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 3hn1_1_A DATA FIRST_RESID 866 DATA SEQUENCE NLDcWXXXXE DIDVILKKST ILNLDINNDI ISDISGFNSS VITYPDAQLV DATA SEQUENCE PGINGKAIHL VNNESSEVIV HKAMDIEYND MFNNFTVSFW LRVPKVSASH DATA SEQUENCE LEQYGTNEYS IISSMKXXXX SIGSGWSVSL KGNNLIWTLK DSAGEVRQIT DATA SEQUENCE FRDLPDKFNA YLANKWVFIT ITNDRLSSAN LYINGVLMGS AEITGLGAIR DATA SEQUENCE EDNNITLKLD RCNNNNQYVS IDKFRIFcKA LNPKEIEKLY TSYLSITFLR DATA SEQUENCE DFWGNPLRYD TEYYLIPVAS SSKDVQLKNI TDYMYLTNAP SYTNGKLNIY DATA SEQUENCE YRRLYNGLKF IIKRYTPNNE IDSFVKSGDF IKLYVSYNNN EHIVGYPKDG DATA SEQUENCE NAFNNLDRIL RVGYNAPGIP LYKKMEAVKL RDLKTYSVQL KLYDDKNASL DATA SEQUENCE GLVGTHNGQI GNDPNRDILI ASNWYFNHLK DKILGCDWYF VPTDEGWTND 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 866 N HA 0.000 nan 4.740 nan 0.000 0.220 866 N C 0.000 175.551 175.510 0.068 0.000 1.280 866 N CA 0.000 53.084 53.050 0.056 0.000 0.885 866 N CB 0.000 38.524 38.487 0.062 0.000 1.341 867 L N 1.383 122.656 121.223 0.083 0.000 2.872 867 L HA 0.319 4.659 4.340 0.000 0.000 0.245 867 L C 0.059 177.002 176.870 0.122 0.000 1.211 867 L CA -0.329 54.574 54.840 0.104 0.000 1.013 867 L CB -0.058 42.075 42.059 0.124 0.000 1.326 867 L HN 0.385 nan 8.230 nan 0.000 0.525 868 D N -0.128 120.343 120.400 0.117 0.000 2.383 868 D HA 0.229 4.869 4.640 0.000 0.000 0.248 868 D C 0.380 176.775 176.300 0.159 0.000 1.170 868 D CA -0.234 53.848 54.000 0.137 0.000 0.977 868 D CB 1.588 42.465 40.800 0.130 0.000 1.120 868 D HN 0.154 nan 8.370 nan 0.000 0.481 869 c N -1.352 117.362 118.600 0.191 0.000 2.372 869 c HA 0.747 5.317 4.570 0.000 0.000 0.352 869 c C 0.278 174.567 174.090 0.331 0.000 2.624 869 c CA -0.707 55.748 56.329 0.211 0.000 1.817 869 c CB -0.450 42.181 42.510 0.203 0.000 2.051 869 c HN 0.861 nan 8.230 nan 0.000 0.412 876 D N 1.409 121.740 120.400 -0.115 0.000 2.383 876 D HA 0.178 4.819 4.640 0.000 0.000 0.252 876 D C 1.226 177.446 176.300 -0.134 0.000 1.166 876 D CA 0.296 54.233 54.000 -0.105 0.000 0.879 876 D CB 0.651 41.402 40.800 -0.080 0.000 1.164 876 D HN 0.443 nan 8.370 nan 0.000 0.462 877 I N 2.765 123.262 120.570 -0.122 0.000 2.208 877 I HA -0.265 3.906 4.170 0.000 0.000 0.245 877 I C 1.476 177.520 176.117 -0.122 0.000 1.097 877 I CA 0.959 62.178 61.300 -0.134 0.000 1.363 877 I CB -0.134 37.793 38.000 -0.122 0.000 1.051 877 I HN 0.541 nan 8.210 nan 0.000 0.413 878 D N 0.568 120.908 120.400 -0.101 0.000 2.149 878 D HA -0.137 4.503 4.640 0.000 0.000 0.198 878 D C 2.350 178.606 176.300 -0.074 0.000 0.990 878 D CA 1.241 55.191 54.000 -0.084 0.000 0.839 878 D CB -0.231 40.523 40.800 -0.075 0.000 0.948 878 D HN 0.209 nan 8.370 nan 0.000 0.460 879 V N 1.532 121.393 119.914 -0.089 0.000 2.307 879 V HA -0.210 3.910 4.120 0.000 0.000 0.245 879 V C 2.595 178.618 176.094 -0.118 0.000 1.045 879 V CA 1.044 63.290 62.300 -0.090 0.000 1.024 879 V CB -0.389 31.372 31.823 -0.102 0.000 0.651 879 V HN 0.163 nan 8.190 nan 0.000 0.449 880 I N -0.291 120.170 120.570 -0.181 0.000 2.127 880 I HA -0.286 3.884 4.170 0.000 0.000 0.241 880 I C 2.420 178.490 176.117 -0.078 0.000 1.075 880 I CA 1.728 62.895 61.300 -0.222 0.000 1.334 880 I CB -0.444 37.395 38.000 -0.269 0.000 1.040 880 I HN 0.251 nan 8.210 nan 0.000 0.405 881 L N 0.629 121.827 121.223 -0.042 0.000 2.012 881 L HA -0.276 4.064 4.340 0.000 0.000 0.210 881 L C 2.704 179.696 176.870 0.204 0.000 1.073 881 L CA 1.693 56.593 54.840 0.100 0.000 0.748 881 L CB -0.673 41.418 42.059 0.053 0.000 0.891 881 L HN 0.268 nan 8.230 nan 0.000 0.431 882 K N 0.674 121.124 120.400 0.084 0.000 2.026 882 K HA -0.205 4.115 4.320 0.000 0.000 0.208 882 K C 2.149 178.798 176.600 0.082 0.000 1.048 882 K CA 1.519 57.847 56.287 0.068 0.000 0.929 882 K CB 0.021 32.533 32.500 0.020 0.000 0.713 882 K HN 0.186 nan 8.250 nan 0.000 0.439 883 K N 0.342 120.781 120.400 0.065 0.000 2.148 883 K HA -0.070 4.250 4.320 0.000 0.000 0.204 883 K C 1.955 178.654 176.600 0.165 0.000 1.050 883 K CA 1.565 57.912 56.287 0.100 0.000 0.942 883 K CB 0.014 32.555 32.500 0.068 0.000 0.724 883 K HN 0.273 nan 8.250 nan 0.000 0.446 884 S N -0.106 115.701 115.700 0.178 0.000 2.593 884 S HA 0.022 4.492 4.470 0.000 0.000 0.217 884 S C 0.612 175.359 174.600 0.244 0.000 0.966 884 S CA -0.267 58.077 58.200 0.241 0.000 0.914 884 S CB 0.042 63.390 63.200 0.247 0.000 0.776 884 S HN -0.058 nan 8.310 nan 0.000 0.523 885 T N 3.562 118.203 114.554 0.144 0.000 2.814 885 T HA 0.430 4.780 4.350 0.000 0.000 0.297 885 T C 1.041 175.782 174.700 0.068 0.000 0.956 885 T CA -0.321 61.713 62.100 -0.110 0.000 1.123 885 T CB 0.737 69.503 68.868 -0.170 0.000 0.902 885 T HN 0.533 nan 8.240 nan 0.000 0.528 886 I N 0.805 121.357 120.570 -0.030 0.000 4.154 886 I HA 0.569 4.739 4.170 0.000 0.000 0.334 886 I C -0.548 175.581 176.117 0.019 0.000 1.371 886 I CA -0.297 60.996 61.300 -0.012 0.000 1.110 886 I CB 0.555 38.392 38.000 -0.271 0.000 1.085 886 I HN 0.309 nan 8.210 nan 0.000 0.398 887 L N 1.845 123.055 121.223 -0.021 0.000 2.641 887 L HA 0.585 4.926 4.340 0.000 0.000 0.261 887 L C -2.122 174.723 176.870 -0.043 0.000 0.926 887 L CA -0.250 54.603 54.840 0.021 0.000 0.917 887 L CB 1.899 43.987 42.059 0.049 0.000 1.361 887 L HN 0.147 nan 8.230 nan 0.000 0.417 888 N N 5.034 123.758 118.700 0.041 0.000 2.594 888 N HA 0.395 5.135 4.740 0.000 0.000 0.280 888 N C -1.727 173.852 175.510 0.115 0.000 1.156 888 N CA -0.323 52.753 53.050 0.044 0.000 0.831 888 N CB 1.318 39.820 38.487 0.025 0.000 1.379 888 N HN 0.670 nan 8.380 nan 0.000 0.536 889 L N 1.913 123.242 121.223 0.177 0.000 2.369 889 L HA 0.307 4.647 4.340 0.000 0.000 0.279 889 L C 0.225 177.186 176.870 0.151 0.000 1.108 889 L CA -0.122 54.832 54.840 0.189 0.000 0.852 889 L CB 0.490 42.709 42.059 0.267 0.000 1.169 889 L HN 0.451 nan 8.230 nan 0.000 0.452 890 D N 3.837 124.303 120.400 0.110 0.000 2.419 890 D HA 0.598 5.238 4.640 0.000 0.000 0.234 890 D C -0.863 175.474 176.300 0.062 0.000 1.014 890 D CA -0.399 53.649 54.000 0.081 0.000 0.919 890 D CB 2.004 42.842 40.800 0.063 0.000 1.366 890 D HN 0.256 nan 8.370 nan 0.000 0.490 891 I N 2.703 123.296 120.570 0.038 0.000 2.439 891 I HA 0.367 4.537 4.170 0.000 0.000 0.283 891 I C -0.646 175.477 176.117 0.010 0.000 1.023 891 I CA -0.751 60.566 61.300 0.029 0.000 1.100 891 I CB 1.181 39.199 38.000 0.029 0.000 1.238 891 I HN 0.132 nan 8.210 nan 0.000 0.445 892 N N 5.631 124.340 118.700 0.014 0.000 2.229 892 N HA 0.341 5.081 4.740 0.000 0.000 0.298 892 N C -0.426 175.091 175.510 0.012 0.000 1.114 892 N CA -0.658 52.397 53.050 0.007 0.000 0.776 892 N CB 1.909 40.400 38.487 0.007 0.000 1.501 892 N HN 0.487 nan 8.380 nan 0.000 0.474 893 N N 1.373 120.079 118.700 0.010 0.000 2.721 893 N HA -0.186 4.554 4.740 0.000 0.000 0.249 893 N C -1.003 174.516 175.510 0.015 0.000 1.072 893 N CA 0.927 53.984 53.050 0.013 0.000 0.710 893 N CB -0.837 37.657 38.487 0.013 0.000 0.993 893 N HN 0.693 nan 8.380 nan 0.000 0.547 894 D N -1.520 118.889 120.400 0.016 0.000 2.837 894 D HA -0.196 4.444 4.640 0.000 0.000 0.230 894 D C -0.152 176.161 176.300 0.023 0.000 1.152 894 D CA 0.961 54.973 54.000 0.020 0.000 0.736 894 D CB -0.723 40.089 40.800 0.020 0.000 1.084 894 D HN 0.468 nan 8.370 nan 0.000 0.429 895 I N 0.797 121.381 120.570 0.023 0.000 2.545 895 I HA 0.372 4.542 4.170 0.000 0.000 0.292 895 I C 0.718 176.856 176.117 0.035 0.000 1.040 895 I CA -0.774 60.541 61.300 0.025 0.000 1.068 895 I CB 1.912 39.924 38.000 0.020 0.000 1.251 895 I HN -0.160 nan 8.210 nan 0.000 0.424 896 I N 5.149 125.745 120.570 0.043 0.000 2.342 896 I HA 0.376 4.546 4.170 0.000 0.000 0.291 896 I C 0.319 176.471 176.117 0.060 0.000 1.010 896 I CA 0.024 61.360 61.300 0.059 0.000 1.308 896 I CB 1.347 39.389 38.000 0.071 0.000 1.400 896 I HN 0.683 nan 8.210 nan 0.000 0.488 897 S N 2.873 118.614 115.700 0.068 0.000 2.596 897 S HA 0.380 4.850 4.470 0.000 0.000 0.270 897 S C -1.284 173.366 174.600 0.084 0.000 1.155 897 S CA -1.078 57.163 58.200 0.069 0.000 0.827 897 S CB 2.077 65.308 63.200 0.051 0.000 1.130 897 S HN 0.569 nan 8.310 nan 0.000 0.467 898 D N 0.799 121.252 120.400 0.088 0.000 2.295 898 D HA 0.373 5.013 4.640 0.000 0.000 0.248 898 D C 0.756 177.102 176.300 0.076 0.000 1.154 898 D CA -0.698 53.361 54.000 0.099 0.000 0.857 898 D CB 0.424 41.294 40.800 0.117 0.000 1.117 898 D HN 0.647 nan 8.370 nan 0.000 0.468 899 I N 1.124 121.735 120.570 0.069 0.000 3.889 899 I HA 0.179 4.349 4.170 0.000 0.000 0.332 899 I C 1.131 177.269 176.117 0.036 0.000 1.493 899 I CA -0.391 60.935 61.300 0.044 0.000 1.158 899 I CB 0.078 38.100 38.000 0.038 0.000 1.117 899 I HN 0.215 nan 8.210 nan 0.000 0.411 900 S N 0.853 116.592 115.700 0.065 0.000 2.387 900 S HA 0.197 4.667 4.470 0.000 0.000 0.226 900 S C 1.737 176.326 174.600 -0.018 0.000 1.026 900 S CA 1.062 59.311 58.200 0.081 0.000 0.972 900 S CB -0.152 63.179 63.200 0.219 0.000 0.814 900 S HN 0.787 nan 8.310 nan 0.000 0.477 901 G N 0.030 108.793 108.800 -0.062 0.000 2.428 901 G HA2 -0.166 3.794 3.960 0.000 0.000 0.199 901 G HA3 -0.166 3.794 3.960 0.000 0.000 0.199 901 G C 0.493 175.210 174.900 -0.305 0.000 1.005 901 G CA 0.026 44.991 45.100 -0.225 0.000 0.671 901 G HN 0.478 nan 8.290 nan 0.000 0.485 902 F N 1.707 121.662 119.950 0.009 0.000 2.780 902 F HA 0.322 4.849 4.527 0.001 0.000 0.299 902 F C 1.528 177.332 175.800 0.006 0.000 1.146 902 F CA 0.418 58.421 58.000 0.005 0.000 1.428 902 F CB 0.074 39.074 39.000 -0.000 0.000 1.115 902 F HN 0.209 nan 8.300 nan 0.000 0.583 903 N N 1.588 120.366 118.700 0.129 0.000 2.669 903 N HA -0.217 4.524 4.740 0.000 0.000 0.266 903 N C -0.659 174.913 175.510 0.104 0.000 1.024 903 N CA 0.496 53.601 53.050 0.092 0.000 0.766 903 N CB -0.676 37.841 38.487 0.051 0.000 0.898 903 N HN 0.079 nan 8.380 nan 0.000 0.548 904 S N 0.611 116.382 115.700 0.118 0.000 2.548 904 S HA 0.237 4.707 4.470 0.000 0.000 0.277 904 S C 0.569 175.228 174.600 0.098 0.000 1.315 904 S CA -0.340 57.916 58.200 0.092 0.000 1.050 904 S CB 1.069 64.319 63.200 0.084 0.000 0.918 904 S HN 0.543 nan 8.310 nan 0.000 0.497 905 S N 2.146 117.912 115.700 0.109 0.000 2.564 905 S HA 0.426 4.896 4.470 0.000 0.000 0.278 905 S C -0.304 174.363 174.600 0.111 0.000 1.333 905 S CA -0.737 57.526 58.200 0.106 0.000 1.048 905 S CB 0.372 63.639 63.200 0.112 0.000 0.900 905 S HN 0.399 nan 8.310 nan 0.000 0.505 906 V N 4.135 124.098 119.914 0.083 0.000 2.409 906 V HA 0.403 4.523 4.120 0.000 0.000 0.291 906 V C -0.470 175.654 176.094 0.050 0.000 1.020 906 V CA -0.838 61.510 62.300 0.081 0.000 0.848 906 V CB 1.325 33.197 31.823 0.082 0.000 0.990 906 V HN 0.825 nan 8.190 nan 0.000 0.430 907 I N 3.774 124.378 120.570 0.057 0.000 2.330 907 I HA 0.362 4.532 4.170 0.000 0.000 0.289 907 I C 0.382 176.510 176.117 0.019 0.000 1.001 907 I CA 0.013 61.307 61.300 -0.010 0.000 1.193 907 I CB 1.457 39.448 38.000 -0.014 0.000 1.345 907 I HN 0.520 nan 8.210 nan 0.000 0.461 908 T N 6.735 121.255 114.554 -0.057 0.000 2.743 908 T HA 0.442 4.792 4.350 0.000 0.000 0.292 908 T C -0.160 174.482 174.700 -0.097 0.000 0.972 908 T CA -0.247 61.861 62.100 0.012 0.000 0.967 908 T CB 0.332 69.211 68.868 0.018 0.000 0.926 908 T HN 0.129 nan 8.240 nan 0.000 0.459 909 Y N 4.086 124.385 120.300 -0.002 0.000 2.300 909 Y HA 0.218 4.769 4.550 0.001 0.000 0.328 909 Y C -0.837 175.064 175.900 0.000 0.000 1.270 909 Y CA -1.986 56.111 58.100 -0.005 0.000 1.352 909 Y CB 0.175 38.627 38.460 -0.013 0.000 1.286 909 Y HN 0.439 nan 8.280 nan 0.000 0.536 910 P HA -0.261 nan 4.420 nan 0.000 0.218 910 P C 0.472 177.812 177.300 0.067 0.000 1.154 910 P CA 2.009 65.147 63.100 0.064 0.000 0.872 910 P CB 0.349 32.083 31.700 0.055 0.000 0.790 911 D N -0.949 119.500 120.400 0.083 0.000 2.427 911 D HA 0.288 4.928 4.640 0.000 0.000 0.224 911 D C -0.116 176.222 176.300 0.065 0.000 1.157 911 D CA -0.361 53.675 54.000 0.060 0.000 0.828 911 D CB -0.485 40.338 40.800 0.039 0.000 0.974 911 D HN 0.033 nan 8.370 nan 0.000 0.498 912 A N 0.742 123.612 122.820 0.083 0.000 2.302 912 A HA 0.427 4.748 4.320 0.000 0.000 0.295 912 A C 0.250 177.890 177.584 0.093 0.000 1.235 912 A CA -0.325 51.763 52.037 0.085 0.000 0.876 912 A CB 0.341 19.401 19.000 0.100 0.000 1.133 912 A HN 0.178 nan 8.150 nan 0.000 0.533 913 Q N 1.193 121.066 119.800 0.123 0.000 2.205 913 Q HA 0.652 4.992 4.340 0.000 0.000 0.249 913 Q C -0.963 175.128 176.000 0.152 0.000 0.948 913 Q CA -0.461 55.423 55.803 0.135 0.000 0.895 913 Q CB 1.941 30.781 28.738 0.171 0.000 1.249 913 Q HN 0.723 nan 8.270 nan 0.000 0.458 914 L N 2.122 123.406 121.223 0.101 0.000 2.322 914 L HA 0.683 5.023 4.340 0.000 0.000 0.281 914 L C -0.403 176.504 176.870 0.063 0.000 1.014 914 L CA -0.878 54.019 54.840 0.094 0.000 0.815 914 L CB 1.377 43.475 42.059 0.064 0.000 1.247 914 L HN 0.479 nan 8.230 nan 0.000 0.421 915 V N 1.208 121.173 119.914 0.085 0.000 3.156 915 V HA 0.681 4.801 4.120 0.000 0.000 0.310 915 V C -2.772 173.379 176.094 0.094 0.000 1.234 915 V CA -2.687 59.644 62.300 0.052 0.000 1.065 915 V CB 1.794 33.608 31.823 -0.015 0.000 1.088 915 V HN 0.461 nan 8.190 nan 0.000 0.451 916 P HA 0.395 nan 4.420 nan 0.000 0.265 916 P C 0.042 177.399 177.300 0.095 0.000 1.193 916 P CA 0.981 64.127 63.100 0.077 0.000 0.765 916 P CB 0.531 32.298 31.700 0.112 0.000 0.823 917 G N 1.353 110.066 108.800 -0.145 0.000 3.075 917 G HA2 0.287 4.248 3.960 0.000 0.000 0.253 917 G HA3 0.287 4.248 3.960 0.000 0.000 0.253 917 G C 0.413 174.841 174.900 -0.787 0.000 1.353 917 G CA -0.525 44.271 45.100 -0.507 0.000 1.051 917 G HN 0.420 nan 8.290 nan 0.000 0.553 918 I N -0.598 119.294 120.570 -1.130 0.000 2.546 918 I HA 0.131 4.301 4.170 0.000 0.000 0.255 918 I C 0.472 176.162 176.117 -0.712 0.000 1.163 918 I CA 0.644 61.291 61.300 -1.089 0.000 1.457 918 I CB 0.165 37.148 38.000 -1.696 0.000 1.092 918 I HN 0.390 nan 8.210 nan 0.000 0.434 919 N N 0.283 118.630 118.700 -0.587 0.000 2.785 919 N HA 0.342 5.082 4.740 0.000 0.000 0.224 919 N C -0.232 175.049 175.510 -0.381 0.000 1.448 919 N CA 0.677 53.442 53.050 -0.475 0.000 0.748 919 N CB 0.335 38.609 38.487 -0.355 0.000 1.385 919 N HN 0.410 nan 8.380 nan 0.000 0.538 920 G N 1.691 110.268 108.800 -0.372 0.000 2.395 920 G HA2 -0.113 3.847 3.960 0.000 0.000 0.201 920 G HA3 -0.113 3.847 3.960 0.000 0.000 0.201 920 G C -1.381 173.406 174.900 -0.188 0.000 1.206 920 G CA -0.716 44.233 45.100 -0.251 0.000 1.210 920 G HN 0.340 nan 8.290 nan 0.000 0.557 921 K N 0.345 120.675 120.400 -0.117 0.000 2.185 921 K HA 0.797 5.117 4.320 0.000 0.000 0.240 921 K C 0.025 176.603 176.600 -0.037 0.000 0.983 921 K CA -0.032 56.221 56.287 -0.056 0.000 0.873 921 K CB 2.059 34.553 32.500 -0.009 0.000 1.118 921 K HN 1.088 nan 8.250 nan 0.000 0.441 922 A N 1.434 124.283 122.820 0.048 0.000 2.479 922 A HA 0.607 4.927 4.320 0.000 0.000 0.296 922 A C -0.733 176.981 177.584 0.218 0.000 1.121 922 A CA -0.879 51.236 52.037 0.131 0.000 0.743 922 A CB 0.660 19.778 19.000 0.196 0.000 1.323 922 A HN 0.660 nan 8.150 nan 0.000 0.415 923 I N 1.165 121.886 120.570 0.251 0.000 2.441 923 I HA 0.229 4.399 4.170 0.000 0.000 0.287 923 I C -0.153 176.145 176.117 0.301 0.000 1.049 923 I CA 0.054 61.490 61.300 0.228 0.000 1.381 923 I CB 0.740 38.845 38.000 0.174 0.000 1.409 923 I HN 0.741 nan 8.210 nan 0.000 0.523 924 H N 6.675 125.826 119.070 0.135 0.000 2.589 924 H HA 0.588 5.144 4.556 0.000 0.000 0.335 924 H C -1.387 173.990 175.328 0.082 0.000 1.019 924 H CA -0.458 55.659 56.048 0.114 0.000 1.213 924 H CB 1.101 30.906 29.762 0.072 0.000 1.472 924 H HN 0.416 nan 8.280 nan 0.000 0.508 925 L N 6.459 127.511 121.223 -0.286 0.000 2.313 925 L HA 0.496 4.836 4.340 0.000 0.000 0.283 925 L C -0.187 176.534 176.870 -0.248 0.000 1.013 925 L CA -1.225 53.503 54.840 -0.187 0.000 0.816 925 L CB 1.555 43.569 42.059 -0.075 0.000 1.236 925 L HN 0.450 nan 8.230 nan 0.000 0.419 926 V N -0.250 119.577 119.914 -0.146 0.000 3.193 926 V HA 0.496 4.617 4.120 0.000 0.000 0.320 926 V C -0.024 176.029 176.094 -0.068 0.000 1.112 926 V CA -0.882 61.371 62.300 -0.079 0.000 1.026 926 V CB 1.792 33.592 31.823 -0.039 0.000 1.128 926 V HN 0.724 nan 8.190 nan 0.000 0.452 927 N N 2.874 121.532 118.700 -0.070 0.000 3.188 927 N HA 0.295 5.035 4.740 0.000 0.000 0.279 927 N C -0.784 174.674 175.510 -0.086 0.000 1.213 927 N CA -0.081 52.905 53.050 -0.105 0.000 1.138 927 N CB -1.106 37.281 38.487 -0.167 0.000 1.417 927 N HN 1.058 nan 8.380 nan 0.000 0.526 928 N N -1.127 117.531 118.700 -0.070 0.000 2.598 928 N HA 0.207 4.947 4.740 0.000 0.000 0.263 928 N C 0.209 175.681 175.510 -0.063 0.000 1.254 928 N CA -0.630 52.384 53.050 -0.059 0.000 0.863 928 N CB 0.889 39.353 38.487 -0.039 0.000 1.586 928 N HN -0.224 nan 8.380 nan 0.000 0.491 929 E N 0.207 120.369 120.200 -0.064 0.000 2.219 929 E HA -0.119 4.231 4.350 0.000 0.000 0.198 929 E C 0.620 177.169 176.600 -0.086 0.000 0.998 929 E CA 1.255 57.605 56.400 -0.083 0.000 0.818 929 E CB -0.341 29.316 29.700 -0.071 0.000 0.741 929 E HN 0.647 nan 8.360 nan 0.000 0.477 930 S N 0.252 115.932 115.700 -0.033 0.000 2.522 930 S HA -0.002 4.468 4.470 0.000 0.000 0.227 930 S C 1.084 175.704 174.600 0.034 0.000 0.986 930 S CA 0.013 58.226 58.200 0.021 0.000 0.929 930 S CB 0.165 63.391 63.200 0.044 0.000 0.769 930 S HN 0.015 nan 8.310 nan 0.000 0.529 931 S N 2.533 118.225 115.700 -0.014 0.000 2.592 931 S HA 0.305 4.775 4.470 0.000 0.000 0.305 931 S C -0.465 174.113 174.600 -0.036 0.000 1.118 931 S CA -0.630 57.568 58.200 -0.004 0.000 1.075 931 S CB -0.396 62.790 63.200 -0.022 0.000 1.107 931 S HN 0.578 nan 8.310 nan 0.000 0.503 932 E N 1.547 121.745 120.200 -0.003 0.000 2.396 932 E HA 0.523 4.873 4.350 0.000 0.000 0.280 932 E C -1.904 174.746 176.600 0.084 0.000 1.065 932 E CA -1.086 55.288 56.400 -0.044 0.000 0.831 932 E CB 1.045 30.619 29.700 -0.210 0.000 1.272 932 E HN 0.209 nan 8.360 nan 0.000 0.443 933 V N 2.500 122.444 119.914 0.048 0.000 2.531 933 V HA 0.488 4.608 4.120 0.000 0.000 0.301 933 V C -0.414 175.715 176.094 0.059 0.000 1.034 933 V CA -0.577 61.786 62.300 0.106 0.000 0.865 933 V CB 1.414 33.272 31.823 0.059 0.000 0.995 933 V HN 0.625 nan 8.190 nan 0.000 0.424 934 I N 4.553 125.204 120.570 0.134 0.000 2.433 934 I HA 0.512 4.682 4.170 0.000 0.000 0.292 934 I C -0.693 175.481 176.117 0.096 0.000 1.001 934 I CA -0.920 60.432 61.300 0.088 0.000 1.119 934 I CB 2.223 40.304 38.000 0.136 0.000 1.289 934 I HN 0.270 nan 8.210 nan 0.000 0.438 935 V N 5.194 125.153 119.914 0.075 0.000 2.347 935 V HA 0.196 4.316 4.120 0.000 0.000 0.280 935 V C -0.393 175.785 176.094 0.140 0.000 1.021 935 V CA -0.643 61.724 62.300 0.111 0.000 0.847 935 V CB 1.120 33.017 31.823 0.123 0.000 0.990 935 V HN 0.555 nan 8.190 nan 0.000 0.444 936 H N 4.772 123.863 119.070 0.034 0.000 2.761 936 H HA 0.391 4.947 4.556 0.000 0.000 0.284 936 H C 0.169 175.505 175.328 0.013 0.000 1.105 936 H CA -0.623 55.434 56.048 0.014 0.000 1.352 936 H CB 0.455 30.226 29.762 0.014 0.000 1.423 936 H HN 0.539 nan 8.280 nan 0.000 0.464 937 K N 3.380 123.647 120.400 -0.222 0.000 2.484 937 K HA 0.256 4.576 4.320 0.000 0.000 0.280 937 K C 0.196 176.617 176.600 -0.299 0.000 1.013 937 K CA 0.221 56.383 56.287 -0.208 0.000 1.029 937 K CB 0.544 32.927 32.500 -0.195 0.000 0.902 937 K HN 0.695 nan 8.250 nan 0.000 0.481 938 A N 3.779 126.510 122.820 -0.150 0.000 2.425 938 A HA 0.019 4.340 4.320 0.000 0.000 0.242 938 A C 1.200 178.682 177.584 -0.170 0.000 1.077 938 A CA -0.146 51.828 52.037 -0.104 0.000 0.781 938 A CB 0.102 19.121 19.000 0.031 0.000 1.020 938 A HN 0.915 nan 8.150 nan 0.000 0.494 939 M N 0.359 119.876 119.600 -0.137 0.000 2.267 939 M HA -0.150 4.331 4.480 0.000 0.000 0.263 939 M C 0.561 176.767 176.300 -0.156 0.000 1.063 939 M CA 1.489 56.686 55.300 -0.172 0.000 1.090 939 M CB -0.471 32.078 32.600 -0.084 0.000 1.392 939 M HN 0.707 nan 8.290 nan 0.000 0.422 940 D N 0.522 120.881 120.400 -0.069 0.000 2.371 940 D HA -0.003 4.637 4.640 0.000 0.000 0.221 940 D C 1.596 177.769 176.300 -0.212 0.000 0.986 940 D CA 1.044 55.019 54.000 -0.043 0.000 0.899 940 D CB 0.159 41.062 40.800 0.171 0.000 0.902 940 D HN 0.613 nan 8.370 nan 0.000 0.530 941 I N -3.329 117.071 120.570 -0.284 0.000 4.557 941 I HA 0.206 4.376 4.170 0.000 0.000 0.333 941 I C 1.742 177.701 176.117 -0.263 0.000 1.332 941 I CA -0.301 60.802 61.300 -0.329 0.000 1.240 941 I CB 0.319 38.061 38.000 -0.429 0.000 1.312 941 I HN -0.307 nan 8.210 nan 0.000 0.457 942 E N 2.236 122.225 120.200 -0.352 0.000 2.136 942 E HA -0.260 4.090 4.350 0.000 0.000 0.202 942 E C 0.665 177.029 176.600 -0.393 0.000 1.019 942 E CA 2.255 58.365 56.400 -0.482 0.000 0.819 942 E CB -0.227 28.987 29.700 -0.811 0.000 0.739 942 E HN 0.803 nan 8.360 nan 0.000 0.458 943 Y N 0.045 120.295 120.300 -0.082 0.000 2.756 943 Y HA 0.159 4.709 4.550 0.000 0.000 0.300 943 Y C 1.566 177.419 175.900 -0.078 0.000 1.113 943 Y CA -0.565 57.486 58.100 -0.081 0.000 1.291 943 Y CB -0.035 38.399 38.460 -0.042 0.000 1.175 943 Y HN 0.137 nan 8.280 nan 0.000 0.534 944 N N 1.854 120.553 118.700 -0.002 0.000 2.084 944 N HA -0.181 4.559 4.740 0.000 0.000 0.190 944 N C 0.671 176.158 175.510 -0.039 0.000 1.030 944 N CA 1.929 54.967 53.050 -0.020 0.000 0.849 944 N CB -0.087 38.356 38.487 -0.073 0.000 1.012 944 N HN 0.484 nan 8.380 nan 0.000 0.423 945 D N -0.061 120.234 120.400 -0.174 0.000 2.722 945 D HA 0.009 4.649 4.640 0.000 0.000 0.239 945 D C 1.443 177.610 176.300 -0.222 0.000 1.249 945 D CA -0.273 53.526 54.000 -0.335 0.000 0.830 945 D CB -0.087 40.018 40.800 -1.159 0.000 1.025 945 D HN 0.382 nan 8.370 nan 0.000 0.486 946 M N -0.794 118.692 119.600 -0.190 0.000 2.248 946 M HA 0.047 4.528 4.480 0.000 0.000 0.265 946 M C 0.293 176.216 176.300 -0.629 0.000 1.079 946 M CA 1.480 56.506 55.300 -0.456 0.000 1.150 946 M CB 0.194 32.433 32.600 -0.602 0.000 1.366 946 M HN 0.005 nan 8.290 nan 0.000 0.433 947 F N -1.149 118.833 119.950 0.054 0.000 2.819 947 F HA 0.290 4.817 4.527 -0.000 0.000 0.325 947 F C 0.602 176.462 175.800 0.100 0.000 1.041 947 F CA -0.745 57.296 58.000 0.068 0.000 1.184 947 F CB -0.163 38.864 39.000 0.044 0.000 1.019 947 F HN -0.022 nan 8.300 nan 0.000 0.590 948 N N 1.089 119.947 118.700 0.264 0.000 2.413 948 N HA 0.160 4.901 4.740 0.000 0.000 0.266 948 N C -0.489 175.195 175.510 0.291 0.000 1.238 948 N CA -0.315 52.876 53.050 0.235 0.000 0.972 948 N CB 0.329 38.933 38.487 0.195 0.000 1.210 948 N HN 0.150 nan 8.380 nan 0.000 0.547 949 N N -0.383 118.476 118.700 0.264 0.000 2.503 949 N HA 0.379 5.119 4.740 0.000 0.000 0.267 949 N C -0.888 174.863 175.510 0.402 0.000 1.214 949 N CA -0.055 53.167 53.050 0.287 0.000 0.959 949 N CB 0.527 39.102 38.487 0.146 0.000 1.142 949 N HN 0.402 nan 8.380 nan 0.000 0.455 950 F N -2.207 117.775 119.950 0.054 0.000 2.719 950 F HA 0.518 5.045 4.527 -0.000 0.000 0.309 950 F C -1.375 174.416 175.800 -0.016 0.000 1.138 950 F CA -0.911 57.114 58.000 0.042 0.000 0.943 950 F CB 1.042 40.071 39.000 0.048 0.000 1.304 950 F HN 0.131 nan 8.300 nan 0.000 0.445 951 T N 1.853 116.380 114.554 -0.045 0.000 2.893 951 T HA 0.695 5.045 4.350 0.000 0.000 0.293 951 T C -1.437 173.223 174.700 -0.067 0.000 1.027 951 T CA -0.676 61.298 62.100 -0.211 0.000 0.988 951 T CB 2.074 70.841 68.868 -0.168 0.000 1.043 951 T HN 0.633 nan 8.240 nan 0.000 0.461 952 V N 3.244 122.975 119.914 -0.305 0.000 2.495 952 V HA 0.796 4.916 4.120 0.000 0.000 0.298 952 V C -0.183 175.778 176.094 -0.223 0.000 1.031 952 V CA -0.696 61.449 62.300 -0.258 0.000 0.871 952 V CB 1.716 33.321 31.823 -0.363 0.000 0.988 952 V HN 1.079 nan 8.190 nan 0.000 0.432 953 S N 4.299 119.936 115.700 -0.105 0.000 2.569 953 S HA 0.996 5.466 4.470 0.000 0.000 0.280 953 S C -1.012 173.617 174.600 0.047 0.000 1.111 953 S CA -0.731 57.326 58.200 -0.238 0.000 0.887 953 S CB 2.448 65.598 63.200 -0.083 0.000 1.095 953 S HN 1.276 nan 8.310 nan 0.000 0.476 954 F N -3.112 116.679 119.950 -0.265 0.000 2.765 954 F HA 0.631 5.158 4.527 -0.000 0.000 0.313 954 F C -2.135 173.698 175.800 0.055 0.000 1.136 954 F CA -1.808 56.243 58.000 0.084 0.000 0.952 954 F CB -0.085 39.099 39.000 0.308 0.000 1.268 954 F HN 0.667 nan 8.300 nan 0.000 0.441 955 W N 3.122 124.681 121.300 0.432 0.000 2.261 955 W HA 0.682 5.342 4.660 0.000 0.000 0.323 955 W C -0.723 176.228 176.519 0.720 0.000 1.243 955 W CA -0.385 57.245 57.345 0.476 0.000 1.210 955 W CB 1.526 31.142 29.460 0.260 0.000 1.149 955 W HN 0.666 nan 8.180 nan 0.000 0.562 956 L N 3.450 125.181 121.223 0.846 0.000 2.422 956 L HA 0.619 4.959 4.340 0.000 0.000 0.264 956 L C -1.039 176.031 176.870 0.334 0.000 0.984 956 L CA -1.168 54.052 54.840 0.634 0.000 0.819 956 L CB 1.884 44.227 42.059 0.473 0.000 1.330 956 L HN 0.472 nan 8.230 nan 0.000 0.410 957 R N 3.828 124.283 120.500 -0.075 0.000 2.502 957 R HA 0.777 5.117 4.340 0.000 0.000 0.298 957 R C -2.149 174.059 176.300 -0.153 0.000 1.018 957 R CA -0.519 55.358 56.100 -0.371 0.000 0.899 957 R CB 1.841 31.379 30.300 -1.271 0.000 1.181 957 R HN 0.560 nan 8.270 nan 0.000 0.444 958 V N 6.456 126.331 119.914 -0.066 0.000 2.588 958 V HA 0.469 4.589 4.120 0.000 0.000 0.304 958 V C -2.024 174.009 176.094 -0.101 0.000 1.042 958 V CA -1.948 60.318 62.300 -0.056 0.000 0.877 958 V CB 1.956 33.789 31.823 0.016 0.000 0.996 958 V HN 0.760 nan 8.190 nan 0.000 0.425 959 P HA 0.050 nan 4.420 nan 0.000 0.269 959 P C -0.676 176.531 177.300 -0.155 0.000 1.217 959 P CA -0.351 62.621 63.100 -0.214 0.000 0.783 959 P CB 0.938 32.386 31.700 -0.421 0.000 0.898 960 K N 1.759 122.065 120.400 -0.156 0.000 2.379 960 K HA 0.171 4.491 4.320 0.000 0.000 0.284 960 K C -0.556 175.917 176.600 -0.213 0.000 1.044 960 K CA -0.451 55.696 56.287 -0.234 0.000 0.974 960 K CB 0.130 32.309 32.500 -0.534 0.000 0.962 960 K HN 0.177 nan 8.250 nan 0.000 0.474 961 V N 4.971 124.804 119.914 -0.135 0.000 2.470 961 V HA -0.013 4.107 4.120 0.000 0.000 0.276 961 V C 0.575 176.620 176.094 -0.082 0.000 1.040 961 V CA -0.389 61.883 62.300 -0.047 0.000 1.008 961 V CB 0.637 32.477 31.823 0.030 0.000 0.990 961 V HN 0.981 nan 8.190 nan 0.000 0.477 962 S N 4.699 120.343 115.700 -0.094 0.000 2.580 962 S HA 0.334 4.804 4.470 0.000 0.000 0.266 962 S C 1.438 176.004 174.600 -0.057 0.000 1.354 962 S CA 0.035 58.142 58.200 -0.155 0.000 1.008 962 S CB 1.160 64.186 63.200 -0.290 0.000 0.898 962 S HN 1.048 nan 8.310 nan 0.000 0.555 963 A N 1.870 124.666 122.820 -0.041 0.000 1.902 963 A HA -0.021 4.299 4.320 0.000 0.000 0.217 963 A C 2.399 179.998 177.584 0.024 0.000 1.181 963 A CA 1.845 53.909 52.037 0.045 0.000 0.623 963 A CB -1.600 17.466 19.000 0.110 0.000 0.818 963 A HN 0.861 nan 8.150 nan 0.000 0.443 964 S N -0.618 115.061 115.700 -0.035 0.000 2.353 964 S HA -0.213 4.257 4.470 0.000 0.000 0.222 964 S C 1.729 176.375 174.600 0.077 0.000 1.035 964 S CA 1.601 59.789 58.200 -0.020 0.000 1.025 964 S CB -0.699 62.447 63.200 -0.089 0.000 0.902 964 S HN 0.815 nan 8.310 nan 0.000 0.440 965 H N 0.477 119.570 119.070 0.038 0.000 2.491 965 H HA 0.103 4.659 4.556 0.000 0.000 0.290 965 H C 1.918 177.308 175.328 0.104 0.000 1.050 965 H CA 0.667 56.787 56.048 0.121 0.000 1.309 965 H CB -0.109 29.755 29.762 0.170 0.000 1.392 965 H HN 0.235 nan 8.280 nan 0.000 0.554 966 L N 0.388 121.713 121.223 0.171 0.000 2.109 966 L HA -0.130 4.210 4.340 0.000 0.000 0.207 966 L C 2.131 179.040 176.870 0.066 0.000 1.086 966 L CA 1.139 56.047 54.840 0.114 0.000 0.760 966 L CB -0.124 41.986 42.059 0.084 0.000 0.910 966 L HN 0.351 nan 8.230 nan 0.000 0.437 967 E N -0.478 119.744 120.200 0.037 0.000 2.107 967 E HA -0.257 4.093 4.350 0.000 0.000 0.191 967 E C 2.068 178.628 176.600 -0.066 0.000 0.982 967 E CA 0.902 57.299 56.400 -0.005 0.000 0.809 967 E CB 0.047 29.744 29.700 -0.005 0.000 0.756 967 E HN 0.452 nan 8.360 nan 0.000 0.459 968 Q N -0.309 119.406 119.800 -0.142 0.000 2.096 968 Q HA -0.104 4.237 4.340 0.000 0.000 0.197 968 Q C 0.664 176.347 176.000 -0.527 0.000 0.964 968 Q CA 1.123 56.681 55.803 -0.410 0.000 0.838 968 Q CB 0.287 28.629 28.738 -0.661 0.000 0.906 968 Q HN 0.306 nan 8.270 nan 0.000 0.444 969 Y N -1.696 118.615 120.300 0.019 0.000 2.557 969 Y HA 0.377 4.927 4.550 -0.000 0.000 0.247 969 Y C 1.650 177.571 175.900 0.035 0.000 1.164 969 Y CA -0.068 58.034 58.100 0.003 0.000 1.218 969 Y CB 0.256 38.684 38.460 -0.052 0.000 1.210 969 Y HN 0.161 nan 8.280 nan 0.000 0.529 970 G N 0.488 109.368 108.800 0.134 0.000 2.507 970 G HA2 -0.314 3.646 3.960 0.000 0.000 0.221 970 G HA3 -0.314 3.646 3.960 0.000 0.000 0.221 970 G C 1.614 176.569 174.900 0.092 0.000 1.119 970 G CA 1.965 47.129 45.100 0.105 0.000 0.751 970 G HN 0.440 nan 8.290 nan 0.000 0.574 971 T N -2.325 112.279 114.554 0.083 0.000 3.086 971 T HA 0.152 4.502 4.350 0.000 0.000 0.250 971 T C 0.767 175.521 174.700 0.089 0.000 1.074 971 T CA -0.114 62.026 62.100 0.068 0.000 0.988 971 T CB 0.031 68.925 68.868 0.042 0.000 0.988 971 T HN 0.160 nan 8.240 nan 0.000 0.530 972 N N 2.674 121.457 118.700 0.139 0.000 2.439 972 N HA 0.121 4.861 4.740 0.000 0.000 0.243 972 N C -0.649 174.984 175.510 0.205 0.000 1.088 972 N CA -0.307 52.840 53.050 0.163 0.000 0.940 972 N CB 0.586 39.191 38.487 0.196 0.000 1.180 972 N HN 0.494 nan 8.380 nan 0.000 0.505 973 E N 3.350 123.629 120.200 0.131 0.000 2.259 973 E HA 0.174 4.524 4.350 0.000 0.000 0.281 973 E C -1.206 175.473 176.600 0.133 0.000 1.027 973 E CA -0.569 55.874 56.400 0.073 0.000 0.838 973 E CB 0.429 30.138 29.700 0.015 0.000 1.066 973 E HN 0.620 nan 8.360 nan 0.000 0.401 974 Y N 0.573 120.866 120.300 -0.011 0.000 2.457 974 Y HA 0.501 5.051 4.550 -0.000 0.000 0.343 974 Y C -0.720 175.171 175.900 -0.016 0.000 0.994 974 Y CA -1.252 56.831 58.100 -0.028 0.000 1.031 974 Y CB 0.901 39.329 38.460 -0.054 0.000 1.246 974 Y HN 0.163 nan 8.280 nan 0.000 0.449 975 S N 3.081 118.795 115.700 0.023 0.000 2.603 975 S HA 0.413 4.883 4.470 0.000 0.000 0.268 975 S C 0.984 175.602 174.600 0.030 0.000 1.317 975 S CA -0.184 58.001 58.200 -0.025 0.000 1.012 975 S CB 0.676 63.858 63.200 -0.030 0.000 0.926 975 S HN 0.853 nan 8.310 nan 0.000 0.539 976 I N -1.916 118.656 120.570 0.003 0.000 4.433 976 I HA 0.498 4.669 4.170 0.000 0.000 0.322 976 I C -0.415 175.669 176.117 -0.054 0.000 1.284 976 I CA 0.079 61.387 61.300 0.013 0.000 1.269 976 I CB 0.281 38.302 38.000 0.036 0.000 1.219 976 I HN 0.330 nan 8.210 nan 0.000 0.436 977 I N 1.145 121.691 120.570 -0.040 0.000 2.571 977 I HA 0.531 4.702 4.170 0.000 0.000 0.289 977 I C -0.822 175.282 176.117 -0.022 0.000 1.115 977 I CA -0.578 60.678 61.300 -0.073 0.000 1.045 977 I CB 2.118 40.072 38.000 -0.077 0.000 1.238 977 I HN 0.087 nan 8.210 nan 0.000 0.424 978 S N 2.420 117.974 115.700 -0.243 0.000 2.537 978 S HA 0.422 4.892 4.470 0.000 0.000 0.271 978 S C 0.087 174.258 174.600 -0.715 0.000 1.148 978 S CA -0.128 57.785 58.200 -0.477 0.000 0.868 978 S CB 1.855 64.890 63.200 -0.276 0.000 1.115 978 S HN 0.738 nan 8.310 nan 0.000 0.461 979 S N 3.105 118.163 115.700 -1.069 0.000 2.559 979 S HA 0.401 4.871 4.470 0.000 0.000 0.226 979 S C 0.305 174.605 174.600 -0.501 0.000 1.000 979 S CA -0.429 57.273 58.200 -0.830 0.000 0.948 979 S CB -0.379 62.123 63.200 -1.163 0.000 0.870 979 S HN 0.655 nan 8.310 nan 0.000 0.497 980 M N 2.331 121.677 119.600 -0.422 0.000 2.185 980 M HA 0.432 4.912 4.480 0.000 0.000 0.357 980 M C 0.098 176.284 176.300 -0.191 0.000 1.260 980 M CA -0.448 54.696 55.300 -0.261 0.000 1.124 980 M CB 1.005 33.476 32.600 -0.216 0.000 1.600 980 M HN 0.001 nan 8.290 nan 0.000 0.467 987 I N 1.172 121.720 120.570 -0.036 0.000 4.235 987 I HA -0.299 3.871 4.170 0.000 0.000 0.088 987 I C 0.543 176.630 176.117 -0.050 0.000 0.530 987 I CA 1.260 62.537 61.300 -0.037 0.000 1.179 987 I CB -1.269 36.711 38.000 -0.033 0.000 1.046 987 I HN 1.185 nan 8.210 nan 0.000 0.176 988 G N 2.276 111.040 108.800 -0.059 0.000 2.367 988 G HA2 -0.246 3.714 3.960 0.000 0.000 0.295 988 G HA3 -0.246 3.714 3.960 0.000 0.000 0.295 988 G C 0.079 174.925 174.900 -0.089 0.000 1.019 988 G CA 1.066 46.118 45.100 -0.079 0.000 1.224 988 G HN 0.966 nan 8.290 nan 0.000 0.510 989 S N -0.015 115.635 115.700 -0.083 0.000 2.585 989 S HA 0.826 5.296 4.470 0.000 0.000 0.273 989 S C 1.095 175.626 174.600 -0.116 0.000 1.339 989 S CA 1.383 59.533 58.200 -0.082 0.000 1.028 989 S CB 1.273 64.431 63.200 -0.070 0.000 0.906 989 S HN 2.427 nan 8.310 nan 0.000 0.528 990 G N 2.719 111.457 108.800 -0.103 0.000 2.270 990 G HA2 0.077 4.037 3.960 0.000 0.000 0.268 990 G HA3 0.077 4.037 3.960 0.000 0.000 0.268 990 G C -1.152 173.698 174.900 -0.083 0.000 1.312 990 G CA -0.274 44.741 45.100 -0.141 0.000 1.050 990 G HN 1.114 nan 8.290 nan 0.000 0.474 991 W N 0.132 121.349 121.300 -0.138 0.000 2.882 991 W HA 0.833 5.493 4.660 -0.000 0.000 0.345 991 W C -0.130 176.219 176.519 -0.284 0.000 1.125 991 W CA -0.603 56.557 57.345 -0.309 0.000 1.167 991 W CB 1.452 30.735 29.460 -0.294 0.000 1.431 991 W HN 1.572 nan 8.180 nan 0.000 0.543 992 S N 0.161 115.834 115.700 -0.045 0.000 2.537 992 S HA 0.624 5.094 4.470 0.000 0.000 0.270 992 S C -1.810 172.898 174.600 0.180 0.000 1.142 992 S CA -0.782 57.459 58.200 0.068 0.000 0.870 992 S CB 1.872 65.023 63.200 -0.081 0.000 1.112 992 S HN 0.460 nan 8.310 nan 0.000 0.466 993 V N 2.994 123.113 119.914 0.341 0.000 2.384 993 V HA 0.816 4.936 4.120 0.000 0.000 0.287 993 V C 0.107 176.291 176.094 0.150 0.000 1.020 993 V CA -0.091 62.437 62.300 0.381 0.000 0.850 993 V CB 0.982 33.079 31.823 0.457 0.000 0.987 993 V HN 1.180 nan 8.190 nan 0.000 0.436 994 S N 5.656 121.405 115.700 0.081 0.000 2.661 994 S HA 0.897 5.367 4.470 0.000 0.000 0.285 994 S C -1.169 173.334 174.600 -0.163 0.000 1.138 994 S CA -0.925 57.223 58.200 -0.086 0.000 0.855 994 S CB 2.080 65.225 63.200 -0.091 0.000 1.136 994 S HN 0.403 nan 8.310 nan 0.000 0.484 995 L N 0.642 121.589 121.223 -0.460 0.000 2.401 995 L HA 0.673 5.013 4.340 0.000 0.000 0.266 995 L C -0.676 175.953 176.870 -0.402 0.000 0.991 995 L CA -0.562 54.017 54.840 -0.434 0.000 0.818 995 L CB 2.291 44.025 42.059 -0.543 0.000 1.321 995 L HN 0.846 nan 8.230 nan 0.000 0.413 996 K N 2.077 122.402 120.400 -0.125 0.000 2.690 996 K HA 0.560 4.880 4.320 0.000 0.000 0.243 996 K C 0.278 176.903 176.600 0.041 0.000 0.982 996 K CA 0.275 56.559 56.287 -0.005 0.000 0.955 996 K CB 1.324 33.826 32.500 0.002 0.000 1.185 996 K HN 0.764 nan 8.250 nan 0.000 0.467 997 G N 3.693 112.553 108.800 0.101 0.000 2.591 997 G HA2 -0.377 3.583 3.960 0.000 0.000 0.298 997 G HA3 -0.377 3.583 3.960 0.000 0.000 0.298 997 G C 0.089 175.025 174.900 0.060 0.000 1.195 997 G CA 0.388 45.542 45.100 0.090 0.000 0.989 997 G HN 0.746 nan 8.290 nan 0.000 0.551 998 N N 2.126 120.844 118.700 0.030 0.000 2.451 998 N HA 0.223 4.963 4.740 0.000 0.000 0.264 998 N C -0.580 174.922 175.510 -0.014 0.000 1.167 998 N CA -0.276 52.783 53.050 0.015 0.000 0.898 998 N CB 0.051 38.538 38.487 0.000 0.000 1.176 998 N HN 0.325 nan 8.380 nan 0.000 0.507 999 N N 1.293 119.992 118.700 -0.001 0.000 2.321 999 N HA 0.251 4.992 4.740 0.000 0.000 0.299 999 N C -1.325 174.219 175.510 0.056 0.000 1.048 999 N CA -0.519 52.529 53.050 -0.003 0.000 0.836 999 N CB 2.519 40.998 38.487 -0.012 0.000 1.269 999 N HN 0.049 nan 8.380 nan 0.000 0.486 1000 L N 3.207 124.522 121.223 0.154 0.000 2.296 1000 L HA 0.600 4.940 4.340 0.000 0.000 0.286 1000 L C -0.931 176.042 176.870 0.172 0.000 1.023 1000 L CA -0.360 54.586 54.840 0.176 0.000 0.812 1000 L CB 0.556 42.768 42.059 0.255 0.000 1.223 1000 L HN 0.444 nan 8.230 nan 0.000 0.421 1001 I N 5.106 125.760 120.570 0.141 0.000 2.465 1001 I HA 0.300 4.470 4.170 0.000 0.000 0.291 1001 I C -1.177 175.093 176.117 0.256 0.000 1.014 1001 I CA -0.522 60.873 61.300 0.158 0.000 1.093 1001 I CB 1.734 39.778 38.000 0.072 0.000 1.267 1001 I HN 0.674 nan 8.210 nan 0.000 0.431 1002 W N 6.851 128.188 121.300 0.063 0.000 2.475 1002 W HA 0.555 5.216 4.660 0.001 0.000 0.317 1002 W C -1.466 175.107 176.519 0.091 0.000 1.046 1002 W CA -0.371 57.025 57.345 0.085 0.000 1.215 1002 W CB 1.965 31.447 29.460 0.038 0.000 1.335 1002 W HN 0.410 nan 8.180 nan 0.000 0.471 1003 T N 6.760 120.980 114.554 -0.557 0.000 2.886 1003 T HA 0.567 4.917 4.350 0.000 0.000 0.292 1003 T C -0.582 173.779 174.700 -0.565 0.000 1.012 1003 T CA -0.567 61.274 62.100 -0.432 0.000 0.982 1003 T CB 1.915 70.667 68.868 -0.194 0.000 1.018 1003 T HN 0.316 nan 8.240 nan 0.000 0.451 1004 L N 2.525 123.569 121.223 -0.297 0.000 2.365 1004 L HA 0.686 5.026 4.340 0.000 0.000 0.273 1004 L C -0.321 176.519 176.870 -0.049 0.000 1.000 1004 L CA -0.868 53.899 54.840 -0.122 0.000 0.819 1004 L CB 2.179 44.253 42.059 0.025 0.000 1.284 1004 L HN 0.448 nan 8.230 nan 0.000 0.418 1005 K N 2.223 122.606 120.400 -0.027 0.000 2.565 1005 K HA 0.316 4.636 4.320 0.000 0.000 0.249 1005 K C -1.467 175.123 176.600 -0.016 0.000 0.958 1005 K CA -0.641 55.630 56.287 -0.026 0.000 0.806 1005 K CB 1.881 34.351 32.500 -0.050 0.000 1.194 1005 K HN 0.647 nan 8.250 nan 0.000 0.434 1006 D N 1.796 122.194 120.400 -0.004 0.000 2.451 1006 D HA 0.019 4.659 4.640 0.000 0.000 0.259 1006 D C 0.921 177.208 176.300 -0.022 0.000 1.201 1006 D CA -0.335 53.659 54.000 -0.010 0.000 1.028 1006 D CB 1.056 41.864 40.800 0.013 0.000 1.095 1006 D HN 0.429 nan 8.370 nan 0.000 0.539 1007 S N -1.237 114.446 115.700 -0.027 0.000 2.493 1007 S HA -0.099 4.371 4.470 0.000 0.000 0.243 1007 S C 1.610 176.203 174.600 -0.013 0.000 0.991 1007 S CA 0.577 58.761 58.200 -0.026 0.000 0.957 1007 S CB -0.647 62.536 63.200 -0.028 0.000 0.756 1007 S HN 0.665 nan 8.310 nan 0.000 0.521 1008 A N 0.370 123.188 122.820 -0.003 0.000 2.308 1008 A HA 0.632 4.952 4.320 0.000 0.000 0.217 1008 A C 1.665 179.247 177.584 -0.003 0.000 1.216 1008 A CA 0.322 52.360 52.037 0.001 0.000 0.864 1008 A CB -0.836 18.170 19.000 0.011 0.000 0.902 1008 A HN 1.425 nan 8.150 nan 0.000 0.499 1009 G N -0.390 108.404 108.800 -0.009 0.000 2.159 1009 G HA2 -0.259 3.701 3.960 0.000 0.000 0.256 1009 G HA3 -0.259 3.701 3.960 0.000 0.000 0.256 1009 G C 0.075 174.971 174.900 -0.007 0.000 0.977 1009 G CA 0.443 45.535 45.100 -0.012 0.000 0.652 1009 G HN 0.665 nan 8.290 nan 0.000 0.531 1010 E N 0.232 120.432 120.200 0.000 0.000 2.384 1010 E HA 0.527 4.877 4.350 0.000 0.000 0.266 1010 E C 0.239 176.842 176.600 0.005 0.000 1.012 1010 E CA -0.081 56.323 56.400 0.007 0.000 0.901 1010 E CB 1.067 30.777 29.700 0.018 0.000 0.967 1010 E HN 0.399 nan 8.360 nan 0.000 0.435 1011 V N 5.575 125.491 119.914 0.004 0.000 2.823 1011 V HA 0.635 4.755 4.120 0.000 0.000 0.312 1011 V C -0.402 175.698 176.094 0.010 0.000 1.072 1011 V CA -0.974 61.326 62.300 -0.001 0.000 0.937 1011 V CB 2.071 33.886 31.823 -0.013 0.000 1.013 1011 V HN 0.584 nan 8.190 nan 0.000 0.430 1012 R N 2.642 123.147 120.500 0.009 0.000 2.621 1012 R HA 0.682 5.023 4.340 0.000 0.000 0.284 1012 R C -1.223 175.091 176.300 0.023 0.000 0.998 1012 R CA -0.641 55.478 56.100 0.031 0.000 0.895 1012 R CB 2.416 32.752 30.300 0.060 0.000 1.195 1012 R HN 0.805 nan 8.270 nan 0.000 0.450 1013 Q N 1.682 121.511 119.800 0.049 0.000 2.456 1013 Q HA 0.609 4.949 4.340 0.000 0.000 0.284 1013 Q C -0.726 175.342 176.000 0.113 0.000 1.061 1013 Q CA -0.894 54.950 55.803 0.068 0.000 0.799 1013 Q CB 3.296 32.056 28.738 0.038 0.000 1.445 1013 Q HN 0.444 nan 8.270 nan 0.000 0.411 1014 I N 1.072 121.741 120.570 0.166 0.000 2.447 1014 I HA 0.349 4.519 4.170 0.000 0.000 0.287 1014 I C -0.843 175.360 176.117 0.143 0.000 1.023 1014 I CA -0.479 60.909 61.300 0.146 0.000 1.083 1014 I CB 2.302 40.400 38.000 0.162 0.000 1.245 1014 I HN 0.452 nan 8.210 nan 0.000 0.434 1015 T N 6.353 120.972 114.554 0.108 0.000 2.842 1015 T HA 0.317 4.667 4.350 0.000 0.000 0.308 1015 T C -0.645 174.128 174.700 0.121 0.000 1.041 1015 T CA -0.293 61.867 62.100 0.100 0.000 0.964 1015 T CB 0.351 69.249 68.868 0.050 0.000 0.972 1015 T HN 0.251 nan 8.240 nan 0.000 0.460 1016 F N 4.373 124.327 119.950 0.007 0.000 2.411 1016 F HA 0.606 5.133 4.527 0.000 0.000 0.355 1016 F C 0.109 175.919 175.800 0.016 0.000 1.117 1016 F CA -1.318 56.678 58.000 -0.006 0.000 1.139 1016 F CB 0.506 39.486 39.000 -0.034 0.000 1.120 1016 F HN 0.268 nan 8.300 nan 0.000 0.493 1017 R N 4.304 124.354 120.500 -0.749 0.000 2.221 1017 R HA 0.216 4.556 4.340 0.000 0.000 0.327 1017 R C -0.581 175.064 176.300 -1.092 0.000 1.033 1017 R CA -0.609 55.112 56.100 -0.630 0.000 0.887 1017 R CB 0.231 30.343 30.300 -0.312 0.000 1.057 1017 R HN 0.570 nan 8.270 nan 0.000 0.455 1018 D N 1.785 121.756 120.400 -0.714 0.000 2.368 1018 D HA 0.047 4.687 4.640 0.000 0.000 0.240 1018 D C 0.035 176.239 176.300 -0.159 0.000 1.169 1018 D CA -0.172 53.607 54.000 -0.368 0.000 0.906 1018 D CB 0.779 41.582 40.800 0.006 0.000 1.187 1018 D HN 0.280 nan 8.370 nan 0.000 0.435 1019 L N 3.394 124.629 121.223 0.019 0.000 2.506 1019 L HA 0.072 4.412 4.340 0.000 0.000 0.281 1019 L C -1.276 175.574 176.870 -0.033 0.000 1.228 1019 L CA -1.166 53.684 54.840 0.016 0.000 0.850 1019 L CB 0.082 42.163 42.059 0.036 0.000 1.110 1019 L HN 0.448 nan 8.230 nan 0.000 0.496 1020 P HA -0.108 nan 4.420 nan 0.000 0.216 1020 P C 0.084 177.176 177.300 -0.346 0.000 1.153 1020 P CA 0.834 63.886 63.100 -0.079 0.000 0.844 1020 P CB 0.106 31.863 31.700 0.095 0.000 0.787 1021 D N -0.019 120.088 120.400 -0.489 0.000 2.367 1021 D HA -0.014 4.626 4.640 0.000 0.000 0.255 1021 D C 0.916 177.163 176.300 -0.088 0.000 1.300 1021 D CA 0.128 53.786 54.000 -0.571 0.000 0.959 1021 D CB 0.314 40.952 40.800 -0.270 0.000 1.064 1021 D HN -0.263 nan 8.370 nan 0.000 0.509 1022 K N 2.535 122.966 120.400 0.052 0.000 2.211 1022 K HA -0.136 4.184 4.320 0.000 0.000 0.204 1022 K C 1.477 178.306 176.600 0.383 0.000 1.047 1022 K CA 0.565 56.945 56.287 0.154 0.000 0.935 1022 K CB -0.419 32.051 32.500 -0.050 0.000 0.728 1022 K HN 0.444 nan 8.250 nan 0.000 0.452 1023 F N 1.338 121.491 119.950 0.339 0.000 2.216 1023 F HA -0.141 4.386 4.527 0.000 0.000 0.300 1023 F C 1.023 176.920 175.800 0.163 0.000 1.085 1023 F CA 1.290 59.474 58.000 0.307 0.000 1.326 1023 F CB 0.172 39.304 39.000 0.219 0.000 1.027 1023 F HN 0.102 nan 8.300 nan 0.000 0.497 1024 N N 0.071 118.841 118.700 0.117 0.000 2.184 1024 N HA 0.234 4.974 4.740 0.000 0.000 0.206 1024 N C 0.238 175.592 175.510 -0.259 0.000 1.151 1024 N CA 0.506 53.516 53.050 -0.066 0.000 0.878 1024 N CB 0.189 38.704 38.487 0.047 0.000 1.014 1024 N HN 0.144 nan 8.380 nan 0.000 0.512 1025 A N 0.061 122.783 122.820 -0.164 0.000 2.366 1025 A HA 0.274 4.594 4.320 0.000 0.000 0.249 1025 A C 0.420 177.836 177.584 -0.279 0.000 1.084 1025 A CA -0.138 51.768 52.037 -0.219 0.000 0.794 1025 A CB 0.257 19.240 19.000 -0.028 0.000 1.034 1025 A HN 0.160 nan 8.150 nan 0.000 0.491 1026 Y N 0.359 120.751 120.300 0.154 0.000 2.420 1026 Y HA 0.131 4.681 4.550 0.000 0.000 0.292 1026 Y C 1.013 176.993 175.900 0.133 0.000 1.119 1026 Y CA 0.693 58.872 58.100 0.132 0.000 1.229 1026 Y CB -0.028 38.498 38.460 0.110 0.000 1.026 1026 Y HN 0.408 nan 8.280 nan 0.000 0.554 1027 L N 0.233 121.605 121.223 0.249 0.000 3.084 1027 L HA 0.511 4.851 4.340 0.000 0.000 0.238 1027 L C 0.325 177.249 176.870 0.091 0.000 1.327 1027 L CA -0.270 54.669 54.840 0.165 0.000 1.094 1027 L CB -0.043 42.113 42.059 0.161 0.000 1.477 1027 L HN 0.030 nan 8.230 nan 0.000 0.514 1028 A N 0.504 123.389 122.820 0.109 0.000 3.308 1028 A HA 0.264 4.584 4.320 0.000 0.000 0.275 1028 A C 0.814 178.544 177.584 0.244 0.000 0.950 1028 A CA -0.329 51.779 52.037 0.119 0.000 0.987 1028 A CB -0.112 18.974 19.000 0.142 0.000 1.146 1028 A HN 0.618 nan 8.150 nan 0.000 0.488 1029 N N -0.586 118.174 118.700 0.099 0.000 2.965 1029 N HA -0.142 4.598 4.740 0.000 0.000 0.232 1029 N C -0.224 175.355 175.510 0.116 0.000 0.913 1029 N CA 1.187 54.230 53.050 -0.012 0.000 0.981 1029 N CB -0.562 37.780 38.487 -0.242 0.000 1.077 1029 N HN 0.667 nan 8.380 nan 0.000 0.589 1030 K N -0.002 120.540 120.400 0.237 0.000 2.123 1030 K HA 0.196 4.516 4.320 0.000 0.000 0.259 1030 K C -0.695 176.084 176.600 0.298 0.000 0.960 1030 K CA -0.503 55.973 56.287 0.315 0.000 0.872 1030 K CB 0.770 33.424 32.500 0.258 0.000 1.079 1030 K HN 0.070 nan 8.250 nan 0.000 0.440 1031 W N 2.806 124.337 121.300 0.385 0.000 2.308 1031 W HA 0.133 4.793 4.660 0.000 0.000 0.324 1031 W C 0.284 177.206 176.519 0.671 0.000 1.387 1031 W CA -0.336 57.286 57.345 0.462 0.000 1.250 1031 W CB 0.603 30.251 29.460 0.313 0.000 1.257 1031 W HN 0.213 nan 8.180 nan 0.000 0.554 1032 V N 2.167 122.593 119.914 0.853 0.000 3.040 1032 V HA 0.583 4.703 4.120 0.000 0.000 0.312 1032 V C -1.337 174.901 176.094 0.241 0.000 1.115 1032 V CA -1.472 61.160 62.300 0.553 0.000 0.998 1032 V CB 1.996 34.014 31.823 0.325 0.000 1.042 1032 V HN 0.269 nan 8.190 nan 0.000 0.433 1033 F N 4.135 123.772 119.950 -0.522 0.000 2.385 1033 F HA 0.744 5.271 4.527 0.001 0.000 0.360 1033 F C -0.356 174.979 175.800 -0.775 0.000 1.122 1033 F CA -1.576 55.795 58.000 -1.048 0.000 1.090 1033 F CB 0.960 39.075 39.000 -1.475 0.000 1.150 1033 F HN 0.388 nan 8.300 nan 0.000 0.472 1034 I N 5.001 124.772 120.570 -1.332 0.000 2.385 1034 I HA 0.393 4.563 4.170 0.000 0.000 0.294 1034 I C -0.197 175.058 176.117 -1.438 0.000 0.988 1034 I CA -0.372 60.159 61.300 -1.282 0.000 1.265 1034 I CB 1.354 38.485 38.000 -1.448 0.000 1.388 1034 I HN 0.501 nan 8.210 nan 0.000 0.480 1035 T N 6.933 120.909 114.554 -0.963 0.000 3.109 1035 T HA 0.606 4.956 4.350 0.000 0.000 0.311 1035 T C -0.317 174.072 174.700 -0.518 0.000 1.011 1035 T CA -0.308 61.345 62.100 -0.744 0.000 1.026 1035 T CB 1.562 70.025 68.868 -0.676 0.000 1.047 1035 T HN 0.283 nan 8.240 nan 0.000 0.448 1036 I N 3.448 123.658 120.570 -0.600 0.000 2.448 1036 I HA 0.350 4.520 4.170 0.000 0.000 0.281 1036 I C 0.629 176.331 176.117 -0.692 0.000 1.027 1036 I CA -0.756 60.099 61.300 -0.741 0.000 1.111 1036 I CB 1.789 38.982 38.000 -1.346 0.000 1.236 1036 I HN 0.648 nan 8.210 nan 0.000 0.452 1037 T N 1.924 116.208 114.554 -0.450 0.000 2.909 1037 T HA 0.465 4.815 4.350 0.000 0.000 0.286 1037 T C -0.219 174.246 174.700 -0.393 0.000 1.002 1037 T CA -0.815 61.053 62.100 -0.387 0.000 1.074 1037 T CB 1.249 69.991 68.868 -0.211 0.000 0.984 1037 T HN 0.457 nan 8.240 nan 0.000 0.495 1038 N N 2.422 120.874 118.700 -0.412 0.000 2.540 1038 N HA 0.214 4.954 4.740 0.000 0.000 0.275 1038 N C -1.868 173.577 175.510 -0.109 0.000 1.053 1038 N CA -0.518 52.360 53.050 -0.287 0.000 0.876 1038 N CB 2.036 40.209 38.487 -0.523 0.000 1.284 1038 N HN 0.757 nan 8.380 nan 0.000 0.518 1039 D N 1.893 122.274 120.400 -0.032 0.000 2.392 1039 D HA 0.225 4.865 4.640 0.000 0.000 0.228 1039 D C 1.072 177.411 176.300 0.064 0.000 1.074 1039 D CA -0.379 53.635 54.000 0.023 0.000 0.838 1039 D CB 0.869 41.674 40.800 0.008 0.000 1.067 1039 D HN 0.139 nan 8.370 nan 0.000 0.511 1040 R N 3.061 123.626 120.500 0.108 0.000 2.200 1040 R HA -0.013 4.327 4.340 0.000 0.000 0.234 1040 R C 1.357 177.714 176.300 0.094 0.000 1.127 1040 R CA 0.617 56.794 56.100 0.127 0.000 0.989 1040 R CB -0.359 30.041 30.300 0.167 0.000 0.869 1040 R HN 0.582 nan 8.270 nan 0.000 0.459 1041 L N 0.351 121.619 121.223 0.075 0.000 2.591 1041 L HA 0.034 4.374 4.340 0.000 0.000 0.228 1041 L C 1.303 178.199 176.870 0.043 0.000 1.133 1041 L CA 0.429 55.303 54.840 0.057 0.000 0.880 1041 L CB -0.065 42.024 42.059 0.050 0.000 1.033 1041 L HN 0.228 nan 8.230 nan 0.000 0.450 1042 S N -2.049 113.676 115.700 0.041 0.000 4.848 1042 S HA 0.304 4.774 4.470 0.000 0.000 0.151 1042 S C 0.282 174.898 174.600 0.027 0.000 1.055 1042 S CA 0.241 58.458 58.200 0.028 0.000 1.208 1042 S CB 0.659 63.868 63.200 0.016 0.000 2.035 1042 S HN 0.182 nan 8.310 nan 0.000 0.792 1043 S N 0.398 116.107 115.700 0.014 0.000 2.720 1043 S HA 0.882 5.353 4.470 0.000 0.000 0.287 1043 S C -0.977 173.618 174.600 -0.008 0.000 1.168 1043 S CA -0.489 57.717 58.200 0.010 0.000 0.832 1043 S CB 1.201 64.397 63.200 -0.006 0.000 1.166 1043 S HN 1.505 nan 8.310 nan 0.000 0.493 1044 A N 1.115 123.932 122.820 -0.004 0.000 2.317 1044 A HA 0.773 5.093 4.320 0.000 0.000 0.327 1044 A C -0.678 176.836 177.584 -0.117 0.000 1.178 1044 A CA -0.810 51.200 52.037 -0.045 0.000 0.817 1044 A CB 0.390 19.446 19.000 0.093 0.000 1.189 1044 A HN 0.724 nan 8.150 nan 0.000 0.489 1045 N N 1.791 120.367 118.700 -0.206 0.000 2.346 1045 N HA 0.341 5.081 4.740 0.000 0.000 0.289 1045 N C -1.598 173.654 175.510 -0.432 0.000 1.027 1045 N CA -0.356 52.504 53.050 -0.316 0.000 0.864 1045 N CB 2.357 40.661 38.487 -0.305 0.000 1.370 1045 N HN 0.667 nan 8.380 nan 0.000 0.481 1046 L N 3.116 124.035 121.223 -0.507 0.000 2.272 1046 L HA 0.459 4.799 4.340 0.000 0.000 0.289 1046 L C -1.330 175.154 176.870 -0.645 0.000 1.032 1046 L CA -0.599 53.946 54.840 -0.492 0.000 0.810 1046 L CB 0.260 42.105 42.059 -0.356 0.000 1.205 1046 L HN 0.452 nan 8.230 nan 0.000 0.422 1047 Y N 4.986 124.977 120.300 -0.515 0.000 2.429 1047 Y HA 0.567 5.117 4.550 0.000 0.000 0.342 1047 Y C -0.089 175.413 175.900 -0.664 0.000 1.004 1047 Y CA -0.720 57.061 58.100 -0.532 0.000 1.075 1047 Y CB 1.903 40.083 38.460 -0.467 0.000 1.214 1047 Y HN 0.336 nan 8.280 nan 0.000 0.455 1048 I N 2.935 123.169 120.570 -0.560 0.000 2.466 1048 I HA 0.236 4.406 4.170 0.000 0.000 0.289 1048 I C -0.604 175.132 176.117 -0.635 0.000 1.026 1048 I CA -0.970 59.906 61.300 -0.707 0.000 1.078 1048 I CB 1.564 38.947 38.000 -1.029 0.000 1.249 1048 I HN 0.695 nan 8.210 nan 0.000 0.429 1049 N N 4.826 123.112 118.700 -0.691 0.000 2.716 1049 N HA -0.205 4.535 4.740 0.000 0.000 0.250 1049 N C 0.956 175.918 175.510 -0.913 0.000 1.033 1049 N CA 1.401 53.811 53.050 -1.067 0.000 0.727 1049 N CB -0.975 37.212 38.487 -0.501 0.000 0.950 1049 N HN 1.165 nan 8.380 nan 0.000 0.541 1050 G N -3.146 105.281 108.800 -0.621 0.000 2.189 1050 G HA2 -0.332 3.628 3.960 0.000 0.000 0.267 1050 G HA3 -0.332 3.628 3.960 0.000 0.000 0.267 1050 G C 0.071 174.910 174.900 -0.101 0.000 0.975 1050 G CA 0.523 45.458 45.100 -0.276 0.000 0.644 1050 G HN 0.537 nan 8.290 nan 0.000 0.537 1051 V N 1.288 121.114 119.914 -0.148 0.000 2.435 1051 V HA 0.623 4.743 4.120 0.000 0.000 0.290 1051 V C 0.619 176.619 176.094 -0.157 0.000 1.030 1051 V CA -0.903 61.342 62.300 -0.092 0.000 0.881 1051 V CB 1.724 33.464 31.823 -0.139 0.000 0.983 1051 V HN 0.410 nan 8.190 nan 0.000 0.445 1052 L N 6.029 127.144 121.223 -0.181 0.000 2.477 1052 L HA 0.188 4.528 4.340 0.000 0.000 0.272 1052 L C 0.811 177.439 176.870 -0.402 0.000 1.157 1052 L CA 0.985 55.500 54.840 -0.542 0.000 0.889 1052 L CB 0.525 42.308 42.059 -0.460 0.000 1.158 1052 L HN 0.606 nan 8.230 nan 0.000 0.473 1053 M N 3.629 122.933 119.600 -0.493 0.000 2.449 1053 M HA 0.439 4.919 4.480 0.000 0.000 0.262 1053 M C 0.704 176.899 176.300 -0.175 0.000 1.152 1053 M CA 0.379 55.455 55.300 -0.373 0.000 1.104 1053 M CB 0.005 32.116 32.600 -0.815 0.000 1.416 1053 M HN 0.645 nan 8.290 nan 0.000 0.519 1054 G N -0.616 108.027 108.800 -0.261 0.000 2.646 1054 G HA2 0.545 4.505 3.960 0.000 0.000 0.291 1054 G HA3 0.545 4.505 3.960 0.000 0.000 0.291 1054 G C -1.685 173.099 174.900 -0.194 0.000 1.445 1054 G CA -0.277 44.744 45.100 -0.132 0.000 0.814 1054 G HN 0.042 nan 8.290 nan 0.000 0.495 1055 S N -1.521 114.116 115.700 -0.105 0.000 2.588 1055 S HA 0.932 5.402 4.470 0.000 0.000 0.269 1055 S C -1.285 173.299 174.600 -0.027 0.000 1.157 1055 S CA 0.343 58.483 58.200 -0.099 0.000 0.824 1055 S CB 1.623 64.752 63.200 -0.118 0.000 1.126 1055 S HN 2.412 nan 8.310 nan 0.000 0.464 1056 A N 2.183 124.998 122.820 -0.008 0.000 2.547 1056 A HA 0.566 4.887 4.320 0.000 0.000 0.298 1056 A C -1.186 176.416 177.584 0.031 0.000 1.062 1056 A CA -0.644 51.408 52.037 0.025 0.000 0.748 1056 A CB 0.958 19.994 19.000 0.060 0.000 1.288 1056 A HN 0.734 nan 8.150 nan 0.000 0.396 1057 E N 1.474 121.690 120.200 0.027 0.000 2.384 1057 E HA 0.275 4.625 4.350 0.000 0.000 0.266 1057 E C 0.481 177.111 176.600 0.049 0.000 1.012 1057 E CA 0.266 56.685 56.400 0.031 0.000 0.901 1057 E CB 0.695 30.410 29.700 0.025 0.000 0.967 1057 E HN 0.645 nan 8.360 nan 0.000 0.435 1058 I N -0.770 119.835 120.570 0.059 0.000 3.947 1058 I HA 0.132 4.302 4.170 0.000 0.000 0.327 1058 I C 0.354 176.517 176.117 0.076 0.000 1.519 1058 I CA -0.609 60.738 61.300 0.078 0.000 1.122 1058 I CB 0.501 38.566 38.000 0.108 0.000 1.146 1058 I HN 0.188 nan 8.210 nan 0.000 0.442 1059 T N -1.286 113.304 114.554 0.060 0.000 2.913 1059 T HA 0.562 4.912 4.350 0.000 0.000 0.297 1059 T C 1.184 175.917 174.700 0.055 0.000 1.029 1059 T CA 0.395 62.530 62.100 0.059 0.000 1.104 1059 T CB 1.394 70.289 68.868 0.046 0.000 0.964 1059 T HN 0.748 nan 8.240 nan 0.000 0.532 1060 G N 1.401 110.236 108.800 0.058 0.000 2.176 1060 G HA2 -0.175 3.785 3.960 0.000 0.000 0.232 1060 G HA3 -0.175 3.785 3.960 0.000 0.000 0.232 1060 G C -0.085 174.850 174.900 0.058 0.000 0.986 1060 G CA -0.199 44.932 45.100 0.051 0.000 0.643 1060 G HN 0.818 nan 8.290 nan 0.000 0.522 1061 L N 1.009 122.276 121.223 0.072 0.000 2.334 1061 L HA 0.644 4.984 4.340 0.000 0.000 0.277 1061 L C 1.558 178.483 176.870 0.093 0.000 1.075 1061 L CA -0.190 54.695 54.840 0.075 0.000 0.804 1061 L CB 1.230 43.340 42.059 0.086 0.000 1.174 1061 L HN 0.211 nan 8.230 nan 0.000 0.438 1062 G N 1.301 110.150 108.800 0.081 0.000 2.783 1062 G HA2 0.499 4.459 3.960 0.000 0.000 0.182 1062 G HA3 0.499 4.459 3.960 0.000 0.000 0.182 1062 G C -0.265 174.694 174.900 0.097 0.000 1.516 1062 G CA -0.142 45.025 45.100 0.111 0.000 1.079 1062 G HN 0.733 nan 8.290 nan 0.000 0.573 1063 A N -0.830 122.027 122.820 0.060 0.000 2.425 1063 A HA 0.533 4.853 4.320 0.000 0.000 0.249 1063 A C -0.079 177.384 177.584 -0.203 0.000 1.084 1063 A CA -0.196 51.701 52.037 -0.234 0.000 0.781 1063 A CB 0.005 18.830 19.000 -0.292 0.000 1.019 1063 A HN 0.418 nan 8.150 nan 0.000 0.490 1064 I N 2.945 123.351 120.570 -0.273 0.000 2.307 1064 I HA 0.203 4.373 4.170 0.000 0.000 0.287 1064 I C 0.215 176.223 176.117 -0.181 0.000 1.054 1064 I CA 0.012 61.223 61.300 -0.148 0.000 1.218 1064 I CB 0.663 38.624 38.000 -0.065 0.000 1.398 1064 I HN 0.634 nan 8.210 nan 0.000 0.475 1065 R N 6.735 127.151 120.500 -0.141 0.000 2.522 1065 R HA 0.181 4.522 4.340 0.000 0.000 0.290 1065 R C 0.118 176.364 176.300 -0.089 0.000 1.216 1065 R CA -0.374 55.656 56.100 -0.117 0.000 1.250 1065 R CB 0.609 30.845 30.300 -0.107 0.000 1.143 1065 R HN 0.628 nan 8.270 nan 0.000 0.553 1066 E N 0.854 120.999 120.200 -0.092 0.000 2.359 1066 E HA 0.109 4.459 4.350 0.000 0.000 0.255 1066 E C -0.597 175.945 176.600 -0.097 0.000 1.191 1066 E CA -0.845 55.477 56.400 -0.130 0.000 0.952 1066 E CB 0.699 30.283 29.700 -0.194 0.000 1.152 1066 E HN 0.142 nan 8.360 nan 0.000 0.496 1067 D N -0.511 119.808 120.400 -0.134 0.000 2.361 1067 D HA -0.061 4.580 4.640 0.000 0.000 0.239 1067 D C 0.705 176.964 176.300 -0.067 0.000 1.200 1067 D CA -0.146 53.799 54.000 -0.091 0.000 0.915 1067 D CB 0.638 41.368 40.800 -0.116 0.000 1.170 1067 D HN 0.486 nan 8.370 nan 0.000 0.444 1068 N N 1.221 119.910 118.700 -0.019 0.000 2.494 1068 N HA -0.076 4.664 4.740 0.000 0.000 0.182 1068 N C -0.723 174.784 175.510 -0.005 0.000 1.076 1068 N CA 0.382 53.417 53.050 -0.025 0.000 0.908 1068 N CB -0.077 38.441 38.487 0.051 0.000 0.967 1068 N HN 0.345 nan 8.380 nan 0.000 0.449 1069 N N 0.197 118.905 118.700 0.014 0.000 2.319 1069 N HA 0.341 5.081 4.740 0.000 0.000 0.305 1069 N C -0.703 174.763 175.510 -0.073 0.000 1.103 1069 N CA -0.387 52.678 53.050 0.027 0.000 0.815 1069 N CB 2.108 40.625 38.487 0.050 0.000 1.288 1069 N HN -0.024 nan 8.380 nan 0.000 0.493 1070 I N 1.360 121.900 120.570 -0.049 0.000 2.330 1070 I HA 0.196 4.366 4.170 0.000 0.000 0.289 1070 I C -0.142 175.895 176.117 -0.134 0.000 1.001 1070 I CA -0.283 60.948 61.300 -0.116 0.000 1.193 1070 I CB 1.225 39.257 38.000 0.053 0.000 1.345 1070 I HN 0.202 nan 8.210 nan 0.000 0.461 1071 T N 7.389 121.823 114.554 -0.200 0.000 2.758 1071 T HA 0.478 4.828 4.350 0.000 0.000 0.285 1071 T C -0.300 174.284 174.700 -0.193 0.000 0.981 1071 T CA -0.472 61.526 62.100 -0.171 0.000 0.965 1071 T CB 1.028 69.799 68.868 -0.162 0.000 0.927 1071 T HN 0.128 nan 8.240 nan 0.000 0.448 1072 L N 4.427 125.544 121.223 -0.176 0.000 2.264 1072 L HA 0.624 4.965 4.340 0.000 0.000 0.287 1072 L C 0.122 176.925 176.870 -0.112 0.000 1.039 1072 L CA 0.180 54.917 54.840 -0.173 0.000 0.829 1072 L CB 0.397 42.345 42.059 -0.185 0.000 1.211 1072 L HN 0.566 nan 8.230 nan 0.000 0.427 1073 K N 3.208 123.551 120.400 -0.095 0.000 2.622 1073 K HA 0.361 4.681 4.320 0.000 0.000 0.273 1073 K C -1.688 174.890 176.600 -0.037 0.000 0.957 1073 K CA -0.736 55.505 56.287 -0.077 0.000 0.861 1073 K CB 1.273 33.705 32.500 -0.113 0.000 1.405 1073 K HN 0.344 nan 8.250 nan 0.000 0.406 1074 L N 3.237 124.445 121.223 -0.025 0.000 2.385 1074 L HA 0.193 4.533 4.340 0.000 0.000 0.281 1074 L C -0.300 176.566 176.870 -0.007 0.000 1.106 1074 L CA -0.049 54.806 54.840 0.024 0.000 0.856 1074 L CB 0.354 42.380 42.059 -0.054 0.000 1.186 1074 L HN 0.603 nan 8.230 nan 0.000 0.453 1075 D N 4.064 124.491 120.400 0.044 0.000 2.344 1075 D HA 0.330 4.970 4.640 0.000 0.000 0.239 1075 D C 0.170 176.494 176.300 0.040 0.000 1.064 1075 D CA -0.392 53.611 54.000 0.004 0.000 0.829 1075 D CB 0.719 41.506 40.800 -0.023 0.000 1.129 1075 D HN 0.410 nan 8.370 nan 0.000 0.506 1076 R N 1.611 122.107 120.500 -0.007 0.000 3.656 1076 R HA -0.173 4.167 4.340 0.000 0.000 0.297 1076 R C -0.729 175.568 176.300 -0.006 0.000 1.166 1076 R CA 0.435 56.534 56.100 -0.001 0.000 0.799 1076 R CB -2.480 27.834 30.300 0.023 0.000 1.285 1076 R HN 0.479 nan 8.270 nan 0.000 0.477 1077 C N 1.181 120.414 119.300 -0.112 0.000 2.303 1077 C HA 0.291 4.752 4.460 0.000 0.000 0.341 1077 C C 1.520 176.317 174.990 -0.323 0.000 1.244 1077 C CA -0.809 58.003 59.018 -0.342 0.000 1.765 1077 C CB 0.235 27.524 27.740 -0.753 0.000 2.379 1077 C HN 0.404 nan 8.230 nan 0.000 0.530 1078 N N 3.285 121.809 118.700 -0.292 0.000 2.494 1078 N HA -0.037 4.703 4.740 0.000 0.000 0.182 1078 N C 0.141 175.344 175.510 -0.512 0.000 1.076 1078 N CA 0.536 53.441 53.050 -0.242 0.000 0.908 1078 N CB -0.242 38.248 38.487 0.005 0.000 0.967 1078 N HN 0.733 nan 8.380 nan 0.000 0.449 1079 N N 1.881 120.025 118.700 -0.927 0.000 2.415 1079 N HA 0.087 4.827 4.740 0.000 0.000 0.246 1079 N C 0.477 175.651 175.510 -0.561 0.000 1.078 1079 N CA -0.100 52.276 53.050 -1.124 0.000 0.942 1079 N CB 0.150 37.787 38.487 -1.418 0.000 1.140 1079 N HN -0.045 nan 8.380 nan 0.000 0.501 1080 N N 2.736 121.231 118.700 -0.342 0.000 2.364 1080 N HA -0.104 4.636 4.740 0.000 0.000 0.183 1080 N C 0.002 175.425 175.510 -0.145 0.000 1.022 1080 N CA 0.771 53.704 53.050 -0.195 0.000 0.883 1080 N CB 0.147 38.571 38.487 -0.104 0.000 0.965 1080 N HN 0.564 nan 8.380 nan 0.000 0.438 1081 N N 0.772 119.375 118.700 -0.160 0.000 2.270 1081 N HA -0.023 4.717 4.740 0.000 0.000 0.198 1081 N C 0.277 175.763 175.510 -0.039 0.000 1.117 1081 N CA 0.025 53.054 53.050 -0.035 0.000 0.845 1081 N CB 0.359 38.871 38.487 0.042 0.000 0.980 1081 N HN 0.291 nan 8.380 nan 0.000 0.486 1082 Q N 1.248 120.919 119.800 -0.216 0.000 2.373 1082 Q HA 0.170 4.510 4.340 0.000 0.000 0.255 1082 Q C -1.022 174.909 176.000 -0.115 0.000 0.980 1082 Q CA -0.014 55.618 55.803 -0.286 0.000 0.882 1082 Q CB 0.276 28.726 28.738 -0.480 0.000 1.249 1082 Q HN 0.314 nan 8.270 nan 0.000 0.438 1083 Y N 0.332 120.554 120.300 -0.130 0.000 2.656 1083 Y HA 0.721 5.271 4.550 0.000 0.000 0.334 1083 Y C -1.475 174.360 175.900 -0.108 0.000 1.179 1083 Y CA -1.090 56.913 58.100 -0.161 0.000 1.050 1083 Y CB 0.578 38.930 38.460 -0.180 0.000 1.308 1083 Y HN 0.497 nan 8.280 nan 0.000 0.456 1084 V N -1.683 118.271 119.914 0.067 0.000 3.188 1084 V HA 0.916 5.036 4.120 0.000 0.000 0.305 1084 V C -1.113 175.034 176.094 0.087 0.000 1.232 1084 V CA -0.891 61.455 62.300 0.077 0.000 1.043 1084 V CB 1.718 33.589 31.823 0.080 0.000 1.068 1084 V HN 0.969 nan 8.190 nan 0.000 0.439 1085 S N 1.742 117.520 115.700 0.130 0.000 2.521 1085 S HA 0.864 5.334 4.470 0.000 0.000 0.295 1085 S C -0.751 174.075 174.600 0.377 0.000 1.098 1085 S CA -0.471 57.879 58.200 0.250 0.000 0.999 1085 S CB 1.325 64.603 63.200 0.130 0.000 1.034 1085 S HN 0.742 nan 8.310 nan 0.000 0.483 1086 I N 2.205 123.072 120.570 0.495 0.000 2.582 1086 I HA 0.530 4.700 4.170 0.000 0.000 0.292 1086 I C -1.144 175.293 176.117 0.533 0.000 1.066 1086 I CA -0.531 61.092 61.300 0.537 0.000 1.053 1086 I CB 2.240 40.397 38.000 0.260 0.000 1.241 1086 I HN 0.448 nan 8.210 nan 0.000 0.421 1087 D N 5.156 125.899 120.400 0.573 0.000 2.645 1087 D HA 0.367 5.007 4.640 0.000 0.000 0.228 1087 D C -0.703 175.824 176.300 0.377 0.000 1.148 1087 D CA -0.338 53.851 54.000 0.315 0.000 0.860 1087 D CB 1.468 42.229 40.800 -0.064 0.000 1.548 1087 D HN 0.305 nan 8.370 nan 0.000 0.460 1088 K N 1.567 122.116 120.400 0.248 0.000 3.077 1088 K HA -0.238 4.082 4.320 0.000 0.000 0.264 1088 K C -0.162 176.656 176.600 0.362 0.000 1.008 1088 K CA 0.223 56.666 56.287 0.260 0.000 0.740 1088 K CB -2.378 30.201 32.500 0.132 0.000 1.273 1088 K HN 0.439 nan 8.250 nan 0.000 0.477 1089 F N 1.491 121.591 119.950 0.251 0.000 2.602 1089 F HA 0.099 4.626 4.527 -0.000 0.000 0.385 1089 F C 0.870 176.784 175.800 0.190 0.000 1.063 1089 F CA 0.500 58.646 58.000 0.243 0.000 1.233 1089 F CB 0.379 39.470 39.000 0.152 0.000 1.067 1089 F HN 0.221 nan 8.300 nan 0.000 0.564 1090 R N 6.508 126.657 120.500 -0.585 0.000 2.668 1090 R HA 0.638 4.978 4.340 0.000 0.000 0.272 1090 R C -1.890 174.038 176.300 -0.620 0.000 1.019 1090 R CA -0.731 55.082 56.100 -0.477 0.000 0.894 1090 R CB 1.410 31.583 30.300 -0.212 0.000 1.228 1090 R HN 0.752 nan 8.270 nan 0.000 0.460 1091 I N 3.661 123.914 120.570 -0.528 0.000 2.545 1091 I HA 0.446 4.616 4.170 0.000 0.000 0.292 1091 I C -1.100 174.789 176.117 -0.380 0.000 1.040 1091 I CA -0.778 60.339 61.300 -0.305 0.000 1.068 1091 I CB 1.810 39.758 38.000 -0.088 0.000 1.251 1091 I HN 0.432 nan 8.210 nan 0.000 0.424 1092 F N 3.283 123.230 119.950 -0.005 0.000 2.522 1092 F HA 0.290 4.817 4.527 -0.000 0.000 0.324 1092 F C 0.898 176.742 175.800 0.073 0.000 1.077 1092 F CA -0.948 57.064 58.000 0.021 0.000 0.944 1092 F CB 1.359 40.347 39.000 -0.020 0.000 1.175 1092 F HN 0.501 nan 8.300 nan 0.000 0.468 1093 c N 0.212 118.961 118.600 0.249 0.000 2.305 1093 c HA 0.536 5.106 4.570 0.000 0.000 0.361 1093 c C -0.068 174.145 174.090 0.205 0.000 1.312 1093 c CA -0.664 55.789 56.329 0.206 0.000 1.705 1093 c CB -2.442 40.150 42.510 0.137 0.000 1.882 1093 c HN 0.820 nan 8.230 nan 0.000 0.587 1094 K N -1.123 119.392 120.400 0.192 0.000 2.579 1094 K HA 0.715 5.035 4.320 0.000 0.000 0.284 1094 K C -1.240 175.371 176.600 0.017 0.000 0.990 1094 K CA -0.496 55.856 56.287 0.109 0.000 0.880 1094 K CB 1.236 33.786 32.500 0.083 0.000 1.488 1094 K HN -0.009 nan 8.250 nan 0.000 0.425 1095 A N 2.668 125.470 122.820 -0.030 0.000 2.391 1095 A HA 0.396 4.716 4.320 0.000 0.000 0.316 1095 A C -0.107 177.382 177.584 -0.158 0.000 1.381 1095 A CA -0.812 51.157 52.037 -0.113 0.000 0.998 1095 A CB -0.455 18.496 19.000 -0.081 0.000 1.147 1095 A HN 0.593 nan 8.150 nan 0.000 0.545 1096 L N 3.470 124.535 121.223 -0.263 0.000 2.485 1096 L HA 0.074 4.414 4.340 0.000 0.000 0.275 1096 L C 1.044 177.740 176.870 -0.290 0.000 1.207 1096 L CA -0.133 54.509 54.840 -0.330 0.000 0.855 1096 L CB 0.195 41.946 42.059 -0.513 0.000 1.114 1096 L HN 0.885 nan 8.230 nan 0.000 0.485 1097 N N 2.313 120.865 118.700 -0.246 0.000 2.476 1097 N HA 0.265 5.005 4.740 0.000 0.000 0.275 1097 N C -2.333 173.017 175.510 -0.266 0.000 1.190 1097 N CA -1.701 51.229 53.050 -0.200 0.000 0.977 1097 N CB 1.173 39.581 38.487 -0.132 0.000 1.200 1097 N HN 0.210 nan 8.380 nan 0.000 0.515 1098 P HA -0.209 nan 4.420 nan 0.000 0.217 1098 P C 0.900 178.083 177.300 -0.195 0.000 1.158 1098 P CA 2.043 65.007 63.100 -0.227 0.000 0.887 1098 P CB 0.115 31.767 31.700 -0.080 0.000 0.792 1099 K N -0.421 119.894 120.400 -0.142 0.000 2.057 1099 K HA -0.171 4.149 4.320 0.000 0.000 0.207 1099 K C 2.104 178.617 176.600 -0.144 0.000 1.049 1099 K CA 1.459 57.676 56.287 -0.118 0.000 0.931 1099 K CB -0.368 32.075 32.500 -0.095 0.000 0.714 1099 K HN 0.297 nan 8.250 nan 0.000 0.440 1100 E N 0.718 120.806 120.200 -0.187 0.000 2.072 1100 E HA -0.145 4.205 4.350 0.000 0.000 0.191 1100 E C 2.044 178.506 176.600 -0.231 0.000 0.985 1100 E CA 0.979 57.251 56.400 -0.214 0.000 0.801 1100 E CB -0.112 29.432 29.700 -0.260 0.000 0.750 1100 E HN 0.278 nan 8.360 nan 0.000 0.452 1101 I N 1.122 121.518 120.570 -0.291 0.000 2.286 1101 I HA -0.239 3.931 4.170 0.000 0.000 0.248 1101 I C 2.554 178.611 176.117 -0.100 0.000 1.115 1101 I CA 0.971 62.103 61.300 -0.280 0.000 1.392 1101 I CB -0.121 37.551 38.000 -0.548 0.000 1.065 1101 I HN 0.057 nan 8.210 nan 0.000 0.418 1102 E N 1.640 121.781 120.200 -0.097 0.000 2.077 1102 E HA -0.271 4.079 4.350 0.000 0.000 0.193 1102 E C 1.998 178.603 176.600 0.008 0.000 0.989 1102 E CA 1.619 58.026 56.400 0.011 0.000 0.800 1102 E CB -0.056 29.631 29.700 -0.021 0.000 0.746 1102 E HN 0.156 nan 8.360 nan 0.000 0.452 1103 K N 0.129 120.491 120.400 -0.062 0.000 2.057 1103 K HA 0.003 4.323 4.320 0.000 0.000 0.206 1103 K C 2.195 178.730 176.600 -0.109 0.000 1.050 1103 K CA 1.114 57.347 56.287 -0.091 0.000 0.935 1103 K CB -0.592 31.843 32.500 -0.108 0.000 0.715 1103 K HN 0.266 nan 8.250 nan 0.000 0.439 1104 L N -0.052 121.119 121.223 -0.086 0.000 1.970 1104 L HA -0.244 4.097 4.340 0.000 0.000 0.212 1104 L C 2.211 179.014 176.870 -0.113 0.000 1.071 1104 L CA 2.009 56.804 54.840 -0.075 0.000 0.751 1104 L CB -0.592 41.496 42.059 0.048 0.000 0.889 1104 L HN 0.331 nan 8.230 nan 0.000 0.432 1105 Y N 1.378 121.574 120.300 -0.174 0.000 2.053 1105 Y HA -0.344 4.206 4.550 0.000 0.000 0.277 1105 Y C 2.878 178.702 175.900 -0.126 0.000 1.159 1105 Y CA 2.495 60.397 58.100 -0.331 0.000 1.125 1105 Y CB -1.115 37.296 38.460 -0.080 0.000 0.969 1105 Y HN 0.432 nan 8.280 nan 0.000 0.492 1106 T N -1.996 112.371 114.554 -0.312 0.000 3.051 1106 T HA -0.103 4.247 4.350 0.000 0.000 0.269 1106 T C 1.965 176.523 174.700 -0.236 0.000 1.127 1106 T CA 1.062 62.943 62.100 -0.366 0.000 1.107 1106 T CB -0.989 67.730 68.868 -0.248 0.000 0.898 1106 T HN 0.489 nan 8.240 nan 0.000 0.517 1107 S N -0.040 115.505 115.700 -0.257 0.000 2.481 1107 S HA -0.011 4.459 4.470 0.000 0.000 0.231 1107 S C 1.454 175.861 174.600 -0.321 0.000 0.996 1107 S CA -0.002 58.015 58.200 -0.304 0.000 0.942 1107 S CB -0.759 62.206 63.200 -0.392 0.000 0.768 1107 S HN 0.604 nan 8.310 nan 0.000 0.520 1108 Y N 1.438 121.669 120.300 -0.114 0.000 2.510 1108 Y HA 0.432 4.982 4.550 0.000 0.000 0.273 1108 Y C 0.982 176.765 175.900 -0.195 0.000 1.119 1108 Y CA -0.377 57.654 58.100 -0.115 0.000 1.286 1108 Y CB -0.159 38.328 38.460 0.045 0.000 1.061 1108 Y HN 0.199 nan 8.280 nan 0.000 0.542 1109 L N 2.063 123.265 121.223 -0.034 0.000 2.436 1109 L HA 0.068 4.408 4.340 0.000 0.000 0.244 1109 L C 0.525 177.343 176.870 -0.086 0.000 1.396 1109 L CA -0.290 54.504 54.840 -0.078 0.000 1.217 1109 L CB -0.950 41.050 42.059 -0.099 0.000 1.420 1109 L HN 0.116 nan 8.230 nan 0.000 0.434 1110 S N 0.240 115.871 115.700 -0.115 0.000 2.671 1110 S HA 0.133 4.603 4.470 0.000 0.000 0.331 1110 S C 1.034 175.609 174.600 -0.042 0.000 1.182 1110 S CA -0.552 57.585 58.200 -0.105 0.000 1.276 1110 S CB -0.322 62.764 63.200 -0.189 0.000 1.360 1110 S HN 0.512 nan 8.310 nan 0.000 0.563 1111 I N 2.423 122.984 120.570 -0.016 0.000 3.330 1111 I HA -0.152 4.018 4.170 0.000 0.000 0.298 1111 I C 2.234 178.389 176.117 0.063 0.000 1.317 1111 I CA 0.772 62.083 61.300 0.018 0.000 1.334 1111 I CB -1.593 36.409 38.000 0.003 0.000 1.031 1111 I HN 0.800 nan 8.210 nan 0.000 0.547 1112 T N -1.753 112.875 114.554 0.122 0.000 2.901 1112 T HA 0.057 4.407 4.350 0.000 0.000 0.252 1112 T C 0.564 175.464 174.700 0.334 0.000 1.035 1112 T CA 0.161 62.397 62.100 0.227 0.000 1.142 1112 T CB -0.174 68.890 68.868 0.326 0.000 0.869 1112 T HN -0.011 nan 8.240 nan 0.000 0.442 1113 F N 2.142 122.090 119.950 -0.003 0.000 2.396 1113 F HA 0.587 5.114 4.527 0.000 0.000 0.343 1113 F C 0.463 176.248 175.800 -0.026 0.000 1.104 1113 F CA -2.461 55.549 58.000 0.016 0.000 1.161 1113 F CB 0.479 39.460 39.000 -0.032 0.000 1.146 1113 F HN 0.082 nan 8.300 nan 0.000 0.522 1114 L N 4.016 125.297 121.223 0.097 0.000 2.439 1114 L HA 0.539 4.879 4.340 0.000 0.000 0.261 1114 L C 0.228 177.100 176.870 0.004 0.000 1.153 1114 L CA -0.660 54.178 54.840 -0.003 0.000 0.808 1114 L CB 0.829 42.807 42.059 -0.135 0.000 1.126 1114 L HN 0.565 nan 8.230 nan 0.000 0.460 1115 R N -0.065 120.427 120.500 -0.014 0.000 2.854 1115 R HA 0.367 4.707 4.340 0.000 0.000 0.271 1115 R C -1.298 174.992 176.300 -0.017 0.000 0.994 1115 R CA -0.972 55.115 56.100 -0.023 0.000 0.945 1115 R CB 1.775 32.031 30.300 -0.074 0.000 1.194 1115 R HN 0.664 nan 8.270 nan 0.000 0.476 1116 D N 0.151 120.562 120.400 0.018 0.000 2.478 1116 D HA -0.017 4.623 4.640 0.000 0.000 0.269 1116 D C 0.710 177.090 176.300 0.134 0.000 1.232 1116 D CA -0.617 53.435 54.000 0.086 0.000 1.059 1116 D CB 0.237 41.176 40.800 0.232 0.000 1.104 1116 D HN 0.377 nan 8.370 nan 0.000 0.566 1117 F N -0.508 119.388 119.950 -0.090 0.000 2.154 1117 F HA -0.077 4.450 4.527 0.000 0.000 0.301 1117 F C 1.463 177.126 175.800 -0.229 0.000 1.087 1117 F CA 1.218 59.045 58.000 -0.288 0.000 1.274 1117 F CB -0.219 38.324 39.000 -0.762 0.000 1.009 1117 F HN 0.413 nan 8.300 nan 0.000 0.485 1118 W N -0.432 120.930 121.300 0.103 0.000 2.800 1118 W HA 0.270 4.930 4.660 0.000 0.000 0.249 1118 W C 1.899 178.362 176.519 -0.093 0.000 1.294 1118 W CA 0.533 57.879 57.345 0.001 0.000 1.402 1118 W CB -0.311 29.221 29.460 0.119 0.000 1.126 1118 W HN 0.215 nan 8.180 nan 0.000 0.652 1119 G N -0.276 108.377 108.800 -0.244 0.000 2.179 1119 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 1119 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 1119 G C 0.110 174.892 174.900 -0.198 0.000 0.990 1119 G CA -0.471 44.102 45.100 -0.878 0.000 0.646 1119 G HN 0.128 nan 8.290 nan 0.000 0.517 1120 N N 1.200 119.971 118.700 0.117 0.000 2.463 1120 N HA 0.495 5.235 4.740 0.000 0.000 0.270 1120 N C -2.708 172.850 175.510 0.081 0.000 1.205 1120 N CA -1.433 51.714 53.050 0.162 0.000 0.974 1120 N CB 0.748 39.417 38.487 0.304 0.000 1.197 1120 N HN 0.008 nan 8.380 nan 0.000 0.504 1121 P HA 0.035 nan 4.420 nan 0.000 0.264 1121 P C 0.088 177.474 177.300 0.144 0.000 1.193 1121 P CA 0.077 63.250 63.100 0.122 0.000 0.763 1121 P CB 0.609 32.406 31.700 0.162 0.000 0.810 1122 L N 4.666 125.926 121.223 0.062 0.000 2.456 1122 L HA 0.146 4.486 4.340 0.000 0.000 0.272 1122 L C 0.731 177.634 176.870 0.054 0.000 1.189 1122 L CA 0.331 55.154 54.840 -0.027 0.000 0.846 1122 L CB 0.231 42.133 42.059 -0.261 0.000 1.111 1122 L HN 0.394 nan 8.230 nan 0.000 0.475 1123 R N 3.229 123.844 120.500 0.193 0.000 2.807 1123 R HA 0.359 4.699 4.340 0.000 0.000 0.276 1123 R C -1.129 175.246 176.300 0.124 0.000 0.979 1123 R CA -0.852 55.341 56.100 0.154 0.000 0.928 1123 R CB 1.371 31.813 30.300 0.235 0.000 1.191 1123 R HN 0.337 nan 8.270 nan 0.000 0.471 1124 Y N 1.006 121.390 120.300 0.139 0.000 2.299 1124 Y HA -0.004 4.546 4.550 0.000 0.000 0.335 1124 Y C 0.783 176.747 175.900 0.107 0.000 1.287 1124 Y CA 0.570 58.739 58.100 0.116 0.000 1.424 1124 Y CB 0.523 39.009 38.460 0.044 0.000 1.326 1124 Y HN 0.647 nan 8.280 nan 0.000 0.567 1125 D N 0.015 120.587 120.400 0.286 0.000 2.737 1125 D HA -0.182 4.458 4.640 0.000 0.000 0.233 1125 D C -0.754 175.591 176.300 0.074 0.000 1.155 1125 D CA 1.161 55.246 54.000 0.143 0.000 0.667 1125 D CB -1.615 39.242 40.800 0.094 0.000 1.060 1125 D HN 0.429 nan 8.370 nan 0.000 0.427 1126 T N 0.324 114.914 114.554 0.060 0.000 2.861 1126 T HA 0.318 4.668 4.350 0.000 0.000 0.287 1126 T C 0.143 174.667 174.700 -0.294 0.000 1.003 1126 T CA -0.776 61.235 62.100 -0.148 0.000 0.977 1126 T CB 2.250 70.967 68.868 -0.252 0.000 0.996 1126 T HN -0.063 nan 8.240 nan 0.000 0.448 1127 E N 1.900 121.923 120.200 -0.295 0.000 2.344 1127 E HA 0.281 4.631 4.350 0.000 0.000 0.270 1127 E C -1.181 175.188 176.600 -0.386 0.000 1.021 1127 E CA -0.004 56.249 56.400 -0.245 0.000 0.887 1127 E CB 0.590 30.167 29.700 -0.204 0.000 0.997 1127 E HN 0.493 nan 8.360 nan 0.000 0.429 1128 Y N 1.263 121.581 120.300 0.029 0.000 2.492 1128 Y HA 0.263 4.813 4.550 0.000 0.000 0.346 1128 Y C -0.852 175.028 175.900 -0.034 0.000 0.997 1128 Y CA -0.917 57.233 58.100 0.084 0.000 1.025 1128 Y CB 1.138 39.763 38.460 0.274 0.000 1.263 1128 Y HN 0.419 nan 8.280 nan 0.000 0.454 1129 Y N 2.963 123.444 120.300 0.301 0.000 2.320 1129 Y HA 0.490 5.040 4.550 0.000 0.000 0.334 1129 Y C -0.187 175.735 175.900 0.037 0.000 1.055 1129 Y CA -0.608 57.612 58.100 0.201 0.000 1.143 1129 Y CB 0.889 39.444 38.460 0.159 0.000 1.193 1129 Y HN 0.337 nan 8.280 nan 0.000 0.477 1130 L N 5.400 126.678 121.223 0.091 0.000 2.289 1130 L HA 0.533 4.874 4.340 0.000 0.000 0.285 1130 L C -0.607 176.349 176.870 0.143 0.000 1.049 1130 L CA -0.444 54.302 54.840 -0.156 0.000 0.804 1130 L CB 1.006 42.629 42.059 -0.727 0.000 1.195 1130 L HN 0.548 nan 8.230 nan 0.000 0.428 1131 I N 4.928 125.649 120.570 0.252 0.000 2.499 1131 I HA 0.335 4.505 4.170 0.000 0.000 0.288 1131 I C -2.376 173.887 176.117 0.243 0.000 1.048 1131 I CA -1.973 59.485 61.300 0.264 0.000 1.062 1131 I CB 2.801 40.923 38.000 0.204 0.000 1.238 1131 I HN 0.332 nan 8.210 nan 0.000 0.426 1132 P HA 0.098 nan 4.420 nan 0.000 0.282 1132 P C 0.867 177.974 177.300 -0.321 0.000 1.262 1132 P CA -0.152 62.592 63.100 -0.593 0.000 0.773 1132 P CB 1.863 33.075 31.700 -0.814 0.000 0.879 1133 V N 4.057 123.683 119.914 -0.480 0.000 2.380 1133 V HA -0.280 3.841 4.120 0.000 0.000 0.251 1133 V C 2.570 178.571 176.094 -0.154 0.000 1.063 1133 V CA 2.788 64.859 62.300 -0.380 0.000 1.055 1133 V CB -1.595 29.895 31.823 -0.555 0.000 0.657 1133 V HN 0.638 nan 8.190 nan 0.000 0.455 1134 A N -1.172 121.508 122.820 -0.233 0.000 2.172 1134 A HA 0.027 4.348 4.320 0.000 0.000 0.216 1134 A C 1.452 178.976 177.584 -0.100 0.000 1.154 1134 A CA 1.347 53.297 52.037 -0.145 0.000 0.701 1134 A CB -0.103 18.794 19.000 -0.170 0.000 0.789 1134 A HN 0.504 nan 8.150 nan 0.000 0.465 1135 S N -0.899 114.736 115.700 -0.109 0.000 2.606 1135 S HA 0.130 4.600 4.470 0.000 0.000 0.156 1135 S C 0.849 175.407 174.600 -0.069 0.000 1.308 1135 S CA 0.081 58.236 58.200 -0.075 0.000 1.228 1135 S CB 0.475 63.625 63.200 -0.084 0.000 1.568 1135 S HN 0.671 nan 8.310 nan 0.000 0.397 1136 S N 1.101 116.779 115.700 -0.036 0.000 2.465 1136 S HA -0.147 4.323 4.470 0.000 0.000 0.241 1136 S C 1.799 176.204 174.600 -0.325 0.000 1.000 1136 S CA 1.349 59.482 58.200 -0.111 0.000 0.964 1136 S CB -0.456 62.716 63.200 -0.046 0.000 0.763 1136 S HN 0.729 nan 8.310 nan 0.000 0.512 1137 S N 0.396 115.974 115.700 -0.204 0.000 2.603 1137 S HA 0.235 4.705 4.470 0.000 0.000 0.220 1137 S C 0.343 174.880 174.600 -0.105 0.000 0.967 1137 S CA -0.492 57.602 58.200 -0.176 0.000 0.920 1137 S CB -0.171 62.973 63.200 -0.094 0.000 0.773 1137 S HN 0.285 nan 8.310 nan 0.000 0.529 1138 K N 1.987 122.339 120.400 -0.080 0.000 2.182 1138 K HA 0.509 4.830 4.320 0.000 0.000 0.262 1138 K C -1.084 175.519 176.600 0.004 0.000 0.957 1138 K CA -0.483 55.791 56.287 -0.021 0.000 0.842 1138 K CB 1.251 33.753 32.500 0.003 0.000 1.099 1138 K HN 0.182 nan 8.250 nan 0.000 0.438 1139 D N 0.632 121.047 120.400 0.025 0.000 2.384 1139 D HA 0.361 5.002 4.640 0.000 0.000 0.250 1139 D C -0.423 175.925 176.300 0.080 0.000 1.029 1139 D CA -0.631 53.402 54.000 0.055 0.000 0.990 1139 D CB 1.888 42.708 40.800 0.033 0.000 1.175 1139 D HN -0.009 nan 8.370 nan 0.000 0.532 1140 V N 1.251 121.239 119.914 0.123 0.000 2.472 1140 V HA 0.380 4.500 4.120 0.000 0.000 0.290 1140 V C 0.022 176.107 176.094 -0.016 0.000 1.037 1140 V CA -0.421 61.939 62.300 0.100 0.000 0.908 1140 V CB 1.481 33.442 31.823 0.229 0.000 0.985 1140 V HN 0.403 nan 8.190 nan 0.000 0.454 1141 Q N 3.052 122.703 119.800 -0.248 0.000 2.451 1141 Q HA 0.710 5.050 4.340 0.000 0.000 0.281 1141 Q C -1.654 174.061 176.000 -0.475 0.000 1.099 1141 Q CA -0.625 54.939 55.803 -0.399 0.000 0.806 1141 Q CB 2.054 30.416 28.738 -0.626 0.000 1.419 1141 Q HN 0.634 nan 8.270 nan 0.000 0.427 1142 L N 2.118 123.141 121.223 -0.334 0.000 2.329 1142 L HA 0.538 4.878 4.340 0.000 0.000 0.279 1142 L C 0.408 177.156 176.870 -0.204 0.000 1.014 1142 L CA -0.157 54.507 54.840 -0.294 0.000 0.814 1142 L CB 1.438 43.258 42.059 -0.398 0.000 1.257 1142 L HN 0.798 nan 8.230 nan 0.000 0.424 1143 K N 2.976 123.248 120.400 -0.213 0.000 2.007 1143 K HA 0.147 4.467 4.320 0.000 0.000 0.206 1143 K C -0.102 176.394 176.600 -0.174 0.000 1.047 1143 K CA 1.379 57.543 56.287 -0.205 0.000 0.937 1143 K CB 0.170 32.287 32.500 -0.638 0.000 0.718 1143 K HN 0.736 nan 8.250 nan 0.000 0.438 1144 N N -0.930 117.637 118.700 -0.222 0.000 3.265 1144 N HA 0.118 4.858 4.740 0.000 0.000 0.235 1144 N C -1.388 173.977 175.510 -0.242 0.000 1.343 1144 N CA -0.608 52.322 53.050 -0.201 0.000 0.904 1144 N CB 0.837 39.262 38.487 -0.104 0.000 1.492 1144 N HN -0.143 nan 8.380 nan 0.000 0.504 1145 I N 1.875 122.280 120.570 -0.275 0.000 2.815 1145 I HA -0.071 4.099 4.170 0.000 0.000 0.291 1145 I C 1.696 177.729 176.117 -0.141 0.000 1.209 1145 I CA 1.519 62.638 61.300 -0.302 0.000 1.431 1145 I CB -0.547 37.275 38.000 -0.297 0.000 1.351 1145 I HN 0.937 nan 8.210 nan 0.000 0.585 1146 T N 1.002 115.507 114.554 -0.081 0.000 7.058 1146 T HA -0.210 4.141 4.350 0.000 0.000 0.289 1146 T C 0.338 175.109 174.700 0.118 0.000 2.142 1146 T CA 1.144 63.265 62.100 0.035 0.000 3.531 1146 T CB -1.321 67.526 68.868 -0.034 0.000 1.423 1146 T HN 0.582 nan 8.240 nan 0.000 1.040 1147 D N 0.686 121.110 120.400 0.041 0.000 2.560 1147 D HA 0.606 5.246 4.640 0.000 0.000 0.277 1147 D C 0.530 176.907 176.300 0.128 0.000 1.194 1147 D CA -0.343 53.719 54.000 0.104 0.000 1.092 1147 D CB 0.607 41.427 40.800 0.033 0.000 1.169 1147 D HN 0.583 nan 8.370 nan 0.000 0.607 1148 Y N -0.714 119.638 120.300 0.086 0.000 2.340 1148 Y HA 0.599 5.149 4.550 0.000 0.000 0.327 1148 Y C -0.141 175.852 175.900 0.154 0.000 1.321 1148 Y CA -0.858 57.315 58.100 0.123 0.000 1.433 1148 Y CB 0.372 38.921 38.460 0.149 0.000 1.373 1148 Y HN 0.093 nan 8.280 nan 0.000 0.538 1149 M N 1.978 121.768 119.600 0.318 0.000 2.598 1149 M HA 0.488 4.968 4.480 0.000 0.000 0.317 1149 M C -1.595 174.968 176.300 0.440 0.000 1.179 1149 M CA -0.848 54.569 55.300 0.194 0.000 0.936 1149 M CB 2.356 35.046 32.600 0.151 0.000 1.713 1149 M HN 0.850 nan 8.290 nan 0.000 0.460 1150 Y N -0.763 119.655 120.300 0.196 0.000 2.670 1150 Y HA 0.776 5.326 4.550 0.000 0.000 0.334 1150 Y C -1.943 174.061 175.900 0.173 0.000 1.185 1150 Y CA -1.579 56.661 58.100 0.234 0.000 1.053 1150 Y CB 0.907 39.536 38.460 0.281 0.000 1.298 1150 Y HN 0.536 nan 8.280 nan 0.000 0.459 1151 L N 2.361 123.758 121.223 0.290 0.000 2.357 1151 L HA 0.762 5.102 4.340 0.000 0.000 0.273 1151 L C 0.020 177.009 176.870 0.199 0.000 1.080 1151 L CA -0.575 54.364 54.840 0.165 0.000 0.803 1151 L CB 1.709 43.858 42.059 0.150 0.000 1.174 1151 L HN 0.966 nan 8.230 nan 0.000 0.443 1152 T N -2.188 112.424 114.554 0.096 0.000 2.896 1152 T HA 0.393 4.743 4.350 0.000 0.000 0.297 1152 T C -0.490 174.247 174.700 0.061 0.000 1.108 1152 T CA -1.110 61.057 62.100 0.112 0.000 1.004 1152 T CB 1.518 70.437 68.868 0.084 0.000 1.159 1152 T HN 0.357 nan 8.240 nan 0.000 0.499 1153 N N 1.219 119.952 118.700 0.055 0.000 2.497 1153 N HA 0.456 5.196 4.740 0.000 0.000 0.268 1153 N C 0.095 175.616 175.510 0.018 0.000 1.171 1153 N CA -0.166 52.900 53.050 0.026 0.000 0.948 1153 N CB 1.144 39.645 38.487 0.023 0.000 1.069 1153 N HN 0.968 nan 8.380 nan 0.000 0.460 1154 A N 3.768 126.585 122.820 -0.004 0.000 2.340 1154 A HA 0.400 4.720 4.320 0.000 0.000 0.268 1154 A C -1.768 175.823 177.584 0.011 0.000 1.100 1154 A CA -1.057 50.976 52.037 -0.006 0.000 0.803 1154 A CB -0.117 18.857 19.000 -0.042 0.000 1.043 1154 A HN 0.489 nan 8.150 nan 0.000 0.488 1155 P HA 0.239 nan 4.420 nan 0.000 0.272 1155 P C -0.280 177.055 177.300 0.057 0.000 1.230 1155 P CA 0.020 63.145 63.100 0.041 0.000 0.788 1155 P CB 1.023 32.754 31.700 0.052 0.000 0.949 1156 S N 0.588 116.322 115.700 0.055 0.000 2.671 1156 S HA 0.622 5.092 4.470 0.000 0.000 0.299 1156 S C -1.379 173.258 174.600 0.061 0.000 1.116 1156 S CA -0.683 57.556 58.200 0.065 0.000 0.912 1156 S CB 1.520 64.745 63.200 0.042 0.000 1.130 1156 S HN 0.539 nan 8.310 nan 0.000 0.501 1157 Y N 1.015 121.205 120.300 -0.183 0.000 2.425 1157 Y HA 0.654 5.204 4.550 0.000 0.000 0.344 1157 Y C -0.686 175.064 175.900 -0.251 0.000 0.969 1157 Y CA -0.136 57.795 58.100 -0.282 0.000 1.052 1157 Y CB 2.038 40.171 38.460 -0.545 0.000 1.215 1157 Y HN 1.126 nan 8.280 nan 0.000 0.451 1158 T N 2.892 116.903 114.554 -0.905 0.000 2.933 1158 T HA 0.424 4.774 4.350 0.000 0.000 0.305 1158 T C -1.659 172.587 174.700 -0.757 0.000 1.092 1158 T CA -0.980 60.752 62.100 -0.614 0.000 1.008 1158 T CB 1.674 70.357 68.868 -0.309 0.000 1.102 1158 T HN 0.648 nan 8.240 nan 0.000 0.469 1159 N N 0.754 119.205 118.700 -0.415 0.000 2.609 1159 N HA 0.323 5.063 4.740 0.000 0.000 0.268 1159 N C 1.183 176.638 175.510 -0.092 0.000 1.106 1159 N CA -0.143 52.761 53.050 -0.244 0.000 0.823 1159 N CB 1.655 40.070 38.487 -0.120 0.000 1.263 1159 N HN 0.943 nan 8.380 nan 0.000 0.533 1160 G N 2.522 111.268 108.800 -0.090 0.000 2.433 1160 G HA2 -0.271 3.689 3.960 0.000 0.000 0.216 1160 G HA3 -0.271 3.689 3.960 0.000 0.000 0.216 1160 G C 1.300 176.188 174.900 -0.020 0.000 1.186 1160 G CA 0.755 45.825 45.100 -0.050 0.000 0.779 1160 G HN 0.592 nan 8.290 nan 0.000 0.543 1161 K N -0.005 120.383 120.400 -0.019 0.000 2.034 1161 K HA -0.053 4.267 4.320 0.000 0.000 0.214 1161 K C 2.358 178.965 176.600 0.010 0.000 1.051 1161 K CA 1.345 57.630 56.287 -0.004 0.000 0.931 1161 K CB -0.301 32.198 32.500 -0.001 0.000 0.715 1161 K HN 0.359 nan 8.250 nan 0.000 0.446 1162 L N 0.257 121.493 121.223 0.021 0.000 2.558 1162 L HA 0.008 4.348 4.340 0.000 0.000 0.225 1162 L C 0.425 177.323 176.870 0.046 0.000 1.128 1162 L CA 0.027 54.891 54.840 0.039 0.000 0.868 1162 L CB -0.471 41.626 42.059 0.063 0.000 1.006 1162 L HN 0.393 nan 8.230 nan 0.000 0.454 1163 N N 1.409 120.136 118.700 0.045 0.000 2.727 1163 N HA -0.219 4.521 4.740 0.000 0.000 0.251 1163 N C -0.610 174.974 175.510 0.124 0.000 1.040 1163 N CA 0.665 53.760 53.050 0.076 0.000 0.712 1163 N CB -1.103 37.418 38.487 0.058 0.000 0.912 1163 N HN 0.596 nan 8.380 nan 0.000 0.545 1164 I N -2.084 118.572 120.570 0.143 0.000 2.865 1164 I HA 0.868 5.039 4.170 0.000 0.000 0.302 1164 I C -0.740 175.511 176.117 0.223 0.000 1.140 1164 I CA -1.135 60.259 61.300 0.158 0.000 1.021 1164 I CB 2.109 40.204 38.000 0.158 0.000 1.233 1164 I HN 0.112 nan 8.210 nan 0.000 0.427 1165 Y N 2.631 122.995 120.300 0.107 0.000 2.702 1165 Y HA 0.813 5.363 4.550 -0.000 0.000 0.336 1165 Y C -1.939 174.087 175.900 0.210 0.000 1.203 1165 Y CA -1.501 56.587 58.100 -0.019 0.000 1.072 1165 Y CB 0.907 39.321 38.460 -0.078 0.000 1.327 1165 Y HN 0.896 nan 8.280 nan 0.000 0.456 1166 Y N -1.099 119.394 120.300 0.321 0.000 2.661 1166 Y HA 0.601 5.151 4.550 -0.000 0.000 0.339 1166 Y C -1.262 174.834 175.900 0.327 0.000 1.186 1166 Y CA -2.066 56.220 58.100 0.309 0.000 1.137 1166 Y CB 0.640 39.334 38.460 0.390 0.000 1.354 1166 Y HN 0.853 nan 8.280 nan 0.000 0.469 1167 R N 1.399 122.148 120.500 0.416 0.000 2.442 1167 R HA 0.475 4.815 4.340 0.000 0.000 0.291 1167 R C -0.703 175.828 176.300 0.384 0.000 1.069 1167 R CA -0.507 55.722 56.100 0.214 0.000 1.022 1167 R CB 0.496 30.768 30.300 -0.047 0.000 0.976 1167 R HN 0.737 nan 8.270 nan 0.000 0.443 1168 R N 2.378 123.052 120.500 0.289 0.000 2.738 1168 R HA 0.235 4.575 4.340 0.000 0.000 0.268 1168 R C -0.037 176.301 176.300 0.063 0.000 1.062 1168 R CA -0.216 56.081 56.100 0.328 0.000 1.158 1168 R CB 0.308 30.738 30.300 0.217 0.000 1.046 1168 R HN 0.497 nan 8.270 nan 0.000 0.493 1169 L N 1.260 122.416 121.223 -0.110 0.000 2.298 1169 L HA 0.354 4.694 4.340 0.000 0.000 0.268 1169 L C -0.395 176.117 176.870 -0.597 0.000 1.010 1169 L CA -0.978 53.501 54.840 -0.602 0.000 0.812 1169 L CB 0.686 41.973 42.059 -1.288 0.000 1.331 1169 L HN 0.674 nan 8.230 nan 0.000 0.450 1170 Y N -1.238 118.728 120.300 -0.558 0.000 4.644 1170 Y HA -0.232 4.318 4.550 0.000 0.000 0.241 1170 Y C -0.041 175.344 175.900 -0.859 0.000 1.077 1170 Y CA -0.219 57.229 58.100 -1.088 0.000 2.080 1170 Y CB -2.655 35.563 38.460 -0.404 0.000 1.613 1170 Y HN 0.582 nan 8.280 nan 0.000 0.686 1171 N N 0.459 118.918 118.700 -0.401 0.000 2.384 1171 N HA 0.711 5.451 4.740 0.000 0.000 0.301 1171 N C 0.635 176.171 175.510 0.044 0.000 1.133 1171 N CA 0.568 53.567 53.050 -0.084 0.000 0.853 1171 N CB 2.263 40.736 38.487 -0.023 0.000 1.241 1171 N HN 0.547 nan 8.380 nan 0.000 0.502 1172 G N -0.105 108.798 108.800 0.171 0.000 2.498 1172 G HA2 -0.134 3.826 3.960 0.000 0.000 0.651 1172 G HA3 -0.134 3.826 3.960 0.000 0.000 0.651 1172 G C -0.919 174.162 174.900 0.302 0.000 1.284 1172 G CA -0.935 44.293 45.100 0.213 0.000 0.950 1172 G HN 0.420 nan 8.290 nan 0.000 0.511 1173 L N 0.058 121.396 121.223 0.192 0.000 2.461 1173 L HA 0.368 4.708 4.340 0.000 0.000 0.272 1173 L C 0.949 177.785 176.870 -0.055 0.000 1.197 1173 L CA 0.006 54.849 54.840 0.005 0.000 0.836 1173 L CB 0.451 42.338 42.059 -0.286 0.000 1.105 1173 L HN 0.471 nan 8.230 nan 0.000 0.477 1174 K N 2.551 122.808 120.400 -0.238 0.000 2.240 1174 K HA 0.483 4.803 4.320 0.000 0.000 0.271 1174 K C -1.175 175.251 176.600 -0.289 0.000 1.018 1174 K CA -0.319 55.776 56.287 -0.321 0.000 0.874 1174 K CB 1.113 33.438 32.500 -0.292 0.000 1.098 1174 K HN 0.170 nan 8.250 nan 0.000 0.458 1175 F N 2.825 122.735 119.950 -0.068 0.000 2.458 1175 F HA 0.530 5.057 4.527 0.000 0.000 0.330 1175 F C 0.291 176.180 175.800 0.147 0.000 1.082 1175 F CA -0.873 57.155 58.000 0.047 0.000 0.995 1175 F CB 1.130 40.127 39.000 -0.006 0.000 1.170 1175 F HN 0.193 nan 8.300 nan 0.000 0.478 1176 I N 3.518 124.322 120.570 0.390 0.000 2.533 1176 I HA 0.394 4.564 4.170 0.000 0.000 0.290 1176 I C -0.908 175.468 176.117 0.431 0.000 1.056 1176 I CA -0.626 60.882 61.300 0.347 0.000 1.057 1176 I CB 2.211 40.328 38.000 0.195 0.000 1.240 1176 I HN 0.371 nan 8.210 nan 0.000 0.423 1177 I N 6.001 126.823 120.570 0.420 0.000 2.331 1177 I HA 0.349 4.519 4.170 0.000 0.000 0.292 1177 I C -0.127 176.267 176.117 0.462 0.000 0.998 1177 I CA -0.430 61.112 61.300 0.402 0.000 1.267 1177 I CB 0.886 39.035 38.000 0.249 0.000 1.386 1177 I HN 0.435 nan 8.210 nan 0.000 0.476 1178 K N 5.985 126.671 120.400 0.477 0.000 2.318 1178 K HA 0.559 4.879 4.320 0.000 0.000 0.249 1178 K C -0.730 176.058 176.600 0.314 0.000 0.942 1178 K CA -1.052 55.458 56.287 0.371 0.000 0.808 1178 K CB 2.189 34.870 32.500 0.301 0.000 1.189 1178 K HN 0.469 nan 8.250 nan 0.000 0.428 1179 R N 1.464 121.947 120.500 -0.029 0.000 2.489 1179 R HA -0.039 4.301 4.340 0.000 0.000 0.287 1179 R C 0.672 177.022 176.300 0.083 0.000 1.053 1179 R CA 0.066 56.071 56.100 -0.159 0.000 1.036 1179 R CB 0.058 30.099 30.300 -0.432 0.000 0.966 1179 R HN 0.619 nan 8.270 nan 0.000 0.432 1180 Y N 2.111 122.454 120.300 0.071 0.000 2.263 1180 Y HA -0.118 4.433 4.550 0.000 0.000 0.292 1180 Y C 0.808 176.727 175.900 0.032 0.000 1.130 1180 Y CA 1.381 59.535 58.100 0.091 0.000 1.179 1180 Y CB 0.589 39.139 38.460 0.149 0.000 0.998 1180 Y HN 0.669 nan 8.280 nan 0.000 0.532 1181 T N -1.919 112.666 114.554 0.051 0.000 2.868 1181 T HA 0.395 4.745 4.350 0.000 0.000 0.306 1181 T C -3.009 171.661 174.700 -0.051 0.000 1.224 1181 T CA -2.045 60.031 62.100 -0.039 0.000 1.012 1181 T CB 1.769 70.649 68.868 0.020 0.000 1.221 1181 T HN -0.096 nan 8.240 nan 0.000 0.499 1182 P HA 0.117 nan 4.420 nan 0.000 0.261 1182 P C -0.499 176.751 177.300 -0.083 0.000 1.183 1182 P CA -0.003 63.040 63.100 -0.096 0.000 0.761 1182 P CB 0.118 31.774 31.700 -0.075 0.000 0.785 1183 N N 1.724 120.345 118.700 -0.131 0.000 2.482 1183 N HA 0.074 4.815 4.740 0.000 0.000 0.279 1183 N C 1.092 176.542 175.510 -0.102 0.000 1.182 1183 N CA -0.981 52.001 53.050 -0.114 0.000 0.969 1183 N CB 0.794 39.181 38.487 -0.167 0.000 1.201 1183 N HN 0.441 nan 8.380 nan 0.000 0.523 1184 N N 0.346 118.997 118.700 -0.082 0.000 1.135 1184 N HA -0.383 4.357 4.740 0.000 0.000 0.134 1184 N C -0.426 175.056 175.510 -0.047 0.000 0.229 1184 N CA 2.305 55.321 53.050 -0.057 0.000 1.053 1184 N CB -0.263 38.184 38.487 -0.066 0.000 1.319 1184 N HN 0.804 nan 8.380 nan 0.000 0.931 1185 E N -0.056 120.112 120.200 -0.053 0.000 4.170 1185 E HA 0.291 4.641 4.350 0.000 0.000 0.215 1185 E C -0.595 175.976 176.600 -0.048 0.000 1.119 1185 E CA -0.041 56.339 56.400 -0.033 0.000 1.396 1185 E CB 0.386 30.086 29.700 -0.001 0.000 1.182 1185 E HN 0.498 nan 8.360 nan 0.000 0.438 1186 I N 0.390 120.906 120.570 -0.090 0.000 6.379 1186 I HA -0.262 3.908 4.170 0.000 0.000 0.126 1186 I C -0.396 175.660 176.117 -0.101 0.000 1.821 1186 I CA 0.489 61.724 61.300 -0.109 0.000 2.063 1186 I CB -1.175 36.785 38.000 -0.067 0.000 3.472 1186 I HN 0.371 nan 8.210 nan 0.000 0.177 1187 D N 1.652 121.946 120.400 -0.177 0.000 2.488 1187 D HA 0.068 4.708 4.640 0.000 0.000 0.238 1187 D C 1.470 177.668 176.300 -0.170 0.000 1.138 1187 D CA 0.954 54.789 54.000 -0.276 0.000 0.873 1187 D CB 1.023 41.300 40.800 -0.871 0.000 1.183 1187 D HN 0.538 nan 8.370 nan 0.000 0.458 1188 S N 2.117 117.847 115.700 0.051 0.000 2.461 1188 S HA -0.080 4.390 4.470 0.000 0.000 0.228 1188 S C 0.792 175.530 174.600 0.230 0.000 1.005 1188 S CA 0.027 58.341 58.200 0.191 0.000 0.942 1188 S CB -0.288 63.045 63.200 0.221 0.000 0.776 1188 S HN 0.426 nan 8.310 nan 0.000 0.514 1189 F N 1.425 121.422 119.950 0.078 0.000 2.371 1189 F HA 0.759 5.286 4.527 0.000 0.000 0.329 1189 F C -0.397 175.299 175.800 -0.173 0.000 1.107 1189 F CA -2.126 55.842 58.000 -0.053 0.000 1.137 1189 F CB 0.331 39.276 39.000 -0.092 0.000 1.214 1189 F HN -0.208 nan 8.300 nan 0.000 0.536 1190 V N 2.837 122.589 119.914 -0.269 0.000 2.432 1190 V HA 0.321 4.441 4.120 0.000 0.000 0.275 1190 V C -0.075 175.864 176.094 -0.258 0.000 1.043 1190 V CA -0.976 61.037 62.300 -0.479 0.000 0.925 1190 V CB 0.840 32.270 31.823 -0.656 0.000 0.985 1190 V HN 0.723 nan 8.190 nan 0.000 0.466 1191 K N 2.428 122.685 120.400 -0.238 0.000 2.138 1191 K HA 0.458 4.778 4.320 0.000 0.000 0.263 1191 K C 0.220 176.743 176.600 -0.129 0.000 0.965 1191 K CA -0.302 55.878 56.287 -0.179 0.000 0.868 1191 K CB 1.574 33.956 32.500 -0.197 0.000 1.083 1191 K HN 0.655 nan 8.250 nan 0.000 0.443 1192 S N 1.062 116.716 115.700 -0.076 0.000 2.546 1192 S HA 0.216 4.686 4.470 0.000 0.000 0.290 1192 S C 1.164 175.702 174.600 -0.104 0.000 1.290 1192 S CA 1.298 59.454 58.200 -0.073 0.000 1.069 1192 S CB -0.259 62.927 63.200 -0.023 0.000 0.846 1192 S HN 0.858 nan 8.310 nan 0.000 0.495 1193 G N 3.939 112.647 108.800 -0.154 0.000 2.213 1193 G HA2 -0.192 3.768 3.960 0.000 0.000 0.236 1193 G HA3 -0.192 3.768 3.960 0.000 0.000 0.236 1193 G C -0.256 174.377 174.900 -0.446 0.000 0.991 1193 G CA 0.074 45.021 45.100 -0.254 0.000 0.629 1193 G HN 0.716 nan 8.290 nan 0.000 0.517 1194 D N 0.530 120.758 120.400 -0.288 0.000 2.424 1194 D HA 0.491 5.131 4.640 0.000 0.000 0.244 1194 D C 0.331 176.466 176.300 -0.276 0.000 1.134 1194 D CA 0.205 54.075 54.000 -0.216 0.000 0.881 1194 D CB 0.223 41.013 40.800 -0.017 0.000 1.191 1194 D HN 0.069 nan 8.370 nan 0.000 0.445 1195 F N 2.285 122.273 119.950 0.063 0.000 2.394 1195 F HA 0.411 4.938 4.527 0.000 0.000 0.340 1195 F C 0.853 176.744 175.800 0.152 0.000 1.105 1195 F CA -0.730 57.282 58.000 0.021 0.000 1.124 1195 F CB 0.447 39.390 39.000 -0.095 0.000 1.145 1195 F HN 0.171 nan 8.300 nan 0.000 0.505 1196 I N -0.823 119.942 120.570 0.325 0.000 3.264 1196 I HA 0.644 4.814 4.170 0.000 0.000 0.315 1196 I C -1.566 174.763 176.117 0.353 0.000 1.154 1196 I CA -1.257 60.265 61.300 0.370 0.000 0.962 1196 I CB 2.739 40.930 38.000 0.319 0.000 1.265 1196 I HN 0.320 nan 8.210 nan 0.000 0.463 1197 K N 2.164 122.794 120.400 0.384 0.000 2.376 1197 K HA 0.578 4.898 4.320 0.000 0.000 0.257 1197 K C -1.600 175.166 176.600 0.277 0.000 0.939 1197 K CA -0.698 55.770 56.287 0.302 0.000 0.809 1197 K CB 2.495 35.219 32.500 0.374 0.000 1.121 1197 K HN 0.492 nan 8.250 nan 0.000 0.425 1198 L N 4.047 125.347 121.223 0.129 0.000 2.282 1198 L HA 0.444 4.785 4.340 0.000 0.000 0.288 1198 L C -1.574 175.343 176.870 0.077 0.000 1.033 1198 L CA -0.159 54.807 54.840 0.211 0.000 0.807 1198 L CB 0.429 42.605 42.059 0.194 0.000 1.209 1198 L HN 0.464 nan 8.230 nan 0.000 0.423 1199 Y N 3.084 123.523 120.300 0.231 0.000 2.524 1199 Y HA 0.646 5.197 4.550 0.000 0.000 0.344 1199 Y C -0.342 175.612 175.900 0.090 0.000 1.012 1199 Y CA -0.884 57.311 58.100 0.157 0.000 1.068 1199 Y CB 2.140 40.667 38.460 0.111 0.000 1.249 1199 Y HN 0.231 nan 8.280 nan 0.000 0.468 1200 V N 1.594 121.601 119.914 0.154 0.000 2.398 1200 V HA 0.305 4.425 4.120 0.000 0.000 0.286 1200 V C -0.243 175.894 176.094 0.072 0.000 1.026 1200 V CA -0.685 61.539 62.300 -0.126 0.000 0.868 1200 V CB 1.642 33.321 31.823 -0.239 0.000 0.982 1200 V HN 0.769 nan 8.190 nan 0.000 0.443 1201 S N 5.380 121.080 115.700 -0.000 0.000 2.464 1201 S HA 0.449 4.919 4.470 0.000 0.000 0.313 1201 S C -1.018 173.650 174.600 0.113 0.000 1.078 1201 S CA -0.310 57.922 58.200 0.053 0.000 1.096 1201 S CB -0.310 62.881 63.200 -0.016 0.000 1.032 1201 S HN 0.603 nan 8.310 nan 0.000 0.498 1202 Y N 4.652 124.991 120.300 0.065 0.000 2.328 1202 Y HA 0.330 4.880 4.550 0.000 0.000 0.336 1202 Y C 0.328 176.276 175.900 0.079 0.000 0.960 1202 Y CA -0.500 57.633 58.100 0.055 0.000 1.134 1202 Y CB 0.732 39.217 38.460 0.041 0.000 1.166 1202 Y HN 0.830 nan 8.280 nan 0.000 0.464 1203 N N 4.638 123.113 118.700 -0.375 0.000 2.714 1203 N HA -0.379 4.362 4.740 0.000 0.000 0.252 1203 N C 0.298 175.765 175.510 -0.072 0.000 1.014 1203 N CA 1.492 54.389 53.050 -0.256 0.000 0.735 1203 N CB -1.092 37.224 38.487 -0.284 0.000 0.924 1203 N HN 0.906 nan 8.380 nan 0.000 0.540 1204 N N -2.891 115.778 118.700 -0.051 0.000 2.972 1204 N HA -0.258 4.482 4.740 0.000 0.000 0.225 1204 N C -1.199 174.298 175.510 -0.021 0.000 0.883 1204 N CA 0.945 53.976 53.050 -0.032 0.000 1.010 1204 N CB -0.420 38.046 38.487 -0.035 0.000 1.052 1204 N HN 0.417 nan 8.380 nan 0.000 0.598 1205 N N 1.366 120.077 118.700 0.017 0.000 2.456 1205 N HA 0.255 4.995 4.740 0.000 0.000 0.296 1205 N C -0.995 174.434 175.510 -0.134 0.000 1.102 1205 N CA 0.063 53.072 53.050 -0.068 0.000 0.924 1205 N CB 1.191 39.648 38.487 -0.050 0.000 1.186 1205 N HN 0.201 nan 8.380 nan 0.000 0.492 1206 E N 0.800 120.844 120.200 -0.259 0.000 2.166 1206 E HA 0.315 4.665 4.350 0.000 0.000 0.275 1206 E C -0.979 175.486 176.600 -0.225 0.000 0.941 1206 E CA -0.506 55.813 56.400 -0.134 0.000 0.784 1206 E CB 1.023 30.640 29.700 -0.138 0.000 1.115 1206 E HN 0.466 nan 8.360 nan 0.000 0.399 1207 H N 1.157 120.375 119.070 0.248 0.000 2.609 1207 H HA 0.283 4.839 4.556 0.000 0.000 0.344 1207 H C -0.591 174.829 175.328 0.153 0.000 1.040 1207 H CA -0.856 55.311 56.048 0.199 0.000 1.216 1207 H CB 1.184 30.994 29.762 0.081 0.000 1.529 1207 H HN 0.409 nan 8.280 nan 0.000 0.519 1208 I N 3.009 123.637 120.570 0.097 0.000 2.692 1208 I HA 0.056 4.226 4.170 0.000 0.000 0.284 1208 I C -0.545 175.525 176.117 -0.078 0.000 1.159 1208 I CA 0.175 61.279 61.300 -0.326 0.000 1.423 1208 I CB 0.373 38.172 38.000 -0.335 0.000 1.380 1208 I HN 0.374 nan 8.210 nan 0.000 0.580 1209 V N 7.588 127.451 119.914 -0.085 0.000 2.427 1209 V HA 0.881 5.001 4.120 0.000 0.000 0.286 1209 V C 0.533 176.656 176.094 0.048 0.000 1.034 1209 V CA 0.287 62.610 62.300 0.039 0.000 0.893 1209 V CB 0.441 32.327 31.823 0.106 0.000 0.982 1209 V HN 1.026 nan 8.190 nan 0.000 0.452 1210 G N 3.080 111.929 108.800 0.081 0.000 2.548 1210 G HA2 0.481 4.441 3.960 0.000 0.000 0.301 1210 G HA3 0.481 4.441 3.960 0.000 0.000 0.301 1210 G C -2.352 172.632 174.900 0.140 0.000 1.349 1210 G CA -0.528 44.638 45.100 0.109 0.000 0.792 1210 G HN 0.492 nan 8.290 nan 0.000 0.481 1211 Y N 2.155 122.466 120.300 0.018 0.000 2.326 1211 Y HA 0.645 5.196 4.550 0.000 0.000 0.331 1211 Y C -2.366 173.457 175.900 -0.128 0.000 0.962 1211 Y CA -2.818 55.266 58.100 -0.026 0.000 1.167 1211 Y CB 2.509 41.018 38.460 0.081 0.000 1.148 1211 Y HN 0.400 nan 8.280 nan 0.000 0.463 1212 P HA 0.097 nan 4.420 nan 0.000 0.275 1212 P C -0.986 175.702 177.300 -1.021 0.000 1.228 1212 P CA -0.427 62.085 63.100 -0.980 0.000 0.786 1212 P CB 1.319 32.184 31.700 -1.392 0.000 0.927 1213 K N 2.508 122.498 120.400 -0.683 0.000 2.472 1213 K HA -0.086 4.234 4.320 0.000 0.000 0.280 1213 K C 0.143 176.584 176.600 -0.264 0.000 1.028 1213 K CA 0.490 56.582 56.287 -0.324 0.000 1.045 1213 K CB -0.468 31.918 32.500 -0.191 0.000 0.902 1213 K HN 0.431 nan 8.250 nan 0.000 0.478 1214 D N 1.444 121.772 120.400 -0.119 0.000 3.076 1214 D HA -0.143 4.498 4.640 0.000 0.000 0.218 1214 D C 0.278 176.523 176.300 -0.091 0.000 1.156 1214 D CA 1.369 55.347 54.000 -0.037 0.000 0.921 1214 D CB -1.404 39.383 40.800 -0.021 0.000 1.113 1214 D HN 0.800 nan 8.370 nan 0.000 0.418 1215 G N 0.364 108.966 108.800 -0.331 0.000 2.614 1215 G HA2 0.157 4.117 3.960 0.000 0.000 0.239 1215 G HA3 0.157 4.117 3.960 0.000 0.000 0.239 1215 G C 0.434 175.397 174.900 0.104 0.000 1.240 1215 G CA -0.141 44.820 45.100 -0.231 0.000 0.842 1215 G HN 0.169 nan 8.290 nan 0.000 0.584 1216 N N -0.042 118.676 118.700 0.029 0.000 2.357 1216 N HA 0.335 5.075 4.740 0.000 0.000 0.257 1216 N C -0.137 175.343 175.510 -0.050 0.000 1.250 1216 N CA 0.804 53.829 53.050 -0.043 0.000 0.862 1216 N CB 0.660 39.072 38.487 -0.125 0.000 1.066 1216 N HN 0.773 nan 8.380 nan 0.000 0.468 1217 A N 3.248 125.978 122.820 -0.150 0.000 2.520 1217 A HA 0.520 4.840 4.320 0.000 0.000 0.298 1217 A C -1.129 176.289 177.584 -0.276 0.000 1.051 1217 A CA -0.708 51.206 52.037 -0.206 0.000 0.690 1217 A CB 0.447 19.389 19.000 -0.095 0.000 1.281 1217 A HN 0.497 nan 8.150 nan 0.000 0.402 1218 F N 2.240 122.095 119.950 -0.159 0.000 2.533 1218 F HA 0.213 4.740 4.527 0.000 0.000 0.378 1218 F C 1.460 177.143 175.800 -0.195 0.000 1.070 1218 F CA 1.093 58.971 58.000 -0.204 0.000 1.172 1218 F CB 0.224 38.972 39.000 -0.420 0.000 1.085 1218 F HN 0.823 nan 8.300 nan 0.000 0.552 1219 N N 2.671 121.393 118.700 0.037 0.000 2.696 1219 N HA -0.347 4.393 4.740 0.000 0.000 0.249 1219 N C 0.159 175.661 175.510 -0.015 0.000 1.090 1219 N CA 1.146 54.200 53.050 0.007 0.000 0.716 1219 N CB -1.268 37.221 38.487 0.004 0.000 1.020 1219 N HN 0.747 nan 8.380 nan 0.000 0.548 1220 N N -2.363 116.322 118.700 -0.025 0.000 2.765 1220 N HA -0.241 4.499 4.740 0.000 0.000 0.248 1220 N C 0.547 176.037 175.510 -0.033 0.000 1.063 1220 N CA 1.652 54.689 53.050 -0.020 0.000 0.862 1220 N CB -1.091 37.396 38.487 0.001 0.000 1.145 1220 N HN 0.598 nan 8.380 nan 0.000 0.581 1221 L N -1.280 119.911 121.223 -0.053 0.000 2.547 1221 L HA 0.166 4.506 4.340 0.000 0.000 0.218 1221 L C -0.161 176.655 176.870 -0.090 0.000 1.048 1221 L CA 0.216 55.023 54.840 -0.056 0.000 0.859 1221 L CB 0.214 42.252 42.059 -0.036 0.000 1.128 1221 L HN 0.030 nan 8.230 nan 0.000 0.483 1222 D N 1.925 122.256 120.400 -0.115 0.000 2.479 1222 D HA 0.201 4.842 4.640 0.000 0.000 0.218 1222 D C -0.210 176.035 176.300 -0.091 0.000 1.131 1222 D CA -0.235 53.707 54.000 -0.097 0.000 0.916 1222 D CB 0.748 41.440 40.800 -0.181 0.000 1.022 1222 D HN -0.080 nan 8.370 nan 0.000 0.515 1223 R N 1.389 121.747 120.500 -0.238 0.000 2.421 1223 R HA 0.193 4.533 4.340 0.000 0.000 0.305 1223 R C 0.401 176.587 176.300 -0.190 0.000 1.039 1223 R CA 0.022 55.823 56.100 -0.499 0.000 1.003 1223 R CB 0.338 29.911 30.300 -1.212 0.000 0.959 1223 R HN 0.375 nan 8.270 nan 0.000 0.427 1224 I N 4.979 125.521 120.570 -0.046 0.000 2.436 1224 I HA 0.006 4.176 4.170 0.000 0.000 0.289 1224 I C 0.427 176.659 176.117 0.192 0.000 1.083 1224 I CA -0.001 61.351 61.300 0.087 0.000 1.372 1224 I CB 0.301 38.294 38.000 -0.012 0.000 1.408 1224 I HN 0.332 nan 8.210 nan 0.000 0.516 1225 L N 7.281 128.618 121.223 0.191 0.000 2.461 1225 L HA 0.273 4.613 4.340 0.000 0.000 0.272 1225 L C 0.329 177.315 176.870 0.194 0.000 1.197 1225 L CA -0.190 54.767 54.840 0.195 0.000 0.836 1225 L CB 0.067 42.224 42.059 0.164 0.000 1.105 1225 L HN 0.550 nan 8.230 nan 0.000 0.477 1226 R N 1.923 122.512 120.500 0.148 0.000 2.750 1226 R HA 0.572 4.912 4.340 0.000 0.000 0.281 1226 R C -1.250 175.117 176.300 0.112 0.000 0.972 1226 R CA -0.844 55.337 56.100 0.135 0.000 0.912 1226 R CB 2.100 32.456 30.300 0.093 0.000 1.187 1226 R HN 0.270 nan 8.270 nan 0.000 0.464 1227 V N 1.138 121.100 119.914 0.080 0.000 2.334 1227 V HA 0.397 4.517 4.120 0.000 0.000 0.281 1227 V C 0.987 177.099 176.094 0.030 0.000 1.016 1227 V CA -0.016 62.304 62.300 0.032 0.000 0.832 1227 V CB 1.181 32.960 31.823 -0.074 0.000 0.999 1227 V HN 1.026 nan 8.190 nan 0.000 0.439 1228 G N 4.019 112.894 108.800 0.126 0.000 2.198 1228 G HA2 -0.318 3.642 3.960 0.000 0.000 0.257 1228 G HA3 -0.318 3.642 3.960 0.000 0.000 0.257 1228 G C -0.125 174.860 174.900 0.141 0.000 1.042 1228 G CA 0.270 45.478 45.100 0.180 0.000 0.791 1228 G HN 0.930 nan 8.290 nan 0.000 0.502 1229 Y N 1.361 121.672 120.300 0.019 0.000 2.526 1229 Y HA 0.392 4.942 4.550 0.000 0.000 0.330 1229 Y C 0.950 176.849 175.900 -0.002 0.000 1.156 1229 Y CA 0.489 58.587 58.100 -0.003 0.000 1.419 1229 Y CB 0.731 39.178 38.460 -0.020 0.000 1.250 1229 Y HN 0.338 nan 8.280 nan 0.000 0.540 1230 N N 2.973 121.463 118.700 -0.349 0.000 2.471 1230 N HA 0.253 4.993 4.740 0.000 0.000 0.270 1230 N C -1.086 174.240 175.510 -0.305 0.000 1.490 1230 N CA -0.114 52.815 53.050 -0.201 0.000 0.850 1230 N CB -0.025 38.411 38.487 -0.085 0.000 1.411 1230 N HN 0.568 nan 8.380 nan 0.000 0.488 1231 A N 1.877 124.333 122.820 -0.606 0.000 2.524 1231 A HA 0.368 4.688 4.320 0.000 0.000 0.250 1231 A C -1.836 175.669 177.584 -0.133 0.000 1.078 1231 A CA -0.683 51.137 52.037 -0.362 0.000 0.761 1231 A CB -0.200 18.570 19.000 -0.382 0.000 1.012 1231 A HN 0.332 nan 8.150 nan 0.000 0.500 1232 P HA 0.205 nan 4.420 nan 0.000 0.268 1232 P C 0.854 178.139 177.300 -0.025 0.000 1.205 1232 P CA 1.220 64.293 63.100 -0.045 0.000 0.771 1232 P CB 0.848 32.524 31.700 -0.041 0.000 0.858 1233 G N 2.525 111.316 108.800 -0.015 0.000 2.168 1233 G HA2 -0.242 3.718 3.960 0.000 0.000 0.263 1233 G HA3 -0.242 3.718 3.960 0.000 0.000 0.263 1233 G C 0.068 174.963 174.900 -0.008 0.000 0.977 1233 G CA -0.010 45.085 45.100 -0.009 0.000 0.659 1233 G HN 0.562 nan 8.290 nan 0.000 0.533 1234 I N 2.561 123.133 120.570 0.003 0.000 2.382 1234 I HA 0.279 4.449 4.170 0.000 0.000 0.285 1234 I C -1.740 174.345 176.117 -0.052 0.000 1.007 1234 I CA -2.235 59.063 61.300 -0.002 0.000 1.142 1234 I CB 1.742 39.794 38.000 0.087 0.000 1.289 1234 I HN -0.089 nan 8.210 nan 0.000 0.453 1235 P HA 0.042 nan 4.420 nan 0.000 0.266 1235 P C -0.927 176.095 177.300 -0.463 0.000 1.195 1235 P CA -0.288 62.659 63.100 -0.256 0.000 0.768 1235 P CB 1.450 32.989 31.700 -0.269 0.000 0.838 1236 L N 4.507 125.516 121.223 -0.356 0.000 2.316 1236 L HA 0.359 4.699 4.340 0.000 0.000 0.280 1236 L C -1.028 175.701 176.870 -0.236 0.000 1.006 1236 L CA -0.894 53.747 54.840 -0.332 0.000 0.836 1236 L CB 0.376 42.391 42.059 -0.073 0.000 1.221 1236 L HN 0.136 nan 8.230 nan 0.000 0.418 1237 Y N 4.780 125.087 120.300 0.012 0.000 2.436 1237 Y HA 0.288 4.838 4.550 0.000 0.000 0.336 1237 Y C 1.068 177.021 175.900 0.088 0.000 1.049 1237 Y CA -0.330 57.815 58.100 0.074 0.000 1.294 1237 Y CB 0.626 39.155 38.460 0.115 0.000 1.179 1237 Y HN 0.643 nan 8.280 nan 0.000 0.520 1238 K N 0.882 121.425 120.400 0.238 0.000 2.554 1238 K HA 0.156 4.476 4.320 0.000 0.000 0.211 1238 K C 0.073 176.767 176.600 0.158 0.000 1.226 1238 K CA -0.550 55.837 56.287 0.167 0.000 1.025 1238 K CB 0.492 33.059 32.500 0.112 0.000 1.021 1238 K HN 0.350 nan 8.250 nan 0.000 0.600 1239 K N 2.323 122.794 120.400 0.118 0.000 2.383 1239 K HA 0.165 4.485 4.320 0.000 0.000 0.286 1239 K C -0.722 175.919 176.600 0.067 0.000 1.051 1239 K CA 0.055 56.254 56.287 -0.147 0.000 0.974 1239 K CB 0.488 32.696 32.500 -0.485 0.000 0.968 1239 K HN 0.134 nan 8.250 nan 0.000 0.475 1240 M N 2.842 122.505 119.600 0.104 0.000 2.716 1240 M HA 0.276 4.757 4.480 0.000 0.000 0.307 1240 M C -0.848 175.652 176.300 0.332 0.000 1.223 1240 M CA -0.818 54.634 55.300 0.253 0.000 0.871 1240 M CB 2.218 34.924 32.600 0.177 0.000 1.739 1240 M HN 0.610 nan 8.290 nan 0.000 0.475 1241 E N 0.977 121.376 120.200 0.331 0.000 2.218 1241 E HA 0.594 4.944 4.350 0.000 0.000 0.263 1241 E C -1.542 175.090 176.600 0.053 0.000 0.879 1241 E CA -0.590 55.905 56.400 0.158 0.000 0.762 1241 E CB 1.738 31.579 29.700 0.235 0.000 1.166 1241 E HN 0.768 nan 8.360 nan 0.000 0.415 1242 A N 4.014 126.812 122.820 -0.036 0.000 2.354 1242 A HA 0.513 4.834 4.320 0.000 0.000 0.281 1242 A C -0.090 177.443 177.584 -0.085 0.000 1.174 1242 A CA -0.303 51.689 52.037 -0.075 0.000 0.828 1242 A CB 0.171 19.080 19.000 -0.151 0.000 1.099 1242 A HN 0.530 nan 8.150 nan 0.000 0.516 1243 V N -0.133 119.753 119.914 -0.046 0.000 3.160 1243 V HA 0.905 5.025 4.120 0.000 0.000 0.310 1243 V C -0.698 175.386 176.094 -0.017 0.000 1.181 1243 V CA -1.127 61.157 62.300 -0.027 0.000 1.047 1243 V CB 2.129 33.964 31.823 0.019 0.000 1.068 1243 V HN 0.703 nan 8.190 nan 0.000 0.441 1244 K N 1.623 122.021 120.400 -0.004 0.000 2.592 1244 K HA 0.611 4.931 4.320 0.000 0.000 0.212 1244 K C -0.530 176.077 176.600 0.013 0.000 1.013 1244 K CA -0.355 55.934 56.287 0.004 0.000 1.034 1244 K CB 0.639 33.143 32.500 0.008 0.000 1.292 1244 K HN 0.636 nan 8.250 nan 0.000 0.521 1245 L N 2.382 123.615 121.223 0.016 0.000 2.529 1245 L HA 0.325 4.665 4.340 0.000 0.000 0.223 1245 L C 0.279 177.156 176.870 0.012 0.000 1.113 1245 L CA 0.691 55.547 54.840 0.027 0.000 0.861 1245 L CB -0.593 41.497 42.059 0.051 0.000 1.012 1245 L HN 0.631 nan 8.230 nan 0.000 0.461 1246 R N -3.373 117.125 120.500 -0.002 0.000 2.728 1246 R HA 0.353 4.693 4.340 0.000 0.000 0.274 1246 R C -1.137 175.155 176.300 -0.013 0.000 1.030 1246 R CA -0.949 55.145 56.100 -0.009 0.000 0.876 1246 R CB 0.355 30.646 30.300 -0.015 0.000 1.259 1246 R HN -0.213 nan 8.270 nan 0.000 0.468 1247 D N 0.361 120.753 120.400 -0.013 0.000 2.927 1247 D HA -0.134 4.506 4.640 0.000 0.000 0.236 1247 D C 0.376 176.671 176.300 -0.008 0.000 1.163 1247 D CA 0.627 54.620 54.000 -0.013 0.000 0.801 1247 D CB -0.055 40.731 40.800 -0.024 0.000 0.975 1247 D HN 0.609 nan 8.370 nan 0.000 0.413 1248 L N 1.967 123.181 121.223 -0.014 0.000 2.081 1248 L HA -0.144 4.196 4.340 0.000 0.000 0.212 1248 L C 2.102 178.956 176.870 -0.027 0.000 1.080 1248 L CA 1.993 56.820 54.840 -0.021 0.000 0.754 1248 L CB -0.141 41.891 42.059 -0.046 0.000 0.893 1248 L HN 0.277 nan 8.230 nan 0.000 0.433 1249 K N -1.277 119.102 120.400 -0.034 0.000 2.366 1249 K HA 0.050 4.371 4.320 0.000 0.000 0.198 1249 K C 0.347 176.887 176.600 -0.100 0.000 1.044 1249 K CA 0.554 56.822 56.287 -0.031 0.000 0.973 1249 K CB -0.164 32.374 32.500 0.063 0.000 0.767 1249 K HN 0.312 nan 8.250 nan 0.000 0.475 1250 T N 1.022 115.534 114.554 -0.070 0.000 2.845 1250 T HA 0.161 4.511 4.350 0.000 0.000 0.288 1250 T C -0.432 174.272 174.700 0.006 0.000 0.980 1250 T CA -0.438 61.609 62.100 -0.088 0.000 1.071 1250 T CB 0.454 69.324 68.868 0.004 0.000 0.941 1250 T HN -0.005 nan 8.240 nan 0.000 0.487 1251 Y N 3.005 123.418 120.300 0.187 0.000 2.724 1251 Y HA 0.324 4.874 4.550 0.000 0.000 0.354 1251 Y C 1.325 177.379 175.900 0.257 0.000 1.270 1251 Y CA -1.076 57.128 58.100 0.173 0.000 1.902 1251 Y CB -1.194 37.338 38.460 0.121 0.000 1.981 1251 Y HN 0.561 nan 8.280 nan 0.000 0.428 1252 S N -0.876 114.975 115.700 0.252 0.000 2.671 1252 S HA 0.950 5.421 4.470 0.000 0.000 0.299 1252 S C -0.788 173.875 174.600 0.105 0.000 1.116 1252 S CA -0.810 57.477 58.200 0.145 0.000 0.912 1252 S CB 2.318 65.463 63.200 -0.093 0.000 1.130 1252 S HN -0.010 nan 8.310 nan 0.000 0.501 1253 V N 0.751 120.743 119.914 0.130 0.000 3.078 1253 V HA 0.603 4.723 4.120 0.000 0.000 0.311 1253 V C -1.228 174.952 176.094 0.144 0.000 1.138 1253 V CA -0.829 61.512 62.300 0.069 0.000 1.007 1253 V CB 2.104 33.871 31.823 -0.092 0.000 1.045 1253 V HN 0.934 nan 8.190 nan 0.000 0.432 1254 Q N 1.702 121.546 119.800 0.073 0.000 2.348 1254 Q HA 0.822 5.162 4.340 0.000 0.000 0.271 1254 Q C -1.417 174.626 176.000 0.072 0.000 1.067 1254 Q CA -0.375 55.479 55.803 0.086 0.000 0.839 1254 Q CB 2.463 31.197 28.738 -0.006 0.000 1.354 1254 Q HN 0.609 nan 8.270 nan 0.000 0.447 1255 L N 1.067 122.337 121.223 0.078 0.000 2.409 1255 L HA 0.567 4.908 4.340 0.000 0.000 0.272 1255 L C -0.734 176.174 176.870 0.063 0.000 0.980 1255 L CA -0.744 54.133 54.840 0.061 0.000 0.826 1255 L CB 1.968 44.046 42.059 0.033 0.000 1.268 1255 L HN 0.387 nan 8.230 nan 0.000 0.407 1256 K N 3.381 123.842 120.400 0.102 0.000 2.265 1256 K HA 0.531 4.852 4.320 0.000 0.000 0.267 1256 K C -1.294 175.360 176.600 0.090 0.000 0.994 1256 K CA -0.726 55.616 56.287 0.091 0.000 0.860 1256 K CB 1.665 34.244 32.500 0.132 0.000 1.099 1256 K HN 0.380 nan 8.250 nan 0.000 0.448 1257 L N 5.015 126.250 121.223 0.019 0.000 2.307 1257 L HA 0.426 4.766 4.340 0.000 0.000 0.282 1257 L C -1.595 175.231 176.870 -0.072 0.000 1.051 1257 L CA -0.114 54.769 54.840 0.071 0.000 0.804 1257 L CB 0.607 42.721 42.059 0.092 0.000 1.197 1257 L HN 0.556 nan 8.230 nan 0.000 0.431 1258 Y N 1.746 122.071 120.300 0.041 0.000 2.549 1258 Y HA 0.479 5.029 4.550 0.000 0.000 0.339 1258 Y C -0.021 175.825 175.900 -0.090 0.000 1.053 1258 Y CA -0.900 57.183 58.100 -0.029 0.000 1.105 1258 Y CB 1.358 39.777 38.460 -0.069 0.000 1.258 1258 Y HN 0.745 nan 8.280 nan 0.000 0.478 1259 D N -1.144 119.200 120.400 -0.093 0.000 2.539 1259 D HA 0.088 4.728 4.640 0.000 0.000 0.280 1259 D C 0.358 176.532 176.300 -0.211 0.000 1.208 1259 D CA -0.457 53.194 54.000 -0.582 0.000 1.088 1259 D CB 0.216 40.462 40.800 -0.923 0.000 1.149 1259 D HN 0.552 nan 8.370 nan 0.000 0.596 1260 D N -1.351 118.948 120.400 -0.167 0.000 2.348 1260 D HA -0.100 4.540 4.640 0.000 0.000 0.216 1260 D C 0.714 177.024 176.300 0.016 0.000 0.970 1260 D CA 0.766 54.824 54.000 0.096 0.000 0.889 1260 D CB -0.289 40.670 40.800 0.264 0.000 0.912 1260 D HN 0.276 nan 8.370 nan 0.000 0.524 1261 K N -0.212 120.164 120.400 -0.041 0.000 2.410 1261 K HA 0.186 4.506 4.320 0.000 0.000 0.200 1261 K C 0.050 176.641 176.600 -0.014 0.000 1.023 1261 K CA -0.213 56.061 56.287 -0.021 0.000 1.149 1261 K CB 0.098 32.582 32.500 -0.025 0.000 0.859 1261 K HN -0.133 nan 8.250 nan 0.000 0.514 1262 N N -0.364 118.333 118.700 -0.004 0.000 2.800 1262 N HA -0.186 4.554 4.740 0.000 0.000 0.250 1262 N C -0.671 174.964 175.510 0.209 0.000 1.078 1262 N CA 1.055 54.136 53.050 0.051 0.000 0.804 1262 N CB -1.189 37.264 38.487 -0.057 0.000 1.135 1262 N HN 0.356 nan 8.380 nan 0.000 0.565 1263 A N 0.226 123.101 122.820 0.092 0.000 2.316 1263 A HA 0.531 4.851 4.320 0.000 0.000 0.284 1263 A C 0.699 178.267 177.584 -0.026 0.000 1.115 1263 A CA 0.090 52.147 52.037 0.032 0.000 0.812 1263 A CB 0.928 19.908 19.000 -0.034 0.000 1.064 1263 A HN 0.229 nan 8.150 nan 0.000 0.489 1264 S N 0.843 116.464 115.700 -0.133 0.000 2.531 1264 S HA 0.285 4.755 4.470 0.000 0.000 0.279 1264 S C 0.684 175.201 174.600 -0.137 0.000 1.305 1264 S CA -0.423 57.609 58.200 -0.280 0.000 1.058 1264 S CB -0.205 62.837 63.200 -0.264 0.000 0.899 1264 S HN 0.548 nan 8.310 nan 0.000 0.493 1265 L N 4.668 125.814 121.223 -0.130 0.000 2.616 1265 L HA 0.397 4.737 4.340 0.000 0.000 0.229 1265 L C 1.205 178.076 176.870 0.001 0.000 1.110 1265 L CA 0.349 55.154 54.840 -0.058 0.000 0.884 1265 L CB -0.433 41.605 42.059 -0.035 0.000 1.115 1265 L HN 0.981 nan 8.230 nan 0.000 0.481 1266 G N 0.119 108.959 108.800 0.067 0.000 2.423 1266 G HA2 -0.069 3.891 3.960 0.000 0.000 0.684 1266 G HA3 -0.069 3.891 3.960 0.000 0.000 0.684 1266 G C -1.113 173.866 174.900 0.132 0.000 1.309 1266 G CA -1.029 44.184 45.100 0.188 0.000 0.950 1266 G HN -0.085 nan 8.290 nan 0.000 0.587 1267 L N 0.005 121.281 121.223 0.089 0.000 2.357 1267 L HA 0.542 4.882 4.340 0.000 0.000 0.273 1267 L C 1.041 177.957 176.870 0.075 0.000 1.080 1267 L CA -1.146 53.686 54.840 -0.013 0.000 0.803 1267 L CB 1.491 43.397 42.059 -0.256 0.000 1.174 1267 L HN 0.463 nan 8.230 nan 0.000 0.443 1268 V N 2.177 122.132 119.914 0.068 0.000 2.572 1268 V HA 0.470 4.590 4.120 0.000 0.000 0.291 1268 V C 0.751 177.005 176.094 0.266 0.000 1.039 1268 V CA 0.553 62.941 62.300 0.148 0.000 1.055 1268 V CB 0.587 32.427 31.823 0.028 0.000 0.969 1268 V HN 1.021 nan 8.190 nan 0.000 0.482 1269 G N 3.756 112.753 108.800 0.328 0.000 2.793 1269 G HA2 0.765 4.725 3.960 0.000 0.000 0.248 1269 G HA3 0.765 4.725 3.960 0.000 0.000 0.248 1269 G C -0.598 174.529 174.900 0.379 0.000 1.198 1269 G CA 0.239 45.509 45.100 0.284 0.000 0.865 1269 G HN 0.827 nan 8.290 nan 0.000 0.534 1270 T N -2.997 111.723 114.554 0.277 0.000 2.900 1270 T HA 0.680 5.030 4.350 0.000 0.000 0.303 1270 T C -1.451 173.322 174.700 0.121 0.000 1.142 1270 T CA -0.580 61.646 62.100 0.210 0.000 1.007 1270 T CB 2.281 71.235 68.868 0.144 0.000 1.156 1270 T HN 0.897 nan 8.240 nan 0.000 0.490 1271 H N 1.068 120.099 119.070 -0.066 0.000 2.679 1271 H HA 0.509 5.065 4.556 0.000 0.000 0.360 1271 H C -0.641 174.455 175.328 -0.387 0.000 1.105 1271 H CA -0.576 55.291 56.048 -0.302 0.000 1.196 1271 H CB 1.598 31.090 29.762 -0.449 0.000 1.636 1271 H HN 0.739 nan 8.280 nan 0.000 0.531 1272 N N 3.141 121.317 118.700 -0.874 0.000 2.472 1272 N HA 0.466 5.206 4.740 0.000 0.000 0.277 1272 N C -0.244 174.860 175.510 -0.676 0.000 1.081 1272 N CA 0.891 53.590 53.050 -0.585 0.000 0.973 1272 N CB 1.042 39.267 38.487 -0.436 0.000 1.105 1272 N HN 0.955 nan 8.380 nan 0.000 0.470 1273 G N 1.651 110.238 108.800 -0.354 0.000 2.344 1273 G HA2 0.124 4.084 3.960 0.000 0.000 0.282 1273 G HA3 0.124 4.084 3.960 0.000 0.000 0.282 1273 G C -2.227 172.696 174.900 0.039 0.000 1.281 1273 G CA -0.520 44.474 45.100 -0.177 0.000 0.877 1273 G HN 0.620 nan 8.290 nan 0.000 0.494 1274 Q N -0.662 119.246 119.800 0.179 0.000 2.456 1274 Q HA 0.721 5.061 4.340 0.000 0.000 0.283 1274 Q C -1.392 174.653 176.000 0.075 0.000 1.084 1274 Q CA -0.911 54.954 55.803 0.104 0.000 0.801 1274 Q CB 2.458 31.219 28.738 0.039 0.000 1.434 1274 Q HN 0.695 nan 8.270 nan 0.000 0.419 1275 I N 1.350 121.891 120.570 -0.048 0.000 2.389 1275 I HA 0.521 4.691 4.170 0.000 0.000 0.288 1275 I C 0.921 177.021 176.117 -0.028 0.000 0.999 1275 I CA 0.082 61.313 61.300 -0.117 0.000 1.129 1275 I CB 1.360 39.175 38.000 -0.308 0.000 1.288 1275 I HN 1.035 nan 8.210 nan 0.000 0.444 1276 G N 6.206 114.994 108.800 -0.021 0.000 2.622 1276 G HA2 -0.327 3.633 3.960 0.000 0.000 0.307 1276 G HA3 -0.327 3.633 3.960 0.000 0.000 0.307 1276 G C 0.585 175.491 174.900 0.011 0.000 1.226 1276 G CA 0.360 45.462 45.100 0.003 0.000 0.997 1276 G HN 0.657 nan 8.290 nan 0.000 0.551 1277 N N 2.196 120.908 118.700 0.019 0.000 2.270 1277 N HA 0.128 4.868 4.740 0.000 0.000 0.198 1277 N C -0.152 175.369 175.510 0.018 0.000 1.117 1277 N CA 0.349 53.409 53.050 0.016 0.000 0.845 1277 N CB 0.107 38.603 38.487 0.015 0.000 0.980 1277 N HN 0.477 nan 8.380 nan 0.000 0.486 1278 D N 1.944 122.362 120.400 0.029 0.000 2.368 1278 D HA 0.150 4.790 4.640 0.000 0.000 0.240 1278 D C -1.971 174.332 176.300 0.004 0.000 1.169 1278 D CA -0.834 53.182 54.000 0.027 0.000 0.906 1278 D CB 0.222 41.071 40.800 0.082 0.000 1.187 1278 D HN 0.046 nan 8.370 nan 0.000 0.435 1279 P HA 0.011 nan 4.420 nan 0.000 0.270 1279 P C 0.143 177.427 177.300 -0.027 0.000 1.223 1279 P CA -0.446 62.639 63.100 -0.025 0.000 0.785 1279 P CB 0.435 32.113 31.700 -0.037 0.000 0.923 1280 N N 2.551 121.238 118.700 -0.022 0.000 2.412 1280 N HA -0.013 4.727 4.740 0.000 0.000 0.258 1280 N C -0.374 175.120 175.510 -0.027 0.000 1.236 1280 N CA 0.652 53.686 53.050 -0.025 0.000 0.882 1280 N CB 0.233 38.699 38.487 -0.035 0.000 1.066 1280 N HN 0.326 nan 8.380 nan 0.000 0.465 1281 R N 1.248 121.738 120.500 -0.017 0.000 2.764 1281 R HA 0.266 4.606 4.340 0.000 0.000 0.270 1281 R C -1.429 174.891 176.300 0.034 0.000 1.014 1281 R CA -0.797 55.319 56.100 0.026 0.000 0.904 1281 R CB 1.262 31.585 30.300 0.037 0.000 1.236 1281 R HN 0.503 nan 8.270 nan 0.000 0.466 1282 D N 2.320 122.778 120.400 0.097 0.000 2.456 1282 D HA 0.248 4.888 4.640 0.000 0.000 0.219 1282 D C -0.262 176.165 176.300 0.211 0.000 1.126 1282 D CA 0.079 54.122 54.000 0.071 0.000 0.890 1282 D CB 0.698 41.531 40.800 0.055 0.000 1.025 1282 D HN 0.260 nan 8.370 nan 0.000 0.511 1283 I N 2.323 123.020 120.570 0.212 0.000 2.396 1283 I HA 0.085 4.255 4.170 0.000 0.000 0.292 1283 I C 0.768 177.084 176.117 0.332 0.000 0.999 1283 I CA -0.745 60.763 61.300 0.347 0.000 1.310 1283 I CB 1.402 39.602 38.000 0.334 0.000 1.404 1283 I HN 0.067 nan 8.210 nan 0.000 0.496 1284 L N 6.971 128.408 121.223 0.357 0.000 2.513 1284 L HA 0.174 4.514 4.340 0.000 0.000 0.272 1284 L C -0.061 176.972 176.870 0.271 0.000 1.187 1284 L CA 0.627 55.651 54.840 0.307 0.000 0.895 1284 L CB -0.073 42.133 42.059 0.245 0.000 1.147 1284 L HN 0.548 nan 8.230 nan 0.000 0.483 1285 I N 0.942 121.663 120.570 0.252 0.000 3.354 1285 I HA 0.870 5.040 4.170 0.000 0.000 0.316 1285 I C -0.642 175.577 176.117 0.169 0.000 1.182 1285 I CA -0.985 60.431 61.300 0.194 0.000 0.942 1285 I CB 1.978 40.101 38.000 0.206 0.000 1.299 1285 I HN 0.422 nan 8.210 nan 0.000 0.473 1286 A N 1.101 123.975 122.820 0.089 0.000 2.343 1286 A HA 0.901 5.221 4.320 0.000 0.000 0.308 1286 A C -0.657 176.972 177.584 0.075 0.000 1.092 1286 A CA -0.351 51.738 52.037 0.087 0.000 0.751 1286 A CB 1.153 20.160 19.000 0.013 0.000 1.203 1286 A HN 1.007 nan 8.150 nan 0.000 0.452 1287 S N 1.258 117.067 115.700 0.182 0.000 2.533 1287 S HA 0.358 4.828 4.470 0.000 0.000 0.271 1287 S C -0.199 174.538 174.600 0.227 0.000 1.143 1287 S CA -0.668 57.618 58.200 0.144 0.000 0.891 1287 S CB 1.108 64.345 63.200 0.061 0.000 1.105 1287 S HN 0.617 nan 8.310 nan 0.000 0.468 1288 N N 1.810 120.641 118.700 0.217 0.000 2.461 1288 N HA 0.008 4.748 4.740 0.000 0.000 0.188 1288 N C 1.111 176.808 175.510 0.311 0.000 1.134 1288 N CA 0.253 53.520 53.050 0.362 0.000 0.878 1288 N CB -0.144 38.513 38.487 0.283 0.000 0.972 1288 N HN 0.814 nan 8.380 nan 0.000 0.456 1289 W N 1.349 122.630 121.300 -0.032 0.000 2.338 1289 W HA -0.238 4.422 4.660 0.000 0.000 0.304 1289 W C 1.327 177.819 176.519 -0.045 0.000 1.212 1289 W CA 1.400 58.683 57.345 -0.102 0.000 1.264 1289 W CB -0.441 28.828 29.460 -0.319 0.000 1.142 1289 W HN 0.023 nan 8.180 nan 0.000 0.512 1290 Y N -0.730 119.707 120.300 0.228 0.000 2.193 1290 Y HA -0.235 4.315 4.550 0.000 0.000 0.285 1290 Y C 2.089 177.862 175.900 -0.212 0.000 1.166 1290 Y CA 1.799 59.876 58.100 -0.038 0.000 1.181 1290 Y CB -1.539 36.862 38.460 -0.098 0.000 0.976 1290 Y HN -0.112 nan 8.280 nan 0.000 0.520 1291 F N -0.392 119.612 119.950 0.091 0.000 2.408 1291 F HA -0.173 4.354 4.527 0.000 0.000 0.300 1291 F C 1.908 177.633 175.800 -0.124 0.000 1.090 1291 F CA 1.192 59.189 58.000 -0.005 0.000 1.427 1291 F CB -0.600 38.396 39.000 -0.007 0.000 1.070 1291 F HN 0.085 nan 8.300 nan 0.000 0.549 1292 N N -1.262 117.370 118.700 -0.113 0.000 2.280 1292 N HA -0.029 4.711 4.740 0.000 0.000 0.192 1292 N C 0.158 175.223 175.510 -0.743 0.000 1.109 1292 N CA 0.498 53.313 53.050 -0.391 0.000 0.855 1292 N CB -0.204 37.984 38.487 -0.500 0.000 0.974 1292 N HN 0.197 nan 8.380 nan 0.000 0.482 1293 H N -1.167 117.691 119.070 -0.354 0.000 2.750 1293 H HA 0.316 4.872 4.556 0.000 0.000 0.252 1293 H C 0.852 176.102 175.328 -0.131 0.000 1.176 1293 H CA -0.191 55.679 56.048 -0.297 0.000 0.987 1293 H CB 0.248 29.706 29.762 -0.508 0.000 1.810 1293 H HN 0.027 nan 8.280 nan 0.000 0.630 1294 L N 0.170 121.383 121.223 -0.018 0.000 2.549 1294 L HA -0.115 4.225 4.340 0.000 0.000 0.230 1294 L C 1.428 178.298 176.870 0.001 0.000 1.162 1294 L CA 1.346 56.189 54.840 0.005 0.000 0.834 1294 L CB -0.096 41.974 42.059 0.018 0.000 0.947 1294 L HN 0.233 nan 8.230 nan 0.000 0.452 1295 K N -0.904 119.491 120.400 -0.009 0.000 2.367 1295 K HA 0.066 4.387 4.320 0.000 0.000 0.194 1295 K C -0.037 176.569 176.600 0.011 0.000 1.027 1295 K CA -0.265 56.018 56.287 -0.007 0.000 1.075 1295 K CB 0.278 32.764 32.500 -0.023 0.000 0.845 1295 K HN 0.191 nan 8.250 nan 0.000 0.529 1296 D N 1.918 122.338 120.400 0.033 0.000 2.400 1296 D HA -0.061 4.579 4.640 0.000 0.000 0.238 1296 D C 1.131 177.450 176.300 0.032 0.000 1.157 1296 D CA 0.258 54.287 54.000 0.048 0.000 0.889 1296 D CB 0.909 41.761 40.800 0.087 0.000 1.199 1296 D HN 0.103 nan 8.370 nan 0.000 0.436 1297 K N 0.670 121.088 120.400 0.031 0.000 2.026 1297 K HA -0.067 4.253 4.320 0.000 0.000 0.208 1297 K C 0.429 177.038 176.600 0.015 0.000 1.048 1297 K CA 0.785 57.086 56.287 0.023 0.000 0.929 1297 K CB 0.191 32.707 32.500 0.027 0.000 0.713 1297 K HN 0.241 nan 8.250 nan 0.000 0.439 1298 I N 1.486 122.068 120.570 0.020 0.000 2.465 1298 I HA 0.375 4.545 4.170 0.000 0.000 0.291 1298 I C -1.151 174.976 176.117 0.016 0.000 1.014 1298 I CA -1.205 60.095 61.300 0.001 0.000 1.093 1298 I CB 1.599 39.599 38.000 0.001 0.000 1.267 1298 I HN 0.117 nan 8.210 nan 0.000 0.431 1299 L N 3.958 125.169 121.223 -0.019 0.000 2.431 1299 L HA 0.628 4.968 4.340 0.000 0.000 0.266 1299 L C 0.962 177.777 176.870 -0.091 0.000 0.978 1299 L CA -0.036 54.822 54.840 0.031 0.000 0.822 1299 L CB 2.189 44.278 42.059 0.050 0.000 1.310 1299 L HN 0.695 nan 8.230 nan 0.000 0.409 1300 G N 1.501 110.303 108.800 0.002 0.000 2.708 1300 G HA2 -0.132 3.828 3.960 0.000 0.000 0.210 1300 G HA3 -0.132 3.828 3.960 0.000 0.000 0.210 1300 G C 0.905 175.500 174.900 -0.509 0.000 1.141 1300 G CA 0.802 45.796 45.100 -0.176 0.000 0.788 1300 G HN 0.873 nan 8.290 nan 0.000 0.531 1301 C N -0.966 117.925 119.300 -0.682 0.000 2.855 1301 C HA 0.349 4.809 4.460 0.000 0.000 0.279 1301 C C -0.310 174.387 174.990 -0.488 0.000 1.270 1301 C CA -1.487 57.062 59.018 -0.782 0.000 1.702 1301 C CB -0.439 26.626 27.740 -1.125 0.000 1.949 1301 C HN 0.105 nan 8.230 nan 0.000 0.618 1302 D N 0.837 120.906 120.400 -0.551 0.000 2.232 1302 D HA 0.417 5.057 4.640 0.000 0.000 0.242 1302 D C -0.902 175.025 176.300 -0.622 0.000 1.093 1302 D CA 0.444 54.199 54.000 -0.409 0.000 0.845 1302 D CB 0.683 41.289 40.800 -0.322 0.000 1.124 1302 D HN 0.612 nan 8.370 nan 0.000 0.467 1303 W N 1.589 122.802 121.300 -0.145 0.000 2.736 1303 W HA 0.367 5.027 4.660 0.000 0.000 0.335 1303 W C -0.585 175.954 176.519 0.033 0.000 1.059 1303 W CA -0.980 56.304 57.345 -0.101 0.000 1.226 1303 W CB 0.932 30.355 29.460 -0.061 0.000 1.416 1303 W HN 0.198 nan 8.180 nan 0.000 0.505 1304 Y N 1.921 122.427 120.300 0.343 0.000 2.320 1304 Y HA 0.430 4.980 4.550 0.000 0.000 0.334 1304 Y C -0.388 175.654 175.900 0.236 0.000 1.055 1304 Y CA -1.148 57.150 58.100 0.330 0.000 1.143 1304 Y CB 0.543 39.181 38.460 0.297 0.000 1.193 1304 Y HN 0.125 nan 8.280 nan 0.000 0.477 1305 F N 2.690 122.748 119.950 0.180 0.000 2.332 1305 F HA 0.436 4.963 4.527 0.000 0.000 0.368 1305 F C -0.437 175.421 175.800 0.097 0.000 1.110 1305 F CA -1.151 56.843 58.000 -0.011 0.000 1.087 1305 F CB 0.883 39.616 39.000 -0.445 0.000 1.235 1305 F HN 0.064 nan 8.300 nan 0.000 0.470 1306 V N 6.550 126.631 119.914 0.277 0.000 2.333 1306 V HA 0.388 4.509 4.120 0.000 0.000 0.274 1306 V C -2.171 174.248 176.094 0.543 0.000 1.028 1306 V CA -1.670 60.745 62.300 0.192 0.000 0.851 1306 V CB 1.032 32.745 31.823 -0.183 0.000 1.000 1306 V HN 0.447 nan 8.190 nan 0.000 0.456 1307 P HA 0.309 nan 4.420 nan 0.000 0.293 1307 P C -0.112 177.567 177.300 0.631 0.000 1.291 1307 P CA -0.312 63.095 63.100 0.511 0.000 0.867 1307 P CB 1.509 33.466 31.700 0.428 0.000 1.074 1308 T N -0.409 114.346 114.554 0.335 0.000 2.940 1308 T HA 0.185 4.535 4.350 0.000 0.000 0.309 1308 T C -0.159 174.668 174.700 0.211 0.000 1.056 1308 T CA -0.068 62.042 62.100 0.016 0.000 1.137 1308 T CB 0.305 69.004 68.868 -0.283 0.000 0.976 1308 T HN 0.489 nan 8.240 nan 0.000 0.547 1309 D N 1.067 121.612 120.400 0.242 0.000 2.947 1309 D HA 0.086 4.726 4.640 0.000 0.000 0.224 1309 D C 0.883 177.241 176.300 0.096 0.000 1.230 1309 D CA -0.511 53.560 54.000 0.119 0.000 0.871 1309 D CB 1.983 42.731 40.800 -0.087 0.000 1.671 1309 D HN 0.837 nan 8.370 nan 0.000 0.507 1310 E N 1.531 121.768 120.200 0.061 0.000 2.401 1310 E HA -0.061 4.289 4.350 0.000 0.000 0.199 1310 E C 1.263 177.948 176.600 0.142 0.000 1.023 1310 E CA 0.880 57.343 56.400 0.106 0.000 0.859 1310 E CB -0.123 29.634 29.700 0.096 0.000 0.780 1310 E HN 0.419 nan 8.360 nan 0.000 0.523 1311 G N 0.471 109.310 108.800 0.065 0.000 2.744 1311 G HA2 -0.137 3.823 3.960 0.000 0.000 0.211 1311 G HA3 -0.137 3.823 3.960 0.000 0.000 0.211 1311 G C -0.376 174.520 174.900 -0.006 0.000 1.143 1311 G CA -0.158 44.939 45.100 -0.004 0.000 0.788 1311 G HN 0.323 nan 8.290 nan 0.000 0.534 1312 W N 1.295 122.525 121.300 -0.116 0.000 2.934 1312 W HA 0.543 5.204 4.660 0.001 0.000 0.333 1312 W C -1.586 175.029 176.519 0.161 0.000 1.035 1312 W CA -0.768 56.567 57.345 -0.017 0.000 1.256 1312 W CB 1.296 30.774 29.460 0.030 0.000 1.306 1312 W HN -0.196 nan 8.180 nan 0.000 0.430 1313 T N 5.618 120.255 114.554 0.139 0.000 2.841 1313 T HA 0.254 4.604 4.350 0.000 0.000 0.285 1313 T C 0.011 174.725 174.700 0.024 0.000 0.991 1313 T CA -0.523 61.706 62.100 0.216 0.000 0.966 1313 T CB 1.184 70.102 68.868 0.083 0.000 0.962 1313 T HN 0.202 nan 8.240 nan 0.000 0.438 1314 N N 3.340 122.170 118.700 0.218 0.000 2.492 1314 N HA 0.114 4.854 4.740 0.000 0.000 0.262 1314 N C 0.049 175.526 175.510 -0.056 0.000 1.202 1314 N CA 0.001 53.142 53.050 0.152 0.000 0.926 1314 N CB 0.659 39.306 38.487 0.266 0.000 1.078 1314 N HN 0.581 nan 8.380 nan 0.000 0.454 1315 D N 0.000 120.221 120.400 -0.299 0.000 6.856 1315 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1315 D CA 0.000 53.717 54.000 -0.472 0.000 0.868 1315 D CB 0.000 40.187 40.800 -1.022 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683