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 1fv3_1_B DATA FIRST_RESID 865 DATA SEQUENCE KNLDcWVDNE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL DATA SEQUENCE VPGINGKAIH LVNNESSEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS DATA SEQUENCE HLEQYGTNEY SIISSMKKHS LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI DATA SEQUENCE TFRDLPDKFN AYLANKWVFI TITNDRLSSA NLYINGVLMG SAEITGLGAI DATA SEQUENCE REDNNITLKL DRCNNNNQYV SIDKFRIFcK ALNPKEIEKL YTSYLSITFL DATA SEQUENCE RDFWGNPLRY DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI DATA SEQUENCE YYRRLYNGLK FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD DATA SEQUENCE GNAFNNLDRI LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS DATA SEQUENCE LGLVGTHNGQ IGNDPNRDIL IASNWYFNHL KDKILGCDWY FVPTDEGWTN DATA SEQUENCE D 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 865 K HA 0.000 nan 4.320 nan 0.000 0.191 865 K C 0.000 176.639 176.600 0.065 0.000 0.988 865 K CA 0.000 56.305 56.287 0.030 0.000 0.838 865 K CB 0.000 32.501 32.500 0.002 0.000 1.064 866 N N 2.107 120.839 118.700 0.052 0.000 2.133 866 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 866 N C 0.312 175.874 175.510 0.085 0.000 1.012 866 N CA 1.178 54.266 53.050 0.064 0.000 0.871 866 N CB -0.354 38.165 38.487 0.052 0.000 1.011 866 N HN 0.227 nan 8.380 nan 0.000 0.435 867 L N 1.549 122.827 121.223 0.092 0.000 2.593 867 L HA 0.034 4.374 4.340 -0.000 0.000 0.287 867 L C 0.630 177.574 176.870 0.124 0.000 1.243 867 L CA 1.285 56.188 54.840 0.104 0.000 0.890 867 L CB -0.467 41.658 42.059 0.110 0.000 1.134 867 L HN 0.421 nan 8.230 nan 0.000 0.502 868 D N 1.127 121.605 120.400 0.130 0.000 4.547 868 D HA 0.238 4.878 4.640 -0.000 0.000 0.361 868 D C -1.726 174.683 176.300 0.183 0.000 1.690 868 D CA -0.158 53.934 54.000 0.153 0.000 0.989 868 D CB 0.644 41.531 40.800 0.145 0.000 1.506 868 D HN 0.455 nan 8.370 nan 0.000 0.645 869 c N 1.784 120.535 118.600 0.252 0.000 2.599 869 c HA 0.375 4.945 4.570 -0.000 0.000 0.354 869 c C 0.785 175.265 174.090 0.650 0.000 1.092 869 c CA -0.976 55.622 56.329 0.448 0.000 1.280 869 c CB -0.116 42.673 42.510 0.464 0.000 1.829 869 c HN 0.711 nan 8.230 nan 0.000 0.454 870 W N 2.960 124.283 121.300 0.038 0.000 2.712 870 W HA 0.081 4.741 4.660 -0.000 0.000 0.302 870 W C 0.014 176.543 176.519 0.016 0.000 1.163 870 W CA 0.407 57.769 57.345 0.028 0.000 1.120 870 W CB -0.292 29.186 29.460 0.030 0.000 1.149 870 W HN 0.455 nan 8.180 nan 0.000 0.556 871 V N 0.031 119.803 119.914 -0.235 0.000 3.084 871 V HA 0.418 4.538 4.120 -0.000 0.000 0.311 871 V C -0.328 175.630 176.094 -0.226 0.000 1.311 871 V CA 0.404 62.435 62.300 -0.448 0.000 1.062 871 V CB 2.287 33.569 31.823 -0.903 0.000 1.113 871 V HN -0.010 nan 8.190 nan 0.000 0.468 872 D N -0.617 119.643 120.400 -0.234 0.000 1.490 872 D HA 0.122 4.762 4.640 -0.000 0.000 0.826 872 D C -0.299 175.904 176.300 -0.162 0.000 0.451 872 D CA 0.278 54.181 54.000 -0.162 0.000 1.354 872 D CB 0.107 40.845 40.800 -0.104 0.000 1.048 872 D HN 0.610 nan 8.370 nan 0.000 0.389 873 N N 0.432 119.028 118.700 -0.174 0.000 2.725 873 N HA 0.167 4.907 4.740 -0.000 0.000 0.225 873 N C -0.113 175.302 175.510 -0.159 0.000 1.465 873 N CA 0.069 53.030 53.050 -0.148 0.000 0.830 873 N CB 1.194 39.620 38.487 -0.103 0.000 1.460 873 N HN 0.243 nan 8.380 nan 0.000 0.538 874 E N -0.023 120.043 120.200 -0.224 0.000 2.176 874 E HA 0.229 4.578 4.350 -0.000 0.000 0.194 874 E C 0.102 176.608 176.600 -0.156 0.000 0.947 874 E CA 0.301 56.575 56.400 -0.210 0.000 0.960 874 E CB 0.385 29.893 29.700 -0.321 0.000 1.002 874 E HN 0.033 nan 8.360 nan 0.000 0.479 875 E N 0.999 121.092 120.200 -0.178 0.000 2.518 875 E HA 0.199 4.548 4.350 -0.000 0.000 0.241 875 E C -0.842 175.707 176.600 -0.084 0.000 0.899 875 E CA -0.727 55.619 56.400 -0.090 0.000 0.888 875 E CB 0.113 29.795 29.700 -0.030 0.000 1.426 875 E HN 0.174 nan 8.360 nan 0.000 0.401 876 D N 1.357 121.732 120.400 -0.042 0.000 2.502 876 D HA -0.011 4.629 4.640 -0.000 0.000 0.249 876 D C 1.442 177.714 176.300 -0.047 0.000 1.188 876 D CA 0.327 54.304 54.000 -0.038 0.000 0.890 876 D CB 0.311 41.103 40.800 -0.014 0.000 1.140 876 D HN 0.357 nan 8.370 nan 0.000 0.505 877 I N 1.686 122.216 120.570 -0.067 0.000 2.147 877 I HA -0.375 3.795 4.170 -0.000 0.000 0.245 877 I C 1.688 177.778 176.117 -0.044 0.000 1.059 877 I CA 1.428 62.681 61.300 -0.078 0.000 1.320 877 I CB -0.071 37.877 38.000 -0.087 0.000 1.021 877 I HN 0.310 nan 8.210 nan 0.000 0.415 878 D N 0.435 120.819 120.400 -0.028 0.000 2.104 878 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 878 D C 2.333 178.657 176.300 0.039 0.000 0.994 878 D CA 1.284 55.281 54.000 -0.005 0.000 0.830 878 D CB -0.455 40.337 40.800 -0.013 0.000 0.959 878 D HN 0.188 nan 8.370 nan 0.000 0.452 879 V N 1.475 121.419 119.914 0.049 0.000 2.252 879 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 879 V C 2.605 178.805 176.094 0.177 0.000 1.056 879 V CA 1.371 63.734 62.300 0.105 0.000 1.022 879 V CB -0.470 31.412 31.823 0.100 0.000 0.641 879 V HN 0.179 nan 8.190 nan 0.000 0.445 880 I N -0.643 119.998 120.570 0.119 0.000 2.208 880 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 880 I C 2.358 178.606 176.117 0.219 0.000 1.097 880 I CA 1.588 62.976 61.300 0.146 0.000 1.363 880 I CB -0.377 37.550 38.000 -0.122 0.000 1.051 880 I HN 0.262 nan 8.210 nan 0.000 0.413 881 L N 0.626 121.923 121.223 0.124 0.000 2.012 881 L HA -0.283 4.056 4.340 -0.000 0.000 0.210 881 L C 2.689 179.742 176.870 0.305 0.000 1.073 881 L CA 1.749 56.703 54.840 0.190 0.000 0.748 881 L CB -0.657 41.472 42.059 0.117 0.000 0.891 881 L HN 0.285 nan 8.230 nan 0.000 0.431 882 K N 0.715 121.241 120.400 0.210 0.000 2.001 882 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 882 K C 2.167 178.878 176.600 0.185 0.000 1.048 882 K CA 1.499 57.890 56.287 0.174 0.000 0.932 882 K CB -0.035 32.539 32.500 0.123 0.000 0.715 882 K HN 0.122 nan 8.250 nan 0.000 0.437 883 K N 0.566 121.097 120.400 0.219 0.000 2.103 883 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 883 K C 1.931 178.619 176.600 0.146 0.000 1.048 883 K CA 1.798 58.179 56.287 0.156 0.000 0.930 883 K CB -0.078 32.527 32.500 0.175 0.000 0.716 883 K HN 0.322 nan 8.250 nan 0.000 0.444 884 S N -0.362 115.527 115.700 0.315 0.000 2.605 884 S HA 0.043 4.513 4.470 -0.000 0.000 0.217 884 S C 0.385 175.133 174.600 0.247 0.000 0.958 884 S CA -0.351 58.034 58.200 0.309 0.000 0.919 884 S CB 0.266 63.732 63.200 0.444 0.000 0.780 884 S HN -0.088 nan 8.310 nan 0.000 0.507 885 T N 3.367 118.008 114.554 0.143 0.000 2.728 885 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 885 T C 1.254 175.847 174.700 -0.178 0.000 0.940 885 T CA -0.505 61.537 62.100 -0.096 0.000 1.013 885 T CB 0.677 69.480 68.868 -0.109 0.000 0.912 885 T HN 0.503 nan 8.240 nan 0.000 0.484 886 I N 1.659 122.052 120.570 -0.296 0.000 3.265 886 I HA 0.449 4.618 4.170 -0.000 0.000 0.282 886 I C 0.056 175.949 176.117 -0.374 0.000 1.207 886 I CA 0.090 61.085 61.300 -0.508 0.000 1.449 886 I CB 0.249 37.952 38.000 -0.495 0.000 1.121 886 I HN 0.301 nan 8.210 nan 0.000 0.442 887 L N 1.506 122.586 121.223 -0.238 0.000 2.422 887 L HA 0.553 4.892 4.340 -0.000 0.000 0.264 887 L C -1.424 175.385 176.870 -0.102 0.000 0.984 887 L CA -0.447 54.328 54.840 -0.108 0.000 0.819 887 L CB 1.946 43.989 42.059 -0.027 0.000 1.330 887 L HN 0.293 nan 8.230 nan 0.000 0.410 888 N N 4.401 123.102 118.700 0.002 0.000 2.747 888 N HA 0.371 5.111 4.740 -0.000 0.000 0.262 888 N C -1.840 173.732 175.510 0.103 0.000 1.261 888 N CA -0.518 52.549 53.050 0.029 0.000 0.809 888 N CB 0.795 39.289 38.487 0.011 0.000 1.450 888 N HN 0.621 nan 8.380 nan 0.000 0.560 889 L N 1.991 123.312 121.223 0.162 0.000 2.361 889 L HA 0.364 4.704 4.340 -0.000 0.000 0.278 889 L C 0.009 176.965 176.870 0.142 0.000 1.113 889 L CA -0.141 54.798 54.840 0.165 0.000 0.849 889 L CB 0.512 42.699 42.059 0.214 0.000 1.155 889 L HN 0.554 nan 8.230 nan 0.000 0.452 890 D N 3.638 124.102 120.400 0.108 0.000 2.419 890 D HA 0.589 5.229 4.640 -0.000 0.000 0.234 890 D C -0.882 175.460 176.300 0.069 0.000 1.014 890 D CA -0.433 53.620 54.000 0.088 0.000 0.919 890 D CB 1.928 42.774 40.800 0.076 0.000 1.366 890 D HN 0.303 nan 8.370 nan 0.000 0.490 891 I N 2.654 123.254 120.570 0.050 0.000 2.439 891 I HA 0.337 4.507 4.170 -0.000 0.000 0.283 891 I C -0.766 175.367 176.117 0.027 0.000 1.023 891 I CA -0.704 60.620 61.300 0.040 0.000 1.100 891 I CB 1.069 39.091 38.000 0.036 0.000 1.238 891 I HN 0.185 nan 8.210 nan 0.000 0.445 892 N N 7.153 125.870 118.700 0.029 0.000 2.461 892 N HA 0.299 5.039 4.740 -0.000 0.000 0.284 892 N C -0.583 174.941 175.510 0.024 0.000 1.049 892 N CA -0.603 52.462 53.050 0.024 0.000 0.889 892 N CB 1.791 40.294 38.487 0.026 0.000 1.365 892 N HN 0.537 nan 8.380 nan 0.000 0.499 893 N N 1.720 120.433 118.700 0.022 0.000 2.815 893 N HA -0.140 4.600 4.740 -0.000 0.000 0.248 893 N C -0.987 174.536 175.510 0.021 0.000 1.110 893 N CA 0.745 53.808 53.050 0.022 0.000 0.699 893 N CB -0.666 37.834 38.487 0.021 0.000 1.040 893 N HN 0.761 nan 8.380 nan 0.000 0.555 894 D N -1.271 119.142 120.400 0.023 0.000 3.076 894 D HA -0.176 4.464 4.640 -0.000 0.000 0.218 894 D C -0.213 176.102 176.300 0.024 0.000 1.156 894 D CA 0.972 54.986 54.000 0.024 0.000 0.921 894 D CB -0.746 40.067 40.800 0.022 0.000 1.113 894 D HN 0.519 nan 8.370 nan 0.000 0.418 895 I N 1.163 121.747 120.570 0.024 0.000 2.382 895 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 895 I C 0.786 176.923 176.117 0.033 0.000 1.002 895 I CA -0.675 60.639 61.300 0.024 0.000 1.135 895 I CB 1.226 39.238 38.000 0.020 0.000 1.288 895 I HN -0.119 nan 8.210 nan 0.000 0.448 896 I N 6.086 126.678 120.570 0.037 0.000 2.471 896 I HA 0.162 4.331 4.170 -0.000 0.000 0.286 896 I C 0.661 176.810 176.117 0.053 0.000 1.079 896 I CA 0.461 61.791 61.300 0.050 0.000 1.398 896 I CB 0.832 38.864 38.000 0.053 0.000 1.403 896 I HN 0.694 nan 8.210 nan 0.000 0.530 897 S N 3.513 119.251 115.700 0.063 0.000 2.596 897 S HA 0.376 4.845 4.470 -0.000 0.000 0.270 897 S C -1.287 173.361 174.600 0.080 0.000 1.155 897 S CA -1.092 57.147 58.200 0.066 0.000 0.827 897 S CB 2.073 65.305 63.200 0.054 0.000 1.130 897 S HN 0.530 nan 8.310 nan 0.000 0.467 898 D N 0.708 121.159 120.400 0.084 0.000 2.280 898 D HA 0.432 5.072 4.640 -0.000 0.000 0.243 898 D C 0.844 177.197 176.300 0.088 0.000 1.129 898 D CA -0.566 53.490 54.000 0.094 0.000 0.848 898 D CB 0.671 41.533 40.800 0.103 0.000 1.107 898 D HN 0.647 nan 8.370 nan 0.000 0.471 899 I N 0.790 121.412 120.570 0.086 0.000 4.025 899 I HA 0.251 4.421 4.170 -0.000 0.000 0.336 899 I C 0.181 176.351 176.117 0.089 0.000 1.390 899 I CA -0.581 60.767 61.300 0.080 0.000 1.099 899 I CB 0.185 38.228 38.000 0.071 0.000 1.049 899 I HN 0.186 nan 8.210 nan 0.000 0.394 900 S N 1.055 116.817 115.700 0.102 0.000 2.548 900 S HA 0.365 4.835 4.470 -0.000 0.000 0.277 900 S C 1.388 176.119 174.600 0.217 0.000 1.315 900 S CA 0.032 58.315 58.200 0.139 0.000 1.050 900 S CB 1.333 64.591 63.200 0.097 0.000 0.918 900 S HN 0.410 nan 8.310 nan 0.000 0.497 901 G N 1.498 110.429 108.800 0.218 0.000 2.657 901 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.210 901 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.210 901 G C 0.416 175.361 174.900 0.074 0.000 1.145 901 G CA 0.124 45.294 45.100 0.116 0.000 0.776 901 G HN 0.781 nan 8.290 nan 0.000 0.540 902 F N -0.147 119.813 119.950 0.017 0.000 2.789 902 F HA 0.159 4.686 4.527 -0.000 0.000 0.300 902 F C 1.410 177.225 175.800 0.026 0.000 1.132 902 F CA 0.097 58.109 58.000 0.020 0.000 1.404 902 F CB -0.120 38.890 39.000 0.017 0.000 1.114 902 F HN 0.213 nan 8.300 nan 0.000 0.584 903 N N -0.012 118.790 118.700 0.170 0.000 2.714 903 N HA -0.196 4.543 4.740 -0.000 0.000 0.250 903 N C -0.125 175.458 175.510 0.122 0.000 1.117 903 N CA 0.012 53.130 53.050 0.113 0.000 0.719 903 N CB -1.218 37.309 38.487 0.068 0.000 1.081 903 N HN 0.064 nan 8.380 nan 0.000 0.557 904 S N 0.242 116.028 115.700 0.142 0.000 2.559 904 S HA 0.085 4.555 4.470 -0.000 0.000 0.282 904 S C 0.560 175.228 174.600 0.114 0.000 1.336 904 S CA -0.119 58.153 58.200 0.119 0.000 1.037 904 S CB 1.347 64.603 63.200 0.093 0.000 0.853 904 S HN 0.331 nan 8.310 nan 0.000 0.523 905 S N 1.698 117.480 115.700 0.137 0.000 2.499 905 S HA 0.514 4.984 4.470 -0.000 0.000 0.279 905 S C -0.769 173.960 174.600 0.215 0.000 1.219 905 S CA -0.758 57.529 58.200 0.145 0.000 1.062 905 S CB 0.308 63.567 63.200 0.098 0.000 0.978 905 S HN 0.430 nan 8.310 nan 0.000 0.489 906 V N 6.517 126.518 119.914 0.144 0.000 2.409 906 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 906 V C -0.651 175.501 176.094 0.097 0.000 1.020 906 V CA -0.806 61.564 62.300 0.118 0.000 0.848 906 V CB 1.446 33.315 31.823 0.077 0.000 0.990 906 V HN 0.752 nan 8.190 nan 0.000 0.430 907 I N 3.627 124.267 120.570 0.117 0.000 2.355 907 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 907 I C 0.426 176.508 176.117 -0.059 0.000 0.999 907 I CA -0.156 61.150 61.300 0.010 0.000 1.163 907 I CB 1.576 39.594 38.000 0.030 0.000 1.316 907 I HN 0.524 nan 8.210 nan 0.000 0.454 908 T N 6.519 121.004 114.554 -0.115 0.000 2.749 908 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 908 T C -0.156 174.414 174.700 -0.216 0.000 0.936 908 T CA -0.130 61.930 62.100 -0.067 0.000 1.060 908 T CB 0.161 69.013 68.868 -0.026 0.000 0.904 908 T HN 0.146 nan 8.240 nan 0.000 0.500 909 Y N 3.990 124.292 120.300 0.003 0.000 2.307 909 Y HA 0.226 4.776 4.550 -0.000 0.000 0.324 909 Y C -0.916 174.985 175.900 0.000 0.000 1.238 909 Y CA -2.054 56.047 58.100 0.000 0.000 1.280 909 Y CB 0.434 38.888 38.460 -0.010 0.000 1.248 909 Y HN 0.447 nan 8.280 nan 0.000 0.508 910 P HA -0.275 nan 4.420 nan 0.000 0.217 910 P C 0.623 177.958 177.300 0.059 0.000 1.162 910 P CA 1.994 65.136 63.100 0.069 0.000 0.901 910 P CB 0.340 32.082 31.700 0.070 0.000 0.793 911 D N -0.992 119.446 120.400 0.063 0.000 2.336 911 D HA 0.242 4.881 4.640 -0.000 0.000 0.228 911 D C 0.147 176.471 176.300 0.040 0.000 1.120 911 D CA -0.279 53.744 54.000 0.040 0.000 0.839 911 D CB -0.506 40.306 40.800 0.021 0.000 0.932 911 D HN 0.050 nan 8.370 nan 0.000 0.509 912 A N 0.427 123.283 122.820 0.059 0.000 2.450 912 A HA 0.424 4.743 4.320 -0.000 0.000 0.255 912 A C 0.242 177.865 177.584 0.066 0.000 1.096 912 A CA 0.009 52.081 52.037 0.058 0.000 0.778 912 A CB 0.417 19.460 19.000 0.072 0.000 1.031 912 A HN 0.207 nan 8.150 nan 0.000 0.494 913 Q N 0.622 120.477 119.800 0.092 0.000 2.445 913 Q HA 0.703 5.043 4.340 -0.000 0.000 0.281 913 Q C -1.068 175.008 176.000 0.127 0.000 1.101 913 Q CA -0.662 55.204 55.803 0.106 0.000 0.833 913 Q CB 2.056 30.875 28.738 0.134 0.000 1.416 913 Q HN 0.715 nan 8.270 nan 0.000 0.451 914 L N 1.340 122.617 121.223 0.089 0.000 2.322 914 L HA 0.781 5.120 4.340 -0.000 0.000 0.279 914 L C -0.511 176.391 176.870 0.053 0.000 1.036 914 L CA -0.987 53.902 54.840 0.081 0.000 0.807 914 L CB 1.328 43.420 42.059 0.055 0.000 1.226 914 L HN 0.459 nan 8.230 nan 0.000 0.433 915 V N 0.286 120.240 119.914 0.066 0.000 3.159 915 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 915 V C -2.787 173.354 176.094 0.078 0.000 1.190 915 V CA -2.667 59.655 62.300 0.037 0.000 1.037 915 V CB 1.680 33.514 31.823 0.019 0.000 1.060 915 V HN 0.476 nan 8.190 nan 0.000 0.437 916 P HA 0.416 nan 4.420 nan 0.000 0.266 916 P C 0.115 177.467 177.300 0.087 0.000 1.195 916 P CA 0.971 64.110 63.100 0.065 0.000 0.768 916 P CB 0.578 32.341 31.700 0.106 0.000 0.838 917 G N 1.262 109.967 108.800 -0.159 0.000 3.176 917 G HA2 0.429 4.389 3.960 -0.000 0.000 0.272 917 G HA3 0.429 4.389 3.960 -0.000 0.000 0.272 917 G C 0.298 174.742 174.900 -0.759 0.000 1.349 917 G CA -0.843 43.933 45.100 -0.541 0.000 0.953 917 G HN 0.396 nan 8.290 nan 0.000 0.559 918 I N -1.675 118.220 120.570 -1.126 0.000 3.444 918 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 918 I C 0.640 176.383 176.117 -0.624 0.000 1.302 918 I CA -0.227 60.508 61.300 -0.941 0.000 1.368 918 I CB -0.368 36.847 38.000 -1.308 0.000 1.048 918 I HN 0.267 nan 8.210 nan 0.000 0.487 919 N N 0.268 118.657 118.700 -0.519 0.000 2.971 919 N HA 0.371 5.111 4.740 -0.000 0.000 0.193 919 N C -0.192 175.161 175.510 -0.261 0.000 1.259 919 N CA 0.590 53.435 53.050 -0.342 0.000 1.656 919 N CB 0.064 38.429 38.487 -0.203 0.000 1.566 919 N HN 0.485 nan 8.380 nan 0.000 0.631 920 G N 0.250 108.872 108.800 -0.295 0.000 2.249 920 G HA2 0.014 3.974 3.960 -0.000 0.000 0.089 920 G HA3 0.014 3.974 3.960 -0.000 0.000 0.089 920 G C -1.640 173.164 174.900 -0.160 0.000 1.206 920 G CA -0.643 44.341 45.100 -0.194 0.000 1.190 920 G HN 0.161 nan 8.290 nan 0.000 0.454 921 K N 0.382 120.729 120.400 -0.088 0.000 2.258 921 K HA 0.839 5.158 4.320 -0.000 0.000 0.236 921 K C -0.265 176.322 176.600 -0.022 0.000 1.008 921 K CA -0.039 56.225 56.287 -0.039 0.000 0.869 921 K CB 2.191 34.693 32.500 0.004 0.000 1.171 921 K HN 1.109 nan 8.250 nan 0.000 0.447 922 A N 1.091 123.941 122.820 0.050 0.000 2.479 922 A HA 0.645 4.965 4.320 -0.000 0.000 0.296 922 A C -0.747 176.951 177.584 0.191 0.000 1.121 922 A CA -0.815 51.296 52.037 0.124 0.000 0.743 922 A CB 0.753 19.879 19.000 0.210 0.000 1.323 922 A HN 0.634 nan 8.150 nan 0.000 0.415 923 I N 1.483 122.189 120.570 0.226 0.000 2.371 923 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 923 I C -0.226 176.051 176.117 0.266 0.000 1.028 923 I CA 0.006 61.426 61.300 0.199 0.000 1.345 923 I CB 0.759 38.847 38.000 0.147 0.000 1.407 923 I HN 0.722 nan 8.210 nan 0.000 0.501 924 H N 7.076 126.208 119.070 0.104 0.000 2.466 924 H HA 0.659 5.215 4.556 -0.000 0.000 0.338 924 H C -1.340 174.026 175.328 0.062 0.000 1.091 924 H CA -0.469 55.631 56.048 0.085 0.000 1.207 924 H CB 1.074 30.858 29.762 0.038 0.000 1.466 924 H HN 0.386 nan 8.280 nan 0.000 0.493 925 L N 5.835 126.873 121.223 -0.307 0.000 2.362 925 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 925 L C -0.492 176.215 176.870 -0.272 0.000 0.998 925 L CA -1.334 53.382 54.840 -0.207 0.000 0.820 925 L CB 1.797 43.807 42.059 -0.081 0.000 1.270 925 L HN 0.429 nan 8.230 nan 0.000 0.415 926 V N -1.026 118.785 119.914 -0.172 0.000 2.994 926 V HA 0.495 4.614 4.120 -0.000 0.000 0.318 926 V C 0.079 176.125 176.094 -0.081 0.000 1.085 926 V CA -0.862 61.378 62.300 -0.100 0.000 0.998 926 V CB 1.899 33.683 31.823 -0.064 0.000 1.063 926 V HN 0.726 nan 8.190 nan 0.000 0.447 927 N N 2.604 121.252 118.700 -0.087 0.000 3.193 927 N HA 0.212 4.951 4.740 -0.000 0.000 0.312 927 N C -0.675 174.779 175.510 -0.094 0.000 1.261 927 N CA 0.348 53.326 53.050 -0.119 0.000 1.208 927 N CB -1.298 37.080 38.487 -0.181 0.000 1.471 927 N HN 0.923 nan 8.380 nan 0.000 0.548 928 N N -0.431 118.224 118.700 -0.075 0.000 2.260 928 N HA 0.153 4.893 4.740 -0.000 0.000 0.293 928 N C 0.138 175.610 175.510 -0.063 0.000 1.058 928 N CA -0.676 52.337 53.050 -0.061 0.000 0.824 928 N CB 1.520 39.983 38.487 -0.041 0.000 1.551 928 N HN 0.074 nan 8.380 nan 0.000 0.475 929 E N -0.043 120.118 120.200 -0.065 0.000 2.401 929 E HA -0.122 4.227 4.350 -0.000 0.000 0.199 929 E C 0.743 177.293 176.600 -0.083 0.000 1.023 929 E CA 0.752 57.103 56.400 -0.081 0.000 0.859 929 E CB 0.011 29.664 29.700 -0.077 0.000 0.780 929 E HN 0.369 nan 8.360 nan 0.000 0.523 930 S N -0.041 115.632 115.700 -0.045 0.000 2.548 930 S HA 0.027 4.496 4.470 -0.000 0.000 0.215 930 S C 0.913 175.524 174.600 0.019 0.000 0.976 930 S CA -0.143 58.054 58.200 -0.005 0.000 0.908 930 S CB 0.211 63.420 63.200 0.016 0.000 0.781 930 S HN -0.027 nan 8.310 nan 0.000 0.519 931 S N 2.128 117.817 115.700 -0.018 0.000 2.567 931 S HA 0.390 4.860 4.470 -0.000 0.000 0.262 931 S C -0.766 173.820 174.600 -0.025 0.000 1.237 931 S CA -0.665 57.531 58.200 -0.006 0.000 1.093 931 S CB -0.184 62.999 63.200 -0.028 0.000 1.095 931 S HN 0.643 nan 8.310 nan 0.000 0.489 932 E N 0.964 121.170 120.200 0.010 0.000 2.445 932 E HA 0.712 5.061 4.350 -0.000 0.000 0.279 932 E C -1.614 175.044 176.600 0.097 0.000 1.018 932 E CA -1.164 55.226 56.400 -0.017 0.000 0.816 932 E CB 1.396 31.015 29.700 -0.134 0.000 1.356 932 E HN 0.154 nan 8.360 nan 0.000 0.462 933 V N 1.397 121.340 119.914 0.049 0.000 2.686 933 V HA 0.483 4.602 4.120 -0.000 0.000 0.306 933 V C -0.779 175.323 176.094 0.015 0.000 1.065 933 V CA -0.623 61.730 62.300 0.089 0.000 0.894 933 V CB 1.620 33.457 31.823 0.024 0.000 1.004 933 V HN 0.611 nan 8.190 nan 0.000 0.424 934 I N 4.269 124.873 120.570 0.057 0.000 2.436 934 I HA 0.496 4.665 4.170 -0.000 0.000 0.289 934 I C -0.689 175.318 176.117 -0.184 0.000 1.010 934 I CA -0.918 60.318 61.300 -0.105 0.000 1.098 934 I CB 2.169 40.104 38.000 -0.110 0.000 1.266 934 I HN 0.267 nan 8.210 nan 0.000 0.434 935 V N 5.436 125.219 119.914 -0.219 0.000 2.439 935 V HA 0.256 4.376 4.120 -0.000 0.000 0.282 935 V C -0.577 175.363 176.094 -0.256 0.000 1.039 935 V CA -0.630 61.588 62.300 -0.136 0.000 0.913 935 V CB 0.974 32.778 31.823 -0.033 0.000 0.983 935 V HN 0.585 nan 8.190 nan 0.000 0.460 936 H N 2.765 121.841 119.070 0.009 0.000 2.581 936 H HA 0.407 4.963 4.556 -0.000 0.000 0.308 936 H C -0.005 175.313 175.328 -0.017 0.000 1.040 936 H CA -0.710 55.338 56.048 0.000 0.000 1.231 936 H CB 0.427 30.203 29.762 0.024 0.000 1.396 936 H HN 0.506 nan 8.280 nan 0.000 0.467 937 K N 1.954 122.355 120.400 0.001 0.000 2.550 937 K HA 0.179 4.499 4.320 -0.000 0.000 0.280 937 K C 0.478 177.040 176.600 -0.063 0.000 0.987 937 K CA 0.002 56.209 56.287 -0.133 0.000 1.048 937 K CB 0.460 32.697 32.500 -0.438 0.000 0.879 937 K HN 0.744 nan 8.250 nan 0.000 0.491 938 A N 3.214 126.035 122.820 0.001 0.000 2.346 938 A HA 0.118 4.438 4.320 -0.000 0.000 0.252 938 A C 0.524 178.226 177.584 0.196 0.000 1.089 938 A CA -0.119 51.996 52.037 0.131 0.000 0.797 938 A CB 0.347 19.480 19.000 0.223 0.000 1.047 938 A HN 0.911 nan 8.150 nan 0.000 0.494 939 M N 0.487 120.275 119.600 0.313 0.000 2.549 939 M HA 0.075 4.555 4.480 -0.000 0.000 0.273 939 M C 0.042 176.550 176.300 0.346 0.000 1.213 939 M CA 0.009 55.592 55.300 0.472 0.000 0.976 939 M CB -0.262 32.510 32.600 0.287 0.000 1.457 939 M HN 0.845 nan 8.290 nan 0.000 0.485 940 D N 0.845 121.455 120.400 0.350 0.000 2.162 940 D HA 0.076 4.716 4.640 -0.000 0.000 0.252 940 D C 1.035 177.507 176.300 0.287 0.000 1.095 940 D CA 0.984 55.156 54.000 0.286 0.000 0.928 940 D CB 0.536 41.490 40.800 0.256 0.000 0.989 940 D HN 0.241 nan 8.370 nan 0.000 0.401 941 I N 1.154 121.922 120.570 0.330 0.000 3.833 941 I HA 0.078 4.248 4.170 -0.000 0.000 0.328 941 I C 1.217 177.447 176.117 0.188 0.000 1.554 941 I CA 0.169 61.606 61.300 0.230 0.000 1.116 941 I CB 0.250 38.355 38.000 0.175 0.000 1.182 941 I HN 0.104 nan 8.210 nan 0.000 0.459 942 E N 0.276 120.594 120.200 0.196 0.000 2.502 942 E HA -0.101 4.248 4.350 -0.000 0.000 0.194 942 E C 1.207 177.779 176.600 -0.047 0.000 1.062 942 E CA 0.720 57.113 56.400 -0.012 0.000 0.867 942 E CB 0.358 30.005 29.700 -0.090 0.000 0.888 942 E HN 0.454 nan 8.360 nan 0.000 0.510 943 Y N 0.250 120.569 120.300 0.031 0.000 2.343 943 Y HA 0.100 4.650 4.550 -0.000 0.000 0.294 943 Y C 1.254 177.154 175.900 0.001 0.000 1.122 943 Y CA 0.316 58.428 58.100 0.019 0.000 1.173 943 Y CB 0.072 38.550 38.460 0.030 0.000 1.077 943 Y HN -0.108 nan 8.280 nan 0.000 0.542 944 N N 1.998 120.811 118.700 0.187 0.000 2.454 944 N HA -0.089 4.650 4.740 -0.000 0.000 0.285 944 N C -0.515 175.025 175.510 0.049 0.000 1.233 944 N CA -0.101 53.018 53.050 0.115 0.000 1.036 944 N CB 0.018 38.587 38.487 0.136 0.000 1.423 944 N HN 0.253 nan 8.380 nan 0.000 0.495 945 D N 2.347 122.725 120.400 -0.036 0.000 2.395 945 D HA 0.034 4.674 4.640 -0.000 0.000 0.213 945 D C 1.412 177.623 176.300 -0.148 0.000 1.110 945 D CA -0.096 53.804 54.000 -0.168 0.000 0.835 945 D CB 0.410 40.965 40.800 -0.408 0.000 0.965 945 D HN 0.490 nan 8.370 nan 0.000 0.505 946 M N -0.635 118.895 119.600 -0.116 0.000 2.255 946 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 946 M C 0.875 176.828 176.300 -0.579 0.000 1.069 946 M CA 2.070 57.177 55.300 -0.322 0.000 1.089 946 M CB -0.090 32.422 32.600 -0.147 0.000 1.269 946 M HN 0.022 nan 8.290 nan 0.000 0.434 947 F N -2.219 117.782 119.950 0.085 0.000 2.778 947 F HA 0.286 4.812 4.527 -0.000 0.000 0.314 947 F C 0.944 176.819 175.800 0.124 0.000 1.073 947 F CA -0.643 57.417 58.000 0.100 0.000 1.218 947 F CB -0.391 38.656 39.000 0.079 0.000 1.037 947 F HN 0.092 nan 8.300 nan 0.000 0.594 948 N N 0.818 119.678 118.700 0.267 0.000 2.229 948 N HA -0.008 4.732 4.740 -0.000 0.000 0.242 948 N C -0.440 175.238 175.510 0.279 0.000 1.327 948 N CA -0.057 53.132 53.050 0.232 0.000 0.896 948 N CB 0.167 38.767 38.487 0.189 0.000 1.129 948 N HN -0.017 nan 8.380 nan 0.000 0.490 949 N N -0.440 118.417 118.700 0.262 0.000 2.466 949 N HA 0.493 5.233 4.740 -0.000 0.000 0.294 949 N C -1.242 174.501 175.510 0.388 0.000 1.129 949 N CA -0.264 52.950 53.050 0.272 0.000 0.931 949 N CB 0.910 39.481 38.487 0.141 0.000 1.193 949 N HN 0.379 nan 8.380 nan 0.000 0.500 950 F N -2.239 117.735 119.950 0.039 0.000 2.713 950 F HA 0.675 5.201 4.527 -0.000 0.000 0.311 950 F C -0.891 174.888 175.800 -0.035 0.000 1.141 950 F CA -0.826 57.188 58.000 0.024 0.000 0.939 950 F CB 1.078 40.093 39.000 0.025 0.000 1.325 950 F HN 0.121 nan 8.300 nan 0.000 0.453 951 T N 1.675 116.202 114.554 -0.045 0.000 2.916 951 T HA 0.659 5.009 4.350 -0.000 0.000 0.298 951 T C -1.552 173.091 174.700 -0.094 0.000 1.031 951 T CA -0.610 61.368 62.100 -0.204 0.000 0.993 951 T CB 2.079 70.885 68.868 -0.104 0.000 1.045 951 T HN 0.629 nan 8.240 nan 0.000 0.454 952 V N 3.565 123.283 119.914 -0.327 0.000 2.448 952 V HA 0.729 4.849 4.120 -0.000 0.000 0.295 952 V C 0.033 175.960 176.094 -0.278 0.000 1.025 952 V CA -0.657 61.465 62.300 -0.297 0.000 0.859 952 V CB 1.647 33.234 31.823 -0.394 0.000 0.988 952 V HN 1.031 nan 8.190 nan 0.000 0.431 953 S N 4.971 120.552 115.700 -0.198 0.000 2.566 953 S HA 1.001 5.471 4.470 -0.000 0.000 0.298 953 S C -0.951 173.548 174.600 -0.167 0.000 1.083 953 S CA -0.633 57.364 58.200 -0.339 0.000 0.978 953 S CB 2.264 65.448 63.200 -0.025 0.000 1.073 953 S HN 1.206 nan 8.310 nan 0.000 0.491 954 F N -3.063 116.559 119.950 -0.546 0.000 2.767 954 F HA 0.548 5.075 4.527 -0.000 0.000 0.317 954 F C -2.141 173.576 175.800 -0.138 0.000 1.119 954 F CA -1.876 56.054 58.000 -0.117 0.000 0.971 954 F CB -0.173 38.936 39.000 0.181 0.000 1.251 954 F HN 0.658 nan 8.300 nan 0.000 0.450 955 W N 3.678 125.156 121.300 0.297 0.000 2.287 955 W HA 0.635 5.295 4.660 -0.001 0.000 0.313 955 W C -0.634 176.262 176.519 0.629 0.000 1.267 955 W CA -0.294 57.273 57.345 0.370 0.000 1.201 955 W CB 1.410 30.973 29.460 0.171 0.000 1.196 955 W HN 0.611 nan 8.180 nan 0.000 0.536 956 L N 4.261 125.946 121.223 0.769 0.000 2.354 956 L HA 0.672 5.012 4.340 -0.000 0.000 0.269 956 L C -0.789 176.316 176.870 0.392 0.000 1.005 956 L CA -1.422 53.789 54.840 0.618 0.000 0.819 956 L CB 1.744 44.043 42.059 0.401 0.000 1.311 956 L HN 0.491 nan 8.230 nan 0.000 0.423 957 R N 3.139 123.667 120.500 0.047 0.000 2.515 957 R HA 0.749 5.089 4.340 -0.000 0.000 0.278 957 R C -2.319 173.930 176.300 -0.085 0.000 1.107 957 R CA -0.502 55.436 56.100 -0.271 0.000 0.945 957 R CB 1.895 31.519 30.300 -1.127 0.000 1.219 957 R HN 0.531 nan 8.270 nan 0.000 0.434 958 V N 6.442 126.339 119.914 -0.029 0.000 2.686 958 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 958 V C -2.146 173.918 176.094 -0.050 0.000 1.065 958 V CA -1.911 60.390 62.300 0.003 0.000 0.894 958 V CB 2.494 34.356 31.823 0.065 0.000 1.004 958 V HN 0.751 nan 8.190 nan 0.000 0.424 959 P HA 0.119 nan 4.420 nan 0.000 0.272 959 P C -0.912 176.310 177.300 -0.130 0.000 1.240 959 P CA -0.544 62.466 63.100 -0.151 0.000 0.791 959 P CB 0.845 32.361 31.700 -0.306 0.000 0.978 960 K N 1.514 121.827 120.400 -0.145 0.000 2.402 960 K HA 0.150 4.470 4.320 -0.000 0.000 0.285 960 K C -0.473 175.990 176.600 -0.229 0.000 1.054 960 K CA -0.363 55.782 56.287 -0.237 0.000 1.001 960 K CB -0.101 32.061 32.500 -0.563 0.000 0.946 960 K HN 0.156 nan 8.250 nan 0.000 0.473 961 V N 4.654 124.483 119.914 -0.142 0.000 2.540 961 V HA -0.073 4.047 4.120 -0.000 0.000 0.297 961 V C 0.809 176.835 176.094 -0.112 0.000 1.024 961 V CA -0.062 62.194 62.300 -0.074 0.000 1.105 961 V CB 0.659 32.485 31.823 0.004 0.000 0.938 961 V HN 0.964 nan 8.190 nan 0.000 0.482 962 S N 4.804 120.437 115.700 -0.112 0.000 2.576 962 S HA 0.326 4.795 4.470 -0.000 0.000 0.272 962 S C 1.369 175.911 174.600 -0.097 0.000 1.352 962 S CA 0.054 58.142 58.200 -0.187 0.000 1.021 962 S CB 1.281 64.281 63.200 -0.334 0.000 0.887 962 S HN 1.077 nan 8.310 nan 0.000 0.542 963 A N 1.873 124.631 122.820 -0.104 0.000 1.930 963 A HA 0.015 4.334 4.320 -0.000 0.000 0.217 963 A C 2.496 180.081 177.584 0.001 0.000 1.175 963 A CA 1.751 53.781 52.037 -0.011 0.000 0.627 963 A CB -1.527 17.496 19.000 0.038 0.000 0.815 963 A HN 1.071 nan 8.150 nan 0.000 0.443 964 S N -0.711 114.958 115.700 -0.052 0.000 2.368 964 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 964 S C 1.799 176.442 174.600 0.071 0.000 1.030 964 S CA 1.653 59.837 58.200 -0.027 0.000 0.999 964 S CB -0.647 62.496 63.200 -0.094 0.000 0.844 964 S HN 0.782 nan 8.310 nan 0.000 0.459 965 H N -0.219 118.865 119.070 0.024 0.000 2.495 965 H HA 0.143 4.698 4.556 -0.000 0.000 0.287 965 H C 1.870 177.249 175.328 0.085 0.000 1.033 965 H CA 1.003 57.120 56.048 0.114 0.000 1.307 965 H CB 0.102 29.948 29.762 0.141 0.000 1.401 965 H HN 0.332 nan 8.280 nan 0.000 0.555 966 L N -0.007 121.304 121.223 0.148 0.000 2.202 966 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 966 L C 2.473 179.368 176.870 0.042 0.000 1.083 966 L CA 0.572 55.468 54.840 0.094 0.000 0.790 966 L CB -0.018 42.083 42.059 0.070 0.000 0.942 966 L HN 0.272 nan 8.230 nan 0.000 0.452 967 E N 0.321 120.534 120.200 0.022 0.000 2.077 967 E HA -0.278 4.071 4.350 -0.000 0.000 0.193 967 E C 2.087 178.637 176.600 -0.083 0.000 0.989 967 E CA 1.626 58.016 56.400 -0.017 0.000 0.800 967 E CB 0.161 29.853 29.700 -0.014 0.000 0.746 967 E HN 0.574 nan 8.360 nan 0.000 0.452 968 Q N -1.409 118.289 119.800 -0.170 0.000 2.297 968 Q HA -0.080 4.259 4.340 -0.000 0.000 0.203 968 Q C 0.572 176.232 176.000 -0.567 0.000 0.931 968 Q CA 0.744 56.294 55.803 -0.422 0.000 0.885 968 Q CB 0.103 28.465 28.738 -0.627 0.000 0.991 968 Q HN 0.340 nan 8.270 nan 0.000 0.498 969 Y N 0.410 120.714 120.300 0.007 0.000 2.660 969 Y HA 0.451 5.001 4.550 -0.000 0.000 0.254 969 Y C 1.860 177.775 175.900 0.025 0.000 1.176 969 Y CA -0.264 57.828 58.100 -0.013 0.000 1.195 969 Y CB 0.691 39.103 38.460 -0.080 0.000 1.190 969 Y HN 0.208 nan 8.280 nan 0.000 0.535 970 G N 0.152 109.021 108.800 0.115 0.000 2.498 970 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 970 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 970 G C 1.342 176.291 174.900 0.082 0.000 1.119 970 G CA 1.649 46.806 45.100 0.095 0.000 0.766 970 G HN 0.418 nan 8.290 nan 0.000 0.552 971 T N -2.813 111.785 114.554 0.074 0.000 3.129 971 T HA 0.226 4.576 4.350 -0.000 0.000 0.267 971 T C 0.449 175.197 174.700 0.081 0.000 1.018 971 T CA -0.531 61.605 62.100 0.060 0.000 0.903 971 T CB -0.075 68.814 68.868 0.035 0.000 1.067 971 T HN 0.246 nan 8.240 nan 0.000 0.549 972 N N 2.085 120.863 118.700 0.131 0.000 2.558 972 N HA 0.085 4.825 4.740 -0.000 0.000 0.233 972 N C -0.592 175.044 175.510 0.210 0.000 1.038 972 N CA -0.197 52.949 53.050 0.160 0.000 0.934 972 N CB 0.703 39.308 38.487 0.196 0.000 1.175 972 N HN 0.469 nan 8.380 nan 0.000 0.512 973 E N 3.725 123.999 120.200 0.123 0.000 2.290 973 E HA 0.020 4.370 4.350 -0.000 0.000 0.277 973 E C -1.228 175.442 176.600 0.117 0.000 1.035 973 E CA -0.292 56.147 56.400 0.065 0.000 0.873 973 E CB 0.438 30.145 29.700 0.012 0.000 1.029 973 E HN 0.548 nan 8.360 nan 0.000 0.419 974 Y N 0.753 121.046 120.300 -0.012 0.000 2.545 974 Y HA 0.579 5.129 4.550 -0.001 0.000 0.348 974 Y C -0.580 175.305 175.900 -0.024 0.000 1.002 974 Y CA -1.315 56.766 58.100 -0.032 0.000 1.039 974 Y CB 1.199 39.628 38.460 -0.053 0.000 1.271 974 Y HN 0.213 nan 8.280 nan 0.000 0.467 975 S N 1.238 116.953 115.700 0.025 0.000 2.617 975 S HA 0.563 5.032 4.470 -0.000 0.000 0.283 975 S C 0.527 175.130 174.600 0.004 0.000 1.189 975 S CA -0.430 57.743 58.200 -0.046 0.000 1.036 975 S CB 0.512 63.683 63.200 -0.049 0.000 1.014 975 S HN 0.807 nan 8.310 nan 0.000 0.522 976 I N 0.232 120.784 120.570 -0.029 0.000 4.398 976 I HA 0.548 4.717 4.170 -0.000 0.000 0.310 976 I C -0.415 175.661 176.117 -0.067 0.000 1.232 976 I CA 0.001 61.294 61.300 -0.011 0.000 1.312 976 I CB 0.331 38.343 38.000 0.020 0.000 1.347 976 I HN 0.319 nan 8.210 nan 0.000 0.454 977 I N 1.180 121.720 120.570 -0.050 0.000 2.499 977 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 977 I C -0.801 175.284 176.117 -0.054 0.000 1.048 977 I CA -0.526 60.733 61.300 -0.069 0.000 1.062 977 I CB 2.106 40.084 38.000 -0.037 0.000 1.238 977 I HN 0.070 nan 8.210 nan 0.000 0.426 978 S N 2.426 117.957 115.700 -0.281 0.000 2.546 978 S HA 0.513 4.983 4.470 -0.000 0.000 0.274 978 S C 0.055 174.171 174.600 -0.806 0.000 1.121 978 S CA -0.259 57.625 58.200 -0.527 0.000 0.887 978 S CB 1.797 64.789 63.200 -0.346 0.000 1.094 978 S HN 0.727 nan 8.310 nan 0.000 0.474 979 S N 3.715 118.710 115.700 -1.173 0.000 2.780 979 S HA 0.374 4.844 4.470 -0.000 0.000 0.248 979 S C 0.369 174.588 174.600 -0.635 0.000 1.036 979 S CA -0.487 57.133 58.200 -0.968 0.000 1.061 979 S CB -0.238 62.103 63.200 -1.431 0.000 1.037 979 S HN 0.664 nan 8.310 nan 0.000 0.584 980 M N 1.954 121.234 119.600 -0.534 0.000 2.232 980 M HA 0.256 4.736 4.480 -0.000 0.000 0.321 980 M C 0.203 176.307 176.300 -0.327 0.000 1.101 980 M CA 0.176 55.252 55.300 -0.373 0.000 1.181 980 M CB 0.299 32.713 32.600 -0.310 0.000 1.432 980 M HN 0.146 nan 8.290 nan 0.000 0.457 981 K N 2.195 122.399 120.400 -0.328 0.000 2.276 981 K HA 0.159 4.479 4.320 -0.000 0.000 0.285 981 K C -0.653 175.580 176.600 -0.610 0.000 1.062 981 K CA -0.418 55.631 56.287 -0.396 0.000 0.918 981 K CB 0.734 33.035 32.500 -0.332 0.000 1.055 981 K HN 0.330 nan 8.250 nan 0.000 0.477 982 K N 3.102 123.254 120.400 -0.415 0.000 2.298 982 K HA 0.140 4.459 4.320 -0.000 0.000 0.280 982 K C -0.992 175.400 176.600 -0.347 0.000 1.032 982 K CA -0.057 56.028 56.287 -0.338 0.000 0.958 982 K CB 0.491 32.878 32.500 -0.187 0.000 0.978 982 K HN 0.546 nan 8.250 nan 0.000 0.472 983 H N 0.838 119.877 119.070 -0.050 0.000 2.797 983 H HA 0.147 4.703 4.556 -0.000 0.000 0.372 983 H C 0.879 176.187 175.328 -0.033 0.000 1.168 983 H CA -0.258 55.768 56.048 -0.038 0.000 1.163 983 H CB 1.885 31.626 29.762 -0.035 0.000 1.778 983 H HN 0.754 nan 8.280 nan 0.000 0.551 984 S N 1.140 116.910 115.700 0.118 0.000 2.381 984 S HA -0.176 4.294 4.470 -0.000 0.000 0.230 984 S C 1.431 176.051 174.600 0.033 0.000 1.052 984 S CA 1.469 59.697 58.200 0.047 0.000 1.068 984 S CB -0.215 62.999 63.200 0.024 0.000 0.918 984 S HN 0.565 nan 8.310 nan 0.000 0.448 985 L N 0.941 122.188 121.223 0.041 0.000 2.858 985 L HA 0.382 4.722 4.340 -0.000 0.000 0.251 985 L C 0.452 177.341 176.870 0.033 0.000 1.149 985 L CA 0.049 54.903 54.840 0.024 0.000 0.955 985 L CB 0.468 42.532 42.059 0.008 0.000 1.289 985 L HN 0.552 nan 8.230 nan 0.000 0.542 986 S N -1.075 114.665 115.700 0.068 0.000 2.615 986 S HA 0.547 5.017 4.470 -0.000 0.000 0.268 986 S C -0.964 173.668 174.600 0.052 0.000 1.146 986 S CA -0.899 57.336 58.200 0.058 0.000 0.818 986 S CB 1.351 64.592 63.200 0.069 0.000 1.111 986 S HN -0.036 nan 8.310 nan 0.000 0.465 987 I N 1.968 122.532 120.570 -0.009 0.000 2.396 987 I HA 0.635 4.804 4.170 -0.000 0.000 0.292 987 I C 1.232 177.312 176.117 -0.061 0.000 0.999 987 I CA -0.007 61.234 61.300 -0.099 0.000 1.310 987 I CB 1.099 39.029 38.000 -0.117 0.000 1.404 987 I HN 0.968 nan 8.210 nan 0.000 0.496 988 G N 3.236 111.912 108.800 -0.206 0.000 2.975 988 G HA2 0.403 4.362 3.960 -0.000 0.000 0.159 988 G HA3 0.403 4.362 3.960 -0.000 0.000 0.159 988 G C -0.343 174.504 174.900 -0.090 0.000 1.525 988 G CA -0.374 44.692 45.100 -0.057 0.000 1.075 988 G HN 0.523 nan 8.290 nan 0.000 0.574 989 S N -1.217 114.442 115.700 -0.068 0.000 2.654 989 S HA 0.739 5.209 4.470 -0.000 0.000 0.283 989 S C 0.458 174.973 174.600 -0.143 0.000 1.180 989 S CA 0.408 58.561 58.200 -0.078 0.000 1.021 989 S CB 1.246 64.422 63.200 -0.039 0.000 1.018 989 S HN 1.565 nan 8.310 nan 0.000 0.532 990 G N 1.009 109.732 108.800 -0.128 0.000 2.291 990 G HA2 0.172 4.132 3.960 -0.000 0.000 0.249 990 G HA3 0.172 4.132 3.960 -0.000 0.000 0.249 990 G C -1.945 172.881 174.900 -0.122 0.000 1.340 990 G CA -0.383 44.597 45.100 -0.200 0.000 1.017 990 G HN 0.792 nan 8.290 nan 0.000 0.470 991 W N -0.360 120.838 121.300 -0.170 0.000 3.047 991 W HA 0.830 5.490 4.660 -0.000 0.000 0.341 991 W C -0.227 176.082 176.519 -0.350 0.000 1.225 991 W CA -0.586 56.551 57.345 -0.346 0.000 1.150 991 W CB 1.196 30.423 29.460 -0.387 0.000 1.470 991 W HN 1.610 nan 8.180 nan 0.000 0.578 992 S N -0.052 115.578 115.700 -0.117 0.000 2.550 992 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 992 S C -1.891 172.744 174.600 0.058 0.000 1.145 992 S CA -0.721 57.466 58.200 -0.022 0.000 0.852 992 S CB 1.976 65.076 63.200 -0.167 0.000 1.119 992 S HN 0.488 nan 8.310 nan 0.000 0.465 993 V N 2.737 122.802 119.914 0.252 0.000 2.417 993 V HA 0.869 4.989 4.120 -0.000 0.000 0.291 993 V C 0.023 176.181 176.094 0.107 0.000 1.024 993 V CA -0.017 62.470 62.300 0.310 0.000 0.861 993 V CB 1.216 33.303 31.823 0.440 0.000 0.985 993 V HN 1.226 nan 8.190 nan 0.000 0.436 994 S N 5.466 121.195 115.700 0.049 0.000 2.618 994 S HA 0.847 5.316 4.470 -0.000 0.000 0.277 994 S C -1.279 173.212 174.600 -0.182 0.000 1.138 994 S CA -0.849 57.286 58.200 -0.109 0.000 0.844 994 S CB 1.846 64.975 63.200 -0.118 0.000 1.127 994 S HN 0.423 nan 8.310 nan 0.000 0.474 995 L N 1.002 121.924 121.223 -0.502 0.000 2.333 995 L HA 0.711 5.051 4.340 -0.000 0.000 0.269 995 L C -0.374 176.222 176.870 -0.457 0.000 1.010 995 L CA -0.636 53.913 54.840 -0.486 0.000 0.818 995 L CB 2.070 43.764 42.059 -0.609 0.000 1.306 995 L HN 0.877 nan 8.230 nan 0.000 0.430 996 K N 1.620 121.934 120.400 -0.144 0.000 2.731 996 K HA 0.455 4.774 4.320 -0.000 0.000 0.257 996 K C 0.151 176.785 176.600 0.057 0.000 1.032 996 K CA 0.295 56.582 56.287 -0.001 0.000 0.983 996 K CB 1.090 33.590 32.500 0.000 0.000 1.248 996 K HN 0.767 nan 8.250 nan 0.000 0.484 997 G N 3.848 112.727 108.800 0.132 0.000 2.629 997 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.313 997 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.313 997 G C 0.034 174.980 174.900 0.077 0.000 1.217 997 G CA 0.491 45.657 45.100 0.110 0.000 0.994 997 G HN 0.735 nan 8.290 nan 0.000 0.549 998 N N 2.263 120.988 118.700 0.042 0.000 2.546 998 N HA 0.264 5.004 4.740 -0.000 0.000 0.286 998 N C -0.655 174.852 175.510 -0.005 0.000 1.259 998 N CA -0.250 52.817 53.050 0.028 0.000 0.939 998 N CB 0.068 38.563 38.487 0.014 0.000 1.243 998 N HN 0.364 nan 8.380 nan 0.000 0.511 999 N N 1.210 119.914 118.700 0.007 0.000 2.269 999 N HA 0.324 5.063 4.740 -0.000 0.000 0.304 999 N C -1.490 174.055 175.510 0.059 0.000 1.072 999 N CA -0.571 52.475 53.050 -0.007 0.000 0.802 999 N CB 2.751 41.227 38.487 -0.018 0.000 1.348 999 N HN 0.036 nan 8.380 nan 0.000 0.484 1000 L N 2.380 123.695 121.223 0.152 0.000 2.333 1000 L HA 0.634 4.973 4.340 -0.000 0.000 0.280 1000 L C -1.357 175.621 176.870 0.180 0.000 1.004 1000 L CA -0.401 54.548 54.840 0.182 0.000 0.820 1000 L CB 0.914 43.132 42.059 0.266 0.000 1.247 1000 L HN 0.460 nan 8.230 nan 0.000 0.416 1001 I N 5.170 125.824 120.570 0.141 0.000 2.466 1001 I HA 0.319 4.488 4.170 -0.000 0.000 0.289 1001 I C -1.202 175.060 176.117 0.241 0.000 1.026 1001 I CA -0.294 61.099 61.300 0.154 0.000 1.078 1001 I CB 1.689 39.730 38.000 0.068 0.000 1.249 1001 I HN 0.656 nan 8.210 nan 0.000 0.429 1002 W N 6.723 128.060 121.300 0.061 0.000 2.433 1002 W HA 0.589 5.249 4.660 -0.001 0.000 0.315 1002 W C -1.004 175.571 176.519 0.093 0.000 1.087 1002 W CA -0.516 56.879 57.345 0.083 0.000 1.205 1002 W CB 1.837 31.318 29.460 0.035 0.000 1.288 1002 W HN 0.485 nan 8.180 nan 0.000 0.504 1003 T N 6.785 120.912 114.554 -0.712 0.000 2.881 1003 T HA 0.596 4.946 4.350 -0.000 0.000 0.290 1003 T C -1.344 173.027 174.700 -0.548 0.000 1.000 1003 T CA -0.557 61.260 62.100 -0.471 0.000 0.978 1003 T CB 0.934 69.686 68.868 -0.193 0.000 0.997 1003 T HN 0.425 nan 8.240 nan 0.000 0.443 1004 L N 4.160 125.237 121.223 -0.243 0.000 2.346 1004 L HA 0.672 5.012 4.340 -0.000 0.000 0.276 1004 L C -0.194 176.668 176.870 -0.014 0.000 1.006 1004 L CA -0.971 53.839 54.840 -0.050 0.000 0.817 1004 L CB 2.103 44.237 42.059 0.125 0.000 1.272 1004 L HN 0.563 nan 8.230 nan 0.000 0.421 1005 K N 2.176 122.571 120.400 -0.009 0.000 2.443 1005 K HA 0.349 4.668 4.320 -0.000 0.000 0.252 1005 K C -1.439 175.160 176.600 -0.001 0.000 0.933 1005 K CA -0.664 55.616 56.287 -0.012 0.000 0.792 1005 K CB 2.058 34.533 32.500 -0.042 0.000 1.185 1005 K HN 0.662 nan 8.250 nan 0.000 0.425 1006 D N 1.294 121.699 120.400 0.008 0.000 2.432 1006 D HA 0.094 4.734 4.640 -0.000 0.000 0.258 1006 D C 0.414 176.713 176.300 -0.002 0.000 1.146 1006 D CA -0.484 53.514 54.000 -0.003 0.000 1.015 1006 D CB 1.140 41.947 40.800 0.011 0.000 1.107 1006 D HN 0.272 nan 8.370 nan 0.000 0.529 1007 S N -1.138 114.558 115.700 -0.008 0.000 2.507 1007 S HA 0.014 4.484 4.470 -0.000 0.000 0.235 1007 S C 1.466 176.078 174.600 0.021 0.000 0.988 1007 S CA 0.738 58.944 58.200 0.011 0.000 0.944 1007 S CB -0.398 62.807 63.200 0.008 0.000 0.762 1007 S HN 0.617 nan 8.310 nan 0.000 0.526 1008 A N -0.151 122.683 122.820 0.024 0.000 2.308 1008 A HA 0.552 4.872 4.320 -0.000 0.000 0.217 1008 A C 1.482 179.079 177.584 0.022 0.000 1.216 1008 A CA 0.562 52.615 52.037 0.026 0.000 0.864 1008 A CB -0.380 18.642 19.000 0.037 0.000 0.902 1008 A HN 0.740 nan 8.150 nan 0.000 0.499 1009 G N -0.215 108.597 108.800 0.019 0.000 2.141 1009 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.242 1009 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.242 1009 G C 0.002 174.910 174.900 0.014 0.000 0.982 1009 G CA 0.418 45.527 45.100 0.014 0.000 0.662 1009 G HN 0.797 nan 8.290 nan 0.000 0.527 1010 E N -0.011 120.201 120.200 0.020 0.000 2.354 1010 E HA 0.537 4.887 4.350 -0.000 0.000 0.269 1010 E C -0.023 176.590 176.600 0.021 0.000 1.036 1010 E CA -0.504 55.910 56.400 0.024 0.000 0.876 1010 E CB 1.096 30.817 29.700 0.035 0.000 1.009 1010 E HN 0.200 nan 8.360 nan 0.000 0.416 1011 V N 5.358 125.283 119.914 0.019 0.000 2.540 1011 V HA 0.501 4.620 4.120 -0.000 0.000 0.302 1011 V C -0.378 175.731 176.094 0.026 0.000 1.035 1011 V CA -0.915 61.393 62.300 0.013 0.000 0.873 1011 V CB 1.662 33.486 31.823 0.000 0.000 0.992 1011 V HN 0.657 nan 8.190 nan 0.000 0.428 1012 R N 3.144 123.663 120.500 0.032 0.000 2.637 1012 R HA 0.719 5.059 4.340 -0.000 0.000 0.291 1012 R C -0.899 175.428 176.300 0.044 0.000 0.963 1012 R CA -0.761 55.371 56.100 0.054 0.000 0.901 1012 R CB 1.976 32.329 30.300 0.089 0.000 1.160 1012 R HN 0.802 nan 8.270 nan 0.000 0.457 1013 Q N 1.807 121.646 119.800 0.065 0.000 2.268 1013 Q HA 0.471 4.811 4.340 -0.000 0.000 0.266 1013 Q C -1.268 174.799 176.000 0.112 0.000 1.006 1013 Q CA -0.398 55.447 55.803 0.070 0.000 0.824 1013 Q CB 1.974 30.732 28.738 0.033 0.000 1.306 1013 Q HN 0.564 nan 8.270 nan 0.000 0.424 1014 I N 2.353 123.033 120.570 0.183 0.000 2.336 1014 I HA 0.373 4.542 4.170 -0.000 0.000 0.292 1014 I C -0.302 175.903 176.117 0.147 0.000 0.991 1014 I CA -0.305 61.087 61.300 0.154 0.000 1.227 1014 I CB 1.993 40.089 38.000 0.160 0.000 1.366 1014 I HN 0.465 nan 8.210 nan 0.000 0.466 1015 T N 6.656 121.274 114.554 0.108 0.000 2.772 1015 T HA 0.342 4.692 4.350 -0.000 0.000 0.288 1015 T C -0.726 174.051 174.700 0.129 0.000 0.994 1015 T CA -0.278 61.883 62.100 0.102 0.000 0.951 1015 T CB 0.423 69.321 68.868 0.051 0.000 0.933 1015 T HN 0.225 nan 8.240 nan 0.000 0.447 1016 F N 4.383 124.337 119.950 0.007 0.000 2.404 1016 F HA 0.492 5.019 4.527 -0.000 0.000 0.354 1016 F C 0.406 176.214 175.800 0.013 0.000 1.122 1016 F CA -1.396 56.598 58.000 -0.009 0.000 1.080 1016 F CB 0.639 39.616 39.000 -0.039 0.000 1.131 1016 F HN 0.335 nan 8.300 nan 0.000 0.471 1017 R N 5.508 125.515 120.500 -0.823 0.000 2.230 1017 R HA 0.132 4.471 4.340 -0.000 0.000 0.337 1017 R C -0.406 175.292 176.300 -1.003 0.000 1.063 1017 R CA -0.565 55.135 56.100 -0.668 0.000 0.935 1017 R CB 0.064 30.165 30.300 -0.331 0.000 1.121 1017 R HN 0.724 nan 8.270 nan 0.000 0.486 1018 D N 2.978 122.955 120.400 -0.706 0.000 2.370 1018 D HA -0.036 4.604 4.640 -0.000 0.000 0.235 1018 D C 0.140 176.362 176.300 -0.131 0.000 1.228 1018 D CA 0.226 54.048 54.000 -0.296 0.000 0.884 1018 D CB 0.750 41.569 40.800 0.032 0.000 1.201 1018 D HN 0.420 nan 8.370 nan 0.000 0.456 1019 L N 2.733 123.986 121.223 0.051 0.000 2.417 1019 L HA 0.183 4.523 4.340 -0.000 0.000 0.268 1019 L C -1.010 175.848 176.870 -0.021 0.000 1.158 1019 L CA -1.305 53.557 54.840 0.036 0.000 0.819 1019 L CB 0.878 42.978 42.059 0.068 0.000 1.112 1019 L HN 0.440 nan 8.230 nan 0.000 0.458 1020 P HA -0.097 nan 4.420 nan 0.000 0.225 1020 P C 0.027 177.091 177.300 -0.394 0.000 1.156 1020 P CA 0.684 63.709 63.100 -0.125 0.000 0.787 1020 P CB 0.140 31.831 31.700 -0.015 0.000 0.802 1021 D N 0.681 120.843 120.400 -0.398 0.000 2.365 1021 D HA 0.044 4.684 4.640 -0.000 0.000 0.237 1021 D C 1.047 177.312 176.300 -0.057 0.000 1.190 1021 D CA -0.216 53.512 54.000 -0.453 0.000 0.867 1021 D CB 0.691 41.399 40.800 -0.153 0.000 1.050 1021 D HN -0.287 nan 8.370 nan 0.000 0.491 1022 K N 3.129 123.571 120.400 0.070 0.000 2.283 1022 K HA -0.098 4.221 4.320 -0.000 0.000 0.202 1022 K C 1.531 178.371 176.600 0.400 0.000 1.048 1022 K CA 0.307 56.704 56.287 0.183 0.000 0.948 1022 K CB -0.383 32.144 32.500 0.046 0.000 0.742 1022 K HN 0.503 nan 8.250 nan 0.000 0.458 1023 F N 1.852 121.994 119.950 0.320 0.000 2.293 1023 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 1023 F C 1.064 176.940 175.800 0.128 0.000 1.086 1023 F CA 1.067 59.230 58.000 0.272 0.000 1.375 1023 F CB 0.281 39.408 39.000 0.212 0.000 1.045 1023 F HN 0.038 nan 8.300 nan 0.000 0.516 1024 N N 0.175 119.015 118.700 0.235 0.000 2.187 1024 N HA 0.249 4.988 4.740 -0.000 0.000 0.212 1024 N C 0.072 175.482 175.510 -0.167 0.000 1.152 1024 N CA 0.428 53.507 53.050 0.049 0.000 0.872 1024 N CB 0.471 39.029 38.487 0.119 0.000 1.025 1024 N HN 0.155 nan 8.380 nan 0.000 0.514 1025 A N -0.328 122.425 122.820 -0.112 0.000 2.252 1025 A HA 0.457 4.777 4.320 -0.000 0.000 0.305 1025 A C 0.259 177.701 177.584 -0.236 0.000 1.097 1025 A CA -0.224 51.698 52.037 -0.192 0.000 0.849 1025 A CB 0.437 19.432 19.000 -0.009 0.000 1.142 1025 A HN 0.129 nan 8.150 nan 0.000 0.499 1026 Y N -0.730 119.664 120.300 0.158 0.000 2.503 1026 Y HA 0.247 4.797 4.550 -0.000 0.000 0.277 1026 Y C 0.602 176.584 175.900 0.136 0.000 1.102 1026 Y CA 0.564 58.749 58.100 0.141 0.000 1.261 1026 Y CB 0.177 38.728 38.460 0.152 0.000 1.096 1026 Y HN 0.323 nan 8.280 nan 0.000 0.546 1027 L N 0.434 121.820 121.223 0.271 0.000 2.603 1027 L HA 0.610 4.950 4.340 -0.000 0.000 0.242 1027 L C 0.112 177.047 176.870 0.108 0.000 1.169 1027 L CA -0.324 54.626 54.840 0.182 0.000 1.029 1027 L CB 0.360 42.525 42.059 0.178 0.000 1.361 1027 L HN 0.030 nan 8.230 nan 0.000 0.439 1028 A N 1.697 124.582 122.820 0.110 0.000 3.066 1028 A HA 0.235 4.554 4.320 -0.000 0.000 0.194 1028 A C 0.615 178.319 177.584 0.199 0.000 0.972 1028 A CA -0.205 51.895 52.037 0.106 0.000 1.183 1028 A CB -0.128 18.944 19.000 0.120 0.000 1.269 1028 A HN 0.683 nan 8.150 nan 0.000 0.567 1029 N N -0.639 118.116 118.700 0.092 0.000 2.993 1029 N HA -0.132 4.608 4.740 -0.000 0.000 0.207 1029 N C -0.331 175.236 175.510 0.096 0.000 0.916 1029 N CA 1.047 54.089 53.050 -0.013 0.000 1.033 1029 N CB -0.667 37.701 38.487 -0.198 0.000 1.028 1029 N HN 0.684 nan 8.380 nan 0.000 0.565 1030 K N 0.151 120.666 120.400 0.193 0.000 2.156 1030 K HA 0.263 4.582 4.320 -0.000 0.000 0.250 1030 K C -0.651 176.066 176.600 0.195 0.000 0.955 1030 K CA -0.579 55.851 56.287 0.238 0.000 0.855 1030 K CB 0.794 33.429 32.500 0.225 0.000 1.101 1030 K HN 0.060 nan 8.250 nan 0.000 0.434 1031 W N 2.367 123.887 121.300 0.366 0.000 2.347 1031 W HA 0.115 4.775 4.660 -0.000 0.000 0.333 1031 W C 0.253 177.162 176.519 0.650 0.000 1.383 1031 W CA -0.363 57.262 57.345 0.467 0.000 1.283 1031 W CB 0.396 30.052 29.460 0.328 0.000 1.253 1031 W HN 0.242 nan 8.180 nan 0.000 0.563 1032 V N 2.323 122.730 119.914 0.822 0.000 2.876 1032 V HA 0.552 4.671 4.120 -0.000 0.000 0.312 1032 V C -1.204 174.941 176.094 0.085 0.000 1.085 1032 V CA -1.544 61.041 62.300 0.476 0.000 0.945 1032 V CB 1.792 33.799 31.823 0.306 0.000 1.017 1032 V HN 0.285 nan 8.190 nan 0.000 0.428 1033 F N 5.091 124.637 119.950 -0.673 0.000 2.405 1033 F HA 0.744 5.270 4.527 -0.001 0.000 0.355 1033 F C -0.253 175.038 175.800 -0.848 0.000 1.121 1033 F CA -1.467 55.814 58.000 -1.198 0.000 1.112 1033 F CB 0.966 39.010 39.000 -1.592 0.000 1.126 1033 F HN 0.412 nan 8.300 nan 0.000 0.481 1034 I N 5.052 124.748 120.570 -1.456 0.000 2.377 1034 I HA 0.335 4.505 4.170 -0.000 0.000 0.293 1034 I C -0.045 175.214 176.117 -1.429 0.000 0.987 1034 I CA -0.365 60.160 61.300 -1.291 0.000 1.185 1034 I CB 1.434 38.494 38.000 -1.567 0.000 1.341 1034 I HN 0.628 nan 8.210 nan 0.000 0.455 1035 T N 4.433 118.423 114.554 -0.940 0.000 2.921 1035 T HA 0.773 5.123 4.350 -0.000 0.000 0.297 1035 T C -0.882 173.512 174.700 -0.511 0.000 1.013 1035 T CA -0.550 61.120 62.100 -0.716 0.000 0.990 1035 T CB 1.601 70.100 68.868 -0.615 0.000 1.023 1035 T HN 0.200 nan 8.240 nan 0.000 0.447 1036 I N 3.239 123.463 120.570 -0.576 0.000 2.465 1036 I HA 0.543 4.713 4.170 -0.000 0.000 0.291 1036 I C 0.533 176.265 176.117 -0.642 0.000 1.014 1036 I CA -0.549 60.343 61.300 -0.679 0.000 1.093 1036 I CB 2.468 39.683 38.000 -1.308 0.000 1.267 1036 I HN 0.922 nan 8.210 nan 0.000 0.431 1037 T N 1.836 116.109 114.554 -0.468 0.000 2.823 1037 T HA 0.571 4.921 4.350 -0.000 0.000 0.279 1037 T C -0.518 173.906 174.700 -0.460 0.000 0.998 1037 T CA -0.918 60.927 62.100 -0.425 0.000 0.994 1037 T CB 1.011 69.738 68.868 -0.234 0.000 0.960 1037 T HN 0.482 nan 8.240 nan 0.000 0.448 1038 N N 2.887 121.237 118.700 -0.583 0.000 2.442 1038 N HA 0.274 5.014 4.740 -0.000 0.000 0.274 1038 N C -1.668 173.725 175.510 -0.195 0.000 1.002 1038 N CA -0.578 52.219 53.050 -0.421 0.000 0.910 1038 N CB 2.177 40.288 38.487 -0.627 0.000 1.244 1038 N HN 0.759 nan 8.380 nan 0.000 0.492 1039 D N 1.781 122.137 120.400 -0.074 0.000 2.392 1039 D HA 0.203 4.843 4.640 -0.000 0.000 0.228 1039 D C 0.816 177.148 176.300 0.054 0.000 1.074 1039 D CA -0.465 53.535 54.000 -0.000 0.000 0.838 1039 D CB 0.883 41.675 40.800 -0.013 0.000 1.067 1039 D HN 0.180 nan 8.370 nan 0.000 0.511 1040 R N 3.174 123.739 120.500 0.109 0.000 2.316 1040 R HA 0.078 4.418 4.340 -0.000 0.000 0.202 1040 R C 1.230 177.598 176.300 0.113 0.000 1.029 1040 R CA 0.243 56.428 56.100 0.142 0.000 1.018 1040 R CB -0.130 30.292 30.300 0.203 0.000 0.888 1040 R HN 0.564 nan 8.270 nan 0.000 0.471 1041 L N 0.222 121.495 121.223 0.083 0.000 2.567 1041 L HA 0.003 4.343 4.340 -0.000 0.000 0.225 1041 L C 1.496 178.394 176.870 0.046 0.000 1.119 1041 L CA 0.415 55.294 54.840 0.064 0.000 0.871 1041 L CB 0.136 42.227 42.059 0.054 0.000 1.036 1041 L HN 0.205 nan 8.230 nan 0.000 0.459 1042 S N -3.322 112.402 115.700 0.040 0.000 3.830 1042 S HA 0.309 4.779 4.470 -0.000 0.000 0.172 1042 S C 0.343 174.957 174.600 0.023 0.000 0.966 1042 S CA -0.373 57.842 58.200 0.025 0.000 1.124 1042 S CB 0.955 64.160 63.200 0.009 0.000 1.697 1042 S HN -0.013 nan 8.310 nan 0.000 0.872 1043 S N 0.454 116.157 115.700 0.004 0.000 2.634 1043 S HA 0.876 5.345 4.470 -0.000 0.000 0.296 1043 S C -0.844 173.740 174.600 -0.027 0.000 1.104 1043 S CA -0.271 57.925 58.200 -0.006 0.000 0.920 1043 S CB 1.657 64.840 63.200 -0.029 0.000 1.111 1043 S HN 0.992 nan 8.310 nan 0.000 0.493 1044 A N 2.389 125.198 122.820 -0.019 0.000 2.292 1044 A HA 0.690 5.010 4.320 -0.000 0.000 0.319 1044 A C -0.526 176.980 177.584 -0.130 0.000 1.206 1044 A CA -0.655 51.342 52.037 -0.066 0.000 0.835 1044 A CB 0.201 19.250 19.000 0.082 0.000 1.164 1044 A HN 0.700 nan 8.150 nan 0.000 0.505 1045 N N 1.572 120.140 118.700 -0.220 0.000 2.354 1045 N HA 0.427 5.167 4.740 -0.000 0.000 0.287 1045 N C -1.671 173.637 175.510 -0.338 0.000 1.016 1045 N CA -0.375 52.522 53.050 -0.256 0.000 0.871 1045 N CB 2.129 40.525 38.487 -0.153 0.000 1.299 1045 N HN 0.593 nan 8.380 nan 0.000 0.482 1046 L N 3.527 124.494 121.223 -0.426 0.000 2.287 1046 L HA 0.520 4.860 4.340 -0.000 0.000 0.287 1046 L C -1.574 174.968 176.870 -0.546 0.000 1.022 1046 L CA -0.384 54.208 54.840 -0.414 0.000 0.814 1046 L CB 0.322 42.194 42.059 -0.313 0.000 1.217 1046 L HN 0.350 nan 8.230 nan 0.000 0.420 1047 Y N 5.088 125.113 120.300 -0.457 0.000 2.468 1047 Y HA 0.679 5.229 4.550 -0.000 0.000 0.342 1047 Y C -0.229 175.309 175.900 -0.604 0.000 1.021 1047 Y CA -0.857 56.959 58.100 -0.473 0.000 1.079 1047 Y CB 1.777 39.997 38.460 -0.400 0.000 1.226 1047 Y HN 0.382 nan 8.280 nan 0.000 0.460 1048 I N 2.782 123.048 120.570 -0.506 0.000 2.468 1048 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 1048 I C -0.707 175.070 176.117 -0.567 0.000 1.039 1048 I CA -0.822 60.087 61.300 -0.651 0.000 1.074 1048 I CB 1.428 38.845 38.000 -0.972 0.000 1.228 1048 I HN 0.694 nan 8.210 nan 0.000 0.436 1049 N N 4.803 123.117 118.700 -0.643 0.000 2.735 1049 N HA -0.186 4.553 4.740 -0.000 0.000 0.248 1049 N C 0.885 175.978 175.510 -0.695 0.000 1.083 1049 N CA 1.425 53.906 53.050 -0.949 0.000 0.703 1049 N CB -1.013 37.257 38.487 -0.362 0.000 1.005 1049 N HN 1.173 nan 8.380 nan 0.000 0.550 1050 G N -3.070 105.445 108.800 -0.474 0.000 2.184 1050 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.264 1050 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.264 1050 G C 0.019 174.935 174.900 0.027 0.000 0.975 1050 G CA 0.474 45.496 45.100 -0.131 0.000 0.642 1050 G HN 0.551 nan 8.290 nan 0.000 0.536 1051 V N 1.219 121.111 119.914 -0.036 0.000 2.513 1051 V HA 0.650 4.770 4.120 -0.000 0.000 0.299 1051 V C 0.499 176.503 176.094 -0.151 0.000 1.035 1051 V CA -1.013 61.270 62.300 -0.028 0.000 0.889 1051 V CB 1.766 33.546 31.823 -0.072 0.000 0.988 1051 V HN 0.366 nan 8.190 nan 0.000 0.440 1052 L N 5.930 127.023 121.223 -0.217 0.000 2.477 1052 L HA 0.210 4.549 4.340 -0.000 0.000 0.272 1052 L C 0.759 177.411 176.870 -0.363 0.000 1.157 1052 L CA 1.050 55.593 54.840 -0.494 0.000 0.889 1052 L CB 0.482 42.298 42.059 -0.404 0.000 1.158 1052 L HN 0.630 nan 8.230 nan 0.000 0.473 1053 M N 3.524 122.866 119.600 -0.429 0.000 2.338 1053 M HA 0.439 4.919 4.480 -0.000 0.000 0.276 1053 M C 0.684 176.913 176.300 -0.118 0.000 1.057 1053 M CA 0.331 55.462 55.300 -0.282 0.000 1.079 1053 M CB 0.491 32.733 32.600 -0.597 0.000 1.547 1053 M HN 0.653 nan 8.290 nan 0.000 0.549 1054 G N 0.452 109.133 108.800 -0.199 0.000 2.411 1054 G HA2 0.483 4.443 3.960 -0.000 0.000 0.295 1054 G HA3 0.483 4.443 3.960 -0.000 0.000 0.295 1054 G C -1.261 173.551 174.900 -0.146 0.000 1.542 1054 G CA -0.372 44.666 45.100 -0.103 0.000 0.814 1054 G HN 0.199 nan 8.290 nan 0.000 0.557 1055 S N -1.084 114.564 115.700 -0.087 0.000 2.776 1055 S HA 1.003 5.473 4.470 -0.000 0.000 0.292 1055 S C -0.536 174.055 174.600 -0.016 0.000 1.187 1055 S CA -0.377 57.777 58.200 -0.077 0.000 0.834 1055 S CB 1.718 64.852 63.200 -0.110 0.000 1.199 1055 S HN 2.551 nan 8.310 nan 0.000 0.514 1056 A N 0.508 123.328 122.820 0.000 0.000 2.547 1056 A HA 0.644 4.964 4.320 -0.000 0.000 0.298 1056 A C -1.360 176.242 177.584 0.030 0.000 1.062 1056 A CA -0.711 51.343 52.037 0.028 0.000 0.748 1056 A CB 0.919 19.958 19.000 0.065 0.000 1.288 1056 A HN 0.553 nan 8.150 nan 0.000 0.396 1057 E N 1.424 121.640 120.200 0.027 0.000 2.413 1057 E HA 0.263 4.613 4.350 -0.000 0.000 0.263 1057 E C 0.757 177.388 176.600 0.051 0.000 1.015 1057 E CA 0.332 56.751 56.400 0.032 0.000 0.916 1057 E CB 0.636 30.352 29.700 0.028 0.000 0.947 1057 E HN 0.832 nan 8.360 nan 0.000 0.440 1058 I N -2.067 118.540 120.570 0.061 0.000 4.160 1058 I HA 0.123 4.292 4.170 -0.000 0.000 0.325 1058 I C 0.237 176.406 176.117 0.087 0.000 1.455 1058 I CA -0.582 60.767 61.300 0.083 0.000 1.142 1058 I CB 0.513 38.578 38.000 0.109 0.000 1.262 1058 I HN 0.125 nan 8.210 nan 0.000 0.483 1059 T N -0.316 114.281 114.554 0.072 0.000 2.932 1059 T HA 0.436 4.785 4.350 -0.000 0.000 0.312 1059 T C 1.284 176.030 174.700 0.077 0.000 1.071 1059 T CA 0.428 62.573 62.100 0.075 0.000 1.128 1059 T CB 1.058 69.960 68.868 0.057 0.000 0.984 1059 T HN 0.856 nan 8.240 nan 0.000 0.549 1060 G N 1.442 110.295 108.800 0.089 0.000 2.143 1060 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.249 1060 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.249 1060 G C -0.080 174.877 174.900 0.096 0.000 0.981 1060 G CA -0.158 44.993 45.100 0.085 0.000 0.665 1060 G HN 0.797 nan 8.290 nan 0.000 0.528 1061 L N 0.670 121.961 121.223 0.114 0.000 2.312 1061 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 1061 L C 1.643 178.599 176.870 0.144 0.000 1.070 1061 L CA -0.068 54.837 54.840 0.109 0.000 0.805 1061 L CB 1.180 43.303 42.059 0.105 0.000 1.174 1061 L HN 0.228 nan 8.230 nan 0.000 0.434 1062 G N 1.842 110.715 108.800 0.121 0.000 2.803 1062 G HA2 0.393 4.352 3.960 -0.000 0.000 0.177 1062 G HA3 0.393 4.352 3.960 -0.000 0.000 0.177 1062 G C -0.155 174.735 174.900 -0.016 0.000 1.629 1062 G CA 0.026 45.231 45.100 0.174 0.000 1.077 1062 G HN 0.722 nan 8.290 nan 0.000 0.556 1063 A N -0.974 121.768 122.820 -0.130 0.000 2.401 1063 A HA 0.535 4.855 4.320 -0.000 0.000 0.259 1063 A C -0.723 176.680 177.584 -0.303 0.000 1.103 1063 A CA -0.175 51.553 52.037 -0.515 0.000 0.789 1063 A CB 0.447 19.306 19.000 -0.235 0.000 1.035 1063 A HN 0.286 nan 8.150 nan 0.000 0.491 1064 I N 3.113 123.466 120.570 -0.361 0.000 2.442 1064 I HA 0.198 4.368 4.170 -0.000 0.000 0.279 1064 I C 0.274 176.307 176.117 -0.140 0.000 1.081 1064 I CA 0.027 61.221 61.300 -0.177 0.000 1.197 1064 I CB 0.517 38.439 38.000 -0.130 0.000 1.394 1064 I HN 0.535 nan 8.210 nan 0.000 0.488 1065 R N 5.168 125.614 120.500 -0.091 0.000 2.419 1065 R HA 0.254 4.593 4.340 -0.000 0.000 0.305 1065 R C 0.482 176.750 176.300 -0.054 0.000 1.242 1065 R CA -0.235 55.839 56.100 -0.043 0.000 1.105 1065 R CB 0.619 30.917 30.300 -0.003 0.000 1.116 1065 R HN 0.550 nan 8.270 nan 0.000 0.523 1066 E N 1.304 121.462 120.200 -0.071 0.000 4.472 1066 E HA -0.116 4.234 4.350 -0.000 0.000 0.578 1066 E C -0.094 176.427 176.600 -0.132 0.000 0.804 1066 E CA 0.492 56.810 56.400 -0.137 0.000 3.893 1066 E CB 0.265 29.880 29.700 -0.141 0.000 2.177 1066 E HN 0.396 nan 8.360 nan 0.000 0.334 1067 D N -1.123 119.181 120.400 -0.160 0.000 2.738 1067 D HA 0.042 4.681 4.640 -0.000 0.000 0.237 1067 D C -0.346 175.911 176.300 -0.072 0.000 1.123 1067 D CA -0.502 53.429 54.000 -0.116 0.000 0.856 1067 D CB 0.686 41.378 40.800 -0.180 0.000 1.552 1067 D HN 0.434 nan 8.370 nan 0.000 0.480 1068 N N 1.885 120.597 118.700 0.020 0.000 2.635 1068 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 1068 N C -0.490 174.994 175.510 -0.044 0.000 1.155 1068 N CA 0.138 53.211 53.050 0.037 0.000 0.927 1068 N CB -0.311 38.335 38.487 0.264 0.000 0.976 1068 N HN 0.261 nan 8.380 nan 0.000 0.448 1069 N N 0.491 119.135 118.700 -0.093 0.000 2.314 1069 N HA 0.400 5.140 4.740 -0.000 0.000 0.294 1069 N C -1.321 174.058 175.510 -0.217 0.000 1.029 1069 N CA -0.647 52.303 53.050 -0.167 0.000 0.845 1069 N CB 2.088 40.461 38.487 -0.190 0.000 1.321 1069 N HN 0.006 nan 8.380 nan 0.000 0.481 1070 I N 1.723 122.167 120.570 -0.209 0.000 2.315 1070 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 1070 I C -0.127 175.837 176.117 -0.256 0.000 1.006 1070 I CA -0.131 61.036 61.300 -0.221 0.000 1.265 1070 I CB 1.445 39.399 38.000 -0.077 0.000 1.387 1070 I HN 0.357 nan 8.210 nan 0.000 0.475 1071 T N 7.474 121.858 114.554 -0.284 0.000 2.770 1071 T HA 0.516 4.866 4.350 -0.000 0.000 0.283 1071 T C -0.406 174.150 174.700 -0.239 0.000 0.988 1071 T CA -0.443 61.509 62.100 -0.247 0.000 0.957 1071 T CB 0.870 69.599 68.868 -0.232 0.000 0.930 1071 T HN 0.107 nan 8.240 nan 0.000 0.443 1072 L N 4.660 125.752 121.223 -0.217 0.000 2.277 1072 L HA 0.666 5.006 4.340 -0.000 0.000 0.284 1072 L C -0.002 176.791 176.870 -0.129 0.000 1.028 1072 L CA -0.013 54.707 54.840 -0.199 0.000 0.835 1072 L CB 0.507 42.436 42.059 -0.218 0.000 1.215 1072 L HN 0.602 nan 8.230 nan 0.000 0.425 1073 K N 3.159 123.495 120.400 -0.106 0.000 2.653 1073 K HA 0.409 4.728 4.320 -0.000 0.000 0.274 1073 K C -1.756 174.818 176.600 -0.043 0.000 0.974 1073 K CA -0.758 55.482 56.287 -0.079 0.000 0.868 1073 K CB 1.113 33.547 32.500 -0.109 0.000 1.408 1073 K HN 0.374 nan 8.250 nan 0.000 0.397 1074 L N 2.316 123.525 121.223 -0.024 0.000 2.410 1074 L HA 0.380 4.719 4.340 -0.000 0.000 0.273 1074 L C -0.380 176.485 176.870 -0.008 0.000 1.152 1074 L CA -0.155 54.702 54.840 0.029 0.000 0.855 1074 L CB 0.420 42.465 42.059 -0.023 0.000 1.129 1074 L HN 0.671 nan 8.230 nan 0.000 0.463 1075 D N 2.562 122.983 120.400 0.034 0.000 2.964 1075 D HA 0.337 4.977 4.640 -0.000 0.000 0.234 1075 D C -0.256 176.059 176.300 0.026 0.000 1.223 1075 D CA -0.409 53.584 54.000 -0.011 0.000 0.889 1075 D CB 1.008 41.780 40.800 -0.046 0.000 1.609 1075 D HN 0.354 nan 8.370 nan 0.000 0.523 1076 R N 1.169 121.663 120.500 -0.010 0.000 3.656 1076 R HA -0.168 4.172 4.340 -0.000 0.000 0.297 1076 R C -0.829 175.472 176.300 0.002 0.000 1.166 1076 R CA 0.265 56.365 56.100 -0.000 0.000 0.799 1076 R CB -2.751 27.560 30.300 0.018 0.000 1.285 1076 R HN 0.456 nan 8.270 nan 0.000 0.477 1077 C N 0.708 119.953 119.300 -0.091 0.000 2.246 1077 C HA 0.320 4.779 4.460 -0.000 0.000 0.329 1077 C C 1.660 176.464 174.990 -0.310 0.000 1.221 1077 C CA -0.510 58.330 59.018 -0.297 0.000 1.697 1077 C CB -0.414 26.970 27.740 -0.593 0.000 2.312 1077 C HN 0.527 nan 8.230 nan 0.000 0.509 1078 N N 2.860 121.389 118.700 -0.286 0.000 2.457 1078 N HA -0.055 4.685 4.740 -0.000 0.000 0.180 1078 N C 0.100 175.214 175.510 -0.660 0.000 1.050 1078 N CA 0.216 53.114 53.050 -0.252 0.000 0.906 1078 N CB -0.011 38.506 38.487 0.049 0.000 0.968 1078 N HN 0.672 nan 8.380 nan 0.000 0.445 1079 N N 1.038 119.071 118.700 -1.112 0.000 2.422 1079 N HA 0.063 4.802 4.740 -0.000 0.000 0.264 1079 N C -0.010 175.065 175.510 -0.725 0.000 1.063 1079 N CA 0.031 52.205 53.050 -1.459 0.000 0.959 1079 N CB 0.841 38.400 38.487 -1.548 0.000 1.087 1079 N HN -0.028 nan 8.380 nan 0.000 0.483 1080 N N 2.794 121.194 118.700 -0.500 0.000 2.457 1080 N HA 0.064 4.803 4.740 -0.000 0.000 0.180 1080 N C 0.315 175.699 175.510 -0.211 0.000 1.050 1080 N CA 0.562 53.446 53.050 -0.277 0.000 0.906 1080 N CB 0.189 38.578 38.487 -0.164 0.000 0.968 1080 N HN 0.489 nan 8.380 nan 0.000 0.445 1081 N N -0.091 118.458 118.700 -0.251 0.000 2.353 1081 N HA 0.004 4.743 4.740 -0.000 0.000 0.185 1081 N C -0.246 175.182 175.510 -0.136 0.000 1.098 1081 N CA 0.206 53.189 53.050 -0.111 0.000 0.872 1081 N CB 0.175 38.655 38.487 -0.011 0.000 0.970 1081 N HN 0.296 nan 8.380 nan 0.000 0.467 1082 Q N 0.901 120.520 119.800 -0.302 0.000 2.395 1082 Q HA 0.045 4.385 4.340 -0.000 0.000 0.271 1082 Q C -0.550 175.349 176.000 -0.169 0.000 1.026 1082 Q CA 0.505 56.098 55.803 -0.349 0.000 0.900 1082 Q CB 0.520 28.976 28.738 -0.471 0.000 1.266 1082 Q HN 0.302 nan 8.270 nan 0.000 0.430 1083 Y N -2.241 117.989 120.300 -0.117 0.000 2.638 1083 Y HA 0.721 5.271 4.550 -0.000 0.000 0.335 1083 Y C -0.881 174.967 175.900 -0.087 0.000 1.155 1083 Y CA -1.405 56.601 58.100 -0.157 0.000 1.046 1083 Y CB 0.575 38.931 38.460 -0.173 0.000 1.303 1083 Y HN 0.285 nan 8.280 nan 0.000 0.460 1084 V N -1.767 118.210 119.914 0.106 0.000 3.188 1084 V HA 0.937 5.056 4.120 -0.000 0.000 0.305 1084 V C -0.963 175.233 176.094 0.170 0.000 1.232 1084 V CA -1.011 61.376 62.300 0.144 0.000 1.043 1084 V CB 1.638 33.535 31.823 0.124 0.000 1.068 1084 V HN 0.972 nan 8.190 nan 0.000 0.439 1085 S N 1.572 117.411 115.700 0.233 0.000 2.536 1085 S HA 0.884 5.354 4.470 -0.000 0.000 0.287 1085 S C -0.809 174.048 174.600 0.430 0.000 1.101 1085 S CA -0.481 57.927 58.200 0.347 0.000 0.950 1085 S CB 1.557 64.948 63.200 0.317 0.000 1.056 1085 S HN 0.758 nan 8.310 nan 0.000 0.481 1086 I N 1.998 122.857 120.570 0.483 0.000 2.569 1086 I HA 0.483 4.652 4.170 -0.000 0.000 0.290 1086 I C -1.263 175.139 176.117 0.475 0.000 1.088 1086 I CA -0.402 61.204 61.300 0.510 0.000 1.047 1086 I CB 2.202 40.356 38.000 0.257 0.000 1.237 1086 I HN 0.474 nan 8.210 nan 0.000 0.421 1087 D N 4.252 124.950 120.400 0.496 0.000 2.601 1087 D HA 0.420 5.059 4.640 -0.000 0.000 0.230 1087 D C -0.431 176.068 176.300 0.331 0.000 1.106 1087 D CA -0.533 53.618 54.000 0.252 0.000 0.873 1087 D CB 1.805 42.541 40.800 -0.106 0.000 1.515 1087 D HN 0.291 nan 8.370 nan 0.000 0.468 1088 K N 0.596 121.139 120.400 0.238 0.000 3.069 1088 K HA -0.226 4.093 4.320 -0.000 0.000 0.267 1088 K C -0.366 176.441 176.600 0.344 0.000 1.082 1088 K CA 0.197 56.649 56.287 0.274 0.000 0.782 1088 K CB -2.002 30.625 32.500 0.212 0.000 1.230 1088 K HN 0.370 nan 8.250 nan 0.000 0.488 1089 F N 1.261 121.343 119.950 0.220 0.000 2.602 1089 F HA 0.145 4.672 4.527 -0.001 0.000 0.385 1089 F C 0.767 176.645 175.800 0.131 0.000 1.063 1089 F CA 0.480 58.597 58.000 0.194 0.000 1.233 1089 F CB 0.371 39.431 39.000 0.101 0.000 1.067 1089 F HN 0.195 nan 8.300 nan 0.000 0.564 1090 R N 6.747 126.824 120.500 -0.706 0.000 2.668 1090 R HA 0.616 4.955 4.340 -0.000 0.000 0.272 1090 R C -2.222 173.702 176.300 -0.627 0.000 1.019 1090 R CA -0.729 55.074 56.100 -0.494 0.000 0.894 1090 R CB 1.298 31.451 30.300 -0.245 0.000 1.228 1090 R HN 0.633 nan 8.270 nan 0.000 0.460 1091 I N 4.243 124.493 120.570 -0.533 0.000 2.498 1091 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 1091 I C -1.033 174.839 176.117 -0.409 0.000 1.032 1091 I CA -0.664 60.432 61.300 -0.341 0.000 1.073 1091 I CB 1.696 39.620 38.000 -0.126 0.000 1.251 1091 I HN 0.544 nan 8.210 nan 0.000 0.426 1092 F N 3.662 123.591 119.950 -0.034 0.000 2.480 1092 F HA 0.259 4.786 4.527 -0.000 0.000 0.329 1092 F C 1.422 177.250 175.800 0.046 0.000 1.091 1092 F CA -0.793 57.204 58.000 -0.005 0.000 0.972 1092 F CB 1.350 40.340 39.000 -0.016 0.000 1.150 1092 F HN 0.603 nan 8.300 nan 0.000 0.467 1093 c N -0.727 118.005 118.600 0.220 0.000 2.491 1093 c HA 0.172 4.741 4.570 -0.000 0.000 0.277 1093 c C 0.614 174.830 174.090 0.210 0.000 1.455 1093 c CA -0.255 56.181 56.329 0.179 0.000 1.758 1093 c CB -1.977 40.601 42.510 0.114 0.000 1.745 1093 c HN 0.792 nan 8.230 nan 0.000 0.558 1094 K N 0.756 121.283 120.400 0.211 0.000 2.400 1094 K HA 0.734 5.054 4.320 -0.000 0.000 0.246 1094 K C -0.680 175.942 176.600 0.038 0.000 0.995 1094 K CA -0.328 56.040 56.287 0.135 0.000 0.840 1094 K CB 1.700 34.279 32.500 0.133 0.000 1.293 1094 K HN 0.047 nan 8.250 nan 0.000 0.445 1095 A N 3.041 125.850 122.820 -0.018 0.000 2.401 1095 A HA 0.370 4.690 4.320 -0.000 0.000 0.259 1095 A C -0.237 177.257 177.584 -0.150 0.000 1.103 1095 A CA -0.725 51.243 52.037 -0.116 0.000 0.789 1095 A CB -0.101 18.838 19.000 -0.100 0.000 1.035 1095 A HN 0.639 nan 8.150 nan 0.000 0.491 1096 L N 2.214 123.290 121.223 -0.244 0.000 2.357 1096 L HA 0.287 4.626 4.340 -0.000 0.000 0.273 1096 L C 0.430 177.144 176.870 -0.259 0.000 1.080 1096 L CA -0.769 53.889 54.840 -0.302 0.000 0.803 1096 L CB 1.179 42.964 42.059 -0.456 0.000 1.174 1096 L HN 0.978 nan 8.230 nan 0.000 0.443 1097 N N 1.573 120.134 118.700 -0.231 0.000 2.476 1097 N HA 0.367 5.107 4.740 -0.000 0.000 0.275 1097 N C -2.355 173.011 175.510 -0.239 0.000 1.190 1097 N CA -1.618 51.322 53.050 -0.183 0.000 0.977 1097 N CB 0.439 38.846 38.487 -0.133 0.000 1.200 1097 N HN 0.133 nan 8.380 nan 0.000 0.515 1098 P HA -0.202 nan 4.420 nan 0.000 0.214 1098 P C 0.680 177.876 177.300 -0.174 0.000 1.163 1098 P CA 1.942 64.927 63.100 -0.192 0.000 0.889 1098 P CB 0.102 31.784 31.700 -0.029 0.000 0.790 1099 K N -0.297 120.030 120.400 -0.122 0.000 2.113 1099 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 1099 K C 2.093 178.612 176.600 -0.135 0.000 1.047 1099 K CA 1.579 57.803 56.287 -0.106 0.000 0.928 1099 K CB -0.341 32.106 32.500 -0.087 0.000 0.716 1099 K HN 0.276 nan 8.250 nan 0.000 0.446 1100 E N 0.391 120.483 120.200 -0.179 0.000 2.152 1100 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 1100 E C 1.935 178.400 176.600 -0.225 0.000 0.983 1100 E CA 0.776 57.053 56.400 -0.204 0.000 0.818 1100 E CB 0.015 29.566 29.700 -0.250 0.000 0.758 1100 E HN 0.268 nan 8.360 nan 0.000 0.467 1101 I N 0.849 121.252 120.570 -0.279 0.000 2.202 1101 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 1101 I C 2.517 178.567 176.117 -0.113 0.000 1.091 1101 I CA 0.990 62.116 61.300 -0.290 0.000 1.368 1101 I CB -0.045 37.613 38.000 -0.571 0.000 1.058 1101 I HN 0.034 nan 8.210 nan 0.000 0.410 1102 E N 1.517 121.662 120.200 -0.093 0.000 2.097 1102 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 1102 E C 2.003 178.600 176.600 -0.005 0.000 1.000 1102 E CA 1.722 58.130 56.400 0.013 0.000 0.804 1102 E CB -0.086 29.607 29.700 -0.012 0.000 0.740 1102 E HN 0.117 nan 8.360 nan 0.000 0.454 1103 K N 0.078 120.441 120.400 -0.061 0.000 2.097 1103 K HA 0.003 4.322 4.320 -0.000 0.000 0.205 1103 K C 2.150 178.699 176.600 -0.085 0.000 1.050 1103 K CA 1.021 57.261 56.287 -0.077 0.000 0.938 1103 K CB -0.559 31.888 32.500 -0.089 0.000 0.718 1103 K HN 0.267 nan 8.250 nan 0.000 0.442 1104 L N 0.028 121.210 121.223 -0.068 0.000 1.989 1104 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 1104 L C 2.213 179.030 176.870 -0.088 0.000 1.071 1104 L CA 1.998 56.806 54.840 -0.054 0.000 0.749 1104 L CB -0.557 41.528 42.059 0.043 0.000 0.890 1104 L HN 0.334 nan 8.230 nan 0.000 0.431 1105 Y N 1.310 121.486 120.300 -0.206 0.000 2.145 1105 Y HA -0.272 4.278 4.550 -0.001 0.000 0.286 1105 Y C 2.831 178.662 175.900 -0.115 0.000 1.145 1105 Y CA 2.219 60.097 58.100 -0.371 0.000 1.148 1105 Y CB -1.054 37.294 38.460 -0.187 0.000 0.981 1105 Y HN 0.376 nan 8.280 nan 0.000 0.507 1106 T N -1.934 112.484 114.554 -0.228 0.000 3.007 1106 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 1106 T C 2.009 176.605 174.700 -0.172 0.000 1.107 1106 T CA 1.140 63.058 62.100 -0.302 0.000 1.118 1106 T CB -0.995 67.732 68.868 -0.235 0.000 0.889 1106 T HN 0.476 nan 8.240 nan 0.000 0.506 1107 S N 0.190 115.779 115.700 -0.184 0.000 2.481 1107 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 1107 S C 1.389 175.858 174.600 -0.220 0.000 0.996 1107 S CA 0.019 58.083 58.200 -0.228 0.000 0.942 1107 S CB -0.828 62.179 63.200 -0.321 0.000 0.768 1107 S HN 0.644 nan 8.310 nan 0.000 0.520 1108 Y N 0.939 121.213 120.300 -0.044 0.000 2.466 1108 Y HA 0.466 5.016 4.550 -0.000 0.000 0.272 1108 Y C 1.070 176.923 175.900 -0.078 0.000 1.169 1108 Y CA -0.147 57.935 58.100 -0.030 0.000 1.285 1108 Y CB 0.047 38.557 38.460 0.085 0.000 1.078 1108 Y HN 0.224 nan 8.280 nan 0.000 0.523 1109 L N 1.076 122.331 121.223 0.054 0.000 3.064 1109 L HA 0.194 4.534 4.340 -0.000 0.000 0.233 1109 L C 0.515 177.380 176.870 -0.009 0.000 1.333 1109 L CA -0.468 54.380 54.840 0.013 0.000 1.140 1109 L CB -0.269 41.781 42.059 -0.016 0.000 1.519 1109 L HN 0.071 nan 8.230 nan 0.000 0.493 1110 S N -0.168 115.527 115.700 -0.008 0.000 2.465 1110 S HA 0.049 4.518 4.470 -0.000 0.000 0.307 1110 S C 1.691 176.292 174.600 0.002 0.000 1.187 1110 S CA -0.751 57.444 58.200 -0.008 0.000 1.141 1110 S CB -0.020 63.178 63.200 -0.003 0.000 1.108 1110 S HN 0.405 nan 8.310 nan 0.000 0.525 1111 I N 2.595 123.161 120.570 -0.008 0.000 2.438 1111 I HA -0.352 3.817 4.170 -0.000 0.000 0.241 1111 I C 2.311 178.411 176.117 -0.029 0.000 0.951 1111 I CA 2.268 63.561 61.300 -0.012 0.000 1.271 1111 I CB -2.451 35.535 38.000 -0.024 0.000 0.971 1111 I HN 0.727 nan 8.210 nan 0.000 0.417 1112 T N -0.317 114.204 114.554 -0.056 0.000 2.649 1112 T HA -0.213 4.136 4.350 -0.000 0.000 0.268 1112 T C 0.457 175.034 174.700 -0.205 0.000 1.036 1112 T CA 1.575 63.588 62.100 -0.145 0.000 1.157 1112 T CB -0.528 68.234 68.868 -0.176 0.000 0.861 1112 T HN 0.296 nan 8.240 nan 0.000 0.445 1113 F N 0.730 120.636 119.950 -0.073 0.000 2.443 1113 F HA 0.549 5.076 4.527 -0.001 0.000 0.335 1113 F C 0.051 175.796 175.800 -0.091 0.000 1.104 1113 F CA -1.394 56.550 58.000 -0.093 0.000 1.013 1113 F CB 1.394 40.302 39.000 -0.153 0.000 1.136 1113 F HN 0.008 nan 8.300 nan 0.000 0.470 1114 L N 3.997 125.315 121.223 0.159 0.000 2.421 1114 L HA 0.592 4.932 4.340 -0.000 0.000 0.263 1114 L C -0.285 176.587 176.870 0.002 0.000 1.122 1114 L CA -0.747 54.112 54.840 0.032 0.000 0.804 1114 L CB 1.276 43.295 42.059 -0.067 0.000 1.150 1114 L HN 0.594 nan 8.230 nan 0.000 0.457 1115 R N -0.056 120.432 120.500 -0.020 0.000 2.807 1115 R HA 0.351 4.690 4.340 -0.000 0.000 0.276 1115 R C -1.293 175.003 176.300 -0.008 0.000 0.979 1115 R CA -0.899 55.172 56.100 -0.048 0.000 0.928 1115 R CB 1.964 32.190 30.300 -0.124 0.000 1.191 1115 R HN 0.695 nan 8.270 nan 0.000 0.471 1116 D N 0.239 120.648 120.400 0.015 0.000 2.506 1116 D HA 0.006 4.646 4.640 -0.000 0.000 0.272 1116 D C 0.692 177.074 176.300 0.137 0.000 1.214 1116 D CA -0.609 53.448 54.000 0.094 0.000 1.067 1116 D CB 0.281 41.205 40.800 0.205 0.000 1.117 1116 D HN 0.305 nan 8.370 nan 0.000 0.578 1117 F N -0.315 119.556 119.950 -0.131 0.000 2.115 1117 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 1117 F C 1.555 177.170 175.800 -0.308 0.000 1.092 1117 F CA 1.254 59.022 58.000 -0.387 0.000 1.245 1117 F CB -0.430 37.991 39.000 -0.965 0.000 0.995 1117 F HN 0.461 nan 8.300 nan 0.000 0.481 1118 W N -0.486 120.849 121.300 0.058 0.000 2.699 1118 W HA 0.246 4.905 4.660 -0.000 0.000 0.249 1118 W C 1.864 178.373 176.519 -0.017 0.000 1.280 1118 W CA 0.577 57.897 57.345 -0.042 0.000 1.345 1118 W CB -0.400 29.085 29.460 0.041 0.000 1.128 1118 W HN 0.258 nan 8.180 nan 0.000 0.642 1119 G N -0.293 108.485 108.800 -0.036 0.000 2.163 1119 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.213 1119 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.213 1119 G C 0.062 174.874 174.900 -0.147 0.000 0.991 1119 G CA -0.508 44.217 45.100 -0.626 0.000 0.653 1119 G HN 0.155 nan 8.290 nan 0.000 0.518 1120 N N 0.930 119.697 118.700 0.112 0.000 2.458 1120 N HA 0.523 5.263 4.740 -0.000 0.000 0.271 1120 N C -2.764 172.749 175.510 0.006 0.000 1.210 1120 N CA -1.393 51.721 53.050 0.107 0.000 0.978 1120 N CB 0.917 39.561 38.487 0.260 0.000 1.206 1120 N HN -0.005 nan 8.380 nan 0.000 0.536 1121 P HA 0.037 nan 4.420 nan 0.000 0.268 1121 P C -0.043 177.347 177.300 0.149 0.000 1.204 1121 P CA 0.006 63.085 63.100 -0.035 0.000 0.768 1121 P CB 0.635 32.217 31.700 -0.197 0.000 0.842 1122 L N 4.549 125.828 121.223 0.093 0.000 2.410 1122 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 1122 L C 0.759 177.706 176.870 0.128 0.000 1.152 1122 L CA 0.303 55.164 54.840 0.035 0.000 0.855 1122 L CB 0.124 42.059 42.059 -0.208 0.000 1.129 1122 L HN 0.432 nan 8.230 nan 0.000 0.463 1123 R N 3.328 123.954 120.500 0.209 0.000 2.787 1123 R HA 0.381 4.721 4.340 -0.000 0.000 0.271 1123 R C -1.185 175.163 176.300 0.080 0.000 0.993 1123 R CA -0.807 55.355 56.100 0.104 0.000 0.993 1123 R CB 1.560 31.919 30.300 0.099 0.000 1.155 1123 R HN 0.345 nan 8.270 nan 0.000 0.486 1124 Y N 1.030 121.389 120.300 0.097 0.000 2.299 1124 Y HA -0.031 4.519 4.550 -0.000 0.000 0.335 1124 Y C 0.672 176.610 175.900 0.064 0.000 1.287 1124 Y CA 0.340 58.498 58.100 0.097 0.000 1.424 1124 Y CB 0.584 39.077 38.460 0.056 0.000 1.326 1124 Y HN 0.691 nan 8.280 nan 0.000 0.567 1125 D N -0.345 120.211 120.400 0.260 0.000 2.811 1125 D HA -0.205 4.435 4.640 -0.000 0.000 0.231 1125 D C -0.149 176.178 176.300 0.045 0.000 1.157 1125 D CA 1.411 55.480 54.000 0.116 0.000 0.716 1125 D CB -1.412 39.426 40.800 0.063 0.000 1.077 1125 D HN 0.490 nan 8.370 nan 0.000 0.428 1126 T N -2.038 112.537 114.554 0.036 0.000 2.903 1126 T HA 0.433 4.782 4.350 -0.000 0.000 0.299 1126 T C -0.743 173.789 174.700 -0.278 0.000 1.093 1126 T CA -0.751 61.266 62.100 -0.139 0.000 1.002 1126 T CB 2.325 71.088 68.868 -0.175 0.000 1.127 1126 T HN -0.020 nan 8.240 nan 0.000 0.488 1127 E N 2.050 122.062 120.200 -0.312 0.000 2.229 1127 E HA 0.393 4.743 4.350 -0.000 0.000 0.283 1127 E C -1.353 175.035 176.600 -0.352 0.000 1.030 1127 E CA -0.328 55.929 56.400 -0.238 0.000 0.836 1127 E CB 0.717 30.310 29.700 -0.178 0.000 1.068 1127 E HN 0.526 nan 8.360 nan 0.000 0.401 1128 Y N 1.406 121.744 120.300 0.064 0.000 2.477 1128 Y HA 0.261 4.811 4.550 -0.001 0.000 0.347 1128 Y C -0.772 175.128 175.900 0.000 0.000 0.981 1128 Y CA -0.941 57.240 58.100 0.134 0.000 1.033 1128 Y CB 1.063 39.740 38.460 0.363 0.000 1.245 1128 Y HN 0.432 nan 8.280 nan 0.000 0.455 1129 Y N 2.848 123.363 120.300 0.358 0.000 2.304 1129 Y HA 0.358 4.907 4.550 -0.000 0.000 0.328 1129 Y C 0.014 175.981 175.900 0.112 0.000 1.123 1129 Y CA -0.503 57.749 58.100 0.253 0.000 1.218 1129 Y CB 0.666 39.241 38.460 0.192 0.000 1.207 1129 Y HN 0.283 nan 8.280 nan 0.000 0.495 1130 L N 5.311 126.662 121.223 0.214 0.000 2.292 1130 L HA 0.482 4.822 4.340 -0.000 0.000 0.284 1130 L C -0.451 176.565 176.870 0.244 0.000 1.065 1130 L CA -0.341 54.506 54.840 0.011 0.000 0.806 1130 L CB 0.989 42.854 42.059 -0.325 0.000 1.175 1130 L HN 0.624 nan 8.230 nan 0.000 0.431 1131 I N 4.847 125.575 120.570 0.264 0.000 2.569 1131 I HA 0.314 4.483 4.170 -0.000 0.000 0.290 1131 I C -2.433 173.706 176.117 0.037 0.000 1.088 1131 I CA -1.936 59.477 61.300 0.189 0.000 1.047 1131 I CB 3.214 41.319 38.000 0.175 0.000 1.237 1131 I HN 0.323 nan 8.210 nan 0.000 0.421 1132 P HA 0.142 nan 4.420 nan 0.000 0.282 1132 P C 0.817 177.861 177.300 -0.426 0.000 1.262 1132 P CA -0.216 62.465 63.100 -0.699 0.000 0.773 1132 P CB 1.426 32.669 31.700 -0.761 0.000 0.879 1133 V N 3.265 122.816 119.914 -0.604 0.000 2.392 1133 V HA -0.259 3.860 4.120 -0.000 0.000 0.249 1133 V C 2.251 178.213 176.094 -0.221 0.000 1.059 1133 V CA 2.816 64.807 62.300 -0.515 0.000 1.051 1133 V CB -1.405 30.054 31.823 -0.607 0.000 0.658 1133 V HN 0.662 nan 8.190 nan 0.000 0.455 1134 A N -0.415 122.244 122.820 -0.269 0.000 2.251 1134 A HA 0.186 4.506 4.320 -0.000 0.000 0.209 1134 A C 1.070 178.577 177.584 -0.129 0.000 1.187 1134 A CA 0.827 52.765 52.037 -0.164 0.000 0.823 1134 A CB -0.040 18.859 19.000 -0.169 0.000 0.846 1134 A HN 0.591 nan 8.150 nan 0.000 0.486 1135 S N -0.351 115.258 115.700 -0.151 0.000 2.356 1135 S HA 0.233 4.702 4.470 -0.000 0.000 0.171 1135 S C 0.448 174.972 174.600 -0.126 0.000 1.399 1135 S CA 0.081 58.212 58.200 -0.114 0.000 1.225 1135 S CB 0.404 63.541 63.200 -0.107 0.000 1.271 1135 S HN 0.549 nan 8.310 nan 0.000 0.427 1136 S N 1.062 116.684 115.700 -0.130 0.000 2.515 1136 S HA -0.092 4.377 4.470 -0.000 0.000 0.231 1136 S C 1.491 175.843 174.600 -0.414 0.000 0.987 1136 S CA 0.710 58.758 58.200 -0.253 0.000 0.936 1136 S CB -0.529 62.491 63.200 -0.299 0.000 0.766 1136 S HN 0.850 nan 8.310 nan 0.000 0.528 1137 S N 0.430 115.981 115.700 -0.247 0.000 2.634 1137 S HA 0.321 4.790 4.470 -0.000 0.000 0.221 1137 S C 0.220 174.759 174.600 -0.102 0.000 0.952 1137 S CA -0.669 57.420 58.200 -0.185 0.000 0.930 1137 S CB -0.073 63.060 63.200 -0.112 0.000 0.780 1137 S HN 0.246 nan 8.310 nan 0.000 0.498 1138 K N 1.642 121.990 120.400 -0.086 0.000 2.208 1138 K HA 0.580 4.900 4.320 -0.000 0.000 0.247 1138 K C -1.124 175.476 176.600 -0.000 0.000 0.953 1138 K CA -0.522 55.748 56.287 -0.028 0.000 0.837 1138 K CB 1.009 33.503 32.500 -0.011 0.000 1.131 1138 K HN 0.092 nan 8.250 nan 0.000 0.431 1139 D N 0.358 120.775 120.400 0.027 0.000 2.374 1139 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 1139 D C -0.595 175.749 176.300 0.072 0.000 0.991 1139 D CA -0.639 53.397 54.000 0.059 0.000 0.960 1139 D CB 2.142 42.966 40.800 0.040 0.000 1.284 1139 D HN -0.011 nan 8.370 nan 0.000 0.512 1140 V N 1.526 121.515 119.914 0.125 0.000 2.439 1140 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 1140 V C 0.172 176.252 176.094 -0.023 0.000 1.039 1140 V CA -0.399 61.959 62.300 0.096 0.000 0.913 1140 V CB 1.461 33.422 31.823 0.230 0.000 0.983 1140 V HN 0.404 nan 8.190 nan 0.000 0.460 1141 Q N 3.050 122.693 119.800 -0.261 0.000 2.495 1141 Q HA 0.731 5.070 4.340 -0.000 0.000 0.283 1141 Q C -1.538 174.263 176.000 -0.331 0.000 1.097 1141 Q CA -0.653 54.928 55.803 -0.370 0.000 0.836 1141 Q CB 1.923 30.209 28.738 -0.753 0.000 1.426 1141 Q HN 0.596 nan 8.270 nan 0.000 0.459 1142 L N 1.518 122.620 121.223 -0.202 0.000 2.346 1142 L HA 0.520 4.860 4.340 -0.000 0.000 0.276 1142 L C 0.242 177.066 176.870 -0.077 0.000 1.006 1142 L CA -0.196 54.550 54.840 -0.156 0.000 0.817 1142 L CB 1.557 43.458 42.059 -0.264 0.000 1.272 1142 L HN 0.761 nan 8.230 nan 0.000 0.421 1143 K N 2.832 123.143 120.400 -0.148 0.000 2.021 1143 K HA 0.192 4.512 4.320 -0.000 0.000 0.205 1143 K C 0.043 176.544 176.600 -0.165 0.000 1.047 1143 K CA 1.257 57.420 56.287 -0.206 0.000 0.943 1143 K CB 0.151 32.246 32.500 -0.674 0.000 0.725 1143 K HN 0.699 nan 8.250 nan 0.000 0.439 1144 N N -1.290 117.282 118.700 -0.213 0.000 3.322 1144 N HA 0.164 4.903 4.740 -0.000 0.000 0.233 1144 N C -1.387 173.972 175.510 -0.252 0.000 1.399 1144 N CA -0.548 52.383 53.050 -0.199 0.000 0.894 1144 N CB 0.877 39.295 38.487 -0.115 0.000 1.440 1144 N HN -0.033 nan 8.380 nan 0.000 0.503 1145 I N 1.551 121.945 120.570 -0.293 0.000 2.752 1145 I HA -0.104 4.066 4.170 -0.000 0.000 0.287 1145 I C 1.380 177.387 176.117 -0.184 0.000 1.188 1145 I CA 1.389 62.498 61.300 -0.320 0.000 1.427 1145 I CB 0.310 38.078 38.000 -0.387 0.000 1.365 1145 I HN 0.967 nan 8.210 nan 0.000 0.585 1146 T N 0.073 114.544 114.554 -0.137 0.000 7.990 1146 T HA -0.221 4.128 4.350 -0.000 0.000 0.305 1146 T C 0.214 174.967 174.700 0.088 0.000 2.080 1146 T CA 0.873 62.953 62.100 -0.033 0.000 3.423 1146 T CB -1.243 67.549 68.868 -0.127 0.000 1.630 1146 T HN 0.657 nan 8.240 nan 0.000 0.911 1147 D N 0.879 121.294 120.400 0.026 0.000 2.541 1147 D HA 0.609 5.249 4.640 -0.000 0.000 0.276 1147 D C 0.365 176.734 176.300 0.116 0.000 1.190 1147 D CA -0.307 53.748 54.000 0.091 0.000 1.095 1147 D CB 0.686 41.495 40.800 0.016 0.000 1.173 1147 D HN 0.625 nan 8.370 nan 0.000 0.604 1148 Y N -0.764 119.587 120.300 0.085 0.000 2.458 1148 Y HA 0.637 5.187 4.550 -0.001 0.000 0.322 1148 Y C -0.289 175.717 175.900 0.176 0.000 1.259 1148 Y CA -0.998 57.177 58.100 0.125 0.000 1.302 1148 Y CB 0.612 39.154 38.460 0.136 0.000 1.314 1148 Y HN 0.064 nan 8.280 nan 0.000 0.509 1149 M N 2.952 122.777 119.600 0.375 0.000 2.508 1149 M HA 0.441 4.921 4.480 -0.000 0.000 0.327 1149 M C -1.483 175.120 176.300 0.505 0.000 1.160 1149 M CA -0.823 54.643 55.300 0.277 0.000 0.980 1149 M CB 1.938 34.655 32.600 0.195 0.000 1.693 1149 M HN 0.841 nan 8.290 nan 0.000 0.452 1150 Y N -0.167 120.280 120.300 0.246 0.000 2.677 1150 Y HA 0.833 5.383 4.550 -0.000 0.000 0.334 1150 Y C -1.808 174.204 175.900 0.187 0.000 1.154 1150 Y CA -1.597 56.658 58.100 0.259 0.000 1.070 1150 Y CB 0.958 39.605 38.460 0.313 0.000 1.294 1150 Y HN 0.528 nan 8.280 nan 0.000 0.475 1151 L N 2.132 123.495 121.223 0.234 0.000 2.360 1151 L HA 0.776 5.116 4.340 -0.000 0.000 0.271 1151 L C -0.138 176.809 176.870 0.128 0.000 1.057 1151 L CA -0.657 54.252 54.840 0.116 0.000 0.803 1151 L CB 1.898 44.033 42.059 0.126 0.000 1.207 1151 L HN 0.989 nan 8.230 nan 0.000 0.445 1152 T N -2.257 112.329 114.554 0.052 0.000 2.896 1152 T HA 0.392 4.741 4.350 -0.000 0.000 0.297 1152 T C -0.529 174.198 174.700 0.045 0.000 1.108 1152 T CA -1.067 61.079 62.100 0.077 0.000 1.004 1152 T CB 1.513 70.417 68.868 0.060 0.000 1.159 1152 T HN 0.283 nan 8.240 nan 0.000 0.499 1153 N N 1.293 120.020 118.700 0.045 0.000 2.442 1153 N HA 0.531 5.270 4.740 -0.000 0.000 0.265 1153 N C 0.092 175.615 175.510 0.021 0.000 1.138 1153 N CA -0.151 52.913 53.050 0.023 0.000 0.956 1153 N CB 0.974 39.474 38.487 0.022 0.000 1.067 1153 N HN 0.960 nan 8.380 nan 0.000 0.474 1154 A N 3.915 126.739 122.820 0.007 0.000 2.351 1154 A HA 0.495 4.814 4.320 -0.000 0.000 0.257 1154 A C -1.910 175.690 177.584 0.027 0.000 1.087 1154 A CA -0.878 51.168 52.037 0.014 0.000 0.798 1154 A CB -0.213 18.784 19.000 -0.006 0.000 1.033 1154 A HN 0.473 nan 8.150 nan 0.000 0.488 1155 P HA 0.390 nan 4.420 nan 0.000 0.276 1155 P C -0.320 177.025 177.300 0.074 0.000 1.252 1155 P CA -0.288 62.843 63.100 0.052 0.000 0.802 1155 P CB 1.206 32.944 31.700 0.063 0.000 1.035 1156 S N 0.030 115.765 115.700 0.059 0.000 2.638 1156 S HA 0.627 5.097 4.470 -0.000 0.000 0.302 1156 S C -1.786 172.836 174.600 0.037 0.000 1.096 1156 S CA -0.570 57.666 58.200 0.061 0.000 0.953 1156 S CB 0.557 63.776 63.200 0.031 0.000 1.107 1156 S HN 0.422 nan 8.310 nan 0.000 0.503 1157 Y N 1.731 121.896 120.300 -0.226 0.000 2.391 1157 Y HA 0.579 5.129 4.550 -0.000 0.000 0.341 1157 Y C -0.418 175.323 175.900 -0.264 0.000 0.965 1157 Y CA -0.368 57.550 58.100 -0.303 0.000 1.067 1157 Y CB 1.637 39.773 38.460 -0.540 0.000 1.199 1157 Y HN 0.741 nan 8.280 nan 0.000 0.450 1158 T N 2.859 117.021 114.554 -0.654 0.000 2.876 1158 T HA 0.450 4.800 4.350 -0.000 0.000 0.289 1158 T C -1.320 173.034 174.700 -0.576 0.000 1.014 1158 T CA -0.952 60.911 62.100 -0.394 0.000 0.986 1158 T CB 1.636 70.363 68.868 -0.236 0.000 1.021 1158 T HN 0.622 nan 8.240 nan 0.000 0.458 1159 N N 0.767 119.333 118.700 -0.223 0.000 2.621 1159 N HA 0.307 5.047 4.740 -0.000 0.000 0.271 1159 N C 1.137 176.644 175.510 -0.005 0.000 1.181 1159 N CA -0.182 52.791 53.050 -0.129 0.000 0.805 1159 N CB 1.445 39.944 38.487 0.020 0.000 1.351 1159 N HN 0.912 nan 8.380 nan 0.000 0.539 1160 G N 2.099 110.882 108.800 -0.028 0.000 2.421 1160 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 1160 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 1160 G C 1.382 176.291 174.900 0.014 0.000 1.171 1160 G CA 0.803 45.904 45.100 0.002 0.000 0.775 1160 G HN 0.470 nan 8.290 nan 0.000 0.543 1161 K N -0.276 120.127 120.400 0.004 0.000 2.160 1161 K HA 0.054 4.374 4.320 -0.000 0.000 0.206 1161 K C 2.121 178.735 176.600 0.024 0.000 1.047 1161 K CA 0.835 57.128 56.287 0.011 0.000 0.930 1161 K CB -0.198 32.306 32.500 0.006 0.000 0.720 1161 K HN 0.345 nan 8.250 nan 0.000 0.450 1162 L N -0.605 120.642 121.223 0.041 0.000 2.640 1162 L HA 0.159 4.499 4.340 -0.000 0.000 0.230 1162 L C -0.000 176.905 176.870 0.059 0.000 1.123 1162 L CA -0.313 54.558 54.840 0.053 0.000 0.900 1162 L CB -0.165 41.940 42.059 0.075 0.000 1.146 1162 L HN 0.246 nan 8.230 nan 0.000 0.484 1163 N N 1.716 120.455 118.700 0.065 0.000 2.746 1163 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 1163 N C -0.718 174.847 175.510 0.093 0.000 1.055 1163 N CA 0.636 53.733 53.050 0.078 0.000 0.699 1163 N CB -0.963 37.552 38.487 0.047 0.000 0.919 1163 N HN 0.559 nan 8.380 nan 0.000 0.548 1164 I N -2.006 118.645 120.570 0.135 0.000 2.722 1164 I HA 0.767 4.936 4.170 -0.000 0.000 0.295 1164 I C -0.723 175.527 176.117 0.221 0.000 1.161 1164 I CA -1.172 60.208 61.300 0.133 0.000 1.032 1164 I CB 1.940 40.042 38.000 0.170 0.000 1.244 1164 I HN 0.090 nan 8.210 nan 0.000 0.421 1165 Y N 3.307 123.697 120.300 0.151 0.000 2.638 1165 Y HA 0.871 5.421 4.550 -0.000 0.000 0.335 1165 Y C -1.723 174.304 175.900 0.212 0.000 1.155 1165 Y CA -1.445 56.691 58.100 0.060 0.000 1.046 1165 Y CB 1.376 39.835 38.460 -0.002 0.000 1.303 1165 Y HN 0.804 nan 8.280 nan 0.000 0.460 1166 Y N -1.184 119.333 120.300 0.362 0.000 2.598 1166 Y HA 0.565 5.115 4.550 -0.000 0.000 0.333 1166 Y C -1.137 174.959 175.900 0.328 0.000 1.196 1166 Y CA -2.220 56.082 58.100 0.337 0.000 1.145 1166 Y CB 0.697 39.391 38.460 0.390 0.000 1.349 1166 Y HN 0.866 nan 8.280 nan 0.000 0.469 1167 R N 1.561 122.322 120.500 0.435 0.000 2.570 1167 R HA 0.423 4.763 4.340 -0.000 0.000 0.277 1167 R C -0.735 175.850 176.300 0.474 0.000 1.039 1167 R CA -0.425 55.835 56.100 0.268 0.000 1.065 1167 R CB 0.503 30.817 30.300 0.024 0.000 0.964 1167 R HN 0.754 nan 8.270 nan 0.000 0.428 1168 R N 2.334 123.040 120.500 0.343 0.000 2.615 1168 R HA 0.340 4.680 4.340 -0.000 0.000 0.270 1168 R C -0.110 176.267 176.300 0.129 0.000 1.081 1168 R CA -0.539 55.796 56.100 0.391 0.000 1.154 1168 R CB 0.500 30.960 30.300 0.267 0.000 1.063 1168 R HN 0.472 nan 8.270 nan 0.000 0.519 1169 L N 1.267 122.454 121.223 -0.060 0.000 2.304 1169 L HA 0.363 4.703 4.340 -0.000 0.000 0.268 1169 L C -0.428 176.041 176.870 -0.669 0.000 1.010 1169 L CA -0.904 53.584 54.840 -0.588 0.000 0.813 1169 L CB 0.714 42.031 42.059 -1.237 0.000 1.315 1169 L HN 0.677 nan 8.230 nan 0.000 0.445 1170 Y N -1.372 118.624 120.300 -0.506 0.000 4.786 1170 Y HA -0.238 4.312 4.550 -0.000 0.000 0.243 1170 Y C 0.030 175.581 175.900 -0.582 0.000 1.027 1170 Y CA -0.291 57.263 58.100 -0.909 0.000 2.052 1170 Y CB -2.706 35.571 38.460 -0.305 0.000 1.578 1170 Y HN 0.604 nan 8.280 nan 0.000 0.655 1171 N N 0.794 119.349 118.700 -0.240 0.000 2.443 1171 N HA 0.688 5.428 4.740 -0.000 0.000 0.293 1171 N C 0.771 176.339 175.510 0.098 0.000 1.159 1171 N CA 0.477 53.526 53.050 -0.001 0.000 0.904 1171 N CB 2.190 40.697 38.487 0.033 0.000 1.214 1171 N HN 0.534 nan 8.380 nan 0.000 0.513 1172 G N -0.267 108.650 108.800 0.196 0.000 2.483 1172 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.521 1172 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.521 1172 G C -0.850 174.221 174.900 0.284 0.000 1.278 1172 G CA -0.933 44.297 45.100 0.217 0.000 0.965 1172 G HN 0.404 nan 8.290 nan 0.000 0.504 1173 L N 0.116 121.441 121.223 0.169 0.000 2.467 1173 L HA 0.358 4.698 4.340 -0.000 0.000 0.270 1173 L C 0.919 177.720 176.870 -0.114 0.000 1.205 1173 L CA 0.092 54.918 54.840 -0.023 0.000 0.828 1173 L CB 0.402 42.299 42.059 -0.270 0.000 1.101 1173 L HN 0.485 nan 8.230 nan 0.000 0.479 1174 K N 2.421 122.657 120.400 -0.272 0.000 2.235 1174 K HA 0.528 4.848 4.320 -0.000 0.000 0.266 1174 K C -1.228 175.187 176.600 -0.307 0.000 0.980 1174 K CA -0.361 55.727 56.287 -0.332 0.000 0.849 1174 K CB 1.492 33.831 32.500 -0.269 0.000 1.098 1174 K HN 0.182 nan 8.250 nan 0.000 0.445 1175 F N 2.333 122.273 119.950 -0.018 0.000 2.538 1175 F HA 0.547 5.074 4.527 -0.001 0.000 0.325 1175 F C 0.182 176.087 175.800 0.175 0.000 1.066 1175 F CA -0.877 57.182 58.000 0.098 0.000 0.946 1175 F CB 1.341 40.398 39.000 0.095 0.000 1.199 1175 F HN 0.201 nan 8.300 nan 0.000 0.473 1176 I N 3.174 123.997 120.570 0.422 0.000 2.582 1176 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 1176 I C -1.010 175.367 176.117 0.433 0.000 1.066 1176 I CA -0.650 60.858 61.300 0.345 0.000 1.053 1176 I CB 2.337 40.444 38.000 0.178 0.000 1.241 1176 I HN 0.367 nan 8.210 nan 0.000 0.421 1177 I N 6.278 127.091 120.570 0.406 0.000 2.307 1177 I HA 0.325 4.494 4.170 -0.000 0.000 0.289 1177 I C -0.210 176.207 176.117 0.499 0.000 1.021 1177 I CA -0.575 60.972 61.300 0.412 0.000 1.224 1177 I CB 0.687 38.838 38.000 0.253 0.000 1.376 1177 I HN 0.387 nan 8.210 nan 0.000 0.470 1178 K N 6.549 127.238 120.400 0.482 0.000 2.156 1178 K HA 0.578 4.898 4.320 -0.000 0.000 0.250 1178 K C -0.421 176.370 176.600 0.319 0.000 0.955 1178 K CA -0.983 55.512 56.287 0.345 0.000 0.855 1178 K CB 1.947 34.607 32.500 0.268 0.000 1.101 1178 K HN 0.508 nan 8.250 nan 0.000 0.434 1179 R N 1.038 121.532 120.500 -0.010 0.000 2.594 1179 R HA 0.005 4.345 4.340 -0.000 0.000 0.272 1179 R C 0.852 177.245 176.300 0.155 0.000 1.074 1179 R CA -0.215 55.857 56.100 -0.046 0.000 1.105 1179 R CB 0.106 30.204 30.300 -0.337 0.000 1.008 1179 R HN 0.654 nan 8.270 nan 0.000 0.472 1180 Y N 1.663 122.046 120.300 0.137 0.000 2.224 1180 Y HA -0.111 4.439 4.550 -0.001 0.000 0.289 1180 Y C 0.381 176.324 175.900 0.070 0.000 1.146 1180 Y CA 1.319 59.500 58.100 0.135 0.000 1.182 1180 Y CB 0.608 39.173 38.460 0.175 0.000 0.983 1180 Y HN 0.436 nan 8.280 nan 0.000 0.524 1181 T N 2.752 117.370 114.554 0.108 0.000 2.856 1181 T HA 0.365 4.715 4.350 -0.000 0.000 0.283 1181 T C -2.672 172.011 174.700 -0.029 0.000 1.008 1181 T CA -1.470 60.632 62.100 0.004 0.000 0.997 1181 T CB 1.741 70.665 68.868 0.093 0.000 0.992 1181 T HN -0.141 nan 8.240 nan 0.000 0.454 1182 P HA 0.140 nan 4.420 nan 0.000 0.271 1182 P C 0.001 177.271 177.300 -0.051 0.000 1.216 1182 P CA -0.659 62.405 63.100 -0.061 0.000 0.771 1182 P CB 0.271 31.939 31.700 -0.054 0.000 0.864 1183 N N 3.490 122.147 118.700 -0.072 0.000 2.484 1183 N HA -0.077 4.663 4.740 -0.000 0.000 0.295 1183 N C 0.271 175.764 175.510 -0.029 0.000 1.240 1183 N CA 0.292 53.306 53.050 -0.061 0.000 1.085 1183 N CB -0.535 37.901 38.487 -0.084 0.000 1.465 1183 N HN 0.434 nan 8.380 nan 0.000 0.496 1184 N N 1.273 119.965 118.700 -0.015 0.000 2.171 1184 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 1184 N C -0.253 175.260 175.510 0.005 0.000 1.021 1184 N CA 0.660 53.707 53.050 -0.005 0.000 0.854 1184 N CB 0.154 38.641 38.487 -0.000 0.000 0.994 1184 N HN 0.712 nan 8.380 nan 0.000 0.426 1185 E N 1.759 121.967 120.200 0.012 0.000 2.220 1185 E HA 0.101 4.450 4.350 -0.000 0.000 0.272 1185 E C -0.410 176.205 176.600 0.025 0.000 1.099 1185 E CA -0.013 56.404 56.400 0.028 0.000 0.907 1185 E CB 0.846 30.571 29.700 0.042 0.000 1.022 1185 E HN 0.085 nan 8.360 nan 0.000 0.428 1186 I N 4.044 124.632 120.570 0.030 0.000 2.325 1186 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 1186 I C -0.727 175.428 176.117 0.064 0.000 1.019 1186 I CA 0.170 61.486 61.300 0.027 0.000 1.302 1186 I CB 0.830 38.839 38.000 0.015 0.000 1.401 1186 I HN 0.817 nan 8.210 nan 0.000 0.485 1187 D N 4.574 125.018 120.400 0.073 0.000 2.198 1187 D HA -0.017 4.622 4.640 -0.000 0.000 0.147 1187 D C -0.954 175.419 176.300 0.122 0.000 1.149 1187 D CA -0.260 53.829 54.000 0.150 0.000 1.107 1187 D CB 0.488 41.430 40.800 0.237 0.000 2.198 1187 D HN 0.308 nan 8.370 nan 0.000 0.584 1188 S N 3.078 118.718 115.700 -0.100 0.000 2.871 1188 S HA 0.288 4.758 4.470 -0.000 0.000 0.254 1188 S C -0.102 174.359 174.600 -0.232 0.000 1.088 1188 S CA -0.133 57.993 58.200 -0.123 0.000 1.166 1188 S CB -0.584 62.474 63.200 -0.237 0.000 0.826 1188 S HN 0.281 nan 8.310 nan 0.000 0.471 1189 F N 0.291 120.443 119.950 0.336 0.000 2.520 1189 F HA 0.418 4.944 4.527 -0.001 0.000 0.322 1189 F C 0.020 175.965 175.800 0.242 0.000 1.103 1189 F CA -1.158 57.006 58.000 0.272 0.000 0.926 1189 F CB 1.376 40.632 39.000 0.427 0.000 1.154 1189 F HN -0.235 nan 8.300 nan 0.000 0.453 1190 V N 3.872 123.868 119.914 0.137 0.000 2.427 1190 V HA 0.202 4.322 4.120 -0.000 0.000 0.268 1190 V C -0.030 176.108 176.094 0.072 0.000 1.046 1190 V CA -0.739 61.489 62.300 -0.119 0.000 0.970 1190 V CB 0.496 32.047 31.823 -0.453 0.000 1.001 1190 V HN 0.655 nan 8.190 nan 0.000 0.476 1191 K N 2.589 123.002 120.400 0.021 0.000 2.095 1191 K HA 0.472 4.791 4.320 -0.000 0.000 0.252 1191 K C 0.255 176.795 176.600 -0.101 0.000 0.977 1191 K CA -0.439 55.771 56.287 -0.128 0.000 0.900 1191 K CB 1.355 33.704 32.500 -0.253 0.000 1.060 1191 K HN 0.581 nan 8.250 nan 0.000 0.449 1192 S N 0.177 115.809 115.700 -0.114 0.000 2.549 1192 S HA 0.295 4.765 4.470 -0.000 0.000 0.283 1192 S C 1.088 175.619 174.600 -0.115 0.000 1.320 1192 S CA 1.171 59.313 58.200 -0.096 0.000 1.058 1192 S CB 0.038 63.194 63.200 -0.072 0.000 0.882 1192 S HN 0.841 nan 8.310 nan 0.000 0.498 1193 G N 3.919 112.633 108.800 -0.143 0.000 2.217 1193 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.246 1193 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.246 1193 G C -0.194 174.505 174.900 -0.335 0.000 0.990 1193 G CA 0.071 45.043 45.100 -0.213 0.000 0.627 1193 G HN 0.669 nan 8.290 nan 0.000 0.522 1194 D N 0.132 120.413 120.400 -0.198 0.000 2.362 1194 D HA 0.531 5.171 4.640 -0.000 0.000 0.242 1194 D C 0.228 176.403 176.300 -0.209 0.000 1.132 1194 D CA 0.127 54.069 54.000 -0.098 0.000 0.907 1194 D CB 0.323 41.193 40.800 0.116 0.000 1.195 1194 D HN 0.070 nan 8.370 nan 0.000 0.429 1195 F N 1.229 121.252 119.950 0.123 0.000 2.408 1195 F HA 0.409 4.936 4.527 -0.001 0.000 0.344 1195 F C 0.686 176.619 175.800 0.220 0.000 1.112 1195 F CA -0.787 57.272 58.000 0.100 0.000 1.096 1195 F CB 0.651 39.631 39.000 -0.033 0.000 1.129 1195 F HN 0.145 nan 8.300 nan 0.000 0.486 1196 I N -0.657 120.141 120.570 0.380 0.000 3.174 1196 I HA 0.656 4.826 4.170 -0.000 0.000 0.313 1196 I C -1.460 174.893 176.117 0.394 0.000 1.155 1196 I CA -1.169 60.374 61.300 0.406 0.000 0.977 1196 I CB 2.369 40.578 38.000 0.348 0.000 1.248 1196 I HN 0.318 nan 8.210 nan 0.000 0.453 1197 K N 2.224 122.857 120.400 0.388 0.000 2.221 1197 K HA 0.663 4.983 4.320 -0.000 0.000 0.258 1197 K C -1.530 175.216 176.600 0.243 0.000 0.944 1197 K CA -0.744 55.708 56.287 0.275 0.000 0.823 1197 K CB 2.230 34.894 32.500 0.273 0.000 1.113 1197 K HN 0.525 nan 8.250 nan 0.000 0.431 1198 L N 3.565 124.843 121.223 0.092 0.000 2.322 1198 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 1198 L C -1.617 175.292 176.870 0.065 0.000 1.014 1198 L CA -0.276 54.673 54.840 0.182 0.000 0.815 1198 L CB 0.607 42.761 42.059 0.158 0.000 1.247 1198 L HN 0.489 nan 8.230 nan 0.000 0.421 1199 Y N 3.026 123.494 120.300 0.279 0.000 2.524 1199 Y HA 0.666 5.215 4.550 -0.000 0.000 0.344 1199 Y C -0.285 175.710 175.900 0.158 0.000 1.012 1199 Y CA -0.843 57.378 58.100 0.202 0.000 1.068 1199 Y CB 2.117 40.653 38.460 0.127 0.000 1.249 1199 Y HN 0.229 nan 8.280 nan 0.000 0.468 1200 V N 1.338 121.359 119.914 0.179 0.000 2.483 1200 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 1200 V C -0.331 175.784 176.094 0.035 0.000 1.035 1200 V CA -0.670 61.560 62.300 -0.116 0.000 0.896 1200 V CB 1.815 33.525 31.823 -0.189 0.000 0.986 1200 V HN 0.768 nan 8.190 nan 0.000 0.447 1201 S N 4.567 120.248 115.700 -0.032 0.000 2.466 1201 S HA 0.455 4.925 4.470 -0.000 0.000 0.313 1201 S C -1.083 173.567 174.600 0.083 0.000 1.078 1201 S CA -0.288 57.920 58.200 0.014 0.000 1.115 1201 S CB -0.335 62.844 63.200 -0.035 0.000 1.006 1201 S HN 0.597 nan 8.310 nan 0.000 0.487 1202 Y N 5.063 125.377 120.300 0.024 0.000 2.376 1202 Y HA 0.363 4.913 4.550 -0.001 0.000 0.326 1202 Y C 0.405 176.351 175.900 0.076 0.000 0.970 1202 Y CA -0.584 57.552 58.100 0.060 0.000 1.248 1202 Y CB 0.465 38.998 38.460 0.123 0.000 1.117 1202 Y HN 0.751 nan 8.280 nan 0.000 0.476 1203 N N 5.406 123.995 118.700 -0.186 0.000 2.681 1203 N HA -0.304 4.436 4.740 -0.000 0.000 0.259 1203 N C -0.299 175.194 175.510 -0.027 0.000 1.066 1203 N CA 1.156 54.128 53.050 -0.130 0.000 0.717 1203 N CB -0.706 37.675 38.487 -0.176 0.000 0.885 1203 N HN 0.944 nan 8.380 nan 0.000 0.547 1204 N N -0.304 118.372 118.700 -0.040 0.000 2.693 1204 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 1204 N C -1.410 174.072 175.510 -0.046 0.000 1.119 1204 N CA 1.350 54.377 53.050 -0.039 0.000 0.717 1204 N CB -0.478 37.989 38.487 -0.033 0.000 1.071 1204 N HN 0.560 nan 8.380 nan 0.000 0.555 1205 N N 0.289 118.956 118.700 -0.054 0.000 2.242 1205 N HA 0.288 5.028 4.740 -0.000 0.000 0.292 1205 N C -1.032 174.311 175.510 -0.277 0.000 1.125 1205 N CA -0.450 52.496 53.050 -0.173 0.000 0.783 1205 N CB 1.239 39.613 38.487 -0.187 0.000 1.558 1205 N HN 0.146 nan 8.380 nan 0.000 0.472 1206 E N 0.577 120.585 120.200 -0.319 0.000 2.175 1206 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 1206 E C -0.988 175.491 176.600 -0.201 0.000 0.969 1206 E CA -0.360 55.934 56.400 -0.177 0.000 0.796 1206 E CB 1.158 30.746 29.700 -0.188 0.000 1.104 1206 E HN 0.421 nan 8.360 nan 0.000 0.395 1207 H N 1.653 120.887 119.070 0.274 0.000 2.658 1207 H HA 0.300 4.856 4.556 -0.000 0.000 0.337 1207 H C -0.424 175.006 175.328 0.169 0.000 1.009 1207 H CA -0.669 55.495 56.048 0.194 0.000 1.231 1207 H CB 1.393 31.205 29.762 0.083 0.000 1.508 1207 H HN 0.409 nan 8.280 nan 0.000 0.517 1208 I N 3.490 124.149 120.570 0.149 0.000 2.754 1208 I HA 0.046 4.216 4.170 -0.000 0.000 0.285 1208 I C -0.420 175.682 176.117 -0.025 0.000 1.166 1208 I CA -0.196 60.974 61.300 -0.217 0.000 1.417 1208 I CB 0.440 38.264 38.000 -0.293 0.000 1.382 1208 I HN 0.309 nan 8.210 nan 0.000 0.588 1209 V N 6.627 126.517 119.914 -0.040 0.000 2.472 1209 V HA 0.812 4.932 4.120 -0.000 0.000 0.290 1209 V C 0.473 176.604 176.094 0.062 0.000 1.037 1209 V CA -0.023 62.317 62.300 0.067 0.000 0.908 1209 V CB 0.950 32.847 31.823 0.124 0.000 0.985 1209 V HN 0.987 nan 8.190 nan 0.000 0.454 1210 G N 2.757 111.614 108.800 0.095 0.000 2.550 1210 G HA2 0.487 4.446 3.960 -0.000 0.000 0.293 1210 G HA3 0.487 4.446 3.960 -0.000 0.000 0.293 1210 G C -2.412 172.579 174.900 0.152 0.000 1.402 1210 G CA -0.545 44.626 45.100 0.117 0.000 0.784 1210 G HN 0.476 nan 8.290 nan 0.000 0.482 1211 Y N 1.599 121.920 120.300 0.035 0.000 2.328 1211 Y HA 0.675 5.225 4.550 -0.001 0.000 0.336 1211 Y C -2.415 173.430 175.900 -0.091 0.000 0.960 1211 Y CA -2.868 55.230 58.100 -0.003 0.000 1.134 1211 Y CB 2.682 41.196 38.460 0.089 0.000 1.166 1211 Y HN 0.334 nan 8.280 nan 0.000 0.464 1212 P HA 0.185 nan 4.420 nan 0.000 0.286 1212 P C -1.043 175.673 177.300 -0.973 0.000 1.269 1212 P CA -0.610 61.951 63.100 -0.898 0.000 0.787 1212 P CB 1.018 31.979 31.700 -1.232 0.000 0.920 1213 K N 2.904 122.942 120.400 -0.603 0.000 2.547 1213 K HA -0.169 4.150 4.320 -0.000 0.000 0.275 1213 K C 0.268 176.706 176.600 -0.270 0.000 1.001 1213 K CA 0.933 57.064 56.287 -0.260 0.000 1.111 1213 K CB -0.419 31.985 32.500 -0.159 0.000 0.832 1213 K HN 0.528 nan 8.250 nan 0.000 0.485 1214 D N 0.805 121.140 120.400 -0.109 0.000 3.018 1214 D HA -0.182 4.458 4.640 -0.000 0.000 0.224 1214 D C 0.366 176.587 176.300 -0.132 0.000 1.185 1214 D CA 1.413 55.378 54.000 -0.057 0.000 0.858 1214 D CB -1.592 39.189 40.800 -0.033 0.000 1.112 1214 D HN 0.747 nan 8.370 nan 0.000 0.415 1215 G N 0.562 109.149 108.800 -0.356 0.000 2.554 1215 G HA2 0.100 4.060 3.960 -0.000 0.000 0.238 1215 G HA3 0.100 4.060 3.960 -0.000 0.000 0.238 1215 G C 0.331 175.222 174.900 -0.015 0.000 1.259 1215 G CA -0.124 44.791 45.100 -0.307 0.000 0.843 1215 G HN 0.333 nan 8.290 nan 0.000 0.582 1216 N N -0.096 118.578 118.700 -0.044 0.000 2.292 1216 N HA 0.307 5.047 4.740 -0.000 0.000 0.242 1216 N C 0.056 175.515 175.510 -0.085 0.000 1.243 1216 N CA 0.626 53.630 53.050 -0.077 0.000 0.851 1216 N CB 0.205 38.611 38.487 -0.135 0.000 1.093 1216 N HN 0.747 nan 8.380 nan 0.000 0.450 1217 A N 1.958 124.654 122.820 -0.206 0.000 2.608 1217 A HA 0.532 4.852 4.320 -0.000 0.000 0.292 1217 A C -1.685 175.706 177.584 -0.321 0.000 1.066 1217 A CA -0.657 51.228 52.037 -0.254 0.000 0.676 1217 A CB 0.674 19.623 19.000 -0.086 0.000 1.277 1217 A HN 0.516 nan 8.150 nan 0.000 0.413 1218 F N 1.783 121.680 119.950 -0.089 0.000 2.404 1218 F HA 0.371 4.898 4.527 -0.001 0.000 0.339 1218 F C 1.242 176.948 175.800 -0.156 0.000 1.105 1218 F CA -0.587 57.346 58.000 -0.112 0.000 1.087 1218 F CB 0.922 39.842 39.000 -0.134 0.000 1.143 1218 F HN 0.626 nan 8.300 nan 0.000 0.491 1219 N N 2.920 121.677 118.700 0.096 0.000 2.677 1219 N HA -0.384 4.356 4.740 -0.000 0.000 0.249 1219 N C 0.907 176.410 175.510 -0.011 0.000 1.073 1219 N CA 1.450 54.510 53.050 0.016 0.000 0.737 1219 N CB -1.127 37.340 38.487 -0.033 0.000 0.999 1219 N HN 1.021 nan 8.380 nan 0.000 0.543 1220 N N -1.803 116.890 118.700 -0.011 0.000 2.921 1220 N HA -0.265 4.475 4.740 -0.000 0.000 0.205 1220 N C 0.146 175.634 175.510 -0.036 0.000 0.945 1220 N CA 1.451 54.491 53.050 -0.016 0.000 1.048 1220 N CB -1.067 37.417 38.487 -0.004 0.000 0.981 1220 N HN 0.360 nan 8.380 nan 0.000 0.590 1221 L N -0.012 121.174 121.223 -0.062 0.000 2.948 1221 L HA 0.301 4.641 4.340 -0.000 0.000 0.259 1221 L C -0.741 176.060 176.870 -0.116 0.000 1.136 1221 L CA -0.144 54.652 54.840 -0.074 0.000 0.959 1221 L CB 0.542 42.575 42.059 -0.044 0.000 1.370 1221 L HN 0.023 nan 8.230 nan 0.000 0.552 1222 D N 1.997 122.311 120.400 -0.143 0.000 2.456 1222 D HA 0.216 4.855 4.640 -0.000 0.000 0.219 1222 D C -0.054 176.166 176.300 -0.133 0.000 1.126 1222 D CA -0.099 53.818 54.000 -0.138 0.000 0.890 1222 D CB 0.630 41.297 40.800 -0.221 0.000 1.025 1222 D HN -0.010 nan 8.370 nan 0.000 0.511 1223 R N 2.012 122.372 120.500 -0.233 0.000 2.316 1223 R HA 0.322 4.662 4.340 -0.000 0.000 0.314 1223 R C 0.389 176.597 176.300 -0.153 0.000 1.069 1223 R CA -0.380 55.474 56.100 -0.409 0.000 0.959 1223 R CB 0.891 30.537 30.300 -1.090 0.000 0.987 1223 R HN 0.331 nan 8.270 nan 0.000 0.446 1224 I N 5.011 125.570 120.570 -0.018 0.000 2.471 1224 I HA 0.024 4.194 4.170 -0.000 0.000 0.286 1224 I C 0.595 176.817 176.117 0.175 0.000 1.079 1224 I CA -0.048 61.286 61.300 0.057 0.000 1.398 1224 I CB 0.398 38.355 38.000 -0.070 0.000 1.403 1224 I HN 0.331 nan 8.210 nan 0.000 0.530 1225 L N 7.099 128.427 121.223 0.174 0.000 2.453 1225 L HA 0.459 4.799 4.340 -0.000 0.000 0.261 1225 L C 0.214 177.192 176.870 0.180 0.000 1.179 1225 L CA -0.620 54.329 54.840 0.181 0.000 0.813 1225 L CB 0.221 42.366 42.059 0.143 0.000 1.110 1225 L HN 0.542 nan 8.230 nan 0.000 0.466 1226 R N 1.059 121.648 120.500 0.147 0.000 2.673 1226 R HA 0.523 4.863 4.340 -0.000 0.000 0.281 1226 R C -1.439 174.934 176.300 0.122 0.000 0.991 1226 R CA -0.811 55.375 56.100 0.143 0.000 0.896 1226 R CB 1.947 32.328 30.300 0.135 0.000 1.201 1226 R HN 0.281 nan 8.270 nan 0.000 0.457 1227 V N 1.229 121.193 119.914 0.084 0.000 2.311 1227 V HA 0.434 4.553 4.120 -0.000 0.000 0.275 1227 V C 1.113 177.213 176.094 0.010 0.000 1.022 1227 V CA 0.145 62.473 62.300 0.047 0.000 0.830 1227 V CB 0.883 32.692 31.823 -0.022 0.000 1.012 1227 V HN 1.066 nan 8.190 nan 0.000 0.452 1228 G N 3.813 112.667 108.800 0.090 0.000 2.132 1228 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.234 1228 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.234 1228 G C -0.001 174.934 174.900 0.060 0.000 0.989 1228 G CA 0.058 45.208 45.100 0.083 0.000 0.676 1228 G HN 0.863 nan 8.290 nan 0.000 0.522 1229 Y N 1.766 122.056 120.300 -0.017 0.000 2.811 1229 Y HA 0.274 4.824 4.550 -0.001 0.000 0.334 1229 Y C 0.958 176.844 175.900 -0.024 0.000 1.247 1229 Y CA 1.129 59.210 58.100 -0.031 0.000 1.526 1229 Y CB 0.585 39.020 38.460 -0.043 0.000 1.284 1229 Y HN 0.405 nan 8.280 nan 0.000 0.586 1230 N N 3.806 122.225 118.700 -0.468 0.000 2.646 1230 N HA 0.286 5.026 4.740 -0.000 0.000 0.296 1230 N C -1.628 173.700 175.510 -0.304 0.000 1.886 1230 N CA -0.193 52.711 53.050 -0.244 0.000 0.855 1230 N CB 0.158 38.563 38.487 -0.136 0.000 1.336 1230 N HN 0.564 nan 8.380 nan 0.000 0.496 1231 A N 1.182 123.796 122.820 -0.343 0.000 2.289 1231 A HA 0.627 4.947 4.320 -0.000 0.000 0.298 1231 A C -2.307 175.253 177.584 -0.039 0.000 1.208 1231 A CA -1.216 50.715 52.037 -0.178 0.000 0.845 1231 A CB 0.101 19.068 19.000 -0.055 0.000 1.125 1231 A HN 0.278 nan 8.150 nan 0.000 0.517 1232 P HA 0.260 nan 4.420 nan 0.000 0.262 1232 P C 1.090 178.386 177.300 -0.005 0.000 1.199 1232 P CA 1.676 64.764 63.100 -0.021 0.000 0.763 1232 P CB 0.684 32.370 31.700 -0.024 0.000 0.790 1233 G N 3.076 111.876 108.800 -0.001 0.000 2.258 1233 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.233 1233 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.233 1233 G C 0.067 174.966 174.900 -0.002 0.000 1.006 1233 G CA -0.339 44.761 45.100 0.000 0.000 0.620 1233 G HN 0.512 nan 8.290 nan 0.000 0.511 1234 I N 2.972 123.547 120.570 0.009 0.000 2.312 1234 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 1234 I C -2.109 173.964 176.117 -0.072 0.000 1.008 1234 I CA -2.116 59.177 61.300 -0.012 0.000 1.226 1234 I CB 1.616 39.653 38.000 0.062 0.000 1.371 1234 I HN -0.114 nan 8.210 nan 0.000 0.468 1235 P HA 0.094 nan 4.420 nan 0.000 0.267 1235 P C -0.836 176.140 177.300 -0.539 0.000 1.209 1235 P CA -0.262 62.661 63.100 -0.295 0.000 0.763 1235 P CB 0.556 32.077 31.700 -0.298 0.000 0.816 1236 L N 5.567 126.558 121.223 -0.385 0.000 2.294 1236 L HA 0.383 4.722 4.340 -0.000 0.000 0.283 1236 L C -1.189 175.526 176.870 -0.258 0.000 1.015 1236 L CA -0.726 53.916 54.840 -0.331 0.000 0.831 1236 L CB 0.114 42.124 42.059 -0.080 0.000 1.217 1236 L HN 0.201 nan 8.230 nan 0.000 0.420 1237 Y N 4.545 124.874 120.300 0.048 0.000 2.436 1237 Y HA 0.318 4.868 4.550 -0.001 0.000 0.343 1237 Y C 0.672 176.646 175.900 0.124 0.000 1.008 1237 Y CA -0.491 57.675 58.100 0.111 0.000 1.241 1237 Y CB 0.551 39.103 38.460 0.153 0.000 1.153 1237 Y HN 0.590 nan 8.280 nan 0.000 0.521 1238 K N 0.410 120.979 120.400 0.281 0.000 2.536 1238 K HA 0.205 4.524 4.320 -0.000 0.000 0.203 1238 K C -0.262 176.487 176.600 0.248 0.000 1.063 1238 K CA -0.534 55.881 56.287 0.214 0.000 1.063 1238 K CB 0.718 33.303 32.500 0.142 0.000 0.843 1238 K HN 0.258 nan 8.250 nan 0.000 0.521 1239 K N 2.167 122.716 120.400 0.249 0.000 2.263 1239 K HA 0.304 4.624 4.320 -0.000 0.000 0.282 1239 K C -0.776 175.980 176.600 0.260 0.000 1.089 1239 K CA -0.234 56.140 56.287 0.145 0.000 0.907 1239 K CB 0.426 32.861 32.500 -0.108 0.000 1.148 1239 K HN 0.138 nan 8.250 nan 0.000 0.470 1240 M N 2.583 122.336 119.600 0.255 0.000 2.644 1240 M HA 0.306 4.785 4.480 -0.000 0.000 0.316 1240 M C -0.620 175.849 176.300 0.282 0.000 1.200 1240 M CA -0.808 54.645 55.300 0.254 0.000 0.944 1240 M CB 2.049 34.742 32.600 0.155 0.000 1.691 1240 M HN 0.544 nan 8.290 nan 0.000 0.471 1241 E N 1.207 121.523 120.200 0.193 0.000 2.199 1241 E HA 0.618 4.967 4.350 -0.000 0.000 0.265 1241 E C -1.557 175.022 176.600 -0.036 0.000 0.882 1241 E CA -0.633 55.752 56.400 -0.026 0.000 0.759 1241 E CB 1.750 31.432 29.700 -0.030 0.000 1.148 1241 E HN 0.789 nan 8.360 nan 0.000 0.412 1242 A N 4.173 126.946 122.820 -0.078 0.000 2.269 1242 A HA 0.539 4.859 4.320 -0.000 0.000 0.302 1242 A C -0.291 177.243 177.584 -0.083 0.000 1.266 1242 A CA -0.458 51.539 52.037 -0.066 0.000 0.894 1242 A CB 0.298 19.242 19.000 -0.093 0.000 1.147 1242 A HN 0.489 nan 8.150 nan 0.000 0.537 1243 V N -0.209 119.677 119.914 -0.045 0.000 3.102 1243 V HA 0.821 4.941 4.120 -0.000 0.000 0.312 1243 V C -0.616 175.471 176.094 -0.012 0.000 1.135 1243 V CA -1.204 61.075 62.300 -0.035 0.000 1.022 1243 V CB 1.954 33.772 31.823 -0.008 0.000 1.056 1243 V HN 0.709 nan 8.190 nan 0.000 0.436 1244 K N 1.495 121.889 120.400 -0.009 0.000 2.389 1244 K HA 0.656 4.976 4.320 -0.000 0.000 0.261 1244 K C -0.400 176.205 176.600 0.009 0.000 1.014 1244 K CA -0.467 55.823 56.287 0.005 0.000 0.920 1244 K CB 1.152 33.657 32.500 0.008 0.000 1.149 1244 K HN 0.644 nan 8.250 nan 0.000 0.444 1245 L N 3.501 124.733 121.223 0.015 0.000 2.638 1245 L HA 0.347 4.687 4.340 -0.000 0.000 0.232 1245 L C 0.032 176.911 176.870 0.015 0.000 1.099 1245 L CA 0.619 55.475 54.840 0.026 0.000 0.883 1245 L CB -0.460 41.631 42.059 0.053 0.000 1.136 1245 L HN 0.702 nan 8.230 nan 0.000 0.492 1246 R N -3.310 117.192 120.500 0.003 0.000 2.728 1246 R HA 0.331 4.671 4.340 -0.000 0.000 0.274 1246 R C -1.143 175.155 176.300 -0.004 0.000 1.030 1246 R CA -0.861 55.238 56.100 -0.002 0.000 0.876 1246 R CB 0.371 30.666 30.300 -0.008 0.000 1.259 1246 R HN -0.223 nan 8.270 nan 0.000 0.468 1247 D N 0.236 120.633 120.400 -0.004 0.000 2.760 1247 D HA -0.140 4.500 4.640 -0.000 0.000 0.244 1247 D C 0.530 176.835 176.300 0.009 0.000 1.123 1247 D CA 0.767 54.767 54.000 -0.000 0.000 0.719 1247 D CB -0.222 40.573 40.800 -0.007 0.000 1.045 1247 D HN 0.638 nan 8.370 nan 0.000 0.426 1248 L N 1.237 122.460 121.223 0.001 0.000 2.034 1248 L HA -0.238 4.101 4.340 -0.000 0.000 0.217 1248 L C 2.093 178.970 176.870 0.011 0.000 1.077 1248 L CA 2.307 57.147 54.840 0.000 0.000 0.769 1248 L CB -0.129 41.909 42.059 -0.034 0.000 0.890 1248 L HN 0.228 nan 8.230 nan 0.000 0.435 1249 K N -1.294 119.098 120.400 -0.012 0.000 2.525 1249 K HA 0.041 4.361 4.320 -0.000 0.000 0.192 1249 K C 0.202 176.768 176.600 -0.056 0.000 1.029 1249 K CA 0.368 56.654 56.287 -0.002 0.000 1.029 1249 K CB -0.173 32.352 32.500 0.042 0.000 0.814 1249 K HN 0.315 nan 8.250 nan 0.000 0.503 1250 T N 0.825 115.362 114.554 -0.029 0.000 2.829 1250 T HA 0.188 4.538 4.350 -0.000 0.000 0.282 1250 T C -0.589 174.153 174.700 0.070 0.000 0.990 1250 T CA -0.533 61.535 62.100 -0.053 0.000 1.028 1250 T CB 0.511 69.403 68.868 0.039 0.000 0.951 1250 T HN -0.014 nan 8.240 nan 0.000 0.460 1251 Y N 3.059 123.490 120.300 0.217 0.000 2.623 1251 Y HA 0.356 4.905 4.550 -0.000 0.000 0.341 1251 Y C 1.255 177.333 175.900 0.296 0.000 1.292 1251 Y CA -1.163 57.058 58.100 0.202 0.000 1.840 1251 Y CB -1.129 37.416 38.460 0.141 0.000 1.865 1251 Y HN 0.541 nan 8.280 nan 0.000 0.440 1252 S N -0.527 115.354 115.700 0.302 0.000 2.634 1252 S HA 0.933 5.402 4.470 -0.000 0.000 0.296 1252 S C -0.900 173.795 174.600 0.158 0.000 1.104 1252 S CA -0.828 57.489 58.200 0.195 0.000 0.920 1252 S CB 2.303 65.500 63.200 -0.004 0.000 1.111 1252 S HN 0.024 nan 8.310 nan 0.000 0.493 1253 V N 1.073 121.105 119.914 0.198 0.000 2.962 1253 V HA 0.618 4.737 4.120 -0.000 0.000 0.313 1253 V C -1.117 175.094 176.094 0.194 0.000 1.099 1253 V CA -0.744 61.657 62.300 0.168 0.000 0.971 1253 V CB 2.131 34.050 31.823 0.161 0.000 1.028 1253 V HN 0.963 nan 8.190 nan 0.000 0.430 1254 Q N 2.075 121.942 119.800 0.111 0.000 2.387 1254 Q HA 0.797 5.136 4.340 -0.000 0.000 0.273 1254 Q C -1.474 174.569 176.000 0.071 0.000 1.089 1254 Q CA -0.345 55.518 55.803 0.099 0.000 0.824 1254 Q CB 2.623 31.366 28.738 0.008 0.000 1.367 1254 Q HN 0.597 nan 8.270 nan 0.000 0.443 1255 L N 1.089 122.343 121.223 0.052 0.000 2.385 1255 L HA 0.590 4.930 4.340 -0.000 0.000 0.273 1255 L C -0.593 176.282 176.870 0.007 0.000 0.990 1255 L CA -0.784 54.066 54.840 0.017 0.000 0.821 1255 L CB 1.817 43.859 42.059 -0.030 0.000 1.279 1255 L HN 0.330 nan 8.230 nan 0.000 0.412 1256 K N 3.224 123.633 120.400 0.014 0.000 2.274 1256 K HA 0.494 4.814 4.320 -0.000 0.000 0.262 1256 K C -1.370 175.167 176.600 -0.105 0.000 0.961 1256 K CA -0.812 55.459 56.287 -0.026 0.000 0.833 1256 K CB 2.006 34.502 32.500 -0.006 0.000 1.102 1256 K HN 0.362 nan 8.250 nan 0.000 0.436 1257 L N 4.600 125.745 121.223 -0.129 0.000 2.325 1257 L HA 0.401 4.741 4.340 -0.000 0.000 0.279 1257 L C -1.489 175.229 176.870 -0.255 0.000 1.054 1257 L CA -0.109 54.684 54.840 -0.079 0.000 0.804 1257 L CB 0.624 42.688 42.059 0.008 0.000 1.200 1257 L HN 0.526 nan 8.230 nan 0.000 0.436 1258 Y N 1.861 122.201 120.300 0.066 0.000 2.509 1258 Y HA 0.420 4.970 4.550 -0.000 0.000 0.341 1258 Y C 0.041 175.910 175.900 -0.052 0.000 1.038 1258 Y CA -0.826 57.277 58.100 0.006 0.000 1.089 1258 Y CB 1.492 39.951 38.460 -0.002 0.000 1.241 1258 Y HN 0.765 nan 8.280 nan 0.000 0.468 1259 D N -0.827 119.555 120.400 -0.030 0.000 2.507 1259 D HA 0.025 4.664 4.640 -0.000 0.000 0.280 1259 D C 0.434 176.648 176.300 -0.144 0.000 1.219 1259 D CA -0.331 53.395 54.000 -0.456 0.000 1.085 1259 D CB 0.134 40.405 40.800 -0.882 0.000 1.134 1259 D HN 0.580 nan 8.370 nan 0.000 0.583 1260 D N -1.492 118.822 120.400 -0.142 0.000 2.348 1260 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 1260 D C 0.243 176.575 176.300 0.054 0.000 0.970 1260 D CA 0.682 54.780 54.000 0.164 0.000 0.889 1260 D CB -0.174 40.849 40.800 0.372 0.000 0.912 1260 D HN 0.114 nan 8.370 nan 0.000 0.524 1261 K N 0.806 121.197 120.400 -0.016 0.000 3.239 1261 K HA 0.158 4.477 4.320 -0.000 0.000 0.204 1261 K C -0.429 176.149 176.600 -0.036 0.000 1.126 1261 K CA -0.718 55.557 56.287 -0.021 0.000 0.948 1261 K CB -0.022 32.474 32.500 -0.007 0.000 0.818 1261 K HN -0.090 nan 8.250 nan 0.000 0.480 1262 N N 0.571 119.242 118.700 -0.048 0.000 2.725 1262 N HA -0.212 4.527 4.740 -0.000 0.000 0.251 1262 N C -0.572 175.005 175.510 0.111 0.000 1.031 1262 N CA 1.072 54.093 53.050 -0.048 0.000 0.720 1262 N CB -1.129 37.241 38.487 -0.195 0.000 0.930 1262 N HN 0.505 nan 8.380 nan 0.000 0.543 1263 A N -0.446 122.463 122.820 0.148 0.000 2.340 1263 A HA 0.662 4.982 4.320 -0.000 0.000 0.331 1263 A C 0.407 178.053 177.584 0.103 0.000 1.140 1263 A CA -0.370 51.730 52.037 0.106 0.000 0.801 1263 A CB 1.480 20.478 19.000 -0.003 0.000 1.234 1263 A HN 0.244 nan 8.150 nan 0.000 0.469 1264 S N 1.532 117.226 115.700 -0.010 0.000 2.488 1264 S HA 0.281 4.751 4.470 -0.000 0.000 0.278 1264 S C 0.644 175.183 174.600 -0.101 0.000 1.259 1264 S CA -0.452 57.643 58.200 -0.175 0.000 1.061 1264 S CB -0.333 62.758 63.200 -0.180 0.000 0.910 1264 S HN 0.562 nan 8.310 nan 0.000 0.491 1265 L N 4.896 126.043 121.223 -0.125 0.000 2.567 1265 L HA 0.374 4.713 4.340 -0.000 0.000 0.225 1265 L C 1.354 178.201 176.870 -0.039 0.000 1.119 1265 L CA 0.379 55.164 54.840 -0.092 0.000 0.871 1265 L CB -0.689 41.312 42.059 -0.097 0.000 1.036 1265 L HN 0.989 nan 8.230 nan 0.000 0.459 1266 G N -0.002 108.816 108.800 0.030 0.000 2.343 1266 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.562 1266 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.562 1266 G C -1.248 173.716 174.900 0.106 0.000 1.269 1266 G CA -1.016 44.183 45.100 0.165 0.000 1.011 1266 G HN -0.083 nan 8.290 nan 0.000 0.498 1267 L N 0.153 121.414 121.223 0.063 0.000 2.325 1267 L HA 0.574 4.914 4.340 -0.000 0.000 0.279 1267 L C 0.977 177.880 176.870 0.056 0.000 1.054 1267 L CA -1.200 53.630 54.840 -0.018 0.000 0.804 1267 L CB 1.653 43.579 42.059 -0.221 0.000 1.200 1267 L HN 0.456 nan 8.230 nan 0.000 0.436 1268 V N 2.394 122.330 119.914 0.037 0.000 2.599 1268 V HA 0.373 4.493 4.120 -0.000 0.000 0.300 1268 V C 0.802 177.044 176.094 0.247 0.000 1.034 1268 V CA 0.677 63.032 62.300 0.091 0.000 1.115 1268 V CB 0.452 32.212 31.823 -0.103 0.000 0.934 1268 V HN 0.999 nan 8.190 nan 0.000 0.485 1269 G N 3.792 112.792 108.800 0.333 0.000 2.815 1269 G HA2 0.782 4.741 3.960 -0.000 0.000 0.305 1269 G HA3 0.782 4.741 3.960 -0.000 0.000 0.305 1269 G C -0.630 174.525 174.900 0.426 0.000 1.277 1269 G CA 0.126 45.437 45.100 0.351 0.000 0.795 1269 G HN 0.778 nan 8.290 nan 0.000 0.528 1270 T N -2.982 111.770 114.554 0.330 0.000 2.916 1270 T HA 0.709 5.059 4.350 -0.000 0.000 0.292 1270 T C -1.281 173.539 174.700 0.199 0.000 1.055 1270 T CA -0.627 61.629 62.100 0.261 0.000 1.009 1270 T CB 2.293 71.272 68.868 0.184 0.000 1.118 1270 T HN 0.833 nan 8.240 nan 0.000 0.497 1271 H N 0.814 119.897 119.070 0.022 0.000 2.865 1271 H HA 0.454 5.010 4.556 -0.000 0.000 0.362 1271 H C -0.845 174.320 175.328 -0.272 0.000 1.114 1271 H CA -0.549 55.404 56.048 -0.158 0.000 1.208 1271 H CB 1.596 31.258 29.762 -0.166 0.000 1.727 1271 H HN 0.726 nan 8.280 nan 0.000 0.534 1272 N N 2.894 121.121 118.700 -0.789 0.000 2.488 1272 N HA 0.439 5.178 4.740 -0.000 0.000 0.274 1272 N C -0.327 174.712 175.510 -0.784 0.000 1.111 1272 N CA 0.820 53.510 53.050 -0.601 0.000 0.974 1272 N CB 1.017 39.215 38.487 -0.480 0.000 1.089 1272 N HN 0.881 nan 8.380 nan 0.000 0.465 1273 G N 1.703 110.158 108.800 -0.574 0.000 2.489 1273 G HA2 0.382 4.341 3.960 -0.000 0.000 0.305 1273 G HA3 0.382 4.341 3.960 -0.000 0.000 0.305 1273 G C -2.086 172.725 174.900 -0.148 0.000 1.311 1273 G CA -0.599 44.181 45.100 -0.534 0.000 0.813 1273 G HN 0.666 nan 8.290 nan 0.000 0.480 1274 Q N -1.109 118.702 119.800 0.018 0.000 2.389 1274 Q HA 0.805 5.145 4.340 -0.000 0.000 0.277 1274 Q C -1.452 174.591 176.000 0.072 0.000 1.082 1274 Q CA -0.855 54.966 55.803 0.031 0.000 0.810 1274 Q CB 2.573 31.310 28.738 -0.001 0.000 1.374 1274 Q HN 0.576 nan 8.270 nan 0.000 0.422 1275 I N 1.367 121.944 120.570 0.011 0.000 2.582 1275 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 1275 I C 0.429 176.566 176.117 0.033 0.000 1.066 1275 I CA -1.108 60.185 61.300 -0.012 0.000 1.053 1275 I CB 2.153 40.055 38.000 -0.164 0.000 1.241 1275 I HN 1.052 nan 8.210 nan 0.000 0.421 1276 G N 5.978 114.798 108.800 0.033 0.000 2.385 1276 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.284 1276 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.284 1276 G C 0.766 175.689 174.900 0.038 0.000 0.899 1276 G CA 1.248 46.372 45.100 0.040 0.000 1.204 1276 G HN 1.302 nan 8.290 nan 0.000 0.486 1277 N N -1.737 116.979 118.700 0.027 0.000 2.732 1277 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 1277 N C -0.110 175.412 175.510 0.020 0.000 1.097 1277 N CA 2.083 55.145 53.050 0.020 0.000 0.812 1277 N CB -1.700 36.797 38.487 0.017 0.000 1.148 1277 N HN 0.592 nan 8.380 nan 0.000 0.572 1278 D N 0.469 120.889 120.400 0.033 0.000 2.371 1278 D HA 0.327 4.967 4.640 -0.000 0.000 0.242 1278 D C -1.833 174.467 176.300 0.000 0.000 1.218 1278 D CA -0.829 53.184 54.000 0.022 0.000 0.945 1278 D CB 0.244 41.083 40.800 0.065 0.000 1.137 1278 D HN 0.224 nan 8.370 nan 0.000 0.464 1279 P HA 0.002 nan 4.420 nan 0.000 0.271 1279 P C 0.039 177.318 177.300 -0.035 0.000 1.244 1279 P CA -0.384 62.699 63.100 -0.028 0.000 0.793 1279 P CB 0.427 32.105 31.700 -0.035 0.000 0.984 1280 N N 1.837 120.516 118.700 -0.035 0.000 2.468 1280 N HA 0.026 4.766 4.740 -0.000 0.000 0.265 1280 N C -0.484 175.001 175.510 -0.042 0.000 1.199 1280 N CA 0.314 53.334 53.050 -0.050 0.000 0.928 1280 N CB 0.170 38.622 38.487 -0.057 0.000 1.059 1280 N HN 0.289 nan 8.380 nan 0.000 0.467 1281 R N 1.677 122.153 120.500 -0.041 0.000 2.774 1281 R HA 0.274 4.614 4.340 -0.000 0.000 0.272 1281 R C -1.413 174.902 176.300 0.025 0.000 1.000 1281 R CA -0.830 55.286 56.100 0.026 0.000 0.906 1281 R CB 1.503 31.839 30.300 0.060 0.000 1.227 1281 R HN 0.521 nan 8.270 nan 0.000 0.468 1282 D N 2.298 122.753 120.400 0.092 0.000 2.347 1282 D HA 0.274 4.914 4.640 -0.000 0.000 0.235 1282 D C -0.277 176.151 176.300 0.214 0.000 1.149 1282 D CA 0.186 54.230 54.000 0.074 0.000 0.850 1282 D CB 1.214 42.043 40.800 0.047 0.000 1.061 1282 D HN 0.241 nan 8.370 nan 0.000 0.487 1283 I N 2.434 123.133 120.570 0.215 0.000 2.493 1283 I HA 0.173 4.343 4.170 -0.000 0.000 0.298 1283 I C 0.318 176.631 176.117 0.326 0.000 0.998 1283 I CA -0.859 60.642 61.300 0.334 0.000 1.137 1283 I CB 1.956 40.151 38.000 0.324 0.000 1.310 1283 I HN 0.086 nan 8.210 nan 0.000 0.445 1284 L N 6.700 128.124 121.223 0.335 0.000 2.410 1284 L HA 0.323 4.663 4.340 -0.000 0.000 0.273 1284 L C -0.234 176.785 176.870 0.247 0.000 1.144 1284 L CA 0.017 55.030 54.840 0.289 0.000 0.863 1284 L CB 0.201 42.394 42.059 0.222 0.000 1.140 1284 L HN 0.501 nan 8.230 nan 0.000 0.463 1285 I N 0.909 121.620 120.570 0.234 0.000 3.239 1285 I HA 0.911 5.081 4.170 -0.000 0.000 0.314 1285 I C -0.480 175.717 176.117 0.133 0.000 1.126 1285 I CA -0.928 60.472 61.300 0.167 0.000 0.973 1285 I CB 1.990 40.099 38.000 0.182 0.000 1.252 1285 I HN 0.443 nan 8.210 nan 0.000 0.463 1286 A N 1.220 124.067 122.820 0.046 0.000 2.343 1286 A HA 0.887 5.207 4.320 -0.000 0.000 0.316 1286 A C -0.631 176.969 177.584 0.026 0.000 1.104 1286 A CA -0.413 51.652 52.037 0.047 0.000 0.768 1286 A CB 1.193 20.181 19.000 -0.021 0.000 1.213 1286 A HN 0.897 nan 8.150 nan 0.000 0.456 1287 S N 0.907 116.682 115.700 0.125 0.000 2.541 1287 S HA 0.418 4.888 4.470 -0.000 0.000 0.271 1287 S C -0.286 174.424 174.600 0.183 0.000 1.133 1287 S CA -0.648 57.608 58.200 0.093 0.000 0.876 1287 S CB 1.173 64.375 63.200 0.004 0.000 1.105 1287 S HN 0.614 nan 8.310 nan 0.000 0.470 1288 N N 1.632 120.448 118.700 0.193 0.000 2.336 1288 N HA 0.071 4.811 4.740 -0.000 0.000 0.189 1288 N C 0.866 176.575 175.510 0.332 0.000 1.113 1288 N CA 0.092 53.350 53.050 0.346 0.000 0.858 1288 N CB -0.064 38.587 38.487 0.272 0.000 0.970 1288 N HN 0.793 nan 8.380 nan 0.000 0.471 1289 W N 0.596 121.875 121.300 -0.034 0.000 2.402 1289 W HA -0.130 4.530 4.660 -0.000 0.000 0.286 1289 W C 1.169 177.658 176.519 -0.051 0.000 1.221 1289 W CA 1.082 58.377 57.345 -0.084 0.000 1.257 1289 W CB -0.250 29.064 29.460 -0.242 0.000 1.120 1289 W HN 0.014 nan 8.180 nan 0.000 0.551 1290 Y N -0.606 119.806 120.300 0.186 0.000 2.274 1290 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 1290 Y C 2.069 177.807 175.900 -0.269 0.000 1.145 1290 Y CA 1.664 59.724 58.100 -0.067 0.000 1.203 1290 Y CB -1.370 37.016 38.460 -0.124 0.000 0.984 1290 Y HN -0.117 nan 8.280 nan 0.000 0.533 1291 F N -0.220 119.787 119.950 0.095 0.000 2.202 1291 F HA -0.232 4.295 4.527 -0.000 0.000 0.301 1291 F C 2.050 177.766 175.800 -0.141 0.000 1.082 1291 F CA 1.247 59.238 58.000 -0.014 0.000 1.313 1291 F CB -0.762 38.232 39.000 -0.011 0.000 1.024 1291 F HN 0.054 nan 8.300 nan 0.000 0.495 1292 N N -0.953 117.653 118.700 -0.158 0.000 2.515 1292 N HA -0.067 4.673 4.740 -0.000 0.000 0.191 1292 N C 0.035 175.120 175.510 -0.708 0.000 1.182 1292 N CA 0.645 53.435 53.050 -0.434 0.000 0.879 1292 N CB -0.406 37.720 38.487 -0.601 0.000 0.984 1292 N HN 0.399 nan 8.380 nan 0.000 0.453 1293 H N -1.558 117.343 119.070 -0.282 0.000 2.985 1293 H HA 0.276 4.832 4.556 -0.000 0.000 0.246 1293 H C 0.837 176.089 175.328 -0.127 0.000 1.181 1293 H CA -0.196 55.690 56.048 -0.270 0.000 0.972 1293 H CB 0.478 29.951 29.762 -0.481 0.000 2.016 1293 H HN -0.010 nan 8.280 nan 0.000 0.672 1294 L N 0.537 121.762 121.223 0.004 0.000 2.700 1294 L HA -0.037 4.303 4.340 -0.000 0.000 0.240 1294 L C 1.066 177.942 176.870 0.009 0.000 1.162 1294 L CA 1.301 56.150 54.840 0.015 0.000 0.874 1294 L CB -0.037 42.041 42.059 0.031 0.000 1.001 1294 L HN 0.254 nan 8.230 nan 0.000 0.447 1295 K N -1.064 119.340 120.400 0.007 0.000 2.374 1295 K HA 0.128 4.448 4.320 -0.000 0.000 0.202 1295 K C -0.102 176.505 176.600 0.012 0.000 1.040 1295 K CA -0.305 55.985 56.287 0.004 0.000 1.085 1295 K CB 0.501 32.998 32.500 -0.006 0.000 0.873 1295 K HN 0.175 nan 8.250 nan 0.000 0.539 1296 D N 2.208 122.624 120.400 0.025 0.000 2.449 1296 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 1296 D C 1.194 177.502 176.300 0.013 0.000 1.149 1296 D CA 0.448 54.464 54.000 0.025 0.000 0.878 1296 D CB 0.902 41.721 40.800 0.033 0.000 1.198 1296 D HN -0.027 nan 8.370 nan 0.000 0.446 1297 K N 1.988 122.395 120.400 0.012 0.000 2.025 1297 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 1297 K C 0.158 176.758 176.600 0.000 0.000 1.049 1297 K CA 0.998 57.290 56.287 0.009 0.000 0.933 1297 K CB 0.128 32.636 32.500 0.013 0.000 0.714 1297 K HN 0.471 nan 8.250 nan 0.000 0.438 1298 I N 1.650 122.219 120.570 -0.002 0.000 2.465 1298 I HA 0.265 4.434 4.170 -0.000 0.000 0.291 1298 I C -1.313 174.794 176.117 -0.017 0.000 1.014 1298 I CA -1.117 60.171 61.300 -0.019 0.000 1.093 1298 I CB 2.057 40.049 38.000 -0.013 0.000 1.267 1298 I HN 0.099 nan 8.210 nan 0.000 0.431 1299 L N 4.877 126.071 121.223 -0.047 0.000 2.455 1299 L HA 0.541 4.880 4.340 -0.000 0.000 0.264 1299 L C 0.768 177.569 176.870 -0.115 0.000 0.968 1299 L CA -0.045 54.786 54.840 -0.016 0.000 0.827 1299 L CB 2.074 44.126 42.059 -0.011 0.000 1.317 1299 L HN 0.611 nan 8.230 nan 0.000 0.407 1300 G N 1.704 110.496 108.800 -0.013 0.000 2.708 1300 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.210 1300 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.210 1300 G C 0.851 175.453 174.900 -0.496 0.000 1.141 1300 G CA 0.859 45.866 45.100 -0.156 0.000 0.788 1300 G HN 0.878 nan 8.290 nan 0.000 0.531 1301 C N -0.573 118.306 119.300 -0.702 0.000 2.780 1301 C HA 0.381 4.841 4.460 -0.000 0.000 0.287 1301 C C -0.417 174.338 174.990 -0.392 0.000 1.288 1301 C CA -1.629 56.980 59.018 -0.681 0.000 1.713 1301 C CB -0.668 26.489 27.740 -0.972 0.000 1.955 1301 C HN 0.082 nan 8.230 nan 0.000 0.613 1302 D N 0.704 120.788 120.400 -0.526 0.000 2.233 1302 D HA 0.430 5.070 4.640 -0.000 0.000 0.240 1302 D C -0.928 174.983 176.300 -0.648 0.000 1.074 1302 D CA 0.332 54.096 54.000 -0.392 0.000 0.838 1302 D CB 0.800 41.402 40.800 -0.330 0.000 1.124 1302 D HN 0.575 nan 8.370 nan 0.000 0.475 1303 W N 1.732 122.919 121.300 -0.188 0.000 2.702 1303 W HA 0.355 5.014 4.660 -0.001 0.000 0.331 1303 W C -0.499 175.973 176.519 -0.079 0.000 1.049 1303 W CA -0.952 56.272 57.345 -0.202 0.000 1.230 1303 W CB 0.796 30.111 29.460 -0.241 0.000 1.408 1303 W HN 0.204 nan 8.180 nan 0.000 0.492 1304 Y N 2.159 122.568 120.300 0.182 0.000 2.316 1304 Y HA 0.372 4.921 4.550 -0.001 0.000 0.331 1304 Y C -0.239 175.707 175.900 0.077 0.000 1.083 1304 Y CA -1.118 57.092 58.100 0.184 0.000 1.206 1304 Y CB 0.286 38.758 38.460 0.022 0.000 1.195 1304 Y HN 0.135 nan 8.280 nan 0.000 0.497 1305 F N 2.483 122.519 119.950 0.143 0.000 2.385 1305 F HA 0.458 4.985 4.527 -0.000 0.000 0.360 1305 F C -0.369 175.482 175.800 0.085 0.000 1.122 1305 F CA -0.991 57.001 58.000 -0.014 0.000 1.090 1305 F CB 0.958 39.684 39.000 -0.457 0.000 1.150 1305 F HN 0.059 nan 8.300 nan 0.000 0.472 1306 V N 6.311 126.402 119.914 0.295 0.000 2.334 1306 V HA 0.391 4.510 4.120 -0.000 0.000 0.281 1306 V C -2.309 174.124 176.094 0.565 0.000 1.016 1306 V CA -1.930 60.500 62.300 0.215 0.000 0.832 1306 V CB 1.139 32.910 31.823 -0.087 0.000 0.999 1306 V HN 0.460 nan 8.190 nan 0.000 0.439 1307 P HA 0.335 nan 4.420 nan 0.000 0.284 1307 P C -0.021 177.671 177.300 0.653 0.000 1.258 1307 P CA -0.386 63.034 63.100 0.533 0.000 0.824 1307 P CB 0.654 32.618 31.700 0.440 0.000 1.038 1308 T N -0.983 113.781 114.554 0.350 0.000 2.916 1308 T HA 0.221 4.571 4.350 -0.000 0.000 0.303 1308 T C -0.252 174.553 174.700 0.175 0.000 1.025 1308 T CA -0.152 61.981 62.100 0.056 0.000 1.142 1308 T CB 0.160 68.881 68.868 -0.246 0.000 0.947 1308 T HN 0.396 nan 8.240 nan 0.000 0.544 1309 D N 0.903 121.415 120.400 0.187 0.000 2.857 1309 D HA 0.127 4.767 4.640 -0.000 0.000 0.227 1309 D C 0.628 176.951 176.300 0.038 0.000 1.192 1309 D CA -0.548 53.477 54.000 0.042 0.000 0.857 1309 D CB 2.399 43.050 40.800 -0.249 0.000 1.645 1309 D HN 0.842 nan 8.370 nan 0.000 0.482 1310 E N 1.687 121.893 120.200 0.009 0.000 2.338 1310 E HA -0.050 4.300 4.350 -0.000 0.000 0.197 1310 E C 1.307 177.973 176.600 0.109 0.000 1.007 1310 E CA 1.036 57.476 56.400 0.067 0.000 0.849 1310 E CB -0.125 29.614 29.700 0.066 0.000 0.774 1310 E HN 0.524 nan 8.360 nan 0.000 0.506 1311 G N 0.406 109.229 108.800 0.037 0.000 2.650 1311 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 1311 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 1311 G C -0.213 174.676 174.900 -0.018 0.000 1.136 1311 G CA -0.124 44.971 45.100 -0.009 0.000 0.789 1311 G HN 0.285 nan 8.290 nan 0.000 0.536 1312 W N 1.417 122.618 121.300 -0.165 0.000 2.756 1312 W HA 0.586 5.245 4.660 -0.001 0.000 0.333 1312 W C -1.484 175.106 176.519 0.117 0.000 1.025 1312 W CA -0.726 56.581 57.345 -0.064 0.000 1.246 1312 W CB 1.434 30.869 29.460 -0.041 0.000 1.358 1312 W HN -0.189 nan 8.180 nan 0.000 0.444 1313 T N 5.378 120.001 114.554 0.115 0.000 2.876 1313 T HA 0.299 4.649 4.350 -0.000 0.000 0.289 1313 T C -0.045 174.660 174.700 0.009 0.000 1.014 1313 T CA -0.621 61.602 62.100 0.205 0.000 0.986 1313 T CB 1.484 70.390 68.868 0.063 0.000 1.021 1313 T HN 0.216 nan 8.240 nan 0.000 0.458 1314 N N 2.893 121.710 118.700 0.195 0.000 2.518 1314 N HA 0.156 4.896 4.740 -0.000 0.000 0.266 1314 N C -0.156 175.346 175.510 -0.014 0.000 1.196 1314 N CA -0.121 53.019 53.050 0.151 0.000 0.947 1314 N CB 0.709 39.368 38.487 0.286 0.000 1.098 1314 N HN 0.583 nan 8.380 nan 0.000 0.450 1315 D N 0.000 120.288 120.400 -0.187 0.000 6.856 1315 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1315 D CA 0.000 53.782 54.000 -0.363 0.000 0.868 1315 D CB 0.000 40.241 40.800 -0.931 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683