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 3e63_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 MA 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 0.000 176.250 176.300 -0.083 0.000 2.045 840 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 840 D CB 0.000 40.801 40.800 0.002 0.000 0.688 841 P HA 0.030 nan 4.420 nan 0.000 0.233 841 P C 1.109 178.219 177.300 -0.317 0.000 1.167 841 P CA 0.759 63.731 63.100 -0.213 0.000 0.770 841 P CB 0.173 31.809 31.700 -0.105 0.000 0.837 842 T N -4.904 109.586 114.554 -0.107 0.000 3.129 842 T HA 0.081 4.431 4.350 0.001 0.000 0.251 842 T C 0.700 175.441 174.700 0.068 0.000 1.117 842 T CA -0.008 62.118 62.100 0.044 0.000 1.034 842 T CB -0.384 68.579 68.868 0.158 0.000 0.968 842 T HN -0.073 nan 8.240 nan 0.000 0.526 843 Q N 1.201 120.942 119.800 -0.099 0.000 2.368 843 Q HA 0.455 4.795 4.340 0.001 0.000 0.256 843 Q C -1.508 174.371 176.000 -0.201 0.000 0.980 843 Q CA -0.397 55.401 55.803 -0.008 0.000 0.887 843 Q CB 1.015 29.777 28.738 0.040 0.000 1.221 843 Q HN 0.446 nan 8.270 nan 0.000 0.458 844 F N 1.310 121.206 119.950 -0.091 0.000 2.426 844 F HA 0.198 4.725 4.527 0.001 0.000 0.348 844 F C 0.773 176.598 175.800 0.042 0.000 1.124 844 F CA -1.062 56.813 58.000 -0.207 0.000 1.008 844 F CB 1.445 40.196 39.000 -0.414 0.000 1.139 844 F HN 0.331 nan 8.300 nan 0.000 0.452 845 E N 1.680 122.107 120.200 0.378 0.000 2.259 845 E HA 0.092 4.442 4.350 0.001 0.000 0.281 845 E C 1.081 177.856 176.600 0.291 0.000 1.037 845 E CA 0.130 56.705 56.400 0.292 0.000 0.854 845 E CB 1.346 31.189 29.700 0.238 0.000 1.051 845 E HN 0.499 nan 8.360 nan 0.000 0.409 846 E N 4.843 125.138 120.200 0.158 0.000 2.085 846 E HA -0.243 4.107 4.350 0.001 0.000 0.194 846 E C 1.774 178.426 176.600 0.086 0.000 0.994 846 E CA 1.914 58.392 56.400 0.131 0.000 0.801 846 E CB -0.320 29.429 29.700 0.082 0.000 0.743 846 E HN 0.697 nan 8.360 nan 0.000 0.453 847 R N -1.046 119.433 120.500 -0.036 0.000 2.241 847 R HA -0.104 4.237 4.340 0.001 0.000 0.224 847 R C 1.788 178.037 176.300 -0.085 0.000 1.101 847 R CA 1.874 57.910 56.100 -0.107 0.000 0.995 847 R CB -0.592 29.589 30.300 -0.199 0.000 0.870 847 R HN 0.403 nan 8.270 nan 0.000 0.463 848 H N 0.412 119.540 119.070 0.097 0.000 2.539 848 H HA 0.246 4.803 4.556 0.001 0.000 0.269 848 H C 0.203 175.566 175.328 0.058 0.000 0.980 848 H CA -0.041 56.000 56.048 -0.012 0.000 1.152 848 H CB 0.188 29.809 29.762 -0.235 0.000 1.407 848 H HN 0.108 nan 8.280 nan 0.000 0.564 849 L N 2.156 123.555 121.223 0.293 0.000 2.325 849 L HA 0.155 4.495 4.340 0.001 0.000 0.284 849 L C 0.278 177.246 176.870 0.163 0.000 1.089 849 L CA -0.035 54.966 54.840 0.267 0.000 0.836 849 L CB 0.686 42.890 42.059 0.242 0.000 1.184 849 L HN -0.165 nan 8.230 nan 0.000 0.444 850 K N 4.243 124.720 120.400 0.128 0.000 2.234 850 K HA 0.255 4.575 4.320 0.001 0.000 0.277 850 K C -0.440 176.225 176.600 0.108 0.000 1.038 850 K CA -0.641 55.711 56.287 0.107 0.000 0.888 850 K CB 1.375 33.914 32.500 0.064 0.000 1.091 850 K HN 0.248 nan 8.250 nan 0.000 0.467 851 F N 3.902 123.855 119.950 0.005 0.000 2.572 851 F HA -0.045 4.482 4.527 0.001 0.000 0.370 851 F C 0.425 176.210 175.800 -0.024 0.000 1.103 851 F CA 0.446 58.439 58.000 -0.012 0.000 1.286 851 F CB 0.412 39.406 39.000 -0.009 0.000 1.105 851 F HN 0.488 nan 8.300 nan 0.000 0.583 852 L N 3.010 123.734 121.223 -0.832 0.000 2.641 852 L HA 0.242 4.582 4.340 0.001 0.000 0.207 852 L C -0.492 175.866 176.870 -0.854 0.000 1.049 852 L CA -0.023 54.451 54.840 -0.611 0.000 0.866 852 L CB 0.110 41.939 42.059 -0.384 0.000 1.264 852 L HN 0.740 nan 8.230 nan 0.000 0.483 853 Q N -1.164 117.938 119.800 -1.164 0.000 2.702 853 Q HA 0.325 4.665 4.340 0.001 0.000 0.289 853 Q C -1.592 174.152 176.000 -0.426 0.000 0.923 853 Q CA -0.795 54.582 55.803 -0.710 0.000 0.787 853 Q CB 1.309 29.887 28.738 -0.268 0.000 1.476 853 Q HN -0.036 nan 8.270 nan 0.000 0.402 854 Q N 0.810 120.610 119.800 0.001 0.000 2.288 854 Q HA 0.338 4.678 4.340 0.001 0.000 0.254 854 Q C 0.013 176.038 176.000 0.042 0.000 0.932 854 Q CA -0.023 55.845 55.803 0.109 0.000 0.902 854 Q CB 1.117 29.964 28.738 0.181 0.000 1.203 854 Q HN 0.608 nan 8.270 nan 0.000 0.415 855 L N 0.999 122.252 121.223 0.049 0.000 2.664 855 L HA 0.360 4.700 4.340 0.001 0.000 0.233 855 L C 0.756 177.657 176.870 0.051 0.000 1.113 855 L CA 0.083 54.959 54.840 0.060 0.000 0.896 855 L CB 0.426 42.538 42.059 0.088 0.000 1.163 855 L HN 0.891 nan 8.230 nan 0.000 0.497 856 G N 0.249 109.075 108.800 0.044 0.000 2.354 856 G HA2 -0.034 3.926 3.960 0.001 0.000 0.582 856 G HA3 -0.034 3.926 3.960 0.001 0.000 0.582 856 G C -1.549 173.358 174.900 0.012 0.000 1.316 856 G CA -0.966 44.150 45.100 0.026 0.000 0.995 856 G HN -0.164 nan 8.290 nan 0.000 0.573 857 K N 0.028 120.423 120.400 -0.008 0.000 2.206 857 K HA 0.644 4.965 4.320 0.001 0.000 0.264 857 K C 0.232 176.798 176.600 -0.056 0.000 0.967 857 K CA -0.110 56.158 56.287 -0.031 0.000 0.844 857 K CB 1.922 34.400 32.500 -0.036 0.000 1.099 857 K HN 1.154 nan 8.250 nan 0.000 0.441 858 G N 1.204 109.963 108.800 -0.069 0.000 4.106 858 G HA2 0.380 4.341 3.960 0.001 0.000 0.344 858 G HA3 0.380 4.341 3.960 0.001 0.000 0.344 858 G C 0.799 175.610 174.900 -0.148 0.000 1.477 858 G CA 0.465 45.512 45.100 -0.089 0.000 1.068 858 G HN 0.891 nan 8.290 nan 0.000 0.488 859 N N 0.530 119.091 118.700 -0.231 0.000 3.013 859 N HA -0.386 4.355 4.740 0.001 0.000 0.183 859 N C 1.419 176.622 175.510 -0.512 0.000 0.363 859 N CA 2.285 55.058 53.050 -0.462 0.000 1.873 859 N CB -1.651 36.468 38.487 -0.612 0.000 1.363 859 N HN 0.559 nan 8.380 nan 0.000 0.392 860 F N 2.434 122.286 119.950 -0.163 0.000 2.776 860 F HA 0.543 5.070 4.527 0.001 0.000 0.300 860 F C 1.814 177.481 175.800 -0.221 0.000 1.116 860 F CA 0.463 58.329 58.000 -0.223 0.000 1.375 860 F CB 0.391 39.138 39.000 -0.422 0.000 1.109 860 F HN 0.865 nan 8.300 nan 0.000 0.585 861 G N -0.587 108.162 108.800 -0.085 0.000 2.714 861 G HA2 0.535 4.496 3.960 0.001 0.000 0.292 861 G HA3 0.535 4.496 3.960 0.001 0.000 0.292 861 G C -1.185 173.663 174.900 -0.086 0.000 1.308 861 G CA -0.655 44.355 45.100 -0.150 0.000 0.964 861 G HN 0.052 nan 8.290 nan 0.000 0.484 862 S N -1.413 114.244 115.700 -0.070 0.000 2.566 862 S HA 0.771 5.241 4.470 0.001 0.000 0.298 862 S C -0.942 173.661 174.600 0.005 0.000 1.083 862 S CA -0.689 57.498 58.200 -0.022 0.000 0.978 862 S CB 1.991 65.186 63.200 -0.009 0.000 1.073 862 S HN 0.727 nan 8.310 nan 0.000 0.491 863 V N 2.009 121.941 119.914 0.029 0.000 2.495 863 V HA 0.574 4.694 4.120 0.001 0.000 0.298 863 V C -0.497 175.633 176.094 0.062 0.000 1.031 863 V CA -0.577 61.751 62.300 0.047 0.000 0.871 863 V CB 1.362 33.215 31.823 0.050 0.000 0.988 863 V HN 1.008 nan 8.190 nan 0.000 0.432 864 E N 3.573 123.807 120.200 0.057 0.000 2.266 864 E HA 0.470 4.820 4.350 0.001 0.000 0.268 864 E C -0.745 175.808 176.600 -0.079 0.000 0.879 864 E CA -0.810 55.608 56.400 0.030 0.000 0.762 864 E CB 2.738 32.540 29.700 0.171 0.000 1.199 864 E HN 0.678 nan 8.360 nan 0.000 0.422 865 M N 3.130 122.600 119.600 -0.217 0.000 2.184 865 M HA 0.243 4.724 4.480 0.001 0.000 0.351 865 M C -1.336 174.748 176.300 -0.359 0.000 1.395 865 M CA 0.098 55.180 55.300 -0.364 0.000 1.117 865 M CB -0.032 32.238 32.600 -0.549 0.000 1.708 865 M HN 0.603 nan 8.290 nan 0.000 0.468 866 C N 4.250 123.408 119.300 -0.238 0.000 2.802 866 C HA 0.606 5.067 4.460 0.001 0.000 0.307 866 C C -0.165 174.775 174.990 -0.084 0.000 1.222 866 C CA -0.982 57.956 59.018 -0.133 0.000 1.580 866 C CB 2.193 29.922 27.740 -0.018 0.000 2.119 866 C HN 0.907 nan 8.230 nan 0.000 0.479 867 R N 1.019 121.505 120.500 -0.024 0.000 2.255 867 R HA 0.329 4.670 4.340 0.001 0.000 0.326 867 R C -1.505 174.876 176.300 0.136 0.000 0.986 867 R CA -0.346 55.773 56.100 0.031 0.000 0.847 867 R CB 0.541 30.839 30.300 -0.004 0.000 1.111 867 R HN 0.803 nan 8.270 nan 0.000 0.452 868 Y N 3.943 124.282 120.300 0.065 0.000 2.585 868 Y HA 0.125 4.675 4.550 0.001 0.000 0.354 868 Y C -0.777 175.174 175.900 0.085 0.000 1.024 868 Y CA -0.344 57.837 58.100 0.136 0.000 1.321 868 Y CB 0.576 39.197 38.460 0.269 0.000 1.151 868 Y HN 0.589 nan 8.280 nan 0.000 0.525 869 D N 8.403 128.631 120.400 -0.287 0.000 2.607 869 D HA 0.286 4.927 4.640 0.001 0.000 0.318 869 D C -1.964 174.095 176.300 -0.401 0.000 1.212 869 D CA -1.920 51.927 54.000 -0.254 0.000 0.861 869 D CB 0.900 41.644 40.800 -0.094 0.000 1.064 869 D HN 0.299 nan 8.370 nan 0.000 0.500 870 P HA -0.075 nan 4.420 nan 0.000 0.223 870 P C 1.278 178.234 177.300 -0.573 0.000 1.151 870 P CA 0.507 62.999 63.100 -1.013 0.000 0.787 870 P CB 0.475 31.660 31.700 -0.858 0.000 0.788 871 L N -1.873 119.156 121.223 -0.323 0.000 2.554 871 L HA 0.072 4.412 4.340 0.001 0.000 0.226 871 L C 1.644 178.439 176.870 -0.125 0.000 1.137 871 L CA 0.798 55.528 54.840 -0.183 0.000 0.863 871 L CB -1.413 40.570 42.059 -0.126 0.000 0.985 871 L HN -0.022 nan 8.230 nan 0.000 0.451 872 Q N 1.110 120.832 119.800 -0.129 0.000 2.434 872 Q HA -0.259 4.082 4.340 0.001 0.000 0.299 872 Q C 0.432 176.407 176.000 -0.041 0.000 1.286 872 Q CA 1.383 57.150 55.803 -0.060 0.000 0.872 872 Q CB -2.921 25.804 28.738 -0.023 0.000 1.193 872 Q HN 0.808 nan 8.270 nan 0.000 0.466 873 D N -1.914 118.458 120.400 -0.048 0.000 2.582 873 D HA 0.198 4.839 4.640 0.001 0.000 0.246 873 D C 0.255 176.539 176.300 -0.026 0.000 1.334 873 D CA 0.105 54.085 54.000 -0.032 0.000 0.805 873 D CB -0.118 40.662 40.800 -0.034 0.000 1.087 873 D HN 0.485 nan 8.370 nan 0.000 0.499 874 N N 0.189 118.872 118.700 -0.028 0.000 2.708 874 N HA -0.182 4.558 4.740 0.001 0.000 0.251 874 N C 0.748 176.247 175.510 -0.018 0.000 1.123 874 N CA 1.624 54.662 53.050 -0.020 0.000 0.739 874 N CB -2.020 36.459 38.487 -0.013 0.000 1.113 874 N HN 0.641 nan 8.380 nan 0.000 0.561 875 T N -4.060 110.480 114.554 -0.024 0.000 3.054 875 T HA 0.326 4.677 4.350 0.001 0.000 0.255 875 T C 1.112 175.808 174.700 -0.007 0.000 1.035 875 T CA 0.330 62.422 62.100 -0.014 0.000 0.941 875 T CB 0.503 69.361 68.868 -0.016 0.000 1.026 875 T HN 0.341 nan 8.240 nan 0.000 0.533 876 G N 0.859 109.650 108.800 -0.015 0.000 2.667 876 G HA2 0.349 4.309 3.960 0.001 0.000 0.250 876 G HA3 0.349 4.309 3.960 0.001 0.000 0.250 876 G C -0.515 174.419 174.900 0.056 0.000 1.212 876 G CA -0.676 44.431 45.100 0.011 0.000 0.874 876 G HN 0.552 nan 8.290 nan 0.000 0.561 877 E N -0.908 119.361 120.200 0.114 0.000 2.384 877 E HA 0.211 4.561 4.350 0.001 0.000 0.266 877 E C -0.231 176.435 176.600 0.109 0.000 1.012 877 E CA -0.484 55.989 56.400 0.122 0.000 0.901 877 E CB 0.753 30.548 29.700 0.159 0.000 0.967 877 E HN 0.080 nan 8.360 nan 0.000 0.435 878 V N 5.753 125.703 119.914 0.061 0.000 2.488 878 V HA 0.207 4.328 4.120 0.001 0.000 0.277 878 V C 0.212 176.319 176.094 0.023 0.000 1.046 878 V CA -0.166 62.128 62.300 -0.010 0.000 0.986 878 V CB 0.815 32.587 31.823 -0.085 0.000 0.989 878 V HN 0.536 nan 8.190 nan 0.000 0.475 879 V N 2.470 122.365 119.914 -0.032 0.000 3.102 879 V HA 1.006 5.126 4.120 0.001 0.000 0.312 879 V C -0.109 175.953 176.094 -0.054 0.000 1.135 879 V CA -1.105 61.184 62.300 -0.018 0.000 1.022 879 V CB 1.960 33.721 31.823 -0.103 0.000 1.056 879 V HN 0.952 nan 8.190 nan 0.000 0.436 880 A N 1.573 124.399 122.820 0.010 0.000 2.274 880 A HA 0.798 5.118 4.320 0.001 0.000 0.309 880 A C -0.468 177.088 177.584 -0.048 0.000 1.226 880 A CA -0.562 51.488 52.037 0.020 0.000 0.853 880 A CB 0.928 19.999 19.000 0.119 0.000 1.146 880 A HN 1.342 nan 8.150 nan 0.000 0.518 881 V N 3.414 123.307 119.914 -0.035 0.000 2.378 881 V HA 0.345 4.465 4.120 0.001 0.000 0.288 881 V C 0.164 176.276 176.094 0.031 0.000 1.016 881 V CA -0.601 61.678 62.300 -0.035 0.000 0.840 881 V CB 1.286 33.091 31.823 -0.031 0.000 0.994 881 V HN 0.922 nan 8.190 nan 0.000 0.431 882 K N 5.796 126.240 120.400 0.074 0.000 2.211 882 K HA 0.612 4.933 4.320 0.001 0.000 0.275 882 K C -0.321 176.385 176.600 0.177 0.000 1.024 882 K CA -0.621 55.742 56.287 0.128 0.000 0.887 882 K CB 0.926 33.547 32.500 0.202 0.000 1.084 882 K HN 0.832 nan 8.250 nan 0.000 0.463 883 K N 3.550 123.961 120.400 0.018 0.000 2.443 883 K HA 0.395 4.716 4.320 0.001 0.000 0.251 883 K C -0.990 175.444 176.600 -0.277 0.000 0.972 883 K CA -0.996 55.254 56.287 -0.062 0.000 0.833 883 K CB 1.214 33.719 32.500 0.009 0.000 1.317 883 K HN 0.345 nan 8.250 nan 0.000 0.441 884 L N 2.629 123.643 121.223 -0.348 0.000 2.380 884 L HA 0.078 4.418 4.340 0.001 0.000 0.273 884 L C 1.435 178.233 176.870 -0.120 0.000 1.138 884 L CA -0.495 54.172 54.840 -0.288 0.000 0.832 884 L CB 1.061 42.982 42.059 -0.230 0.000 1.124 884 L HN 0.709 nan 8.230 nan 0.000 0.454 885 Q N 1.041 120.801 119.800 -0.066 0.000 2.062 885 Q HA -0.034 4.306 4.340 0.001 0.000 0.196 885 Q C 0.051 175.910 176.000 -0.235 0.000 0.967 885 Q CA 1.430 57.172 55.803 -0.101 0.000 0.832 885 Q CB 0.101 28.828 28.738 -0.018 0.000 0.899 885 Q HN 0.567 nan 8.270 nan 0.000 0.442 886 H N -0.276 118.847 119.070 0.087 0.000 2.725 886 H HA 0.220 4.777 4.556 0.001 0.000 0.283 886 H C -0.538 174.860 175.328 0.117 0.000 1.110 886 H CA -0.294 55.810 56.048 0.093 0.000 1.289 886 H CB 0.744 30.565 29.762 0.099 0.000 1.400 886 H HN -0.020 nan 8.280 nan 0.000 0.493 887 S N 1.804 117.570 115.700 0.110 0.000 4.120 887 S HA 0.089 4.559 4.470 0.001 0.000 0.196 887 S C 0.761 175.403 174.600 0.070 0.000 1.447 887 S CA -0.843 57.414 58.200 0.095 0.000 0.939 887 S CB -0.794 62.442 63.200 0.061 0.000 1.496 887 S HN 0.655 nan 8.310 nan 0.000 0.460 888 T N -0.867 113.709 114.554 0.036 0.000 2.816 888 T HA 0.325 4.676 4.350 0.001 0.000 0.282 888 T C 1.085 175.784 174.700 -0.002 0.000 0.993 888 T CA -0.702 61.377 62.100 -0.034 0.000 0.994 888 T CB 0.631 69.395 68.868 -0.173 0.000 1.025 888 T HN 0.402 nan 8.240 nan 0.000 0.529 889 E N 0.200 120.392 120.200 -0.014 0.000 2.048 889 E HA -0.254 4.097 4.350 0.001 0.000 0.202 889 E C 2.059 178.667 176.600 0.012 0.000 1.021 889 E CA 1.779 58.182 56.400 0.005 0.000 0.825 889 E CB -0.128 29.568 29.700 -0.007 0.000 0.756 889 E HN 0.856 nan 8.360 nan 0.000 0.454 890 E N 0.213 120.401 120.200 -0.020 0.000 2.051 890 E HA -0.211 4.140 4.350 0.001 0.000 0.192 890 E C 1.974 178.611 176.600 0.062 0.000 0.991 890 E CA 1.098 57.497 56.400 -0.003 0.000 0.799 890 E CB -0.071 29.606 29.700 -0.039 0.000 0.748 890 E HN 0.480 nan 8.360 nan 0.000 0.449 891 H N 0.033 119.041 119.070 -0.102 0.000 2.353 891 H HA -0.093 4.463 4.556 0.001 0.000 0.300 891 H C 2.455 177.769 175.328 -0.024 0.000 1.090 891 H CA 0.986 56.949 56.048 -0.140 0.000 1.327 891 H CB 0.126 29.813 29.762 -0.125 0.000 1.383 891 H HN 0.171 nan 8.280 nan 0.000 0.508 892 L N 0.230 121.549 121.223 0.161 0.000 2.083 892 L HA -0.198 4.143 4.340 0.001 0.000 0.209 892 L C 2.751 179.703 176.870 0.136 0.000 1.083 892 L CA 1.065 56.008 54.840 0.172 0.000 0.752 892 L CB -0.250 41.887 42.059 0.130 0.000 0.899 892 L HN 0.178 nan 8.230 nan 0.000 0.433 893 R N 0.001 120.550 120.500 0.081 0.000 2.073 893 R HA -0.171 4.169 4.340 0.001 0.000 0.234 893 R C 1.909 178.231 176.300 0.036 0.000 1.134 893 R CA 1.784 57.912 56.100 0.046 0.000 0.952 893 R CB -0.079 30.236 30.300 0.024 0.000 0.850 893 R HN 0.301 nan 8.270 nan 0.000 0.433 894 D N -0.280 120.135 120.400 0.025 0.000 2.117 894 D HA -0.168 4.473 4.640 0.001 0.000 0.198 894 D C 1.551 177.899 176.300 0.080 0.000 0.982 894 D CA 0.875 54.873 54.000 -0.003 0.000 0.828 894 D CB -0.269 40.464 40.800 -0.112 0.000 0.967 894 D HN 0.149 nan 8.370 nan 0.000 0.464 895 F N 1.859 121.768 119.950 -0.068 0.000 2.134 895 F HA -0.109 4.418 4.527 0.001 0.000 0.299 895 F C 2.259 178.042 175.800 -0.028 0.000 1.097 895 F CA 1.206 59.182 58.000 -0.040 0.000 1.264 895 F CB -0.311 38.677 39.000 -0.020 0.000 1.001 895 F HN -0.060 nan 8.300 nan 0.000 0.479 896 E N -0.302 119.879 120.200 -0.032 0.000 2.110 896 E HA -0.202 4.149 4.350 0.001 0.000 0.193 896 E C 2.379 178.912 176.600 -0.112 0.000 0.988 896 E CA 0.999 57.322 56.400 -0.129 0.000 0.804 896 E CB -0.010 29.666 29.700 -0.039 0.000 0.745 896 E HN 0.378 nan 8.360 nan 0.000 0.458 897 R N 0.283 120.746 120.500 -0.063 0.000 2.075 897 R HA -0.138 4.203 4.340 0.001 0.000 0.232 897 R C 2.429 178.659 176.300 -0.117 0.000 1.126 897 R CA 1.409 57.464 56.100 -0.076 0.000 0.963 897 R CB -0.246 30.023 30.300 -0.051 0.000 0.858 897 R HN 0.270 nan 8.270 nan 0.000 0.435 898 E N 1.257 121.409 120.200 -0.079 0.000 2.058 898 E HA -0.218 4.132 4.350 0.001 0.000 0.194 898 E C 1.913 178.434 176.600 -0.133 0.000 0.997 898 E CA 1.300 57.663 56.400 -0.062 0.000 0.801 898 E CB -0.054 29.709 29.700 0.105 0.000 0.746 898 E HN 0.296 nan 8.360 nan 0.000 0.450 899 I N 1.113 121.558 120.570 -0.207 0.000 2.226 899 I HA -0.244 3.927 4.170 0.001 0.000 0.245 899 I C 2.479 178.462 176.117 -0.223 0.000 1.100 899 I CA 1.001 62.172 61.300 -0.216 0.000 1.374 899 I CB -0.254 37.557 38.000 -0.315 0.000 1.057 899 I HN 0.133 nan 8.210 nan 0.000 0.413 900 E N 0.810 120.885 120.200 -0.208 0.000 2.077 900 E HA -0.179 4.172 4.350 0.001 0.000 0.193 900 E C 2.302 178.769 176.600 -0.221 0.000 0.989 900 E CA 1.244 57.523 56.400 -0.202 0.000 0.800 900 E CB -0.261 29.362 29.700 -0.127 0.000 0.746 900 E HN 0.516 nan 8.360 nan 0.000 0.452 901 I N 0.790 121.194 120.570 -0.276 0.000 2.118 901 I HA -0.309 3.862 4.170 0.001 0.000 0.241 901 I C 2.548 178.426 176.117 -0.399 0.000 1.070 901 I CA 0.932 61.954 61.300 -0.463 0.000 1.327 901 I CB -0.254 37.332 38.000 -0.691 0.000 1.034 901 I HN 0.094 nan 8.210 nan 0.000 0.405 902 L N 0.982 121.990 121.223 -0.357 0.000 2.093 902 L HA -0.211 4.130 4.340 0.001 0.000 0.208 902 L C 2.416 179.148 176.870 -0.230 0.000 1.085 902 L CA 1.853 56.504 54.840 -0.315 0.000 0.755 902 L CB -0.643 41.345 42.059 -0.119 0.000 0.904 902 L HN 0.089 nan 8.230 nan 0.000 0.435 903 K N -0.821 119.348 120.400 -0.386 0.000 2.147 903 K HA -0.149 4.172 4.320 0.001 0.000 0.205 903 K C 1.974 178.408 176.600 -0.277 0.000 1.049 903 K CA 1.405 57.311 56.287 -0.634 0.000 0.936 903 K CB -0.138 31.787 32.500 -0.959 0.000 0.722 903 K HN 0.579 nan 8.250 nan 0.000 0.446 904 S N -0.133 115.471 115.700 -0.161 0.000 2.562 904 S HA 0.085 4.556 4.470 0.001 0.000 0.221 904 S C 0.517 175.157 174.600 0.066 0.000 0.975 904 S CA -0.299 57.884 58.200 -0.028 0.000 0.918 904 S CB -0.147 63.080 63.200 0.046 0.000 0.772 904 S HN 0.143 nan 8.310 nan 0.000 0.531 905 L N 1.879 123.137 121.223 0.057 0.000 2.272 905 L HA 0.551 4.891 4.340 0.001 0.000 0.289 905 L C -0.758 176.215 176.870 0.173 0.000 1.032 905 L CA -0.509 54.463 54.840 0.220 0.000 0.810 905 L CB 1.359 43.490 42.059 0.119 0.000 1.205 905 L HN 0.092 nan 8.230 nan 0.000 0.422 906 Q N 3.459 123.381 119.800 0.204 0.000 2.394 906 Q HA 0.471 4.811 4.340 0.001 0.000 0.261 906 Q C -1.071 174.807 176.000 -0.203 0.000 1.023 906 Q CA -0.265 55.553 55.803 0.025 0.000 0.720 906 Q CB 1.505 30.267 28.738 0.041 0.000 1.241 906 Q HN 0.399 nan 8.270 nan 0.000 0.483 907 H N 1.296 120.175 119.070 -0.319 0.000 3.046 907 H HA 0.155 4.712 4.556 0.001 0.000 0.363 907 H C -0.352 174.861 175.328 -0.193 0.000 1.203 907 H CA -0.400 55.388 56.048 -0.434 0.000 1.169 907 H CB 1.899 31.206 29.762 -0.759 0.000 1.851 907 H HN 0.493 nan 8.280 nan 0.000 0.546 908 D N 2.166 122.261 120.400 -0.508 0.000 2.190 908 D HA -0.147 4.494 4.640 0.001 0.000 0.200 908 D C 0.315 176.616 176.300 0.001 0.000 0.992 908 D CA 1.377 55.238 54.000 -0.232 0.000 0.854 908 D CB 0.167 40.792 40.800 -0.292 0.000 0.936 908 D HN 0.525 nan 8.370 nan 0.000 0.462 909 N N -0.496 118.377 118.700 0.288 0.000 2.321 909 N HA 0.259 5.000 4.740 0.001 0.000 0.242 909 N C -0.374 175.252 175.510 0.193 0.000 1.141 909 N CA -0.058 53.130 53.050 0.230 0.000 0.864 909 N CB 1.073 39.697 38.487 0.230 0.000 1.100 909 N HN 0.073 nan 8.380 nan 0.000 0.510 910 I N 0.498 121.187 120.570 0.200 0.000 2.499 910 I HA 0.196 4.366 4.170 0.001 0.000 0.288 910 I C -0.154 176.071 176.117 0.181 0.000 1.048 910 I CA -1.157 60.283 61.300 0.233 0.000 1.062 910 I CB 2.289 40.433 38.000 0.241 0.000 1.238 910 I HN -0.167 nan 8.210 nan 0.000 0.426 911 V N 6.999 127.044 119.914 0.218 0.000 2.720 911 V HA -0.042 4.079 4.120 0.001 0.000 0.307 911 V C 0.386 176.566 176.094 0.143 0.000 1.071 911 V CA 0.415 62.807 62.300 0.154 0.000 1.199 911 V CB 0.436 32.356 31.823 0.163 0.000 0.900 911 V HN 0.640 nan 8.190 nan 0.000 0.494 912 K N 6.124 126.581 120.400 0.095 0.000 2.339 912 K HA 0.176 4.497 4.320 0.001 0.000 0.286 912 K C -0.499 176.167 176.600 0.110 0.000 1.050 912 K CA -0.199 56.146 56.287 0.097 0.000 0.956 912 K CB 0.649 33.187 32.500 0.063 0.000 0.990 912 K HN 0.710 nan 8.250 nan 0.000 0.475 913 Y N 3.113 123.421 120.300 0.015 0.000 2.610 913 Y HA -0.119 4.432 4.550 0.001 0.000 0.332 913 Y C 0.649 176.556 175.900 0.012 0.000 1.201 913 Y CA 0.961 59.059 58.100 -0.003 0.000 1.465 913 Y CB 0.627 39.077 38.460 -0.017 0.000 1.283 913 Y HN 0.572 nan 8.280 nan 0.000 0.563 914 K N 3.599 123.609 120.400 -0.651 0.000 2.403 914 K HA 0.412 4.733 4.320 0.001 0.000 0.199 914 K C 0.329 176.616 176.600 -0.522 0.000 1.199 914 K CA 0.411 56.447 56.287 -0.419 0.000 0.924 914 K CB 0.916 33.272 32.500 -0.241 0.000 1.137 914 K HN 0.923 nan 8.250 nan 0.000 0.510 915 G N 0.101 108.309 108.800 -0.986 0.000 2.325 915 G HA2 0.330 4.291 3.960 0.001 0.000 0.295 915 G HA3 0.330 4.291 3.960 0.001 0.000 0.295 915 G C -1.881 172.801 174.900 -0.362 0.000 1.274 915 G CA -0.710 44.134 45.100 -0.426 0.000 0.857 915 G HN -0.112 nan 8.290 nan 0.000 0.499 916 V N -0.971 118.906 119.914 -0.062 0.000 3.049 916 V HA 0.627 4.748 4.120 0.001 0.000 0.309 916 V C -0.624 175.387 176.094 -0.138 0.000 1.148 916 V CA -0.745 61.444 62.300 -0.185 0.000 0.990 916 V CB 1.806 33.460 31.823 -0.281 0.000 1.039 916 V HN 1.085 nan 8.190 nan 0.000 0.430 917 C N 3.483 122.657 119.300 -0.210 0.000 2.355 917 C HA 0.769 5.230 4.460 0.001 0.000 0.332 917 C C -0.910 173.947 174.990 -0.221 0.000 1.255 917 C CA -0.505 58.459 59.018 -0.091 0.000 1.792 917 C CB 0.062 27.797 27.740 -0.009 0.000 2.300 917 C HN 0.769 nan 8.230 nan 0.000 0.515 918 Y N 3.087 123.425 120.300 0.064 0.000 2.352 918 Y HA 0.460 5.011 4.550 0.001 0.000 0.339 918 Y C 0.723 176.653 175.900 0.051 0.000 0.992 918 Y CA -0.255 57.877 58.100 0.053 0.000 1.100 918 Y CB 1.585 40.072 38.460 0.044 0.000 1.192 918 Y HN 0.705 nan 8.280 nan 0.000 0.458 919 S N 2.105 117.921 115.700 0.193 0.000 2.585 919 S HA 0.790 5.260 4.470 0.001 0.000 0.277 919 S C -0.063 174.605 174.600 0.114 0.000 1.241 919 S CA -0.847 57.428 58.200 0.126 0.000 1.041 919 S CB 1.156 64.410 63.200 0.090 0.000 0.987 919 S HN 0.855 nan 8.310 nan 0.000 0.512 920 A N 2.645 125.511 122.820 0.078 0.000 2.488 920 A HA 0.626 4.946 4.320 0.001 0.000 0.249 920 A C 1.392 179.002 177.584 0.045 0.000 1.083 920 A CA 0.292 52.361 52.037 0.053 0.000 0.768 920 A CB -1.104 17.918 19.000 0.037 0.000 1.017 920 A HN 2.409 nan 8.150 nan 0.000 0.496 921 G N 2.679 111.501 108.800 0.037 0.000 3.692 921 G HA2 -0.332 3.629 3.960 0.001 0.000 0.265 921 G HA3 -0.332 3.629 3.960 0.001 0.000 0.265 921 G C 1.121 176.043 174.900 0.038 0.000 1.733 921 G CA 0.692 45.811 45.100 0.031 0.000 1.144 921 G HN 1.493 nan 8.290 nan 0.000 0.602 922 R N 1.643 122.169 120.500 0.043 0.000 2.307 922 R HA 0.336 4.676 4.340 0.001 0.000 0.199 922 R C 1.312 177.652 176.300 0.067 0.000 1.000 922 R CA 1.021 57.149 56.100 0.047 0.000 1.023 922 R CB 0.004 30.328 30.300 0.040 0.000 0.908 922 R HN 0.841 nan 8.270 nan 0.000 0.473 923 R N 1.180 121.731 120.500 0.086 0.000 3.184 923 R HA -0.154 4.187 4.340 0.001 0.000 0.257 923 R C -1.359 175.024 176.300 0.138 0.000 0.999 923 R CA 0.457 56.636 56.100 0.132 0.000 0.670 923 R CB -1.875 28.500 30.300 0.126 0.000 1.197 923 R HN 0.663 nan 8.270 nan 0.000 0.419 924 N N 1.037 119.808 118.700 0.119 0.000 2.530 924 N HA 0.280 5.020 4.740 0.001 0.000 0.273 924 N C -0.246 175.329 175.510 0.110 0.000 1.173 924 N CA -0.224 52.894 53.050 0.114 0.000 0.967 924 N CB 0.553 39.091 38.487 0.085 0.000 1.109 924 N HN 0.210 nan 8.380 nan 0.000 0.453 925 L N 2.720 124.026 121.223 0.137 0.000 2.329 925 L HA 0.478 4.818 4.340 0.001 0.000 0.279 925 L C -0.363 176.621 176.870 0.189 0.000 1.014 925 L CA -0.705 54.166 54.840 0.051 0.000 0.814 925 L CB 1.785 43.824 42.059 -0.033 0.000 1.257 925 L HN 0.431 nan 8.230 nan 0.000 0.424 926 K N 2.835 123.251 120.400 0.026 0.000 2.324 926 K HA 0.538 4.858 4.320 0.001 0.000 0.253 926 K C -1.300 175.263 176.600 -0.063 0.000 0.932 926 K CA -0.851 55.489 56.287 0.088 0.000 0.799 926 K CB 2.748 35.266 32.500 0.029 0.000 1.154 926 K HN 0.243 nan 8.250 nan 0.000 0.425 927 L N 4.589 125.828 121.223 0.028 0.000 2.264 927 L HA 0.381 4.722 4.340 0.001 0.000 0.289 927 L C -1.028 175.750 176.870 -0.154 0.000 1.044 927 L CA -0.357 54.427 54.840 -0.093 0.000 0.807 927 L CB 0.542 42.603 42.059 0.003 0.000 1.192 927 L HN 0.465 nan 8.230 nan 0.000 0.425 928 I N 6.351 126.711 120.570 -0.349 0.000 2.331 928 I HA 0.416 4.586 4.170 0.001 0.000 0.292 928 I C 0.070 175.941 176.117 -0.411 0.000 0.998 928 I CA -0.178 60.819 61.300 -0.505 0.000 1.267 928 I CB 0.998 38.353 38.000 -1.074 0.000 1.386 928 I HN 0.740 nan 8.210 nan 0.000 0.476 929 M N 4.285 123.739 119.600 -0.244 0.000 2.658 929 M HA 0.350 4.830 4.480 0.001 0.000 0.295 929 M C -0.109 176.153 176.300 -0.064 0.000 1.248 929 M CA -0.842 54.388 55.300 -0.118 0.000 0.843 929 M CB 2.811 35.407 32.600 -0.006 0.000 1.749 929 M HN 0.558 nan 8.290 nan 0.000 0.464 930 E N 0.717 120.912 120.200 -0.008 0.000 2.415 930 E HA -0.003 4.348 4.350 0.001 0.000 0.262 930 E C -1.498 175.158 176.600 0.093 0.000 1.038 930 E CA -0.169 56.255 56.400 0.039 0.000 0.921 930 E CB 0.589 30.308 29.700 0.032 0.000 0.950 930 E HN 0.521 nan 8.360 nan 0.000 0.438 931 Y N 3.441 123.733 120.300 -0.013 0.000 2.327 931 Y HA 0.301 4.851 4.550 0.001 0.000 0.336 931 Y C -0.972 174.935 175.900 0.012 0.000 1.035 931 Y CA -1.007 57.090 58.100 -0.005 0.000 1.165 931 Y CB 0.701 39.157 38.460 -0.008 0.000 1.181 931 Y HN 0.464 nan 8.280 nan 0.000 0.494 932 L N 9.869 130.756 121.223 -0.559 0.000 2.276 932 L HA 0.338 4.679 4.340 0.001 0.000 0.286 932 L C -1.663 174.759 176.870 -0.746 0.000 1.024 932 L CA -1.750 52.807 54.840 -0.471 0.000 0.826 932 L CB 1.639 43.555 42.059 -0.239 0.000 1.211 932 L HN 0.585 nan 8.230 nan 0.000 0.422 933 P HA -0.084 nan 4.420 nan 0.000 0.236 933 P C 0.839 178.123 177.300 -0.027 0.000 1.177 933 P CA 0.877 63.740 63.100 -0.394 0.000 0.773 933 P CB 0.161 31.851 31.700 -0.017 0.000 0.878 934 Y N 0.115 120.299 120.300 -0.193 0.000 2.490 934 Y HA 0.273 4.824 4.550 0.001 0.000 0.281 934 Y C 1.815 177.684 175.900 -0.051 0.000 1.174 934 Y CA 0.095 58.149 58.100 -0.077 0.000 1.295 934 Y CB -0.208 38.156 38.460 -0.160 0.000 1.062 934 Y HN 0.059 nan 8.280 nan 0.000 0.522 935 G N 0.702 109.511 108.800 0.016 0.000 2.645 935 G HA2 -0.301 3.659 3.960 0.001 0.000 0.239 935 G HA3 -0.301 3.659 3.960 0.001 0.000 0.239 935 G C -0.094 174.805 174.900 -0.001 0.000 1.331 935 G CA -0.320 44.791 45.100 0.019 0.000 0.890 935 G HN 0.499 nan 8.290 nan 0.000 0.572 936 S N -0.602 115.113 115.700 0.024 0.000 2.576 936 S HA 0.442 4.912 4.470 0.001 0.000 0.276 936 S C 1.498 176.118 174.600 0.033 0.000 1.339 936 S CA 0.319 58.524 58.200 0.007 0.000 1.039 936 S CB 1.599 64.809 63.200 0.016 0.000 0.902 936 S HN 1.864 nan 8.310 nan 0.000 0.516 937 L N 2.229 123.443 121.223 -0.015 0.000 2.083 937 L HA -0.005 4.335 4.340 0.001 0.000 0.209 937 L C 2.690 179.625 176.870 0.109 0.000 1.083 937 L CA 1.803 56.649 54.840 0.009 0.000 0.752 937 L CB -1.017 40.996 42.059 -0.077 0.000 0.899 937 L HN 0.962 nan 8.230 nan 0.000 0.433 938 R N -0.584 119.964 120.500 0.080 0.000 2.080 938 R HA -0.185 4.156 4.340 0.001 0.000 0.236 938 R C 1.863 178.223 176.300 0.101 0.000 1.137 938 R CA 2.052 58.209 56.100 0.095 0.000 0.943 938 R CB -0.287 30.059 30.300 0.077 0.000 0.846 938 R HN 0.412 nan 8.270 nan 0.000 0.431 939 D N -0.671 119.785 120.400 0.095 0.000 2.144 939 D HA -0.179 4.462 4.640 0.001 0.000 0.200 939 D C 1.605 177.965 176.300 0.100 0.000 0.978 939 D CA 1.027 55.074 54.000 0.079 0.000 0.833 939 D CB -0.441 40.399 40.800 0.067 0.000 0.961 939 D HN 0.288 nan 8.370 nan 0.000 0.470 940 Y N 0.996 121.318 120.300 0.037 0.000 2.145 940 Y HA -0.192 4.358 4.550 0.001 0.000 0.286 940 Y C 2.125 178.106 175.900 0.136 0.000 1.145 940 Y CA 1.132 59.291 58.100 0.099 0.000 1.148 940 Y CB -0.289 38.251 38.460 0.134 0.000 0.981 940 Y HN -0.095 nan 8.280 nan 0.000 0.507 941 L N 0.613 121.971 121.223 0.225 0.000 2.109 941 L HA -0.161 4.179 4.340 0.001 0.000 0.207 941 L C 2.429 179.360 176.870 0.102 0.000 1.086 941 L CA 1.814 56.763 54.840 0.181 0.000 0.760 941 L CB -1.070 41.113 42.059 0.206 0.000 0.910 941 L HN 0.379 nan 8.230 nan 0.000 0.437 942 Q N -0.903 118.934 119.800 0.062 0.000 2.170 942 Q HA -0.248 4.092 4.340 0.001 0.000 0.203 942 Q C 2.247 178.213 176.000 -0.056 0.000 0.976 942 Q CA 1.660 57.478 55.803 0.025 0.000 0.858 942 Q CB 0.052 28.807 28.738 0.028 0.000 0.907 942 Q HN 0.443 nan 8.270 nan 0.000 0.433 943 K N -0.944 119.363 120.400 -0.155 0.000 2.007 943 K HA -0.131 4.189 4.320 0.001 0.000 0.206 943 K C 1.736 178.104 176.600 -0.386 0.000 1.047 943 K CA 1.237 57.326 56.287 -0.330 0.000 0.937 943 K CB 0.071 32.250 32.500 -0.536 0.000 0.718 943 K HN 0.374 nan 8.250 nan 0.000 0.438 944 H N 0.525 119.489 119.070 -0.175 0.000 2.547 944 H HA 0.120 4.676 4.556 0.001 0.000 0.272 944 H C 0.665 175.922 175.328 -0.118 0.000 0.971 944 H CA 0.535 56.476 56.048 -0.177 0.000 1.245 944 H CB 0.447 30.029 29.762 -0.298 0.000 1.440 944 H HN 0.160 nan 8.280 nan 0.000 0.540 945 K N 0.187 120.602 120.400 0.025 0.000 1.867 945 K HA -0.313 4.008 4.320 0.001 0.000 0.140 945 K C 1.168 177.603 176.600 -0.275 0.000 1.408 945 K CA 1.883 58.134 56.287 -0.060 0.000 0.461 945 K CB -0.758 31.651 32.500 -0.153 0.000 0.594 945 K HN 0.160 nan 8.250 nan 0.000 0.888 946 E N 1.129 120.965 120.200 -0.606 0.000 2.401 946 E HA -0.089 4.262 4.350 0.001 0.000 0.199 946 E C 1.656 178.129 176.600 -0.211 0.000 1.023 946 E CA 1.068 57.078 56.400 -0.650 0.000 0.859 946 E CB -0.081 29.296 29.700 -0.537 0.000 0.780 946 E HN 0.229 nan 8.360 nan 0.000 0.523 947 R N 0.226 120.658 120.500 -0.113 0.000 2.237 947 R HA -0.020 4.321 4.340 0.001 0.000 0.219 947 R C 0.066 176.367 176.300 0.001 0.000 1.080 947 R CA 0.427 56.500 56.100 -0.044 0.000 0.995 947 R CB 0.054 30.339 30.300 -0.025 0.000 0.875 947 R HN 0.104 nan 8.270 nan 0.000 0.462 948 I N 3.225 123.837 120.570 0.070 0.000 2.308 948 I HA 0.023 4.194 4.170 0.001 0.000 0.293 948 I C 0.084 176.304 176.117 0.172 0.000 1.078 948 I CA -1.264 60.124 61.300 0.146 0.000 1.292 948 I CB -0.152 38.011 38.000 0.272 0.000 1.423 948 I HN 0.080 nan 8.210 nan 0.000 0.493 949 D N 4.533 124.983 120.400 0.084 0.000 2.411 949 D HA 0.071 4.711 4.640 0.001 0.000 0.251 949 D C 1.128 177.518 176.300 0.150 0.000 1.201 949 D CA -0.148 53.907 54.000 0.092 0.000 0.996 949 D CB 0.410 41.218 40.800 0.012 0.000 1.101 949 D HN 0.471 nan 8.370 nan 0.000 0.504 950 H N -0.810 118.290 119.070 0.050 0.000 2.387 950 H HA -0.082 4.474 4.556 0.001 0.000 0.299 950 H C 1.911 177.254 175.328 0.025 0.000 1.099 950 H CA 0.783 56.874 56.048 0.072 0.000 1.315 950 H CB 0.065 29.943 29.762 0.194 0.000 1.380 950 H HN 0.311 nan 8.280 nan 0.000 0.513 951 I N 0.699 121.347 120.570 0.130 0.000 2.208 951 I HA -0.254 3.917 4.170 0.001 0.000 0.245 951 I C 2.539 178.612 176.117 -0.074 0.000 1.097 951 I CA 1.125 62.446 61.300 0.035 0.000 1.363 951 I CB -0.061 37.951 38.000 0.020 0.000 1.051 951 I HN 0.101 nan 8.210 nan 0.000 0.413 952 K N 1.295 121.613 120.400 -0.137 0.000 2.057 952 K HA -0.071 4.250 4.320 0.001 0.000 0.206 952 K C 1.947 178.171 176.600 -0.626 0.000 1.050 952 K CA 1.429 57.488 56.287 -0.381 0.000 0.935 952 K CB -0.445 31.890 32.500 -0.274 0.000 0.715 952 K HN 0.202 nan 8.250 nan 0.000 0.439 953 L N 0.270 121.289 121.223 -0.340 0.000 2.079 953 L HA -0.177 4.163 4.340 0.001 0.000 0.210 953 L C 2.181 178.978 176.870 -0.121 0.000 1.081 953 L CA 1.139 55.798 54.840 -0.302 0.000 0.752 953 L CB -0.406 41.291 42.059 -0.603 0.000 0.896 953 L HN 0.169 nan 8.230 nan 0.000 0.433 954 L N -0.983 120.221 121.223 -0.032 0.000 2.240 954 L HA -0.147 4.193 4.340 0.001 0.000 0.211 954 L C 2.599 179.494 176.870 0.042 0.000 1.106 954 L CA 0.696 55.585 54.840 0.081 0.000 0.793 954 L CB -0.435 41.694 42.059 0.116 0.000 0.927 954 L HN 0.356 nan 8.230 nan 0.000 0.446 955 Q N 0.081 119.839 119.800 -0.069 0.000 2.084 955 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 955 Q C 2.199 178.250 176.000 0.085 0.000 0.978 955 Q CA 1.895 57.671 55.803 -0.045 0.000 0.844 955 Q CB -0.147 28.502 28.738 -0.148 0.000 0.898 955 Q HN 0.550 nan 8.270 nan 0.000 0.426 956 Y N -0.427 119.903 120.300 0.051 0.000 2.200 956 Y HA -0.177 4.373 4.550 0.001 0.000 0.290 956 Y C 2.643 178.605 175.900 0.103 0.000 1.137 956 Y CA 0.869 58.999 58.100 0.050 0.000 1.163 956 Y CB -0.183 38.293 38.460 0.026 0.000 0.988 956 Y HN 0.180 nan 8.280 nan 0.000 0.518 957 T N -0.653 114.073 114.554 0.287 0.000 2.684 957 T HA -0.279 4.071 4.350 0.001 0.000 0.267 957 T C 2.087 176.980 174.700 0.323 0.000 1.036 957 T CA 1.686 63.986 62.100 0.334 0.000 1.148 957 T CB -0.568 68.485 68.868 0.308 0.000 0.863 957 T HN 0.327 nan 8.240 nan 0.000 0.436 958 S N 0.699 116.530 115.700 0.219 0.000 2.368 958 S HA -0.190 4.281 4.470 0.001 0.000 0.225 958 S C 2.175 176.856 174.600 0.135 0.000 1.030 958 S CA 1.532 59.825 58.200 0.156 0.000 0.999 958 S CB -0.345 62.923 63.200 0.113 0.000 0.844 958 S HN 0.558 nan 8.310 nan 0.000 0.459 959 Q N 0.136 120.027 119.800 0.153 0.000 2.079 959 Q HA 0.000 4.341 4.340 0.001 0.000 0.200 959 Q C 2.243 178.308 176.000 0.109 0.000 0.974 959 Q CA 1.752 57.636 55.803 0.135 0.000 0.840 959 Q CB -0.300 28.523 28.738 0.142 0.000 0.898 959 Q HN 0.598 nan 8.270 nan 0.000 0.430 960 I N 0.047 120.702 120.570 0.141 0.000 2.163 960 I HA -0.370 3.801 4.170 0.001 0.000 0.243 960 I C 2.639 178.751 176.117 -0.008 0.000 1.085 960 I CA 0.785 62.154 61.300 0.116 0.000 1.347 960 I CB -0.438 37.719 38.000 0.262 0.000 1.044 960 I HN 0.380 nan 8.210 nan 0.000 0.408 961 C N 1.407 120.706 119.300 -0.001 0.000 2.413 961 C HA -0.204 4.256 4.460 0.001 0.000 0.276 961 C C 2.858 177.737 174.990 -0.186 0.000 1.248 961 C CA 1.372 60.269 59.018 -0.201 0.000 1.742 961 C CB -0.910 26.767 27.740 -0.106 0.000 2.017 961 C HN 0.393 nan 8.230 nan 0.000 0.481 962 K N -0.202 120.163 120.400 -0.059 0.000 2.103 962 K HA -0.011 4.310 4.320 0.001 0.000 0.204 962 K C 2.201 178.659 176.600 -0.237 0.000 1.052 962 K CA 1.446 57.712 56.287 -0.034 0.000 0.945 962 K CB -0.517 32.061 32.500 0.129 0.000 0.722 962 K HN 0.618 nan 8.250 nan 0.000 0.443 963 G N 1.082 109.735 108.800 -0.245 0.000 2.422 963 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 963 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 963 G C 1.457 176.204 174.900 -0.256 0.000 1.146 963 G CA 0.573 45.472 45.100 -0.335 0.000 0.769 963 G HN 0.060 nan 8.290 nan 0.000 0.547 964 M N 0.350 119.710 119.600 -0.401 0.000 2.200 964 M HA 0.067 4.547 4.480 0.001 0.000 0.265 964 M C 2.264 178.204 176.300 -0.601 0.000 1.066 964 M CA 0.671 55.568 55.300 -0.670 0.000 1.127 964 M CB -0.817 30.905 32.600 -1.463 0.000 1.379 964 M HN 0.272 nan 8.290 nan 0.000 0.420 965 E N -0.146 119.789 120.200 -0.441 0.000 2.051 965 E HA -0.240 4.110 4.350 0.001 0.000 0.192 965 E C 2.022 178.592 176.600 -0.050 0.000 0.991 965 E CA 1.439 57.773 56.400 -0.110 0.000 0.799 965 E CB -0.348 29.352 29.700 0.000 0.000 0.748 965 E HN 0.538 nan 8.360 nan 0.000 0.449 966 Y N 0.959 121.136 120.300 -0.204 0.000 2.181 966 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 966 Y C 2.293 178.132 175.900 -0.102 0.000 1.146 966 Y CA 1.611 59.616 58.100 -0.159 0.000 1.164 966 Y CB -0.448 37.832 38.460 -0.301 0.000 0.982 966 Y HN 0.098 nan 8.280 nan 0.000 0.515 967 L N 0.534 121.698 121.223 -0.099 0.000 2.042 967 L HA -0.090 4.250 4.340 0.001 0.000 0.210 967 L C 2.480 179.292 176.870 -0.097 0.000 1.076 967 L CA 2.357 57.168 54.840 -0.048 0.000 0.749 967 L CB -1.291 40.849 42.059 0.135 0.000 0.893 967 L HN 0.356 nan 8.230 nan 0.000 0.432 968 G N -2.274 106.487 108.800 -0.065 0.000 2.443 968 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 968 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 968 G C 1.487 176.327 174.900 -0.100 0.000 1.131 968 G CA 1.039 46.127 45.100 -0.019 0.000 0.775 968 G HN 0.524 nan 8.290 nan 0.000 0.547 969 T N -1.190 113.262 114.554 -0.170 0.000 3.007 969 T HA 0.065 4.415 4.350 0.001 0.000 0.270 969 T C 1.851 176.374 174.700 -0.294 0.000 1.107 969 T CA 0.929 62.911 62.100 -0.197 0.000 1.118 969 T CB -0.085 68.670 68.868 -0.188 0.000 0.889 969 T HN 0.263 nan 8.240 nan 0.000 0.506 970 K N 0.735 120.878 120.400 -0.428 0.000 2.387 970 K HA 0.261 4.582 4.320 0.001 0.000 0.198 970 K C 0.251 176.447 176.600 -0.673 0.000 1.022 970 K CA -0.312 55.605 56.287 -0.617 0.000 1.128 970 K CB 0.255 32.232 32.500 -0.871 0.000 0.853 970 K HN 0.319 nan 8.250 nan 0.000 0.523 971 R N 0.250 120.535 120.500 -0.359 0.000 3.525 971 R HA -0.190 4.151 4.340 0.001 0.000 0.276 971 R C -0.922 175.317 176.300 -0.101 0.000 1.116 971 R CA 0.683 56.668 56.100 -0.191 0.000 0.745 971 R CB -2.409 27.801 30.300 -0.150 0.000 1.185 971 R HN 0.305 nan 8.270 nan 0.000 0.454 972 Y N 0.172 120.464 120.300 -0.014 0.000 2.361 972 Y HA 0.464 5.015 4.550 0.001 0.000 0.332 972 Y C 1.026 176.972 175.900 0.078 0.000 1.101 972 Y CA -1.538 56.573 58.100 0.018 0.000 1.137 972 Y CB 1.168 39.630 38.460 0.002 0.000 1.207 972 Y HN -0.078 nan 8.280 nan 0.000 0.463 973 I N 3.137 123.869 120.570 0.270 0.000 2.362 973 I HA 0.063 4.234 4.170 0.001 0.000 0.289 973 I C 0.930 177.181 176.117 0.224 0.000 0.994 973 I CA -0.534 60.910 61.300 0.240 0.000 1.158 973 I CB 1.024 39.145 38.000 0.202 0.000 1.315 973 I HN 0.870 nan 8.210 nan 0.000 0.451 974 H N 7.374 126.558 119.070 0.190 0.000 2.326 974 H HA -0.010 4.547 4.556 0.001 0.000 0.301 974 H C 0.586 175.973 175.328 0.099 0.000 1.081 974 H CA 1.851 57.995 56.048 0.160 0.000 1.334 974 H CB 0.579 30.431 29.762 0.150 0.000 1.385 974 H HN 0.578 nan 8.280 nan 0.000 0.504 975 R N -0.719 119.935 120.500 0.257 0.000 3.977 975 R HA -0.192 4.148 4.340 0.001 0.000 0.428 975 R C -0.318 176.123 176.300 0.234 0.000 1.079 975 R CA 1.245 57.435 56.100 0.151 0.000 1.269 975 R CB -1.412 28.776 30.300 -0.186 0.000 1.856 975 R HN 0.334 nan 8.270 nan 0.000 0.551 976 D N -0.051 120.567 120.400 0.362 0.000 2.822 976 D HA 0.125 4.765 4.640 0.001 0.000 0.327 976 D C -1.083 175.391 176.300 0.290 0.000 1.577 976 D CA -0.404 53.747 54.000 0.252 0.000 0.785 976 D CB 0.394 41.218 40.800 0.041 0.000 1.199 976 D HN 0.021 nan 8.370 nan 0.000 0.443 977 L N 1.806 123.216 121.223 0.312 0.000 2.456 977 L HA 0.639 4.979 4.340 0.001 0.000 0.277 977 L C -0.493 176.449 176.870 0.119 0.000 1.124 977 L CA 0.133 55.031 54.840 0.097 0.000 0.880 977 L CB 0.031 42.190 42.059 0.167 0.000 1.192 977 L HN 0.178 nan 8.230 nan 0.000 0.463 978 A N 2.570 125.387 122.820 -0.005 0.000 2.608 978 A HA 0.479 4.800 4.320 0.001 0.000 0.292 978 A C 0.742 178.342 177.584 0.027 0.000 1.066 978 A CA 0.065 52.080 52.037 -0.036 0.000 0.676 978 A CB 0.724 19.380 19.000 -0.573 0.000 1.277 978 A HN 0.774 nan 8.150 nan 0.000 0.413 979 T N -1.009 113.622 114.554 0.127 0.000 2.929 979 T HA -0.202 4.148 4.350 0.001 0.000 0.271 979 T C 1.488 176.203 174.700 0.025 0.000 1.085 979 T CA 1.693 63.844 62.100 0.085 0.000 1.125 979 T CB -0.531 68.413 68.868 0.126 0.000 0.874 979 T HN 0.867 nan 8.240 nan 0.000 0.494 980 R N 1.229 121.724 120.500 -0.008 0.000 2.237 980 R HA 0.111 4.452 4.340 0.001 0.000 0.219 980 R C 1.318 177.588 176.300 -0.050 0.000 1.080 980 R CA 1.108 57.189 56.100 -0.031 0.000 0.995 980 R CB -0.427 29.837 30.300 -0.060 0.000 0.875 980 R HN 0.277 nan 8.270 nan 0.000 0.462 981 N N 0.456 119.116 118.700 -0.065 0.000 2.235 981 N HA 0.182 4.923 4.740 0.001 0.000 0.209 981 N C -0.627 174.830 175.510 -0.089 0.000 1.122 981 N CA 0.159 53.164 53.050 -0.075 0.000 0.845 981 N CB 0.676 39.125 38.487 -0.063 0.000 1.004 981 N HN 0.168 nan 8.380 nan 0.000 0.499 982 I N 1.470 122.000 120.570 -0.067 0.000 2.474 982 I HA 0.388 4.558 4.170 0.001 0.000 0.294 982 I C -0.089 175.979 176.117 -0.082 0.000 1.005 982 I CA -0.520 60.735 61.300 -0.074 0.000 1.113 982 I CB 2.024 39.990 38.000 -0.056 0.000 1.289 982 I HN -0.266 nan 8.210 nan 0.000 0.436 983 L N 5.349 126.513 121.223 -0.100 0.000 2.342 983 L HA 0.602 4.942 4.340 0.001 0.000 0.271 983 L C -0.523 176.227 176.870 -0.200 0.000 1.008 983 L CA -1.100 53.669 54.840 -0.119 0.000 0.818 983 L CB 2.380 44.386 42.059 -0.088 0.000 1.296 983 L HN 0.176 nan 8.230 nan 0.000 0.427 984 V N 1.305 121.074 119.914 -0.241 0.000 2.350 984 V HA 0.131 4.252 4.120 0.001 0.000 0.276 984 V C 0.814 176.723 176.094 -0.309 0.000 1.028 984 V CA -0.242 61.831 62.300 -0.378 0.000 0.860 984 V CB 1.201 32.663 31.823 -0.600 0.000 0.990 984 V HN 0.897 nan 8.190 nan 0.000 0.453 985 E N 4.479 124.487 120.200 -0.320 0.000 2.051 985 E HA -0.057 4.293 4.350 0.001 0.000 0.189 985 E C 0.600 176.908 176.600 -0.488 0.000 0.979 985 E CA 1.281 57.507 56.400 -0.290 0.000 0.803 985 E CB 0.413 29.993 29.700 -0.199 0.000 0.761 985 E HN 0.965 nan 8.360 nan 0.000 0.451 986 N N -2.113 116.214 118.700 -0.621 0.000 3.243 986 N HA 0.006 4.747 4.740 0.001 0.000 0.280 986 N C -0.043 175.083 175.510 -0.639 0.000 1.545 986 N CA -0.526 51.979 53.050 -0.909 0.000 0.854 986 N CB 0.323 38.528 38.487 -0.470 0.000 1.612 986 N HN -0.149 nan 8.380 nan 0.000 0.577 987 E N -0.874 119.069 120.200 -0.429 0.000 2.219 987 E HA -0.156 4.194 4.350 0.001 0.000 0.198 987 E C 0.170 176.801 176.600 0.052 0.000 0.998 987 E CA 1.599 57.954 56.400 -0.075 0.000 0.818 987 E CB -0.247 29.471 29.700 0.031 0.000 0.741 987 E HN 0.593 nan 8.360 nan 0.000 0.477 988 N N -0.958 117.732 118.700 -0.017 0.000 2.220 988 N HA 0.097 4.838 4.740 0.001 0.000 0.195 988 N C -0.253 175.304 175.510 0.079 0.000 1.123 988 N CA -0.110 52.969 53.050 0.048 0.000 0.874 988 N CB 0.729 39.213 38.487 -0.005 0.000 0.995 988 N HN -0.146 nan 8.380 nan 0.000 0.498 989 R N 1.262 121.761 120.500 -0.002 0.000 2.564 989 R HA 0.377 4.718 4.340 0.001 0.000 0.284 989 R C -1.565 174.645 176.300 -0.151 0.000 1.031 989 R CA -0.590 55.489 56.100 -0.035 0.000 0.904 989 R CB 1.380 31.640 30.300 -0.067 0.000 1.199 989 R HN -0.090 nan 8.270 nan 0.000 0.443 990 V N 0.011 119.852 119.914 -0.122 0.000 2.919 990 V HA 0.727 4.847 4.120 0.001 0.000 0.316 990 V C -0.880 175.167 176.094 -0.078 0.000 1.077 990 V CA -0.909 61.274 62.300 -0.195 0.000 0.977 990 V CB 2.108 33.748 31.823 -0.305 0.000 1.039 990 V HN 0.725 nan 8.190 nan 0.000 0.441 991 K N 2.653 123.009 120.400 -0.074 0.000 2.464 991 K HA 0.609 4.929 4.320 0.001 0.000 0.253 991 K C -1.222 175.374 176.600 -0.006 0.000 0.933 991 K CA -0.804 55.481 56.287 -0.003 0.000 0.801 991 K CB 2.857 35.366 32.500 0.016 0.000 1.271 991 K HN 0.685 nan 8.250 nan 0.000 0.430 992 I N 1.573 122.160 120.570 0.030 0.000 2.668 992 I HA -0.030 4.140 4.170 0.001 0.000 0.285 992 I C 1.267 177.376 176.117 -0.014 0.000 1.168 992 I CA 0.561 61.838 61.300 -0.039 0.000 1.424 992 I CB 0.506 38.479 38.000 -0.045 0.000 1.377 992 I HN 0.958 nan 8.210 nan 0.000 0.560 993 G N 4.142 112.875 108.800 -0.113 0.000 3.062 993 G HA2 0.092 4.052 3.960 0.001 0.000 0.228 993 G HA3 0.092 4.052 3.960 0.001 0.000 0.228 993 G C -0.206 174.667 174.900 -0.045 0.000 1.094 993 G CA 0.082 45.166 45.100 -0.028 0.000 0.782 993 G HN 0.633 nan 8.290 nan 0.000 0.541 994 D N -1.520 118.720 120.400 -0.267 0.000 2.859 994 D HA 0.559 5.199 4.640 0.001 0.000 0.223 994 D C -1.104 174.862 176.300 -0.557 0.000 1.218 994 D CA -0.695 53.187 54.000 -0.196 0.000 0.850 994 D CB 1.575 42.317 40.800 -0.097 0.000 1.656 994 D HN -0.095 nan 8.370 nan 0.000 0.484 995 F N 1.458 121.405 119.950 -0.005 0.000 2.777 995 F HA 0.329 4.856 4.527 0.001 0.000 0.361 995 F C 1.626 177.346 175.800 -0.132 0.000 1.254 995 F CA -0.637 57.277 58.000 -0.144 0.000 1.181 995 F CB 1.309 40.253 39.000 -0.093 0.000 1.082 995 F HN 0.526 nan 8.300 nan 0.000 0.510 996 G N 0.210 109.015 108.800 0.008 0.000 2.471 996 G HA2 -0.105 3.856 3.960 0.001 0.000 0.219 996 G HA3 -0.105 3.856 3.960 0.001 0.000 0.219 996 G C 1.246 176.175 174.900 0.049 0.000 1.125 996 G CA 0.723 45.864 45.100 0.068 0.000 0.775 996 G HN 0.397 nan 8.290 nan 0.000 0.548 997 L N 0.783 121.966 121.223 -0.066 0.000 2.808 997 L HA 0.188 4.528 4.340 0.001 0.000 0.246 997 L C 0.380 177.175 176.870 -0.125 0.000 1.153 997 L CA -0.256 54.542 54.840 -0.071 0.000 0.956 997 L CB 0.283 42.289 42.059 -0.088 0.000 1.270 997 L HN -0.079 nan 8.230 nan 0.000 0.528 998 T N 2.291 116.765 114.554 -0.133 0.000 2.888 998 T HA 0.163 4.513 4.350 0.001 0.000 0.301 998 T C 0.249 174.900 174.700 -0.082 0.000 1.001 998 T CA 0.226 62.266 62.100 -0.100 0.000 1.147 998 T CB 0.669 69.508 68.868 -0.047 0.000 0.931 998 T HN 0.013 nan 8.240 nan 0.000 0.541 999 K N 2.042 122.426 120.400 -0.027 0.000 2.375 999 K HA 0.510 4.830 4.320 0.001 0.000 0.249 999 K C -0.744 175.926 176.600 0.117 0.000 0.942 999 K CA -0.839 55.453 56.287 0.008 0.000 0.806 999 K CB 2.729 35.228 32.500 -0.002 0.000 1.227 999 K HN 0.380 nan 8.250 nan 0.000 0.430 1000 V N 3.919 123.923 119.914 0.150 0.000 2.546 1000 V HA 0.241 4.361 4.120 0.001 0.000 0.284 1000 V C 0.086 176.252 176.094 0.121 0.000 1.050 1000 V CA -0.660 61.784 62.300 0.239 0.000 0.981 1000 V CB 0.595 32.580 31.823 0.269 0.000 0.990 1000 V HN 0.560 nan 8.190 nan 0.000 0.474 1001 L N 8.351 129.633 121.223 0.098 0.000 2.485 1001 L HA 0.256 4.597 4.340 0.001 0.000 0.275 1001 L C -1.864 175.030 176.870 0.040 0.000 1.207 1001 L CA -1.317 53.561 54.840 0.062 0.000 0.855 1001 L CB 0.089 42.175 42.059 0.045 0.000 1.114 1001 L HN 0.542 nan 8.230 nan 0.000 0.485 1002 P HA 0.051 nan 4.420 nan 0.000 0.269 1002 P C 0.518 177.824 177.300 0.011 0.000 1.215 1002 P CA 0.032 63.145 63.100 0.022 0.000 0.780 1002 P CB 0.599 32.312 31.700 0.022 0.000 0.898 1003 Q N 2.303 122.105 119.800 0.004 0.000 2.133 1003 Q HA -0.237 4.104 4.340 0.001 0.000 0.208 1003 Q C 1.164 177.162 176.000 -0.004 0.000 0.991 1003 Q CA 2.380 58.180 55.803 -0.005 0.000 0.867 1003 Q CB -1.415 27.320 28.738 -0.006 0.000 0.911 1003 Q HN 0.768 nan 8.270 nan 0.000 0.417 1004 D N -2.030 118.371 120.400 0.001 0.000 2.440 1004 D HA 0.176 4.817 4.640 0.001 0.000 0.216 1004 D C -0.104 176.198 176.300 0.004 0.000 1.150 1004 D CA -0.066 53.934 54.000 0.001 0.000 0.832 1004 D CB 0.358 41.158 40.800 0.001 0.000 0.992 1004 D HN 0.335 nan 8.370 nan 0.000 0.502 1005 K N 0.544 120.949 120.400 0.009 0.000 2.328 1005 K HA 0.393 4.713 4.320 0.001 0.000 0.246 1005 K C 0.146 176.756 176.600 0.017 0.000 0.955 1005 K CA -0.576 55.719 56.287 0.013 0.000 0.817 1005 K CB 2.588 35.099 32.500 0.018 0.000 1.208 1005 K HN -0.064 nan 8.250 nan 0.000 0.432 1010 V N 6.017 126.049 119.914 0.196 0.000 2.385 1010 V HA 0.206 4.326 4.120 0.001 0.000 0.269 1010 V C 0.905 177.065 176.094 0.110 0.000 1.043 1010 V CA -0.267 62.116 62.300 0.138 0.000 0.906 1010 V CB 1.251 33.168 31.823 0.156 0.000 0.995 1010 V HN 0.803 nan 8.190 nan 0.000 0.467 1011 K N 2.357 122.800 120.400 0.071 0.000 2.137 1011 K HA 0.110 4.431 4.320 0.001 0.000 0.202 1011 K C 0.265 176.898 176.600 0.055 0.000 1.052 1011 K CA 0.730 57.050 56.287 0.055 0.000 0.961 1011 K CB 0.343 32.866 32.500 0.038 0.000 0.741 1011 K HN 0.563 nan 8.250 nan 0.000 0.452 1012 E N 1.643 121.876 120.200 0.055 0.000 2.593 1012 E HA 0.231 4.581 4.350 0.001 0.000 0.232 1012 E C -2.557 174.086 176.600 0.072 0.000 1.026 1012 E CA -1.725 54.708 56.400 0.055 0.000 0.772 1012 E CB 1.299 31.024 29.700 0.041 0.000 1.310 1012 E HN 0.089 nan 8.360 nan 0.000 0.413 1013 P HA 0.127 nan 4.420 nan 0.000 0.268 1013 P C 0.488 177.849 177.300 0.102 0.000 1.204 1013 P CA -0.093 63.074 63.100 0.113 0.000 0.768 1013 P CB 0.975 32.760 31.700 0.141 0.000 0.842 1014 G N 1.085 109.959 108.800 0.123 0.000 2.630 1014 G HA2 0.163 4.123 3.960 0.001 0.000 0.223 1014 G HA3 0.163 4.123 3.960 0.001 0.000 0.223 1014 G C -0.603 174.334 174.900 0.061 0.000 1.434 1014 G CA -0.505 44.675 45.100 0.133 0.000 1.057 1014 G HN 0.595 nan 8.290 nan 0.000 0.570 1015 E N -0.100 120.103 120.200 0.006 0.000 2.415 1015 E HA 0.246 4.597 4.350 0.001 0.000 0.260 1015 E C -0.613 175.939 176.600 -0.079 0.000 1.016 1015 E CA 0.067 56.427 56.400 -0.067 0.000 0.924 1015 E CB 0.125 29.745 29.700 -0.133 0.000 0.961 1015 E HN 0.162 nan 8.360 nan 0.000 0.459 1016 S N 5.799 121.435 115.700 -0.107 0.000 2.473 1016 S HA 0.339 4.809 4.470 0.001 0.000 0.307 1016 S C -2.297 172.096 174.600 -0.345 0.000 1.094 1016 S CA -1.296 56.792 58.200 -0.187 0.000 1.070 1016 S CB 1.709 64.796 63.200 -0.188 0.000 1.019 1016 S HN 0.503 nan 8.310 nan 0.000 0.480 1017 P HA 0.207 nan 4.420 nan 0.000 0.225 1017 P C 0.916 178.005 177.300 -0.352 0.000 1.813 1017 P CA -0.342 62.623 63.100 -0.224 0.000 1.013 1017 P CB -0.769 30.862 31.700 -0.116 0.000 1.961 1018 I N -3.682 116.514 120.570 -0.622 0.000 2.423 1018 I HA -0.198 3.972 4.170 0.001 0.000 0.254 1018 I C 1.218 177.095 176.117 -0.400 0.000 1.151 1018 I CA 1.321 62.174 61.300 -0.746 0.000 1.421 1018 I CB -0.996 36.568 38.000 -0.726 0.000 1.079 1018 I HN -0.120 nan 8.210 nan 0.000 0.431 1019 F N -0.320 119.707 119.950 0.128 0.000 2.802 1019 F HA 0.066 4.593 4.527 0.000 0.000 0.300 1019 F C 1.810 177.703 175.800 0.155 0.000 1.168 1019 F CA 0.190 58.247 58.000 0.095 0.000 1.433 1019 F CB -0.132 38.976 39.000 0.179 0.000 1.115 1019 F HN 0.192 nan 8.300 nan 0.000 0.582 1020 W N -1.737 119.748 121.300 0.309 0.000 3.127 1020 W HA 0.129 4.789 4.660 0.001 0.000 0.344 1020 W C -0.187 176.677 176.519 0.575 0.000 1.151 1020 W CA -0.277 57.344 57.345 0.460 0.000 1.765 1020 W CB 0.162 29.866 29.460 0.408 0.000 1.085 1020 W HN -0.201 nan 8.180 nan 0.000 0.596 1021 Y N 1.480 121.951 120.300 0.286 0.000 2.319 1021 Y HA 0.372 4.923 4.550 0.001 0.000 0.328 1021 Y C 0.916 176.474 175.900 -0.569 0.000 1.133 1021 Y CA -1.432 56.661 58.100 -0.012 0.000 1.265 1021 Y CB 0.202 38.612 38.460 -0.082 0.000 1.218 1021 Y HN -0.212 nan 8.280 nan 0.000 0.508 1022 A N 6.607 128.930 122.820 -0.828 0.000 2.466 1022 A HA 0.192 4.512 4.320 0.001 0.000 0.238 1022 A C -1.482 175.542 177.584 -0.933 0.000 1.074 1022 A CA -0.993 50.136 52.037 -1.512 0.000 0.774 1022 A CB -0.183 18.357 19.000 -0.768 0.000 1.015 1022 A HN 0.613 nan 8.150 nan 0.000 0.498 1023 P HA -0.221 nan 4.420 nan 0.000 0.216 1023 P C 1.365 178.441 177.300 -0.374 0.000 1.153 1023 P CA 1.733 64.530 63.100 -0.504 0.000 0.858 1023 P CB 0.073 31.544 31.700 -0.382 0.000 0.789 1024 E N -0.399 119.575 120.200 -0.376 0.000 2.204 1024 E HA -0.097 4.253 4.350 0.001 0.000 0.194 1024 E C 1.578 177.929 176.600 -0.416 0.000 0.989 1024 E CA 1.347 57.557 56.400 -0.317 0.000 0.824 1024 E CB -1.132 28.415 29.700 -0.256 0.000 0.756 1024 E HN 0.170 nan 8.360 nan 0.000 0.477 1025 S N 1.176 116.518 115.700 -0.597 0.000 2.387 1025 S HA 0.033 4.503 4.470 0.001 0.000 0.226 1025 S C 2.142 176.507 174.600 -0.392 0.000 1.026 1025 S CA 0.775 58.444 58.200 -0.886 0.000 0.972 1025 S CB -0.218 62.149 63.200 -1.389 0.000 0.814 1025 S HN 0.195 nan 8.310 nan 0.000 0.477 1026 L N 1.339 122.435 121.223 -0.211 0.000 2.056 1026 L HA -0.102 4.239 4.340 0.001 0.000 0.207 1026 L C 2.928 179.747 176.870 -0.086 0.000 1.078 1026 L CA 1.610 56.414 54.840 -0.060 0.000 0.749 1026 L CB -1.034 40.959 42.059 -0.110 0.000 0.901 1026 L HN 0.471 nan 8.230 nan 0.000 0.433 1027 T N -4.164 110.306 114.554 -0.140 0.000 3.009 1027 T HA -0.022 4.328 4.350 0.001 0.000 0.258 1027 T C 1.407 176.056 174.700 -0.086 0.000 1.063 1027 T CA 0.637 62.674 62.100 -0.105 0.000 1.139 1027 T CB 0.063 68.859 68.868 -0.119 0.000 0.890 1027 T HN 0.315 nan 8.240 nan 0.000 0.471 1028 E N 0.365 120.491 120.200 -0.123 0.000 2.641 1028 E HA 0.306 4.656 4.350 0.001 0.000 0.224 1028 E C -0.068 176.475 176.600 -0.095 0.000 0.951 1028 E CA -0.186 56.155 56.400 -0.098 0.000 1.102 1028 E CB 0.738 30.372 29.700 -0.111 0.000 1.091 1028 E HN 0.252 nan 8.360 nan 0.000 0.507 1029 S N 1.366 116.988 115.700 -0.130 0.000 3.581 1029 S HA -0.199 4.271 4.470 0.001 0.000 0.354 1029 S C -0.162 174.340 174.600 -0.163 0.000 1.059 1029 S CA 0.995 59.154 58.200 -0.068 0.000 1.060 1029 S CB -1.122 62.168 63.200 0.150 0.000 0.908 1029 S HN 0.249 nan 8.310 nan 0.000 0.475 1030 K N 0.380 120.519 120.400 -0.435 0.000 2.211 1030 K HA 0.567 4.887 4.320 0.001 0.000 0.275 1030 K C -0.582 175.634 176.600 -0.639 0.000 1.024 1030 K CA -0.058 56.035 56.287 -0.324 0.000 0.887 1030 K CB 0.657 33.029 32.500 -0.213 0.000 1.084 1030 K HN 0.141 nan 8.250 nan 0.000 0.463 1031 F N 0.997 120.902 119.950 -0.074 0.000 2.529 1031 F HA 0.335 4.863 4.527 0.002 0.000 0.320 1031 F C 0.383 176.181 175.800 -0.004 0.000 1.118 1031 F CA -0.545 57.417 58.000 -0.063 0.000 0.915 1031 F CB 2.050 41.013 39.000 -0.063 0.000 1.161 1031 F HN 0.520 nan 8.300 nan 0.000 0.445 1032 S N 0.384 116.180 115.700 0.159 0.000 2.671 1032 S HA 0.486 4.956 4.470 0.001 0.000 0.277 1032 S C 0.124 174.826 174.600 0.170 0.000 1.165 1032 S CA -0.817 57.460 58.200 0.129 0.000 0.822 1032 S CB 1.328 64.564 63.200 0.060 0.000 1.150 1032 S HN 0.234 nan 8.310 nan 0.000 0.479 1033 V N 1.188 121.196 119.914 0.158 0.000 2.380 1033 V HA -0.171 3.950 4.120 0.001 0.000 0.251 1033 V C 2.906 179.100 176.094 0.167 0.000 1.063 1033 V CA 2.646 65.070 62.300 0.207 0.000 1.055 1033 V CB -1.551 30.375 31.823 0.171 0.000 0.657 1033 V HN 0.992 nan 8.190 nan 0.000 0.455 1034 A N 0.383 123.261 122.820 0.098 0.000 2.014 1034 A HA -0.145 4.176 4.320 0.001 0.000 0.218 1034 A C 2.479 180.149 177.584 0.144 0.000 1.163 1034 A CA 1.821 53.901 52.037 0.072 0.000 0.652 1034 A CB -0.508 18.519 19.000 0.045 0.000 0.808 1034 A HN 0.689 nan 8.150 nan 0.000 0.449 1035 S N -0.201 115.582 115.700 0.138 0.000 2.436 1035 S HA -0.114 4.356 4.470 0.001 0.000 0.228 1035 S C 1.335 176.135 174.600 0.333 0.000 1.014 1035 S CA 1.123 59.421 58.200 0.164 0.000 0.950 1035 S CB -0.338 62.843 63.200 -0.032 0.000 0.784 1035 S HN 0.433 nan 8.310 nan 0.000 0.504 1036 D N 1.775 122.389 120.400 0.356 0.000 2.117 1036 D HA -0.019 4.622 4.640 0.001 0.000 0.197 1036 D C 2.049 178.676 176.300 0.546 0.000 0.987 1036 D CA 0.833 55.124 54.000 0.485 0.000 0.829 1036 D CB -0.481 40.640 40.800 0.535 0.000 0.961 1036 D HN 0.297 nan 8.370 nan 0.000 0.460 1037 V N 0.845 120.926 119.914 0.278 0.000 2.343 1037 V HA -0.205 3.915 4.120 0.001 0.000 0.247 1037 V C 2.169 178.456 176.094 0.321 0.000 1.051 1037 V CA 1.317 63.632 62.300 0.025 0.000 1.036 1037 V CB -0.474 31.159 31.823 -0.316 0.000 0.654 1037 V HN 0.409 nan 8.190 nan 0.000 0.451 1038 W N 1.185 122.612 121.300 0.213 0.000 2.317 1038 W HA -0.238 4.422 4.660 -0.000 0.000 0.318 1038 W C 2.514 179.311 176.519 0.463 0.000 1.227 1038 W CA 2.325 59.869 57.345 0.332 0.000 1.269 1038 W CB -0.675 28.951 29.460 0.277 0.000 1.155 1038 W HN 0.328 nan 8.180 nan 0.000 0.484 1039 S N 0.634 116.825 115.700 0.819 0.000 2.382 1039 S HA -0.226 4.245 4.470 0.001 0.000 0.228 1039 S C 1.539 176.521 174.600 0.635 0.000 1.027 1039 S CA 1.535 60.205 58.200 0.782 0.000 0.991 1039 S CB -1.024 62.612 63.200 0.727 0.000 0.823 1039 S HN 0.354 nan 8.310 nan 0.000 0.469 1040 F N 2.744 122.956 119.950 0.437 0.000 2.134 1040 F HA -0.030 4.497 4.527 0.000 0.000 0.299 1040 F C 2.232 178.171 175.800 0.231 0.000 1.097 1040 F CA 1.238 59.448 58.000 0.351 0.000 1.264 1040 F CB -0.994 38.257 39.000 0.419 0.000 1.001 1040 F HN 0.204 nan 8.300 nan 0.000 0.479 1041 G N 0.265 109.070 108.800 0.008 0.000 2.469 1041 G HA2 -0.256 3.704 3.960 0.001 0.000 0.219 1041 G HA3 -0.256 3.704 3.960 0.001 0.000 0.219 1041 G C 1.683 176.642 174.900 0.099 0.000 1.150 1041 G CA 1.493 46.393 45.100 -0.333 0.000 0.763 1041 G HN 0.369 nan 8.290 nan 0.000 0.561 1042 V N 0.532 120.722 119.914 0.460 0.000 2.343 1042 V HA -0.165 3.956 4.120 0.001 0.000 0.247 1042 V C 2.991 179.272 176.094 0.312 0.000 1.051 1042 V CA 1.409 63.923 62.300 0.358 0.000 1.036 1042 V CB -0.637 31.211 31.823 0.042 0.000 0.654 1042 V HN 0.243 nan 8.190 nan 0.000 0.451 1043 V N -0.146 119.952 119.914 0.306 0.000 2.287 1043 V HA -0.264 3.857 4.120 0.001 0.000 0.248 1043 V C 2.436 178.575 176.094 0.075 0.000 1.053 1043 V CA 2.135 64.581 62.300 0.243 0.000 1.027 1043 V CB -0.653 31.281 31.823 0.186 0.000 0.646 1043 V HN 0.488 nan 8.190 nan 0.000 0.447 1044 L N -0.523 120.618 121.223 -0.137 0.000 2.042 1044 L HA -0.213 4.127 4.340 0.001 0.000 0.210 1044 L C 2.289 179.237 176.870 0.130 0.000 1.076 1044 L CA 2.192 56.973 54.840 -0.098 0.000 0.749 1044 L CB -1.047 40.806 42.059 -0.344 0.000 0.893 1044 L HN 0.506 nan 8.230 nan 0.000 0.432 1045 Y N 0.572 120.912 120.300 0.067 0.000 2.128 1045 Y HA -0.276 4.274 4.550 0.001 0.000 0.284 1045 Y C 2.389 178.348 175.900 0.098 0.000 1.154 1045 Y CA 2.248 60.431 58.100 0.137 0.000 1.149 1045 Y CB -0.181 38.417 38.460 0.230 0.000 0.976 1045 Y HN 0.386 nan 8.280 nan 0.000 0.505 1046 E N 0.281 120.578 120.200 0.161 0.000 2.058 1046 E HA -0.250 4.100 4.350 0.001 0.000 0.194 1046 E C 2.260 178.817 176.600 -0.071 0.000 0.997 1046 E CA 1.731 58.178 56.400 0.078 0.000 0.801 1046 E CB -0.423 29.426 29.700 0.247 0.000 0.746 1046 E HN 0.510 nan 8.360 nan 0.000 0.450 1047 L N -0.206 120.979 121.223 -0.064 0.000 2.013 1047 L HA -0.200 4.141 4.340 0.001 0.000 0.212 1047 L C 2.247 178.747 176.870 -0.616 0.000 1.073 1047 L CA 1.289 55.976 54.840 -0.254 0.000 0.753 1047 L CB -0.369 41.574 42.059 -0.192 0.000 0.890 1047 L HN 0.108 nan 8.230 nan 0.000 0.432 1048 F N -0.486 119.215 119.950 -0.416 0.000 2.780 1048 F HA -0.060 4.468 4.527 0.002 0.000 0.299 1048 F C 2.380 177.936 175.800 -0.407 0.000 1.146 1048 F CA 1.003 58.712 58.000 -0.485 0.000 1.428 1048 F CB -0.361 38.447 39.000 -0.321 0.000 1.115 1048 F HN 0.136 nan 8.300 nan 0.000 0.583 1049 T N -4.928 109.445 114.554 -0.303 0.000 3.086 1049 T HA -0.022 4.328 4.350 0.001 0.000 0.250 1049 T C 0.336 175.058 174.700 0.037 0.000 1.074 1049 T CA 0.005 61.997 62.100 -0.179 0.000 0.988 1049 T CB -0.798 67.839 68.868 -0.385 0.000 0.988 1049 T HN 0.280 nan 8.240 nan 0.000 0.530 1050 Y N 2.042 122.295 120.300 -0.079 0.000 3.589 1050 Y HA -0.198 4.353 4.550 0.001 0.000 0.218 1050 Y C 0.586 176.477 175.900 -0.015 0.000 1.234 1050 Y CA 0.161 58.237 58.100 -0.040 0.000 1.576 1050 Y CB -2.487 35.953 38.460 -0.032 0.000 1.487 1050 Y HN 0.269 nan 8.280 nan 0.000 0.616 1051 I N -1.594 119.019 120.570 0.072 0.000 6.133 1051 I HA -0.319 3.852 4.170 0.001 0.000 0.126 1051 I C 0.920 177.083 176.117 0.078 0.000 1.819 1051 I CA 1.176 62.526 61.300 0.085 0.000 2.061 1051 I CB -1.709 36.351 38.000 0.100 0.000 3.437 1051 I HN 0.644 nan 8.210 nan 0.000 0.177 1052 E N 1.809 122.047 120.200 0.063 0.000 2.351 1052 E HA 0.227 4.578 4.350 0.001 0.000 0.266 1052 E C 1.556 178.182 176.600 0.043 0.000 1.031 1052 E CA 0.769 57.198 56.400 0.048 0.000 0.911 1052 E CB 0.904 30.627 29.700 0.038 0.000 0.986 1052 E HN 0.457 nan 8.360 nan 0.000 0.446 1053 K N 2.536 122.960 120.400 0.040 0.000 2.074 1053 K HA -0.209 4.111 4.320 0.001 0.000 0.209 1053 K C 1.938 178.554 176.600 0.028 0.000 1.048 1053 K CA 2.265 58.577 56.287 0.041 0.000 0.926 1053 K CB -1.161 31.359 32.500 0.033 0.000 0.713 1053 K HN 0.679 nan 8.250 nan 0.000 0.444 1054 S N 0.226 115.935 115.700 0.016 0.000 2.474 1054 S HA -0.050 4.421 4.470 0.001 0.000 0.235 1054 S C 1.534 176.135 174.600 0.002 0.000 0.997 1054 S CA 0.981 59.182 58.200 0.003 0.000 0.949 1054 S CB 0.160 63.359 63.200 -0.001 0.000 0.766 1054 S HN 0.513 nan 8.310 nan 0.000 0.517 1055 K N 2.159 122.572 120.400 0.021 0.000 2.358 1055 K HA 0.244 4.564 4.320 0.001 0.000 0.200 1055 K C 0.712 177.380 176.600 0.113 0.000 1.030 1055 K CA 0.252 56.569 56.287 0.050 0.000 1.097 1055 K CB 0.291 32.802 32.500 0.018 0.000 0.862 1055 K HN 0.593 nan 8.250 nan 0.000 0.534 1056 S N 1.670 117.413 115.700 0.072 0.000 2.563 1056 S HA 0.067 4.538 4.470 0.001 0.000 0.284 1056 S C -1.768 172.821 174.600 -0.018 0.000 1.331 1056 S CA -0.748 57.511 58.200 0.098 0.000 1.047 1056 S CB 0.913 64.173 63.200 0.101 0.000 0.859 1056 S HN -0.148 nan 8.310 nan 0.000 0.514 1057 P HA -0.052 nan 4.420 nan 0.000 0.216 1057 P C -1.521 175.537 177.300 -0.403 0.000 1.153 1057 P CA 1.411 64.258 63.100 -0.421 0.000 0.858 1057 P CB -1.237 30.030 31.700 -0.722 0.000 0.789 1058 P HA -0.151 nan 4.420 nan 0.000 0.215 1058 P C 1.529 178.500 177.300 -0.548 0.000 1.153 1058 P CA 2.044 64.684 63.100 -0.766 0.000 0.853 1058 P CB -0.668 30.934 31.700 -0.164 0.000 0.788 1059 A N -0.079 122.587 122.820 -0.257 0.000 1.902 1059 A HA -0.215 4.106 4.320 0.001 0.000 0.217 1059 A C 2.231 179.695 177.584 -0.201 0.000 1.181 1059 A CA 1.575 53.510 52.037 -0.171 0.000 0.623 1059 A CB -1.091 17.859 19.000 -0.083 0.000 0.818 1059 A HN 0.076 nan 8.150 nan 0.000 0.443 1060 E N -0.739 119.299 120.200 -0.270 0.000 2.046 1060 E HA -0.095 4.256 4.350 0.001 0.000 0.190 1060 E C 1.811 178.213 176.600 -0.329 0.000 0.982 1060 E CA 0.866 57.078 56.400 -0.314 0.000 0.800 1060 E CB -0.429 29.022 29.700 -0.415 0.000 0.756 1060 E HN 0.751 nan 8.360 nan 0.000 0.449 1061 F N 0.442 120.192 119.950 -0.333 0.000 2.171 1061 F HA -0.186 4.341 4.527 0.000 0.000 0.300 1061 F C 2.502 178.201 175.800 -0.168 0.000 1.090 1061 F CA 0.562 58.414 58.000 -0.245 0.000 1.293 1061 F CB -0.097 38.770 39.000 -0.221 0.000 1.013 1061 F HN 0.011 nan 8.300 nan 0.000 0.486 1062 M N -0.206 119.341 119.600 -0.088 0.000 2.159 1062 M HA -0.185 4.295 4.480 0.001 0.000 0.263 1062 M C 2.199 178.491 176.300 -0.012 0.000 1.063 1062 M CA 1.429 56.715 55.300 -0.024 0.000 1.110 1062 M CB -1.266 31.294 32.600 -0.067 0.000 1.374 1062 M HN 0.120 nan 8.290 nan 0.000 0.411 1063 R N 0.028 120.499 120.500 -0.049 0.000 2.081 1063 R HA -0.114 4.226 4.340 0.001 0.000 0.235 1063 R C 2.104 178.395 176.300 -0.016 0.000 1.131 1063 R CA 1.489 57.566 56.100 -0.039 0.000 0.960 1063 R CB -0.080 30.183 30.300 -0.062 0.000 0.856 1063 R HN 0.308 nan 8.270 nan 0.000 0.436 1064 M N 0.392 119.989 119.600 -0.005 0.000 2.254 1064 M HA -0.078 4.402 4.480 0.001 0.000 0.265 1064 M C 2.188 178.523 176.300 0.059 0.000 1.066 1064 M CA 1.355 56.671 55.300 0.027 0.000 1.123 1064 M CB -0.018 32.608 32.600 0.042 0.000 1.388 1064 M HN 0.315 nan 8.290 nan 0.000 0.425 1065 I N -2.675 117.943 120.570 0.080 0.000 3.226 1065 I HA 0.368 4.539 4.170 0.001 0.000 0.277 1065 I C 0.632 176.743 176.117 -0.009 0.000 1.243 1065 I CA 0.258 61.601 61.300 0.072 0.000 1.459 1065 I CB -0.235 37.847 38.000 0.137 0.000 1.093 1065 I HN 0.232 nan 8.210 nan 0.000 0.453 1066 G N 2.047 110.845 108.800 -0.004 0.000 3.233 1066 G HA2 -0.202 3.759 3.960 0.001 0.000 0.686 1066 G HA3 -0.202 3.759 3.960 0.001 0.000 0.686 1066 G C -0.393 174.497 174.900 -0.017 0.000 1.153 1066 G CA -0.141 44.944 45.100 -0.026 0.000 0.853 1066 G HN 0.402 nan 8.290 nan 0.000 0.582 1067 N N 0.486 119.180 118.700 -0.010 0.000 2.519 1067 N HA -0.057 4.684 4.740 0.001 0.000 0.186 1067 N C 1.911 177.422 175.510 0.002 0.000 1.062 1067 N CA 1.118 54.168 53.050 0.000 0.000 0.910 1067 N CB 0.119 38.605 38.487 -0.003 0.000 0.958 1067 N HN 0.742 nan 8.380 nan 0.000 0.445 1068 D N 0.047 120.439 120.400 -0.014 0.000 2.347 1068 D HA -0.081 4.560 4.640 0.001 0.000 0.215 1068 D C 0.024 176.314 176.300 -0.017 0.000 0.976 1068 D CA 0.594 54.584 54.000 -0.015 0.000 0.884 1068 D CB 0.108 40.892 40.800 -0.025 0.000 0.915 1068 D HN -0.039 nan 8.370 nan 0.000 0.526 1069 K N 1.300 121.686 120.400 -0.024 0.000 2.350 1069 K HA 0.267 4.588 4.320 0.001 0.000 0.279 1069 K C 0.300 176.927 176.600 0.046 0.000 1.027 1069 K CA 0.068 56.349 56.287 -0.009 0.000 0.969 1069 K CB 1.130 33.615 32.500 -0.024 0.000 0.954 1069 K HN 0.300 nan 8.250 nan 0.000 0.474 1070 Q N -0.014 119.819 119.800 0.054 0.000 2.389 1070 Q HA 0.486 4.827 4.340 0.001 0.000 0.277 1070 Q C 0.390 176.426 176.000 0.060 0.000 1.082 1070 Q CA -0.581 55.255 55.803 0.056 0.000 0.810 1070 Q CB 2.205 30.965 28.738 0.036 0.000 1.374 1070 Q HN 0.756 nan 8.270 nan 0.000 0.422 1071 G N 1.697 110.529 108.800 0.053 0.000 2.627 1071 G HA2 -0.465 3.495 3.960 0.001 0.000 0.312 1071 G HA3 -0.465 3.495 3.960 0.001 0.000 0.312 1071 G C 0.822 175.749 174.900 0.045 0.000 1.299 1071 G CA 1.078 46.202 45.100 0.039 0.000 0.989 1071 G HN 0.878 nan 8.290 nan 0.000 0.547 1072 Q N -1.113 118.710 119.800 0.038 0.000 2.197 1072 Q HA -0.120 4.221 4.340 0.001 0.000 0.207 1072 Q C 2.533 178.590 176.000 0.095 0.000 0.984 1072 Q CA 2.474 58.305 55.803 0.046 0.000 0.869 1072 Q CB -0.243 28.513 28.738 0.030 0.000 0.906 1072 Q HN 0.537 nan 8.270 nan 0.000 0.426 1073 M N 0.614 120.282 119.600 0.115 0.000 2.279 1073 M HA -0.049 4.431 4.480 0.001 0.000 0.264 1073 M C 2.137 178.635 176.300 0.329 0.000 1.062 1073 M CA 1.042 56.478 55.300 0.226 0.000 1.099 1073 M CB -0.716 31.997 32.600 0.187 0.000 1.394 1073 M HN 0.299 nan 8.290 nan 0.000 0.426 1074 I N -0.438 120.249 120.570 0.195 0.000 2.151 1074 I HA -0.301 3.870 4.170 0.001 0.000 0.243 1074 I C 2.331 178.527 176.117 0.132 0.000 1.080 1074 I CA 1.173 62.579 61.300 0.177 0.000 1.339 1074 I CB -0.541 37.539 38.000 0.132 0.000 1.039 1074 I HN 0.034 nan 8.210 nan 0.000 0.409 1075 V N 0.698 120.650 119.914 0.064 0.000 2.295 1075 V HA -0.321 3.799 4.120 0.001 0.000 0.246 1075 V C 2.273 178.389 176.094 0.038 0.000 1.049 1075 V CA 2.110 64.409 62.300 -0.002 0.000 1.024 1075 V CB -0.875 30.939 31.823 -0.014 0.000 0.648 1075 V HN 0.390 nan 8.190 nan 0.000 0.447 1076 F N 1.110 121.043 119.950 -0.029 0.000 2.069 1076 F HA -0.260 4.268 4.527 0.001 0.000 0.298 1076 F C 2.382 178.098 175.800 -0.140 0.000 1.113 1076 F CA 2.441 60.383 58.000 -0.095 0.000 1.214 1076 F CB -0.460 38.465 39.000 -0.126 0.000 0.978 1076 F HN 0.237 nan 8.300 nan 0.000 0.474 1077 H N -0.784 118.327 119.070 0.069 0.000 2.428 1077 H HA -0.075 4.482 4.556 0.001 0.000 0.296 1077 H C 1.912 177.184 175.328 -0.093 0.000 1.062 1077 H CA 1.464 57.495 56.048 -0.028 0.000 1.350 1077 H CB -0.347 29.498 29.762 0.138 0.000 1.403 1077 H HN 0.307 nan 8.280 nan 0.000 0.533 1078 L N 0.506 121.747 121.223 0.030 0.000 2.017 1078 L HA -0.131 4.210 4.340 0.001 0.000 0.208 1078 L C 1.918 178.694 176.870 -0.157 0.000 1.073 1078 L CA 1.459 56.257 54.840 -0.070 0.000 0.745 1078 L CB -0.604 41.377 42.059 -0.130 0.000 0.894 1078 L HN 0.285 nan 8.230 nan 0.000 0.432 1079 I N -0.555 119.892 120.570 -0.205 0.000 2.163 1079 I HA -0.281 3.890 4.170 0.001 0.000 0.243 1079 I C 2.416 178.389 176.117 -0.240 0.000 1.085 1079 I CA 1.242 62.402 61.300 -0.233 0.000 1.347 1079 I CB -0.415 37.435 38.000 -0.250 0.000 1.044 1079 I HN 0.299 nan 8.210 nan 0.000 0.408 1080 E N 0.347 120.345 120.200 -0.336 0.000 2.106 1080 E HA -0.207 4.143 4.350 0.001 0.000 0.192 1080 E C 2.075 178.598 176.600 -0.129 0.000 0.984 1080 E CA 1.026 57.253 56.400 -0.289 0.000 0.806 1080 E CB -0.432 29.005 29.700 -0.437 0.000 0.750 1080 E HN 0.351 nan 8.360 nan 0.000 0.458 1081 L N 0.724 121.902 121.223 -0.075 0.000 1.994 1081 L HA -0.145 4.195 4.340 0.001 0.000 0.208 1081 L C 2.284 179.167 176.870 0.020 0.000 1.071 1081 L CA 1.463 56.308 54.840 0.008 0.000 0.745 1081 L CB -0.525 41.575 42.059 0.068 0.000 0.892 1081 L HN 0.061 nan 8.230 nan 0.000 0.431 1082 L N -0.413 120.809 121.223 -0.002 0.000 2.046 1082 L HA -0.249 4.091 4.340 0.001 0.000 0.208 1082 L C 2.656 179.549 176.870 0.039 0.000 1.077 1082 L CA 1.701 56.570 54.840 0.049 0.000 0.747 1082 L CB -0.773 41.289 42.059 0.005 0.000 0.896 1082 L HN 0.347 nan 8.230 nan 0.000 0.432 1083 K N 0.360 120.744 120.400 -0.026 0.000 2.160 1083 K HA -0.181 4.139 4.320 0.001 0.000 0.206 1083 K C 1.216 177.815 176.600 -0.001 0.000 1.047 1083 K CA 1.377 57.647 56.287 -0.028 0.000 0.930 1083 K CB 0.018 32.474 32.500 -0.073 0.000 0.720 1083 K HN 0.349 nan 8.250 nan 0.000 0.450 1084 N N 1.310 120.012 118.700 0.003 0.000 2.295 1084 N HA 0.013 4.753 4.740 0.001 0.000 0.221 1084 N C -0.652 174.880 175.510 0.037 0.000 1.129 1084 N CA 0.092 53.152 53.050 0.016 0.000 0.836 1084 N CB 0.427 38.918 38.487 0.007 0.000 1.040 1084 N HN 0.215 nan 8.380 nan 0.000 0.494 1085 N N 0.222 118.956 118.700 0.058 0.000 2.741 1085 N HA -0.126 4.615 4.740 0.001 0.000 0.250 1085 N C 0.318 175.872 175.510 0.074 0.000 1.115 1085 N CA 0.807 53.903 53.050 0.077 0.000 0.724 1085 N CB -1.353 37.173 38.487 0.065 0.000 1.090 1085 N HN 0.330 nan 8.380 nan 0.000 0.558 1086 G N 0.389 109.234 108.800 0.075 0.000 2.365 1086 G HA2 0.345 4.306 3.960 0.001 0.000 0.249 1086 G HA3 0.345 4.306 3.960 0.001 0.000 0.249 1086 G C 0.388 175.343 174.900 0.093 0.000 1.288 1086 G CA 0.023 45.169 45.100 0.078 0.000 0.887 1086 G HN 0.126 nan 8.290 nan 0.000 0.524 1087 R N 1.378 121.883 120.500 0.008 0.000 2.774 1087 R HA 0.294 4.635 4.340 0.001 0.000 0.272 1087 R C -0.206 175.894 176.300 -0.334 0.000 1.000 1087 R CA -1.068 54.950 56.100 -0.136 0.000 0.906 1087 R CB 1.373 31.636 30.300 -0.061 0.000 1.227 1087 R HN 0.465 nan 8.270 nan 0.000 0.468 1088 L N 3.718 124.493 121.223 -0.746 0.000 2.543 1088 L HA 0.069 4.409 4.340 0.001 0.000 0.285 1088 L C -1.467 175.261 176.870 -0.237 0.000 1.236 1088 L CA -0.771 53.589 54.840 -0.800 0.000 0.871 1088 L CB -0.083 41.133 42.059 -1.405 0.000 1.121 1088 L HN 0.268 nan 8.230 nan 0.000 0.501 1089 P HA 0.082 nan 4.420 nan 0.000 0.276 1089 P C -0.824 176.565 177.300 0.148 0.000 1.252 1089 P CA -0.774 62.356 63.100 0.051 0.000 0.802 1089 P CB 0.592 32.290 31.700 -0.004 0.000 1.035 1090 R N 1.904 122.310 120.500 -0.156 0.000 2.458 1090 R HA 0.123 4.464 4.340 0.001 0.000 0.303 1090 R C -1.950 174.257 176.300 -0.155 0.000 1.013 1090 R CA -1.053 54.748 56.100 -0.499 0.000 1.026 1090 R CB -0.744 28.872 30.300 -1.140 0.000 0.948 1090 R HN 0.342 nan 8.270 nan 0.000 0.417 1091 P HA 0.012 nan 4.420 nan 0.000 0.266 1091 P C -0.868 176.401 177.300 -0.052 0.000 1.195 1091 P CA 0.489 63.550 63.100 -0.066 0.000 0.768 1091 P CB 0.401 32.037 31.700 -0.106 0.000 0.838 1092 D N 1.268 121.661 120.400 -0.012 0.000 2.450 1092 D HA 0.368 5.009 4.640 0.001 0.000 0.247 1092 D C 1.386 177.728 176.300 0.070 0.000 1.162 1092 D CA 0.285 54.291 54.000 0.010 0.000 0.879 1092 D CB -0.597 40.213 40.800 0.018 0.000 1.163 1092 D HN 0.802 nan 8.370 nan 0.000 0.472 1093 G N 0.362 109.198 108.800 0.061 0.000 2.176 1093 G HA2 -0.207 3.754 3.960 0.001 0.000 0.253 1093 G HA3 -0.207 3.754 3.960 0.001 0.000 0.253 1093 G C 0.884 175.897 174.900 0.189 0.000 0.979 1093 G CA 0.455 45.638 45.100 0.138 0.000 0.641 1093 G HN 1.532 nan 8.290 nan 0.000 0.530 1094 C N 2.766 122.097 119.300 0.051 0.000 2.629 1094 C HA 0.584 5.044 4.460 0.001 0.000 0.410 1094 C C -1.080 173.835 174.990 -0.125 0.000 1.339 1094 C CA -1.614 57.343 59.018 -0.102 0.000 1.810 1094 C CB -0.086 27.527 27.740 -0.212 0.000 2.549 1094 C HN 0.404 nan 8.230 nan 0.000 0.589 1095 P HA 0.075 nan 4.420 nan 0.000 0.266 1095 P C 0.655 177.891 177.300 -0.107 0.000 1.195 1095 P CA 0.363 63.407 63.100 -0.094 0.000 0.768 1095 P CB 0.479 32.115 31.700 -0.107 0.000 0.838 1096 D N 1.968 122.348 120.400 -0.034 0.000 2.144 1096 D HA -0.178 4.463 4.640 0.001 0.000 0.199 1096 D C 1.316 177.610 176.300 -0.010 0.000 0.984 1096 D CA 1.292 55.300 54.000 0.014 0.000 0.834 1096 D CB 0.245 41.058 40.800 0.022 0.000 0.955 1096 D HN 0.512 nan 8.370 nan 0.000 0.465 1097 E N -0.261 119.909 120.200 -0.050 0.000 2.153 1097 E HA -0.142 4.209 4.350 0.001 0.000 0.194 1097 E C 2.113 178.641 176.600 -0.122 0.000 0.988 1097 E CA 0.361 56.719 56.400 -0.071 0.000 0.811 1097 E CB 0.238 29.907 29.700 -0.052 0.000 0.746 1097 E HN 0.301 nan 8.360 nan 0.000 0.466 1098 I N -0.027 120.431 120.570 -0.187 0.000 2.333 1098 I HA -0.223 3.947 4.170 0.001 0.000 0.246 1098 I C 2.183 178.142 176.117 -0.263 0.000 1.106 1098 I CA 1.143 62.261 61.300 -0.303 0.000 1.411 1098 I CB -1.194 36.422 38.000 -0.640 0.000 1.082 1098 I HN 0.193 nan 8.210 nan 0.000 0.420 1099 Y N 1.461 121.567 120.300 -0.323 0.000 2.224 1099 Y HA -0.248 4.302 4.550 0.001 0.000 0.289 1099 Y C 2.781 178.537 175.900 -0.240 0.000 1.146 1099 Y CA 1.569 59.515 58.100 -0.257 0.000 1.182 1099 Y CB -0.002 38.358 38.460 -0.168 0.000 0.983 1099 Y HN -0.005 nan 8.280 nan 0.000 0.524 1100 M N -0.235 119.197 119.600 -0.279 0.000 2.149 1100 M HA -0.256 4.225 4.480 0.001 0.000 0.261 1100 M C 2.053 178.148 176.300 -0.343 0.000 1.064 1100 M CA 1.748 56.855 55.300 -0.323 0.000 1.102 1100 M CB -0.407 32.090 32.600 -0.171 0.000 1.369 1100 M HN 0.346 nan 8.290 nan 0.000 0.408 1101 I N 0.078 120.474 120.570 -0.289 0.000 2.163 1101 I HA -0.344 3.826 4.170 0.001 0.000 0.243 1101 I C 2.502 178.349 176.117 -0.450 0.000 1.085 1101 I CA 1.492 62.630 61.300 -0.269 0.000 1.347 1101 I CB -0.326 37.581 38.000 -0.155 0.000 1.044 1101 I HN 0.343 nan 8.210 nan 0.000 0.408 1102 M N 0.165 119.386 119.600 -0.632 0.000 2.080 1102 M HA -0.217 4.263 4.480 0.001 0.000 0.260 1102 M C 2.502 177.921 176.300 -1.469 0.000 1.068 1102 M CA 2.601 57.196 55.300 -1.175 0.000 1.109 1102 M CB -0.908 30.978 32.600 -1.190 0.000 1.342 1102 M HN 0.436 nan 8.290 nan 0.000 0.405 1103 T N -1.945 112.031 114.554 -0.963 0.000 2.867 1103 T HA -0.110 4.240 4.350 0.001 0.000 0.268 1103 T C 1.489 175.956 174.700 -0.388 0.000 1.057 1103 T CA 1.451 63.202 62.100 -0.583 0.000 1.136 1103 T CB -0.434 68.118 68.868 -0.528 0.000 0.874 1103 T HN 0.452 nan 8.240 nan 0.000 0.466 1104 E N 0.180 120.150 120.200 -0.383 0.000 2.106 1104 E HA -0.029 4.322 4.350 0.001 0.000 0.192 1104 E C 2.411 178.875 176.600 -0.226 0.000 0.984 1104 E CA 1.167 57.424 56.400 -0.239 0.000 0.806 1104 E CB -0.362 29.222 29.700 -0.194 0.000 0.750 1104 E HN 0.565 nan 8.360 nan 0.000 0.458 1105 C N 0.360 119.435 119.300 -0.374 0.000 2.422 1105 C HA -0.110 4.350 4.460 0.001 0.000 0.279 1105 C C 1.162 176.013 174.990 -0.231 0.000 1.305 1105 C CA 0.046 58.881 59.018 -0.304 0.000 1.757 1105 C CB -0.819 26.678 27.740 -0.404 0.000 1.962 1105 C HN 0.531 nan 8.230 nan 0.000 0.499 1106 W N 2.105 123.133 121.300 -0.454 0.000 3.066 1106 W HA 0.303 4.963 4.660 -0.000 0.000 0.442 1106 W C 0.472 176.862 176.519 -0.214 0.000 0.820 1106 W CA -0.847 55.977 57.345 -0.869 0.000 2.047 1106 W CB -1.666 27.184 29.460 -1.018 0.000 0.980 1106 W HN 0.335 nan 8.180 nan 0.000 0.825 1107 N N 1.430 120.261 118.700 0.218 0.000 2.488 1107 N HA -0.007 4.734 4.740 0.001 0.000 0.274 1107 N C 1.079 176.811 175.510 0.370 0.000 1.111 1107 N CA 0.232 53.421 53.050 0.231 0.000 0.974 1107 N CB 0.752 39.308 38.487 0.115 0.000 1.089 1107 N HN -0.005 nan 8.380 nan 0.000 0.465 1108 N N 1.631 120.499 118.700 0.280 0.000 2.223 1108 N HA -0.152 4.589 4.740 0.001 0.000 0.185 1108 N C 0.132 175.702 175.510 0.100 0.000 1.016 1108 N CA 0.738 53.900 53.050 0.186 0.000 0.863 1108 N CB -0.273 38.281 38.487 0.112 0.000 0.983 1108 N HN 0.569 nan 8.380 nan 0.000 0.429 1109 N N 1.533 120.286 118.700 0.088 0.000 2.399 1109 N HA -0.004 4.736 4.740 0.001 0.000 0.259 1109 N C 1.134 176.679 175.510 0.058 0.000 1.160 1109 N CA 0.014 53.094 53.050 0.051 0.000 0.946 1109 N CB 0.857 39.366 38.487 0.036 0.000 1.156 1109 N HN -0.197 nan 8.380 nan 0.000 0.489 1110 V N 3.955 123.890 119.914 0.036 0.000 2.282 1110 V HA -0.274 3.846 4.120 0.001 0.000 0.249 1110 V C 1.791 177.902 176.094 0.028 0.000 1.057 1110 V CA 1.552 63.874 62.300 0.035 0.000 1.032 1110 V CB -0.454 31.369 31.823 0.000 0.000 0.645 1110 V HN 0.652 nan 8.190 nan 0.000 0.447 1111 N N -0.278 118.430 118.700 0.014 0.000 2.453 1111 N HA -0.125 4.615 4.740 0.001 0.000 0.183 1111 N C 1.811 177.322 175.510 0.002 0.000 1.041 1111 N CA 0.863 53.916 53.050 0.005 0.000 0.900 1111 N CB -0.213 38.275 38.487 0.001 0.000 0.961 1111 N HN 0.608 nan 8.380 nan 0.000 0.443 1112 Q N -0.060 119.747 119.800 0.010 0.000 2.424 1112 Q HA 0.116 4.457 4.340 0.001 0.000 0.204 1112 Q C 0.083 176.079 176.000 -0.007 0.000 0.933 1112 Q CA 0.070 55.875 55.803 0.002 0.000 0.929 1112 Q CB 0.422 29.165 28.738 0.010 0.000 1.037 1112 Q HN 0.296 nan 8.270 nan 0.000 0.511 1113 R N 2.251 122.753 120.500 0.004 0.000 2.623 1113 R HA 0.073 4.414 4.340 0.001 0.000 0.271 1113 R C -2.120 174.141 176.300 -0.065 0.000 1.043 1113 R CA -1.098 54.992 56.100 -0.018 0.000 1.083 1113 R CB -0.194 30.120 30.300 0.023 0.000 0.974 1113 R HN 0.048 nan 8.270 nan 0.000 0.436 1114 P HA -0.021 nan 4.420 nan 0.000 0.271 1114 P C -0.609 176.581 177.300 -0.182 0.000 1.233 1114 P CA -0.277 62.752 63.100 -0.119 0.000 0.789 1114 P CB 0.702 32.330 31.700 -0.121 0.000 0.951 1115 S N -0.115 115.497 115.700 -0.147 0.000 2.646 1115 S HA 0.278 4.748 4.470 0.001 0.000 0.276 1115 S C 0.966 175.453 174.600 -0.188 0.000 1.222 1115 S CA -0.456 57.649 58.200 -0.157 0.000 1.014 1115 S CB 0.197 63.366 63.200 -0.052 0.000 0.991 1115 S HN 0.193 nan 8.310 nan 0.000 0.533 1116 F N 0.885 120.788 119.950 -0.078 0.000 2.171 1116 F HA 0.039 4.567 4.527 0.002 0.000 0.300 1116 F C 2.709 178.452 175.800 -0.096 0.000 1.090 1116 F CA 1.383 59.300 58.000 -0.138 0.000 1.293 1116 F CB -0.508 38.411 39.000 -0.135 0.000 1.013 1116 F HN 0.688 nan 8.300 nan 0.000 0.486 1117 R N 0.518 121.090 120.500 0.119 0.000 2.083 1117 R HA -0.181 4.159 4.340 0.001 0.000 0.237 1117 R C 1.779 178.099 176.300 0.035 0.000 1.137 1117 R CA 2.175 58.315 56.100 0.067 0.000 0.951 1117 R CB -0.391 29.939 30.300 0.050 0.000 0.851 1117 R HN 0.138 nan 8.270 nan 0.000 0.434 1118 D N 0.447 120.852 120.400 0.008 0.000 2.123 1118 D HA -0.115 4.526 4.640 0.001 0.000 0.200 1118 D C 2.040 178.336 176.300 -0.008 0.000 0.976 1118 D CA 0.948 54.944 54.000 -0.006 0.000 0.831 1118 D CB -0.171 40.614 40.800 -0.024 0.000 0.974 1118 D HN 0.262 nan 8.370 nan 0.000 0.469 1119 L N 0.712 121.921 121.223 -0.025 0.000 2.079 1119 L HA -0.180 4.160 4.340 0.001 0.000 0.210 1119 L C 2.477 179.364 176.870 0.028 0.000 1.081 1119 L CA 1.227 56.060 54.840 -0.012 0.000 0.752 1119 L CB -0.401 41.610 42.059 -0.080 0.000 0.896 1119 L HN -0.010 nan 8.230 nan 0.000 0.433 1120 A N -0.147 122.693 122.820 0.033 0.000 1.930 1120 A HA -0.135 4.185 4.320 0.001 0.000 0.217 1120 A C 2.248 179.859 177.584 0.046 0.000 1.175 1120 A CA 1.240 53.306 52.037 0.049 0.000 0.627 1120 A CB -0.579 18.451 19.000 0.051 0.000 0.815 1120 A HN 0.328 nan 8.150 nan 0.000 0.443 1121 L N -0.953 120.291 121.223 0.034 0.000 2.017 1121 L HA -0.198 4.142 4.340 0.001 0.000 0.208 1121 L C 2.887 179.772 176.870 0.025 0.000 1.073 1121 L CA 1.604 56.460 54.840 0.027 0.000 0.745 1121 L CB -0.381 41.690 42.059 0.019 0.000 0.894 1121 L HN 0.336 nan 8.230 nan 0.000 0.432 1122 R N -0.955 119.558 120.500 0.021 0.000 2.081 1122 R HA -0.124 4.216 4.340 0.001 0.000 0.235 1122 R C 2.210 178.527 176.300 0.030 0.000 1.131 1122 R CA 1.291 57.401 56.100 0.017 0.000 0.960 1122 R CB -0.540 29.763 30.300 0.005 0.000 0.856 1122 R HN 0.164 nan 8.270 nan 0.000 0.436 1123 V N 1.518 121.464 119.914 0.052 0.000 2.343 1123 V HA -0.235 3.885 4.120 0.001 0.000 0.247 1123 V C 1.519 177.648 176.094 0.059 0.000 1.051 1123 V CA 1.928 64.271 62.300 0.072 0.000 1.036 1123 V CB -0.429 31.467 31.823 0.122 0.000 0.654 1123 V HN 0.251 nan 8.190 nan 0.000 0.451 1124 D N -0.612 119.819 120.400 0.052 0.000 2.117 1124 D HA -0.184 4.457 4.640 0.001 0.000 0.197 1124 D C 2.185 178.504 176.300 0.032 0.000 0.987 1124 D CA 1.314 55.340 54.000 0.043 0.000 0.829 1124 D CB -0.215 40.609 40.800 0.039 0.000 0.961 1124 D HN 0.416 nan 8.370 nan 0.000 0.460 1125 Q N 0.529 120.346 119.800 0.027 0.000 2.050 1125 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 1125 Q C 2.111 178.124 176.000 0.022 0.000 0.980 1125 Q CA 1.177 56.993 55.803 0.020 0.000 0.840 1125 Q CB -0.421 28.326 28.738 0.014 0.000 0.898 1125 Q HN 0.341 nan 8.270 nan 0.000 0.424 1126 I N -0.116 120.469 120.570 0.024 0.000 2.208 1126 I HA -0.330 3.840 4.170 0.001 0.000 0.245 1126 I C 2.378 178.516 176.117 0.036 0.000 1.097 1126 I CA 1.513 62.829 61.300 0.026 0.000 1.363 1126 I CB -0.307 37.707 38.000 0.022 0.000 1.051 1126 I HN 0.177 nan 8.210 nan 0.000 0.413 1127 R N 0.346 120.871 120.500 0.041 0.000 2.091 1127 R HA -0.212 4.128 4.340 0.001 0.000 0.238 1127 R C 2.050 178.369 176.300 0.031 0.000 1.136 1127 R CA 1.781 57.905 56.100 0.041 0.000 0.959 1127 R CB -0.456 29.867 30.300 0.038 0.000 0.856 1127 R HN 0.327 nan 8.270 nan 0.000 0.437 1128 D N 0.401 120.817 120.400 0.026 0.000 2.117 1128 D HA -0.117 4.524 4.640 0.001 0.000 0.197 1128 D C 1.428 177.739 176.300 0.019 0.000 0.987 1128 D CA 1.092 55.104 54.000 0.020 0.000 0.829 1128 D CB -0.176 40.635 40.800 0.018 0.000 0.961 1128 D HN 0.078 nan 8.370 nan 0.000 0.460 1129 N N -0.159 118.554 118.700 0.020 0.000 2.120 1129 N HA -0.115 4.626 4.740 0.001 0.000 0.188 1129 N C 1.922 177.446 175.510 0.023 0.000 1.024 1129 N CA 0.807 53.868 53.050 0.019 0.000 0.852 1129 N CB -0.344 38.154 38.487 0.018 0.000 1.003 1129 N HN 0.360 nan 8.380 nan 0.000 0.424 1130 M N 0.015 119.634 119.600 0.031 0.000 2.296 1130 M HA 0.031 4.512 4.480 0.001 0.000 0.265 1130 M C 0.885 177.201 176.300 0.027 0.000 1.064 1130 M CA 0.495 55.817 55.300 0.037 0.000 1.109 1130 M CB 0.060 32.693 32.600 0.056 0.000 1.396 1130 M HN 0.059 nan 8.290 nan 0.000 0.430 1131 A N 0.000 122.833 122.820 0.022 0.000 2.254 1131 A HA 0.000 4.321 4.320 0.001 0.000 0.244 1131 A CA 0.000 52.046 52.037 0.016 0.000 0.836 1131 A CB 0.000 19.008 19.000 0.014 0.000 0.831 1131 A HN 0.000 nan 8.150 nan 0.000 0.486