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 1dfq_1_A DATA FIRST_RESID 875 DATA SEQUENCE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL VPGINGKAIH DATA SEQUENCE LVNNESSEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS HLEQYGTNEY DATA SEQUENCE SIISSMKKHS LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI TFRDLPDKFN DATA SEQUENCE AYLANKWVFI TITNDRLSSA NLYINGVLMG SAEITGLGAI REDNNITLKL DATA SEQUENCE DRCNNNNQYV SIDKFRIFCK ALNPKEIEKL YTSYLSITFL RDFWGNPLRY DATA SEQUENCE DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI YYRRLYNGLK DATA SEQUENCE FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD GNAFNNLDRI DATA SEQUENCE LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS LGLVGTHNGQ DATA SEQUENCE IGNDPNRDIL IASNWYFNHL KDKILGCDWY FVPTDEGWTN 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 875 E HA 0.000 nan 4.350 nan 0.000 0.291 875 E C 0.000 176.592 176.600 -0.013 0.000 1.382 875 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 875 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 876 D N -0.448 119.944 120.400 -0.012 0.000 2.253 876 D HA 0.320 4.960 4.640 -0.001 0.000 0.249 876 D C 0.741 177.027 176.300 -0.024 0.000 1.049 876 D CA -0.362 53.627 54.000 -0.018 0.000 0.929 876 D CB 0.777 41.568 40.800 -0.016 0.000 1.176 876 D HN 0.519 nan 8.370 nan 0.000 0.437 877 I N 1.462 122.012 120.570 -0.034 0.000 2.127 877 I HA -0.284 3.885 4.170 -0.001 0.000 0.241 877 I C 1.158 177.251 176.117 -0.040 0.000 1.075 877 I CA 1.535 62.807 61.300 -0.047 0.000 1.334 877 I CB -0.305 37.660 38.000 -0.059 0.000 1.040 877 I HN 0.572 nan 8.210 nan 0.000 0.405 878 D N 0.219 120.599 120.400 -0.033 0.000 2.149 878 D HA -0.159 4.480 4.640 -0.001 0.000 0.198 878 D C 2.152 178.451 176.300 -0.002 0.000 0.990 878 D CA 1.054 55.041 54.000 -0.023 0.000 0.839 878 D CB -0.182 40.601 40.800 -0.028 0.000 0.948 878 D HN 0.145 nan 8.370 nan 0.000 0.460 879 V N 0.847 120.760 119.914 -0.001 0.000 2.244 879 V HA -0.226 3.894 4.120 -0.001 0.000 0.244 879 V C 2.367 178.475 176.094 0.024 0.000 1.042 879 V CA 1.271 63.578 62.300 0.012 0.000 1.006 879 V CB -0.544 31.283 31.823 0.007 0.000 0.641 879 V HN 0.229 nan 8.190 nan 0.000 0.446 880 I N -0.227 120.348 120.570 0.008 0.000 2.087 880 I HA -0.334 3.836 4.170 -0.001 0.000 0.240 880 I C 2.503 178.641 176.117 0.035 0.000 1.054 880 I CA 1.885 63.191 61.300 0.010 0.000 1.311 880 I CB -0.639 37.346 38.000 -0.024 0.000 1.024 880 I HN 0.254 nan 8.210 nan 0.000 0.402 881 L N 0.492 121.722 121.223 0.010 0.000 1.991 881 L HA -0.331 4.009 4.340 -0.001 0.000 0.221 881 L C 2.715 179.712 176.870 0.211 0.000 1.079 881 L CA 1.873 56.759 54.840 0.077 0.000 0.778 881 L CB -0.759 41.321 42.059 0.036 0.000 0.893 881 L HN 0.293 nan 8.230 nan 0.000 0.437 882 K N 0.657 121.137 120.400 0.133 0.000 1.980 882 K HA -0.267 4.053 4.320 -0.001 0.000 0.223 882 K C 2.069 178.754 176.600 0.143 0.000 1.052 882 K CA 2.086 58.447 56.287 0.124 0.000 0.974 882 K CB -0.122 32.419 32.500 0.069 0.000 0.734 882 K HN 0.104 nan 8.250 nan 0.000 0.447 883 K N 0.179 120.647 120.400 0.113 0.000 2.442 883 K HA -0.092 4.228 4.320 -0.001 0.000 0.199 883 K C 1.641 178.340 176.600 0.166 0.000 1.044 883 K CA 1.485 57.842 56.287 0.116 0.000 0.941 883 K CB 0.009 32.557 32.500 0.081 0.000 0.759 883 K HN 0.294 nan 8.250 nan 0.000 0.472 884 S N -0.944 114.884 115.700 0.212 0.000 2.557 884 S HA 0.068 4.537 4.470 -0.001 0.000 0.223 884 S C 0.362 175.152 174.600 0.317 0.000 0.969 884 S CA -0.618 57.734 58.200 0.254 0.000 0.927 884 S CB 0.320 63.656 63.200 0.227 0.000 0.806 884 S HN -0.096 nan 8.310 nan 0.000 0.489 885 T N 3.453 118.168 114.554 0.269 0.000 2.794 885 T HA 0.448 4.798 4.350 -0.001 0.000 0.296 885 T C 1.010 175.815 174.700 0.175 0.000 0.949 885 T CA -0.360 61.799 62.100 0.098 0.000 1.101 885 T CB 0.665 69.545 68.868 0.020 0.000 0.905 885 T HN 0.511 nan 8.240 nan 0.000 0.516 886 I N 0.850 121.443 120.570 0.038 0.000 4.154 886 I HA 0.584 4.753 4.170 -0.001 0.000 0.334 886 I C -0.294 175.841 176.117 0.030 0.000 1.371 886 I CA -0.281 61.030 61.300 0.018 0.000 1.110 886 I CB 0.436 38.298 38.000 -0.231 0.000 1.085 886 I HN 0.294 nan 8.210 nan 0.000 0.398 887 L N 1.423 122.655 121.223 0.015 0.000 2.705 887 L HA 0.561 4.901 4.340 -0.001 0.000 0.260 887 L C -2.056 174.820 176.870 0.009 0.000 0.921 887 L CA -0.167 54.708 54.840 0.058 0.000 0.948 887 L CB 1.946 44.057 42.059 0.086 0.000 1.427 887 L HN 0.109 nan 8.230 nan 0.000 0.432 888 N N 4.624 123.372 118.700 0.080 0.000 2.549 888 N HA 0.436 5.176 4.740 -0.001 0.000 0.290 888 N C -1.808 173.784 175.510 0.136 0.000 1.122 888 N CA -0.338 52.762 53.050 0.083 0.000 0.885 888 N CB 1.862 40.390 38.487 0.068 0.000 1.455 888 N HN 0.609 nan 8.380 nan 0.000 0.521 889 L N 2.128 123.459 121.223 0.181 0.000 2.282 889 L HA 0.324 4.663 4.340 -0.001 0.000 0.287 889 L C -0.008 176.947 176.870 0.142 0.000 1.075 889 L CA -0.512 54.433 54.840 0.175 0.000 0.839 889 L CB 0.466 42.663 42.059 0.231 0.000 1.219 889 L HN 0.390 nan 8.230 nan 0.000 0.434 890 D N 3.441 123.906 120.400 0.108 0.000 2.175 890 D HA 0.443 5.082 4.640 -0.001 0.000 0.248 890 D C -0.467 175.872 176.300 0.063 0.000 1.047 890 D CA -0.232 53.819 54.000 0.085 0.000 0.883 890 D CB 1.752 42.597 40.800 0.075 0.000 1.180 890 D HN 0.230 nan 8.370 nan 0.000 0.438 891 I N 3.612 124.208 120.570 0.043 0.000 2.337 891 I HA 0.267 4.436 4.170 -0.001 0.000 0.285 891 I C -0.370 175.753 176.117 0.010 0.000 1.041 891 I CA -0.507 60.809 61.300 0.028 0.000 1.199 891 I CB 0.606 38.617 38.000 0.019 0.000 1.370 891 I HN 0.070 nan 8.210 nan 0.000 0.470 892 N N 6.025 124.735 118.700 0.016 0.000 2.399 892 N HA 0.346 5.086 4.740 -0.001 0.000 0.284 892 N C -0.312 175.204 175.510 0.010 0.000 1.025 892 N CA -0.481 52.574 53.050 0.009 0.000 0.885 892 N CB 1.544 40.039 38.487 0.014 0.000 1.339 892 N HN 0.395 nan 8.380 nan 0.000 0.487 893 N N 1.578 120.280 118.700 0.004 0.000 2.818 893 N HA -0.155 4.584 4.740 -0.001 0.000 0.250 893 N C -1.105 174.409 175.510 0.008 0.000 1.108 893 N CA 0.683 53.736 53.050 0.006 0.000 0.745 893 N CB -0.671 37.821 38.487 0.009 0.000 1.104 893 N HN 0.679 nan 8.380 nan 0.000 0.557 894 D N -1.246 119.158 120.400 0.006 0.000 2.945 894 D HA -0.180 4.460 4.640 -0.001 0.000 0.225 894 D C -0.279 176.032 176.300 0.018 0.000 1.158 894 D CA 0.983 54.989 54.000 0.011 0.000 0.805 894 D CB -0.839 39.966 40.800 0.008 0.000 1.098 894 D HN 0.484 nan 8.370 nan 0.000 0.426 895 I N 0.794 121.377 120.570 0.021 0.000 2.533 895 I HA 0.341 4.511 4.170 -0.001 0.000 0.290 895 I C 0.717 176.856 176.117 0.037 0.000 1.056 895 I CA -0.756 60.560 61.300 0.027 0.000 1.057 895 I CB 1.680 39.694 38.000 0.023 0.000 1.240 895 I HN -0.165 nan 8.210 nan 0.000 0.423 896 I N 5.310 125.908 120.570 0.046 0.000 2.352 896 I HA 0.257 4.426 4.170 -0.001 0.000 0.290 896 I C 0.734 176.889 176.117 0.063 0.000 1.036 896 I CA 0.264 61.600 61.300 0.059 0.000 1.336 896 I CB 0.960 39.001 38.000 0.067 0.000 1.407 896 I HN 0.706 nan 8.210 nan 0.000 0.497 897 S N 3.511 119.252 115.700 0.068 0.000 2.732 897 S HA 0.457 4.927 4.470 -0.001 0.000 0.293 897 S C -1.101 173.552 174.600 0.088 0.000 1.159 897 S CA -0.939 57.304 58.200 0.072 0.000 0.847 897 S CB 2.083 65.317 63.200 0.057 0.000 1.169 897 S HN 0.559 nan 8.310 nan 0.000 0.501 898 D N 0.652 121.107 120.400 0.092 0.000 2.443 898 D HA 0.339 4.978 4.640 -0.001 0.000 0.221 898 D C 0.947 177.303 176.300 0.093 0.000 1.097 898 D CA -0.733 53.331 54.000 0.107 0.000 0.865 898 D CB 0.044 40.917 40.800 0.121 0.000 1.034 898 D HN 0.607 nan 8.370 nan 0.000 0.511 899 I N 1.105 121.728 120.570 0.087 0.000 3.735 899 I HA 0.081 4.251 4.170 -0.001 0.000 0.310 899 I C 1.521 177.680 176.117 0.069 0.000 1.270 899 I CA -0.105 61.237 61.300 0.069 0.000 1.207 899 I CB -0.134 37.902 38.000 0.061 0.000 1.013 899 I HN 0.233 nan 8.210 nan 0.000 0.452 900 S N 1.310 117.069 115.700 0.098 0.000 2.442 900 S HA 0.033 4.502 4.470 -0.001 0.000 0.236 900 S C 1.790 176.424 174.600 0.056 0.000 1.007 900 S CA 1.149 59.417 58.200 0.114 0.000 0.965 900 S CB -0.474 62.853 63.200 0.210 0.000 0.773 900 S HN 0.858 nan 8.310 nan 0.000 0.504 901 G N -0.252 108.550 108.800 0.003 0.000 2.278 901 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.210 901 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.210 901 G C 0.487 175.246 174.900 -0.234 0.000 1.000 901 G CA 0.122 45.136 45.100 -0.142 0.000 0.635 901 G HN 0.504 nan 8.290 nan 0.000 0.495 902 F N 1.453 121.420 119.950 0.027 0.000 2.456 902 F HA 0.282 4.809 4.527 -0.001 0.000 0.298 902 F C 1.508 177.323 175.800 0.025 0.000 1.104 902 F CA 1.016 59.032 58.000 0.026 0.000 1.435 902 F CB 0.092 39.109 39.000 0.027 0.000 1.078 902 F HN 0.176 nan 8.300 nan 0.000 0.546 903 N N 0.952 119.750 118.700 0.163 0.000 2.699 903 N HA -0.183 4.556 4.740 -0.001 0.000 0.257 903 N C -0.471 175.112 175.510 0.122 0.000 1.077 903 N CA 0.428 53.544 53.050 0.109 0.000 0.702 903 N CB -1.225 37.301 38.487 0.065 0.000 0.886 903 N HN 0.032 nan 8.380 nan 0.000 0.549 904 S N 0.502 116.283 115.700 0.136 0.000 2.537 904 S HA 0.315 4.784 4.470 -0.001 0.000 0.275 904 S C 0.462 175.127 174.600 0.109 0.000 1.272 904 S CA -0.615 57.656 58.200 0.119 0.000 1.050 904 S CB 0.842 64.114 63.200 0.119 0.000 0.961 904 S HN 0.332 nan 8.310 nan 0.000 0.496 905 S N 2.756 118.524 115.700 0.113 0.000 2.465 905 S HA 0.298 4.767 4.470 -0.001 0.000 0.280 905 S C -0.095 174.601 174.600 0.161 0.000 1.232 905 S CA -0.838 57.435 58.200 0.121 0.000 1.066 905 S CB 0.103 63.358 63.200 0.091 0.000 0.929 905 S HN 0.422 nan 8.310 nan 0.000 0.494 906 V N 4.524 124.509 119.914 0.118 0.000 2.532 906 V HA 0.433 4.553 4.120 -0.001 0.000 0.295 906 V C -0.059 176.101 176.094 0.110 0.000 1.041 906 V CA -0.793 61.572 62.300 0.108 0.000 0.926 906 V CB 1.186 33.062 31.823 0.088 0.000 0.992 906 V HN 0.776 nan 8.190 nan 0.000 0.457 907 I N 3.204 123.847 120.570 0.121 0.000 2.495 907 I HA 0.253 4.422 4.170 -0.001 0.000 0.277 907 I C 0.175 176.379 176.117 0.146 0.000 1.045 907 I CA -0.037 61.331 61.300 0.114 0.000 1.135 907 I CB 1.417 39.518 38.000 0.168 0.000 1.241 907 I HN 0.569 nan 8.210 nan 0.000 0.469 908 T N 5.662 120.273 114.554 0.095 0.000 2.761 908 T HA 0.391 4.740 4.350 -0.001 0.000 0.296 908 T C -0.028 174.746 174.700 0.123 0.000 0.934 908 T CA -0.024 62.158 62.100 0.137 0.000 1.091 908 T CB 0.411 69.325 68.868 0.076 0.000 0.896 908 T HN 0.099 nan 8.240 nan 0.000 0.515 909 Y N 4.025 124.324 120.300 -0.003 0.000 2.299 909 Y HA 0.215 4.765 4.550 -0.001 0.000 0.335 909 Y C -0.954 174.946 175.900 -0.000 0.000 1.287 909 Y CA -2.005 56.092 58.100 -0.004 0.000 1.424 909 Y CB 0.098 38.550 38.460 -0.014 0.000 1.326 909 Y HN 0.454 nan 8.280 nan 0.000 0.567 910 P HA -0.233 nan 4.420 nan 0.000 0.218 910 P C 0.451 177.790 177.300 0.067 0.000 1.150 910 P CA 1.944 65.081 63.100 0.062 0.000 0.841 910 P CB 0.379 32.108 31.700 0.048 0.000 0.784 911 D N -1.601 118.849 120.400 0.084 0.000 2.440 911 D HA 0.248 4.888 4.640 -0.001 0.000 0.216 911 D C 0.048 176.380 176.300 0.054 0.000 1.150 911 D CA -0.335 53.698 54.000 0.056 0.000 0.832 911 D CB -0.227 40.595 40.800 0.037 0.000 0.992 911 D HN -0.028 nan 8.370 nan 0.000 0.502 912 A N 0.859 123.721 122.820 0.070 0.000 2.444 912 A HA 0.275 4.595 4.320 -0.001 0.000 0.273 912 A C 0.570 178.202 177.584 0.080 0.000 1.136 912 A CA 0.010 52.086 52.037 0.064 0.000 0.799 912 A CB 0.204 19.249 19.000 0.075 0.000 1.081 912 A HN 0.178 nan 8.150 nan 0.000 0.509 913 Q N 0.814 120.680 119.800 0.111 0.000 2.237 913 Q HA 0.643 4.982 4.340 -0.001 0.000 0.219 913 Q C -0.790 175.283 176.000 0.121 0.000 0.999 913 Q CA -0.279 55.599 55.803 0.125 0.000 0.959 913 Q CB 1.188 30.039 28.738 0.188 0.000 1.173 913 Q HN 0.722 nan 8.270 nan 0.000 0.527 914 L N 1.933 123.202 121.223 0.076 0.000 2.376 914 L HA 0.565 4.904 4.340 -0.001 0.000 0.275 914 L C -0.706 176.185 176.870 0.034 0.000 0.987 914 L CA -0.735 54.144 54.840 0.065 0.000 0.828 914 L CB 1.519 43.602 42.059 0.040 0.000 1.249 914 L HN 0.510 nan 8.230 nan 0.000 0.409 915 V N 1.772 121.714 119.914 0.047 0.000 3.119 915 V HA 0.729 4.849 4.120 -0.001 0.000 0.311 915 V C -2.709 173.394 176.094 0.015 0.000 1.259 915 V CA -2.539 59.764 62.300 0.005 0.000 1.067 915 V CB 1.639 33.435 31.823 -0.046 0.000 1.123 915 V HN 0.466 nan 8.190 nan 0.000 0.463 916 P HA 0.436 nan 4.420 nan 0.000 0.266 916 P C -0.057 177.218 177.300 -0.042 0.000 1.195 916 P CA 0.825 63.907 63.100 -0.030 0.000 0.768 916 P CB 0.505 32.209 31.700 0.007 0.000 0.838 917 G N 0.938 109.570 108.800 -0.280 0.000 3.211 917 G HA2 0.363 4.323 3.960 -0.001 0.000 0.262 917 G HA3 0.363 4.323 3.960 -0.001 0.000 0.262 917 G C 0.261 174.637 174.900 -0.873 0.000 1.352 917 G CA -0.502 44.204 45.100 -0.657 0.000 1.004 917 G HN 0.401 nan 8.290 nan 0.000 0.559 918 I N -0.530 119.338 120.570 -1.169 0.000 2.235 918 I HA 0.157 4.326 4.170 -0.001 0.000 0.241 918 I C 0.715 176.433 176.117 -0.665 0.000 1.085 918 I CA 0.823 61.469 61.300 -1.090 0.000 1.378 918 I CB 0.074 37.057 38.000 -1.695 0.000 1.076 918 I HN 0.437 nan 8.210 nan 0.000 0.415 919 N N 0.466 118.835 118.700 -0.552 0.000 2.762 919 N HA 0.501 5.241 4.740 -0.001 0.000 0.252 919 N C -0.374 174.940 175.510 -0.327 0.000 1.269 919 N CA 0.447 53.284 53.050 -0.354 0.000 0.799 919 N CB 0.578 38.961 38.487 -0.173 0.000 1.173 919 N HN 0.532 nan 8.380 nan 0.000 0.516 920 G N 1.373 109.945 108.800 -0.381 0.000 2.255 920 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.216 920 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.216 920 G C -1.439 173.303 174.900 -0.263 0.000 1.307 920 G CA -0.900 44.024 45.100 -0.293 0.000 1.162 920 G HN 0.438 nan 8.290 nan 0.000 0.494 921 K N 0.059 120.356 120.400 -0.173 0.000 2.139 921 K HA 0.812 5.132 4.320 -0.001 0.000 0.243 921 K C 0.105 176.654 176.600 -0.085 0.000 0.983 921 K CA 0.094 56.315 56.287 -0.111 0.000 0.890 921 K CB 1.883 34.347 32.500 -0.061 0.000 1.090 921 K HN 1.130 nan 8.250 nan 0.000 0.445 922 A N 1.523 124.340 122.820 -0.005 0.000 2.527 922 A HA 0.600 4.920 4.320 -0.001 0.000 0.293 922 A C -0.953 176.743 177.584 0.186 0.000 1.117 922 A CA -0.848 51.242 52.037 0.088 0.000 0.723 922 A CB 0.689 19.764 19.000 0.125 0.000 1.313 922 A HN 0.652 nan 8.150 nan 0.000 0.411 923 I N 1.656 122.365 120.570 0.232 0.000 2.474 923 I HA 0.221 4.390 4.170 -0.001 0.000 0.287 923 I C 0.032 176.321 176.117 0.287 0.000 1.048 923 I CA 0.016 61.443 61.300 0.212 0.000 1.383 923 I CB 0.716 38.813 38.000 0.162 0.000 1.412 923 I HN 0.658 nan 8.210 nan 0.000 0.531 924 H N 7.514 126.653 119.070 0.116 0.000 2.800 924 H HA 0.453 5.009 4.556 -0.001 0.000 0.322 924 H C -1.452 173.912 175.328 0.061 0.000 0.979 924 H CA -0.693 55.410 56.048 0.092 0.000 1.277 924 H CB 1.230 31.021 29.762 0.049 0.000 1.484 924 H HN 0.463 nan 8.280 nan 0.000 0.512 925 L N 6.090 127.167 121.223 -0.243 0.000 2.295 925 L HA 0.348 4.688 4.340 -0.001 0.000 0.285 925 L C 0.464 177.195 176.870 -0.233 0.000 1.035 925 L CA -0.925 53.811 54.840 -0.173 0.000 0.806 925 L CB 1.610 43.618 42.059 -0.085 0.000 1.214 925 L HN 0.332 nan 8.230 nan 0.000 0.426 926 V N -0.174 119.656 119.914 -0.140 0.000 3.267 926 V HA 0.484 4.604 4.120 -0.001 0.000 0.317 926 V C -0.067 175.982 176.094 -0.075 0.000 1.131 926 V CA -0.968 61.280 62.300 -0.086 0.000 1.031 926 V CB 1.626 33.422 31.823 -0.045 0.000 1.159 926 V HN 0.703 nan 8.190 nan 0.000 0.454 927 N N 2.984 121.641 118.700 -0.071 0.000 2.868 927 N HA 0.345 5.084 4.740 -0.001 0.000 0.252 927 N C -0.798 174.663 175.510 -0.080 0.000 1.130 927 N CA 0.093 53.080 53.050 -0.105 0.000 1.026 927 N CB -0.962 37.432 38.487 -0.155 0.000 1.335 927 N HN 1.061 nan 8.380 nan 0.000 0.516 928 N N -0.347 118.309 118.700 -0.074 0.000 3.043 928 N HA 0.115 4.855 4.740 -0.001 0.000 0.243 928 N C 0.121 175.593 175.510 -0.063 0.000 1.347 928 N CA -0.473 52.542 53.050 -0.058 0.000 0.896 928 N CB 0.731 39.196 38.487 -0.037 0.000 1.501 928 N HN -0.155 nan 8.380 nan 0.000 0.504 929 E N 0.122 120.290 120.200 -0.054 0.000 2.204 929 E HA -0.102 4.247 4.350 -0.001 0.000 0.195 929 E C 0.878 177.442 176.600 -0.059 0.000 0.990 929 E CA 1.835 58.195 56.400 -0.066 0.000 0.821 929 E CB -0.192 29.480 29.700 -0.046 0.000 0.750 929 E HN 0.703 nan 8.360 nan 0.000 0.477 930 S N -0.343 115.353 115.700 -0.006 0.000 2.501 930 S HA 0.057 4.526 4.470 -0.001 0.000 0.220 930 S C 1.316 175.945 174.600 0.049 0.000 0.997 930 S CA -0.213 58.024 58.200 0.062 0.000 0.919 930 S CB 0.284 63.539 63.200 0.092 0.000 0.778 930 S HN -0.080 nan 8.310 nan 0.000 0.523 931 S N 2.113 117.808 115.700 -0.007 0.000 2.443 931 S HA 0.357 4.827 4.470 -0.001 0.000 0.284 931 S C -0.381 174.180 174.600 -0.064 0.000 1.206 931 S CA -0.268 57.925 58.200 -0.012 0.000 1.074 931 S CB -0.229 62.953 63.200 -0.030 0.000 0.963 931 S HN 0.568 nan 8.310 nan 0.000 0.501 932 E N 3.105 123.280 120.200 -0.042 0.000 2.419 932 E HA 0.310 4.660 4.350 -0.001 0.000 0.285 932 E C -2.075 174.499 176.600 -0.043 0.000 1.079 932 E CA -0.551 55.768 56.400 -0.135 0.000 0.864 932 E CB 1.264 30.739 29.700 -0.375 0.000 1.216 932 E HN 0.397 nan 8.360 nan 0.000 0.428 933 V N 4.556 124.433 119.914 -0.062 0.000 2.531 933 V HA 0.541 4.660 4.120 -0.001 0.000 0.301 933 V C -0.222 175.835 176.094 -0.061 0.000 1.034 933 V CA -0.638 61.666 62.300 0.006 0.000 0.865 933 V CB 1.605 33.432 31.823 0.008 0.000 0.995 933 V HN 0.512 nan 8.190 nan 0.000 0.424 934 I N 4.519 125.079 120.570 -0.017 0.000 2.474 934 I HA 0.533 4.702 4.170 -0.001 0.000 0.294 934 I C -0.701 175.365 176.117 -0.084 0.000 1.005 934 I CA -0.885 60.348 61.300 -0.112 0.000 1.113 934 I CB 2.307 40.215 38.000 -0.154 0.000 1.289 934 I HN 0.254 nan 8.210 nan 0.000 0.436 935 V N 5.326 125.172 119.914 -0.113 0.000 2.398 935 V HA 0.284 4.404 4.120 -0.001 0.000 0.286 935 V C -0.728 175.330 176.094 -0.059 0.000 1.026 935 V CA -0.652 61.634 62.300 -0.024 0.000 0.868 935 V CB 1.402 33.232 31.823 0.011 0.000 0.982 935 V HN 0.588 nan 8.190 nan 0.000 0.443 936 H N 2.937 122.013 119.070 0.010 0.000 2.556 936 H HA 0.453 5.009 4.556 -0.001 0.000 0.310 936 H C -0.008 175.315 175.328 -0.008 0.000 1.057 936 H CA -0.821 55.223 56.048 -0.007 0.000 1.264 936 H CB 0.609 30.369 29.762 -0.003 0.000 1.404 936 H HN 0.432 nan 8.280 nan 0.000 0.462 937 K N 1.817 122.262 120.400 0.074 0.000 2.561 937 K HA 0.161 4.480 4.320 -0.001 0.000 0.280 937 K C 0.427 177.034 176.600 0.012 0.000 0.975 937 K CA 0.180 56.474 56.287 0.012 0.000 1.024 937 K CB 0.307 32.770 32.500 -0.062 0.000 0.883 937 K HN 0.780 nan 8.250 nan 0.000 0.496 938 A N 3.572 126.399 122.820 0.011 0.000 2.292 938 A HA 0.088 4.407 4.320 -0.001 0.000 0.265 938 A C 1.309 178.875 177.584 -0.030 0.000 1.133 938 A CA -0.041 52.012 52.037 0.027 0.000 0.807 938 A CB 0.155 19.215 19.000 0.101 0.000 1.102 938 A HN 0.816 nan 8.150 nan 0.000 0.502 939 M N -0.512 119.083 119.600 -0.007 0.000 2.059 939 M HA -0.136 4.344 4.480 -0.001 0.000 0.259 939 M C 1.407 177.670 176.300 -0.061 0.000 1.072 939 M CA 1.828 57.105 55.300 -0.038 0.000 1.117 939 M CB -1.098 31.508 32.600 0.010 0.000 1.320 939 M HN 0.757 nan 8.290 nan 0.000 0.408 940 D N 0.731 121.139 120.400 0.014 0.000 2.203 940 D HA -0.179 4.461 4.640 -0.001 0.000 0.199 940 D C 1.588 177.819 176.300 -0.115 0.000 0.997 940 D CA 1.576 55.591 54.000 0.026 0.000 0.863 940 D CB -0.267 40.666 40.800 0.222 0.000 0.928 940 D HN 0.599 nan 8.370 nan 0.000 0.458 941 I N -2.637 117.799 120.570 -0.223 0.000 4.018 941 I HA 0.173 4.343 4.170 -0.001 0.000 0.337 941 I C 1.513 177.481 176.117 -0.248 0.000 1.327 941 I CA -0.184 60.947 61.300 -0.281 0.000 1.100 941 I CB 0.206 37.969 38.000 -0.394 0.000 1.025 941 I HN -0.294 nan 8.210 nan 0.000 0.396 942 E N 1.754 121.736 120.200 -0.363 0.000 2.132 942 E HA -0.272 4.078 4.350 -0.001 0.000 0.218 942 E C 0.289 176.564 176.600 -0.542 0.000 1.058 942 E CA 2.592 58.597 56.400 -0.659 0.000 0.882 942 E CB -0.331 28.495 29.700 -1.456 0.000 0.774 942 E HN 0.806 nan 8.360 nan 0.000 0.467 943 Y N -0.869 119.420 120.300 -0.019 0.000 2.736 943 Y HA 0.289 4.838 4.550 -0.001 0.000 0.293 943 Y C 0.864 176.764 175.900 -0.000 0.000 1.062 943 Y CA -0.809 57.283 58.100 -0.013 0.000 1.247 943 Y CB 0.348 38.818 38.460 0.016 0.000 1.200 943 Y HN -0.031 nan 8.280 nan 0.000 0.552 944 N N 0.982 119.716 118.700 0.058 0.000 2.494 944 N HA -0.113 4.626 4.740 -0.001 0.000 0.182 944 N C 0.975 176.523 175.510 0.064 0.000 1.076 944 N CA 1.156 54.243 53.050 0.062 0.000 0.908 944 N CB 0.099 38.590 38.487 0.007 0.000 0.967 944 N HN 0.621 nan 8.380 nan 0.000 0.449 945 D N -0.304 120.083 120.400 -0.021 0.000 2.363 945 D HA 0.003 4.643 4.640 -0.001 0.000 0.214 945 D C 1.614 177.936 176.300 0.037 0.000 1.093 945 D CA -0.195 53.763 54.000 -0.071 0.000 0.837 945 D CB -0.108 40.326 40.800 -0.609 0.000 0.948 945 D HN 0.083 nan 8.370 nan 0.000 0.507 946 M N -0.572 119.036 119.600 0.015 0.000 2.084 946 M HA -0.136 4.344 4.480 -0.001 0.000 0.259 946 M C 0.729 176.794 176.300 -0.393 0.000 1.072 946 M CA 2.072 57.259 55.300 -0.188 0.000 1.107 946 M CB 0.013 32.522 32.600 -0.152 0.000 1.299 946 M HN 0.034 nan 8.290 nan 0.000 0.413 947 F N -1.517 118.505 119.950 0.120 0.000 2.577 947 F HA 0.225 4.751 4.527 -0.001 0.000 0.276 947 F C 0.786 176.675 175.800 0.147 0.000 1.032 947 F CA -0.772 57.299 58.000 0.117 0.000 1.297 947 F CB -0.520 38.529 39.000 0.080 0.000 1.061 947 F HN 0.023 nan 8.300 nan 0.000 0.680 948 N N 1.460 120.361 118.700 0.335 0.000 2.340 948 N HA -0.028 4.712 4.740 -0.001 0.000 0.236 948 N C -0.390 175.305 175.510 0.307 0.000 1.296 948 N CA 0.092 53.304 53.050 0.269 0.000 0.896 948 N CB -0.079 38.543 38.487 0.224 0.000 1.127 948 N HN 0.191 nan 8.380 nan 0.000 0.442 949 N N -0.301 118.537 118.700 0.230 0.000 2.479 949 N HA 0.319 5.058 4.740 -0.001 0.000 0.257 949 N C -0.835 174.856 175.510 0.300 0.000 1.232 949 N CA 0.048 53.210 53.050 0.186 0.000 0.920 949 N CB 0.369 38.904 38.487 0.081 0.000 1.105 949 N HN 0.448 nan 8.380 nan 0.000 0.444 950 F N -1.991 117.994 119.950 0.058 0.000 2.678 950 F HA 0.498 5.024 4.527 -0.001 0.000 0.308 950 F C -1.249 174.547 175.800 -0.006 0.000 1.118 950 F CA -0.964 57.064 58.000 0.047 0.000 0.959 950 F CB 0.967 40.001 39.000 0.058 0.000 1.305 950 F HN 0.120 nan 8.300 nan 0.000 0.443 951 T N 2.043 116.631 114.554 0.057 0.000 2.885 951 T HA 0.719 5.069 4.350 -0.001 0.000 0.285 951 T C -1.012 173.707 174.700 0.032 0.000 1.019 951 T CA -0.743 61.299 62.100 -0.097 0.000 1.010 951 T CB 2.040 70.883 68.868 -0.042 0.000 1.022 951 T HN 0.603 nan 8.240 nan 0.000 0.466 952 V N 2.679 122.466 119.914 -0.211 0.000 2.513 952 V HA 0.788 4.907 4.120 -0.001 0.000 0.299 952 V C -0.212 175.742 176.094 -0.233 0.000 1.035 952 V CA -0.768 61.388 62.300 -0.240 0.000 0.889 952 V CB 1.669 33.298 31.823 -0.322 0.000 0.988 952 V HN 1.117 nan 8.190 nan 0.000 0.440 953 S N 3.769 119.355 115.700 -0.190 0.000 2.546 953 S HA 0.977 5.446 4.470 -0.001 0.000 0.274 953 S C -0.995 173.585 174.600 -0.033 0.000 1.121 953 S CA -0.789 57.256 58.200 -0.259 0.000 0.887 953 S CB 2.283 65.442 63.200 -0.068 0.000 1.094 953 S HN 1.136 nan 8.310 nan 0.000 0.474 954 F N -2.917 116.882 119.950 -0.252 0.000 2.769 954 F HA 0.726 5.253 4.527 -0.001 0.000 0.313 954 F C -2.249 173.610 175.800 0.097 0.000 1.146 954 F CA -1.760 56.279 58.000 0.065 0.000 0.934 954 F CB 0.180 39.329 39.000 0.248 0.000 1.283 954 F HN 0.639 nan 8.300 nan 0.000 0.443 955 W N 2.866 124.471 121.300 0.507 0.000 2.313 955 W HA 0.715 5.375 4.660 -0.001 0.000 0.328 955 W C -0.763 176.198 176.519 0.736 0.000 1.197 955 W CA -0.517 57.171 57.345 0.572 0.000 1.235 955 W CB 1.668 31.428 29.460 0.501 0.000 1.158 955 W HN 0.685 nan 8.180 nan 0.000 0.578 956 L N 3.224 124.935 121.223 0.812 0.000 2.388 956 L HA 0.686 5.025 4.340 -0.001 0.000 0.264 956 L C -0.972 176.003 176.870 0.176 0.000 0.998 956 L CA -1.073 54.093 54.840 0.543 0.000 0.817 956 L CB 1.894 44.247 42.059 0.490 0.000 1.338 956 L HN 0.484 nan 8.230 nan 0.000 0.414 957 R N 3.530 123.916 120.500 -0.191 0.000 2.533 957 R HA 0.812 5.151 4.340 -0.001 0.000 0.288 957 R C -2.301 173.877 176.300 -0.203 0.000 1.039 957 R CA -0.553 55.264 56.100 -0.471 0.000 0.909 957 R CB 2.007 31.477 30.300 -1.383 0.000 1.195 957 R HN 0.567 nan 8.270 nan 0.000 0.438 958 V N 6.232 126.086 119.914 -0.100 0.000 2.655 958 V HA 0.398 4.518 4.120 -0.001 0.000 0.301 958 V C -2.183 173.859 176.094 -0.086 0.000 1.082 958 V CA -1.654 60.612 62.300 -0.056 0.000 0.899 958 V CB 2.099 33.930 31.823 0.014 0.000 1.014 958 V HN 0.787 nan 8.190 nan 0.000 0.429 959 P HA 0.031 nan 4.420 nan 0.000 0.270 959 P C -0.735 176.484 177.300 -0.134 0.000 1.227 959 P CA -0.246 62.748 63.100 -0.175 0.000 0.788 959 P CB 0.880 32.381 31.700 -0.332 0.000 0.926 960 K N 1.667 121.985 120.400 -0.137 0.000 2.316 960 K HA 0.201 4.521 4.320 -0.001 0.000 0.289 960 K C -0.489 175.989 176.600 -0.204 0.000 1.070 960 K CA -0.558 55.616 56.287 -0.190 0.000 0.928 960 K CB 0.106 32.363 32.500 -0.404 0.000 1.039 960 K HN 0.131 nan 8.250 nan 0.000 0.480 961 V N 4.387 124.229 119.914 -0.121 0.000 2.617 961 V HA -0.081 4.039 4.120 -0.001 0.000 0.304 961 V C 0.686 176.716 176.094 -0.105 0.000 1.040 961 V CA 0.061 62.323 62.300 -0.063 0.000 1.149 961 V CB 0.617 32.453 31.823 0.022 0.000 0.914 961 V HN 0.980 nan 8.190 nan 0.000 0.487 962 S N 4.315 119.931 115.700 -0.139 0.000 2.632 962 S HA 0.560 5.029 4.470 -0.001 0.000 0.267 962 S C 1.260 175.836 174.600 -0.039 0.000 1.276 962 S CA -0.136 57.960 58.200 -0.173 0.000 0.998 962 S CB 1.590 64.600 63.200 -0.318 0.000 0.953 962 S HN 1.022 nan 8.310 nan 0.000 0.547 963 A N 1.745 124.557 122.820 -0.012 0.000 1.883 963 A HA -0.028 4.291 4.320 -0.001 0.000 0.217 963 A C 2.422 180.056 177.584 0.082 0.000 1.186 963 A CA 2.005 54.086 52.037 0.073 0.000 0.624 963 A CB -1.694 17.379 19.000 0.122 0.000 0.822 963 A HN 0.833 nan 8.150 nan 0.000 0.444 964 S N -1.143 114.590 115.700 0.055 0.000 2.374 964 S HA -0.223 4.247 4.470 -0.001 0.000 0.227 964 S C 1.735 176.483 174.600 0.247 0.000 1.037 964 S CA 1.641 59.906 58.200 0.109 0.000 1.024 964 S CB -0.581 62.669 63.200 0.083 0.000 0.861 964 S HN 0.792 nan 8.310 nan 0.000 0.456 965 H N -0.247 118.884 119.070 0.101 0.000 2.529 965 H HA 0.150 4.705 4.556 -0.001 0.000 0.277 965 H C 1.991 177.433 175.328 0.190 0.000 0.999 965 H CA 0.338 56.513 56.048 0.211 0.000 1.256 965 H CB 0.070 29.919 29.762 0.146 0.000 1.402 965 H HN 0.261 nan 8.280 nan 0.000 0.566 966 L N 0.556 121.915 121.223 0.226 0.000 2.023 966 L HA -0.149 4.191 4.340 -0.001 0.000 0.205 966 L C 2.214 179.148 176.870 0.107 0.000 1.073 966 L CA 1.277 56.206 54.840 0.148 0.000 0.745 966 L CB -0.201 41.924 42.059 0.111 0.000 0.900 966 L HN 0.324 nan 8.230 nan 0.000 0.435 967 E N -0.392 119.859 120.200 0.085 0.000 2.033 967 E HA -0.341 4.008 4.350 -0.001 0.000 0.199 967 E C 2.101 178.692 176.600 -0.016 0.000 1.011 967 E CA 1.784 58.206 56.400 0.037 0.000 0.815 967 E CB -0.106 29.615 29.700 0.036 0.000 0.755 967 E HN 0.407 nan 8.360 nan 0.000 0.451 968 Q N -0.717 119.050 119.800 -0.055 0.000 2.245 968 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 968 Q C 0.467 176.181 176.000 -0.478 0.000 0.955 968 Q CA 1.007 56.632 55.803 -0.297 0.000 0.870 968 Q CB 0.351 28.857 28.738 -0.386 0.000 0.945 968 Q HN 0.373 nan 8.270 nan 0.000 0.461 969 Y N -2.059 118.237 120.300 -0.008 0.000 2.675 969 Y HA 0.335 4.885 4.550 -0.000 0.000 0.248 969 Y C 1.574 177.490 175.900 0.026 0.000 1.161 969 Y CA -0.037 58.053 58.100 -0.016 0.000 1.203 969 Y CB 0.640 39.061 38.460 -0.064 0.000 1.262 969 Y HN 0.126 nan 8.280 nan 0.000 0.544 970 G N 0.178 109.057 108.800 0.132 0.000 2.462 970 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.220 970 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.220 970 G C 1.534 176.485 174.900 0.086 0.000 1.121 970 G CA 1.890 47.054 45.100 0.107 0.000 0.758 970 G HN 0.414 nan 8.290 nan 0.000 0.559 971 T N -2.836 111.762 114.554 0.073 0.000 3.129 971 T HA 0.212 4.561 4.350 -0.001 0.000 0.267 971 T C 0.442 175.184 174.700 0.070 0.000 1.018 971 T CA -0.390 61.742 62.100 0.053 0.000 0.903 971 T CB 0.062 68.946 68.868 0.027 0.000 1.067 971 T HN 0.099 nan 8.240 nan 0.000 0.549 972 N N 2.617 121.389 118.700 0.119 0.000 2.558 972 N HA 0.139 4.878 4.740 -0.001 0.000 0.233 972 N C -0.614 175.010 175.510 0.191 0.000 1.038 972 N CA -0.363 52.778 53.050 0.153 0.000 0.934 972 N CB 0.720 39.334 38.487 0.210 0.000 1.175 972 N HN 0.473 nan 8.380 nan 0.000 0.512 973 E N 3.781 124.049 120.200 0.114 0.000 2.129 973 E HA 0.063 4.413 4.350 -0.001 0.000 0.283 973 E C -1.033 175.626 176.600 0.099 0.000 1.080 973 E CA -0.485 55.944 56.400 0.050 0.000 0.867 973 E CB 0.219 29.921 29.700 0.004 0.000 1.056 973 E HN 0.601 nan 8.360 nan 0.000 0.404 974 Y N 1.477 121.772 120.300 -0.009 0.000 2.468 974 Y HA 0.565 5.115 4.550 -0.001 0.000 0.342 974 Y C -0.235 175.654 175.900 -0.020 0.000 1.021 974 Y CA -1.326 56.757 58.100 -0.028 0.000 1.079 974 Y CB 0.841 39.275 38.460 -0.043 0.000 1.226 974 Y HN 0.256 nan 8.280 nan 0.000 0.460 975 S N 2.051 117.783 115.700 0.053 0.000 2.707 975 S HA 0.574 5.043 4.470 -0.001 0.000 0.276 975 S C 0.473 175.104 174.600 0.052 0.000 1.179 975 S CA -0.231 57.959 58.200 -0.016 0.000 0.992 975 S CB 1.259 64.441 63.200 -0.030 0.000 1.030 975 S HN 0.911 nan 8.310 nan 0.000 0.554 976 I N -3.211 117.369 120.570 0.016 0.000 4.774 976 I HA 0.513 4.683 4.170 -0.001 0.000 0.330 976 I C -0.493 175.595 176.117 -0.049 0.000 1.287 976 I CA -0.193 61.120 61.300 0.020 0.000 1.311 976 I CB 0.188 38.219 38.000 0.051 0.000 1.315 976 I HN 0.361 nan 8.210 nan 0.000 0.459 977 I N 0.981 121.531 120.570 -0.034 0.000 2.571 977 I HA 0.519 4.688 4.170 -0.001 0.000 0.289 977 I C -0.834 175.266 176.117 -0.029 0.000 1.115 977 I CA -0.479 60.785 61.300 -0.061 0.000 1.045 977 I CB 2.234 40.221 38.000 -0.021 0.000 1.238 977 I HN 0.057 nan 8.210 nan 0.000 0.424 978 S N 2.239 117.784 115.700 -0.259 0.000 2.541 978 S HA 0.475 4.944 4.470 -0.001 0.000 0.271 978 S C 0.163 174.304 174.600 -0.766 0.000 1.133 978 S CA -0.196 57.712 58.200 -0.487 0.000 0.876 978 S CB 1.810 64.822 63.200 -0.313 0.000 1.105 978 S HN 0.710 nan 8.310 nan 0.000 0.470 979 S N 2.673 117.729 115.700 -1.073 0.000 2.559 979 S HA 0.376 4.845 4.470 -0.001 0.000 0.226 979 S C 0.090 174.368 174.600 -0.537 0.000 1.000 979 S CA -0.372 57.278 58.200 -0.917 0.000 0.948 979 S CB -0.338 62.020 63.200 -1.402 0.000 0.870 979 S HN 0.622 nan 8.310 nan 0.000 0.497 980 M N 3.635 122.967 119.600 -0.447 0.000 2.094 980 M HA 0.306 4.786 4.480 -0.001 0.000 0.348 980 M C -0.061 176.113 176.300 -0.209 0.000 1.267 980 M CA -0.286 54.844 55.300 -0.283 0.000 1.125 980 M CB 1.015 33.475 32.600 -0.234 0.000 1.527 980 M HN 0.181 nan 8.290 nan 0.000 0.447 981 K N 3.719 124.020 120.400 -0.165 0.000 2.451 981 K HA 0.107 4.427 4.320 -0.001 0.000 0.280 981 K C -0.256 176.292 176.600 -0.086 0.000 1.020 981 K CA 0.081 56.298 56.287 -0.117 0.000 1.008 981 K CB 0.928 33.376 32.500 -0.085 0.000 0.917 981 K HN 0.462 nan 8.250 nan 0.000 0.478 982 K N 2.289 122.644 120.400 -0.074 0.000 2.879 982 K HA 0.120 4.440 4.320 -0.001 0.000 0.287 982 K C -0.072 176.565 176.600 0.062 0.000 0.988 982 K CA -0.227 56.031 56.287 -0.049 0.000 1.528 982 K CB -0.295 32.133 32.500 -0.121 0.000 2.046 982 K HN 0.734 nan 8.250 nan 0.000 0.785 983 H N 0.549 119.588 119.070 -0.052 0.000 3.217 983 H HA -0.051 4.505 4.556 -0.001 0.000 0.272 983 H C 0.688 175.993 175.328 -0.038 0.000 0.929 983 H CA 0.539 56.563 56.048 -0.041 0.000 1.425 983 H CB 0.383 30.124 29.762 -0.035 0.000 1.505 983 H HN 0.457 nan 8.280 nan 0.000 0.542 984 S N 3.480 119.212 115.700 0.052 0.000 1.853 984 S HA -0.079 4.390 4.470 -0.001 0.000 0.218 984 S C -0.268 174.323 174.600 -0.016 0.000 0.823 984 S CA 0.161 58.365 58.200 0.007 0.000 1.614 984 S CB -0.114 63.090 63.200 0.006 0.000 1.088 984 S HN 0.567 nan 8.310 nan 0.000 0.475 985 L N 1.429 122.643 121.223 -0.014 0.000 2.176 985 L HA 0.083 4.423 4.340 -0.001 0.000 0.714 985 L C -0.718 176.143 176.870 -0.015 0.000 1.188 985 L CA 1.042 55.867 54.840 -0.024 0.000 1.421 985 L CB -1.479 40.559 42.059 -0.035 0.000 2.208 985 L HN 0.203 nan 8.230 nan 0.000 0.977 986 S N 3.903 119.597 115.700 -0.010 0.000 2.952 986 S HA 0.374 4.843 4.470 -0.001 0.000 0.238 986 S C 1.036 175.622 174.600 -0.022 0.000 0.780 986 S CA 0.101 58.291 58.200 -0.018 0.000 1.150 986 S CB 0.052 63.239 63.200 -0.022 0.000 1.320 986 S HN 0.740 nan 8.310 nan 0.000 0.540 987 I N 0.785 121.348 120.570 -0.011 0.000 3.969 987 I HA -0.357 3.813 4.170 -0.001 0.000 0.133 987 I C 1.254 177.360 176.117 -0.019 0.000 0.412 987 I CA 2.335 63.628 61.300 -0.011 0.000 1.227 987 I CB -1.575 36.412 38.000 -0.021 0.000 1.082 987 I HN 0.811 nan 8.210 nan 0.000 0.204 988 G N 0.329 109.105 108.800 -0.041 0.000 2.163 988 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.213 988 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.213 988 G C 0.375 175.220 174.900 -0.092 0.000 0.991 988 G CA 0.994 46.051 45.100 -0.071 0.000 0.653 988 G HN 1.038 nan 8.290 nan 0.000 0.518 989 S N 0.379 116.033 115.700 -0.078 0.000 2.546 989 S HA 0.584 5.054 4.470 -0.001 0.000 0.290 989 S C 1.008 175.535 174.600 -0.121 0.000 1.290 989 S CA 1.800 59.950 58.200 -0.083 0.000 1.069 989 S CB 0.531 63.691 63.200 -0.066 0.000 0.846 989 S HN 2.269 nan 8.310 nan 0.000 0.495 990 G N 4.389 113.117 108.800 -0.120 0.000 2.320 990 G HA2 0.109 4.068 3.960 -0.001 0.000 0.274 990 G HA3 0.109 4.068 3.960 -0.001 0.000 0.274 990 G C -1.021 173.794 174.900 -0.141 0.000 1.324 990 G CA -0.348 44.651 45.100 -0.168 0.000 0.957 990 G HN 1.016 nan 8.290 nan 0.000 0.481 991 W N 0.176 121.368 121.300 -0.180 0.000 2.647 991 W HA 0.827 5.487 4.660 -0.001 0.000 0.353 991 W C -0.046 176.257 176.519 -0.360 0.000 1.080 991 W CA -0.538 56.577 57.345 -0.383 0.000 1.208 991 W CB 1.582 30.849 29.460 -0.322 0.000 1.396 991 W HN 1.454 nan 8.180 nan 0.000 0.573 992 S N 0.508 116.133 115.700 -0.125 0.000 2.541 992 S HA 0.642 5.112 4.470 -0.001 0.000 0.271 992 S C -1.813 172.907 174.600 0.200 0.000 1.133 992 S CA -0.712 57.513 58.200 0.041 0.000 0.876 992 S CB 1.842 64.987 63.200 -0.093 0.000 1.105 992 S HN 0.457 nan 8.310 nan 0.000 0.470 993 V N 3.128 123.249 119.914 0.345 0.000 2.384 993 V HA 0.850 4.969 4.120 -0.001 0.000 0.287 993 V C 0.034 176.223 176.094 0.159 0.000 1.020 993 V CA -0.136 62.400 62.300 0.392 0.000 0.850 993 V CB 0.954 33.044 31.823 0.445 0.000 0.987 993 V HN 1.188 nan 8.190 nan 0.000 0.436 994 S N 5.182 120.940 115.700 0.097 0.000 2.651 994 S HA 0.881 5.351 4.470 -0.001 0.000 0.279 994 S C -1.306 173.196 174.600 -0.163 0.000 1.148 994 S CA -0.895 57.262 58.200 -0.072 0.000 0.837 994 S CB 1.994 65.152 63.200 -0.070 0.000 1.138 994 S HN 0.419 nan 8.310 nan 0.000 0.478 995 L N 0.729 121.681 121.223 -0.452 0.000 2.381 995 L HA 0.674 5.013 4.340 -0.001 0.000 0.268 995 L C -0.540 176.092 176.870 -0.396 0.000 0.997 995 L CA -0.457 54.124 54.840 -0.431 0.000 0.818 995 L CB 2.203 43.886 42.059 -0.627 0.000 1.310 995 L HN 0.757 nan 8.230 nan 0.000 0.416 996 K N 2.088 122.407 120.400 -0.135 0.000 2.690 996 K HA 0.462 4.782 4.320 -0.001 0.000 0.243 996 K C 0.235 176.851 176.600 0.027 0.000 0.982 996 K CA 0.265 56.535 56.287 -0.028 0.000 0.955 996 K CB 1.537 34.025 32.500 -0.021 0.000 1.185 996 K HN 0.792 nan 8.250 nan 0.000 0.467 997 G N 3.720 112.570 108.800 0.083 0.000 2.622 997 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.307 997 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.307 997 G C 0.060 174.996 174.900 0.061 0.000 1.226 997 G CA 0.456 45.607 45.100 0.086 0.000 0.997 997 G HN 0.742 nan 8.290 nan 0.000 0.551 998 N N 2.209 120.935 118.700 0.043 0.000 2.575 998 N HA 0.281 5.021 4.740 -0.001 0.000 0.275 998 N C -0.536 174.980 175.510 0.009 0.000 1.202 998 N CA -0.262 52.812 53.050 0.038 0.000 0.945 998 N CB 0.141 38.653 38.487 0.041 0.000 1.247 998 N HN 0.327 nan 8.380 nan 0.000 0.510 999 N N 1.079 119.783 118.700 0.007 0.000 2.361 999 N HA 0.331 5.070 4.740 -0.001 0.000 0.302 999 N C -1.263 174.288 175.510 0.067 0.000 1.074 999 N CA -0.541 52.506 53.050 -0.005 0.000 0.850 999 N CB 2.359 40.835 38.487 -0.019 0.000 1.228 999 N HN 0.095 nan 8.380 nan 0.000 0.491 1000 L N 2.620 123.947 121.223 0.172 0.000 2.313 1000 L HA 0.640 4.979 4.340 -0.001 0.000 0.283 1000 L C -1.146 175.839 176.870 0.192 0.000 1.013 1000 L CA -0.349 54.612 54.840 0.201 0.000 0.816 1000 L CB 0.797 43.026 42.059 0.283 0.000 1.236 1000 L HN 0.463 nan 8.230 nan 0.000 0.419 1001 I N 4.789 125.453 120.570 0.158 0.000 2.545 1001 I HA 0.334 4.504 4.170 -0.001 0.000 0.292 1001 I C -1.288 174.997 176.117 0.280 0.000 1.040 1001 I CA -0.475 60.930 61.300 0.175 0.000 1.068 1001 I CB 1.922 39.974 38.000 0.087 0.000 1.251 1001 I HN 0.678 nan 8.210 nan 0.000 0.424 1002 W N 6.280 127.628 121.300 0.079 0.000 2.520 1002 W HA 0.601 5.261 4.660 -0.001 0.000 0.323 1002 W C -1.124 175.458 176.519 0.104 0.000 1.062 1002 W CA -0.554 56.855 57.345 0.107 0.000 1.215 1002 W CB 1.937 31.439 29.460 0.070 0.000 1.340 1002 W HN 0.506 nan 8.180 nan 0.000 0.516 1003 T N 6.331 120.625 114.554 -0.432 0.000 2.916 1003 T HA 0.568 4.918 4.350 -0.001 0.000 0.298 1003 T C -1.549 172.853 174.700 -0.497 0.000 1.031 1003 T CA -0.591 61.303 62.100 -0.344 0.000 0.993 1003 T CB 1.251 70.035 68.868 -0.139 0.000 1.045 1003 T HN 0.451 nan 8.240 nan 0.000 0.454 1004 L N 3.670 124.722 121.223 -0.285 0.000 2.346 1004 L HA 0.717 5.056 4.340 -0.001 0.000 0.274 1004 L C -0.294 176.536 176.870 -0.066 0.000 1.007 1004 L CA -0.957 53.795 54.840 -0.146 0.000 0.818 1004 L CB 2.037 44.093 42.059 -0.006 0.000 1.284 1004 L HN 0.665 nan 8.230 nan 0.000 0.424 1005 K N 2.243 122.618 120.400 -0.040 0.000 2.588 1005 K HA 0.244 4.564 4.320 -0.001 0.000 0.250 1005 K C -1.643 174.940 176.600 -0.029 0.000 0.972 1005 K CA -0.645 55.619 56.287 -0.038 0.000 0.821 1005 K CB 1.927 34.392 32.500 -0.059 0.000 1.249 1005 K HN 0.656 nan 8.250 nan 0.000 0.442 1006 D N 1.279 121.667 120.400 -0.020 0.000 2.432 1006 D HA 0.028 4.668 4.640 -0.001 0.000 0.258 1006 D C 0.934 177.213 176.300 -0.036 0.000 1.146 1006 D CA -0.443 53.538 54.000 -0.032 0.000 1.015 1006 D CB 1.244 42.031 40.800 -0.022 0.000 1.107 1006 D HN 0.351 nan 8.370 nan 0.000 0.529 1007 S N -1.203 114.470 115.700 -0.045 0.000 2.547 1007 S HA -0.004 4.466 4.470 -0.001 0.000 0.235 1007 S C 1.562 176.150 174.600 -0.020 0.000 0.980 1007 S CA 0.483 58.661 58.200 -0.037 0.000 0.941 1007 S CB -0.656 62.518 63.200 -0.044 0.000 0.763 1007 S HN 0.622 nan 8.310 nan 0.000 0.532 1008 A N 0.373 123.186 122.820 -0.011 0.000 2.195 1008 A HA 0.601 4.920 4.320 -0.001 0.000 0.210 1008 A C 1.711 179.292 177.584 -0.004 0.000 1.165 1008 A CA 0.462 52.497 52.037 -0.002 0.000 0.806 1008 A CB -0.816 18.189 19.000 0.008 0.000 0.847 1008 A HN 1.518 nan 8.150 nan 0.000 0.482 1009 G N -0.355 108.439 108.800 -0.010 0.000 2.141 1009 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.242 1009 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.242 1009 G C 0.039 174.935 174.900 -0.007 0.000 0.982 1009 G CA 0.426 45.519 45.100 -0.011 0.000 0.662 1009 G HN 0.667 nan 8.290 nan 0.000 0.527 1010 E N -0.091 120.108 120.200 -0.002 0.000 2.422 1010 E HA 0.523 4.872 4.350 -0.001 0.000 0.260 1010 E C 0.205 176.805 176.600 0.000 0.000 1.108 1010 E CA 0.109 56.512 56.400 0.005 0.000 0.943 1010 E CB 1.029 30.737 29.700 0.014 0.000 0.961 1010 E HN 0.649 nan 8.360 nan 0.000 0.443 1011 V N 4.623 124.538 119.914 0.003 0.000 2.777 1011 V HA 0.499 4.619 4.120 -0.001 0.000 0.306 1011 V C -0.697 175.401 176.094 0.007 0.000 1.112 1011 V CA -1.030 61.268 62.300 -0.004 0.000 0.917 1011 V CB 1.880 33.694 31.823 -0.014 0.000 1.018 1011 V HN 0.543 nan 8.190 nan 0.000 0.426 1012 R N 3.086 123.593 120.500 0.011 0.000 2.562 1012 R HA 0.714 5.054 4.340 -0.001 0.000 0.298 1012 R C -0.964 175.355 176.300 0.031 0.000 0.961 1012 R CA -0.595 55.524 56.100 0.032 0.000 0.881 1012 R CB 2.276 32.610 30.300 0.056 0.000 1.159 1012 R HN 0.784 nan 8.270 nan 0.000 0.450 1013 Q N 2.313 122.144 119.800 0.051 0.000 2.305 1013 Q HA 0.499 4.839 4.340 -0.001 0.000 0.271 1013 Q C -0.600 175.467 176.000 0.111 0.000 1.046 1013 Q CA -0.618 55.228 55.803 0.073 0.000 0.798 1013 Q CB 2.965 31.728 28.738 0.041 0.000 1.286 1013 Q HN 0.487 nan 8.270 nan 0.000 0.435 1014 I N 2.015 122.694 120.570 0.181 0.000 2.315 1014 I HA 0.269 4.438 4.170 -0.001 0.000 0.291 1014 I C -0.176 176.024 176.117 0.139 0.000 1.006 1014 I CA -0.275 61.112 61.300 0.144 0.000 1.265 1014 I CB 1.487 39.578 38.000 0.151 0.000 1.387 1014 I HN 0.420 nan 8.210 nan 0.000 0.475 1015 T N 6.858 121.470 114.554 0.096 0.000 2.743 1015 T HA 0.296 4.645 4.350 -0.001 0.000 0.292 1015 T C -0.511 174.237 174.700 0.079 0.000 0.972 1015 T CA -0.278 61.869 62.100 0.079 0.000 0.967 1015 T CB 0.427 69.313 68.868 0.030 0.000 0.926 1015 T HN 0.279 nan 8.240 nan 0.000 0.459 1016 F N 4.293 124.245 119.950 0.004 0.000 2.405 1016 F HA 0.522 5.049 4.527 -0.001 0.000 0.355 1016 F C 0.189 175.990 175.800 0.002 0.000 1.121 1016 F CA -1.262 56.726 58.000 -0.020 0.000 1.112 1016 F CB 0.601 39.569 39.000 -0.054 0.000 1.126 1016 F HN 0.360 nan 8.300 nan 0.000 0.481 1017 R N 4.820 124.619 120.500 -1.169 0.000 2.198 1017 R HA 0.168 4.507 4.340 -0.001 0.000 0.339 1017 R C -0.548 175.148 176.300 -1.008 0.000 1.020 1017 R CA -0.833 54.805 56.100 -0.769 0.000 0.864 1017 R CB 0.529 30.613 30.300 -0.359 0.000 1.105 1017 R HN 0.637 nan 8.270 nan 0.000 0.463 1018 D N 2.130 122.199 120.400 -0.551 0.000 2.364 1018 D HA 0.005 4.644 4.640 -0.001 0.000 0.236 1018 D C 0.198 176.496 176.300 -0.003 0.000 1.221 1018 D CA 0.018 53.958 54.000 -0.099 0.000 0.891 1018 D CB 0.798 41.714 40.800 0.193 0.000 1.190 1018 D HN 0.257 nan 8.370 nan 0.000 0.449 1019 L N 2.511 123.843 121.223 0.181 0.000 2.467 1019 L HA 0.123 4.462 4.340 -0.001 0.000 0.270 1019 L C -1.214 175.709 176.870 0.088 0.000 1.205 1019 L CA -1.234 53.691 54.840 0.142 0.000 0.828 1019 L CB 0.172 42.333 42.059 0.170 0.000 1.101 1019 L HN 0.449 nan 8.230 nan 0.000 0.479 1020 P HA -0.045 nan 4.420 nan 0.000 0.221 1020 P C -0.092 177.130 177.300 -0.130 0.000 1.155 1020 P CA 0.514 63.668 63.100 0.089 0.000 0.812 1020 P CB 0.089 31.945 31.700 0.260 0.000 0.801 1021 D N 0.621 120.823 120.400 -0.331 0.000 2.352 1021 D HA 0.008 4.648 4.640 -0.001 0.000 0.245 1021 D C 0.991 177.249 176.300 -0.070 0.000 1.224 1021 D CA -0.013 53.625 54.000 -0.602 0.000 0.879 1021 D CB 0.528 41.031 40.800 -0.495 0.000 1.057 1021 D HN -0.209 nan 8.370 nan 0.000 0.491 1022 K N 3.406 123.873 120.400 0.112 0.000 2.288 1022 K HA -0.107 4.213 4.320 -0.001 0.000 0.201 1022 K C 1.612 178.486 176.600 0.457 0.000 1.048 1022 K CA 0.305 56.728 56.287 0.227 0.000 0.956 1022 K CB -0.355 32.170 32.500 0.043 0.000 0.746 1022 K HN 0.494 nan 8.250 nan 0.000 0.461 1023 F N 2.497 122.672 119.950 0.375 0.000 2.269 1023 F HA -0.100 4.427 4.527 -0.001 0.000 0.301 1023 F C 1.129 177.022 175.800 0.154 0.000 1.082 1023 F CA 1.187 59.365 58.000 0.297 0.000 1.360 1023 F CB 0.173 39.285 39.000 0.187 0.000 1.041 1023 F HN 0.029 nan 8.300 nan 0.000 0.512 1024 N N 0.224 119.030 118.700 0.176 0.000 2.187 1024 N HA 0.245 4.985 4.740 -0.001 0.000 0.212 1024 N C 0.142 175.534 175.510 -0.197 0.000 1.152 1024 N CA 0.466 53.508 53.050 -0.013 0.000 0.872 1024 N CB 0.344 38.888 38.487 0.095 0.000 1.025 1024 N HN 0.164 nan 8.380 nan 0.000 0.514 1025 A N -0.150 122.583 122.820 -0.146 0.000 2.287 1025 A HA 0.319 4.639 4.320 -0.001 0.000 0.273 1025 A C 0.327 177.690 177.584 -0.368 0.000 1.091 1025 A CA -0.171 51.744 52.037 -0.204 0.000 0.817 1025 A CB 0.233 19.257 19.000 0.041 0.000 1.069 1025 A HN 0.201 nan 8.150 nan 0.000 0.492 1026 Y N -0.441 119.947 120.300 0.147 0.000 2.523 1026 Y HA 0.213 4.762 4.550 -0.001 0.000 0.279 1026 Y C 0.532 176.509 175.900 0.127 0.000 1.139 1026 Y CA 0.563 58.733 58.100 0.116 0.000 1.296 1026 Y CB 0.019 38.516 38.460 0.061 0.000 1.045 1026 Y HN 0.360 nan 8.280 nan 0.000 0.538 1027 L N -0.247 121.116 121.223 0.233 0.000 2.913 1027 L HA 0.598 4.938 4.340 -0.001 0.000 0.283 1027 L C 0.109 177.043 176.870 0.106 0.000 1.336 1027 L CA -0.274 54.665 54.840 0.165 0.000 0.815 1027 L CB 0.553 42.715 42.059 0.171 0.000 1.188 1027 L HN -0.050 nan 8.230 nan 0.000 0.551 1028 A N 0.356 123.251 122.820 0.126 0.000 3.355 1028 A HA 0.384 4.704 4.320 -0.001 0.000 0.290 1028 A C 0.787 178.544 177.584 0.288 0.000 0.973 1028 A CA -0.275 51.856 52.037 0.157 0.000 0.933 1028 A CB -0.002 19.116 19.000 0.197 0.000 1.138 1028 A HN 0.501 nan 8.150 nan 0.000 0.490 1029 N N -0.522 118.254 118.700 0.126 0.000 2.965 1029 N HA -0.135 4.604 4.740 -0.001 0.000 0.232 1029 N C -0.124 175.476 175.510 0.150 0.000 0.913 1029 N CA 1.476 54.547 53.050 0.034 0.000 0.981 1029 N CB -0.560 37.819 38.487 -0.180 0.000 1.077 1029 N HN 0.754 nan 8.380 nan 0.000 0.589 1030 K N -0.407 120.121 120.400 0.214 0.000 2.123 1030 K HA 0.256 4.575 4.320 -0.001 0.000 0.248 1030 K C -0.380 176.374 176.600 0.257 0.000 0.969 1030 K CA -0.541 55.915 56.287 0.283 0.000 0.882 1030 K CB 0.758 33.387 32.500 0.215 0.000 1.080 1030 K HN 0.027 nan 8.250 nan 0.000 0.441 1031 W N 2.670 124.177 121.300 0.347 0.000 2.381 1031 W HA 0.141 4.800 4.660 -0.000 0.000 0.321 1031 W C 0.107 177.034 176.519 0.679 0.000 1.407 1031 W CA -0.272 57.329 57.345 0.427 0.000 1.274 1031 W CB 0.495 30.081 29.460 0.211 0.000 1.310 1031 W HN 0.198 nan 8.180 nan 0.000 0.551 1032 V N 2.796 123.219 119.914 0.848 0.000 2.823 1032 V HA 0.581 4.700 4.120 -0.001 0.000 0.312 1032 V C -1.203 175.130 176.094 0.398 0.000 1.072 1032 V CA -1.494 61.184 62.300 0.629 0.000 0.937 1032 V CB 1.826 33.874 31.823 0.376 0.000 1.013 1032 V HN 0.282 nan 8.190 nan 0.000 0.430 1033 F N 5.149 124.917 119.950 -0.304 0.000 2.405 1033 F HA 0.760 5.286 4.527 -0.001 0.000 0.355 1033 F C -0.445 174.967 175.800 -0.646 0.000 1.121 1033 F CA -1.298 56.181 58.000 -0.868 0.000 1.112 1033 F CB 0.978 39.074 39.000 -1.507 0.000 1.126 1033 F HN 0.411 nan 8.300 nan 0.000 0.481 1034 I N 4.819 124.576 120.570 -1.355 0.000 2.412 1034 I HA 0.363 4.532 4.170 -0.001 0.000 0.296 1034 I C 0.024 175.304 176.117 -1.395 0.000 0.987 1034 I CA -0.457 60.097 61.300 -1.243 0.000 1.180 1034 I CB 1.371 38.543 38.000 -1.379 0.000 1.340 1034 I HN 0.597 nan 8.210 nan 0.000 0.455 1035 T N 6.817 120.816 114.554 -0.927 0.000 3.071 1035 T HA 0.704 5.054 4.350 -0.001 0.000 0.311 1035 T C -1.122 173.286 174.700 -0.485 0.000 1.042 1035 T CA -0.350 61.326 62.100 -0.705 0.000 1.028 1035 T CB 0.783 69.247 68.868 -0.673 0.000 1.068 1035 T HN 0.303 nan 8.240 nan 0.000 0.451 1036 I N 5.006 125.244 120.570 -0.555 0.000 2.410 1036 I HA 0.406 4.576 4.170 -0.001 0.000 0.286 1036 I C 0.554 176.320 176.117 -0.584 0.000 1.009 1036 I CA -0.620 60.283 61.300 -0.662 0.000 1.111 1036 I CB 2.177 39.465 38.000 -1.186 0.000 1.262 1036 I HN 0.786 nan 8.210 nan 0.000 0.443 1037 T N 2.009 116.325 114.554 -0.397 0.000 2.895 1037 T HA 0.487 4.837 4.350 -0.001 0.000 0.283 1037 T C -0.341 174.140 174.700 -0.366 0.000 1.014 1037 T CA -0.915 60.973 62.100 -0.353 0.000 1.037 1037 T CB 1.421 70.158 68.868 -0.218 0.000 1.006 1037 T HN 0.401 nan 8.240 nan 0.000 0.468 1038 N N 2.564 121.008 118.700 -0.427 0.000 2.524 1038 N HA 0.209 4.948 4.740 -0.001 0.000 0.261 1038 N C -1.661 173.740 175.510 -0.181 0.000 0.998 1038 N CA -0.465 52.367 53.050 -0.363 0.000 0.915 1038 N CB 1.834 39.877 38.487 -0.741 0.000 1.187 1038 N HN 0.714 nan 8.380 nan 0.000 0.507 1039 D N 1.997 122.346 120.400 -0.086 0.000 2.428 1039 D HA 0.179 4.819 4.640 -0.001 0.000 0.221 1039 D C 1.176 177.489 176.300 0.021 0.000 1.123 1039 D CA -0.368 53.617 54.000 -0.025 0.000 0.869 1039 D CB 0.657 41.445 40.800 -0.021 0.000 1.032 1039 D HN 0.183 nan 8.370 nan 0.000 0.506 1040 R N 2.925 123.461 120.500 0.060 0.000 2.200 1040 R HA -0.044 4.295 4.340 -0.001 0.000 0.234 1040 R C 1.229 177.577 176.300 0.079 0.000 1.127 1040 R CA 0.628 56.785 56.100 0.095 0.000 0.989 1040 R CB -0.296 30.095 30.300 0.152 0.000 0.869 1040 R HN 0.537 nan 8.270 nan 0.000 0.459 1041 L N 0.251 121.509 121.223 0.058 0.000 2.592 1041 L HA 0.090 4.430 4.340 -0.001 0.000 0.227 1041 L C 1.289 178.179 176.870 0.033 0.000 1.127 1041 L CA 0.138 55.006 54.840 0.046 0.000 0.884 1041 L CB -0.142 41.939 42.059 0.037 0.000 1.065 1041 L HN 0.166 nan 8.230 nan 0.000 0.457 1042 S N -3.547 112.170 115.700 0.028 0.000 4.340 1042 S HA 0.280 4.750 4.470 -0.001 0.000 0.177 1042 S C 0.173 174.783 174.600 0.016 0.000 1.243 1042 S CA -0.397 57.814 58.200 0.017 0.000 1.127 1042 S CB 0.822 64.026 63.200 0.006 0.000 2.035 1042 S HN -0.036 nan 8.310 nan 0.000 0.741 1043 S N 0.251 115.953 115.700 0.002 0.000 2.747 1043 S HA 0.855 5.325 4.470 -0.001 0.000 0.300 1043 S C -0.877 173.715 174.600 -0.014 0.000 1.121 1043 S CA -0.129 58.069 58.200 -0.002 0.000 0.995 1043 S CB 1.458 64.647 63.200 -0.020 0.000 1.113 1043 S HN 1.117 nan 8.310 nan 0.000 0.547 1044 A N 2.699 125.513 122.820 -0.009 0.000 2.328 1044 A HA 0.569 4.888 4.320 -0.001 0.000 0.318 1044 A C -0.579 176.946 177.584 -0.098 0.000 1.347 1044 A CA -0.794 51.222 52.037 -0.035 0.000 0.842 1044 A CB 0.065 19.125 19.000 0.100 0.000 1.148 1044 A HN 0.711 nan 8.150 nan 0.000 0.499 1045 N N 1.516 120.131 118.700 -0.140 0.000 2.443 1045 N HA 0.468 5.208 4.740 -0.001 0.000 0.295 1045 N C -1.098 174.252 175.510 -0.266 0.000 1.076 1045 N CA -0.443 52.494 53.050 -0.189 0.000 0.919 1045 N CB 2.435 40.825 38.487 -0.163 0.000 1.176 1045 N HN 0.595 nan 8.380 nan 0.000 0.487 1046 L N 2.325 123.332 121.223 -0.359 0.000 2.287 1046 L HA 0.485 4.824 4.340 -0.001 0.000 0.287 1046 L C -1.575 174.988 176.870 -0.511 0.000 1.022 1046 L CA -0.442 54.173 54.840 -0.374 0.000 0.814 1046 L CB 0.381 42.261 42.059 -0.298 0.000 1.217 1046 L HN 0.346 nan 8.230 nan 0.000 0.420 1047 Y N 5.005 125.024 120.300 -0.470 0.000 2.446 1047 Y HA 0.677 5.227 4.550 -0.001 0.000 0.338 1047 Y C -0.208 175.325 175.900 -0.612 0.000 1.055 1047 Y CA -0.542 57.266 58.100 -0.487 0.000 1.101 1047 Y CB 1.772 39.972 38.460 -0.434 0.000 1.221 1047 Y HN 0.466 nan 8.280 nan 0.000 0.460 1048 I N 2.655 122.927 120.570 -0.498 0.000 2.465 1048 I HA 0.263 4.432 4.170 -0.001 0.000 0.291 1048 I C -0.664 175.155 176.117 -0.497 0.000 1.014 1048 I CA -1.018 59.919 61.300 -0.604 0.000 1.093 1048 I CB 1.357 38.823 38.000 -0.889 0.000 1.267 1048 I HN 0.618 nan 8.210 nan 0.000 0.431 1049 N N 5.182 123.562 118.700 -0.533 0.000 2.678 1049 N HA -0.212 4.527 4.740 -0.001 0.000 0.268 1049 N C 1.057 176.097 175.510 -0.783 0.000 1.010 1049 N CA 1.348 53.894 53.050 -0.839 0.000 0.784 1049 N CB -0.802 37.508 38.487 -0.294 0.000 0.905 1049 N HN 1.160 nan 8.380 nan 0.000 0.552 1050 G N -2.674 105.743 108.800 -0.637 0.000 2.205 1050 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.269 1050 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.269 1050 G C 0.113 174.997 174.900 -0.028 0.000 0.977 1050 G CA 0.727 45.674 45.100 -0.256 0.000 0.652 1050 G HN 0.566 nan 8.290 nan 0.000 0.539 1051 V N 1.196 121.083 119.914 -0.045 0.000 2.555 1051 V HA 0.605 4.724 4.120 -0.001 0.000 0.302 1051 V C 0.529 176.494 176.094 -0.215 0.000 1.038 1051 V CA -1.216 61.062 62.300 -0.036 0.000 0.887 1051 V CB 1.797 33.553 31.823 -0.111 0.000 0.991 1051 V HN 0.271 nan 8.190 nan 0.000 0.434 1052 L N 4.582 125.574 121.223 -0.385 0.000 2.559 1052 L HA 0.110 4.450 4.340 -0.001 0.000 0.274 1052 L C 0.614 177.220 176.870 -0.439 0.000 1.205 1052 L CA 0.883 55.301 54.840 -0.703 0.000 0.907 1052 L CB 0.442 42.190 42.059 -0.519 0.000 1.153 1052 L HN 0.774 nan 8.230 nan 0.000 0.490 1053 M N 2.699 122.019 119.600 -0.467 0.000 2.260 1053 M HA 0.451 4.930 4.480 -0.001 0.000 0.326 1053 M C 0.133 176.360 176.300 -0.122 0.000 0.930 1053 M CA -0.094 55.016 55.300 -0.318 0.000 1.051 1053 M CB 0.474 32.671 32.600 -0.673 0.000 1.748 1053 M HN 0.575 nan 8.290 nan 0.000 0.606 1054 G N -1.239 107.433 108.800 -0.214 0.000 2.519 1054 G HA2 0.515 4.475 3.960 -0.001 0.000 0.292 1054 G HA3 0.515 4.475 3.960 -0.001 0.000 0.292 1054 G C -1.786 173.034 174.900 -0.134 0.000 1.507 1054 G CA -0.150 44.895 45.100 -0.092 0.000 0.806 1054 G HN 0.069 nan 8.290 nan 0.000 0.523 1055 S N -1.154 114.505 115.700 -0.068 0.000 2.596 1055 S HA 0.978 5.448 4.470 -0.001 0.000 0.270 1055 S C -1.076 173.517 174.600 -0.012 0.000 1.155 1055 S CA 0.380 58.542 58.200 -0.063 0.000 0.827 1055 S CB 1.690 64.830 63.200 -0.100 0.000 1.130 1055 S HN 2.426 nan 8.310 nan 0.000 0.467 1056 A N 1.911 124.734 122.820 0.005 0.000 2.517 1056 A HA 0.669 4.989 4.320 -0.001 0.000 0.297 1056 A C -1.276 176.325 177.584 0.029 0.000 1.050 1056 A CA -0.610 51.444 52.037 0.028 0.000 0.694 1056 A CB 1.262 20.298 19.000 0.060 0.000 1.277 1056 A HN 0.752 nan 8.150 nan 0.000 0.400 1057 E N 0.828 121.042 120.200 0.025 0.000 2.316 1057 E HA 0.370 4.720 4.350 -0.001 0.000 0.275 1057 E C 0.357 176.981 176.600 0.039 0.000 1.029 1057 E CA 0.180 56.595 56.400 0.025 0.000 0.871 1057 E CB 0.522 30.233 29.700 0.020 0.000 1.022 1057 E HN 0.599 nan 8.360 nan 0.000 0.418 1058 I N -0.696 119.902 120.570 0.046 0.000 3.966 1058 I HA 0.155 4.324 4.170 -0.001 0.000 0.324 1058 I C 0.128 176.283 176.117 0.063 0.000 1.517 1058 I CA -0.649 60.688 61.300 0.062 0.000 1.117 1058 I CB 0.561 38.611 38.000 0.083 0.000 1.190 1058 I HN 0.174 nan 8.210 nan 0.000 0.466 1059 T N -0.705 113.881 114.554 0.052 0.000 2.919 1059 T HA 0.545 4.895 4.350 -0.001 0.000 0.302 1059 T C 1.200 175.931 174.700 0.052 0.000 1.031 1059 T CA 0.236 62.368 62.100 0.055 0.000 1.127 1059 T CB 1.148 70.042 68.868 0.044 0.000 0.952 1059 T HN 0.929 nan 8.240 nan 0.000 0.540 1060 G N 1.578 110.413 108.800 0.058 0.000 2.184 1060 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.206 1060 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.206 1060 G C -0.149 174.786 174.900 0.057 0.000 0.995 1060 G CA -0.370 44.761 45.100 0.052 0.000 0.651 1060 G HN 0.789 nan 8.290 nan 0.000 0.511 1061 L N 0.606 121.871 121.223 0.071 0.000 2.322 1061 L HA 0.726 5.065 4.340 -0.001 0.000 0.279 1061 L C 1.397 178.323 176.870 0.093 0.000 1.036 1061 L CA -0.314 54.567 54.840 0.068 0.000 0.807 1061 L CB 1.509 43.608 42.059 0.068 0.000 1.226 1061 L HN 0.182 nan 8.230 nan 0.000 0.433 1062 G N 1.060 109.902 108.800 0.070 0.000 3.434 1062 G HA2 0.531 4.490 3.960 -0.001 0.000 0.192 1062 G HA3 0.531 4.490 3.960 -0.001 0.000 0.192 1062 G C -0.462 174.403 174.900 -0.058 0.000 1.704 1062 G CA -0.035 45.125 45.100 0.101 0.000 0.936 1062 G HN 0.671 nan 8.290 nan 0.000 0.623 1063 A N -0.190 122.534 122.820 -0.160 0.000 2.302 1063 A HA 0.615 4.935 4.320 -0.001 0.000 0.295 1063 A C -0.222 177.192 177.584 -0.284 0.000 1.235 1063 A CA -0.368 51.374 52.037 -0.492 0.000 0.876 1063 A CB -0.148 18.603 19.000 -0.415 0.000 1.133 1063 A HN 0.392 nan 8.150 nan 0.000 0.533 1064 I N 2.594 122.983 120.570 -0.302 0.000 2.416 1064 I HA 0.228 4.397 4.170 -0.001 0.000 0.288 1064 I C 0.901 176.935 176.117 -0.138 0.000 1.051 1064 I CA 0.340 61.562 61.300 -0.130 0.000 1.375 1064 I CB 0.812 38.795 38.000 -0.028 0.000 1.407 1064 I HN 0.635 nan 8.210 nan 0.000 0.516 1065 R N 6.288 126.731 120.500 -0.095 0.000 2.738 1065 R HA 0.143 4.483 4.340 -0.001 0.000 0.280 1065 R C 0.049 176.312 176.300 -0.061 0.000 1.456 1065 R CA -0.332 55.725 56.100 -0.070 0.000 1.612 1065 R CB 0.657 30.914 30.300 -0.072 0.000 1.286 1065 R HN 0.718 nan 8.270 nan 0.000 0.660 1066 E N -0.060 120.098 120.200 -0.071 0.000 3.976 1066 E HA 0.018 4.367 4.350 -0.001 0.000 0.377 1066 E C -0.244 176.297 176.600 -0.097 0.000 1.526 1066 E CA -0.537 55.787 56.400 -0.126 0.000 2.100 1066 E CB 0.405 29.987 29.700 -0.198 0.000 1.275 1066 E HN -0.037 nan 8.360 nan 0.000 0.764 1067 D N -1.072 119.240 120.400 -0.146 0.000 2.432 1067 D HA 0.027 4.666 4.640 -0.001 0.000 0.258 1067 D C 0.368 176.611 176.300 -0.094 0.000 1.146 1067 D CA -0.566 53.365 54.000 -0.114 0.000 1.015 1067 D CB 1.122 41.828 40.800 -0.157 0.000 1.107 1067 D HN 0.457 nan 8.370 nan 0.000 0.529 1068 N N 0.619 119.282 118.700 -0.062 0.000 2.422 1068 N HA -0.047 4.693 4.740 -0.001 0.000 0.181 1068 N C -0.920 174.553 175.510 -0.061 0.000 1.080 1068 N CA 0.154 53.177 53.050 -0.044 0.000 0.893 1068 N CB 0.023 38.513 38.487 0.005 0.000 0.973 1068 N HN 0.206 nan 8.380 nan 0.000 0.456 1069 N N 0.303 118.931 118.700 -0.120 0.000 2.399 1069 N HA 0.313 5.052 4.740 -0.001 0.000 0.295 1069 N C -0.961 174.420 175.510 -0.214 0.000 1.048 1069 N CA -0.374 52.562 53.050 -0.189 0.000 0.886 1069 N CB 1.847 40.172 38.487 -0.272 0.000 1.185 1069 N HN 0.056 nan 8.380 nan 0.000 0.487 1070 I N 1.067 121.525 120.570 -0.187 0.000 2.336 1070 I HA 0.198 4.368 4.170 -0.001 0.000 0.292 1070 I C 0.051 176.023 176.117 -0.241 0.000 0.991 1070 I CA -0.117 61.051 61.300 -0.220 0.000 1.227 1070 I CB 1.120 39.082 38.000 -0.063 0.000 1.366 1070 I HN 0.256 nan 8.210 nan 0.000 0.466 1071 T N 7.444 121.829 114.554 -0.281 0.000 2.772 1071 T HA 0.517 4.866 4.350 -0.001 0.000 0.288 1071 T C -0.379 174.169 174.700 -0.254 0.000 0.994 1071 T CA -0.480 61.465 62.100 -0.258 0.000 0.951 1071 T CB 0.696 69.415 68.868 -0.249 0.000 0.933 1071 T HN 0.089 nan 8.240 nan 0.000 0.447 1072 L N 4.370 125.451 121.223 -0.237 0.000 2.264 1072 L HA 0.662 5.001 4.340 -0.001 0.000 0.289 1072 L C 0.124 176.901 176.870 -0.155 0.000 1.044 1072 L CA 0.123 54.837 54.840 -0.211 0.000 0.807 1072 L CB 0.548 42.476 42.059 -0.218 0.000 1.192 1072 L HN 0.559 nan 8.230 nan 0.000 0.425 1073 K N 3.769 124.095 120.400 -0.123 0.000 2.768 1073 K HA 0.216 4.536 4.320 -0.001 0.000 0.283 1073 K C -1.788 174.775 176.600 -0.063 0.000 1.078 1073 K CA -0.680 55.543 56.287 -0.106 0.000 0.920 1073 K CB 0.956 33.364 32.500 -0.153 0.000 1.390 1073 K HN 0.419 nan 8.250 nan 0.000 0.389 1074 L N 3.528 124.726 121.223 -0.042 0.000 2.530 1074 L HA 0.144 4.484 4.340 -0.001 0.000 0.273 1074 L C 0.296 177.153 176.870 -0.021 0.000 1.141 1074 L CA 0.096 54.940 54.840 0.006 0.000 0.905 1074 L CB 0.029 42.041 42.059 -0.079 0.000 1.202 1074 L HN 0.523 nan 8.230 nan 0.000 0.473 1075 D N 4.217 124.631 120.400 0.024 0.000 2.163 1075 D HA 0.218 4.857 4.640 -0.001 0.000 0.248 1075 D C 0.409 176.717 176.300 0.013 0.000 1.035 1075 D CA -0.528 53.460 54.000 -0.021 0.000 0.872 1075 D CB 1.069 41.836 40.800 -0.056 0.000 1.183 1075 D HN 0.358 nan 8.370 nan 0.000 0.445 1076 R N 0.668 121.151 120.500 -0.028 0.000 3.387 1076 R HA -0.204 4.136 4.340 -0.001 0.000 0.254 1076 R C -0.136 176.161 176.300 -0.004 0.000 1.006 1076 R CA 0.336 56.423 56.100 -0.021 0.000 0.677 1076 R CB -2.263 28.026 30.300 -0.019 0.000 1.063 1076 R HN 0.348 nan 8.270 nan 0.000 0.453 1077 C N 0.515 119.758 119.300 -0.095 0.000 2.347 1077 C HA 0.307 4.767 4.460 -0.001 0.000 0.353 1077 C C 1.364 176.227 174.990 -0.213 0.000 1.273 1077 C CA -0.790 58.065 59.018 -0.272 0.000 1.861 1077 C CB 0.569 27.825 27.740 -0.807 0.000 2.420 1077 C HN 0.491 nan 8.230 nan 0.000 0.542 1078 N N 3.073 121.699 118.700 -0.123 0.000 2.398 1078 N HA 0.077 4.817 4.740 -0.001 0.000 0.188 1078 N C -0.417 175.039 175.510 -0.090 0.000 1.122 1078 N CA 0.389 53.436 53.050 -0.006 0.000 0.866 1078 N CB -0.192 38.401 38.487 0.178 0.000 0.970 1078 N HN 0.817 nan 8.380 nan 0.000 0.462 1079 N N 0.150 118.568 118.700 -0.470 0.000 2.446 1079 N HA 0.196 4.936 4.740 -0.001 0.000 0.265 1079 N C 0.272 175.536 175.510 -0.409 0.000 0.975 1079 N CA -0.345 52.254 53.050 -0.751 0.000 0.928 1079 N CB 0.598 38.168 38.487 -1.528 0.000 1.160 1079 N HN -0.162 nan 8.380 nan 0.000 0.495 1080 N N 2.867 121.428 118.700 -0.233 0.000 2.166 1080 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 1080 N C 0.366 175.804 175.510 -0.119 0.000 1.019 1080 N CA 0.907 53.876 53.050 -0.135 0.000 0.856 1080 N CB -0.035 38.414 38.487 -0.064 0.000 0.993 1080 N HN 0.602 nan 8.380 nan 0.000 0.426 1081 N N 1.073 119.701 118.700 -0.121 0.000 2.494 1081 N HA -0.077 4.663 4.740 -0.001 0.000 0.182 1081 N C 0.613 176.092 175.510 -0.050 0.000 1.076 1081 N CA 0.224 53.254 53.050 -0.033 0.000 0.908 1081 N CB -0.111 38.387 38.487 0.019 0.000 0.967 1081 N HN 0.330 nan 8.380 nan 0.000 0.449 1082 Q N 1.005 120.671 119.800 -0.223 0.000 2.386 1082 Q HA 0.018 4.357 4.340 -0.001 0.000 0.282 1082 Q C -0.999 174.906 176.000 -0.159 0.000 1.050 1082 Q CA 0.477 56.093 55.803 -0.312 0.000 0.918 1082 Q CB 0.123 28.584 28.738 -0.462 0.000 1.266 1082 Q HN 0.343 nan 8.270 nan 0.000 0.423 1083 Y N -0.111 120.107 120.300 -0.137 0.000 2.641 1083 Y HA 0.667 5.217 4.550 -0.001 0.000 0.333 1083 Y C -1.532 174.296 175.900 -0.120 0.000 1.174 1083 Y CA -1.082 56.911 58.100 -0.179 0.000 1.057 1083 Y CB 0.459 38.792 38.460 -0.212 0.000 1.322 1083 Y HN 0.487 nan 8.280 nan 0.000 0.457 1084 V N -1.522 118.436 119.914 0.073 0.000 3.188 1084 V HA 0.935 5.054 4.120 -0.001 0.000 0.305 1084 V C -1.023 175.129 176.094 0.096 0.000 1.232 1084 V CA -0.944 61.408 62.300 0.086 0.000 1.043 1084 V CB 1.704 33.573 31.823 0.077 0.000 1.068 1084 V HN 0.984 nan 8.190 nan 0.000 0.439 1085 S N 1.988 117.750 115.700 0.103 0.000 2.521 1085 S HA 0.861 5.331 4.470 -0.001 0.000 0.295 1085 S C -0.723 174.049 174.600 0.286 0.000 1.098 1085 S CA -0.506 57.816 58.200 0.203 0.000 0.999 1085 S CB 1.441 64.765 63.200 0.207 0.000 1.034 1085 S HN 0.747 nan 8.310 nan 0.000 0.483 1086 I N 2.025 122.863 120.570 0.446 0.000 2.647 1086 I HA 0.550 4.720 4.170 -0.001 0.000 0.295 1086 I C -1.204 175.251 176.117 0.564 0.000 1.078 1086 I CA -0.569 61.046 61.300 0.524 0.000 1.048 1086 I CB 2.311 40.474 38.000 0.272 0.000 1.239 1086 I HN 0.475 nan 8.210 nan 0.000 0.421 1087 D N 4.918 125.685 120.400 0.611 0.000 2.756 1087 D HA 0.351 4.990 4.640 -0.001 0.000 0.226 1087 D C -0.846 175.679 176.300 0.375 0.000 1.186 1087 D CA -0.303 53.906 54.000 0.348 0.000 0.845 1087 D CB 1.513 42.328 40.800 0.026 0.000 1.610 1087 D HN 0.325 nan 8.370 nan 0.000 0.465 1088 K N 1.546 122.094 120.400 0.247 0.000 3.161 1088 K HA -0.222 4.098 4.320 -0.001 0.000 0.270 1088 K C -0.307 176.480 176.600 0.312 0.000 1.115 1088 K CA 0.171 56.589 56.287 0.217 0.000 0.789 1088 K CB -2.486 30.047 32.500 0.055 0.000 1.256 1088 K HN 0.477 nan 8.250 nan 0.000 0.492 1089 F N 1.565 121.645 119.950 0.216 0.000 2.533 1089 F HA 0.176 4.702 4.527 -0.001 0.000 0.378 1089 F C 0.810 176.697 175.800 0.146 0.000 1.070 1089 F CA 0.250 58.376 58.000 0.210 0.000 1.172 1089 F CB 0.386 39.467 39.000 0.135 0.000 1.085 1089 F HN 0.156 nan 8.300 nan 0.000 0.552 1090 R N 6.353 126.529 120.500 -0.540 0.000 2.771 1090 R HA 0.711 5.051 4.340 -0.001 0.000 0.274 1090 R C -1.784 174.124 176.300 -0.654 0.000 0.987 1090 R CA -0.831 54.995 56.100 -0.457 0.000 0.908 1090 R CB 1.672 31.808 30.300 -0.272 0.000 1.213 1090 R HN 0.762 nan 8.270 nan 0.000 0.468 1091 I N 3.192 123.443 120.570 -0.531 0.000 2.533 1091 I HA 0.411 4.581 4.170 -0.001 0.000 0.290 1091 I C -1.216 174.679 176.117 -0.369 0.000 1.056 1091 I CA -0.661 60.436 61.300 -0.338 0.000 1.057 1091 I CB 1.858 39.803 38.000 -0.092 0.000 1.240 1091 I HN 0.422 nan 8.210 nan 0.000 0.423 1092 F N 3.675 123.642 119.950 0.028 0.000 2.522 1092 F HA 0.341 4.868 4.527 -0.001 0.000 0.324 1092 F C 0.701 176.555 175.800 0.089 0.000 1.077 1092 F CA -1.091 56.938 58.000 0.048 0.000 0.944 1092 F CB 1.326 40.335 39.000 0.014 0.000 1.175 1092 F HN 0.479 nan 8.300 nan 0.000 0.468 1093 C N 1.356 120.813 119.300 0.260 0.000 2.687 1093 C HA 0.683 5.142 4.460 -0.001 0.000 0.465 1093 C C -0.236 174.862 174.990 0.181 0.000 1.304 1093 C CA -0.701 58.439 59.018 0.204 0.000 1.620 1093 C CB -2.291 25.530 27.740 0.135 0.000 2.212 1093 C HN 0.892 nan 8.230 nan 0.000 0.616 1094 K N -0.284 120.217 120.400 0.168 0.000 2.625 1094 K HA 0.636 4.955 4.320 -0.001 0.000 0.284 1094 K C -1.329 175.267 176.600 -0.007 0.000 0.984 1094 K CA -0.293 56.038 56.287 0.073 0.000 0.865 1094 K CB 0.789 33.312 32.500 0.038 0.000 1.468 1094 K HN 0.259 nan 8.250 nan 0.000 0.407 1095 A N 3.320 126.108 122.820 -0.053 0.000 2.302 1095 A HA 0.436 4.756 4.320 -0.001 0.000 0.295 1095 A C -0.168 177.316 177.584 -0.167 0.000 1.235 1095 A CA -0.754 51.209 52.037 -0.125 0.000 0.876 1095 A CB -0.184 18.752 19.000 -0.106 0.000 1.133 1095 A HN 0.590 nan 8.150 nan 0.000 0.533 1096 L N 3.502 124.571 121.223 -0.257 0.000 2.439 1096 L HA 0.136 4.475 4.340 -0.001 0.000 0.269 1096 L C 0.864 177.571 176.870 -0.272 0.000 1.179 1096 L CA -0.355 54.294 54.840 -0.318 0.000 0.828 1096 L CB 0.425 42.198 42.059 -0.477 0.000 1.106 1096 L HN 0.887 nan 8.230 nan 0.000 0.467 1097 N N 2.232 120.796 118.700 -0.227 0.000 2.493 1097 N HA 0.219 4.959 4.740 -0.001 0.000 0.275 1097 N C -2.351 173.016 175.510 -0.238 0.000 1.186 1097 N CA -1.676 51.267 53.050 -0.178 0.000 0.978 1097 N CB 1.148 39.565 38.487 -0.117 0.000 1.184 1097 N HN 0.237 nan 8.380 nan 0.000 0.487 1098 P HA -0.181 nan 4.420 nan 0.000 0.216 1098 P C 1.099 178.303 177.300 -0.160 0.000 1.154 1098 P CA 1.812 64.795 63.100 -0.194 0.000 0.865 1098 P CB 0.181 31.861 31.700 -0.033 0.000 0.789 1099 K N -0.339 119.992 120.400 -0.115 0.000 2.032 1099 K HA -0.186 4.133 4.320 -0.001 0.000 0.209 1099 K C 2.098 178.629 176.600 -0.115 0.000 1.048 1099 K CA 1.623 57.855 56.287 -0.092 0.000 0.927 1099 K CB -0.351 32.107 32.500 -0.069 0.000 0.712 1099 K HN 0.212 nan 8.250 nan 0.000 0.441 1100 E N 0.508 120.617 120.200 -0.153 0.000 2.085 1100 E HA -0.196 4.153 4.350 -0.001 0.000 0.194 1100 E C 2.006 178.492 176.600 -0.190 0.000 0.994 1100 E CA 1.274 57.568 56.400 -0.176 0.000 0.801 1100 E CB -0.124 29.442 29.700 -0.223 0.000 0.743 1100 E HN 0.284 nan 8.360 nan 0.000 0.453 1101 I N 0.843 121.265 120.570 -0.247 0.000 2.142 1101 I HA -0.281 3.889 4.170 -0.001 0.000 0.240 1101 I C 2.634 178.705 176.117 -0.076 0.000 1.078 1101 I CA 1.360 62.515 61.300 -0.242 0.000 1.343 1101 I CB -0.284 37.417 38.000 -0.499 0.000 1.046 1101 I HN 0.084 nan 8.210 nan 0.000 0.405 1102 E N 1.639 121.800 120.200 -0.064 0.000 2.085 1102 E HA -0.298 4.051 4.350 -0.001 0.000 0.194 1102 E C 2.063 178.689 176.600 0.043 0.000 0.994 1102 E CA 1.823 58.258 56.400 0.058 0.000 0.801 1102 E CB -0.119 29.599 29.700 0.031 0.000 0.743 1102 E HN 0.305 nan 8.360 nan 0.000 0.453 1103 K N 0.051 120.432 120.400 -0.032 0.000 2.002 1103 K HA -0.134 4.186 4.320 -0.001 0.000 0.209 1103 K C 2.214 178.763 176.600 -0.085 0.000 1.048 1103 K CA 1.411 57.661 56.287 -0.061 0.000 0.930 1103 K CB -0.427 32.027 32.500 -0.076 0.000 0.714 1103 K HN 0.227 nan 8.250 nan 0.000 0.438 1104 L N 0.607 121.784 121.223 -0.076 0.000 1.976 1104 L HA -0.298 4.041 4.340 -0.001 0.000 0.223 1104 L C 2.469 179.244 176.870 -0.158 0.000 1.081 1104 L CA 2.294 57.084 54.840 -0.084 0.000 0.784 1104 L CB -0.773 41.332 42.059 0.078 0.000 0.896 1104 L HN 0.419 nan 8.230 nan 0.000 0.438 1105 Y N 1.278 121.459 120.300 -0.199 0.000 2.114 1105 Y HA -0.309 4.240 4.550 -0.001 0.000 0.282 1105 Y C 2.925 178.734 175.900 -0.150 0.000 1.165 1105 Y CA 2.375 60.276 58.100 -0.332 0.000 1.148 1105 Y CB -0.917 37.500 38.460 -0.072 0.000 0.972 1105 Y HN 0.456 nan 8.280 nan 0.000 0.504 1106 T N -2.364 112.054 114.554 -0.227 0.000 3.085 1106 T HA -0.066 4.284 4.350 -0.001 0.000 0.263 1106 T C 2.022 176.597 174.700 -0.209 0.000 1.127 1106 T CA 0.951 62.868 62.100 -0.305 0.000 1.103 1106 T CB -0.898 67.850 68.868 -0.200 0.000 0.921 1106 T HN 0.458 nan 8.240 nan 0.000 0.510 1107 S N 0.438 115.986 115.700 -0.253 0.000 2.423 1107 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 1107 S C 1.548 175.980 174.600 -0.280 0.000 1.014 1107 S CA 0.356 58.380 58.200 -0.292 0.000 0.965 1107 S CB -0.905 62.073 63.200 -0.370 0.000 0.785 1107 S HN 0.624 nan 8.310 nan 0.000 0.495 1108 Y N 1.247 121.525 120.300 -0.035 0.000 2.519 1108 Y HA 0.421 4.971 4.550 -0.001 0.000 0.287 1108 Y C 0.750 176.624 175.900 -0.043 0.000 1.128 1108 Y CA -0.349 57.755 58.100 0.007 0.000 1.282 1108 Y CB -0.345 38.223 38.460 0.180 0.000 1.027 1108 Y HN 0.184 nan 8.280 nan 0.000 0.551 1109 L N 1.698 122.956 121.223 0.059 0.000 2.387 1109 L HA 0.154 4.494 4.340 -0.001 0.000 0.267 1109 L C 0.572 177.436 176.870 -0.009 0.000 1.197 1109 L CA -0.492 54.353 54.840 0.009 0.000 1.070 1109 L CB -0.419 41.615 42.059 -0.041 0.000 1.349 1109 L HN 0.031 nan 8.230 nan 0.000 0.422 1110 S N 1.210 116.920 115.700 0.017 0.000 2.537 1110 S HA 0.191 4.660 4.470 -0.001 0.000 0.286 1110 S C 1.064 175.669 174.600 0.008 0.000 1.299 1110 S CA -0.579 57.641 58.200 0.033 0.000 1.067 1110 S CB 0.513 63.794 63.200 0.135 0.000 0.864 1110 S HN 0.517 nan 8.310 nan 0.000 0.494 1111 I N 1.161 121.700 120.570 -0.052 0.000 3.728 1111 I HA 0.019 4.188 4.170 -0.001 0.000 0.307 1111 I C 2.063 178.084 176.117 -0.160 0.000 1.276 1111 I CA 0.242 61.496 61.300 -0.076 0.000 1.285 1111 I CB -0.968 36.990 38.000 -0.070 0.000 1.038 1111 I HN 0.774 nan 8.210 nan 0.000 0.445 1112 T N -0.887 113.465 114.554 -0.337 0.000 3.014 1112 T HA 0.110 4.459 4.350 -0.001 0.000 0.263 1112 T C 0.456 174.759 174.700 -0.661 0.000 1.078 1112 T CA 0.447 62.198 62.100 -0.582 0.000 1.135 1112 T CB -0.487 67.851 68.868 -0.883 0.000 0.895 1112 T HN 0.151 nan 8.240 nan 0.000 0.480 1113 F N 1.676 121.617 119.950 -0.014 0.000 2.420 1113 F HA 0.580 5.106 4.527 -0.001 0.000 0.342 1113 F C 0.217 175.996 175.800 -0.035 0.000 1.113 1113 F CA -1.573 56.421 58.000 -0.011 0.000 1.059 1113 F CB 0.930 39.855 39.000 -0.125 0.000 1.128 1113 F HN -0.097 nan 8.300 nan 0.000 0.475 1114 L N 3.819 125.111 121.223 0.114 0.000 2.439 1114 L HA 0.553 4.892 4.340 -0.001 0.000 0.261 1114 L C 0.096 176.967 176.870 0.002 0.000 1.153 1114 L CA -0.740 54.111 54.840 0.017 0.000 0.808 1114 L CB 0.697 42.710 42.059 -0.076 0.000 1.126 1114 L HN 0.624 nan 8.230 nan 0.000 0.460 1115 R N 0.082 120.574 120.500 -0.012 0.000 2.778 1115 R HA 0.407 4.747 4.340 -0.001 0.000 0.277 1115 R C -1.272 175.024 176.300 -0.007 0.000 0.977 1115 R CA -1.010 55.068 56.100 -0.037 0.000 0.950 1115 R CB 1.517 31.741 30.300 -0.127 0.000 1.165 1115 R HN 0.620 nan 8.270 nan 0.000 0.474 1116 D N 0.500 120.905 120.400 0.009 0.000 2.506 1116 D HA -0.009 4.630 4.640 -0.001 0.000 0.272 1116 D C 0.532 176.910 176.300 0.131 0.000 1.214 1116 D CA -0.734 53.317 54.000 0.084 0.000 1.067 1116 D CB 0.265 41.207 40.800 0.236 0.000 1.117 1116 D HN 0.406 nan 8.370 nan 0.000 0.578 1117 F N -0.728 119.163 119.950 -0.098 0.000 2.269 1117 F HA 0.009 4.535 4.527 -0.001 0.000 0.301 1117 F C 1.103 176.737 175.800 -0.276 0.000 1.082 1117 F CA 0.755 58.578 58.000 -0.294 0.000 1.360 1117 F CB -0.064 38.524 39.000 -0.687 0.000 1.041 1117 F HN 0.352 nan 8.300 nan 0.000 0.512 1118 W N -0.386 120.957 121.300 0.073 0.000 3.290 1118 W HA 0.361 5.021 4.660 -0.001 0.000 0.287 1118 W C 1.789 178.270 176.519 -0.064 0.000 1.288 1118 W CA 0.573 57.910 57.345 -0.014 0.000 1.725 1118 W CB -0.118 29.401 29.460 0.098 0.000 1.103 1118 W HN 0.148 nan 8.180 nan 0.000 0.670 1119 G N -0.019 108.636 108.800 -0.241 0.000 2.179 1119 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.220 1119 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.220 1119 G C 0.208 174.959 174.900 -0.249 0.000 0.990 1119 G CA -0.435 44.207 45.100 -0.763 0.000 0.646 1119 G HN 0.130 nan 8.290 nan 0.000 0.517 1120 N N 1.489 120.215 118.700 0.044 0.000 2.463 1120 N HA 0.498 5.237 4.740 -0.001 0.000 0.270 1120 N C -2.653 172.848 175.510 -0.014 0.000 1.205 1120 N CA -1.513 51.566 53.050 0.048 0.000 0.974 1120 N CB 0.562 39.185 38.487 0.226 0.000 1.197 1120 N HN 0.032 nan 8.380 nan 0.000 0.504 1121 P HA -0.030 nan 4.420 nan 0.000 0.262 1121 P C 0.166 177.503 177.300 0.062 0.000 1.182 1121 P CA 0.181 63.269 63.100 -0.021 0.000 0.761 1121 P CB 0.489 32.128 31.700 -0.101 0.000 0.795 1122 L N 4.266 125.501 121.223 0.020 0.000 2.456 1122 L HA 0.109 4.449 4.340 -0.001 0.000 0.272 1122 L C 0.809 177.697 176.870 0.031 0.000 1.189 1122 L CA 0.321 55.126 54.840 -0.058 0.000 0.846 1122 L CB 0.320 42.224 42.059 -0.258 0.000 1.111 1122 L HN 0.370 nan 8.230 nan 0.000 0.475 1123 R N 3.029 123.605 120.500 0.127 0.000 2.740 1123 R HA 0.381 4.720 4.340 -0.001 0.000 0.282 1123 R C -1.036 175.280 176.300 0.027 0.000 0.969 1123 R CA -0.779 55.398 56.100 0.129 0.000 0.918 1123 R CB 1.392 31.827 30.300 0.225 0.000 1.175 1123 R HN 0.325 nan 8.270 nan 0.000 0.464 1124 Y N 1.134 121.502 120.300 0.113 0.000 2.299 1124 Y HA 0.028 4.577 4.550 -0.001 0.000 0.335 1124 Y C 0.955 176.907 175.900 0.087 0.000 1.287 1124 Y CA 0.418 58.575 58.100 0.096 0.000 1.424 1124 Y CB 0.631 39.121 38.460 0.051 0.000 1.326 1124 Y HN 0.660 nan 8.280 nan 0.000 0.567 1125 D N -1.096 119.464 120.400 0.267 0.000 3.018 1125 D HA -0.202 4.438 4.640 -0.001 0.000 0.224 1125 D C 0.061 176.400 176.300 0.065 0.000 1.185 1125 D CA 1.403 55.485 54.000 0.137 0.000 0.858 1125 D CB -1.652 39.201 40.800 0.089 0.000 1.112 1125 D HN 0.550 nan 8.370 nan 0.000 0.415 1126 T N -2.423 112.151 114.554 0.034 0.000 2.912 1126 T HA 0.488 4.838 4.350 -0.001 0.000 0.288 1126 T C -0.042 174.523 174.700 -0.225 0.000 1.030 1126 T CA -0.775 61.245 62.100 -0.133 0.000 1.020 1126 T CB 2.772 71.490 68.868 -0.249 0.000 1.056 1126 T HN -0.028 nan 8.240 nan 0.000 0.480 1127 E N 1.386 121.422 120.200 -0.274 0.000 2.331 1127 E HA 0.384 4.734 4.350 -0.001 0.000 0.272 1127 E C -1.320 175.023 176.600 -0.430 0.000 1.036 1127 E CA -0.361 55.906 56.400 -0.222 0.000 0.864 1127 E CB 0.742 30.326 29.700 -0.194 0.000 1.035 1127 E HN 0.605 nan 8.360 nan 0.000 0.408 1128 Y N 0.654 120.972 120.300 0.029 0.000 2.513 1128 Y HA 0.253 4.802 4.550 -0.001 0.000 0.340 1128 Y C -1.004 174.886 175.900 -0.018 0.000 1.055 1128 Y CA -0.912 57.254 58.100 0.109 0.000 1.020 1128 Y CB 1.087 39.770 38.460 0.371 0.000 1.301 1128 Y HN 0.421 nan 8.280 nan 0.000 0.453 1129 Y N 2.841 123.356 120.300 0.358 0.000 2.313 1129 Y HA 0.455 5.005 4.550 -0.001 0.000 0.332 1129 Y C -0.058 175.919 175.900 0.128 0.000 1.071 1129 Y CA -0.689 57.559 58.100 0.247 0.000 1.169 1129 Y CB 0.832 39.405 38.460 0.189 0.000 1.192 1129 Y HN 0.309 nan 8.280 nan 0.000 0.487 1130 L N 5.627 126.978 121.223 0.213 0.000 2.305 1130 L HA 0.471 4.811 4.340 -0.001 0.000 0.281 1130 L C -0.454 176.520 176.870 0.174 0.000 1.085 1130 L CA -0.226 54.584 54.840 -0.051 0.000 0.813 1130 L CB 0.626 42.408 42.059 -0.463 0.000 1.157 1130 L HN 0.569 nan 8.230 nan 0.000 0.436 1131 I N 4.756 125.465 120.570 0.230 0.000 2.569 1131 I HA 0.326 4.495 4.170 -0.001 0.000 0.290 1131 I C -2.403 173.831 176.117 0.196 0.000 1.088 1131 I CA -2.001 59.439 61.300 0.233 0.000 1.047 1131 I CB 3.053 41.139 38.000 0.144 0.000 1.237 1131 I HN 0.346 nan 8.210 nan 0.000 0.421 1132 P HA 0.092 nan 4.420 nan 0.000 0.282 1132 P C 0.853 177.941 177.300 -0.353 0.000 1.274 1132 P CA -0.095 62.648 63.100 -0.595 0.000 0.770 1132 P CB 1.631 32.922 31.700 -0.682 0.000 0.867 1133 V N 4.309 123.916 119.914 -0.511 0.000 2.324 1133 V HA -0.296 3.824 4.120 -0.001 0.000 0.250 1133 V C 2.623 178.610 176.094 -0.179 0.000 1.060 1133 V CA 2.833 64.882 62.300 -0.418 0.000 1.042 1133 V CB -1.598 29.885 31.823 -0.568 0.000 0.650 1133 V HN 0.618 nan 8.190 nan 0.000 0.450 1134 A N -1.274 121.411 122.820 -0.225 0.000 2.125 1134 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 1134 A C 1.715 179.242 177.584 -0.096 0.000 1.156 1134 A CA 1.729 53.680 52.037 -0.142 0.000 0.671 1134 A CB -0.172 18.717 19.000 -0.184 0.000 0.794 1134 A HN 0.500 nan 8.150 nan 0.000 0.459 1135 S N -0.928 114.705 115.700 -0.111 0.000 2.539 1135 S HA 0.143 4.612 4.470 -0.001 0.000 0.185 1135 S C 0.777 175.334 174.600 -0.072 0.000 1.181 1135 S CA 0.153 58.306 58.200 -0.078 0.000 1.216 1135 S CB 0.524 63.667 63.200 -0.095 0.000 1.476 1135 S HN 0.679 nan 8.310 nan 0.000 0.395 1136 S N 1.011 116.688 115.700 -0.038 0.000 2.653 1136 S HA -0.066 4.404 4.470 -0.001 0.000 0.233 1136 S C 1.488 175.909 174.600 -0.299 0.000 0.970 1136 S CA 0.757 58.895 58.200 -0.103 0.000 0.947 1136 S CB -0.466 62.816 63.200 0.135 0.000 0.771 1136 S HN 0.569 nan 8.310 nan 0.000 0.538 1137 S N -0.187 115.401 115.700 -0.186 0.000 2.556 1137 S HA 0.328 4.798 4.470 -0.001 0.000 0.216 1137 S C 0.277 174.813 174.600 -0.107 0.000 0.970 1137 S CA -0.618 57.489 58.200 -0.156 0.000 0.912 1137 S CB -0.019 63.137 63.200 -0.074 0.000 0.790 1137 S HN 0.293 nan 8.310 nan 0.000 0.504 1138 K N 1.942 122.288 120.400 -0.091 0.000 2.270 1138 K HA 0.511 4.831 4.320 -0.001 0.000 0.255 1138 K C -1.296 175.295 176.600 -0.016 0.000 0.936 1138 K CA -0.456 55.807 56.287 -0.040 0.000 0.809 1138 K CB 1.466 33.958 32.500 -0.014 0.000 1.131 1138 K HN 0.120 nan 8.250 nan 0.000 0.427 1139 D N 0.778 121.178 120.400 0.000 0.000 2.326 1139 D HA 0.344 4.983 4.640 -0.001 0.000 0.251 1139 D C -0.194 176.143 176.300 0.061 0.000 1.023 1139 D CA -0.601 53.421 54.000 0.037 0.000 0.966 1139 D CB 1.762 42.568 40.800 0.009 0.000 1.156 1139 D HN 0.005 nan 8.370 nan 0.000 0.494 1140 V N 0.912 120.896 119.914 0.116 0.000 2.743 1140 V HA 0.431 4.550 4.120 -0.001 0.000 0.301 1140 V C 0.106 176.179 176.094 -0.035 0.000 1.057 1140 V CA -0.368 61.987 62.300 0.092 0.000 1.006 1140 V CB 1.529 33.483 31.823 0.219 0.000 1.024 1140 V HN 0.471 nan 8.190 nan 0.000 0.473 1141 Q N 2.410 122.075 119.800 -0.225 0.000 2.501 1141 Q HA 0.693 5.032 4.340 -0.001 0.000 0.288 1141 Q C -1.896 173.928 176.000 -0.294 0.000 1.051 1141 Q CA -0.647 54.960 55.803 -0.326 0.000 0.788 1141 Q CB 1.973 30.416 28.738 -0.492 0.000 1.469 1141 Q HN 0.608 nan 8.270 nan 0.000 0.416 1142 L N 2.449 123.554 121.223 -0.196 0.000 2.325 1142 L HA 0.537 4.877 4.340 -0.001 0.000 0.281 1142 L C 0.429 177.240 176.870 -0.099 0.000 1.004 1142 L CA -0.246 54.488 54.840 -0.175 0.000 0.823 1142 L CB 1.377 43.201 42.059 -0.393 0.000 1.236 1142 L HN 0.817 nan 8.230 nan 0.000 0.415 1143 K N 3.178 123.492 120.400 -0.143 0.000 2.015 1143 K HA -0.047 4.272 4.320 -0.001 0.000 0.216 1143 K C -0.003 176.489 176.600 -0.181 0.000 1.052 1143 K CA 1.684 57.809 56.287 -0.270 0.000 0.937 1143 K CB 0.014 32.027 32.500 -0.813 0.000 0.719 1143 K HN 0.792 nan 8.250 nan 0.000 0.446 1144 N N -1.745 116.829 118.700 -0.209 0.000 3.521 1144 N HA 0.090 4.830 4.740 -0.001 0.000 0.228 1144 N C -1.234 174.161 175.510 -0.192 0.000 1.328 1144 N CA -0.559 52.396 53.050 -0.158 0.000 0.907 1144 N CB 0.674 39.115 38.487 -0.077 0.000 1.487 1144 N HN -0.154 nan 8.380 nan 0.000 0.503 1145 I N 1.719 122.181 120.570 -0.180 0.000 2.872 1145 I HA -0.074 4.096 4.170 -0.001 0.000 0.291 1145 I C 1.837 177.908 176.117 -0.076 0.000 1.216 1145 I CA 1.416 62.593 61.300 -0.206 0.000 1.424 1145 I CB -0.268 37.621 38.000 -0.185 0.000 1.351 1145 I HN 0.980 nan 8.210 nan 0.000 0.592 1146 T N 1.044 115.590 114.554 -0.014 0.000 11.472 1146 T HA -0.233 4.117 4.350 -0.001 0.000 0.387 1146 T C 0.550 175.330 174.700 0.134 0.000 1.670 1146 T CA 1.029 63.181 62.100 0.087 0.000 2.698 1146 T CB -1.365 67.534 68.868 0.051 0.000 2.581 1146 T HN 0.575 nan 8.240 nan 0.000 0.809 1147 D N 1.555 121.990 120.400 0.058 0.000 2.348 1147 D HA 0.529 5.169 4.640 -0.001 0.000 0.272 1147 D C 0.704 177.052 176.300 0.080 0.000 1.237 1147 D CA 0.287 54.335 54.000 0.080 0.000 1.042 1147 D CB 0.208 40.989 40.800 -0.031 0.000 1.117 1147 D HN 0.737 nan 8.370 nan 0.000 0.548 1148 Y N -1.241 119.093 120.300 0.057 0.000 2.480 1148 Y HA 0.603 5.153 4.550 -0.001 0.000 0.323 1148 Y C -0.156 175.837 175.900 0.155 0.000 1.267 1148 Y CA -1.016 57.139 58.100 0.092 0.000 1.336 1148 Y CB 0.512 39.025 38.460 0.088 0.000 1.361 1148 Y HN 0.070 nan 8.280 nan 0.000 0.518 1149 M N 2.171 121.991 119.600 0.367 0.000 2.528 1149 M HA 0.489 4.968 4.480 -0.001 0.000 0.321 1149 M C -1.726 174.882 176.300 0.513 0.000 1.153 1149 M CA -0.869 54.617 55.300 0.310 0.000 0.951 1149 M CB 2.307 35.032 32.600 0.209 0.000 1.705 1149 M HN 0.823 nan 8.290 nan 0.000 0.451 1150 Y N -0.604 119.813 120.300 0.194 0.000 2.609 1150 Y HA 0.704 5.254 4.550 -0.001 0.000 0.336 1150 Y C -1.753 174.250 175.900 0.171 0.000 1.129 1150 Y CA -1.691 56.542 58.100 0.222 0.000 1.040 1150 Y CB 0.654 39.265 38.460 0.252 0.000 1.310 1150 Y HN 0.572 nan 8.280 nan 0.000 0.460 1151 L N 2.781 124.127 121.223 0.205 0.000 2.439 1151 L HA 0.632 4.972 4.340 -0.001 0.000 0.269 1151 L C 0.444 177.336 176.870 0.036 0.000 1.179 1151 L CA -0.027 54.863 54.840 0.084 0.000 0.828 1151 L CB 1.157 43.287 42.059 0.117 0.000 1.106 1151 L HN 1.000 nan 8.230 nan 0.000 0.467 1152 T N -1.648 112.895 114.554 -0.019 0.000 2.883 1152 T HA 0.358 4.708 4.350 -0.001 0.000 0.301 1152 T C -0.474 174.228 174.700 0.003 0.000 1.158 1152 T CA -1.089 61.012 62.100 0.002 0.000 1.007 1152 T CB 1.613 70.471 68.868 -0.017 0.000 1.186 1152 T HN 0.372 nan 8.240 nan 0.000 0.499 1153 N N 1.197 119.906 118.700 0.016 0.000 2.497 1153 N HA 0.487 5.227 4.740 -0.001 0.000 0.271 1153 N C -0.127 175.381 175.510 -0.004 0.000 1.142 1153 N CA -0.125 52.928 53.050 0.005 0.000 0.965 1153 N CB 1.312 39.808 38.487 0.016 0.000 1.077 1153 N HN 0.950 nan 8.380 nan 0.000 0.462 1154 A N 4.088 126.895 122.820 -0.021 0.000 2.320 1154 A HA 0.405 4.724 4.320 -0.001 0.000 0.287 1154 A C -1.745 175.840 177.584 0.002 0.000 1.181 1154 A CA -1.130 50.892 52.037 -0.025 0.000 0.831 1154 A CB -0.016 18.942 19.000 -0.070 0.000 1.102 1154 A HN 0.467 nan 8.150 nan 0.000 0.513 1155 P HA 0.126 nan 4.420 nan 0.000 0.271 1155 P C -0.031 177.307 177.300 0.063 0.000 1.238 1155 P CA 0.038 63.162 63.100 0.040 0.000 0.794 1155 P CB 0.572 32.301 31.700 0.048 0.000 0.959 1156 S N -0.022 115.717 115.700 0.064 0.000 2.537 1156 S HA 0.546 5.016 4.470 -0.001 0.000 0.301 1156 S C -1.423 173.235 174.600 0.096 0.000 1.092 1156 S CA -0.580 57.660 58.200 0.066 0.000 1.048 1156 S CB 1.118 64.329 63.200 0.018 0.000 1.053 1156 S HN 0.455 nan 8.310 nan 0.000 0.501 1157 Y N 2.110 122.342 120.300 -0.113 0.000 2.331 1157 Y HA 0.555 5.105 4.550 -0.001 0.000 0.326 1157 Y C -0.591 175.156 175.900 -0.254 0.000 1.020 1157 Y CA -0.236 57.722 58.100 -0.237 0.000 1.136 1157 Y CB 1.735 39.871 38.460 -0.539 0.000 1.157 1157 Y HN 1.086 nan 8.280 nan 0.000 0.444 1158 T N 2.341 116.308 114.554 -0.977 0.000 2.903 1158 T HA 0.468 4.817 4.350 -0.001 0.000 0.299 1158 T C -1.429 172.754 174.700 -0.862 0.000 1.093 1158 T CA -1.013 60.647 62.100 -0.734 0.000 1.002 1158 T CB 2.028 70.690 68.868 -0.343 0.000 1.127 1158 T HN 0.536 nan 8.240 nan 0.000 0.488 1159 N N 0.267 118.691 118.700 -0.460 0.000 2.621 1159 N HA 0.299 5.039 4.740 -0.001 0.000 0.271 1159 N C 1.152 176.598 175.510 -0.106 0.000 1.181 1159 N CA -0.104 52.790 53.050 -0.260 0.000 0.805 1159 N CB 1.563 39.976 38.487 -0.123 0.000 1.351 1159 N HN 0.926 nan 8.380 nan 0.000 0.539 1160 G N 2.403 111.139 108.800 -0.107 0.000 2.511 1160 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.216 1160 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.216 1160 G C 1.269 176.151 174.900 -0.030 0.000 1.218 1160 G CA 0.782 45.842 45.100 -0.067 0.000 0.788 1160 G HN 0.589 nan 8.290 nan 0.000 0.560 1161 K N -0.067 120.318 120.400 -0.024 0.000 2.107 1161 K HA -0.129 4.190 4.320 -0.001 0.000 0.211 1161 K C 2.334 178.942 176.600 0.013 0.000 1.049 1161 K CA 1.578 57.863 56.287 -0.004 0.000 0.927 1161 K CB -0.275 32.226 32.500 0.001 0.000 0.714 1161 K HN 0.397 nan 8.250 nan 0.000 0.452 1162 L N -0.365 120.873 121.223 0.026 0.000 2.585 1162 L HA 0.102 4.442 4.340 -0.001 0.000 0.226 1162 L C 0.408 177.311 176.870 0.055 0.000 1.113 1162 L CA -0.140 54.728 54.840 0.047 0.000 0.876 1162 L CB -0.203 41.900 42.059 0.073 0.000 1.072 1162 L HN 0.259 nan 8.230 nan 0.000 0.468 1163 N N 1.330 120.059 118.700 0.048 0.000 2.780 1163 N HA -0.201 4.538 4.740 -0.001 0.000 0.247 1163 N C -0.639 174.960 175.510 0.148 0.000 1.076 1163 N CA 0.711 53.808 53.050 0.077 0.000 0.688 1163 N CB -1.105 37.420 38.487 0.063 0.000 0.957 1163 N HN 0.606 nan 8.380 nan 0.000 0.551 1164 I N -1.881 118.785 120.570 0.159 0.000 2.619 1164 I HA 0.809 4.978 4.170 -0.001 0.000 0.292 1164 I C -0.602 175.657 176.117 0.236 0.000 1.100 1164 I CA -1.067 60.359 61.300 0.209 0.000 1.043 1164 I CB 1.876 39.994 38.000 0.196 0.000 1.239 1164 I HN 0.087 nan 8.210 nan 0.000 0.420 1165 Y N 3.787 124.124 120.300 0.062 0.000 2.670 1165 Y HA 0.882 5.431 4.550 -0.001 0.000 0.334 1165 Y C -1.794 174.192 175.900 0.143 0.000 1.185 1165 Y CA -1.701 56.355 58.100 -0.073 0.000 1.053 1165 Y CB 1.134 39.547 38.460 -0.078 0.000 1.298 1165 Y HN 0.812 nan 8.280 nan 0.000 0.459 1166 Y N -1.491 118.945 120.300 0.227 0.000 2.661 1166 Y HA 0.593 5.143 4.550 -0.001 0.000 0.339 1166 Y C -1.179 174.865 175.900 0.240 0.000 1.186 1166 Y CA -2.243 55.974 58.100 0.195 0.000 1.137 1166 Y CB 0.532 39.198 38.460 0.342 0.000 1.354 1166 Y HN 0.820 nan 8.280 nan 0.000 0.469 1167 R N 0.929 121.623 120.500 0.323 0.000 2.643 1167 R HA 0.533 4.873 4.340 -0.001 0.000 0.270 1167 R C -0.823 175.682 176.300 0.341 0.000 1.061 1167 R CA -0.644 55.563 56.100 0.178 0.000 1.107 1167 R CB 0.465 30.727 30.300 -0.064 0.000 0.999 1167 R HN 0.721 nan 8.270 nan 0.000 0.460 1168 R N 2.004 122.658 120.500 0.257 0.000 2.441 1168 R HA 0.265 4.604 4.340 -0.001 0.000 0.284 1168 R C -0.014 176.311 176.300 0.040 0.000 1.070 1168 R CA -0.472 55.808 56.100 0.300 0.000 1.047 1168 R CB 0.457 30.881 30.300 0.207 0.000 1.016 1168 R HN 0.433 nan 8.270 nan 0.000 0.477 1169 L N 2.110 123.268 121.223 -0.109 0.000 2.567 1169 L HA 0.230 4.570 4.340 -0.001 0.000 0.238 1169 L C 0.110 176.626 176.870 -0.590 0.000 1.168 1169 L CA -0.742 53.748 54.840 -0.583 0.000 0.817 1169 L CB 0.104 41.411 42.059 -1.254 0.000 1.409 1169 L HN 0.702 nan 8.230 nan 0.000 0.502 1170 Y N -1.766 118.245 120.300 -0.482 0.000 4.604 1170 Y HA -0.276 4.274 4.550 -0.001 0.000 0.230 1170 Y C 0.233 175.630 175.900 -0.838 0.000 1.066 1170 Y CA -0.069 57.424 58.100 -1.011 0.000 1.990 1170 Y CB -2.870 35.323 38.460 -0.445 0.000 1.619 1170 Y HN 0.575 nan 8.280 nan 0.000 0.649 1171 N N 0.603 119.089 118.700 -0.356 0.000 2.477 1171 N HA 0.641 5.381 4.740 -0.001 0.000 0.284 1171 N C 0.859 176.351 175.510 -0.029 0.000 1.182 1171 N CA 0.324 53.303 53.050 -0.119 0.000 0.949 1171 N CB 2.183 40.658 38.487 -0.020 0.000 1.204 1171 N HN 0.462 nan 8.380 nan 0.000 0.526 1172 G N -0.149 108.723 108.800 0.119 0.000 2.447 1172 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.220 1172 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.220 1172 G C -1.025 174.048 174.900 0.288 0.000 1.261 1172 G CA -0.873 44.334 45.100 0.178 0.000 1.000 1172 G HN 0.397 nan 8.290 nan 0.000 0.515 1173 L N 0.744 122.098 121.223 0.219 0.000 2.371 1173 L HA 0.400 4.739 4.340 -0.001 0.000 0.272 1173 L C 0.926 177.822 176.870 0.044 0.000 1.124 1173 L CA -0.352 54.520 54.840 0.053 0.000 0.816 1173 L CB 0.897 42.860 42.059 -0.159 0.000 1.129 1173 L HN 0.459 nan 8.230 nan 0.000 0.448 1174 K N 2.945 123.246 120.400 -0.165 0.000 2.172 1174 K HA 0.518 4.838 4.320 -0.001 0.000 0.276 1174 K C -1.236 175.238 176.600 -0.209 0.000 1.013 1174 K CA -0.281 55.840 56.287 -0.275 0.000 0.913 1174 K CB 1.187 33.547 32.500 -0.233 0.000 1.055 1174 K HN 0.195 nan 8.250 nan 0.000 0.461 1175 F N 2.059 122.005 119.950 -0.007 0.000 2.576 1175 F HA 0.521 5.048 4.527 -0.001 0.000 0.313 1175 F C -0.087 175.832 175.800 0.198 0.000 1.078 1175 F CA -0.831 57.238 58.000 0.115 0.000 0.921 1175 F CB 1.460 40.528 39.000 0.113 0.000 1.232 1175 F HN 0.216 nan 8.300 nan 0.000 0.459 1176 I N 3.621 124.444 120.570 0.422 0.000 2.533 1176 I HA 0.406 4.576 4.170 -0.001 0.000 0.290 1176 I C -0.951 175.401 176.117 0.391 0.000 1.056 1176 I CA -0.616 60.886 61.300 0.337 0.000 1.057 1176 I CB 2.082 40.202 38.000 0.200 0.000 1.240 1176 I HN 0.352 nan 8.210 nan 0.000 0.423 1177 I N 5.767 126.538 120.570 0.334 0.000 2.315 1177 I HA 0.341 4.510 4.170 -0.001 0.000 0.291 1177 I C -0.108 176.254 176.117 0.407 0.000 1.006 1177 I CA -0.633 60.847 61.300 0.300 0.000 1.265 1177 I CB 0.998 39.032 38.000 0.058 0.000 1.387 1177 I HN 0.468 nan 8.210 nan 0.000 0.475 1178 K N 5.389 126.071 120.400 0.470 0.000 2.139 1178 K HA 0.551 4.870 4.320 -0.001 0.000 0.243 1178 K C -0.452 176.405 176.600 0.428 0.000 0.983 1178 K CA -0.759 55.784 56.287 0.428 0.000 0.890 1178 K CB 1.359 34.072 32.500 0.355 0.000 1.090 1178 K HN 0.429 nan 8.250 nan 0.000 0.445 1179 R N 1.110 121.684 120.500 0.123 0.000 2.390 1179 R HA 0.100 4.440 4.340 -0.001 0.000 0.291 1179 R C 0.275 176.659 176.300 0.139 0.000 1.070 1179 R CA -0.199 55.889 56.100 -0.019 0.000 1.014 1179 R CB 0.268 30.378 30.300 -0.316 0.000 1.007 1179 R HN 0.605 nan 8.270 nan 0.000 0.466 1180 Y N 1.499 121.856 120.300 0.094 0.000 2.269 1180 Y HA -0.033 4.516 4.550 -0.001 0.000 0.294 1180 Y C 0.680 176.601 175.900 0.034 0.000 1.120 1180 Y CA 1.151 59.308 58.100 0.095 0.000 1.159 1180 Y CB 0.646 39.192 38.460 0.144 0.000 1.024 1180 Y HN 0.634 nan 8.280 nan 0.000 0.532 1181 T N -1.769 112.877 114.554 0.152 0.000 2.870 1181 T HA 0.331 4.680 4.350 -0.001 0.000 0.277 1181 T C -2.083 172.603 174.700 -0.024 0.000 1.000 1181 T CA -1.617 60.504 62.100 0.036 0.000 0.982 1181 T CB 1.383 70.285 68.868 0.057 0.000 1.249 1181 T HN -0.150 nan 8.240 nan 0.000 0.589 1182 P HA 0.166 nan 4.420 nan 0.000 0.244 1182 P C 0.217 177.465 177.300 -0.086 0.000 1.191 1182 P CA 0.215 63.268 63.100 -0.078 0.000 0.829 1182 P CB 0.147 31.811 31.700 -0.060 0.000 1.008 1183 N N 0.840 119.512 118.700 -0.046 0.000 3.245 1183 N HA 0.072 4.811 4.740 -0.001 0.000 0.296 1183 N C 0.166 175.667 175.510 -0.015 0.000 1.254 1183 N CA -0.057 52.979 53.050 -0.023 0.000 1.190 1183 N CB -0.100 38.386 38.487 -0.002 0.000 1.460 1183 N HN -0.015 nan 8.380 nan 0.000 0.538 1184 N N 0.504 119.181 118.700 -0.037 0.000 2.919 1184 N HA 0.208 4.948 4.740 -0.001 0.000 0.263 1184 N C -0.430 175.063 175.510 -0.028 0.000 0.913 1184 N CA 0.499 53.536 53.050 -0.022 0.000 1.085 1184 N CB 1.234 39.707 38.487 -0.022 0.000 1.553 1184 N HN 0.347 nan 8.380 nan 0.000 0.932 1185 E N -0.732 119.434 120.200 -0.058 0.000 2.238 1185 E HA 0.272 4.622 4.350 -0.001 0.000 0.252 1185 E C -1.535 175.020 176.600 -0.075 0.000 1.317 1185 E CA -0.643 55.727 56.400 -0.049 0.000 0.921 1185 E CB 1.233 30.922 29.700 -0.019 0.000 1.626 1185 E HN -0.119 nan 8.360 nan 0.000 0.488 1186 I N 2.608 123.144 120.570 -0.057 0.000 2.329 1186 I HA 0.106 4.276 4.170 -0.001 0.000 0.295 1186 I C -0.858 175.214 176.117 -0.075 0.000 1.109 1186 I CA 0.427 61.683 61.300 -0.073 0.000 1.297 1186 I CB -0.205 37.763 38.000 -0.053 0.000 1.433 1186 I HN 0.211 nan 8.210 nan 0.000 0.509 1187 D N 3.666 123.965 120.400 -0.169 0.000 2.274 1187 D HA 0.230 4.869 4.640 -0.001 0.000 0.239 1187 D C 1.087 177.240 176.300 -0.245 0.000 1.104 1187 D CA 0.017 53.795 54.000 -0.369 0.000 0.840 1187 D CB 1.541 41.951 40.800 -0.649 0.000 1.100 1187 D HN 0.506 nan 8.370 nan 0.000 0.477 1188 S N 2.018 117.669 115.700 -0.081 0.000 2.458 1188 S HA 0.000 4.470 4.470 -0.001 0.000 0.223 1188 S C 0.855 175.588 174.600 0.223 0.000 1.019 1188 S CA -0.136 58.140 58.200 0.126 0.000 0.937 1188 S CB -0.376 62.920 63.200 0.160 0.000 0.788 1188 S HN 0.447 nan 8.310 nan 0.000 0.511 1189 F N 2.044 122.102 119.950 0.180 0.000 2.399 1189 F HA 0.737 5.263 4.527 -0.001 0.000 0.342 1189 F C -0.212 175.684 175.800 0.160 0.000 1.106 1189 F CA -1.807 56.266 58.000 0.121 0.000 1.196 1189 F CB 0.296 39.340 39.000 0.075 0.000 1.163 1189 F HN -0.209 nan 8.300 nan 0.000 0.547 1190 V N 3.231 123.170 119.914 0.043 0.000 2.775 1190 V HA 0.230 4.349 4.120 -0.001 0.000 0.299 1190 V C 0.195 176.385 176.094 0.159 0.000 1.062 1190 V CA -0.833 61.403 62.300 -0.107 0.000 1.063 1190 V CB 1.005 32.548 31.823 -0.467 0.000 0.994 1190 V HN 0.768 nan 8.190 nan 0.000 0.483 1191 K N 1.948 122.433 120.400 0.141 0.000 2.259 1191 K HA 0.438 4.758 4.320 -0.001 0.000 0.252 1191 K C -0.033 176.563 176.600 -0.007 0.000 0.936 1191 K CA -0.426 55.932 56.287 0.117 0.000 0.810 1191 K CB 1.901 34.477 32.500 0.127 0.000 1.143 1191 K HN 0.843 nan 8.250 nan 0.000 0.427 1192 S N 0.461 116.125 115.700 -0.060 0.000 2.544 1192 S HA 0.210 4.679 4.470 -0.001 0.000 0.290 1192 S C 1.069 175.614 174.600 -0.091 0.000 1.276 1192 S CA 0.481 58.633 58.200 -0.080 0.000 1.075 1192 S CB 0.350 63.501 63.200 -0.082 0.000 0.849 1192 S HN 0.956 nan 8.310 nan 0.000 0.494 1193 G N 2.246 110.967 108.800 -0.132 0.000 2.213 1193 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.236 1193 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.236 1193 G C -0.291 174.427 174.900 -0.302 0.000 0.991 1193 G CA -0.048 44.923 45.100 -0.215 0.000 0.629 1193 G HN 0.756 nan 8.290 nan 0.000 0.517 1194 D N 0.296 120.618 120.400 -0.130 0.000 2.400 1194 D HA 0.445 5.084 4.640 -0.001 0.000 0.238 1194 D C 0.350 176.565 176.300 -0.143 0.000 1.157 1194 D CA 0.378 54.373 54.000 -0.009 0.000 0.889 1194 D CB 0.281 41.182 40.800 0.168 0.000 1.199 1194 D HN 0.121 nan 8.370 nan 0.000 0.436 1195 F N 1.079 121.079 119.950 0.083 0.000 2.404 1195 F HA 0.427 4.953 4.527 -0.001 0.000 0.339 1195 F C 0.907 176.794 175.800 0.145 0.000 1.105 1195 F CA -0.649 57.370 58.000 0.032 0.000 1.087 1195 F CB 0.768 39.713 39.000 -0.092 0.000 1.143 1195 F HN 0.161 nan 8.300 nan 0.000 0.491 1196 I N -0.871 119.868 120.570 0.283 0.000 3.354 1196 I HA 0.635 4.804 4.170 -0.001 0.000 0.316 1196 I C -1.759 174.552 176.117 0.324 0.000 1.182 1196 I CA -1.205 60.302 61.300 0.346 0.000 0.942 1196 I CB 2.784 40.956 38.000 0.287 0.000 1.299 1196 I HN 0.363 nan 8.210 nan 0.000 0.473 1197 K N 1.751 122.356 120.400 0.342 0.000 2.378 1197 K HA 0.594 4.914 4.320 -0.001 0.000 0.252 1197 K C -1.680 175.028 176.600 0.179 0.000 0.931 1197 K CA -0.739 55.692 56.287 0.240 0.000 0.794 1197 K CB 2.851 35.514 32.500 0.272 0.000 1.181 1197 K HN 0.451 nan 8.250 nan 0.000 0.425 1198 L N 3.122 124.378 121.223 0.056 0.000 2.309 1198 L HA 0.484 4.824 4.340 -0.001 0.000 0.282 1198 L C -1.512 175.388 176.870 0.050 0.000 1.036 1198 L CA -0.178 54.757 54.840 0.160 0.000 0.806 1198 L CB 0.600 42.755 42.059 0.161 0.000 1.220 1198 L HN 0.468 nan 8.230 nan 0.000 0.429 1199 Y N 2.646 123.102 120.300 0.261 0.000 2.576 1199 Y HA 0.665 5.214 4.550 -0.001 0.000 0.346 1199 Y C -0.424 175.556 175.900 0.133 0.000 1.018 1199 Y CA -0.998 57.215 58.100 0.188 0.000 1.050 1199 Y CB 1.983 40.522 38.460 0.131 0.000 1.280 1199 Y HN 0.219 nan 8.280 nan 0.000 0.474 1200 V N 1.053 121.069 119.914 0.171 0.000 2.435 1200 V HA 0.317 4.436 4.120 -0.001 0.000 0.290 1200 V C -0.145 175.997 176.094 0.079 0.000 1.030 1200 V CA -0.631 61.590 62.300 -0.132 0.000 0.881 1200 V CB 1.796 33.447 31.823 -0.287 0.000 0.983 1200 V HN 0.794 nan 8.190 nan 0.000 0.445 1201 S N 4.674 120.383 115.700 0.015 0.000 3.334 1201 S HA 0.310 4.779 4.470 -0.001 0.000 0.188 1201 S C -0.702 173.975 174.600 0.127 0.000 1.404 1201 S CA -0.356 57.889 58.200 0.075 0.000 1.040 1201 S CB -0.591 62.613 63.200 0.006 0.000 1.352 1201 S HN 0.611 nan 8.310 nan 0.000 0.501 1202 Y N 3.752 124.083 120.300 0.052 0.000 2.595 1202 Y HA 0.409 4.959 4.550 -0.001 0.000 0.336 1202 Y C 0.414 176.358 175.900 0.074 0.000 0.996 1202 Y CA -0.291 57.826 58.100 0.028 0.000 1.260 1202 Y CB 0.109 38.544 38.460 -0.041 0.000 1.108 1202 Y HN 0.658 nan 8.280 nan 0.000 0.509 1203 N N 4.346 122.978 118.700 -0.112 0.000 2.929 1203 N HA -0.266 4.474 4.740 -0.001 0.000 0.246 1203 N C 0.052 175.543 175.510 -0.032 0.000 1.111 1203 N CA 1.136 54.102 53.050 -0.140 0.000 0.679 1203 N CB -1.815 36.522 38.487 -0.250 0.000 1.008 1203 N HN 1.047 nan 8.380 nan 0.000 0.559 1204 N N -2.687 116.007 118.700 -0.010 0.000 2.946 1204 N HA -0.287 4.453 4.740 -0.001 0.000 0.223 1204 N C -0.706 174.804 175.510 0.000 0.000 0.850 1204 N CA 1.544 54.590 53.050 -0.007 0.000 1.057 1204 N CB -0.670 37.806 38.487 -0.018 0.000 1.020 1204 N HN 0.573 nan 8.380 nan 0.000 0.616 1205 N N 1.293 120.012 118.700 0.033 0.000 2.408 1205 N HA 0.234 4.974 4.740 -0.001 0.000 0.260 1205 N C -0.524 174.968 175.510 -0.031 0.000 1.242 1205 N CA 0.528 53.570 53.050 -0.014 0.000 0.959 1205 N CB 0.502 38.993 38.487 0.007 0.000 1.201 1205 N HN 0.182 nan 8.380 nan 0.000 0.511 1206 E N -0.079 120.006 120.200 -0.192 0.000 2.224 1206 E HA 0.292 4.641 4.350 -0.001 0.000 0.265 1206 E C -1.200 175.287 176.600 -0.188 0.000 0.878 1206 E CA -0.498 55.848 56.400 -0.091 0.000 0.759 1206 E CB 1.098 30.714 29.700 -0.139 0.000 1.164 1206 E HN 0.481 nan 8.360 nan 0.000 0.414 1207 H N 1.629 120.841 119.070 0.237 0.000 2.589 1207 H HA 0.333 4.889 4.556 -0.001 0.000 0.335 1207 H C -0.375 175.076 175.328 0.205 0.000 1.019 1207 H CA -0.565 55.608 56.048 0.208 0.000 1.213 1207 H CB 1.280 31.104 29.762 0.102 0.000 1.472 1207 H HN 0.402 nan 8.280 nan 0.000 0.508 1208 I N 3.090 123.779 120.570 0.200 0.000 2.696 1208 I HA 0.067 4.237 4.170 -0.001 0.000 0.284 1208 I C -0.374 175.737 176.117 -0.009 0.000 1.129 1208 I CA -0.324 60.877 61.300 -0.166 0.000 1.410 1208 I CB 0.527 38.318 38.000 -0.349 0.000 1.399 1208 I HN 0.311 nan 8.210 nan 0.000 0.579 1209 V N 6.975 126.864 119.914 -0.041 0.000 2.407 1209 V HA 0.711 4.831 4.120 -0.001 0.000 0.278 1209 V C 0.548 176.679 176.094 0.062 0.000 1.037 1209 V CA 0.156 62.494 62.300 0.064 0.000 0.900 1209 V CB 0.571 32.470 31.823 0.126 0.000 0.983 1209 V HN 0.998 nan 8.190 nan 0.000 0.459 1210 G N 3.374 112.231 108.800 0.094 0.000 2.731 1210 G HA2 0.514 4.474 3.960 -0.001 0.000 0.309 1210 G HA3 0.514 4.474 3.960 -0.001 0.000 0.309 1210 G C -2.182 172.814 174.900 0.160 0.000 1.273 1210 G CA -0.481 44.696 45.100 0.127 0.000 0.798 1210 G HN 0.481 nan 8.290 nan 0.000 0.509 1211 Y N 1.571 121.895 120.300 0.041 0.000 2.329 1211 Y HA 0.640 5.189 4.550 -0.001 0.000 0.328 1211 Y C -2.564 173.318 175.900 -0.030 0.000 0.992 1211 Y CA -2.658 55.442 58.100 -0.000 0.000 1.151 1211 Y CB 2.735 41.242 38.460 0.078 0.000 1.150 1211 Y HN 0.344 nan 8.280 nan 0.000 0.450 1212 P HA 0.078 nan 4.420 nan 0.000 0.280 1212 P C -0.763 176.092 177.300 -0.741 0.000 1.244 1212 P CA -0.418 62.238 63.100 -0.741 0.000 0.784 1212 P CB 0.982 31.991 31.700 -1.152 0.000 0.913 1213 K N 3.776 124.012 120.400 -0.273 0.000 2.441 1213 K HA -0.147 4.172 4.320 -0.001 0.000 0.273 1213 K C -0.169 176.399 176.600 -0.053 0.000 1.090 1213 K CA 1.109 57.451 56.287 0.092 0.000 1.158 1213 K CB -0.652 31.940 32.500 0.153 0.000 0.847 1213 K HN 0.499 nan 8.250 nan 0.000 0.483 1214 D N 1.339 121.750 120.400 0.020 0.000 3.068 1214 D HA -0.133 4.506 4.640 -0.001 0.000 0.218 1214 D C 0.325 176.580 176.300 -0.075 0.000 1.145 1214 D CA 1.401 55.418 54.000 0.027 0.000 0.896 1214 D CB -1.409 39.405 40.800 0.024 0.000 1.105 1214 D HN 0.754 nan 8.370 nan 0.000 0.423 1215 G N 0.384 108.993 108.800 -0.319 0.000 2.507 1215 G HA2 0.279 4.238 3.960 -0.001 0.000 0.271 1215 G HA3 0.279 4.238 3.960 -0.001 0.000 0.271 1215 G C 0.214 175.108 174.900 -0.009 0.000 1.189 1215 G CA -0.340 44.564 45.100 -0.326 0.000 0.859 1215 G HN 0.266 nan 8.290 nan 0.000 0.542 1216 N N 0.015 118.686 118.700 -0.049 0.000 2.217 1216 N HA 0.236 4.976 4.740 -0.001 0.000 0.268 1216 N C 0.201 175.666 175.510 -0.075 0.000 1.290 1216 N CA 0.514 53.513 53.050 -0.084 0.000 0.831 1216 N CB 0.164 38.555 38.487 -0.160 0.000 1.057 1216 N HN 0.697 nan 8.380 nan 0.000 0.481 1217 A N 3.177 125.895 122.820 -0.170 0.000 2.566 1217 A HA 0.612 4.932 4.320 -0.001 0.000 0.292 1217 A C -1.340 176.016 177.584 -0.379 0.000 1.112 1217 A CA -0.674 51.218 52.037 -0.242 0.000 0.707 1217 A CB 0.715 19.656 19.000 -0.098 0.000 1.302 1217 A HN 0.551 nan 8.150 nan 0.000 0.409 1218 F N 1.482 121.312 119.950 -0.201 0.000 2.384 1218 F HA 0.260 4.787 4.527 -0.001 0.000 0.338 1218 F C 1.844 177.561 175.800 -0.139 0.000 1.103 1218 F CA 0.162 58.013 58.000 -0.249 0.000 1.157 1218 F CB 0.770 39.435 39.000 -0.559 0.000 1.167 1218 F HN 0.861 nan 8.300 nan 0.000 0.529 1219 N N 2.976 121.731 118.700 0.093 0.000 1.970 1219 N HA -0.392 4.347 4.740 -0.001 0.000 0.150 1219 N C 1.433 176.967 175.510 0.040 0.000 0.677 1219 N CA 2.631 55.713 53.050 0.053 0.000 0.844 1219 N CB -0.787 37.736 38.487 0.060 0.000 0.892 1219 N HN 0.759 nan 8.380 nan 0.000 1.171 1220 N N 1.075 119.804 118.700 0.048 0.000 2.586 1220 N HA -0.180 4.560 4.740 -0.001 0.000 0.191 1220 N C 0.215 175.739 175.510 0.024 0.000 1.085 1220 N CA 1.262 54.328 53.050 0.027 0.000 0.921 1220 N CB -0.179 38.308 38.487 0.000 0.000 0.954 1220 N HN 0.613 nan 8.380 nan 0.000 0.448 1221 L N -0.472 120.761 121.223 0.018 0.000 3.458 1221 L HA -0.114 4.226 4.340 -0.001 0.000 0.458 1221 L C -1.338 175.518 176.870 -0.024 0.000 1.273 1221 L CA 0.042 54.875 54.840 -0.011 0.000 0.858 1221 L CB -1.948 40.103 42.059 -0.013 0.000 1.910 1221 L HN -0.018 nan 8.230 nan 0.000 0.733 1222 D N 2.011 122.418 120.400 0.012 0.000 2.336 1222 D HA 0.244 4.884 4.640 -0.001 0.000 0.249 1222 D C 0.598 176.863 176.300 -0.058 0.000 1.213 1222 D CA -0.264 53.754 54.000 0.030 0.000 0.870 1222 D CB 0.664 41.538 40.800 0.123 0.000 1.076 1222 D HN 0.003 nan 8.370 nan 0.000 0.483 1223 R N 2.965 123.349 120.500 -0.194 0.000 2.351 1223 R HA 0.214 4.553 4.340 -0.001 0.000 0.318 1223 R C 0.215 176.424 176.300 -0.151 0.000 1.055 1223 R CA -0.369 55.473 56.100 -0.431 0.000 0.968 1223 R CB -0.202 29.484 30.300 -1.023 0.000 0.974 1223 R HN 0.448 nan 8.270 nan 0.000 0.439 1224 I N 4.059 124.621 120.570 -0.013 0.000 2.556 1224 I HA -0.019 4.150 4.170 -0.001 0.000 0.284 1224 I C 0.804 177.043 176.117 0.204 0.000 1.114 1224 I CA 0.149 61.495 61.300 0.076 0.000 1.418 1224 I CB 0.435 38.410 38.000 -0.042 0.000 1.394 1224 I HN 0.223 nan 8.210 nan 0.000 0.552 1225 L N 7.174 128.508 121.223 0.184 0.000 2.380 1225 L HA 0.347 4.687 4.340 -0.001 0.000 0.273 1225 L C 0.233 177.207 176.870 0.173 0.000 1.138 1225 L CA -0.504 54.447 54.840 0.185 0.000 0.832 1225 L CB 0.208 42.362 42.059 0.157 0.000 1.124 1225 L HN 0.518 nan 8.230 nan 0.000 0.454 1226 R N 2.286 122.862 120.500 0.126 0.000 2.664 1226 R HA 0.592 4.931 4.340 -0.001 0.000 0.286 1226 R C -0.988 175.381 176.300 0.115 0.000 0.967 1226 R CA -0.867 55.299 56.100 0.109 0.000 0.933 1226 R CB 2.208 32.519 30.300 0.018 0.000 1.146 1226 R HN 0.272 nan 8.270 nan 0.000 0.468 1227 V N 1.245 121.216 119.914 0.095 0.000 2.384 1227 V HA 0.362 4.481 4.120 -0.001 0.000 0.287 1227 V C 1.013 177.157 176.094 0.083 0.000 1.020 1227 V CA 0.207 62.544 62.300 0.061 0.000 0.850 1227 V CB 1.361 33.153 31.823 -0.051 0.000 0.987 1227 V HN 1.030 nan 8.190 nan 0.000 0.436 1228 G N 4.268 113.168 108.800 0.168 0.000 2.168 1228 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.257 1228 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.257 1228 G C 0.062 175.072 174.900 0.185 0.000 0.997 1228 G CA 0.508 45.746 45.100 0.230 0.000 0.708 1228 G HN 0.906 nan 8.290 nan 0.000 0.520 1229 Y N 1.613 121.941 120.300 0.046 0.000 2.717 1229 Y HA 0.320 4.869 4.550 -0.001 0.000 0.330 1229 Y C 1.052 176.960 175.900 0.015 0.000 1.217 1229 Y CA 0.916 59.027 58.100 0.018 0.000 1.506 1229 Y CB 0.618 39.075 38.460 -0.005 0.000 1.268 1229 Y HN 0.358 nan 8.280 nan 0.000 0.561 1230 N N 3.487 121.917 118.700 -0.451 0.000 2.545 1230 N HA 0.179 4.919 4.740 -0.001 0.000 0.283 1230 N C -1.228 174.064 175.510 -0.364 0.000 1.596 1230 N CA -0.077 52.810 53.050 -0.271 0.000 0.862 1230 N CB -0.296 38.126 38.487 -0.109 0.000 1.422 1230 N HN 0.569 nan 8.380 nan 0.000 0.489 1231 A N 1.900 124.323 122.820 -0.662 0.000 2.492 1231 A HA 0.412 4.732 4.320 -0.001 0.000 0.254 1231 A C -1.873 175.607 177.584 -0.174 0.000 1.091 1231 A CA -0.684 51.124 52.037 -0.382 0.000 0.768 1231 A CB -0.235 18.553 19.000 -0.353 0.000 1.028 1231 A HN 0.328 nan 8.150 nan 0.000 0.498 1232 P HA 0.208 nan 4.420 nan 0.000 0.268 1232 P C 0.950 178.227 177.300 -0.038 0.000 1.205 1232 P CA 1.291 64.354 63.100 -0.061 0.000 0.771 1232 P CB 0.838 32.509 31.700 -0.048 0.000 0.858 1233 G N 2.243 111.029 108.800 -0.023 0.000 2.205 1233 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.261 1233 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.261 1233 G C 0.059 174.958 174.900 -0.000 0.000 0.980 1233 G CA 0.001 45.095 45.100 -0.010 0.000 0.632 1233 G HN 0.544 nan 8.290 nan 0.000 0.533 1234 I N 2.848 123.425 120.570 0.012 0.000 2.362 1234 I HA 0.358 4.527 4.170 -0.001 0.000 0.289 1234 I C -1.794 174.318 176.117 -0.009 0.000 0.994 1234 I CA -2.356 58.961 61.300 0.027 0.000 1.158 1234 I CB 1.881 39.950 38.000 0.114 0.000 1.315 1234 I HN -0.092 nan 8.210 nan 0.000 0.451 1235 P HA 0.158 nan 4.420 nan 0.000 0.272 1235 P C -1.041 176.045 177.300 -0.358 0.000 1.223 1235 P CA -0.441 62.528 63.100 -0.218 0.000 0.784 1235 P CB 1.233 32.781 31.700 -0.253 0.000 0.923 1236 L N 3.247 124.249 121.223 -0.369 0.000 2.342 1236 L HA 0.377 4.717 4.340 -0.001 0.000 0.276 1236 L C -1.169 175.513 176.870 -0.314 0.000 0.997 1236 L CA -1.245 53.427 54.840 -0.280 0.000 0.838 1236 L CB -0.061 41.979 42.059 -0.032 0.000 1.224 1236 L HN 0.190 nan 8.230 nan 0.000 0.416 1237 Y N 5.455 125.804 120.300 0.082 0.000 2.359 1237 Y HA 0.424 4.973 4.550 -0.001 0.000 0.330 1237 Y C 1.223 177.202 175.900 0.132 0.000 1.143 1237 Y CA -0.069 58.112 58.100 0.134 0.000 1.318 1237 Y CB 0.856 39.424 38.460 0.179 0.000 1.234 1237 Y HN 0.581 nan 8.280 nan 0.000 0.522 1238 K N 1.688 122.249 120.400 0.269 0.000 2.612 1238 K HA 0.041 4.360 4.320 -0.001 0.000 0.199 1238 K C -0.551 176.155 176.600 0.177 0.000 1.520 1238 K CA -0.196 56.203 56.287 0.185 0.000 1.039 1238 K CB -0.086 32.488 32.500 0.123 0.000 1.286 1238 K HN 0.629 nan 8.250 nan 0.000 0.622 1239 K N 2.130 122.625 120.400 0.158 0.000 2.368 1239 K HA 0.271 4.591 4.320 -0.001 0.000 0.282 1239 K C -0.579 176.105 176.600 0.140 0.000 1.035 1239 K CA -0.009 56.256 56.287 -0.037 0.000 0.973 1239 K CB 0.477 32.735 32.500 -0.403 0.000 0.957 1239 K HN 0.134 nan 8.250 nan 0.000 0.474 1240 M N 2.565 122.249 119.600 0.140 0.000 2.716 1240 M HA 0.291 4.770 4.480 -0.001 0.000 0.307 1240 M C -0.844 175.553 176.300 0.163 0.000 1.223 1240 M CA -0.828 54.593 55.300 0.202 0.000 0.871 1240 M CB 2.213 34.887 32.600 0.123 0.000 1.739 1240 M HN 0.622 nan 8.290 nan 0.000 0.475 1241 E N 0.951 121.216 120.200 0.110 0.000 2.187 1241 E HA 0.656 5.006 4.350 -0.001 0.000 0.268 1241 E C -1.606 174.937 176.600 -0.095 0.000 0.896 1241 E CA -0.662 55.644 56.400 -0.156 0.000 0.766 1241 E CB 1.813 31.339 29.700 -0.290 0.000 1.142 1241 E HN 0.767 nan 8.360 nan 0.000 0.408 1242 A N 3.902 126.647 122.820 -0.125 0.000 2.276 1242 A HA 0.553 4.872 4.320 -0.001 0.000 0.300 1242 A C -0.362 177.167 177.584 -0.092 0.000 1.235 1242 A CA -0.450 51.531 52.037 -0.092 0.000 0.867 1242 A CB 0.434 19.357 19.000 -0.128 0.000 1.137 1242 A HN 0.499 nan 8.150 nan 0.000 0.527 1243 V N -0.438 119.444 119.914 -0.053 0.000 3.078 1243 V HA 0.881 5.000 4.120 -0.001 0.000 0.311 1243 V C -0.872 175.212 176.094 -0.018 0.000 1.138 1243 V CA -1.150 61.127 62.300 -0.037 0.000 1.007 1243 V CB 2.100 33.916 31.823 -0.011 0.000 1.045 1243 V HN 0.659 nan 8.190 nan 0.000 0.432 1244 K N 2.239 122.628 120.400 -0.018 0.000 2.521 1244 K HA 0.662 4.982 4.320 -0.001 0.000 0.248 1244 K C -0.458 176.138 176.600 -0.008 0.000 0.978 1244 K CA -0.597 55.684 56.287 -0.009 0.000 0.947 1244 K CB 1.042 33.535 32.500 -0.011 0.000 1.165 1244 K HN 0.667 nan 8.250 nan 0.000 0.445 1245 L N 2.935 124.155 121.223 -0.005 0.000 2.575 1245 L HA 0.347 4.686 4.340 -0.001 0.000 0.228 1245 L C 0.152 177.019 176.870 -0.006 0.000 1.075 1245 L CA 0.902 55.745 54.840 0.006 0.000 0.867 1245 L CB -0.233 41.840 42.059 0.022 0.000 1.097 1245 L HN 0.643 nan 8.230 nan 0.000 0.485 1246 R N -2.442 118.047 120.500 -0.018 0.000 2.799 1246 R HA 0.428 4.768 4.340 -0.001 0.000 0.270 1246 R C -1.096 175.190 176.300 -0.023 0.000 1.010 1246 R CA -0.868 55.218 56.100 -0.024 0.000 0.916 1246 R CB 0.823 31.102 30.300 -0.036 0.000 1.228 1246 R HN -0.183 nan 8.270 nan 0.000 0.469 1247 D N 0.444 120.831 120.400 -0.021 0.000 3.187 1247 D HA -0.127 4.512 4.640 -0.001 0.000 0.244 1247 D C 0.173 176.469 176.300 -0.007 0.000 1.114 1247 D CA 0.262 54.252 54.000 -0.017 0.000 0.920 1247 D CB -0.130 40.651 40.800 -0.031 0.000 0.970 1247 D HN 0.645 nan 8.370 nan 0.000 0.418 1248 L N 1.467 122.685 121.223 -0.009 0.000 2.349 1248 L HA -0.108 4.232 4.340 -0.001 0.000 0.220 1248 L C 2.011 178.881 176.870 -0.001 0.000 1.130 1248 L CA 1.789 56.624 54.840 -0.008 0.000 0.791 1248 L CB 0.054 42.092 42.059 -0.034 0.000 0.918 1248 L HN 0.335 nan 8.230 nan 0.000 0.444 1249 K N -2.632 117.762 120.400 -0.010 0.000 2.360 1249 K HA 0.218 4.538 4.320 -0.001 0.000 0.196 1249 K C 0.423 176.935 176.600 -0.146 0.000 1.049 1249 K CA 0.046 56.323 56.287 -0.017 0.000 1.049 1249 K CB 0.255 32.791 32.500 0.061 0.000 0.881 1249 K HN 0.100 nan 8.250 nan 0.000 0.542 1250 T N 1.103 115.602 114.554 -0.090 0.000 2.909 1250 T HA 0.196 4.546 4.350 -0.001 0.000 0.286 1250 T C -0.571 174.148 174.700 0.031 0.000 1.002 1250 T CA -0.414 61.613 62.100 -0.122 0.000 1.074 1250 T CB 0.463 69.319 68.868 -0.020 0.000 0.984 1250 T HN 0.001 nan 8.240 nan 0.000 0.495 1251 Y N 2.686 123.090 120.300 0.174 0.000 2.830 1251 Y HA 0.347 4.897 4.550 -0.001 0.000 0.371 1251 Y C 1.233 177.284 175.900 0.251 0.000 1.246 1251 Y CA -1.241 56.960 58.100 0.167 0.000 1.890 1251 Y CB -1.202 37.315 38.460 0.094 0.000 1.995 1251 Y HN 0.538 nan 8.280 nan 0.000 0.430 1252 S N -0.942 114.903 115.700 0.242 0.000 2.599 1252 S HA 0.927 5.396 4.470 -0.001 0.000 0.294 1252 S C -0.645 174.037 174.600 0.137 0.000 1.094 1252 S CA -0.783 57.503 58.200 0.143 0.000 0.931 1252 S CB 2.211 65.335 63.200 -0.126 0.000 1.093 1252 S HN -0.024 nan 8.310 nan 0.000 0.488 1253 V N 0.772 120.802 119.914 0.194 0.000 3.103 1253 V HA 0.661 4.780 4.120 -0.001 0.000 0.318 1253 V C -0.853 175.336 176.094 0.157 0.000 1.114 1253 V CA -0.904 61.500 62.300 0.172 0.000 1.020 1253 V CB 1.763 33.734 31.823 0.247 0.000 1.085 1253 V HN 0.933 nan 8.190 nan 0.000 0.446 1254 Q N 1.028 120.885 119.800 0.094 0.000 2.394 1254 Q HA 0.774 5.114 4.340 -0.001 0.000 0.273 1254 Q C -1.548 174.482 176.000 0.050 0.000 1.089 1254 Q CA -0.277 55.565 55.803 0.065 0.000 0.812 1254 Q CB 2.522 31.246 28.738 -0.023 0.000 1.353 1254 Q HN 0.605 nan 8.270 nan 0.000 0.438 1255 L N 1.430 122.674 121.223 0.035 0.000 2.356 1255 L HA 0.600 4.940 4.340 -0.001 0.000 0.277 1255 L C -0.624 176.242 176.870 -0.007 0.000 0.996 1255 L CA -0.731 54.113 54.840 0.007 0.000 0.822 1255 L CB 1.779 43.823 42.059 -0.025 0.000 1.256 1255 L HN 0.373 nan 8.230 nan 0.000 0.413 1256 K N 3.432 123.840 120.400 0.015 0.000 2.274 1256 K HA 0.551 4.871 4.320 -0.001 0.000 0.262 1256 K C -1.480 175.131 176.600 0.018 0.000 0.961 1256 K CA -0.764 55.522 56.287 -0.002 0.000 0.833 1256 K CB 1.824 34.340 32.500 0.028 0.000 1.102 1256 K HN 0.383 nan 8.250 nan 0.000 0.436 1257 L N 5.051 126.260 121.223 -0.022 0.000 2.295 1257 L HA 0.443 4.782 4.340 -0.001 0.000 0.285 1257 L C -1.614 175.237 176.870 -0.031 0.000 1.035 1257 L CA -0.142 54.732 54.840 0.057 0.000 0.806 1257 L CB 0.575 42.669 42.059 0.058 0.000 1.214 1257 L HN 0.593 nan 8.230 nan 0.000 0.426 1258 Y N 1.899 122.250 120.300 0.086 0.000 2.659 1258 Y HA 0.570 5.120 4.550 -0.001 0.000 0.333 1258 Y C -0.085 175.835 175.900 0.034 0.000 1.064 1258 Y CA -0.958 57.173 58.100 0.052 0.000 1.141 1258 Y CB 1.139 39.638 38.460 0.064 0.000 1.316 1258 Y HN 0.690 nan 8.280 nan 0.000 0.509 1259 D N -1.147 119.321 120.400 0.112 0.000 2.449 1259 D HA 0.112 4.752 4.640 -0.001 0.000 0.250 1259 D C 0.068 176.452 176.300 0.141 0.000 1.050 1259 D CA -0.573 53.297 54.000 -0.217 0.000 1.024 1259 D CB 1.019 41.354 40.800 -0.776 0.000 1.218 1259 D HN 0.646 nan 8.370 nan 0.000 0.566 1260 D N -0.627 120.002 120.400 0.382 0.000 2.389 1260 D HA -0.171 4.469 4.640 -0.001 0.000 0.221 1260 D C 0.672 177.059 176.300 0.145 0.000 0.974 1260 D CA 1.046 55.227 54.000 0.301 0.000 0.923 1260 D CB -0.256 40.754 40.800 0.351 0.000 0.892 1260 D HN 0.330 nan 8.370 nan 0.000 0.518 1261 K N -0.413 120.040 120.400 0.089 0.000 2.397 1261 K HA 0.169 4.488 4.320 -0.001 0.000 0.202 1261 K C -0.235 176.392 176.600 0.046 0.000 1.022 1261 K CA -0.256 56.063 56.287 0.054 0.000 1.141 1261 K CB 0.118 32.642 32.500 0.040 0.000 0.857 1261 K HN -0.128 nan 8.250 nan 0.000 0.514 1262 N N 0.167 118.905 118.700 0.064 0.000 2.754 1262 N HA -0.181 4.558 4.740 -0.001 0.000 0.248 1262 N C -0.980 174.683 175.510 0.254 0.000 1.093 1262 N CA 1.043 54.149 53.050 0.092 0.000 0.699 1262 N CB -1.541 36.911 38.487 -0.058 0.000 1.016 1262 N HN 0.370 nan 8.380 nan 0.000 0.552 1263 A N -0.328 122.613 122.820 0.202 0.000 2.312 1263 A HA 0.632 4.951 4.320 -0.001 0.000 0.326 1263 A C 0.607 178.228 177.584 0.061 0.000 1.172 1263 A CA -0.216 51.889 52.037 0.112 0.000 0.821 1263 A CB 1.175 20.183 19.000 0.014 0.000 1.166 1263 A HN 0.239 nan 8.150 nan 0.000 0.493 1264 S N 1.204 116.865 115.700 -0.065 0.000 2.516 1264 S HA 0.231 4.700 4.470 -0.001 0.000 0.282 1264 S C 0.611 175.140 174.600 -0.118 0.000 1.286 1264 S CA -0.344 57.728 58.200 -0.213 0.000 1.066 1264 S CB -0.374 62.716 63.200 -0.183 0.000 0.884 1264 S HN 0.540 nan 8.310 nan 0.000 0.491 1265 L N 5.036 126.183 121.223 -0.127 0.000 2.628 1265 L HA 0.341 4.681 4.340 -0.001 0.000 0.229 1265 L C 1.330 178.188 176.870 -0.020 0.000 1.137 1265 L CA 0.140 54.929 54.840 -0.085 0.000 0.909 1265 L CB -1.068 40.926 42.059 -0.108 0.000 1.137 1265 L HN 1.006 nan 8.230 nan 0.000 0.470 1266 G N 0.748 109.574 108.800 0.044 0.000 2.846 1266 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.660 1266 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.660 1266 G C -0.255 174.661 174.900 0.027 0.000 1.464 1266 G CA -0.891 44.306 45.100 0.161 0.000 0.891 1266 G HN 0.067 nan 8.290 nan 0.000 0.552 1267 L N -0.540 120.626 121.223 -0.096 0.000 2.543 1267 L HA 0.171 4.510 4.340 -0.001 0.000 0.285 1267 L C 1.338 178.200 176.870 -0.013 0.000 1.236 1267 L CA -0.418 54.341 54.840 -0.135 0.000 0.871 1267 L CB -0.026 41.813 42.059 -0.367 0.000 1.121 1267 L HN 0.449 nan 8.230 nan 0.000 0.501 1268 V N 2.542 122.451 119.914 -0.007 0.000 2.530 1268 V HA 0.641 4.761 4.120 -0.001 0.000 0.282 1268 V C 0.789 176.999 176.094 0.194 0.000 1.048 1268 V CA 0.558 62.907 62.300 0.081 0.000 0.997 1268 V CB 0.837 32.651 31.823 -0.015 0.000 0.987 1268 V HN 1.049 nan 8.190 nan 0.000 0.477 1269 G N 3.639 112.610 108.800 0.285 0.000 2.588 1269 G HA2 0.683 4.643 3.960 -0.001 0.000 0.281 1269 G HA3 0.683 4.643 3.960 -0.001 0.000 0.281 1269 G C -0.581 174.538 174.900 0.365 0.000 1.223 1269 G CA 0.248 45.524 45.100 0.294 0.000 0.871 1269 G HN 0.800 nan 8.290 nan 0.000 0.492 1270 T N -3.029 111.699 114.554 0.290 0.000 2.888 1270 T HA 0.769 5.119 4.350 -0.001 0.000 0.288 1270 T C -0.993 173.817 174.700 0.182 0.000 1.063 1270 T CA -0.570 61.674 62.100 0.240 0.000 1.010 1270 T CB 2.180 71.145 68.868 0.162 0.000 1.214 1270 T HN 1.051 nan 8.240 nan 0.000 0.533 1271 H N 0.195 119.253 119.070 -0.020 0.000 3.029 1271 H HA 0.431 4.987 4.556 -0.001 0.000 0.358 1271 H C -1.106 174.037 175.328 -0.307 0.000 1.129 1271 H CA -0.777 55.127 56.048 -0.241 0.000 1.230 1271 H CB 1.512 31.044 29.762 -0.384 0.000 1.827 1271 H HN 0.729 nan 8.280 nan 0.000 0.530 1272 N N 3.283 121.846 118.700 -0.229 0.000 2.499 1272 N HA 0.490 5.230 4.740 -0.001 0.000 0.281 1272 N C -0.346 175.090 175.510 -0.124 0.000 1.098 1272 N CA 0.850 53.821 53.050 -0.133 0.000 0.979 1272 N CB 1.587 39.981 38.487 -0.156 0.000 1.121 1272 N HN 0.939 nan 8.380 nan 0.000 0.466 1273 G N 1.512 110.280 108.800 -0.053 0.000 2.323 1273 G HA2 0.194 4.154 3.960 -0.001 0.000 0.291 1273 G HA3 0.194 4.154 3.960 -0.001 0.000 0.291 1273 G C -2.271 172.678 174.900 0.082 0.000 1.278 1273 G CA -0.513 44.590 45.100 0.005 0.000 0.860 1273 G HN 0.616 nan 8.290 nan 0.000 0.504 1274 Q N -0.519 119.356 119.800 0.126 0.000 2.389 1274 Q HA 0.739 5.079 4.340 -0.001 0.000 0.277 1274 Q C -1.150 174.861 176.000 0.020 0.000 1.082 1274 Q CA -0.921 54.914 55.803 0.053 0.000 0.810 1274 Q CB 2.137 30.890 28.738 0.025 0.000 1.374 1274 Q HN 0.691 nan 8.270 nan 0.000 0.422 1275 I N 1.494 122.014 120.570 -0.084 0.000 2.411 1275 I HA 0.617 4.787 4.170 -0.001 0.000 0.284 1275 I C 0.762 176.844 176.117 -0.058 0.000 1.012 1275 I CA -0.091 61.116 61.300 -0.156 0.000 1.119 1275 I CB 1.259 39.045 38.000 -0.356 0.000 1.261 1275 I HN 0.951 nan 8.210 nan 0.000 0.448 1276 G N 5.883 114.660 108.800 -0.038 0.000 2.509 1276 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.259 1276 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.259 1276 G C 0.317 175.218 174.900 0.001 0.000 1.169 1276 G CA 0.011 45.106 45.100 -0.007 0.000 0.953 1276 G HN 0.649 nan 8.290 nan 0.000 0.563 1277 N N 1.726 120.433 118.700 0.011 0.000 2.279 1277 N HA 0.171 4.910 4.740 -0.001 0.000 0.226 1277 N C -0.675 174.844 175.510 0.014 0.000 1.126 1277 N CA -0.069 52.988 53.050 0.011 0.000 0.846 1277 N CB 0.146 38.640 38.487 0.012 0.000 1.050 1277 N HN 0.396 nan 8.380 nan 0.000 0.502 1278 D N 1.312 121.723 120.400 0.018 0.000 2.329 1278 D HA 0.276 4.915 4.640 -0.001 0.000 0.246 1278 D C -2.049 174.254 176.300 0.006 0.000 1.111 1278 D CA -1.333 52.678 54.000 0.018 0.000 0.941 1278 D CB 0.704 41.536 40.800 0.053 0.000 1.169 1278 D HN 0.013 nan 8.370 nan 0.000 0.441 1279 P HA -0.029 nan 4.420 nan 0.000 0.269 1279 P C 0.092 177.394 177.300 0.004 0.000 1.217 1279 P CA -0.217 62.884 63.100 0.001 0.000 0.783 1279 P CB 0.409 32.109 31.700 -0.000 0.000 0.898 1280 N N 2.225 120.933 118.700 0.014 0.000 2.412 1280 N HA -0.004 4.736 4.740 -0.001 0.000 0.254 1280 N C -0.274 175.256 175.510 0.034 0.000 1.232 1280 N CA 0.545 53.606 53.050 0.019 0.000 0.880 1280 N CB 0.255 38.749 38.487 0.012 0.000 1.076 1280 N HN 0.301 nan 8.380 nan 0.000 0.458 1281 R N 1.140 121.671 120.500 0.051 0.000 2.774 1281 R HA 0.256 4.595 4.340 -0.001 0.000 0.272 1281 R C -1.386 174.998 176.300 0.140 0.000 1.000 1281 R CA -0.746 55.419 56.100 0.108 0.000 0.906 1281 R CB 1.488 31.836 30.300 0.081 0.000 1.227 1281 R HN 0.530 nan 8.270 nan 0.000 0.468 1282 D N 2.702 123.217 120.400 0.192 0.000 2.411 1282 D HA 0.221 4.861 4.640 -0.001 0.000 0.225 1282 D C -0.242 176.217 176.300 0.264 0.000 1.156 1282 D CA 0.103 54.200 54.000 0.161 0.000 0.874 1282 D CB 0.864 41.730 40.800 0.110 0.000 1.034 1282 D HN 0.242 nan 8.370 nan 0.000 0.502 1283 I N 2.485 123.213 120.570 0.263 0.000 2.396 1283 I HA 0.127 4.296 4.170 -0.001 0.000 0.292 1283 I C 0.797 177.110 176.117 0.326 0.000 0.999 1283 I CA -0.683 60.822 61.300 0.342 0.000 1.310 1283 I CB 1.284 39.443 38.000 0.264 0.000 1.404 1283 I HN 0.086 nan 8.210 nan 0.000 0.496 1284 L N 6.875 128.308 121.223 0.349 0.000 2.426 1284 L HA 0.414 4.753 4.340 -0.001 0.000 0.271 1284 L C -0.173 176.845 176.870 0.247 0.000 1.169 1284 L CA -0.015 54.999 54.840 0.290 0.000 0.836 1284 L CB 0.403 42.602 42.059 0.233 0.000 1.112 1284 L HN 0.582 nan 8.230 nan 0.000 0.465 1285 I N -0.013 120.692 120.570 0.224 0.000 3.229 1285 I HA 0.845 5.015 4.170 -0.001 0.000 0.313 1285 I C -0.953 175.256 176.117 0.153 0.000 1.317 1285 I CA -0.842 60.564 61.300 0.177 0.000 0.940 1285 I CB 2.049 40.174 38.000 0.210 0.000 1.315 1285 I HN 0.462 nan 8.210 nan 0.000 0.484 1286 A N 1.195 124.064 122.820 0.082 0.000 2.350 1286 A HA 0.923 5.242 4.320 -0.001 0.000 0.324 1286 A C -0.621 177.007 177.584 0.072 0.000 1.118 1286 A CA -0.405 51.675 52.037 0.071 0.000 0.783 1286 A CB 1.394 20.393 19.000 -0.003 0.000 1.236 1286 A HN 1.000 nan 8.150 nan 0.000 0.457 1287 S N 0.748 116.540 115.700 0.154 0.000 2.533 1287 S HA 0.378 4.847 4.470 -0.001 0.000 0.271 1287 S C -0.291 174.422 174.600 0.187 0.000 1.143 1287 S CA -0.696 57.595 58.200 0.152 0.000 0.891 1287 S CB 1.141 64.424 63.200 0.139 0.000 1.105 1287 S HN 0.643 nan 8.310 nan 0.000 0.468 1288 N N 1.684 120.498 118.700 0.189 0.000 2.336 1288 N HA 0.028 4.767 4.740 -0.001 0.000 0.189 1288 N C 1.048 176.735 175.510 0.296 0.000 1.113 1288 N CA 0.132 53.367 53.050 0.309 0.000 0.858 1288 N CB -0.049 38.607 38.487 0.283 0.000 0.970 1288 N HN 0.794 nan 8.380 nan 0.000 0.471 1289 W N 1.658 122.942 121.300 -0.027 0.000 2.318 1289 W HA -0.216 4.444 4.660 -0.001 0.000 0.313 1289 W C 1.338 177.816 176.519 -0.069 0.000 1.221 1289 W CA 1.449 58.728 57.345 -0.111 0.000 1.266 1289 W CB -0.622 28.625 29.460 -0.355 0.000 1.150 1289 W HN 0.026 nan 8.180 nan 0.000 0.496 1290 Y N -0.735 119.553 120.300 -0.020 0.000 2.298 1290 Y HA -0.235 4.314 4.550 -0.001 0.000 0.287 1290 Y C 2.121 177.838 175.900 -0.306 0.000 1.164 1290 Y CA 1.843 59.768 58.100 -0.292 0.000 1.229 1290 Y CB -1.396 36.908 38.460 -0.261 0.000 0.977 1290 Y HN -0.108 nan 8.280 nan 0.000 0.538 1291 F N -0.534 119.440 119.950 0.040 0.000 2.365 1291 F HA -0.161 4.365 4.527 -0.001 0.000 0.300 1291 F C 2.073 177.825 175.800 -0.080 0.000 1.090 1291 F CA 0.976 58.969 58.000 -0.012 0.000 1.408 1291 F CB -0.514 38.482 39.000 -0.007 0.000 1.060 1291 F HN 0.062 nan 8.300 nan 0.000 0.534 1292 N N -0.835 117.877 118.700 0.021 0.000 2.467 1292 N HA -0.087 4.653 4.740 -0.001 0.000 0.184 1292 N C 0.358 175.657 175.510 -0.352 0.000 1.106 1292 N CA 0.728 53.692 53.050 -0.143 0.000 0.892 1292 N CB -0.234 38.143 38.487 -0.184 0.000 0.969 1292 N HN 0.245 nan 8.380 nan 0.000 0.454 1293 H N -0.922 117.926 119.070 -0.369 0.000 2.567 1293 H HA 0.323 4.878 4.556 -0.001 0.000 0.267 1293 H C 1.251 176.464 175.328 -0.192 0.000 1.148 1293 H CA -0.214 55.627 56.048 -0.344 0.000 1.031 1293 H CB 0.149 29.553 29.762 -0.597 0.000 1.691 1293 H HN 0.024 nan 8.280 nan 0.000 0.588 1294 L N 0.087 121.280 121.223 -0.051 0.000 2.353 1294 L HA -0.137 4.203 4.340 -0.001 0.000 0.220 1294 L C 1.556 178.406 176.870 -0.033 0.000 1.133 1294 L CA 1.305 56.127 54.840 -0.029 0.000 0.798 1294 L CB -0.085 41.975 42.059 0.002 0.000 0.922 1294 L HN 0.252 nan 8.230 nan 0.000 0.445 1295 K N -0.662 119.711 120.400 -0.046 0.000 2.404 1295 K HA 0.067 4.386 4.320 -0.001 0.000 0.194 1295 K C 0.086 176.669 176.600 -0.029 0.000 1.023 1295 K CA -0.182 56.081 56.287 -0.039 0.000 1.094 1295 K CB 0.103 32.575 32.500 -0.048 0.000 0.841 1295 K HN 0.232 nan 8.250 nan 0.000 0.523 1296 D N 1.621 122.009 120.400 -0.020 0.000 2.325 1296 D HA -0.030 4.609 4.640 -0.001 0.000 0.237 1296 D C 1.182 177.480 176.300 -0.004 0.000 1.328 1296 D CA 0.502 54.502 54.000 -0.001 0.000 0.918 1296 D CB 0.669 41.485 40.800 0.027 0.000 1.156 1296 D HN -0.100 nan 8.370 nan 0.000 0.485 1297 K N -0.378 120.024 120.400 0.004 0.000 2.099 1297 K HA 0.165 4.485 4.320 -0.001 0.000 0.203 1297 K C 0.230 176.825 176.600 -0.008 0.000 1.047 1297 K CA 0.462 56.750 56.287 0.001 0.000 0.963 1297 K CB 0.472 32.978 32.500 0.010 0.000 0.759 1297 K HN 0.225 nan 8.250 nan 0.000 0.451 1298 I N 1.598 122.166 120.570 -0.003 0.000 2.465 1298 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 1298 I C -1.272 174.837 176.117 -0.013 0.000 1.014 1298 I CA -1.002 60.286 61.300 -0.019 0.000 1.093 1298 I CB 1.800 39.795 38.000 -0.009 0.000 1.267 1298 I HN -0.009 nan 8.210 nan 0.000 0.431 1299 L N 4.341 125.534 121.223 -0.051 0.000 2.464 1299 L HA 0.580 4.919 4.340 -0.001 0.000 0.266 1299 L C 0.976 177.775 176.870 -0.117 0.000 0.965 1299 L CA -0.095 54.732 54.840 -0.022 0.000 0.833 1299 L CB 2.110 44.150 42.059 -0.031 0.000 1.296 1299 L HN 0.688 nan 8.230 nan 0.000 0.405 1300 G N 1.683 110.495 108.800 0.019 0.000 2.470 1300 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.220 1300 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.220 1300 G C 0.997 175.624 174.900 -0.456 0.000 1.121 1300 G CA 1.003 46.060 45.100 -0.071 0.000 0.766 1300 G HN 0.874 nan 8.290 nan 0.000 0.553 1301 C N -0.108 118.727 119.300 -0.775 0.000 2.559 1301 C HA 0.365 4.825 4.460 -0.001 0.000 0.300 1301 C C -0.322 174.345 174.990 -0.539 0.000 1.288 1301 C CA -1.690 56.852 59.018 -0.794 0.000 1.699 1301 C CB -0.969 26.098 27.740 -1.122 0.000 1.819 1301 C HN 0.082 nan 8.230 nan 0.000 0.600 1302 D N 1.016 121.062 120.400 -0.590 0.000 2.280 1302 D HA 0.410 5.050 4.640 -0.001 0.000 0.243 1302 D C -0.767 175.162 176.300 -0.619 0.000 1.129 1302 D CA 0.440 54.166 54.000 -0.455 0.000 0.848 1302 D CB 0.553 41.128 40.800 -0.374 0.000 1.107 1302 D HN 0.636 nan 8.370 nan 0.000 0.471 1303 W N 1.833 122.993 121.300 -0.233 0.000 2.844 1303 W HA 0.354 5.013 4.660 -0.001 0.000 0.340 1303 W C -0.578 175.854 176.519 -0.145 0.000 1.093 1303 W CA -1.005 56.185 57.345 -0.258 0.000 1.212 1303 W CB 0.974 30.237 29.460 -0.328 0.000 1.422 1303 W HN 0.190 nan 8.180 nan 0.000 0.515 1304 Y N 2.121 122.523 120.300 0.170 0.000 2.335 1304 Y HA 0.385 4.935 4.550 -0.001 0.000 0.339 1304 Y C -0.549 175.345 175.900 -0.011 0.000 0.987 1304 Y CA -1.621 56.576 58.100 0.161 0.000 1.140 1304 Y CB 0.357 38.898 38.460 0.135 0.000 1.173 1304 Y HN 0.149 nan 8.280 nan 0.000 0.486 1305 F N 3.332 123.397 119.950 0.192 0.000 2.313 1305 F HA 0.408 4.935 4.527 -0.001 0.000 0.369 1305 F C -0.313 175.558 175.800 0.118 0.000 1.109 1305 F CA -0.886 57.112 58.000 -0.003 0.000 1.132 1305 F CB 0.706 39.447 39.000 -0.432 0.000 1.291 1305 F HN 0.049 nan 8.300 nan 0.000 0.496 1306 V N 5.923 126.025 119.914 0.313 0.000 2.350 1306 V HA 0.373 4.493 4.120 -0.001 0.000 0.276 1306 V C -2.139 174.291 176.094 0.560 0.000 1.028 1306 V CA -1.852 60.598 62.300 0.250 0.000 0.860 1306 V CB 0.928 32.682 31.823 -0.115 0.000 0.990 1306 V HN 0.419 nan 8.190 nan 0.000 0.453 1307 P HA 0.273 nan 4.420 nan 0.000 0.290 1307 P C 0.003 177.637 177.300 0.557 0.000 1.275 1307 P CA -0.211 63.161 63.100 0.454 0.000 0.841 1307 P CB 1.381 33.304 31.700 0.372 0.000 1.042 1308 T N -0.195 114.499 114.554 0.233 0.000 2.946 1308 T HA 0.160 4.509 4.350 -0.001 0.000 0.311 1308 T C -0.169 174.614 174.700 0.138 0.000 1.063 1308 T CA -0.013 62.008 62.100 -0.132 0.000 1.139 1308 T CB 0.256 68.863 68.868 -0.435 0.000 0.994 1308 T HN 0.496 nan 8.240 nan 0.000 0.547 1309 D N 0.865 121.387 120.400 0.203 0.000 2.753 1309 D HA 0.104 4.744 4.640 -0.001 0.000 0.224 1309 D C 0.953 177.302 176.300 0.081 0.000 1.213 1309 D CA -0.496 53.566 54.000 0.103 0.000 0.833 1309 D CB 2.051 42.810 40.800 -0.069 0.000 1.607 1309 D HN 0.838 nan 8.370 nan 0.000 0.463 1310 E N 1.405 121.628 120.200 0.039 0.000 2.204 1310 E HA -0.083 4.267 4.350 -0.001 0.000 0.194 1310 E C 1.478 178.137 176.600 0.099 0.000 0.989 1310 E CA 1.059 57.508 56.400 0.081 0.000 0.824 1310 E CB -0.204 29.547 29.700 0.085 0.000 0.756 1310 E HN 0.461 nan 8.360 nan 0.000 0.477 1311 G N 0.673 109.491 108.800 0.031 0.000 2.470 1311 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.220 1311 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.220 1311 G C -0.027 174.860 174.900 -0.022 0.000 1.121 1311 G CA 0.338 45.414 45.100 -0.040 0.000 0.766 1311 G HN 0.374 nan 8.290 nan 0.000 0.553 1312 W N 1.800 123.003 121.300 -0.162 0.000 2.647 1312 W HA 0.577 5.237 4.660 -0.000 0.000 0.328 1312 W C -1.388 175.185 176.519 0.090 0.000 1.018 1312 W CA -0.913 56.396 57.345 -0.060 0.000 1.245 1312 W CB 1.327 30.792 29.460 0.009 0.000 1.356 1312 W HN -0.137 nan 8.180 nan 0.000 0.443 1313 T N 4.951 119.562 114.554 0.095 0.000 2.824 1313 T HA 0.248 4.598 4.350 -0.001 0.000 0.282 1313 T C -0.098 174.584 174.700 -0.029 0.000 0.993 1313 T CA -0.687 61.516 62.100 0.171 0.000 0.967 1313 T CB 1.278 70.169 68.868 0.039 0.000 0.960 1313 T HN 0.228 nan 8.240 nan 0.000 0.441 1314 N N 3.369 122.151 118.700 0.138 0.000 2.497 1314 N HA 0.107 4.847 4.740 -0.001 0.000 0.268 1314 N C 0.201 175.668 175.510 -0.072 0.000 1.171 1314 N CA 0.012 53.116 53.050 0.090 0.000 0.948 1314 N CB 0.516 39.149 38.487 0.243 0.000 1.069 1314 N HN 0.585 nan 8.380 nan 0.000 0.460 1315 D N 0.000 120.243 120.400 -0.262 0.000 6.856 1315 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 1315 D CA 0.000 53.737 54.000 -0.438 0.000 0.868 1315 D CB 0.000 40.277 40.800 -0.872 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683