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 3m0h_1_C 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 HMIDQFHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV AGGGGI 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 0.000 175.829 175.800 0.049 0.000 0.967 4 F CA 0.000 58.015 58.000 0.025 0.000 1.383 4 F CB 0.000 39.011 39.000 0.017 0.000 1.145 5 R N 1.174 121.777 120.500 0.172 0.000 2.096 5 R HA 0.065 4.406 4.340 0.002 0.000 0.235 5 R C 0.479 176.914 176.300 0.225 0.000 1.127 5 R CA 1.097 57.314 56.100 0.195 0.000 0.968 5 R CB 0.072 30.431 30.300 0.099 0.000 0.861 5 R HN 0.321 nan 8.270 nan 0.000 0.440 6 I N 0.990 121.665 120.570 0.175 0.000 2.354 6 I HA 0.252 4.423 4.170 0.002 0.000 0.292 6 I C 0.224 176.421 176.117 0.134 0.000 0.989 6 I CA -1.700 59.687 61.300 0.145 0.000 1.188 6 I CB 1.117 39.173 38.000 0.092 0.000 1.342 6 I HN -0.072 nan 8.210 nan 0.000 0.457 7 A N 6.093 128.962 122.820 0.083 0.000 2.567 7 A HA 0.023 4.344 4.320 0.002 0.000 0.240 7 A C 1.269 178.832 177.584 -0.034 0.000 1.053 7 A CA 0.157 52.204 52.037 0.016 0.000 0.755 7 A CB 0.077 19.079 19.000 0.004 0.000 0.978 7 A HN 0.832 nan 8.150 nan 0.000 0.507 8 Q N 1.031 120.744 119.800 -0.146 0.000 2.170 8 Q HA -0.210 4.131 4.340 0.002 0.000 0.203 8 Q C 1.211 177.150 176.000 -0.102 0.000 0.976 8 Q CA 1.605 57.300 55.803 -0.179 0.000 0.858 8 Q CB -0.116 28.397 28.738 -0.375 0.000 0.907 8 Q HN 1.001 nan 8.270 nan 0.000 0.433 9 D N -0.008 120.339 120.400 -0.087 0.000 2.219 9 D HA -0.114 4.528 4.640 0.002 0.000 0.205 9 D C 1.769 178.049 176.300 -0.034 0.000 0.970 9 D CA 0.775 54.741 54.000 -0.057 0.000 0.851 9 D CB -0.389 40.381 40.800 -0.050 0.000 0.943 9 D HN 0.089 nan 8.370 nan 0.000 0.488 10 V N 0.630 120.529 119.914 -0.024 0.000 2.379 10 V HA -0.175 3.947 4.120 0.002 0.000 0.245 10 V C 2.855 178.946 176.094 -0.004 0.000 1.044 10 V CA 1.040 63.335 62.300 -0.009 0.000 1.036 10 V CB -0.234 31.590 31.823 0.003 0.000 0.664 10 V HN 0.107 nan 8.190 nan 0.000 0.453 11 V N 0.516 120.428 119.914 -0.002 0.000 2.295 11 V HA -0.265 3.856 4.120 0.002 0.000 0.246 11 V C 2.719 178.810 176.094 -0.006 0.000 1.049 11 V CA 2.113 64.416 62.300 0.005 0.000 1.024 11 V CB -1.164 30.668 31.823 0.015 0.000 0.648 11 V HN 0.552 nan 8.190 nan 0.000 0.447 12 A N 0.000 122.809 122.820 -0.019 0.000 1.877 12 A HA -0.253 4.068 4.320 0.002 0.000 0.216 12 A C 2.424 179.998 177.584 -0.017 0.000 1.186 12 A CA 2.061 54.085 52.037 -0.022 0.000 0.620 12 A CB -0.592 18.388 19.000 -0.033 0.000 0.822 12 A HN 0.479 nan 8.150 nan 0.000 0.443 13 R N -0.472 120.018 120.500 -0.017 0.000 2.091 13 R HA -0.153 4.188 4.340 0.002 0.000 0.238 13 R C 1.636 177.931 176.300 -0.009 0.000 1.136 13 R CA 1.695 57.787 56.100 -0.013 0.000 0.959 13 R CB -0.183 30.109 30.300 -0.013 0.000 0.856 13 R HN 0.422 nan 8.270 nan 0.000 0.437 14 E N 0.182 120.379 120.200 -0.005 0.000 2.347 14 E HA -0.087 4.264 4.350 0.002 0.000 0.196 14 E C 1.331 177.929 176.600 -0.002 0.000 1.008 14 E CA 0.591 56.991 56.400 -0.000 0.000 0.852 14 E CB -0.115 29.589 29.700 0.007 0.000 0.783 14 E HN 0.368 nan 8.360 nan 0.000 0.505 15 N N 1.030 119.727 118.700 -0.005 0.000 2.251 15 N HA -0.080 4.661 4.740 0.002 0.000 0.181 15 N C 1.247 176.750 175.510 -0.012 0.000 1.019 15 N CA 0.721 53.766 53.050 -0.009 0.000 0.862 15 N CB -0.138 38.343 38.487 -0.011 0.000 0.992 15 N HN 0.085 nan 8.380 nan 0.000 0.429 16 D N 0.638 121.030 120.400 -0.013 0.000 2.149 16 D HA -0.156 4.485 4.640 0.002 0.000 0.198 16 D C 1.844 178.137 176.300 -0.011 0.000 0.990 16 D CA 0.695 54.687 54.000 -0.014 0.000 0.839 16 D CB -0.109 40.682 40.800 -0.014 0.000 0.948 16 D HN 0.274 nan 8.370 nan 0.000 0.460 17 R N 0.625 121.120 120.500 -0.009 0.000 2.152 17 R HA -0.045 4.297 4.340 0.002 0.000 0.232 17 R C 1.423 177.719 176.300 -0.006 0.000 1.117 17 R CA 1.050 57.146 56.100 -0.007 0.000 0.981 17 R CB 0.189 30.486 30.300 -0.005 0.000 0.870 17 R HN 0.098 nan 8.270 nan 0.000 0.451 18 R N -1.234 119.262 120.500 -0.006 0.000 2.437 18 R HA 0.247 4.588 4.340 0.002 0.000 0.257 18 R C 1.650 177.946 176.300 -0.008 0.000 0.927 18 R CA 0.353 56.450 56.100 -0.006 0.000 1.078 18 R CB 0.712 31.010 30.300 -0.004 0.000 1.161 18 R HN 0.110 nan 8.270 nan 0.000 0.529 19 A N 0.949 123.762 122.820 -0.012 0.000 1.908 19 A HA -0.208 4.113 4.320 0.002 0.000 0.218 19 A C 2.148 179.725 177.584 -0.012 0.000 1.181 19 A CA 2.043 54.070 52.037 -0.017 0.000 0.627 19 A CB -0.511 18.477 19.000 -0.020 0.000 0.818 19 A HN 0.267 nan 8.150 nan 0.000 0.445 20 S N -0.428 115.267 115.700 -0.008 0.000 2.348 20 S HA -0.074 4.397 4.470 0.002 0.000 0.221 20 S C 2.221 176.822 174.600 0.002 0.000 1.033 20 S CA 1.751 59.949 58.200 -0.003 0.000 1.010 20 S CB -0.542 62.656 63.200 -0.004 0.000 0.891 20 S HN 0.865 nan 8.310 nan 0.000 0.442 21 A N 1.334 124.155 122.820 0.002 0.000 1.933 21 A HA -0.012 4.309 4.320 0.002 0.000 0.218 21 A C 2.169 179.761 177.584 0.014 0.000 1.175 21 A CA 1.696 53.736 52.037 0.005 0.000 0.628 21 A CB -0.906 18.095 19.000 0.001 0.000 0.814 21 A HN 0.587 nan 8.150 nan 0.000 0.444 22 L N 0.116 121.347 121.223 0.013 0.000 2.046 22 L HA -0.140 4.201 4.340 0.002 0.000 0.208 22 L C 2.256 179.159 176.870 0.055 0.000 1.077 22 L CA 2.717 57.574 54.840 0.028 0.000 0.747 22 L CB -0.668 41.394 42.059 0.004 0.000 0.896 22 L HN 0.467 nan 8.230 nan 0.000 0.432 23 K N -0.835 119.582 120.400 0.029 0.000 2.063 23 K HA -0.208 4.114 4.320 0.002 0.000 0.208 23 K C 1.950 178.594 176.600 0.072 0.000 1.048 23 K CA 1.658 57.971 56.287 0.044 0.000 0.928 23 K CB -0.069 32.440 32.500 0.014 0.000 0.713 23 K HN 0.365 nan 8.250 nan 0.000 0.442 24 E N 1.120 121.346 120.200 0.043 0.000 2.051 24 E HA -0.180 4.171 4.350 0.002 0.000 0.192 24 E C 1.814 178.435 176.600 0.036 0.000 0.991 24 E CA 1.201 57.620 56.400 0.032 0.000 0.799 24 E CB -0.280 29.428 29.700 0.014 0.000 0.748 24 E HN 0.429 nan 8.360 nan 0.000 0.449 25 D N -0.173 120.252 120.400 0.042 0.000 2.117 25 D HA -0.146 4.496 4.640 0.002 0.000 0.198 25 D C 1.933 178.259 176.300 0.043 0.000 0.982 25 D CA 0.742 54.759 54.000 0.028 0.000 0.828 25 D CB -0.407 40.408 40.800 0.025 0.000 0.967 25 D HN 0.213 nan 8.370 nan 0.000 0.464 26 Y N 1.924 122.207 120.300 -0.028 0.000 2.200 26 Y HA -0.148 4.403 4.550 0.002 0.000 0.290 26 Y C 2.135 178.019 175.900 -0.025 0.000 1.137 26 Y CA 1.546 59.630 58.100 -0.027 0.000 1.163 26 Y CB 0.150 38.596 38.460 -0.023 0.000 0.988 26 Y HN -0.036 nan 8.280 nan 0.000 0.518 27 E N -0.327 119.945 120.200 0.120 0.000 2.106 27 E HA -0.167 4.184 4.350 0.002 0.000 0.192 27 E C 2.331 178.909 176.600 -0.036 0.000 0.984 27 E CA 0.795 57.222 56.400 0.045 0.000 0.806 27 E CB -0.256 29.483 29.700 0.065 0.000 0.750 27 E HN 0.556 nan 8.360 nan 0.000 0.458 28 A N 1.466 124.265 122.820 -0.035 0.000 1.898 28 A HA -0.146 4.175 4.320 0.002 0.000 0.216 28 A C 2.177 179.706 177.584 -0.091 0.000 1.181 28 A CA 0.920 52.926 52.037 -0.052 0.000 0.620 28 A CB -0.477 18.499 19.000 -0.039 0.000 0.819 28 A HN 0.212 nan 8.150 nan 0.000 0.442 29 L N 0.243 121.386 121.223 -0.132 0.000 2.083 29 L HA 0.007 4.348 4.340 0.002 0.000 0.209 29 L C 2.334 179.078 176.870 -0.210 0.000 1.083 29 L CA 2.193 56.928 54.840 -0.175 0.000 0.752 29 L CB -1.075 40.852 42.059 -0.220 0.000 0.899 29 L HN 0.295 nan 8.230 nan 0.000 0.433 30 G N -1.029 107.611 108.800 -0.266 0.000 2.418 30 G HA2 -0.249 3.712 3.960 0.002 0.000 0.217 30 G HA3 -0.249 3.712 3.960 0.002 0.000 0.217 30 G C 1.587 176.412 174.900 -0.125 0.000 1.158 30 G CA 0.786 45.746 45.100 -0.232 0.000 0.771 30 G HN 0.620 nan 8.290 nan 0.000 0.545 31 A N 1.001 123.765 122.820 -0.093 0.000 1.898 31 A HA -0.087 4.234 4.320 0.002 0.000 0.216 31 A C 2.208 179.755 177.584 -0.063 0.000 1.181 31 A CA 1.821 53.821 52.037 -0.061 0.000 0.620 31 A CB -0.563 18.410 19.000 -0.045 0.000 0.819 31 A HN 0.444 nan 8.150 nan 0.000 0.442 32 N N 0.446 119.100 118.700 -0.076 0.000 2.084 32 N HA -0.121 4.620 4.740 0.002 0.000 0.190 32 N C 1.766 177.234 175.510 -0.070 0.000 1.030 32 N CA 1.632 54.640 53.050 -0.070 0.000 0.849 32 N CB -0.267 38.173 38.487 -0.078 0.000 1.012 32 N HN 0.495 nan 8.380 nan 0.000 0.423 33 L N 0.804 121.973 121.223 -0.089 0.000 2.083 33 L HA -0.098 4.243 4.340 0.002 0.000 0.209 33 L C 2.723 179.556 176.870 -0.062 0.000 1.083 33 L CA 1.135 55.926 54.840 -0.081 0.000 0.752 33 L CB -0.532 41.462 42.059 -0.107 0.000 0.899 33 L HN 0.191 nan 8.230 nan 0.000 0.433 34 A N 0.126 122.910 122.820 -0.060 0.000 1.933 34 A HA -0.202 4.119 4.320 0.002 0.000 0.218 34 A C 2.350 179.913 177.584 -0.034 0.000 1.175 34 A CA 1.371 53.382 52.037 -0.043 0.000 0.628 34 A CB -0.458 18.519 19.000 -0.039 0.000 0.814 34 A HN 0.329 nan 8.150 nan 0.000 0.444 35 R N -0.891 119.587 120.500 -0.036 0.000 2.189 35 R HA -0.020 4.321 4.340 0.002 0.000 0.223 35 R C 1.482 177.767 176.300 -0.025 0.000 1.092 35 R CA 1.144 57.227 56.100 -0.028 0.000 0.989 35 R CB -0.129 30.153 30.300 -0.030 0.000 0.876 35 R HN 0.444 nan 8.270 nan 0.000 0.457 36 R N -0.586 119.897 120.500 -0.030 0.000 2.359 36 R HA 0.126 4.467 4.340 0.002 0.000 0.231 36 R C 0.695 176.982 176.300 -0.021 0.000 0.913 36 R CA 0.446 56.532 56.100 -0.024 0.000 1.075 36 R CB 0.879 31.162 30.300 -0.029 0.000 1.087 36 R HN 0.273 nan 8.270 nan 0.000 0.515 37 G N 0.709 109.495 108.800 -0.023 0.000 2.160 37 G HA2 -0.247 3.714 3.960 0.002 0.000 0.251 37 G HA3 -0.247 3.714 3.960 0.002 0.000 0.251 37 G C -0.058 174.828 174.900 -0.024 0.000 1.008 37 G CA 0.145 45.232 45.100 -0.021 0.000 0.724 37 G HN 0.161 nan 8.290 nan 0.000 0.514 38 V N 0.312 120.207 119.914 -0.033 0.000 2.555 38 V HA 0.556 4.677 4.120 0.002 0.000 0.302 38 V C -0.236 175.831 176.094 -0.044 0.000 1.038 38 V CA -0.659 61.618 62.300 -0.038 0.000 0.887 38 V CB 2.003 33.798 31.823 -0.048 0.000 0.991 38 V HN 0.327 nan 8.190 nan 0.000 0.434 39 D N 3.311 123.689 120.400 -0.036 0.000 2.380 39 D HA 0.208 4.850 4.640 0.002 0.000 0.230 39 D C 0.951 177.227 176.300 -0.040 0.000 1.154 39 D CA -0.180 53.801 54.000 -0.031 0.000 0.859 39 D CB 1.086 41.879 40.800 -0.013 0.000 1.045 39 D HN 0.522 nan 8.370 nan 0.000 0.495 40 I N 3.040 123.569 120.570 -0.069 0.000 2.315 40 I HA -0.261 3.910 4.170 0.002 0.000 0.251 40 I C 1.755 177.868 176.117 -0.007 0.000 1.125 40 I CA 1.331 62.570 61.300 -0.101 0.000 1.392 40 I CB 0.259 38.104 38.000 -0.258 0.000 1.065 40 I HN 0.429 nan 8.210 nan 0.000 0.424 41 E N 1.403 121.628 120.200 0.041 0.000 2.110 41 E HA -0.207 4.144 4.350 0.002 0.000 0.193 41 E C 1.963 178.595 176.600 0.053 0.000 0.988 41 E CA 1.698 58.150 56.400 0.086 0.000 0.804 41 E CB -0.291 29.454 29.700 0.075 0.000 0.745 41 E HN 0.553 nan 8.360 nan 0.000 0.458 42 A N -0.026 122.808 122.820 0.023 0.000 1.969 42 A HA -0.083 4.239 4.320 0.002 0.000 0.218 42 A C 2.424 180.012 177.584 0.007 0.000 1.169 42 A CA 1.494 53.540 52.037 0.016 0.000 0.635 42 A CB -0.501 18.500 19.000 0.003 0.000 0.810 42 A HN 0.199 nan 8.150 nan 0.000 0.445 43 V N -0.567 119.340 119.914 -0.012 0.000 2.323 43 V HA -0.178 3.943 4.120 0.002 0.000 0.244 43 V C 2.687 178.780 176.094 -0.002 0.000 1.041 43 V CA 2.341 64.616 62.300 -0.041 0.000 1.025 43 V CB -1.340 30.437 31.823 -0.076 0.000 0.656 43 V HN 0.558 nan 8.190 nan 0.000 0.451 44 T N 0.771 115.351 114.554 0.044 0.000 2.759 44 T HA -0.182 4.170 4.350 0.002 0.000 0.269 44 T C 2.074 176.813 174.700 0.065 0.000 1.042 44 T CA 1.657 63.806 62.100 0.082 0.000 1.140 44 T CB -0.456 68.509 68.868 0.162 0.000 0.864 44 T HN 0.558 nan 8.240 nan 0.000 0.455 45 A N 1.660 124.515 122.820 0.059 0.000 1.933 45 A HA -0.134 4.187 4.320 0.002 0.000 0.218 45 A C 2.281 179.903 177.584 0.064 0.000 1.175 45 A CA 1.533 53.603 52.037 0.055 0.000 0.628 45 A CB -0.375 18.654 19.000 0.050 0.000 0.814 45 A HN 0.458 nan 8.150 nan 0.000 0.444 46 K N -0.622 119.824 120.400 0.078 0.000 2.076 46 K HA 0.015 4.336 4.320 0.002 0.000 0.204 46 K C 1.852 178.584 176.600 0.220 0.000 1.051 46 K CA 1.122 57.495 56.287 0.144 0.000 0.949 46 K CB -0.263 32.322 32.500 0.142 0.000 0.726 46 K HN 0.286 nan 8.250 nan 0.000 0.443 47 V N 2.277 122.292 119.914 0.168 0.000 2.407 47 V HA -0.238 3.883 4.120 0.002 0.000 0.248 47 V C 1.839 177.981 176.094 0.079 0.000 1.055 47 V CA 1.789 64.195 62.300 0.177 0.000 1.049 47 V CB -0.469 31.398 31.823 0.073 0.000 0.662 47 V HN 0.344 nan 8.190 nan 0.000 0.455 48 E N 0.049 120.275 120.200 0.042 0.000 2.204 48 E HA -0.217 4.134 4.350 0.002 0.000 0.195 48 E C 1.788 178.322 176.600 -0.109 0.000 0.990 48 E CA 0.957 57.366 56.400 0.015 0.000 0.821 48 E CB -0.122 29.603 29.700 0.043 0.000 0.750 48 E HN 0.604 nan 8.360 nan 0.000 0.477 49 K N 0.059 120.338 120.400 -0.201 0.000 2.374 49 K HA 0.089 4.410 4.320 0.002 0.000 0.196 49 K C -0.095 175.895 176.600 -1.016 0.000 1.023 49 K CA -0.286 55.682 56.287 -0.533 0.000 1.103 49 K CB 0.268 32.660 32.500 -0.180 0.000 0.848 49 K HN -0.023 nan 8.250 nan 0.000 0.528 50 F N 1.643 121.110 119.950 -0.805 0.000 2.421 50 F HA 0.286 4.814 4.527 0.002 0.000 0.358 50 F C -0.661 174.730 175.800 -0.680 0.000 1.115 50 F CA -0.935 56.625 58.000 -0.733 0.000 1.160 50 F CB 0.315 38.920 39.000 -0.658 0.000 1.123 50 F HN -0.218 nan 8.300 nan 0.000 0.508 51 F N 5.229 124.769 119.950 -0.683 0.000 2.546 51 F HA 0.675 5.203 4.527 0.002 0.000 0.320 51 F C -0.540 175.007 175.800 -0.422 0.000 1.076 51 F CA -1.433 56.337 58.000 -0.384 0.000 0.928 51 F CB 1.612 40.475 39.000 -0.229 0.000 1.189 51 F HN 0.203 nan 8.300 nan 0.000 0.465 52 V N 2.022 121.969 119.914 0.055 0.000 2.686 52 V HA 0.854 4.976 4.120 0.002 0.000 0.306 52 V C -0.719 175.422 176.094 0.078 0.000 1.065 52 V CA -0.781 61.586 62.300 0.112 0.000 0.894 52 V CB 1.502 33.437 31.823 0.187 0.000 1.004 52 V HN 1.047 nan 8.190 nan 0.000 0.424 53 A N 5.773 128.638 122.820 0.076 0.000 2.425 53 A HA 0.653 4.974 4.320 0.002 0.000 0.249 53 A C -0.030 177.526 177.584 -0.046 0.000 1.084 53 A CA 0.184 52.220 52.037 -0.001 0.000 0.781 53 A CB 0.702 19.708 19.000 0.011 0.000 1.019 53 A HN 1.833 nan 8.150 nan 0.000 0.490 54 V N 0.610 120.456 119.914 -0.113 0.000 2.539 54 V HA 0.666 4.787 4.120 0.002 0.000 0.292 54 V C -2.508 173.401 176.094 -0.309 0.000 1.045 54 V CA -2.385 59.806 62.300 -0.183 0.000 0.945 54 V CB 1.371 33.096 31.823 -0.164 0.000 0.993 54 V HN 0.781 nan 8.190 nan 0.000 0.464 55 P HA 0.208 nan 4.420 nan 0.000 0.286 55 P C 0.829 177.693 177.300 -0.727 0.000 1.269 55 P CA -0.065 62.382 63.100 -1.088 0.000 0.787 55 P CB 1.788 32.362 31.700 -1.878 0.000 0.920 56 S N 2.886 118.351 115.700 -0.392 0.000 2.399 56 S HA -0.176 4.295 4.470 0.002 0.000 0.231 56 S C 1.456 176.096 174.600 0.067 0.000 1.022 56 S CA 0.705 58.891 58.200 -0.023 0.000 0.983 56 S CB -1.387 61.944 63.200 0.219 0.000 0.803 56 S HN 0.694 nan 8.310 nan 0.000 0.480 57 W N 1.633 123.028 121.300 0.158 0.000 3.077 57 W HA 0.577 5.238 4.660 0.002 0.000 0.245 57 W C 1.636 178.149 176.519 -0.010 0.000 1.316 57 W CA -0.269 57.141 57.345 0.108 0.000 1.537 57 W CB -0.661 28.956 29.460 0.261 0.000 1.131 57 W HN 0.207 nan 8.180 nan 0.000 0.695 58 G N 1.118 109.725 108.800 -0.322 0.000 2.796 58 G HA2 -0.027 3.935 3.960 0.002 0.000 0.210 58 G HA3 -0.027 3.935 3.960 0.002 0.000 0.210 58 G C 1.174 176.119 174.900 0.076 0.000 1.146 58 G CA 0.770 45.768 45.100 -0.170 0.000 0.779 58 G HN 0.371 nan 8.290 nan 0.000 0.535 59 V N -1.362 118.559 119.914 0.011 0.000 3.306 59 V HA 0.403 4.524 4.120 0.002 0.000 0.264 59 V C 1.241 177.389 176.094 0.089 0.000 1.149 59 V CA 0.262 62.581 62.300 0.031 0.000 1.143 59 V CB -0.558 31.270 31.823 0.009 0.000 0.767 59 V HN 0.198 nan 8.190 nan 0.000 0.476 60 G N -0.045 108.828 108.800 0.121 0.000 2.434 60 G HA2 0.500 4.461 3.960 0.002 0.000 0.330 60 G HA3 0.500 4.461 3.960 0.002 0.000 0.330 60 G C -0.363 174.641 174.900 0.173 0.000 1.155 60 G CA -0.380 44.796 45.100 0.126 0.000 0.917 60 G HN 0.172 nan 8.290 nan 0.000 0.493 61 T N 0.517 115.164 114.554 0.155 0.000 2.916 61 T HA 0.454 4.805 4.350 0.002 0.000 0.303 61 T C 1.026 175.838 174.700 0.187 0.000 1.025 61 T CA 0.534 62.744 62.100 0.184 0.000 1.142 61 T CB 1.150 70.112 68.868 0.157 0.000 0.947 61 T HN 0.709 nan 8.240 nan 0.000 0.544 62 G N 0.823 109.764 108.800 0.235 0.000 2.537 62 G HA2 0.715 4.676 3.960 0.002 0.000 0.297 62 G HA3 0.715 4.676 3.960 0.002 0.000 0.297 62 G C -0.076 174.875 174.900 0.086 0.000 1.310 62 G CA -0.383 44.840 45.100 0.205 0.000 1.027 62 G HN 0.984 nan 8.290 nan 0.000 0.505 63 G N -2.076 106.705 108.800 -0.031 0.000 2.649 63 G HA2 0.685 4.646 3.960 0.002 0.000 0.290 63 G HA3 0.685 4.646 3.960 0.002 0.000 0.290 63 G C -0.448 174.414 174.900 -0.064 0.000 1.426 63 G CA 0.360 45.446 45.100 -0.023 0.000 0.794 63 G HN 1.094 nan 8.290 nan 0.000 0.483 64 T N -2.855 111.698 114.554 -0.001 0.000 2.841 64 T HA 0.458 4.809 4.350 0.002 0.000 0.276 64 T C 1.395 176.072 174.700 -0.038 0.000 1.003 64 T CA -0.285 61.826 62.100 0.017 0.000 0.995 64 T CB 1.635 70.597 68.868 0.158 0.000 1.260 64 T HN 0.788 nan 8.240 nan 0.000 0.581 65 R N -0.696 119.747 120.500 -0.096 0.000 2.316 65 R HA 0.163 4.504 4.340 0.002 0.000 0.202 65 R C 0.979 177.064 176.300 -0.358 0.000 1.029 65 R CA 0.902 56.855 56.100 -0.245 0.000 1.018 65 R CB -0.628 29.473 30.300 -0.332 0.000 0.888 65 R HN 0.499 nan 8.270 nan 0.000 0.471 66 F N 0.810 120.754 119.950 -0.010 0.000 2.446 66 F HA 0.423 4.951 4.527 0.002 0.000 0.292 66 F C 1.053 176.819 175.800 -0.056 0.000 1.096 66 F CA 0.515 58.509 58.000 -0.011 0.000 1.438 66 F CB 0.504 39.517 39.000 0.021 0.000 1.107 66 F HN 0.200 nan 8.300 nan 0.000 0.546 67 A N -0.339 122.517 122.820 0.061 0.000 2.567 67 A HA 0.664 4.985 4.320 0.002 0.000 0.291 67 A C -1.263 176.149 177.584 -0.287 0.000 1.048 67 A CA -0.820 51.102 52.037 -0.193 0.000 0.661 67 A CB 1.065 19.852 19.000 -0.356 0.000 1.288 67 A HN 0.046 nan 8.150 nan 0.000 0.424 68 R N 0.237 120.448 120.500 -0.482 0.000 2.532 68 R HA 0.690 5.031 4.340 0.002 0.000 0.297 68 R C -2.122 173.892 176.300 -0.477 0.000 0.984 68 R CA -0.463 55.451 56.100 -0.311 0.000 0.884 68 R CB 0.886 31.095 30.300 -0.153 0.000 1.182 68 R HN 0.584 nan 8.270 nan 0.000 0.442 69 F N 5.803 125.782 119.950 0.048 0.000 2.449 69 F HA 0.343 4.871 4.527 0.002 0.000 0.344 69 F C -1.663 174.169 175.800 0.053 0.000 1.180 69 F CA -1.887 56.142 58.000 0.048 0.000 1.209 69 F CB 1.084 40.114 39.000 0.050 0.000 1.440 69 F HN 0.290 nan 8.300 nan 0.000 0.526 70 P HA 0.166 nan 4.420 nan 0.000 0.269 70 P C 0.342 177.721 177.300 0.131 0.000 1.215 70 P CA 0.141 63.316 63.100 0.125 0.000 0.780 70 P CB 1.447 33.193 31.700 0.076 0.000 0.898 71 G N 1.063 109.933 108.800 0.117 0.000 2.606 71 G HA2 0.536 4.497 3.960 0.002 0.000 0.262 71 G HA3 0.536 4.497 3.960 0.002 0.000 0.262 71 G C -0.321 174.629 174.900 0.083 0.000 1.394 71 G CA -0.386 44.776 45.100 0.102 0.000 1.044 71 G HN 0.657 nan 8.290 nan 0.000 0.553 72 T N -3.435 111.163 114.554 0.074 0.000 2.899 72 T HA 0.457 4.808 4.350 0.002 0.000 0.284 72 T C 1.189 175.924 174.700 0.059 0.000 1.004 72 T CA 0.701 62.835 62.100 0.057 0.000 1.043 72 T CB 1.093 69.986 68.868 0.042 0.000 1.013 72 T HN 2.157 nan 8.240 nan 0.000 0.518 73 G N 1.272 110.097 108.800 0.041 0.000 2.305 73 G HA2 -0.198 3.763 3.960 0.002 0.000 0.287 73 G HA3 -0.198 3.763 3.960 0.002 0.000 0.287 73 G C -0.046 174.892 174.900 0.064 0.000 1.036 73 G CA -0.129 44.993 45.100 0.038 0.000 0.887 73 G HN 0.882 nan 8.290 nan 0.000 0.505 74 E N 0.271 120.510 120.200 0.066 0.000 2.392 74 E HA 0.197 4.549 4.350 0.002 0.000 0.264 74 E C -1.984 174.661 176.600 0.075 0.000 1.024 74 E CA -1.518 54.927 56.400 0.076 0.000 0.903 74 E CB 0.428 30.168 29.700 0.067 0.000 0.963 74 E HN 0.212 nan 8.360 nan 0.000 0.432 75 P HA 0.089 nan 4.420 nan 0.000 0.268 75 P C 0.425 177.775 177.300 0.084 0.000 1.204 75 P CA 0.132 63.288 63.100 0.093 0.000 0.768 75 P CB 0.541 32.301 31.700 0.101 0.000 0.842 76 R N 1.666 122.222 120.500 0.093 0.000 2.153 76 R HA 0.209 4.551 4.340 0.002 0.000 0.218 76 R C 1.247 177.611 176.300 0.107 0.000 1.072 76 R CA 0.932 57.087 56.100 0.090 0.000 0.990 76 R CB -0.058 30.298 30.300 0.093 0.000 0.889 76 R HN 0.667 nan 8.270 nan 0.000 0.452 77 G N -0.869 108.010 108.800 0.131 0.000 2.494 77 G HA2 0.096 4.057 3.960 0.002 0.000 0.308 77 G HA3 0.096 4.057 3.960 0.002 0.000 0.308 77 G C -0.301 174.670 174.900 0.120 0.000 1.263 77 G CA -0.708 44.475 45.100 0.139 0.000 0.840 77 G HN -0.021 nan 8.290 nan 0.000 0.479 78 I N -0.271 120.334 120.570 0.058 0.000 2.335 78 I HA 0.050 4.222 4.170 0.002 0.000 0.251 78 I C 2.215 178.249 176.117 -0.139 0.000 1.129 78 I CA 1.460 62.723 61.300 -0.061 0.000 1.402 78 I CB -0.437 37.453 38.000 -0.183 0.000 1.069 78 I HN 0.388 nan 8.210 nan 0.000 0.424 79 F N 0.594 120.612 119.950 0.114 0.000 2.146 79 F HA -0.157 4.372 4.527 0.002 0.000 0.298 79 F C 2.332 178.189 175.800 0.095 0.000 1.096 79 F CA 1.492 59.553 58.000 0.101 0.000 1.275 79 F CB -0.831 38.219 39.000 0.084 0.000 1.008 79 F HN 0.091 nan 8.300 nan 0.000 0.480 80 D N 0.226 120.771 120.400 0.242 0.000 2.144 80 D HA -0.114 4.527 4.640 0.002 0.000 0.200 80 D C 2.105 178.492 176.300 0.145 0.000 0.978 80 D CA 1.058 55.165 54.000 0.178 0.000 0.833 80 D CB -0.250 40.638 40.800 0.147 0.000 0.961 80 D HN 0.231 nan 8.370 nan 0.000 0.470 81 K N 0.203 120.672 120.400 0.116 0.000 2.057 81 K HA -0.048 4.273 4.320 0.002 0.000 0.207 81 K C 2.276 178.913 176.600 0.062 0.000 1.049 81 K CA 0.586 56.925 56.287 0.086 0.000 0.931 81 K CB -0.089 32.460 32.500 0.082 0.000 0.714 81 K HN 0.151 nan 8.250 nan 0.000 0.440 82 L N 1.033 122.293 121.223 0.061 0.000 2.046 82 L HA -0.209 4.133 4.340 0.002 0.000 0.208 82 L C 1.862 178.761 176.870 0.048 0.000 1.077 82 L CA 1.036 55.899 54.840 0.038 0.000 0.747 82 L CB -0.462 41.629 42.059 0.055 0.000 0.896 82 L HN 0.174 nan 8.230 nan 0.000 0.432 83 D N 0.140 120.604 120.400 0.106 0.000 2.123 83 D HA -0.184 4.457 4.640 0.002 0.000 0.196 83 D C 1.775 178.150 176.300 0.124 0.000 0.992 83 D CA 1.264 55.342 54.000 0.130 0.000 0.833 83 D CB -0.167 40.744 40.800 0.185 0.000 0.954 83 D HN 0.292 nan 8.370 nan 0.000 0.455 84 D N -0.444 120.035 120.400 0.131 0.000 2.149 84 D HA -0.070 4.571 4.640 0.002 0.000 0.201 84 D C 2.140 178.415 176.300 -0.042 0.000 0.972 84 D CA 0.405 54.459 54.000 0.090 0.000 0.835 84 D CB -0.496 40.383 40.800 0.132 0.000 0.966 84 D HN 0.213 nan 8.370 nan 0.000 0.476 85 C N 1.041 120.316 119.300 -0.042 0.000 2.422 85 C HA 0.009 4.471 4.460 0.002 0.000 0.279 85 C C 2.834 177.755 174.990 -0.114 0.000 1.305 85 C CA 0.596 59.558 59.018 -0.095 0.000 1.757 85 C CB -0.970 26.712 27.740 -0.098 0.000 1.962 85 C HN 0.350 nan 8.230 nan 0.000 0.499 86 A N 0.230 122.995 122.820 -0.091 0.000 1.972 86 A HA -0.090 4.231 4.320 0.002 0.000 0.219 86 A C 2.245 179.756 177.584 -0.121 0.000 1.169 86 A CA 1.950 53.924 52.037 -0.104 0.000 0.635 86 A CB -0.554 18.405 19.000 -0.067 0.000 0.810 86 A HN 0.387 nan 8.150 nan 0.000 0.446 87 V N 0.219 120.037 119.914 -0.160 0.000 2.358 87 V HA -0.260 3.861 4.120 0.002 0.000 0.246 87 V C 2.400 178.393 176.094 -0.168 0.000 1.047 87 V CA 1.998 64.169 62.300 -0.216 0.000 1.035 87 V CB -0.672 30.891 31.823 -0.434 0.000 0.658 87 V HN 0.592 nan 8.190 nan 0.000 0.452 88 I N 0.064 120.527 120.570 -0.178 0.000 2.226 88 I HA -0.293 3.878 4.170 0.002 0.000 0.245 88 I C 2.638 178.687 176.117 -0.114 0.000 1.100 88 I CA 1.854 63.058 61.300 -0.160 0.000 1.374 88 I CB -0.412 37.491 38.000 -0.163 0.000 1.057 88 I HN 0.359 nan 8.210 nan 0.000 0.413 89 Q N 1.235 120.966 119.800 -0.114 0.000 2.079 89 Q HA -0.255 4.086 4.340 0.002 0.000 0.200 89 Q C 2.137 178.092 176.000 -0.075 0.000 0.974 89 Q CA 1.769 57.511 55.803 -0.101 0.000 0.840 89 Q CB -0.391 28.264 28.738 -0.139 0.000 0.898 89 Q HN 0.503 nan 8.270 nan 0.000 0.430 90 Q N -0.567 119.188 119.800 -0.075 0.000 2.096 90 Q HA -0.140 4.201 4.340 0.002 0.000 0.204 90 Q C 1.879 177.877 176.000 -0.004 0.000 0.982 90 Q CA 1.685 57.469 55.803 -0.033 0.000 0.850 90 Q CB -0.053 28.679 28.738 -0.010 0.000 0.901 90 Q HN 0.538 nan 8.270 nan 0.000 0.422 91 L N -0.417 120.793 121.223 -0.022 0.000 2.209 91 L HA -0.022 4.319 4.340 0.002 0.000 0.207 91 L C 2.526 179.390 176.870 -0.011 0.000 1.094 91 L CA 1.410 56.245 54.840 -0.009 0.000 0.790 91 L CB -0.290 41.759 42.059 -0.016 0.000 0.932 91 L HN 0.370 nan 8.230 nan 0.000 0.447 92 T N -4.962 109.578 114.554 -0.023 0.000 3.040 92 T HA 0.061 4.412 4.350 0.002 0.000 0.252 92 T C 1.166 175.882 174.700 0.027 0.000 1.064 92 T CA -0.338 61.758 62.100 -0.007 0.000 1.110 92 T CB 0.222 69.077 68.868 -0.021 0.000 0.921 92 T HN 0.096 nan 8.240 nan 0.000 0.480 93 R N 0.334 120.848 120.500 0.023 0.000 3.946 93 R HA -0.161 4.181 4.340 0.002 0.000 0.329 93 R C 0.884 177.282 176.300 0.164 0.000 1.209 93 R CA 0.904 57.041 56.100 0.061 0.000 0.909 93 R CB -2.404 27.944 30.300 0.080 0.000 1.355 93 R HN 0.715 nan 8.270 nan 0.000 0.539 94 A N -0.263 122.638 122.820 0.135 0.000 2.431 94 A HA 0.174 4.495 4.320 0.002 0.000 0.239 94 A C 0.867 178.559 177.584 0.180 0.000 1.230 94 A CA 0.832 53.017 52.037 0.247 0.000 0.928 94 A CB 0.457 19.547 19.000 0.150 0.000 1.006 94 A HN 0.291 nan 8.150 nan 0.000 0.520 95 T N -2.530 112.038 114.554 0.024 0.000 3.585 95 T HA 0.339 4.690 4.350 0.002 0.000 0.252 95 T C -1.879 172.722 174.700 -0.164 0.000 1.382 95 T CA -1.000 61.066 62.100 -0.057 0.000 1.584 95 T CB 0.942 69.769 68.868 -0.068 0.000 0.892 95 T HN 0.101 nan 8.240 nan 0.000 0.671 96 P HA 0.025 nan 4.420 nan 0.000 0.226 96 P C -0.243 176.870 177.300 -0.312 0.000 1.153 96 P CA 0.459 63.345 63.100 -0.357 0.000 0.777 96 P CB 0.246 31.589 31.700 -0.595 0.000 0.794 97 N N -0.288 118.260 118.700 -0.253 0.000 2.319 97 N HA 0.331 5.073 4.740 0.002 0.000 0.305 97 N C -0.866 174.532 175.510 -0.188 0.000 1.103 97 N CA -0.607 52.302 53.050 -0.235 0.000 0.815 97 N CB 2.789 41.176 38.487 -0.167 0.000 1.288 97 N HN -0.246 nan 8.380 nan 0.000 0.493 98 V N 0.771 120.559 119.914 -0.211 0.000 2.581 98 V HA 0.393 4.514 4.120 0.002 0.000 0.303 98 V C 0.122 176.235 176.094 0.030 0.000 1.041 98 V CA -0.707 61.523 62.300 -0.116 0.000 0.907 98 V CB 1.821 33.566 31.823 -0.129 0.000 0.994 98 V HN 0.589 nan 8.190 nan 0.000 0.442 99 S N 4.921 120.629 115.700 0.013 0.000 2.438 99 S HA 0.634 5.105 4.470 0.002 0.000 0.293 99 S C -0.451 174.306 174.600 0.261 0.000 1.141 99 S CA -0.426 57.852 58.200 0.130 0.000 1.080 99 S CB 0.782 64.034 63.200 0.087 0.000 0.978 99 S HN 0.400 nan 8.310 nan 0.000 0.479 100 L N 3.365 124.781 121.223 0.321 0.000 2.360 100 L HA 0.483 4.824 4.340 0.002 0.000 0.271 100 L C 0.291 177.403 176.870 0.404 0.000 1.057 100 L CA -0.128 54.926 54.840 0.357 0.000 0.803 100 L CB 0.661 42.846 42.059 0.210 0.000 1.207 100 L HN 0.618 nan 8.230 nan 0.000 0.445 101 H N 3.319 122.618 119.070 0.382 0.000 2.589 101 H HA 0.505 5.062 4.556 0.002 0.000 0.351 101 H C -1.166 174.216 175.328 0.090 0.000 1.074 101 H CA -0.543 55.628 56.048 0.204 0.000 1.203 101 H CB 1.647 31.545 29.762 0.227 0.000 1.558 101 H HN 0.224 nan 8.280 nan 0.000 0.522 102 I N 6.656 127.299 120.570 0.123 0.000 2.441 102 I HA 0.194 4.366 4.170 0.002 0.000 0.295 102 I C -1.680 174.494 176.117 0.095 0.000 0.994 102 I CA -2.593 58.777 61.300 0.117 0.000 1.144 102 I CB 1.871 39.901 38.000 0.050 0.000 1.314 102 I HN 0.459 nan 8.210 nan 0.000 0.445 103 P HA -0.021 nan 4.420 nan 0.000 0.249 103 P C 1.087 178.531 177.300 0.240 0.000 1.229 103 P CA 0.385 63.563 63.100 0.130 0.000 0.788 103 P CB 0.216 31.982 31.700 0.110 0.000 1.072 104 W N 1.970 123.359 121.300 0.149 0.000 2.321 104 W HA -0.117 4.544 4.660 0.002 0.000 0.306 104 W C 0.981 177.580 176.519 0.133 0.000 1.217 104 W CA 1.178 58.603 57.345 0.133 0.000 1.257 104 W CB -1.649 27.902 29.460 0.152 0.000 1.145 104 W HN 0.122 nan 8.180 nan 0.000 0.509 105 D N -0.143 120.485 120.400 0.381 0.000 2.388 105 D HA 0.022 4.663 4.640 0.002 0.000 0.221 105 D C 0.291 176.662 176.300 0.118 0.000 1.133 105 D CA 0.038 54.171 54.000 0.222 0.000 0.831 105 D CB -0.122 40.814 40.800 0.227 0.000 0.962 105 D HN -0.098 nan 8.370 nan 0.000 0.502 106 K N 1.638 122.120 120.400 0.136 0.000 2.484 106 K HA 0.323 4.644 4.320 0.002 0.000 0.280 106 K C -0.511 176.139 176.600 0.083 0.000 1.013 106 K CA 0.011 56.353 56.287 0.091 0.000 1.029 106 K CB 0.313 32.874 32.500 0.102 0.000 0.902 106 K HN 0.083 nan 8.250 nan 0.000 0.481 107 A N 3.482 126.339 122.820 0.061 0.000 2.540 107 A HA 0.281 4.602 4.320 0.002 0.000 0.291 107 A C -1.576 176.066 177.584 0.096 0.000 1.083 107 A CA -0.801 51.303 52.037 0.112 0.000 0.650 107 A CB 0.504 19.571 19.000 0.112 0.000 1.292 107 A HN 0.736 nan 8.150 nan 0.000 0.435 108 D N 0.736 121.224 120.400 0.148 0.000 2.451 108 D HA 0.318 4.959 4.640 0.002 0.000 0.254 108 D C -1.511 174.837 176.300 0.080 0.000 1.204 108 D CA -0.749 53.313 54.000 0.104 0.000 0.896 108 D CB 0.873 41.741 40.800 0.114 0.000 1.136 108 D HN 0.108 nan 8.370 nan 0.000 0.499 109 P HA -0.211 nan 4.420 nan 0.000 0.216 109 P C 0.848 178.151 177.300 0.005 0.000 1.154 109 P CA 1.628 64.715 63.100 -0.022 0.000 0.865 109 P CB 0.168 31.850 31.700 -0.030 0.000 0.789 110 K N -0.333 120.089 120.400 0.037 0.000 2.097 110 K HA -0.147 4.174 4.320 0.002 0.000 0.206 110 K C 2.033 178.690 176.600 0.095 0.000 1.049 110 K CA 1.256 57.575 56.287 0.053 0.000 0.933 110 K CB -0.335 32.191 32.500 0.045 0.000 0.717 110 K HN 0.322 nan 8.250 nan 0.000 0.442 111 E N 0.984 121.267 120.200 0.138 0.000 2.072 111 E HA -0.131 4.221 4.350 0.002 0.000 0.191 111 E C 2.172 178.972 176.600 0.332 0.000 0.985 111 E CA 0.742 57.280 56.400 0.230 0.000 0.801 111 E CB -0.098 29.778 29.700 0.292 0.000 0.750 111 E HN 0.230 nan 8.360 nan 0.000 0.452 112 L N 1.000 122.358 121.223 0.225 0.000 1.994 112 L HA -0.220 4.122 4.340 0.002 0.000 0.208 112 L C 2.618 179.618 176.870 0.217 0.000 1.071 112 L CA 1.204 56.114 54.840 0.117 0.000 0.745 112 L CB -0.392 41.579 42.059 -0.147 0.000 0.892 112 L HN 0.037 nan 8.230 nan 0.000 0.431 113 K N 0.537 121.010 120.400 0.121 0.000 2.063 113 K HA -0.166 4.155 4.320 0.002 0.000 0.208 113 K C 1.972 178.698 176.600 0.211 0.000 1.048 113 K CA 1.686 58.099 56.287 0.210 0.000 0.928 113 K CB -0.400 32.161 32.500 0.101 0.000 0.713 113 K HN 0.266 nan 8.250 nan 0.000 0.442 114 A N 0.495 123.416 122.820 0.168 0.000 1.877 114 A HA -0.148 4.174 4.320 0.002 0.000 0.216 114 A C 2.205 179.879 177.584 0.149 0.000 1.186 114 A CA 1.900 54.019 52.037 0.136 0.000 0.620 114 A CB -0.597 18.471 19.000 0.115 0.000 0.822 114 A HN 0.331 nan 8.150 nan 0.000 0.443 115 R N 0.021 120.654 120.500 0.221 0.000 2.075 115 R HA -0.027 4.315 4.340 0.002 0.000 0.232 115 R C 2.143 178.526 176.300 0.139 0.000 1.126 115 R CA 1.887 58.117 56.100 0.216 0.000 0.963 115 R CB -1.300 29.218 30.300 0.364 0.000 0.858 115 R HN 0.388 nan 8.270 nan 0.000 0.435 116 G N 0.279 109.183 108.800 0.173 0.000 2.433 116 G HA2 -0.251 3.711 3.960 0.002 0.000 0.216 116 G HA3 -0.251 3.711 3.960 0.002 0.000 0.216 116 G C 0.991 175.870 174.900 -0.035 0.000 1.186 116 G CA 0.995 46.099 45.100 0.006 0.000 0.779 116 G HN 0.347 nan 8.290 nan 0.000 0.543 117 D N 1.101 121.520 120.400 0.033 0.000 2.149 117 D HA -0.066 4.575 4.640 0.002 0.000 0.198 117 D C 2.760 179.045 176.300 -0.024 0.000 0.990 117 D CA 1.252 55.251 54.000 -0.001 0.000 0.839 117 D CB -0.396 40.423 40.800 0.032 0.000 0.948 117 D HN 0.333 nan 8.370 nan 0.000 0.460 118 A N 0.292 123.112 122.820 -0.000 0.000 1.968 118 A HA -0.033 4.289 4.320 0.002 0.000 0.217 118 A C 2.225 179.773 177.584 -0.060 0.000 1.169 118 A CA 0.659 52.687 52.037 -0.016 0.000 0.638 118 A CB -0.439 18.572 19.000 0.019 0.000 0.812 118 A HN 0.211 nan 8.150 nan 0.000 0.446 119 L N -1.403 119.782 121.223 -0.064 0.000 2.567 119 L HA 0.230 4.571 4.340 0.002 0.000 0.225 119 L C 1.490 178.264 176.870 -0.160 0.000 1.119 119 L CA 0.495 55.271 54.840 -0.106 0.000 0.871 119 L CB -0.019 41.997 42.059 -0.072 0.000 1.036 119 L HN 0.543 nan 8.230 nan 0.000 0.459 120 G N 1.042 109.749 108.800 -0.155 0.000 2.182 120 G HA2 -0.253 3.708 3.960 0.002 0.000 0.248 120 G HA3 -0.253 3.708 3.960 0.002 0.000 0.248 120 G C -0.170 174.603 174.900 -0.211 0.000 1.042 120 G CA -0.108 44.886 45.100 -0.177 0.000 0.775 120 G HN 0.217 nan 8.290 nan 0.000 0.501 121 L N -0.294 120.787 121.223 -0.237 0.000 2.346 121 L HA 0.818 5.159 4.340 0.002 0.000 0.274 121 L C 0.976 177.574 176.870 -0.453 0.000 1.007 121 L CA -0.544 54.094 54.840 -0.337 0.000 0.818 121 L CB 2.020 43.862 42.059 -0.360 0.000 1.284 121 L HN 0.231 nan 8.230 nan 0.000 0.424 122 G N 0.667 109.182 108.800 -0.476 0.000 2.820 122 G HA2 0.730 4.691 3.960 0.002 0.000 0.291 122 G HA3 0.730 4.691 3.960 0.002 0.000 0.291 122 G C -1.481 173.004 174.900 -0.692 0.000 1.323 122 G CA -0.424 44.403 45.100 -0.455 0.000 1.055 122 G HN 0.281 nan 8.290 nan 0.000 0.520 123 F N -0.147 119.760 119.950 -0.071 0.000 2.507 123 F HA 0.367 4.895 4.527 0.002 0.000 0.325 123 F C 0.424 176.176 175.800 -0.078 0.000 1.116 123 F CA -0.823 57.141 58.000 -0.060 0.000 0.930 123 F CB 2.235 41.211 39.000 -0.039 0.000 1.146 123 F HN 0.353 nan 8.300 nan 0.000 0.447 124 D N 1.149 121.606 120.400 0.095 0.000 2.475 124 D HA 0.499 5.140 4.640 0.002 0.000 0.286 124 D C -0.108 176.210 176.300 0.030 0.000 1.205 124 D CA -0.261 53.760 54.000 0.034 0.000 1.092 124 D CB 1.293 42.115 40.800 0.038 0.000 1.147 124 D HN 0.614 nan 8.370 nan 0.000 0.575 125 A N 0.659 123.504 122.820 0.041 0.000 2.531 125 A HA 0.155 4.476 4.320 0.002 0.000 0.236 125 A C 0.608 178.238 177.584 0.076 0.000 1.062 125 A CA 0.102 52.152 52.037 0.021 0.000 0.760 125 A CB 0.031 19.137 19.000 0.175 0.000 0.995 125 A HN 0.411 nan 8.150 nan 0.000 0.501 126 M N 2.108 121.720 119.600 0.021 0.000 2.228 126 M HA 0.208 4.690 4.480 0.002 0.000 0.326 126 M C 0.070 176.397 176.300 0.045 0.000 1.122 126 M CA 0.195 55.531 55.300 0.059 0.000 1.161 126 M CB 0.149 32.796 32.600 0.078 0.000 1.437 126 M HN 0.669 nan 8.290 nan 0.000 0.465 127 N N 0.854 119.520 118.700 -0.057 0.000 2.399 127 N HA 0.312 5.053 4.740 0.002 0.000 0.284 127 N C -0.914 174.367 175.510 -0.382 0.000 1.025 127 N CA -0.233 52.662 53.050 -0.257 0.000 0.885 127 N CB 1.876 40.019 38.487 -0.574 0.000 1.339 127 N HN 0.632 nan 8.380 nan 0.000 0.487 128 S N 1.525 117.126 115.700 -0.166 0.000 2.652 128 S HA 0.346 4.818 4.470 0.002 0.000 0.270 128 S C -0.011 174.630 174.600 0.068 0.000 1.243 128 S CA -0.700 57.496 58.200 -0.006 0.000 0.999 128 S CB 1.557 64.772 63.200 0.026 0.000 0.973 128 S HN 0.554 nan 8.310 nan 0.000 0.544 129 N N 0.729 119.516 118.700 0.144 0.000 2.617 129 N HA 0.252 4.993 4.740 0.002 0.000 0.263 129 N C -0.610 174.496 175.510 -0.675 0.000 1.074 129 N CA -0.363 52.413 53.050 -0.457 0.000 0.841 129 N CB 1.296 39.361 38.487 -0.703 0.000 1.221 129 N HN 0.858 nan 8.380 nan 0.000 0.529 130 T N -0.020 114.179 114.554 -0.591 0.000 3.380 130 T HA 0.221 4.572 4.350 0.002 0.000 0.289 130 T C 0.401 174.743 174.700 -0.597 0.000 1.012 130 T CA -0.488 61.107 62.100 -0.841 0.000 0.944 130 T CB -1.204 67.052 68.868 -1.021 0.000 1.172 130 T HN 0.253 nan 8.240 nan 0.000 0.502 131 F N 0.484 120.291 119.950 -0.237 0.000 2.654 131 F HA 0.671 5.199 4.527 0.002 0.000 0.303 131 F C 0.118 175.923 175.800 0.009 0.000 1.099 131 F CA -1.075 56.829 58.000 -0.159 0.000 1.270 131 F CB -0.218 38.651 39.000 -0.218 0.000 1.024 131 F HN 0.312 nan 8.300 nan 0.000 0.548 132 S N -1.334 114.327 115.700 -0.064 0.000 2.565 132 S HA 0.470 4.942 4.470 0.002 0.000 0.269 132 S C -1.778 172.849 174.600 0.045 0.000 1.153 132 S CA -0.959 57.268 58.200 0.044 0.000 0.835 132 S CB 2.021 65.248 63.200 0.044 0.000 1.122 132 S HN 0.012 nan 8.310 nan 0.000 0.462 133 D N 1.233 121.647 120.400 0.024 0.000 2.198 133 D HA 0.696 5.337 4.640 0.002 0.000 0.245 133 D C 0.030 176.306 176.300 -0.040 0.000 1.079 133 D CA 0.021 53.992 54.000 -0.049 0.000 0.854 133 D CB 1.719 42.469 40.800 -0.083 0.000 1.148 133 D HN 0.859 nan 8.370 nan 0.000 0.456 134 A N 2.974 125.754 122.820 -0.068 0.000 2.294 134 A HA 0.666 4.987 4.320 0.002 0.000 0.330 134 A C -2.366 175.193 177.584 -0.041 0.000 1.133 134 A CA -1.400 50.617 52.037 -0.033 0.000 0.836 134 A CB 0.348 19.326 19.000 -0.035 0.000 1.190 134 A HN 0.320 nan 8.150 nan 0.000 0.492 135 P HA 0.296 nan 4.420 nan 0.000 0.266 135 P C 0.940 178.219 177.300 -0.035 0.000 1.195 135 P CA 1.814 64.902 63.100 -0.021 0.000 0.768 135 P CB 0.602 32.302 31.700 0.000 0.000 0.838 136 G N 1.196 109.967 108.800 -0.048 0.000 2.168 136 G HA2 -0.315 3.647 3.960 0.002 0.000 0.263 136 G HA3 -0.315 3.647 3.960 0.002 0.000 0.263 136 G C 0.271 175.118 174.900 -0.088 0.000 0.977 136 G CA -0.015 45.051 45.100 -0.058 0.000 0.659 136 G HN 0.666 nan 8.290 nan 0.000 0.533 137 Q N 0.001 119.734 119.800 -0.112 0.000 2.311 137 Q HA 0.602 4.943 4.340 0.002 0.000 0.272 137 Q C 1.689 177.562 176.000 -0.212 0.000 1.012 137 Q CA 0.551 56.255 55.803 -0.164 0.000 0.891 137 Q CB 0.788 29.400 28.738 -0.210 0.000 1.201 137 Q HN 0.634 nan 8.270 nan 0.000 0.391 138 A N 5.023 127.684 122.820 -0.265 0.000 1.897 138 A HA -0.054 4.267 4.320 0.002 0.000 0.215 138 A C 0.180 177.402 177.584 -0.604 0.000 1.181 138 A CA 0.976 52.755 52.037 -0.429 0.000 0.620 138 A CB 0.028 18.724 19.000 -0.506 0.000 0.821 138 A HN 0.788 nan 8.150 nan 0.000 0.443 139 H N -0.634 118.301 119.070 -0.225 0.000 2.529 139 H HA 0.433 4.990 4.556 0.002 0.000 0.348 139 H C -0.655 174.416 175.328 -0.429 0.000 1.079 139 H CA -0.532 55.354 56.048 -0.269 0.000 1.198 139 H CB 1.535 31.142 29.762 -0.258 0.000 1.521 139 H HN 0.238 nan 8.280 nan 0.000 0.514 140 S N 1.746 117.332 115.700 -0.190 0.000 2.580 140 S HA 0.092 4.563 4.470 0.002 0.000 0.274 140 S C 0.074 174.566 174.600 -0.180 0.000 1.329 140 S CA -0.376 57.682 58.200 -0.237 0.000 1.036 140 S CB 0.268 63.413 63.200 -0.091 0.000 0.919 140 S HN 0.450 nan 8.310 nan 0.000 0.515 141 Y N 2.690 122.989 120.300 -0.002 0.000 2.532 141 Y HA 0.304 4.855 4.550 0.002 0.000 0.283 141 Y C 1.787 177.700 175.900 0.022 0.000 1.181 141 Y CA -0.507 57.615 58.100 0.036 0.000 1.256 141 Y CB -0.483 37.963 38.460 -0.022 0.000 1.112 141 Y HN 0.737 nan 8.280 nan 0.000 0.521 142 K N 0.055 120.484 120.400 0.048 0.000 2.059 142 K HA -0.227 4.095 4.320 0.002 0.000 0.212 142 K C 0.290 176.744 176.600 -0.243 0.000 1.050 142 K CA 1.956 58.128 56.287 -0.192 0.000 0.927 142 K CB -0.194 32.027 32.500 -0.464 0.000 0.714 142 K HN 0.303 nan 8.250 nan 0.000 0.447 143 Y N -0.144 120.260 120.300 0.174 0.000 2.571 143 Y HA 0.342 4.893 4.550 0.002 0.000 0.275 143 Y C 0.609 176.497 175.900 -0.019 0.000 1.179 143 Y CA 0.165 58.281 58.100 0.026 0.000 1.242 143 Y CB 0.951 39.346 38.460 -0.108 0.000 1.126 143 Y HN 0.326 nan 8.280 nan 0.000 0.524 144 G N -0.686 108.270 108.800 0.261 0.000 2.354 144 G HA2 0.202 4.163 3.960 0.002 0.000 0.582 144 G HA3 0.202 4.163 3.960 0.002 0.000 0.582 144 G C 0.005 175.112 174.900 0.345 0.000 1.316 144 G CA -0.241 44.987 45.100 0.213 0.000 0.995 144 G HN 0.298 nan 8.290 nan 0.000 0.573 145 S N -1.251 114.540 115.700 0.151 0.000 4.163 145 S HA 0.351 4.822 4.470 0.002 0.000 0.164 145 S C 2.027 176.665 174.600 0.062 0.000 0.896 145 S CA 0.598 58.809 58.200 0.019 0.000 1.125 145 S CB -0.245 62.643 63.200 -0.521 0.000 1.698 145 S HN 0.911 nan 8.310 nan 0.000 0.817 146 L N 2.808 124.026 121.223 -0.009 0.000 2.265 146 L HA 0.062 4.404 4.340 0.002 0.000 0.215 146 L C 2.123 179.043 176.870 0.084 0.000 1.117 146 L CA 1.467 56.310 54.840 0.005 0.000 0.782 146 L CB -0.490 41.527 42.059 -0.070 0.000 0.914 146 L HN 0.709 nan 8.230 nan 0.000 0.441 147 S N -3.232 112.562 115.700 0.157 0.000 2.593 147 S HA 0.055 4.526 4.470 0.002 0.000 0.236 147 S C 0.667 175.360 174.600 0.155 0.000 0.991 147 S CA -0.614 57.691 58.200 0.174 0.000 0.963 147 S CB -0.306 63.023 63.200 0.217 0.000 0.865 147 S HN 0.294 nan 8.310 nan 0.000 0.488 148 H N 2.837 121.958 119.070 0.085 0.000 2.948 148 H HA 0.057 4.615 4.556 0.002 0.000 0.351 148 H C 1.616 176.979 175.328 0.058 0.000 1.079 148 H CA 1.680 57.784 56.048 0.093 0.000 1.407 148 H CB 1.452 31.282 29.762 0.115 0.000 1.373 148 H HN 0.453 nan 8.280 nan 0.000 0.605 149 T N 1.037 115.638 114.554 0.078 0.000 2.915 149 T HA -0.163 4.189 4.350 0.002 0.000 0.269 149 T C 0.965 175.778 174.700 0.188 0.000 1.071 149 T CA 0.643 62.804 62.100 0.101 0.000 1.132 149 T CB -0.085 68.779 68.868 -0.007 0.000 0.878 149 T HN 0.422 nan 8.240 nan 0.000 0.479 150 N N 1.215 120.160 118.700 0.409 0.000 2.411 150 N HA 0.513 5.255 4.740 0.002 0.000 0.259 150 N C 1.132 176.637 175.510 -0.008 0.000 1.103 150 N CA 0.364 53.487 53.050 0.122 0.000 0.954 150 N CB 1.005 39.478 38.487 -0.023 0.000 1.085 150 N HN 0.245 nan 8.380 nan 0.000 0.485 151 A N 4.058 126.859 122.820 -0.032 0.000 1.917 151 A HA -0.174 4.147 4.320 0.002 0.000 0.219 151 A C 2.091 179.609 177.584 -0.110 0.000 1.182 151 A CA 2.030 54.037 52.037 -0.050 0.000 0.633 151 A CB -1.178 17.799 19.000 -0.038 0.000 0.819 151 A HN 0.772 nan 8.150 nan 0.000 0.448 152 A N -1.242 121.458 122.820 -0.201 0.000 1.972 152 A HA -0.069 4.253 4.320 0.002 0.000 0.219 152 A C 2.271 179.622 177.584 -0.388 0.000 1.169 152 A CA 2.250 54.109 52.037 -0.297 0.000 0.635 152 A CB -1.113 17.631 19.000 -0.427 0.000 0.810 152 A HN 0.458 nan 8.150 nan 0.000 0.446 153 T N -0.393 113.880 114.554 -0.468 0.000 2.812 153 T HA -0.091 4.260 4.350 0.002 0.000 0.264 153 T C 2.039 176.716 174.700 -0.037 0.000 1.042 153 T CA 1.306 63.217 62.100 -0.315 0.000 1.140 153 T CB -0.202 68.326 68.868 -0.567 0.000 0.870 153 T HN 0.517 nan 8.240 nan 0.000 0.445 154 R N 1.129 121.611 120.500 -0.030 0.000 2.096 154 R HA 0.060 4.402 4.340 0.002 0.000 0.235 154 R C 2.817 179.122 176.300 0.009 0.000 1.127 154 R CA 1.235 57.349 56.100 0.023 0.000 0.968 154 R CB -0.477 29.834 30.300 0.018 0.000 0.861 154 R HN 0.355 nan 8.270 nan 0.000 0.440 155 A N 1.192 124.004 122.820 -0.014 0.000 1.902 155 A HA -0.237 4.084 4.320 0.002 0.000 0.217 155 A C 2.132 179.736 177.584 0.033 0.000 1.181 155 A CA 1.354 53.389 52.037 -0.003 0.000 0.623 155 A CB -0.490 18.500 19.000 -0.016 0.000 0.818 155 A HN 0.381 nan 8.150 nan 0.000 0.443 156 Q N -0.502 119.337 119.800 0.065 0.000 2.124 156 Q HA -0.117 4.224 4.340 0.002 0.000 0.202 156 Q C 2.140 178.243 176.000 0.172 0.000 0.977 156 Q CA 1.543 57.419 55.803 0.123 0.000 0.850 156 Q CB -0.328 28.505 28.738 0.158 0.000 0.901 156 Q HN 0.591 nan 8.270 nan 0.000 0.429 157 A N -0.026 122.902 122.820 0.181 0.000 1.898 157 A HA -0.103 4.218 4.320 0.002 0.000 0.216 157 A C 2.196 179.820 177.584 0.066 0.000 1.181 157 A CA 1.363 53.468 52.037 0.114 0.000 0.620 157 A CB -0.636 18.353 19.000 -0.019 0.000 0.819 157 A HN 0.299 nan 8.150 nan 0.000 0.442 158 V N 0.139 120.068 119.914 0.026 0.000 2.295 158 V HA -0.241 3.881 4.120 0.002 0.000 0.246 158 V C 2.628 178.720 176.094 -0.004 0.000 1.049 158 V CA 2.433 64.725 62.300 -0.012 0.000 1.024 158 V CB -0.675 31.130 31.823 -0.030 0.000 0.648 158 V HN 0.731 nan 8.190 nan 0.000 0.447 159 E N -0.052 120.162 120.200 0.024 0.000 2.118 159 E HA -0.271 4.081 4.350 0.002 0.000 0.195 159 E C 2.207 178.822 176.600 0.025 0.000 0.992 159 E CA 1.803 58.212 56.400 0.015 0.000 0.804 159 E CB -0.512 29.207 29.700 0.033 0.000 0.741 159 E HN 0.756 nan 8.360 nan 0.000 0.458 160 H N 0.055 119.119 119.070 -0.010 0.000 2.321 160 H HA -0.072 4.485 4.556 0.002 0.000 0.300 160 H C 1.676 176.979 175.328 -0.042 0.000 1.087 160 H CA 1.644 57.682 56.048 -0.017 0.000 1.319 160 H CB 0.011 29.775 29.762 0.003 0.000 1.379 160 H HN 0.209 nan 8.280 nan 0.000 0.501 161 N N 0.712 119.312 118.700 -0.166 0.000 2.166 161 N HA -0.119 4.622 4.740 0.002 0.000 0.186 161 N C 2.304 177.695 175.510 -0.198 0.000 1.019 161 N CA 0.935 53.859 53.050 -0.211 0.000 0.856 161 N CB -0.035 38.398 38.487 -0.090 0.000 0.993 161 N HN 0.397 nan 8.380 nan 0.000 0.426 162 L N 1.115 122.246 121.223 -0.153 0.000 2.141 162 L HA -0.107 4.234 4.340 0.002 0.000 0.209 162 L C 2.447 179.213 176.870 -0.172 0.000 1.094 162 L CA 0.904 55.648 54.840 -0.160 0.000 0.763 162 L CB -0.333 41.653 42.059 -0.122 0.000 0.908 162 L HN 0.221 nan 8.230 nan 0.000 0.437 163 E N -0.176 119.923 120.200 -0.168 0.000 2.106 163 E HA -0.217 4.134 4.350 0.002 0.000 0.192 163 E C 2.312 178.810 176.600 -0.169 0.000 0.984 163 E CA 1.389 57.700 56.400 -0.148 0.000 0.806 163 E CB 0.046 29.676 29.700 -0.117 0.000 0.750 163 E HN 0.532 nan 8.360 nan 0.000 0.458 164 C N 0.401 119.556 119.300 -0.241 0.000 2.425 164 C HA -0.064 4.397 4.460 0.002 0.000 0.277 164 C C 2.518 177.471 174.990 -0.061 0.000 1.280 164 C CA 0.305 59.219 59.018 -0.173 0.000 1.744 164 C CB -0.803 26.802 27.740 -0.226 0.000 1.989 164 C HN 0.493 nan 8.230 nan 0.000 0.491 165 I N 0.675 121.166 120.570 -0.132 0.000 2.252 165 I HA -0.156 4.015 4.170 0.002 0.000 0.245 165 I C 2.588 178.550 176.117 -0.259 0.000 1.102 165 I CA 1.285 62.420 61.300 -0.276 0.000 1.385 165 I CB -0.542 37.156 38.000 -0.503 0.000 1.064 165 I HN 0.310 nan 8.210 nan 0.000 0.414 166 E N 0.903 120.984 120.200 -0.198 0.000 2.077 166 E HA -0.187 4.164 4.350 0.002 0.000 0.193 166 E C 2.264 178.820 176.600 -0.073 0.000 0.989 166 E CA 1.357 57.670 56.400 -0.146 0.000 0.800 166 E CB -0.248 29.380 29.700 -0.120 0.000 0.746 166 E HN 0.539 nan 8.360 nan 0.000 0.452 167 I N 0.484 121.023 120.570 -0.052 0.000 2.252 167 I HA -0.164 4.008 4.170 0.002 0.000 0.245 167 I C 2.471 178.586 176.117 -0.003 0.000 1.102 167 I CA 1.209 62.487 61.300 -0.037 0.000 1.385 167 I CB -0.529 37.444 38.000 -0.045 0.000 1.064 167 I HN 0.106 nan 8.210 nan 0.000 0.414 168 G N 0.979 109.842 108.800 0.104 0.000 2.418 168 G HA2 -0.229 3.733 3.960 0.002 0.000 0.217 168 G HA3 -0.229 3.733 3.960 0.002 0.000 0.217 168 G C 1.719 176.804 174.900 0.309 0.000 1.158 168 G CA 0.567 45.815 45.100 0.247 0.000 0.771 168 G HN 0.316 nan 8.290 nan 0.000 0.545 169 K N 0.594 121.164 120.400 0.282 0.000 2.097 169 K HA 0.042 4.363 4.320 0.002 0.000 0.206 169 K C 2.838 179.495 176.600 0.096 0.000 1.049 169 K CA 1.062 57.470 56.287 0.201 0.000 0.933 169 K CB -0.191 32.297 32.500 -0.020 0.000 0.717 169 K HN 0.275 nan 8.250 nan 0.000 0.442 170 A N 1.446 124.285 122.820 0.032 0.000 2.014 170 A HA -0.063 4.258 4.320 0.002 0.000 0.218 170 A C 1.997 179.572 177.584 -0.015 0.000 1.163 170 A CA 1.096 53.133 52.037 0.000 0.000 0.652 170 A CB -0.570 18.416 19.000 -0.023 0.000 0.808 170 A HN 0.480 nan 8.150 nan 0.000 0.449 171 I N -5.965 114.572 120.570 -0.055 0.000 3.956 171 I HA 0.513 4.684 4.170 0.002 0.000 0.333 171 I C 1.105 177.236 176.117 0.023 0.000 1.302 171 I CA 0.674 61.895 61.300 -0.131 0.000 1.122 171 I CB 0.413 38.090 38.000 -0.539 0.000 1.013 171 I HN 0.309 nan 8.210 nan 0.000 0.405 172 G N 1.453 110.294 108.800 0.068 0.000 2.168 172 G HA2 -0.249 3.713 3.960 0.002 0.000 0.197 172 G HA3 -0.249 3.713 3.960 0.002 0.000 0.197 172 G C 0.291 175.224 174.900 0.055 0.000 0.997 172 G CA 0.190 45.350 45.100 0.100 0.000 0.658 172 G HN 0.519 nan 8.290 nan 0.000 0.513 173 S N -0.237 115.475 115.700 0.021 0.000 2.593 173 S HA 0.614 5.085 4.470 0.002 0.000 0.269 173 S C 0.893 175.157 174.600 -0.559 0.000 1.334 173 S CA 0.238 58.331 58.200 -0.178 0.000 1.015 173 S CB 0.764 63.867 63.200 -0.163 0.000 0.912 173 S HN 0.187 nan 8.310 nan 0.000 0.541 174 K N 1.382 121.218 120.400 -0.940 0.000 2.619 174 K HA 0.475 4.796 4.320 0.002 0.000 0.201 174 K C -0.619 175.011 176.600 -1.616 0.000 1.090 174 K CA -0.038 55.363 56.287 -1.476 0.000 1.063 174 K CB 0.714 32.847 32.500 -0.612 0.000 0.810 174 K HN 0.604 nan 8.250 nan 0.000 0.506 175 A N 0.680 122.527 122.820 -1.621 0.000 2.597 175 A HA 0.646 4.967 4.320 0.002 0.000 0.292 175 A C -2.153 175.174 177.584 -0.429 0.000 1.057 175 A CA -0.736 50.796 52.037 -0.842 0.000 0.674 175 A CB 1.250 19.898 19.000 -0.587 0.000 1.278 175 A HN 0.094 nan 8.150 nan 0.000 0.416 176 L N 0.819 121.972 121.223 -0.117 0.000 2.376 176 L HA 0.777 5.119 4.340 0.002 0.000 0.275 176 L C -0.516 176.379 176.870 0.042 0.000 0.987 176 L CA 0.268 55.145 54.840 0.063 0.000 0.828 176 L CB 2.039 44.199 42.059 0.169 0.000 1.249 176 L HN 0.650 nan 8.230 nan 0.000 0.409 177 T N 4.612 119.244 114.554 0.130 0.000 2.767 177 T HA 0.571 4.922 4.350 0.002 0.000 0.284 177 T C -0.613 174.184 174.700 0.163 0.000 0.973 177 T CA -0.292 61.936 62.100 0.214 0.000 0.996 177 T CB 1.178 70.205 68.868 0.265 0.000 0.927 177 T HN 0.362 nan 8.240 nan 0.000 0.456 178 V N 4.633 124.657 119.914 0.184 0.000 2.313 178 V HA 0.445 4.566 4.120 0.002 0.000 0.278 178 V C -0.867 175.380 176.094 0.255 0.000 1.017 178 V CA -0.980 61.426 62.300 0.177 0.000 0.823 178 V CB 0.775 32.675 31.823 0.128 0.000 1.010 178 V HN 0.907 nan 8.190 nan 0.000 0.443 179 W N 8.401 129.770 121.300 0.115 0.000 2.600 179 W HA 0.810 5.471 4.660 0.002 0.000 0.325 179 W C -0.792 175.808 176.519 0.136 0.000 1.034 179 W CA -0.920 56.485 57.345 0.100 0.000 1.226 179 W CB 1.313 30.814 29.460 0.068 0.000 1.379 179 W HN 0.597 nan 8.180 nan 0.000 0.466 180 I N 2.829 122.837 120.570 -0.936 0.000 3.002 180 I HA 0.808 4.979 4.170 0.002 0.000 0.310 180 I C 0.779 176.131 176.117 -1.274 0.000 1.087 180 I CA -1.183 59.590 61.300 -0.878 0.000 1.017 180 I CB 2.161 39.966 38.000 -0.325 0.000 1.226 180 I HN 0.648 nan 8.210 nan 0.000 0.443 181 G N 1.249 109.535 108.800 -0.857 0.000 3.042 181 G HA2 0.046 4.007 3.960 0.002 0.000 0.212 181 G HA3 0.046 4.007 3.960 0.002 0.000 0.212 181 G C -0.003 174.719 174.900 -0.296 0.000 1.166 181 G CA -0.134 44.621 45.100 -0.574 0.000 0.767 181 G HN 0.733 nan 8.290 nan 0.000 0.546 182 D N 0.967 121.224 120.400 -0.237 0.000 2.772 182 D HA 0.392 5.033 4.640 0.002 0.000 0.227 182 D C 0.924 177.167 176.300 -0.095 0.000 1.114 182 D CA 1.794 55.730 54.000 -0.106 0.000 0.832 182 D CB 0.733 41.505 40.800 -0.048 0.000 1.154 182 D HN 0.377 nan 8.370 nan 0.000 0.514 183 G N 0.124 108.903 108.800 -0.035 0.000 2.356 183 G HA2 0.535 4.496 3.960 0.002 0.000 0.281 183 G HA3 0.535 4.496 3.960 0.002 0.000 0.281 183 G C -1.379 173.560 174.900 0.065 0.000 1.246 183 G CA -0.202 44.893 45.100 -0.008 0.000 0.889 183 G HN 0.726 nan 8.290 nan 0.000 0.486 184 S N -1.244 114.522 115.700 0.110 0.000 2.595 184 S HA 0.640 5.111 4.470 0.002 0.000 0.281 184 S C -0.380 174.324 174.600 0.174 0.000 1.117 184 S CA -0.753 57.562 58.200 0.192 0.000 0.873 184 S CB 2.243 65.626 63.200 0.306 0.000 1.108 184 S HN 0.397 nan 8.310 nan 0.000 0.477 185 N N -0.386 118.371 118.700 0.097 0.000 2.205 185 N HA 0.418 5.160 4.740 0.002 0.000 0.201 185 N C -1.449 173.726 175.510 -0.558 0.000 1.128 185 N CA 0.200 53.138 53.050 -0.187 0.000 0.867 185 N CB 0.020 38.289 38.487 -0.363 0.000 0.996 185 N HN 0.589 nan 8.380 nan 0.000 0.503 186 F N -0.138 119.890 119.950 0.129 0.000 2.591 186 F HA 0.444 4.972 4.527 0.001 0.000 0.309 186 F C -2.300 173.295 175.800 -0.342 0.000 1.098 186 F CA -2.486 55.445 58.000 -0.116 0.000 0.937 186 F CB 1.804 40.769 39.000 -0.058 0.000 1.250 186 F HN -0.296 nan 8.300 nan 0.000 0.447 187 P HA 0.226 nan 4.420 nan 0.000 0.265 187 P C 0.701 177.902 177.300 -0.166 0.000 1.193 187 P CA 1.238 63.993 63.100 -0.574 0.000 0.765 187 P CB 0.729 32.133 31.700 -0.492 0.000 0.823 188 G N 2.258 110.982 108.800 -0.126 0.000 2.284 188 G HA2 -0.367 3.594 3.960 0.002 0.000 0.247 188 G HA3 -0.367 3.594 3.960 0.002 0.000 0.247 188 G C 1.288 176.148 174.900 -0.066 0.000 1.012 188 G CA 0.516 45.550 45.100 -0.111 0.000 0.618 188 G HN 0.568 nan 8.290 nan 0.000 0.521 189 Q N 0.624 120.431 119.800 0.011 0.000 2.112 189 Q HA 0.054 4.395 4.340 0.002 0.000 0.206 189 Q C 0.922 176.928 176.000 0.011 0.000 0.987 189 Q CA 1.824 57.654 55.803 0.045 0.000 0.858 189 Q CB -0.097 28.747 28.738 0.176 0.000 0.905 189 Q HN 0.565 nan 8.270 nan 0.000 0.420 190 S N 0.638 116.352 115.700 0.024 0.000 2.536 190 S HA 0.295 4.766 4.470 0.002 0.000 0.298 190 S C -0.843 173.689 174.600 -0.114 0.000 1.083 190 S CA -0.906 57.299 58.200 0.008 0.000 0.995 190 S CB 1.551 64.823 63.200 0.121 0.000 1.058 190 S HN 0.321 nan 8.310 nan 0.000 0.488 191 N N 1.855 120.511 118.700 -0.073 0.000 2.462 191 N HA 0.149 4.890 4.740 0.002 0.000 0.242 191 N C 0.328 175.852 175.510 0.023 0.000 1.010 191 N CA -0.302 52.678 53.050 -0.118 0.000 0.939 191 N CB 0.124 38.582 38.487 -0.049 0.000 1.127 191 N HN 0.378 nan 8.380 nan 0.000 0.509 192 F N 2.158 122.134 119.950 0.043 0.000 2.063 192 F HA -0.217 4.311 4.527 0.002 0.000 0.298 192 F C 2.459 178.293 175.800 0.057 0.000 1.109 192 F CA 1.300 59.314 58.000 0.024 0.000 1.212 192 F CB -1.291 37.704 39.000 -0.007 0.000 0.973 192 F HN 0.421 nan 8.300 nan 0.000 0.480 193 T N 0.324 115.034 114.554 0.260 0.000 2.701 193 T HA -0.134 4.217 4.350 0.002 0.000 0.263 193 T C 2.158 176.965 174.700 0.179 0.000 1.040 193 T CA 1.181 63.407 62.100 0.211 0.000 1.147 193 T CB -0.137 68.817 68.868 0.143 0.000 0.865 193 T HN 0.033 nan 8.240 nan 0.000 0.426 194 R N 1.434 122.005 120.500 0.117 0.000 2.096 194 R HA 0.109 4.450 4.340 0.002 0.000 0.235 194 R C 2.701 179.068 176.300 0.112 0.000 1.127 194 R CA 1.367 57.517 56.100 0.084 0.000 0.968 194 R CB -1.250 29.077 30.300 0.045 0.000 0.861 194 R HN 0.460 nan 8.270 nan 0.000 0.440 195 A N 0.645 123.552 122.820 0.144 0.000 1.902 195 A HA -0.171 4.151 4.320 0.002 0.000 0.217 195 A C 2.020 179.751 177.584 0.244 0.000 1.181 195 A CA 1.151 53.286 52.037 0.163 0.000 0.623 195 A CB -0.647 18.449 19.000 0.160 0.000 0.818 195 A HN 0.265 nan 8.150 nan 0.000 0.443 196 F N 1.154 121.144 119.950 0.067 0.000 2.186 196 F HA -0.080 4.449 4.527 0.002 0.000 0.299 196 F C 2.123 177.987 175.800 0.107 0.000 1.090 196 F CA 1.668 59.704 58.000 0.060 0.000 1.307 196 F CB -0.530 38.475 39.000 0.008 0.000 1.019 196 F HN 0.406 nan 8.300 nan 0.000 0.489 197 E N -0.194 120.034 120.200 0.047 0.000 2.077 197 E HA -0.218 4.133 4.350 0.002 0.000 0.193 197 E C 2.328 178.903 176.600 -0.042 0.000 0.989 197 E CA 1.234 57.588 56.400 -0.077 0.000 0.800 197 E CB -0.210 29.478 29.700 -0.020 0.000 0.746 197 E HN 0.419 nan 8.360 nan 0.000 0.452 198 R N -0.061 120.462 120.500 0.039 0.000 2.081 198 R HA -0.167 4.174 4.340 0.002 0.000 0.235 198 R C 2.351 178.680 176.300 0.048 0.000 1.131 198 R CA 1.415 57.540 56.100 0.041 0.000 0.960 198 R CB -0.454 29.890 30.300 0.074 0.000 0.856 198 R HN 0.281 nan 8.270 nan 0.000 0.436 199 Y N 1.740 122.031 120.300 -0.016 0.000 2.145 199 Y HA -0.199 4.352 4.550 0.002 0.000 0.286 199 Y C 1.999 177.848 175.900 -0.086 0.000 1.145 199 Y CA 1.501 59.596 58.100 -0.009 0.000 1.148 199 Y CB -0.322 38.197 38.460 0.098 0.000 0.981 199 Y HN -0.070 nan 8.280 nan 0.000 0.507 200 L N -0.787 120.397 121.223 -0.065 0.000 2.042 200 L HA -0.250 4.091 4.340 0.002 0.000 0.210 200 L C 2.842 179.584 176.870 -0.213 0.000 1.076 200 L CA 1.707 56.418 54.840 -0.215 0.000 0.749 200 L CB -0.853 40.997 42.059 -0.349 0.000 0.893 200 L HN 0.261 nan 8.230 nan 0.000 0.432 201 S N -0.510 115.094 115.700 -0.160 0.000 2.368 201 S HA -0.142 4.330 4.470 0.002 0.000 0.224 201 S C 2.100 176.621 174.600 -0.132 0.000 1.029 201 S CA 1.169 59.292 58.200 -0.128 0.000 0.988 201 S CB -0.048 63.100 63.200 -0.087 0.000 0.838 201 S HN 0.437 nan 8.310 nan 0.000 0.462 202 A N 1.639 124.366 122.820 -0.155 0.000 1.898 202 A HA 0.051 4.372 4.320 0.002 0.000 0.216 202 A C 2.233 179.699 177.584 -0.196 0.000 1.181 202 A CA 1.389 53.333 52.037 -0.155 0.000 0.620 202 A CB -0.529 18.380 19.000 -0.150 0.000 0.819 202 A HN 0.533 nan 8.150 nan 0.000 0.442 203 M N -0.370 119.043 119.600 -0.311 0.000 2.229 203 M HA -0.080 4.402 4.480 0.002 0.000 0.264 203 M C 2.437 178.667 176.300 -0.117 0.000 1.063 203 M CA 1.369 56.508 55.300 -0.269 0.000 1.114 203 M CB -1.316 31.040 32.600 -0.407 0.000 1.387 203 M HN 0.504 nan 8.290 nan 0.000 0.420 204 A N 0.239 122.982 122.820 -0.130 0.000 1.933 204 A HA -0.164 4.157 4.320 0.002 0.000 0.218 204 A C 2.046 179.618 177.584 -0.021 0.000 1.175 204 A CA 1.514 53.499 52.037 -0.086 0.000 0.628 204 A CB -0.559 18.368 19.000 -0.123 0.000 0.814 204 A HN 0.572 nan 8.150 nan 0.000 0.444 205 E N -0.321 119.849 120.200 -0.050 0.000 2.106 205 E HA -0.103 4.248 4.350 0.002 0.000 0.192 205 E C 1.857 178.437 176.600 -0.033 0.000 0.984 205 E CA 1.065 57.441 56.400 -0.040 0.000 0.806 205 E CB -0.261 29.406 29.700 -0.055 0.000 0.750 205 E HN 0.701 nan 8.360 nan 0.000 0.458 206 I N 0.377 120.922 120.570 -0.042 0.000 2.252 206 I HA -0.268 3.903 4.170 0.002 0.000 0.245 206 I C 2.394 178.492 176.117 -0.031 0.000 1.102 206 I CA 0.988 62.255 61.300 -0.054 0.000 1.385 206 I CB -0.253 37.708 38.000 -0.066 0.000 1.064 206 I HN 0.111 nan 8.210 nan 0.000 0.414 207 Y N 2.237 122.475 120.300 -0.104 0.000 2.207 207 Y HA -0.253 4.298 4.550 0.002 0.000 0.287 207 Y C 2.401 178.246 175.900 -0.091 0.000 1.156 207 Y CA 1.650 59.697 58.100 -0.089 0.000 1.182 207 Y CB -0.146 38.266 38.460 -0.079 0.000 0.979 207 Y HN 0.010 nan 8.280 nan 0.000 0.521 208 K N -0.985 119.482 120.400 0.112 0.000 2.280 208 K HA -0.085 4.236 4.320 0.002 0.000 0.202 208 K C 1.929 178.479 176.600 -0.083 0.000 1.047 208 K CA 1.017 57.324 56.287 0.032 0.000 0.942 208 K CB -0.405 32.105 32.500 0.016 0.000 0.739 208 K HN 0.427 nan 8.250 nan 0.000 0.457 209 G N 0.809 109.533 108.800 -0.128 0.000 3.042 209 G HA2 0.095 4.056 3.960 0.002 0.000 0.212 209 G HA3 0.095 4.056 3.960 0.002 0.000 0.212 209 G C 0.299 175.022 174.900 -0.295 0.000 1.166 209 G CA -0.318 44.668 45.100 -0.189 0.000 0.767 209 G HN 0.019 nan 8.290 nan 0.000 0.546 210 L N 1.529 122.558 121.223 -0.324 0.000 2.331 210 L HA 0.280 4.622 4.340 0.002 0.000 0.278 210 L C -1.965 174.679 176.870 -0.377 0.000 1.106 210 L CA -1.772 52.824 54.840 -0.406 0.000 0.824 210 L CB 1.323 43.127 42.059 -0.425 0.000 1.142 210 L HN -0.079 nan 8.230 nan 0.000 0.443 211 P HA -0.024 nan 4.420 nan 0.000 0.271 211 P C 0.124 177.348 177.300 -0.126 0.000 1.233 211 P CA -0.217 62.688 63.100 -0.326 0.000 0.789 211 P CB 0.636 32.047 31.700 -0.482 0.000 0.951 212 D N 0.563 120.924 120.400 -0.065 0.000 2.218 212 D HA -0.182 4.459 4.640 0.002 0.000 0.204 212 D C 0.668 176.987 176.300 0.032 0.000 0.976 212 D CA 1.263 55.250 54.000 -0.022 0.000 0.853 212 D CB -0.149 40.644 40.800 -0.011 0.000 0.939 212 D HN 0.369 nan 8.370 nan 0.000 0.481 213 D N -1.624 118.837 120.400 0.101 0.000 2.427 213 D HA 0.029 4.670 4.640 0.002 0.000 0.224 213 D C -0.454 175.950 176.300 0.174 0.000 1.157 213 D CA -0.459 53.612 54.000 0.118 0.000 0.828 213 D CB -0.813 40.050 40.800 0.104 0.000 0.974 213 D HN 0.205 nan 8.370 nan 0.000 0.498 214 W N 0.922 122.140 121.300 -0.137 0.000 2.576 214 W HA 0.497 5.158 4.660 0.002 0.000 0.360 214 W C 0.437 176.809 176.519 -0.246 0.000 1.109 214 W CA -0.705 56.529 57.345 -0.184 0.000 1.237 214 W CB 1.327 30.666 29.460 -0.202 0.000 1.369 214 W HN -0.424 nan 8.180 nan 0.000 0.609 215 K N 1.963 122.256 120.400 -0.178 0.000 2.328 215 K HA 0.582 4.903 4.320 0.002 0.000 0.246 215 K C -1.657 174.631 176.600 -0.520 0.000 0.955 215 K CA -1.274 54.770 56.287 -0.405 0.000 0.817 215 K CB 2.194 34.274 32.500 -0.700 0.000 1.208 215 K HN 0.375 nan 8.250 nan 0.000 0.432 216 L N 2.976 123.953 121.223 -0.409 0.000 2.316 216 L HA 0.472 4.813 4.340 0.002 0.000 0.280 216 L C -1.606 175.175 176.870 -0.148 0.000 1.006 216 L CA -0.328 54.369 54.840 -0.238 0.000 0.836 216 L CB 0.388 42.421 42.059 -0.043 0.000 1.221 216 L HN 0.307 nan 8.230 nan 0.000 0.418 217 F N 2.954 122.933 119.950 0.048 0.000 2.411 217 F HA 0.576 5.105 4.527 0.002 0.000 0.352 217 F C 0.618 176.455 175.800 0.062 0.000 1.123 217 F CA -0.845 57.173 58.000 0.029 0.000 1.044 217 F CB 1.540 40.523 39.000 -0.030 0.000 1.135 217 F HN 0.532 nan 8.300 nan 0.000 0.461 218 S N 1.606 117.479 115.700 0.289 0.000 2.489 218 S HA 0.511 4.982 4.470 0.002 0.000 0.291 218 S C -0.605 174.116 174.600 0.201 0.000 1.151 218 S CA -0.895 57.460 58.200 0.258 0.000 1.082 218 S CB 1.906 65.285 63.200 0.297 0.000 1.019 218 S HN 0.690 nan 8.310 nan 0.000 0.492 219 E N 2.868 123.188 120.200 0.199 0.000 2.129 219 E HA 0.190 4.541 4.350 0.002 0.000 0.268 219 E C -0.194 176.530 176.600 0.208 0.000 0.900 219 E CA -0.767 55.701 56.400 0.114 0.000 0.755 219 E CB 0.545 30.302 29.700 0.095 0.000 1.117 219 E HN 0.915 nan 8.360 nan 0.000 0.410 220 H N 3.234 122.401 119.070 0.161 0.000 2.547 220 H HA 0.484 5.041 4.556 0.002 0.000 0.362 220 H C -0.808 174.619 175.328 0.164 0.000 1.181 220 H CA -0.643 55.476 56.048 0.118 0.000 1.376 220 H CB 1.321 31.116 29.762 0.056 0.000 1.488 220 H HN 0.377 nan 8.280 nan 0.000 0.583 221 K N 2.712 123.209 120.400 0.161 0.000 2.571 221 K HA 0.099 4.421 4.320 0.002 0.000 0.252 221 K C 0.660 177.231 176.600 -0.048 0.000 0.956 221 K CA -0.591 55.658 56.287 -0.065 0.000 0.822 221 K CB 2.528 34.903 32.500 -0.208 0.000 1.286 221 K HN 0.714 nan 8.250 nan 0.000 0.439 222 M N 3.389 122.961 119.600 -0.046 0.000 2.108 222 M HA -0.114 4.367 4.480 0.002 0.000 0.261 222 M C -0.417 175.964 176.300 0.136 0.000 1.066 222 M CA 1.720 57.059 55.300 0.066 0.000 1.107 222 M CB 0.110 32.830 32.600 0.200 0.000 1.356 222 M HN 0.620 nan 8.290 nan 0.000 0.406 223 Y N -2.514 117.748 120.300 -0.062 0.000 2.750 223 Y HA 0.507 5.059 4.550 0.003 0.000 0.335 223 Y C -1.131 174.730 175.900 -0.066 0.000 1.252 223 Y CA -1.685 56.381 58.100 -0.057 0.000 1.064 223 Y CB 0.279 38.768 38.460 0.047 0.000 1.321 223 Y HN 0.321 nan 8.280 nan 0.000 0.451 224 E N 1.644 121.773 120.200 -0.118 0.000 7.504 224 E HA -0.112 4.240 4.350 0.002 0.000 0.337 224 E C -2.390 174.125 176.600 -0.142 0.000 0.701 224 E CA 0.462 56.724 56.400 -0.230 0.000 1.302 224 E CB 0.167 29.822 29.700 -0.075 0.000 0.927 224 E HN 0.659 nan 8.360 nan 0.000 0.263 225 P HA -0.012 nan 4.420 nan 0.000 0.233 225 P C 0.242 177.005 177.300 -0.895 0.000 1.167 225 P CA 1.107 63.937 63.100 -0.451 0.000 0.770 225 P CB 0.217 31.816 31.700 -0.169 0.000 0.837 226 A N -0.160 122.315 122.820 -0.574 0.000 2.362 226 A HA 0.392 4.713 4.320 0.002 0.000 0.276 226 A C -0.041 177.256 177.584 -0.478 0.000 1.153 226 A CA -0.350 51.417 52.037 -0.449 0.000 0.813 226 A CB -0.356 18.532 19.000 -0.187 0.000 1.081 226 A HN -0.037 nan 8.150 nan 0.000 0.507 227 F N 1.208 121.187 119.950 0.047 0.000 2.653 227 F HA 0.198 4.727 4.527 0.003 0.000 0.304 227 F C 0.928 176.750 175.800 0.037 0.000 1.092 227 F CA 0.081 58.103 58.000 0.037 0.000 1.279 227 F CB -0.152 38.843 39.000 -0.008 0.000 1.044 227 F HN 0.808 nan 8.300 nan 0.000 0.564 228 Y N -0.111 120.218 120.300 0.049 0.000 2.817 228 Y HA 0.356 4.907 4.550 0.002 0.000 0.257 228 Y C 0.558 176.486 175.900 0.047 0.000 1.055 228 Y CA 0.307 58.430 58.100 0.039 0.000 1.319 228 Y CB 0.221 38.698 38.460 0.027 0.000 1.481 228 Y HN -0.146 nan 8.280 nan 0.000 0.471 229 S N -0.104 115.451 115.700 -0.242 0.000 2.564 229 S HA 0.747 5.218 4.470 0.002 0.000 0.274 229 S C -1.062 173.450 174.600 -0.147 0.000 1.124 229 S CA -0.404 57.601 58.200 -0.326 0.000 0.869 229 S CB 2.153 65.202 63.200 -0.252 0.000 1.105 229 S HN 0.114 nan 8.310 nan 0.000 0.472 230 T N 2.317 116.752 114.554 -0.198 0.000 2.881 230 T HA 0.413 4.765 4.350 0.002 0.000 0.290 230 T C 1.220 175.790 174.700 -0.216 0.000 1.000 230 T CA -0.619 61.384 62.100 -0.162 0.000 0.978 230 T CB 1.622 70.409 68.868 -0.134 0.000 0.997 230 T HN 0.523 nan 8.240 nan 0.000 0.443 231 V N 2.884 122.681 119.914 -0.194 0.000 2.255 231 V HA -0.081 4.040 4.120 0.002 0.000 0.247 231 V C 1.273 177.124 176.094 -0.405 0.000 1.051 231 V CA 1.472 63.617 62.300 -0.259 0.000 1.018 231 V CB -0.220 31.486 31.823 -0.194 0.000 0.641 231 V HN 0.715 nan 8.190 nan 0.000 0.445 232 V N 3.105 122.805 119.914 -0.356 0.000 2.184 232 V HA 0.134 4.255 4.120 0.002 0.000 0.262 232 V C 1.271 177.280 176.094 -0.143 0.000 1.209 232 V CA -0.020 62.103 62.300 -0.294 0.000 1.070 232 V CB 0.571 32.257 31.823 -0.228 0.000 1.244 232 V HN 0.629 nan 8.190 nan 0.000 0.477 233 Q N 2.058 121.737 119.800 -0.202 0.000 2.269 233 Q HA -0.001 4.340 4.340 0.002 0.000 0.201 233 Q C 0.157 176.127 176.000 -0.049 0.000 0.946 233 Q CA 1.418 57.144 55.803 -0.127 0.000 0.877 233 Q CB 0.482 29.096 28.738 -0.206 0.000 0.963 233 Q HN 0.777 nan 8.270 nan 0.000 0.472 234 D N -2.002 118.324 120.400 -0.123 0.000 2.759 234 D HA 0.036 4.677 4.640 0.002 0.000 0.321 234 D C 0.832 176.856 176.300 -0.460 0.000 1.267 234 D CA -0.500 53.385 54.000 -0.192 0.000 0.933 234 D CB -0.895 39.833 40.800 -0.121 0.000 1.431 234 D HN 0.120 nan 8.370 nan 0.000 0.504 235 W N 0.601 121.441 121.300 -0.767 0.000 2.465 235 W HA 0.108 4.769 4.660 0.002 0.000 0.268 235 W C 1.020 177.418 176.519 -0.202 0.000 1.242 235 W CA 1.132 58.126 57.345 -0.585 0.000 1.248 235 W CB -1.264 27.980 29.460 -0.360 0.000 1.118 235 W HN 0.446 nan 8.180 nan 0.000 0.587 236 G N 1.513 109.709 108.800 -1.007 0.000 2.404 236 G HA2 -0.245 3.716 3.960 0.002 0.000 0.215 236 G HA3 -0.245 3.716 3.960 0.002 0.000 0.215 236 G C 1.509 176.158 174.900 -0.418 0.000 1.174 236 G CA 2.008 46.548 45.100 -0.934 0.000 0.780 236 G HN 0.286 nan 8.290 nan 0.000 0.537 237 T N 0.980 115.312 114.554 -0.369 0.000 2.788 237 T HA -0.130 4.222 4.350 0.002 0.000 0.268 237 T C 2.349 176.989 174.700 -0.100 0.000 1.044 237 T CA 1.246 63.157 62.100 -0.315 0.000 1.139 237 T CB -0.267 68.299 68.868 -0.505 0.000 0.867 237 T HN 0.221 nan 8.240 nan 0.000 0.454 238 N N 0.471 119.135 118.700 -0.060 0.000 2.120 238 N HA -0.115 4.627 4.740 0.002 0.000 0.188 238 N C 1.579 177.167 175.510 0.131 0.000 1.024 238 N CA 1.176 54.289 53.050 0.104 0.000 0.852 238 N CB -0.463 38.154 38.487 0.216 0.000 1.003 238 N HN 0.482 nan 8.380 nan 0.000 0.424 239 Y N 1.240 121.535 120.300 -0.009 0.000 2.181 239 Y HA -0.074 4.477 4.550 0.002 0.000 0.288 239 Y C 2.168 178.076 175.900 0.013 0.000 1.146 239 Y CA 1.406 59.511 58.100 0.009 0.000 1.164 239 Y CB -0.464 37.933 38.460 -0.105 0.000 0.982 239 Y HN 0.045 nan 8.280 nan 0.000 0.515 240 L N -0.438 120.754 121.223 -0.052 0.000 2.042 240 L HA -0.266 4.075 4.340 0.002 0.000 0.210 240 L C 2.419 179.273 176.870 -0.026 0.000 1.076 240 L CA 1.606 56.421 54.840 -0.043 0.000 0.749 240 L CB -0.647 41.503 42.059 0.152 0.000 0.893 240 L HN 0.286 nan 8.230 nan 0.000 0.432 241 I N -0.100 120.535 120.570 0.110 0.000 2.113 241 I HA -0.297 3.874 4.170 0.002 0.000 0.238 241 I C 2.850 178.970 176.117 0.005 0.000 1.070 241 I CA 1.333 62.714 61.300 0.135 0.000 1.332 241 I CB -0.524 37.655 38.000 0.299 0.000 1.044 241 I HN 0.195 nan 8.210 nan 0.000 0.402 242 A N -0.002 122.807 122.820 -0.018 0.000 1.908 242 A HA -0.302 4.019 4.320 0.002 0.000 0.218 242 A C 2.236 179.733 177.584 -0.145 0.000 1.181 242 A CA 2.060 54.076 52.037 -0.035 0.000 0.627 242 A CB -0.674 18.335 19.000 0.014 0.000 0.818 242 A HN 0.428 nan 8.150 nan 0.000 0.445 243 Q N -0.459 119.137 119.800 -0.341 0.000 2.119 243 Q HA -0.094 4.247 4.340 0.002 0.000 0.201 243 Q C 2.022 177.903 176.000 -0.199 0.000 0.972 243 Q CA 2.423 58.027 55.803 -0.332 0.000 0.847 243 Q CB -0.808 27.581 28.738 -0.581 0.000 0.903 243 Q HN 0.590 nan 8.270 nan 0.000 0.433 244 T N 0.533 114.975 114.554 -0.187 0.000 2.812 244 T HA -0.028 4.324 4.350 0.002 0.000 0.264 244 T C 1.675 176.243 174.700 -0.220 0.000 1.042 244 T CA 1.166 63.164 62.100 -0.170 0.000 1.140 244 T CB -0.152 68.621 68.868 -0.157 0.000 0.870 244 T HN 0.208 nan 8.240 nan 0.000 0.445 245 L N 0.111 121.190 121.223 -0.240 0.000 2.056 245 L HA 0.234 4.576 4.340 0.002 0.000 0.207 245 L C 1.490 177.923 176.870 -0.727 0.000 1.078 245 L CA 0.776 55.352 54.840 -0.440 0.000 0.749 245 L CB -0.590 41.308 42.059 -0.269 0.000 0.901 245 L HN 0.505 nan 8.230 nan 0.000 0.433 246 G N -2.136 106.456 108.800 -0.346 0.000 2.369 246 G HA2 -0.032 3.929 3.960 0.002 0.000 0.307 246 G HA3 -0.032 3.929 3.960 0.002 0.000 0.307 246 G C -2.512 172.448 174.900 0.100 0.000 1.327 246 G CA -0.248 44.744 45.100 -0.179 0.000 0.963 246 G HN -0.214 nan 8.290 nan 0.000 0.590 247 P HA -0.094 nan 4.420 nan 0.000 0.219 247 P C 1.148 178.552 177.300 0.174 0.000 1.146 247 P CA 1.282 64.472 63.100 0.149 0.000 0.808 247 P CB 0.097 31.870 31.700 0.121 0.000 0.779 248 K N -0.549 120.004 120.400 0.255 0.000 2.459 248 K HA 0.208 4.529 4.320 0.002 0.000 0.193 248 K C 1.028 177.703 176.600 0.126 0.000 1.030 248 K CA 0.066 56.416 56.287 0.104 0.000 1.026 248 K CB 0.107 32.520 32.500 -0.146 0.000 0.809 248 K HN 0.078 nan 8.250 nan 0.000 0.504 249 A N 1.590 124.579 122.820 0.283 0.000 2.274 249 A HA 0.351 4.672 4.320 0.002 0.000 0.309 249 A C -0.578 177.119 177.584 0.187 0.000 1.226 249 A CA -0.452 51.719 52.037 0.222 0.000 0.853 249 A CB 0.538 19.689 19.000 0.251 0.000 1.146 249 A HN 0.099 nan 8.150 nan 0.000 0.518 250 Q N 0.420 120.368 119.800 0.247 0.000 2.544 250 Q HA 0.473 4.814 4.340 0.002 0.000 0.291 250 Q C -1.358 174.809 176.000 0.279 0.000 1.068 250 Q CA -0.832 55.133 55.803 0.270 0.000 0.785 250 Q CB 2.206 31.132 28.738 0.313 0.000 1.481 250 Q HN 0.764 nan 8.270 nan 0.000 0.430 251 C N 1.444 120.848 119.300 0.174 0.000 2.350 251 C HA 0.589 5.051 4.460 0.002 0.000 0.348 251 C C -0.150 174.792 174.990 -0.080 0.000 1.260 251 C CA -0.647 58.449 59.018 0.130 0.000 1.966 251 C CB -0.391 27.476 27.740 0.211 0.000 2.380 251 C HN 0.633 nan 8.230 nan 0.000 0.535 252 L N 3.645 124.793 121.223 -0.125 0.000 2.307 252 L HA 0.669 5.010 4.340 0.002 0.000 0.284 252 L C -0.705 175.952 176.870 -0.355 0.000 1.023 252 L CA -0.080 54.525 54.840 -0.392 0.000 0.810 252 L CB 1.030 42.821 42.059 -0.447 0.000 1.231 252 L HN 0.545 nan 8.230 nan 0.000 0.423 253 V N 4.405 124.053 119.914 -0.442 0.000 2.328 253 V HA 0.288 4.409 4.120 0.002 0.000 0.278 253 V C -0.379 175.572 176.094 -0.238 0.000 1.021 253 V CA -0.571 61.569 62.300 -0.266 0.000 0.838 253 V CB 1.184 32.901 31.823 -0.177 0.000 0.999 253 V HN 0.663 nan 8.190 nan 0.000 0.447 254 D N 4.357 124.558 120.400 -0.333 0.000 2.329 254 D HA 0.298 4.939 4.640 0.002 0.000 0.232 254 D C 1.116 177.342 176.300 -0.124 0.000 1.088 254 D CA -0.367 53.414 54.000 -0.365 0.000 0.835 254 D CB 1.786 42.005 40.800 -0.968 0.000 1.078 254 D HN 0.374 nan 8.370 nan 0.000 0.495 255 L N 2.964 124.201 121.223 0.024 0.000 2.089 255 L HA -0.143 4.198 4.340 0.002 0.000 0.213 255 L C 2.118 179.129 176.870 0.235 0.000 1.079 255 L CA 1.605 56.542 54.840 0.161 0.000 0.758 255 L CB -0.326 41.810 42.059 0.127 0.000 0.891 255 L HN 0.486 nan 8.230 nan 0.000 0.433 256 G N -2.457 106.417 108.800 0.123 0.000 3.181 256 G HA2 -0.057 3.904 3.960 0.002 0.000 0.219 256 G HA3 -0.057 3.904 3.960 0.002 0.000 0.219 256 G C 0.806 175.859 174.900 0.256 0.000 1.182 256 G CA -0.233 44.981 45.100 0.189 0.000 0.791 256 G HN 0.537 nan 8.290 nan 0.000 0.537 257 H N -0.455 118.573 119.070 -0.069 0.000 2.507 257 H HA 0.198 4.756 4.556 0.002 0.000 0.294 257 H C -0.132 174.972 175.328 -0.373 0.000 1.064 257 H CA -0.464 55.421 56.048 -0.273 0.000 1.138 257 H CB 0.446 29.972 29.762 -0.393 0.000 1.515 257 H HN 0.401 nan 8.280 nan 0.000 0.547 258 H N -0.333 118.867 119.070 0.218 0.000 2.670 258 H HA 0.486 5.044 4.556 0.002 0.000 0.361 258 H C -0.088 175.350 175.328 0.182 0.000 1.169 258 H CA -0.606 55.564 56.048 0.203 0.000 1.198 258 H CB 1.102 30.969 29.762 0.174 0.000 1.700 258 H HN 0.250 nan 8.280 nan 0.000 0.542 259 A N 2.037 125.026 122.820 0.281 0.000 2.448 259 A HA 0.242 4.564 4.320 0.002 0.000 0.239 259 A C -2.154 175.539 177.584 0.182 0.000 1.080 259 A CA -1.034 51.129 52.037 0.210 0.000 0.779 259 A CB -0.592 18.500 19.000 0.152 0.000 1.026 259 A HN 0.535 nan 8.150 nan 0.000 0.499 260 P HA 0.058 nan 4.420 nan 0.000 0.264 260 P C 0.003 177.356 177.300 0.088 0.000 1.183 260 P CA 0.601 63.770 63.100 0.115 0.000 0.763 260 P CB 0.215 31.974 31.700 0.098 0.000 0.807 261 N N -1.272 117.470 118.700 0.070 0.000 2.863 261 N HA -0.138 4.603 4.740 0.002 0.000 0.245 261 N C -0.367 175.168 175.510 0.041 0.000 1.001 261 N CA 1.172 54.250 53.050 0.047 0.000 0.901 261 N CB -2.335 36.176 38.487 0.041 0.000 1.124 261 N HN 0.386 nan 8.380 nan 0.000 0.582 262 T N 1.654 116.244 114.554 0.061 0.000 2.946 262 T HA -0.030 4.321 4.350 0.002 0.000 0.311 262 T C 0.808 175.494 174.700 -0.024 0.000 1.063 262 T CA -0.044 62.081 62.100 0.042 0.000 1.139 262 T CB 0.582 69.506 68.868 0.092 0.000 0.994 262 T HN 0.153 nan 8.240 nan 0.000 0.547 263 N N 2.961 121.632 118.700 -0.049 0.000 2.521 263 N HA 0.128 4.870 4.740 0.002 0.000 0.236 263 N C 0.976 176.385 175.510 -0.168 0.000 1.067 263 N CA -0.170 52.826 53.050 -0.090 0.000 0.939 263 N CB 0.037 38.480 38.487 -0.074 0.000 1.201 263 N HN 0.554 nan 8.380 nan 0.000 0.511 264 I N 1.914 122.361 120.570 -0.205 0.000 2.353 264 I HA -0.220 3.952 4.170 0.002 0.000 0.248 264 I C 2.209 178.186 176.117 -0.233 0.000 1.119 264 I CA 0.716 61.829 61.300 -0.312 0.000 1.417 264 I CB 0.002 37.805 38.000 -0.329 0.000 1.078 264 I HN 0.535 nan 8.210 nan 0.000 0.421 265 E N 1.484 121.581 120.200 -0.173 0.000 2.204 265 E HA -0.302 4.049 4.350 0.002 0.000 0.195 265 E C 2.083 178.585 176.600 -0.163 0.000 0.990 265 E CA 1.386 57.697 56.400 -0.148 0.000 0.821 265 E CB -0.662 28.945 29.700 -0.155 0.000 0.750 265 E HN 0.573 nan 8.360 nan 0.000 0.477 266 M N 0.779 120.265 119.600 -0.191 0.000 2.200 266 M HA -0.047 4.434 4.480 0.002 0.000 0.265 266 M C 2.259 178.353 176.300 -0.344 0.000 1.066 266 M CA 1.206 56.381 55.300 -0.208 0.000 1.127 266 M CB -0.040 32.457 32.600 -0.172 0.000 1.379 266 M HN 0.009 nan 8.290 nan 0.000 0.420 267 I N -0.302 119.980 120.570 -0.479 0.000 2.208 267 I HA -0.276 3.895 4.170 0.002 0.000 0.245 267 I C 2.212 178.031 176.117 -0.497 0.000 1.097 267 I CA 1.054 61.861 61.300 -0.822 0.000 1.363 267 I CB -0.483 37.039 38.000 -0.796 0.000 1.051 267 I HN 0.159 nan 8.210 nan 0.000 0.413 268 V N 1.099 120.867 119.914 -0.243 0.000 2.287 268 V HA -0.327 3.794 4.120 0.002 0.000 0.248 268 V C 2.741 178.801 176.094 -0.056 0.000 1.053 268 V CA 2.103 64.362 62.300 -0.068 0.000 1.027 268 V CB -1.059 30.826 31.823 0.104 0.000 0.646 268 V HN 0.513 nan 8.190 nan 0.000 0.447 269 A N -0.184 122.579 122.820 -0.095 0.000 1.902 269 A HA -0.205 4.117 4.320 0.002 0.000 0.217 269 A C 2.368 179.924 177.584 -0.046 0.000 1.181 269 A CA 1.563 53.562 52.037 -0.064 0.000 0.623 269 A CB -0.466 18.484 19.000 -0.082 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.443 270 R N -0.390 120.035 120.500 -0.124 0.000 2.073 270 R HA -0.061 4.280 4.340 0.002 0.000 0.234 270 R C 2.117 178.500 176.300 0.139 0.000 1.134 270 R CA 1.351 57.438 56.100 -0.022 0.000 0.952 270 R CB -1.022 29.102 30.300 -0.294 0.000 0.850 270 R HN 0.590 nan 8.270 nan 0.000 0.433 271 L N 0.362 121.603 121.223 0.030 0.000 2.083 271 L HA -0.147 4.194 4.340 0.002 0.000 0.209 271 L C 2.483 179.478 176.870 0.208 0.000 1.083 271 L CA 1.092 56.040 54.840 0.180 0.000 0.752 271 L CB -0.402 41.717 42.059 0.100 0.000 0.899 271 L HN 0.119 nan 8.230 nan 0.000 0.433 272 I N -0.558 120.101 120.570 0.149 0.000 2.179 272 I HA -0.327 3.844 4.170 0.002 0.000 0.242 272 I C 2.714 178.892 176.117 0.102 0.000 1.088 272 I CA 1.292 62.698 61.300 0.177 0.000 1.357 272 I CB -0.332 37.745 38.000 0.129 0.000 1.051 272 I HN 0.382 nan 8.210 nan 0.000 0.409 273 Q N 0.898 120.727 119.800 0.048 0.000 2.152 273 Q HA -0.217 4.124 4.340 0.002 0.000 0.206 273 Q C 1.475 177.322 176.000 -0.254 0.000 0.985 273 Q CA 1.923 57.658 55.803 -0.112 0.000 0.863 273 Q CB -0.006 28.655 28.738 -0.129 0.000 0.904 273 Q HN 0.473 nan 8.270 nan 0.000 0.422 274 F N -0.797 119.204 119.950 0.084 0.000 2.639 274 F HA 0.322 4.851 4.527 0.002 0.000 0.300 274 F C 1.187 177.105 175.800 0.197 0.000 1.109 274 F CA 0.352 58.436 58.000 0.140 0.000 1.335 274 F CB 0.832 39.911 39.000 0.131 0.000 1.014 274 F HN 0.193 nan 8.300 nan 0.000 0.537 275 G N 0.854 109.804 108.800 0.250 0.000 2.249 275 G HA2 -0.317 3.644 3.960 0.002 0.000 0.273 275 G HA3 -0.317 3.644 3.960 0.002 0.000 0.273 275 G C 0.955 176.001 174.900 0.242 0.000 1.036 275 G CA 0.203 45.437 45.100 0.224 0.000 0.824 275 G HN 0.231 nan 8.290 nan 0.000 0.504 276 K N -0.877 119.693 120.400 0.284 0.000 2.564 276 K HA 0.276 4.597 4.320 0.002 0.000 0.205 276 K C 0.505 177.203 176.600 0.163 0.000 1.053 276 K CA -0.558 55.880 56.287 0.253 0.000 1.072 276 K CB 0.641 33.359 32.500 0.363 0.000 0.822 276 K HN 0.402 nan 8.250 nan 0.000 0.497 277 L N 1.156 122.435 121.223 0.094 0.000 2.334 277 L HA 0.286 4.627 4.340 0.002 0.000 0.286 277 L C 1.150 177.905 176.870 -0.192 0.000 1.108 277 L CA 0.232 55.027 54.840 -0.075 0.000 0.875 277 L CB 0.665 42.691 42.059 -0.056 0.000 1.246 277 L HN 0.224 nan 8.230 nan 0.000 0.439 278 G N 2.982 111.641 108.800 -0.235 0.000 2.394 278 G HA2 0.394 4.355 3.960 0.002 0.000 0.215 278 G HA3 0.394 4.355 3.960 0.002 0.000 0.215 278 G C 0.573 174.981 174.900 -0.821 0.000 1.165 278 G CA 0.684 45.571 45.100 -0.356 0.000 0.784 278 G HN 0.987 nan 8.290 nan 0.000 0.535 279 G N -1.970 106.291 108.800 -0.899 0.000 2.325 279 G HA2 0.460 4.421 3.960 0.002 0.000 0.295 279 G HA3 0.460 4.421 3.960 0.002 0.000 0.295 279 G C -1.870 172.474 174.900 -0.926 0.000 1.274 279 G CA -1.020 43.573 45.100 -0.845 0.000 0.857 279 G HN 0.074 nan 8.290 nan 0.000 0.499 280 F N -0.537 119.156 119.950 -0.428 0.000 2.593 280 F HA 0.636 5.164 4.527 0.002 0.000 0.320 280 F C 0.097 175.702 175.800 -0.325 0.000 1.060 280 F CA -0.587 57.107 58.000 -0.511 0.000 0.940 280 F CB 2.610 41.037 39.000 -0.955 0.000 1.268 280 F HN 0.385 nan 8.300 nan 0.000 0.475 281 H N 1.851 120.748 119.070 -0.289 0.000 2.887 281 H HA 0.333 4.890 4.556 0.002 0.000 0.300 281 H C -1.186 174.021 175.328 -0.201 0.000 1.038 281 H CA -0.660 55.279 56.048 -0.182 0.000 1.352 281 H CB 0.951 30.600 29.762 -0.188 0.000 1.473 281 H HN 0.385 nan 8.280 nan 0.000 0.503 282 F N 3.279 123.324 119.950 0.158 0.000 2.399 282 F HA 0.149 4.677 4.527 0.002 0.000 0.342 282 F C 0.566 176.395 175.800 0.048 0.000 1.106 282 F CA -0.070 57.988 58.000 0.096 0.000 1.196 282 F CB 0.960 40.020 39.000 0.099 0.000 1.163 282 F HN 0.709 nan 8.300 nan 0.000 0.547 283 N N -0.496 118.364 118.700 0.267 0.000 3.717 283 N HA 0.272 5.013 4.740 0.002 0.000 0.239 283 N C -2.292 173.312 175.510 0.156 0.000 1.388 283 N CA -1.002 52.145 53.050 0.163 0.000 0.828 283 N CB 0.863 39.408 38.487 0.097 0.000 1.468 283 N HN 0.324 nan 8.380 nan 0.000 0.445 284 D N -1.516 118.960 120.400 0.127 0.000 2.493 284 D HA 0.822 5.464 4.640 0.002 0.000 0.239 284 D C -1.222 175.143 176.300 0.109 0.000 1.049 284 D CA -0.066 54.004 54.000 0.115 0.000 1.008 284 D CB 2.084 42.946 40.800 0.103 0.000 1.398 284 D HN 0.815 nan 8.370 nan 0.000 0.513 285 S N -0.234 115.522 115.700 0.092 0.000 2.595 285 S HA 0.399 4.870 4.470 0.002 0.000 0.270 285 S C -0.073 174.540 174.600 0.021 0.000 1.145 285 S CA -0.788 57.465 58.200 0.089 0.000 0.825 285 S CB 2.410 65.681 63.200 0.119 0.000 1.107 285 S HN 0.474 nan 8.310 nan 0.000 0.461 286 K N -0.888 119.484 120.400 -0.046 0.000 2.504 286 K HA 0.342 4.663 4.320 0.002 0.000 0.203 286 K C 0.151 176.475 176.600 -0.460 0.000 1.350 286 K CA 0.004 56.104 56.287 -0.311 0.000 0.953 286 K CB 0.170 32.348 32.500 -0.537 0.000 1.243 286 K HN 0.669 nan 8.250 nan 0.000 0.534 287 Y N -0.663 119.703 120.300 0.110 0.000 2.583 287 Y HA 0.404 4.956 4.550 0.002 0.000 0.270 287 Y C 1.462 177.461 175.900 0.166 0.000 1.113 287 Y CA 0.303 58.477 58.100 0.123 0.000 1.307 287 Y CB 0.270 38.797 38.460 0.112 0.000 1.369 287 Y HN 0.097 nan 8.280 nan 0.000 0.506 288 G N -0.990 108.016 108.800 0.344 0.000 3.291 288 G HA2 0.175 4.137 3.960 0.002 0.000 0.173 288 G HA3 0.175 4.137 3.960 0.002 0.000 0.173 288 G C -1.270 173.733 174.900 0.171 0.000 1.099 288 G CA -0.286 44.989 45.100 0.291 0.000 0.794 288 G HN -0.034 nan 8.290 nan 0.000 0.651 289 D N 0.670 121.110 120.400 0.067 0.000 2.713 289 D HA 0.220 4.862 4.640 0.002 0.000 0.229 289 D C 0.533 176.901 176.300 0.113 0.000 1.136 289 D CA -0.335 53.707 54.000 0.070 0.000 1.010 289 D CB -0.027 40.738 40.800 -0.059 0.000 1.084 289 D HN 0.144 nan 8.370 nan 0.000 0.495 290 D N 0.962 121.454 120.400 0.152 0.000 2.264 290 D HA -0.136 4.505 4.640 0.002 0.000 0.208 290 D C 0.331 176.726 176.300 0.159 0.000 0.966 290 D CA 0.481 54.580 54.000 0.166 0.000 0.864 290 D CB -0.009 40.907 40.800 0.193 0.000 0.933 290 D HN 0.418 nan 8.370 nan 0.000 0.499 291 D N -0.093 120.398 120.400 0.152 0.000 2.751 291 D HA -0.177 4.464 4.640 0.002 0.000 0.233 291 D C 0.018 176.379 176.300 0.100 0.000 1.149 291 D CA 0.383 54.469 54.000 0.144 0.000 0.682 291 D CB -1.215 39.746 40.800 0.267 0.000 1.068 291 D HN 0.327 nan 8.370 nan 0.000 0.429 292 L N 0.035 121.325 121.223 0.111 0.000 2.468 292 L HA 0.220 4.561 4.340 0.002 0.000 0.254 292 L C 0.957 177.894 176.870 0.112 0.000 1.171 292 L CA -0.692 54.215 54.840 0.112 0.000 0.809 292 L CB 0.402 42.533 42.059 0.120 0.000 1.155 292 L HN -0.194 nan 8.230 nan 0.000 0.473 293 D N 1.282 121.763 120.400 0.136 0.000 2.531 293 D HA 0.185 4.827 4.640 0.002 0.000 0.239 293 D C 0.184 176.547 176.300 0.105 0.000 1.144 293 D CA 0.260 54.342 54.000 0.135 0.000 0.869 293 D CB 0.611 41.481 40.800 0.117 0.000 1.160 293 D HN 0.588 nan 8.370 nan 0.000 0.484 294 A N 2.223 125.105 122.820 0.103 0.000 2.567 294 A HA 0.417 4.739 4.320 0.002 0.000 0.240 294 A C 1.696 179.322 177.584 0.071 0.000 1.053 294 A CA 0.476 52.573 52.037 0.100 0.000 0.755 294 A CB -0.334 18.717 19.000 0.085 0.000 0.978 294 A HN 0.997 nan 8.150 nan 0.000 0.507 295 G N 1.025 109.878 108.800 0.087 0.000 2.189 295 G HA2 -0.098 3.863 3.960 0.002 0.000 0.267 295 G HA3 -0.098 3.863 3.960 0.002 0.000 0.267 295 G C 1.174 176.118 174.900 0.075 0.000 0.975 295 G CA 1.221 46.371 45.100 0.082 0.000 0.644 295 G HN 2.070 nan 8.290 nan 0.000 0.537 296 A N -0.494 122.368 122.820 0.070 0.000 2.066 296 A HA 0.412 4.734 4.320 0.002 0.000 0.218 296 A C 2.200 179.822 177.584 0.063 0.000 1.157 296 A CA 1.882 53.956 52.037 0.063 0.000 0.670 296 A CB -0.160 18.881 19.000 0.068 0.000 0.804 296 A HN 0.527 nan 8.150 nan 0.000 0.453 297 I N -1.549 119.062 120.570 0.067 0.000 3.194 297 I HA 0.145 4.317 4.170 0.002 0.000 0.271 297 I C 0.355 176.506 176.117 0.056 0.000 1.150 297 I CA 0.738 62.070 61.300 0.053 0.000 1.440 297 I CB -0.749 37.276 38.000 0.042 0.000 1.276 297 I HN 0.222 nan 8.210 nan 0.000 0.457 298 E N 2.337 122.580 120.200 0.072 0.000 3.108 298 E HA 0.191 4.542 4.350 0.002 0.000 0.228 298 E C -1.788 174.884 176.600 0.120 0.000 1.176 298 E CA -1.417 55.035 56.400 0.086 0.000 0.881 298 E CB 1.791 31.530 29.700 0.065 0.000 1.354 298 E HN 0.120 nan 8.360 nan 0.000 0.400 299 P HA -0.208 nan 4.420 nan 0.000 0.218 299 P C 1.193 178.660 177.300 0.279 0.000 1.149 299 P CA 0.959 64.194 63.100 0.224 0.000 0.817 299 P CB 0.249 32.100 31.700 0.252 0.000 0.785 300 Y N 1.849 122.135 120.300 -0.023 0.000 2.242 300 Y HA -0.093 4.458 4.550 0.002 0.000 0.291 300 Y C 2.872 178.732 175.900 -0.067 0.000 1.137 300 Y CA 1.113 59.012 58.100 -0.336 0.000 1.181 300 Y CB -0.848 37.332 38.460 -0.467 0.000 0.989 300 Y HN -0.212 nan 8.280 nan 0.000 0.527 301 R N -0.329 120.166 120.500 -0.009 0.000 2.091 301 R HA -0.186 4.155 4.340 0.002 0.000 0.238 301 R C 2.149 178.433 176.300 -0.027 0.000 1.136 301 R CA 1.690 57.749 56.100 -0.068 0.000 0.959 301 R CB -0.637 29.661 30.300 -0.004 0.000 0.856 301 R HN 0.410 nan 8.270 nan 0.000 0.437 302 L N 0.444 121.713 121.223 0.077 0.000 2.046 302 L HA -0.107 4.234 4.340 0.002 0.000 0.208 302 L C 1.994 178.978 176.870 0.190 0.000 1.077 302 L CA 1.653 56.579 54.840 0.143 0.000 0.747 302 L CB -0.724 41.438 42.059 0.171 0.000 0.896 302 L HN 0.270 nan 8.230 nan 0.000 0.432 303 F N -0.490 119.476 119.950 0.027 0.000 2.134 303 F HA -0.188 4.340 4.527 0.002 0.000 0.299 303 F C 1.979 177.735 175.800 -0.074 0.000 1.097 303 F CA 1.649 59.667 58.000 0.031 0.000 1.264 303 F CB -0.299 38.733 39.000 0.055 0.000 1.001 303 F HN 0.042 nan 8.300 nan 0.000 0.479 304 L N -0.540 120.479 121.223 -0.341 0.000 2.141 304 L HA -0.185 4.156 4.340 0.002 0.000 0.209 304 L C 2.367 179.042 176.870 -0.326 0.000 1.094 304 L CA 0.746 55.315 54.840 -0.452 0.000 0.763 304 L CB -0.784 41.034 42.059 -0.402 0.000 0.908 304 L HN 0.070 nan 8.230 nan 0.000 0.437 305 V N -0.731 119.047 119.914 -0.226 0.000 2.307 305 V HA -0.261 3.860 4.120 0.002 0.000 0.245 305 V C 2.190 178.101 176.094 -0.304 0.000 1.045 305 V CA 1.780 63.941 62.300 -0.232 0.000 1.024 305 V CB -0.507 31.175 31.823 -0.235 0.000 0.651 305 V HN 0.226 nan 8.190 nan 0.000 0.449 306 F N 0.870 120.669 119.950 -0.251 0.000 2.365 306 F HA -0.110 4.418 4.527 0.002 0.000 0.300 306 F C 2.247 177.882 175.800 -0.275 0.000 1.090 306 F CA 1.630 59.497 58.000 -0.222 0.000 1.408 306 F CB -0.554 38.308 39.000 -0.229 0.000 1.060 306 F HN 0.249 nan 8.300 nan 0.000 0.534 307 N N 0.277 118.776 118.700 -0.336 0.000 2.166 307 N HA -0.178 4.564 4.740 0.002 0.000 0.186 307 N C 1.735 177.137 175.510 -0.179 0.000 1.019 307 N CA 1.427 54.254 53.050 -0.372 0.000 0.856 307 N CB -0.082 38.070 38.487 -0.559 0.000 0.993 307 N HN 0.060 nan 8.380 nan 0.000 0.426 308 E N 0.300 120.407 120.200 -0.155 0.000 2.106 308 E HA -0.078 4.274 4.350 0.002 0.000 0.192 308 E C 2.106 178.690 176.600 -0.026 0.000 0.984 308 E CA 0.543 56.891 56.400 -0.088 0.000 0.806 308 E CB -0.297 29.360 29.700 -0.072 0.000 0.750 308 E HN 0.477 nan 8.360 nan 0.000 0.458 309 L N 0.277 121.514 121.223 0.023 0.000 2.027 309 L HA -0.141 4.200 4.340 0.002 0.000 0.206 309 L C 2.519 179.486 176.870 0.162 0.000 1.074 309 L CA 0.807 55.752 54.840 0.174 0.000 0.745 309 L CB -0.520 41.658 42.059 0.199 0.000 0.898 309 L HN -0.022 nan 8.230 nan 0.000 0.433 310 V N 0.082 120.080 119.914 0.140 0.000 2.515 310 V HA -0.288 3.833 4.120 0.002 0.000 0.250 310 V C 2.147 178.248 176.094 0.010 0.000 1.058 310 V CA 1.998 64.366 62.300 0.113 0.000 1.064 310 V CB -0.481 31.372 31.823 0.050 0.000 0.675 310 V HN 0.514 nan 8.190 nan 0.000 0.461 311 D N 0.654 121.031 120.400 -0.038 0.000 2.104 311 D HA -0.179 4.463 4.640 0.002 0.000 0.194 311 D C 2.100 178.334 176.300 -0.110 0.000 0.994 311 D CA 1.643 55.601 54.000 -0.069 0.000 0.830 311 D CB -0.124 40.629 40.800 -0.079 0.000 0.959 311 D HN 0.370 nan 8.370 nan 0.000 0.452 312 A N 0.145 122.859 122.820 -0.176 0.000 1.930 312 A HA -0.145 4.176 4.320 0.002 0.000 0.217 312 A C 2.154 179.541 177.584 -0.328 0.000 1.175 312 A CA 1.550 53.370 52.037 -0.363 0.000 0.627 312 A CB -0.737 17.841 19.000 -0.703 0.000 0.815 312 A HN 0.431 nan 8.150 nan 0.000 0.443 313 E N -0.337 119.774 120.200 -0.147 0.000 2.347 313 E HA 0.008 4.359 4.350 0.002 0.000 0.196 313 E C 1.854 178.463 176.600 0.014 0.000 1.008 313 E CA 0.680 57.089 56.400 0.015 0.000 0.852 313 E CB -0.130 29.696 29.700 0.210 0.000 0.783 313 E HN 0.577 nan 8.360 nan 0.000 0.505 314 A N 1.841 124.647 122.820 -0.023 0.000 1.850 314 A HA -0.067 4.254 4.320 0.002 0.000 0.212 314 A C 1.875 179.438 177.584 -0.034 0.000 1.208 314 A CA 0.726 52.752 52.037 -0.018 0.000 0.609 314 A CB -0.218 18.766 19.000 -0.026 0.000 0.860 314 A HN 0.211 nan 8.150 nan 0.000 0.448 315 R N 0.603 121.065 120.500 -0.063 0.000 2.391 315 R HA 0.155 4.497 4.340 0.002 0.000 0.225 315 R C 0.735 176.990 176.300 -0.074 0.000 1.079 315 R CA 0.436 56.497 56.100 -0.064 0.000 1.147 315 R CB -1.476 28.779 30.300 -0.076 0.000 1.103 315 R HN 0.581 nan 8.270 nan 0.000 0.499 316 G N 1.745 110.506 108.800 -0.065 0.000 2.293 316 G HA2 -0.269 3.692 3.960 0.002 0.000 0.271 316 G HA3 -0.269 3.692 3.960 0.002 0.000 0.271 316 G C 0.249 175.102 174.900 -0.078 0.000 0.857 316 G CA 0.309 45.376 45.100 -0.055 0.000 1.221 316 G HN 0.269 nan 8.290 nan 0.000 0.445 317 V N 2.532 122.346 119.914 -0.167 0.000 2.493 317 V HA 0.097 4.219 4.120 0.002 0.000 0.292 317 V C 1.275 177.352 176.094 -0.028 0.000 1.016 317 V CA 0.445 62.667 62.300 -0.131 0.000 1.097 317 V CB 0.329 31.996 31.823 -0.261 0.000 0.947 317 V HN 0.743 nan 8.190 nan 0.000 0.479 318 K N 3.948 124.355 120.400 0.012 0.000 2.154 318 K HA 0.556 4.877 4.320 0.002 0.000 0.264 318 K C 1.109 177.738 176.600 0.049 0.000 1.008 318 K CA 0.075 56.381 56.287 0.032 0.000 0.937 318 K CB 0.727 33.249 32.500 0.037 0.000 1.002 318 K HN 0.901 nan 8.250 nan 0.000 0.469 319 G N 1.495 110.304 108.800 0.016 0.000 2.257 319 G HA2 -0.342 3.619 3.960 0.002 0.000 0.267 319 G HA3 -0.342 3.619 3.960 0.002 0.000 0.267 319 G C -0.124 174.734 174.900 -0.070 0.000 0.984 319 G CA 0.471 45.602 45.100 0.051 0.000 0.626 319 G HN 0.733 nan 8.290 nan 0.000 0.540 320 F N 3.506 123.282 119.950 -0.289 0.000 2.502 320 F HA 0.496 5.024 4.527 0.002 0.000 0.361 320 F C 0.364 175.890 175.800 -0.457 0.000 1.157 320 F CA -0.216 57.639 58.000 -0.242 0.000 1.096 320 F CB 0.113 39.029 39.000 -0.139 0.000 1.141 320 F HN 0.210 nan 8.300 nan 0.000 0.579 321 H N 6.860 125.726 119.070 -0.340 0.000 2.490 321 H HA 0.212 4.769 4.556 0.002 0.000 0.230 321 H C -2.292 172.788 175.328 -0.413 0.000 1.417 321 H CA -1.453 54.421 56.048 -0.290 0.000 1.449 321 H CB 0.203 29.910 29.762 -0.092 0.000 1.649 321 H HN 0.502 nan 8.280 nan 0.000 0.519 322 P HA 0.136 nan 4.420 nan 0.000 0.268 322 P C -0.008 176.968 177.300 -0.540 0.000 1.205 322 P CA -0.315 62.446 63.100 -0.565 0.000 0.771 322 P CB 1.180 32.521 31.700 -0.599 0.000 0.858 323 A N 3.862 126.418 122.820 -0.439 0.000 2.347 323 A HA 0.238 4.559 4.320 0.002 0.000 0.287 323 A C 0.164 177.594 177.584 -0.257 0.000 1.199 323 A CA -0.405 51.455 52.037 -0.294 0.000 0.851 323 A CB -0.411 18.491 19.000 -0.163 0.000 1.118 323 A HN 0.555 nan 8.150 nan 0.000 0.525 324 H N 2.888 122.014 119.070 0.095 0.000 2.562 324 H HA 0.535 5.092 4.556 0.002 0.000 0.314 324 H C -0.238 175.229 175.328 0.231 0.000 1.079 324 H CA 0.195 56.408 56.048 0.275 0.000 1.349 324 H CB 0.997 30.956 29.762 0.330 0.000 1.432 324 H HN 0.670 nan 8.280 nan 0.000 0.479 325 M N 3.120 122.960 119.600 0.400 0.000 2.531 325 M HA 0.405 4.886 4.480 0.002 0.000 0.286 325 M C -0.529 175.932 176.300 0.269 0.000 1.232 325 M CA -0.590 54.865 55.300 0.259 0.000 0.877 325 M CB 2.878 35.598 32.600 0.199 0.000 1.726 325 M HN 0.288 nan 8.290 nan 0.000 0.463 326 I N 1.314 121.949 120.570 0.108 0.000 2.353 326 I HA 0.297 4.468 4.170 0.002 0.000 0.293 326 I C -0.754 175.264 176.117 -0.165 0.000 0.992 326 I CA -0.155 61.182 61.300 0.063 0.000 1.268 326 I CB 1.229 39.243 38.000 0.023 0.000 1.387 326 I HN 0.576 nan 8.210 nan 0.000 0.478 327 D N 6.672 126.981 120.400 -0.152 0.000 2.389 327 D HA 0.382 5.023 4.640 0.002 0.000 0.256 327 D C -1.001 175.214 176.300 -0.142 0.000 1.239 327 D CA -0.208 53.668 54.000 -0.206 0.000 0.925 327 D CB 0.819 41.412 40.800 -0.345 0.000 1.145 327 D HN 0.474 nan 8.370 nan 0.000 0.542 328 Q N 1.458 121.087 119.800 -0.285 0.000 2.501 328 Q HA 0.579 4.920 4.340 0.002 0.000 0.288 328 Q C -1.210 174.350 176.000 -0.733 0.000 1.051 328 Q CA -0.906 54.692 55.803 -0.341 0.000 0.788 328 Q CB 2.278 30.883 28.738 -0.222 0.000 1.469 328 Q HN 0.281 nan 8.270 nan 0.000 0.416 329 F N 0.332 120.064 119.950 -0.362 0.000 2.540 329 F HA 0.389 4.918 4.527 0.002 0.000 0.317 329 F C -0.694 174.803 175.800 -0.505 0.000 1.104 329 F CA -0.579 57.228 58.000 -0.322 0.000 0.913 329 F CB 1.675 40.641 39.000 -0.057 0.000 1.170 329 F HN 0.471 nan 8.300 nan 0.000 0.450 330 H N 2.441 121.655 119.070 0.241 0.000 2.718 330 H HA 0.358 4.916 4.556 0.002 0.000 0.295 330 H C 0.141 175.572 175.328 0.172 0.000 1.051 330 H CA -0.541 55.602 56.048 0.159 0.000 1.260 330 H CB 0.531 30.345 29.762 0.088 0.000 1.403 330 H HN 0.412 nan 8.280 nan 0.000 0.488 331 N N 1.861 120.697 118.700 0.227 0.000 2.405 331 N HA -0.044 4.698 4.740 0.002 0.000 0.175 331 N C 0.957 176.582 175.510 0.192 0.000 1.051 331 N CA 0.657 53.834 53.050 0.211 0.000 0.899 331 N CB 0.971 39.576 38.487 0.196 0.000 1.000 331 N HN 0.486 nan 8.380 nan 0.000 0.451 332 V N -2.456 117.554 119.914 0.160 0.000 3.111 332 V HA 0.426 4.548 4.120 0.002 0.000 0.343 332 V C 0.059 176.211 176.094 0.096 0.000 1.417 332 V CA -0.291 62.074 62.300 0.107 0.000 1.142 332 V CB -0.158 31.706 31.823 0.069 0.000 1.114 332 V HN 0.137 nan 8.190 nan 0.000 0.520 333 T N -3.723 110.903 114.554 0.121 0.000 2.812 333 T HA 0.476 4.827 4.350 0.002 0.000 0.294 333 T C -1.195 173.554 174.700 0.081 0.000 1.159 333 T CA -0.321 61.830 62.100 0.086 0.000 1.008 333 T CB 2.122 71.031 68.868 0.069 0.000 1.289 333 T HN 0.158 nan 8.240 nan 0.000 0.514 334 D N 1.300 121.729 120.400 0.049 0.000 2.358 334 D HA 0.238 4.879 4.640 0.002 0.000 0.258 334 D C -1.526 174.734 176.300 -0.066 0.000 1.223 334 D CA -1.925 52.103 54.000 0.045 0.000 0.886 334 D CB 1.363 42.219 40.800 0.092 0.000 1.120 334 D HN 0.107 nan 8.370 nan 0.000 0.482 335 P HA -0.151 nan 4.420 nan 0.000 0.216 335 P C 1.623 178.698 177.300 -0.375 0.000 1.154 335 P CA 1.076 64.039 63.100 -0.229 0.000 0.865 335 P CB 0.252 31.958 31.700 0.011 0.000 0.789 336 I N -0.627 119.789 120.570 -0.258 0.000 2.252 336 I HA -0.227 3.945 4.170 0.002 0.000 0.245 336 I C 2.261 178.086 176.117 -0.487 0.000 1.102 336 I CA 1.520 62.596 61.300 -0.373 0.000 1.385 336 I CB -0.664 37.084 38.000 -0.420 0.000 1.064 336 I HN 0.020 nan 8.210 nan 0.000 0.414 337 E N 0.444 120.357 120.200 -0.479 0.000 2.077 337 E HA -0.169 4.183 4.350 0.002 0.000 0.193 337 E C 2.355 178.795 176.600 -0.266 0.000 0.989 337 E CA 1.435 57.611 56.400 -0.372 0.000 0.800 337 E CB -0.096 29.481 29.700 -0.205 0.000 0.746 337 E HN 0.334 nan 8.360 nan 0.000 0.452 338 S N 0.948 116.469 115.700 -0.298 0.000 2.368 338 S HA -0.088 4.383 4.470 0.002 0.000 0.225 338 S C 2.016 176.458 174.600 -0.264 0.000 1.030 338 S CA 0.732 58.771 58.200 -0.268 0.000 0.999 338 S CB -0.126 62.861 63.200 -0.354 0.000 0.844 338 S HN 0.175 nan 8.310 nan 0.000 0.459 339 L N 0.817 121.812 121.223 -0.379 0.000 2.093 339 L HA -0.080 4.261 4.340 0.002 0.000 0.208 339 L C 2.131 178.903 176.870 -0.163 0.000 1.085 339 L CA 0.944 55.650 54.840 -0.224 0.000 0.755 339 L CB -0.498 41.421 42.059 -0.234 0.000 0.904 339 L HN 0.316 nan 8.230 nan 0.000 0.435 340 I N 0.005 120.454 120.570 -0.201 0.000 2.142 340 I HA -0.307 3.865 4.170 0.002 0.000 0.240 340 I C 2.082 178.135 176.117 -0.107 0.000 1.078 340 I CA 1.340 62.545 61.300 -0.158 0.000 1.343 340 I CB -0.335 37.546 38.000 -0.198 0.000 1.046 340 I HN 0.329 nan 8.210 nan 0.000 0.405 341 N N 0.341 118.980 118.700 -0.103 0.000 2.381 341 N HA -0.096 4.645 4.740 0.002 0.000 0.182 341 N C 1.934 177.414 175.510 -0.051 0.000 1.025 341 N CA 0.971 53.981 53.050 -0.066 0.000 0.888 341 N CB -0.164 38.291 38.487 -0.053 0.000 0.965 341 N HN 0.197 nan 8.380 nan 0.000 0.438 342 S N 0.404 116.076 115.700 -0.046 0.000 2.371 342 S HA 0.031 4.502 4.470 0.002 0.000 0.224 342 S C 2.051 176.626 174.600 -0.043 0.000 1.029 342 S CA 0.897 59.086 58.200 -0.019 0.000 0.978 342 S CB -0.201 63.013 63.200 0.022 0.000 0.833 342 S HN 0.474 nan 8.310 nan 0.000 0.466 343 A N 2.250 125.041 122.820 -0.047 0.000 1.933 343 A HA -0.137 4.184 4.320 0.002 0.000 0.218 343 A C 1.836 179.383 177.584 -0.062 0.000 1.175 343 A CA 1.542 53.555 52.037 -0.041 0.000 0.628 343 A CB -0.818 18.166 19.000 -0.026 0.000 0.814 343 A HN 0.612 nan 8.150 nan 0.000 0.444 344 N N -0.866 117.796 118.700 -0.064 0.000 2.120 344 N HA -0.184 4.557 4.740 0.002 0.000 0.188 344 N C 1.803 177.250 175.510 -0.105 0.000 1.024 344 N CA 1.241 54.248 53.050 -0.071 0.000 0.852 344 N CB -0.130 38.322 38.487 -0.058 0.000 1.003 344 N HN 0.452 nan 8.380 nan 0.000 0.424 345 E N 1.289 121.431 120.200 -0.096 0.000 2.110 345 E HA -0.056 4.296 4.350 0.002 0.000 0.193 345 E C 1.736 178.220 176.600 -0.192 0.000 0.988 345 E CA 0.814 57.151 56.400 -0.104 0.000 0.804 345 E CB -0.076 29.593 29.700 -0.053 0.000 0.745 345 E HN 0.358 nan 8.360 nan 0.000 0.458 346 I N -0.185 120.237 120.570 -0.247 0.000 2.252 346 I HA -0.223 3.948 4.170 0.002 0.000 0.245 346 I C 2.433 178.137 176.117 -0.687 0.000 1.102 346 I CA 0.949 61.977 61.300 -0.454 0.000 1.385 346 I CB -0.190 37.575 38.000 -0.392 0.000 1.064 346 I HN 0.020 nan 8.210 nan 0.000 0.414 347 R N 0.192 120.435 120.500 -0.428 0.000 2.115 347 R HA -0.123 4.219 4.340 0.002 0.000 0.230 347 R C 2.414 178.496 176.300 -0.363 0.000 1.111 347 R CA 0.848 56.697 56.100 -0.419 0.000 0.976 347 R CB -0.242 29.964 30.300 -0.157 0.000 0.870 347 R HN 0.318 nan 8.270 nan 0.000 0.445 348 R N 0.560 120.889 120.500 -0.284 0.000 2.073 348 R HA -0.105 4.237 4.340 0.002 0.000 0.234 348 R C 2.101 178.267 176.300 -0.223 0.000 1.134 348 R CA 1.565 57.542 56.100 -0.205 0.000 0.952 348 R CB -0.196 30.021 30.300 -0.139 0.000 0.850 348 R HN 0.179 nan 8.270 nan 0.000 0.433 349 A N 0.036 122.676 122.820 -0.301 0.000 1.902 349 A HA -0.216 4.105 4.320 0.002 0.000 0.217 349 A C 1.996 179.321 177.584 -0.433 0.000 1.181 349 A CA 1.299 53.212 52.037 -0.206 0.000 0.623 349 A CB -0.844 18.044 19.000 -0.188 0.000 0.818 349 A HN 0.613 nan 8.150 nan 0.000 0.443 350 Y N 0.773 120.373 120.300 -1.165 0.000 2.145 350 Y HA -0.095 4.457 4.550 0.002 0.000 0.286 350 Y C 2.643 178.268 175.900 -0.458 0.000 1.145 350 Y CA 1.210 58.667 58.100 -1.072 0.000 1.148 350 Y CB -0.773 36.754 38.460 -1.556 0.000 0.981 350 Y HN 0.297 nan 8.280 nan 0.000 0.507 351 A N 0.272 122.807 122.820 -0.475 0.000 1.908 351 A HA -0.273 4.048 4.320 0.002 0.000 0.218 351 A C 2.127 179.570 177.584 -0.234 0.000 1.181 351 A CA 2.091 53.903 52.037 -0.375 0.000 0.627 351 A CB -0.826 18.045 19.000 -0.216 0.000 0.818 351 A HN 0.690 nan 8.150 nan 0.000 0.445 352 Q N -0.775 118.967 119.800 -0.097 0.000 2.119 352 Q HA -0.056 4.286 4.340 0.002 0.000 0.201 352 Q C 2.375 178.525 176.000 0.251 0.000 0.972 352 Q CA 1.272 57.125 55.803 0.084 0.000 0.847 352 Q CB -0.384 28.453 28.738 0.164 0.000 0.903 352 Q HN 0.691 nan 8.270 nan 0.000 0.433 353 A N 0.816 123.724 122.820 0.147 0.000 1.972 353 A HA -0.132 4.190 4.320 0.002 0.000 0.219 353 A C 1.987 179.525 177.584 -0.076 0.000 1.169 353 A CA 0.963 52.998 52.037 -0.004 0.000 0.635 353 A CB -0.541 18.367 19.000 -0.153 0.000 0.810 353 A HN 0.298 nan 8.150 nan 0.000 0.446 354 L N -0.667 120.428 121.223 -0.214 0.000 2.275 354 L HA -0.073 4.269 4.340 0.002 0.000 0.215 354 L C 2.028 178.835 176.870 -0.105 0.000 1.119 354 L CA 0.522 55.229 54.840 -0.222 0.000 0.790 354 L CB -0.325 41.509 42.059 -0.375 0.000 0.919 354 L HN 0.380 nan 8.230 nan 0.000 0.443 355 L N -0.874 120.316 121.223 -0.055 0.000 2.492 355 L HA 0.024 4.365 4.340 0.002 0.000 0.223 355 L C 0.797 177.680 176.870 0.022 0.000 1.132 355 L CA -0.246 54.581 54.840 -0.022 0.000 0.850 355 L CB -0.070 41.975 42.059 -0.023 0.000 0.966 355 L HN -0.045 nan 8.230 nan 0.000 0.454 356 V N 1.332 121.283 119.914 0.061 0.000 2.540 356 V HA -0.123 3.998 4.120 0.002 0.000 0.297 356 V C 0.479 176.599 176.094 0.043 0.000 1.024 356 V CA 0.144 62.495 62.300 0.086 0.000 1.105 356 V CB 0.573 32.458 31.823 0.104 0.000 0.938 356 V HN 0.149 nan 8.190 nan 0.000 0.482 357 D N 5.653 126.084 120.400 0.051 0.000 2.416 357 D HA 0.075 4.716 4.640 0.002 0.000 0.240 357 D C 1.360 177.675 176.300 0.026 0.000 1.250 357 D CA -0.289 53.729 54.000 0.030 0.000 0.967 357 D CB 0.512 41.335 40.800 0.039 0.000 1.059 357 D HN 0.349 nan 8.370 nan 0.000 0.512 358 R N 2.917 123.421 120.500 0.007 0.000 2.105 358 R HA -0.130 4.211 4.340 0.002 0.000 0.239 358 R C 1.786 178.075 176.300 -0.018 0.000 1.135 358 R CA 1.233 57.331 56.100 -0.003 0.000 0.967 358 R CB -0.863 29.428 30.300 -0.014 0.000 0.861 358 R HN 0.488 nan 8.270 nan 0.000 0.442 359 A N 1.249 124.051 122.820 -0.030 0.000 1.877 359 A HA -0.037 4.284 4.320 0.002 0.000 0.216 359 A C 2.427 179.954 177.584 -0.095 0.000 1.186 359 A CA 1.796 53.799 52.037 -0.055 0.000 0.620 359 A CB -0.599 18.370 19.000 -0.053 0.000 0.822 359 A HN 0.339 nan 8.150 nan 0.000 0.443 360 A N -0.519 122.247 122.820 -0.090 0.000 1.902 360 A HA -0.028 4.293 4.320 0.002 0.000 0.217 360 A C 2.140 179.628 177.584 -0.161 0.000 1.181 360 A CA 1.738 53.664 52.037 -0.186 0.000 0.623 360 A CB -0.667 18.313 19.000 -0.035 0.000 0.818 360 A HN 0.679 nan 8.150 nan 0.000 0.443 361 L N -0.036 121.205 121.223 0.031 0.000 2.012 361 L HA -0.132 4.209 4.340 0.002 0.000 0.210 361 L C 2.614 179.511 176.870 0.044 0.000 1.073 361 L CA 2.655 57.563 54.840 0.114 0.000 0.748 361 L CB -0.861 41.251 42.059 0.089 0.000 0.891 361 L HN 0.364 nan 8.230 nan 0.000 0.431 362 S N -0.648 115.041 115.700 -0.017 0.000 2.370 362 S HA -0.158 4.314 4.470 0.002 0.000 0.226 362 S C 2.062 176.629 174.600 -0.054 0.000 1.033 362 S CA 1.391 59.574 58.200 -0.030 0.000 1.011 362 S CB -0.929 62.246 63.200 -0.043 0.000 0.852 362 S HN 0.676 nan 8.310 nan 0.000 0.457 363 G N -0.556 108.161 108.800 -0.139 0.000 2.418 363 G HA2 -0.159 3.803 3.960 0.002 0.000 0.217 363 G HA3 -0.159 3.803 3.960 0.002 0.000 0.217 363 G C 1.143 175.960 174.900 -0.138 0.000 1.158 363 G CA 0.936 45.919 45.100 -0.196 0.000 0.771 363 G HN 0.597 nan 8.290 nan 0.000 0.545 364 Y N 0.934 121.235 120.300 0.001 0.000 2.352 364 Y HA -0.020 4.532 4.550 0.002 0.000 0.292 364 Y C 3.071 178.972 175.900 0.002 0.000 1.136 364 Y CA 1.013 59.114 58.100 0.003 0.000 1.227 364 Y CB -0.405 38.060 38.460 0.007 0.000 0.991 364 Y HN 0.297 nan 8.280 nan 0.000 0.545 365 Q N -0.239 119.641 119.800 0.133 0.000 2.049 365 Q HA -0.147 4.194 4.340 0.002 0.000 0.198 365 Q C 1.975 178.003 176.000 0.047 0.000 0.971 365 Q CA 1.216 57.065 55.803 0.076 0.000 0.833 365 Q CB -0.065 28.701 28.738 0.045 0.000 0.896 365 Q HN 0.371 nan 8.270 nan 0.000 0.434 366 E N 0.920 121.136 120.200 0.026 0.000 2.153 366 E HA -0.142 4.209 4.350 0.002 0.000 0.194 366 E C 1.015 177.628 176.600 0.023 0.000 0.988 366 E CA 0.913 57.321 56.400 0.012 0.000 0.811 366 E CB -0.041 29.654 29.700 -0.007 0.000 0.746 366 E HN 0.360 nan 8.360 nan 0.000 0.466 367 D N 0.598 121.023 120.400 0.042 0.000 2.340 367 D HA -0.008 4.633 4.640 0.002 0.000 0.220 367 D C -0.060 176.277 176.300 0.061 0.000 1.039 367 D CA -0.014 54.018 54.000 0.052 0.000 0.866 367 D CB 0.046 40.890 40.800 0.073 0.000 0.913 367 D HN 0.058 nan 8.370 nan 0.000 0.523 368 N N 1.906 120.642 118.700 0.061 0.000 2.735 368 N HA -0.181 4.560 4.740 0.002 0.000 0.248 368 N C -0.510 175.031 175.510 0.051 0.000 1.083 368 N CA 0.612 53.691 53.050 0.049 0.000 0.703 368 N CB -1.001 37.505 38.487 0.031 0.000 1.005 368 N HN 0.282 nan 8.380 nan 0.000 0.550 369 D N 0.239 120.689 120.400 0.083 0.000 2.563 369 D HA 0.460 5.101 4.640 0.002 0.000 0.222 369 D C 1.219 177.519 176.300 0.000 0.000 1.145 369 D CA 0.187 54.218 54.000 0.051 0.000 1.001 369 D CB 0.286 41.159 40.800 0.122 0.000 1.049 369 D HN 0.325 nan 8.370 nan 0.000 0.515 370 A N 3.477 126.295 122.820 -0.003 0.000 1.908 370 A HA -0.192 4.129 4.320 0.002 0.000 0.218 370 A C 2.083 179.639 177.584 -0.046 0.000 1.181 370 A CA 1.057 53.087 52.037 -0.011 0.000 0.627 370 A CB -0.501 18.497 19.000 -0.003 0.000 0.818 370 A HN 0.601 nan 8.150 nan 0.000 0.445 371 L N -1.434 119.746 121.223 -0.072 0.000 2.017 371 L HA -0.160 4.181 4.340 0.002 0.000 0.208 371 L C 2.443 179.210 176.870 -0.172 0.000 1.073 371 L CA 1.723 56.505 54.840 -0.096 0.000 0.745 371 L CB -0.207 41.800 42.059 -0.086 0.000 0.894 371 L HN 0.276 nan 8.230 nan 0.000 0.432 372 M N -0.677 118.733 119.600 -0.317 0.000 2.319 372 M HA -0.047 4.434 4.480 0.002 0.000 0.265 372 M C 2.384 178.373 176.300 -0.519 0.000 1.068 372 M CA 1.423 56.353 55.300 -0.617 0.000 1.118 372 M CB -1.430 30.380 32.600 -1.317 0.000 1.395 372 M HN 0.456 nan 8.290 nan 0.000 0.435 373 A N -0.710 121.961 122.820 -0.250 0.000 1.873 373 A HA -0.148 4.174 4.320 0.002 0.000 0.215 373 A C 2.389 179.987 177.584 0.023 0.000 1.186 373 A CA 2.310 54.352 52.037 0.009 0.000 0.616 373 A CB -1.109 17.936 19.000 0.074 0.000 0.823 373 A HN 0.420 nan 8.150 nan 0.000 0.442 374 T N -1.018 113.534 114.554 -0.003 0.000 2.821 374 T HA -0.110 4.242 4.350 0.002 0.000 0.267 374 T C 1.901 176.623 174.700 0.037 0.000 1.046 374 T CA 1.769 63.895 62.100 0.044 0.000 1.139 374 T CB -0.206 68.683 68.868 0.034 0.000 0.871 374 T HN 0.597 nan 8.240 nan 0.000 0.454 375 E N 0.405 120.586 120.200 -0.031 0.000 2.204 375 E HA -0.057 4.294 4.350 0.002 0.000 0.194 375 E C 2.100 178.703 176.600 0.006 0.000 0.989 375 E CA 1.411 57.790 56.400 -0.036 0.000 0.824 375 E CB -0.577 29.069 29.700 -0.091 0.000 0.756 375 E HN 0.384 nan 8.360 nan 0.000 0.477 376 T N 0.710 115.281 114.554 0.028 0.000 2.821 376 T HA -0.045 4.307 4.350 0.002 0.000 0.267 376 T C 1.695 176.477 174.700 0.136 0.000 1.046 376 T CA 1.133 63.294 62.100 0.103 0.000 1.139 376 T CB -0.130 68.851 68.868 0.188 0.000 0.871 376 T HN 0.143 nan 8.240 nan 0.000 0.454 377 L N 0.309 121.635 121.223 0.171 0.000 2.072 377 L HA -0.018 4.323 4.340 0.002 0.000 0.205 377 L C 2.732 179.735 176.870 0.222 0.000 1.079 377 L CA 0.931 55.949 54.840 0.296 0.000 0.752 377 L CB -0.377 41.906 42.059 0.374 0.000 0.906 377 L HN 0.053 nan 8.230 nan 0.000 0.436 378 K N 0.484 120.962 120.400 0.130 0.000 2.147 378 K HA -0.129 4.193 4.320 0.002 0.000 0.205 378 K C 2.122 178.718 176.600 -0.006 0.000 1.049 378 K CA 1.156 57.465 56.287 0.037 0.000 0.936 378 K CB -0.268 32.219 32.500 -0.021 0.000 0.722 378 K HN 0.304 nan 8.250 nan 0.000 0.446 379 R N 0.160 120.665 120.500 0.009 0.000 2.120 379 R HA -0.081 4.261 4.340 0.002 0.000 0.234 379 R C 2.255 178.536 176.300 -0.031 0.000 1.123 379 R CA 1.300 57.391 56.100 -0.016 0.000 0.975 379 R CB -0.231 30.073 30.300 0.006 0.000 0.866 379 R HN 0.163 nan 8.270 nan 0.000 0.446 380 A N 0.050 122.876 122.820 0.010 0.000 1.874 380 A HA -0.161 4.160 4.320 0.002 0.000 0.214 380 A C 1.921 179.432 177.584 -0.121 0.000 1.189 380 A CA 0.778 52.819 52.037 0.007 0.000 0.615 380 A CB -0.664 18.434 19.000 0.163 0.000 0.830 380 A HN 0.402 nan 8.150 nan 0.000 0.443 381 Y N 0.855 120.887 120.300 -0.447 0.000 2.224 381 Y HA -0.153 4.399 4.550 0.002 0.000 0.289 381 Y C 2.348 178.033 175.900 -0.358 0.000 1.146 381 Y CA 1.829 59.515 58.100 -0.691 0.000 1.182 381 Y CB -0.211 37.653 38.460 -0.994 0.000 0.983 381 Y HN 0.223 nan 8.280 nan 0.000 0.524 382 R N -0.330 119.953 120.500 -0.361 0.000 2.235 382 R HA -0.020 4.321 4.340 0.002 0.000 0.213 382 R C 0.408 176.525 176.300 -0.304 0.000 1.059 382 R CA 0.945 56.832 56.100 -0.355 0.000 0.997 382 R CB -0.533 29.653 30.300 -0.191 0.000 0.884 382 R HN 0.169 nan 8.270 nan 0.000 0.462 383 T N 1.588 115.991 114.554 -0.252 0.000 2.853 383 T HA -0.036 4.316 4.350 0.002 0.000 0.298 383 T C -0.155 174.416 174.700 -0.215 0.000 0.978 383 T CA -0.068 61.916 62.100 -0.194 0.000 1.152 383 T CB 0.919 69.699 68.868 -0.146 0.000 0.914 383 T HN 0.003 nan 8.240 nan 0.000 0.539 384 D N 3.153 123.447 120.400 -0.177 0.000 2.374 384 D HA 0.116 4.758 4.640 0.002 0.000 0.240 384 D C 1.082 177.303 176.300 -0.132 0.000 1.229 384 D CA -0.732 53.172 54.000 -0.160 0.000 0.895 384 D CB 0.429 41.152 40.800 -0.129 0.000 1.046 384 D HN 0.328 nan 8.370 nan 0.000 0.498 385 V N 1.648 121.481 119.914 -0.134 0.000 3.633 385 V HA 0.131 4.252 4.120 0.002 0.000 0.283 385 V C 1.697 177.747 176.094 -0.074 0.000 1.305 385 V CA 0.094 62.329 62.300 -0.109 0.000 1.153 385 V CB -0.044 31.708 31.823 -0.119 0.000 0.950 385 V HN 0.312 nan 8.190 nan 0.000 0.432 386 E N 2.575 122.734 120.200 -0.070 0.000 2.130 386 E HA -0.126 4.225 4.350 0.002 0.000 0.196 386 E C -0.183 176.416 176.600 -0.001 0.000 0.998 386 E CA 2.351 58.726 56.400 -0.042 0.000 0.806 386 E CB -1.429 28.244 29.700 -0.045 0.000 0.738 386 E HN 0.515 nan 8.360 nan 0.000 0.459 387 P HA -0.093 nan 4.420 nan 0.000 0.217 387 P C 1.197 178.620 177.300 0.206 0.000 1.150 387 P CA 1.229 64.391 63.100 0.103 0.000 0.832 387 P CB -0.013 31.736 31.700 0.082 0.000 0.787 388 I N -1.805 118.839 120.570 0.124 0.000 2.252 388 I HA -0.205 3.966 4.170 0.002 0.000 0.245 388 I C 1.919 178.095 176.117 0.099 0.000 1.102 388 I CA 1.101 62.501 61.300 0.167 0.000 1.385 388 I CB -0.605 37.416 38.000 0.034 0.000 1.064 388 I HN -0.103 nan 8.210 nan 0.000 0.414 389 L N 0.833 122.076 121.223 0.033 0.000 2.046 389 L HA -0.165 4.176 4.340 0.002 0.000 0.208 389 L C 2.688 179.568 176.870 0.017 0.000 1.077 389 L CA 2.171 57.017 54.840 0.009 0.000 0.747 389 L CB -1.215 40.830 42.059 -0.024 0.000 0.896 389 L HN 0.196 nan 8.230 nan 0.000 0.432 390 A N -0.991 121.842 122.820 0.021 0.000 1.898 390 A HA -0.211 4.111 4.320 0.002 0.000 0.216 390 A C 2.310 179.891 177.584 -0.006 0.000 1.181 390 A CA 1.633 53.676 52.037 0.009 0.000 0.620 390 A CB -0.471 18.537 19.000 0.012 0.000 0.819 390 A HN 0.391 nan 8.150 nan 0.000 0.442 391 E N 0.378 120.574 120.200 -0.007 0.000 2.106 391 E HA 0.001 4.352 4.350 0.002 0.000 0.192 391 E C 1.958 178.519 176.600 -0.065 0.000 0.984 391 E CA 1.425 57.760 56.400 -0.108 0.000 0.806 391 E CB -0.474 29.041 29.700 -0.307 0.000 0.750 391 E HN 0.438 nan 8.360 nan 0.000 0.458 392 A N 0.870 123.689 122.820 -0.002 0.000 1.902 392 A HA -0.184 4.137 4.320 0.002 0.000 0.217 392 A C 2.244 179.837 177.584 0.014 0.000 1.181 392 A CA 1.675 53.722 52.037 0.016 0.000 0.623 392 A CB -0.460 18.563 19.000 0.038 0.000 0.818 392 A HN 0.210 nan 8.150 nan 0.000 0.443 393 R N -1.138 119.369 120.500 0.012 0.000 2.066 393 R HA -0.088 4.253 4.340 0.002 0.000 0.232 393 R C 2.560 178.863 176.300 0.005 0.000 1.131 393 R CA 1.392 57.501 56.100 0.015 0.000 0.955 393 R CB -0.352 29.954 30.300 0.010 0.000 0.851 393 R HN 0.545 nan 8.270 nan 0.000 0.432 394 R N 1.619 122.110 120.500 -0.015 0.000 2.083 394 R HA -0.166 4.176 4.340 0.002 0.000 0.237 394 R C 2.111 178.397 176.300 -0.022 0.000 1.137 394 R CA 1.973 58.059 56.100 -0.024 0.000 0.951 394 R CB -0.090 30.180 30.300 -0.050 0.000 0.851 394 R HN 0.231 nan 8.270 nan 0.000 0.434 395 R N -0.173 120.309 120.500 -0.031 0.000 2.313 395 R HA 0.020 4.361 4.340 0.002 0.000 0.199 395 R C 0.592 176.896 176.300 0.006 0.000 0.958 395 R CA 1.299 57.386 56.100 -0.022 0.000 1.047 395 R CB 0.139 30.414 30.300 -0.041 0.000 0.955 395 R HN 0.186 nan 8.270 nan 0.000 0.481 396 T N -4.272 110.294 114.554 0.019 0.000 3.132 396 T HA 0.360 4.711 4.350 0.002 0.000 0.274 396 T C 1.131 175.856 174.700 0.042 0.000 1.011 396 T CA 0.075 62.199 62.100 0.039 0.000 0.899 396 T CB 1.056 69.961 68.868 0.061 0.000 1.089 396 T HN 0.361 nan 8.240 nan 0.000 0.543 397 G N 0.185 109.007 108.800 0.037 0.000 2.176 397 G HA2 -0.024 3.937 3.960 0.002 0.000 0.232 397 G HA3 -0.024 3.937 3.960 0.002 0.000 0.232 397 G C 0.482 175.413 174.900 0.050 0.000 0.986 397 G CA -0.241 44.890 45.100 0.052 0.000 0.643 397 G HN 0.989 nan 8.290 nan 0.000 0.522 398 G N -0.298 108.522 108.800 0.034 0.000 2.531 398 G HA2 0.815 4.776 3.960 0.002 0.000 0.281 398 G HA3 0.815 4.776 3.960 0.002 0.000 0.281 398 G C 0.209 175.121 174.900 0.019 0.000 1.382 398 G CA 0.260 45.376 45.100 0.028 0.000 1.045 398 G HN 1.505 nan 8.290 nan 0.000 0.533 399 A N -1.365 121.464 122.820 0.015 0.000 2.324 399 A HA 0.567 4.888 4.320 0.002 0.000 0.330 399 A C 1.164 178.750 177.584 0.004 0.000 1.165 399 A CA -0.502 51.542 52.037 0.011 0.000 0.813 399 A CB 1.640 20.651 19.000 0.018 0.000 1.197 399 A HN 0.668 nan 8.150 nan 0.000 0.484 400 V N 1.146 121.060 119.914 -0.000 0.000 2.287 400 V HA -0.115 4.006 4.120 0.002 0.000 0.248 400 V C 0.807 176.900 176.094 -0.001 0.000 1.053 400 V CA 2.467 64.765 62.300 -0.004 0.000 1.027 400 V CB -0.327 31.492 31.823 -0.007 0.000 0.646 400 V HN 0.893 nan 8.190 nan 0.000 0.447 401 D N -1.508 118.894 120.400 0.003 0.000 2.408 401 D HA 0.247 4.889 4.640 0.002 0.000 0.261 401 D C -1.984 174.324 176.300 0.013 0.000 1.190 401 D CA -2.095 51.908 54.000 0.004 0.000 0.910 401 D CB 1.956 42.760 40.800 0.007 0.000 1.097 401 D HN 0.048 nan 8.370 nan 0.000 0.522 402 P HA -0.170 nan 4.420 nan 0.000 0.214 402 P C 1.662 178.983 177.300 0.036 0.000 1.163 402 P CA 0.674 63.778 63.100 0.008 0.000 0.889 402 P CB 0.493 32.179 31.700 -0.025 0.000 0.790 403 V N -0.133 119.793 119.914 0.019 0.000 2.407 403 V HA -0.253 3.868 4.120 0.002 0.000 0.248 403 V C 2.457 178.621 176.094 0.117 0.000 1.055 403 V CA 2.190 64.526 62.300 0.060 0.000 1.049 403 V CB -1.740 30.094 31.823 0.018 0.000 0.662 403 V HN 0.105 nan 8.190 nan 0.000 0.455 404 A N -0.274 122.587 122.820 0.067 0.000 1.902 404 A HA -0.231 4.091 4.320 0.002 0.000 0.217 404 A C 2.403 180.025 177.584 0.063 0.000 1.181 404 A CA 2.554 54.625 52.037 0.057 0.000 0.623 404 A CB -0.952 18.067 19.000 0.031 0.000 0.818 404 A HN 0.502 nan 8.150 nan 0.000 0.443 405 T N -1.657 112.937 114.554 0.067 0.000 2.777 405 T HA -0.138 4.213 4.350 0.002 0.000 0.266 405 T C 1.780 176.534 174.700 0.090 0.000 1.040 405 T CA 1.534 63.670 62.100 0.061 0.000 1.141 405 T CB -0.421 68.478 68.868 0.052 0.000 0.868 405 T HN 0.571 nan 8.240 nan 0.000 0.444 406 Y N 2.358 122.654 120.300 -0.006 0.000 2.128 406 Y HA -0.163 4.388 4.550 0.002 0.000 0.284 406 Y C 2.441 178.361 175.900 0.034 0.000 1.154 406 Y CA 1.343 59.442 58.100 -0.001 0.000 1.149 406 Y CB -0.168 38.276 38.460 -0.027 0.000 0.976 406 Y HN 0.015 nan 8.280 nan 0.000 0.505 407 R N -0.178 120.349 120.500 0.045 0.000 2.092 407 R HA -0.078 4.263 4.340 0.002 0.000 0.231 407 R C 2.503 178.764 176.300 -0.064 0.000 1.119 407 R CA 1.019 57.092 56.100 -0.046 0.000 0.970 407 R CB -0.641 29.689 30.300 0.051 0.000 0.864 407 R HN 0.432 nan 8.270 nan 0.000 0.440 408 A N 1.266 124.073 122.820 -0.022 0.000 1.972 408 A HA -0.173 4.148 4.320 0.002 0.000 0.219 408 A C 2.212 179.775 177.584 -0.034 0.000 1.169 408 A CA 1.841 53.866 52.037 -0.020 0.000 0.635 408 A CB -0.451 18.548 19.000 -0.002 0.000 0.810 408 A HN 0.434 nan 8.150 nan 0.000 0.446 409 S N -1.461 114.210 115.700 -0.048 0.000 2.453 409 S HA 0.270 4.742 4.470 0.002 0.000 0.231 409 S C 1.585 176.151 174.600 -0.056 0.000 1.005 409 S CA 1.258 59.437 58.200 -0.034 0.000 0.949 409 S CB -0.700 62.498 63.200 -0.004 0.000 0.774 409 S HN 1.977 nan 8.310 nan 0.000 0.510 410 G N 0.323 109.052 108.800 -0.120 0.000 2.160 410 G HA2 -0.383 3.579 3.960 0.002 0.000 0.251 410 G HA3 -0.383 3.579 3.960 0.002 0.000 0.251 410 G C 0.214 175.037 174.900 -0.129 0.000 1.008 410 G CA 0.469 45.498 45.100 -0.119 0.000 0.724 410 G HN 0.626 nan 8.290 nan 0.000 0.514 411 Y N 0.782 120.890 120.300 -0.319 0.000 2.114 411 Y HA -0.216 4.335 4.550 0.002 0.000 0.282 411 Y C 2.814 178.620 175.900 -0.157 0.000 1.165 411 Y CA 2.826 60.785 58.100 -0.236 0.000 1.148 411 Y CB -0.134 38.169 38.460 -0.262 0.000 0.972 411 Y HN 0.343 nan 8.280 nan 0.000 0.504 412 R N 0.924 121.366 120.500 -0.097 0.000 2.083 412 R HA -0.142 4.199 4.340 0.002 0.000 0.237 412 R C 2.248 178.504 176.300 -0.072 0.000 1.137 412 R CA 1.829 57.936 56.100 0.011 0.000 0.951 412 R CB -1.234 29.123 30.300 0.095 0.000 0.851 412 R HN 0.403 nan 8.270 nan 0.000 0.434 413 A N 0.807 123.575 122.820 -0.087 0.000 1.972 413 A HA -0.146 4.176 4.320 0.002 0.000 0.219 413 A C 2.263 179.785 177.584 -0.104 0.000 1.169 413 A CA 1.524 53.518 52.037 -0.072 0.000 0.635 413 A CB -0.637 18.328 19.000 -0.059 0.000 0.810 413 A HN 0.442 nan 8.150 nan 0.000 0.446 414 R N 0.314 120.715 120.500 -0.165 0.000 2.070 414 R HA -0.128 4.213 4.340 0.002 0.000 0.233 414 R C 2.035 178.204 176.300 -0.218 0.000 1.137 414 R CA 2.370 58.354 56.100 -0.193 0.000 0.945 414 R CB -0.635 29.512 30.300 -0.254 0.000 0.845 414 R HN 0.499 nan 8.270 nan 0.000 0.430 415 V N -1.403 118.312 119.914 -0.332 0.000 2.809 415 V HA 0.056 4.177 4.120 0.002 0.000 0.256 415 V C 2.325 178.356 176.094 -0.105 0.000 1.080 415 V CA 1.446 63.601 62.300 -0.241 0.000 1.102 415 V CB -0.865 30.783 31.823 -0.292 0.000 0.705 415 V HN 0.394 nan 8.190 nan 0.000 0.475 416 A N 0.853 123.624 122.820 -0.082 0.000 1.933 416 A HA 0.150 4.471 4.320 0.002 0.000 0.218 416 A C 2.392 179.959 177.584 -0.029 0.000 1.175 416 A CA 1.982 54.000 52.037 -0.031 0.000 0.628 416 A CB -0.833 18.156 19.000 -0.018 0.000 0.814 416 A HN 0.944 nan 8.150 nan 0.000 0.444 417 A N -0.458 122.335 122.820 -0.045 0.000 2.119 417 A HA 0.036 4.357 4.320 0.002 0.000 0.216 417 A C 1.670 179.236 177.584 -0.030 0.000 1.152 417 A CA 1.109 53.126 52.037 -0.033 0.000 0.708 417 A CB -0.247 18.730 19.000 -0.038 0.000 0.805 417 A HN 0.624 nan 8.150 nan 0.000 0.460 418 E N -0.633 119.543 120.200 -0.040 0.000 2.472 418 E HA 0.088 4.439 4.350 0.002 0.000 0.196 418 E C 0.124 176.719 176.600 -0.009 0.000 1.033 418 E CA 0.029 56.412 56.400 -0.028 0.000 0.886 418 E CB 0.338 30.013 29.700 -0.042 0.000 0.944 418 E HN 0.467 nan 8.360 nan 0.000 0.492 419 R N 1.005 121.502 120.500 -0.006 0.000 2.854 419 R HA 0.391 4.732 4.340 0.002 0.000 0.271 419 R C -2.647 173.662 176.300 0.015 0.000 0.996 419 R CA -2.117 53.990 56.100 0.012 0.000 0.961 419 R CB 0.924 31.237 30.300 0.021 0.000 1.182 419 R HN -0.138 nan 8.270 nan 0.000 0.479 420 P HA 0.049 nan 4.420 nan 0.000 0.270 420 P C -0.893 176.422 177.300 0.024 0.000 1.223 420 P CA -0.131 62.982 63.100 0.022 0.000 0.785 420 P CB 0.565 32.280 31.700 0.025 0.000 0.923 421 A N 1.613 124.447 122.820 0.023 0.000 2.332 421 A HA 0.497 4.818 4.320 0.002 0.000 0.258 421 A C 0.193 177.795 177.584 0.030 0.000 1.087 421 A CA 0.071 52.124 52.037 0.027 0.000 0.802 421 A CB -0.022 18.993 19.000 0.025 0.000 1.042 421 A HN 0.479 nan 8.150 nan 0.000 0.489 422 S N -1.161 114.561 115.700 0.036 0.000 2.621 422 S HA 0.643 5.114 4.470 0.002 0.000 0.302 422 S C -0.220 174.401 174.600 0.035 0.000 1.093 422 S CA -0.306 57.915 58.200 0.036 0.000 1.017 422 S CB 1.589 64.815 63.200 0.043 0.000 1.077 422 S HN 1.355 nan 8.310 nan 0.000 0.517 423 V N -0.404 119.526 119.914 0.025 0.000 2.715 423 V HA 0.971 5.093 4.120 0.002 0.000 0.310 423 V C 0.145 176.245 176.094 0.009 0.000 1.054 423 V CA -1.184 61.129 62.300 0.021 0.000 0.928 423 V CB 0.877 32.708 31.823 0.013 0.000 1.007 423 V HN 0.981 nan 8.190 nan 0.000 0.437 424 A N 2.535 125.361 122.820 0.010 0.000 2.332 424 A HA 0.951 5.272 4.320 0.002 0.000 0.258 424 A C 0.637 178.174 177.584 -0.077 0.000 1.087 424 A CA 0.397 52.412 52.037 -0.037 0.000 0.802 424 A CB 0.520 19.523 19.000 0.004 0.000 1.042 424 A HN 2.189 nan 8.150 nan 0.000 0.489 425 G N -1.215 107.491 108.800 -0.157 0.000 2.634 425 G HA2 0.596 4.557 3.960 0.002 0.000 0.309 425 G HA3 0.596 4.557 3.960 0.002 0.000 0.309 425 G C 0.070 174.870 174.900 -0.168 0.000 1.299 425 G CA 0.062 45.087 45.100 -0.125 0.000 0.798 425 G HN 1.288 nan 8.290 nan 0.000 0.490 426 G N -0.998 107.739 108.800 -0.105 0.000 2.516 426 G HA2 0.550 4.511 3.960 0.002 0.000 0.276 426 G HA3 0.550 4.511 3.960 0.002 0.000 0.276 426 G C 0.878 175.714 174.900 -0.106 0.000 1.390 426 G CA 0.393 45.438 45.100 -0.092 0.000 1.050 426 G HN 1.261 nan 8.290 nan 0.000 0.519 427 G N -2.267 106.480 108.800 -0.087 0.000 2.664 427 G HA2 0.576 4.538 3.960 0.002 0.000 0.242 427 G HA3 0.576 4.538 3.960 0.002 0.000 0.242 427 G C 0.352 175.199 174.900 -0.088 0.000 1.225 427 G CA 0.685 45.727 45.100 -0.096 0.000 0.849 427 G HN 1.798 nan 8.290 nan 0.000 0.581 428 G N -0.197 108.545 108.800 -0.097 0.000 2.462 428 G HA2 0.393 4.354 3.960 0.002 0.000 0.424 428 G HA3 0.393 4.354 3.960 0.002 0.000 0.424 428 G C -0.174 174.638 174.900 -0.146 0.000 1.573 428 G CA -0.351 44.693 45.100 -0.094 0.000 0.913 428 G HN 1.279 nan 8.290 nan 0.000 0.672 429 I N 0.000 120.447 120.570 -0.205 0.000 2.984 429 I HA 0.000 4.171 4.170 0.002 0.000 0.288 429 I CA 0.000 61.077 61.300 -0.372 0.000 1.566 429 I CB 0.000 37.619 38.000 -0.635 0.000 1.214 429 I HN 0.000 nan 8.210 nan 0.000 0.494