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 3q32_1_A DATA FIRST_RESID 840 DATA SEQUENCE DPTQFEERHL KFLQQLGKGN FGSVEMCRYD PLQDNTGEVV AVKKLQHSTE DATA SEQUENCE EHLRDFEREI EILKSLQHDN IVKYKGVCYS AGRRNLKLIM EYLPYGSLRD DATA SEQUENCE YLQKHKERID HIKLLQYTSQ ICKGMEYLGT KRYIHRDLAT RNILVENENR DATA SEQUENCE VKIGDFGLTK VLPQDKEXXK VKEPGESPIF WYAPESLTES KFSVASDVWS DATA SEQUENCE FGVVLYELFT YIEKSKSPPA EFMRMIGNDK QGQMIVFHLI ELLKNNGRLP DATA SEQUENCE RPDGCPDEIY MIMTECWNNN VNQRPSFRDL ALRVDQIRDN MAG 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 840 D HA 0.000 nan 4.640 nan 0.000 0.175 840 D C 0.000 176.255 176.300 -0.075 0.000 2.045 840 D CA 0.000 53.988 54.000 -0.021 0.000 0.868 840 D CB 0.000 40.805 40.800 0.009 0.000 0.688 841 P HA 0.009 nan 4.420 nan 0.000 0.219 841 P C 1.246 178.372 177.300 -0.290 0.000 1.150 841 P CA 0.607 63.587 63.100 -0.200 0.000 0.814 841 P CB 0.285 31.916 31.700 -0.115 0.000 0.787 842 T N -0.917 113.591 114.554 -0.077 0.000 2.946 842 T HA -0.135 4.216 4.350 0.002 0.000 0.271 842 T C 0.909 175.650 174.700 0.068 0.000 1.104 842 T CA 0.956 63.087 62.100 0.051 0.000 1.114 842 T CB -0.399 68.559 68.868 0.151 0.000 0.867 842 T HN 0.112 nan 8.240 nan 0.000 0.513 843 Q N 0.458 120.233 119.800 -0.042 0.000 2.303 843 Q HA 0.437 4.777 4.340 0.002 0.000 0.257 843 Q C -1.549 174.356 176.000 -0.159 0.000 0.941 843 Q CA -0.227 55.585 55.803 0.015 0.000 0.931 843 Q CB 0.140 28.912 28.738 0.057 0.000 1.215 843 Q HN 0.271 nan 8.270 nan 0.000 0.437 844 F N 2.264 122.143 119.950 -0.119 0.000 2.426 844 F HA 0.297 4.825 4.527 0.001 0.000 0.348 844 F C 0.299 176.124 175.800 0.043 0.000 1.124 844 F CA -0.966 56.904 58.000 -0.216 0.000 1.008 844 F CB 1.596 40.323 39.000 -0.455 0.000 1.139 844 F HN 0.456 nan 8.300 nan 0.000 0.452 845 E N 2.328 122.776 120.200 0.413 0.000 2.299 845 E HA 0.011 4.362 4.350 0.002 0.000 0.272 845 E C 1.021 177.841 176.600 0.368 0.000 1.043 845 E CA 0.159 56.785 56.400 0.377 0.000 0.895 845 E CB 0.950 30.918 29.700 0.448 0.000 1.011 845 E HN 0.620 nan 8.360 nan 0.000 0.432 846 E N 4.405 124.720 120.200 0.190 0.000 2.085 846 E HA -0.280 4.071 4.350 0.002 0.000 0.194 846 E C 1.604 178.244 176.600 0.067 0.000 0.994 846 E CA 2.083 58.563 56.400 0.132 0.000 0.801 846 E CB 0.034 29.784 29.700 0.083 0.000 0.743 846 E HN 0.620 nan 8.360 nan 0.000 0.453 847 R N -0.872 119.587 120.500 -0.069 0.000 2.249 847 R HA -0.129 4.212 4.340 0.002 0.000 0.230 847 R C 1.070 177.233 176.300 -0.228 0.000 1.121 847 R CA 1.631 57.614 56.100 -0.194 0.000 0.997 847 R CB -0.466 29.649 30.300 -0.309 0.000 0.867 847 R HN 0.309 nan 8.270 nan 0.000 0.465 848 H N -0.276 118.823 119.070 0.050 0.000 2.586 848 H HA 0.201 4.757 4.556 0.002 0.000 0.273 848 H C -0.374 174.937 175.328 -0.029 0.000 0.997 848 H CA -0.364 55.630 56.048 -0.090 0.000 1.177 848 H CB 0.529 30.085 29.762 -0.342 0.000 1.471 848 H HN 0.039 nan 8.280 nan 0.000 0.538 849 L N 2.713 124.073 121.223 0.228 0.000 2.287 849 L HA 0.199 4.540 4.340 0.002 0.000 0.280 849 L C 0.013 176.966 176.870 0.139 0.000 1.055 849 L CA -0.440 54.546 54.840 0.244 0.000 0.863 849 L CB 0.349 42.560 42.059 0.252 0.000 1.245 849 L HN -0.112 nan 8.230 nan 0.000 0.432 850 K N 4.983 125.444 120.400 0.101 0.000 2.285 850 K HA 0.167 4.488 4.320 0.002 0.000 0.286 850 K C -0.340 176.314 176.600 0.090 0.000 1.072 850 K CA -0.545 55.792 56.287 0.084 0.000 0.913 850 K CB 0.735 33.259 32.500 0.040 0.000 1.067 850 K HN 0.322 nan 8.250 nan 0.000 0.479 851 F N 4.019 123.966 119.950 -0.004 0.000 2.578 851 F HA -0.030 4.498 4.527 0.002 0.000 0.376 851 F C 0.374 176.159 175.800 -0.026 0.000 1.085 851 F CA 0.255 58.246 58.000 -0.015 0.000 1.260 851 F CB 0.402 39.395 39.000 -0.012 0.000 1.095 851 F HN 0.482 nan 8.300 nan 0.000 0.573 852 L N 3.117 123.843 121.223 -0.830 0.000 2.624 852 L HA 0.305 4.646 4.340 0.002 0.000 0.222 852 L C -0.042 176.271 176.870 -0.928 0.000 1.046 852 L CA 0.041 54.500 54.840 -0.636 0.000 0.872 852 L CB 0.160 41.987 42.059 -0.387 0.000 1.190 852 L HN 0.660 nan 8.230 nan 0.000 0.487 853 Q N -0.091 118.911 119.800 -1.330 0.000 2.617 853 Q HA 0.141 4.482 4.340 0.002 0.000 0.270 853 Q C -1.694 174.067 176.000 -0.399 0.000 0.967 853 Q CA -0.441 54.919 55.803 -0.739 0.000 0.887 853 Q CB 2.003 30.563 28.738 -0.297 0.000 1.516 853 Q HN -0.002 nan 8.270 nan 0.000 0.395 854 Q N 2.889 122.740 119.800 0.085 0.000 2.288 854 Q HA 0.265 4.606 4.340 0.002 0.000 0.254 854 Q C -0.155 175.886 176.000 0.069 0.000 0.932 854 Q CA 0.131 56.037 55.803 0.170 0.000 0.902 854 Q CB 0.846 29.715 28.738 0.219 0.000 1.203 854 Q HN 0.773 nan 8.270 nan 0.000 0.415 855 L N 2.107 123.366 121.223 0.060 0.000 2.445 855 L HA 0.434 4.775 4.340 0.002 0.000 0.207 855 L C 0.877 177.776 176.870 0.048 0.000 1.053 855 L CA 0.388 55.260 54.840 0.053 0.000 0.841 855 L CB 0.589 42.686 42.059 0.064 0.000 1.074 855 L HN 0.703 nan 8.230 nan 0.000 0.479 856 G N -0.240 108.586 108.800 0.043 0.000 2.718 856 G HA2 0.511 4.472 3.960 0.002 0.000 0.295 856 G HA3 0.511 4.472 3.960 0.002 0.000 0.295 856 G C -1.834 173.081 174.900 0.025 0.000 1.421 856 G CA -0.369 44.751 45.100 0.032 0.000 0.902 856 G HN -0.234 nan 8.290 nan 0.000 0.501 857 K N -0.270 120.144 120.400 0.022 0.000 2.316 857 K HA 0.718 5.039 4.320 0.002 0.000 0.251 857 K C 0.209 176.823 176.600 0.023 0.000 0.934 857 K CA -0.473 55.824 56.287 0.017 0.000 0.802 857 K CB 2.293 34.806 32.500 0.021 0.000 1.171 857 K HN 0.731 nan 8.250 nan 0.000 0.426 858 G N 0.984 109.803 108.800 0.032 0.000 2.932 858 G HA2 0.138 4.099 3.960 0.002 0.000 0.283 858 G HA3 0.138 4.099 3.960 0.002 0.000 0.283 858 G C -0.044 174.913 174.900 0.095 0.000 1.336 858 G CA -0.575 44.574 45.100 0.081 0.000 1.056 858 G HN 0.736 nan 8.290 nan 0.000 0.522 859 N N -1.121 117.646 118.700 0.112 0.000 2.188 859 N HA -0.031 4.710 4.740 0.002 0.000 0.184 859 N C 1.375 176.969 175.510 0.139 0.000 1.018 859 N CA 1.602 54.686 53.050 0.056 0.000 0.858 859 N CB -0.068 38.373 38.487 -0.075 0.000 0.989 859 N HN 0.441 nan 8.380 nan 0.000 0.426 860 F N -1.873 117.979 119.950 -0.164 0.000 2.688 860 F HA 0.634 5.161 4.527 0.001 0.000 0.310 860 F C 0.410 176.050 175.800 -0.266 0.000 1.098 860 F CA -1.058 56.775 58.000 -0.279 0.000 1.228 860 F CB -0.191 38.443 39.000 -0.610 0.000 1.042 860 F HN -0.158 nan 8.300 nan 0.000 0.557 861 G N 0.027 108.749 108.800 -0.128 0.000 2.428 861 G HA2 0.505 4.466 3.960 0.002 0.000 0.304 861 G HA3 0.505 4.466 3.960 0.002 0.000 0.304 861 G C -1.704 173.112 174.900 -0.141 0.000 1.303 861 G CA -0.176 44.762 45.100 -0.270 0.000 0.825 861 G HN 0.621 nan 8.290 nan 0.000 0.484 862 S N -2.102 113.509 115.700 -0.148 0.000 2.596 862 S HA 0.797 5.267 4.470 0.002 0.000 0.270 862 S C -1.616 172.958 174.600 -0.043 0.000 1.155 862 S CA -0.681 57.481 58.200 -0.062 0.000 0.827 862 S CB 1.839 65.025 63.200 -0.024 0.000 1.130 862 S HN 1.355 nan 8.310 nan 0.000 0.467 863 V N 1.429 121.345 119.914 0.003 0.000 2.531 863 V HA 0.600 4.720 4.120 0.002 0.000 0.301 863 V C -0.659 175.465 176.094 0.050 0.000 1.034 863 V CA -0.476 61.838 62.300 0.023 0.000 0.865 863 V CB 1.456 33.294 31.823 0.025 0.000 0.995 863 V HN 0.978 nan 8.190 nan 0.000 0.424 864 E N 3.531 123.763 120.200 0.052 0.000 2.277 864 E HA 0.546 4.897 4.350 0.002 0.000 0.266 864 E C -0.839 175.747 176.600 -0.024 0.000 0.901 864 E CA -0.881 55.544 56.400 0.042 0.000 0.782 864 E CB 2.871 32.652 29.700 0.135 0.000 1.228 864 E HN 0.616 nan 8.360 nan 0.000 0.424 865 M N 2.587 122.107 119.600 -0.134 0.000 2.113 865 M HA 0.363 4.844 4.480 0.002 0.000 0.352 865 M C -1.465 174.660 176.300 -0.292 0.000 1.170 865 M CA -0.154 55.015 55.300 -0.219 0.000 1.053 865 M CB 0.188 32.616 32.600 -0.287 0.000 1.601 865 M HN 0.609 nan 8.290 nan 0.000 0.459 866 C N 3.314 122.490 119.300 -0.206 0.000 2.971 866 C HA 0.664 5.125 4.460 0.002 0.000 0.310 866 C C -0.379 174.545 174.990 -0.110 0.000 1.285 866 C CA -0.960 57.979 59.018 -0.131 0.000 1.593 866 C CB 2.353 30.080 27.740 -0.022 0.000 2.076 866 C HN 0.931 nan 8.230 nan 0.000 0.472 867 R N 0.700 121.172 120.500 -0.046 0.000 2.393 867 R HA 0.400 4.741 4.340 0.002 0.000 0.315 867 R C -1.717 174.637 176.300 0.090 0.000 0.952 867 R CA -0.325 55.769 56.100 -0.009 0.000 0.842 867 R CB 0.624 30.897 30.300 -0.045 0.000 1.163 867 R HN 0.808 nan 8.270 nan 0.000 0.450 868 Y N 4.118 124.438 120.300 0.032 0.000 2.556 868 Y HA 0.190 4.740 4.550 0.001 0.000 0.352 868 Y C -0.842 175.105 175.900 0.077 0.000 1.006 868 Y CA -0.539 57.627 58.100 0.111 0.000 1.277 868 Y CB 0.685 39.286 38.460 0.235 0.000 1.136 868 Y HN 0.584 nan 8.280 nan 0.000 0.523 869 D N 8.870 129.079 120.400 -0.319 0.000 2.483 869 D HA 0.283 4.924 4.640 0.002 0.000 0.281 869 D C -1.973 174.057 176.300 -0.450 0.000 1.174 869 D CA -2.438 51.389 54.000 -0.288 0.000 0.938 869 D CB 1.139 41.868 40.800 -0.117 0.000 1.002 869 D HN 0.291 nan 8.370 nan 0.000 0.501 870 P HA -0.103 nan 4.420 nan 0.000 0.217 870 P C 1.632 178.560 177.300 -0.621 0.000 1.151 870 P CA 0.599 63.062 63.100 -1.061 0.000 0.828 870 P CB 0.401 31.610 31.700 -0.818 0.000 0.788 871 L N -1.330 119.697 121.223 -0.326 0.000 2.456 871 L HA -0.064 4.277 4.340 0.002 0.000 0.224 871 L C 1.140 177.939 176.870 -0.118 0.000 1.148 871 L CA 0.817 55.549 54.840 -0.180 0.000 0.825 871 L CB -0.967 41.020 42.059 -0.120 0.000 0.937 871 L HN 0.033 nan 8.230 nan 0.000 0.450 872 Q N -0.104 119.627 119.800 -0.115 0.000 2.348 872 Q HA -0.255 4.086 4.340 0.002 0.000 0.221 872 Q C 0.613 176.591 176.000 -0.037 0.000 0.735 872 Q CA 1.519 57.295 55.803 -0.046 0.000 1.351 872 Q CB -1.516 27.223 28.738 0.002 0.000 1.640 872 Q HN 0.839 nan 8.270 nan 0.000 0.667 873 D N -0.849 119.522 120.400 -0.049 0.000 2.328 873 D HA 0.117 4.758 4.640 0.002 0.000 0.221 873 D C 0.230 176.510 176.300 -0.033 0.000 1.072 873 D CA 0.153 54.131 54.000 -0.036 0.000 0.850 873 D CB -0.176 40.601 40.800 -0.037 0.000 0.922 873 D HN 0.288 nan 8.370 nan 0.000 0.516 874 N N -0.767 117.911 118.700 -0.037 0.000 2.758 874 N HA -0.193 4.548 4.740 0.002 0.000 0.248 874 N C 0.155 175.646 175.510 -0.032 0.000 1.076 874 N CA 1.309 54.339 53.050 -0.033 0.000 0.696 874 N CB -1.427 37.045 38.487 -0.025 0.000 0.979 874 N HN 0.482 nan 8.380 nan 0.000 0.550 875 T N -4.280 110.252 114.554 -0.037 0.000 3.043 875 T HA 0.389 4.740 4.350 0.002 0.000 0.272 875 T C 0.961 175.647 174.700 -0.023 0.000 0.990 875 T CA 0.124 62.207 62.100 -0.028 0.000 0.897 875 T CB 0.368 69.219 68.868 -0.027 0.000 1.111 875 T HN 0.373 nan 8.240 nan 0.000 0.529 876 G N 1.994 110.775 108.800 -0.032 0.000 2.594 876 G HA2 0.454 4.414 3.960 0.002 0.000 0.243 876 G HA3 0.454 4.414 3.960 0.002 0.000 0.243 876 G C -0.160 174.753 174.900 0.022 0.000 1.229 876 G CA -0.715 44.380 45.100 -0.007 0.000 0.843 876 G HN 0.747 nan 8.290 nan 0.000 0.578 877 E N -0.380 119.861 120.200 0.070 0.000 2.349 877 E HA 0.373 4.723 4.350 0.002 0.000 0.265 877 E C -0.595 176.029 176.600 0.040 0.000 1.064 877 E CA -0.897 55.537 56.400 0.057 0.000 0.886 877 E CB 1.447 31.196 29.700 0.082 0.000 1.036 877 E HN 0.111 nan 8.360 nan 0.000 0.413 878 V N 2.954 122.853 119.914 -0.026 0.000 2.530 878 V HA 0.205 4.326 4.120 0.002 0.000 0.282 878 V C 0.432 176.488 176.094 -0.064 0.000 1.048 878 V CA -0.278 61.945 62.300 -0.128 0.000 0.997 878 V CB 0.729 32.364 31.823 -0.314 0.000 0.987 878 V HN 0.615 nan 8.190 nan 0.000 0.477 879 V N 2.544 122.414 119.914 -0.072 0.000 3.158 879 V HA 1.031 5.152 4.120 0.002 0.000 0.315 879 V C -0.091 175.995 176.094 -0.013 0.000 1.148 879 V CA -1.006 61.278 62.300 -0.027 0.000 1.042 879 V CB 2.005 33.763 31.823 -0.107 0.000 1.101 879 V HN 0.968 nan 8.190 nan 0.000 0.448 880 A N 1.080 123.912 122.820 0.021 0.000 2.288 880 A HA 0.826 5.147 4.320 0.002 0.000 0.320 880 A C -0.686 176.872 177.584 -0.043 0.000 1.217 880 A CA -0.611 51.451 52.037 0.042 0.000 0.840 880 A CB 1.238 20.293 19.000 0.092 0.000 1.179 880 A HN 1.315 nan 8.150 nan 0.000 0.504 881 V N 3.338 123.235 119.914 -0.028 0.000 2.407 881 V HA 0.354 4.475 4.120 0.002 0.000 0.291 881 V C 0.111 176.211 176.094 0.009 0.000 1.018 881 V CA -0.609 61.667 62.300 -0.039 0.000 0.842 881 V CB 1.356 33.157 31.823 -0.035 0.000 0.996 881 V HN 0.915 nan 8.190 nan 0.000 0.426 882 K N 5.554 125.976 120.400 0.036 0.000 2.183 882 K HA 0.644 4.965 4.320 0.002 0.000 0.274 882 K C -0.394 176.254 176.600 0.079 0.000 1.009 882 K CA -0.631 55.687 56.287 0.053 0.000 0.888 882 K CB 1.115 33.679 32.500 0.107 0.000 1.078 882 K HN 0.844 nan 8.250 nan 0.000 0.459 883 K N 2.796 123.148 120.400 -0.081 0.000 2.480 883 K HA 0.378 4.699 4.320 0.002 0.000 0.258 883 K C -1.382 174.976 176.600 -0.403 0.000 0.990 883 K CA -1.053 55.145 56.287 -0.148 0.000 0.857 883 K CB 1.089 33.562 32.500 -0.044 0.000 1.384 883 K HN 0.233 nan 8.250 nan 0.000 0.446 884 L N 1.546 122.499 121.223 -0.449 0.000 2.399 884 L HA 0.235 4.576 4.340 0.002 0.000 0.266 884 L C 0.891 177.628 176.870 -0.222 0.000 1.114 884 L CA 0.358 54.925 54.840 -0.456 0.000 0.804 884 L CB 1.368 43.181 42.059 -0.410 0.000 1.146 884 L HN 0.898 nan 8.230 nan 0.000 0.451 885 Q N -0.263 119.432 119.800 -0.176 0.000 2.316 885 Q HA 0.181 4.522 4.340 0.002 0.000 0.235 885 Q C -0.601 175.338 176.000 -0.102 0.000 0.863 885 Q CA 0.402 56.141 55.803 -0.107 0.000 0.939 885 Q CB 0.419 29.113 28.738 -0.073 0.000 1.108 885 Q HN 0.419 nan 8.270 nan 0.000 0.522 886 H N -0.241 118.796 119.070 -0.055 0.000 2.595 886 H HA 0.255 4.812 4.556 0.001 0.000 0.313 886 H C 0.388 175.744 175.328 0.047 0.000 1.023 886 H CA -0.162 55.901 56.048 0.026 0.000 1.218 886 H CB 1.699 31.526 29.762 0.108 0.000 1.403 886 H HN 0.120 nan 8.280 nan 0.000 0.477 887 S N 2.027 117.791 115.700 0.106 0.000 2.440 887 S HA -0.150 4.321 4.470 0.002 0.000 0.240 887 S C 1.334 176.023 174.600 0.149 0.000 1.014 887 S CA 1.002 59.262 58.200 0.100 0.000 0.980 887 S CB -0.153 63.081 63.200 0.056 0.000 0.775 887 S HN 0.765 nan 8.310 nan 0.000 0.499 888 T N 2.098 116.783 114.554 0.218 0.000 2.897 888 T HA -0.123 4.228 4.350 0.002 0.000 0.304 888 T C 1.193 175.972 174.700 0.133 0.000 1.051 888 T CA 0.328 62.528 62.100 0.168 0.000 1.132 888 T CB 0.272 69.230 68.868 0.151 0.000 1.066 888 T HN 0.260 nan 8.240 nan 0.000 0.518 889 E N 3.088 123.337 120.200 0.082 0.000 2.106 889 E HA -0.140 4.211 4.350 0.002 0.000 0.192 889 E C 1.959 178.595 176.600 0.061 0.000 0.984 889 E CA 1.799 58.240 56.400 0.069 0.000 0.806 889 E CB 0.025 29.751 29.700 0.044 0.000 0.750 889 E HN 0.951 nan 8.360 nan 0.000 0.458 890 E N -0.128 120.081 120.200 0.014 0.000 2.208 890 E HA -0.150 4.201 4.350 0.002 0.000 0.193 890 E C 1.815 178.420 176.600 0.008 0.000 0.988 890 E CA 1.136 57.517 56.400 -0.032 0.000 0.828 890 E CB -0.355 29.274 29.700 -0.118 0.000 0.763 890 E HN 0.253 nan 8.360 nan 0.000 0.478 891 H N -0.466 118.660 119.070 0.093 0.000 2.497 891 H HA 0.197 4.754 4.556 0.002 0.000 0.282 891 H C 1.838 177.240 175.328 0.124 0.000 1.003 891 H CA 0.776 56.901 56.048 0.129 0.000 1.307 891 H CB 0.102 29.945 29.762 0.136 0.000 1.437 891 H HN 0.205 nan 8.280 nan 0.000 0.544 892 L N 0.530 121.897 121.223 0.240 0.000 2.072 892 L HA -0.080 4.261 4.340 0.002 0.000 0.205 892 L C 2.655 179.645 176.870 0.201 0.000 1.079 892 L CA 1.172 56.147 54.840 0.225 0.000 0.752 892 L CB -0.079 42.082 42.059 0.170 0.000 0.906 892 L HN -0.053 nan 8.230 nan 0.000 0.436 893 R N 0.236 120.822 120.500 0.143 0.000 2.073 893 R HA -0.179 4.162 4.340 0.002 0.000 0.234 893 R C 1.851 178.218 176.300 0.113 0.000 1.134 893 R CA 1.980 58.140 56.100 0.100 0.000 0.952 893 R CB -0.780 29.559 30.300 0.065 0.000 0.850 893 R HN 0.384 nan 8.270 nan 0.000 0.433 894 D N -0.623 119.871 120.400 0.157 0.000 2.123 894 D HA -0.171 4.470 4.640 0.002 0.000 0.196 894 D C 1.549 177.975 176.300 0.210 0.000 0.992 894 D CA 1.115 55.222 54.000 0.178 0.000 0.833 894 D CB -0.359 40.599 40.800 0.264 0.000 0.954 894 D HN 0.170 nan 8.370 nan 0.000 0.455 895 F N 1.713 121.683 119.950 0.033 0.000 2.134 895 F HA -0.090 4.437 4.527 0.001 0.000 0.299 895 F C 2.040 177.832 175.800 -0.013 0.000 1.097 895 F CA 1.214 59.199 58.000 -0.025 0.000 1.264 895 F CB -0.299 38.665 39.000 -0.060 0.000 1.001 895 F HN -0.032 nan 8.300 nan 0.000 0.479 896 E N -0.442 119.762 120.200 0.006 0.000 2.110 896 E HA -0.197 4.154 4.350 0.002 0.000 0.193 896 E C 2.366 178.913 176.600 -0.089 0.000 0.988 896 E CA 1.018 57.362 56.400 -0.094 0.000 0.804 896 E CB -0.168 29.527 29.700 -0.007 0.000 0.745 896 E HN 0.364 nan 8.360 nan 0.000 0.458 897 R N 0.710 121.191 120.500 -0.032 0.000 2.075 897 R HA -0.136 4.205 4.340 0.002 0.000 0.232 897 R C 2.369 178.612 176.300 -0.094 0.000 1.126 897 R CA 1.221 57.289 56.100 -0.053 0.000 0.963 897 R CB -0.090 30.197 30.300 -0.022 0.000 0.858 897 R HN 0.206 nan 8.270 nan 0.000 0.435 898 E N 0.848 121.020 120.200 -0.046 0.000 2.077 898 E HA -0.203 4.147 4.350 0.002 0.000 0.193 898 E C 1.909 178.443 176.600 -0.110 0.000 0.989 898 E CA 1.156 57.537 56.400 -0.032 0.000 0.800 898 E CB -0.023 29.750 29.700 0.122 0.000 0.746 898 E HN 0.279 nan 8.360 nan 0.000 0.452 899 I N 1.287 121.739 120.570 -0.196 0.000 2.208 899 I HA -0.261 3.910 4.170 0.002 0.000 0.245 899 I C 2.426 178.397 176.117 -0.243 0.000 1.097 899 I CA 1.070 62.237 61.300 -0.222 0.000 1.363 899 I CB -0.177 37.638 38.000 -0.310 0.000 1.051 899 I HN 0.080 nan 8.210 nan 0.000 0.413 900 E N 0.613 120.685 120.200 -0.213 0.000 2.106 900 E HA -0.145 4.206 4.350 0.002 0.000 0.192 900 E C 2.308 178.779 176.600 -0.216 0.000 0.984 900 E CA 1.181 57.458 56.400 -0.206 0.000 0.806 900 E CB -0.224 29.395 29.700 -0.134 0.000 0.750 900 E HN 0.526 nan 8.360 nan 0.000 0.458 901 I N 0.563 120.979 120.570 -0.258 0.000 2.142 901 I HA -0.278 3.892 4.170 0.002 0.000 0.240 901 I C 2.438 178.375 176.117 -0.301 0.000 1.078 901 I CA 0.705 61.775 61.300 -0.383 0.000 1.343 901 I CB -0.195 37.477 38.000 -0.546 0.000 1.046 901 I HN 0.099 nan 8.210 nan 0.000 0.405 902 L N 1.155 122.192 121.223 -0.311 0.000 2.046 902 L HA -0.219 4.122 4.340 0.002 0.000 0.208 902 L C 2.439 179.161 176.870 -0.247 0.000 1.077 902 L CA 1.886 56.547 54.840 -0.298 0.000 0.747 902 L CB -0.729 41.248 42.059 -0.137 0.000 0.896 902 L HN 0.088 nan 8.230 nan 0.000 0.432 903 K N -0.773 119.354 120.400 -0.454 0.000 2.113 903 K HA -0.194 4.127 4.320 0.002 0.000 0.208 903 K C 2.109 178.547 176.600 -0.269 0.000 1.047 903 K CA 1.649 57.525 56.287 -0.685 0.000 0.928 903 K CB -0.276 31.714 32.500 -0.851 0.000 0.716 903 K HN 0.535 nan 8.250 nan 0.000 0.446 904 S N -0.125 115.484 115.700 -0.153 0.000 2.555 904 S HA 0.018 4.489 4.470 0.002 0.000 0.230 904 S C 0.501 175.138 174.600 0.061 0.000 0.978 904 S CA -0.088 58.099 58.200 -0.020 0.000 0.934 904 S CB -0.257 62.975 63.200 0.052 0.000 0.766 904 S HN 0.188 nan 8.310 nan 0.000 0.533 905 L N 1.705 122.960 121.223 0.054 0.000 2.272 905 L HA 0.521 4.862 4.340 0.002 0.000 0.289 905 L C -0.518 176.461 176.870 0.183 0.000 1.032 905 L CA -0.396 54.563 54.840 0.198 0.000 0.810 905 L CB 1.413 43.526 42.059 0.090 0.000 1.205 905 L HN 0.167 nan 8.230 nan 0.000 0.422 906 Q N 3.522 123.454 119.800 0.220 0.000 2.616 906 Q HA 0.437 4.778 4.340 0.002 0.000 0.250 906 Q C -1.158 174.736 176.000 -0.176 0.000 0.991 906 Q CA -0.328 55.495 55.803 0.033 0.000 0.707 906 Q CB 1.600 30.360 28.738 0.036 0.000 1.247 906 Q HN 0.442 nan 8.270 nan 0.000 0.491 907 H N 0.741 119.651 119.070 -0.267 0.000 3.046 907 H HA 0.159 4.716 4.556 0.001 0.000 0.361 907 H C -0.405 174.832 175.328 -0.151 0.000 1.235 907 H CA -0.440 55.388 56.048 -0.367 0.000 1.146 907 H CB 2.107 31.499 29.762 -0.618 0.000 1.859 907 H HN 0.431 nan 8.280 nan 0.000 0.548 908 D N 1.504 121.716 120.400 -0.313 0.000 2.264 908 D HA -0.089 4.552 4.640 0.002 0.000 0.208 908 D C 0.321 176.670 176.300 0.081 0.000 0.966 908 D CA 1.092 55.024 54.000 -0.113 0.000 0.864 908 D CB 0.167 40.849 40.800 -0.197 0.000 0.933 908 D HN 0.489 nan 8.370 nan 0.000 0.499 909 N N -0.438 118.473 118.700 0.352 0.000 2.321 909 N HA 0.254 4.994 4.740 0.002 0.000 0.242 909 N C -0.418 175.213 175.510 0.201 0.000 1.141 909 N CA -0.017 53.180 53.050 0.244 0.000 0.864 909 N CB 1.097 39.714 38.487 0.217 0.000 1.100 909 N HN 0.057 nan 8.380 nan 0.000 0.510 910 I N 0.473 121.171 120.570 0.213 0.000 2.499 910 I HA 0.180 4.351 4.170 0.002 0.000 0.288 910 I C -0.204 176.032 176.117 0.199 0.000 1.048 910 I CA -1.176 60.274 61.300 0.249 0.000 1.062 910 I CB 2.301 40.450 38.000 0.247 0.000 1.238 910 I HN -0.165 nan 8.210 nan 0.000 0.426 911 V N 7.357 127.415 119.914 0.239 0.000 2.644 911 V HA -0.039 4.082 4.120 0.002 0.000 0.305 911 V C 0.427 176.611 176.094 0.150 0.000 1.053 911 V CA 0.401 62.805 62.300 0.173 0.000 1.186 911 V CB 0.268 32.203 31.823 0.186 0.000 0.895 911 V HN 0.630 nan 8.190 nan 0.000 0.490 912 K N 6.299 126.760 120.400 0.102 0.000 2.322 912 K HA 0.137 4.458 4.320 0.002 0.000 0.283 912 K C -0.522 176.142 176.600 0.107 0.000 1.042 912 K CA -0.206 56.142 56.287 0.101 0.000 0.958 912 K CB 0.728 33.269 32.500 0.068 0.000 0.984 912 K HN 0.735 nan 8.250 nan 0.000 0.473 913 Y N 3.058 123.365 120.300 0.011 0.000 2.442 913 Y HA -0.047 4.504 4.550 0.001 0.000 0.330 913 Y C 0.612 176.514 175.900 0.002 0.000 1.129 913 Y CA 0.731 58.825 58.100 -0.010 0.000 1.365 913 Y CB 0.666 39.112 38.460 -0.023 0.000 1.233 913 Y HN 0.548 nan 8.280 nan 0.000 0.529 914 K N 3.949 123.951 120.400 -0.664 0.000 2.387 914 K HA 0.429 4.750 4.320 0.002 0.000 0.197 914 K C 0.317 176.598 176.600 -0.531 0.000 1.127 914 K CA 0.438 56.465 56.287 -0.433 0.000 0.950 914 K CB 0.839 33.181 32.500 -0.263 0.000 1.017 914 K HN 0.930 nan 8.250 nan 0.000 0.519 915 G N 0.587 108.746 108.800 -1.068 0.000 2.327 915 G HA2 0.232 4.193 3.960 0.002 0.000 0.291 915 G HA3 0.232 4.193 3.960 0.002 0.000 0.291 915 G C -1.703 172.961 174.900 -0.394 0.000 1.290 915 G CA -0.509 44.270 45.100 -0.536 0.000 0.857 915 G HN 0.007 nan 8.290 nan 0.000 0.520 916 V N -3.206 116.639 119.914 -0.115 0.000 2.960 916 V HA 0.864 4.985 4.120 0.002 0.000 0.315 916 V C -0.222 175.729 176.094 -0.238 0.000 1.087 916 V CA -0.952 61.196 62.300 -0.254 0.000 0.982 916 V CB 1.393 32.982 31.823 -0.389 0.000 1.039 916 V HN 1.629 nan 8.190 nan 0.000 0.437 917 C N 3.402 122.504 119.300 -0.330 0.000 2.381 917 C HA 0.809 5.270 4.460 0.002 0.000 0.328 917 C C -1.018 173.843 174.990 -0.215 0.000 1.190 917 C CA -0.377 58.543 59.018 -0.164 0.000 1.369 917 C CB -0.198 27.503 27.740 -0.065 0.000 2.029 917 C HN 0.842 nan 8.230 nan 0.000 0.448 918 Y N 3.214 123.551 120.300 0.061 0.000 2.457 918 Y HA 0.495 5.046 4.550 0.002 0.000 0.333 918 Y C 1.250 177.180 175.900 0.050 0.000 1.119 918 Y CA -0.348 57.781 58.100 0.050 0.000 1.143 918 Y CB 2.056 40.542 38.460 0.042 0.000 1.230 918 Y HN 0.633 nan 8.280 nan 0.000 0.469 919 S N -0.181 115.648 115.700 0.215 0.000 2.665 919 S HA 0.528 4.999 4.470 0.002 0.000 0.240 919 S C 0.430 175.086 174.600 0.094 0.000 1.081 919 S CA 0.450 58.725 58.200 0.125 0.000 0.887 919 S CB 0.539 63.793 63.200 0.089 0.000 0.805 919 S HN 0.735 nan 8.310 nan 0.000 0.486 920 A N 0.484 123.358 122.820 0.091 0.000 3.434 920 A HA 0.803 5.124 4.320 0.002 0.000 0.247 920 A C 1.218 178.812 177.584 0.017 0.000 1.075 920 A CA 0.192 52.257 52.037 0.047 0.000 0.737 920 A CB -0.570 18.455 19.000 0.041 0.000 1.412 920 A HN 0.224 nan 8.150 nan 0.000 0.691 921 G N -0.965 107.836 108.800 0.003 0.000 2.490 921 G HA2 0.101 4.062 3.960 0.002 0.000 0.211 921 G HA3 0.101 4.062 3.960 0.002 0.000 0.211 921 G C 1.132 176.026 174.900 -0.010 0.000 1.159 921 G CA 0.326 45.413 45.100 -0.022 0.000 0.819 921 G HN 0.409 nan 8.290 nan 0.000 0.539 922 R N 0.405 120.916 120.500 0.019 0.000 2.237 922 R HA 0.143 4.484 4.340 0.002 0.000 0.195 922 R C 1.307 177.648 176.300 0.068 0.000 0.956 922 R CA 0.370 56.492 56.100 0.036 0.000 1.029 922 R CB -0.296 30.024 30.300 0.034 0.000 0.972 922 R HN 0.526 nan 8.270 nan 0.000 0.493 923 R N 1.273 121.818 120.500 0.075 0.000 3.520 923 R HA -0.274 4.067 4.340 0.002 0.000 0.595 923 R C -0.024 176.341 176.300 0.107 0.000 0.241 923 R CA 1.922 58.087 56.100 0.109 0.000 1.835 923 R CB -1.340 29.072 30.300 0.186 0.000 0.891 923 R HN 0.353 nan 8.270 nan 0.000 0.612 924 N N -0.246 118.528 118.700 0.124 0.000 2.200 924 N HA 0.191 4.932 4.740 0.002 0.000 0.233 924 N C 0.078 175.677 175.510 0.148 0.000 1.236 924 N CA 0.318 53.432 53.050 0.108 0.000 0.845 924 N CB 0.029 38.557 38.487 0.068 0.000 1.257 924 N HN 0.692 nan 8.380 nan 0.000 0.472 925 L N 0.609 121.920 121.223 0.148 0.000 1.299 925 L HA -0.174 4.167 4.340 0.002 0.000 0.392 925 L C -1.422 175.551 176.870 0.170 0.000 1.003 925 L CA 0.895 55.799 54.840 0.106 0.000 1.227 925 L CB -0.295 41.828 42.059 0.106 0.000 0.619 925 L HN 0.415 nan 8.230 nan 0.000 0.333 926 K N 4.522 124.932 120.400 0.018 0.000 2.443 926 K HA 0.738 5.059 4.320 0.002 0.000 0.252 926 K C -1.173 175.375 176.600 -0.087 0.000 0.933 926 K CA -0.901 55.417 56.287 0.052 0.000 0.792 926 K CB 1.950 34.445 32.500 -0.008 0.000 1.185 926 K HN 0.517 nan 8.250 nan 0.000 0.425 927 L N 4.553 125.778 121.223 0.002 0.000 2.264 927 L HA 0.436 4.777 4.340 0.002 0.000 0.289 927 L C -1.036 175.742 176.870 -0.153 0.000 1.044 927 L CA -0.265 54.510 54.840 -0.108 0.000 0.807 927 L CB 0.555 42.590 42.059 -0.040 0.000 1.192 927 L HN 0.464 nan 8.230 nan 0.000 0.425 928 I N 6.264 126.632 120.570 -0.338 0.000 2.321 928 I HA 0.397 4.568 4.170 0.002 0.000 0.291 928 I C 0.030 175.902 176.117 -0.408 0.000 0.998 928 I CA -0.189 60.822 61.300 -0.482 0.000 1.227 928 I CB 0.932 38.341 38.000 -0.985 0.000 1.368 928 I HN 0.772 nan 8.210 nan 0.000 0.466 929 M N 4.488 123.947 119.600 -0.235 0.000 2.761 929 M HA 0.372 4.853 4.480 0.002 0.000 0.305 929 M C 0.098 176.353 176.300 -0.074 0.000 1.235 929 M CA -0.791 54.438 55.300 -0.117 0.000 0.850 929 M CB 2.555 35.152 32.600 -0.004 0.000 1.744 929 M HN 0.551 nan 8.290 nan 0.000 0.480 930 E N 0.650 120.840 120.200 -0.016 0.000 2.390 930 E HA 0.047 4.398 4.350 0.002 0.000 0.261 930 E C -1.510 175.135 176.600 0.074 0.000 1.076 930 E CA -0.377 56.040 56.400 0.028 0.000 0.905 930 E CB 0.691 30.411 29.700 0.033 0.000 0.984 930 E HN 0.559 nan 8.360 nan 0.000 0.427 931 Y N 3.439 123.721 120.300 -0.030 0.000 2.350 931 Y HA 0.281 4.832 4.550 0.002 0.000 0.340 931 Y C -0.954 174.934 175.900 -0.019 0.000 1.006 931 Y CA -0.761 57.321 58.100 -0.031 0.000 1.166 931 Y CB 0.588 39.024 38.460 -0.040 0.000 1.168 931 Y HN 0.453 nan 8.280 nan 0.000 0.502 932 L N 9.914 130.838 121.223 -0.498 0.000 2.262 932 L HA 0.320 4.661 4.340 0.002 0.000 0.288 932 L C -1.444 175.014 176.870 -0.688 0.000 1.035 932 L CA -1.780 52.815 54.840 -0.408 0.000 0.820 932 L CB 1.492 43.426 42.059 -0.208 0.000 1.204 932 L HN 0.594 nan 8.230 nan 0.000 0.424 933 P HA -0.152 nan 4.420 nan 0.000 0.223 933 P C 0.737 177.769 177.300 -0.446 0.000 1.151 933 P CA 1.144 63.920 63.100 -0.539 0.000 0.787 933 P CB 0.145 31.671 31.700 -0.289 0.000 0.788 934 Y N 0.228 120.364 120.300 -0.274 0.000 2.470 934 Y HA 0.344 4.895 4.550 0.003 0.000 0.284 934 Y C 1.854 177.655 175.900 -0.164 0.000 1.188 934 Y CA 0.484 58.446 58.100 -0.231 0.000 1.269 934 Y CB -0.501 37.671 38.460 -0.480 0.000 1.094 934 Y HN 0.055 nan 8.280 nan 0.000 0.518 935 G N 0.480 109.225 108.800 -0.091 0.000 2.645 935 G HA2 -0.298 3.663 3.960 0.002 0.000 0.246 935 G HA3 -0.298 3.663 3.960 0.002 0.000 0.246 935 G C 0.124 174.999 174.900 -0.041 0.000 1.322 935 G CA -0.312 44.758 45.100 -0.049 0.000 0.898 935 G HN 0.580 nan 8.290 nan 0.000 0.573 936 S N -0.853 114.846 115.700 -0.001 0.000 2.584 936 S HA 0.359 4.830 4.470 0.002 0.000 0.270 936 S C 1.516 176.130 174.600 0.023 0.000 1.346 936 S CA 0.348 58.546 58.200 -0.003 0.000 1.018 936 S CB 1.458 64.668 63.200 0.016 0.000 0.899 936 S HN 1.839 nan 8.310 nan 0.000 0.542 937 L N 1.377 122.594 121.223 -0.010 0.000 2.141 937 L HA 0.052 4.393 4.340 0.002 0.000 0.209 937 L C 2.676 179.594 176.870 0.081 0.000 1.094 937 L CA 1.684 56.527 54.840 0.004 0.000 0.763 937 L CB -1.030 40.988 42.059 -0.068 0.000 0.908 937 L HN 0.940 nan 8.230 nan 0.000 0.437 938 R N -0.526 120.019 120.500 0.075 0.000 2.080 938 R HA -0.180 4.161 4.340 0.002 0.000 0.236 938 R C 1.866 178.229 176.300 0.105 0.000 1.137 938 R CA 2.118 58.273 56.100 0.092 0.000 0.943 938 R CB -0.260 30.093 30.300 0.088 0.000 0.846 938 R HN 0.384 nan 8.270 nan 0.000 0.431 939 D N -0.716 119.751 120.400 0.112 0.000 2.117 939 D HA -0.173 4.467 4.640 0.002 0.000 0.198 939 D C 1.624 178.033 176.300 0.182 0.000 0.982 939 D CA 1.018 55.095 54.000 0.128 0.000 0.828 939 D CB -0.470 40.399 40.800 0.115 0.000 0.967 939 D HN 0.276 nan 8.370 nan 0.000 0.464 940 Y N 1.333 121.673 120.300 0.066 0.000 2.128 940 Y HA -0.199 4.351 4.550 0.001 0.000 0.284 940 Y C 2.175 178.154 175.900 0.132 0.000 1.154 940 Y CA 1.132 59.271 58.100 0.064 0.000 1.149 940 Y CB -0.503 37.924 38.460 -0.056 0.000 0.976 940 Y HN -0.075 nan 8.280 nan 0.000 0.505 941 L N 0.736 121.989 121.223 0.050 0.000 2.017 941 L HA -0.210 4.131 4.340 0.002 0.000 0.208 941 L C 2.558 179.465 176.870 0.062 0.000 1.073 941 L CA 2.292 57.139 54.840 0.012 0.000 0.745 941 L CB -1.123 40.965 42.059 0.049 0.000 0.894 941 L HN 0.440 nan 8.230 nan 0.000 0.432 942 Q N -0.702 119.148 119.800 0.083 0.000 2.197 942 Q HA -0.267 4.074 4.340 0.002 0.000 0.207 942 Q C 1.954 177.989 176.000 0.058 0.000 0.984 942 Q CA 2.112 57.964 55.803 0.081 0.000 0.869 942 Q CB 0.044 28.831 28.738 0.081 0.000 0.906 942 Q HN 0.533 nan 8.270 nan 0.000 0.426 943 K N -1.556 118.889 120.400 0.074 0.000 2.242 943 K HA 0.002 4.323 4.320 0.002 0.000 0.200 943 K C 0.565 177.085 176.600 -0.134 0.000 1.050 943 K CA 0.759 57.051 56.287 0.007 0.000 0.981 943 K CB 0.379 32.920 32.500 0.067 0.000 0.795 943 K HN 0.254 nan 8.250 nan 0.000 0.477 944 H N 0.693 119.649 119.070 -0.189 0.000 2.469 944 H HA 0.116 4.672 4.556 0.001 0.000 0.286 944 H C 0.799 176.054 175.328 -0.121 0.000 1.106 944 H CA -0.262 55.664 56.048 -0.203 0.000 1.055 944 H CB 0.222 29.739 29.762 -0.409 0.000 1.618 944 H HN 0.146 nan 8.280 nan 0.000 0.559 945 K N 1.051 121.475 120.400 0.040 0.000 2.173 945 K HA -0.236 4.085 4.320 0.002 0.000 0.207 945 K C 1.484 178.036 176.600 -0.080 0.000 1.046 945 K CA 1.845 58.171 56.287 0.064 0.000 0.929 945 K CB 0.064 32.589 32.500 0.042 0.000 0.720 945 K HN 0.362 nan 8.250 nan 0.000 0.453 946 E N 2.106 122.257 120.200 -0.083 0.000 2.204 946 E HA -0.184 4.167 4.350 0.002 0.000 0.194 946 E C 1.689 178.259 176.600 -0.051 0.000 0.989 946 E CA 1.109 57.452 56.400 -0.096 0.000 0.824 946 E CB -0.167 29.484 29.700 -0.083 0.000 0.756 946 E HN 0.517 nan 8.360 nan 0.000 0.477 947 R N 0.176 120.677 120.500 0.002 0.000 2.223 947 R HA 0.312 4.653 4.340 0.002 0.000 0.198 947 R C 0.644 176.974 176.300 0.050 0.000 0.984 947 R CA 0.135 56.257 56.100 0.036 0.000 1.018 947 R CB 0.168 30.521 30.300 0.088 0.000 0.945 947 R HN 0.107 nan 8.270 nan 0.000 0.479 948 I N 2.152 122.772 120.570 0.083 0.000 2.269 948 I HA 0.057 4.228 4.170 0.002 0.000 0.293 948 I C -0.015 176.195 176.117 0.155 0.000 1.106 948 I CA -0.532 60.845 61.300 0.128 0.000 1.248 948 I CB 0.540 38.648 38.000 0.180 0.000 1.444 948 I HN -0.083 nan 8.210 nan 0.000 0.497 949 D N 3.053 123.487 120.400 0.058 0.000 2.335 949 D HA -0.084 4.557 4.640 0.002 0.000 0.236 949 D C 1.281 177.656 176.300 0.125 0.000 1.297 949 D CA 0.472 54.495 54.000 0.038 0.000 0.906 949 D CB 0.602 41.404 40.800 0.003 0.000 1.164 949 D HN 0.370 nan 8.370 nan 0.000 0.469 950 H N 0.072 119.165 119.070 0.038 0.000 2.403 950 H HA 0.075 4.631 4.556 0.001 0.000 0.298 950 H C 2.032 177.370 175.328 0.017 0.000 1.059 950 H CA 0.468 56.541 56.048 0.041 0.000 1.363 950 H CB -0.185 29.692 29.762 0.191 0.000 1.410 950 H HN 0.286 nan 8.280 nan 0.000 0.528 951 I N 0.678 121.328 120.570 0.134 0.000 2.208 951 I HA -0.273 3.898 4.170 0.002 0.000 0.245 951 I C 2.430 178.514 176.117 -0.056 0.000 1.097 951 I CA 1.412 62.741 61.300 0.047 0.000 1.363 951 I CB -0.078 37.939 38.000 0.028 0.000 1.051 951 I HN 0.037 nan 8.210 nan 0.000 0.413 952 K N 0.554 120.875 120.400 -0.132 0.000 2.057 952 K HA -0.145 4.176 4.320 0.002 0.000 0.206 952 K C 1.920 178.147 176.600 -0.621 0.000 1.050 952 K CA 1.497 57.568 56.287 -0.359 0.000 0.935 952 K CB -0.545 31.782 32.500 -0.289 0.000 0.715 952 K HN 0.036 nan 8.250 nan 0.000 0.439 953 L N 0.307 121.313 121.223 -0.363 0.000 2.042 953 L HA -0.123 4.218 4.340 0.002 0.000 0.210 953 L C 1.993 178.804 176.870 -0.098 0.000 1.076 953 L CA 1.426 56.089 54.840 -0.296 0.000 0.749 953 L CB -0.755 41.007 42.059 -0.495 0.000 0.893 953 L HN 0.200 nan 8.230 nan 0.000 0.432 954 L N -1.091 120.124 121.223 -0.013 0.000 2.156 954 L HA -0.167 4.174 4.340 0.002 0.000 0.208 954 L C 2.526 179.426 176.870 0.050 0.000 1.095 954 L CA 1.395 56.290 54.840 0.092 0.000 0.770 954 L CB -0.885 41.244 42.059 0.118 0.000 0.914 954 L HN 0.455 nan 8.230 nan 0.000 0.439 955 Q N -1.726 118.039 119.800 -0.058 0.000 2.119 955 Q HA -0.233 4.108 4.340 0.002 0.000 0.201 955 Q C 2.105 178.160 176.000 0.092 0.000 0.972 955 Q CA 1.591 57.376 55.803 -0.031 0.000 0.847 955 Q CB -0.075 28.586 28.738 -0.128 0.000 0.903 955 Q HN 0.415 nan 8.270 nan 0.000 0.433 956 Y N 0.400 120.734 120.300 0.057 0.000 2.200 956 Y HA -0.123 4.429 4.550 0.003 0.000 0.290 956 Y C 2.584 178.550 175.900 0.109 0.000 1.137 956 Y CA 1.473 59.608 58.100 0.059 0.000 1.163 956 Y CB -1.044 37.437 38.460 0.036 0.000 0.988 956 Y HN 0.123 nan 8.280 nan 0.000 0.518 957 T N -0.693 114.043 114.554 0.303 0.000 2.635 957 T HA -0.266 4.085 4.350 0.002 0.000 0.267 957 T C 2.261 177.140 174.700 0.298 0.000 1.040 957 T CA 2.010 64.323 62.100 0.353 0.000 1.156 957 T CB -0.687 68.387 68.868 0.343 0.000 0.863 957 T HN 0.397 nan 8.240 nan 0.000 0.430 958 S N 0.650 116.471 115.700 0.202 0.000 2.383 958 S HA -0.187 4.284 4.470 0.002 0.000 0.229 958 S C 2.145 176.816 174.600 0.118 0.000 1.030 958 S CA 1.474 59.753 58.200 0.133 0.000 1.002 958 S CB -0.353 62.909 63.200 0.103 0.000 0.829 958 S HN 0.549 nan 8.310 nan 0.000 0.467 959 Q N -0.016 119.871 119.800 0.145 0.000 2.123 959 Q HA 0.047 4.387 4.340 0.002 0.000 0.199 959 Q C 2.194 178.253 176.000 0.098 0.000 0.966 959 Q CA 1.598 57.479 55.803 0.130 0.000 0.845 959 Q CB -0.226 28.599 28.738 0.146 0.000 0.907 959 Q HN 0.615 nan 8.270 nan 0.000 0.439 960 I N -0.068 120.574 120.570 0.120 0.000 2.179 960 I HA -0.353 3.818 4.170 0.002 0.000 0.242 960 I C 2.369 178.450 176.117 -0.060 0.000 1.088 960 I CA 0.762 62.110 61.300 0.080 0.000 1.357 960 I CB -0.398 37.739 38.000 0.228 0.000 1.051 960 I HN 0.313 nan 8.210 nan 0.000 0.409 961 C N 0.986 120.249 119.300 -0.062 0.000 2.398 961 C HA -0.201 4.260 4.460 0.002 0.000 0.276 961 C C 2.809 177.722 174.990 -0.129 0.000 1.222 961 C CA 1.101 60.031 59.018 -0.146 0.000 1.746 961 C CB -1.021 26.676 27.740 -0.071 0.000 2.039 961 C HN 0.437 nan 8.230 nan 0.000 0.470 962 K N 0.333 120.713 120.400 -0.032 0.000 2.026 962 K HA -0.078 4.243 4.320 0.002 0.000 0.208 962 K C 2.265 178.763 176.600 -0.170 0.000 1.048 962 K CA 1.668 57.956 56.287 0.001 0.000 0.929 962 K CB -0.577 32.002 32.500 0.131 0.000 0.713 962 K HN 0.596 nan 8.250 nan 0.000 0.439 963 G N 1.174 109.841 108.800 -0.221 0.000 2.440 963 G HA2 -0.247 3.714 3.960 0.002 0.000 0.218 963 G HA3 -0.247 3.714 3.960 0.002 0.000 0.218 963 G C 1.453 176.207 174.900 -0.243 0.000 1.154 963 G CA 0.713 45.610 45.100 -0.339 0.000 0.767 963 G HN 0.057 nan 8.290 nan 0.000 0.552 964 M N 0.450 119.832 119.600 -0.363 0.000 2.132 964 M HA 0.018 4.499 4.480 0.002 0.000 0.263 964 M C 2.248 178.264 176.300 -0.474 0.000 1.065 964 M CA 1.001 55.932 55.300 -0.615 0.000 1.122 964 M CB -1.096 30.599 32.600 -1.509 0.000 1.365 964 M HN 0.430 nan 8.290 nan 0.000 0.411 965 E N -0.839 119.174 120.200 -0.313 0.000 2.110 965 E HA -0.251 4.100 4.350 0.002 0.000 0.193 965 E C 2.031 178.613 176.600 -0.029 0.000 0.988 965 E CA 1.166 57.536 56.400 -0.050 0.000 0.804 965 E CB -0.155 29.569 29.700 0.041 0.000 0.745 965 E HN 0.489 nan 8.360 nan 0.000 0.458 966 Y N 0.699 120.886 120.300 -0.188 0.000 2.200 966 Y HA -0.201 4.350 4.550 0.002 0.000 0.290 966 Y C 1.990 177.809 175.900 -0.134 0.000 1.137 966 Y CA 1.150 59.151 58.100 -0.165 0.000 1.163 966 Y CB -0.343 37.926 38.460 -0.318 0.000 0.988 966 Y HN 0.072 nan 8.280 nan 0.000 0.518 967 L N 0.360 121.459 121.223 -0.208 0.000 1.989 967 L HA -0.123 4.218 4.340 0.002 0.000 0.211 967 L C 2.705 179.455 176.870 -0.199 0.000 1.071 967 L CA 2.321 57.064 54.840 -0.162 0.000 0.749 967 L CB -1.414 40.684 42.059 0.066 0.000 0.890 967 L HN 0.374 nan 8.230 nan 0.000 0.431 968 G N -2.156 106.585 108.800 -0.098 0.000 2.462 968 G HA2 -0.323 3.638 3.960 0.002 0.000 0.220 968 G HA3 -0.323 3.638 3.960 0.002 0.000 0.220 968 G C 1.514 176.347 174.900 -0.110 0.000 1.121 968 G CA 1.394 46.473 45.100 -0.035 0.000 0.758 968 G HN 0.515 nan 8.290 nan 0.000 0.559 969 T N -1.317 113.121 114.554 -0.193 0.000 2.951 969 T HA 0.074 4.424 4.350 0.002 0.000 0.268 969 T C 1.983 176.500 174.700 -0.304 0.000 1.073 969 T CA 0.960 62.940 62.100 -0.200 0.000 1.134 969 T CB -0.012 68.751 68.868 -0.174 0.000 0.884 969 T HN 0.166 nan 8.240 nan 0.000 0.479 970 K N 0.904 120.996 120.400 -0.514 0.000 2.404 970 K HA 0.227 4.548 4.320 0.002 0.000 0.194 970 K C 0.404 176.627 176.600 -0.627 0.000 1.023 970 K CA -0.107 55.729 56.287 -0.750 0.000 1.094 970 K CB 0.109 31.771 32.500 -1.397 0.000 0.841 970 K HN 0.432 nan 8.250 nan 0.000 0.523 971 R N 0.397 120.715 120.500 -0.303 0.000 3.651 971 R HA -0.162 4.178 4.340 0.002 0.000 0.292 971 R C -0.940 175.430 176.300 0.117 0.000 1.161 971 R CA 0.521 56.579 56.100 -0.070 0.000 0.787 971 R CB -2.031 28.251 30.300 -0.030 0.000 1.249 971 R HN 0.078 nan 8.270 nan 0.000 0.476 972 Y N 0.562 120.853 120.300 -0.014 0.000 2.323 972 Y HA 0.406 4.957 4.550 0.001 0.000 0.331 972 Y C 0.945 176.891 175.900 0.076 0.000 1.092 972 Y CA -1.731 56.379 58.100 0.017 0.000 1.150 972 Y CB 0.846 39.303 38.460 -0.005 0.000 1.200 972 Y HN -0.050 nan 8.280 nan 0.000 0.472 973 I N 3.751 124.470 120.570 0.248 0.000 2.362 973 I HA 0.113 4.284 4.170 0.002 0.000 0.289 973 I C 1.307 177.546 176.117 0.204 0.000 0.994 973 I CA -0.717 60.718 61.300 0.225 0.000 1.158 973 I CB 1.013 39.128 38.000 0.191 0.000 1.315 973 I HN 0.766 nan 8.210 nan 0.000 0.451 974 H N 7.678 126.855 119.070 0.178 0.000 2.299 974 H HA -0.014 4.544 4.556 0.002 0.000 0.302 974 H C 0.552 175.934 175.328 0.090 0.000 1.078 974 H CA 1.946 58.085 56.048 0.151 0.000 1.323 974 H CB 0.562 30.408 29.762 0.141 0.000 1.381 974 H HN 0.587 nan 8.280 nan 0.000 0.498 975 R N -0.610 120.040 120.500 0.250 0.000 3.922 975 R HA -0.185 4.156 4.340 0.002 0.000 0.447 975 R C -0.460 175.993 176.300 0.255 0.000 1.035 975 R CA 1.154 57.347 56.100 0.155 0.000 1.289 975 R CB -1.552 28.617 30.300 -0.218 0.000 1.906 975 R HN 0.350 nan 8.270 nan 0.000 0.540 976 D N -0.071 120.578 120.400 0.416 0.000 2.914 976 D HA 0.154 4.795 4.640 0.002 0.000 0.349 976 D C -1.130 175.372 176.300 0.337 0.000 1.540 976 D CA -0.377 53.806 54.000 0.304 0.000 0.778 976 D CB 0.391 41.249 40.800 0.096 0.000 1.213 976 D HN -0.055 nan 8.370 nan 0.000 0.451 977 L N 1.772 123.194 121.223 0.331 0.000 2.500 977 L HA 0.614 4.955 4.340 0.002 0.000 0.272 977 L C -0.032 176.962 176.870 0.207 0.000 1.149 977 L CA 0.170 55.098 54.840 0.145 0.000 0.897 977 L CB 0.100 42.307 42.059 0.248 0.000 1.178 977 L HN 0.263 nan 8.230 nan 0.000 0.473 978 A N 2.228 125.099 122.820 0.086 0.000 2.608 978 A HA 0.484 4.805 4.320 0.002 0.000 0.292 978 A C 0.781 178.419 177.584 0.089 0.000 1.066 978 A CA 0.092 52.176 52.037 0.080 0.000 0.676 978 A CB 0.659 19.430 19.000 -0.382 0.000 1.277 978 A HN 0.714 nan 8.150 nan 0.000 0.413 979 T N -0.721 113.933 114.554 0.165 0.000 2.803 979 T HA -0.234 4.117 4.350 0.002 0.000 0.269 979 T C 1.600 176.328 174.700 0.048 0.000 1.052 979 T CA 1.756 63.920 62.100 0.106 0.000 1.136 979 T CB -0.550 68.400 68.868 0.136 0.000 0.864 979 T HN 0.887 nan 8.240 nan 0.000 0.467 980 R N 1.577 122.092 120.500 0.025 0.000 2.193 980 R HA 0.034 4.375 4.340 0.002 0.000 0.229 980 R C 1.237 177.525 176.300 -0.019 0.000 1.110 980 R CA 1.379 57.479 56.100 -0.001 0.000 0.988 980 R CB -0.550 29.734 30.300 -0.027 0.000 0.871 980 R HN 0.329 nan 8.270 nan 0.000 0.458 981 N N 0.449 119.131 118.700 -0.031 0.000 2.230 981 N HA 0.207 4.948 4.740 0.002 0.000 0.202 981 N C -0.409 175.063 175.510 -0.063 0.000 1.119 981 N CA 0.193 53.218 53.050 -0.043 0.000 0.851 981 N CB 0.663 39.135 38.487 -0.024 0.000 0.990 981 N HN 0.211 nan 8.380 nan 0.000 0.497 982 I N 1.195 121.737 120.570 -0.046 0.000 2.404 982 I HA 0.293 4.464 4.170 0.002 0.000 0.293 982 I C -0.250 175.826 176.117 -0.069 0.000 0.992 982 I CA -0.540 60.726 61.300 -0.056 0.000 1.149 982 I CB 1.751 39.728 38.000 -0.038 0.000 1.315 982 I HN -0.295 nan 8.210 nan 0.000 0.446 983 L N 6.174 127.348 121.223 -0.081 0.000 2.334 983 L HA 0.590 4.931 4.340 0.002 0.000 0.272 983 L C -0.634 176.134 176.870 -0.171 0.000 1.020 983 L CA -1.081 53.694 54.840 -0.107 0.000 0.812 983 L CB 1.970 43.978 42.059 -0.084 0.000 1.264 983 L HN 0.225 nan 8.230 nan 0.000 0.439 984 V N 1.433 121.216 119.914 -0.219 0.000 2.311 984 V HA 0.108 4.229 4.120 0.002 0.000 0.275 984 V C 0.830 176.795 176.094 -0.214 0.000 1.022 984 V CA -0.284 61.812 62.300 -0.340 0.000 0.830 984 V CB 1.050 32.498 31.823 -0.625 0.000 1.012 984 V HN 0.899 nan 8.190 nan 0.000 0.452 985 E N 4.887 124.981 120.200 -0.176 0.000 2.046 985 E HA -0.097 4.254 4.350 0.002 0.000 0.190 985 E C 0.635 177.215 176.600 -0.032 0.000 0.982 985 E CA 1.415 57.765 56.400 -0.084 0.000 0.800 985 E CB 0.374 30.037 29.700 -0.062 0.000 0.756 985 E HN 0.928 nan 8.360 nan 0.000 0.449 986 N N -1.362 117.222 118.700 -0.194 0.000 2.934 986 N HA -0.048 4.693 4.740 0.002 0.000 0.253 986 N C 0.362 175.552 175.510 -0.533 0.000 1.466 986 N CA -0.210 52.631 53.050 -0.349 0.000 0.858 986 N CB 0.691 39.107 38.487 -0.118 0.000 1.459 986 N HN -0.118 nan 8.380 nan 0.000 0.532 987 E N 0.199 120.056 120.200 -0.570 0.000 2.187 987 E HA -0.270 4.081 4.350 0.002 0.000 0.199 987 E C -0.235 176.368 176.600 0.004 0.000 1.004 987 E CA 1.672 57.899 56.400 -0.288 0.000 0.813 987 E CB -0.667 28.940 29.700 -0.156 0.000 0.736 987 E HN 0.659 nan 8.360 nan 0.000 0.468 988 N N 0.456 119.149 118.700 -0.011 0.000 2.230 988 N HA 0.102 4.843 4.740 0.002 0.000 0.202 988 N C -0.193 175.371 175.510 0.090 0.000 1.119 988 N CA 0.010 53.100 53.050 0.067 0.000 0.851 988 N CB 1.011 39.508 38.487 0.016 0.000 0.990 988 N HN 0.113 nan 8.380 nan 0.000 0.497 989 R N 0.967 121.481 120.500 0.023 0.000 2.515 989 R HA 0.293 4.634 4.340 0.002 0.000 0.278 989 R C -1.353 174.874 176.300 -0.121 0.000 1.107 989 R CA -0.491 55.604 56.100 -0.008 0.000 0.945 989 R CB 1.770 32.059 30.300 -0.018 0.000 1.219 989 R HN -0.080 nan 8.270 nan 0.000 0.434 990 V N 0.102 119.957 119.914 -0.097 0.000 2.769 990 V HA 0.723 4.844 4.120 0.002 0.000 0.312 990 V C -0.806 175.262 176.094 -0.043 0.000 1.058 990 V CA -0.785 61.419 62.300 -0.159 0.000 0.952 990 V CB 2.033 33.697 31.823 -0.264 0.000 1.019 990 V HN 0.690 nan 8.190 nan 0.000 0.445 991 K N 3.346 123.722 120.400 -0.039 0.000 2.464 991 K HA 0.607 4.927 4.320 0.002 0.000 0.253 991 K C -1.191 175.425 176.600 0.027 0.000 0.933 991 K CA -0.819 55.486 56.287 0.029 0.000 0.801 991 K CB 2.796 35.324 32.500 0.047 0.000 1.271 991 K HN 0.719 nan 8.250 nan 0.000 0.430 992 I N 1.532 122.146 120.570 0.073 0.000 2.517 992 I HA 0.027 4.198 4.170 0.002 0.000 0.285 992 I C 1.224 177.373 176.117 0.053 0.000 1.106 992 I CA 0.457 61.764 61.300 0.011 0.000 1.402 992 I CB 0.592 38.613 38.000 0.034 0.000 1.399 992 I HN 0.888 nan 8.210 nan 0.000 0.535 993 G N 4.199 112.959 108.800 -0.067 0.000 3.324 993 G HA2 0.157 4.118 3.960 0.002 0.000 0.251 993 G HA3 0.157 4.118 3.960 0.002 0.000 0.251 993 G C -0.319 174.559 174.900 -0.036 0.000 1.072 993 G CA 0.048 45.151 45.100 0.005 0.000 0.787 993 G HN 0.650 nan 8.290 nan 0.000 0.537 994 D N -1.350 118.877 120.400 -0.289 0.000 2.803 994 D HA 0.490 5.131 4.640 0.002 0.000 0.218 994 D C -0.936 175.000 176.300 -0.606 0.000 1.245 994 D CA -0.656 53.219 54.000 -0.208 0.000 0.821 994 D CB 1.299 42.053 40.800 -0.077 0.000 1.626 994 D HN -0.099 nan 8.370 nan 0.000 0.487 995 F N 1.694 121.660 119.950 0.026 0.000 2.815 995 F HA 0.333 4.861 4.527 0.001 0.000 0.335 995 F C 1.790 177.543 175.800 -0.078 0.000 1.179 995 F CA -0.570 57.376 58.000 -0.090 0.000 1.204 995 F CB 1.187 40.163 39.000 -0.041 0.000 1.050 995 F HN 0.531 nan 8.300 nan 0.000 0.510 996 G N 0.641 109.476 108.800 0.058 0.000 2.469 996 G HA2 -0.197 3.764 3.960 0.002 0.000 0.220 996 G HA3 -0.197 3.764 3.960 0.002 0.000 0.220 996 G C 1.382 176.390 174.900 0.181 0.000 1.136 996 G CA 0.928 46.130 45.100 0.170 0.000 0.759 996 G HN 0.399 nan 8.290 nan 0.000 0.562 997 L N 0.708 121.929 121.223 -0.003 0.000 2.640 997 L HA 0.164 4.505 4.340 0.002 0.000 0.230 997 L C 0.593 177.382 176.870 -0.136 0.000 1.123 997 L CA -0.267 54.527 54.840 -0.077 0.000 0.900 997 L CB 0.072 42.057 42.059 -0.122 0.000 1.146 997 L HN -0.034 nan 8.230 nan 0.000 0.484 998 T N 2.110 116.583 114.554 -0.135 0.000 2.902 998 T HA 0.109 4.460 4.350 0.002 0.000 0.301 998 T C 0.294 174.941 174.700 -0.088 0.000 1.012 998 T CA 0.308 62.349 62.100 -0.099 0.000 1.151 998 T CB 0.667 69.531 68.868 -0.006 0.000 0.946 998 T HN -0.013 nan 8.240 nan 0.000 0.542 999 K N 2.182 122.545 120.400 -0.061 0.000 2.318 999 K HA 0.551 4.872 4.320 0.002 0.000 0.249 999 K C -0.830 175.775 176.600 0.008 0.000 0.942 999 K CA -0.796 55.464 56.287 -0.044 0.000 0.808 999 K CB 2.413 34.894 32.500 -0.031 0.000 1.189 999 K HN 0.302 nan 8.250 nan 0.000 0.428 1000 V N 2.959 122.881 119.914 0.013 0.000 2.439 1000 V HA 0.184 4.305 4.120 0.002 0.000 0.282 1000 V C 0.250 176.405 176.094 0.101 0.000 1.039 1000 V CA -0.988 61.386 62.300 0.123 0.000 0.913 1000 V CB 1.149 33.037 31.823 0.108 0.000 0.983 1000 V HN 0.486 nan 8.190 nan 0.000 0.460 1001 L N 8.466 129.761 121.223 0.121 0.000 2.456 1001 L HA 0.330 4.671 4.340 0.002 0.000 0.272 1001 L C -1.560 175.347 176.870 0.062 0.000 1.189 1001 L CA -1.276 53.615 54.840 0.085 0.000 0.846 1001 L CB 0.049 42.156 42.059 0.080 0.000 1.111 1001 L HN 0.508 nan 8.230 nan 0.000 0.475 1002 P HA 0.061 nan 4.420 nan 0.000 0.272 1002 P C -0.116 177.202 177.300 0.029 0.000 1.230 1002 P CA -0.337 62.784 63.100 0.034 0.000 0.788 1002 P CB 0.541 32.258 31.700 0.029 0.000 0.949 1003 Q N 0.168 119.981 119.800 0.022 0.000 2.297 1003 Q HA -0.121 4.220 4.340 0.002 0.000 0.204 1003 Q C 1.245 177.253 176.000 0.013 0.000 0.962 1003 Q CA 1.367 57.179 55.803 0.016 0.000 0.879 1003 Q CB -0.030 28.715 28.738 0.011 0.000 0.947 1003 Q HN 0.603 nan 8.270 nan 0.000 0.462 1004 D N -0.991 119.417 120.400 0.014 0.000 2.369 1004 D HA 0.028 4.669 4.640 0.002 0.000 0.211 1004 D C 0.244 176.552 176.300 0.013 0.000 1.077 1004 D CA 0.242 54.248 54.000 0.011 0.000 0.842 1004 D CB 0.504 41.310 40.800 0.009 0.000 0.947 1004 D HN -0.120 nan 8.370 nan 0.000 0.509 1005 K N 0.333 120.743 120.400 0.018 0.000 2.443 1005 K HA 0.381 4.702 4.320 0.002 0.000 0.251 1005 K C -0.054 176.562 176.600 0.027 0.000 0.972 1005 K CA -0.587 55.712 56.287 0.020 0.000 0.833 1005 K CB 2.670 35.183 32.500 0.021 0.000 1.317 1005 K HN -0.094 nan 8.250 nan 0.000 0.441 1010 V N 4.362 124.393 119.914 0.196 0.000 2.891 1010 V HA 0.408 4.529 4.120 0.002 0.000 0.304 1010 V C -0.306 175.866 176.094 0.130 0.000 1.171 1010 V CA -0.673 61.687 62.300 0.100 0.000 0.943 1010 V CB 1.737 33.554 31.823 -0.011 0.000 1.037 1010 V HN 0.752 nan 8.190 nan 0.000 0.427 1011 K N 5.795 126.232 120.400 0.061 0.000 2.867 1011 K HA 0.232 4.553 4.320 0.002 0.000 0.318 1011 K C 0.487 177.109 176.600 0.036 0.000 1.081 1011 K CA 1.059 57.377 56.287 0.051 0.000 1.275 1011 K CB -0.046 32.464 32.500 0.015 0.000 1.472 1011 K HN 0.824 nan 8.250 nan 0.000 0.514 1012 E N -0.396 119.802 120.200 -0.003 0.000 3.762 1012 E HA 0.122 4.473 4.350 0.002 0.000 0.198 1012 E C -0.976 175.580 176.600 -0.075 0.000 1.298 1012 E CA -0.437 55.943 56.400 -0.033 0.000 1.439 1012 E CB -0.682 29.009 29.700 -0.014 0.000 2.030 1012 E HN 0.444 nan 8.360 nan 0.000 0.547 1013 P HA 0.246 nan 4.420 nan 0.000 0.245 1013 P C 0.937 178.208 177.300 -0.048 0.000 1.199 1013 P CA 0.836 63.905 63.100 -0.051 0.000 0.807 1013 P CB 0.459 32.126 31.700 -0.057 0.000 1.002 1014 G N 0.626 109.387 108.800 -0.064 0.000 3.142 1014 G HA2 0.100 4.061 3.960 0.002 0.000 0.178 1014 G HA3 0.100 4.061 3.960 0.002 0.000 0.178 1014 G C -0.546 174.315 174.900 -0.064 0.000 1.941 1014 G CA -0.035 45.029 45.100 -0.060 0.000 0.902 1014 G HN 0.099 nan 8.290 nan 0.000 0.517 1015 E N 0.149 120.300 120.200 -0.080 0.000 2.146 1015 E HA 0.593 4.944 4.350 0.002 0.000 0.282 1015 E C -0.609 175.918 176.600 -0.122 0.000 0.989 1015 E CA -0.064 56.283 56.400 -0.088 0.000 0.799 1015 E CB 1.644 31.303 29.700 -0.068 0.000 1.088 1015 E HN 0.162 nan 8.360 nan 0.000 0.397 1016 S N 3.648 119.258 115.700 -0.151 0.000 2.565 1016 S HA 0.441 4.912 4.470 0.002 0.000 0.290 1016 S C -2.244 172.133 174.600 -0.371 0.000 1.150 1016 S CA -1.399 56.664 58.200 -0.229 0.000 1.058 1016 S CB 1.028 64.116 63.200 -0.187 0.000 1.032 1016 S HN 0.373 nan 8.310 nan 0.000 0.510 1017 P HA 0.155 nan 4.420 nan 0.000 0.230 1017 P C 1.014 178.042 177.300 -0.454 0.000 1.791 1017 P CA -0.163 62.740 63.100 -0.327 0.000 1.020 1017 P CB -0.871 30.678 31.700 -0.252 0.000 1.977 1018 I N -3.124 117.080 120.570 -0.610 0.000 2.185 1018 I HA -0.293 3.878 4.170 0.002 0.000 0.246 1018 I C 1.294 177.196 176.117 -0.359 0.000 1.088 1018 I CA 1.727 62.634 61.300 -0.656 0.000 1.347 1018 I CB -1.242 36.343 38.000 -0.691 0.000 1.041 1018 I HN -0.141 nan 8.210 nan 0.000 0.415 1019 F N -0.050 119.984 119.950 0.141 0.000 2.641 1019 F HA -0.033 4.495 4.527 0.001 0.000 0.298 1019 F C 1.992 177.900 175.800 0.179 0.000 1.146 1019 F CA 0.690 58.762 58.000 0.119 0.000 1.464 1019 F CB -0.709 38.405 39.000 0.189 0.000 1.101 1019 F HN 0.272 nan 8.300 nan 0.000 0.585 1020 W N -2.330 119.127 121.300 0.261 0.000 3.107 1020 W HA 0.083 4.744 4.660 0.001 0.000 0.293 1020 W C 0.151 176.992 176.519 0.537 0.000 1.239 1020 W CA -0.326 57.256 57.345 0.396 0.000 1.653 1020 W CB -0.026 29.642 29.460 0.346 0.000 1.068 1020 W HN -0.218 nan 8.180 nan 0.000 0.615 1021 Y N 1.492 121.996 120.300 0.340 0.000 2.411 1021 Y HA 0.265 4.816 4.550 0.001 0.000 0.333 1021 Y C 0.896 176.556 175.900 -0.400 0.000 1.186 1021 Y CA -1.128 57.011 58.100 0.065 0.000 1.381 1021 Y CB 0.030 38.468 38.460 -0.038 0.000 1.273 1021 Y HN -0.241 nan 8.280 nan 0.000 0.546 1022 A N 6.092 128.543 122.820 -0.615 0.000 2.386 1022 A HA 0.309 4.630 4.320 0.002 0.000 0.248 1022 A C -1.498 175.507 177.584 -0.965 0.000 1.082 1022 A CA -1.275 49.903 52.037 -1.432 0.000 0.789 1022 A CB -0.041 18.517 19.000 -0.736 0.000 1.025 1022 A HN 0.567 nan 8.150 nan 0.000 0.490 1023 P HA -0.245 nan 4.420 nan 0.000 0.216 1023 P C 1.331 178.389 177.300 -0.402 0.000 1.154 1023 P CA 1.815 64.582 63.100 -0.555 0.000 0.865 1023 P CB 0.048 31.485 31.700 -0.437 0.000 0.789 1024 E N -0.172 119.787 120.200 -0.402 0.000 2.204 1024 E HA -0.115 4.236 4.350 0.002 0.000 0.195 1024 E C 1.608 177.953 176.600 -0.426 0.000 0.990 1024 E CA 1.455 57.656 56.400 -0.331 0.000 0.821 1024 E CB -1.206 28.335 29.700 -0.265 0.000 0.750 1024 E HN 0.176 nan 8.360 nan 0.000 0.477 1025 S N 0.710 116.050 115.700 -0.600 0.000 2.406 1025 S HA -0.024 4.447 4.470 0.002 0.000 0.228 1025 S C 1.836 176.164 174.600 -0.453 0.000 1.020 1025 S CA 0.543 58.209 58.200 -0.890 0.000 0.965 1025 S CB -0.097 62.318 63.200 -1.309 0.000 0.798 1025 S HN 0.100 nan 8.310 nan 0.000 0.488 1026 L N 1.956 123.019 121.223 -0.266 0.000 2.005 1026 L HA -0.058 4.283 4.340 0.002 0.000 0.207 1026 L C 2.886 179.688 176.870 -0.112 0.000 1.072 1026 L CA 2.208 56.985 54.840 -0.105 0.000 0.744 1026 L CB -1.940 40.030 42.059 -0.148 0.000 0.895 1026 L HN 0.505 nan 8.230 nan 0.000 0.433 1027 T N -3.372 111.089 114.554 -0.154 0.000 2.706 1027 T HA -0.099 4.252 4.350 0.002 0.000 0.255 1027 T C 1.628 176.265 174.700 -0.105 0.000 1.048 1027 T CA 0.963 62.995 62.100 -0.113 0.000 1.153 1027 T CB -0.387 68.409 68.868 -0.119 0.000 0.865 1027 T HN 0.285 nan 8.240 nan 0.000 0.414 1028 E N 1.002 121.115 120.200 -0.146 0.000 2.474 1028 E HA 0.262 4.613 4.350 0.002 0.000 0.194 1028 E C 0.453 176.971 176.600 -0.137 0.000 1.041 1028 E CA 0.147 56.470 56.400 -0.127 0.000 0.874 1028 E CB 0.151 29.772 29.700 -0.131 0.000 0.914 1028 E HN 0.376 nan 8.360 nan 0.000 0.498 1029 S N 0.385 115.964 115.700 -0.202 0.000 3.561 1029 S HA -0.183 4.288 4.470 0.002 0.000 0.318 1029 S C -0.104 174.318 174.600 -0.297 0.000 1.181 1029 S CA 0.752 58.844 58.200 -0.181 0.000 0.916 1029 S CB -1.102 62.115 63.200 0.029 0.000 0.966 1029 S HN 0.248 nan 8.310 nan 0.000 0.550 1030 K N 0.431 120.540 120.400 -0.486 0.000 2.227 1030 K HA 0.539 4.860 4.320 0.002 0.000 0.280 1030 K C -0.601 175.590 176.600 -0.681 0.000 1.041 1030 K CA 0.051 56.113 56.287 -0.374 0.000 0.905 1030 K CB 0.490 32.852 32.500 -0.230 0.000 1.068 1030 K HN 0.153 nan 8.250 nan 0.000 0.470 1031 F N 1.348 121.245 119.950 -0.088 0.000 2.493 1031 F HA 0.347 4.875 4.527 0.001 0.000 0.329 1031 F C 0.403 176.201 175.800 -0.004 0.000 1.126 1031 F CA -0.589 57.372 58.000 -0.065 0.000 0.937 1031 F CB 1.934 40.893 39.000 -0.068 0.000 1.146 1031 F HN 0.482 nan 8.300 nan 0.000 0.442 1032 S N 0.562 116.361 115.700 0.165 0.000 2.671 1032 S HA 0.503 4.973 4.470 0.002 0.000 0.277 1032 S C 0.180 174.893 174.600 0.189 0.000 1.165 1032 S CA -0.813 57.471 58.200 0.141 0.000 0.822 1032 S CB 1.336 64.579 63.200 0.071 0.000 1.150 1032 S HN 0.230 nan 8.310 nan 0.000 0.479 1033 V N 1.353 121.376 119.914 0.183 0.000 2.324 1033 V HA -0.193 3.928 4.120 0.002 0.000 0.250 1033 V C 3.028 179.241 176.094 0.199 0.000 1.060 1033 V CA 2.738 65.182 62.300 0.240 0.000 1.042 1033 V CB -1.637 30.302 31.823 0.194 0.000 0.650 1033 V HN 1.011 nan 8.190 nan 0.000 0.450 1034 A N 0.490 123.380 122.820 0.117 0.000 1.972 1034 A HA -0.212 4.109 4.320 0.002 0.000 0.219 1034 A C 2.509 180.196 177.584 0.173 0.000 1.169 1034 A CA 2.291 54.385 52.037 0.094 0.000 0.635 1034 A CB -0.654 18.383 19.000 0.062 0.000 0.810 1034 A HN 0.718 nan 8.150 nan 0.000 0.446 1035 S N -0.518 115.282 115.700 0.166 0.000 2.436 1035 S HA -0.108 4.363 4.470 0.002 0.000 0.228 1035 S C 1.343 176.166 174.600 0.373 0.000 1.014 1035 S CA 1.142 59.458 58.200 0.193 0.000 0.950 1035 S CB -0.322 62.879 63.200 0.001 0.000 0.784 1035 S HN 0.449 nan 8.310 nan 0.000 0.504 1036 D N 1.741 122.378 120.400 0.395 0.000 2.117 1036 D HA -0.009 4.632 4.640 0.002 0.000 0.198 1036 D C 2.078 178.743 176.300 0.609 0.000 0.982 1036 D CA 0.890 55.205 54.000 0.524 0.000 0.828 1036 D CB -0.425 40.712 40.800 0.562 0.000 0.967 1036 D HN 0.317 nan 8.370 nan 0.000 0.464 1037 V N 0.903 121.033 119.914 0.360 0.000 2.295 1037 V HA -0.204 3.917 4.120 0.002 0.000 0.246 1037 V C 2.212 178.541 176.094 0.392 0.000 1.049 1037 V CA 1.382 63.757 62.300 0.123 0.000 1.024 1037 V CB -0.560 31.114 31.823 -0.249 0.000 0.648 1037 V HN 0.395 nan 8.190 nan 0.000 0.447 1038 W N 1.353 122.810 121.300 0.263 0.000 2.315 1038 W HA -0.269 4.392 4.660 0.002 0.000 0.323 1038 W C 2.549 179.370 176.519 0.504 0.000 1.233 1038 W CA 2.521 60.096 57.345 0.383 0.000 1.267 1038 W CB -0.719 28.918 29.460 0.295 0.000 1.160 1038 W HN 0.334 nan 8.180 nan 0.000 0.474 1039 S N 0.674 116.866 115.700 0.819 0.000 2.383 1039 S HA -0.246 4.225 4.470 0.002 0.000 0.229 1039 S C 1.526 176.489 174.600 0.606 0.000 1.030 1039 S CA 1.651 60.300 58.200 0.750 0.000 1.002 1039 S CB -1.069 62.560 63.200 0.715 0.000 0.829 1039 S HN 0.393 nan 8.310 nan 0.000 0.467 1040 F N 2.730 122.947 119.950 0.445 0.000 2.171 1040 F HA 0.004 4.531 4.527 0.001 0.000 0.300 1040 F C 2.182 178.139 175.800 0.261 0.000 1.090 1040 F CA 1.172 59.390 58.000 0.363 0.000 1.293 1040 F CB -0.962 38.297 39.000 0.431 0.000 1.013 1040 F HN 0.186 nan 8.300 nan 0.000 0.486 1041 G N 0.431 109.244 108.800 0.023 0.000 2.446 1041 G HA2 -0.248 3.713 3.960 0.002 0.000 0.217 1041 G HA3 -0.248 3.713 3.960 0.002 0.000 0.217 1041 G C 1.690 176.664 174.900 0.123 0.000 1.168 1041 G CA 1.411 46.347 45.100 -0.272 0.000 0.771 1041 G HN 0.360 nan 8.290 nan 0.000 0.551 1042 V N 0.476 120.674 119.914 0.473 0.000 2.407 1042 V HA -0.157 3.964 4.120 0.002 0.000 0.248 1042 V C 2.993 179.252 176.094 0.276 0.000 1.055 1042 V CA 1.357 63.846 62.300 0.315 0.000 1.049 1042 V CB -0.406 31.375 31.823 -0.070 0.000 0.662 1042 V HN 0.247 nan 8.190 nan 0.000 0.455 1043 V N -0.276 119.784 119.914 0.244 0.000 2.295 1043 V HA -0.243 3.878 4.120 0.002 0.000 0.246 1043 V C 2.397 178.519 176.094 0.047 0.000 1.049 1043 V CA 2.074 64.493 62.300 0.198 0.000 1.024 1043 V CB -0.576 31.344 31.823 0.162 0.000 0.648 1043 V HN 0.494 nan 8.190 nan 0.000 0.447 1044 L N -0.641 120.466 121.223 -0.193 0.000 2.079 1044 L HA -0.203 4.138 4.340 0.002 0.000 0.210 1044 L C 2.265 179.202 176.870 0.112 0.000 1.081 1044 L CA 2.115 56.871 54.840 -0.140 0.000 0.752 1044 L CB -0.937 40.871 42.059 -0.418 0.000 0.896 1044 L HN 0.504 nan 8.230 nan 0.000 0.433 1045 Y N 0.590 120.920 120.300 0.050 0.000 2.089 1045 Y HA -0.271 4.280 4.550 0.002 0.000 0.282 1045 Y C 2.411 178.379 175.900 0.113 0.000 1.139 1045 Y CA 2.230 60.413 58.100 0.139 0.000 1.123 1045 Y CB -0.335 38.268 38.460 0.238 0.000 0.980 1045 Y HN 0.346 nan 8.280 nan 0.000 0.493 1046 E N -0.201 120.077 120.200 0.131 0.000 2.065 1046 E HA -0.279 4.072 4.350 0.002 0.000 0.201 1046 E C 2.056 178.614 176.600 -0.071 0.000 1.016 1046 E CA 1.635 58.072 56.400 0.061 0.000 0.818 1046 E CB -0.432 29.412 29.700 0.240 0.000 0.749 1046 E HN 0.336 nan 8.360 nan 0.000 0.453 1047 L N -0.202 120.984 121.223 -0.061 0.000 2.012 1047 L HA -0.181 4.159 4.340 0.002 0.000 0.210 1047 L C 2.116 178.657 176.870 -0.549 0.000 1.073 1047 L CA 1.685 56.377 54.840 -0.247 0.000 0.748 1047 L CB -0.708 41.258 42.059 -0.153 0.000 0.891 1047 L HN 0.126 nan 8.230 nan 0.000 0.431 1048 F N -0.860 118.905 119.950 -0.308 0.000 2.558 1048 F HA -0.100 4.427 4.527 0.000 0.000 0.298 1048 F C 2.335 178.036 175.800 -0.165 0.000 1.119 1048 F CA 1.118 58.955 58.000 -0.272 0.000 1.451 1048 F CB -0.672 38.190 39.000 -0.230 0.000 1.091 1048 F HN 0.210 nan 8.300 nan 0.000 0.563 1049 T N -4.452 109.998 114.554 -0.172 0.000 3.100 1049 T HA -0.114 4.237 4.350 0.002 0.000 0.253 1049 T C 0.533 175.280 174.700 0.078 0.000 1.118 1049 T CA 0.198 62.227 62.100 -0.118 0.000 1.058 1049 T CB -0.865 67.810 68.868 -0.321 0.000 0.953 1049 T HN 0.361 nan 8.240 nan 0.000 0.515 1050 Y N 1.892 122.136 120.300 -0.093 0.000 3.825 1050 Y HA -0.196 4.355 4.550 0.001 0.000 0.221 1050 Y C 0.377 176.261 175.900 -0.027 0.000 1.195 1050 Y CA 0.361 58.425 58.100 -0.059 0.000 1.699 1050 Y CB -2.271 36.157 38.460 -0.053 0.000 1.531 1050 Y HN 0.318 nan 8.280 nan 0.000 0.640 1051 I N -1.355 119.246 120.570 0.052 0.000 6.341 1051 I HA -0.297 3.873 4.170 0.002 0.000 0.126 1051 I C 0.568 176.727 176.117 0.070 0.000 1.823 1051 I CA 0.791 62.133 61.300 0.069 0.000 2.045 1051 I CB -1.676 36.376 38.000 0.087 0.000 3.471 1051 I HN 0.553 nan 8.210 nan 0.000 0.172 1052 E N 1.577 121.807 120.200 0.050 0.000 2.180 1052 E HA 0.087 4.438 4.350 0.002 0.000 0.283 1052 E C 1.203 177.828 176.600 0.042 0.000 1.061 1052 E CA -0.341 56.083 56.400 0.040 0.000 0.861 1052 E CB 1.182 30.897 29.700 0.024 0.000 1.056 1052 E HN 0.240 nan 8.360 nan 0.000 0.407 1053 K N 2.069 122.496 120.400 0.045 0.000 2.089 1053 K HA -0.222 4.099 4.320 0.002 0.000 0.210 1053 K C 1.875 178.496 176.600 0.035 0.000 1.048 1053 K CA 2.275 58.591 56.287 0.049 0.000 0.926 1053 K CB -0.117 32.410 32.500 0.045 0.000 0.714 1053 K HN 0.434 nan 8.250 nan 0.000 0.448 1054 S N -0.335 115.377 115.700 0.021 0.000 2.428 1054 S HA -0.040 4.431 4.470 0.002 0.000 0.230 1054 S C 1.238 175.841 174.600 0.005 0.000 1.014 1054 S CA 0.670 58.875 58.200 0.007 0.000 0.957 1054 S CB -0.113 63.088 63.200 0.001 0.000 0.784 1054 S HN 0.231 nan 8.310 nan 0.000 0.499 1055 K N 2.396 122.807 120.400 0.019 0.000 2.387 1055 K HA 0.202 4.523 4.320 0.002 0.000 0.198 1055 K C 0.593 177.253 176.600 0.100 0.000 1.022 1055 K CA 0.205 56.515 56.287 0.038 0.000 1.128 1055 K CB 0.409 32.913 32.500 0.005 0.000 0.853 1055 K HN 0.588 nan 8.250 nan 0.000 0.523 1056 S N 1.276 117.024 115.700 0.080 0.000 2.579 1056 S HA 0.112 4.583 4.470 0.002 0.000 0.275 1056 S C -1.863 172.753 174.600 0.027 0.000 1.345 1056 S CA -0.972 57.302 58.200 0.123 0.000 1.031 1056 S CB 1.128 64.405 63.200 0.129 0.000 0.892 1056 S HN -0.180 nan 8.310 nan 0.000 0.529 1057 P HA -0.053 nan 4.420 nan 0.000 0.215 1057 P C -1.563 175.547 177.300 -0.317 0.000 1.157 1057 P CA 1.450 64.320 63.100 -0.383 0.000 0.874 1057 P CB -1.202 30.047 31.700 -0.751 0.000 0.790 1058 P HA -0.143 nan 4.420 nan 0.000 0.215 1058 P C 1.545 178.553 177.300 -0.488 0.000 1.157 1058 P CA 1.992 64.713 63.100 -0.632 0.000 0.863 1058 P CB -0.679 30.996 31.700 -0.041 0.000 0.787 1059 A N 0.206 122.903 122.820 -0.206 0.000 1.883 1059 A HA -0.249 4.072 4.320 0.002 0.000 0.217 1059 A C 2.209 179.692 177.584 -0.169 0.000 1.186 1059 A CA 1.732 53.688 52.037 -0.136 0.000 0.624 1059 A CB -1.264 17.703 19.000 -0.055 0.000 0.822 1059 A HN 0.115 nan 8.150 nan 0.000 0.444 1060 E N -0.923 119.145 120.200 -0.220 0.000 2.051 1060 E HA -0.170 4.181 4.350 0.002 0.000 0.192 1060 E C 1.836 178.261 176.600 -0.292 0.000 0.991 1060 E CA 1.165 57.402 56.400 -0.272 0.000 0.799 1060 E CB -0.444 29.030 29.700 -0.377 0.000 0.748 1060 E HN 0.647 nan 8.360 nan 0.000 0.449 1061 F N 0.759 120.508 119.950 -0.336 0.000 2.134 1061 F HA -0.150 4.378 4.527 0.002 0.000 0.299 1061 F C 2.487 178.157 175.800 -0.218 0.000 1.097 1061 F CA 0.964 58.790 58.000 -0.290 0.000 1.264 1061 F CB -0.422 38.376 39.000 -0.337 0.000 1.001 1061 F HN 0.001 nan 8.300 nan 0.000 0.479 1062 M N -0.493 119.036 119.600 -0.118 0.000 2.279 1062 M HA -0.161 4.320 4.480 0.002 0.000 0.264 1062 M C 2.156 178.439 176.300 -0.030 0.000 1.062 1062 M CA 1.427 56.692 55.300 -0.058 0.000 1.099 1062 M CB -0.973 31.572 32.600 -0.091 0.000 1.394 1062 M HN 0.146 nan 8.290 nan 0.000 0.426 1063 R N -0.471 119.998 120.500 -0.052 0.000 2.062 1063 R HA 0.020 4.361 4.340 0.002 0.000 0.229 1063 R C 2.141 178.425 176.300 -0.026 0.000 1.128 1063 R CA 1.110 57.186 56.100 -0.041 0.000 0.960 1063 R CB -0.252 30.016 30.300 -0.054 0.000 0.855 1063 R HN 0.362 nan 8.270 nan 0.000 0.432 1064 M N -0.134 119.455 119.600 -0.019 0.000 2.358 1064 M HA -0.131 4.350 4.480 0.002 0.000 0.264 1064 M C 1.606 177.919 176.300 0.022 0.000 1.064 1064 M CA 1.319 56.623 55.300 0.006 0.000 1.093 1064 M CB -0.007 32.610 32.600 0.028 0.000 1.401 1064 M HN 0.082 nan 8.290 nan 0.000 0.440 1065 I N -0.987 119.598 120.570 0.026 0.000 2.810 1065 I HA 0.182 4.353 4.170 0.002 0.000 0.262 1065 I C 0.799 176.876 176.117 -0.068 0.000 1.131 1065 I CA 0.651 61.950 61.300 -0.001 0.000 1.453 1065 I CB 0.472 38.516 38.000 0.072 0.000 1.161 1065 I HN 0.296 nan 8.210 nan 0.000 0.444 1066 G N 0.986 109.764 108.800 -0.036 0.000 3.393 1066 G HA2 -0.169 3.792 3.960 0.002 0.000 0.676 1066 G HA3 -0.169 3.792 3.960 0.002 0.000 0.676 1066 G C -0.131 174.759 174.900 -0.016 0.000 1.224 1066 G CA -0.432 44.644 45.100 -0.040 0.000 1.109 1066 G HN 0.130 nan 8.290 nan 0.000 0.519 1067 N N 0.345 119.041 118.700 -0.006 0.000 2.635 1067 N HA 0.016 4.757 4.740 0.002 0.000 0.191 1067 N C 1.645 177.164 175.510 0.016 0.000 1.155 1067 N CA 1.389 54.444 53.050 0.009 0.000 0.927 1067 N CB 0.079 38.568 38.487 0.003 0.000 0.976 1067 N HN 0.852 nan 8.380 nan 0.000 0.448 1068 D N -1.544 118.861 120.400 0.008 0.000 2.328 1068 D HA 0.039 4.680 4.640 0.002 0.000 0.221 1068 D C 0.021 176.335 176.300 0.023 0.000 1.072 1068 D CA 0.001 54.008 54.000 0.012 0.000 0.850 1068 D CB 0.204 41.004 40.800 0.001 0.000 0.922 1068 D HN -0.160 nan 8.370 nan 0.000 0.516 1069 K N 0.745 121.166 120.400 0.035 0.000 2.205 1069 K HA 0.188 4.509 4.320 0.002 0.000 0.279 1069 K C 0.702 177.352 176.600 0.084 0.000 1.027 1069 K CA -0.337 55.991 56.287 0.068 0.000 0.932 1069 K CB 1.189 33.741 32.500 0.087 0.000 1.032 1069 K HN -0.064 nan 8.250 nan 0.000 0.466 1070 Q N 0.453 120.308 119.800 0.091 0.000 1.353 1070 Q HA 0.096 4.436 4.340 0.002 0.000 0.634 1070 Q C 1.279 177.323 176.000 0.073 0.000 0.941 1070 Q CA 2.136 57.983 55.803 0.073 0.000 0.895 1070 Q CB -0.401 28.376 28.738 0.064 0.000 0.930 1070 Q HN 0.859 nan 8.270 nan 0.000 0.338 1071 G N -2.439 106.403 108.800 0.069 0.000 3.361 1071 G HA2 -0.058 3.903 3.960 0.002 0.000 0.200 1071 G HA3 -0.058 3.903 3.960 0.002 0.000 0.200 1071 G C 0.891 175.819 174.900 0.045 0.000 1.355 1071 G CA -0.013 45.119 45.100 0.053 0.000 0.798 1071 G HN 0.187 nan 8.290 nan 0.000 0.803 1072 Q N 0.116 119.937 119.800 0.034 0.000 2.230 1072 Q HA 0.136 4.477 4.340 0.002 0.000 0.202 1072 Q C 2.247 178.282 176.000 0.059 0.000 0.963 1072 Q CA 0.776 56.593 55.803 0.023 0.000 0.866 1072 Q CB -0.244 28.490 28.738 -0.006 0.000 0.931 1072 Q HN 0.416 nan 8.270 nan 0.000 0.452 1073 M N 0.757 120.412 119.600 0.092 0.000 2.254 1073 M HA 0.021 4.502 4.480 0.002 0.000 0.265 1073 M C 1.970 178.439 176.300 0.282 0.000 1.066 1073 M CA 0.952 56.359 55.300 0.180 0.000 1.123 1073 M CB -0.282 32.452 32.600 0.223 0.000 1.388 1073 M HN 0.095 nan 8.290 nan 0.000 0.425 1074 I N -1.382 119.309 120.570 0.202 0.000 2.226 1074 I HA -0.286 3.885 4.170 0.002 0.000 0.245 1074 I C 2.030 178.215 176.117 0.114 0.000 1.100 1074 I CA 0.911 62.325 61.300 0.190 0.000 1.374 1074 I CB -0.345 37.752 38.000 0.162 0.000 1.057 1074 I HN 0.016 nan 8.210 nan 0.000 0.413 1075 V N 0.360 120.303 119.914 0.048 0.000 2.358 1075 V HA -0.282 3.838 4.120 0.002 0.000 0.246 1075 V C 2.218 178.319 176.094 0.013 0.000 1.047 1075 V CA 1.729 64.019 62.300 -0.016 0.000 1.035 1075 V CB -0.694 31.110 31.823 -0.031 0.000 0.658 1075 V HN 0.347 nan 8.190 nan 0.000 0.452 1076 F N 1.232 121.126 119.950 -0.093 0.000 2.069 1076 F HA -0.235 4.293 4.527 0.002 0.000 0.298 1076 F C 2.405 178.100 175.800 -0.175 0.000 1.113 1076 F CA 2.349 60.250 58.000 -0.166 0.000 1.214 1076 F CB -0.629 38.222 39.000 -0.248 0.000 0.978 1076 F HN 0.259 nan 8.300 nan 0.000 0.474 1077 H N -0.885 118.158 119.070 -0.045 0.000 2.387 1077 H HA -0.147 4.410 4.556 0.001 0.000 0.299 1077 H C 1.997 177.247 175.328 -0.129 0.000 1.090 1077 H CA 1.582 57.563 56.048 -0.112 0.000 1.332 1077 H CB -0.372 29.415 29.762 0.042 0.000 1.386 1077 H HN 0.317 nan 8.280 nan 0.000 0.516 1078 L N 0.630 121.862 121.223 0.013 0.000 2.046 1078 L HA -0.139 4.201 4.340 0.002 0.000 0.208 1078 L C 1.946 178.722 176.870 -0.157 0.000 1.077 1078 L CA 1.457 56.248 54.840 -0.081 0.000 0.747 1078 L CB -0.500 41.483 42.059 -0.126 0.000 0.896 1078 L HN 0.298 nan 8.230 nan 0.000 0.432 1079 I N -0.689 119.765 120.570 -0.193 0.000 2.163 1079 I HA -0.288 3.883 4.170 0.002 0.000 0.243 1079 I C 2.468 178.453 176.117 -0.220 0.000 1.085 1079 I CA 1.357 62.527 61.300 -0.216 0.000 1.347 1079 I CB -0.265 37.604 38.000 -0.218 0.000 1.044 1079 I HN 0.299 nan 8.210 nan 0.000 0.408 1080 E N 0.844 120.862 120.200 -0.304 0.000 2.051 1080 E HA -0.238 4.112 4.350 0.002 0.000 0.192 1080 E C 1.967 178.505 176.600 -0.104 0.000 0.991 1080 E CA 1.166 57.414 56.400 -0.253 0.000 0.799 1080 E CB -0.299 29.188 29.700 -0.355 0.000 0.748 1080 E HN 0.319 nan 8.360 nan 0.000 0.449 1081 L N -0.167 121.026 121.223 -0.051 0.000 1.989 1081 L HA -0.187 4.154 4.340 0.002 0.000 0.211 1081 L C 1.937 178.828 176.870 0.035 0.000 1.071 1081 L CA 1.493 56.344 54.840 0.019 0.000 0.749 1081 L CB -0.539 41.562 42.059 0.070 0.000 0.890 1081 L HN 0.189 nan 8.230 nan 0.000 0.431 1082 L N -0.005 121.228 121.223 0.016 0.000 2.042 1082 L HA -0.253 4.088 4.340 0.002 0.000 0.210 1082 L C 2.607 179.508 176.870 0.053 0.000 1.076 1082 L CA 1.796 56.676 54.840 0.067 0.000 0.749 1082 L CB -1.205 40.856 42.059 0.003 0.000 0.893 1082 L HN 0.369 nan 8.230 nan 0.000 0.432 1083 K N -0.303 120.089 120.400 -0.015 0.000 2.097 1083 K HA -0.119 4.202 4.320 0.002 0.000 0.206 1083 K C 0.892 177.495 176.600 0.005 0.000 1.049 1083 K CA 1.406 57.681 56.287 -0.021 0.000 0.933 1083 K CB -0.059 32.400 32.500 -0.067 0.000 0.717 1083 K HN 0.438 nan 8.250 nan 0.000 0.442 1084 N N 1.282 119.987 118.700 0.008 0.000 2.389 1084 N HA 0.077 4.818 4.740 0.002 0.000 0.237 1084 N C -0.919 174.615 175.510 0.040 0.000 1.148 1084 N CA -0.148 52.914 53.050 0.019 0.000 0.854 1084 N CB 0.324 38.818 38.487 0.011 0.000 1.115 1084 N HN 0.147 nan 8.380 nan 0.000 0.492 1085 N N -0.200 118.536 118.700 0.060 0.000 2.708 1085 N HA -0.140 4.601 4.740 0.002 0.000 0.251 1085 N C 0.104 175.663 175.510 0.082 0.000 1.123 1085 N CA 0.746 53.843 53.050 0.078 0.000 0.739 1085 N CB -1.133 37.392 38.487 0.063 0.000 1.113 1085 N HN 0.447 nan 8.380 nan 0.000 0.561 1086 G N 0.304 109.155 108.800 0.085 0.000 2.361 1086 G HA2 0.395 4.356 3.960 0.002 0.000 0.260 1086 G HA3 0.395 4.356 3.960 0.002 0.000 0.260 1086 G C 0.424 175.392 174.900 0.113 0.000 1.261 1086 G CA -0.076 45.078 45.100 0.090 0.000 0.897 1086 G HN 0.089 nan 8.290 nan 0.000 0.499 1087 R N 1.258 121.787 120.500 0.048 0.000 2.855 1087 R HA 0.381 4.722 4.340 0.002 0.000 0.266 1087 R C -0.243 175.914 176.300 -0.239 0.000 1.034 1087 R CA -1.167 54.896 56.100 -0.061 0.000 0.944 1087 R CB 1.213 31.543 30.300 0.051 0.000 1.219 1087 R HN 0.443 nan 8.270 nan 0.000 0.474 1088 L N 3.967 124.846 121.223 -0.573 0.000 2.453 1088 L HA 0.181 4.521 4.340 0.002 0.000 0.272 1088 L C -1.523 175.285 176.870 -0.103 0.000 1.182 1088 L CA -1.181 53.251 54.840 -0.679 0.000 0.858 1088 L CB 0.245 41.530 42.059 -1.289 0.000 1.120 1088 L HN 0.250 nan 8.230 nan 0.000 0.474 1089 P HA 0.038 nan 4.420 nan 0.000 0.274 1089 P C -0.800 176.421 177.300 -0.132 0.000 1.246 1089 P CA -0.659 62.419 63.100 -0.038 0.000 0.795 1089 P CB 0.556 32.223 31.700 -0.056 0.000 1.006 1090 R N 1.883 121.996 120.500 -0.644 0.000 2.421 1090 R HA 0.168 4.509 4.340 0.002 0.000 0.305 1090 R C -1.956 174.165 176.300 -0.299 0.000 1.039 1090 R CA -1.199 54.341 56.100 -0.932 0.000 1.003 1090 R CB -0.620 29.053 30.300 -1.045 0.000 0.959 1090 R HN 0.350 nan 8.270 nan 0.000 0.427 1091 P HA -0.003 nan 4.420 nan 0.000 0.269 1091 P C -1.155 176.121 177.300 -0.040 0.000 1.215 1091 P CA -0.096 62.948 63.100 -0.093 0.000 0.780 1091 P CB 0.480 32.108 31.700 -0.120 0.000 0.898 1092 D N 1.275 121.672 120.400 -0.006 0.000 2.487 1092 D HA 0.255 4.896 4.640 0.002 0.000 0.243 1092 D C 1.664 178.023 176.300 0.097 0.000 1.154 1092 D CA 1.760 55.773 54.000 0.022 0.000 0.876 1092 D CB -0.341 40.467 40.800 0.014 0.000 1.161 1092 D HN 0.678 nan 8.370 nan 0.000 0.478 1093 G N 1.854 110.711 108.800 0.096 0.000 2.205 1093 G HA2 -0.328 3.633 3.960 0.002 0.000 0.261 1093 G HA3 -0.328 3.633 3.960 0.002 0.000 0.261 1093 G C 0.690 175.771 174.900 0.301 0.000 0.980 1093 G CA 0.184 45.397 45.100 0.188 0.000 0.632 1093 G HN 0.775 nan 8.290 nan 0.000 0.533 1094 C N 3.516 122.919 119.300 0.171 0.000 2.651 1094 C HA 0.566 5.026 4.460 0.002 0.000 0.410 1094 C C -0.676 174.280 174.990 -0.056 0.000 1.372 1094 C CA -1.367 57.658 59.018 0.013 0.000 1.707 1094 C CB -0.155 27.514 27.740 -0.119 0.000 2.501 1094 C HN 0.435 nan 8.230 nan 0.000 0.598 1095 P HA 0.145 nan 4.420 nan 0.000 0.271 1095 P C 0.308 177.567 177.300 -0.069 0.000 1.244 1095 P CA 0.152 63.224 63.100 -0.047 0.000 0.793 1095 P CB 0.573 32.252 31.700 -0.035 0.000 0.984 1096 D N -0.206 120.179 120.400 -0.024 0.000 2.097 1096 D HA -0.149 4.492 4.640 0.002 0.000 0.197 1096 D C 1.650 177.933 176.300 -0.028 0.000 0.984 1096 D CA 1.263 55.264 54.000 0.003 0.000 0.826 1096 D CB -0.133 40.673 40.800 0.010 0.000 0.973 1096 D HN 0.470 nan 8.370 nan 0.000 0.460 1097 E N -0.305 119.862 120.200 -0.056 0.000 2.130 1097 E HA -0.189 4.162 4.350 0.002 0.000 0.196 1097 E C 1.899 178.422 176.600 -0.128 0.000 0.998 1097 E CA 0.697 57.051 56.400 -0.077 0.000 0.806 1097 E CB 0.062 29.726 29.700 -0.061 0.000 0.738 1097 E HN 0.365 nan 8.360 nan 0.000 0.459 1098 I N -0.216 120.238 120.570 -0.192 0.000 2.333 1098 I HA -0.202 3.969 4.170 0.002 0.000 0.246 1098 I C 2.271 178.224 176.117 -0.273 0.000 1.106 1098 I CA 0.999 62.107 61.300 -0.320 0.000 1.411 1098 I CB -1.207 36.402 38.000 -0.653 0.000 1.082 1098 I HN 0.149 nan 8.210 nan 0.000 0.420 1099 Y N 1.756 121.860 120.300 -0.327 0.000 2.274 1099 Y HA -0.192 4.359 4.550 0.001 0.000 0.290 1099 Y C 2.533 178.280 175.900 -0.256 0.000 1.145 1099 Y CA 1.318 59.257 58.100 -0.270 0.000 1.203 1099 Y CB -0.134 38.227 38.460 -0.165 0.000 0.984 1099 Y HN 0.002 nan 8.280 nan 0.000 0.533 1100 M N -0.312 119.136 119.600 -0.254 0.000 2.175 1100 M HA -0.161 4.320 4.480 0.002 0.000 0.264 1100 M C 2.269 178.372 176.300 -0.328 0.000 1.063 1100 M CA 1.241 56.364 55.300 -0.295 0.000 1.119 1100 M CB -1.319 31.182 32.600 -0.164 0.000 1.377 1100 M HN 0.290 nan 8.290 nan 0.000 0.415 1101 I N -0.442 119.960 120.570 -0.281 0.000 2.163 1101 I HA -0.357 3.814 4.170 0.002 0.000 0.243 1101 I C 2.513 178.375 176.117 -0.425 0.000 1.085 1101 I CA 1.353 62.498 61.300 -0.257 0.000 1.347 1101 I CB -0.366 37.544 38.000 -0.150 0.000 1.044 1101 I HN 0.254 nan 8.210 nan 0.000 0.408 1102 M N 0.190 119.417 119.600 -0.621 0.000 2.080 1102 M HA -0.216 4.265 4.480 0.002 0.000 0.260 1102 M C 2.473 177.889 176.300 -1.475 0.000 1.068 1102 M CA 2.626 57.230 55.300 -1.160 0.000 1.109 1102 M CB -0.567 31.379 32.600 -1.090 0.000 1.342 1102 M HN 0.432 nan 8.290 nan 0.000 0.405 1103 T N -2.384 111.580 114.554 -0.983 0.000 2.915 1103 T HA -0.100 4.251 4.350 0.002 0.000 0.269 1103 T C 1.449 175.919 174.700 -0.383 0.000 1.071 1103 T CA 1.348 63.084 62.100 -0.607 0.000 1.132 1103 T CB -0.441 68.093 68.868 -0.557 0.000 0.878 1103 T HN 0.466 nan 8.240 nan 0.000 0.479 1104 E N 0.041 120.014 120.200 -0.378 0.000 2.158 1104 E HA 0.015 4.366 4.350 0.002 0.000 0.191 1104 E C 2.272 178.752 176.600 -0.200 0.000 0.982 1104 E CA 0.826 57.092 56.400 -0.224 0.000 0.823 1104 E CB -0.256 29.332 29.700 -0.185 0.000 0.766 1104 E HN 0.529 nan 8.360 nan 0.000 0.468 1105 C N 0.472 119.567 119.300 -0.341 0.000 2.435 1105 C HA -0.093 4.368 4.460 0.002 0.000 0.279 1105 C C 1.225 176.105 174.990 -0.183 0.000 1.321 1105 C CA 0.063 58.923 59.018 -0.265 0.000 1.752 1105 C CB -0.773 26.736 27.740 -0.385 0.000 1.959 1105 C HN 0.549 nan 8.230 nan 0.000 0.500 1106 W N 1.784 122.839 121.300 -0.408 0.000 3.285 1106 W HA 0.295 4.956 4.660 0.003 0.000 0.426 1106 W C 0.511 176.932 176.519 -0.163 0.000 0.957 1106 W CA -0.906 55.997 57.345 -0.737 0.000 1.932 1106 W CB -1.737 27.117 29.460 -1.010 0.000 0.961 1106 W HN 0.329 nan 8.180 nan 0.000 0.832 1107 N N 1.630 120.467 118.700 0.228 0.000 2.497 1107 N HA -0.022 4.719 4.740 0.002 0.000 0.271 1107 N C 1.125 176.872 175.510 0.395 0.000 1.142 1107 N CA 0.272 53.467 53.050 0.241 0.000 0.965 1107 N CB 0.660 39.222 38.487 0.124 0.000 1.077 1107 N HN -0.005 nan 8.380 nan 0.000 0.462 1108 N N 2.482 121.367 118.700 0.308 0.000 2.223 1108 N HA -0.127 4.614 4.740 0.002 0.000 0.185 1108 N C -0.457 175.115 175.510 0.103 0.000 1.016 1108 N CA 0.926 54.099 53.050 0.206 0.000 0.863 1108 N CB -0.154 38.407 38.487 0.122 0.000 0.983 1108 N HN 0.597 nan 8.380 nan 0.000 0.429 1109 N N 0.679 119.435 118.700 0.094 0.000 2.448 1109 N HA 0.063 4.804 4.740 0.002 0.000 0.250 1109 N C 1.286 176.831 175.510 0.059 0.000 1.136 1109 N CA -0.390 52.692 53.050 0.052 0.000 0.953 1109 N CB 1.247 39.757 38.487 0.039 0.000 1.251 1109 N HN -0.183 nan 8.380 nan 0.000 0.502 1110 V N 2.211 122.147 119.914 0.037 0.000 2.277 1110 V HA -0.421 3.700 4.120 0.002 0.000 0.255 1110 V C 2.253 178.367 176.094 0.033 0.000 1.074 1110 V CA 2.109 64.430 62.300 0.034 0.000 1.058 1110 V CB -0.511 31.308 31.823 -0.005 0.000 0.656 1110 V HN 0.874 nan 8.190 nan 0.000 0.449 1111 N N 0.207 118.918 118.700 0.019 0.000 2.512 1111 N HA -0.178 4.563 4.740 0.002 0.000 0.183 1111 N C 1.524 177.040 175.510 0.009 0.000 1.073 1111 N CA 1.059 54.116 53.050 0.011 0.000 0.911 1111 N CB -0.266 38.224 38.487 0.005 0.000 0.964 1111 N HN 0.660 nan 8.380 nan 0.000 0.447 1112 Q N -0.177 119.634 119.800 0.019 0.000 2.319 1112 Q HA 0.207 4.548 4.340 0.002 0.000 0.202 1112 Q C -0.061 175.942 176.000 0.005 0.000 0.896 1112 Q CA -0.197 55.612 55.803 0.011 0.000 0.942 1112 Q CB 0.556 29.304 28.738 0.016 0.000 1.083 1112 Q HN 0.309 nan 8.270 nan 0.000 0.510 1113 R N 2.009 122.517 120.500 0.013 0.000 2.441 1113 R HA 0.224 4.565 4.340 0.002 0.000 0.284 1113 R C -2.182 174.084 176.300 -0.057 0.000 1.070 1113 R CA -1.640 54.458 56.100 -0.004 0.000 1.047 1113 R CB 0.126 30.453 30.300 0.044 0.000 1.016 1113 R HN -0.006 nan 8.270 nan 0.000 0.477 1114 P HA 0.001 nan 4.420 nan 0.000 0.272 1114 P C -0.638 176.543 177.300 -0.198 0.000 1.240 1114 P CA -0.363 62.662 63.100 -0.124 0.000 0.791 1114 P CB 0.621 32.244 31.700 -0.129 0.000 0.978 1115 S N -0.552 115.047 115.700 -0.169 0.000 2.646 1115 S HA 0.302 4.773 4.470 0.002 0.000 0.276 1115 S C 0.945 175.402 174.600 -0.238 0.000 1.222 1115 S CA -0.465 57.624 58.200 -0.184 0.000 1.014 1115 S CB 0.178 63.342 63.200 -0.061 0.000 0.991 1115 S HN 0.194 nan 8.310 nan 0.000 0.533 1116 F N 0.713 120.616 119.950 -0.078 0.000 2.171 1116 F HA 0.011 4.539 4.527 0.001 0.000 0.300 1116 F C 2.820 178.554 175.800 -0.109 0.000 1.090 1116 F CA 1.054 58.968 58.000 -0.143 0.000 1.293 1116 F CB -0.375 38.547 39.000 -0.130 0.000 1.013 1116 F HN 0.525 nan 8.300 nan 0.000 0.486 1117 R N 0.828 121.390 120.500 0.103 0.000 2.083 1117 R HA -0.154 4.187 4.340 0.002 0.000 0.237 1117 R C 1.682 177.994 176.300 0.020 0.000 1.137 1117 R CA 1.832 57.966 56.100 0.058 0.000 0.951 1117 R CB -0.855 29.474 30.300 0.048 0.000 0.851 1117 R HN 0.223 nan 8.270 nan 0.000 0.434 1118 D N 0.291 120.686 120.400 -0.008 0.000 2.149 1118 D HA -0.125 4.516 4.640 0.002 0.000 0.201 1118 D C 1.913 178.195 176.300 -0.030 0.000 0.972 1118 D CA 0.424 54.411 54.000 -0.022 0.000 0.835 1118 D CB -0.144 40.634 40.800 -0.037 0.000 0.966 1118 D HN 0.036 nan 8.370 nan 0.000 0.476 1119 L N 1.285 122.474 121.223 -0.057 0.000 1.990 1119 L HA -0.153 4.188 4.340 0.002 0.000 0.213 1119 L C 2.391 179.256 176.870 -0.009 0.000 1.072 1119 L CA 1.591 56.394 54.840 -0.063 0.000 0.755 1119 L CB -1.360 40.585 42.059 -0.191 0.000 0.889 1119 L HN -0.026 nan 8.230 nan 0.000 0.432 1120 A N -1.306 121.515 122.820 0.001 0.000 1.908 1120 A HA -0.201 4.120 4.320 0.002 0.000 0.218 1120 A C 2.219 179.822 177.584 0.032 0.000 1.181 1120 A CA 1.637 53.693 52.037 0.031 0.000 0.627 1120 A CB -0.719 18.304 19.000 0.039 0.000 0.818 1120 A HN 0.343 nan 8.150 nan 0.000 0.445 1121 L N -0.169 121.066 121.223 0.020 0.000 2.017 1121 L HA -0.142 4.199 4.340 0.002 0.000 0.208 1121 L C 2.704 179.581 176.870 0.013 0.000 1.073 1121 L CA 1.816 56.665 54.840 0.015 0.000 0.745 1121 L CB -0.731 41.333 42.059 0.008 0.000 0.894 1121 L HN 0.352 nan 8.230 nan 0.000 0.432 1122 R N -1.360 119.144 120.500 0.007 0.000 2.075 1122 R HA -0.077 4.264 4.340 0.002 0.000 0.232 1122 R C 2.176 178.485 176.300 0.015 0.000 1.126 1122 R CA 1.271 57.373 56.100 0.002 0.000 0.963 1122 R CB -0.732 29.561 30.300 -0.012 0.000 0.858 1122 R HN 0.236 nan 8.270 nan 0.000 0.435 1123 V N 1.923 121.858 119.914 0.035 0.000 2.295 1123 V HA -0.232 3.888 4.120 0.002 0.000 0.246 1123 V C 1.612 177.736 176.094 0.050 0.000 1.049 1123 V CA 2.010 64.345 62.300 0.058 0.000 1.024 1123 V CB -0.456 31.429 31.823 0.105 0.000 0.648 1123 V HN 0.214 nan 8.190 nan 0.000 0.447 1124 D N -0.614 119.812 120.400 0.043 0.000 2.149 1124 D HA -0.196 4.445 4.640 0.002 0.000 0.198 1124 D C 2.179 178.495 176.300 0.027 0.000 0.990 1124 D CA 1.301 55.322 54.000 0.036 0.000 0.839 1124 D CB -0.307 40.513 40.800 0.032 0.000 0.948 1124 D HN 0.502 nan 8.370 nan 0.000 0.460 1125 Q N 0.549 120.361 119.800 0.021 0.000 2.050 1125 Q HA -0.147 4.194 4.340 0.002 0.000 0.202 1125 Q C 2.323 178.332 176.000 0.016 0.000 0.980 1125 Q CA 1.040 56.851 55.803 0.015 0.000 0.840 1125 Q CB -0.260 28.482 28.738 0.008 0.000 0.898 1125 Q HN 0.321 nan 8.270 nan 0.000 0.424 1126 I N 0.413 120.994 120.570 0.018 0.000 2.179 1126 I HA -0.290 3.881 4.170 0.002 0.000 0.242 1126 I C 2.758 178.895 176.117 0.033 0.000 1.088 1126 I CA 1.244 62.556 61.300 0.020 0.000 1.357 1126 I CB -0.319 37.689 38.000 0.012 0.000 1.051 1126 I HN 0.172 nan 8.210 nan 0.000 0.409 1127 R N 0.792 121.315 120.500 0.039 0.000 2.096 1127 R HA -0.201 4.140 4.340 0.002 0.000 0.240 1127 R C 1.918 178.237 176.300 0.030 0.000 1.139 1127 R CA 1.941 58.065 56.100 0.040 0.000 0.952 1127 R CB -0.429 29.892 30.300 0.036 0.000 0.854 1127 R HN 0.400 nan 8.270 nan 0.000 0.436 1128 D N -0.081 120.334 120.400 0.024 0.000 2.178 1128 D HA -0.098 4.543 4.640 0.002 0.000 0.202 1128 D C 1.396 177.707 176.300 0.018 0.000 0.974 1128 D CA 0.918 54.929 54.000 0.019 0.000 0.841 1128 D CB -0.292 40.517 40.800 0.015 0.000 0.953 1128 D HN 0.195 nan 8.370 nan 0.000 0.478 1129 N N 0.303 119.015 118.700 0.020 0.000 2.216 1129 N HA -0.025 4.716 4.740 0.002 0.000 0.183 1129 N C 1.906 177.430 175.510 0.024 0.000 1.017 1129 N CA 0.588 53.650 53.050 0.019 0.000 0.861 1129 N CB -0.235 38.262 38.487 0.017 0.000 0.986 1129 N HN 0.247 nan 8.380 nan 0.000 0.428 1130 M N 0.260 119.880 119.600 0.033 0.000 2.175 1130 M HA 0.015 4.496 4.480 0.002 0.000 0.264 1130 M C 1.305 177.624 176.300 0.031 0.000 1.063 1130 M CA 0.693 56.018 55.300 0.042 0.000 1.119 1130 M CB -0.049 32.590 32.600 0.065 0.000 1.377 1130 M HN 0.092 nan 8.290 nan 0.000 0.415 1131 A N -0.051 122.785 122.820 0.025 0.000 2.896 1131 A HA 0.591 4.912 4.320 0.002 0.000 0.232 1131 A C 0.780 178.373 177.584 0.014 0.000 1.809 1131 A CA -0.062 51.986 52.037 0.018 0.000 0.855 1131 A CB -0.904 18.105 19.000 0.015 0.000 1.773 1131 A HN 0.361 nan 8.150 nan 0.000 0.644 1132 G N 0.000 108.806 108.800 0.010 0.000 5.446 1132 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 1132 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1132 G CA 0.000 45.105 45.100 0.008 0.000 0.502 1132 G HN 0.000 nan 8.290 nan 0.000 0.925