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 1cx8_1_G DATA FIRST_RESID 122 DATA SEQUENCE LYWDDLKRKL SEKLDSTDFT STIKLLNENS YVPREAGSQK DENLALYVEN DATA SEQUENCE EFREFKLSKV WRDQHFVKIQ VKDSAQNSVI IVDKNGRLVY LVENPGGYVA DATA SEQUENCE YSKAATVTGK LVHANFGTKK DFEDLYTPVN GSIVIVRAGK ITFAEKVANA DATA SEQUENCE ESLNAIGVLI YMDQTKFPIV NAELSFFGHA HLGTGDPYTP GFPSFNHTQF DATA SEQUENCE PPSRSSGLPN IPVQTISRAA AEKLFGNMEG DcPSDWKTDS TcRMVTSESK DATA SEQUENCE NVKLTVSNVL KEIKILNIFG VIKGFVEPDH YVVVGAQRDA WGPGAAKSGV DATA SEQUENCE GTALLLKLAQ MFSDMVLKDG FQPSRSIIFA SWSAGDFGSV GATEWLEGYL DATA SEQUENCE SSLHLKAFTY INLDKAVLGT SNFKVSASPL LYTLIEKTMQ NVKHPVTGQF DATA SEQUENCE LYQDSNWASK VEKLTLDNAA FPFLAYSGIP AVSFCFCEDT DYPYLGTTMD DATA SEQUENCE TYKELIERIP ELNKVARAAA EVAGQFVIKL THDVELNLDY EEYNSQLLSF DATA SEQUENCE VRDLNQYRAD IKEMGLSLQW LYSARGDFFR ATSRLTTDFG NAEKTDRFVM DATA SEQUENCE KKLNDRVMRV EYHFLSPYVS PKESPFRHVF WGSGSHTLPA LLENLKLRKQ DATA SEQUENCE NNGAFNETLF RNQLALATWT IQGAANALSG DVWDIDNEF 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 122 L HA 0.000 nan 4.340 nan 0.000 0.249 122 L C 0.000 176.690 176.870 -0.300 0.000 1.165 122 L CA 0.000 54.730 54.840 -0.183 0.000 0.813 122 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 123 Y N -0.458 119.816 120.300 -0.043 0.000 2.519 123 Y HA 0.182 4.723 4.550 -0.015 0.000 0.324 123 Y C 1.038 176.841 175.900 -0.161 0.000 1.214 123 Y CA 0.036 58.105 58.100 -0.052 0.000 1.260 123 Y CB 1.133 39.608 38.460 0.025 0.000 1.311 123 Y HN 0.735 nan 8.280 nan 0.000 0.505 124 W N 1.977 123.168 121.300 -0.182 0.000 2.302 124 W HA -0.334 4.317 4.660 -0.015 0.000 0.320 124 W C 1.135 177.591 176.519 -0.106 0.000 1.241 124 W CA 2.561 59.764 57.345 -0.237 0.000 1.264 124 W CB -0.286 29.134 29.460 -0.067 0.000 1.154 124 W HN 0.912 nan 8.180 nan 0.000 0.483 125 D N 0.551 120.823 120.400 -0.213 0.000 2.133 125 D HA -0.300 4.331 4.640 -0.015 0.000 0.192 125 D C 1.584 177.674 176.300 -0.349 0.000 1.001 125 D CA 2.256 56.059 54.000 -0.328 0.000 0.844 125 D CB -1.223 39.519 40.800 -0.098 0.000 0.944 125 D HN 0.148 nan 8.370 nan 0.000 0.447 126 D N 0.242 120.517 120.400 -0.209 0.000 2.087 126 D HA -0.124 4.506 4.640 -0.015 0.000 0.192 126 D C 2.271 178.383 176.300 -0.313 0.000 0.993 126 D CA 0.766 54.650 54.000 -0.193 0.000 0.828 126 D CB -0.232 40.510 40.800 -0.097 0.000 0.968 126 D HN 0.152 nan 8.370 nan 0.000 0.448 127 L N 1.126 122.112 121.223 -0.396 0.000 2.079 127 L HA -0.150 4.181 4.340 -0.015 0.000 0.210 127 L C 2.367 178.871 176.870 -0.610 0.000 1.081 127 L CA 1.320 55.860 54.840 -0.501 0.000 0.752 127 L CB -1.052 40.704 42.059 -0.504 0.000 0.896 127 L HN 0.100 nan 8.230 nan 0.000 0.433 128 K N 0.088 119.945 120.400 -0.904 0.000 2.002 128 K HA -0.189 4.121 4.320 -0.015 0.000 0.209 128 K C 2.305 178.611 176.600 -0.489 0.000 1.048 128 K CA 1.233 56.970 56.287 -0.917 0.000 0.930 128 K CB 0.053 31.794 32.500 -1.265 0.000 0.714 128 K HN 0.110 nan 8.250 nan 0.000 0.438 129 R N 0.614 120.872 120.500 -0.404 0.000 2.083 129 R HA -0.176 4.155 4.340 -0.015 0.000 0.237 129 R C 2.365 178.527 176.300 -0.231 0.000 1.137 129 R CA 1.846 57.791 56.100 -0.259 0.000 0.951 129 R CB -0.166 30.012 30.300 -0.203 0.000 0.851 129 R HN -0.011 nan 8.270 nan 0.000 0.434 130 K N 0.915 121.166 120.400 -0.249 0.000 1.978 130 K HA -0.176 4.135 4.320 -0.015 0.000 0.214 130 K C 1.877 178.338 176.600 -0.233 0.000 1.049 130 K CA 1.475 57.632 56.287 -0.218 0.000 0.939 130 K CB -0.815 31.550 32.500 -0.225 0.000 0.721 130 K HN 0.083 nan 8.250 nan 0.000 0.441 131 L N 0.688 121.734 121.223 -0.295 0.000 2.211 131 L HA -0.219 4.112 4.340 -0.015 0.000 0.216 131 L C 2.182 178.928 176.870 -0.206 0.000 1.092 131 L CA 2.202 56.870 54.840 -0.286 0.000 0.767 131 L CB -1.013 40.863 42.059 -0.304 0.000 0.894 131 L HN 0.358 nan 8.230 nan 0.000 0.437 132 S N -0.561 115.021 115.700 -0.197 0.000 2.335 132 S HA -0.196 4.265 4.470 -0.015 0.000 0.217 132 S C 1.900 176.415 174.600 -0.141 0.000 1.032 132 S CA 1.001 59.107 58.200 -0.155 0.000 0.985 132 S CB -0.368 62.740 63.200 -0.154 0.000 0.896 132 S HN 0.793 nan 8.310 nan 0.000 0.445 133 E N 0.742 120.859 120.200 -0.140 0.000 2.118 133 E HA -0.198 4.142 4.350 -0.015 0.000 0.195 133 E C 1.828 178.354 176.600 -0.123 0.000 0.992 133 E CA 1.075 57.402 56.400 -0.122 0.000 0.804 133 E CB -0.260 29.374 29.700 -0.109 0.000 0.741 133 E HN 0.329 nan 8.360 nan 0.000 0.458 134 K N 0.504 120.824 120.400 -0.133 0.000 2.097 134 K HA -0.066 4.245 4.320 -0.015 0.000 0.206 134 K C 2.134 178.658 176.600 -0.126 0.000 1.049 134 K CA 0.638 56.849 56.287 -0.126 0.000 0.933 134 K CB -0.266 32.143 32.500 -0.151 0.000 0.717 134 K HN 0.237 nan 8.250 nan 0.000 0.442 135 L N 1.774 122.920 121.223 -0.128 0.000 2.217 135 L HA -0.110 4.221 4.340 -0.015 0.000 0.211 135 L C 1.372 178.119 176.870 -0.205 0.000 1.107 135 L CA 1.566 56.326 54.840 -0.134 0.000 0.783 135 L CB -0.944 41.068 42.059 -0.078 0.000 0.919 135 L HN 0.111 nan 8.230 nan 0.000 0.442 136 D N -0.759 119.543 120.400 -0.163 0.000 2.312 136 D HA -0.046 4.584 4.640 -0.015 0.000 0.211 136 D C 0.812 177.015 176.300 -0.162 0.000 0.964 136 D CA 0.600 54.506 54.000 -0.158 0.000 0.877 136 D CB 0.360 41.086 40.800 -0.123 0.000 0.924 136 D HN 0.088 nan 8.370 nan 0.000 0.515 137 S N -0.186 115.419 115.700 -0.159 0.000 2.272 137 S HA 0.228 4.689 4.470 -0.015 0.000 0.207 137 S C -0.287 174.224 174.600 -0.148 0.000 1.336 137 S CA -0.614 57.505 58.200 -0.135 0.000 1.259 137 S CB 0.738 63.882 63.200 -0.093 0.000 1.130 137 S HN 0.151 nan 8.310 nan 0.000 0.444 138 T N -1.372 113.033 114.554 -0.248 0.000 3.031 138 T HA 0.342 4.682 4.350 -0.015 0.000 0.305 138 T C -1.369 173.103 174.700 -0.380 0.000 0.985 138 T CA -0.749 61.197 62.100 -0.257 0.000 1.008 138 T CB 1.542 70.266 68.868 -0.240 0.000 1.005 138 T HN 0.030 nan 8.240 nan 0.000 0.444 139 D N 2.851 123.170 120.400 -0.134 0.000 2.402 139 D HA 0.225 4.855 4.640 -0.015 0.000 0.235 139 D C 0.301 176.674 176.300 0.122 0.000 1.226 139 D CA -0.542 53.421 54.000 -0.062 0.000 0.918 139 D CB 0.017 40.817 40.800 0.001 0.000 1.043 139 D HN 0.627 nan 8.370 nan 0.000 0.506 140 F N 0.973 120.938 119.950 0.025 0.000 2.234 140 F HA -0.137 4.381 4.527 -0.015 0.000 0.296 140 F C 2.642 178.478 175.800 0.061 0.000 1.089 140 F CA 0.247 58.270 58.000 0.038 0.000 1.343 140 F CB 0.187 39.207 39.000 0.034 0.000 1.040 140 F HN 0.301 nan 8.300 nan 0.000 0.498 141 T N -0.679 114.033 114.554 0.263 0.000 2.759 141 T HA -0.174 4.167 4.350 -0.015 0.000 0.269 141 T C 2.123 176.901 174.700 0.130 0.000 1.042 141 T CA 1.863 64.112 62.100 0.247 0.000 1.140 141 T CB -0.265 68.740 68.868 0.229 0.000 0.864 141 T HN 0.145 nan 8.240 nan 0.000 0.455 142 S N 0.536 116.286 115.700 0.082 0.000 2.348 142 S HA -0.095 4.365 4.470 -0.015 0.000 0.221 142 S C 2.256 176.848 174.600 -0.013 0.000 1.033 142 S CA 1.845 60.048 58.200 0.005 0.000 1.010 142 S CB -0.732 62.489 63.200 0.034 0.000 0.891 142 S HN 0.622 nan 8.310 nan 0.000 0.442 143 T N 2.449 117.043 114.554 0.067 0.000 2.915 143 T HA 0.110 4.451 4.350 -0.015 0.000 0.269 143 T C 1.655 176.375 174.700 0.033 0.000 1.071 143 T CA 0.774 62.917 62.100 0.071 0.000 1.132 143 T CB -0.336 68.604 68.868 0.119 0.000 0.878 143 T HN 0.330 nan 8.240 nan 0.000 0.479 144 I N 0.746 121.345 120.570 0.049 0.000 2.546 144 I HA -0.091 4.070 4.170 -0.015 0.000 0.255 144 I C 2.571 178.659 176.117 -0.048 0.000 1.163 144 I CA 1.050 62.396 61.300 0.077 0.000 1.457 144 I CB -0.271 37.867 38.000 0.230 0.000 1.092 144 I HN 0.175 nan 8.210 nan 0.000 0.434 145 K N 1.722 121.924 120.400 -0.330 0.000 2.044 145 K HA -0.120 4.191 4.320 -0.015 0.000 0.204 145 K C 2.309 178.774 176.600 -0.225 0.000 1.045 145 K CA 0.887 56.797 56.287 -0.630 0.000 0.951 145 K CB -0.131 31.843 32.500 -0.876 0.000 0.738 145 K HN 0.212 nan 8.250 nan 0.000 0.443 146 L N 1.694 122.841 121.223 -0.128 0.000 2.089 146 L HA -0.163 4.167 4.340 -0.015 0.000 0.213 146 L C 1.437 178.342 176.870 0.057 0.000 1.079 146 L CA 1.321 56.143 54.840 -0.029 0.000 0.758 146 L CB -0.137 41.919 42.059 -0.005 0.000 0.891 146 L HN 0.239 nan 8.230 nan 0.000 0.433 147 L N 0.585 121.814 121.223 0.010 0.000 2.801 147 L HA 0.013 4.344 4.340 -0.015 0.000 0.250 147 L C 1.019 177.940 176.870 0.084 0.000 1.222 147 L CA 0.060 54.901 54.840 0.001 0.000 1.054 147 L CB -0.707 41.325 42.059 -0.045 0.000 1.330 147 L HN 0.385 nan 8.230 nan 0.000 0.426 148 N N -0.758 118.003 118.700 0.102 0.000 2.008 148 N HA 0.051 4.781 4.740 -0.015 0.000 0.228 148 N C 0.161 175.706 175.510 0.058 0.000 1.375 148 N CA -0.024 53.078 53.050 0.086 0.000 0.856 148 N CB 1.120 39.645 38.487 0.063 0.000 1.096 148 N HN 0.378 nan 8.380 nan 0.000 0.489 149 E N 0.947 121.170 120.200 0.039 0.000 2.436 149 E HA -0.024 4.317 4.350 -0.015 0.000 0.262 149 E C 0.395 176.936 176.600 -0.098 0.000 1.063 149 E CA 0.111 56.477 56.400 -0.056 0.000 0.944 149 E CB 0.523 30.150 29.700 -0.122 0.000 0.950 149 E HN 0.084 nan 8.360 nan 0.000 0.444 150 N N 0.587 119.216 118.700 -0.118 0.000 2.588 150 N HA -0.125 4.606 4.740 -0.015 0.000 0.190 150 N C 1.050 176.431 175.510 -0.215 0.000 1.094 150 N CA 0.664 53.639 53.050 -0.124 0.000 0.921 150 N CB 0.088 38.514 38.487 -0.103 0.000 0.959 150 N HN 0.236 nan 8.380 nan 0.000 0.448 151 S N -0.458 114.998 115.700 -0.407 0.000 2.399 151 S HA -0.124 4.337 4.470 -0.015 0.000 0.231 151 S C -0.215 173.986 174.600 -0.666 0.000 1.022 151 S CA 1.084 58.863 58.200 -0.701 0.000 0.983 151 S CB -0.197 62.260 63.200 -1.238 0.000 0.803 151 S HN 0.552 nan 8.310 nan 0.000 0.480 152 Y N -1.354 118.902 120.300 -0.074 0.000 2.580 152 Y HA 0.592 5.133 4.550 -0.015 0.000 0.305 152 Y C 0.226 176.101 175.900 -0.041 0.000 1.069 152 Y CA -1.025 57.042 58.100 -0.054 0.000 1.193 152 Y CB -0.621 37.808 38.460 -0.052 0.000 1.126 152 Y HN -0.073 nan 8.280 nan 0.000 0.610 153 V N 1.109 121.069 119.914 0.076 0.000 2.502 153 V HA 0.373 4.483 4.120 -0.015 0.000 0.234 153 V C -1.901 174.199 176.094 0.011 0.000 1.072 153 V CA -0.311 62.017 62.300 0.047 0.000 1.094 153 V CB 0.276 32.103 31.823 0.007 0.000 0.761 153 V HN 0.255 nan 8.190 nan 0.000 0.489 154 P HA 0.201 nan 4.420 nan 0.000 0.220 154 P C -0.658 176.616 177.300 -0.042 0.000 1.806 154 P CA -0.171 62.880 63.100 -0.082 0.000 0.976 154 P CB -0.856 30.764 31.700 -0.134 0.000 1.952 155 R N 0.015 120.521 120.500 0.010 0.000 4.559 155 R HA 0.120 4.450 4.340 -0.015 0.000 0.177 155 R C 0.279 176.605 176.300 0.044 0.000 1.875 155 R CA -0.218 55.906 56.100 0.040 0.000 1.509 155 R CB -0.460 29.880 30.300 0.066 0.000 1.395 155 R HN 0.306 nan 8.270 nan 0.000 0.830 156 E N 1.398 121.612 120.200 0.022 0.000 2.428 156 E HA 0.093 4.434 4.350 -0.015 0.000 0.257 156 E C -0.324 176.343 176.600 0.112 0.000 1.197 156 E CA 0.014 56.455 56.400 0.068 0.000 0.974 156 E CB 0.590 30.318 29.700 0.046 0.000 0.976 156 E HN 0.608 nan 8.360 nan 0.000 0.463 157 A N 1.111 124.051 122.820 0.200 0.000 2.524 157 A HA 0.366 4.677 4.320 -0.015 0.000 0.250 157 A C 0.971 178.588 177.584 0.055 0.000 1.078 157 A CA 0.622 52.758 52.037 0.166 0.000 0.761 157 A CB -0.468 18.688 19.000 0.260 0.000 1.012 157 A HN 0.892 nan 8.150 nan 0.000 0.500 158 G N 2.093 110.912 108.800 0.031 0.000 2.225 158 G HA2 -0.170 3.780 3.960 -0.015 0.000 0.267 158 G HA3 -0.170 3.780 3.960 -0.015 0.000 0.267 158 G C 0.527 175.431 174.900 0.007 0.000 1.024 158 G CA 1.015 46.114 45.100 -0.001 0.000 0.784 158 G HN 2.069 nan 8.290 nan 0.000 0.507 159 S N -1.943 113.770 115.700 0.021 0.000 2.719 159 S HA 0.653 5.114 4.470 -0.015 0.000 0.285 159 S C 1.230 175.839 174.600 0.015 0.000 1.137 159 S CA 0.515 58.724 58.200 0.016 0.000 1.012 159 S CB 1.672 64.881 63.200 0.015 0.000 1.134 159 S HN 0.390 nan 8.310 nan 0.000 0.544 160 Q N 0.848 120.655 119.800 0.010 0.000 2.049 160 Q HA -0.005 4.326 4.340 -0.015 0.000 0.198 160 Q C 1.745 177.762 176.000 0.028 0.000 0.971 160 Q CA 1.698 57.508 55.803 0.012 0.000 0.833 160 Q CB -0.399 28.339 28.738 -0.000 0.000 0.896 160 Q HN 0.651 nan 8.270 nan 0.000 0.434 161 K N 1.251 121.669 120.400 0.030 0.000 2.044 161 K HA -0.201 4.110 4.320 -0.015 0.000 0.210 161 K C 1.828 178.489 176.600 0.102 0.000 1.049 161 K CA 1.590 57.920 56.287 0.072 0.000 0.927 161 K CB -0.988 31.547 32.500 0.059 0.000 0.713 161 K HN 0.448 nan 8.250 nan 0.000 0.443 162 D N 1.345 121.782 120.400 0.062 0.000 2.137 162 D HA -0.240 4.391 4.640 -0.015 0.000 0.189 162 D C 1.810 178.133 176.300 0.037 0.000 0.998 162 D CA 1.555 55.583 54.000 0.048 0.000 0.839 162 D CB -0.076 40.749 40.800 0.041 0.000 0.962 162 D HN 0.359 nan 8.370 nan 0.000 0.446 163 E N -0.431 119.788 120.200 0.032 0.000 2.209 163 E HA -0.186 4.155 4.350 -0.015 0.000 0.196 163 E C 1.940 178.567 176.600 0.045 0.000 0.993 163 E CA 0.706 57.120 56.400 0.024 0.000 0.819 163 E CB 0.098 29.808 29.700 0.018 0.000 0.745 163 E HN 0.296 nan 8.360 nan 0.000 0.477 164 N N 0.596 119.349 118.700 0.088 0.000 2.051 164 N HA -0.167 4.563 4.740 -0.015 0.000 0.192 164 N C 1.892 177.515 175.510 0.188 0.000 1.049 164 N CA 0.785 53.930 53.050 0.159 0.000 0.845 164 N CB -0.561 38.062 38.487 0.227 0.000 1.031 164 N HN 0.165 nan 8.380 nan 0.000 0.425 165 L N 1.666 122.973 121.223 0.140 0.000 2.079 165 L HA -0.085 4.246 4.340 -0.015 0.000 0.210 165 L C 2.152 178.974 176.870 -0.081 0.000 1.081 165 L CA 1.531 56.293 54.840 -0.130 0.000 0.752 165 L CB -1.121 40.775 42.059 -0.272 0.000 0.896 165 L HN 0.156 nan 8.230 nan 0.000 0.433 166 A N -0.325 122.458 122.820 -0.062 0.000 1.873 166 A HA -0.224 4.086 4.320 -0.015 0.000 0.218 166 A C 2.244 179.759 177.584 -0.115 0.000 1.193 166 A CA 2.254 54.228 52.037 -0.104 0.000 0.629 166 A CB -0.995 17.969 19.000 -0.060 0.000 0.826 166 A HN 0.521 nan 8.150 nan 0.000 0.447 167 L N -2.076 119.125 121.223 -0.038 0.000 2.201 167 L HA -0.151 4.180 4.340 -0.015 0.000 0.212 167 L C 2.586 179.437 176.870 -0.031 0.000 1.105 167 L CA 1.371 56.194 54.840 -0.028 0.000 0.775 167 L CB -0.703 41.368 42.059 0.020 0.000 0.913 167 L HN 0.592 nan 8.230 nan 0.000 0.440 168 Y N 1.044 121.255 120.300 -0.148 0.000 2.133 168 Y HA -0.191 4.349 4.550 -0.015 0.000 0.287 168 Y C 2.408 178.123 175.900 -0.309 0.000 1.134 168 Y CA 1.406 59.395 58.100 -0.184 0.000 1.133 168 Y CB -0.581 37.757 38.460 -0.204 0.000 0.987 168 Y HN -0.161 nan 8.280 nan 0.000 0.502 169 V N 0.981 120.546 119.914 -0.583 0.000 2.287 169 V HA -0.322 3.789 4.120 -0.015 0.000 0.248 169 V C 2.421 177.947 176.094 -0.946 0.000 1.053 169 V CA 2.286 64.040 62.300 -0.909 0.000 1.027 169 V CB -0.871 30.475 31.823 -0.794 0.000 0.646 169 V HN 0.479 nan 8.190 nan 0.000 0.447 170 E N 0.329 120.199 120.200 -0.550 0.000 2.070 170 E HA -0.313 4.028 4.350 -0.015 0.000 0.197 170 E C 2.251 178.714 176.600 -0.229 0.000 1.004 170 E CA 1.813 58.027 56.400 -0.311 0.000 0.805 170 E CB -0.224 29.391 29.700 -0.143 0.000 0.744 170 E HN 0.611 nan 8.360 nan 0.000 0.451 171 N N 0.047 118.603 118.700 -0.241 0.000 2.106 171 N HA -0.162 4.569 4.740 -0.015 0.000 0.188 171 N C 1.735 177.054 175.510 -0.320 0.000 1.029 171 N CA 0.996 53.934 53.050 -0.187 0.000 0.848 171 N CB -0.036 38.382 38.487 -0.115 0.000 1.007 171 N HN 0.178 nan 8.380 nan 0.000 0.423 172 E N 0.578 120.437 120.200 -0.567 0.000 2.086 172 E HA -0.193 4.148 4.350 -0.015 0.000 0.200 172 E C 2.010 178.071 176.600 -0.899 0.000 1.012 172 E CA 0.879 56.740 56.400 -0.899 0.000 0.812 172 E CB -0.643 28.405 29.700 -1.086 0.000 0.743 172 E HN 0.514 nan 8.360 nan 0.000 0.453 173 F N 0.733 120.421 119.950 -0.437 0.000 2.095 173 F HA -0.217 4.301 4.527 -0.016 0.000 0.298 173 F C 2.770 178.534 175.800 -0.061 0.000 1.104 173 F CA 0.747 58.710 58.000 -0.062 0.000 1.232 173 F CB -0.121 38.854 39.000 -0.041 0.000 0.987 173 F HN 0.006 nan 8.300 nan 0.000 0.475 174 R N 0.242 120.792 120.500 0.084 0.000 2.073 174 R HA -0.212 4.119 4.340 -0.015 0.000 0.234 174 R C 2.038 178.337 176.300 -0.001 0.000 1.134 174 R CA 1.715 57.847 56.100 0.053 0.000 0.952 174 R CB -0.584 29.727 30.300 0.019 0.000 0.850 174 R HN 0.349 nan 8.270 nan 0.000 0.433 175 E N 0.196 120.312 120.200 -0.139 0.000 2.118 175 E HA -0.183 4.158 4.350 -0.015 0.000 0.195 175 E C 1.265 177.838 176.600 -0.046 0.000 0.992 175 E CA 1.005 57.314 56.400 -0.152 0.000 0.804 175 E CB 0.005 29.527 29.700 -0.296 0.000 0.741 175 E HN 0.184 nan 8.360 nan 0.000 0.458 176 F N 0.843 120.815 119.950 0.037 0.000 2.583 176 F HA -0.017 4.501 4.527 -0.016 0.000 0.297 176 F C 1.439 177.261 175.800 0.037 0.000 1.131 176 F CA 1.092 59.111 58.000 0.031 0.000 1.467 176 F CB -0.447 38.566 39.000 0.023 0.000 1.097 176 F HN 0.010 nan 8.300 nan 0.000 0.586 177 K N -0.120 120.396 120.400 0.194 0.000 3.209 177 K HA -0.235 4.076 4.320 -0.015 0.000 0.289 177 K C -0.273 176.412 176.600 0.142 0.000 1.191 177 K CA 0.444 56.814 56.287 0.139 0.000 0.851 177 K CB -1.601 30.970 32.500 0.119 0.000 1.242 177 K HN 0.298 nan 8.250 nan 0.000 0.480 178 L N -1.892 119.430 121.223 0.165 0.000 2.472 178 L HA 0.416 4.746 4.340 -0.015 0.000 0.260 178 L C 1.152 178.102 176.870 0.134 0.000 1.209 178 L CA -0.014 54.908 54.840 0.138 0.000 0.817 178 L CB 0.679 42.799 42.059 0.102 0.000 1.106 178 L HN 0.054 nan 8.230 nan 0.000 0.479 179 S N -0.140 115.640 115.700 0.133 0.000 2.700 179 S HA 0.118 4.578 4.470 -0.015 0.000 0.250 179 S C 0.357 175.065 174.600 0.181 0.000 1.355 179 S CA -0.157 58.123 58.200 0.134 0.000 0.970 179 S CB 0.043 63.315 63.200 0.120 0.000 0.975 179 S HN 0.677 nan 8.310 nan 0.000 0.563 180 K N 0.021 120.540 120.400 0.197 0.000 2.604 180 K HA 0.092 4.403 4.320 -0.015 0.000 0.278 180 K C -0.525 176.343 176.600 0.447 0.000 0.975 180 K CA 0.722 57.176 56.287 0.278 0.000 1.066 180 K CB -0.302 32.328 32.500 0.217 0.000 0.840 180 K HN 0.432 nan 8.250 nan 0.000 0.491 181 V N 4.320 124.530 119.914 0.493 0.000 2.752 181 V HA 0.787 4.897 4.120 -0.015 0.000 0.302 181 V C -1.902 174.508 176.094 0.527 0.000 1.133 181 V CA -0.506 62.059 62.300 0.441 0.000 0.919 181 V CB 0.628 32.609 31.823 0.262 0.000 1.026 181 V HN 0.877 nan 8.190 nan 0.000 0.429 182 W N 4.998 126.410 121.300 0.187 0.000 3.335 182 W HA 0.883 5.534 4.660 -0.015 0.000 0.335 182 W C -0.835 175.804 176.519 0.200 0.000 1.164 182 W CA -1.273 56.166 57.345 0.157 0.000 1.010 182 W CB 1.017 30.544 29.460 0.111 0.000 1.524 182 W HN 0.559 nan 8.180 nan 0.000 0.605 183 R N 0.430 121.120 120.500 0.315 0.000 2.832 183 R HA 0.440 4.771 4.340 -0.015 0.000 0.271 183 R C -1.787 174.697 176.300 0.307 0.000 0.996 183 R CA -0.883 55.329 56.100 0.186 0.000 0.977 183 R CB 1.819 32.205 30.300 0.143 0.000 1.168 183 R HN 0.477 nan 8.270 nan 0.000 0.482 184 D N 0.863 121.414 120.400 0.252 0.000 2.473 184 D HA 0.083 4.714 4.640 -0.015 0.000 0.253 184 D C -1.277 175.095 176.300 0.120 0.000 1.233 184 D CA -0.399 53.778 54.000 0.295 0.000 0.908 184 D CB 1.287 42.431 40.800 0.573 0.000 1.170 184 D HN 0.298 nan 8.370 nan 0.000 0.558 185 Q N 2.585 122.368 119.800 -0.028 0.000 2.259 185 Q HA 0.401 4.732 4.340 -0.015 0.000 0.246 185 Q C -0.975 174.820 176.000 -0.342 0.000 0.920 185 Q CA -0.431 55.309 55.803 -0.105 0.000 0.895 185 Q CB 0.767 29.495 28.738 -0.017 0.000 1.220 185 Q HN 0.544 nan 8.270 nan 0.000 0.439 186 H N 2.233 121.282 119.070 -0.035 0.000 3.085 186 H HA 0.274 4.821 4.556 -0.016 0.000 0.356 186 H C -1.612 173.610 175.328 -0.176 0.000 1.178 186 H CA -0.480 55.581 56.048 0.021 0.000 1.214 186 H CB 0.876 30.688 29.762 0.083 0.000 1.881 186 H HN 0.595 nan 8.280 nan 0.000 0.538 187 F N 2.303 122.394 119.950 0.236 0.000 2.366 187 F HA 0.321 4.838 4.527 -0.016 0.000 0.366 187 F C 0.361 176.263 175.800 0.170 0.000 1.096 187 F CA -0.770 57.336 58.000 0.176 0.000 1.060 187 F CB 1.302 40.403 39.000 0.167 0.000 1.282 187 F HN 0.203 nan 8.300 nan 0.000 0.450 188 V N 0.062 120.114 119.914 0.229 0.000 2.815 188 V HA 0.601 4.711 4.120 -0.015 0.000 0.314 188 V C -0.474 175.730 176.094 0.183 0.000 1.064 188 V CA -1.205 61.213 62.300 0.197 0.000 0.952 188 V CB 2.000 33.891 31.823 0.114 0.000 1.020 188 V HN 0.519 nan 8.190 nan 0.000 0.439 189 K N 3.328 123.881 120.400 0.254 0.000 2.284 189 K HA 0.510 4.821 4.320 -0.015 0.000 0.287 189 K C -1.051 175.668 176.600 0.198 0.000 1.081 189 K CA -0.323 56.111 56.287 0.245 0.000 0.910 189 K CB 1.192 33.875 32.500 0.305 0.000 1.088 189 K HN 0.563 nan 8.250 nan 0.000 0.478 190 I N 2.006 122.557 120.570 -0.032 0.000 2.793 190 I HA 0.129 4.290 4.170 -0.015 0.000 0.313 190 I C 0.063 176.074 176.117 -0.178 0.000 0.998 190 I CA -0.460 60.649 61.300 -0.318 0.000 1.140 190 I CB 1.748 39.351 38.000 -0.662 0.000 1.327 190 I HN 0.490 nan 8.210 nan 0.000 0.491 191 Q N 4.156 123.835 119.800 -0.202 0.000 2.312 191 Q HA 0.754 5.084 4.340 -0.015 0.000 0.263 191 Q C -1.629 174.519 176.000 0.246 0.000 0.995 191 Q CA -0.685 55.117 55.803 -0.001 0.000 0.853 191 Q CB 1.802 30.491 28.738 -0.081 0.000 1.300 191 Q HN 0.556 nan 8.270 nan 0.000 0.448 192 V N 0.072 120.049 119.914 0.104 0.000 3.102 192 V HA 0.565 4.676 4.120 -0.015 0.000 0.312 192 V C -0.704 175.222 176.094 -0.280 0.000 1.135 192 V CA -1.319 60.942 62.300 -0.064 0.000 1.022 192 V CB 1.694 33.498 31.823 -0.032 0.000 1.056 192 V HN 0.827 nan 8.190 nan 0.000 0.436 193 K N 1.575 121.630 120.400 -0.575 0.000 2.412 193 K HA 0.147 4.458 4.320 -0.015 0.000 0.284 193 K C -0.257 176.240 176.600 -0.171 0.000 1.046 193 K CA -0.003 56.040 56.287 -0.406 0.000 0.999 193 K CB 0.263 32.508 32.500 -0.424 0.000 0.941 193 K HN 0.976 nan 8.250 nan 0.000 0.474 194 D N 2.002 122.343 120.400 -0.098 0.000 2.362 194 D HA -0.049 4.582 4.640 -0.015 0.000 0.242 194 D C 1.087 177.362 176.300 -0.041 0.000 1.132 194 D CA 0.243 54.213 54.000 -0.051 0.000 0.907 194 D CB 1.073 41.859 40.800 -0.024 0.000 1.195 194 D HN 0.481 nan 8.370 nan 0.000 0.429 195 S N 1.819 117.501 115.700 -0.029 0.000 2.407 195 S HA -0.191 4.270 4.470 -0.015 0.000 0.235 195 S C 1.091 175.683 174.600 -0.013 0.000 1.036 195 S CA 0.618 58.806 58.200 -0.021 0.000 1.013 195 S CB -0.669 62.522 63.200 -0.015 0.000 0.820 195 S HN 0.643 nan 8.310 nan 0.000 0.476 196 A N 2.321 125.135 122.820 -0.010 0.000 2.450 196 A HA 0.386 4.697 4.320 -0.015 0.000 0.255 196 A C 0.424 178.007 177.584 -0.000 0.000 1.096 196 A CA -0.410 51.627 52.037 -0.002 0.000 0.778 196 A CB 0.180 19.181 19.000 0.003 0.000 1.031 196 A HN 0.325 nan 8.150 nan 0.000 0.494 197 Q N 1.852 121.656 119.800 0.007 0.000 2.332 197 Q HA 0.107 4.437 4.340 -0.015 0.000 0.263 197 Q C -0.297 175.715 176.000 0.019 0.000 0.979 197 Q CA 0.191 56.002 55.803 0.013 0.000 0.885 197 Q CB 0.606 29.356 28.738 0.020 0.000 1.218 197 Q HN 0.762 nan 8.270 nan 0.000 0.405 198 N N 0.970 119.684 118.700 0.024 0.000 2.518 198 N HA 0.297 5.028 4.740 -0.015 0.000 0.283 198 N C -0.486 175.044 175.510 0.034 0.000 1.119 198 N CA 0.044 53.113 53.050 0.031 0.000 0.983 198 N CB 1.225 39.736 38.487 0.040 0.000 1.139 198 N HN 0.573 nan 8.380 nan 0.000 0.465 199 S N -1.204 114.515 115.700 0.032 0.000 2.567 199 S HA 0.511 4.972 4.470 -0.015 0.000 0.270 199 S C -0.884 173.732 174.600 0.026 0.000 1.152 199 S CA -0.968 57.251 58.200 0.031 0.000 0.835 199 S CB 1.011 64.233 63.200 0.037 0.000 1.115 199 S HN 0.278 nan 8.310 nan 0.000 0.459 200 V N -0.245 119.680 119.914 0.020 0.000 2.495 200 V HA 0.945 5.056 4.120 -0.015 0.000 0.298 200 V C -0.778 175.325 176.094 0.015 0.000 1.031 200 V CA -0.680 61.626 62.300 0.010 0.000 0.871 200 V CB 0.896 32.712 31.823 -0.012 0.000 0.988 200 V HN 1.100 nan 8.190 nan 0.000 0.432 201 I N 4.694 125.276 120.570 0.020 0.000 2.610 201 I HA 0.587 4.748 4.170 -0.015 0.000 0.289 201 I C -0.610 175.523 176.117 0.026 0.000 1.163 201 I CA -0.835 60.484 61.300 0.032 0.000 1.044 201 I CB 1.833 39.858 38.000 0.043 0.000 1.251 201 I HN 0.719 nan 8.210 nan 0.000 0.424 202 I N 7.742 128.328 120.570 0.027 0.000 2.496 202 I HA 0.496 4.657 4.170 -0.015 0.000 0.285 202 I C -0.190 175.946 176.117 0.032 0.000 1.080 202 I CA -0.359 60.956 61.300 0.024 0.000 1.404 202 I CB 0.984 38.998 38.000 0.022 0.000 1.403 202 I HN 0.525 nan 8.210 nan 0.000 0.539 203 V N 5.725 125.656 119.914 0.029 0.000 3.167 203 V HA 0.329 4.440 4.120 -0.015 0.000 0.293 203 V C -0.932 175.178 176.094 0.027 0.000 1.379 203 V CA -0.663 61.654 62.300 0.028 0.000 1.019 203 V CB 2.115 33.954 31.823 0.027 0.000 1.115 203 V HN 0.838 nan 8.190 nan 0.000 0.442 204 D N 2.626 123.041 120.400 0.025 0.000 2.315 204 D HA 0.240 4.871 4.640 -0.015 0.000 0.275 204 D C 0.763 177.077 176.300 0.023 0.000 1.218 204 D CA -0.167 53.847 54.000 0.024 0.000 1.040 204 D CB 1.073 41.886 40.800 0.022 0.000 1.123 204 D HN 0.719 nan 8.370 nan 0.000 0.541 205 K N -0.521 119.892 120.400 0.022 0.000 2.616 205 K HA -0.047 4.264 4.320 -0.015 0.000 0.192 205 K C -0.260 176.352 176.600 0.019 0.000 1.031 205 K CA 0.306 56.605 56.287 0.021 0.000 1.004 205 K CB -0.413 32.099 32.500 0.019 0.000 0.810 205 K HN 0.316 nan 8.250 nan 0.000 0.497 206 N N -2.834 115.878 118.700 0.019 0.000 3.227 206 N HA 0.176 4.907 4.740 -0.015 0.000 0.241 206 N C -0.722 174.800 175.510 0.019 0.000 1.480 206 N CA -0.496 52.565 53.050 0.018 0.000 0.886 206 N CB 0.151 38.648 38.487 0.016 0.000 1.406 206 N HN -0.091 nan 8.380 nan 0.000 0.514 207 G N 0.117 108.928 108.800 0.018 0.000 2.862 207 G HA2 -0.229 3.722 3.960 -0.015 0.000 0.334 207 G HA3 -0.229 3.722 3.960 -0.015 0.000 0.334 207 G C 1.079 175.992 174.900 0.022 0.000 0.154 207 G CA 0.634 45.745 45.100 0.018 0.000 1.240 207 G HN 0.989 nan 8.290 nan 0.000 0.465 208 R N 3.219 123.734 120.500 0.024 0.000 2.104 208 R HA 0.231 4.562 4.340 -0.015 0.000 0.219 208 R C 1.468 177.786 176.300 0.031 0.000 1.150 208 R CA 1.538 57.656 56.100 0.030 0.000 0.900 208 R CB -1.299 29.022 30.300 0.035 0.000 0.804 208 R HN 1.704 nan 8.270 nan 0.000 0.448 209 L N -2.590 118.651 121.223 0.029 0.000 8.367 209 L HA -0.255 4.076 4.340 -0.015 0.000 0.115 209 L C 1.163 178.057 176.870 0.040 0.000 1.071 209 L CA 1.696 56.552 54.840 0.027 0.000 1.095 209 L CB -1.371 40.704 42.059 0.026 0.000 3.038 209 L HN 0.479 nan 8.230 nan 0.000 1.271 210 V N -0.453 119.486 119.914 0.041 0.000 0.690 210 V HA -0.440 3.670 4.120 -0.015 0.000 0.092 210 V C 0.710 176.853 176.094 0.082 0.000 0.805 210 V CA 2.829 65.168 62.300 0.064 0.000 3.103 210 V CB -1.229 30.645 31.823 0.085 0.000 0.206 210 V HN 1.407 nan 8.190 nan 0.000 0.121 211 Y N -1.633 118.666 120.300 -0.002 0.000 2.593 211 Y HA 0.542 5.082 4.550 -0.015 0.000 0.330 211 Y C 0.825 176.723 175.900 -0.003 0.000 1.223 211 Y CA -0.182 57.917 58.100 -0.003 0.000 1.350 211 Y CB 1.185 39.640 38.460 -0.008 0.000 1.499 211 Y HN 0.560 nan 8.280 nan 0.000 0.554 212 L N 0.583 122.099 121.223 0.489 0.000 2.416 212 L HA 0.118 4.449 4.340 -0.015 0.000 0.216 212 L C 0.813 177.834 176.870 0.253 0.000 1.098 212 L CA 1.190 56.198 54.840 0.279 0.000 0.840 212 L CB -0.182 41.999 42.059 0.205 0.000 0.981 212 L HN 0.842 nan 8.230 nan 0.000 0.462 213 V N -1.824 118.270 119.914 0.300 0.000 0.492 213 V HA -0.330 3.780 4.120 -0.015 0.000 0.092 213 V C 0.377 176.390 176.094 -0.135 0.000 2.354 213 V CA 1.297 63.550 62.300 -0.078 0.000 3.624 213 V CB -1.260 30.544 31.823 -0.031 0.000 0.908 213 V HN 0.647 nan 8.190 nan 0.000 0.952 214 E N -0.788 119.423 120.200 0.019 0.000 2.605 214 E HA 0.154 4.494 4.350 -0.015 0.000 0.289 214 E C -1.624 175.002 176.600 0.044 0.000 1.196 214 E CA -0.076 56.341 56.400 0.028 0.000 0.941 214 E CB 0.517 30.193 29.700 -0.039 0.000 1.124 214 E HN 0.432 nan 8.360 nan 0.000 0.442 215 N N 4.039 122.775 118.700 0.059 0.000 3.091 215 N HA 0.288 5.019 4.740 -0.015 0.000 0.255 215 N C -2.688 172.854 175.510 0.054 0.000 1.204 215 N CA -1.267 51.815 53.050 0.053 0.000 0.990 215 N CB 1.064 39.585 38.487 0.057 0.000 1.260 215 N HN 0.204 nan 8.380 nan 0.000 0.502 216 P HA -0.107 nan 4.420 nan 0.000 0.262 216 P C 1.153 178.506 177.300 0.088 0.000 1.151 216 P CA 0.472 63.601 63.100 0.049 0.000 0.757 216 P CB 0.685 32.399 31.700 0.024 0.000 0.754 217 G N 2.732 111.605 108.800 0.121 0.000 2.464 217 G HA2 0.131 4.082 3.960 -0.015 0.000 0.217 217 G HA3 0.131 4.082 3.960 -0.015 0.000 0.217 217 G C 0.753 175.842 174.900 0.315 0.000 1.138 217 G CA 0.695 45.908 45.100 0.188 0.000 0.793 217 G HN 0.688 nan 8.290 nan 0.000 0.539 218 G N -1.236 107.715 108.800 0.252 0.000 2.938 218 G HA2 0.650 4.600 3.960 -0.015 0.000 0.258 218 G HA3 0.650 4.600 3.960 -0.015 0.000 0.258 218 G C -1.051 173.970 174.900 0.202 0.000 1.356 218 G CA -0.767 44.478 45.100 0.241 0.000 1.052 218 G HN 0.578 nan 8.290 nan 0.000 0.550 219 Y N -3.545 116.630 120.300 -0.208 0.000 2.713 219 Y HA 0.623 5.164 4.550 -0.016 0.000 0.335 219 Y C -1.392 174.336 175.900 -0.286 0.000 1.222 219 Y CA -1.541 56.461 58.100 -0.163 0.000 1.061 219 Y CB 1.372 39.817 38.460 -0.025 0.000 1.314 219 Y HN 0.405 nan 8.280 nan 0.000 0.453 220 V N 2.999 122.698 119.914 -0.357 0.000 2.311 220 V HA 0.661 4.771 4.120 -0.015 0.000 0.275 220 V C 0.707 176.584 176.094 -0.362 0.000 1.022 220 V CA -0.287 61.696 62.300 -0.527 0.000 0.830 220 V CB 0.231 31.905 31.823 -0.247 0.000 1.012 220 V HN 1.015 nan 8.190 nan 0.000 0.452 221 A N 3.774 126.237 122.820 -0.595 0.000 2.504 221 A HA 0.285 4.596 4.320 -0.015 0.000 0.242 221 A C 0.625 178.216 177.584 0.012 0.000 1.100 221 A CA 0.331 52.227 52.037 -0.234 0.000 0.786 221 A CB -0.561 18.252 19.000 -0.311 0.000 1.050 221 A HN 1.080 nan 8.150 nan 0.000 0.512 222 Y N -0.841 119.544 120.300 0.142 0.000 4.317 222 Y HA -0.238 4.303 4.550 -0.015 0.000 0.212 222 Y C 1.312 177.270 175.900 0.097 0.000 1.080 222 Y CA 1.004 59.174 58.100 0.117 0.000 1.735 222 Y CB -1.937 36.566 38.460 0.072 0.000 1.567 222 Y HN 0.689 nan 8.280 nan 0.000 0.619 223 S N 0.763 116.570 115.700 0.178 0.000 2.576 223 S HA 0.284 4.744 4.470 -0.015 0.000 0.276 223 S C 0.291 174.972 174.600 0.136 0.000 1.339 223 S CA -0.791 57.491 58.200 0.138 0.000 1.039 223 S CB 0.775 64.034 63.200 0.099 0.000 0.902 223 S HN 0.279 nan 8.310 nan 0.000 0.516 224 K N 3.170 123.640 120.400 0.116 0.000 2.472 224 K HA 0.254 4.564 4.320 -0.015 0.000 0.280 224 K C -0.225 176.429 176.600 0.089 0.000 1.028 224 K CA 0.505 56.853 56.287 0.102 0.000 1.045 224 K CB 0.007 32.558 32.500 0.085 0.000 0.902 224 K HN 0.594 nan 8.250 nan 0.000 0.478 225 A N 3.871 126.742 122.820 0.085 0.000 2.539 225 A HA 0.582 4.893 4.320 -0.015 0.000 0.306 225 A C -0.270 177.348 177.584 0.057 0.000 1.392 225 A CA 0.338 52.417 52.037 0.070 0.000 1.060 225 A CB -0.679 18.361 19.000 0.066 0.000 1.134 225 A HN 0.954 nan 8.150 nan 0.000 0.542 226 A N 1.551 124.402 122.820 0.053 0.000 2.483 226 A HA 0.885 5.196 4.320 -0.015 0.000 0.306 226 A C -0.411 177.198 177.584 0.042 0.000 1.137 226 A CA 0.129 52.193 52.037 0.045 0.000 0.626 226 A CB 0.706 19.734 19.000 0.046 0.000 1.352 226 A HN 1.514 nan 8.150 nan 0.000 0.508 227 T N -0.205 114.371 114.554 0.038 0.000 3.237 227 T HA 0.621 4.962 4.350 -0.015 0.000 0.319 227 T C -1.346 173.375 174.700 0.034 0.000 1.037 227 T CA 0.258 62.379 62.100 0.035 0.000 1.048 227 T CB 0.470 69.357 68.868 0.031 0.000 1.081 227 T HN 2.211 nan 8.240 nan 0.000 0.455 228 V N 1.496 121.431 119.914 0.035 0.000 3.188 228 V HA 0.996 5.106 4.120 -0.015 0.000 0.305 228 V C -0.523 175.591 176.094 0.034 0.000 1.232 228 V CA -0.724 61.596 62.300 0.034 0.000 1.043 228 V CB 1.591 33.435 31.823 0.036 0.000 1.068 228 V HN 0.934 nan 8.190 nan 0.000 0.439 229 T N 0.184 114.758 114.554 0.032 0.000 2.903 229 T HA 0.958 5.299 4.350 -0.015 0.000 0.299 229 T C -0.173 174.547 174.700 0.033 0.000 1.093 229 T CA 0.495 62.614 62.100 0.032 0.000 1.002 229 T CB 1.388 70.274 68.868 0.029 0.000 1.127 229 T HN 2.381 nan 8.240 nan 0.000 0.488 230 G N 2.159 110.980 108.800 0.036 0.000 2.336 230 G HA2 0.314 4.265 3.960 -0.015 0.000 0.286 230 G HA3 0.314 4.265 3.960 -0.015 0.000 0.286 230 G C -1.506 173.419 174.900 0.042 0.000 1.269 230 G CA -0.904 44.218 45.100 0.037 0.000 0.873 230 G HN 0.825 nan 8.290 nan 0.000 0.494 231 K N -0.678 119.749 120.400 0.045 0.000 2.336 231 K HA 0.386 4.696 4.320 -0.015 0.000 0.262 231 K C -0.890 175.750 176.600 0.066 0.000 0.992 231 K CA -0.102 56.218 56.287 0.054 0.000 0.927 231 K CB 1.076 33.608 32.500 0.053 0.000 0.956 231 K HN 0.347 nan 8.250 nan 0.000 0.495 232 L N 2.294 123.565 121.223 0.081 0.000 2.442 232 L HA 0.215 4.546 4.340 -0.015 0.000 0.261 232 L C -1.033 175.926 176.870 0.147 0.000 1.000 232 L CA -0.567 54.335 54.840 0.103 0.000 0.882 232 L CB 1.333 43.445 42.059 0.088 0.000 1.207 232 L HN 0.322 nan 8.230 nan 0.000 0.443 233 V N 2.826 122.833 119.914 0.155 0.000 2.953 233 V HA 0.274 4.385 4.120 -0.015 0.000 0.304 233 V C -0.406 175.863 176.094 0.291 0.000 1.073 233 V CA -0.555 61.863 62.300 0.196 0.000 1.064 233 V CB 1.293 33.205 31.823 0.148 0.000 1.047 233 V HN 0.786 nan 8.190 nan 0.000 0.478 234 H N 2.301 121.498 119.070 0.211 0.000 2.645 234 H HA 0.626 5.172 4.556 -0.015 0.000 0.257 234 H C -0.074 175.399 175.328 0.240 0.000 1.269 234 H CA -0.403 55.802 56.048 0.261 0.000 1.409 234 H CB 0.446 30.415 29.762 0.343 0.000 1.434 234 H HN 0.777 nan 8.280 nan 0.000 0.505 235 A N 4.656 127.468 122.820 -0.013 0.000 2.666 235 A HA 0.178 4.489 4.320 -0.015 0.000 0.312 235 A C 0.444 177.840 177.584 -0.313 0.000 1.471 235 A CA -0.524 51.464 52.037 -0.083 0.000 1.134 235 A CB -0.962 18.062 19.000 0.040 0.000 1.129 235 A HN 0.922 nan 8.150 nan 0.000 0.539 236 N N 2.112 120.378 118.700 -0.722 0.000 2.098 236 N HA -0.165 4.566 4.740 -0.015 0.000 0.268 236 N C -0.167 175.167 175.510 -0.293 0.000 1.238 236 N CA 0.873 53.329 53.050 -0.991 0.000 0.822 236 N CB -0.621 36.435 38.487 -2.385 0.000 1.063 236 N HN 0.602 nan 8.380 nan 0.000 0.471 237 F N 0.902 120.711 119.950 -0.234 0.000 2.284 237 F HA -0.243 4.275 4.527 -0.015 0.000 0.197 237 F C 1.693 177.433 175.800 -0.100 0.000 1.023 237 F CA 0.024 57.974 58.000 -0.083 0.000 0.858 237 F CB -1.308 37.754 39.000 0.103 0.000 0.933 237 F HN 0.871 nan 8.300 nan 0.000 0.803 238 G N 3.245 112.070 108.800 0.041 0.000 2.379 238 G HA2 -0.217 3.733 3.960 -0.015 0.000 0.281 238 G HA3 -0.217 3.733 3.960 -0.015 0.000 0.281 238 G C 0.935 175.805 174.900 -0.050 0.000 0.855 238 G CA 1.361 46.431 45.100 -0.050 0.000 1.105 238 G HN 1.973 nan 8.290 nan 0.000 0.482 239 T N -3.110 111.453 114.554 0.015 0.000 10.479 239 T HA -0.495 3.846 4.350 -0.015 0.000 0.411 239 T C 1.545 176.161 174.700 -0.139 0.000 1.504 239 T CA 2.579 64.694 62.100 0.024 0.000 2.475 239 T CB -1.679 67.192 68.868 0.005 0.000 2.895 239 T HN 2.070 nan 8.240 nan 0.000 1.096 240 K N 1.549 121.777 120.400 -0.287 0.000 3.445 240 K HA -0.441 3.870 4.320 -0.015 0.000 0.316 240 K C 0.983 177.380 176.600 -0.339 0.000 1.278 240 K CA 2.885 58.869 56.287 -0.506 0.000 0.976 240 K CB -1.257 30.483 32.500 -1.267 0.000 1.238 240 K HN 1.008 nan 8.250 nan 0.000 0.430 241 K N -1.564 118.723 120.400 -0.188 0.000 3.376 241 K HA -0.335 3.976 4.320 -0.015 0.000 0.326 241 K C 0.780 177.335 176.600 -0.075 0.000 0.744 241 K CA 2.240 58.465 56.287 -0.103 0.000 1.436 241 K CB -1.558 30.878 32.500 -0.106 0.000 1.298 241 K HN 0.414 nan 8.250 nan 0.000 0.463 242 D N -0.277 120.031 120.400 -0.153 0.000 2.107 242 D HA 0.021 4.651 4.640 -0.015 0.000 0.204 242 D C 1.680 178.058 176.300 0.130 0.000 0.978 242 D CA 1.714 55.680 54.000 -0.056 0.000 0.852 242 D CB -0.427 40.277 40.800 -0.161 0.000 1.008 242 D HN 0.455 nan 8.370 nan 0.000 0.458 243 F N 0.723 120.656 119.950 -0.030 0.000 2.323 243 F HA -0.139 4.379 4.527 -0.015 0.000 0.301 243 F C 2.185 177.998 175.800 0.022 0.000 1.060 243 F CA 0.325 58.301 58.000 -0.039 0.000 1.398 243 F CB -0.027 38.849 39.000 -0.207 0.000 1.075 243 F HN 0.046 nan 8.300 nan 0.000 0.540 244 E N 0.115 120.425 120.200 0.184 0.000 2.265 244 E HA -0.153 4.188 4.350 -0.015 0.000 0.196 244 E C 0.374 177.054 176.600 0.132 0.000 0.996 244 E CA 0.784 57.261 56.400 0.128 0.000 0.832 244 E CB -0.466 29.276 29.700 0.071 0.000 0.756 244 E HN 0.400 nan 8.360 nan 0.000 0.491 245 D N 1.297 121.788 120.400 0.151 0.000 2.767 245 D HA 0.091 4.721 4.640 -0.015 0.000 0.231 245 D C 0.366 176.767 176.300 0.168 0.000 1.105 245 D CA 0.086 54.167 54.000 0.136 0.000 1.024 245 D CB -0.392 40.483 40.800 0.125 0.000 1.123 245 D HN 0.086 nan 8.370 nan 0.000 0.470 246 L N -2.283 119.042 121.223 0.170 0.000 2.256 246 L HA 0.444 4.774 4.340 -0.015 0.000 0.261 246 L C 1.149 178.120 176.870 0.169 0.000 1.022 246 L CA -0.863 54.096 54.840 0.197 0.000 0.828 246 L CB 0.792 43.005 42.059 0.258 0.000 1.374 246 L HN -0.173 nan 8.230 nan 0.000 0.436 247 Y N 0.800 121.131 120.300 0.051 0.000 2.034 247 Y HA -0.053 4.488 4.550 -0.015 0.000 0.269 247 Y C 1.044 176.969 175.900 0.043 0.000 1.125 247 Y CA 1.921 60.040 58.100 0.032 0.000 1.097 247 Y CB -0.415 38.047 38.460 0.004 0.000 0.978 247 Y HN 0.697 nan 8.280 nan 0.000 0.480 248 T N 4.937 119.480 114.554 -0.018 0.000 2.871 248 T HA 0.095 4.435 4.350 -0.015 0.000 0.296 248 T C -2.326 172.338 174.700 -0.060 0.000 0.998 248 T CA -0.824 61.217 62.100 -0.100 0.000 1.162 248 T CB 0.410 69.325 68.868 0.077 0.000 0.947 248 T HN 0.261 nan 8.240 nan 0.000 0.536 249 P HA 0.221 nan 4.420 nan 0.000 0.278 249 P C 0.606 177.908 177.300 0.004 0.000 1.238 249 P CA -0.545 62.530 63.100 -0.043 0.000 0.794 249 P CB 1.135 32.794 31.700 -0.067 0.000 0.955 250 V N -1.756 118.172 119.914 0.023 0.000 3.542 250 V HA 0.196 4.306 4.120 -0.015 0.000 0.296 250 V C 0.868 176.981 176.094 0.032 0.000 1.364 250 V CA -0.236 62.088 62.300 0.040 0.000 1.118 250 V CB -1.410 30.445 31.823 0.054 0.000 0.972 250 V HN 0.399 nan 8.190 nan 0.000 0.430 251 N N 3.538 122.250 118.700 0.019 0.000 2.374 251 N HA 0.212 4.943 4.740 -0.015 0.000 0.298 251 N C 1.016 176.539 175.510 0.022 0.000 1.273 251 N CA 1.364 54.424 53.050 0.018 0.000 1.093 251 N CB -0.877 37.614 38.487 0.008 0.000 1.486 251 N HN 0.988 nan 8.380 nan 0.000 0.488 252 G N 1.855 110.672 108.800 0.028 0.000 2.545 252 G HA2 -0.082 3.869 3.960 -0.015 0.000 0.279 252 G HA3 -0.082 3.869 3.960 -0.015 0.000 0.279 252 G C -0.694 174.227 174.900 0.035 0.000 1.131 252 G CA 0.049 45.167 45.100 0.030 0.000 1.100 252 G HN 1.219 nan 8.290 nan 0.000 0.525 253 S N -0.922 114.803 115.700 0.042 0.000 2.580 253 S HA 0.654 5.114 4.470 -0.015 0.000 0.281 253 S C -0.193 174.442 174.600 0.059 0.000 1.129 253 S CA -0.963 57.266 58.200 0.049 0.000 0.862 253 S CB 1.323 64.554 63.200 0.051 0.000 1.090 253 S HN 0.940 nan 8.310 nan 0.000 0.451 254 I N 1.658 122.265 120.570 0.062 0.000 2.892 254 I HA 0.321 4.482 4.170 -0.015 0.000 0.287 254 I C -0.293 175.878 176.117 0.090 0.000 1.205 254 I CA -0.294 61.048 61.300 0.070 0.000 1.409 254 I CB 0.590 38.628 38.000 0.063 0.000 1.367 254 I HN 0.492 nan 8.210 nan 0.000 0.597 255 V N 6.263 126.237 119.914 0.100 0.000 2.876 255 V HA 0.500 4.611 4.120 -0.015 0.000 0.312 255 V C -0.150 176.042 176.094 0.164 0.000 1.085 255 V CA -0.629 61.750 62.300 0.132 0.000 0.945 255 V CB 2.230 34.119 31.823 0.109 0.000 1.017 255 V HN 0.436 nan 8.190 nan 0.000 0.428 256 I N 3.575 124.297 120.570 0.254 0.000 2.562 256 I HA 0.816 4.977 4.170 -0.015 0.000 0.301 256 I C -0.628 175.708 176.117 0.364 0.000 1.003 256 I CA -0.946 60.566 61.300 0.353 0.000 1.127 256 I CB 2.035 40.343 38.000 0.513 0.000 1.304 256 I HN 0.547 nan 8.210 nan 0.000 0.446 257 V N 1.980 122.043 119.914 0.249 0.000 3.178 257 V HA 0.607 4.718 4.120 -0.015 0.000 0.302 257 V C -0.865 175.154 176.094 -0.124 0.000 1.262 257 V CA -1.144 61.196 62.300 0.066 0.000 1.030 257 V CB 2.015 33.838 31.823 -0.000 0.000 1.074 257 V HN 0.733 nan 8.190 nan 0.000 0.438 258 R N 1.810 122.220 120.500 -0.150 0.000 2.500 258 R HA 0.811 5.142 4.340 -0.015 0.000 0.277 258 R C 0.126 176.412 176.300 -0.022 0.000 1.026 258 R CA 0.032 55.994 56.100 -0.231 0.000 1.058 258 R CB 1.500 31.755 30.300 -0.075 0.000 1.078 258 R HN 1.152 nan 8.270 nan 0.000 0.509 259 A N 1.392 124.157 122.820 -0.091 0.000 2.350 259 A HA 0.548 4.859 4.320 -0.015 0.000 0.293 259 A C 0.354 177.968 177.584 0.050 0.000 1.231 259 A CA 0.443 52.368 52.037 -0.188 0.000 0.883 259 A CB 0.137 18.924 19.000 -0.355 0.000 1.133 259 A HN 0.884 nan 8.150 nan 0.000 0.533 260 G N 1.424 110.064 108.800 -0.267 0.000 3.218 260 G HA2 0.165 4.116 3.960 -0.015 0.000 0.143 260 G HA3 0.165 4.116 3.960 -0.015 0.000 0.143 260 G C 0.719 175.211 174.900 -0.681 0.000 1.220 260 G CA 0.032 44.756 45.100 -0.626 0.000 1.382 260 G HN 0.465 nan 8.290 nan 0.000 0.682 261 K N 0.117 119.890 120.400 -1.044 0.000 2.163 261 K HA -0.154 4.156 4.320 -0.015 0.000 0.210 261 K C 1.412 177.774 176.600 -0.398 0.000 1.048 261 K CA 2.010 57.931 56.287 -0.610 0.000 0.928 261 K CB -0.564 31.604 32.500 -0.552 0.000 0.716 261 K HN 0.563 nan 8.250 nan 0.000 0.459 262 I N -2.971 117.374 120.570 -0.375 0.000 3.522 262 I HA 0.272 4.433 4.170 -0.015 0.000 0.292 262 I C -0.005 175.973 176.117 -0.231 0.000 1.147 262 I CA -1.217 59.917 61.300 -0.276 0.000 1.032 262 I CB 1.706 39.553 38.000 -0.255 0.000 1.337 262 I HN -0.185 nan 8.210 nan 0.000 0.496 263 T N -1.872 112.577 114.554 -0.175 0.000 2.907 263 T HA 0.430 4.770 4.350 -0.015 0.000 0.284 263 T C 0.598 175.277 174.700 -0.034 0.000 1.004 263 T CA -0.455 61.597 62.100 -0.080 0.000 1.063 263 T CB 1.066 69.871 68.868 -0.105 0.000 0.992 263 T HN 0.462 nan 8.240 nan 0.000 0.483 264 F N 1.670 121.545 119.950 -0.125 0.000 2.063 264 F HA -0.141 4.377 4.527 -0.016 0.000 0.298 264 F C 2.967 178.713 175.800 -0.091 0.000 1.105 264 F CA 2.050 59.994 58.000 -0.094 0.000 1.215 264 F CB -1.443 37.496 39.000 -0.102 0.000 0.972 264 F HN 0.816 nan 8.300 nan 0.000 0.483 265 A N -0.112 122.767 122.820 0.099 0.000 1.896 265 A HA -0.309 4.002 4.320 -0.015 0.000 0.220 265 A C 2.169 179.742 177.584 -0.018 0.000 1.206 265 A CA 2.391 54.430 52.037 0.003 0.000 0.647 265 A CB -1.049 17.877 19.000 -0.124 0.000 0.828 265 A HN 0.530 nan 8.150 nan 0.000 0.455 266 E N -0.456 119.707 120.200 -0.063 0.000 2.047 266 E HA -0.180 4.161 4.350 -0.015 0.000 0.191 266 E C 2.150 178.711 176.600 -0.065 0.000 0.987 266 E CA 1.278 57.631 56.400 -0.079 0.000 0.799 266 E CB -0.200 29.426 29.700 -0.124 0.000 0.752 266 E HN 0.611 nan 8.360 nan 0.000 0.449 267 K N 0.611 120.965 120.400 -0.077 0.000 2.020 267 K HA -0.186 4.125 4.320 -0.015 0.000 0.212 267 K C 2.272 178.859 176.600 -0.021 0.000 1.050 267 K CA 1.712 57.956 56.287 -0.073 0.000 0.929 267 K CB -0.358 32.072 32.500 -0.116 0.000 0.714 267 K HN 0.007 nan 8.250 nan 0.000 0.443 268 V N 1.421 121.343 119.914 0.012 0.000 2.261 268 V HA -0.268 3.842 4.120 -0.015 0.000 0.246 268 V C 2.464 178.575 176.094 0.029 0.000 1.047 268 V CA 1.979 64.302 62.300 0.038 0.000 1.015 268 V CB -0.949 30.914 31.823 0.068 0.000 0.642 268 V HN 0.393 nan 8.190 nan 0.000 0.446 269 A N 1.062 123.893 122.820 0.019 0.000 1.884 269 A HA -0.320 3.991 4.320 -0.015 0.000 0.219 269 A C 2.090 179.681 177.584 0.011 0.000 1.197 269 A CA 2.514 54.561 52.037 0.016 0.000 0.637 269 A CB -0.857 18.144 19.000 0.001 0.000 0.827 269 A HN 0.648 nan 8.150 nan 0.000 0.450 270 N N 0.337 119.035 118.700 -0.004 0.000 2.084 270 N HA -0.131 4.600 4.740 -0.015 0.000 0.190 270 N C 1.996 177.513 175.510 0.013 0.000 1.030 270 N CA 1.645 54.693 53.050 -0.003 0.000 0.849 270 N CB -0.812 37.661 38.487 -0.024 0.000 1.012 270 N HN 0.499 nan 8.380 nan 0.000 0.423 271 A N 1.400 124.231 122.820 0.018 0.000 1.903 271 A HA -0.250 4.061 4.320 -0.015 0.000 0.219 271 A C 2.161 179.766 177.584 0.036 0.000 1.191 271 A CA 2.024 54.081 52.037 0.032 0.000 0.638 271 A CB -0.776 18.248 19.000 0.039 0.000 0.823 271 A HN 0.500 nan 8.150 nan 0.000 0.451 272 E N 0.076 120.297 120.200 0.035 0.000 2.208 272 E HA -0.131 4.209 4.350 -0.015 0.000 0.193 272 E C 2.031 178.651 176.600 0.032 0.000 0.988 272 E CA 1.162 57.584 56.400 0.037 0.000 0.828 272 E CB -0.112 29.613 29.700 0.041 0.000 0.763 272 E HN 0.761 nan 8.360 nan 0.000 0.478 273 S N 0.128 115.845 115.700 0.028 0.000 2.447 273 S HA -0.063 4.398 4.470 -0.015 0.000 0.233 273 S C 1.540 176.156 174.600 0.026 0.000 1.006 273 S CA 0.418 58.634 58.200 0.025 0.000 0.957 273 S CB 0.067 63.279 63.200 0.020 0.000 0.773 273 S HN 0.230 nan 8.310 nan 0.000 0.507 274 L N 1.735 122.975 121.223 0.028 0.000 2.700 274 L HA 0.375 4.705 4.340 -0.015 0.000 0.234 274 L C 0.349 177.236 176.870 0.029 0.000 1.156 274 L CA 0.318 55.175 54.840 0.029 0.000 0.946 274 L CB -2.080 39.998 42.059 0.032 0.000 1.216 274 L HN 0.437 nan 8.230 nan 0.000 0.493 275 N N -0.654 118.064 118.700 0.030 0.000 2.776 275 N HA -0.173 4.558 4.740 -0.015 0.000 0.250 275 N C 0.595 176.125 175.510 0.034 0.000 1.112 275 N CA 0.413 53.481 53.050 0.031 0.000 0.733 275 N CB -0.455 38.048 38.487 0.026 0.000 1.097 275 N HN 0.454 nan 8.380 nan 0.000 0.558 276 A N 0.269 123.112 122.820 0.038 0.000 2.250 276 A HA 0.782 5.093 4.320 -0.015 0.000 0.283 276 A C 0.185 177.796 177.584 0.045 0.000 1.206 276 A CA 0.089 52.152 52.037 0.043 0.000 0.840 276 A CB 0.393 19.423 19.000 0.050 0.000 1.220 276 A HN 0.300 nan 8.150 nan 0.000 0.505 277 I N -3.409 117.190 120.570 0.049 0.000 2.692 277 I HA 0.666 4.827 4.170 -0.015 0.000 0.293 277 I C 0.171 176.320 176.117 0.054 0.000 1.200 277 I CA 0.037 61.366 61.300 0.049 0.000 1.036 277 I CB 0.988 39.015 38.000 0.044 0.000 1.258 277 I HN 1.695 nan 8.210 nan 0.000 0.421 278 G N 2.838 111.671 108.800 0.055 0.000 2.892 278 G HA2 0.239 4.189 3.960 -0.015 0.000 0.686 278 G HA3 0.239 4.189 3.960 -0.015 0.000 0.686 278 G C -1.041 173.898 174.900 0.065 0.000 1.244 278 G CA -0.381 44.754 45.100 0.058 0.000 0.947 278 G HN 1.077 nan 8.290 nan 0.000 0.584 279 V N 3.755 123.710 119.914 0.068 0.000 2.733 279 V HA 0.631 4.742 4.120 -0.015 0.000 0.306 279 V C -0.151 175.991 176.094 0.080 0.000 1.084 279 V CA -1.173 61.173 62.300 0.077 0.000 0.905 279 V CB 1.877 33.743 31.823 0.072 0.000 1.010 279 V HN 0.817 nan 8.190 nan 0.000 0.424 280 L N 5.233 126.515 121.223 0.098 0.000 2.329 280 L HA 0.658 4.989 4.340 -0.015 0.000 0.279 280 L C -0.680 176.271 176.870 0.135 0.000 1.014 280 L CA -0.453 54.449 54.840 0.103 0.000 0.814 280 L CB 1.611 43.731 42.059 0.101 0.000 1.257 280 L HN 0.494 nan 8.230 nan 0.000 0.424 281 I N 4.371 125.019 120.570 0.130 0.000 2.418 281 I HA 0.400 4.561 4.170 -0.015 0.000 0.287 281 I C -0.413 175.915 176.117 0.353 0.000 1.008 281 I CA -0.477 60.908 61.300 0.141 0.000 1.104 281 I CB 1.471 39.530 38.000 0.097 0.000 1.264 281 I HN 0.454 nan 8.210 nan 0.000 0.438 282 Y N 4.478 124.943 120.300 0.275 0.000 2.570 282 Y HA 0.800 5.340 4.550 -0.015 0.000 0.345 282 Y C -0.970 174.976 175.900 0.077 0.000 1.014 282 Y CA -1.761 56.517 58.100 0.296 0.000 1.063 282 Y CB 1.458 40.005 38.460 0.144 0.000 1.272 282 Y HN 0.335 nan 8.280 nan 0.000 0.477 283 M N 4.307 123.954 119.600 0.077 0.000 2.289 283 M HA 0.199 4.670 4.480 -0.015 0.000 0.354 283 M C -0.911 175.552 176.300 0.272 0.000 1.210 283 M CA -0.550 54.542 55.300 -0.345 0.000 1.174 283 M CB -0.123 31.886 32.600 -0.984 0.000 1.297 283 M HN 0.855 nan 8.290 nan 0.000 0.423 284 D N 0.691 121.387 120.400 0.494 0.000 2.319 284 D HA -0.122 4.509 4.640 -0.015 0.000 0.235 284 D C 0.819 177.354 176.300 0.391 0.000 1.304 284 D CA 0.055 54.393 54.000 0.563 0.000 0.894 284 D CB 0.904 42.017 40.800 0.522 0.000 1.183 284 D HN 0.602 nan 8.370 nan 0.000 0.472 285 Q N -0.872 119.093 119.800 0.276 0.000 2.096 285 Q HA -0.149 4.182 4.340 -0.015 0.000 0.197 285 Q C 1.981 178.070 176.000 0.149 0.000 0.964 285 Q CA 1.791 57.710 55.803 0.193 0.000 0.838 285 Q CB -0.212 28.608 28.738 0.136 0.000 0.906 285 Q HN 0.794 nan 8.270 nan 0.000 0.444 286 T N -0.614 114.015 114.554 0.126 0.000 2.674 286 T HA -0.124 4.217 4.350 -0.015 0.000 0.265 286 T C 1.889 176.607 174.700 0.029 0.000 1.039 286 T CA 0.986 63.126 62.100 0.067 0.000 1.150 286 T CB -0.218 68.682 68.868 0.053 0.000 0.864 286 T HN 0.013 nan 8.240 nan 0.000 0.427 287 K N 0.716 121.145 120.400 0.050 0.000 2.097 287 K HA 0.130 4.441 4.320 -0.015 0.000 0.205 287 K C -0.076 176.253 176.600 -0.451 0.000 1.050 287 K CA 0.677 56.878 56.287 -0.144 0.000 0.938 287 K CB -0.255 32.251 32.500 0.010 0.000 0.718 287 K HN 0.516 nan 8.250 nan 0.000 0.442 288 F N 1.149 121.123 119.950 0.039 0.000 2.451 288 F HA 0.292 4.809 4.527 -0.016 0.000 0.367 288 F C -2.120 173.696 175.800 0.027 0.000 1.100 288 F CA -2.446 55.559 58.000 0.008 0.000 1.171 288 F CB 1.503 40.498 39.000 -0.008 0.000 1.405 288 F HN -0.176 nan 8.300 nan 0.000 0.482 289 P HA 0.060 nan 4.420 nan 0.000 0.246 289 P C -0.247 177.119 177.300 0.109 0.000 1.675 289 P CA 0.577 63.723 63.100 0.077 0.000 0.908 289 P CB -0.365 31.342 31.700 0.012 0.000 1.890 290 I N -0.509 120.165 120.570 0.174 0.000 2.342 290 I HA 0.050 4.211 4.170 -0.015 0.000 0.291 290 I C 1.884 178.089 176.117 0.147 0.000 1.010 290 I CA -0.395 61.034 61.300 0.214 0.000 1.308 290 I CB 1.645 39.801 38.000 0.260 0.000 1.400 290 I HN -0.073 nan 8.210 nan 0.000 0.488 291 V N 6.016 126.005 119.914 0.125 0.000 2.282 291 V HA -0.246 3.864 4.120 -0.015 0.000 0.249 291 V C 1.208 177.346 176.094 0.074 0.000 1.057 291 V CA 1.987 64.338 62.300 0.085 0.000 1.032 291 V CB -0.304 31.560 31.823 0.068 0.000 0.645 291 V HN 0.950 nan 8.190 nan 0.000 0.447 292 N N 0.033 118.775 118.700 0.070 0.000 2.470 292 N HA 0.338 5.069 4.740 -0.015 0.000 0.268 292 N C 0.176 175.733 175.510 0.077 0.000 1.136 292 N CA 0.756 53.841 53.050 0.059 0.000 0.961 292 N CB 1.355 39.865 38.487 0.038 0.000 1.067 292 N HN 0.370 nan 8.380 nan 0.000 0.468 293 A N 3.463 126.324 122.820 0.069 0.000 2.390 293 A HA 0.166 4.477 4.320 -0.015 0.000 0.232 293 A C 0.868 178.492 177.584 0.067 0.000 1.233 293 A CA -0.058 52.023 52.037 0.072 0.000 0.907 293 A CB 0.072 19.106 19.000 0.055 0.000 0.967 293 A HN 0.687 nan 8.150 nan 0.000 0.512 294 E N -0.316 119.924 120.200 0.067 0.000 2.444 294 E HA 0.113 4.454 4.350 -0.015 0.000 0.191 294 E C -0.564 176.093 176.600 0.095 0.000 1.041 294 E CA -0.135 56.306 56.400 0.068 0.000 0.883 294 E CB 0.243 29.977 29.700 0.058 0.000 1.024 294 E HN 0.446 nan 8.360 nan 0.000 0.470 295 L N 1.740 123.034 121.223 0.117 0.000 2.326 295 L HA 0.173 4.504 4.340 -0.015 0.000 0.278 295 L C -0.054 176.962 176.870 0.243 0.000 1.092 295 L CA -0.265 54.670 54.840 0.160 0.000 0.810 295 L CB 1.191 43.335 42.059 0.143 0.000 1.153 295 L HN -0.142 nan 8.230 nan 0.000 0.439 296 S N 3.818 119.691 115.700 0.289 0.000 2.532 296 S HA 0.835 5.296 4.470 -0.015 0.000 0.301 296 S C -0.595 174.283 174.600 0.464 0.000 1.083 296 S CA -0.725 57.680 58.200 0.341 0.000 1.025 296 S CB 1.455 64.786 63.200 0.218 0.000 1.056 296 S HN 0.487 nan 8.310 nan 0.000 0.494 297 F N -0.424 119.584 119.950 0.097 0.000 2.598 297 F HA 0.849 5.367 4.527 -0.016 0.000 0.327 297 F C -0.879 174.736 175.800 -0.308 0.000 1.057 297 F CA -2.377 55.632 58.000 0.015 0.000 0.957 297 F CB 0.426 39.446 39.000 0.034 0.000 1.278 297 F HN 0.570 nan 8.300 nan 0.000 0.484 298 F N 1.150 120.701 119.950 -0.666 0.000 2.385 298 F HA 0.811 5.328 4.527 -0.016 0.000 0.336 298 F C 0.059 175.331 175.800 -0.879 0.000 1.100 298 F CA -0.902 56.379 58.000 -1.198 0.000 1.116 298 F CB 1.182 39.160 39.000 -1.703 0.000 1.166 298 F HN 0.815 nan 8.300 nan 0.000 0.511 299 G N 3.327 110.970 108.800 -1.928 0.000 2.735 299 G HA2 0.279 4.229 3.960 -0.015 0.000 0.301 299 G HA3 0.279 4.229 3.960 -0.015 0.000 0.301 299 G C -0.786 172.985 174.900 -1.882 0.000 1.279 299 G CA -0.257 43.686 45.100 -1.929 0.000 1.019 299 G HN 0.759 nan 8.290 nan 0.000 0.497 300 H N -0.525 117.781 119.070 -1.273 0.000 2.570 300 H HA 0.384 4.931 4.556 -0.016 0.000 0.268 300 H C 1.908 177.085 175.328 -0.251 0.000 1.175 300 H CA 1.810 57.457 56.048 -0.669 0.000 1.686 300 H CB 0.638 30.136 29.762 -0.440 0.000 1.456 300 H HN 1.159 nan 8.280 nan 0.000 0.592 301 A N 0.217 123.144 122.820 0.178 0.000 3.526 301 A HA -0.229 4.082 4.320 -0.015 0.000 0.254 301 A C 0.600 178.339 177.584 0.257 0.000 1.109 301 A CA 1.183 53.335 52.037 0.192 0.000 1.395 301 A CB -2.981 16.104 19.000 0.142 0.000 1.057 301 A HN 0.774 nan 8.150 nan 0.000 0.901 302 H N -0.266 118.952 119.070 0.247 0.000 2.723 302 H HA 0.467 5.013 4.556 -0.016 0.000 0.294 302 H C 0.180 175.437 175.328 -0.119 0.000 1.079 302 H CA -0.452 55.602 56.048 0.010 0.000 1.411 302 H CB 0.553 30.296 29.762 -0.032 0.000 1.439 302 H HN 0.454 nan 8.280 nan 0.000 0.474 303 L N 6.725 127.909 121.223 -0.065 0.000 2.650 303 L HA 0.247 4.578 4.340 -0.015 0.000 0.239 303 L C 0.217 176.881 176.870 -0.344 0.000 1.412 303 L CA 0.732 55.467 54.840 -0.175 0.000 1.219 303 L CB -0.813 41.226 42.059 -0.032 0.000 1.534 303 L HN 0.875 nan 8.230 nan 0.000 0.430 304 G N -0.950 107.407 108.800 -0.739 0.000 2.500 304 G HA2 0.380 4.331 3.960 -0.015 0.000 0.299 304 G HA3 0.380 4.331 3.960 -0.015 0.000 0.299 304 G C -1.187 173.471 174.900 -0.404 0.000 1.242 304 G CA -0.021 44.746 45.100 -0.556 0.000 0.859 304 G HN 0.063 nan 8.290 nan 0.000 0.481 305 T N -0.778 113.706 114.554 -0.116 0.000 2.937 305 T HA 0.698 5.039 4.350 -0.015 0.000 0.297 305 T C 0.248 174.982 174.700 0.056 0.000 0.991 305 T CA 1.449 63.589 62.100 0.067 0.000 0.990 305 T CB 0.489 69.505 68.868 0.246 0.000 0.991 305 T HN 2.602 nan 8.240 nan 0.000 0.440 306 G N 3.909 112.792 108.800 0.138 0.000 2.728 306 G HA2 -0.096 3.855 3.960 -0.015 0.000 0.294 306 G HA3 -0.096 3.855 3.960 -0.015 0.000 0.294 306 G C -0.522 174.404 174.900 0.043 0.000 1.342 306 G CA -0.296 44.849 45.100 0.075 0.000 0.866 306 G HN 0.936 nan 8.290 nan 0.000 0.534 307 D N 1.189 121.573 120.400 -0.027 0.000 2.581 307 D HA 0.102 4.733 4.640 -0.015 0.000 0.238 307 D C -0.549 175.560 176.300 -0.319 0.000 1.145 307 D CA -0.180 53.764 54.000 -0.093 0.000 0.866 307 D CB 0.952 41.761 40.800 0.016 0.000 1.151 307 D HN 0.203 nan 8.370 nan 0.000 0.500 308 P HA -0.039 nan 4.420 nan 0.000 0.263 308 P C -0.312 176.407 177.300 -0.969 0.000 1.386 308 P CA 0.468 62.906 63.100 -1.104 0.000 0.797 308 P CB -0.465 30.162 31.700 -1.788 0.000 1.381 309 Y N -1.779 118.471 120.300 -0.083 0.000 2.666 309 Y HA 0.168 4.708 4.550 -0.016 0.000 0.260 309 Y C 1.349 177.294 175.900 0.075 0.000 1.089 309 Y CA -0.200 57.911 58.100 0.019 0.000 1.246 309 Y CB 0.475 38.956 38.460 0.035 0.000 1.353 309 Y HN -0.034 nan 8.280 nan 0.000 0.558 310 T N 0.630 115.123 114.554 -0.103 0.000 3.532 310 T HA 0.287 4.628 4.350 -0.015 0.000 0.241 310 T C -3.055 171.157 174.700 -0.813 0.000 1.238 310 T CA -2.313 59.393 62.100 -0.656 0.000 1.405 310 T CB 0.173 68.793 68.868 -0.413 0.000 0.971 310 T HN -0.152 nan 8.240 nan 0.000 0.640 311 P HA 0.316 nan 4.420 nan 0.000 0.267 311 P C 1.144 178.314 177.300 -0.216 0.000 1.328 311 P CA 0.889 63.802 63.100 -0.312 0.000 0.990 311 P CB 0.206 31.847 31.700 -0.099 0.000 1.168 312 G N 3.812 112.450 108.800 -0.271 0.000 2.317 312 G HA2 -0.250 3.701 3.960 -0.015 0.000 0.227 312 G HA3 -0.250 3.701 3.960 -0.015 0.000 0.227 312 G C -0.173 174.779 174.900 0.086 0.000 1.042 312 G CA 0.084 45.188 45.100 0.008 0.000 0.623 312 G HN 0.572 nan 8.290 nan 0.000 0.509 313 F N 0.553 120.485 119.950 -0.030 0.000 2.508 313 F HA 0.867 5.388 4.527 -0.010 0.000 0.325 313 F C -2.655 173.078 175.800 -0.112 0.000 1.090 313 F CA -3.411 54.552 58.000 -0.062 0.000 0.945 313 F CB 1.155 40.119 39.000 -0.060 0.000 1.156 313 F HN -0.049 nan 8.300 nan 0.000 0.463 314 P HA 0.133 nan 4.420 nan 0.000 0.270 314 P C -0.517 176.566 177.300 -0.363 0.000 1.223 314 P CA -0.170 62.800 63.100 -0.217 0.000 0.785 314 P CB 0.849 32.468 31.700 -0.136 0.000 0.923 315 S N 0.496 116.043 115.700 -0.254 0.000 2.681 315 S HA 0.605 5.065 4.470 -0.015 0.000 0.270 315 S C -0.245 174.158 174.600 -0.329 0.000 1.209 315 S CA -0.062 58.065 58.200 -0.122 0.000 0.988 315 S CB 0.188 63.470 63.200 0.137 0.000 1.006 315 S HN 0.278 nan 8.310 nan 0.000 0.558 316 F N -0.219 119.874 119.950 0.239 0.000 3.336 316 F HA 0.483 5.000 4.527 -0.017 0.000 0.214 316 F C 1.006 176.901 175.800 0.158 0.000 1.614 316 F CA -1.165 56.945 58.000 0.183 0.000 0.939 316 F CB -0.218 38.861 39.000 0.131 0.000 1.865 316 F HN 0.505 nan 8.300 nan 0.000 0.306 317 N N -1.009 117.883 118.700 0.321 0.000 2.495 317 N HA 0.068 4.799 4.740 -0.015 0.000 0.294 317 N C 0.499 176.137 175.510 0.214 0.000 1.276 317 N CA -0.391 52.721 53.050 0.103 0.000 0.973 317 N CB 0.641 39.130 38.487 0.004 0.000 1.143 317 N HN 0.459 nan 8.380 nan 0.000 0.589 318 H N -0.003 119.105 119.070 0.063 0.000 2.476 318 H HA -0.016 4.531 4.556 -0.015 0.000 0.292 318 H C 1.702 177.044 175.328 0.024 0.000 1.019 318 H CA 1.762 57.846 56.048 0.059 0.000 1.330 318 H CB -0.256 29.527 29.762 0.036 0.000 1.451 318 H HN 0.711 nan 8.280 nan 0.000 0.535 319 T N -1.279 113.429 114.554 0.256 0.000 2.778 319 T HA -0.184 4.157 4.350 -0.015 0.000 0.269 319 T C 1.143 175.895 174.700 0.087 0.000 1.050 319 T CA 1.091 63.282 62.100 0.152 0.000 1.137 319 T CB -0.068 68.831 68.868 0.052 0.000 0.860 319 T HN 0.381 nan 8.240 nan 0.000 0.468 320 Q N -0.546 119.297 119.800 0.073 0.000 2.312 320 Q HA 0.442 4.772 4.340 -0.015 0.000 0.263 320 Q C -1.194 174.864 176.000 0.097 0.000 0.995 320 Q CA -1.151 54.666 55.803 0.024 0.000 0.853 320 Q CB 0.628 29.340 28.738 -0.044 0.000 1.300 320 Q HN 0.311 nan 8.270 nan 0.000 0.448 321 F N 4.814 124.677 119.950 -0.145 0.000 2.457 321 F HA -0.139 4.379 4.527 -0.015 0.000 0.290 321 F C -2.259 173.495 175.800 -0.077 0.000 1.058 321 F CA 0.467 58.410 58.000 -0.095 0.000 1.051 321 F CB 0.192 39.145 39.000 -0.077 0.000 1.331 321 F HN 0.535 nan 8.300 nan 0.000 0.814 322 P HA 0.314 nan 4.420 nan 0.000 0.279 322 P C -2.259 174.728 177.300 -0.521 0.000 1.819 322 P CA -0.903 61.888 63.100 -0.515 0.000 1.258 322 P CB 0.404 31.748 31.700 -0.594 0.000 1.656 323 P HA -0.001 nan 4.420 nan 0.000 0.267 323 P C 1.448 178.475 177.300 -0.454 0.000 1.201 323 P CA 0.479 63.328 63.100 -0.417 0.000 0.775 323 P CB 0.584 32.055 31.700 -0.381 0.000 0.854 324 S N 1.147 116.678 115.700 -0.281 0.000 2.325 324 S HA -0.032 4.428 4.470 -0.015 0.000 0.213 324 S C 0.938 175.425 174.600 -0.187 0.000 1.031 324 S CA 1.031 59.089 58.200 -0.237 0.000 0.984 324 S CB -0.116 63.034 63.200 -0.084 0.000 0.939 324 S HN 0.664 nan 8.310 nan 0.000 0.438 325 R N -1.752 118.801 120.500 0.090 0.000 4.217 325 R HA 0.238 4.569 4.340 -0.015 0.000 0.251 325 R C 0.182 176.615 176.300 0.221 0.000 0.929 325 R CA 0.506 56.856 56.100 0.416 0.000 0.710 325 R CB -0.793 29.753 30.300 0.409 0.000 1.905 325 R HN 0.380 nan 8.270 nan 0.000 0.380 326 S N -0.822 114.979 115.700 0.168 0.000 2.981 326 S HA -0.145 4.316 4.470 -0.015 0.000 0.274 326 S C 0.039 174.687 174.600 0.081 0.000 1.297 326 S CA 1.426 59.687 58.200 0.102 0.000 1.266 326 S CB -1.292 61.959 63.200 0.085 0.000 1.542 326 S HN 0.590 nan 8.310 nan 0.000 0.674 327 S N 1.114 116.864 115.700 0.083 0.000 3.456 327 S HA 0.464 4.925 4.470 -0.015 0.000 0.229 327 S C 1.206 175.819 174.600 0.022 0.000 1.416 327 S CA 0.419 58.655 58.200 0.060 0.000 1.197 327 S CB 0.034 63.288 63.200 0.090 0.000 1.201 327 S HN 1.427 nan 8.310 nan 0.000 0.479 328 G N 0.642 109.471 108.800 0.049 0.000 2.135 328 G HA2 -0.174 3.777 3.960 -0.015 0.000 0.183 328 G HA3 -0.174 3.777 3.960 -0.015 0.000 0.183 328 G C -0.418 174.546 174.900 0.107 0.000 1.004 328 G CA -0.723 44.426 45.100 0.083 0.000 0.677 328 G HN 0.458 nan 8.290 nan 0.000 0.512 329 L N -0.543 120.714 121.223 0.057 0.000 2.334 329 L HA 0.633 4.963 4.340 -0.015 0.000 0.273 329 L C -0.380 176.545 176.870 0.092 0.000 1.013 329 L CA -2.007 52.873 54.840 0.068 0.000 0.816 329 L CB 1.269 43.348 42.059 0.033 0.000 1.278 329 L HN -0.111 nan 8.230 nan 0.000 0.431 330 P HA -0.331 nan 4.420 nan 0.000 0.217 330 P C 0.507 177.857 177.300 0.082 0.000 0.937 330 P CA 2.184 65.342 63.100 0.096 0.000 1.028 330 P CB -0.008 31.758 31.700 0.111 0.000 0.735 331 N N -4.910 113.842 118.700 0.087 0.000 2.967 331 N HA -0.125 4.606 4.740 -0.015 0.000 0.241 331 N C -1.193 174.357 175.510 0.067 0.000 0.983 331 N CA 0.581 53.675 53.050 0.075 0.000 0.918 331 N CB -1.274 37.252 38.487 0.065 0.000 1.109 331 N HN 0.032 nan 8.380 nan 0.000 0.567 332 I N 0.805 121.418 120.570 0.072 0.000 2.586 332 I HA 0.367 4.527 4.170 -0.015 0.000 0.288 332 I C -2.330 173.829 176.117 0.071 0.000 1.147 332 I CA -1.868 59.471 61.300 0.065 0.000 1.047 332 I CB 1.813 39.849 38.000 0.061 0.000 1.244 332 I HN -0.096 nan 8.210 nan 0.000 0.429 333 P HA 0.084 nan 4.420 nan 0.000 0.262 333 P C -0.682 176.658 177.300 0.066 0.000 1.182 333 P CA 0.167 63.307 63.100 0.067 0.000 0.761 333 P CB 1.114 32.849 31.700 0.059 0.000 0.795 334 V N 4.119 124.073 119.914 0.067 0.000 2.483 334 V HA 0.380 4.491 4.120 -0.015 0.000 0.297 334 V C -0.087 176.031 176.094 0.041 0.000 1.027 334 V CA -0.387 61.951 62.300 0.064 0.000 0.855 334 V CB 1.577 33.445 31.823 0.076 0.000 0.995 334 V HN 0.493 nan 8.190 nan 0.000 0.424 335 Q N 2.339 122.159 119.800 0.033 0.000 2.323 335 Q HA 0.497 4.828 4.340 -0.015 0.000 0.271 335 Q C -0.509 175.466 176.000 -0.042 0.000 1.048 335 Q CA -0.173 55.629 55.803 -0.002 0.000 0.792 335 Q CB 2.178 30.925 28.738 0.015 0.000 1.280 335 Q HN 0.788 nan 8.270 nan 0.000 0.441 336 T N 3.573 118.031 114.554 -0.161 0.000 2.884 336 T HA 0.591 4.931 4.350 -0.015 0.000 0.298 336 T C -0.598 173.967 174.700 -0.225 0.000 0.998 336 T CA -0.065 61.821 62.100 -0.356 0.000 1.124 336 T CB 0.027 68.372 68.868 -0.872 0.000 0.931 336 T HN 0.488 nan 8.240 nan 0.000 0.531 337 I N 3.298 123.811 120.570 -0.095 0.000 2.608 337 I HA 0.378 4.539 4.170 -0.015 0.000 0.295 337 I C 0.166 176.377 176.117 0.157 0.000 1.049 337 I CA -0.310 61.003 61.300 0.023 0.000 1.063 337 I CB 2.164 40.184 38.000 0.032 0.000 1.248 337 I HN 0.604 nan 8.210 nan 0.000 0.424 338 S N 4.553 120.315 115.700 0.104 0.000 2.576 338 S HA 0.214 4.675 4.470 -0.015 0.000 0.276 338 S C 1.520 176.165 174.600 0.076 0.000 1.339 338 S CA -0.087 58.201 58.200 0.147 0.000 1.039 338 S CB 0.532 63.786 63.200 0.090 0.000 0.902 338 S HN 0.679 nan 8.310 nan 0.000 0.516 339 R N 3.268 123.832 120.500 0.106 0.000 2.119 339 R HA -0.189 4.141 4.340 -0.015 0.000 0.246 339 R C 2.242 178.493 176.300 -0.082 0.000 1.146 339 R CA 2.055 58.168 56.100 0.022 0.000 0.962 339 R CB -0.947 29.407 30.300 0.089 0.000 0.863 339 R HN 0.806 nan 8.270 nan 0.000 0.442 340 A N 0.640 123.435 122.820 -0.042 0.000 1.873 340 A HA -0.219 4.091 4.320 -0.015 0.000 0.218 340 A C 2.428 179.907 177.584 -0.175 0.000 1.193 340 A CA 2.151 54.140 52.037 -0.081 0.000 0.629 340 A CB -1.145 17.828 19.000 -0.045 0.000 0.826 340 A HN 0.597 nan 8.150 nan 0.000 0.447 341 A N -0.407 122.304 122.820 -0.183 0.000 1.908 341 A HA 0.123 4.433 4.320 -0.015 0.000 0.218 341 A C 2.530 179.900 177.584 -0.356 0.000 1.181 341 A CA 2.335 54.219 52.037 -0.255 0.000 0.627 341 A CB -1.091 17.805 19.000 -0.174 0.000 0.818 341 A HN 1.190 nan 8.150 nan 0.000 0.445 342 A N -0.210 122.351 122.820 -0.432 0.000 1.883 342 A HA -0.191 4.120 4.320 -0.015 0.000 0.217 342 A C 1.918 178.962 177.584 -0.901 0.000 1.186 342 A CA 1.761 53.283 52.037 -0.858 0.000 0.624 342 A CB -0.522 17.801 19.000 -1.130 0.000 0.822 342 A HN 0.515 nan 8.150 nan 0.000 0.444 343 E N 0.292 120.235 120.200 -0.428 0.000 2.048 343 E HA -0.267 4.074 4.350 -0.015 0.000 0.202 343 E C 1.955 178.448 176.600 -0.178 0.000 1.021 343 E CA 1.916 58.218 56.400 -0.164 0.000 0.825 343 E CB -0.476 29.171 29.700 -0.089 0.000 0.756 343 E HN 0.667 nan 8.360 nan 0.000 0.454 344 K N 0.397 120.657 120.400 -0.232 0.000 2.063 344 K HA -0.125 4.186 4.320 -0.015 0.000 0.208 344 K C 2.244 178.731 176.600 -0.188 0.000 1.048 344 K CA 0.848 57.017 56.287 -0.197 0.000 0.928 344 K CB -0.186 32.141 32.500 -0.288 0.000 0.713 344 K HN 0.019 nan 8.250 nan 0.000 0.442 345 L N 0.081 121.113 121.223 -0.319 0.000 1.989 345 L HA -0.187 4.143 4.340 -0.015 0.000 0.211 345 L C 2.234 179.020 176.870 -0.139 0.000 1.071 345 L CA 1.909 56.579 54.840 -0.283 0.000 0.749 345 L CB -1.122 40.663 42.059 -0.457 0.000 0.890 345 L HN 0.237 nan 8.230 nan 0.000 0.431 346 F N -0.079 119.798 119.950 -0.121 0.000 2.202 346 F HA -0.188 4.329 4.527 -0.016 0.000 0.301 346 F C 2.482 178.246 175.800 -0.060 0.000 1.082 346 F CA 0.523 58.463 58.000 -0.100 0.000 1.313 346 F CB -0.745 38.171 39.000 -0.139 0.000 1.024 346 F HN 0.217 nan 8.300 nan 0.000 0.495 347 G N -0.058 108.806 108.800 0.106 0.000 2.462 347 G HA2 -0.259 3.692 3.960 -0.015 0.000 0.220 347 G HA3 -0.259 3.692 3.960 -0.015 0.000 0.220 347 G C 0.827 175.756 174.900 0.049 0.000 1.121 347 G CA 0.681 45.816 45.100 0.058 0.000 0.758 347 G HN 0.420 nan 8.290 nan 0.000 0.559 348 N N 0.183 118.908 118.700 0.042 0.000 2.546 348 N HA 0.359 5.090 4.740 -0.015 0.000 0.286 348 N C -0.694 174.851 175.510 0.059 0.000 1.259 348 N CA -0.129 52.946 53.050 0.041 0.000 0.939 348 N CB 0.374 38.875 38.487 0.024 0.000 1.243 348 N HN 0.243 nan 8.380 nan 0.000 0.511 349 M N -0.160 119.488 119.600 0.079 0.000 2.326 349 M HA 0.193 4.664 4.480 -0.015 0.000 0.292 349 M C 0.799 177.139 176.300 0.067 0.000 1.081 349 M CA -0.470 54.885 55.300 0.091 0.000 0.919 349 M CB 3.045 35.734 32.600 0.148 0.000 1.634 349 M HN 0.001 nan 8.290 nan 0.000 0.451 350 E N 2.273 122.508 120.200 0.058 0.000 2.033 350 E HA 0.064 4.405 4.350 -0.015 0.000 0.189 350 E C 1.013 177.632 176.600 0.032 0.000 0.979 350 E CA 0.666 57.091 56.400 0.040 0.000 0.802 350 E CB 0.171 29.895 29.700 0.040 0.000 0.763 350 E HN 0.919 nan 8.360 nan 0.000 0.449 351 G N 0.596 109.423 108.800 0.045 0.000 2.825 351 G HA2 -0.086 3.865 3.960 -0.015 0.000 0.241 351 G HA3 -0.086 3.865 3.960 -0.015 0.000 0.241 351 G C -0.657 174.242 174.900 -0.002 0.000 1.239 351 G CA 0.141 45.260 45.100 0.031 0.000 0.859 351 G HN 0.293 nan 8.290 nan 0.000 0.598 352 D N -1.443 118.936 120.400 -0.036 0.000 2.629 352 D HA 0.287 4.918 4.640 -0.015 0.000 0.250 352 D C -0.201 176.029 176.300 -0.116 0.000 1.126 352 D CA -0.570 53.385 54.000 -0.075 0.000 0.852 352 D CB 1.236 41.988 40.800 -0.080 0.000 1.335 352 D HN 0.400 nan 8.370 nan 0.000 0.518 353 c N 5.066 123.590 118.600 -0.128 0.000 2.590 353 c HA 0.233 4.793 4.570 -0.015 0.000 0.411 353 c C -1.768 172.162 174.090 -0.267 0.000 1.420 353 c CA -0.710 55.524 56.329 -0.158 0.000 1.643 353 c CB -0.569 41.882 42.510 -0.097 0.000 2.528 353 c HN 0.555 nan 8.230 nan 0.000 0.606 354 P HA 0.137 nan 4.420 nan 0.000 0.274 354 P C 0.339 177.404 177.300 -0.390 0.000 1.246 354 P CA 0.020 62.779 63.100 -0.570 0.000 0.795 354 P CB 0.607 31.697 31.700 -1.018 0.000 1.006 355 S N -0.348 115.187 115.700 -0.275 0.000 2.501 355 S HA -0.094 4.367 4.470 -0.015 0.000 0.220 355 S C 1.529 176.068 174.600 -0.101 0.000 0.997 355 S CA 0.495 58.610 58.200 -0.142 0.000 0.919 355 S CB -0.739 62.396 63.200 -0.109 0.000 0.778 355 S HN 0.448 nan 8.310 nan 0.000 0.523 356 D N 0.785 121.073 120.400 -0.187 0.000 2.116 356 D HA -0.140 4.491 4.640 -0.015 0.000 0.193 356 D C -0.048 176.363 176.300 0.186 0.000 0.998 356 D CA 0.705 54.670 54.000 -0.059 0.000 0.836 356 D CB -0.142 40.533 40.800 -0.208 0.000 0.951 356 D HN 0.568 nan 8.370 nan 0.000 0.449 357 W N 1.722 122.891 121.300 -0.219 0.000 2.591 357 W HA 0.063 4.714 4.660 -0.015 0.000 0.330 357 W C 0.632 177.034 176.519 -0.194 0.000 1.435 357 W CA -1.058 56.119 57.345 -0.279 0.000 1.350 357 W CB 0.168 29.457 29.460 -0.285 0.000 1.434 357 W HN -0.176 nan 8.180 nan 0.000 0.553 358 K N 3.325 123.758 120.400 0.056 0.000 2.360 358 K HA 0.058 4.368 4.320 -0.015 0.000 0.225 358 K C 0.372 176.967 176.600 -0.007 0.000 1.246 358 K CA 0.266 56.568 56.287 0.026 0.000 1.198 358 K CB -0.204 32.319 32.500 0.040 0.000 1.348 358 K HN 0.325 nan 8.250 nan 0.000 0.232 359 T N -0.836 113.727 114.554 0.016 0.000 2.572 359 T HA 0.332 4.672 4.350 -0.015 0.000 0.244 359 T C -0.898 173.817 174.700 0.025 0.000 0.860 359 T CA -0.724 61.385 62.100 0.015 0.000 1.125 359 T CB 1.055 69.948 68.868 0.041 0.000 1.491 359 T HN 0.165 nan 8.240 nan 0.000 0.532 360 D N -0.057 120.362 120.400 0.031 0.000 2.661 360 D HA 0.466 5.096 4.640 -0.015 0.000 0.228 360 D C -0.275 176.025 176.300 0.001 0.000 1.210 360 D CA -0.266 53.743 54.000 0.015 0.000 0.826 360 D CB 1.832 42.647 40.800 0.024 0.000 1.542 360 D HN 0.615 nan 8.370 nan 0.000 0.447 361 S N 0.557 116.246 115.700 -0.019 0.000 2.545 361 S HA 0.057 4.517 4.470 -0.015 0.000 0.268 361 S C 0.655 175.225 174.600 -0.051 0.000 1.369 361 S CA 1.236 59.412 58.200 -0.041 0.000 1.001 361 S CB 0.206 63.388 63.200 -0.030 0.000 0.838 361 S HN 0.774 nan 8.310 nan 0.000 0.520 362 T N -1.889 112.617 114.554 -0.079 0.000 8.460 362 T HA -0.212 4.129 4.350 -0.015 0.000 0.312 362 T C 0.629 175.185 174.700 -0.241 0.000 2.053 362 T CA 0.706 62.756 62.100 -0.083 0.000 3.457 362 T CB -2.485 66.377 68.868 -0.011 0.000 1.500 362 T HN 1.711 nan 8.240 nan 0.000 0.559 363 c N 4.552 122.850 118.600 -0.505 0.000 2.520 363 c HA 0.898 5.459 4.570 -0.015 0.000 0.376 363 c C 1.072 174.798 174.090 -0.606 0.000 1.268 363 c CA -1.050 54.552 56.329 -1.212 0.000 2.414 363 c CB 0.578 42.124 42.510 -1.605 0.000 2.521 363 c HN 0.515 nan 8.230 nan 0.000 0.618 364 R N 1.405 121.574 120.500 -0.552 0.000 2.917 364 R HA 0.557 4.888 4.340 -0.015 0.000 0.220 364 R C 0.209 176.523 176.300 0.024 0.000 1.485 364 R CA -0.806 55.219 56.100 -0.126 0.000 1.037 364 R CB 0.157 30.473 30.300 0.027 0.000 1.929 364 R HN 0.699 nan 8.270 nan 0.000 0.526 365 M N -0.736 118.930 119.600 0.111 0.000 2.532 365 M HA 0.255 4.726 4.480 -0.015 0.000 0.244 365 M C -0.556 175.872 176.300 0.214 0.000 1.390 365 M CA 0.534 55.954 55.300 0.200 0.000 1.132 365 M CB 1.058 33.732 32.600 0.124 0.000 1.466 365 M HN 0.184 nan 8.290 nan 0.000 0.550 366 V N -0.026 119.983 119.914 0.159 0.000 2.971 366 V HA 0.459 4.570 4.120 -0.015 0.000 0.309 366 V C -0.226 175.941 176.094 0.122 0.000 1.130 366 V CA -1.225 61.161 62.300 0.144 0.000 0.964 366 V CB 1.827 33.719 31.823 0.116 0.000 1.029 366 V HN 0.411 nan 8.190 nan 0.000 0.427 367 T N 0.418 115.039 114.554 0.111 0.000 2.900 367 T HA 0.249 4.590 4.350 -0.015 0.000 0.307 367 T C 0.433 175.175 174.700 0.070 0.000 1.065 367 T CA -0.078 62.075 62.100 0.088 0.000 1.105 367 T CB 0.636 69.546 68.868 0.071 0.000 0.979 367 T HN 1.065 nan 8.240 nan 0.000 0.544 368 S N 1.756 117.491 115.700 0.058 0.000 2.509 368 S HA 0.063 4.523 4.470 -0.015 0.000 0.287 368 S C 1.225 175.851 174.600 0.043 0.000 1.248 368 S CA -0.692 57.536 58.200 0.048 0.000 1.089 368 S CB 0.804 64.028 63.200 0.040 0.000 0.900 368 S HN 0.835 nan 8.310 nan 0.000 0.496 369 E N 3.714 123.939 120.200 0.042 0.000 2.172 369 E HA -0.342 3.999 4.350 -0.015 0.000 0.213 369 E C 2.043 178.663 176.600 0.033 0.000 1.051 369 E CA 2.319 58.742 56.400 0.038 0.000 0.860 369 E CB -0.816 28.905 29.700 0.035 0.000 0.755 369 E HN 0.967 nan 8.360 nan 0.000 0.462 370 S N 0.237 115.955 115.700 0.030 0.000 2.421 370 S HA -0.266 4.195 4.470 -0.015 0.000 0.239 370 S C 0.700 175.316 174.600 0.028 0.000 1.054 370 S CA 1.847 60.063 58.200 0.027 0.000 1.035 370 S CB -0.385 62.830 63.200 0.026 0.000 0.840 370 S HN 0.327 nan 8.310 nan 0.000 0.475 371 K N 0.128 120.546 120.400 0.031 0.000 2.607 371 K HA 0.631 4.941 4.320 -0.015 0.000 0.287 371 K C -1.171 175.450 176.600 0.034 0.000 0.996 371 K CA -0.671 55.634 56.287 0.030 0.000 0.876 371 K CB 0.336 32.853 32.500 0.029 0.000 1.496 371 K HN 0.362 nan 8.250 nan 0.000 0.415 372 N N -1.125 117.594 118.700 0.032 0.000 3.002 372 N HA 0.728 5.458 4.740 -0.015 0.000 0.331 372 N C -1.349 174.179 175.510 0.030 0.000 1.384 372 N CA -0.978 52.092 53.050 0.034 0.000 0.780 372 N CB 1.359 39.867 38.487 0.035 0.000 1.492 372 N HN 0.455 nan 8.380 nan 0.000 0.608 373 V N -1.501 118.432 119.914 0.031 0.000 2.914 373 V HA 0.581 4.692 4.120 -0.015 0.000 0.314 373 V C -1.268 174.843 176.094 0.028 0.000 1.084 373 V CA -0.855 61.460 62.300 0.025 0.000 0.963 373 V CB 1.710 33.544 31.823 0.017 0.000 1.025 373 V HN 0.816 nan 8.190 nan 0.000 0.432 374 K N 4.649 125.064 120.400 0.026 0.000 2.376 374 K HA 0.616 4.927 4.320 -0.015 0.000 0.257 374 K C -1.685 174.931 176.600 0.027 0.000 0.939 374 K CA -0.726 55.578 56.287 0.028 0.000 0.809 374 K CB 1.693 34.209 32.500 0.028 0.000 1.121 374 K HN 0.617 nan 8.250 nan 0.000 0.425 375 L N 3.556 124.797 121.223 0.031 0.000 2.282 375 L HA 0.462 4.793 4.340 -0.015 0.000 0.288 375 L C -0.898 175.992 176.870 0.034 0.000 1.033 375 L CA 0.332 55.191 54.840 0.032 0.000 0.807 375 L CB 1.751 43.832 42.059 0.037 0.000 1.209 375 L HN 0.658 nan 8.230 nan 0.000 0.423 376 T N 5.663 120.237 114.554 0.033 0.000 2.930 376 T HA 0.583 4.924 4.350 -0.015 0.000 0.313 376 T C -1.242 173.480 174.700 0.036 0.000 1.019 376 T CA -0.409 61.711 62.100 0.034 0.000 1.004 376 T CB 0.253 69.139 68.868 0.030 0.000 0.987 376 T HN 0.616 nan 8.240 nan 0.000 0.456 377 V N 3.340 123.279 119.914 0.042 0.000 2.378 377 V HA 0.858 4.968 4.120 -0.015 0.000 0.288 377 V C -0.008 176.114 176.094 0.045 0.000 1.016 377 V CA -0.825 61.503 62.300 0.048 0.000 0.840 377 V CB 1.284 33.144 31.823 0.062 0.000 0.994 377 V HN 0.877 nan 8.190 nan 0.000 0.431 378 S N 3.903 119.624 115.700 0.035 0.000 2.516 378 S HA 0.581 5.041 4.470 -0.015 0.000 0.268 378 S C -0.493 174.117 174.600 0.016 0.000 1.251 378 S CA -0.700 57.515 58.200 0.026 0.000 1.153 378 S CB 0.012 63.222 63.200 0.017 0.000 1.009 378 S HN 0.789 nan 8.310 nan 0.000 0.479 379 N N 1.483 120.203 118.700 0.033 0.000 2.362 379 N HA 0.693 5.424 4.740 -0.015 0.000 0.299 379 N C -0.709 174.820 175.510 0.031 0.000 1.170 379 N CA -0.546 52.518 53.050 0.023 0.000 0.825 379 N CB 2.201 40.739 38.487 0.084 0.000 1.299 379 N HN 0.623 nan 8.380 nan 0.000 0.502 380 V N -1.357 118.567 119.914 0.016 0.000 2.876 380 V HA 0.595 4.706 4.120 -0.015 0.000 0.312 380 V C -0.063 176.052 176.094 0.035 0.000 1.085 380 V CA -1.038 61.278 62.300 0.026 0.000 0.945 380 V CB 1.552 33.381 31.823 0.009 0.000 1.017 380 V HN 0.420 nan 8.190 nan 0.000 0.428 381 L N 2.489 123.741 121.223 0.049 0.000 2.436 381 L HA 0.557 4.888 4.340 -0.015 0.000 0.265 381 L C 0.257 177.157 176.870 0.049 0.000 1.168 381 L CA -0.143 54.733 54.840 0.060 0.000 0.815 381 L CB 0.948 43.055 42.059 0.081 0.000 1.109 381 L HN 0.869 nan 8.230 nan 0.000 0.462 382 K N 2.968 123.395 120.400 0.046 0.000 2.716 382 K HA 0.151 4.462 4.320 -0.015 0.000 0.249 382 K C -0.809 175.826 176.600 0.058 0.000 1.004 382 K CA -0.534 55.778 56.287 0.041 0.000 0.968 382 K CB 1.293 33.802 32.500 0.015 0.000 1.214 382 K HN 0.608 nan 8.250 nan 0.000 0.476 383 E N 5.970 126.237 120.200 0.111 0.000 2.415 383 E HA 0.045 4.386 4.350 -0.015 0.000 0.260 383 E C -0.174 176.509 176.600 0.137 0.000 1.016 383 E CA -0.041 56.457 56.400 0.165 0.000 0.924 383 E CB 0.374 30.218 29.700 0.240 0.000 0.961 383 E HN 0.548 nan 8.360 nan 0.000 0.459 384 I N 0.693 121.322 120.570 0.099 0.000 3.067 384 I HA 0.521 4.682 4.170 -0.015 0.000 0.312 384 I C -0.727 175.360 176.117 -0.051 0.000 1.073 384 I CA -1.275 60.044 61.300 0.032 0.000 1.016 384 I CB 1.898 39.877 38.000 -0.034 0.000 1.227 384 I HN 0.257 nan 8.210 nan 0.000 0.456 385 K N 3.467 123.761 120.400 -0.177 0.000 2.404 385 K HA 0.551 4.862 4.320 -0.015 0.000 0.257 385 K C -0.918 175.540 176.600 -0.237 0.000 1.026 385 K CA -0.577 55.423 56.287 -0.478 0.000 0.951 385 K CB 0.879 33.019 32.500 -0.600 0.000 1.203 385 K HN 0.575 nan 8.250 nan 0.000 0.446 386 I N 3.808 124.291 120.570 -0.145 0.000 2.696 386 I HA 0.089 4.250 4.170 -0.015 0.000 0.284 386 I C -0.167 175.963 176.117 0.022 0.000 1.129 386 I CA -0.549 60.750 61.300 -0.002 0.000 1.410 386 I CB 0.593 38.651 38.000 0.097 0.000 1.399 386 I HN 0.388 nan 8.210 nan 0.000 0.579 387 L N 6.670 127.920 121.223 0.045 0.000 2.442 387 L HA 0.401 4.731 4.340 -0.015 0.000 0.261 387 L C -0.688 176.205 176.870 0.038 0.000 1.000 387 L CA -0.212 54.652 54.840 0.040 0.000 0.882 387 L CB 0.451 42.508 42.059 -0.004 0.000 1.207 387 L HN 0.462 nan 8.230 nan 0.000 0.443 388 N N 5.426 124.187 118.700 0.102 0.000 2.488 388 N HA 0.383 5.114 4.740 -0.015 0.000 0.274 388 N C -0.717 174.688 175.510 -0.176 0.000 1.111 388 N CA -0.248 52.778 53.050 -0.041 0.000 0.974 388 N CB 1.882 40.452 38.487 0.138 0.000 1.089 388 N HN 0.344 nan 8.380 nan 0.000 0.465 389 I N 3.353 123.665 120.570 -0.430 0.000 2.362 389 I HA 0.348 4.508 4.170 -0.015 0.000 0.289 389 I C 0.192 175.938 176.117 -0.618 0.000 0.994 389 I CA -0.451 60.626 61.300 -0.372 0.000 1.158 389 I CB 0.134 37.961 38.000 -0.288 0.000 1.315 389 I HN 0.285 nan 8.210 nan 0.000 0.451 390 F N 2.887 122.427 119.950 -0.684 0.000 2.476 390 F HA 0.838 5.356 4.527 -0.015 0.000 0.358 390 F C 0.939 176.373 175.800 -0.611 0.000 1.091 390 F CA -0.510 56.931 58.000 -0.933 0.000 1.131 390 F CB 1.141 38.937 39.000 -2.007 0.000 1.653 390 F HN 0.476 nan 8.300 nan 0.000 0.518 391 G N 0.250 108.788 108.800 -0.435 0.000 2.026 391 G HA2 0.459 4.410 3.960 -0.015 0.000 0.208 391 G HA3 0.459 4.410 3.960 -0.015 0.000 0.208 391 G C -1.850 173.080 174.900 0.051 0.000 1.640 391 G CA -0.405 44.592 45.100 -0.171 0.000 0.946 391 G HN 0.853 nan 8.290 nan 0.000 0.709 392 V N 0.378 120.468 119.914 0.293 0.000 3.177 392 V HA 0.918 5.028 4.120 -0.015 0.000 0.319 392 V C 0.095 176.347 176.094 0.263 0.000 1.125 392 V CA -1.472 61.028 62.300 0.332 0.000 1.029 392 V CB 2.108 34.229 31.823 0.497 0.000 1.119 392 V HN 0.756 nan 8.190 nan 0.000 0.452 393 I N 1.255 121.959 120.570 0.224 0.000 2.623 393 I HA 0.364 4.524 4.170 -0.015 0.000 0.275 393 I C -0.270 175.907 176.117 0.099 0.000 1.108 393 I CA -0.764 60.638 61.300 0.170 0.000 1.120 393 I CB 1.251 39.371 38.000 0.200 0.000 1.249 393 I HN 0.665 nan 8.210 nan 0.000 0.500 394 K N 3.176 123.620 120.400 0.073 0.000 2.569 394 K HA 0.053 4.363 4.320 -0.015 0.000 0.280 394 K C 0.651 177.230 176.600 -0.035 0.000 0.984 394 K CA 0.544 56.822 56.287 -0.015 0.000 1.064 394 K CB 0.394 32.862 32.500 -0.053 0.000 0.866 394 K HN 0.649 nan 8.250 nan 0.000 0.492 395 G N 1.594 110.362 108.800 -0.053 0.000 2.563 395 G HA2 0.285 4.236 3.960 -0.015 0.000 0.283 395 G HA3 0.285 4.236 3.960 -0.015 0.000 0.283 395 G C -0.113 174.853 174.900 0.110 0.000 1.309 395 G CA -0.485 44.670 45.100 0.091 0.000 1.022 395 G HN 0.547 nan 8.290 nan 0.000 0.501 396 F N -1.759 118.150 119.950 -0.069 0.000 2.727 396 F HA 0.248 4.765 4.527 -0.015 0.000 0.302 396 F C 1.879 177.657 175.800 -0.036 0.000 1.107 396 F CA -0.023 57.950 58.000 -0.046 0.000 1.277 396 F CB 0.685 39.662 39.000 -0.038 0.000 1.079 396 F HN 0.170 nan 8.300 nan 0.000 0.594 397 V N -1.670 118.327 119.914 0.138 0.000 3.251 397 V HA 0.138 4.248 4.120 -0.015 0.000 0.239 397 V C 0.438 176.529 176.094 -0.005 0.000 1.332 397 V CA 0.258 62.595 62.300 0.061 0.000 1.224 397 V CB 0.562 32.423 31.823 0.062 0.000 1.004 397 V HN 0.006 nan 8.190 nan 0.000 0.464 398 E N 0.373 120.561 120.200 -0.019 0.000 3.582 398 E HA 0.210 4.551 4.350 -0.015 0.000 0.217 398 E C -2.083 174.443 176.600 -0.123 0.000 1.092 398 E CA -1.422 54.914 56.400 -0.106 0.000 1.365 398 E CB 1.093 30.748 29.700 -0.074 0.000 1.278 398 E HN 0.397 nan 8.360 nan 0.000 0.439 399 P HA -0.200 nan 4.420 nan 0.000 0.219 399 P C 0.317 177.452 177.300 -0.275 0.000 1.145 399 P CA 1.259 64.260 63.100 -0.165 0.000 0.813 399 P CB 0.182 31.815 31.700 -0.112 0.000 0.771 400 D N -2.803 117.483 120.400 -0.190 0.000 2.388 400 D HA 0.057 4.688 4.640 -0.015 0.000 0.221 400 D C 0.031 176.409 176.300 0.131 0.000 1.133 400 D CA 0.193 54.171 54.000 -0.037 0.000 0.831 400 D CB -0.238 40.582 40.800 0.033 0.000 0.962 400 D HN 0.372 nan 8.370 nan 0.000 0.502 401 H N 0.001 119.021 119.070 -0.084 0.000 2.708 401 H HA 0.221 4.768 4.556 -0.016 0.000 0.320 401 H C -0.591 174.781 175.328 0.074 0.000 0.991 401 H CA -0.619 55.540 56.048 0.184 0.000 1.243 401 H CB 0.816 30.730 29.762 0.252 0.000 1.446 401 H HN -0.110 nan 8.280 nan 0.000 0.502 402 Y N 1.373 121.803 120.300 0.216 0.000 2.519 402 Y HA 0.357 4.898 4.550 -0.015 0.000 0.324 402 Y C 0.196 175.803 175.900 -0.488 0.000 1.214 402 Y CA -1.056 57.031 58.100 -0.023 0.000 1.260 402 Y CB 1.201 39.690 38.460 0.050 0.000 1.311 402 Y HN 0.246 nan 8.280 nan 0.000 0.505 403 V N 2.229 121.976 119.914 -0.278 0.000 2.320 403 V HA 0.203 4.314 4.120 -0.015 0.000 0.268 403 V C -0.687 175.282 176.094 -0.209 0.000 1.021 403 V CA -0.956 61.060 62.300 -0.474 0.000 0.813 403 V CB 0.511 32.079 31.823 -0.424 0.000 1.054 403 V HN 0.532 nan 8.190 nan 0.000 0.444 404 V N 4.716 124.618 119.914 -0.020 0.000 2.493 404 V HA 0.087 4.197 4.120 -0.015 0.000 0.292 404 V C 0.347 176.391 176.094 -0.084 0.000 1.016 404 V CA 0.220 62.590 62.300 0.117 0.000 1.097 404 V CB 1.142 33.265 31.823 0.501 0.000 0.947 404 V HN 0.561 nan 8.190 nan 0.000 0.479 405 V N 5.661 125.452 119.914 -0.205 0.000 2.304 405 V HA 0.638 4.749 4.120 -0.015 0.000 0.278 405 V C 0.742 176.742 176.094 -0.156 0.000 1.018 405 V CA -0.102 62.020 62.300 -0.296 0.000 0.814 405 V CB 1.090 32.700 31.823 -0.354 0.000 1.021 405 V HN 0.957 nan 8.190 nan 0.000 0.440 406 G N 3.067 111.801 108.800 -0.110 0.000 2.521 406 G HA2 0.853 4.804 3.960 -0.015 0.000 0.323 406 G HA3 0.853 4.804 3.960 -0.015 0.000 0.323 406 G C -0.642 174.303 174.900 0.075 0.000 1.211 406 G CA -0.334 44.871 45.100 0.175 0.000 0.979 406 G HN 1.244 nan 8.290 nan 0.000 0.490 407 A N -0.145 122.729 122.820 0.090 0.000 2.521 407 A HA 0.515 4.825 4.320 -0.015 0.000 0.298 407 A C -0.437 177.215 177.584 0.113 0.000 1.044 407 A CA -0.529 51.552 52.037 0.073 0.000 0.911 407 A CB 0.803 19.785 19.000 -0.030 0.000 1.376 407 A HN 0.893 nan 8.150 nan 0.000 0.392 408 Q N 2.004 121.925 119.800 0.202 0.000 2.315 408 Q HA 0.195 4.526 4.340 -0.015 0.000 0.289 408 Q C 0.719 176.773 176.000 0.090 0.000 1.044 408 Q CA 0.641 56.561 55.803 0.196 0.000 0.920 408 Q CB 0.503 29.347 28.738 0.177 0.000 1.214 408 Q HN 0.760 nan 8.270 nan 0.000 0.392 409 R N 2.870 123.416 120.500 0.077 0.000 2.344 409 R HA 0.053 4.384 4.340 -0.015 0.000 0.209 409 R C -0.234 176.093 176.300 0.046 0.000 0.886 409 R CA 0.439 56.548 56.100 0.016 0.000 1.040 409 R CB 0.469 30.739 30.300 -0.051 0.000 1.114 409 R HN 0.882 nan 8.270 nan 0.000 0.547 410 D N 0.013 120.472 120.400 0.099 0.000 2.432 410 D HA 0.504 5.135 4.640 -0.015 0.000 0.258 410 D C -0.773 175.609 176.300 0.136 0.000 1.146 410 D CA -0.459 53.612 54.000 0.118 0.000 1.015 410 D CB 1.871 42.769 40.800 0.165 0.000 1.107 410 D HN 0.125 nan 8.370 nan 0.000 0.529 411 A N -0.993 121.911 122.820 0.141 0.000 2.583 411 A HA 0.271 4.582 4.320 -0.015 0.000 0.292 411 A C -0.768 176.905 177.584 0.149 0.000 1.045 411 A CA -0.802 51.330 52.037 0.158 0.000 0.672 411 A CB 0.181 19.264 19.000 0.140 0.000 1.283 411 A HN 0.697 nan 8.150 nan 0.000 0.419 412 W N 1.925 123.181 121.300 -0.073 0.000 2.423 412 W HA 0.316 4.967 4.660 -0.016 0.000 0.321 412 W C 1.474 177.959 176.519 -0.056 0.000 1.180 412 W CA 2.801 60.021 57.345 -0.208 0.000 1.322 412 W CB -0.525 28.697 29.460 -0.398 0.000 1.174 412 W HN 0.995 nan 8.180 nan 0.000 0.470 413 G N 0.004 108.891 108.800 0.146 0.000 2.624 413 G HA2 0.085 4.036 3.960 -0.015 0.000 0.217 413 G HA3 0.085 4.036 3.960 -0.015 0.000 0.217 413 G C -1.789 173.121 174.900 0.017 0.000 1.506 413 G CA 0.248 45.330 45.100 -0.030 0.000 1.072 413 G HN 0.088 nan 8.290 nan 0.000 0.568 414 P HA 0.052 nan 4.420 nan 0.000 0.236 414 P C 1.149 178.512 177.300 0.106 0.000 1.177 414 P CA 1.022 64.163 63.100 0.068 0.000 0.773 414 P CB 0.016 31.762 31.700 0.077 0.000 0.878 415 G N 1.289 110.173 108.800 0.140 0.000 2.385 415 G HA2 -0.238 3.713 3.960 -0.015 0.000 0.284 415 G HA3 -0.238 3.713 3.960 -0.015 0.000 0.284 415 G C 1.152 176.120 174.900 0.114 0.000 0.899 415 G CA 0.388 45.575 45.100 0.146 0.000 1.204 415 G HN 0.489 nan 8.290 nan 0.000 0.486 416 A N -0.145 122.753 122.820 0.131 0.000 1.933 416 A HA 0.267 4.577 4.320 -0.015 0.000 0.218 416 A C 2.689 180.310 177.584 0.062 0.000 1.175 416 A CA 2.226 54.339 52.037 0.126 0.000 0.628 416 A CB -0.396 18.720 19.000 0.192 0.000 0.814 416 A HN 1.710 nan 8.150 nan 0.000 0.444 417 A N -0.175 122.645 122.820 -0.001 0.000 1.862 417 A HA 0.074 4.384 4.320 -0.015 0.000 0.211 417 A C 2.014 179.564 177.584 -0.057 0.000 1.220 417 A CA 1.654 53.614 52.037 -0.128 0.000 0.616 417 A CB -0.489 18.238 19.000 -0.456 0.000 0.878 417 A HN 0.437 nan 8.150 nan 0.000 0.453 418 K N -0.346 120.054 120.400 -0.001 0.000 2.173 418 K HA -0.152 4.159 4.320 -0.015 0.000 0.207 418 K C 1.762 178.395 176.600 0.055 0.000 1.046 418 K CA 2.204 58.520 56.287 0.049 0.000 0.929 418 K CB -0.150 32.420 32.500 0.118 0.000 0.720 418 K HN 0.412 nan 8.250 nan 0.000 0.453 419 S N -2.533 113.200 115.700 0.055 0.000 2.648 419 S HA 0.235 4.696 4.470 -0.015 0.000 0.270 419 S C 1.456 176.072 174.600 0.025 0.000 1.082 419 S CA 0.120 58.348 58.200 0.048 0.000 1.116 419 S CB 0.048 63.288 63.200 0.066 0.000 1.040 419 S HN 0.475 nan 8.310 nan 0.000 0.572 420 G N 2.154 110.976 108.800 0.036 0.000 2.575 420 G HA2 -0.113 3.837 3.960 -0.015 0.000 0.215 420 G HA3 -0.113 3.837 3.960 -0.015 0.000 0.215 420 G C 1.389 176.299 174.900 0.017 0.000 1.262 420 G CA 1.410 46.531 45.100 0.036 0.000 0.807 420 G HN 0.397 nan 8.290 nan 0.000 0.567 421 V N 2.022 121.949 119.914 0.022 0.000 2.277 421 V HA -0.210 3.901 4.120 -0.015 0.000 0.253 421 V C 3.093 179.166 176.094 -0.036 0.000 1.067 421 V CA 2.284 64.585 62.300 0.002 0.000 1.047 421 V CB -1.480 30.347 31.823 0.006 0.000 0.649 421 V HN 0.504 nan 8.190 nan 0.000 0.447 422 G N -0.266 108.517 108.800 -0.029 0.000 2.604 422 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.216 422 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.216 422 G C 1.637 176.504 174.900 -0.055 0.000 1.265 422 G CA 1.653 46.728 45.100 -0.041 0.000 0.804 422 G HN 0.445 nan 8.290 nan 0.000 0.579 423 T N 1.808 116.333 114.554 -0.049 0.000 2.760 423 T HA -0.110 4.231 4.350 -0.015 0.000 0.269 423 T C 2.700 177.354 174.700 -0.077 0.000 1.047 423 T CA 1.775 63.831 62.100 -0.073 0.000 1.139 423 T CB -0.453 68.363 68.868 -0.086 0.000 0.855 423 T HN 0.451 nan 8.240 nan 0.000 0.471 424 A N 1.225 124.005 122.820 -0.068 0.000 1.865 424 A HA -0.043 4.268 4.320 -0.015 0.000 0.217 424 A C 2.313 179.797 177.584 -0.166 0.000 1.191 424 A CA 1.390 53.381 52.037 -0.076 0.000 0.623 424 A CB -0.850 18.119 19.000 -0.051 0.000 0.826 424 A HN 0.493 nan 8.150 nan 0.000 0.444 425 L N -0.870 120.224 121.223 -0.215 0.000 2.027 425 L HA -0.148 4.183 4.340 -0.015 0.000 0.206 425 L C 2.620 179.407 176.870 -0.137 0.000 1.074 425 L CA 1.138 55.802 54.840 -0.293 0.000 0.745 425 L CB -0.574 41.364 42.059 -0.201 0.000 0.898 425 L HN 0.452 nan 8.230 nan 0.000 0.433 426 L N -0.147 121.040 121.223 -0.060 0.000 1.997 426 L HA -0.307 4.024 4.340 -0.015 0.000 0.216 426 L C 2.570 179.445 176.870 0.008 0.000 1.074 426 L CA 1.712 56.567 54.840 0.024 0.000 0.763 426 L CB -0.152 41.920 42.059 0.021 0.000 0.890 426 L HN 0.248 nan 8.230 nan 0.000 0.434 427 L N -0.608 120.613 121.223 -0.004 0.000 1.961 427 L HA -0.241 4.089 4.340 -0.015 0.000 0.210 427 L C 2.727 179.525 176.870 -0.119 0.000 1.072 427 L CA 1.223 56.096 54.840 0.056 0.000 0.749 427 L CB -0.684 41.407 42.059 0.054 0.000 0.889 427 L HN 0.140 nan 8.230 nan 0.000 0.432 428 K N -0.108 120.244 120.400 -0.081 0.000 2.160 428 K HA -0.176 4.134 4.320 -0.015 0.000 0.206 428 K C 1.998 178.537 176.600 -0.102 0.000 1.047 428 K CA 1.248 57.500 56.287 -0.059 0.000 0.930 428 K CB -0.622 31.909 32.500 0.051 0.000 0.720 428 K HN 0.125 nan 8.250 nan 0.000 0.450 429 L N 0.502 121.675 121.223 -0.083 0.000 2.179 429 L HA 0.036 4.367 4.340 -0.015 0.000 0.208 429 L C 2.045 178.954 176.870 0.064 0.000 1.096 429 L CA 1.438 56.334 54.840 0.094 0.000 0.779 429 L CB -0.722 41.461 42.059 0.206 0.000 0.922 429 L HN 0.103 nan 8.230 nan 0.000 0.443 430 A N -1.341 121.197 122.820 -0.470 0.000 1.930 430 A HA -0.209 4.102 4.320 -0.015 0.000 0.215 430 A C 2.246 179.359 177.584 -0.786 0.000 1.176 430 A CA 1.275 52.582 52.037 -1.216 0.000 0.632 430 A CB -0.524 17.470 19.000 -1.676 0.000 0.819 430 A HN 0.557 nan 8.150 nan 0.000 0.445 431 Q N -0.687 118.507 119.800 -1.010 0.000 2.135 431 Q HA -0.199 4.132 4.340 -0.015 0.000 0.204 431 Q C 2.029 177.786 176.000 -0.404 0.000 0.981 431 Q CA 1.932 57.069 55.803 -1.109 0.000 0.856 431 Q CB -0.210 27.917 28.738 -1.019 0.000 0.902 431 Q HN 0.707 nan 8.270 nan 0.000 0.425 432 M N -0.706 118.743 119.600 -0.252 0.000 2.064 432 M HA -0.112 4.359 4.480 -0.015 0.000 0.260 432 M C 1.924 178.136 176.300 -0.146 0.000 1.073 432 M CA 1.452 56.635 55.300 -0.195 0.000 1.124 432 M CB -0.399 32.041 32.600 -0.267 0.000 1.326 432 M HN 0.196 nan 8.290 nan 0.000 0.410 433 F N 1.110 121.105 119.950 0.074 0.000 2.120 433 F HA -0.274 4.244 4.527 -0.015 0.000 0.300 433 F C 3.017 178.924 175.800 0.179 0.000 1.095 433 F CA 1.916 60.054 58.000 0.230 0.000 1.249 433 F CB -1.073 38.150 39.000 0.371 0.000 0.995 433 F HN 0.275 nan 8.300 nan 0.000 0.480 434 S N -0.377 115.461 115.700 0.230 0.000 2.353 434 S HA -0.299 4.161 4.470 -0.015 0.000 0.222 434 S C 1.776 176.452 174.600 0.127 0.000 1.035 434 S CA 1.645 59.938 58.200 0.155 0.000 1.025 434 S CB -1.015 62.227 63.200 0.071 0.000 0.902 434 S HN 0.420 nan 8.310 nan 0.000 0.440 435 D N 1.260 121.699 120.400 0.064 0.000 2.106 435 D HA -0.099 4.532 4.640 -0.015 0.000 0.191 435 D C 2.098 178.443 176.300 0.075 0.000 0.997 435 D CA 1.712 55.743 54.000 0.051 0.000 0.834 435 D CB -0.283 40.517 40.800 -0.001 0.000 0.956 435 D HN 0.392 nan 8.370 nan 0.000 0.448 436 M N -0.436 119.214 119.600 0.083 0.000 2.149 436 M HA -0.167 4.304 4.480 -0.015 0.000 0.261 436 M C 2.143 178.581 176.300 0.229 0.000 1.064 436 M CA 0.838 56.217 55.300 0.132 0.000 1.102 436 M CB -0.140 32.549 32.600 0.148 0.000 1.369 436 M HN 0.052 nan 8.290 nan 0.000 0.408 437 V N 0.221 120.282 119.914 0.245 0.000 2.307 437 V HA -0.232 3.879 4.120 -0.015 0.000 0.245 437 V C 2.340 178.531 176.094 0.162 0.000 1.045 437 V CA 1.221 63.635 62.300 0.190 0.000 1.024 437 V CB -0.521 31.408 31.823 0.177 0.000 0.651 437 V HN 0.368 nan 8.190 nan 0.000 0.449 438 L N -0.250 121.056 121.223 0.138 0.000 2.049 438 L HA -0.035 4.296 4.340 -0.015 0.000 0.203 438 L C 2.342 179.265 176.870 0.089 0.000 1.074 438 L CA 1.946 56.853 54.840 0.112 0.000 0.749 438 L CB -1.250 40.867 42.059 0.098 0.000 0.907 438 L HN 0.339 nan 8.230 nan 0.000 0.439 439 K N -0.478 119.967 120.400 0.075 0.000 2.099 439 K HA -0.033 4.278 4.320 -0.015 0.000 0.203 439 K C 1.411 178.039 176.600 0.045 0.000 1.047 439 K CA 0.816 57.134 56.287 0.052 0.000 0.963 439 K CB 0.090 32.613 32.500 0.037 0.000 0.759 439 K HN 0.238 nan 8.250 nan 0.000 0.451 440 D N -0.298 120.132 120.400 0.050 0.000 2.355 440 D HA 0.017 4.648 4.640 -0.015 0.000 0.218 440 D C 0.971 177.302 176.300 0.052 0.000 1.004 440 D CA 0.859 54.880 54.000 0.035 0.000 0.880 440 D CB 0.739 41.544 40.800 0.008 0.000 0.911 440 D HN 0.446 nan 8.370 nan 0.000 0.528 441 G N 1.479 110.326 108.800 0.080 0.000 2.141 441 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.242 441 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.242 441 G C 0.112 175.064 174.900 0.087 0.000 0.982 441 G CA -0.241 44.898 45.100 0.065 0.000 0.662 441 G HN 0.311 nan 8.290 nan 0.000 0.527 442 F N 2.148 122.066 119.950 -0.053 0.000 2.541 442 F HA 0.500 5.018 4.527 -0.015 0.000 0.378 442 F C 0.736 176.431 175.800 -0.174 0.000 1.068 442 F CA -0.570 57.389 58.000 -0.069 0.000 1.199 442 F CB 0.502 39.507 39.000 0.008 0.000 1.091 442 F HN 0.243 nan 8.300 nan 0.000 0.555 443 Q N 7.736 127.355 119.800 -0.301 0.000 2.842 443 Q HA 0.267 4.598 4.340 -0.015 0.000 0.323 443 Q C -2.333 173.201 176.000 -0.776 0.000 1.111 443 Q CA -1.984 53.216 55.803 -1.005 0.000 1.047 443 Q CB 0.413 28.540 28.738 -1.018 0.000 1.280 443 Q HN 0.461 nan 8.270 nan 0.000 0.475 444 P HA -0.094 nan 4.420 nan 0.000 0.255 444 P C 0.248 177.507 177.300 -0.069 0.000 1.161 444 P CA 0.715 63.582 63.100 -0.388 0.000 0.768 444 P CB 0.824 32.256 31.700 -0.447 0.000 0.746 445 S N 2.697 118.413 115.700 0.027 0.000 2.447 445 S HA -0.051 4.409 4.470 -0.015 0.000 0.233 445 S C 0.757 175.412 174.600 0.091 0.000 1.006 445 S CA 1.034 59.276 58.200 0.071 0.000 0.957 445 S CB -0.127 63.106 63.200 0.055 0.000 0.773 445 S HN 0.428 nan 8.310 nan 0.000 0.507 446 R N 1.146 121.708 120.500 0.103 0.000 2.686 446 R HA 0.361 4.692 4.340 -0.015 0.000 0.283 446 R C -0.462 175.856 176.300 0.030 0.000 0.978 446 R CA -0.385 55.780 56.100 0.109 0.000 0.897 446 R CB 1.802 32.283 30.300 0.301 0.000 1.192 446 R HN 0.212 nan 8.270 nan 0.000 0.457 447 S N 2.385 118.005 115.700 -0.133 0.000 2.573 447 S HA 0.282 4.742 4.470 -0.015 0.000 0.277 447 S C 0.456 174.983 174.600 -0.122 0.000 1.346 447 S CA -0.346 57.738 58.200 -0.192 0.000 1.034 447 S CB 0.497 63.424 63.200 -0.454 0.000 0.879 447 S HN 0.409 nan 8.310 nan 0.000 0.528 448 I N 1.718 122.247 120.570 -0.068 0.000 2.493 448 I HA 0.527 4.687 4.170 -0.015 0.000 0.298 448 I C -0.297 175.756 176.117 -0.107 0.000 0.998 448 I CA -0.765 60.415 61.300 -0.199 0.000 1.137 448 I CB 1.691 39.454 38.000 -0.394 0.000 1.310 448 I HN 0.676 nan 8.210 nan 0.000 0.445 449 I N 5.747 126.199 120.570 -0.197 0.000 2.503 449 I HA 0.387 4.547 4.170 -0.015 0.000 0.282 449 I C -1.295 174.668 176.117 -0.256 0.000 1.059 449 I CA -0.357 60.924 61.300 -0.031 0.000 1.081 449 I CB 0.632 38.790 38.000 0.263 0.000 1.210 449 I HN 0.311 nan 8.210 nan 0.000 0.450 450 F N 6.380 126.206 119.950 -0.206 0.000 2.389 450 F HA 0.696 5.213 4.527 -0.015 0.000 0.337 450 F C 0.748 176.270 175.800 -0.464 0.000 1.112 450 F CA -0.371 57.441 58.000 -0.313 0.000 1.192 450 F CB 1.290 40.046 39.000 -0.407 0.000 1.185 450 F HN 0.489 nan 8.300 nan 0.000 0.552 451 A N 1.409 123.965 122.820 -0.441 0.000 2.437 451 A HA 0.548 4.859 4.320 -0.015 0.000 0.293 451 A C -0.908 175.970 177.584 -1.176 0.000 1.038 451 A CA -0.615 50.723 52.037 -1.165 0.000 0.708 451 A CB 1.388 19.202 19.000 -1.977 0.000 1.251 451 A HN 0.565 nan 8.150 nan 0.000 0.409 452 S N 2.622 117.732 115.700 -0.983 0.000 2.474 452 S HA 0.518 4.978 4.470 -0.015 0.000 0.320 452 S C -0.409 173.791 174.600 -0.667 0.000 1.067 452 S CA -0.436 57.365 58.200 -0.665 0.000 1.127 452 S CB -0.337 62.634 63.200 -0.382 0.000 0.971 452 S HN 0.504 nan 8.310 nan 0.000 0.472 453 W N 2.703 123.908 121.300 -0.158 0.000 1.992 453 W HA 0.564 5.215 4.660 -0.016 0.000 0.360 453 W C 1.052 177.555 176.519 -0.026 0.000 1.369 453 W CA -0.469 56.820 57.345 -0.092 0.000 1.403 453 W CB 0.262 29.714 29.460 -0.014 0.000 1.215 453 W HN 0.499 nan 8.180 nan 0.000 0.643 454 S N -0.563 115.306 115.700 0.281 0.000 2.685 454 S HA 0.538 4.998 4.470 -0.015 0.000 0.282 454 S C -0.003 174.729 174.600 0.222 0.000 1.159 454 S CA -0.110 58.204 58.200 0.191 0.000 0.833 454 S CB 1.066 64.336 63.200 0.116 0.000 1.151 454 S HN 1.558 nan 8.310 nan 0.000 0.485 455 A N -0.020 122.930 122.820 0.217 0.000 2.832 455 A HA -0.153 4.157 4.320 -0.015 0.000 0.280 455 A C 1.365 179.174 177.584 0.376 0.000 1.464 455 A CA 1.735 53.938 52.037 0.275 0.000 0.804 455 A CB -2.282 16.799 19.000 0.136 0.000 1.020 455 A HN 1.595 nan 8.150 nan 0.000 0.563 456 G N -1.050 107.943 108.800 0.323 0.000 2.448 456 G HA2 -0.035 3.916 3.960 -0.015 0.000 0.218 456 G HA3 -0.035 3.916 3.960 -0.015 0.000 0.218 456 G C 0.947 176.013 174.900 0.277 0.000 1.135 456 G CA 1.102 46.370 45.100 0.280 0.000 0.784 456 G HN 0.609 nan 8.290 nan 0.000 0.543 457 D N -0.021 120.550 120.400 0.284 0.000 2.378 457 D HA -0.011 4.620 4.640 -0.015 0.000 0.222 457 D C 0.589 176.766 176.300 -0.205 0.000 0.980 457 D CA 0.451 54.508 54.000 0.096 0.000 0.907 457 D CB -0.007 40.855 40.800 0.103 0.000 0.899 457 D HN 0.376 nan 8.370 nan 0.000 0.527 458 F N -0.581 119.421 119.950 0.087 0.000 2.684 458 F HA 0.340 4.857 4.527 -0.015 0.000 0.298 458 F C 1.422 177.314 175.800 0.153 0.000 1.120 458 F CA -0.289 57.657 58.000 -0.089 0.000 1.332 458 F CB 0.790 39.896 39.000 0.176 0.000 0.986 458 F HN -0.131 nan 8.300 nan 0.000 0.524 459 G N -0.417 108.709 108.800 0.542 0.000 2.226 459 G HA2 -0.180 3.771 3.960 -0.015 0.000 0.176 459 G HA3 -0.180 3.771 3.960 -0.015 0.000 0.176 459 G C 0.625 175.678 174.900 0.254 0.000 1.042 459 G CA -0.213 45.200 45.100 0.520 0.000 0.732 459 G HN 0.203 nan 8.290 nan 0.000 0.494 460 S N -2.642 113.188 115.700 0.216 0.000 3.445 460 S HA -0.333 4.128 4.470 -0.015 0.000 0.319 460 S C 2.136 176.785 174.600 0.081 0.000 1.209 460 S CA 1.312 59.582 58.200 0.116 0.000 0.934 460 S CB -1.765 61.462 63.200 0.046 0.000 0.999 460 S HN 1.546 nan 8.310 nan 0.000 0.582 461 V N 0.658 120.664 119.914 0.152 0.000 2.363 461 V HA -0.341 3.770 4.120 -0.015 0.000 0.254 461 V C 2.683 178.799 176.094 0.037 0.000 1.074 461 V CA 2.609 64.966 62.300 0.095 0.000 1.069 461 V CB -1.560 30.352 31.823 0.148 0.000 0.659 461 V HN 0.767 nan 8.190 nan 0.000 0.455 462 G N -0.617 108.250 108.800 0.111 0.000 2.464 462 G HA2 -0.137 3.814 3.960 -0.015 0.000 0.214 462 G HA3 -0.137 3.814 3.960 -0.015 0.000 0.214 462 G C 1.779 176.765 174.900 0.144 0.000 1.218 462 G CA 1.081 46.288 45.100 0.178 0.000 0.794 462 G HN 0.645 nan 8.290 nan 0.000 0.542 463 A N 0.208 122.975 122.820 -0.088 0.000 1.902 463 A HA -0.030 4.281 4.320 -0.015 0.000 0.217 463 A C 2.546 179.924 177.584 -0.343 0.000 1.181 463 A CA 2.628 54.208 52.037 -0.761 0.000 0.623 463 A CB -1.081 17.005 19.000 -1.524 0.000 0.818 463 A HN 0.340 nan 8.150 nan 0.000 0.443 464 T N 0.294 114.716 114.554 -0.220 0.000 2.652 464 T HA -0.139 4.201 4.350 -0.015 0.000 0.267 464 T C 1.673 176.269 174.700 -0.174 0.000 1.039 464 T CA 1.459 63.439 62.100 -0.201 0.000 1.153 464 T CB -0.328 68.442 68.868 -0.164 0.000 0.863 464 T HN 0.493 nan 8.240 nan 0.000 0.428 465 E N -0.100 120.000 120.200 -0.167 0.000 2.333 465 E HA -0.110 4.230 4.350 -0.015 0.000 0.198 465 E C 1.688 178.251 176.600 -0.062 0.000 1.007 465 E CA 0.535 56.798 56.400 -0.229 0.000 0.845 465 E CB -0.217 29.216 29.700 -0.446 0.000 0.766 465 E HN 0.687 nan 8.360 nan 0.000 0.507 466 W N 1.455 122.710 121.300 -0.075 0.000 2.408 466 W HA -0.086 4.567 4.660 -0.013 0.000 0.311 466 W C 1.930 178.536 176.519 0.146 0.000 1.190 466 W CA 1.048 58.523 57.345 0.217 0.000 1.321 466 W CB -0.540 29.171 29.460 0.418 0.000 1.143 466 W HN -0.061 nan 8.180 nan 0.000 0.501 467 L N 0.579 121.822 121.223 0.034 0.000 1.989 467 L HA -0.266 4.064 4.340 -0.015 0.000 0.211 467 L C 2.407 179.293 176.870 0.027 0.000 1.071 467 L CA 2.048 56.794 54.840 -0.156 0.000 0.749 467 L CB -1.297 40.657 42.059 -0.174 0.000 0.890 467 L HN 0.032 nan 8.230 nan 0.000 0.431 468 E N 0.104 120.322 120.200 0.028 0.000 2.253 468 E HA -0.255 4.086 4.350 -0.015 0.000 0.202 468 E C 2.124 178.733 176.600 0.014 0.000 1.014 468 E CA 1.063 57.489 56.400 0.043 0.000 0.823 468 E CB -0.300 29.321 29.700 -0.132 0.000 0.736 468 E HN 0.633 nan 8.360 nan 0.000 0.478 469 G N -0.406 108.370 108.800 -0.041 0.000 2.422 469 G HA2 -0.196 3.755 3.960 -0.015 0.000 0.218 469 G HA3 -0.196 3.755 3.960 -0.015 0.000 0.218 469 G C 0.459 175.154 174.900 -0.341 0.000 1.140 469 G CA 0.409 45.411 45.100 -0.164 0.000 0.775 469 G HN 0.209 nan 8.290 nan 0.000 0.545 470 Y N -0.035 120.089 120.300 -0.295 0.000 2.631 470 Y HA 0.376 4.918 4.550 -0.014 0.000 0.361 470 Y C 1.344 177.096 175.900 -0.247 0.000 0.941 470 Y CA -1.272 56.648 58.100 -0.300 0.000 1.327 470 Y CB 0.544 38.750 38.460 -0.423 0.000 1.299 470 Y HN 0.018 nan 8.280 nan 0.000 0.578 471 L N 0.921 122.102 121.223 -0.070 0.000 2.283 471 L HA -0.246 4.085 4.340 -0.015 0.000 0.217 471 L C 1.416 178.217 176.870 -0.114 0.000 1.104 471 L CA 2.342 57.126 54.840 -0.094 0.000 0.772 471 L CB -0.209 41.833 42.059 -0.029 0.000 0.899 471 L HN 0.391 nan 8.230 nan 0.000 0.439 472 S N -4.168 111.463 115.700 -0.114 0.000 3.073 472 S HA 0.280 4.741 4.470 -0.015 0.000 0.252 472 S C 0.685 175.122 174.600 -0.271 0.000 0.953 472 S CA 0.030 58.156 58.200 -0.123 0.000 1.105 472 S CB -0.230 62.938 63.200 -0.053 0.000 1.070 472 S HN 0.417 nan 8.310 nan 0.000 0.574 473 S N -0.043 115.459 115.700 -0.329 0.000 2.612 473 S HA 0.190 4.651 4.470 -0.015 0.000 0.278 473 S C 1.154 175.468 174.600 -0.477 0.000 1.082 473 S CA 0.218 58.151 58.200 -0.446 0.000 1.185 473 S CB -0.506 62.583 63.200 -0.184 0.000 1.077 473 S HN 0.256 nan 8.310 nan 0.000 0.585 474 L N 4.691 125.717 121.223 -0.327 0.000 2.051 474 L HA -0.197 4.134 4.340 -0.015 0.000 0.214 474 L C 2.616 179.337 176.870 -0.248 0.000 1.076 474 L CA 2.703 57.344 54.840 -0.331 0.000 0.758 474 L CB -1.155 40.709 42.059 -0.325 0.000 0.890 474 L HN 0.706 nan 8.230 nan 0.000 0.433 475 H N -1.570 117.374 119.070 -0.209 0.000 2.489 475 H HA -0.130 4.416 4.556 -0.016 0.000 0.293 475 H C 1.994 177.262 175.328 -0.101 0.000 1.066 475 H CA 1.444 57.408 56.048 -0.141 0.000 1.305 475 H CB -0.562 29.042 29.762 -0.263 0.000 1.386 475 H HN 0.459 nan 8.280 nan 0.000 0.551 476 L N 0.164 121.074 121.223 -0.521 0.000 2.478 476 L HA -0.019 4.312 4.340 -0.015 0.000 0.223 476 L C 2.033 178.905 176.870 0.003 0.000 1.140 476 L CA 0.791 55.495 54.840 -0.225 0.000 0.842 476 L CB 0.120 41.992 42.059 -0.312 0.000 0.953 476 L HN 0.205 nan 8.230 nan 0.000 0.452 477 K N -0.543 119.854 120.400 -0.005 0.000 2.309 477 K HA 0.302 4.613 4.320 -0.015 0.000 0.210 477 K C 0.645 177.400 176.600 0.258 0.000 1.114 477 K CA 0.303 56.687 56.287 0.162 0.000 0.912 477 K CB 0.248 32.747 32.500 -0.002 0.000 1.198 477 K HN 0.046 nan 8.250 nan 0.000 0.471 478 A N 1.682 124.593 122.820 0.153 0.000 2.289 478 A HA 0.359 4.670 4.320 -0.015 0.000 0.298 478 A C 0.171 177.869 177.584 0.190 0.000 1.208 478 A CA -0.411 51.736 52.037 0.185 0.000 0.845 478 A CB -0.261 18.897 19.000 0.263 0.000 1.125 478 A HN 0.436 nan 8.150 nan 0.000 0.517 479 F N 0.559 120.597 119.950 0.146 0.000 2.695 479 F HA 0.470 4.988 4.527 -0.016 0.000 0.303 479 F C 0.109 175.989 175.800 0.134 0.000 1.091 479 F CA -0.286 57.771 58.000 0.095 0.000 1.300 479 F CB -0.062 38.937 39.000 -0.002 0.000 1.071 479 F HN 0.289 nan 8.300 nan 0.000 0.578 480 T N -0.065 114.480 114.554 -0.015 0.000 3.087 480 T HA 0.218 4.558 4.350 -0.015 0.000 0.351 480 T C -2.506 172.212 174.700 0.031 0.000 1.520 480 T CA -0.497 61.644 62.100 0.069 0.000 1.111 480 T CB 1.461 70.379 68.868 0.084 0.000 1.353 480 T HN 0.130 nan 8.240 nan 0.000 0.481 481 Y N 3.871 124.127 120.300 -0.074 0.000 2.326 481 Y HA 0.723 5.264 4.550 -0.015 0.000 0.331 481 Y C -0.869 174.917 175.900 -0.191 0.000 0.962 481 Y CA -1.181 56.772 58.100 -0.244 0.000 1.167 481 Y CB 0.429 38.539 38.460 -0.583 0.000 1.148 481 Y HN 0.617 nan 8.280 nan 0.000 0.463 482 I N 5.355 125.505 120.570 -0.701 0.000 2.797 482 I HA 0.320 4.481 4.170 -0.015 0.000 0.310 482 I C -0.322 175.216 176.117 -0.965 0.000 0.990 482 I CA -0.894 60.090 61.300 -0.528 0.000 1.228 482 I CB 1.415 39.298 38.000 -0.195 0.000 1.406 482 I HN 0.626 nan 8.210 nan 0.000 0.534 483 N N 3.651 121.984 118.700 -0.611 0.000 2.425 483 N HA 0.295 5.026 4.740 -0.015 0.000 0.289 483 N C -0.442 174.808 175.510 -0.433 0.000 1.074 483 N CA -0.403 52.344 53.050 -0.506 0.000 0.905 483 N CB 1.946 40.234 38.487 -0.331 0.000 1.586 483 N HN 0.537 nan 8.380 nan 0.000 0.490 484 L N 0.736 121.787 121.223 -0.287 0.000 2.607 484 L HA 0.223 4.554 4.340 -0.015 0.000 0.228 484 L C 0.177 176.942 176.870 -0.176 0.000 1.123 484 L CA -0.155 54.527 54.840 -0.265 0.000 0.890 484 L CB -0.159 41.820 42.059 -0.133 0.000 1.103 484 L HN 0.380 nan 8.230 nan 0.000 0.468 485 D N 2.123 122.453 120.400 -0.116 0.000 2.515 485 D HA -0.066 4.564 4.640 -0.015 0.000 0.232 485 D C 0.565 176.816 176.300 -0.081 0.000 1.157 485 D CA 0.462 54.429 54.000 -0.054 0.000 0.871 485 D CB 0.430 41.228 40.800 -0.003 0.000 1.200 485 D HN 0.038 nan 8.370 nan 0.000 0.466 486 K N 0.458 120.831 120.400 -0.045 0.000 3.100 486 K HA -0.280 4.031 4.320 -0.015 0.000 0.261 486 K C 0.885 177.467 176.600 -0.031 0.000 0.920 486 K CA 0.346 56.605 56.287 -0.046 0.000 0.683 486 K CB -1.018 31.457 32.500 -0.042 0.000 1.349 486 K HN 0.503 nan 8.250 nan 0.000 0.473 487 A N 0.059 122.873 122.820 -0.010 0.000 1.930 487 A HA -0.015 4.296 4.320 -0.015 0.000 0.217 487 A C 0.919 178.646 177.584 0.239 0.000 1.175 487 A CA 1.085 53.182 52.037 0.101 0.000 0.627 487 A CB 0.517 19.605 19.000 0.146 0.000 0.815 487 A HN 0.138 nan 8.150 nan 0.000 0.443 488 V N 0.359 120.358 119.914 0.142 0.000 2.350 488 V HA 0.427 4.537 4.120 -0.015 0.000 0.285 488 V C -0.091 176.031 176.094 0.047 0.000 1.014 488 V CA -0.183 62.203 62.300 0.143 0.000 0.831 488 V CB 1.301 33.175 31.823 0.084 0.000 1.000 488 V HN 0.313 nan 8.190 nan 0.000 0.433 489 L N 3.964 125.242 121.223 0.092 0.000 3.174 489 L HA 0.699 5.030 4.340 -0.015 0.000 0.283 489 L C 0.889 177.852 176.870 0.156 0.000 1.187 489 L CA 0.918 55.792 54.840 0.056 0.000 1.018 489 L CB 0.719 42.805 42.059 0.045 0.000 1.433 489 L HN 0.796 nan 8.230 nan 0.000 0.593 490 G N -1.260 107.636 108.800 0.159 0.000 2.500 490 G HA2 0.456 4.407 3.960 -0.015 0.000 0.299 490 G HA3 0.456 4.407 3.960 -0.015 0.000 0.299 490 G C -0.429 174.565 174.900 0.156 0.000 1.242 490 G CA 0.437 45.629 45.100 0.152 0.000 0.859 490 G HN -0.181 nan 8.290 nan 0.000 0.481 491 T N -2.993 111.669 114.554 0.180 0.000 3.488 491 T HA 0.394 4.735 4.350 -0.015 0.000 0.312 491 T C 1.009 175.928 174.700 0.366 0.000 0.931 491 T CA 0.925 63.172 62.100 0.245 0.000 0.982 491 T CB 0.445 69.422 68.868 0.182 0.000 1.198 491 T HN 0.370 nan 8.240 nan 0.000 0.545 492 S N 1.850 117.718 115.700 0.281 0.000 2.431 492 S HA 0.276 4.736 4.470 -0.015 0.000 0.210 492 S C 0.903 175.678 174.600 0.292 0.000 1.013 492 S CA 0.026 58.377 58.200 0.251 0.000 0.920 492 S CB -0.042 63.242 63.200 0.140 0.000 0.882 492 S HN 0.533 nan 8.310 nan 0.000 0.567 493 N N 0.386 119.219 118.700 0.221 0.000 2.476 493 N HA 0.379 5.110 4.740 -0.015 0.000 0.287 493 N C -1.238 174.408 175.510 0.227 0.000 1.262 493 N CA -0.245 52.919 53.050 0.189 0.000 0.980 493 N CB 0.501 39.049 38.487 0.101 0.000 1.163 493 N HN 0.245 nan 8.380 nan 0.000 0.592 494 F N 0.641 120.559 119.950 -0.054 0.000 2.766 494 F HA 0.246 4.764 4.527 -0.015 0.000 0.355 494 F C 0.038 175.759 175.800 -0.131 0.000 1.434 494 F CA -0.730 57.140 58.000 -0.217 0.000 1.139 494 F CB 0.231 39.031 39.000 -0.333 0.000 1.816 494 F HN 0.266 nan 8.300 nan 0.000 0.600 495 K N 2.269 122.473 120.400 -0.326 0.000 2.440 495 K HA 0.516 4.827 4.320 -0.015 0.000 0.270 495 K C -1.281 175.027 176.600 -0.488 0.000 0.980 495 K CA 0.115 56.225 56.287 -0.295 0.000 0.953 495 K CB 0.806 33.195 32.500 -0.185 0.000 0.925 495 K HN 0.309 nan 8.250 nan 0.000 0.497 496 V N 2.396 122.126 119.914 -0.307 0.000 2.711 496 V HA 0.214 4.325 4.120 -0.015 0.000 0.304 496 V C -1.325 174.684 176.094 -0.142 0.000 1.097 496 V CA -0.832 61.320 62.300 -0.246 0.000 0.906 496 V CB 2.230 33.944 31.823 -0.183 0.000 1.015 496 V HN 0.849 nan 8.190 nan 0.000 0.427 497 S N 2.959 118.582 115.700 -0.128 0.000 2.532 497 S HA 0.979 5.439 4.470 -0.015 0.000 0.299 497 S C -0.184 174.343 174.600 -0.122 0.000 1.105 497 S CA -0.111 58.008 58.200 -0.135 0.000 1.018 497 S CB 1.950 65.062 63.200 -0.147 0.000 1.021 497 S HN 1.349 nan 8.310 nan 0.000 0.483 498 A N 1.557 124.279 122.820 -0.162 0.000 2.511 498 A HA 0.816 5.127 4.320 -0.015 0.000 0.293 498 A C -0.626 176.804 177.584 -0.256 0.000 1.098 498 A CA -0.719 51.225 52.037 -0.155 0.000 0.643 498 A CB 0.685 19.633 19.000 -0.088 0.000 1.302 498 A HN 0.721 nan 8.150 nan 0.000 0.446 499 S N 0.811 116.398 115.700 -0.188 0.000 2.545 499 S HA 0.475 4.935 4.470 -0.015 0.000 0.275 499 S C -1.097 173.442 174.600 -0.103 0.000 1.299 499 S CA -0.886 57.203 58.200 -0.186 0.000 1.048 499 S CB 0.735 63.948 63.200 0.021 0.000 0.938 499 S HN 0.461 nan 8.310 nan 0.000 0.496 500 P HA -0.165 nan 4.420 nan 0.000 0.219 500 P C 1.408 178.693 177.300 -0.026 0.000 1.144 500 P CA 1.166 64.182 63.100 -0.139 0.000 0.806 500 P CB -0.063 31.433 31.700 -0.340 0.000 0.771 501 L N -1.565 119.692 121.223 0.056 0.000 2.265 501 L HA -0.080 4.250 4.340 -0.015 0.000 0.215 501 L C 2.231 179.129 176.870 0.047 0.000 1.117 501 L CA 1.040 55.951 54.840 0.120 0.000 0.782 501 L CB -0.546 41.654 42.059 0.234 0.000 0.914 501 L HN -0.006 nan 8.230 nan 0.000 0.441 502 L N -2.419 118.805 121.223 0.002 0.000 2.728 502 L HA -0.000 4.330 4.340 -0.015 0.000 0.238 502 L C 1.898 178.696 176.870 -0.120 0.000 1.143 502 L CA -0.304 54.479 54.840 -0.096 0.000 0.937 502 L CB -0.197 41.768 42.059 -0.156 0.000 1.225 502 L HN 0.081 nan 8.230 nan 0.000 0.507 503 Y N 1.478 121.693 120.300 -0.140 0.000 2.081 503 Y HA -0.328 4.212 4.550 -0.016 0.000 0.280 503 Y C 2.460 178.282 175.900 -0.130 0.000 1.163 503 Y CA 2.337 60.359 58.100 -0.130 0.000 1.135 503 Y CB -0.366 38.024 38.460 -0.116 0.000 0.970 503 Y HN 0.083 nan 8.280 nan 0.000 0.498 504 T N 1.023 115.435 114.554 -0.237 0.000 2.915 504 T HA -0.142 4.198 4.350 -0.015 0.000 0.269 504 T C 1.763 176.273 174.700 -0.317 0.000 1.071 504 T CA 1.216 63.132 62.100 -0.307 0.000 1.132 504 T CB -0.475 68.305 68.868 -0.147 0.000 0.878 504 T HN 0.295 nan 8.240 nan 0.000 0.479 505 L N 1.062 122.108 121.223 -0.295 0.000 2.044 505 L HA 0.161 4.492 4.340 -0.015 0.000 0.205 505 L C 2.080 178.781 176.870 -0.282 0.000 1.075 505 L CA 1.414 56.070 54.840 -0.306 0.000 0.747 505 L CB -0.584 41.235 42.059 -0.400 0.000 0.903 505 L HN 0.219 nan 8.230 nan 0.000 0.435 506 I N -0.326 120.046 120.570 -0.330 0.000 2.127 506 I HA -0.324 3.836 4.170 -0.015 0.000 0.241 506 I C 2.508 178.545 176.117 -0.133 0.000 1.075 506 I CA 1.781 63.016 61.300 -0.109 0.000 1.334 506 I CB -0.496 37.440 38.000 -0.107 0.000 1.040 506 I HN 0.461 nan 8.210 nan 0.000 0.405 507 E N 1.492 121.460 120.200 -0.387 0.000 2.000 507 E HA -0.300 4.040 4.350 -0.015 0.000 0.199 507 E C 2.102 178.451 176.600 -0.418 0.000 1.011 507 E CA 1.704 57.803 56.400 -0.502 0.000 0.836 507 E CB 0.032 29.327 29.700 -0.674 0.000 0.778 507 E HN 0.120 nan 8.360 nan 0.000 0.462 508 K N -0.122 120.073 120.400 -0.341 0.000 2.228 508 K HA -0.127 4.184 4.320 -0.015 0.000 0.205 508 K C 1.986 178.517 176.600 -0.115 0.000 1.045 508 K CA 1.710 57.853 56.287 -0.240 0.000 0.931 508 K CB -0.516 31.853 32.500 -0.218 0.000 0.727 508 K HN 0.181 nan 8.250 nan 0.000 0.458 509 T N 0.193 114.723 114.554 -0.040 0.000 2.894 509 T HA 0.048 4.389 4.350 -0.015 0.000 0.258 509 T C 1.494 176.235 174.700 0.069 0.000 1.043 509 T CA 0.852 63.013 62.100 0.102 0.000 1.141 509 T CB -0.040 69.013 68.868 0.309 0.000 0.873 509 T HN 0.157 nan 8.240 nan 0.000 0.449 510 M N 1.094 120.707 119.600 0.022 0.000 2.632 510 M HA -0.005 4.466 4.480 -0.015 0.000 0.256 510 M C 1.821 178.184 176.300 0.107 0.000 1.080 510 M CA 1.153 56.467 55.300 0.023 0.000 1.084 510 M CB -0.306 32.347 32.600 0.089 0.000 1.439 510 M HN 0.266 nan 8.290 nan 0.000 0.509 511 Q N -0.491 119.333 119.800 0.040 0.000 2.319 511 Q HA 0.079 4.410 4.340 -0.015 0.000 0.202 511 Q C 1.119 177.254 176.000 0.224 0.000 0.896 511 Q CA 0.271 56.116 55.803 0.069 0.000 0.942 511 Q CB 0.451 29.120 28.738 -0.116 0.000 1.083 511 Q HN 0.536 nan 8.270 nan 0.000 0.510 512 N N -0.734 118.130 118.700 0.274 0.000 2.382 512 N HA 0.074 4.804 4.740 -0.015 0.000 0.200 512 N C -0.322 175.338 175.510 0.250 0.000 1.122 512 N CA 0.283 53.538 53.050 0.342 0.000 0.870 512 N CB 1.461 40.137 38.487 0.316 0.000 1.176 512 N HN -0.085 nan 8.380 nan 0.000 0.474 513 V N 2.766 122.761 119.914 0.135 0.000 2.407 513 V HA 0.230 4.341 4.120 -0.015 0.000 0.278 513 V C 0.196 176.223 176.094 -0.112 0.000 1.037 513 V CA -0.552 61.728 62.300 -0.033 0.000 0.900 513 V CB 1.553 33.309 31.823 -0.111 0.000 0.983 513 V HN -0.047 nan 8.190 nan 0.000 0.459 514 K N 3.002 123.255 120.400 -0.245 0.000 2.201 514 K HA 0.361 4.672 4.320 -0.015 0.000 0.278 514 K C -0.001 176.543 176.600 -0.094 0.000 1.027 514 K CA -0.677 55.431 56.287 -0.299 0.000 0.909 514 K CB 1.076 33.282 32.500 -0.489 0.000 1.062 514 K HN 0.802 nan 8.250 nan 0.000 0.465 515 H N 4.248 123.251 119.070 -0.111 0.000 3.092 515 H HA -0.065 4.482 4.556 -0.015 0.000 0.332 515 H C -1.317 173.954 175.328 -0.095 0.000 1.029 515 H CA -0.777 55.257 56.048 -0.024 0.000 1.376 515 H CB 0.955 30.728 29.762 0.018 0.000 1.329 515 H HN 0.433 nan 8.280 nan 0.000 0.598 516 P HA -0.179 nan 4.420 nan 0.000 0.216 516 P C 1.203 178.547 177.300 0.073 0.000 1.153 516 P CA 1.104 64.208 63.100 0.008 0.000 0.848 516 P CB 0.307 31.889 31.700 -0.196 0.000 0.787 517 V N -0.089 119.953 119.914 0.214 0.000 2.283 517 V HA -0.039 4.072 4.120 -0.015 0.000 0.239 517 V C 1.282 177.282 176.094 -0.157 0.000 1.035 517 V CA 1.665 63.943 62.300 -0.036 0.000 1.018 517 V CB -1.648 30.128 31.823 -0.080 0.000 0.658 517 V HN 0.102 nan 8.190 nan 0.000 0.459 518 T N 0.968 115.298 114.554 -0.374 0.000 2.884 518 T HA 0.320 4.660 4.350 -0.015 0.000 0.298 518 T C 1.190 175.816 174.700 -0.123 0.000 0.998 518 T CA 0.452 62.395 62.100 -0.262 0.000 1.124 518 T CB 1.333 69.995 68.868 -0.343 0.000 0.931 518 T HN 0.486 nan 8.240 nan 0.000 0.531 519 G N 2.330 111.075 108.800 -0.091 0.000 2.679 519 G HA2 -0.045 3.906 3.960 -0.015 0.000 0.212 519 G HA3 -0.045 3.906 3.960 -0.015 0.000 0.212 519 G C 0.539 175.378 174.900 -0.101 0.000 1.137 519 G CA 0.252 45.299 45.100 -0.088 0.000 0.787 519 G HN 0.640 nan 8.290 nan 0.000 0.534 520 Q N -0.693 119.081 119.800 -0.043 0.000 2.317 520 Q HA 0.403 4.734 4.340 -0.015 0.000 0.229 520 Q C -0.632 175.386 176.000 0.031 0.000 0.984 520 Q CA -0.747 55.081 55.803 0.043 0.000 0.911 520 Q CB 0.906 29.700 28.738 0.095 0.000 1.217 520 Q HN 0.232 nan 8.270 nan 0.000 0.501 521 F N 0.500 120.474 119.950 0.040 0.000 2.450 521 F HA 0.001 4.519 4.527 -0.016 0.000 0.339 521 F C 1.433 177.263 175.800 0.049 0.000 1.146 521 F CA -0.065 57.961 58.000 0.044 0.000 1.267 521 F CB 0.217 39.253 39.000 0.061 0.000 1.178 521 F HN 0.463 nan 8.300 nan 0.000 0.585 522 L N 0.818 122.144 121.223 0.173 0.000 2.083 522 L HA -0.211 4.120 4.340 -0.015 0.000 0.209 522 L C 0.580 177.545 176.870 0.158 0.000 1.083 522 L CA 0.908 55.767 54.840 0.030 0.000 0.752 522 L CB -0.447 41.426 42.059 -0.310 0.000 0.899 522 L HN 0.474 nan 8.230 nan 0.000 0.433 523 Y N 2.179 122.521 120.300 0.070 0.000 2.496 523 Y HA 0.013 4.554 4.550 -0.015 0.000 0.334 523 Y C 0.499 176.433 175.900 0.055 0.000 1.080 523 Y CA -0.723 57.409 58.100 0.053 0.000 1.355 523 Y CB -0.020 38.455 38.460 0.025 0.000 1.193 523 Y HN 0.101 nan 8.280 nan 0.000 0.523 524 Q N 5.930 125.490 119.800 -0.399 0.000 2.381 524 Q HA -0.061 4.270 4.340 -0.015 0.000 0.243 524 Q C 0.765 176.382 176.000 -0.638 0.000 1.154 524 Q CA -0.058 55.520 55.803 -0.376 0.000 0.899 524 Q CB 0.363 28.964 28.738 -0.228 0.000 1.396 524 Q HN 0.791 nan 8.270 nan 0.000 0.485 525 D N 0.947 121.117 120.400 -0.383 0.000 2.354 525 D HA -0.122 4.509 4.640 -0.015 0.000 0.216 525 D C 1.269 177.469 176.300 -0.167 0.000 0.970 525 D CA 1.082 54.925 54.000 -0.261 0.000 0.905 525 D CB 0.392 41.136 40.800 -0.093 0.000 0.903 525 D HN 0.496 nan 8.370 nan 0.000 0.508 526 S N -0.438 115.168 115.700 -0.157 0.000 2.603 526 S HA 0.020 4.481 4.470 -0.015 0.000 0.220 526 S C 0.719 175.291 174.600 -0.047 0.000 0.967 526 S CA -0.286 57.871 58.200 -0.071 0.000 0.920 526 S CB 0.265 63.433 63.200 -0.053 0.000 0.773 526 S HN 0.069 nan 8.310 nan 0.000 0.529 527 N N 0.711 119.343 118.700 -0.114 0.000 2.545 527 N HA 0.398 5.128 4.740 -0.015 0.000 0.289 527 N C 0.124 175.685 175.510 0.085 0.000 1.279 527 N CA -0.560 52.456 53.050 -0.058 0.000 0.824 527 N CB 0.789 39.178 38.487 -0.164 0.000 1.395 527 N HN 0.564 nan 8.380 nan 0.000 0.526 528 W N -1.702 119.648 121.300 0.084 0.000 2.592 528 W HA 0.550 5.200 4.660 -0.016 0.000 0.306 528 W C -0.942 175.689 176.519 0.186 0.000 0.991 528 W CA -0.340 57.090 57.345 0.142 0.000 1.430 528 W CB 0.325 29.839 29.460 0.089 0.000 1.017 528 W HN 0.395 nan 8.180 nan 0.000 0.557 529 A N 2.563 124.902 122.820 -0.801 0.000 2.409 529 A HA 0.607 4.917 4.320 -0.015 0.000 0.300 529 A C -0.201 177.223 177.584 -0.268 0.000 1.273 529 A CA -0.293 51.288 52.037 -0.759 0.000 0.774 529 A CB 0.632 18.737 19.000 -1.493 0.000 1.144 529 A HN 0.041 nan 8.150 nan 0.000 0.472 530 S N 1.226 116.973 115.700 0.078 0.000 2.624 530 S HA 0.358 4.819 4.470 -0.015 0.000 0.263 530 S C 0.254 174.913 174.600 0.098 0.000 1.287 530 S CA -0.571 57.718 58.200 0.148 0.000 0.990 530 S CB 0.922 64.298 63.200 0.294 0.000 0.950 530 S HN 0.713 nan 8.310 nan 0.000 0.561 531 K N 1.290 121.730 120.400 0.066 0.000 2.234 531 K HA 0.482 4.792 4.320 -0.015 0.000 0.277 531 K C -1.648 174.973 176.600 0.037 0.000 1.038 531 K CA -0.405 55.894 56.287 0.019 0.000 0.888 531 K CB 0.473 32.965 32.500 -0.012 0.000 1.091 531 K HN 0.370 nan 8.250 nan 0.000 0.467 532 V N 3.982 123.904 119.914 0.012 0.000 2.487 532 V HA 0.243 4.354 4.120 -0.015 0.000 0.298 532 V C -0.314 175.726 176.094 -0.090 0.000 1.028 532 V CA -0.894 61.398 62.300 -0.014 0.000 0.860 532 V CB 1.505 33.353 31.823 0.042 0.000 0.991 532 V HN 0.865 nan 8.190 nan 0.000 0.427 533 E N 2.927 123.059 120.200 -0.113 0.000 2.318 533 E HA 0.419 4.760 4.350 -0.015 0.000 0.265 533 E C -0.420 176.062 176.600 -0.196 0.000 1.069 533 E CA -0.688 55.629 56.400 -0.139 0.000 0.893 533 E CB 1.085 30.708 29.700 -0.128 0.000 1.076 533 E HN 0.542 nan 8.360 nan 0.000 0.414 534 K N 2.029 122.309 120.400 -0.199 0.000 2.185 534 K HA 0.200 4.511 4.320 -0.015 0.000 0.271 534 K C -0.556 175.922 176.600 -0.204 0.000 1.013 534 K CA -0.687 55.445 56.287 -0.257 0.000 0.943 534 K CB 0.570 32.969 32.500 -0.167 0.000 0.998 534 K HN 0.304 nan 8.250 nan 0.000 0.468 535 L N 2.823 123.932 121.223 -0.190 0.000 2.416 535 L HA 0.127 4.457 4.340 -0.015 0.000 0.272 535 L C 0.662 177.420 176.870 -0.187 0.000 1.161 535 L CA 0.334 55.116 54.840 -0.096 0.000 0.845 535 L CB 0.282 42.379 42.059 0.063 0.000 1.119 535 L HN 0.809 nan 8.230 nan 0.000 0.464 536 T N 0.002 114.389 114.554 -0.278 0.000 2.929 536 T HA 0.267 4.608 4.350 -0.015 0.000 0.284 536 T C 1.343 175.591 174.700 -0.752 0.000 1.014 536 T CA -0.904 60.905 62.100 -0.484 0.000 1.051 536 T CB 1.765 70.442 68.868 -0.317 0.000 1.028 536 T HN 0.340 nan 8.240 nan 0.000 0.485 537 L N 1.441 122.060 121.223 -1.006 0.000 2.270 537 L HA -0.111 4.220 4.340 -0.015 0.000 0.217 537 L C 1.367 177.986 176.870 -0.418 0.000 1.107 537 L CA 2.050 56.319 54.840 -0.951 0.000 0.772 537 L CB -1.037 40.645 42.059 -0.630 0.000 0.902 537 L HN 0.925 nan 8.230 nan 0.000 0.439 538 D N -1.762 118.452 120.400 -0.309 0.000 2.722 538 D HA -0.016 4.614 4.640 -0.015 0.000 0.239 538 D C 0.101 176.359 176.300 -0.069 0.000 1.249 538 D CA -0.184 53.721 54.000 -0.157 0.000 0.830 538 D CB -0.442 40.274 40.800 -0.141 0.000 1.025 538 D HN 0.390 nan 8.370 nan 0.000 0.486 539 N N -0.138 118.544 118.700 -0.030 0.000 2.480 539 N HA 0.343 5.074 4.740 -0.015 0.000 0.289 539 N C 0.922 176.509 175.510 0.128 0.000 1.073 539 N CA -0.452 52.620 53.050 0.037 0.000 0.885 539 N CB 1.590 40.080 38.487 0.005 0.000 1.421 539 N HN -0.031 nan 8.380 nan 0.000 0.503 540 A N 3.082 125.976 122.820 0.123 0.000 2.023 540 A HA -0.273 4.038 4.320 -0.015 0.000 0.223 540 A C 2.077 179.795 177.584 0.224 0.000 1.180 540 A CA 2.420 54.535 52.037 0.129 0.000 0.659 540 A CB -0.740 18.327 19.000 0.112 0.000 0.817 540 A HN 0.774 nan 8.150 nan 0.000 0.466 541 A N -1.525 121.465 122.820 0.283 0.000 1.930 541 A HA 0.043 4.354 4.320 -0.015 0.000 0.217 541 A C 1.942 179.692 177.584 0.277 0.000 1.175 541 A CA 1.456 53.699 52.037 0.343 0.000 0.627 541 A CB -0.649 18.480 19.000 0.215 0.000 0.815 541 A HN 0.736 nan 8.150 nan 0.000 0.443 542 F N 1.559 121.545 119.950 0.060 0.000 2.065 542 F HA -0.124 4.394 4.527 -0.015 0.000 0.298 542 F C -0.700 175.146 175.800 0.077 0.000 1.112 542 F CA 2.161 60.156 58.000 -0.009 0.000 1.212 542 F CB -1.325 37.592 39.000 -0.138 0.000 0.975 542 F HN 0.160 nan 8.300 nan 0.000 0.476 543 P HA -0.184 nan 4.420 nan 0.000 0.215 543 P C 1.803 179.144 177.300 0.067 0.000 1.157 543 P CA 1.782 64.909 63.100 0.045 0.000 0.868 543 P CB -0.296 31.454 31.700 0.084 0.000 0.788 544 F N -1.049 118.858 119.950 -0.073 0.000 2.120 544 F HA -0.195 4.324 4.527 -0.014 0.000 0.300 544 F C 2.139 177.956 175.800 0.027 0.000 1.095 544 F CA 1.423 59.392 58.000 -0.053 0.000 1.249 544 F CB -1.017 37.879 39.000 -0.173 0.000 0.995 544 F HN -0.113 nan 8.300 nan 0.000 0.480 545 L N -0.501 120.823 121.223 0.169 0.000 2.145 545 L HA 0.252 4.583 4.340 -0.015 0.000 0.201 545 L C 2.160 179.020 176.870 -0.017 0.000 1.075 545 L CA 1.778 56.663 54.840 0.076 0.000 0.773 545 L CB -1.113 40.963 42.059 0.029 0.000 0.936 545 L HN -0.054 nan 8.230 nan 0.000 0.451 546 A N -2.036 120.675 122.820 -0.183 0.000 2.119 546 A HA -0.098 4.213 4.320 -0.015 0.000 0.216 546 A C 1.957 179.672 177.584 0.218 0.000 1.152 546 A CA 1.397 53.362 52.037 -0.120 0.000 0.708 546 A CB -0.607 17.866 19.000 -0.879 0.000 0.805 546 A HN 0.664 nan 8.150 nan 0.000 0.460 547 Y N -1.185 119.153 120.300 0.062 0.000 2.664 547 Y HA 0.204 4.744 4.550 -0.016 0.000 0.278 547 Y C 2.101 178.029 175.900 0.046 0.000 1.130 547 Y CA 1.114 59.250 58.100 0.060 0.000 1.260 547 Y CB 0.281 38.736 38.460 -0.008 0.000 1.369 547 Y HN 0.153 nan 8.280 nan 0.000 0.499 548 S N -0.254 115.417 115.700 -0.048 0.000 2.548 548 S HA 0.227 4.688 4.470 -0.015 0.000 0.215 548 S C 1.242 175.918 174.600 0.127 0.000 0.976 548 S CA 0.608 58.745 58.200 -0.106 0.000 0.908 548 S CB -0.013 63.109 63.200 -0.130 0.000 0.781 548 S HN 0.803 nan 8.310 nan 0.000 0.519 549 G N 2.124 111.033 108.800 0.182 0.000 2.246 549 G HA2 -0.203 3.748 3.960 -0.015 0.000 0.273 549 G HA3 -0.203 3.748 3.960 -0.015 0.000 0.273 549 G C -0.189 174.883 174.900 0.286 0.000 1.055 549 G CA -0.215 45.055 45.100 0.284 0.000 0.851 549 G HN 0.403 nan 8.290 nan 0.000 0.500 550 I N 1.381 122.110 120.570 0.265 0.000 2.354 550 I HA 0.339 4.500 4.170 -0.015 0.000 0.292 550 I C -1.822 174.467 176.117 0.287 0.000 0.989 550 I CA -3.153 58.332 61.300 0.309 0.000 1.188 550 I CB 1.295 39.546 38.000 0.419 0.000 1.342 550 I HN -0.065 nan 8.210 nan 0.000 0.457 551 P HA 0.240 nan 4.420 nan 0.000 0.271 551 P C -0.899 176.509 177.300 0.180 0.000 1.220 551 P CA -0.161 63.067 63.100 0.213 0.000 0.768 551 P CB 1.266 33.100 31.700 0.224 0.000 0.848 552 A N 3.482 126.374 122.820 0.121 0.000 2.422 552 A HA 0.552 4.862 4.320 -0.015 0.000 0.302 552 A C -0.870 176.718 177.584 0.006 0.000 1.041 552 A CA -0.755 51.340 52.037 0.097 0.000 0.708 552 A CB 1.795 20.929 19.000 0.222 0.000 1.257 552 A HN 0.416 nan 8.150 nan 0.000 0.414 553 V N 1.402 121.300 119.914 -0.027 0.000 3.096 553 V HA 0.914 5.024 4.120 -0.015 0.000 0.319 553 V C 0.125 176.187 176.094 -0.053 0.000 1.082 553 V CA 0.317 62.609 62.300 -0.013 0.000 1.022 553 V CB 2.145 34.011 31.823 0.071 0.000 1.103 553 V HN 1.531 nan 8.190 nan 0.000 0.455 554 S N 3.237 118.904 115.700 -0.056 0.000 2.441 554 S HA 0.352 4.813 4.470 -0.015 0.000 0.187 554 S C -0.911 173.553 174.600 -0.227 0.000 0.917 554 S CA -0.705 57.369 58.200 -0.210 0.000 1.078 554 S CB -0.169 62.935 63.200 -0.159 0.000 1.379 554 S HN 0.902 nan 8.310 nan 0.000 0.399 555 F N 1.508 121.374 119.950 -0.140 0.000 2.368 555 F HA 0.899 5.417 4.527 -0.015 0.000 0.315 555 F C 0.289 175.901 175.800 -0.314 0.000 1.145 555 F CA -1.305 56.494 58.000 -0.336 0.000 1.095 555 F CB 0.333 39.110 39.000 -0.372 0.000 1.286 555 F HN 0.455 nan 8.300 nan 0.000 0.530 556 C N 2.564 121.753 119.300 -0.185 0.000 2.832 556 C HA 0.427 4.878 4.460 -0.015 0.000 0.383 556 C C -0.684 174.247 174.990 -0.098 0.000 1.046 556 C CA -1.100 57.873 59.018 -0.076 0.000 1.242 556 C CB -0.547 27.126 27.740 -0.112 0.000 1.693 556 C HN 0.825 nan 8.230 nan 0.000 0.497 557 F N 4.663 124.703 119.950 0.151 0.000 2.859 557 F HA 0.228 4.745 4.527 -0.015 0.000 0.315 557 F C 1.697 177.551 175.800 0.089 0.000 1.207 557 F CA 0.011 58.117 58.000 0.177 0.000 1.370 557 F CB -0.330 38.753 39.000 0.139 0.000 1.314 557 F HN 0.674 nan 8.300 nan 0.000 0.555 558 C N 0.689 120.072 119.300 0.140 0.000 2.883 558 C HA 0.022 4.473 4.460 -0.015 0.000 0.347 558 C C 0.766 175.822 174.990 0.109 0.000 1.361 558 C CA -0.072 58.999 59.018 0.088 0.000 2.102 558 C CB 0.109 27.851 27.740 0.004 0.000 2.496 558 C HN 0.442 nan 8.230 nan 0.000 0.758 559 E N -0.264 119.977 120.200 0.068 0.000 2.416 559 E HA 0.206 4.546 4.350 -0.015 0.000 0.273 559 E C 0.057 176.666 176.600 0.015 0.000 0.935 559 E CA -0.433 56.001 56.400 0.057 0.000 0.784 559 E CB 1.149 30.881 29.700 0.053 0.000 1.301 559 E HN 0.512 nan 8.360 nan 0.000 0.454 560 D N -0.027 120.378 120.400 0.008 0.000 2.182 560 D HA -0.081 4.550 4.640 -0.015 0.000 0.201 560 D C -0.018 176.255 176.300 -0.045 0.000 0.986 560 D CA 1.476 55.468 54.000 -0.013 0.000 0.847 560 D CB 0.200 40.995 40.800 -0.007 0.000 0.942 560 D HN 0.130 nan 8.370 nan 0.000 0.467 561 T N 1.082 115.601 114.554 -0.059 0.000 2.797 561 T HA 0.307 4.648 4.350 -0.015 0.000 0.279 561 T C -0.825 173.807 174.700 -0.112 0.000 0.991 561 T CA -1.024 61.004 62.100 -0.119 0.000 0.979 561 T CB 1.453 70.232 68.868 -0.148 0.000 0.943 561 T HN 0.019 nan 8.240 nan 0.000 0.444 562 D N 1.159 121.470 120.400 -0.149 0.000 2.414 562 D HA 0.032 4.662 4.640 -0.015 0.000 0.242 562 D C -0.135 176.152 176.300 -0.022 0.000 1.129 562 D CA -0.473 53.490 54.000 -0.062 0.000 0.885 562 D CB 0.199 40.965 40.800 -0.056 0.000 1.198 562 D HN 0.460 nan 8.370 nan 0.000 0.437 563 Y N 2.667 122.930 120.300 -0.062 0.000 2.895 563 Y HA -0.032 4.509 4.550 -0.015 0.000 0.334 563 Y C -1.106 174.798 175.900 0.006 0.000 1.261 563 Y CA -0.851 57.208 58.100 -0.068 0.000 1.560 563 Y CB 0.636 39.084 38.460 -0.019 0.000 1.253 563 Y HN 0.396 nan 8.280 nan 0.000 0.582 564 P HA -0.168 nan 4.420 nan 0.000 0.215 564 P C 0.963 178.416 177.300 0.256 0.000 1.160 564 P CA 1.677 64.858 63.100 0.135 0.000 0.869 564 P CB -0.083 31.596 31.700 -0.035 0.000 0.782 565 Y N -0.684 119.652 120.300 0.059 0.000 2.651 565 Y HA -0.130 4.410 4.550 -0.016 0.000 0.296 565 Y C 2.499 178.617 175.900 0.363 0.000 1.150 565 Y CA -0.921 57.300 58.100 0.201 0.000 1.348 565 Y CB -0.861 37.713 38.460 0.191 0.000 0.983 565 Y HN -0.142 nan 8.280 nan 0.000 0.555 566 L N 0.763 122.344 121.223 0.596 0.000 2.013 566 L HA -0.267 4.063 4.340 -0.015 0.000 0.239 566 L C 2.346 179.428 176.870 0.354 0.000 1.100 566 L CA 2.402 57.505 54.840 0.438 0.000 0.826 566 L CB -1.179 41.087 42.059 0.346 0.000 0.921 566 L HN 0.240 nan 8.230 nan 0.000 0.445 567 G N -2.374 106.616 108.800 0.317 0.000 3.279 567 G HA2 0.169 4.119 3.960 -0.015 0.000 0.230 567 G HA3 0.169 4.119 3.960 -0.015 0.000 0.230 567 G C 0.359 175.534 174.900 0.458 0.000 1.230 567 G CA 0.699 46.002 45.100 0.339 0.000 0.891 567 G HN 0.415 nan 8.290 nan 0.000 0.518 568 T N -1.711 113.130 114.554 0.479 0.000 2.907 568 T HA 0.380 4.721 4.350 -0.015 0.000 0.290 568 T C 1.793 176.761 174.700 0.447 0.000 1.066 568 T CA 0.376 62.807 62.100 0.553 0.000 1.012 568 T CB 1.351 70.478 68.868 0.431 0.000 1.184 568 T HN 0.081 nan 8.240 nan 0.000 0.522 569 T N 0.812 115.590 114.554 0.372 0.000 3.118 569 T HA -0.038 4.302 4.350 -0.015 0.000 0.269 569 T C 1.496 176.256 174.700 0.100 0.000 1.166 569 T CA 1.013 63.196 62.100 0.138 0.000 1.073 569 T CB -0.463 68.421 68.868 0.026 0.000 0.884 569 T HN 0.540 nan 8.240 nan 0.000 0.550 570 M N 0.886 120.561 119.600 0.125 0.000 2.428 570 M HA 0.181 4.651 4.480 -0.015 0.000 0.239 570 M C 0.811 177.190 176.300 0.131 0.000 1.121 570 M CA 0.078 55.367 55.300 -0.019 0.000 1.019 570 M CB 0.258 32.676 32.600 -0.304 0.000 1.485 570 M HN -0.045 nan 8.290 nan 0.000 0.484 571 D N 2.115 122.684 120.400 0.283 0.000 2.948 571 D HA -0.021 4.610 4.640 -0.015 0.000 0.241 571 D C -0.138 176.319 176.300 0.261 0.000 1.198 571 D CA 0.215 54.437 54.000 0.370 0.000 0.926 571 D CB -0.184 40.805 40.800 0.316 0.000 1.151 571 D HN 0.307 nan 8.370 nan 0.000 0.441 572 T N -2.616 112.071 114.554 0.222 0.000 2.904 572 T HA 0.037 4.378 4.350 -0.015 0.000 0.290 572 T C 1.259 176.089 174.700 0.217 0.000 1.018 572 T CA -0.776 61.436 62.100 0.186 0.000 1.075 572 T CB 0.999 69.942 68.868 0.125 0.000 0.986 572 T HN 0.193 nan 8.240 nan 0.000 0.523 573 Y N 1.813 122.180 120.300 0.113 0.000 2.403 573 Y HA -0.030 4.510 4.550 -0.016 0.000 0.291 573 Y C 2.129 178.097 175.900 0.114 0.000 1.143 573 Y CA 1.359 59.523 58.100 0.107 0.000 1.257 573 Y CB -0.229 38.278 38.460 0.080 0.000 0.984 573 Y HN 0.672 nan 8.280 nan 0.000 0.550 574 K N -0.061 120.376 120.400 0.062 0.000 1.974 574 K HA -0.122 4.189 4.320 -0.015 0.000 0.211 574 K C 1.898 178.493 176.600 -0.007 0.000 1.039 574 K CA 1.198 57.479 56.287 -0.011 0.000 0.947 574 K CB -0.242 32.307 32.500 0.081 0.000 0.735 574 K HN 0.132 nan 8.250 nan 0.000 0.441 575 E N 1.297 121.547 120.200 0.084 0.000 2.284 575 E HA -0.212 4.129 4.350 -0.015 0.000 0.200 575 E C 1.873 178.622 176.600 0.247 0.000 1.008 575 E CA 0.768 57.274 56.400 0.177 0.000 0.829 575 E CB -0.195 29.611 29.700 0.177 0.000 0.744 575 E HN 0.160 nan 8.360 nan 0.000 0.491 576 L N 0.486 121.823 121.223 0.191 0.000 1.982 576 L HA -0.008 4.323 4.340 -0.015 0.000 0.206 576 L C 2.297 179.188 176.870 0.035 0.000 1.078 576 L CA 1.340 56.304 54.840 0.207 0.000 0.749 576 L CB -0.612 41.516 42.059 0.116 0.000 0.894 576 L HN 0.068 nan 8.230 nan 0.000 0.436 577 I N -0.544 119.923 120.570 -0.173 0.000 2.657 577 I HA -0.273 3.888 4.170 -0.015 0.000 0.261 577 I C 2.235 178.308 176.117 -0.073 0.000 1.212 577 I CA 1.288 62.477 61.300 -0.186 0.000 1.453 577 I CB -0.108 37.642 38.000 -0.416 0.000 1.092 577 I HN 0.576 nan 8.210 nan 0.000 0.452 578 E N 0.647 120.829 120.200 -0.030 0.000 2.285 578 E HA -0.126 4.215 4.350 -0.015 0.000 0.194 578 E C 1.688 178.304 176.600 0.027 0.000 0.997 578 E CA 0.401 56.807 56.400 0.011 0.000 0.845 578 E CB 0.223 29.946 29.700 0.039 0.000 0.782 578 E HN 0.477 nan 8.360 nan 0.000 0.491 579 R N -0.226 120.298 120.500 0.041 0.000 2.432 579 R HA 0.317 4.647 4.340 -0.015 0.000 0.260 579 R C 0.528 176.853 176.300 0.042 0.000 0.935 579 R CA 0.041 56.160 56.100 0.032 0.000 1.080 579 R CB 0.850 31.152 30.300 0.004 0.000 1.155 579 R HN 0.075 nan 8.270 nan 0.000 0.531 580 I N 0.043 120.633 120.570 0.033 0.000 2.719 580 I HA 0.158 4.319 4.170 -0.015 0.000 0.319 580 I C -2.305 173.816 176.117 0.006 0.000 1.522 580 I CA -1.699 59.619 61.300 0.030 0.000 0.785 580 I CB 1.225 39.258 38.000 0.055 0.000 2.022 580 I HN -0.140 nan 8.210 nan 0.000 0.579 581 P HA -0.277 nan 4.420 nan 0.000 0.233 581 P C 0.622 177.919 177.300 -0.004 0.000 1.141 581 P CA 1.840 64.938 63.100 -0.004 0.000 0.951 581 P CB -0.006 31.694 31.700 -0.000 0.000 0.778 582 E N -0.510 119.686 120.200 -0.006 0.000 2.349 582 E HA 0.044 4.385 4.350 -0.015 0.000 0.201 582 E C 1.393 177.985 176.600 -0.012 0.000 1.087 582 E CA -0.329 56.064 56.400 -0.012 0.000 1.128 582 E CB -0.839 28.847 29.700 -0.023 0.000 1.188 582 E HN 0.174 nan 8.360 nan 0.000 0.445 583 L N 1.381 122.606 121.223 0.004 0.000 2.151 583 L HA -0.303 4.027 4.340 -0.015 0.000 0.215 583 L C 1.769 178.670 176.870 0.053 0.000 1.084 583 L CA 2.206 57.059 54.840 0.022 0.000 0.764 583 L CB -0.839 41.241 42.059 0.035 0.000 0.891 583 L HN 0.211 nan 8.230 nan 0.000 0.435 584 N N -0.788 117.944 118.700 0.053 0.000 2.062 584 N HA -0.196 4.535 4.740 -0.015 0.000 0.191 584 N C 1.832 177.346 175.510 0.007 0.000 1.042 584 N CA 1.429 54.514 53.050 0.058 0.000 0.845 584 N CB -0.079 38.412 38.487 0.007 0.000 1.024 584 N HN 0.158 nan 8.380 nan 0.000 0.424 585 K N 0.316 120.687 120.400 -0.047 0.000 2.044 585 K HA -0.090 4.221 4.320 -0.015 0.000 0.210 585 K C 2.027 178.556 176.600 -0.118 0.000 1.049 585 K CA 0.891 57.127 56.287 -0.086 0.000 0.927 585 K CB -0.845 31.604 32.500 -0.086 0.000 0.713 585 K HN 0.129 nan 8.250 nan 0.000 0.443 586 V N 1.501 121.321 119.914 -0.157 0.000 2.233 586 V HA -0.286 3.824 4.120 -0.015 0.000 0.247 586 V C 2.526 178.486 176.094 -0.223 0.000 1.050 586 V CA 2.196 64.284 62.300 -0.353 0.000 1.010 586 V CB -1.055 30.586 31.823 -0.303 0.000 0.637 586 V HN 0.328 nan 8.190 nan 0.000 0.444 587 A N 0.352 123.180 122.820 0.014 0.000 1.948 587 A HA -0.312 3.999 4.320 -0.015 0.000 0.220 587 A C 2.414 180.203 177.584 0.342 0.000 1.177 587 A CA 2.306 54.449 52.037 0.177 0.000 0.636 587 A CB -0.689 18.480 19.000 0.282 0.000 0.815 587 A HN 0.455 nan 8.150 nan 0.000 0.449 588 R N 0.167 120.899 120.500 0.387 0.000 2.080 588 R HA -0.157 4.173 4.340 -0.015 0.000 0.236 588 R C 2.259 178.674 176.300 0.191 0.000 1.137 588 R CA 2.039 58.362 56.100 0.371 0.000 0.943 588 R CB -0.983 29.292 30.300 -0.041 0.000 0.846 588 R HN 0.429 nan 8.270 nan 0.000 0.431 589 A N 1.035 123.869 122.820 0.023 0.000 1.865 589 A HA -0.137 4.174 4.320 -0.015 0.000 0.217 589 A C 2.520 180.171 177.584 0.111 0.000 1.191 589 A CA 2.408 54.451 52.037 0.011 0.000 0.623 589 A CB -1.051 17.889 19.000 -0.099 0.000 0.826 589 A HN 0.568 nan 8.150 nan 0.000 0.444 590 A N -0.253 122.724 122.820 0.262 0.000 1.917 590 A HA 0.057 4.368 4.320 -0.015 0.000 0.219 590 A C 2.474 180.131 177.584 0.123 0.000 1.182 590 A CA 2.456 54.657 52.037 0.273 0.000 0.633 590 A CB -1.064 18.249 19.000 0.521 0.000 0.819 590 A HN 1.243 nan 8.150 nan 0.000 0.448 591 A N -0.844 122.069 122.820 0.155 0.000 2.067 591 A HA -0.076 4.234 4.320 -0.015 0.000 0.219 591 A C 1.941 179.592 177.584 0.111 0.000 1.158 591 A CA 1.693 53.808 52.037 0.130 0.000 0.661 591 A CB -0.374 18.708 19.000 0.137 0.000 0.801 591 A HN 0.733 nan 8.150 nan 0.000 0.452 592 E N 0.104 120.333 120.200 0.047 0.000 2.060 592 E HA -0.100 4.241 4.350 -0.015 0.000 0.189 592 E C 1.985 178.528 176.600 -0.094 0.000 0.974 592 E CA 1.333 57.730 56.400 -0.005 0.000 0.808 592 E CB -0.163 29.521 29.700 -0.027 0.000 0.768 592 E HN 0.453 nan 8.360 nan 0.000 0.453 593 V N -0.406 119.336 119.914 -0.287 0.000 2.407 593 V HA -0.139 3.971 4.120 -0.015 0.000 0.248 593 V C 2.333 177.982 176.094 -0.741 0.000 1.055 593 V CA 1.772 63.735 62.300 -0.561 0.000 1.049 593 V CB -1.072 30.217 31.823 -0.890 0.000 0.662 593 V HN 0.325 nan 8.190 nan 0.000 0.455 594 A N 1.263 123.836 122.820 -0.410 0.000 1.933 594 A HA 0.080 4.391 4.320 -0.015 0.000 0.218 594 A C 2.390 180.025 177.584 0.086 0.000 1.175 594 A CA 1.959 53.967 52.037 -0.049 0.000 0.628 594 A CB -1.485 17.681 19.000 0.277 0.000 0.814 594 A HN 0.720 nan 8.150 nan 0.000 0.444 595 G N -0.971 107.933 108.800 0.174 0.000 2.414 595 G HA2 -0.226 3.725 3.960 -0.015 0.000 0.215 595 G HA3 -0.226 3.725 3.960 -0.015 0.000 0.215 595 G C 1.612 176.777 174.900 0.442 0.000 1.188 595 G CA 0.941 46.302 45.100 0.436 0.000 0.783 595 G HN 0.596 nan 8.290 nan 0.000 0.537 596 Q N -0.700 119.282 119.800 0.305 0.000 2.096 596 Q HA -0.111 4.220 4.340 -0.015 0.000 0.204 596 Q C 2.425 178.726 176.000 0.502 0.000 0.982 596 Q CA 1.049 57.128 55.803 0.461 0.000 0.850 596 Q CB -0.274 28.744 28.738 0.466 0.000 0.901 596 Q HN 0.431 nan 8.270 nan 0.000 0.422 597 F N 0.155 120.220 119.950 0.191 0.000 2.063 597 F HA -0.250 4.267 4.527 -0.015 0.000 0.298 597 F C 2.373 178.250 175.800 0.129 0.000 1.109 597 F CA 0.865 58.941 58.000 0.127 0.000 1.212 597 F CB -1.216 37.852 39.000 0.114 0.000 0.973 597 F HN -0.096 nan 8.300 nan 0.000 0.480 598 V N 0.468 120.575 119.914 0.321 0.000 2.261 598 V HA -0.295 3.816 4.120 -0.015 0.000 0.246 598 V C 2.482 178.740 176.094 0.274 0.000 1.047 598 V CA 1.794 64.166 62.300 0.121 0.000 1.015 598 V CB -0.717 30.943 31.823 -0.271 0.000 0.642 598 V HN 0.242 nan 8.190 nan 0.000 0.446 599 I N -0.499 120.339 120.570 0.447 0.000 2.127 599 I HA -0.249 3.912 4.170 -0.015 0.000 0.241 599 I C 2.717 179.121 176.117 0.478 0.000 1.075 599 I CA 1.514 63.133 61.300 0.533 0.000 1.334 599 I CB -0.567 37.725 38.000 0.488 0.000 1.040 599 I HN 0.236 nan 8.210 nan 0.000 0.405 600 K N 0.976 121.603 120.400 0.378 0.000 2.032 600 K HA -0.119 4.191 4.320 -0.015 0.000 0.209 600 K C 1.996 178.691 176.600 0.158 0.000 1.048 600 K CA 1.488 57.883 56.287 0.180 0.000 0.927 600 K CB -0.700 31.804 32.500 0.008 0.000 0.712 600 K HN 0.364 nan 8.250 nan 0.000 0.441 601 L N 1.051 122.395 121.223 0.203 0.000 2.633 601 L HA -0.094 4.237 4.340 -0.015 0.000 0.235 601 L C 1.407 178.451 176.870 0.290 0.000 1.163 601 L CA 0.755 55.742 54.840 0.245 0.000 0.859 601 L CB -0.277 42.005 42.059 0.372 0.000 0.973 601 L HN 0.214 nan 8.230 nan 0.000 0.451 602 T N -4.277 110.447 114.554 0.283 0.000 3.115 602 T HA -0.052 4.289 4.350 -0.015 0.000 0.256 602 T C 1.602 176.466 174.700 0.274 0.000 0.970 602 T CA 0.054 62.319 62.100 0.276 0.000 1.010 602 T CB -0.159 68.891 68.868 0.302 0.000 1.151 602 T HN 0.355 nan 8.240 nan 0.000 0.479 603 H N 2.298 121.545 119.070 0.295 0.000 2.278 603 H HA -0.152 4.395 4.556 -0.015 0.000 0.287 603 H C -0.392 175.025 175.328 0.148 0.000 1.107 603 H CA 1.939 58.155 56.048 0.280 0.000 1.192 603 H CB -0.246 29.692 29.762 0.293 0.000 1.346 603 H HN 0.352 nan 8.280 nan 0.000 0.478 604 D N -0.377 119.811 120.400 -0.355 0.000 2.340 604 D HA 0.129 4.759 4.640 -0.015 0.000 0.251 604 D C 1.075 177.288 176.300 -0.144 0.000 1.080 604 D CA 0.152 53.917 54.000 -0.390 0.000 0.971 604 D CB 2.350 42.847 40.800 -0.506 0.000 1.137 604 D HN 0.112 nan 8.370 nan 0.000 0.475 605 V N 0.075 119.928 119.914 -0.102 0.000 2.719 605 V HA -0.078 4.033 4.120 -0.015 0.000 0.252 605 V C -0.140 175.929 176.094 -0.041 0.000 1.065 605 V CA 1.314 63.590 62.300 -0.039 0.000 1.086 605 V CB -0.408 31.413 31.823 -0.003 0.000 0.700 605 V HN 0.462 nan 8.190 nan 0.000 0.467 606 E N 1.742 121.885 120.200 -0.095 0.000 2.229 606 E HA 0.305 4.646 4.350 -0.015 0.000 0.283 606 E C -0.277 176.215 176.600 -0.179 0.000 1.030 606 E CA -0.343 55.976 56.400 -0.135 0.000 0.836 606 E CB 0.893 30.424 29.700 -0.280 0.000 1.068 606 E HN 0.147 nan 8.360 nan 0.000 0.401 607 L N 4.040 125.178 121.223 -0.142 0.000 2.485 607 L HA 0.112 4.443 4.340 -0.015 0.000 0.279 607 L C -0.684 176.076 176.870 -0.183 0.000 1.124 607 L CA 0.121 54.832 54.840 -0.215 0.000 0.888 607 L CB -0.306 41.620 42.059 -0.222 0.000 1.217 607 L HN 0.506 nan 8.230 nan 0.000 0.464 608 N N 7.284 125.876 118.700 -0.180 0.000 2.605 608 N HA 0.251 4.981 4.740 -0.015 0.000 0.258 608 N C -0.635 174.826 175.510 -0.081 0.000 1.156 608 N CA 0.074 53.033 53.050 -0.151 0.000 1.008 608 N CB 0.554 38.943 38.487 -0.163 0.000 1.354 608 N HN 0.562 nan 8.380 nan 0.000 0.509 609 L N 0.826 122.039 121.223 -0.016 0.000 2.386 609 L HA 0.318 4.649 4.340 -0.015 0.000 0.271 609 L C -0.181 176.705 176.870 0.027 0.000 0.993 609 L CA -0.904 53.967 54.840 0.052 0.000 0.819 609 L CB 2.088 44.237 42.059 0.149 0.000 1.294 609 L HN 0.106 nan 8.230 nan 0.000 0.414 610 D N 1.786 122.180 120.400 -0.011 0.000 2.662 610 D HA 0.014 4.644 4.640 -0.015 0.000 0.228 610 D C 0.860 177.148 176.300 -0.021 0.000 1.093 610 D CA 0.133 54.074 54.000 -0.099 0.000 1.075 610 D CB -0.052 40.726 40.800 -0.036 0.000 1.122 610 D HN 0.374 nan 8.370 nan 0.000 0.475 611 Y N -0.632 119.757 120.300 0.148 0.000 2.639 611 Y HA 0.005 4.546 4.550 -0.015 0.000 0.297 611 Y C 1.319 177.358 175.900 0.232 0.000 1.151 611 Y CA 0.286 58.533 58.100 0.244 0.000 1.335 611 Y CB -0.563 38.016 38.460 0.198 0.000 0.994 611 Y HN 0.153 nan 8.280 nan 0.000 0.548 612 E N 0.956 121.065 120.200 -0.151 0.000 2.051 612 E HA -0.132 4.209 4.350 -0.015 0.000 0.189 612 E C 1.766 178.374 176.600 0.013 0.000 0.979 612 E CA 0.873 57.225 56.400 -0.081 0.000 0.803 612 E CB -0.193 29.384 29.700 -0.205 0.000 0.761 612 E HN 0.487 nan 8.360 nan 0.000 0.451 613 E N 0.418 120.598 120.200 -0.033 0.000 2.352 613 E HA -0.222 4.119 4.350 -0.015 0.000 0.203 613 E C 1.460 177.967 176.600 -0.155 0.000 1.024 613 E CA 1.073 57.416 56.400 -0.094 0.000 0.842 613 E CB -0.220 29.394 29.700 -0.144 0.000 0.753 613 E HN 0.481 nan 8.360 nan 0.000 0.508 614 Y N 0.649 120.953 120.300 0.007 0.000 2.475 614 Y HA -0.018 4.523 4.550 -0.015 0.000 0.289 614 Y C 2.189 178.092 175.900 0.005 0.000 1.121 614 Y CA 0.370 58.410 58.100 -0.099 0.000 1.257 614 Y CB 0.181 38.593 38.460 -0.080 0.000 1.026 614 Y HN 0.023 nan 8.280 nan 0.000 0.555 615 N N -0.497 118.343 118.700 0.233 0.000 2.106 615 N HA -0.156 4.575 4.740 -0.015 0.000 0.188 615 N C 1.914 177.543 175.510 0.198 0.000 1.029 615 N CA 1.649 54.839 53.050 0.233 0.000 0.848 615 N CB -0.336 38.158 38.487 0.010 0.000 1.007 615 N HN 0.201 nan 8.380 nan 0.000 0.423 616 S N 1.350 117.119 115.700 0.114 0.000 2.343 616 S HA -0.115 4.345 4.470 -0.015 0.000 0.219 616 S C 1.832 176.489 174.600 0.094 0.000 1.033 616 S CA 0.925 59.184 58.200 0.098 0.000 1.014 616 S CB -0.338 62.883 63.200 0.036 0.000 0.915 616 S HN 0.311 nan 8.310 nan 0.000 0.435 617 Q N 0.334 120.146 119.800 0.020 0.000 2.217 617 Q HA -0.092 4.239 4.340 -0.015 0.000 0.209 617 Q C 2.123 178.287 176.000 0.273 0.000 0.988 617 Q CA 1.031 56.873 55.803 0.066 0.000 0.878 617 Q CB -0.582 28.006 28.738 -0.251 0.000 0.909 617 Q HN 0.359 nan 8.270 nan 0.000 0.424 618 L N -0.037 121.333 121.223 0.246 0.000 2.162 618 L HA -0.020 4.310 4.340 -0.015 0.000 0.205 618 L C 2.163 179.181 176.870 0.248 0.000 1.086 618 L CA 1.010 56.025 54.840 0.291 0.000 0.778 618 L CB -0.742 41.454 42.059 0.229 0.000 0.928 618 L HN 0.231 nan 8.230 nan 0.000 0.446 619 L N -1.813 119.533 121.223 0.204 0.000 2.056 619 L HA -0.166 4.165 4.340 -0.015 0.000 0.207 619 L C 2.563 179.501 176.870 0.115 0.000 1.078 619 L CA 1.716 56.647 54.840 0.151 0.000 0.749 619 L CB -0.437 41.719 42.059 0.163 0.000 0.901 619 L HN 0.281 nan 8.230 nan 0.000 0.433 620 S N -0.604 115.178 115.700 0.137 0.000 2.374 620 S HA -0.278 4.182 4.470 -0.015 0.000 0.227 620 S C 1.877 176.552 174.600 0.124 0.000 1.037 620 S CA 1.772 60.042 58.200 0.117 0.000 1.024 620 S CB -0.672 62.603 63.200 0.125 0.000 0.861 620 S HN 0.616 nan 8.310 nan 0.000 0.456 621 F N 2.533 122.477 119.950 -0.010 0.000 2.026 621 F HA -0.110 4.408 4.527 -0.015 0.000 0.296 621 F C 2.153 177.917 175.800 -0.061 0.000 1.133 621 F CA 1.894 59.853 58.000 -0.068 0.000 1.188 621 F CB -1.142 37.765 39.000 -0.155 0.000 0.968 621 F HN 0.063 nan 8.300 nan 0.000 0.476 622 V N 1.676 121.427 119.914 -0.271 0.000 2.313 622 V HA -0.384 3.727 4.120 -0.015 0.000 0.253 622 V C 2.721 178.634 176.094 -0.302 0.000 1.070 622 V CA 2.242 64.274 62.300 -0.446 0.000 1.057 622 V CB -0.919 30.719 31.823 -0.308 0.000 0.653 622 V HN 0.311 nan 8.190 nan 0.000 0.450 623 R N 0.063 120.483 120.500 -0.133 0.000 2.096 623 R HA -0.175 4.156 4.340 -0.015 0.000 0.229 623 R C 2.179 178.444 176.300 -0.058 0.000 1.134 623 R CA 1.917 57.981 56.100 -0.059 0.000 0.917 623 R CB -1.429 28.870 30.300 -0.001 0.000 0.832 623 R HN 0.558 nan 8.270 nan 0.000 0.430 624 D N 0.881 121.262 120.400 -0.032 0.000 2.203 624 D HA -0.179 4.452 4.640 -0.015 0.000 0.199 624 D C 1.839 178.191 176.300 0.086 0.000 0.997 624 D CA 0.850 54.873 54.000 0.038 0.000 0.863 624 D CB -0.054 40.791 40.800 0.075 0.000 0.928 624 D HN 0.054 nan 8.370 nan 0.000 0.458 625 L N 0.861 122.006 121.223 -0.130 0.000 2.093 625 L HA -0.038 4.293 4.340 -0.015 0.000 0.208 625 L C 1.580 178.500 176.870 0.083 0.000 1.085 625 L CA 1.424 56.198 54.840 -0.110 0.000 0.755 625 L CB -0.763 40.964 42.059 -0.553 0.000 0.904 625 L HN -0.052 nan 8.230 nan 0.000 0.435 626 N N -0.154 118.541 118.700 -0.009 0.000 2.520 626 N HA -0.142 4.589 4.740 -0.015 0.000 0.185 626 N C 1.423 176.928 175.510 -0.008 0.000 1.068 626 N CA 0.632 53.698 53.050 0.027 0.000 0.911 626 N CB -0.126 38.376 38.487 0.025 0.000 0.961 626 N HN 0.616 nan 8.380 nan 0.000 0.446 627 Q N -0.743 119.018 119.800 -0.065 0.000 2.482 627 Q HA -0.040 4.291 4.340 -0.015 0.000 0.209 627 Q C 0.161 175.817 176.000 -0.573 0.000 0.961 627 Q CA 0.677 56.287 55.803 -0.322 0.000 0.945 627 Q CB 0.101 28.572 28.738 -0.446 0.000 1.012 627 Q HN 0.541 nan 8.270 nan 0.000 0.515 628 Y N -1.534 118.730 120.300 -0.060 0.000 2.682 628 Y HA 0.263 4.804 4.550 -0.015 0.000 0.251 628 Y C 1.561 177.427 175.900 -0.056 0.000 1.172 628 Y CA -0.599 57.454 58.100 -0.079 0.000 1.186 628 Y CB 0.261 38.655 38.460 -0.109 0.000 1.216 628 Y HN -0.070 nan 8.280 nan 0.000 0.540 629 R N 0.842 121.380 120.500 0.063 0.000 2.211 629 R HA -0.222 4.109 4.340 -0.015 0.000 0.240 629 R C 2.095 178.416 176.300 0.035 0.000 1.144 629 R CA 1.239 57.376 56.100 0.062 0.000 0.992 629 R CB -0.029 30.297 30.300 0.043 0.000 0.869 629 R HN 0.454 nan 8.270 nan 0.000 0.462 630 A N 0.954 123.775 122.820 0.002 0.000 1.841 630 A HA -0.173 4.138 4.320 -0.015 0.000 0.214 630 A C 1.694 179.271 177.584 -0.012 0.000 1.195 630 A CA 1.673 53.702 52.037 -0.014 0.000 0.611 630 A CB -0.497 18.478 19.000 -0.042 0.000 0.835 630 A HN 0.296 nan 8.150 nan 0.000 0.443 631 D N 0.147 120.532 120.400 -0.024 0.000 2.123 631 D HA -0.140 4.491 4.640 -0.015 0.000 0.196 631 D C 1.911 178.186 176.300 -0.041 0.000 0.992 631 D CA 1.240 55.194 54.000 -0.076 0.000 0.833 631 D CB -0.288 40.417 40.800 -0.159 0.000 0.954 631 D HN 0.302 nan 8.370 nan 0.000 0.455 632 I N 1.142 121.724 120.570 0.020 0.000 2.423 632 I HA -0.208 3.953 4.170 -0.015 0.000 0.254 632 I C 2.288 178.460 176.117 0.092 0.000 1.151 632 I CA 1.016 62.374 61.300 0.097 0.000 1.421 632 I CB -0.710 37.380 38.000 0.150 0.000 1.079 632 I HN -0.048 nan 8.210 nan 0.000 0.431 633 K N 1.113 121.547 120.400 0.056 0.000 2.098 633 K HA -0.079 4.232 4.320 -0.015 0.000 0.203 633 K C 1.889 178.514 176.600 0.041 0.000 1.051 633 K CA 0.883 57.199 56.287 0.049 0.000 0.957 633 K CB -0.032 32.486 32.500 0.029 0.000 0.738 633 K HN 0.344 nan 8.250 nan 0.000 0.447 634 E N 0.132 120.345 120.200 0.022 0.000 2.130 634 E HA -0.142 4.199 4.350 -0.015 0.000 0.196 634 E C 0.466 177.093 176.600 0.044 0.000 0.998 634 E CA 0.868 57.280 56.400 0.020 0.000 0.806 634 E CB -0.018 29.680 29.700 -0.004 0.000 0.738 634 E HN 0.266 nan 8.360 nan 0.000 0.459 635 M N -0.440 119.198 119.600 0.063 0.000 2.274 635 M HA 0.147 4.617 4.480 -0.015 0.000 0.344 635 M C 1.345 177.710 176.300 0.108 0.000 1.161 635 M CA -0.145 55.217 55.300 0.103 0.000 1.126 635 M CB 1.260 33.953 32.600 0.154 0.000 1.522 635 M HN -0.010 nan 8.290 nan 0.000 0.461 636 G N 2.706 111.571 108.800 0.108 0.000 2.586 636 G HA2 -0.001 3.949 3.960 -0.015 0.000 0.215 636 G HA3 -0.001 3.949 3.960 -0.015 0.000 0.215 636 G C 0.603 175.585 174.900 0.137 0.000 1.128 636 G CA -0.031 45.133 45.100 0.106 0.000 0.774 636 G HN 0.585 nan 8.290 nan 0.000 0.543 637 L N 1.116 122.439 121.223 0.167 0.000 2.615 637 L HA -0.030 4.301 4.340 -0.015 0.000 0.284 637 L C 1.859 178.850 176.870 0.202 0.000 1.237 637 L CA -0.002 54.962 54.840 0.206 0.000 0.905 637 L CB 0.740 42.951 42.059 0.254 0.000 1.149 637 L HN 0.173 nan 8.230 nan 0.000 0.499 638 S N 3.351 119.207 115.700 0.259 0.000 2.470 638 S HA -0.013 4.448 4.470 -0.015 0.000 0.222 638 S C 1.404 176.133 174.600 0.215 0.000 1.024 638 S CA 0.292 58.620 58.200 0.212 0.000 0.931 638 S CB -0.161 63.171 63.200 0.220 0.000 0.791 638 S HN 0.636 nan 8.310 nan 0.000 0.513 639 L N 0.913 122.315 121.223 0.299 0.000 4.312 639 L HA -0.301 4.030 4.340 -0.015 0.000 0.427 639 L C 1.182 178.278 176.870 0.378 0.000 1.149 639 L CA 1.585 56.612 54.840 0.311 0.000 0.978 639 L CB -1.088 41.144 42.059 0.289 0.000 1.963 639 L HN 0.506 nan 8.230 nan 0.000 0.970 640 Q N -0.896 119.051 119.800 0.245 0.000 2.163 640 Q HA -0.104 4.227 4.340 -0.015 0.000 0.198 640 Q C 1.711 177.785 176.000 0.123 0.000 0.954 640 Q CA 1.966 57.819 55.803 0.084 0.000 0.851 640 Q CB -0.229 28.428 28.738 -0.136 0.000 0.928 640 Q HN 0.690 nan 8.270 nan 0.000 0.459 641 W N 0.131 121.532 121.300 0.169 0.000 2.392 641 W HA -0.131 4.521 4.660 -0.014 0.000 0.279 641 W C 1.713 178.160 176.519 -0.120 0.000 1.225 641 W CA 0.771 58.113 57.345 -0.006 0.000 1.233 641 W CB -0.343 29.066 29.460 -0.084 0.000 1.122 641 W HN 0.338 nan 8.180 nan 0.000 0.561 642 L N -0.225 121.112 121.223 0.190 0.000 2.027 642 L HA -0.190 4.141 4.340 -0.015 0.000 0.206 642 L C 2.162 179.057 176.870 0.042 0.000 1.074 642 L CA 1.938 56.814 54.840 0.059 0.000 0.745 642 L CB -1.454 40.619 42.059 0.023 0.000 0.898 642 L HN -0.138 nan 8.230 nan 0.000 0.433 643 Y N -0.213 120.074 120.300 -0.021 0.000 2.165 643 Y HA -0.210 4.330 4.550 -0.016 0.000 0.286 643 Y C 2.777 178.629 175.900 -0.081 0.000 1.155 643 Y CA 1.609 59.688 58.100 -0.035 0.000 1.164 643 Y CB -1.097 37.330 38.460 -0.055 0.000 0.978 643 Y HN 0.207 nan 8.280 nan 0.000 0.513 644 S N -0.045 115.644 115.700 -0.019 0.000 2.359 644 S HA -0.268 4.193 4.470 -0.015 0.000 0.224 644 S C 2.375 176.934 174.600 -0.069 0.000 1.035 644 S CA 1.131 59.207 58.200 -0.208 0.000 1.018 644 S CB -0.821 62.012 63.200 -0.611 0.000 0.876 644 S HN 0.533 nan 8.310 nan 0.000 0.448 645 A N 2.355 125.155 122.820 -0.034 0.000 1.845 645 A HA -0.171 4.139 4.320 -0.015 0.000 0.215 645 A C 2.050 179.718 177.584 0.140 0.000 1.195 645 A CA 2.122 54.179 52.037 0.035 0.000 0.616 645 A CB -0.785 18.207 19.000 -0.013 0.000 0.832 645 A HN 0.448 nan 8.150 nan 0.000 0.443 646 R N 0.021 120.599 120.500 0.130 0.000 2.133 646 R HA -0.127 4.204 4.340 -0.015 0.000 0.247 646 R C 1.943 178.428 176.300 0.309 0.000 1.151 646 R CA 2.489 58.715 56.100 0.210 0.000 0.971 646 R CB -1.150 29.230 30.300 0.133 0.000 0.866 646 R HN 0.397 nan 8.270 nan 0.000 0.447 647 G N -0.608 108.316 108.800 0.205 0.000 2.408 647 G HA2 -0.176 3.775 3.960 -0.015 0.000 0.213 647 G HA3 -0.176 3.775 3.960 -0.015 0.000 0.213 647 G C 0.958 175.985 174.900 0.212 0.000 1.177 647 G CA 0.566 45.781 45.100 0.192 0.000 0.802 647 G HN 0.373 nan 8.290 nan 0.000 0.533 648 D N -0.507 119.980 120.400 0.145 0.000 2.228 648 D HA -0.117 4.514 4.640 -0.015 0.000 0.203 648 D C 1.759 178.162 176.300 0.172 0.000 0.988 648 D CA 0.608 54.681 54.000 0.123 0.000 0.864 648 D CB -0.128 40.726 40.800 0.090 0.000 0.928 648 D HN 0.303 nan 8.370 nan 0.000 0.469 649 F N -0.910 119.114 119.950 0.123 0.000 2.219 649 F HA 0.037 4.555 4.527 -0.016 0.000 0.294 649 F C 1.855 177.763 175.800 0.181 0.000 1.086 649 F CA 0.490 58.566 58.000 0.125 0.000 1.330 649 F CB -0.316 38.775 39.000 0.151 0.000 1.047 649 F HN -0.094 nan 8.300 nan 0.000 0.495 650 F N 1.382 121.465 119.950 0.222 0.000 2.065 650 F HA -0.250 4.268 4.527 -0.016 0.000 0.298 650 F C 2.598 178.405 175.800 0.011 0.000 1.112 650 F CA 1.955 60.043 58.000 0.148 0.000 1.212 650 F CB -0.346 38.755 39.000 0.168 0.000 0.975 650 F HN -0.196 nan 8.300 nan 0.000 0.476 651 R N 0.117 120.801 120.500 0.307 0.000 2.094 651 R HA -0.234 4.097 4.340 -0.015 0.000 0.239 651 R C 2.444 178.751 176.300 0.011 0.000 1.137 651 R CA 1.353 57.551 56.100 0.165 0.000 0.943 651 R CB -1.122 29.239 30.300 0.102 0.000 0.850 651 R HN 0.422 nan 8.270 nan 0.000 0.433 652 A N 0.915 123.676 122.820 -0.099 0.000 1.915 652 A HA -0.289 4.021 4.320 -0.015 0.000 0.220 652 A C 2.336 179.759 177.584 -0.269 0.000 1.198 652 A CA 2.693 54.592 52.037 -0.230 0.000 0.647 652 A CB -1.305 17.462 19.000 -0.389 0.000 0.825 652 A HN 0.619 nan 8.150 nan 0.000 0.456 653 T N -3.433 110.926 114.554 -0.324 0.000 2.904 653 T HA -0.094 4.247 4.350 -0.015 0.000 0.267 653 T C 2.002 176.707 174.700 0.009 0.000 1.059 653 T CA 1.865 63.865 62.100 -0.165 0.000 1.137 653 T CB -0.541 68.255 68.868 -0.121 0.000 0.879 653 T HN 0.478 nan 8.240 nan 0.000 0.467 654 S N 0.816 116.516 115.700 0.001 0.000 2.402 654 S HA -0.037 4.423 4.470 -0.015 0.000 0.229 654 S C 2.295 176.930 174.600 0.059 0.000 1.021 654 S CA 0.476 58.723 58.200 0.078 0.000 0.974 654 S CB -0.360 62.934 63.200 0.157 0.000 0.800 654 S HN 0.571 nan 8.310 nan 0.000 0.484 655 R N 0.036 120.538 120.500 0.004 0.000 2.055 655 R HA 0.035 4.366 4.340 -0.015 0.000 0.228 655 R C 2.373 178.647 176.300 -0.043 0.000 1.143 655 R CA 1.381 57.468 56.100 -0.022 0.000 0.945 655 R CB -0.890 29.375 30.300 -0.059 0.000 0.841 655 R HN 0.412 nan 8.270 nan 0.000 0.429 656 L N 0.988 122.146 121.223 -0.109 0.000 1.997 656 L HA -0.231 4.100 4.340 -0.015 0.000 0.216 656 L C 2.275 179.192 176.870 0.077 0.000 1.074 656 L CA 2.222 56.954 54.840 -0.180 0.000 0.763 656 L CB -1.124 40.697 42.059 -0.398 0.000 0.890 656 L HN 0.129 nan 8.230 nan 0.000 0.434 657 T N -2.051 112.654 114.554 0.251 0.000 2.946 657 T HA -0.152 4.189 4.350 -0.015 0.000 0.271 657 T C 1.556 176.398 174.700 0.237 0.000 1.104 657 T CA 1.828 64.153 62.100 0.375 0.000 1.114 657 T CB -0.255 68.781 68.868 0.280 0.000 0.867 657 T HN 0.622 nan 8.240 nan 0.000 0.513 658 T N 0.736 115.374 114.554 0.139 0.000 2.898 658 T HA -0.002 4.338 4.350 -0.015 0.000 0.241 658 T C 1.615 176.365 174.700 0.083 0.000 1.024 658 T CA 0.700 62.858 62.100 0.098 0.000 1.174 658 T CB -0.420 68.484 68.868 0.059 0.000 0.873 658 T HN 0.289 nan 8.240 nan 0.000 0.422 659 D N 0.903 121.309 120.400 0.010 0.000 2.200 659 D HA -0.138 4.493 4.640 -0.015 0.000 0.192 659 D C 1.751 178.045 176.300 -0.010 0.000 1.008 659 D CA 1.260 55.230 54.000 -0.050 0.000 0.872 659 D CB -0.443 40.258 40.800 -0.167 0.000 0.923 659 D HN 0.349 nan 8.370 nan 0.000 0.447 660 F N 1.027 120.982 119.950 0.009 0.000 2.026 660 F HA -0.182 4.336 4.527 -0.015 0.000 0.296 660 F C 2.744 178.556 175.800 0.020 0.000 1.133 660 F CA 1.410 59.420 58.000 0.017 0.000 1.188 660 F CB -0.575 38.449 39.000 0.041 0.000 0.968 660 F HN 0.036 nan 8.300 nan 0.000 0.476 661 G N -0.214 108.736 108.800 0.250 0.000 2.469 661 G HA2 -0.300 3.651 3.960 -0.015 0.000 0.220 661 G HA3 -0.300 3.651 3.960 -0.015 0.000 0.220 661 G C 1.339 176.300 174.900 0.101 0.000 1.136 661 G CA 1.289 46.472 45.100 0.138 0.000 0.759 661 G HN 0.296 nan 8.290 nan 0.000 0.562 662 N N 1.021 119.773 118.700 0.087 0.000 2.463 662 N HA 0.138 4.869 4.740 -0.015 0.000 0.181 662 N C 0.987 176.532 175.510 0.058 0.000 1.078 662 N CA 0.648 53.734 53.050 0.059 0.000 0.902 662 N CB 0.118 38.629 38.487 0.041 0.000 0.970 662 N HN 0.378 nan 8.380 nan 0.000 0.451 663 A N 1.144 124.009 122.820 0.077 0.000 2.302 663 A HA 0.417 4.728 4.320 -0.015 0.000 0.285 663 A C -0.296 177.341 177.584 0.088 0.000 1.105 663 A CA -0.495 51.587 52.037 0.074 0.000 0.816 663 A CB 0.499 19.540 19.000 0.068 0.000 1.067 663 A HN 0.070 nan 8.150 nan 0.000 0.489 664 E N 0.950 121.195 120.200 0.075 0.000 2.216 664 E HA 0.367 4.707 4.350 -0.015 0.000 0.279 664 E C -0.521 176.123 176.600 0.075 0.000 0.997 664 E CA -0.576 55.866 56.400 0.069 0.000 0.817 664 E CB 0.881 30.615 29.700 0.056 0.000 1.096 664 E HN 0.512 nan 8.360 nan 0.000 0.393 665 K N 1.207 121.648 120.400 0.068 0.000 2.720 665 K HA -0.014 4.297 4.320 -0.015 0.000 0.206 665 K C 0.201 176.834 176.600 0.055 0.000 1.000 665 K CA 0.607 56.930 56.287 0.061 0.000 1.067 665 K CB -0.204 32.323 32.500 0.045 0.000 0.861 665 K HN 0.450 nan 8.250 nan 0.000 0.492 666 T N -0.577 114.012 114.554 0.058 0.000 2.964 666 T HA -0.043 4.298 4.350 -0.015 0.000 0.249 666 T C 0.278 175.014 174.700 0.061 0.000 1.000 666 T CA -0.127 62.006 62.100 0.054 0.000 0.992 666 T CB 0.293 69.189 68.868 0.047 0.000 1.087 666 T HN 0.139 nan 8.240 nan 0.000 0.489 667 D N 2.384 122.828 120.400 0.073 0.000 2.551 667 D HA 0.119 4.750 4.640 -0.015 0.000 0.223 667 D C 1.364 177.735 176.300 0.119 0.000 1.144 667 D CA -0.168 53.889 54.000 0.096 0.000 1.025 667 D CB 0.102 40.966 40.800 0.106 0.000 1.085 667 D HN 0.095 nan 8.370 nan 0.000 0.506 668 R N 1.890 122.451 120.500 0.101 0.000 2.228 668 R HA -0.249 4.081 4.340 -0.015 0.000 0.259 668 R C 1.553 177.915 176.300 0.103 0.000 1.183 668 R CA 1.316 57.467 56.100 0.086 0.000 1.002 668 R CB -0.197 30.147 30.300 0.074 0.000 0.879 668 R HN 0.441 nan 8.270 nan 0.000 0.467 669 F N 0.415 120.362 119.950 -0.004 0.000 2.094 669 F HA -0.169 4.348 4.527 -0.016 0.000 0.291 669 F C 2.169 177.956 175.800 -0.021 0.000 1.109 669 F CA 1.582 59.574 58.000 -0.014 0.000 1.221 669 F CB -0.580 38.411 39.000 -0.016 0.000 1.014 669 F HN -0.121 nan 8.300 nan 0.000 0.473 670 V N -1.126 118.967 119.914 0.298 0.000 2.490 670 V HA -0.241 3.870 4.120 -0.015 0.000 0.250 670 V C 2.164 178.230 176.094 -0.046 0.000 1.061 670 V CA 1.655 64.028 62.300 0.122 0.000 1.064 670 V CB -0.853 31.064 31.823 0.156 0.000 0.670 670 V HN 0.397 nan 8.190 nan 0.000 0.461 671 M N 0.146 119.748 119.600 0.003 0.000 2.156 671 M HA -0.009 4.461 4.480 -0.015 0.000 0.264 671 M C 2.286 178.566 176.300 -0.034 0.000 1.067 671 M CA 1.760 57.072 55.300 0.020 0.000 1.131 671 M CB -1.154 31.492 32.600 0.078 0.000 1.368 671 M HN 0.418 nan 8.290 nan 0.000 0.416 672 K N 0.926 121.274 120.400 -0.087 0.000 2.097 672 K HA -0.188 4.123 4.320 -0.015 0.000 0.206 672 K C 1.951 178.447 176.600 -0.174 0.000 1.049 672 K CA 1.324 57.544 56.287 -0.111 0.000 0.933 672 K CB -0.203 32.202 32.500 -0.159 0.000 0.717 672 K HN 0.282 nan 8.250 nan 0.000 0.442 673 K N 0.630 120.844 120.400 -0.309 0.000 2.147 673 K HA -0.092 4.219 4.320 -0.015 0.000 0.205 673 K C 2.212 178.662 176.600 -0.251 0.000 1.049 673 K CA 0.867 56.963 56.287 -0.318 0.000 0.936 673 K CB 0.037 32.293 32.500 -0.405 0.000 0.722 673 K HN 0.104 nan 8.250 nan 0.000 0.446 674 L N 0.585 121.640 121.223 -0.280 0.000 2.034 674 L HA -0.133 4.197 4.340 -0.015 0.000 0.203 674 L C 2.148 178.881 176.870 -0.230 0.000 1.074 674 L CA 0.814 55.392 54.840 -0.436 0.000 0.748 674 L CB -0.782 40.743 42.059 -0.890 0.000 0.905 674 L HN 0.183 nan 8.230 nan 0.000 0.439 675 N N 0.421 119.111 118.700 -0.017 0.000 2.132 675 N HA -0.230 4.501 4.740 -0.015 0.000 0.191 675 N C 1.401 176.921 175.510 0.016 0.000 1.015 675 N CA 1.618 54.728 53.050 0.099 0.000 0.864 675 N CB -0.400 38.145 38.487 0.097 0.000 1.006 675 N HN 0.372 nan 8.380 nan 0.000 0.430 676 D N 0.603 121.002 120.400 -0.002 0.000 2.144 676 D HA -0.088 4.543 4.640 -0.015 0.000 0.199 676 D C 1.982 178.265 176.300 -0.027 0.000 0.984 676 D CA 0.646 54.650 54.000 0.007 0.000 0.834 676 D CB 0.025 40.828 40.800 0.004 0.000 0.955 676 D HN 0.329 nan 8.370 nan 0.000 0.465 677 R N 0.573 121.017 120.500 -0.094 0.000 2.075 677 R HA -0.063 4.268 4.340 -0.015 0.000 0.232 677 R C 2.476 178.717 176.300 -0.099 0.000 1.126 677 R CA 0.575 56.598 56.100 -0.128 0.000 0.963 677 R CB -0.681 29.478 30.300 -0.235 0.000 0.858 677 R HN 0.127 nan 8.270 nan 0.000 0.435 678 V N 1.606 121.473 119.914 -0.078 0.000 2.332 678 V HA -0.254 3.857 4.120 -0.015 0.000 0.248 678 V C 2.410 178.549 176.094 0.075 0.000 1.055 678 V CA 1.728 64.029 62.300 0.001 0.000 1.038 678 V CB -0.443 31.460 31.823 0.134 0.000 0.651 678 V HN 0.293 nan 8.190 nan 0.000 0.450 679 M N -0.822 118.805 119.600 0.045 0.000 2.539 679 M HA -0.132 4.339 4.480 -0.015 0.000 0.261 679 M C 2.195 178.572 176.300 0.129 0.000 1.069 679 M CA 1.470 56.813 55.300 0.071 0.000 1.081 679 M CB -0.119 32.462 32.600 -0.031 0.000 1.412 679 M HN 0.261 nan 8.290 nan 0.000 0.482 680 R N -1.557 119.018 120.500 0.124 0.000 2.112 680 R HA 0.027 4.357 4.340 -0.015 0.000 0.216 680 R C 1.960 178.395 176.300 0.224 0.000 1.080 680 R CA 0.696 56.916 56.100 0.200 0.000 0.996 680 R CB -0.333 30.120 30.300 0.255 0.000 0.902 680 R HN 0.207 nan 8.270 nan 0.000 0.449 681 V N 1.947 121.959 119.914 0.163 0.000 2.236 681 V HA -0.359 3.752 4.120 -0.015 0.000 0.255 681 V C 2.307 178.506 176.094 0.175 0.000 1.068 681 V CA 2.454 64.858 62.300 0.174 0.000 1.044 681 V CB -0.544 31.431 31.823 0.253 0.000 0.653 681 V HN 0.319 nan 8.190 nan 0.000 0.448 682 E N -0.746 119.594 120.200 0.234 0.000 2.051 682 E HA -0.256 4.085 4.350 -0.015 0.000 0.192 682 E C 2.076 178.826 176.600 0.251 0.000 0.991 682 E CA 1.857 58.432 56.400 0.292 0.000 0.799 682 E CB -0.550 29.348 29.700 0.329 0.000 0.748 682 E HN 0.689 nan 8.360 nan 0.000 0.449 683 Y N 0.442 120.736 120.300 -0.009 0.000 2.181 683 Y HA -0.215 4.324 4.550 -0.017 0.000 0.288 683 Y C 1.913 177.631 175.900 -0.303 0.000 1.146 683 Y CA 2.109 60.076 58.100 -0.222 0.000 1.164 683 Y CB -0.293 37.769 38.460 -0.664 0.000 0.982 683 Y HN 0.247 nan 8.280 nan 0.000 0.515 684 H N -0.986 117.882 119.070 -0.336 0.000 2.568 684 H HA -0.046 4.500 4.556 -0.016 0.000 0.275 684 H C 0.532 175.507 175.328 -0.590 0.000 1.028 684 H CA 0.876 56.633 56.048 -0.486 0.000 1.173 684 H CB -0.586 28.964 29.762 -0.354 0.000 1.335 684 H HN 0.425 nan 8.280 nan 0.000 0.614 685 F N 0.225 119.980 119.950 -0.325 0.000 2.647 685 F HA 0.191 4.710 4.527 -0.015 0.000 0.300 685 F C 0.442 175.939 175.800 -0.505 0.000 1.106 685 F CA -0.134 57.603 58.000 -0.437 0.000 1.313 685 F CB 0.577 39.182 39.000 -0.658 0.000 1.007 685 F HN -0.088 nan 8.300 nan 0.000 0.536 686 L N 0.349 121.396 121.223 -0.294 0.000 2.257 686 L HA 0.238 4.568 4.340 -0.015 0.000 0.290 686 L C 0.796 177.559 176.870 -0.180 0.000 1.044 686 L CA -0.703 54.006 54.840 -0.218 0.000 0.810 686 L CB 1.286 43.144 42.059 -0.336 0.000 1.193 686 L HN -0.098 nan 8.230 nan 0.000 0.425 687 S N 5.857 121.541 115.700 -0.026 0.000 2.887 687 S HA 0.039 4.500 4.470 -0.015 0.000 0.337 687 S C -1.326 173.233 174.600 -0.067 0.000 1.209 687 S CA -0.866 57.357 58.200 0.038 0.000 1.186 687 S CB 0.247 63.539 63.200 0.153 0.000 0.925 687 S HN 0.452 nan 8.310 nan 0.000 0.522 688 P HA 0.114 nan 4.420 nan 0.000 0.253 688 P C -0.547 176.422 177.300 -0.553 0.000 1.508 688 P CA 0.214 63.096 63.100 -0.364 0.000 0.883 688 P CB -0.364 31.077 31.700 -0.431 0.000 1.519 689 Y N -0.464 119.798 120.300 -0.063 0.000 2.641 689 Y HA 0.181 4.721 4.550 -0.015 0.000 0.248 689 Y C 0.988 176.844 175.900 -0.074 0.000 1.170 689 Y CA -0.546 57.522 58.100 -0.053 0.000 1.201 689 Y CB 0.886 39.329 38.460 -0.029 0.000 1.232 689 Y HN -0.186 nan 8.280 nan 0.000 0.537 690 V N -2.553 117.345 119.914 -0.026 0.000 2.709 690 V HA 0.601 4.712 4.120 -0.015 0.000 0.308 690 V C -0.087 175.944 176.094 -0.105 0.000 1.062 690 V CA -1.204 61.038 62.300 -0.097 0.000 0.901 690 V CB 1.773 33.430 31.823 -0.276 0.000 1.003 690 V HN -0.009 nan 8.190 nan 0.000 0.425 691 S N 4.215 119.874 115.700 -0.068 0.000 2.528 691 S HA 0.436 4.897 4.470 -0.015 0.000 0.277 691 S C -1.320 173.264 174.600 -0.027 0.000 1.297 691 S CA -0.868 57.308 58.200 -0.039 0.000 1.052 691 S CB 1.231 64.424 63.200 -0.011 0.000 0.917 691 S HN 0.766 nan 8.310 nan 0.000 0.492 692 P HA -0.126 nan 4.420 nan 0.000 0.217 692 P C 1.322 178.667 177.300 0.075 0.000 1.148 692 P CA 0.932 64.073 63.100 0.069 0.000 0.828 692 P CB 0.144 31.924 31.700 0.133 0.000 0.783 693 K N -0.255 120.204 120.400 0.098 0.000 2.147 693 K HA -0.172 4.138 4.320 -0.015 0.000 0.205 693 K C 1.550 178.202 176.600 0.087 0.000 1.049 693 K CA 1.302 57.678 56.287 0.149 0.000 0.936 693 K CB 0.019 32.621 32.500 0.170 0.000 0.722 693 K HN 0.074 nan 8.250 nan 0.000 0.446 694 E N -0.087 120.136 120.200 0.039 0.000 2.079 694 E HA 0.041 4.382 4.350 -0.015 0.000 0.191 694 E C 0.230 176.825 176.600 -0.008 0.000 0.961 694 E CA 0.545 56.958 56.400 0.021 0.000 0.823 694 E CB 0.363 30.070 29.700 0.011 0.000 0.789 694 E HN -0.042 nan 8.360 nan 0.000 0.459 695 S N 2.676 118.348 115.700 -0.046 0.000 2.395 695 S HA 0.195 4.656 4.470 -0.015 0.000 0.207 695 S C -1.959 172.581 174.600 -0.101 0.000 1.454 695 S CA -1.040 57.124 58.200 -0.060 0.000 1.211 695 S CB 1.871 65.019 63.200 -0.086 0.000 1.093 695 S HN 0.006 nan 8.310 nan 0.000 0.472 696 P HA -0.124 nan 4.420 nan 0.000 0.216 696 P C 0.136 177.371 177.300 -0.109 0.000 1.150 696 P CA 1.101 64.067 63.100 -0.223 0.000 0.843 696 P CB -0.112 31.193 31.700 -0.658 0.000 0.787 697 F N 0.448 120.522 119.950 0.207 0.000 2.573 697 F HA 0.307 4.826 4.527 -0.014 0.000 0.349 697 F C 1.837 177.850 175.800 0.355 0.000 1.213 697 F CA -0.730 57.399 58.000 0.215 0.000 1.300 697 F CB -0.067 39.060 39.000 0.211 0.000 1.661 697 F HN -0.277 nan 8.300 nan 0.000 0.616 698 R N -0.942 119.766 120.500 0.347 0.000 2.280 698 R HA -0.112 4.218 4.340 -0.015 0.000 0.207 698 R C 0.337 176.850 176.300 0.356 0.000 1.043 698 R CA 0.226 56.494 56.100 0.281 0.000 1.006 698 R CB -0.393 29.907 30.300 -0.000 0.000 0.885 698 R HN 0.422 nan 8.270 nan 0.000 0.467 699 H N 1.265 120.463 119.070 0.214 0.000 3.248 699 H HA -0.045 4.502 4.556 -0.016 0.000 0.258 699 H C 1.567 176.928 175.328 0.055 0.000 0.923 699 H CA -0.138 55.988 56.048 0.131 0.000 1.416 699 H CB 0.657 30.514 29.762 0.159 0.000 1.523 699 H HN -0.038 nan 8.280 nan 0.000 0.528 700 V N 2.726 122.541 119.914 -0.165 0.000 2.439 700 V HA -0.310 3.801 4.120 -0.015 0.000 0.253 700 V C 1.663 177.500 176.094 -0.429 0.000 1.074 700 V CA 1.755 63.893 62.300 -0.270 0.000 1.076 700 V CB -0.957 30.685 31.823 -0.302 0.000 0.664 700 V HN 0.535 nan 8.190 nan 0.000 0.461 701 F N -0.409 119.207 119.950 -0.557 0.000 2.220 701 F HA 0.231 4.749 4.527 -0.016 0.000 0.290 701 F C 1.927 177.342 175.800 -0.641 0.000 1.080 701 F CA 1.220 58.704 58.000 -0.860 0.000 1.318 701 F CB -0.334 37.721 39.000 -1.576 0.000 1.063 701 F HN 0.206 nan 8.300 nan 0.000 0.498 702 W N -0.476 121.140 121.300 0.526 0.000 3.008 702 W HA 0.422 5.073 4.660 -0.015 0.000 0.355 702 W C 1.527 178.194 176.519 0.247 0.000 1.095 702 W CA -0.113 57.388 57.345 0.260 0.000 1.738 702 W CB -0.706 28.824 29.460 0.116 0.000 1.091 702 W HN -0.103 nan 8.180 nan 0.000 0.574 703 G N 1.142 110.165 108.800 0.370 0.000 2.447 703 G HA2 0.355 4.306 3.960 -0.015 0.000 0.269 703 G HA3 0.355 4.306 3.960 -0.015 0.000 0.269 703 G C -0.313 174.754 174.900 0.278 0.000 1.455 703 G CA 0.019 45.331 45.100 0.355 0.000 1.061 703 G HN -0.031 nan 8.290 nan 0.000 0.545 704 S N -1.441 114.444 115.700 0.309 0.000 2.649 704 S HA 0.703 5.164 4.470 -0.015 0.000 0.274 704 S C -0.052 174.704 174.600 0.260 0.000 1.176 704 S CA 0.124 58.464 58.200 0.233 0.000 0.988 704 S CB 1.519 64.922 63.200 0.338 0.000 1.071 704 S HN 1.920 nan 8.310 nan 0.000 0.478 705 G N 1.240 110.087 108.800 0.077 0.000 2.369 705 G HA2 0.232 4.183 3.960 -0.015 0.000 0.307 705 G HA3 0.232 4.183 3.960 -0.015 0.000 0.307 705 G C 0.402 175.324 174.900 0.037 0.000 1.327 705 G CA -0.023 45.191 45.100 0.190 0.000 0.963 705 G HN 1.033 nan 8.290 nan 0.000 0.590 706 S N -0.486 115.310 115.700 0.161 0.000 2.515 706 S HA -0.094 4.367 4.470 -0.015 0.000 0.231 706 S C 1.764 176.390 174.600 0.042 0.000 0.987 706 S CA 1.822 60.065 58.200 0.071 0.000 0.936 706 S CB -0.536 62.711 63.200 0.077 0.000 0.766 706 S HN 1.178 nan 8.310 nan 0.000 0.528 707 H N 0.273 119.339 119.070 -0.005 0.000 2.529 707 H HA 0.158 4.706 4.556 -0.014 0.000 0.277 707 H C 0.252 175.535 175.328 -0.075 0.000 0.999 707 H CA 0.670 56.700 56.048 -0.031 0.000 1.256 707 H CB -1.547 28.217 29.762 0.002 0.000 1.402 707 H HN 0.193 nan 8.280 nan 0.000 0.566 708 T N 2.621 116.808 114.554 -0.612 0.000 2.933 708 T HA -0.028 4.313 4.350 -0.015 0.000 0.306 708 T C 1.489 175.982 174.700 -0.345 0.000 1.045 708 T CA -0.177 61.645 62.100 -0.463 0.000 1.143 708 T CB 0.662 69.330 68.868 -0.332 0.000 1.003 708 T HN 0.079 nan 8.240 nan 0.000 0.540 709 L N 6.538 127.479 121.223 -0.470 0.000 1.994 709 L HA 0.068 4.399 4.340 -0.015 0.000 0.208 709 L C -0.624 176.046 176.870 -0.332 0.000 1.071 709 L CA 1.750 56.224 54.840 -0.610 0.000 0.745 709 L CB -1.457 39.922 42.059 -1.134 0.000 0.892 709 L HN 0.515 nan 8.230 nan 0.000 0.431 710 P HA -0.175 nan 4.420 nan 0.000 0.216 710 P C 1.510 178.781 177.300 -0.048 0.000 1.150 710 P CA 1.895 64.939 63.100 -0.093 0.000 0.843 710 P CB -0.108 31.552 31.700 -0.067 0.000 0.787 711 A N -0.775 121.996 122.820 -0.081 0.000 1.978 711 A HA -0.196 4.115 4.320 -0.015 0.000 0.220 711 A C 2.164 179.754 177.584 0.009 0.000 1.170 711 A CA 1.335 53.349 52.037 -0.038 0.000 0.636 711 A CB -1.647 17.314 19.000 -0.066 0.000 0.810 711 A HN 0.199 nan 8.150 nan 0.000 0.448 712 L N -0.427 120.802 121.223 0.010 0.000 1.976 712 L HA -0.173 4.158 4.340 -0.015 0.000 0.209 712 L C 2.461 179.422 176.870 0.151 0.000 1.071 712 L CA 1.764 56.669 54.840 0.107 0.000 0.746 712 L CB -0.338 41.781 42.059 0.099 0.000 0.890 712 L HN 0.432 nan 8.230 nan 0.000 0.432 713 L N -0.209 121.067 121.223 0.088 0.000 2.012 713 L HA -0.258 4.073 4.340 -0.015 0.000 0.210 713 L C 2.585 179.403 176.870 -0.087 0.000 1.073 713 L CA 1.478 56.275 54.840 -0.072 0.000 0.748 713 L CB -0.783 41.254 42.059 -0.037 0.000 0.891 713 L HN 0.332 nan 8.230 nan 0.000 0.431 714 E N 0.485 120.680 120.200 -0.007 0.000 2.273 714 E HA -0.256 4.085 4.350 -0.015 0.000 0.198 714 E C 1.757 178.378 176.600 0.034 0.000 1.002 714 E CA 1.404 57.809 56.400 0.009 0.000 0.828 714 E CB -0.142 29.569 29.700 0.018 0.000 0.747 714 E HN 0.412 nan 8.360 nan 0.000 0.491 715 N N -1.099 117.647 118.700 0.077 0.000 2.368 715 N HA -0.049 4.682 4.740 -0.015 0.000 0.178 715 N C 1.485 177.114 175.510 0.200 0.000 1.021 715 N CA 0.531 53.679 53.050 0.164 0.000 0.875 715 N CB -0.235 38.379 38.487 0.213 0.000 1.020 715 N HN 0.183 nan 8.380 nan 0.000 0.433 716 L N 1.415 122.654 121.223 0.026 0.000 2.083 716 L HA -0.010 4.321 4.340 -0.015 0.000 0.209 716 L C 1.833 178.471 176.870 -0.386 0.000 1.083 716 L CA 1.582 56.212 54.840 -0.351 0.000 0.752 716 L CB -0.419 41.300 42.059 -0.568 0.000 0.899 716 L HN 0.109 nan 8.230 nan 0.000 0.433 717 K N -0.676 119.576 120.400 -0.247 0.000 2.113 717 K HA -0.184 4.127 4.320 -0.015 0.000 0.208 717 K C 1.932 178.511 176.600 -0.036 0.000 1.047 717 K CA 1.630 57.890 56.287 -0.045 0.000 0.928 717 K CB -0.408 32.109 32.500 0.028 0.000 0.716 717 K HN 0.379 nan 8.250 nan 0.000 0.446 718 L N 0.535 121.740 121.223 -0.030 0.000 2.353 718 L HA -0.130 4.201 4.340 -0.015 0.000 0.220 718 L C 2.436 179.258 176.870 -0.081 0.000 1.133 718 L CA 0.479 55.325 54.840 0.010 0.000 0.798 718 L CB -0.447 41.683 42.059 0.119 0.000 0.922 718 L HN 0.105 nan 8.230 nan 0.000 0.445 719 R N 1.499 121.784 120.500 -0.360 0.000 2.096 719 R HA -0.190 4.140 4.340 -0.015 0.000 0.240 719 R C 2.119 178.264 176.300 -0.259 0.000 1.139 719 R CA 1.748 57.480 56.100 -0.613 0.000 0.952 719 R CB -0.300 29.409 30.300 -0.985 0.000 0.854 719 R HN 0.257 nan 8.270 nan 0.000 0.436 720 K N 0.044 120.346 120.400 -0.163 0.000 2.152 720 K HA -0.162 4.149 4.320 -0.015 0.000 0.206 720 K C 2.014 178.586 176.600 -0.047 0.000 1.048 720 K CA 1.575 57.812 56.287 -0.083 0.000 0.933 720 K CB -0.121 32.353 32.500 -0.043 0.000 0.721 720 K HN 0.380 nan 8.250 nan 0.000 0.447 721 Q N 0.978 120.759 119.800 -0.031 0.000 2.561 721 Q HA -0.158 4.173 4.340 -0.015 0.000 0.217 721 Q C 0.216 176.218 176.000 0.003 0.000 0.980 721 Q CA 0.854 56.656 55.803 -0.003 0.000 0.927 721 Q CB -0.538 28.209 28.738 0.016 0.000 0.980 721 Q HN 0.483 nan 8.270 nan 0.000 0.525 722 N N -0.472 118.223 118.700 -0.009 0.000 2.707 722 N HA -0.356 4.375 4.740 -0.015 0.000 0.245 722 N C -0.358 175.168 175.510 0.027 0.000 1.103 722 N CA 1.904 54.956 53.050 0.003 0.000 0.882 722 N CB -2.055 36.432 38.487 0.000 0.000 1.160 722 N HN 0.666 nan 8.380 nan 0.000 0.587 723 N N -2.240 116.482 118.700 0.037 0.000 2.431 723 N HA 0.424 5.155 4.740 -0.015 0.000 0.289 723 N C 1.370 176.923 175.510 0.072 0.000 1.277 723 N CA -0.552 52.526 53.050 0.047 0.000 0.972 723 N CB 0.271 38.783 38.487 0.042 0.000 1.143 723 N HN 0.121 nan 8.380 nan 0.000 0.578 724 G N -1.736 107.103 108.800 0.064 0.000 2.880 724 G HA2 0.065 4.015 3.960 -0.015 0.000 0.209 724 G HA3 0.065 4.015 3.960 -0.015 0.000 0.209 724 G C 1.379 176.328 174.900 0.081 0.000 1.157 724 G CA 0.329 45.471 45.100 0.071 0.000 0.779 724 G HN 0.707 nan 8.290 nan 0.000 0.539 725 A N 0.568 123.440 122.820 0.086 0.000 2.054 725 A HA -0.059 4.252 4.320 -0.015 0.000 0.223 725 A C 1.014 178.676 177.584 0.131 0.000 1.169 725 A CA 0.497 52.587 52.037 0.088 0.000 0.655 725 A CB -0.472 18.577 19.000 0.082 0.000 0.812 725 A HN 0.439 nan 8.150 nan 0.000 0.462 726 F N 1.268 121.215 119.950 -0.006 0.000 2.421 726 F HA 0.418 4.936 4.527 -0.015 0.000 0.358 726 F C 0.051 175.853 175.800 0.003 0.000 1.115 726 F CA -1.733 56.258 58.000 -0.015 0.000 1.160 726 F CB 0.324 39.297 39.000 -0.046 0.000 1.123 726 F HN 0.115 nan 8.300 nan 0.000 0.508 727 N N 5.655 124.036 118.700 -0.532 0.000 2.437 727 N HA 0.027 4.758 4.740 -0.015 0.000 0.243 727 N C 0.805 175.773 175.510 -0.903 0.000 1.041 727 N CA 0.137 52.893 53.050 -0.490 0.000 0.940 727 N CB 0.768 39.115 38.487 -0.234 0.000 1.133 727 N HN 0.960 nan 8.380 nan 0.000 0.506 728 E N 2.192 121.924 120.200 -0.780 0.000 2.047 728 E HA -0.128 4.213 4.350 -0.015 0.000 0.191 728 E C 0.719 177.214 176.600 -0.174 0.000 0.987 728 E CA 1.380 57.447 56.400 -0.557 0.000 0.799 728 E CB 0.253 29.892 29.700 -0.101 0.000 0.752 728 E HN 0.620 nan 8.360 nan 0.000 0.449 729 T N 1.897 116.376 114.554 -0.125 0.000 2.720 729 T HA -0.191 4.150 4.350 -0.015 0.000 0.268 729 T C 1.763 176.429 174.700 -0.056 0.000 1.037 729 T CA 1.210 63.277 62.100 -0.055 0.000 1.144 729 T CB -0.317 68.522 68.868 -0.048 0.000 0.864 729 T HN 0.136 nan 8.240 nan 0.000 0.444 730 L N 0.863 122.030 121.223 -0.092 0.000 1.989 730 L HA 0.005 4.336 4.340 -0.015 0.000 0.211 730 L C 2.024 178.881 176.870 -0.021 0.000 1.071 730 L CA 1.685 56.489 54.840 -0.061 0.000 0.749 730 L CB -1.186 40.830 42.059 -0.072 0.000 0.890 730 L HN 0.233 nan 8.230 nan 0.000 0.431 731 F N 0.600 120.455 119.950 -0.158 0.000 2.025 731 F HA -0.269 4.249 4.527 -0.015 0.000 0.297 731 F C 2.656 178.453 175.800 -0.004 0.000 1.132 731 F CA 1.979 59.957 58.000 -0.037 0.000 1.191 731 F CB -0.533 38.510 39.000 0.072 0.000 0.963 731 F HN 0.065 nan 8.300 nan 0.000 0.481 732 R N 0.595 121.118 120.500 0.039 0.000 2.189 732 R HA -0.277 4.053 4.340 -0.015 0.000 0.252 732 R C 1.931 178.126 176.300 -0.176 0.000 1.134 732 R CA 2.072 58.138 56.100 -0.058 0.000 0.954 732 R CB -1.421 28.899 30.300 0.033 0.000 0.890 732 R HN 0.454 nan 8.270 nan 0.000 0.443 733 N N 0.741 119.361 118.700 -0.135 0.000 2.062 733 N HA -0.131 4.600 4.740 -0.015 0.000 0.191 733 N C 1.919 177.316 175.510 -0.188 0.000 1.042 733 N CA 1.067 54.034 53.050 -0.138 0.000 0.845 733 N CB -0.444 37.987 38.487 -0.093 0.000 1.024 733 N HN 0.351 nan 8.380 nan 0.000 0.424 734 Q N 0.995 120.680 119.800 -0.191 0.000 2.065 734 Q HA -0.217 4.114 4.340 -0.015 0.000 0.213 734 Q C 2.239 178.078 176.000 -0.268 0.000 1.012 734 Q CA 1.653 57.339 55.803 -0.196 0.000 0.876 734 Q CB -0.447 28.192 28.738 -0.164 0.000 0.954 734 Q HN 0.361 nan 8.270 nan 0.000 0.413 735 L N -0.006 120.944 121.223 -0.455 0.000 1.970 735 L HA -0.235 4.095 4.340 -0.015 0.000 0.212 735 L C 2.364 179.088 176.870 -0.244 0.000 1.071 735 L CA 1.587 56.192 54.840 -0.391 0.000 0.751 735 L CB -0.581 41.112 42.059 -0.610 0.000 0.889 735 L HN 0.294 nan 8.230 nan 0.000 0.432 736 A N 0.160 122.842 122.820 -0.229 0.000 1.881 736 A HA -0.293 4.018 4.320 -0.015 0.000 0.219 736 A C 2.162 179.675 177.584 -0.120 0.000 1.215 736 A CA 2.542 54.483 52.037 -0.159 0.000 0.648 736 A CB -1.161 17.771 19.000 -0.113 0.000 0.832 736 A HN 0.559 nan 8.150 nan 0.000 0.455 737 L N -1.325 119.798 121.223 -0.165 0.000 2.023 737 L HA -0.110 4.221 4.340 -0.015 0.000 0.205 737 L C 3.098 179.882 176.870 -0.144 0.000 1.073 737 L CA 0.965 55.656 54.840 -0.247 0.000 0.745 737 L CB -0.707 41.130 42.059 -0.370 0.000 0.900 737 L HN 0.436 nan 8.230 nan 0.000 0.435 738 A N -0.321 122.412 122.820 -0.144 0.000 2.042 738 A HA -0.247 4.064 4.320 -0.015 0.000 0.222 738 A C 2.297 179.805 177.584 -0.126 0.000 1.167 738 A CA 2.478 54.429 52.037 -0.144 0.000 0.649 738 A CB -0.928 17.954 19.000 -0.196 0.000 0.809 738 A HN 0.467 nan 8.150 nan 0.000 0.457 739 T N -1.696 112.762 114.554 -0.159 0.000 2.668 739 T HA -0.155 4.186 4.350 -0.015 0.000 0.258 739 T C 1.472 176.042 174.700 -0.217 0.000 1.051 739 T CA 1.331 63.296 62.100 -0.226 0.000 1.155 739 T CB -0.405 68.224 68.868 -0.398 0.000 0.864 739 T HN 0.749 nan 8.240 nan 0.000 0.413 740 W N 1.711 122.991 121.300 -0.034 0.000 2.387 740 W HA -0.116 4.537 4.660 -0.012 0.000 0.272 740 W C 2.618 179.190 176.519 0.090 0.000 1.224 740 W CA 0.700 58.058 57.345 0.023 0.000 1.210 740 W CB -0.903 28.544 29.460 -0.021 0.000 1.125 740 W HN 0.245 nan 8.180 nan 0.000 0.572 741 T N 0.866 115.564 114.554 0.240 0.000 2.701 741 T HA -0.197 4.144 4.350 -0.015 0.000 0.263 741 T C 1.694 176.418 174.700 0.041 0.000 1.040 741 T CA 1.576 63.783 62.100 0.178 0.000 1.147 741 T CB -0.471 68.454 68.868 0.095 0.000 0.865 741 T HN 0.070 nan 8.240 nan 0.000 0.426 742 I N 0.877 121.455 120.570 0.013 0.000 2.179 742 I HA -0.185 3.976 4.170 -0.015 0.000 0.242 742 I C 2.988 179.116 176.117 0.018 0.000 1.088 742 I CA 1.050 62.343 61.300 -0.011 0.000 1.357 742 I CB -0.437 37.575 38.000 0.020 0.000 1.051 742 I HN 0.152 nan 8.210 nan 0.000 0.409 743 Q N 1.201 121.038 119.800 0.062 0.000 2.014 743 Q HA -0.201 4.130 4.340 -0.015 0.000 0.207 743 Q C 2.277 178.369 176.000 0.153 0.000 0.993 743 Q CA 2.361 58.239 55.803 0.125 0.000 0.850 743 Q CB -1.002 27.841 28.738 0.175 0.000 0.916 743 Q HN 0.562 nan 8.270 nan 0.000 0.417 744 G N 0.299 109.200 108.800 0.167 0.000 2.476 744 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.218 744 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.218 744 G C 1.545 176.409 174.900 -0.061 0.000 1.164 744 G CA 1.784 46.934 45.100 0.083 0.000 0.768 744 G HN 0.539 nan 8.290 nan 0.000 0.560 745 A N 0.955 123.695 122.820 -0.133 0.000 1.986 745 A HA 0.149 4.460 4.320 -0.015 0.000 0.220 745 A C 2.761 180.332 177.584 -0.022 0.000 1.171 745 A CA 2.476 54.348 52.037 -0.274 0.000 0.640 745 A CB -0.645 17.903 19.000 -0.753 0.000 0.811 745 A HN 0.829 nan 8.150 nan 0.000 0.451 746 A N 0.231 123.144 122.820 0.154 0.000 1.840 746 A HA -0.127 4.184 4.320 -0.015 0.000 0.214 746 A C 1.833 179.398 177.584 -0.033 0.000 1.198 746 A CA 1.439 53.564 52.037 0.146 0.000 0.608 746 A CB -0.595 18.539 19.000 0.223 0.000 0.839 746 A HN 0.519 nan 8.150 nan 0.000 0.443 747 N N 0.723 119.421 118.700 -0.003 0.000 2.348 747 N HA -0.116 4.615 4.740 -0.015 0.000 0.185 747 N C 1.616 177.048 175.510 -0.131 0.000 1.019 747 N CA 1.444 54.480 53.050 -0.025 0.000 0.880 747 N CB -0.435 38.082 38.487 0.049 0.000 0.965 747 N HN 0.522 nan 8.380 nan 0.000 0.437 748 A N 0.264 122.941 122.820 -0.238 0.000 1.935 748 A HA 0.068 4.378 4.320 -0.015 0.000 0.214 748 A C 1.773 179.159 177.584 -0.329 0.000 1.178 748 A CA 0.263 52.062 52.037 -0.397 0.000 0.640 748 A CB -0.291 18.148 19.000 -0.935 0.000 0.825 748 A HN 0.190 nan 8.150 nan 0.000 0.447 749 L N -0.458 120.594 121.223 -0.285 0.000 2.693 749 L HA 0.234 4.564 4.340 -0.015 0.000 0.242 749 L C 0.700 177.413 176.870 -0.262 0.000 1.157 749 L CA 0.980 55.661 54.840 -0.265 0.000 0.929 749 L CB -1.027 40.852 42.059 -0.301 0.000 1.103 749 L HN 0.577 nan 8.230 nan 0.000 0.430 750 S N -1.580 113.987 115.700 -0.221 0.000 4.146 750 S HA 0.022 4.482 4.470 -0.015 0.000 0.628 750 S C 0.808 175.323 174.600 -0.142 0.000 1.860 750 S CA 0.299 58.384 58.200 -0.193 0.000 4.099 750 S CB -1.710 61.368 63.200 -0.204 0.000 0.215 750 S HN 1.669 nan 8.310 nan 0.000 0.512 751 G N 1.500 110.230 108.800 -0.117 0.000 2.132 751 G HA2 -0.060 3.891 3.960 -0.015 0.000 0.234 751 G HA3 -0.060 3.891 3.960 -0.015 0.000 0.234 751 G C 0.163 175.035 174.900 -0.046 0.000 0.989 751 G CA 1.020 46.085 45.100 -0.058 0.000 0.676 751 G HN 1.678 nan 8.290 nan 0.000 0.522 752 D N -1.965 118.383 120.400 -0.087 0.000 3.041 752 D HA -0.180 4.450 4.640 -0.015 0.000 0.220 752 D C 0.902 177.128 176.300 -0.123 0.000 1.157 752 D CA 1.467 55.414 54.000 -0.087 0.000 0.876 752 D CB -1.706 39.072 40.800 -0.036 0.000 1.107 752 D HN 1.719 nan 8.370 nan 0.000 0.422 753 V N -2.123 117.690 119.914 -0.168 0.000 3.570 753 V HA -0.308 3.802 4.120 -0.015 0.000 0.510 753 V C 0.828 176.877 176.094 -0.075 0.000 0.682 753 V CA 0.716 62.829 62.300 -0.312 0.000 2.063 753 V CB -0.637 30.829 31.823 -0.595 0.000 2.487 753 V HN 0.576 nan 8.190 nan 0.000 0.510 754 W N 0.249 121.545 121.300 -0.007 0.000 5.963 754 W HA -0.178 4.472 4.660 -0.018 0.000 0.400 754 W C 0.487 177.015 176.519 0.015 0.000 1.530 754 W CA 0.278 57.627 57.345 0.007 0.000 1.004 754 W CB -1.071 28.393 29.460 0.007 0.000 2.706 754 W HN 0.906 nan 8.180 nan 0.000 1.495 755 D N 1.091 121.634 120.400 0.239 0.000 2.793 755 D HA 0.020 4.651 4.640 -0.015 0.000 0.230 755 D C 0.625 177.016 176.300 0.153 0.000 1.139 755 D CA 0.827 54.917 54.000 0.150 0.000 0.838 755 D CB 0.356 41.226 40.800 0.118 0.000 1.149 755 D HN 0.049 nan 8.370 nan 0.000 0.526 756 I N 2.272 122.916 120.570 0.123 0.000 3.771 756 I HA 0.078 4.239 4.170 -0.015 0.000 0.327 756 I C 0.121 176.291 176.117 0.088 0.000 1.435 756 I CA -0.205 61.156 61.300 0.103 0.000 1.259 756 I CB -0.563 37.490 38.000 0.088 0.000 1.292 756 I HN 0.193 nan 8.210 nan 0.000 0.429 757 D N -0.739 119.720 120.400 0.098 0.000 3.110 757 D HA 0.021 4.651 4.640 -0.015 0.000 0.254 757 D C 1.038 177.416 176.300 0.129 0.000 1.283 757 D CA -0.392 53.664 54.000 0.095 0.000 0.944 757 D CB -0.704 40.139 40.800 0.072 0.000 1.066 757 D HN 0.502 nan 8.370 nan 0.000 0.496 758 N N -0.156 118.611 118.700 0.112 0.000 2.453 758 N HA -0.260 4.471 4.740 -0.015 0.000 0.183 758 N C 1.346 176.929 175.510 0.123 0.000 1.041 758 N CA 0.300 53.417 53.050 0.112 0.000 0.900 758 N CB 0.142 38.673 38.487 0.072 0.000 0.961 758 N HN 0.178 nan 8.380 nan 0.000 0.443 759 E N 1.249 121.523 120.200 0.122 0.000 1.989 759 E HA -0.101 4.240 4.350 -0.015 0.000 0.214 759 E C 0.324 177.027 176.600 0.170 0.000 0.915 759 E CA 0.086 56.555 56.400 0.115 0.000 1.012 759 E CB -0.688 29.071 29.700 0.099 0.000 0.865 759 E HN 0.212 nan 8.360 nan 0.000 0.577 760 F N 0.000 119.954 119.950 0.007 0.000 2.286 760 F HA 0.000 4.517 4.527 -0.016 0.000 0.279 760 F CA 0.000 57.989 58.000 -0.018 0.000 1.383 760 F CB 0.000 38.991 39.000 -0.016 0.000 1.145 760 F HN 0.000 nan 8.300 nan 0.000 0.574