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 3e64_1_A DATA FIRST_RESID 839 DATA SEQUENCE RDPTQFEERH LKFLQQLGKG NFGSVEMCRY DPLQDNTGEV VAVKKLQHST DATA SEQUENCE EEHLRDFERE IEILKSLQHD NIVKYKGVCY SAGRRNLKLI MEYLPYGSLR DATA SEQUENCE DYLQKHKERI DHIKLLQYTS QICKGMEYLG TKRYIHRDLA TRNILVENEN DATA SEQUENCE RVKIGDFGLT KVLPQDKEXX KVKEPGESPI FWYAPESLTE SKFSVASDVW DATA SEQUENCE SFGVVLYELF TYIEKSKSPP AEFMRMIGND KQGQMIVFHL IELLKNNGRL DATA SEQUENCE PRPDGCPDEI YMIMTECWNN NVNQRPSFRD LALRVDQIRD NMA 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 839 R HA 0.000 nan 4.340 nan 0.000 0.208 839 R C 0.000 176.290 176.300 -0.016 0.000 0.893 839 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 839 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 840 D N 4.188 124.579 120.400 -0.015 0.000 2.336 840 D HA 0.296 4.937 4.640 0.001 0.000 0.249 840 D C -1.449 174.811 176.300 -0.067 0.000 1.213 840 D CA -2.000 51.990 54.000 -0.016 0.000 0.870 840 D CB 1.883 42.691 40.800 0.012 0.000 1.076 840 D HN 0.315 nan 8.370 nan 0.000 0.483 841 P HA -0.025 nan 4.420 nan 0.000 0.237 841 P C 0.998 178.135 177.300 -0.273 0.000 1.178 841 P CA 0.752 63.735 63.100 -0.194 0.000 0.766 841 P CB 0.101 31.741 31.700 -0.100 0.000 0.876 842 T N -5.054 109.458 114.554 -0.070 0.000 3.129 842 T HA 0.067 4.418 4.350 0.001 0.000 0.251 842 T C 0.744 175.520 174.700 0.126 0.000 1.117 842 T CA 0.077 62.229 62.100 0.087 0.000 1.034 842 T CB -0.436 68.535 68.868 0.172 0.000 0.968 842 T HN -0.070 nan 8.240 nan 0.000 0.526 843 Q N 1.338 121.114 119.800 -0.040 0.000 2.398 843 Q HA 0.429 4.770 4.340 0.001 0.000 0.251 843 Q C -1.477 174.457 176.000 -0.110 0.000 0.999 843 Q CA -0.361 55.471 55.803 0.049 0.000 0.874 843 Q CB 0.817 29.599 28.738 0.073 0.000 1.215 843 Q HN 0.435 nan 8.270 nan 0.000 0.470 844 F N 1.306 121.206 119.950 -0.084 0.000 2.427 844 F HA 0.192 4.719 4.527 0.001 0.000 0.346 844 F C 0.857 176.696 175.800 0.066 0.000 1.120 844 F CA -1.089 56.804 58.000 -0.179 0.000 1.033 844 F CB 1.295 40.046 39.000 -0.416 0.000 1.126 844 F HN 0.307 nan 8.300 nan 0.000 0.462 845 E N 2.523 122.962 120.200 0.398 0.000 2.180 845 E HA 0.310 4.660 4.350 0.001 0.000 0.283 845 E C 0.998 177.759 176.600 0.268 0.000 1.061 845 E CA 0.362 56.920 56.400 0.263 0.000 0.861 845 E CB 1.169 30.953 29.700 0.141 0.000 1.056 845 E HN 0.737 nan 8.360 nan 0.000 0.407 846 E N 5.774 126.066 120.200 0.154 0.000 2.153 846 E HA -0.240 4.111 4.350 0.001 0.000 0.194 846 E C 1.664 178.315 176.600 0.086 0.000 0.988 846 E CA 1.759 58.242 56.400 0.139 0.000 0.811 846 E CB -0.739 29.014 29.700 0.090 0.000 0.746 846 E HN 0.706 nan 8.360 nan 0.000 0.466 847 R N -0.573 119.905 120.500 -0.037 0.000 2.237 847 R HA -0.110 4.230 4.340 0.001 0.000 0.219 847 R C 1.306 177.569 176.300 -0.063 0.000 1.080 847 R CA 1.519 57.567 56.100 -0.088 0.000 0.995 847 R CB -0.383 29.826 30.300 -0.152 0.000 0.875 847 R HN 0.480 nan 8.270 nan 0.000 0.462 848 H N 0.603 119.711 119.070 0.065 0.000 2.548 848 H HA 0.242 4.798 4.556 0.001 0.000 0.265 848 H C 0.285 175.619 175.328 0.009 0.000 0.969 848 H CA -0.038 55.968 56.048 -0.070 0.000 1.155 848 H CB 0.133 29.675 29.762 -0.367 0.000 1.394 848 H HN 0.092 nan 8.280 nan 0.000 0.570 849 L N 2.202 123.588 121.223 0.272 0.000 2.315 849 L HA 0.146 4.486 4.340 0.001 0.000 0.283 849 L C 0.282 177.248 176.870 0.160 0.000 1.089 849 L CA -0.012 54.987 54.840 0.265 0.000 0.833 849 L CB 0.658 42.870 42.059 0.255 0.000 1.170 849 L HN -0.152 nan 8.230 nan 0.000 0.442 850 K N 4.407 124.882 120.400 0.125 0.000 2.234 850 K HA 0.248 4.568 4.320 0.001 0.000 0.277 850 K C -0.465 176.197 176.600 0.104 0.000 1.038 850 K CA -0.651 55.698 56.287 0.104 0.000 0.888 850 K CB 1.359 33.895 32.500 0.060 0.000 1.091 850 K HN 0.257 nan 8.250 nan 0.000 0.467 851 F N 4.197 124.150 119.950 0.005 0.000 2.578 851 F HA -0.063 4.464 4.527 0.001 0.000 0.381 851 F C 0.446 176.232 175.800 -0.023 0.000 1.069 851 F CA 0.378 58.371 58.000 -0.012 0.000 1.231 851 F CB 0.374 39.368 39.000 -0.009 0.000 1.086 851 F HN 0.495 nan 8.300 nan 0.000 0.564 852 L N 3.471 124.228 121.223 -0.776 0.000 2.519 852 L HA 0.219 4.560 4.340 0.001 0.000 0.194 852 L C -0.239 176.098 176.870 -0.888 0.000 1.072 852 L CA 0.065 54.538 54.840 -0.610 0.000 0.845 852 L CB -0.024 41.805 42.059 -0.383 0.000 1.138 852 L HN 0.719 nan 8.230 nan 0.000 0.487 853 Q N -0.832 118.283 119.800 -1.141 0.000 2.578 853 Q HA 0.276 4.617 4.340 0.001 0.000 0.284 853 Q C -1.350 174.372 176.000 -0.463 0.000 0.960 853 Q CA -0.707 54.665 55.803 -0.718 0.000 0.809 853 Q CB 1.737 30.306 28.738 -0.282 0.000 1.462 853 Q HN -0.012 nan 8.270 nan 0.000 0.392 854 Q N 1.528 121.329 119.800 0.001 0.000 2.261 854 Q HA 0.321 4.661 4.340 0.001 0.000 0.252 854 Q C -0.338 175.694 176.000 0.053 0.000 0.915 854 Q CA -0.116 55.766 55.803 0.131 0.000 0.915 854 Q CB 0.936 29.808 28.738 0.222 0.000 1.204 854 Q HN 0.862 nan 8.270 nan 0.000 0.421 855 L N 1.906 123.163 121.223 0.057 0.000 2.609 855 L HA 0.448 4.788 4.340 0.001 0.000 0.230 855 L C 0.728 177.632 176.870 0.056 0.000 1.087 855 L CA 0.262 55.140 54.840 0.063 0.000 0.874 855 L CB 0.839 42.950 42.059 0.086 0.000 1.114 855 L HN 0.786 nan 8.230 nan 0.000 0.488 856 G N 0.008 108.839 108.800 0.051 0.000 2.340 856 G HA2 0.320 4.280 3.960 0.001 0.000 0.298 856 G HA3 0.320 4.280 3.960 0.001 0.000 0.298 856 G C -2.026 172.890 174.900 0.027 0.000 1.498 856 G CA -0.557 44.565 45.100 0.035 0.000 0.847 856 G HN -0.162 nan 8.290 nan 0.000 0.594 857 K N -0.703 119.706 120.400 0.015 0.000 2.533 857 K HA 0.811 5.132 4.320 0.001 0.000 0.272 857 K C -0.026 176.572 176.600 -0.003 0.000 0.985 857 K CA -0.068 56.222 56.287 0.005 0.000 0.876 857 K CB 2.280 34.787 32.500 0.013 0.000 1.452 857 K HN 1.510 nan 8.250 nan 0.000 0.439 858 G N -0.441 108.353 108.800 -0.010 0.000 2.510 858 G HA2 0.325 4.285 3.960 0.001 0.000 0.277 858 G HA3 0.325 4.285 3.960 0.001 0.000 0.277 858 G C -1.316 173.581 174.900 -0.005 0.000 1.223 858 G CA -0.298 44.795 45.100 -0.011 0.000 0.887 858 G HN 0.799 nan 8.290 nan 0.000 0.485 859 N N -1.704 116.988 118.700 -0.014 0.000 2.479 859 N HA 0.585 5.326 4.740 0.001 0.000 0.257 859 N C 1.459 176.942 175.510 -0.044 0.000 1.232 859 N CA 1.489 54.534 53.050 -0.009 0.000 0.920 859 N CB -0.283 38.189 38.487 -0.024 0.000 1.105 859 N HN 2.504 nan 8.380 nan 0.000 0.444 860 F N -1.774 118.167 119.950 -0.016 0.000 2.547 860 F HA -0.177 4.350 4.527 0.001 0.000 0.714 860 F C 1.428 177.165 175.800 -0.104 0.000 0.486 860 F CA 2.076 60.013 58.000 -0.105 0.000 0.738 860 F CB -1.320 37.497 39.000 -0.306 0.000 1.612 860 F HN 1.790 nan 8.300 nan 0.000 0.270 861 G N -0.771 107.949 108.800 -0.133 0.000 2.818 861 G HA2 0.865 4.826 3.960 0.001 0.000 0.286 861 G HA3 0.865 4.826 3.960 0.001 0.000 0.286 861 G C -0.369 174.479 174.900 -0.087 0.000 1.364 861 G CA 0.499 45.505 45.100 -0.157 0.000 0.938 861 G HN 2.446 nan 8.290 nan 0.000 0.490 862 S N -1.862 113.791 115.700 -0.078 0.000 2.588 862 S HA 0.767 5.237 4.470 0.001 0.000 0.275 862 S C -1.379 173.219 174.600 -0.003 0.000 1.130 862 S CA -0.701 57.484 58.200 -0.024 0.000 0.855 862 S CB 1.961 65.158 63.200 -0.005 0.000 1.116 862 S HN 0.886 nan 8.310 nan 0.000 0.472 863 V N 1.587 121.517 119.914 0.027 0.000 2.540 863 V HA 0.587 4.708 4.120 0.001 0.000 0.302 863 V C -0.653 175.478 176.094 0.061 0.000 1.035 863 V CA -0.538 61.788 62.300 0.044 0.000 0.873 863 V CB 1.492 33.343 31.823 0.048 0.000 0.992 863 V HN 0.996 nan 8.190 nan 0.000 0.428 864 E N 3.628 123.862 120.200 0.057 0.000 2.238 864 E HA 0.494 4.844 4.350 0.001 0.000 0.267 864 E C -0.725 175.832 176.600 -0.072 0.000 0.887 864 E CA -0.825 55.598 56.400 0.038 0.000 0.769 864 E CB 2.766 32.569 29.700 0.172 0.000 1.187 864 E HN 0.669 nan 8.360 nan 0.000 0.416 865 M N 2.929 122.403 119.600 -0.210 0.000 2.188 865 M HA 0.266 4.746 4.480 0.001 0.000 0.354 865 M C -1.365 174.726 176.300 -0.348 0.000 1.342 865 M CA 0.061 55.146 55.300 -0.358 0.000 1.117 865 M CB 0.059 32.326 32.600 -0.554 0.000 1.670 865 M HN 0.602 nan 8.290 nan 0.000 0.466 866 C N 4.180 123.341 119.300 -0.232 0.000 2.802 866 C HA 0.590 5.051 4.460 0.001 0.000 0.307 866 C C -0.216 174.730 174.990 -0.074 0.000 1.222 866 C CA -0.997 57.946 59.018 -0.125 0.000 1.580 866 C CB 2.245 29.980 27.740 -0.009 0.000 2.119 866 C HN 0.919 nan 8.230 nan 0.000 0.479 867 R N 0.955 121.443 120.500 -0.019 0.000 2.265 867 R HA 0.335 4.675 4.340 0.001 0.000 0.319 867 R C -1.494 174.894 176.300 0.146 0.000 1.006 867 R CA -0.338 55.785 56.100 0.038 0.000 0.880 867 R CB 0.560 30.861 30.300 0.002 0.000 1.077 867 R HN 0.797 nan 8.270 nan 0.000 0.454 868 Y N 3.786 124.129 120.300 0.071 0.000 2.556 868 Y HA 0.129 4.679 4.550 0.001 0.000 0.352 868 Y C -0.746 175.204 175.900 0.083 0.000 1.006 868 Y CA -0.410 57.774 58.100 0.139 0.000 1.277 868 Y CB 0.619 39.240 38.460 0.268 0.000 1.136 868 Y HN 0.592 nan 8.280 nan 0.000 0.523 869 D N 8.289 128.531 120.400 -0.263 0.000 2.607 869 D HA 0.288 4.929 4.640 0.001 0.000 0.318 869 D C -1.960 174.107 176.300 -0.388 0.000 1.212 869 D CA -1.953 51.907 54.000 -0.233 0.000 0.861 869 D CB 0.866 41.612 40.800 -0.090 0.000 1.064 869 D HN 0.292 nan 8.370 nan 0.000 0.500 870 P HA -0.090 nan 4.420 nan 0.000 0.222 870 P C 1.427 178.390 177.300 -0.562 0.000 1.147 870 P CA 0.529 63.041 63.100 -0.980 0.000 0.790 870 P CB 0.495 31.690 31.700 -0.841 0.000 0.780 871 L N -1.117 119.916 121.223 -0.317 0.000 2.492 871 L HA 0.036 4.377 4.340 0.001 0.000 0.223 871 L C 1.014 177.802 176.870 -0.136 0.000 1.132 871 L CA 0.493 55.222 54.840 -0.185 0.000 0.850 871 L CB -0.902 41.083 42.059 -0.124 0.000 0.966 871 L HN -0.010 nan 8.230 nan 0.000 0.454 872 Q N 0.133 119.847 119.800 -0.143 0.000 2.494 872 Q HA -0.249 4.092 4.340 0.001 0.000 0.266 872 Q C -0.104 175.867 176.000 -0.050 0.000 1.053 872 Q CA 0.859 56.615 55.803 -0.078 0.000 1.029 872 Q CB -1.449 27.258 28.738 -0.051 0.000 1.423 872 Q HN 0.708 nan 8.270 nan 0.000 0.516 873 D N -1.420 118.948 120.400 -0.053 0.000 2.535 873 D HA 0.099 4.740 4.640 0.001 0.000 0.229 873 D C 0.040 176.323 176.300 -0.027 0.000 1.238 873 D CA -0.407 53.572 54.000 -0.035 0.000 0.824 873 D CB 0.153 40.932 40.800 -0.035 0.000 1.045 873 D HN 0.188 nan 8.370 nan 0.000 0.500 874 N N 0.116 118.799 118.700 -0.029 0.000 2.714 874 N HA -0.179 4.561 4.740 0.001 0.000 0.250 874 N C 0.638 176.138 175.510 -0.016 0.000 1.117 874 N CA 1.549 54.587 53.050 -0.020 0.000 0.719 874 N CB -2.024 36.455 38.487 -0.013 0.000 1.081 874 N HN 0.635 nan 8.380 nan 0.000 0.557 875 T N -4.236 110.305 114.554 -0.022 0.000 3.054 875 T HA 0.322 4.672 4.350 0.001 0.000 0.255 875 T C 1.128 175.826 174.700 -0.003 0.000 1.035 875 T CA 0.324 62.417 62.100 -0.012 0.000 0.941 875 T CB 0.566 69.425 68.868 -0.015 0.000 1.026 875 T HN 0.340 nan 8.240 nan 0.000 0.533 876 G N 0.872 109.667 108.800 -0.008 0.000 2.651 876 G HA2 0.362 4.323 3.960 0.001 0.000 0.260 876 G HA3 0.362 4.323 3.960 0.001 0.000 0.260 876 G C -0.529 174.408 174.900 0.061 0.000 1.216 876 G CA -0.673 44.439 45.100 0.019 0.000 0.913 876 G HN 0.540 nan 8.290 nan 0.000 0.535 877 E N -1.012 119.258 120.200 0.116 0.000 2.373 877 E HA 0.243 4.594 4.350 0.001 0.000 0.267 877 E C -0.286 176.384 176.600 0.117 0.000 1.032 877 E CA -0.512 55.961 56.400 0.122 0.000 0.889 877 E CB 0.820 30.611 29.700 0.152 0.000 0.984 877 E HN 0.081 nan 8.360 nan 0.000 0.425 878 V N 5.499 125.455 119.914 0.069 0.000 2.498 878 V HA 0.247 4.368 4.120 0.001 0.000 0.279 878 V C 0.187 176.299 176.094 0.030 0.000 1.048 878 V CA -0.216 62.086 62.300 0.002 0.000 0.967 878 V CB 0.870 32.655 31.823 -0.063 0.000 0.988 878 V HN 0.545 nan 8.190 nan 0.000 0.473 879 V N 2.174 122.072 119.914 -0.027 0.000 3.130 879 V HA 1.009 5.130 4.120 0.001 0.000 0.310 879 V C -0.166 175.896 176.094 -0.054 0.000 1.158 879 V CA -1.105 61.186 62.300 -0.015 0.000 1.029 879 V CB 1.909 33.673 31.823 -0.097 0.000 1.057 879 V HN 0.976 nan 8.190 nan 0.000 0.436 880 A N 1.397 124.219 122.820 0.003 0.000 2.290 880 A HA 0.831 5.151 4.320 0.001 0.000 0.310 880 A C -0.533 177.019 177.584 -0.055 0.000 1.202 880 A CA -0.602 51.444 52.037 0.015 0.000 0.837 880 A CB 1.120 20.187 19.000 0.112 0.000 1.139 880 A HN 1.395 nan 8.150 nan 0.000 0.509 881 V N 3.283 123.174 119.914 -0.037 0.000 2.407 881 V HA 0.351 4.471 4.120 0.001 0.000 0.291 881 V C 0.075 176.183 176.094 0.024 0.000 1.018 881 V CA -0.627 61.648 62.300 -0.041 0.000 0.842 881 V CB 1.364 33.165 31.823 -0.036 0.000 0.996 881 V HN 0.933 nan 8.190 nan 0.000 0.426 882 K N 5.861 126.301 120.400 0.067 0.000 2.183 882 K HA 0.647 4.967 4.320 0.001 0.000 0.274 882 K C -0.329 176.371 176.600 0.166 0.000 1.009 882 K CA -0.598 55.762 56.287 0.121 0.000 0.888 882 K CB 1.020 33.641 32.500 0.202 0.000 1.078 882 K HN 0.842 nan 8.250 nan 0.000 0.459 883 K N 3.433 123.831 120.400 -0.004 0.000 2.466 883 K HA 0.426 4.746 4.320 0.001 0.000 0.260 883 K C -1.160 175.258 176.600 -0.302 0.000 1.011 883 K CA -1.019 55.212 56.287 -0.094 0.000 0.871 883 K CB 1.054 33.552 32.500 -0.005 0.000 1.404 883 K HN 0.354 nan 8.250 nan 0.000 0.450 884 L N 2.264 123.294 121.223 -0.322 0.000 2.312 884 L HA 0.196 4.536 4.340 0.001 0.000 0.281 884 L C 1.159 177.949 176.870 -0.133 0.000 1.070 884 L CA -0.879 53.795 54.840 -0.276 0.000 0.805 884 L CB 1.511 43.421 42.059 -0.249 0.000 1.174 884 L HN 0.684 nan 8.230 nan 0.000 0.434 885 Q N 0.764 120.506 119.800 -0.096 0.000 2.049 885 Q HA -0.015 4.325 4.340 0.001 0.000 0.198 885 Q C 0.061 175.898 176.000 -0.273 0.000 0.971 885 Q CA 1.473 57.195 55.803 -0.135 0.000 0.833 885 Q CB 0.010 28.719 28.738 -0.049 0.000 0.896 885 Q HN 0.554 nan 8.270 nan 0.000 0.434 886 H N -0.337 118.751 119.070 0.030 0.000 2.685 886 H HA 0.275 4.831 4.556 0.001 0.000 0.307 886 H C -0.608 174.769 175.328 0.082 0.000 1.017 886 H CA -0.317 55.753 56.048 0.037 0.000 1.237 886 H CB 0.907 30.686 29.762 0.030 0.000 1.409 886 H HN -0.024 nan 8.280 nan 0.000 0.488 887 S N 1.844 117.596 115.700 0.087 0.000 2.912 887 S HA 0.137 4.607 4.470 0.001 0.000 0.184 887 S C 0.603 175.233 174.600 0.050 0.000 1.390 887 S CA -0.906 57.346 58.200 0.086 0.000 1.088 887 S CB -0.569 62.663 63.200 0.053 0.000 1.284 887 S HN 0.654 nan 8.310 nan 0.000 0.502 888 T N -0.619 113.924 114.554 -0.019 0.000 2.766 888 T HA 0.276 4.627 4.350 0.001 0.000 0.295 888 T C 1.110 175.819 174.700 0.014 0.000 1.024 888 T CA -0.479 61.585 62.100 -0.061 0.000 1.018 888 T CB 0.455 69.195 68.868 -0.214 0.000 1.002 888 T HN 0.441 nan 8.240 nan 0.000 0.532 889 E N 0.144 120.351 120.200 0.011 0.000 2.065 889 E HA -0.240 4.110 4.350 0.001 0.000 0.201 889 E C 2.115 178.754 176.600 0.065 0.000 1.016 889 E CA 1.700 58.124 56.400 0.040 0.000 0.818 889 E CB -0.108 29.607 29.700 0.024 0.000 0.749 889 E HN 0.851 nan 8.360 nan 0.000 0.453 890 E N 0.236 120.468 120.200 0.053 0.000 2.047 890 E HA -0.207 4.143 4.350 0.001 0.000 0.191 890 E C 1.989 178.706 176.600 0.196 0.000 0.987 890 E CA 1.008 57.467 56.400 0.099 0.000 0.799 890 E CB -0.054 29.695 29.700 0.081 0.000 0.752 890 E HN 0.481 nan 8.360 nan 0.000 0.449 891 H N 0.209 119.300 119.070 0.034 0.000 2.319 891 H HA -0.140 4.416 4.556 0.001 0.000 0.299 891 H C 2.474 177.852 175.328 0.083 0.000 1.092 891 H CA 1.208 57.277 56.048 0.035 0.000 1.302 891 H CB 0.050 29.819 29.762 0.012 0.000 1.373 891 H HN 0.185 nan 8.280 nan 0.000 0.497 892 L N 0.222 121.582 121.223 0.228 0.000 2.046 892 L HA -0.202 4.138 4.340 0.001 0.000 0.208 892 L C 2.810 179.792 176.870 0.186 0.000 1.077 892 L CA 1.039 56.011 54.840 0.219 0.000 0.747 892 L CB -0.323 41.835 42.059 0.164 0.000 0.896 892 L HN 0.203 nan 8.230 nan 0.000 0.432 893 R N 0.146 120.728 120.500 0.137 0.000 2.083 893 R HA -0.198 4.143 4.340 0.001 0.000 0.237 893 R C 1.943 178.300 176.300 0.094 0.000 1.137 893 R CA 2.067 58.226 56.100 0.098 0.000 0.951 893 R CB -0.164 30.182 30.300 0.077 0.000 0.851 893 R HN 0.332 nan 8.270 nan 0.000 0.434 894 D N -0.226 120.239 120.400 0.108 0.000 2.117 894 D HA -0.181 4.459 4.640 0.001 0.000 0.197 894 D C 1.607 177.991 176.300 0.141 0.000 0.987 894 D CA 0.922 54.973 54.000 0.086 0.000 0.829 894 D CB -0.335 40.497 40.800 0.054 0.000 0.961 894 D HN 0.155 nan 8.370 nan 0.000 0.460 895 F N 1.827 121.769 119.950 -0.013 0.000 2.134 895 F HA -0.132 4.396 4.527 0.000 0.000 0.299 895 F C 2.311 178.100 175.800 -0.018 0.000 1.097 895 F CA 1.303 59.291 58.000 -0.020 0.000 1.264 895 F CB -0.398 38.598 39.000 -0.007 0.000 1.001 895 F HN -0.053 nan 8.300 nan 0.000 0.479 896 E N -0.299 119.900 120.200 -0.002 0.000 2.110 896 E HA -0.212 4.139 4.350 0.001 0.000 0.193 896 E C 2.412 178.951 176.600 -0.102 0.000 0.988 896 E CA 1.077 57.411 56.400 -0.111 0.000 0.804 896 E CB -0.044 29.644 29.700 -0.019 0.000 0.745 896 E HN 0.369 nan 8.360 nan 0.000 0.458 897 R N 0.270 120.743 120.500 -0.045 0.000 2.075 897 R HA -0.152 4.189 4.340 0.001 0.000 0.232 897 R C 2.447 178.682 176.300 -0.109 0.000 1.126 897 R CA 1.462 57.526 56.100 -0.060 0.000 0.963 897 R CB -0.264 30.019 30.300 -0.029 0.000 0.858 897 R HN 0.304 nan 8.270 nan 0.000 0.435 898 E N 1.257 121.409 120.200 -0.080 0.000 2.058 898 E HA -0.215 4.135 4.350 0.001 0.000 0.194 898 E C 1.956 178.461 176.600 -0.159 0.000 0.997 898 E CA 1.306 57.658 56.400 -0.080 0.000 0.801 898 E CB -0.083 29.659 29.700 0.071 0.000 0.746 898 E HN 0.273 nan 8.360 nan 0.000 0.450 899 I N 1.289 121.716 120.570 -0.239 0.000 2.163 899 I HA -0.285 3.886 4.170 0.001 0.000 0.243 899 I C 2.530 178.496 176.117 -0.252 0.000 1.085 899 I CA 1.247 62.395 61.300 -0.254 0.000 1.347 899 I CB -0.346 37.445 38.000 -0.348 0.000 1.044 899 I HN 0.162 nan 8.210 nan 0.000 0.408 900 E N 0.769 120.838 120.200 -0.219 0.000 2.077 900 E HA -0.195 4.155 4.350 0.001 0.000 0.193 900 E C 2.289 178.753 176.600 -0.226 0.000 0.989 900 E CA 1.320 57.597 56.400 -0.205 0.000 0.800 900 E CB -0.283 29.343 29.700 -0.123 0.000 0.746 900 E HN 0.547 nan 8.360 nan 0.000 0.452 901 I N 0.700 121.103 120.570 -0.277 0.000 2.127 901 I HA -0.299 3.871 4.170 0.001 0.000 0.241 901 I C 2.538 178.405 176.117 -0.417 0.000 1.075 901 I CA 0.841 61.867 61.300 -0.455 0.000 1.334 901 I CB -0.265 37.322 38.000 -0.688 0.000 1.040 901 I HN 0.093 nan 8.210 nan 0.000 0.405 902 L N 1.050 122.043 121.223 -0.384 0.000 2.046 902 L HA -0.216 4.124 4.340 0.001 0.000 0.208 902 L C 2.430 179.137 176.870 -0.271 0.000 1.077 902 L CA 1.876 56.504 54.840 -0.353 0.000 0.747 902 L CB -0.694 41.269 42.059 -0.159 0.000 0.896 902 L HN 0.093 nan 8.230 nan 0.000 0.432 903 K N -0.866 119.275 120.400 -0.432 0.000 2.152 903 K HA -0.167 4.154 4.320 0.001 0.000 0.206 903 K C 2.037 178.467 176.600 -0.283 0.000 1.048 903 K CA 1.459 57.355 56.287 -0.651 0.000 0.933 903 K CB -0.160 31.772 32.500 -0.948 0.000 0.721 903 K HN 0.577 nan 8.250 nan 0.000 0.447 904 S N -0.158 115.438 115.700 -0.173 0.000 2.562 904 S HA 0.060 4.530 4.470 0.001 0.000 0.221 904 S C 0.543 175.178 174.600 0.058 0.000 0.975 904 S CA -0.233 57.946 58.200 -0.036 0.000 0.918 904 S CB -0.138 63.087 63.200 0.041 0.000 0.772 904 S HN 0.150 nan 8.310 nan 0.000 0.531 905 L N 1.823 123.072 121.223 0.043 0.000 2.272 905 L HA 0.559 4.899 4.340 0.001 0.000 0.289 905 L C -0.766 176.198 176.870 0.156 0.000 1.032 905 L CA -0.511 54.455 54.840 0.210 0.000 0.810 905 L CB 1.454 43.570 42.059 0.096 0.000 1.205 905 L HN 0.108 nan 8.230 nan 0.000 0.422 906 Q N 3.431 123.344 119.800 0.189 0.000 2.394 906 Q HA 0.472 4.812 4.340 0.001 0.000 0.261 906 Q C -1.106 174.758 176.000 -0.227 0.000 1.023 906 Q CA -0.298 55.510 55.803 0.009 0.000 0.720 906 Q CB 1.634 30.392 28.738 0.034 0.000 1.241 906 Q HN 0.411 nan 8.270 nan 0.000 0.483 907 H N 1.323 120.181 119.070 -0.353 0.000 3.046 907 H HA 0.156 4.712 4.556 0.001 0.000 0.363 907 H C -0.370 174.827 175.328 -0.219 0.000 1.203 907 H CA -0.418 55.342 56.048 -0.481 0.000 1.169 907 H CB 1.929 31.184 29.762 -0.845 0.000 1.851 907 H HN 0.500 nan 8.280 nan 0.000 0.546 908 D N 2.140 122.190 120.400 -0.582 0.000 2.190 908 D HA -0.143 4.497 4.640 0.001 0.000 0.200 908 D C 0.301 176.569 176.300 -0.052 0.000 0.992 908 D CA 1.386 55.216 54.000 -0.283 0.000 0.854 908 D CB 0.138 40.741 40.800 -0.328 0.000 0.936 908 D HN 0.525 nan 8.370 nan 0.000 0.462 909 N N -0.505 118.319 118.700 0.206 0.000 2.321 909 N HA 0.266 5.006 4.740 0.001 0.000 0.242 909 N C -0.404 175.224 175.510 0.195 0.000 1.141 909 N CA -0.063 53.114 53.050 0.212 0.000 0.864 909 N CB 1.103 39.727 38.487 0.230 0.000 1.100 909 N HN 0.068 nan 8.380 nan 0.000 0.510 910 I N 0.512 121.193 120.570 0.185 0.000 2.499 910 I HA 0.203 4.373 4.170 0.001 0.000 0.288 910 I C -0.158 176.056 176.117 0.161 0.000 1.048 910 I CA -1.164 60.267 61.300 0.217 0.000 1.062 910 I CB 2.300 40.429 38.000 0.214 0.000 1.238 910 I HN -0.155 nan 8.210 nan 0.000 0.426 911 V N 7.022 127.057 119.914 0.202 0.000 2.720 911 V HA -0.020 4.100 4.120 0.001 0.000 0.307 911 V C 0.346 176.513 176.094 0.121 0.000 1.071 911 V CA 0.344 62.726 62.300 0.138 0.000 1.199 911 V CB 0.486 32.399 31.823 0.151 0.000 0.900 911 V HN 0.640 nan 8.190 nan 0.000 0.494 912 K N 6.175 126.622 120.400 0.078 0.000 2.297 912 K HA 0.178 4.498 4.320 0.001 0.000 0.286 912 K C -0.538 176.120 176.600 0.096 0.000 1.053 912 K CA -0.208 56.127 56.287 0.082 0.000 0.940 912 K CB 0.689 33.219 32.500 0.050 0.000 1.019 912 K HN 0.713 nan 8.250 nan 0.000 0.475 913 Y N 3.116 123.411 120.300 -0.007 0.000 2.620 913 Y HA -0.119 4.431 4.550 0.001 0.000 0.330 913 Y C 0.647 176.542 175.900 -0.008 0.000 1.186 913 Y CA 0.930 59.015 58.100 -0.025 0.000 1.467 913 Y CB 0.604 39.040 38.460 -0.039 0.000 1.262 913 Y HN 0.569 nan 8.280 nan 0.000 0.550 914 K N 3.782 123.809 120.400 -0.622 0.000 2.367 914 K HA 0.406 4.726 4.320 0.001 0.000 0.198 914 K C 0.387 176.636 176.600 -0.586 0.000 1.132 914 K CA 0.437 56.466 56.287 -0.431 0.000 0.941 914 K CB 0.818 33.167 32.500 -0.250 0.000 1.052 914 K HN 0.935 nan 8.250 nan 0.000 0.507 915 G N 0.041 108.165 108.800 -1.125 0.000 2.336 915 G HA2 0.298 4.258 3.960 0.001 0.000 0.286 915 G HA3 0.298 4.258 3.960 0.001 0.000 0.286 915 G C -1.854 172.797 174.900 -0.415 0.000 1.269 915 G CA -0.770 44.001 45.100 -0.548 0.000 0.873 915 G HN -0.116 nan 8.290 nan 0.000 0.494 916 V N -1.084 118.780 119.914 -0.083 0.000 3.007 916 V HA 0.659 4.779 4.120 0.001 0.000 0.311 916 V C -0.571 175.452 176.094 -0.118 0.000 1.120 916 V CA -0.765 61.425 62.300 -0.183 0.000 0.980 916 V CB 1.804 33.464 31.823 -0.271 0.000 1.033 916 V HN 1.087 nan 8.190 nan 0.000 0.429 917 C N 2.657 121.840 119.300 -0.194 0.000 2.355 917 C HA 0.776 5.236 4.460 0.001 0.000 0.332 917 C C -0.936 173.912 174.990 -0.237 0.000 1.255 917 C CA -0.512 58.457 59.018 -0.083 0.000 1.792 917 C CB 0.255 27.997 27.740 0.002 0.000 2.300 917 C HN 0.772 nan 8.230 nan 0.000 0.515 918 Y N 2.867 123.205 120.300 0.064 0.000 2.352 918 Y HA 0.461 5.012 4.550 0.001 0.000 0.339 918 Y C 0.751 176.681 175.900 0.051 0.000 0.992 918 Y CA -0.314 57.819 58.100 0.055 0.000 1.100 918 Y CB 1.521 40.008 38.460 0.045 0.000 1.192 918 Y HN 0.709 nan 8.280 nan 0.000 0.458 919 S N 1.950 117.763 115.700 0.188 0.000 2.610 919 S HA 0.803 5.273 4.470 0.001 0.000 0.273 919 S C 0.089 174.757 174.600 0.114 0.000 1.274 919 S CA -0.829 57.446 58.200 0.124 0.000 1.023 919 S CB 1.216 64.469 63.200 0.087 0.000 0.962 919 S HN 0.871 nan 8.310 nan 0.000 0.523 920 A N 2.067 124.933 122.820 0.076 0.000 2.425 920 A HA 0.606 4.927 4.320 0.001 0.000 0.242 920 A C 1.467 179.079 177.584 0.047 0.000 1.077 920 A CA 0.264 52.333 52.037 0.053 0.000 0.781 920 A CB -1.183 17.839 19.000 0.036 0.000 1.020 920 A HN 2.474 nan 8.150 nan 0.000 0.494 921 G N 1.807 110.630 108.800 0.037 0.000 3.031 921 G HA2 -0.398 3.562 3.960 0.001 0.000 0.289 921 G HA3 -0.398 3.562 3.960 0.001 0.000 0.289 921 G C 1.160 176.085 174.900 0.041 0.000 1.393 921 G CA 1.122 46.241 45.100 0.032 0.000 1.010 921 G HN 1.638 nan 8.290 nan 0.000 0.579 922 R N 1.811 122.339 120.500 0.045 0.000 2.307 922 R HA 0.274 4.614 4.340 0.001 0.000 0.199 922 R C 1.370 177.714 176.300 0.073 0.000 1.000 922 R CA 1.065 57.196 56.100 0.050 0.000 1.023 922 R CB -0.041 30.284 30.300 0.042 0.000 0.908 922 R HN 0.925 nan 8.270 nan 0.000 0.473 923 R N 1.345 121.900 120.500 0.092 0.000 3.261 923 R HA -0.168 4.172 4.340 0.001 0.000 0.257 923 R C -1.208 175.178 176.300 0.143 0.000 1.014 923 R CA 0.541 56.725 56.100 0.141 0.000 0.681 923 R CB -1.962 28.424 30.300 0.142 0.000 1.155 923 R HN 0.684 nan 8.270 nan 0.000 0.424 924 N N 0.669 119.439 118.700 0.117 0.000 2.453 924 N HA 0.209 4.949 4.740 0.001 0.000 0.253 924 N C -0.295 175.283 175.510 0.112 0.000 1.252 924 N CA 0.095 53.213 53.050 0.113 0.000 0.917 924 N CB 0.466 39.001 38.487 0.081 0.000 1.117 924 N HN 0.236 nan 8.380 nan 0.000 0.442 925 L N 2.223 123.532 121.223 0.143 0.000 2.362 925 L HA 0.498 4.839 4.340 0.001 0.000 0.271 925 L C -0.545 176.447 176.870 0.204 0.000 1.002 925 L CA -0.760 54.123 54.840 0.071 0.000 0.818 925 L CB 2.026 44.093 42.059 0.013 0.000 1.298 925 L HN 0.466 nan 8.230 nan 0.000 0.420 926 K N 2.673 123.094 120.400 0.035 0.000 2.378 926 K HA 0.571 4.891 4.320 0.001 0.000 0.252 926 K C -1.457 175.102 176.600 -0.069 0.000 0.931 926 K CA -0.871 55.474 56.287 0.096 0.000 0.794 926 K CB 2.921 35.441 32.500 0.033 0.000 1.181 926 K HN 0.233 nan 8.250 nan 0.000 0.425 927 L N 4.288 125.516 121.223 0.009 0.000 2.272 927 L HA 0.428 4.768 4.340 0.001 0.000 0.289 927 L C -1.088 175.681 176.870 -0.168 0.000 1.032 927 L CA -0.405 54.362 54.840 -0.122 0.000 0.810 927 L CB 0.681 42.708 42.059 -0.054 0.000 1.205 927 L HN 0.472 nan 8.230 nan 0.000 0.422 928 I N 6.264 126.613 120.570 -0.369 0.000 2.354 928 I HA 0.443 4.613 4.170 0.001 0.000 0.292 928 I C -0.011 175.846 176.117 -0.433 0.000 0.989 928 I CA -0.274 60.712 61.300 -0.522 0.000 1.188 928 I CB 1.181 38.515 38.000 -1.110 0.000 1.342 928 I HN 0.740 nan 8.210 nan 0.000 0.457 929 M N 4.222 123.667 119.600 -0.257 0.000 2.658 929 M HA 0.350 4.830 4.480 0.001 0.000 0.295 929 M C -0.079 176.178 176.300 -0.072 0.000 1.248 929 M CA -0.827 54.395 55.300 -0.130 0.000 0.843 929 M CB 2.794 35.384 32.600 -0.016 0.000 1.749 929 M HN 0.558 nan 8.290 nan 0.000 0.464 930 E N 0.721 120.910 120.200 -0.018 0.000 2.437 930 E HA -0.029 4.321 4.350 0.001 0.000 0.263 930 E C -1.474 175.179 176.600 0.089 0.000 1.030 930 E CA -0.135 56.284 56.400 0.032 0.000 0.934 930 E CB 0.558 30.273 29.700 0.024 0.000 0.943 930 E HN 0.523 nan 8.360 nan 0.000 0.444 931 Y N 3.506 123.796 120.300 -0.017 0.000 2.350 931 Y HA 0.278 4.828 4.550 0.001 0.000 0.340 931 Y C -0.902 175.002 175.900 0.007 0.000 1.006 931 Y CA -1.027 57.069 58.100 -0.008 0.000 1.166 931 Y CB 0.642 39.097 38.460 -0.008 0.000 1.168 931 Y HN 0.461 nan 8.280 nan 0.000 0.502 932 L N 10.018 130.922 121.223 -0.532 0.000 2.264 932 L HA 0.312 4.652 4.340 0.001 0.000 0.287 932 L C -1.568 174.858 176.870 -0.740 0.000 1.039 932 L CA -1.687 52.874 54.840 -0.466 0.000 0.829 932 L CB 1.454 43.369 42.059 -0.241 0.000 1.211 932 L HN 0.582 nan 8.230 nan 0.000 0.427 933 P HA -0.123 nan 4.420 nan 0.000 0.229 933 P C 0.947 178.236 177.300 -0.018 0.000 1.160 933 P CA 1.012 63.851 63.100 -0.435 0.000 0.777 933 P CB 0.179 31.866 31.700 -0.023 0.000 0.814 934 Y N 0.142 120.314 120.300 -0.213 0.000 2.529 934 Y HA 0.226 4.776 4.550 0.001 0.000 0.290 934 Y C 1.823 177.683 175.900 -0.068 0.000 1.177 934 Y CA 0.018 58.060 58.100 -0.097 0.000 1.305 934 Y CB -0.237 38.117 38.460 -0.177 0.000 1.047 934 Y HN 0.071 nan 8.280 nan 0.000 0.522 935 G N 0.680 109.483 108.800 0.006 0.000 2.642 935 G HA2 -0.292 3.669 3.960 0.001 0.000 0.231 935 G HA3 -0.292 3.669 3.960 0.001 0.000 0.231 935 G C -0.149 174.750 174.900 -0.001 0.000 1.338 935 G CA -0.359 44.751 45.100 0.016 0.000 0.883 935 G HN 0.477 nan 8.290 nan 0.000 0.570 936 S N -0.675 115.040 115.700 0.026 0.000 2.592 936 S HA 0.463 4.934 4.470 0.001 0.000 0.271 936 S C 1.487 176.107 174.600 0.034 0.000 1.326 936 S CA 0.355 58.561 58.200 0.010 0.000 1.024 936 S CB 1.606 64.818 63.200 0.020 0.000 0.921 936 S HN 1.928 nan 8.310 nan 0.000 0.527 937 L N 2.057 123.276 121.223 -0.007 0.000 2.093 937 L HA 0.059 4.399 4.340 0.001 0.000 0.208 937 L C 2.679 179.615 176.870 0.112 0.000 1.085 937 L CA 1.729 56.580 54.840 0.019 0.000 0.755 937 L CB -0.955 41.064 42.059 -0.066 0.000 0.904 937 L HN 0.954 nan 8.230 nan 0.000 0.435 938 R N -0.498 120.051 120.500 0.082 0.000 2.080 938 R HA -0.194 4.146 4.340 0.001 0.000 0.236 938 R C 1.887 178.245 176.300 0.097 0.000 1.137 938 R CA 2.129 58.286 56.100 0.095 0.000 0.943 938 R CB -0.314 30.034 30.300 0.079 0.000 0.846 938 R HN 0.408 nan 8.270 nan 0.000 0.431 939 D N -0.688 119.765 120.400 0.089 0.000 2.117 939 D HA -0.185 4.455 4.640 0.001 0.000 0.198 939 D C 1.613 177.957 176.300 0.074 0.000 0.982 939 D CA 1.096 55.136 54.000 0.068 0.000 0.828 939 D CB -0.477 40.359 40.800 0.060 0.000 0.967 939 D HN 0.280 nan 8.370 nan 0.000 0.464 940 Y N 0.907 121.210 120.300 0.004 0.000 2.128 940 Y HA -0.201 4.350 4.550 0.000 0.000 0.284 940 Y C 2.133 178.073 175.900 0.067 0.000 1.154 940 Y CA 1.155 59.278 58.100 0.037 0.000 1.149 940 Y CB -0.315 38.208 38.460 0.103 0.000 0.976 940 Y HN -0.080 nan 8.280 nan 0.000 0.505 941 L N 0.560 121.897 121.223 0.190 0.000 2.109 941 L HA -0.169 4.171 4.340 0.001 0.000 0.207 941 L C 2.444 179.362 176.870 0.080 0.000 1.086 941 L CA 1.831 56.764 54.840 0.154 0.000 0.760 941 L CB -1.079 41.092 42.059 0.187 0.000 0.910 941 L HN 0.377 nan 8.230 nan 0.000 0.437 942 Q N -0.825 119.000 119.800 0.043 0.000 2.124 942 Q HA -0.259 4.081 4.340 0.001 0.000 0.202 942 Q C 2.254 178.215 176.000 -0.065 0.000 0.977 942 Q CA 1.766 57.578 55.803 0.015 0.000 0.850 942 Q CB 0.037 28.788 28.738 0.021 0.000 0.901 942 Q HN 0.466 nan 8.270 nan 0.000 0.429 943 K N -0.837 119.457 120.400 -0.176 0.000 1.984 943 K HA -0.159 4.162 4.320 0.001 0.000 0.209 943 K C 1.784 178.171 176.600 -0.355 0.000 1.046 943 K CA 1.452 57.536 56.287 -0.339 0.000 0.934 943 K CB 0.005 32.155 32.500 -0.582 0.000 0.717 943 K HN 0.363 nan 8.250 nan 0.000 0.438 944 H N 0.561 119.526 119.070 -0.175 0.000 2.525 944 H HA 0.121 4.678 4.556 0.000 0.000 0.275 944 H C 0.668 175.926 175.328 -0.118 0.000 0.984 944 H CA 0.623 56.564 56.048 -0.178 0.000 1.264 944 H CB 0.322 29.904 29.762 -0.300 0.000 1.432 944 H HN 0.187 nan 8.280 nan 0.000 0.549 945 K N 0.208 120.625 120.400 0.028 0.000 1.931 945 K HA -0.314 4.006 4.320 0.001 0.000 0.126 945 K C 1.139 177.584 176.600 -0.257 0.000 1.372 945 K CA 1.882 58.139 56.287 -0.049 0.000 0.483 945 K CB -0.748 31.661 32.500 -0.151 0.000 0.562 945 K HN 0.161 nan 8.250 nan 0.000 0.923 946 E N 0.948 120.779 120.200 -0.616 0.000 2.463 946 E HA -0.093 4.257 4.350 0.001 0.000 0.201 946 E C 1.778 178.247 176.600 -0.220 0.000 1.045 946 E CA 0.912 56.925 56.400 -0.646 0.000 0.872 946 E CB 0.029 29.386 29.700 -0.573 0.000 0.797 946 E HN 0.283 nan 8.360 nan 0.000 0.538 947 R N 0.037 120.464 120.500 -0.122 0.000 2.237 947 R HA 0.009 4.349 4.340 0.001 0.000 0.219 947 R C 0.806 177.097 176.300 -0.015 0.000 1.080 947 R CA 0.572 56.636 56.100 -0.061 0.000 0.995 947 R CB -0.663 29.608 30.300 -0.048 0.000 0.875 947 R HN 0.153 nan 8.270 nan 0.000 0.462 948 I N 3.469 124.074 120.570 0.059 0.000 2.308 948 I HA 0.173 4.344 4.170 0.001 0.000 0.293 948 I C 0.059 176.262 176.117 0.144 0.000 1.078 948 I CA -1.779 59.602 61.300 0.135 0.000 1.292 948 I CB -0.134 38.026 38.000 0.268 0.000 1.423 948 I HN 0.238 nan 8.210 nan 0.000 0.493 949 D N 4.542 124.975 120.400 0.055 0.000 2.411 949 D HA 0.075 4.715 4.640 0.001 0.000 0.251 949 D C 1.062 177.426 176.300 0.105 0.000 1.201 949 D CA -0.160 53.863 54.000 0.038 0.000 0.996 949 D CB 0.396 41.180 40.800 -0.027 0.000 1.101 949 D HN 0.485 nan 8.370 nan 0.000 0.504 950 H N -0.874 118.226 119.070 0.049 0.000 2.387 950 H HA -0.053 4.504 4.556 0.001 0.000 0.299 950 H C 1.891 177.241 175.328 0.037 0.000 1.099 950 H CA 0.651 56.745 56.048 0.076 0.000 1.315 950 H CB 0.081 29.963 29.762 0.200 0.000 1.380 950 H HN 0.291 nan 8.280 nan 0.000 0.513 951 I N 0.756 121.405 120.570 0.131 0.000 2.163 951 I HA -0.273 3.897 4.170 0.001 0.000 0.243 951 I C 2.552 178.632 176.117 -0.061 0.000 1.085 951 I CA 1.195 62.520 61.300 0.041 0.000 1.347 951 I CB -0.111 37.900 38.000 0.018 0.000 1.044 951 I HN 0.123 nan 8.210 nan 0.000 0.408 952 K N 1.330 121.655 120.400 -0.126 0.000 2.026 952 K HA -0.117 4.204 4.320 0.001 0.000 0.208 952 K C 1.966 178.217 176.600 -0.583 0.000 1.048 952 K CA 1.552 57.623 56.287 -0.361 0.000 0.929 952 K CB -0.579 31.762 32.500 -0.265 0.000 0.713 952 K HN 0.209 nan 8.250 nan 0.000 0.439 953 L N 0.223 121.265 121.223 -0.301 0.000 2.042 953 L HA -0.209 4.132 4.340 0.001 0.000 0.210 953 L C 2.271 179.102 176.870 -0.066 0.000 1.076 953 L CA 1.254 55.949 54.840 -0.241 0.000 0.749 953 L CB -0.450 41.311 42.059 -0.496 0.000 0.893 953 L HN 0.186 nan 8.230 nan 0.000 0.432 954 L N -0.879 120.355 121.223 0.019 0.000 2.217 954 L HA -0.187 4.154 4.340 0.001 0.000 0.211 954 L C 2.628 179.536 176.870 0.063 0.000 1.107 954 L CA 0.837 55.744 54.840 0.111 0.000 0.783 954 L CB -0.445 41.693 42.059 0.131 0.000 0.919 954 L HN 0.388 nan 8.230 nan 0.000 0.442 955 Q N 0.045 119.816 119.800 -0.049 0.000 2.050 955 Q HA -0.228 4.112 4.340 0.001 0.000 0.202 955 Q C 2.245 178.312 176.000 0.111 0.000 0.980 955 Q CA 1.910 57.699 55.803 -0.025 0.000 0.840 955 Q CB -0.215 28.444 28.738 -0.133 0.000 0.898 955 Q HN 0.533 nan 8.270 nan 0.000 0.424 956 Y N -0.249 120.092 120.300 0.070 0.000 2.181 956 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 956 Y C 2.629 178.601 175.900 0.120 0.000 1.146 956 Y CA 0.892 59.033 58.100 0.069 0.000 1.164 956 Y CB -0.183 38.307 38.460 0.050 0.000 0.982 956 Y HN 0.212 nan 8.280 nan 0.000 0.515 957 T N -0.746 113.991 114.554 0.305 0.000 2.684 957 T HA -0.261 4.090 4.350 0.001 0.000 0.267 957 T C 2.101 176.995 174.700 0.324 0.000 1.036 957 T CA 1.612 63.921 62.100 0.348 0.000 1.148 957 T CB -0.534 68.532 68.868 0.329 0.000 0.863 957 T HN 0.346 nan 8.240 nan 0.000 0.436 958 S N 0.778 116.611 115.700 0.222 0.000 2.370 958 S HA -0.201 4.270 4.470 0.001 0.000 0.226 958 S C 2.156 176.840 174.600 0.141 0.000 1.033 958 S CA 1.559 59.853 58.200 0.157 0.000 1.011 958 S CB -0.353 62.916 63.200 0.116 0.000 0.852 958 S HN 0.549 nan 8.310 nan 0.000 0.457 959 Q N 0.095 119.991 119.800 0.161 0.000 2.079 959 Q HA 0.004 4.344 4.340 0.001 0.000 0.200 959 Q C 2.242 178.314 176.000 0.119 0.000 0.974 959 Q CA 1.769 57.658 55.803 0.142 0.000 0.840 959 Q CB -0.294 28.533 28.738 0.148 0.000 0.898 959 Q HN 0.612 nan 8.270 nan 0.000 0.430 960 I N -0.076 120.584 120.570 0.149 0.000 2.163 960 I HA -0.358 3.813 4.170 0.001 0.000 0.243 960 I C 2.610 178.724 176.117 -0.004 0.000 1.085 960 I CA 0.712 62.086 61.300 0.123 0.000 1.347 960 I CB -0.412 37.748 38.000 0.267 0.000 1.044 960 I HN 0.369 nan 8.210 nan 0.000 0.408 961 C N 1.383 120.684 119.300 0.003 0.000 2.413 961 C HA -0.199 4.261 4.460 0.001 0.000 0.276 961 C C 2.871 177.757 174.990 -0.174 0.000 1.248 961 C CA 1.345 60.255 59.018 -0.181 0.000 1.742 961 C CB -0.884 26.800 27.740 -0.093 0.000 2.017 961 C HN 0.394 nan 8.230 nan 0.000 0.481 962 K N -0.167 120.205 120.400 -0.048 0.000 2.057 962 K HA -0.027 4.293 4.320 0.001 0.000 0.206 962 K C 2.217 178.683 176.600 -0.223 0.000 1.050 962 K CA 1.529 57.805 56.287 -0.020 0.000 0.935 962 K CB -0.572 32.016 32.500 0.148 0.000 0.715 962 K HN 0.614 nan 8.250 nan 0.000 0.439 963 G N 1.290 109.964 108.800 -0.211 0.000 2.440 963 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 963 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 963 G C 1.466 176.216 174.900 -0.250 0.000 1.154 963 G CA 0.711 45.626 45.100 -0.307 0.000 0.767 963 G HN 0.058 nan 8.290 nan 0.000 0.552 964 M N 0.439 119.809 119.600 -0.383 0.000 2.132 964 M HA 0.022 4.502 4.480 0.001 0.000 0.263 964 M C 2.288 178.243 176.300 -0.574 0.000 1.065 964 M CA 0.822 55.731 55.300 -0.652 0.000 1.122 964 M CB -1.009 30.714 32.600 -1.461 0.000 1.365 964 M HN 0.294 nan 8.290 nan 0.000 0.411 965 E N -0.239 119.699 120.200 -0.436 0.000 2.058 965 E HA -0.244 4.107 4.350 0.001 0.000 0.194 965 E C 2.044 178.611 176.600 -0.055 0.000 0.997 965 E CA 1.451 57.786 56.400 -0.108 0.000 0.801 965 E CB -0.349 29.353 29.700 0.003 0.000 0.746 965 E HN 0.547 nan 8.360 nan 0.000 0.450 966 Y N 1.008 121.175 120.300 -0.222 0.000 2.145 966 Y HA -0.245 4.305 4.550 0.001 0.000 0.286 966 Y C 2.333 178.170 175.900 -0.105 0.000 1.145 966 Y CA 1.734 59.725 58.100 -0.182 0.000 1.148 966 Y CB -0.523 37.709 38.460 -0.381 0.000 0.981 966 Y HN 0.102 nan 8.280 nan 0.000 0.507 967 L N 0.569 121.746 121.223 -0.076 0.000 2.043 967 L HA -0.125 4.216 4.340 0.001 0.000 0.212 967 L C 2.468 179.295 176.870 -0.072 0.000 1.075 967 L CA 2.389 57.218 54.840 -0.018 0.000 0.752 967 L CB -1.275 40.873 42.059 0.147 0.000 0.891 967 L HN 0.368 nan 8.230 nan 0.000 0.432 968 G N -2.234 106.532 108.800 -0.057 0.000 2.443 968 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 968 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 968 G C 1.511 176.353 174.900 -0.097 0.000 1.131 968 G CA 1.074 46.168 45.100 -0.011 0.000 0.775 968 G HN 0.529 nan 8.290 nan 0.000 0.547 969 T N -1.067 113.385 114.554 -0.169 0.000 2.962 969 T HA 0.037 4.387 4.350 0.001 0.000 0.270 969 T C 1.907 176.433 174.700 -0.289 0.000 1.088 969 T CA 1.077 63.057 62.100 -0.199 0.000 1.127 969 T CB -0.112 68.639 68.868 -0.196 0.000 0.883 969 T HN 0.255 nan 8.240 nan 0.000 0.493 970 K N 0.693 120.843 120.400 -0.417 0.000 2.387 970 K HA 0.249 4.569 4.320 0.001 0.000 0.198 970 K C 0.279 176.472 176.600 -0.679 0.000 1.022 970 K CA -0.266 55.661 56.287 -0.599 0.000 1.128 970 K CB 0.203 32.221 32.500 -0.803 0.000 0.853 970 K HN 0.342 nan 8.250 nan 0.000 0.523 971 R N 0.107 120.389 120.500 -0.364 0.000 3.641 971 R HA -0.190 4.150 4.340 0.001 0.000 0.286 971 R C -0.928 175.292 176.300 -0.133 0.000 1.153 971 R CA 0.668 56.645 56.100 -0.207 0.000 0.775 971 R CB -2.394 27.804 30.300 -0.170 0.000 1.215 971 R HN 0.295 nan 8.270 nan 0.000 0.474 972 Y N 0.230 120.521 120.300 -0.015 0.000 2.334 972 Y HA 0.445 4.995 4.550 0.001 0.000 0.328 972 Y C 1.011 176.956 175.900 0.075 0.000 1.130 972 Y CA -1.484 56.627 58.100 0.017 0.000 1.163 972 Y CB 1.142 39.605 38.460 0.004 0.000 1.207 972 Y HN -0.074 nan 8.280 nan 0.000 0.471 973 I N 3.335 124.066 120.570 0.269 0.000 2.362 973 I HA 0.060 4.231 4.170 0.001 0.000 0.289 973 I C 0.892 177.132 176.117 0.206 0.000 0.994 973 I CA -0.546 60.893 61.300 0.232 0.000 1.158 973 I CB 1.055 39.171 38.000 0.194 0.000 1.315 973 I HN 0.861 nan 8.210 nan 0.000 0.451 974 H N 7.534 126.707 119.070 0.172 0.000 2.333 974 H HA 0.018 4.574 4.556 0.001 0.000 0.302 974 H C 0.592 175.961 175.328 0.069 0.000 1.075 974 H CA 1.683 57.810 56.048 0.132 0.000 1.348 974 H CB 0.593 30.430 29.762 0.126 0.000 1.393 974 H HN 0.588 nan 8.280 nan 0.000 0.509 975 R N -0.691 119.957 120.500 0.246 0.000 3.977 975 R HA -0.201 4.140 4.340 0.001 0.000 0.428 975 R C -0.214 176.232 176.300 0.242 0.000 1.079 975 R CA 1.320 57.505 56.100 0.142 0.000 1.269 975 R CB -1.486 28.675 30.300 -0.233 0.000 1.856 975 R HN 0.336 nan 8.270 nan 0.000 0.551 976 D N -0.115 120.512 120.400 0.379 0.000 2.712 976 D HA 0.139 4.780 4.640 0.001 0.000 0.300 976 D C -0.892 175.574 176.300 0.277 0.000 1.521 976 D CA -0.416 53.740 54.000 0.259 0.000 0.790 976 D CB 0.411 41.239 40.800 0.046 0.000 1.155 976 D HN 0.026 nan 8.370 nan 0.000 0.456 977 L N 1.778 123.174 121.223 0.288 0.000 2.500 977 L HA 0.542 4.882 4.340 0.001 0.000 0.272 977 L C -0.368 176.552 176.870 0.084 0.000 1.149 977 L CA 0.351 55.215 54.840 0.041 0.000 0.897 977 L CB 0.092 42.212 42.059 0.100 0.000 1.178 977 L HN 0.165 nan 8.230 nan 0.000 0.473 978 A N 2.524 125.329 122.820 -0.024 0.000 2.604 978 A HA 0.479 4.799 4.320 0.001 0.000 0.295 978 A C 0.730 178.331 177.584 0.028 0.000 1.067 978 A CA 0.053 52.056 52.037 -0.056 0.000 0.683 978 A CB 0.782 19.469 19.000 -0.521 0.000 1.281 978 A HN 0.792 nan 8.150 nan 0.000 0.407 979 T N -0.891 113.740 114.554 0.129 0.000 2.849 979 T HA -0.220 4.130 4.350 0.001 0.000 0.270 979 T C 1.551 176.270 174.700 0.031 0.000 1.066 979 T CA 1.745 63.898 62.100 0.089 0.000 1.130 979 T CB -0.550 68.396 68.868 0.130 0.000 0.864 979 T HN 0.877 nan 8.240 nan 0.000 0.481 980 R N 1.340 121.840 120.500 -0.000 0.000 2.189 980 R HA 0.063 4.403 4.340 0.001 0.000 0.223 980 R C 1.515 177.791 176.300 -0.039 0.000 1.092 980 R CA 1.350 57.437 56.100 -0.021 0.000 0.989 980 R CB -0.523 29.747 30.300 -0.050 0.000 0.876 980 R HN 0.290 nan 8.270 nan 0.000 0.457 981 N N 0.409 119.074 118.700 -0.058 0.000 2.270 981 N HA 0.147 4.888 4.740 0.001 0.000 0.198 981 N C -0.473 174.989 175.510 -0.079 0.000 1.117 981 N CA 0.274 53.282 53.050 -0.069 0.000 0.845 981 N CB 0.528 38.975 38.487 -0.066 0.000 0.980 981 N HN 0.176 nan 8.380 nan 0.000 0.486 982 I N 1.450 121.985 120.570 -0.058 0.000 2.441 982 I HA 0.373 4.543 4.170 0.001 0.000 0.295 982 I C 0.074 176.146 176.117 -0.074 0.000 0.994 982 I CA -0.555 60.706 61.300 -0.065 0.000 1.144 982 I CB 1.754 39.725 38.000 -0.047 0.000 1.314 982 I HN -0.257 nan 8.210 nan 0.000 0.445 983 L N 5.189 126.356 121.223 -0.094 0.000 2.333 983 L HA 0.611 4.952 4.340 0.001 0.000 0.269 983 L C -0.525 176.227 176.870 -0.197 0.000 1.010 983 L CA -1.091 53.680 54.840 -0.115 0.000 0.818 983 L CB 2.373 44.381 42.059 -0.085 0.000 1.306 983 L HN 0.174 nan 8.230 nan 0.000 0.430 984 V N 1.276 121.047 119.914 -0.239 0.000 2.347 984 V HA 0.138 4.259 4.120 0.001 0.000 0.280 984 V C 0.787 176.690 176.094 -0.318 0.000 1.021 984 V CA -0.250 61.825 62.300 -0.375 0.000 0.847 984 V CB 1.219 32.698 31.823 -0.573 0.000 0.990 984 V HN 0.892 nan 8.190 nan 0.000 0.444 985 E N 4.424 124.425 120.200 -0.332 0.000 2.051 985 E HA -0.056 4.295 4.350 0.001 0.000 0.189 985 E C 0.556 176.834 176.600 -0.537 0.000 0.979 985 E CA 1.252 57.464 56.400 -0.315 0.000 0.803 985 E CB 0.411 29.981 29.700 -0.218 0.000 0.761 985 E HN 0.961 nan 8.360 nan 0.000 0.451 986 N N -2.163 116.147 118.700 -0.650 0.000 3.106 986 N HA -0.007 4.733 4.740 0.001 0.000 0.253 986 N C -0.099 175.056 175.510 -0.592 0.000 1.506 986 N CA -0.536 51.958 53.050 -0.926 0.000 0.876 986 N CB 0.342 38.536 38.487 -0.489 0.000 1.452 986 N HN -0.144 nan 8.380 nan 0.000 0.542 987 E N -0.784 119.194 120.200 -0.369 0.000 2.233 987 E HA -0.196 4.155 4.350 0.001 0.000 0.199 987 E C 0.032 176.692 176.600 0.101 0.000 1.004 987 E CA 1.595 57.991 56.400 -0.007 0.000 0.819 987 E CB -0.257 29.491 29.700 0.080 0.000 0.738 987 E HN 0.597 nan 8.360 nan 0.000 0.478 988 N N -0.826 117.882 118.700 0.013 0.000 2.205 988 N HA 0.101 4.841 4.740 0.001 0.000 0.201 988 N C -0.369 175.195 175.510 0.089 0.000 1.128 988 N CA -0.120 52.973 53.050 0.072 0.000 0.867 988 N CB 0.777 39.269 38.487 0.009 0.000 0.996 988 N HN -0.138 nan 8.380 nan 0.000 0.503 989 R N 1.327 121.834 120.500 0.013 0.000 2.522 989 R HA 0.321 4.661 4.340 0.001 0.000 0.283 989 R C -1.557 174.652 176.300 -0.151 0.000 1.074 989 R CA -0.549 55.532 56.100 -0.032 0.000 0.925 989 R CB 1.364 31.623 30.300 -0.068 0.000 1.205 989 R HN -0.063 nan 8.270 nan 0.000 0.436 990 V N 0.072 119.912 119.914 -0.124 0.000 2.881 990 V HA 0.733 4.854 4.120 0.001 0.000 0.316 990 V C -0.814 175.233 176.094 -0.077 0.000 1.070 990 V CA -0.849 61.334 62.300 -0.196 0.000 0.976 990 V CB 2.085 33.728 31.823 -0.300 0.000 1.038 990 V HN 0.714 nan 8.190 nan 0.000 0.446 991 K N 2.657 123.014 120.400 -0.072 0.000 2.498 991 K HA 0.598 4.918 4.320 0.001 0.000 0.254 991 K C -1.222 175.380 176.600 0.003 0.000 0.933 991 K CA -0.792 55.495 56.287 -0.001 0.000 0.806 991 K CB 2.809 35.317 32.500 0.013 0.000 1.301 991 K HN 0.688 nan 8.250 nan 0.000 0.432 992 I N 1.495 122.091 120.570 0.044 0.000 2.668 992 I HA -0.027 4.144 4.170 0.001 0.000 0.285 992 I C 1.247 177.380 176.117 0.027 0.000 1.168 992 I CA 0.599 61.893 61.300 -0.011 0.000 1.424 992 I CB 0.497 38.495 38.000 -0.003 0.000 1.377 992 I HN 0.960 nan 8.210 nan 0.000 0.560 993 G N 4.118 112.867 108.800 -0.086 0.000 3.079 993 G HA2 0.113 4.074 3.960 0.001 0.000 0.233 993 G HA3 0.113 4.074 3.960 0.001 0.000 0.233 993 G C -0.272 174.609 174.900 -0.032 0.000 1.062 993 G CA 0.065 45.161 45.100 -0.005 0.000 0.809 993 G HN 0.638 nan 8.290 nan 0.000 0.535 994 D N -1.431 118.806 120.400 -0.271 0.000 2.859 994 D HA 0.549 5.189 4.640 0.001 0.000 0.223 994 D C -1.035 174.887 176.300 -0.631 0.000 1.218 994 D CA -0.682 53.186 54.000 -0.219 0.000 0.850 994 D CB 1.537 42.272 40.800 -0.108 0.000 1.656 994 D HN -0.099 nan 8.370 nan 0.000 0.484 995 F N 1.474 121.403 119.950 -0.034 0.000 2.815 995 F HA 0.330 4.858 4.527 0.000 0.000 0.335 995 F C 1.706 177.399 175.800 -0.178 0.000 1.179 995 F CA -0.619 57.277 58.000 -0.173 0.000 1.204 995 F CB 1.290 40.213 39.000 -0.128 0.000 1.050 995 F HN 0.528 nan 8.300 nan 0.000 0.510 996 G N 0.247 109.013 108.800 -0.057 0.000 2.470 996 G HA2 -0.119 3.841 3.960 0.001 0.000 0.220 996 G HA3 -0.119 3.841 3.960 0.001 0.000 0.220 996 G C 1.271 176.111 174.900 -0.099 0.000 1.121 996 G CA 0.738 45.812 45.100 -0.043 0.000 0.766 996 G HN 0.396 nan 8.290 nan 0.000 0.553 997 L N 0.736 121.853 121.223 -0.176 0.000 2.808 997 L HA 0.182 4.523 4.340 0.001 0.000 0.246 997 L C 0.400 177.153 176.870 -0.196 0.000 1.153 997 L CA -0.244 54.486 54.840 -0.183 0.000 0.956 997 L CB 0.328 42.277 42.059 -0.183 0.000 1.270 997 L HN -0.065 nan 8.230 nan 0.000 0.528 998 T N 2.197 116.638 114.554 -0.188 0.000 2.888 998 T HA 0.168 4.518 4.350 0.001 0.000 0.301 998 T C 0.238 174.878 174.700 -0.100 0.000 1.001 998 T CA 0.197 62.216 62.100 -0.135 0.000 1.147 998 T CB 0.718 69.545 68.868 -0.067 0.000 0.931 998 T HN -0.009 nan 8.240 nan 0.000 0.541 999 K N 2.093 122.472 120.400 -0.036 0.000 2.371 999 K HA 0.498 4.818 4.320 0.001 0.000 0.251 999 K C -0.725 175.951 176.600 0.128 0.000 0.934 999 K CA -0.815 55.478 56.287 0.009 0.000 0.798 999 K CB 2.697 35.191 32.500 -0.009 0.000 1.204 999 K HN 0.386 nan 8.250 nan 0.000 0.427 1000 V N 3.979 123.992 119.914 0.164 0.000 2.546 1000 V HA 0.239 4.360 4.120 0.001 0.000 0.284 1000 V C 0.124 176.288 176.094 0.117 0.000 1.050 1000 V CA -0.654 61.791 62.300 0.241 0.000 0.981 1000 V CB 0.628 32.604 31.823 0.256 0.000 0.990 1000 V HN 0.570 nan 8.190 nan 0.000 0.474 1001 L N 8.403 129.679 121.223 0.088 0.000 2.485 1001 L HA 0.262 4.602 4.340 0.001 0.000 0.275 1001 L C -1.842 175.049 176.870 0.034 0.000 1.207 1001 L CA -1.336 53.537 54.840 0.055 0.000 0.855 1001 L CB 0.316 42.397 42.059 0.036 0.000 1.114 1001 L HN 0.559 nan 8.230 nan 0.000 0.485 1002 P HA 0.034 nan 4.420 nan 0.000 0.268 1002 P C 0.497 177.802 177.300 0.007 0.000 1.208 1002 P CA 0.069 63.181 63.100 0.019 0.000 0.777 1002 P CB 0.594 32.306 31.700 0.020 0.000 0.875 1003 Q N 2.366 122.166 119.800 0.001 0.000 2.112 1003 Q HA -0.225 4.115 4.340 0.001 0.000 0.206 1003 Q C 1.165 177.161 176.000 -0.007 0.000 0.987 1003 Q CA 2.307 58.105 55.803 -0.008 0.000 0.858 1003 Q CB -1.354 27.379 28.738 -0.008 0.000 0.905 1003 Q HN 0.761 nan 8.270 nan 0.000 0.420 1004 D N -1.782 118.618 120.400 -0.001 0.000 2.402 1004 D HA 0.174 4.814 4.640 0.001 0.000 0.216 1004 D C -0.143 176.158 176.300 0.002 0.000 1.128 1004 D CA -0.050 53.950 54.000 -0.001 0.000 0.833 1004 D CB 0.341 41.140 40.800 -0.001 0.000 0.971 1004 D HN 0.353 nan 8.370 nan 0.000 0.503 1005 K N 0.414 120.818 120.400 0.006 0.000 2.435 1005 K HA 0.377 4.697 4.320 0.001 0.000 0.251 1005 K C 0.057 176.665 176.600 0.013 0.000 0.954 1005 K CA -0.602 55.691 56.287 0.009 0.000 0.820 1005 K CB 2.676 35.185 32.500 0.014 0.000 1.292 1005 K HN -0.095 nan 8.250 nan 0.000 0.436 1010 V N 5.494 125.524 119.914 0.192 0.000 2.461 1010 V HA 0.161 4.281 4.120 0.001 0.000 0.275 1010 V C 0.947 177.100 176.094 0.098 0.000 1.047 1010 V CA -0.062 62.316 62.300 0.129 0.000 0.955 1010 V CB 1.345 33.254 31.823 0.144 0.000 0.988 1010 V HN 0.772 nan 8.190 nan 0.000 0.471 1011 K N 2.343 122.780 120.400 0.061 0.000 2.128 1011 K HA 0.128 4.448 4.320 0.001 0.000 0.202 1011 K C 0.314 176.940 176.600 0.043 0.000 1.050 1011 K CA 0.733 57.047 56.287 0.046 0.000 0.966 1011 K CB 0.315 32.835 32.500 0.033 0.000 0.759 1011 K HN 0.584 nan 8.250 nan 0.000 0.454 1012 E N 1.786 122.011 120.200 0.041 0.000 2.489 1012 E HA 0.224 4.574 4.350 0.001 0.000 0.232 1012 E C -2.559 174.066 176.600 0.041 0.000 0.990 1012 E CA -1.707 54.715 56.400 0.036 0.000 0.768 1012 E CB 1.245 30.961 29.700 0.027 0.000 1.270 1012 E HN 0.087 nan 8.360 nan 0.000 0.423 1013 P HA 0.086 nan 4.420 nan 0.000 0.268 1013 P C 0.458 177.782 177.300 0.040 0.000 1.204 1013 P CA -0.021 63.120 63.100 0.068 0.000 0.768 1013 P CB 0.906 32.671 31.700 0.108 0.000 0.842 1014 G N 1.242 110.057 108.800 0.025 0.000 2.574 1014 G HA2 0.173 4.133 3.960 0.001 0.000 0.248 1014 G HA3 0.173 4.133 3.960 0.001 0.000 0.248 1014 G C -0.593 174.307 174.900 0.000 0.000 1.422 1014 G CA -0.535 44.569 45.100 0.008 0.000 1.051 1014 G HN 0.595 nan 8.290 nan 0.000 0.560 1015 E N -0.314 119.876 120.200 -0.018 0.000 2.493 1015 E HA 0.235 4.586 4.350 0.001 0.000 0.255 1015 E C -0.659 175.914 176.600 -0.045 0.000 0.999 1015 E CA 0.154 56.535 56.400 -0.033 0.000 0.934 1015 E CB 0.124 29.803 29.700 -0.036 0.000 0.940 1015 E HN 0.171 nan 8.360 nan 0.000 0.473 1016 S N 5.996 121.646 115.700 -0.084 0.000 2.519 1016 S HA 0.332 4.803 4.470 0.001 0.000 0.309 1016 S C -2.360 172.032 174.600 -0.347 0.000 1.100 1016 S CA -1.269 56.833 58.200 -0.164 0.000 1.059 1016 S CB 1.803 64.929 63.200 -0.124 0.000 1.008 1016 S HN 0.503 nan 8.310 nan 0.000 0.478 1017 P HA 0.205 nan 4.420 nan 0.000 0.225 1017 P C 0.954 178.010 177.300 -0.407 0.000 1.813 1017 P CA -0.361 62.590 63.100 -0.249 0.000 1.013 1017 P CB -0.703 30.919 31.700 -0.129 0.000 1.961 1018 I N -3.308 116.897 120.570 -0.608 0.000 2.423 1018 I HA -0.206 3.964 4.170 0.001 0.000 0.254 1018 I C 1.251 177.109 176.117 -0.431 0.000 1.151 1018 I CA 1.322 62.181 61.300 -0.734 0.000 1.421 1018 I CB -1.029 36.553 38.000 -0.697 0.000 1.079 1018 I HN -0.123 nan 8.210 nan 0.000 0.431 1019 F N -0.244 119.767 119.950 0.101 0.000 2.771 1019 F HA 0.036 4.563 4.527 0.000 0.000 0.299 1019 F C 1.832 177.710 175.800 0.130 0.000 1.177 1019 F CA 0.348 58.391 58.000 0.071 0.000 1.450 1019 F CB -0.193 38.898 39.000 0.152 0.000 1.114 1019 F HN 0.203 nan 8.300 nan 0.000 0.587 1020 W N -1.874 119.596 121.300 0.283 0.000 3.008 1020 W HA 0.129 4.790 4.660 0.001 0.000 0.355 1020 W C -0.163 176.695 176.519 0.564 0.000 1.095 1020 W CA -0.280 57.330 57.345 0.441 0.000 1.738 1020 W CB 0.172 29.869 29.460 0.394 0.000 1.091 1020 W HN -0.206 nan 8.180 nan 0.000 0.574 1021 Y N 1.493 121.958 120.300 0.274 0.000 2.319 1021 Y HA 0.379 4.929 4.550 0.000 0.000 0.328 1021 Y C 0.924 176.488 175.900 -0.559 0.000 1.133 1021 Y CA -1.460 56.633 58.100 -0.010 0.000 1.265 1021 Y CB 0.200 38.614 38.460 -0.076 0.000 1.218 1021 Y HN -0.212 nan 8.280 nan 0.000 0.508 1022 A N 6.724 129.068 122.820 -0.792 0.000 2.507 1022 A HA 0.163 4.483 4.320 0.001 0.000 0.235 1022 A C -1.459 175.566 177.584 -0.932 0.000 1.070 1022 A CA -0.942 50.226 52.037 -1.449 0.000 0.768 1022 A CB -0.223 18.336 19.000 -0.735 0.000 1.011 1022 A HN 0.609 nan 8.150 nan 0.000 0.502 1023 P HA -0.224 nan 4.420 nan 0.000 0.215 1023 P C 1.363 178.431 177.300 -0.387 0.000 1.157 1023 P CA 1.753 64.542 63.100 -0.519 0.000 0.874 1023 P CB 0.042 31.508 31.700 -0.391 0.000 0.790 1024 E N -0.340 119.629 120.200 -0.384 0.000 2.268 1024 E HA -0.093 4.258 4.350 0.001 0.000 0.195 1024 E C 1.554 177.898 176.600 -0.426 0.000 0.995 1024 E CA 1.291 57.497 56.400 -0.323 0.000 0.836 1024 E CB -1.071 28.472 29.700 -0.261 0.000 0.763 1024 E HN 0.169 nan 8.360 nan 0.000 0.491 1025 S N 1.212 116.553 115.700 -0.598 0.000 2.371 1025 S HA 0.026 4.496 4.470 0.001 0.000 0.224 1025 S C 2.148 176.498 174.600 -0.417 0.000 1.029 1025 S CA 0.828 58.503 58.200 -0.875 0.000 0.978 1025 S CB -0.230 62.171 63.200 -1.331 0.000 0.833 1025 S HN 0.200 nan 8.310 nan 0.000 0.466 1026 L N 1.390 122.469 121.223 -0.239 0.000 2.056 1026 L HA -0.107 4.233 4.340 0.001 0.000 0.207 1026 L C 2.947 179.754 176.870 -0.105 0.000 1.078 1026 L CA 1.603 56.391 54.840 -0.087 0.000 0.749 1026 L CB -1.111 40.871 42.059 -0.128 0.000 0.901 1026 L HN 0.476 nan 8.230 nan 0.000 0.433 1027 T N -3.696 110.765 114.554 -0.154 0.000 2.939 1027 T HA -0.037 4.313 4.350 0.001 0.000 0.254 1027 T C 1.408 176.049 174.700 -0.099 0.000 1.041 1027 T CA 0.707 62.738 62.100 -0.115 0.000 1.142 1027 T CB -0.023 68.771 68.868 -0.124 0.000 0.874 1027 T HN 0.343 nan 8.240 nan 0.000 0.452 1028 E N 0.598 120.715 120.200 -0.139 0.000 2.601 1028 E HA 0.338 4.688 4.350 0.001 0.000 0.219 1028 E C 0.032 176.561 176.600 -0.118 0.000 0.964 1028 E CA -0.183 56.149 56.400 -0.113 0.000 1.050 1028 E CB 0.657 30.286 29.700 -0.119 0.000 1.068 1028 E HN 0.252 nan 8.360 nan 0.000 0.496 1029 S N 1.260 116.862 115.700 -0.163 0.000 3.581 1029 S HA -0.196 4.274 4.470 0.001 0.000 0.354 1029 S C -0.134 174.326 174.600 -0.234 0.000 1.059 1029 S CA 0.969 59.093 58.200 -0.127 0.000 1.060 1029 S CB -1.111 62.153 63.200 0.107 0.000 0.908 1029 S HN 0.265 nan 8.310 nan 0.000 0.475 1030 K N 0.304 120.420 120.400 -0.473 0.000 2.211 1030 K HA 0.578 4.898 4.320 0.001 0.000 0.275 1030 K C -0.541 175.645 176.600 -0.690 0.000 1.024 1030 K CA -0.039 56.030 56.287 -0.363 0.000 0.887 1030 K CB 0.657 33.016 32.500 -0.234 0.000 1.084 1030 K HN 0.143 nan 8.250 nan 0.000 0.463 1031 F N 0.806 120.705 119.950 -0.084 0.000 2.540 1031 F HA 0.357 4.885 4.527 0.001 0.000 0.317 1031 F C 0.352 176.145 175.800 -0.011 0.000 1.104 1031 F CA -0.526 57.431 58.000 -0.072 0.000 0.913 1031 F CB 2.146 41.102 39.000 -0.073 0.000 1.170 1031 F HN 0.546 nan 8.300 nan 0.000 0.450 1032 S N 0.199 115.999 115.700 0.167 0.000 2.656 1032 S HA 0.462 4.933 4.470 0.001 0.000 0.273 1032 S C 0.039 174.744 174.600 0.174 0.000 1.168 1032 S CA -0.810 57.469 58.200 0.132 0.000 0.817 1032 S CB 1.223 64.459 63.200 0.060 0.000 1.146 1032 S HN 0.243 nan 8.310 nan 0.000 0.475 1033 V N 1.364 121.375 119.914 0.161 0.000 2.324 1033 V HA -0.189 3.931 4.120 0.001 0.000 0.250 1033 V C 3.030 179.225 176.094 0.170 0.000 1.060 1033 V CA 2.755 65.181 62.300 0.211 0.000 1.042 1033 V CB -1.644 30.285 31.823 0.175 0.000 0.650 1033 V HN 1.012 nan 8.190 nan 0.000 0.450 1034 A N 0.580 123.458 122.820 0.098 0.000 1.933 1034 A HA -0.211 4.109 4.320 0.001 0.000 0.218 1034 A C 2.510 180.182 177.584 0.146 0.000 1.175 1034 A CA 2.294 54.375 52.037 0.073 0.000 0.628 1034 A CB -0.668 18.360 19.000 0.046 0.000 0.814 1034 A HN 0.714 nan 8.150 nan 0.000 0.444 1035 S N -0.270 115.514 115.700 0.141 0.000 2.406 1035 S HA -0.130 4.341 4.470 0.001 0.000 0.228 1035 S C 1.386 176.191 174.600 0.342 0.000 1.020 1035 S CA 1.171 59.475 58.200 0.172 0.000 0.965 1035 S CB -0.392 62.798 63.200 -0.016 0.000 0.798 1035 S HN 0.463 nan 8.310 nan 0.000 0.488 1036 D N 1.747 122.365 120.400 0.363 0.000 2.117 1036 D HA -0.034 4.606 4.640 0.001 0.000 0.197 1036 D C 2.056 178.687 176.300 0.552 0.000 0.987 1036 D CA 0.894 55.193 54.000 0.497 0.000 0.829 1036 D CB -0.491 40.641 40.800 0.552 0.000 0.961 1036 D HN 0.308 nan 8.370 nan 0.000 0.460 1037 V N 0.821 120.897 119.914 0.269 0.000 2.343 1037 V HA -0.203 3.918 4.120 0.001 0.000 0.247 1037 V C 2.180 178.464 176.094 0.316 0.000 1.051 1037 V CA 1.311 63.611 62.300 0.001 0.000 1.036 1037 V CB -0.475 31.144 31.823 -0.341 0.000 0.654 1037 V HN 0.403 nan 8.190 nan 0.000 0.451 1038 W N 1.187 122.613 121.300 0.210 0.000 2.317 1038 W HA -0.247 4.413 4.660 -0.000 0.000 0.318 1038 W C 2.529 179.324 176.519 0.460 0.000 1.227 1038 W CA 2.370 59.914 57.345 0.331 0.000 1.269 1038 W CB -0.669 28.953 29.460 0.271 0.000 1.155 1038 W HN 0.331 nan 8.180 nan 0.000 0.484 1039 S N 0.700 116.886 115.700 0.811 0.000 2.368 1039 S HA -0.240 4.230 4.470 0.001 0.000 0.225 1039 S C 1.553 176.531 174.600 0.630 0.000 1.030 1039 S CA 1.599 60.262 58.200 0.772 0.000 0.999 1039 S CB -1.122 62.508 63.200 0.716 0.000 0.844 1039 S HN 0.352 nan 8.310 nan 0.000 0.459 1040 F N 2.765 122.981 119.950 0.443 0.000 2.120 1040 F HA -0.097 4.430 4.527 0.000 0.000 0.300 1040 F C 2.238 178.183 175.800 0.242 0.000 1.095 1040 F CA 1.337 59.554 58.000 0.361 0.000 1.249 1040 F CB -1.022 38.237 39.000 0.433 0.000 0.995 1040 F HN 0.208 nan 8.300 nan 0.000 0.480 1041 G N 0.109 108.920 108.800 0.018 0.000 2.440 1041 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 1041 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 1041 G C 1.713 176.664 174.900 0.085 0.000 1.154 1041 G CA 1.396 46.300 45.100 -0.327 0.000 0.767 1041 G HN 0.373 nan 8.290 nan 0.000 0.552 1042 V N 0.566 120.761 119.914 0.468 0.000 2.343 1042 V HA -0.171 3.949 4.120 0.001 0.000 0.247 1042 V C 3.015 179.301 176.094 0.319 0.000 1.051 1042 V CA 1.455 63.980 62.300 0.375 0.000 1.036 1042 V CB -0.561 31.299 31.823 0.062 0.000 0.654 1042 V HN 0.249 nan 8.190 nan 0.000 0.451 1043 V N -0.190 119.906 119.914 0.304 0.000 2.332 1043 V HA -0.261 3.859 4.120 0.001 0.000 0.248 1043 V C 2.413 178.548 176.094 0.069 0.000 1.055 1043 V CA 2.113 64.557 62.300 0.240 0.000 1.038 1043 V CB -0.651 31.282 31.823 0.183 0.000 0.651 1043 V HN 0.494 nan 8.190 nan 0.000 0.450 1044 L N -0.561 120.566 121.223 -0.159 0.000 2.046 1044 L HA -0.197 4.143 4.340 0.001 0.000 0.208 1044 L C 2.286 179.228 176.870 0.119 0.000 1.077 1044 L CA 2.116 56.885 54.840 -0.119 0.000 0.747 1044 L CB -0.976 40.851 42.059 -0.387 0.000 0.896 1044 L HN 0.494 nan 8.230 nan 0.000 0.432 1045 Y N 0.582 120.916 120.300 0.058 0.000 2.128 1045 Y HA -0.284 4.266 4.550 0.001 0.000 0.284 1045 Y C 2.393 178.358 175.900 0.108 0.000 1.154 1045 Y CA 2.261 60.446 58.100 0.142 0.000 1.149 1045 Y CB -0.214 38.402 38.460 0.260 0.000 0.976 1045 Y HN 0.367 nan 8.280 nan 0.000 0.505 1046 E N 0.326 120.645 120.200 0.199 0.000 2.049 1046 E HA -0.271 4.079 4.350 0.001 0.000 0.198 1046 E C 2.264 178.829 176.600 -0.058 0.000 1.007 1046 E CA 1.834 58.299 56.400 0.108 0.000 0.809 1046 E CB -0.463 29.401 29.700 0.272 0.000 0.749 1046 E HN 0.518 nan 8.360 nan 0.000 0.450 1047 L N -0.226 120.968 121.223 -0.047 0.000 2.013 1047 L HA -0.206 4.134 4.340 0.001 0.000 0.212 1047 L C 2.301 178.820 176.870 -0.586 0.000 1.073 1047 L CA 1.295 55.996 54.840 -0.232 0.000 0.753 1047 L CB -0.396 41.575 42.059 -0.147 0.000 0.890 1047 L HN 0.113 nan 8.230 nan 0.000 0.432 1048 F N -0.359 119.354 119.950 -0.396 0.000 2.748 1048 F HA -0.074 4.453 4.527 0.001 0.000 0.299 1048 F C 2.385 177.946 175.800 -0.398 0.000 1.154 1048 F CA 1.091 58.819 58.000 -0.453 0.000 1.446 1048 F CB -0.396 38.422 39.000 -0.304 0.000 1.112 1048 F HN 0.153 nan 8.300 nan 0.000 0.584 1049 T N -5.108 109.258 114.554 -0.312 0.000 3.086 1049 T HA -0.013 4.338 4.350 0.001 0.000 0.250 1049 T C 0.391 175.114 174.700 0.037 0.000 1.074 1049 T CA -0.013 61.981 62.100 -0.176 0.000 0.988 1049 T CB -0.796 67.862 68.868 -0.350 0.000 0.988 1049 T HN 0.282 nan 8.240 nan 0.000 0.530 1050 Y N 2.081 122.333 120.300 -0.079 0.000 3.825 1050 Y HA -0.209 4.341 4.550 0.001 0.000 0.221 1050 Y C 0.629 176.520 175.900 -0.014 0.000 1.195 1050 Y CA 0.227 58.302 58.100 -0.042 0.000 1.699 1050 Y CB -2.462 35.975 38.460 -0.038 0.000 1.531 1050 Y HN 0.295 nan 8.280 nan 0.000 0.640 1051 I N -1.572 119.041 120.570 0.073 0.000 6.133 1051 I HA -0.315 3.855 4.170 0.001 0.000 0.126 1051 I C 0.873 177.039 176.117 0.081 0.000 1.819 1051 I CA 1.272 62.625 61.300 0.088 0.000 2.061 1051 I CB -1.772 36.288 38.000 0.101 0.000 3.437 1051 I HN 0.643 nan 8.210 nan 0.000 0.177 1052 E N 1.872 122.114 120.200 0.070 0.000 2.328 1052 E HA 0.250 4.600 4.350 0.001 0.000 0.265 1052 E C 1.551 178.181 176.600 0.049 0.000 1.057 1052 E CA 0.775 57.206 56.400 0.052 0.000 0.916 1052 E CB 0.907 30.633 29.700 0.043 0.000 0.993 1052 E HN 0.446 nan 8.360 nan 0.000 0.446 1053 K N 2.615 123.042 120.400 0.044 0.000 2.074 1053 K HA -0.214 4.107 4.320 0.001 0.000 0.209 1053 K C 1.978 178.596 176.600 0.030 0.000 1.048 1053 K CA 2.228 58.542 56.287 0.045 0.000 0.926 1053 K CB -1.214 31.308 32.500 0.036 0.000 0.713 1053 K HN 0.694 nan 8.250 nan 0.000 0.444 1054 S N 0.418 116.129 115.700 0.018 0.000 2.442 1054 S HA -0.088 4.382 4.470 0.001 0.000 0.236 1054 S C 1.552 176.154 174.600 0.004 0.000 1.007 1054 S CA 1.126 59.329 58.200 0.004 0.000 0.965 1054 S CB 0.084 63.285 63.200 0.001 0.000 0.773 1054 S HN 0.530 nan 8.310 nan 0.000 0.504 1055 K N 2.234 122.650 120.400 0.026 0.000 2.358 1055 K HA 0.242 4.562 4.320 0.001 0.000 0.197 1055 K C 0.702 177.375 176.600 0.122 0.000 1.025 1055 K CA 0.253 56.574 56.287 0.057 0.000 1.104 1055 K CB 0.300 32.822 32.500 0.036 0.000 0.855 1055 K HN 0.606 nan 8.250 nan 0.000 0.531 1056 S N 1.484 117.230 115.700 0.077 0.000 2.568 1056 S HA 0.095 4.566 4.470 0.001 0.000 0.282 1056 S C -1.777 172.801 174.600 -0.036 0.000 1.338 1056 S CA -0.797 57.462 58.200 0.099 0.000 1.045 1056 S CB 1.059 64.319 63.200 0.100 0.000 0.873 1056 S HN -0.160 nan 8.310 nan 0.000 0.516 1057 P HA -0.056 nan 4.420 nan 0.000 0.215 1057 P C -1.525 175.528 177.300 -0.412 0.000 1.157 1057 P CA 1.430 64.270 63.100 -0.434 0.000 0.874 1057 P CB -1.210 30.041 31.700 -0.748 0.000 0.790 1058 P HA -0.168 nan 4.420 nan 0.000 0.215 1058 P C 1.520 178.485 177.300 -0.559 0.000 1.157 1058 P CA 2.120 64.719 63.100 -0.835 0.000 0.868 1058 P CB -0.671 30.880 31.700 -0.249 0.000 0.788 1059 A N -0.140 122.520 122.820 -0.268 0.000 1.902 1059 A HA -0.211 4.110 4.320 0.001 0.000 0.217 1059 A C 2.225 179.688 177.584 -0.201 0.000 1.181 1059 A CA 1.545 53.477 52.037 -0.175 0.000 0.623 1059 A CB -1.092 17.857 19.000 -0.086 0.000 0.818 1059 A HN 0.077 nan 8.150 nan 0.000 0.443 1060 E N -0.718 119.321 120.200 -0.269 0.000 2.047 1060 E HA -0.111 4.239 4.350 0.001 0.000 0.191 1060 E C 1.804 178.205 176.600 -0.332 0.000 0.987 1060 E CA 0.921 57.131 56.400 -0.317 0.000 0.799 1060 E CB -0.427 29.023 29.700 -0.416 0.000 0.752 1060 E HN 0.749 nan 8.360 nan 0.000 0.449 1061 F N 0.388 120.154 119.950 -0.307 0.000 2.171 1061 F HA -0.178 4.349 4.527 0.000 0.000 0.300 1061 F C 2.509 178.234 175.800 -0.124 0.000 1.090 1061 F CA 0.581 58.462 58.000 -0.198 0.000 1.293 1061 F CB -0.089 38.842 39.000 -0.117 0.000 1.013 1061 F HN 0.008 nan 8.300 nan 0.000 0.486 1062 M N -0.186 119.388 119.600 -0.043 0.000 2.117 1062 M HA -0.182 4.298 4.480 0.001 0.000 0.262 1062 M C 2.217 178.518 176.300 0.001 0.000 1.065 1062 M CA 1.435 56.737 55.300 0.005 0.000 1.114 1062 M CB -1.247 31.322 32.600 -0.051 0.000 1.361 1062 M HN 0.120 nan 8.290 nan 0.000 0.408 1063 R N 0.025 120.501 120.500 -0.041 0.000 2.081 1063 R HA -0.118 4.222 4.340 0.001 0.000 0.235 1063 R C 2.126 178.418 176.300 -0.014 0.000 1.131 1063 R CA 1.501 57.580 56.100 -0.035 0.000 0.960 1063 R CB -0.104 30.161 30.300 -0.059 0.000 0.856 1063 R HN 0.301 nan 8.270 nan 0.000 0.436 1064 M N 0.566 120.163 119.600 -0.005 0.000 2.175 1064 M HA -0.110 4.370 4.480 0.001 0.000 0.264 1064 M C 2.258 178.591 176.300 0.055 0.000 1.063 1064 M CA 1.539 56.854 55.300 0.025 0.000 1.119 1064 M CB -0.119 32.504 32.600 0.038 0.000 1.377 1064 M HN 0.338 nan 8.290 nan 0.000 0.415 1065 I N -2.642 117.977 120.570 0.081 0.000 3.226 1065 I HA 0.344 4.515 4.170 0.001 0.000 0.277 1065 I C 0.633 176.736 176.117 -0.023 0.000 1.243 1065 I CA 0.331 61.668 61.300 0.062 0.000 1.459 1065 I CB -0.304 37.774 38.000 0.130 0.000 1.093 1065 I HN 0.253 nan 8.210 nan 0.000 0.453 1066 G N 2.052 110.848 108.800 -0.008 0.000 3.233 1066 G HA2 -0.194 3.767 3.960 0.001 0.000 0.686 1066 G HA3 -0.194 3.767 3.960 0.001 0.000 0.686 1066 G C -0.429 174.463 174.900 -0.013 0.000 1.153 1066 G CA -0.156 44.926 45.100 -0.029 0.000 0.853 1066 G HN 0.395 nan 8.290 nan 0.000 0.582 1067 N N 0.512 119.208 118.700 -0.007 0.000 2.520 1067 N HA -0.038 4.702 4.740 0.001 0.000 0.185 1067 N C 1.941 177.455 175.510 0.007 0.000 1.068 1067 N CA 1.066 54.119 53.050 0.005 0.000 0.911 1067 N CB 0.134 38.621 38.487 0.001 0.000 0.961 1067 N HN 0.747 nan 8.380 nan 0.000 0.446 1068 D N 0.272 120.668 120.400 -0.007 0.000 2.317 1068 D HA -0.096 4.544 4.640 0.001 0.000 0.211 1068 D C 0.014 176.312 176.300 -0.003 0.000 0.966 1068 D CA 0.634 54.630 54.000 -0.007 0.000 0.876 1068 D CB 0.085 40.875 40.800 -0.018 0.000 0.927 1068 D HN -0.032 nan 8.370 nan 0.000 0.519 1069 K N 1.291 121.685 120.400 -0.010 0.000 2.350 1069 K HA 0.248 4.569 4.320 0.001 0.000 0.279 1069 K C 0.325 176.963 176.600 0.064 0.000 1.027 1069 K CA 0.089 56.386 56.287 0.017 0.000 0.969 1069 K CB 1.059 33.564 32.500 0.009 0.000 0.954 1069 K HN 0.329 nan 8.250 nan 0.000 0.474 1070 Q N -0.030 119.813 119.800 0.073 0.000 2.421 1070 Q HA 0.509 4.850 4.340 0.001 0.000 0.280 1070 Q C 0.402 176.445 176.000 0.071 0.000 1.085 1070 Q CA -0.627 55.217 55.803 0.069 0.000 0.807 1070 Q CB 2.154 30.921 28.738 0.048 0.000 1.405 1070 Q HN 0.751 nan 8.270 nan 0.000 0.419 1071 G N 1.654 110.491 108.800 0.062 0.000 2.634 1071 G HA2 -0.460 3.501 3.960 0.001 0.000 0.309 1071 G HA3 -0.460 3.501 3.960 0.001 0.000 0.309 1071 G C 0.801 175.731 174.900 0.050 0.000 1.265 1071 G CA 1.005 46.132 45.100 0.045 0.000 0.998 1071 G HN 0.873 nan 8.290 nan 0.000 0.551 1072 Q N -0.861 118.963 119.800 0.040 0.000 2.234 1072 Q HA -0.051 4.289 4.340 0.001 0.000 0.206 1072 Q C 2.522 178.578 176.000 0.093 0.000 0.980 1072 Q CA 2.323 58.152 55.803 0.044 0.000 0.869 1072 Q CB -0.220 28.533 28.738 0.024 0.000 0.912 1072 Q HN 0.540 nan 8.270 nan 0.000 0.436 1073 M N 0.716 120.388 119.600 0.119 0.000 2.279 1073 M HA -0.068 4.412 4.480 0.001 0.000 0.264 1073 M C 2.088 178.593 176.300 0.342 0.000 1.062 1073 M CA 1.054 56.500 55.300 0.244 0.000 1.099 1073 M CB -0.753 31.986 32.600 0.233 0.000 1.394 1073 M HN 0.304 nan 8.290 nan 0.000 0.426 1074 I N -0.585 120.107 120.570 0.203 0.000 2.163 1074 I HA -0.282 3.888 4.170 0.001 0.000 0.243 1074 I C 2.341 178.525 176.117 0.112 0.000 1.085 1074 I CA 1.074 62.479 61.300 0.175 0.000 1.347 1074 I CB -0.501 37.577 38.000 0.130 0.000 1.044 1074 I HN 0.029 nan 8.210 nan 0.000 0.408 1075 V N 0.709 120.653 119.914 0.050 0.000 2.295 1075 V HA -0.307 3.813 4.120 0.001 0.000 0.246 1075 V C 2.271 178.375 176.094 0.016 0.000 1.049 1075 V CA 2.005 64.294 62.300 -0.019 0.000 1.024 1075 V CB -0.800 31.009 31.823 -0.023 0.000 0.648 1075 V HN 0.386 nan 8.190 nan 0.000 0.447 1076 F N 1.252 121.169 119.950 -0.055 0.000 2.065 1076 F HA -0.265 4.262 4.527 0.001 0.000 0.298 1076 F C 2.369 178.068 175.800 -0.168 0.000 1.112 1076 F CA 2.449 60.373 58.000 -0.126 0.000 1.212 1076 F CB -0.585 38.313 39.000 -0.171 0.000 0.975 1076 F HN 0.254 nan 8.300 nan 0.000 0.476 1077 H N -0.760 118.276 119.070 -0.056 0.000 2.389 1077 H HA -0.094 4.462 4.556 0.000 0.000 0.299 1077 H C 1.944 177.180 175.328 -0.153 0.000 1.081 1077 H CA 1.562 57.522 56.048 -0.146 0.000 1.345 1077 H CB -0.364 29.443 29.762 0.075 0.000 1.393 1077 H HN 0.327 nan 8.280 nan 0.000 0.520 1078 L N 0.486 121.703 121.223 -0.011 0.000 2.046 1078 L HA -0.119 4.222 4.340 0.001 0.000 0.208 1078 L C 1.912 178.677 176.870 -0.175 0.000 1.077 1078 L CA 1.413 56.195 54.840 -0.096 0.000 0.747 1078 L CB -0.550 41.409 42.059 -0.167 0.000 0.896 1078 L HN 0.289 nan 8.230 nan 0.000 0.432 1079 I N -0.580 119.859 120.570 -0.218 0.000 2.163 1079 I HA -0.273 3.897 4.170 0.001 0.000 0.243 1079 I C 2.446 178.422 176.117 -0.235 0.000 1.085 1079 I CA 1.196 62.357 61.300 -0.232 0.000 1.347 1079 I CB -0.407 37.453 38.000 -0.233 0.000 1.044 1079 I HN 0.296 nan 8.210 nan 0.000 0.408 1080 E N 0.409 120.407 120.200 -0.336 0.000 2.077 1080 E HA -0.225 4.126 4.350 0.001 0.000 0.193 1080 E C 2.103 178.623 176.600 -0.133 0.000 0.989 1080 E CA 1.100 57.326 56.400 -0.291 0.000 0.800 1080 E CB -0.516 28.912 29.700 -0.454 0.000 0.746 1080 E HN 0.332 nan 8.360 nan 0.000 0.452 1081 L N 0.841 122.014 121.223 -0.083 0.000 1.989 1081 L HA -0.181 4.159 4.340 0.001 0.000 0.211 1081 L C 2.339 179.221 176.870 0.021 0.000 1.071 1081 L CA 1.544 56.387 54.840 0.005 0.000 0.749 1081 L CB -0.548 41.551 42.059 0.067 0.000 0.890 1081 L HN 0.080 nan 8.230 nan 0.000 0.431 1082 L N -0.592 120.628 121.223 -0.004 0.000 2.083 1082 L HA -0.241 4.100 4.340 0.001 0.000 0.209 1082 L C 2.639 179.533 176.870 0.040 0.000 1.083 1082 L CA 1.608 56.477 54.840 0.049 0.000 0.752 1082 L CB -0.686 41.370 42.059 -0.005 0.000 0.899 1082 L HN 0.338 nan 8.230 nan 0.000 0.433 1083 K N 0.319 120.704 120.400 -0.024 0.000 2.152 1083 K HA -0.176 4.144 4.320 0.001 0.000 0.206 1083 K C 1.308 177.910 176.600 0.003 0.000 1.048 1083 K CA 1.349 57.621 56.287 -0.025 0.000 0.933 1083 K CB 0.033 32.493 32.500 -0.066 0.000 0.721 1083 K HN 0.345 nan 8.250 nan 0.000 0.447 1084 N N 1.199 119.903 118.700 0.007 0.000 2.276 1084 N HA 0.005 4.745 4.740 0.001 0.000 0.212 1084 N C -0.604 174.930 175.510 0.040 0.000 1.127 1084 N CA 0.122 53.183 53.050 0.018 0.000 0.834 1084 N CB 0.412 38.904 38.487 0.008 0.000 1.014 1084 N HN 0.219 nan 8.380 nan 0.000 0.491 1085 N N 0.275 119.012 118.700 0.061 0.000 2.741 1085 N HA -0.123 4.617 4.740 0.001 0.000 0.250 1085 N C 0.308 175.865 175.510 0.078 0.000 1.115 1085 N CA 0.798 53.897 53.050 0.082 0.000 0.724 1085 N CB -1.382 37.145 38.487 0.068 0.000 1.090 1085 N HN 0.321 nan 8.380 nan 0.000 0.558 1086 G N 0.359 109.207 108.800 0.079 0.000 2.340 1086 G HA2 0.342 4.302 3.960 0.001 0.000 0.245 1086 G HA3 0.342 4.302 3.960 0.001 0.000 0.245 1086 G C 0.391 175.352 174.900 0.102 0.000 1.294 1086 G CA 0.051 45.200 45.100 0.082 0.000 0.896 1086 G HN 0.140 nan 8.290 nan 0.000 0.522 1087 R N 1.237 121.744 120.500 0.013 0.000 2.739 1087 R HA 0.284 4.625 4.340 0.001 0.000 0.271 1087 R C -0.235 175.850 176.300 -0.358 0.000 1.010 1087 R CA -1.062 54.957 56.100 -0.136 0.000 0.897 1087 R CB 1.277 31.549 30.300 -0.047 0.000 1.236 1087 R HN 0.468 nan 8.270 nan 0.000 0.466 1088 L N 3.680 124.432 121.223 -0.786 0.000 2.543 1088 L HA 0.069 4.409 4.340 0.001 0.000 0.285 1088 L C -1.481 175.256 176.870 -0.222 0.000 1.236 1088 L CA -0.791 53.564 54.840 -0.809 0.000 0.871 1088 L CB -0.074 41.159 42.059 -1.377 0.000 1.121 1088 L HN 0.264 nan 8.230 nan 0.000 0.501 1089 P HA 0.071 nan 4.420 nan 0.000 0.276 1089 P C -0.803 176.589 177.300 0.153 0.000 1.252 1089 P CA -0.751 62.385 63.100 0.060 0.000 0.802 1089 P CB 0.575 32.275 31.700 -0.001 0.000 1.035 1090 R N 2.056 122.461 120.500 -0.157 0.000 2.480 1090 R HA 0.105 4.445 4.340 0.001 0.000 0.303 1090 R C -1.980 174.214 176.300 -0.176 0.000 0.985 1090 R CA -0.987 54.786 56.100 -0.545 0.000 1.051 1090 R CB -0.754 28.821 30.300 -1.208 0.000 0.935 1090 R HN 0.340 nan 8.270 nan 0.000 0.410 1091 P HA -0.027 nan 4.420 nan 0.000 0.266 1091 P C -1.093 176.171 177.300 -0.061 0.000 1.195 1091 P CA 0.064 63.116 63.100 -0.080 0.000 0.768 1091 P CB 0.446 32.067 31.700 -0.132 0.000 0.838 1092 D N 2.046 122.435 120.400 -0.019 0.000 2.531 1092 D HA 0.169 4.809 4.640 0.001 0.000 0.239 1092 D C 1.635 177.977 176.300 0.069 0.000 1.144 1092 D CA 1.619 55.624 54.000 0.008 0.000 0.869 1092 D CB -0.078 40.733 40.800 0.019 0.000 1.160 1092 D HN 0.697 nan 8.370 nan 0.000 0.484 1093 G N 1.930 110.766 108.800 0.061 0.000 2.162 1093 G HA2 -0.308 3.652 3.960 0.001 0.000 0.260 1093 G HA3 -0.308 3.652 3.960 0.001 0.000 0.260 1093 G C 0.604 175.614 174.900 0.183 0.000 0.976 1093 G CA 0.219 45.401 45.100 0.138 0.000 0.655 1093 G HN 0.744 nan 8.290 nan 0.000 0.533 1094 C N 2.456 121.788 119.300 0.053 0.000 2.632 1094 C HA 0.593 5.053 4.460 0.001 0.000 0.415 1094 C C -0.980 173.931 174.990 -0.131 0.000 1.332 1094 C CA -1.641 57.326 59.018 -0.085 0.000 1.874 1094 C CB -0.054 27.576 27.740 -0.184 0.000 2.596 1094 C HN 0.414 nan 8.230 nan 0.000 0.590 1095 P HA 0.103 nan 4.420 nan 0.000 0.267 1095 P C 0.270 177.500 177.300 -0.116 0.000 1.200 1095 P CA 0.446 63.475 63.100 -0.119 0.000 0.772 1095 P CB 0.522 32.132 31.700 -0.150 0.000 0.855 1096 D N 1.292 121.667 120.400 -0.042 0.000 2.117 1096 D HA -0.185 4.456 4.640 0.001 0.000 0.197 1096 D C 1.517 177.805 176.300 -0.020 0.000 0.987 1096 D CA 1.333 55.337 54.000 0.007 0.000 0.829 1096 D CB 0.003 40.814 40.800 0.019 0.000 0.961 1096 D HN 0.471 nan 8.370 nan 0.000 0.460 1097 E N -0.570 119.595 120.200 -0.058 0.000 2.160 1097 E HA -0.167 4.183 4.350 0.001 0.000 0.195 1097 E C 1.872 178.393 176.600 -0.133 0.000 0.991 1097 E CA 0.573 56.925 56.400 -0.080 0.000 0.810 1097 E CB 0.099 29.762 29.700 -0.062 0.000 0.742 1097 E HN 0.397 nan 8.360 nan 0.000 0.466 1098 I N -0.089 120.360 120.570 -0.202 0.000 2.333 1098 I HA -0.227 3.944 4.170 0.001 0.000 0.246 1098 I C 2.175 178.127 176.117 -0.274 0.000 1.106 1098 I CA 1.144 62.251 61.300 -0.323 0.000 1.411 1098 I CB -1.270 36.325 38.000 -0.675 0.000 1.082 1098 I HN 0.207 nan 8.210 nan 0.000 0.420 1099 Y N 1.567 121.666 120.300 -0.335 0.000 2.165 1099 Y HA -0.279 4.271 4.550 0.001 0.000 0.286 1099 Y C 2.797 178.547 175.900 -0.250 0.000 1.155 1099 Y CA 1.641 59.581 58.100 -0.265 0.000 1.164 1099 Y CB -0.007 38.350 38.460 -0.171 0.000 0.978 1099 Y HN 0.002 nan 8.280 nan 0.000 0.513 1100 M N -0.175 119.262 119.600 -0.273 0.000 2.108 1100 M HA -0.258 4.222 4.480 0.001 0.000 0.261 1100 M C 2.057 178.151 176.300 -0.343 0.000 1.066 1100 M CA 1.784 56.886 55.300 -0.330 0.000 1.107 1100 M CB -0.441 32.051 32.600 -0.179 0.000 1.356 1100 M HN 0.336 nan 8.290 nan 0.000 0.406 1101 I N 0.104 120.504 120.570 -0.284 0.000 2.127 1101 I HA -0.343 3.827 4.170 0.001 0.000 0.241 1101 I C 2.540 178.395 176.117 -0.437 0.000 1.075 1101 I CA 1.503 62.644 61.300 -0.266 0.000 1.334 1101 I CB -0.376 37.532 38.000 -0.153 0.000 1.040 1101 I HN 0.338 nan 8.210 nan 0.000 0.405 1102 M N 0.277 119.515 119.600 -0.603 0.000 2.088 1102 M HA -0.250 4.230 4.480 0.001 0.000 0.256 1102 M C 2.511 177.968 176.300 -1.405 0.000 1.071 1102 M CA 2.746 57.371 55.300 -1.125 0.000 1.097 1102 M CB -0.961 30.970 32.600 -1.116 0.000 1.315 1102 M HN 0.463 nan 8.290 nan 0.000 0.406 1103 T N -2.101 111.890 114.554 -0.938 0.000 2.867 1103 T HA -0.108 4.242 4.350 0.001 0.000 0.268 1103 T C 1.470 175.935 174.700 -0.391 0.000 1.057 1103 T CA 1.454 63.202 62.100 -0.586 0.000 1.136 1103 T CB -0.437 68.113 68.868 -0.530 0.000 0.874 1103 T HN 0.465 nan 8.240 nan 0.000 0.466 1104 E N 0.221 120.193 120.200 -0.381 0.000 2.106 1104 E HA -0.048 4.302 4.350 0.001 0.000 0.192 1104 E C 2.455 178.922 176.600 -0.223 0.000 0.984 1104 E CA 1.256 57.513 56.400 -0.238 0.000 0.806 1104 E CB -0.391 29.192 29.700 -0.195 0.000 0.750 1104 E HN 0.564 nan 8.360 nan 0.000 0.458 1105 C N 0.411 119.496 119.300 -0.359 0.000 2.425 1105 C HA -0.121 4.340 4.460 0.001 0.000 0.277 1105 C C 1.159 176.016 174.990 -0.222 0.000 1.280 1105 C CA 0.084 58.930 59.018 -0.286 0.000 1.744 1105 C CB -0.854 26.662 27.740 -0.373 0.000 1.989 1105 C HN 0.521 nan 8.230 nan 0.000 0.491 1106 W N 2.231 123.248 121.300 -0.471 0.000 2.666 1106 W HA 0.315 4.975 4.660 -0.000 0.000 0.445 1106 W C 0.427 176.795 176.519 -0.253 0.000 0.693 1106 W CA -0.831 55.962 57.345 -0.920 0.000 2.192 1106 W CB -1.652 27.181 29.460 -1.045 0.000 1.086 1106 W HN 0.332 nan 8.180 nan 0.000 0.747 1107 N N 1.413 120.238 118.700 0.208 0.000 2.472 1107 N HA 0.015 4.755 4.740 0.001 0.000 0.277 1107 N C 1.071 176.811 175.510 0.383 0.000 1.081 1107 N CA 0.164 53.352 53.050 0.230 0.000 0.973 1107 N CB 0.764 39.321 38.487 0.116 0.000 1.105 1107 N HN -0.011 nan 8.380 nan 0.000 0.470 1108 N N 1.638 120.515 118.700 0.295 0.000 2.205 1108 N HA -0.164 4.576 4.740 0.001 0.000 0.186 1108 N C 0.091 175.664 175.510 0.104 0.000 1.015 1108 N CA 0.802 53.968 53.050 0.193 0.000 0.862 1108 N CB -0.278 38.278 38.487 0.114 0.000 0.986 1108 N HN 0.578 nan 8.380 nan 0.000 0.429 1109 N N 1.369 120.125 118.700 0.092 0.000 2.399 1109 N HA 0.010 4.751 4.740 0.001 0.000 0.259 1109 N C 1.101 176.646 175.510 0.059 0.000 1.160 1109 N CA 0.001 53.082 53.050 0.052 0.000 0.946 1109 N CB 0.927 39.436 38.487 0.036 0.000 1.156 1109 N HN -0.216 nan 8.380 nan 0.000 0.489 1110 V N 3.828 123.764 119.914 0.037 0.000 2.332 1110 V HA -0.252 3.868 4.120 0.001 0.000 0.248 1110 V C 1.788 177.899 176.094 0.028 0.000 1.055 1110 V CA 1.513 63.834 62.300 0.036 0.000 1.038 1110 V CB -0.435 31.387 31.823 -0.001 0.000 0.651 1110 V HN 0.656 nan 8.190 nan 0.000 0.450 1111 N N -0.280 118.429 118.700 0.014 0.000 2.459 1111 N HA -0.102 4.638 4.740 0.001 0.000 0.181 1111 N C 1.813 177.324 175.510 0.002 0.000 1.046 1111 N CA 0.801 53.854 53.050 0.005 0.000 0.904 1111 N CB -0.155 38.333 38.487 0.000 0.000 0.964 1111 N HN 0.615 nan 8.380 nan 0.000 0.444 1112 Q N -0.085 119.721 119.800 0.010 0.000 2.424 1112 Q HA 0.125 4.465 4.340 0.001 0.000 0.204 1112 Q C 0.091 176.086 176.000 -0.008 0.000 0.933 1112 Q CA 0.070 55.873 55.803 0.001 0.000 0.929 1112 Q CB 0.441 29.183 28.738 0.008 0.000 1.037 1112 Q HN 0.248 nan 8.270 nan 0.000 0.511 1113 R N 2.272 122.774 120.500 0.004 0.000 2.590 1113 R HA 0.088 4.428 4.340 0.001 0.000 0.274 1113 R C -2.121 174.140 176.300 -0.065 0.000 1.061 1113 R CA -1.167 54.924 56.100 -0.016 0.000 1.081 1113 R CB -0.121 30.195 30.300 0.025 0.000 0.984 1113 R HN 0.041 nan 8.270 nan 0.000 0.448 1114 P HA -0.007 nan 4.420 nan 0.000 0.272 1114 P C -0.620 176.571 177.300 -0.180 0.000 1.240 1114 P CA -0.353 62.675 63.100 -0.120 0.000 0.791 1114 P CB 0.729 32.355 31.700 -0.124 0.000 0.978 1115 S N -0.342 115.271 115.700 -0.145 0.000 2.632 1115 S HA 0.273 4.743 4.470 0.001 0.000 0.271 1115 S C 0.969 175.455 174.600 -0.189 0.000 1.260 1115 S CA -0.430 57.676 58.200 -0.157 0.000 1.010 1115 S CB 0.138 63.308 63.200 -0.049 0.000 0.965 1115 S HN 0.203 nan 8.310 nan 0.000 0.534 1116 F N 0.799 120.700 119.950 -0.081 0.000 2.171 1116 F HA 0.064 4.592 4.527 0.001 0.000 0.300 1116 F C 2.722 178.462 175.800 -0.099 0.000 1.090 1116 F CA 1.347 59.261 58.000 -0.143 0.000 1.293 1116 F CB -0.492 38.425 39.000 -0.138 0.000 1.013 1116 F HN 0.677 nan 8.300 nan 0.000 0.486 1117 R N 0.574 121.147 120.500 0.122 0.000 2.083 1117 R HA -0.191 4.149 4.340 0.001 0.000 0.237 1117 R C 1.771 178.091 176.300 0.033 0.000 1.137 1117 R CA 2.220 58.360 56.100 0.067 0.000 0.951 1117 R CB -0.417 29.913 30.300 0.050 0.000 0.851 1117 R HN 0.142 nan 8.270 nan 0.000 0.434 1118 D N 0.408 120.811 120.400 0.006 0.000 2.117 1118 D HA -0.120 4.521 4.640 0.001 0.000 0.198 1118 D C 2.034 178.326 176.300 -0.014 0.000 0.982 1118 D CA 0.975 54.969 54.000 -0.011 0.000 0.828 1118 D CB -0.159 40.624 40.800 -0.029 0.000 0.967 1118 D HN 0.271 nan 8.370 nan 0.000 0.464 1119 L N 0.687 121.889 121.223 -0.035 0.000 2.042 1119 L HA -0.167 4.173 4.340 0.001 0.000 0.210 1119 L C 2.508 179.386 176.870 0.014 0.000 1.076 1119 L CA 1.221 56.043 54.840 -0.029 0.000 0.749 1119 L CB -0.428 41.562 42.059 -0.115 0.000 0.893 1119 L HN -0.016 nan 8.230 nan 0.000 0.432 1120 A N -0.021 122.813 122.820 0.024 0.000 1.902 1120 A HA -0.155 4.165 4.320 0.001 0.000 0.217 1120 A C 2.260 179.870 177.584 0.042 0.000 1.181 1120 A CA 1.351 53.414 52.037 0.043 0.000 0.623 1120 A CB -0.644 18.385 19.000 0.050 0.000 0.818 1120 A HN 0.327 nan 8.150 nan 0.000 0.443 1121 L N -0.977 120.265 121.223 0.031 0.000 2.017 1121 L HA -0.220 4.121 4.340 0.001 0.000 0.208 1121 L C 2.906 179.789 176.870 0.022 0.000 1.073 1121 L CA 1.766 56.621 54.840 0.025 0.000 0.745 1121 L CB -0.414 41.655 42.059 0.017 0.000 0.894 1121 L HN 0.340 nan 8.230 nan 0.000 0.432 1122 R N -0.919 119.591 120.500 0.017 0.000 2.081 1122 R HA -0.130 4.210 4.340 0.001 0.000 0.235 1122 R C 2.193 178.508 176.300 0.025 0.000 1.131 1122 R CA 1.329 57.436 56.100 0.012 0.000 0.960 1122 R CB -0.551 29.748 30.300 -0.001 0.000 0.856 1122 R HN 0.178 nan 8.270 nan 0.000 0.436 1123 V N 1.486 121.427 119.914 0.046 0.000 2.295 1123 V HA -0.232 3.889 4.120 0.001 0.000 0.246 1123 V C 1.514 177.642 176.094 0.057 0.000 1.049 1123 V CA 1.947 64.287 62.300 0.067 0.000 1.024 1123 V CB -0.449 31.444 31.823 0.117 0.000 0.648 1123 V HN 0.243 nan 8.190 nan 0.000 0.447 1124 D N -0.511 119.920 120.400 0.051 0.000 2.149 1124 D HA -0.201 4.440 4.640 0.001 0.000 0.198 1124 D C 2.182 178.501 176.300 0.032 0.000 0.990 1124 D CA 1.402 55.427 54.000 0.042 0.000 0.839 1124 D CB -0.229 40.594 40.800 0.039 0.000 0.948 1124 D HN 0.423 nan 8.370 nan 0.000 0.460 1125 Q N 0.433 120.248 119.800 0.026 0.000 2.050 1125 Q HA -0.064 4.276 4.340 0.001 0.000 0.202 1125 Q C 2.111 178.122 176.000 0.019 0.000 0.980 1125 Q CA 1.119 56.933 55.803 0.019 0.000 0.840 1125 Q CB -0.409 28.336 28.738 0.013 0.000 0.898 1125 Q HN 0.343 nan 8.270 nan 0.000 0.424 1126 I N -0.092 120.491 120.570 0.021 0.000 2.208 1126 I HA -0.335 3.835 4.170 0.001 0.000 0.245 1126 I C 2.359 178.496 176.117 0.033 0.000 1.097 1126 I CA 1.503 62.817 61.300 0.022 0.000 1.363 1126 I CB -0.275 37.735 38.000 0.017 0.000 1.051 1126 I HN 0.182 nan 8.210 nan 0.000 0.413 1127 R N 0.342 120.866 120.500 0.040 0.000 2.091 1127 R HA -0.195 4.145 4.340 0.001 0.000 0.238 1127 R C 2.099 178.418 176.300 0.030 0.000 1.136 1127 R CA 1.634 57.758 56.100 0.040 0.000 0.959 1127 R CB -0.457 29.867 30.300 0.039 0.000 0.856 1127 R HN 0.365 nan 8.270 nan 0.000 0.437 1128 D N 0.418 120.833 120.400 0.025 0.000 2.097 1128 D HA -0.128 4.512 4.640 0.001 0.000 0.195 1128 D C 1.413 177.724 176.300 0.019 0.000 0.989 1128 D CA 1.135 55.147 54.000 0.020 0.000 0.827 1128 D CB -0.085 40.725 40.800 0.017 0.000 0.966 1128 D HN 0.129 nan 8.370 nan 0.000 0.456 1129 N N 0.070 118.781 118.700 0.020 0.000 2.120 1129 N HA -0.103 4.638 4.740 0.001 0.000 0.188 1129 N C 2.006 177.530 175.510 0.023 0.000 1.024 1129 N CA 0.740 53.801 53.050 0.018 0.000 0.852 1129 N CB -0.375 38.122 38.487 0.016 0.000 1.003 1129 N HN 0.341 nan 8.380 nan 0.000 0.424 1130 M N 0.198 119.816 119.600 0.030 0.000 2.175 1130 M HA -0.004 4.476 4.480 0.001 0.000 0.264 1130 M C 1.017 177.334 176.300 0.028 0.000 1.063 1130 M CA 0.756 56.079 55.300 0.037 0.000 1.119 1130 M CB -0.028 32.605 32.600 0.055 0.000 1.377 1130 M HN 0.063 nan 8.290 nan 0.000 0.415 1131 A N 0.000 122.834 122.820 0.024 0.000 2.254 1131 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1131 A CA 0.000 52.047 52.037 0.017 0.000 0.836 1131 A CB 0.000 19.009 19.000 0.015 0.000 0.831 1131 A HN 0.000 nan 8.150 nan 0.000 0.486