.000 1.354 298 E HN 0.133 nan 8.360 nan 0.000 0.400 299 P HA -0.209 nan 4.420 nan 0.000 0.220 299 P C 1.187 178.651 177.300 0.273 0.000 1.148 299 P CA 0.960 64.197 63.100 0.228 0.000 0.803 299 P CB 0.244 32.101 31.700 0.261 0.000 0.782 300 Y N 1.896 122.174 120.300 -0.037 0.000 2.242 300 Y HA -0.103 4.444 4.550 -0.005 0.000 0.291 300 Y C 2.875 178.732 175.900 -0.071 0.000 1.137 300 Y CA 1.170 59.055 58.100 -0.358 0.000 1.181 300 Y CB -0.842 37.326 38.460 -0.488 0.000 0.989 300 Y HN -0.209 nan 8.280 nan 0.000 0.527 301 R N -0.308 120.181 120.500 -0.019 0.000 2.096 301 R HA -0.186 4.150 4.340 -0.006 0.000 0.235 301 R C 2.152 178.434 176.300 -0.031 0.000 1.127 301 R CA 1.680 57.735 56.100 -0.074 0.000 0.968 301 R CB -0.645 29.651 30.300 -0.006 0.000 0.861 301 R HN 0.413 nan 8.270 nan 0.000 0.440 302 L N 0.480 121.750 121.223 0.078 0.000 2.046 302 L HA -0.114 4.222 4.340 -0.006 0.000 0.208 302 L C 2.008 178.999 176.870 0.202 0.000 1.077 302 L CA 1.675 56.606 54.840 0.152 0.000 0.747 302 L CB -0.740 41.432 42.059 0.190 0.000 0.896 302 L HN 0.272 nan 8.230 nan 0.000 0.432 303 F N -0.414 119.554 119.950 0.030 0.000 2.134 303 F HA -0.193 4.331 4.527 -0.004 0.000 0.299 303 F C 1.998 177.751 175.800 -0.078 0.000 1.097 303 F CA 1.690 59.709 58.000 0.031 0.000 1.264 303 F CB -0.343 38.680 39.000 0.038 0.000 1.001 303 F HN 0.038 nan 8.300 nan 0.000 0.479 304 L N -0.488 120.528 121.223 -0.344 0.000 2.131 304 L HA -0.190 4.146 4.340 -0.006 0.000 0.210 304 L C 2.345 179.018 176.870 -0.328 0.000 1.092 304 L CA 0.747 55.311 54.840 -0.461 0.000 0.759 304 L CB -0.777 41.034 42.059 -0.414 0.000 0.903 304 L HN 0.090 nan 8.230 nan 0.000 0.435 305 V N -0.794 118.981 119.914 -0.233 0.000 2.323 305 V HA -0.246 3.870 4.120 -0.006 0.000 0.244 305 V C 2.188 178.089 176.094 -0.322 0.000 1.041 305 V CA 1.703 63.854 62.300 -0.249 0.000 1.025 305 V CB -0.497 31.168 31.823 -0.264 0.000 0.656 305 V HN 0.215 nan 8.190 nan 0.000 0.451 306 F N 0.949 120.762 119.950 -0.227 0.000 2.293 306 F HA -0.125 4.398 4.527 -0.006 0.000 0.300 306 F C 2.261 177.916 175.800 -0.242 0.000 1.086 306 F CA 1.698 59.583 58.000 -0.191 0.000 1.375 306 F CB -0.611 38.272 39.000 -0.195 0.000 1.045 306 F HN 0.250 nan 8.300 nan 0.000 0.516 307 N N 0.254 118.772 118.700 -0.304 0.000 2.166 307 N HA -0.177 4.559 4.740 -0.006 0.000 0.186 307 N C 1.718 177.131 175.510 -0.163 0.000 1.019 307 N CA 1.356 54.198 53.050 -0.346 0.000 0.856 307 N CB -0.082 38.069 38.487 -0.559 0.000 0.993 307 N HN 0.056 nan 8.380 nan 0.000 0.426 308 E N 0.234 120.348 120.200 -0.143 0.000 2.107 308 E HA -0.064 4.283 4.350 -0.006 0.000 0.191 308 E C 2.062 178.664 176.600 0.004 0.000 0.982 308 E CA 0.502 56.855 56.400 -0.079 0.000 0.809 308 E CB -0.237 29.415 29.700 -0.079 0.000 0.756 308 E HN 0.486 nan 8.360 nan 0.000 0.459 309 L N 0.195 121.463 121.223 0.074 0.000 2.056 309 L HA -0.129 4.207 4.340 -0.006 0.000 0.207 309 L C 2.477 179.509 176.870 0.269 0.000 1.078 309 L CA 0.764 55.768 54.840 0.273 0.000 0.749 309 L CB -0.501 41.737 42.059 0.298 0.000 0.901 309 L HN -0.023 nan 8.230 nan 0.000 0.433 310 V N -0.094 119.927 119.914 0.178 0.000 2.515 310 V HA -0.268 3.848 4.120 -0.006 0.000 0.250 310 V C 2.124 178.255 176.094 0.062 0.000 1.058 310 V CA 1.950 64.329 62.300 0.132 0.000 1.064 310 V CB -0.454 31.397 31.823 0.047 0.000 0.675 310 V HN 0.460 nan 8.190 nan 0.000 0.461 311 D N 0.514 120.922 120.400 0.012 0.000 2.144 311 D HA -0.129 4.507 4.640 -0.006 0.000 0.200 311 D C 2.137 178.416 176.300 -0.035 0.000 0.978 311 D CA 1.390 55.377 54.000 -0.022 0.000 0.833 311 D CB -0.093 40.677 40.800 -0.050 0.000 0.961 311 D HN 0.353 nan 8.370 nan 0.000 0.470 312 A N 0.430 123.218 122.820 -0.055 0.000 1.908 312 A HA -0.234 4.082 4.320 -0.006 0.000 0.218 312 A C 2.183 179.729 177.584 -0.063 0.000 1.181 312 A CA 1.857 53.798 52.037 -0.161 0.000 0.627 312 A CB -0.805 17.937 19.000 -0.430 0.000 0.818 312 A HN 0.420 nan 8.150 nan 0.000 0.445 313 E N -0.292 119.946 120.200 0.063 0.000 2.077 313 E HA -0.112 4.234 4.350 -0.006 0.000 0.193 313 E C 2.137 178.762 176.600 0.041 0.000 0.989 313 E CA 0.937 57.395 56.400 0.097 0.000 0.800 313 E CB -0.233 29.559 29.700 0.154 0.000 0.746 313 E HN 0.549 nan 8.360 nan 0.000 0.452 314 A N 1.236 124.069 122.820 0.023 0.000 1.972 314 A HA -0.130 4.186 4.320 -0.006 0.000 0.219 314 A C 2.043 179.620 177.584 -0.011 0.000 1.169 314 A CA 1.092 53.132 52.037 0.005 0.000 0.635 314 A CB -0.344 18.654 19.000 -0.002 0.000 0.810 314 A HN 0.163 nan 8.150 nan 0.000 0.446 315 R N -1.235 119.248 120.500 -0.029 0.000 2.307 315 R HA 0.142 4.479 4.340 -0.006 0.000 0.199 315 R C 1.131 177.409 176.300 -0.037 0.000 1.000 315 R CA 0.528 56.602 56.100 -0.042 0.000 1.023 315 R CB -0.190 30.068 30.300 -0.069 0.000 0.908 315 R HN 0.702 nan 8.270 nan 0.000 0.473 316 G N 1.314 110.101 108.800 -0.022 0.000 2.160 316 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.244 316 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.244 316 G C 0.151 175.040 174.900 -0.019 0.000 1.022 316 G CA -0.041 45.054 45.100 -0.009 0.000 0.741 316 G HN 0.135 nan 8.290 nan 0.000 0.508 317 V N 0.203 120.087 119.914 -0.050 0.000 2.540 317 V HA 0.251 4.367 4.120 -0.006 0.000 0.297 317 V C 1.000 177.099 176.094 0.009 0.000 1.024 317 V CA 0.279 62.535 62.300 -0.073 0.000 1.105 317 V CB 0.981 32.668 31.823 -0.227 0.000 0.938 317 V HN 0.357 nan 8.190 nan 0.000 0.482 318 K N 3.145 123.562 120.400 0.028 0.000 2.144 318 K HA 0.545 4.862 4.320 -0.006 0.000 0.270 318 K C 1.013 177.687 176.600 0.123 0.000 1.005 318 K CA 0.593 56.922 56.287 0.070 0.000 0.932 318 K CB 0.869 33.405 32.500 0.061 0.000 1.021 318 K HN 0.980 nan 8.250 nan 0.000 0.462 319 G N 2.123 111.015 108.800 0.153 0.000 2.305 319 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.287 319 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.287 319 G C -0.483 174.561 174.900 0.241 0.000 1.036 319 G CA 0.111 45.373 45.100 0.269 0.000 0.887 319 G HN 0.417 nan 8.290 nan 0.000 0.505 320 F N 1.764 121.589 119.950 -0.209 0.000 2.335 320 F HA 0.612 5.135 4.527 -0.007 0.000 0.365 320 F C 0.319 175.875 175.800 -0.406 0.000 1.122 320 F CA -1.877 56.017 58.000 -0.177 0.000 1.151 320 F CB 0.439 39.381 39.000 -0.097 0.000 1.282 320 F HN 0.221 nan 8.300 nan 0.000 0.513 321 H N 5.393 124.299 119.070 -0.275 0.000 2.439 321 H HA 0.278 4.830 4.556 -0.006 0.000 0.228 321 H C -2.390 172.718 175.328 -0.367 0.000 1.423 321 H CA -1.691 54.183 56.048 -0.291 0.000 1.386 321 H CB -0.188 29.520 29.762 -0.091 0.000 1.641 321 H HN 0.389 nan 8.280 nan 0.000 0.508 322 P HA 0.171 nan 4.420 nan 0.000 0.269 322 P C 0.007 177.023 177.300 -0.473 0.000 1.209 322 P CA -0.258 62.544 63.100 -0.497 0.000 0.776 322 P CB 1.113 32.481 31.700 -0.554 0.000 0.876 323 A N 3.067 125.652 122.820 -0.393 0.000 2.354 323 A HA 0.318 4.634 4.320 -0.006 0.000 0.269 323 A C -0.396 177.014 177.584 -0.290 0.000 1.109 323 A CA -0.277 51.612 52.037 -0.247 0.000 0.800 323 A CB -0.294 18.654 19.000 -0.088 0.000 1.045 323 A HN 0.694 nan 8.150 nan 0.000 0.489 324 H N 0.689 119.843 119.070 0.140 0.000 2.539 324 H HA 0.615 5.167 4.556 -0.006 0.000 0.332 324 H C -0.525 174.972 175.328 0.283 0.000 1.031 324 H CA -0.148 56.095 56.048 0.325 0.000 1.206 324 H CB 1.495 31.469 29.762 0.353 0.000 1.446 324 H HN 0.668 nan 8.280 nan 0.000 0.496 325 M N 3.167 123.035 119.600 0.446 0.000 2.433 325 M HA 0.404 4.880 4.480 -0.006 0.000 0.290 325 M C -0.985 175.499 176.300 0.306 0.000 1.173 325 M CA -0.536 54.946 55.300 0.303 0.000 0.905 325 M CB 2.818 35.561 32.600 0.238 0.000 1.692 325 M HN 0.371 nan 8.290 nan 0.000 0.462 326 I N 2.078 122.752 120.570 0.174 0.000 2.365 326 I HA 0.277 4.443 4.170 -0.006 0.000 0.291 326 I C -0.309 175.767 176.117 -0.068 0.000 1.004 326 I CA -0.228 61.153 61.300 0.134 0.000 1.311 326 I CB 1.048 39.102 38.000 0.090 0.000 1.401 326 I HN 0.666 nan 8.210 nan 0.000 0.491 327 N N 6.008 124.669 118.700 -0.065 0.000 2.609 327 N HA 0.340 5.076 4.740 -0.006 0.000 0.268 327 N C -1.374 174.133 175.510 -0.004 0.000 1.106 327 N CA -0.412 52.572 53.050 -0.111 0.000 0.823 327 N CB 0.873 39.157 38.487 -0.338 0.000 1.263 327 N HN 0.553 nan 8.380 nan 0.000 0.533 328 Q N 0.239 120.020 119.800 -0.032 0.000 2.605 328 Q HA 0.598 4.934 4.340 -0.006 0.000 0.296 328 Q C -1.351 174.483 176.000 -0.277 0.000 1.056 328 Q CA -1.111 54.621 55.803 -0.119 0.000 0.778 328 Q CB 2.202 30.878 28.738 -0.104 0.000 1.497 328 Q HN 0.351 nan 8.270 nan 0.000 0.443 329 S N -0.182 115.283 115.700 -0.391 0.000 2.561 329 S HA 0.451 4.917 4.470 -0.006 0.000 0.303 329 S C -1.843 172.460 174.600 -0.496 0.000 1.110 329 S CA -0.559 57.440 58.200 -0.335 0.000 1.034 329 S CB 0.357 63.513 63.200 -0.074 0.000 1.010 329 S HN 0.579 nan 8.310 nan 0.000 0.482 330 H N 3.986 123.096 119.070 0.067 0.000 2.690 330 H HA 0.418 4.970 4.556 -0.007 0.000 0.280 330 H C 0.460 175.837 175.328 0.081 0.000 1.138 330 H CA -0.790 55.295 56.048 0.062 0.000 1.241 330 H CB 0.666 30.451 29.762 0.038 0.000 1.394 330 H HN 0.481 nan 8.280 nan 0.000 0.489 331 N N 1.785 120.572 118.700 0.144 0.000 2.409 331 N HA -0.046 4.690 4.740 -0.006 0.000 0.174 331 N C 0.976 176.591 175.510 0.174 0.000 1.037 331 N CA 0.658 53.805 53.050 0.162 0.000 0.898 331 N CB 0.897 39.480 38.487 0.159 0.000 1.010 331 N HN 0.485 nan 8.380 nan 0.000 0.445 332 V N -2.394 117.604 119.914 0.141 0.000 3.111 332 V HA 0.455 4.571 4.120 -0.006 0.000 0.343 332 V C 0.004 176.151 176.094 0.087 0.000 1.417 332 V CA -0.277 62.083 62.300 0.100 0.000 1.142 332 V CB -0.226 31.637 31.823 0.066 0.000 1.114 332 V HN 0.150 nan 8.190 nan 0.000 0.520 333 T N -3.746 110.873 114.554 0.109 0.000 2.812 333 T HA 0.475 4.822 4.350 -0.006 0.000 0.294 333 T C -1.223 173.523 174.700 0.078 0.000 1.159 333 T CA -0.323 61.827 62.100 0.083 0.000 1.008 333 T CB 2.123 71.034 68.868 0.071 0.000 1.289 333 T HN 0.156 nan 8.240 nan 0.000 0.514 334 D N 1.329 121.759 120.400 0.051 0.000 2.358 334 D HA 0.250 4.886 4.640 -0.006 0.000 0.258 334 D C -1.520 174.746 176.300 -0.058 0.000 1.223 334 D CA -1.953 52.075 54.000 0.047 0.000 0.886 334 D CB 1.359 42.219 40.800 0.100 0.000 1.120 334 D HN 0.116 nan 8.370 nan 0.000 0.482 335 P HA -0.156 nan 4.420 nan 0.000 0.216 335 P C 1.643 178.724 177.300 -0.365 0.000 1.154 335 P CA 1.078 64.041 63.100 -0.228 0.000 0.865 335 P CB 0.243 31.933 31.700 -0.016 0.000 0.789 336 I N -0.626 119.791 120.570 -0.256 0.000 2.226 336 I HA -0.235 3.931 4.170 -0.006 0.000 0.245 336 I C 2.247 178.077 176.117 -0.479 0.000 1.100 336 I CA 1.546 62.622 61.300 -0.374 0.000 1.374 336 I CB -0.641 37.094 38.000 -0.442 0.000 1.057 336 I HN 0.036 nan 8.210 nan 0.000 0.413 337 E N 0.374 120.302 120.200 -0.453 0.000 2.072 337 E HA -0.158 4.188 4.350 -0.006 0.000 0.191 337 E C 2.354 178.811 176.600 -0.239 0.000 0.985 337 E CA 1.380 57.577 56.400 -0.339 0.000 0.801 337 E CB -0.084 29.512 29.700 -0.173 0.000 0.750 337 E HN 0.331 nan 8.360 nan 0.000 0.452 338 S N 0.986 116.528 115.700 -0.263 0.000 2.368 338 S HA -0.085 4.381 4.470 -0.006 0.000 0.225 338 S C 2.025 176.483 174.600 -0.236 0.000 1.030 338 S CA 0.719 58.784 58.200 -0.225 0.000 0.999 338 S CB -0.125 62.921 63.200 -0.256 0.000 0.844 338 S HN 0.171 nan 8.310 nan 0.000 0.459 339 L N 0.816 121.821 121.223 -0.362 0.000 2.083 339 L HA -0.091 4.245 4.340 -0.006 0.000 0.209 339 L C 2.165 178.948 176.870 -0.145 0.000 1.083 339 L CA 1.008 55.719 54.840 -0.215 0.000 0.752 339 L CB -0.506 41.414 42.059 -0.232 0.000 0.899 339 L HN 0.311 nan 8.230 nan 0.000 0.433 340 I N 0.066 120.526 120.570 -0.183 0.000 2.099 340 I HA -0.325 3.841 4.170 -0.006 0.000 0.239 340 I C 2.108 178.171 176.117 -0.091 0.000 1.066 340 I CA 1.408 62.623 61.300 -0.141 0.000 1.324 340 I CB -0.336 37.556 38.000 -0.181 0.000 1.037 340 I HN 0.339 nan 8.210 nan 0.000 0.401 341 N N 0.311 118.959 118.700 -0.087 0.000 2.381 341 N HA -0.098 4.638 4.740 -0.006 0.000 0.182 341 N C 1.925 177.414 175.510 -0.034 0.000 1.025 341 N CA 1.004 54.023 53.050 -0.052 0.000 0.888 341 N CB -0.174 38.289 38.487 -0.039 0.000 0.965 341 N HN 0.211 nan 8.380 nan 0.000 0.438 342 S N 0.419 116.102 115.700 -0.027 0.000 2.371 342 S HA 0.035 4.501 4.470 -0.006 0.000 0.224 342 S C 2.060 176.648 174.600 -0.020 0.000 1.029 342 S CA 0.860 59.061 58.200 0.003 0.000 0.978 342 S CB -0.196 63.032 63.200 0.048 0.000 0.833 342 S HN 0.471 nan 8.310 nan 0.000 0.466 343 A N 2.346 125.151 122.820 -0.025 0.000 1.933 343 A HA -0.148 4.168 4.320 -0.006 0.000 0.218 343 A C 1.846 179.404 177.584 -0.044 0.000 1.175 343 A CA 1.583 53.608 52.037 -0.020 0.000 0.628 343 A CB -0.822 18.171 19.000 -0.011 0.000 0.814 343 A HN 0.615 nan 8.150 nan 0.000 0.444 344 N N -0.886 117.786 118.700 -0.047 0.000 2.120 344 N HA -0.185 4.551 4.740 -0.006 0.000 0.188 344 N C 1.836 177.295 175.510 -0.086 0.000 1.024 344 N CA 1.290 54.306 53.050 -0.056 0.000 0.852 344 N CB -0.133 38.327 38.487 -0.045 0.000 1.003 344 N HN 0.548 nan 8.380 nan 0.000 0.424 345 E N 1.357 121.512 120.200 -0.075 0.000 2.110 345 E HA -0.065 4.282 4.350 -0.006 0.000 0.193 345 E C 1.724 178.230 176.600 -0.157 0.000 0.988 345 E CA 0.837 57.189 56.400 -0.080 0.000 0.804 345 E CB -0.068 29.614 29.700 -0.029 0.000 0.745 345 E HN 0.346 nan 8.360 nan 0.000 0.458 346 I N -0.102 120.342 120.570 -0.210 0.000 2.252 346 I HA -0.226 3.940 4.170 -0.006 0.000 0.245 346 I C 2.499 178.231 176.117 -0.641 0.000 1.102 346 I CA 1.009 62.065 61.300 -0.407 0.000 1.385 346 I CB -0.208 37.564 38.000 -0.379 0.000 1.064 346 I HN 0.042 nan 8.210 nan 0.000 0.414 347 R N 0.165 120.418 120.500 -0.411 0.000 2.115 347 R HA -0.125 4.211 4.340 -0.006 0.000 0.230 347 R C 2.426 178.524 176.300 -0.337 0.000 1.111 347 R CA 0.883 56.736 56.100 -0.412 0.000 0.976 347 R CB -0.242 29.966 30.300 -0.154 0.000 0.870 347 R HN 0.309 nan 8.270 nan 0.000 0.445 348 R N 0.562 120.911 120.500 -0.251 0.000 2.070 348 R HA -0.125 4.211 4.340 -0.006 0.000 0.233 348 R C 2.116 178.303 176.300 -0.189 0.000 1.137 348 R CA 1.664 57.657 56.100 -0.178 0.000 0.945 348 R CB -0.236 29.994 30.300 -0.117 0.000 0.845 348 R HN 0.190 nan 8.270 nan 0.000 0.430 349 A N 0.004 122.686 122.820 -0.231 0.000 1.933 349 A HA -0.221 4.095 4.320 -0.006 0.000 0.218 349 A C 2.013 179.393 177.584 -0.340 0.000 1.175 349 A CA 1.373 53.341 52.037 -0.116 0.000 0.628 349 A CB -0.861 18.111 19.000 -0.046 0.000 0.814 349 A HN 0.635 nan 8.150 nan 0.000 0.444 350 Y N 0.737 120.396 120.300 -1.069 0.000 2.145 350 Y HA -0.086 4.460 4.550 -0.007 0.000 0.286 350 Y C 2.620 178.234 175.900 -0.478 0.000 1.145 350 Y CA 1.245 58.674 58.100 -1.118 0.000 1.148 350 Y CB -0.721 36.739 38.460 -1.666 0.000 0.981 350 Y HN 0.295 nan 8.280 nan 0.000 0.507 351 A N 0.330 122.868 122.820 -0.470 0.000 1.908 351 A HA -0.270 4.046 4.320 -0.006 0.000 0.218 351 A C 2.113 179.555 177.584 -0.236 0.000 1.181 351 A CA 2.075 53.888 52.037 -0.373 0.000 0.627 351 A CB -0.812 18.065 19.000 -0.204 0.000 0.818 351 A HN 0.696 nan 8.150 nan 0.000 0.445 352 Q N -0.730 119.014 119.800 -0.094 0.000 2.119 352 Q HA -0.045 4.291 4.340 -0.006 0.000 0.201 352 Q C 2.369 178.525 176.000 0.259 0.000 0.972 352 Q CA 1.226 57.080 55.803 0.084 0.000 0.847 352 Q CB -0.388 28.439 28.738 0.148 0.000 0.903 352 Q HN 0.691 nan 8.270 nan 0.000 0.433 353 A N 0.914 123.819 122.820 0.142 0.000 1.933 353 A HA -0.141 4.175 4.320 -0.006 0.000 0.218 353 A C 2.011 179.544 177.584 -0.085 0.000 1.175 353 A CA 1.020 53.047 52.037 -0.017 0.000 0.628 353 A CB -0.575 18.332 19.000 -0.154 0.000 0.814 353 A HN 0.298 nan 8.150 nan 0.000 0.444 354 L N -0.641 120.447 121.223 -0.225 0.000 2.275 354 L HA -0.093 4.243 4.340 -0.006 0.000 0.215 354 L C 2.094 178.903 176.870 -0.101 0.000 1.119 354 L CA 0.576 55.285 54.840 -0.218 0.000 0.790 354 L CB -0.409 41.434 42.059 -0.360 0.000 0.919 354 L HN 0.371 nan 8.230 nan 0.000 0.443 355 L N -0.762 120.428 121.223 -0.055 0.000 2.395 355 L HA 0.007 4.343 4.340 -0.006 0.000 0.218 355 L C 0.832 177.717 176.870 0.025 0.000 1.130 355 L CA -0.223 54.604 54.840 -0.021 0.000 0.826 355 L CB -0.219 41.827 42.059 -0.023 0.000 0.941 355 L HN -0.033 nan 8.230 nan 0.000 0.451 356 V N 1.348 121.302 119.914 0.067 0.000 2.557 356 V HA -0.132 3.984 4.120 -0.006 0.000 0.301 356 V C 0.489 176.613 176.094 0.049 0.000 1.026 356 V CA 0.210 62.565 62.300 0.093 0.000 1.137 356 V CB 0.488 32.378 31.823 0.111 0.000 0.917 356 V HN 0.153 nan 8.190 nan 0.000 0.484 357 D N 5.014 125.449 120.400 0.057 0.000 2.435 357 D HA 0.118 4.754 4.640 -0.006 0.000 0.230 357 D C 1.277 177.598 176.300 0.036 0.000 1.215 357 D CA -0.064 53.958 54.000 0.037 0.000 0.947 357 D CB 0.365 41.191 40.800 0.044 0.000 1.048 357 D HN 0.456 nan 8.370 nan 0.000 0.512 358 R N 2.193 122.703 120.500 0.017 0.000 2.235 358 R HA -0.008 4.329 4.340 -0.006 0.000 0.213 358 R C 1.905 178.197 176.300 -0.012 0.000 1.059 358 R CA 0.861 56.967 56.100 0.009 0.000 0.997 358 R CB 0.177 30.478 30.300 0.000 0.000 0.884 358 R HN 0.368 nan 8.270 nan 0.000 0.462 359 A N 1.397 124.203 122.820 -0.024 0.000 1.873 359 A HA -0.062 4.254 4.320 -0.006 0.000 0.215 359 A C 2.362 179.890 177.584 -0.093 0.000 1.186 359 A CA 1.541 53.548 52.037 -0.050 0.000 0.616 359 A CB -0.562 18.411 19.000 -0.046 0.000 0.823 359 A HN 0.347 nan 8.150 nan 0.000 0.442 360 A N -0.545 122.220 122.820 -0.091 0.000 1.898 360 A HA -0.010 4.306 4.320 -0.006 0.000 0.216 360 A C 2.126 179.596 177.584 -0.189 0.000 1.181 360 A CA 1.694 53.610 52.037 -0.201 0.000 0.620 360 A CB -0.655 18.317 19.000 -0.046 0.000 0.819 360 A HN 0.648 nan 8.150 nan 0.000 0.442 361 L N 1.055 122.292 121.223 0.023 0.000 2.042 361 L HA -0.179 4.158 4.340 -0.006 0.000 0.210 361 L C 2.774 179.669 176.870 0.042 0.000 1.076 361 L CA 2.882 57.790 54.840 0.113 0.000 0.749 361 L CB -0.743 41.372 42.059 0.095 0.000 0.893 361 L HN 0.522 nan 8.230 nan 0.000 0.432 362 S N -1.203 114.485 115.700 -0.020 0.000 2.382 362 S HA -0.108 4.358 4.470 -0.006 0.000 0.228 362 S C 2.108 176.675 174.600 -0.054 0.000 1.027 362 S CA 0.887 59.070 58.200 -0.028 0.000 0.991 362 S CB -1.639 61.538 63.200 -0.038 0.000 0.823 362 S HN 0.505 nan 8.310 nan 0.000 0.469 363 G N 0.286 109.002 108.800 -0.141 0.000 2.402 363 G HA2 -0.097 3.859 3.960 -0.006 0.000 0.216 363 G HA3 -0.097 3.859 3.960 -0.006 0.000 0.216 363 G C 1.184 176.013 174.900 -0.118 0.000 1.162 363 G CA 0.748 45.736 45.100 -0.187 0.000 0.777 363 G HN 0.564 nan 8.290 nan 0.000 0.539 364 Y N 0.976 121.277 120.300 0.002 0.000 2.293 364 Y HA -0.031 4.515 4.550 -0.006 0.000 0.291 364 Y C 3.064 178.966 175.900 0.003 0.000 1.137 364 Y CA 1.014 59.116 58.100 0.004 0.000 1.202 364 Y CB -0.434 38.031 38.460 0.009 0.000 0.990 364 Y HN 0.295 nan 8.280 nan 0.000 0.537 365 Q N -0.428 119.454 119.800 0.137 0.000 2.083 365 Q HA -0.197 4.139 4.340 -0.006 0.000 0.198 365 Q C 2.094 178.123 176.000 0.048 0.000 0.969 365 Q CA 1.447 57.296 55.803 0.077 0.000 0.838 365 Q CB -0.115 28.651 28.738 0.047 0.000 0.900 365 Q HN 0.334 nan 8.270 nan 0.000 0.436 366 E N 1.267 121.485 120.200 0.030 0.000 2.110 366 E HA -0.178 4.168 4.350 -0.006 0.000 0.193 366 E C 0.733 177.348 176.600 0.025 0.000 0.988 366 E CA 1.290 57.699 56.400 0.015 0.000 0.804 366 E CB 0.046 29.744 29.700 -0.004 0.000 0.745 366 E HN 0.204 nan 8.360 nan 0.000 0.458 367 D N -0.191 120.235 120.400 0.043 0.000 2.340 367 D HA 0.041 4.678 4.640 -0.006 0.000 0.220 367 D C -0.418 175.918 176.300 0.059 0.000 1.039 367 D CA 0.196 54.227 54.000 0.052 0.000 0.866 367 D CB -0.390 40.452 40.800 0.070 0.000 0.913 367 D HN 0.256 nan 8.370 nan 0.000 0.523 368 N N 1.219 119.954 118.700 0.058 0.000 2.727 368 N HA -0.195 4.541 4.740 -0.006 0.000 0.249 368 N C -0.721 174.818 175.510 0.049 0.000 1.048 368 N CA 0.432 53.510 53.050 0.047 0.000 0.714 368 N CB -0.642 37.862 38.487 0.029 0.000 0.959 368 N HN 0.082 nan 8.380 nan 0.000 0.544 369 D N -0.048 120.399 120.400 0.079 0.000 2.564 369 D HA 0.454 5.090 4.640 -0.006 0.000 0.226 369 D C 1.087 177.382 176.300 -0.008 0.000 1.149 369 D CA 0.244 54.271 54.000 0.044 0.000 0.994 369 D CB 0.124 40.991 40.800 0.112 0.000 1.029 369 D HN 0.376 nan 8.370 nan 0.000 0.517 370 A N 3.348 126.163 122.820 -0.008 0.000 1.908 370 A HA -0.187 4.130 4.320 -0.006 0.000 0.218 370 A C 2.067 179.620 177.584 -0.051 0.000 1.181 370 A CA 1.024 53.051 52.037 -0.015 0.000 0.627 370 A CB -0.481 18.516 19.000 -0.005 0.000 0.818 370 A HN 0.591 nan 8.150 nan 0.000 0.445 371 L N -1.322 119.856 121.223 -0.075 0.000 1.994 371 L HA -0.172 4.164 4.340 -0.006 0.000 0.208 371 L C 2.453 179.220 176.870 -0.173 0.000 1.071 371 L CA 1.855 56.636 54.840 -0.097 0.000 0.745 371 L CB -0.224 41.782 42.059 -0.087 0.000 0.892 371 L HN 0.282 nan 8.230 nan 0.000 0.431 372 M N -0.717 118.692 119.600 -0.318 0.000 2.319 372 M HA -0.054 4.422 4.480 -0.006 0.000 0.265 372 M C 2.376 178.363 176.300 -0.523 0.000 1.068 372 M CA 1.422 56.354 55.300 -0.614 0.000 1.118 372 M CB -1.464 30.349 32.600 -1.312 0.000 1.395 372 M HN 0.469 nan 8.290 nan 0.000 0.435 373 A N -0.600 122.063 122.820 -0.261 0.000 1.873 373 A HA -0.153 4.163 4.320 -0.006 0.000 0.215 373 A C 2.390 179.986 177.584 0.020 0.000 1.186 373 A CA 2.346 54.380 52.037 -0.004 0.000 0.616 373 A CB -1.145 17.893 19.000 0.062 0.000 0.823 373 A HN 0.417 nan 8.150 nan 0.000 0.442 374 T N -1.015 113.538 114.554 -0.002 0.000 2.821 374 T HA -0.117 4.229 4.350 -0.006 0.000 0.267 374 T C 1.910 176.637 174.700 0.044 0.000 1.046 374 T CA 1.796 63.924 62.100 0.047 0.000 1.139 374 T CB -0.217 68.673 68.868 0.038 0.000 0.871 374 T HN 0.599 nan 8.240 nan 0.000 0.454 375 E N 0.428 120.613 120.200 -0.025 0.000 2.150 375 E HA -0.067 4.279 4.350 -0.006 0.000 0.193 375 E C 2.122 178.731 176.600 0.014 0.000 0.985 375 E CA 1.502 57.885 56.400 -0.028 0.000 0.814 375 E CB -0.606 29.043 29.700 -0.084 0.000 0.752 375 E HN 0.388 nan 8.360 nan 0.000 0.466 376 T N 0.752 115.326 114.554 0.035 0.000 2.821 376 T HA -0.056 4.290 4.350 -0.006 0.000 0.267 376 T C 1.714 176.500 174.700 0.144 0.000 1.046 376 T CA 1.176 63.341 62.100 0.109 0.000 1.139 376 T CB -0.155 68.828 68.868 0.191 0.000 0.871 376 T HN 0.144 nan 8.240 nan 0.000 0.454 377 L N 0.321 121.653 121.223 0.182 0.000 2.072 377 L HA -0.030 4.306 4.340 -0.006 0.000 0.205 377 L C 2.719 179.746 176.870 0.261 0.000 1.079 377 L CA 0.937 55.967 54.840 0.315 0.000 0.752 377 L CB -0.375 41.912 42.059 0.380 0.000 0.906 377 L HN 0.066 nan 8.230 nan 0.000 0.436 378 K N 0.454 120.947 120.400 0.155 0.000 2.148 378 K HA -0.114 4.202 4.320 -0.006 0.000 0.204 378 K C 2.117 178.721 176.600 0.007 0.000 1.050 378 K CA 1.109 57.432 56.287 0.060 0.000 0.942 378 K CB -0.244 32.253 32.500 -0.004 0.000 0.724 378 K HN 0.308 nan 8.250 nan 0.000 0.446 379 R N 0.203 120.715 120.500 0.020 0.000 2.120 379 R HA -0.070 4.266 4.340 -0.006 0.000 0.234 379 R C 2.243 178.528 176.300 -0.025 0.000 1.123 379 R CA 1.237 57.331 56.100 -0.009 0.000 0.975 379 R CB -0.220 30.087 30.300 0.012 0.000 0.866 379 R HN 0.154 nan 8.270 nan 0.000 0.446 380 A N 0.171 123.002 122.820 0.018 0.000 1.855 380 A HA -0.165 4.151 4.320 -0.006 0.000 0.213 380 A C 1.928 179.437 177.584 -0.124 0.000 1.195 380 A CA 0.805 52.850 52.037 0.013 0.000 0.610 380 A CB -0.728 18.380 19.000 0.180 0.000 0.837 380 A HN 0.396 nan 8.150 nan 0.000 0.444 381 Y N 0.958 120.982 120.300 -0.459 0.000 2.207 381 Y HA -0.180 4.367 4.550 -0.006 0.000 0.287 381 Y C 2.317 178.000 175.900 -0.362 0.000 1.156 381 Y CA 1.956 59.629 58.100 -0.712 0.000 1.182 381 Y CB -0.233 37.627 38.460 -1.000 0.000 0.979 381 Y HN 0.234 nan 8.280 nan 0.000 0.521 382 R N -0.308 119.961 120.500 -0.385 0.000 2.280 382 R HA -0.009 4.327 4.340 -0.006 0.000 0.207 382 R C 0.351 176.462 176.300 -0.315 0.000 1.043 382 R CA 0.881 56.752 56.100 -0.382 0.000 1.006 382 R CB -0.490 29.689 30.300 -0.202 0.000 0.885 382 R HN 0.161 nan 8.270 nan 0.000 0.467 383 T N 1.628 116.024 114.554 -0.263 0.000 2.799 383 T HA -0.030 4.316 4.350 -0.006 0.000 0.296 383 T C -0.177 174.392 174.700 -0.217 0.000 0.947 383 T CA -0.123 61.858 62.100 -0.199 0.000 1.141 383 T CB 0.916 69.694 68.868 -0.149 0.000 0.891 383 T HN -0.001 nan 8.240 nan 0.000 0.533 384 D N 3.439 123.731 120.400 -0.180 0.000 2.359 384 D HA 0.081 4.717 4.640 -0.006 0.000 0.250 384 D C 1.133 177.353 176.300 -0.133 0.000 1.264 384 D CA -0.682 53.221 54.000 -0.161 0.000 0.911 384 D CB 0.366 41.088 40.800 -0.130 0.000 1.056 384 D HN 0.345 nan 8.370 nan 0.000 0.499 385 V N 1.634 121.468 119.914 -0.133 0.000 3.633 385 V HA 0.114 4.230 4.120 -0.006 0.000 0.283 385 V C 1.722 177.772 176.094 -0.072 0.000 1.305 385 V CA 0.111 62.346 62.300 -0.109 0.000 1.153 385 V CB -0.071 31.683 31.823 -0.116 0.000 0.950 385 V HN 0.301 nan 8.190 nan 0.000 0.432 386 E N 2.613 122.773 120.200 -0.067 0.000 2.097 386 E HA -0.133 4.213 4.350 -0.006 0.000 0.196 386 E C -0.167 176.434 176.600 0.001 0.000 1.000 386 E CA 2.411 58.788 56.400 -0.038 0.000 0.804 386 E CB -1.453 28.223 29.700 -0.041 0.000 0.740 386 E HN 0.511 nan 8.360 nan 0.000 0.454 387 P HA -0.098 nan 4.420 nan 0.000 0.217 387 P C 1.209 178.636 177.300 0.212 0.000 1.150 387 P CA 1.253 64.417 63.100 0.106 0.000 0.832 387 P CB -0.021 31.731 31.700 0.086 0.000 0.787 388 I N -1.805 118.838 120.570 0.121 0.000 2.202 388 I HA -0.206 3.960 4.170 -0.006 0.000 0.242 388 I C 1.932 178.111 176.117 0.103 0.000 1.091 388 I CA 1.099 62.496 61.300 0.162 0.000 1.368 388 I CB -0.606 37.409 38.000 0.026 0.000 1.058 388 I HN -0.104 nan 8.210 nan 0.000 0.410 389 L N 0.825 122.070 121.223 0.037 0.000 2.046 389 L HA -0.170 4.167 4.340 -0.006 0.000 0.208 389 L C 2.682 179.566 176.870 0.022 0.000 1.077 389 L CA 2.161 57.010 54.840 0.015 0.000 0.747 389 L CB -1.225 40.824 42.059 -0.016 0.000 0.896 389 L HN 0.199 nan 8.230 nan 0.000 0.432 390 A N -0.951 121.885 122.820 0.026 0.000 1.930 390 A HA -0.214 4.102 4.320 -0.006 0.000 0.217 390 A C 2.303 179.885 177.584 -0.003 0.000 1.175 390 A CA 1.636 53.680 52.037 0.012 0.000 0.627 390 A CB -0.473 18.535 19.000 0.013 0.000 0.815 390 A HN 0.402 nan 8.150 nan 0.000 0.443 391 E N 0.503 120.705 120.200 0.002 0.000 2.106 391 E HA -0.021 4.325 4.350 -0.006 0.000 0.192 391 E C 1.958 178.529 176.600 -0.049 0.000 0.984 391 E CA 1.532 57.878 56.400 -0.091 0.000 0.806 391 E CB -0.528 29.020 29.700 -0.254 0.000 0.750 391 E HN 0.430 nan 8.360 nan 0.000 0.458 392 A N 0.956 123.782 122.820 0.010 0.000 1.908 392 A HA -0.207 4.109 4.320 -0.006 0.000 0.218 392 A C 2.261 179.856 177.584 0.018 0.000 1.181 392 A CA 1.772 53.823 52.037 0.023 0.000 0.627 392 A CB -0.502 18.524 19.000 0.044 0.000 0.818 392 A HN 0.236 nan 8.150 nan 0.000 0.445 393 R N -1.178 119.329 120.500 0.012 0.000 2.066 393 R HA -0.085 4.251 4.340 -0.006 0.000 0.232 393 R C 2.552 178.850 176.300 -0.004 0.000 1.131 393 R CA 1.316 57.423 56.100 0.011 0.000 0.955 393 R CB -0.357 29.946 30.300 0.005 0.000 0.851 393 R HN 0.557 nan 8.270 nan 0.000 0.432 394 R N 1.318 121.804 120.500 -0.023 0.000 2.083 394 R HA -0.155 4.181 4.340 -0.006 0.000 0.237 394 R C 2.125 178.405 176.300 -0.034 0.000 1.137 394 R CA 1.702 57.779 56.100 -0.037 0.000 0.951 394 R CB -0.060 30.203 30.300 -0.063 0.000 0.851 394 R HN 0.171 nan 8.270 nan 0.000 0.434 395 R N -0.630 119.849 120.500 -0.034 0.000 2.148 395 R HA -0.057 4.279 4.340 -0.006 0.000 0.227 395 R C 1.702 178.002 176.300 0.001 0.000 1.103 395 R CA 1.692 57.778 56.100 -0.024 0.000 0.983 395 R CB -0.069 30.217 30.300 -0.024 0.000 0.874 395 R HN 0.388 nan 8.270 nan 0.000 0.451 396 T N -3.589 110.974 114.554 0.014 0.000 3.145 396 T HA 0.312 4.659 4.350 -0.006 0.000 0.255 396 T C 1.128 175.845 174.700 0.029 0.000 1.039 396 T CA 0.221 62.340 62.100 0.033 0.000 0.928 396 T CB 1.105 70.010 68.868 0.061 0.000 1.029 396 T HN 0.351 nan 8.240 nan 0.000 0.554 397 G N 0.088 108.894 108.800 0.012 0.000 2.157 397 G HA2 -0.050 3.906 3.960 -0.006 0.000 0.239 397 G HA3 -0.050 3.906 3.960 -0.006 0.000 0.239 397 G C 0.449 175.350 174.900 0.002 0.000 0.982 397 G CA -0.275 44.829 45.100 0.007 0.000 0.650 397 G HN 0.997 nan 8.290 nan 0.000 0.527 398 G N -0.407 108.395 108.800 0.004 0.000 2.532 398 G HA2 0.815 4.771 3.960 -0.006 0.000 0.291 398 G HA3 0.815 4.771 3.960 -0.006 0.000 0.291 398 G C 0.221 175.115 174.900 -0.010 0.000 1.349 398 G CA 0.238 45.338 45.100 0.001 0.000 1.038 398 G HN 1.509 nan 8.290 nan 0.000 0.518 399 A N -1.261 121.554 122.820 -0.008 0.000 2.305 399 A HA 0.557 4.873 4.320 -0.006 0.000 0.322 399 A C 1.157 178.735 177.584 -0.010 0.000 1.187 399 A CA -0.510 51.522 52.037 -0.010 0.000 0.825 399 A CB 1.610 20.609 19.000 -0.002 0.000 1.164 399 A HN 0.656 nan 8.150 nan 0.000 0.498 400 V N 1.256 121.162 119.914 -0.013 0.000 2.332 400 V HA -0.105 4.011 4.120 -0.006 0.000 0.248 400 V C 0.787 176.877 176.094 -0.007 0.000 1.055 400 V CA 2.408 64.701 62.300 -0.012 0.000 1.038 400 V CB -0.300 31.514 31.823 -0.016 0.000 0.651 400 V HN 0.887 nan 8.190 nan 0.000 0.450 401 D N -1.529 118.868 120.400 -0.004 0.000 2.408 401 D HA 0.241 4.877 4.640 -0.006 0.000 0.261 401 D C -1.989 174.316 176.300 0.008 0.000 1.190 401 D CA -2.027 51.973 54.000 0.000 0.000 0.910 401 D CB 2.000 42.801 40.800 0.002 0.000 1.097 401 D HN 0.055 nan 8.370 nan 0.000 0.522 402 P HA -0.166 nan 4.420 nan 0.000 0.214 402 P C 1.658 178.979 177.300 0.035 0.000 1.163 402 P CA 0.674 63.777 63.100 0.005 0.000 0.889 402 P CB 0.506 32.192 31.700 -0.023 0.000 0.790 403 V N -0.133 119.795 119.914 0.023 0.000 2.358 403 V HA -0.235 3.881 4.120 -0.006 0.000 0.246 403 V C 2.464 178.628 176.094 0.117 0.000 1.047 403 V CA 2.160 64.500 62.300 0.067 0.000 1.035 403 V CB -1.750 30.089 31.823 0.028 0.000 0.658 403 V HN 0.100 nan 8.190 nan 0.000 0.452 404 A N -0.207 122.652 122.820 0.064 0.000 1.902 404 A HA -0.223 4.093 4.320 -0.006 0.000 0.217 404 A C 2.398 180.014 177.584 0.054 0.000 1.181 404 A CA 2.515 54.583 52.037 0.051 0.000 0.623 404 A CB -0.910 18.105 19.000 0.026 0.000 0.818 404 A HN 0.506 nan 8.150 nan 0.000 0.443 405 T N -1.640 112.948 114.554 0.057 0.000 2.777 405 T HA -0.136 4.210 4.350 -0.006 0.000 0.266 405 T C 1.789 176.533 174.700 0.074 0.000 1.040 405 T CA 1.519 63.647 62.100 0.047 0.000 1.141 405 T CB -0.427 68.462 68.868 0.034 0.000 0.868 405 T HN 0.579 nan 8.240 nan 0.000 0.444 406 Y N 2.380 122.671 120.300 -0.016 0.000 2.128 406 Y HA -0.160 4.386 4.550 -0.007 0.000 0.284 406 Y C 2.433 178.349 175.900 0.027 0.000 1.154 406 Y CA 1.325 59.420 58.100 -0.009 0.000 1.149 406 Y CB -0.194 38.249 38.460 -0.028 0.000 0.976 406 Y HN 0.011 nan 8.280 nan 0.000 0.505 407 R N -0.160 120.344 120.500 0.007 0.000 2.092 407 R HA -0.079 4.257 4.340 -0.006 0.000 0.231 407 R C 2.484 178.734 176.300 -0.084 0.000 1.119 407 R CA 1.027 57.081 56.100 -0.077 0.000 0.970 407 R CB -0.599 29.722 30.300 0.035 0.000 0.864 407 R HN 0.436 nan 8.270 nan 0.000 0.440 408 A N 1.135 123.932 122.820 -0.039 0.000 2.015 408 A HA -0.152 4.164 4.320 -0.006 0.000 0.219 408 A C 2.186 179.742 177.584 -0.045 0.000 1.163 408 A CA 1.709 53.727 52.037 -0.032 0.000 0.646 408 A CB -0.394 18.598 19.000 -0.013 0.000 0.806 408 A HN 0.422 nan 8.150 nan 0.000 0.448 409 S N -1.447 114.215 115.700 -0.062 0.000 2.453 409 S HA 0.273 4.739 4.470 -0.006 0.000 0.231 409 S C 1.584 176.152 174.600 -0.054 0.000 1.005 409 S CA 1.249 59.424 58.200 -0.043 0.000 0.949 409 S CB -0.665 62.525 63.200 -0.016 0.000 0.774 409 S HN 1.947 nan 8.310 nan 0.000 0.510 410 G N 0.306 109.036 108.800 -0.116 0.000 2.160 410 G HA2 -0.381 3.575 3.960 -0.006 0.000 0.251 410 G HA3 -0.381 3.575 3.960 -0.006 0.000 0.251 410 G C 0.222 175.059 174.900 -0.105 0.000 1.008 410 G CA 0.475 45.510 45.100 -0.109 0.000 0.724 410 G HN 0.619 nan 8.290 nan 0.000 0.514 411 Y N 0.855 120.987 120.300 -0.280 0.000 2.128 411 Y HA -0.194 4.352 4.550 -0.007 0.000 0.284 411 Y C 2.804 178.628 175.900 -0.126 0.000 1.154 411 Y CA 2.802 60.788 58.100 -0.191 0.000 1.149 411 Y CB -0.164 38.181 38.460 -0.193 0.000 0.976 411 Y HN 0.331 nan 8.280 nan 0.000 0.505 412 R N 0.938 121.386 120.500 -0.086 0.000 2.083 412 R HA -0.154 4.182 4.340 -0.006 0.000 0.237 412 R C 2.266 178.515 176.300 -0.084 0.000 1.137 412 R CA 1.845 57.941 56.100 -0.007 0.000 0.951 412 R CB -1.253 29.091 30.300 0.073 0.000 0.851 412 R HN 0.416 nan 8.270 nan 0.000 0.434 413 A N 0.862 123.627 122.820 -0.091 0.000 1.933 413 A HA -0.164 4.152 4.320 -0.006 0.000 0.218 413 A C 2.267 179.789 177.584 -0.104 0.000 1.175 413 A CA 1.597 53.590 52.037 -0.074 0.000 0.628 413 A CB -0.661 18.303 19.000 -0.060 0.000 0.814 413 A HN 0.459 nan 8.150 nan 0.000 0.444 414 R N 0.330 120.735 120.500 -0.158 0.000 2.070 414 R HA -0.136 4.201 4.340 -0.006 0.000 0.233 414 R C 2.023 178.200 176.300 -0.205 0.000 1.137 414 R CA 2.477 58.469 56.100 -0.179 0.000 0.945 414 R CB -0.705 29.460 30.300 -0.225 0.000 0.845 414 R HN 0.495 nan 8.270 nan 0.000 0.430 415 V N -1.323 118.398 119.914 -0.321 0.000 2.759 415 V HA 0.037 4.153 4.120 -0.006 0.000 0.256 415 V C 2.372 178.402 176.094 -0.107 0.000 1.080 415 V CA 1.471 63.628 62.300 -0.239 0.000 1.101 415 V CB -0.956 30.684 31.823 -0.305 0.000 0.698 415 V HN 0.412 nan 8.190 nan 0.000 0.477 416 A N 0.810 123.578 122.820 -0.086 0.000 1.930 416 A HA 0.142 4.458 4.320 -0.006 0.000 0.217 416 A C 2.423 179.988 177.584 -0.031 0.000 1.175 416 A CA 2.024 54.039 52.037 -0.035 0.000 0.627 416 A CB -0.843 18.144 19.000 -0.022 0.000 0.815 416 A HN 0.908 nan 8.150 nan 0.000 0.443 417 A N -0.280 122.512 122.820 -0.045 0.000 2.016 417 A HA -0.024 4.292 4.320 -0.006 0.000 0.217 417 A C 1.822 179.389 177.584 -0.028 0.000 1.162 417 A CA 1.295 53.313 52.037 -0.032 0.000 0.662 417 A CB -0.290 18.688 19.000 -0.037 0.000 0.812 417 A HN 0.632 nan 8.150 nan 0.000 0.450 418 E N -0.383 119.793 120.200 -0.039 0.000 2.250 418 E HA 0.014 4.360 4.350 -0.006 0.000 0.192 418 E C 0.236 176.830 176.600 -0.010 0.000 0.986 418 E CA 0.172 56.556 56.400 -0.026 0.000 0.849 418 E CB 0.120 29.797 29.700 -0.038 0.000 0.797 418 E HN 0.446 nan 8.360 nan 0.000 0.482 419 R N 2.440 122.935 120.500 -0.008 0.000 2.294 419 R HA 0.269 4.605 4.340 -0.006 0.000 0.319 419 R C -2.385 173.922 176.300 0.013 0.000 0.984 419 R CA -1.867 54.239 56.100 0.010 0.000 0.861 419 R CB 0.868 31.179 30.300 0.017 0.000 1.104 419 R HN -0.008 nan 8.270 nan 0.000 0.451 420 P HA 0.151 nan 4.420 nan 0.000 0.280 420 P C -0.952 176.362 177.300 0.022 0.000 1.244 420 P CA -0.416 62.695 63.100 0.018 0.000 0.784 420 P CB 1.447 33.158 31.700 0.018 0.000 0.913 421 A N 3.102 125.935 122.820 0.021 0.000 2.363 421 A HA 0.349 4.665 4.320 -0.006 0.000 0.270 421 A C 0.590 178.187 177.584 0.022 0.000 1.121 421 A CA -0.273 51.779 52.037 0.024 0.000 0.800 421 A CB -0.193 18.822 19.000 0.026 0.000 1.052 421 A HN 0.540 nan 8.150 nan 0.000 0.493 422 S N 0.797 116.509 115.700 0.021 0.000 2.558 422 S HA 0.174 4.640 4.470 -0.006 0.000 0.288 422 S C 1.199 175.808 174.600 0.015 0.000 1.318 422 S CA -0.354 57.856 58.200 0.017 0.000 1.056 422 S CB 0.942 64.150 63.200 0.012 0.000 0.853 422 S HN 0.572 nan 8.310 nan 0.000 0.505 423 V N 1.311 121.233 119.914 0.014 0.000 3.379 423 V HA 0.330 4.446 4.120 -0.006 0.000 0.249 423 V C 0.808 176.909 176.094 0.011 0.000 1.184 423 V CA 1.032 63.340 62.300 0.014 0.000 1.106 423 V CB -0.271 31.561 31.823 0.014 0.000 0.826 423 V HN 0.877 nan 8.190 nan 0.000 0.465 424 A N 0.000 122.826 122.820 0.010 0.000 2.254 424 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 424 A CA 0.000 52.042 52.037 0.008 0.000 0.836 424 A CB 0.000 19.005 19.000 0.009 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486