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 3fzj_1_E DATA FIRST_RESID 1 DATA SEQUENCE MLKLQTLQAL ICIEEVGSLR AAAQLLHLSQ PALSAAIQQL EDELKAPLLV DATA SEQUENCE RTKRGVSLTS FGQAFMKHAR LIVTESRRAQ EEIGQLRGRW EGHITFAASP DATA SEQUENCE AIALAALPLA LASFAREFPD VTVNVRDGMY PAVSPQLRDG TLDFALTAAH DATA SEQUENCE KHDIDTDLEA QPLYVSDVVI VGQRQHPMAN ATRLAELQEC RWAFSSAPRG DATA SEQUENCE PGAIIRNAFA RYGLPEPKLG LVCESFLALP GVVAHSDLLT TMPRTLYERN DATA SEQUENCE AFKDQLCSIP LQDALPNPTI YVLRRHDLPV TPAAAGLIRW IQHHAL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 L N 2.214 123.451 121.223 0.023 0.000 2.540 2 L HA 0.013 4.353 4.340 -0.000 0.000 0.276 2 L C 0.913 177.803 176.870 0.034 0.000 1.212 2 L CA 0.119 54.975 54.840 0.026 0.000 0.893 2 L CB 0.180 42.254 42.059 0.026 0.000 1.138 2 L HN 0.757 nan 8.230 nan 0.000 0.491 3 K N 2.270 122.693 120.400 0.038 0.000 2.103 3 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 3 K C 1.748 178.385 176.600 0.060 0.000 1.048 3 K CA 1.148 57.467 56.287 0.055 0.000 0.930 3 K CB -0.093 32.443 32.500 0.061 0.000 0.716 3 K HN 0.438 nan 8.250 nan 0.000 0.444 4 L N 1.576 122.827 121.223 0.047 0.000 2.083 4 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 4 L C 2.230 179.126 176.870 0.043 0.000 1.083 4 L CA 1.633 56.499 54.840 0.043 0.000 0.752 4 L CB -0.269 41.810 42.059 0.032 0.000 0.899 4 L HN 0.189 nan 8.230 nan 0.000 0.433 5 Q N -1.538 118.286 119.800 0.040 0.000 2.084 5 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 5 Q C 1.952 177.978 176.000 0.043 0.000 0.978 5 Q CA 2.235 58.061 55.803 0.038 0.000 0.844 5 Q CB -0.080 28.679 28.738 0.034 0.000 0.898 5 Q HN 0.526 nan 8.270 nan 0.000 0.426 6 T N 1.198 115.782 114.554 0.050 0.000 2.746 6 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 6 T C 1.817 176.567 174.700 0.083 0.000 1.039 6 T CA 0.843 62.978 62.100 0.058 0.000 1.142 6 T CB -0.144 68.757 68.868 0.056 0.000 0.866 6 T HN 0.195 nan 8.240 nan 0.000 0.444 7 L N 0.645 121.927 121.223 0.098 0.000 2.027 7 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 7 L C 2.899 179.815 176.870 0.077 0.000 1.074 7 L CA 1.428 56.338 54.840 0.117 0.000 0.745 7 L CB -0.672 41.444 42.059 0.096 0.000 0.898 7 L HN 0.304 nan 8.230 nan 0.000 0.433 8 Q N -0.118 119.714 119.800 0.053 0.000 2.135 8 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 8 Q C 2.423 178.444 176.000 0.036 0.000 0.981 8 Q CA 1.702 57.527 55.803 0.037 0.000 0.856 8 Q CB -0.271 28.485 28.738 0.030 0.000 0.902 8 Q HN 0.557 nan 8.270 nan 0.000 0.425 9 A N 0.681 123.524 122.820 0.039 0.000 1.902 9 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 9 A C 2.047 179.655 177.584 0.041 0.000 1.181 9 A CA 1.037 53.093 52.037 0.032 0.000 0.623 9 A CB -0.634 18.384 19.000 0.030 0.000 0.818 9 A HN 0.296 nan 8.150 nan 0.000 0.443 10 L N -0.502 120.759 121.223 0.063 0.000 2.046 10 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 10 L C 2.477 179.387 176.870 0.068 0.000 1.077 10 L CA 1.270 56.158 54.840 0.080 0.000 0.747 10 L CB -0.472 41.669 42.059 0.138 0.000 0.896 10 L HN 0.398 nan 8.230 nan 0.000 0.432 11 I N -1.065 119.540 120.570 0.059 0.000 2.208 11 I HA -0.406 3.764 4.170 -0.000 0.000 0.245 11 I C 2.804 178.938 176.117 0.027 0.000 1.097 11 I CA 1.314 62.638 61.300 0.039 0.000 1.363 11 I CB -0.466 37.550 38.000 0.028 0.000 1.051 11 I HN 0.447 nan 8.210 nan 0.000 0.413 12 C N 1.123 120.437 119.300 0.023 0.000 2.440 12 C HA -0.107 4.353 4.460 -0.000 0.000 0.278 12 C C 2.744 177.742 174.990 0.012 0.000 1.295 12 C CA 0.577 59.602 59.018 0.011 0.000 1.738 12 C CB -0.894 26.848 27.740 0.004 0.000 1.987 12 C HN 0.392 nan 8.230 nan 0.000 0.492 13 I N 0.688 121.271 120.570 0.020 0.000 2.226 13 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 13 I C 2.630 178.760 176.117 0.021 0.000 1.100 13 I CA 2.128 63.441 61.300 0.020 0.000 1.374 13 I CB -0.722 37.294 38.000 0.027 0.000 1.057 13 I HN 0.500 nan 8.210 nan 0.000 0.413 14 E N 1.126 121.343 120.200 0.028 0.000 2.118 14 E HA -0.309 4.041 4.350 -0.000 0.000 0.195 14 E C 2.078 178.687 176.600 0.016 0.000 0.992 14 E CA 1.614 58.029 56.400 0.025 0.000 0.804 14 E CB 0.002 29.721 29.700 0.031 0.000 0.741 14 E HN 0.546 nan 8.360 nan 0.000 0.458 15 E N -0.001 120.206 120.200 0.012 0.000 2.051 15 E HA -0.127 4.223 4.350 -0.000 0.000 0.189 15 E C 2.058 178.660 176.600 0.004 0.000 0.979 15 E CA 1.450 57.854 56.400 0.007 0.000 0.803 15 E CB 0.262 29.965 29.700 0.004 0.000 0.761 15 E HN 0.288 nan 8.360 nan 0.000 0.451 16 V N -3.153 116.763 119.914 0.004 0.000 3.590 16 V HA 0.429 4.549 4.120 -0.000 0.000 0.265 16 V C 1.306 177.402 176.094 0.003 0.000 1.239 16 V CA 0.619 62.920 62.300 0.001 0.000 1.117 16 V CB 0.195 32.015 31.823 -0.004 0.000 0.818 16 V HN 0.367 nan 8.190 nan 0.000 0.451 17 G N 0.253 109.057 108.800 0.006 0.000 2.147 17 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 17 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 17 G C 0.165 175.069 174.900 0.007 0.000 1.005 17 G CA 0.619 45.723 45.100 0.007 0.000 0.713 17 G HN 1.589 nan 8.290 nan 0.000 0.515 18 S N -1.426 114.278 115.700 0.006 0.000 2.592 18 S HA 0.532 5.002 4.470 -0.000 0.000 0.275 18 S C 0.816 175.419 174.600 0.005 0.000 1.169 18 S CA 0.210 58.413 58.200 0.005 0.000 0.958 18 S CB 1.373 64.574 63.200 0.001 0.000 1.095 18 S HN 1.012 nan 8.310 nan 0.000 0.471 19 L N 5.328 126.555 121.223 0.006 0.000 2.056 19 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 19 L C 2.517 179.389 176.870 0.003 0.000 1.078 19 L CA 1.309 56.152 54.840 0.006 0.000 0.749 19 L CB -0.206 41.858 42.059 0.007 0.000 0.901 19 L HN 0.773 nan 8.230 nan 0.000 0.433 20 R N -0.239 120.262 120.500 0.002 0.000 2.081 20 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 20 R C 2.322 178.619 176.300 -0.005 0.000 1.131 20 R CA 1.322 57.422 56.100 0.000 0.000 0.960 20 R CB -0.617 29.683 30.300 0.001 0.000 0.856 20 R HN 0.503 nan 8.270 nan 0.000 0.436 21 A N 1.310 124.126 122.820 -0.007 0.000 1.930 21 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 21 A C 2.376 179.946 177.584 -0.023 0.000 1.175 21 A CA 1.583 53.612 52.037 -0.014 0.000 0.627 21 A CB -0.567 18.427 19.000 -0.011 0.000 0.815 21 A HN 0.393 nan 8.150 nan 0.000 0.443 22 A N -0.059 122.752 122.820 -0.015 0.000 1.898 22 A HA 0.180 4.499 4.320 -0.000 0.000 0.216 22 A C 2.510 180.078 177.584 -0.027 0.000 1.181 22 A CA 2.006 54.032 52.037 -0.019 0.000 0.620 22 A CB -1.041 17.957 19.000 -0.004 0.000 0.819 22 A HN 1.044 nan 8.150 nan 0.000 0.442 23 A N -1.087 121.724 122.820 -0.015 0.000 1.883 23 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 23 A C 2.144 179.709 177.584 -0.032 0.000 1.186 23 A CA 1.796 53.826 52.037 -0.012 0.000 0.624 23 A CB -0.517 18.484 19.000 0.002 0.000 0.822 23 A HN 0.492 nan 8.150 nan 0.000 0.444 24 Q N -0.708 119.070 119.800 -0.038 0.000 2.084 24 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 24 Q C 2.206 178.108 176.000 -0.163 0.000 0.978 24 Q CA 1.529 57.300 55.803 -0.054 0.000 0.844 24 Q CB -0.577 28.142 28.738 -0.031 0.000 0.898 24 Q HN 0.747 nan 8.270 nan 0.000 0.426 25 L N 0.055 121.185 121.223 -0.155 0.000 2.046 25 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 25 L C 1.840 178.511 176.870 -0.331 0.000 1.077 25 L CA 0.977 55.689 54.840 -0.212 0.000 0.747 25 L CB -0.058 41.936 42.059 -0.108 0.000 0.896 25 L HN 0.153 nan 8.230 nan 0.000 0.432 26 L N -1.089 120.011 121.223 -0.205 0.000 2.591 26 L HA 0.031 4.371 4.340 -0.000 0.000 0.228 26 L C 0.166 176.995 176.870 -0.069 0.000 1.133 26 L CA 0.024 54.785 54.840 -0.132 0.000 0.880 26 L CB -0.631 41.406 42.059 -0.036 0.000 1.033 26 L HN 0.380 nan 8.230 nan 0.000 0.450 27 H N -1.048 118.028 119.070 0.010 0.000 2.756 27 H HA -0.146 4.410 4.556 -0.000 0.000 0.315 27 H C -0.376 174.957 175.328 0.009 0.000 1.210 27 H CA -0.056 55.998 56.048 0.009 0.000 1.150 27 H CB -1.815 27.952 29.762 0.008 0.000 1.463 27 H HN 0.254 nan 8.280 nan 0.000 0.427 28 L N -0.242 121.027 121.223 0.076 0.000 2.330 28 L HA 0.395 4.734 4.340 -0.000 0.000 0.271 28 L C 0.755 177.650 176.870 0.042 0.000 1.013 28 L CA -0.866 54.006 54.840 0.054 0.000 0.816 28 L CB 1.801 43.880 42.059 0.033 0.000 1.287 28 L HN 0.219 nan 8.230 nan 0.000 0.435 29 S N 0.790 116.511 115.700 0.035 0.000 2.525 29 S HA 0.019 4.489 4.470 -0.000 0.000 0.285 29 S C 0.902 175.513 174.600 0.019 0.000 1.283 29 S CA -0.145 58.070 58.200 0.026 0.000 1.072 29 S CB 0.694 63.906 63.200 0.021 0.000 0.867 29 S HN 0.707 nan 8.310 nan 0.000 0.492 30 Q N 4.987 124.797 119.800 0.016 0.000 2.030 30 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 30 Q C -0.547 175.458 176.000 0.009 0.000 0.986 30 Q CA 1.713 57.522 55.803 0.011 0.000 0.843 30 Q CB -0.923 27.820 28.738 0.009 0.000 0.904 30 Q HN 0.678 nan 8.270 nan 0.000 0.420 31 P HA -0.164 nan 4.420 nan 0.000 0.216 31 P C 0.875 178.179 177.300 0.006 0.000 1.150 31 P CA 1.886 64.990 63.100 0.006 0.000 0.837 31 P CB -0.075 31.628 31.700 0.005 0.000 0.786 32 A N 0.101 122.926 122.820 0.009 0.000 1.883 32 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 32 A C 2.248 179.838 177.584 0.009 0.000 1.186 32 A CA 1.795 53.837 52.037 0.009 0.000 0.624 32 A CB -1.670 17.338 19.000 0.013 0.000 0.822 32 A HN 0.200 nan 8.150 nan 0.000 0.444 33 L N -0.222 121.008 121.223 0.011 0.000 2.056 33 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 33 L C 2.567 179.441 176.870 0.006 0.000 1.078 33 L CA 2.562 57.409 54.840 0.011 0.000 0.749 33 L CB -0.836 41.230 42.059 0.013 0.000 0.901 33 L HN 0.357 nan 8.230 nan 0.000 0.433 34 S N -0.633 115.070 115.700 0.004 0.000 2.359 34 S HA -0.222 4.247 4.470 -0.000 0.000 0.224 34 S C 2.165 176.763 174.600 -0.005 0.000 1.035 34 S CA 1.454 59.654 58.200 -0.000 0.000 1.018 34 S CB -0.536 62.664 63.200 0.000 0.000 0.876 34 S HN 0.670 nan 8.310 nan 0.000 0.448 35 A N 1.192 124.010 122.820 -0.003 0.000 1.933 35 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 35 A C 2.458 180.036 177.584 -0.009 0.000 1.175 35 A CA 1.849 53.882 52.037 -0.007 0.000 0.628 35 A CB -1.323 17.674 19.000 -0.004 0.000 0.814 35 A HN 0.780 nan 8.150 nan 0.000 0.444 36 A N -0.163 122.655 122.820 -0.004 0.000 1.902 36 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 36 A C 2.111 179.687 177.584 -0.013 0.000 1.181 36 A CA 1.523 53.557 52.037 -0.004 0.000 0.623 36 A CB -0.536 18.468 19.000 0.007 0.000 0.818 36 A HN 0.495 nan 8.150 nan 0.000 0.443 37 I N -0.997 119.564 120.570 -0.014 0.000 2.286 37 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 37 I C 2.717 178.806 176.117 -0.047 0.000 1.104 37 I CA 1.581 62.863 61.300 -0.029 0.000 1.397 37 I CB -0.240 37.750 38.000 -0.017 0.000 1.072 37 I HN 0.410 nan 8.210 nan 0.000 0.417 38 Q N 1.184 120.963 119.800 -0.035 0.000 2.077 38 Q HA -0.308 4.032 4.340 -0.000 0.000 0.206 38 Q C 2.154 178.124 176.000 -0.050 0.000 0.989 38 Q CA 2.017 57.795 55.803 -0.041 0.000 0.853 38 Q CB -0.347 28.374 28.738 -0.029 0.000 0.907 38 Q HN 0.472 nan 8.270 nan 0.000 0.418 39 Q N -0.907 118.869 119.800 -0.040 0.000 2.124 39 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 39 Q C 1.956 177.921 176.000 -0.058 0.000 0.977 39 Q CA 1.400 57.179 55.803 -0.041 0.000 0.850 39 Q CB -0.185 28.537 28.738 -0.026 0.000 0.901 39 Q HN 0.475 nan 8.270 nan 0.000 0.429 40 L N 1.241 122.422 121.223 -0.070 0.000 2.017 40 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 40 L C 1.811 178.584 176.870 -0.162 0.000 1.073 40 L CA 1.950 56.723 54.840 -0.111 0.000 0.745 40 L CB -0.459 41.525 42.059 -0.125 0.000 0.894 40 L HN 0.217 nan 8.230 nan 0.000 0.432 41 E N -0.482 119.626 120.200 -0.153 0.000 2.085 41 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 41 E C 1.782 178.300 176.600 -0.136 0.000 0.994 41 E CA 1.388 57.692 56.400 -0.161 0.000 0.801 41 E CB -0.235 29.392 29.700 -0.122 0.000 0.743 41 E HN 0.584 nan 8.360 nan 0.000 0.453 42 D N 0.810 121.150 120.400 -0.100 0.000 2.117 42 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 42 D C 1.757 178.007 176.300 -0.083 0.000 0.987 42 D CA 1.070 55.020 54.000 -0.083 0.000 0.829 42 D CB -0.200 40.564 40.800 -0.060 0.000 0.961 42 D HN 0.293 nan 8.370 nan 0.000 0.460 43 E N 0.219 120.370 120.200 -0.082 0.000 2.072 43 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 43 E C 2.223 178.773 176.600 -0.083 0.000 0.985 43 E CA 0.459 56.818 56.400 -0.069 0.000 0.801 43 E CB -0.070 29.597 29.700 -0.054 0.000 0.750 43 E HN 0.253 nan 8.360 nan 0.000 0.452 44 L N 0.449 121.598 121.223 -0.123 0.000 2.478 44 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 44 L C 0.505 177.285 176.870 -0.150 0.000 1.140 44 L CA 0.401 55.158 54.840 -0.137 0.000 0.842 44 L CB -0.234 41.694 42.059 -0.217 0.000 0.953 44 L HN 0.059 nan 8.230 nan 0.000 0.452 45 K N -0.490 119.820 120.400 -0.150 0.000 3.071 45 K HA -0.185 4.135 4.320 -0.000 0.000 0.265 45 K C -0.128 176.312 176.600 -0.266 0.000 1.060 45 K CA 0.419 56.607 56.287 -0.166 0.000 0.767 45 K CB -1.625 30.800 32.500 -0.125 0.000 1.241 45 K HN 0.431 nan 8.250 nan 0.000 0.486 46 A N -0.272 122.361 122.820 -0.312 0.000 2.604 46 A HA 0.643 4.963 4.320 -0.000 0.000 0.295 46 A C -2.926 174.486 177.584 -0.286 0.000 1.067 46 A CA -1.355 50.395 52.037 -0.477 0.000 0.683 46 A CB 1.456 19.865 19.000 -0.985 0.000 1.281 46 A HN -0.099 nan 8.150 nan 0.000 0.407 47 P HA 0.462 nan 4.420 nan 0.000 0.279 47 P C 0.265 177.585 177.300 0.033 0.000 1.239 47 P CA -0.265 62.803 63.100 -0.053 0.000 0.789 47 P CB 0.741 32.446 31.700 0.008 0.000 0.933 48 L N 1.226 122.446 121.223 -0.005 0.000 2.416 48 L HA 0.225 4.564 4.340 -0.000 0.000 0.216 48 L C 0.681 177.588 176.870 0.062 0.000 1.098 48 L CA 0.560 55.419 54.840 0.032 0.000 0.840 48 L CB -0.104 41.923 42.059 -0.053 0.000 0.981 48 L HN 0.270 nan 8.230 nan 0.000 0.462 49 L N -0.382 120.866 121.223 0.042 0.000 2.370 49 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 49 L C -1.052 175.842 176.870 0.039 0.000 1.002 49 L CA -0.631 54.232 54.840 0.038 0.000 0.818 49 L CB 3.073 45.145 42.059 0.022 0.000 1.325 49 L HN -0.353 nan 8.230 nan 0.000 0.418 50 V N 2.295 122.230 119.914 0.035 0.000 2.709 50 V HA 0.554 4.674 4.120 -0.000 0.000 0.308 50 V C -0.554 175.553 176.094 0.020 0.000 1.062 50 V CA -0.627 61.690 62.300 0.030 0.000 0.901 50 V CB 2.252 34.096 31.823 0.035 0.000 1.003 50 V HN 0.808 nan 8.190 nan 0.000 0.425 51 R N 3.621 124.130 120.500 0.016 0.000 2.490 51 R HA 0.640 4.980 4.340 -0.000 0.000 0.280 51 R C 0.009 176.315 176.300 0.011 0.000 1.077 51 R CA 0.774 56.881 56.100 0.012 0.000 1.065 51 R CB 0.986 31.291 30.300 0.009 0.000 1.003 51 R HN 1.030 nan 8.270 nan 0.000 0.470 52 T N -0.084 114.475 114.554 0.009 0.000 2.888 52 T HA 0.457 4.807 4.350 -0.000 0.000 0.288 52 T C 1.061 175.764 174.700 0.006 0.000 1.063 52 T CA -0.333 61.771 62.100 0.007 0.000 1.010 52 T CB 1.447 70.320 68.868 0.007 0.000 1.214 52 T HN 0.485 nan 8.240 nan 0.000 0.533 53 K N -0.188 120.215 120.400 0.005 0.000 2.147 53 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 53 K C 2.776 179.378 176.600 0.004 0.000 1.049 53 K CA 2.061 58.350 56.287 0.004 0.000 0.936 53 K CB -1.733 30.769 32.500 0.003 0.000 0.722 53 K HN 0.870 nan 8.250 nan 0.000 0.446 54 R N -0.238 120.264 120.500 0.004 0.000 2.070 54 R HA 0.294 4.634 4.340 -0.000 0.000 0.233 54 R C 2.364 178.667 176.300 0.004 0.000 1.137 54 R CA 2.531 58.633 56.100 0.004 0.000 0.945 54 R CB -1.044 29.258 30.300 0.004 0.000 0.845 54 R HN 1.114 nan 8.270 nan 0.000 0.430 55 G N -2.286 106.517 108.800 0.005 0.000 2.445 55 G HA2 0.362 4.322 3.960 -0.000 0.000 0.104 55 G HA3 0.362 4.322 3.960 -0.000 0.000 0.104 55 G C -0.470 174.435 174.900 0.008 0.000 0.958 55 G CA 0.616 45.720 45.100 0.006 0.000 1.324 55 G HN 1.356 nan 8.290 nan 0.000 0.549 56 V N -1.442 118.478 119.914 0.010 0.000 3.007 56 V HA 0.944 5.064 4.120 -0.000 0.000 0.311 56 V C -0.509 175.594 176.094 0.015 0.000 1.120 56 V CA -0.416 61.892 62.300 0.013 0.000 0.980 56 V CB 1.441 33.272 31.823 0.015 0.000 1.033 56 V HN 0.846 nan 8.190 nan 0.000 0.429 57 S N 2.184 117.895 115.700 0.018 0.000 2.634 57 S HA 0.768 5.237 4.470 -0.000 0.000 0.296 57 S C -0.512 174.106 174.600 0.030 0.000 1.104 57 S CA -0.822 57.391 58.200 0.021 0.000 0.920 57 S CB 1.679 64.888 63.200 0.015 0.000 1.111 57 S HN 0.799 nan 8.310 nan 0.000 0.493 58 L N 2.367 123.611 121.223 0.035 0.000 2.426 58 L HA 0.273 4.613 4.340 -0.000 0.000 0.271 58 L C 1.244 178.140 176.870 0.043 0.000 1.169 58 L CA -0.427 54.443 54.840 0.051 0.000 0.836 58 L CB 0.378 42.472 42.059 0.059 0.000 1.112 58 L HN 0.794 nan 8.230 nan 0.000 0.465 59 T N -1.653 112.940 114.554 0.066 0.000 2.732 59 T HA 0.062 4.412 4.350 -0.000 0.000 0.287 59 T C 1.355 176.046 174.700 -0.015 0.000 0.993 59 T CA -0.218 61.913 62.100 0.052 0.000 0.966 59 T CB 0.992 69.960 68.868 0.166 0.000 1.047 59 T HN 0.731 nan 8.240 nan 0.000 0.527 60 S N 0.410 116.012 115.700 -0.164 0.000 2.370 60 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 60 S C 1.723 176.173 174.600 -0.250 0.000 1.033 60 S CA 1.113 59.146 58.200 -0.280 0.000 1.011 60 S CB -1.197 61.716 63.200 -0.478 0.000 0.852 60 S HN 0.641 nan 8.310 nan 0.000 0.457 61 F N 2.741 122.718 119.950 0.045 0.000 2.134 61 F HA 0.175 4.702 4.527 -0.000 0.000 0.299 61 F C 2.915 178.780 175.800 0.109 0.000 1.097 61 F CA 0.608 58.647 58.000 0.064 0.000 1.264 61 F CB -1.356 37.660 39.000 0.027 0.000 1.001 61 F HN 0.372 nan 8.300 nan 0.000 0.479 62 G N -0.722 108.227 108.800 0.248 0.000 2.422 62 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 62 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 62 G C 1.517 176.538 174.900 0.203 0.000 1.146 62 G CA 0.558 45.790 45.100 0.219 0.000 0.769 62 G HN 0.350 nan 8.290 nan 0.000 0.547 63 Q N 0.204 120.074 119.800 0.116 0.000 2.079 63 Q HA 0.054 4.394 4.340 -0.000 0.000 0.200 63 Q C 3.017 179.067 176.000 0.084 0.000 0.974 63 Q CA 1.264 57.111 55.803 0.073 0.000 0.840 63 Q CB -0.262 28.487 28.738 0.019 0.000 0.898 63 Q HN 0.462 nan 8.270 nan 0.000 0.430 64 A N 0.573 123.461 122.820 0.113 0.000 1.877 64 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 64 A C 1.896 179.617 177.584 0.227 0.000 1.186 64 A CA 1.283 53.403 52.037 0.137 0.000 0.620 64 A CB -0.854 18.251 19.000 0.175 0.000 0.822 64 A HN 0.457 nan 8.150 nan 0.000 0.443 65 F N -0.383 119.670 119.950 0.172 0.000 2.171 65 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 65 F C 2.139 178.035 175.800 0.159 0.000 1.090 65 F CA 2.143 60.271 58.000 0.213 0.000 1.293 65 F CB -0.207 38.879 39.000 0.143 0.000 1.013 65 F HN 0.256 nan 8.300 nan 0.000 0.486 66 M N 0.916 120.604 119.600 0.147 0.000 2.213 66 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 66 M C 1.892 178.140 176.300 -0.087 0.000 1.062 66 M CA 1.720 57.036 55.300 0.028 0.000 1.105 66 M CB -0.556 32.090 32.600 0.077 0.000 1.385 66 M HN 0.047 nan 8.290 nan 0.000 0.417 67 K N -1.150 119.178 120.400 -0.121 0.000 2.063 67 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 67 K C 2.004 178.436 176.600 -0.279 0.000 1.048 67 K CA 1.568 57.729 56.287 -0.211 0.000 0.928 67 K CB -0.590 31.743 32.500 -0.278 0.000 0.713 67 K HN 0.535 nan 8.250 nan 0.000 0.442 68 H N 0.282 119.227 119.070 -0.208 0.000 2.357 68 H HA -0.003 4.553 4.556 -0.000 0.000 0.301 68 H C 2.258 177.400 175.328 -0.310 0.000 1.082 68 H CA 1.355 57.245 56.048 -0.264 0.000 1.342 68 H CB -0.239 29.314 29.762 -0.348 0.000 1.389 68 H HN 0.259 nan 8.280 nan 0.000 0.511 69 A N 1.756 124.383 122.820 -0.323 0.000 1.908 69 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 69 A C 2.526 180.051 177.584 -0.099 0.000 1.181 69 A CA 1.617 53.510 52.037 -0.241 0.000 0.627 69 A CB -0.478 18.413 19.000 -0.181 0.000 0.818 69 A HN 0.330 nan 8.150 nan 0.000 0.445 70 R N -0.712 119.737 120.500 -0.085 0.000 2.075 70 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 70 R C 2.084 178.357 176.300 -0.046 0.000 1.126 70 R CA 1.374 57.444 56.100 -0.050 0.000 0.963 70 R CB -0.511 29.761 30.300 -0.047 0.000 0.858 70 R HN 0.512 nan 8.270 nan 0.000 0.435 71 L N 0.339 121.526 121.223 -0.060 0.000 2.046 71 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 71 L C 2.331 179.185 176.870 -0.026 0.000 1.077 71 L CA 1.309 56.124 54.840 -0.040 0.000 0.747 71 L CB -0.339 41.695 42.059 -0.041 0.000 0.896 71 L HN 0.174 nan 8.230 nan 0.000 0.432 72 I N -1.257 119.293 120.570 -0.033 0.000 2.252 72 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 72 I C 2.403 178.513 176.117 -0.011 0.000 1.102 72 I CA 0.844 62.132 61.300 -0.021 0.000 1.385 72 I CB -0.192 37.788 38.000 -0.033 0.000 1.064 72 I HN -0.024 nan 8.210 nan 0.000 0.414 73 V N 0.434 120.341 119.914 -0.012 0.000 2.295 73 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 73 V C 2.504 178.598 176.094 0.000 0.000 1.049 73 V CA 2.471 64.770 62.300 -0.000 0.000 1.024 73 V CB -0.888 30.937 31.823 0.003 0.000 0.648 73 V HN 0.465 nan 8.190 nan 0.000 0.447 74 T N -0.640 113.911 114.554 -0.006 0.000 2.746 74 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 74 T C 1.921 176.621 174.700 -0.001 0.000 1.039 74 T CA 1.806 63.903 62.100 -0.004 0.000 1.142 74 T CB -0.207 68.656 68.868 -0.009 0.000 0.866 74 T HN 0.449 nan 8.240 nan 0.000 0.444 75 E N 1.039 121.237 120.200 -0.003 0.000 2.106 75 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 75 E C 2.392 178.995 176.600 0.004 0.000 0.984 75 E CA 1.029 57.429 56.400 -0.000 0.000 0.806 75 E CB -0.300 29.399 29.700 -0.001 0.000 0.750 75 E HN 0.338 nan 8.360 nan 0.000 0.458 76 S N -0.089 115.614 115.700 0.005 0.000 2.368 76 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 76 S C 1.910 176.516 174.600 0.011 0.000 1.029 76 S CA 1.196 59.402 58.200 0.009 0.000 0.988 76 S CB -0.259 62.948 63.200 0.012 0.000 0.838 76 S HN 0.271 nan 8.310 nan 0.000 0.462 77 R N 1.239 121.745 120.500 0.010 0.000 2.075 77 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 77 R C 2.403 178.710 176.300 0.012 0.000 1.126 77 R CA 1.055 57.162 56.100 0.013 0.000 0.963 77 R CB -0.106 30.200 30.300 0.011 0.000 0.858 77 R HN 0.261 nan 8.270 nan 0.000 0.435 78 R N 0.012 120.517 120.500 0.009 0.000 2.091 78 R HA -0.107 4.232 4.340 -0.000 0.000 0.238 78 R C 2.363 178.669 176.300 0.010 0.000 1.136 78 R CA 1.504 57.609 56.100 0.009 0.000 0.959 78 R CB -0.373 29.931 30.300 0.006 0.000 0.856 78 R HN 0.286 nan 8.270 nan 0.000 0.437 79 A N 1.028 123.854 122.820 0.009 0.000 1.883 79 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 79 A C 2.077 179.669 177.584 0.013 0.000 1.186 79 A CA 1.247 53.289 52.037 0.009 0.000 0.624 79 A CB -0.379 18.625 19.000 0.007 0.000 0.822 79 A HN 0.244 nan 8.150 nan 0.000 0.444 80 Q N -0.343 119.466 119.800 0.016 0.000 2.084 80 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 80 Q C 1.944 177.958 176.000 0.025 0.000 0.978 80 Q CA 1.712 57.527 55.803 0.021 0.000 0.844 80 Q CB -0.354 28.398 28.738 0.022 0.000 0.898 80 Q HN 0.815 nan 8.270 nan 0.000 0.426 81 E N 0.761 120.974 120.200 0.022 0.000 2.051 81 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 81 E C 1.987 178.602 176.600 0.026 0.000 0.991 81 E CA 0.965 57.379 56.400 0.024 0.000 0.799 81 E CB -0.037 29.675 29.700 0.020 0.000 0.748 81 E HN 0.397 nan 8.360 nan 0.000 0.449 82 E N 0.562 120.774 120.200 0.021 0.000 2.047 82 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 82 E C 2.086 178.700 176.600 0.023 0.000 0.987 82 E CA 0.796 57.208 56.400 0.020 0.000 0.799 82 E CB 0.122 29.829 29.700 0.012 0.000 0.752 82 E HN 0.105 nan 8.360 nan 0.000 0.449 83 I N 1.190 121.772 120.570 0.021 0.000 2.226 83 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 83 I C 2.555 178.700 176.117 0.047 0.000 1.100 83 I CA 1.544 62.858 61.300 0.023 0.000 1.374 83 I CB -1.788 36.223 38.000 0.017 0.000 1.057 83 I HN 0.256 nan 8.210 nan 0.000 0.413 84 G N 0.240 109.069 108.800 0.049 0.000 2.440 84 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 84 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 84 G C 1.542 176.485 174.900 0.072 0.000 1.154 84 G CA 0.362 45.500 45.100 0.063 0.000 0.767 84 G HN 0.331 nan 8.290 nan 0.000 0.552 85 Q N 0.037 119.872 119.800 0.059 0.000 2.079 85 Q HA 0.059 4.399 4.340 -0.000 0.000 0.200 85 Q C 2.836 178.884 176.000 0.080 0.000 0.974 85 Q CA 0.807 56.647 55.803 0.063 0.000 0.840 85 Q CB -0.429 28.337 28.738 0.047 0.000 0.898 85 Q HN 0.521 nan 8.270 nan 0.000 0.430 86 L N 0.054 121.319 121.223 0.069 0.000 2.056 86 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 86 L C 2.731 179.685 176.870 0.139 0.000 1.078 86 L CA 1.127 56.013 54.840 0.075 0.000 0.749 86 L CB -0.458 41.615 42.059 0.023 0.000 0.901 86 L HN 0.159 nan 8.230 nan 0.000 0.433 87 R N 0.520 121.109 120.500 0.149 0.000 2.081 87 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 87 R C 2.263 178.742 176.300 0.299 0.000 1.131 87 R CA 1.532 57.799 56.100 0.278 0.000 0.960 87 R CB -0.554 29.884 30.300 0.231 0.000 0.856 87 R HN 0.368 nan 8.270 nan 0.000 0.436 88 G N 0.657 109.569 108.800 0.188 0.000 2.440 88 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 88 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 88 G C 1.479 176.477 174.900 0.162 0.000 1.154 88 G CA 0.628 45.817 45.100 0.148 0.000 0.767 88 G HN 0.320 nan 8.290 nan 0.000 0.552 89 R N -1.385 119.228 120.500 0.187 0.000 2.090 89 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 89 R C 2.241 178.715 176.300 0.291 0.000 1.110 89 R CA 1.072 57.296 56.100 0.208 0.000 0.973 89 R CB -0.338 30.067 30.300 0.175 0.000 0.869 89 R HN 0.539 nan 8.270 nan 0.000 0.440 90 W N 2.368 123.728 121.300 0.100 0.000 2.378 90 W HA -0.124 4.536 4.660 -0.000 0.000 0.313 90 W C 0.594 177.178 176.519 0.108 0.000 1.197 90 W CA 1.074 58.481 57.345 0.104 0.000 1.304 90 W CB -0.175 29.332 29.460 0.077 0.000 1.148 90 W HN -0.073 nan 8.180 nan 0.000 0.494 91 E N -0.353 119.868 120.200 0.036 0.000 3.079 91 E HA 0.109 4.459 4.350 -0.000 0.000 0.267 91 E C 0.932 177.488 176.600 -0.075 0.000 1.509 91 E CA 0.401 56.700 56.400 -0.168 0.000 1.630 91 E CB -0.750 28.937 29.700 -0.020 0.000 1.373 91 E HN 0.421 nan 8.360 nan 0.000 0.439 92 G N 0.160 108.927 108.800 -0.056 0.000 3.738 92 G HA2 0.045 4.005 3.960 -0.000 0.000 0.241 92 G HA3 0.045 4.005 3.960 -0.000 0.000 0.241 92 G C -0.282 174.345 174.900 -0.455 0.000 1.068 92 G CA -0.325 44.659 45.100 -0.194 0.000 0.899 92 G HN 0.229 nan 8.290 nan 0.000 0.519 93 H N -0.767 118.311 119.070 0.014 0.000 2.894 93 H HA 0.681 5.237 4.556 -0.000 0.000 0.367 93 H C -1.092 174.249 175.328 0.023 0.000 1.144 93 H CA -0.517 55.553 56.048 0.036 0.000 1.180 93 H CB 2.409 32.200 29.762 0.047 0.000 1.758 93 H HN 0.026 nan 8.280 nan 0.000 0.541 94 I N 1.570 122.232 120.570 0.153 0.000 2.569 94 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 94 I C -0.657 175.525 176.117 0.108 0.000 1.088 94 I CA -0.584 60.781 61.300 0.108 0.000 1.047 94 I CB 2.389 40.425 38.000 0.059 0.000 1.237 94 I HN 0.584 nan 8.210 nan 0.000 0.421 95 T N 6.091 120.679 114.554 0.057 0.000 2.841 95 T HA 0.781 5.131 4.350 -0.000 0.000 0.285 95 T C -0.989 173.649 174.700 -0.103 0.000 0.991 95 T CA -0.414 61.679 62.100 -0.012 0.000 0.966 95 T CB 0.808 69.657 68.868 -0.032 0.000 0.962 95 T HN 0.464 nan 8.240 nan 0.000 0.438 96 F N 2.012 121.710 119.950 -0.419 0.000 2.685 96 F HA 0.923 5.450 4.527 0.000 0.000 0.315 96 F C -1.037 174.572 175.800 -0.318 0.000 1.126 96 F CA -1.488 56.146 58.000 -0.611 0.000 0.950 96 F CB 0.917 39.036 39.000 -1.468 0.000 1.360 96 F HN 0.757 nan 8.300 nan 0.000 0.469 97 A N 1.189 123.886 122.820 -0.204 0.000 2.356 97 A HA 0.979 5.299 4.320 -0.000 0.000 0.323 97 A C -1.163 176.445 177.584 0.040 0.000 1.119 97 A CA -0.373 51.568 52.037 -0.160 0.000 0.790 97 A CB 1.111 20.087 19.000 -0.039 0.000 1.273 97 A HN 1.850 nan 8.150 nan 0.000 0.452 98 A N 0.809 123.629 122.820 -0.000 0.000 2.486 98 A HA 0.749 5.069 4.320 -0.000 0.000 0.300 98 A C 0.095 177.724 177.584 0.074 0.000 1.048 98 A CA 0.104 52.212 52.037 0.118 0.000 0.696 98 A CB 1.050 20.142 19.000 0.154 0.000 1.278 98 A HN 2.036 nan 8.150 nan 0.000 0.405 99 S N 1.985 117.740 115.700 0.091 0.000 2.632 99 S HA 0.522 4.992 4.470 -0.000 0.000 0.267 99 S C -1.891 172.707 174.600 -0.003 0.000 1.276 99 S CA -0.855 57.375 58.200 0.051 0.000 0.998 99 S CB 0.701 63.935 63.200 0.056 0.000 0.953 99 S HN 0.360 nan 8.310 nan 0.000 0.547 100 P HA -0.060 nan 4.420 nan 0.000 0.215 100 P C 1.572 178.820 177.300 -0.086 0.000 1.153 100 P CA 2.003 65.032 63.100 -0.117 0.000 0.853 100 P CB -0.307 31.192 31.700 -0.335 0.000 0.788 101 A N -0.668 122.102 122.820 -0.084 0.000 1.933 101 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 101 A C 2.115 179.660 177.584 -0.066 0.000 1.175 101 A CA 1.373 53.382 52.037 -0.048 0.000 0.628 101 A CB -1.370 17.642 19.000 0.021 0.000 0.814 101 A HN 0.033 nan 8.150 nan 0.000 0.444 102 I N -0.036 120.516 120.570 -0.030 0.000 2.163 102 I HA -0.188 3.982 4.170 -0.000 0.000 0.240 102 I C 2.970 179.093 176.117 0.009 0.000 1.081 102 I CA 1.381 62.674 61.300 -0.012 0.000 1.353 102 I CB -1.690 36.348 38.000 0.064 0.000 1.054 102 I HN 0.347 nan 8.210 nan 0.000 0.407 103 A N 0.629 123.462 122.820 0.021 0.000 1.978 103 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 103 A C 2.348 179.932 177.584 -0.000 0.000 1.170 103 A CA 1.542 53.591 52.037 0.020 0.000 0.636 103 A CB -0.732 18.274 19.000 0.010 0.000 0.810 103 A HN 0.460 nan 8.150 nan 0.000 0.448 104 L N -2.559 118.654 121.223 -0.017 0.000 2.416 104 L HA 0.165 4.505 4.340 -0.000 0.000 0.216 104 L C 2.510 179.359 176.870 -0.035 0.000 1.098 104 L CA 0.699 55.526 54.840 -0.022 0.000 0.840 104 L CB -0.079 41.969 42.059 -0.019 0.000 0.981 104 L HN 0.427 nan 8.230 nan 0.000 0.462 105 A N -0.710 122.078 122.820 -0.054 0.000 1.989 105 A HA 0.403 4.723 4.320 -0.000 0.000 0.201 105 A C 2.216 179.757 177.584 -0.072 0.000 1.720 105 A CA 0.712 52.706 52.037 -0.070 0.000 0.956 105 A CB -0.565 18.375 19.000 -0.099 0.000 1.094 105 A HN 0.126 nan 8.150 nan 0.000 0.561 106 A N 0.018 122.793 122.820 -0.075 0.000 1.872 106 A HA 0.089 4.409 4.320 -0.000 0.000 0.214 106 A C 2.125 179.712 177.584 0.005 0.000 1.187 106 A CA 1.377 53.401 52.037 -0.021 0.000 0.614 106 A CB -0.737 18.248 19.000 -0.025 0.000 0.826 106 A HN 0.409 nan 8.150 nan 0.000 0.442 107 L N -0.461 120.776 121.223 0.023 0.000 2.012 107 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 107 L C -0.461 176.417 176.870 0.013 0.000 1.073 107 L CA 1.777 56.654 54.840 0.062 0.000 0.748 107 L CB -1.359 40.763 42.059 0.106 0.000 0.891 107 L HN 0.261 nan 8.230 nan 0.000 0.431 108 P HA -0.162 nan 4.420 nan 0.000 0.216 108 P C 1.944 179.178 177.300 -0.109 0.000 1.153 108 P CA 1.312 64.383 63.100 -0.048 0.000 0.848 108 P CB 0.114 31.783 31.700 -0.051 0.000 0.787 109 L N -1.243 119.854 121.223 -0.210 0.000 2.109 109 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 109 L C 2.430 179.048 176.870 -0.419 0.000 1.086 109 L CA 1.393 55.984 54.840 -0.415 0.000 0.760 109 L CB -1.029 40.598 42.059 -0.720 0.000 0.910 109 L HN -0.046 nan 8.230 nan 0.000 0.437 110 A N 0.171 122.870 122.820 -0.202 0.000 1.898 110 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 110 A C 2.215 179.834 177.584 0.059 0.000 1.181 110 A CA 1.251 53.373 52.037 0.142 0.000 0.620 110 A CB -0.620 18.551 19.000 0.284 0.000 0.819 110 A HN 0.342 nan 8.150 nan 0.000 0.442 111 L N -0.799 120.447 121.223 0.039 0.000 2.083 111 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 111 L C 3.078 179.983 176.870 0.060 0.000 1.083 111 L CA 1.021 55.912 54.840 0.086 0.000 0.752 111 L CB -0.510 41.598 42.059 0.081 0.000 0.899 111 L HN 0.448 nan 8.230 nan 0.000 0.433 112 A N -0.648 122.142 122.820 -0.049 0.000 1.873 112 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 112 A C 2.508 179.977 177.584 -0.192 0.000 1.186 112 A CA 1.980 53.962 52.037 -0.092 0.000 0.616 112 A CB -0.590 18.346 19.000 -0.108 0.000 0.823 112 A HN 0.361 nan 8.150 nan 0.000 0.442 113 S N -0.884 114.598 115.700 -0.363 0.000 2.356 113 S HA -0.143 4.327 4.470 -0.000 0.000 0.223 113 S C 1.684 175.803 174.600 -0.801 0.000 1.032 113 S CA 1.468 59.191 58.200 -0.796 0.000 1.005 113 S CB -0.583 61.672 63.200 -1.575 0.000 0.867 113 S HN 0.635 nan 8.310 nan 0.000 0.449 114 F N 2.775 122.309 119.950 -0.694 0.000 2.091 114 F HA -0.189 4.337 4.527 -0.000 0.000 0.299 114 F C 2.313 178.132 175.800 0.032 0.000 1.103 114 F CA 1.296 59.187 58.000 -0.183 0.000 1.228 114 F CB -0.720 38.304 39.000 0.040 0.000 0.984 114 F HN 0.177 nan 8.300 nan 0.000 0.477 115 A N 0.506 123.310 122.820 -0.027 0.000 2.019 115 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 115 A C 2.304 179.792 177.584 -0.160 0.000 1.164 115 A CA 1.452 53.441 52.037 -0.080 0.000 0.644 115 A CB -0.678 18.352 19.000 0.051 0.000 0.805 115 A HN 0.507 nan 8.150 nan 0.000 0.449 116 R N -0.840 119.552 120.500 -0.180 0.000 2.073 116 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 116 R C 2.231 178.408 176.300 -0.204 0.000 1.120 116 R CA 1.445 57.445 56.100 -0.167 0.000 0.967 116 R CB -0.201 30.003 30.300 -0.161 0.000 0.862 116 R HN 0.760 nan 8.270 nan 0.000 0.436 117 E N -0.159 119.890 120.200 -0.252 0.000 2.112 117 E HA -0.073 4.276 4.350 -0.000 0.000 0.190 117 E C -0.326 175.855 176.600 -0.699 0.000 0.979 117 E CA 0.694 56.862 56.400 -0.386 0.000 0.814 117 E CB 0.322 29.889 29.700 -0.222 0.000 0.762 117 E HN 0.128 nan 8.360 nan 0.000 0.460 118 F N 0.831 120.483 119.950 -0.497 0.000 2.471 118 F HA 0.293 4.820 4.527 -0.000 0.000 0.318 118 F C -1.850 173.716 175.800 -0.391 0.000 1.308 118 F CA -1.942 55.745 58.000 -0.522 0.000 1.162 118 F CB 1.553 40.015 39.000 -0.897 0.000 1.383 118 F HN 0.013 nan 8.300 nan 0.000 0.552 119 P HA -0.126 nan 4.420 nan 0.000 0.222 119 P C 0.283 177.562 177.300 -0.034 0.000 1.147 119 P CA 1.352 64.403 63.100 -0.083 0.000 0.790 119 P CB 0.421 32.070 31.700 -0.085 0.000 0.780 120 D N -0.482 119.906 120.400 -0.021 0.000 2.424 120 D HA 0.126 4.766 4.640 -0.000 0.000 0.220 120 D C 0.094 176.384 176.300 -0.016 0.000 1.150 120 D CA -0.020 53.972 54.000 -0.013 0.000 0.831 120 D CB 0.869 41.660 40.800 -0.015 0.000 0.981 120 D HN 0.052 nan 8.370 nan 0.000 0.500 121 V N 1.108 121.039 119.914 0.028 0.000 2.427 121 V HA 0.215 4.335 4.120 -0.000 0.000 0.286 121 V C 0.605 176.736 176.094 0.061 0.000 1.034 121 V CA -0.415 61.909 62.300 0.040 0.000 0.893 121 V CB 1.904 33.840 31.823 0.189 0.000 0.982 121 V HN -0.068 nan 8.190 nan 0.000 0.452 122 T N 4.891 119.408 114.554 -0.062 0.000 2.749 122 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 122 T C -0.126 174.632 174.700 0.097 0.000 0.936 122 T CA -0.135 61.976 62.100 0.019 0.000 1.060 122 T CB 1.015 69.882 68.868 -0.000 0.000 0.904 122 T HN 0.376 nan 8.240 nan 0.000 0.500 123 V N 4.801 124.788 119.914 0.122 0.000 2.483 123 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 123 V C 0.205 176.341 176.094 0.070 0.000 1.035 123 V CA -0.986 61.385 62.300 0.117 0.000 0.896 123 V CB 1.663 33.561 31.823 0.125 0.000 0.986 123 V HN 0.759 nan 8.190 nan 0.000 0.447 124 N N 3.451 122.170 118.700 0.032 0.000 2.483 124 N HA 0.399 5.139 4.740 -0.000 0.000 0.267 124 N C -1.465 173.896 175.510 -0.249 0.000 0.998 124 N CA -0.096 52.917 53.050 -0.062 0.000 0.918 124 N CB 1.931 40.399 38.487 -0.033 0.000 1.215 124 N HN 0.483 nan 8.380 nan 0.000 0.500 125 V N 4.880 124.592 119.914 -0.337 0.000 2.555 125 V HA 0.689 4.809 4.120 -0.000 0.000 0.302 125 V C -0.528 175.319 176.094 -0.411 0.000 1.038 125 V CA -0.621 61.276 62.300 -0.672 0.000 0.887 125 V CB 1.321 32.686 31.823 -0.763 0.000 0.991 125 V HN 0.775 nan 8.190 nan 0.000 0.434 126 R N 3.449 123.690 120.500 -0.431 0.000 2.888 126 R HA 0.645 4.985 4.340 -0.000 0.000 0.264 126 R C -1.367 174.822 176.300 -0.185 0.000 1.045 126 R CA -1.008 54.953 56.100 -0.232 0.000 0.962 126 R CB 1.431 31.629 30.300 -0.170 0.000 1.210 126 R HN 0.481 nan 8.270 nan 0.000 0.479 127 D N -0.259 120.089 120.400 -0.088 0.000 2.362 127 D HA 0.447 5.087 4.640 -0.000 0.000 0.242 127 D C -0.041 176.252 176.300 -0.012 0.000 1.132 127 D CA 0.539 54.523 54.000 -0.026 0.000 0.907 127 D CB 1.605 42.417 40.800 0.021 0.000 1.195 127 D HN 0.731 nan 8.370 nan 0.000 0.429 128 G N -0.131 108.688 108.800 0.031 0.000 2.616 128 G HA2 0.480 4.440 3.960 -0.000 0.000 0.294 128 G HA3 0.480 4.440 3.960 -0.000 0.000 0.294 128 G C -1.530 173.430 174.900 0.099 0.000 1.489 128 G CA -0.730 44.401 45.100 0.051 0.000 0.836 128 G HN 0.403 nan 8.290 nan 0.000 0.527 129 M N 1.097 120.762 119.600 0.109 0.000 2.550 129 M HA 0.694 5.174 4.480 -0.000 0.000 0.292 129 M C -1.766 174.629 176.300 0.158 0.000 1.221 129 M CA -1.053 54.336 55.300 0.149 0.000 0.873 129 M CB 2.561 35.252 32.600 0.151 0.000 1.727 129 M HN 0.649 nan 8.290 nan 0.000 0.459 130 Y N 4.542 124.888 120.300 0.077 0.000 2.299 130 Y HA 0.482 5.032 4.550 -0.000 0.000 0.326 130 Y C -1.945 173.995 175.900 0.066 0.000 1.164 130 Y CA -1.225 56.914 58.100 0.066 0.000 1.234 130 Y CB 1.155 39.654 38.460 0.064 0.000 1.219 130 Y HN 0.476 nan 8.280 nan 0.000 0.497 131 P HA 0.113 nan 4.420 nan 0.000 0.255 131 P C 0.638 177.677 177.300 -0.435 0.000 1.248 131 P CA 0.845 63.286 63.100 -1.098 0.000 0.807 131 P CB 0.146 31.261 31.700 -0.975 0.000 1.150 132 A N 1.249 123.956 122.820 -0.188 0.000 1.917 132 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 132 A C 2.168 179.718 177.584 -0.056 0.000 1.182 132 A CA 2.489 54.473 52.037 -0.088 0.000 0.633 132 A CB -1.735 17.247 19.000 -0.030 0.000 0.819 132 A HN 0.201 nan 8.150 nan 0.000 0.448 133 V N -2.719 117.188 119.914 -0.012 0.000 3.078 133 V HA -0.098 4.021 4.120 -0.000 0.000 0.265 133 V C 2.172 178.292 176.094 0.043 0.000 1.122 133 V CA 2.075 64.399 62.300 0.039 0.000 1.141 133 V CB -1.056 30.830 31.823 0.105 0.000 0.735 133 V HN 0.460 nan 8.190 nan 0.000 0.498 134 S N 1.896 117.593 115.700 -0.005 0.000 2.353 134 S HA -0.083 4.386 4.470 -0.000 0.000 0.222 134 S C 0.442 175.054 174.600 0.019 0.000 1.035 134 S CA 2.219 60.437 58.200 0.030 0.000 1.025 134 S CB -1.229 61.937 63.200 -0.057 0.000 0.902 134 S HN 0.660 nan 8.310 nan 0.000 0.440 135 P HA -0.082 nan 4.420 nan 0.000 0.220 135 P C 1.056 178.358 177.300 0.004 0.000 1.148 135 P CA 1.241 64.338 63.100 -0.006 0.000 0.803 135 P CB -0.157 31.533 31.700 -0.017 0.000 0.782 136 Q N -0.695 119.109 119.800 0.008 0.000 2.163 136 Q HA 0.038 4.378 4.340 -0.000 0.000 0.198 136 Q C 2.417 178.432 176.000 0.025 0.000 0.954 136 Q CA 0.771 56.580 55.803 0.011 0.000 0.851 136 Q CB -0.535 28.206 28.738 0.005 0.000 0.928 136 Q HN 0.216 nan 8.270 nan 0.000 0.459 137 L N 0.204 121.454 121.223 0.044 0.000 2.046 137 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 137 L C 2.414 179.308 176.870 0.040 0.000 1.077 137 L CA 1.369 56.246 54.840 0.061 0.000 0.747 137 L CB -0.289 41.826 42.059 0.094 0.000 0.896 137 L HN 0.172 nan 8.230 nan 0.000 0.432 138 R N 0.150 120.667 120.500 0.028 0.000 2.073 138 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 138 R C 1.834 178.137 176.300 0.005 0.000 1.120 138 R CA 1.526 57.631 56.100 0.009 0.000 0.967 138 R CB -0.370 29.934 30.300 0.006 0.000 0.862 138 R HN 0.515 nan 8.270 nan 0.000 0.436 139 D N -1.097 119.308 120.400 0.008 0.000 2.347 139 D HA -0.003 4.636 4.640 -0.000 0.000 0.215 139 D C 1.170 177.477 176.300 0.012 0.000 0.976 139 D CA 1.064 55.068 54.000 0.006 0.000 0.884 139 D CB 0.102 40.904 40.800 0.003 0.000 0.915 139 D HN 0.317 nan 8.370 nan 0.000 0.526 140 G N -0.281 108.530 108.800 0.020 0.000 2.176 140 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.232 140 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.232 140 G C 1.168 176.087 174.900 0.031 0.000 0.986 140 G CA 0.925 46.044 45.100 0.031 0.000 0.643 140 G HN 0.601 nan 8.290 nan 0.000 0.522 141 T N -2.122 112.443 114.554 0.018 0.000 2.951 141 T HA 0.379 4.729 4.350 -0.000 0.000 0.268 141 T C 0.884 175.587 174.700 0.005 0.000 1.073 141 T CA 1.336 63.441 62.100 0.008 0.000 1.134 141 T CB 0.371 69.238 68.868 -0.002 0.000 0.884 141 T HN 0.700 nan 8.240 nan 0.000 0.479 142 L N 1.775 123.006 121.223 0.013 0.000 2.325 142 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 142 L C 0.223 177.115 176.870 0.036 0.000 1.004 142 L CA -0.526 54.315 54.840 0.002 0.000 0.823 142 L CB 1.825 43.885 42.059 0.001 0.000 1.236 142 L HN -0.093 nan 8.230 nan 0.000 0.415 143 D N 3.827 124.244 120.400 0.028 0.000 2.084 143 D HA -0.045 4.595 4.640 -0.000 0.000 0.196 143 D C 0.118 176.560 176.300 0.236 0.000 0.985 143 D CA 1.876 55.951 54.000 0.126 0.000 0.826 143 D CB 0.078 40.974 40.800 0.160 0.000 0.978 143 D HN 0.396 nan 8.370 nan 0.000 0.456 144 F N -1.437 118.585 119.950 0.120 0.000 2.685 144 F HA 0.740 5.268 4.527 0.000 0.000 0.315 144 F C -1.480 174.422 175.800 0.171 0.000 1.126 144 F CA -1.697 56.368 58.000 0.109 0.000 0.950 144 F CB 1.439 40.468 39.000 0.049 0.000 1.360 144 F HN -0.129 nan 8.300 nan 0.000 0.469 145 A N 1.618 124.661 122.820 0.372 0.000 2.414 145 A HA 0.818 5.138 4.320 -0.000 0.000 0.306 145 A C -1.785 176.021 177.584 0.369 0.000 1.054 145 A CA -0.881 51.335 52.037 0.298 0.000 0.724 145 A CB 1.536 20.660 19.000 0.206 0.000 1.267 145 A HN 0.846 nan 8.150 nan 0.000 0.418 146 L N 2.023 123.455 121.223 0.348 0.000 2.301 146 L HA 0.668 5.008 4.340 -0.000 0.000 0.278 146 L C 0.092 177.087 176.870 0.210 0.000 1.022 146 L CA -0.170 54.839 54.840 0.283 0.000 0.854 146 L CB 1.346 43.587 42.059 0.303 0.000 1.226 146 L HN 0.773 nan 8.230 nan 0.000 0.429 147 T N 1.535 116.206 114.554 0.194 0.000 2.889 147 T HA 0.683 5.033 4.350 -0.000 0.000 0.315 147 T C -0.793 174.008 174.700 0.169 0.000 1.291 147 T CA -0.287 61.916 62.100 0.173 0.000 1.028 147 T CB 1.647 70.634 68.868 0.199 0.000 1.235 147 T HN 0.550 nan 8.240 nan 0.000 0.491 148 A N 1.814 124.714 122.820 0.133 0.000 2.462 148 A HA 0.779 5.099 4.320 -0.000 0.000 0.243 148 A C 0.492 178.131 177.584 0.090 0.000 1.076 148 A CA 0.337 52.435 52.037 0.102 0.000 0.773 148 A CB -0.420 18.608 19.000 0.046 0.000 1.010 148 A HN 1.632 nan 8.150 nan 0.000 0.493 149 A N 1.621 124.468 122.820 0.045 0.000 2.599 149 A HA 0.666 4.985 4.320 -0.000 0.000 0.290 149 A C -1.029 176.434 177.584 -0.203 0.000 1.101 149 A CA -0.742 51.224 52.037 -0.117 0.000 0.674 149 A CB 0.765 19.540 19.000 -0.376 0.000 1.277 149 A HN 0.894 nan 8.150 nan 0.000 0.419 150 H N 1.319 120.400 119.070 0.017 0.000 2.519 150 H HA 0.253 4.809 4.556 -0.000 0.000 0.316 150 H C 0.835 176.147 175.328 -0.027 0.000 1.065 150 H CA -0.170 55.910 56.048 0.054 0.000 1.264 150 H CB 1.949 31.754 29.762 0.071 0.000 1.413 150 H HN 0.901 nan 8.280 nan 0.000 0.465 151 K N 2.332 122.787 120.400 0.092 0.000 2.052 151 K HA -0.258 4.062 4.320 -0.000 0.000 0.215 151 K C 0.830 177.410 176.600 -0.035 0.000 1.053 151 K CA 1.822 58.072 56.287 -0.061 0.000 0.934 151 K CB 0.081 32.633 32.500 0.087 0.000 0.717 151 K HN 0.575 nan 8.250 nan 0.000 0.450 152 H N -0.329 118.738 119.070 -0.006 0.000 2.546 152 H HA 0.006 4.562 4.556 -0.000 0.000 0.277 152 H C 0.952 176.286 175.328 0.009 0.000 1.004 152 H CA 1.074 57.121 56.048 -0.001 0.000 1.231 152 H CB 0.196 29.965 29.762 0.011 0.000 1.382 152 H HN 0.292 nan 8.280 nan 0.000 0.580 153 D N -0.212 120.270 120.400 0.137 0.000 2.360 153 D HA 0.087 4.727 4.640 -0.000 0.000 0.210 153 D C 0.261 176.633 176.300 0.121 0.000 1.047 153 D CA 0.078 54.160 54.000 0.137 0.000 0.854 153 D CB 0.375 41.295 40.800 0.200 0.000 0.936 153 D HN 0.298 nan 8.370 nan 0.000 0.514 154 I N 1.553 122.108 120.570 -0.025 0.000 2.496 154 I HA -0.029 4.141 4.170 -0.000 0.000 0.285 154 I C 0.869 177.006 176.117 0.033 0.000 1.080 154 I CA -0.546 60.690 61.300 -0.107 0.000 1.404 154 I CB 0.530 38.324 38.000 -0.342 0.000 1.403 154 I HN -0.198 nan 8.210 nan 0.000 0.539 155 D N 4.778 125.269 120.400 0.151 0.000 2.629 155 D HA -0.098 4.541 4.640 -0.000 0.000 0.228 155 D C 1.180 177.527 176.300 0.079 0.000 1.127 155 D CA 0.478 54.553 54.000 0.124 0.000 0.855 155 D CB 1.027 41.922 40.800 0.157 0.000 1.180 155 D HN 0.597 nan 8.370 nan 0.000 0.484 156 T N 2.546 117.146 114.554 0.077 0.000 2.849 156 T HA -0.155 4.195 4.350 -0.000 0.000 0.270 156 T C 1.101 175.919 174.700 0.197 0.000 1.066 156 T CA 0.912 63.070 62.100 0.097 0.000 1.130 156 T CB -0.017 68.898 68.868 0.078 0.000 0.864 156 T HN 0.442 nan 8.240 nan 0.000 0.481 157 D N 0.746 121.218 120.400 0.120 0.000 2.309 157 D HA 0.046 4.686 4.640 -0.000 0.000 0.212 157 D C 0.476 176.723 176.300 -0.087 0.000 0.968 157 D CA 0.597 54.587 54.000 -0.018 0.000 0.882 157 D CB -0.057 40.716 40.800 -0.046 0.000 0.918 157 D HN 0.387 nan 8.370 nan 0.000 0.503 158 L N 0.806 122.082 121.223 0.089 0.000 2.325 158 L HA 0.321 4.661 4.340 -0.000 0.000 0.278 158 L C 0.482 177.430 176.870 0.131 0.000 1.023 158 L CA -0.770 54.114 54.840 0.075 0.000 0.811 158 L CB 2.164 44.251 42.059 0.047 0.000 1.249 158 L HN -0.200 nan 8.230 nan 0.000 0.431 159 E N 1.992 122.265 120.200 0.120 0.000 2.331 159 E HA 0.568 4.918 4.350 -0.000 0.000 0.272 159 E C -1.035 175.577 176.600 0.019 0.000 1.036 159 E CA -0.539 55.909 56.400 0.081 0.000 0.864 159 E CB 1.462 31.222 29.700 0.099 0.000 1.035 159 E HN 0.675 nan 8.360 nan 0.000 0.408 160 A N 4.849 127.659 122.820 -0.017 0.000 2.357 160 A HA 0.240 4.560 4.320 -0.000 0.000 0.295 160 A C -1.156 176.511 177.584 0.138 0.000 1.121 160 A CA -0.699 51.326 52.037 -0.020 0.000 0.742 160 A CB 1.372 20.172 19.000 -0.333 0.000 1.181 160 A HN 0.653 nan 8.150 nan 0.000 0.454 161 Q N 3.963 123.895 119.800 0.219 0.000 2.341 161 Q HA 0.491 4.831 4.340 -0.000 0.000 0.268 161 Q C -2.799 173.294 176.000 0.156 0.000 1.013 161 Q CA -2.020 53.883 55.803 0.167 0.000 0.798 161 Q CB 1.978 30.747 28.738 0.052 0.000 1.253 161 Q HN 0.386 nan 8.270 nan 0.000 0.457 162 P HA -0.058 nan 4.420 nan 0.000 0.265 162 P C -0.376 176.833 177.300 -0.151 0.000 1.193 162 P CA -0.016 62.911 63.100 -0.289 0.000 0.765 162 P CB 0.736 32.284 31.700 -0.253 0.000 0.823 163 L N 3.790 124.916 121.223 -0.162 0.000 2.586 163 L HA 0.458 4.798 4.340 -0.000 0.000 0.204 163 L C -0.543 176.371 176.870 0.073 0.000 1.053 163 L CA 0.908 55.732 54.840 -0.027 0.000 0.856 163 L CB 0.032 42.098 42.059 0.013 0.000 1.192 163 L HN 0.283 nan 8.230 nan 0.000 0.484 164 Y N -0.627 119.589 120.300 -0.140 0.000 2.482 164 Y HA 0.557 5.107 4.550 -0.000 0.000 0.334 164 Y C -1.463 174.363 175.900 -0.123 0.000 1.091 164 Y CA -1.518 56.523 58.100 -0.099 0.000 1.027 164 Y CB 1.556 39.983 38.460 -0.056 0.000 1.306 164 Y HN -0.284 nan 8.280 nan 0.000 0.446 165 V N 6.101 125.628 119.914 -0.646 0.000 2.348 165 V HA 0.384 4.503 4.120 -0.000 0.000 0.270 165 V C 0.069 175.676 176.094 -0.811 0.000 1.037 165 V CA -0.169 61.805 62.300 -0.544 0.000 0.872 165 V CB 0.559 32.173 31.823 -0.348 0.000 1.002 165 V HN 0.799 nan 8.190 nan 0.000 0.464 166 S N 3.576 119.010 115.700 -0.444 0.000 2.693 166 S HA 0.582 5.052 4.470 -0.000 0.000 0.276 166 S C -0.678 173.849 174.600 -0.122 0.000 1.192 166 S CA -0.826 57.236 58.200 -0.229 0.000 0.994 166 S CB 1.726 64.945 63.200 0.032 0.000 1.012 166 S HN 0.595 nan 8.310 nan 0.000 0.550 167 D N 0.041 120.429 120.400 -0.020 0.000 2.350 167 D HA 0.590 5.230 4.640 -0.000 0.000 0.245 167 D C -0.964 175.352 176.300 0.027 0.000 1.036 167 D CA -0.406 53.594 54.000 0.000 0.000 0.848 167 D CB 1.882 42.698 40.800 0.026 0.000 1.307 167 D HN 0.391 nan 8.370 nan 0.000 0.469 168 V N 1.817 121.746 119.914 0.025 0.000 2.435 168 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 168 V C 0.052 176.164 176.094 0.029 0.000 1.030 168 V CA -0.723 61.600 62.300 0.039 0.000 0.881 168 V CB 1.594 33.444 31.823 0.046 0.000 0.983 168 V HN 0.430 nan 8.190 nan 0.000 0.445 169 V N 3.154 123.082 119.914 0.024 0.000 2.823 169 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 169 V C -0.504 175.588 176.094 -0.003 0.000 1.072 169 V CA -0.886 61.395 62.300 -0.031 0.000 0.937 169 V CB 1.948 33.686 31.823 -0.142 0.000 1.013 169 V HN 0.647 nan 8.190 nan 0.000 0.430 170 I N 3.345 123.912 120.570 -0.006 0.000 2.365 170 I HA 0.574 4.744 4.170 -0.000 0.000 0.291 170 I C -0.473 175.604 176.117 -0.067 0.000 1.004 170 I CA -0.408 60.928 61.300 0.061 0.000 1.311 170 I CB 1.695 39.778 38.000 0.138 0.000 1.401 170 I HN 0.492 nan 8.210 nan 0.000 0.491 171 V N 5.004 124.893 119.914 -0.041 0.000 2.789 171 V HA 0.849 4.969 4.120 -0.000 0.000 0.311 171 V C 0.224 176.257 176.094 -0.101 0.000 1.073 171 V CA -0.466 61.781 62.300 -0.089 0.000 0.921 171 V CB 1.791 33.613 31.823 -0.002 0.000 1.009 171 V HN 0.918 nan 8.190 nan 0.000 0.426 172 G N 2.238 110.972 108.800 -0.109 0.000 2.766 172 G HA2 0.615 4.575 3.960 -0.000 0.000 0.288 172 G HA3 0.615 4.575 3.960 -0.000 0.000 0.288 172 G C -0.981 173.925 174.900 0.010 0.000 1.408 172 G CA -0.763 44.265 45.100 -0.120 0.000 0.852 172 G HN 0.805 nan 8.290 nan 0.000 0.487 173 Q N -0.417 119.416 119.800 0.056 0.000 2.474 173 Q HA 0.243 4.582 4.340 -0.000 0.000 0.256 173 Q C 1.510 177.556 176.000 0.075 0.000 1.048 173 Q CA -0.007 55.827 55.803 0.052 0.000 0.922 173 Q CB 1.151 29.904 28.738 0.025 0.000 1.288 173 Q HN 0.644 nan 8.270 nan 0.000 0.484 174 R N 0.526 121.060 120.500 0.057 0.000 2.117 174 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 174 R C 0.808 177.143 176.300 0.057 0.000 1.143 174 R CA 1.791 57.928 56.100 0.062 0.000 0.968 174 R CB 0.173 30.501 30.300 0.047 0.000 0.863 174 R HN 0.749 nan 8.270 nan 0.000 0.444 175 Q N -0.078 119.748 119.800 0.044 0.000 2.222 175 Q HA 0.020 4.360 4.340 -0.000 0.000 0.206 175 Q C -0.485 175.532 176.000 0.029 0.000 0.877 175 Q CA -0.036 55.784 55.803 0.028 0.000 0.958 175 Q CB 0.219 28.959 28.738 0.002 0.000 1.075 175 Q HN 0.392 nan 8.270 nan 0.000 0.483 176 H N 2.265 121.320 119.070 -0.025 0.000 3.001 176 H HA -0.020 4.536 4.556 -0.000 0.000 0.334 176 H C -1.491 173.816 175.328 -0.035 0.000 1.034 176 H CA -0.820 55.203 56.048 -0.041 0.000 1.420 176 H CB 1.196 30.924 29.762 -0.058 0.000 1.405 176 H HN -0.081 nan 8.280 nan 0.000 0.593 177 P HA -0.121 nan 4.420 nan 0.000 0.219 177 P C 1.028 178.371 177.300 0.073 0.000 1.146 177 P CA 1.117 64.171 63.100 -0.078 0.000 0.808 177 P CB 0.283 31.883 31.700 -0.166 0.000 0.779 178 M N -1.881 117.894 119.600 0.292 0.000 2.493 178 M HA 0.271 4.751 4.480 -0.000 0.000 0.244 178 M C 1.526 177.886 176.300 0.099 0.000 1.182 178 M CA -0.633 54.777 55.300 0.184 0.000 0.981 178 M CB -1.258 31.445 32.600 0.170 0.000 1.551 178 M HN -0.139 nan 8.290 nan 0.000 0.476 179 A N 1.172 124.057 122.820 0.107 0.000 2.024 179 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 179 A C 1.748 179.345 177.584 0.022 0.000 1.164 179 A CA 1.500 53.565 52.037 0.047 0.000 0.643 179 A CB -0.411 18.625 19.000 0.061 0.000 0.806 179 A HN 0.495 nan 8.150 nan 0.000 0.451 180 N N -0.109 118.607 118.700 0.026 0.000 2.270 180 N HA 0.257 4.997 4.740 -0.000 0.000 0.198 180 N C 0.447 175.962 175.510 0.008 0.000 1.117 180 N CA 0.656 53.715 53.050 0.015 0.000 0.845 180 N CB -0.058 38.438 38.487 0.016 0.000 0.980 180 N HN 0.456 nan 8.380 nan 0.000 0.486 181 A N 0.587 123.412 122.820 0.008 0.000 2.520 181 A HA 0.188 4.508 4.320 -0.000 0.000 0.235 181 A C 1.429 179.006 177.584 -0.011 0.000 1.065 181 A CA 0.516 52.554 52.037 0.001 0.000 0.764 181 A CB 0.226 19.229 19.000 0.005 0.000 1.002 181 A HN 0.353 nan 8.150 nan 0.000 0.502 182 T N -0.927 113.616 114.554 -0.018 0.000 2.978 182 T HA 0.260 4.610 4.350 -0.000 0.000 0.248 182 T C 0.666 175.336 174.700 -0.050 0.000 1.018 182 T CA -0.072 62.013 62.100 -0.026 0.000 1.026 182 T CB 0.180 69.037 68.868 -0.018 0.000 1.032 182 T HN 0.568 nan 8.240 nan 0.000 0.485 183 R N 0.528 120.991 120.500 -0.061 0.000 2.740 183 R HA 0.538 4.878 4.340 -0.000 0.000 0.282 183 R C 0.466 176.682 176.300 -0.140 0.000 0.969 183 R CA -0.962 55.071 56.100 -0.112 0.000 0.918 183 R CB 1.722 31.966 30.300 -0.092 0.000 1.175 183 R HN 0.052 nan 8.270 nan 0.000 0.464 184 L N 2.763 123.830 121.223 -0.260 0.000 2.079 184 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 184 L C 2.004 178.714 176.870 -0.266 0.000 1.081 184 L CA 2.335 57.011 54.840 -0.273 0.000 0.752 184 L CB -0.558 41.195 42.059 -0.511 0.000 0.896 184 L HN 0.895 nan 8.230 nan 0.000 0.433 185 A N -0.883 121.784 122.820 -0.254 0.000 1.986 185 A HA -0.261 4.058 4.320 -0.000 0.000 0.220 185 A C 2.095 179.624 177.584 -0.091 0.000 1.171 185 A CA 1.901 53.823 52.037 -0.192 0.000 0.640 185 A CB -0.645 18.283 19.000 -0.119 0.000 0.811 185 A HN 0.647 nan 8.150 nan 0.000 0.451 186 E N -0.463 119.705 120.200 -0.053 0.000 2.338 186 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 186 E C 1.069 177.701 176.600 0.052 0.000 1.007 186 E CA 0.647 57.047 56.400 0.000 0.000 0.849 186 E CB -0.171 29.528 29.700 -0.001 0.000 0.774 186 E HN 0.672 nan 8.360 nan 0.000 0.506 187 L N 0.951 122.230 121.223 0.093 0.000 2.640 187 L HA 0.052 4.392 4.340 -0.000 0.000 0.230 187 L C 2.302 179.417 176.870 0.407 0.000 1.123 187 L CA -0.052 54.932 54.840 0.239 0.000 0.900 187 L CB -0.139 42.148 42.059 0.379 0.000 1.146 187 L HN 0.120 nan 8.230 nan 0.000 0.484 188 Q N 0.287 120.232 119.800 0.242 0.000 2.364 188 Q HA -0.159 4.181 4.340 -0.000 0.000 0.209 188 Q C 0.890 177.155 176.000 0.442 0.000 0.977 188 Q CA 1.162 57.181 55.803 0.360 0.000 0.885 188 Q CB 0.070 28.847 28.738 0.064 0.000 0.941 188 Q HN 0.425 nan 8.270 nan 0.000 0.464 189 E N 0.133 120.502 120.200 0.283 0.000 2.481 189 E HA 0.125 4.475 4.350 -0.000 0.000 0.198 189 E C 0.292 176.995 176.600 0.172 0.000 1.027 189 E CA -0.095 56.430 56.400 0.207 0.000 0.900 189 E CB 0.339 30.111 29.700 0.121 0.000 0.993 189 E HN 0.292 nan 8.360 nan 0.000 0.482 190 C N 1.753 121.162 119.300 0.182 0.000 2.705 190 C HA 0.208 4.668 4.460 -0.000 0.000 0.382 190 C C 1.097 176.039 174.990 -0.080 0.000 1.322 190 C CA -0.356 58.652 59.018 -0.016 0.000 2.290 190 C CB 0.066 27.674 27.740 -0.220 0.000 2.650 190 C HN 0.174 nan 8.230 nan 0.000 0.695 191 R N 0.205 120.591 120.500 -0.189 0.000 2.428 191 R HA 0.366 4.706 4.340 -0.000 0.000 0.294 191 R C -1.495 174.601 176.300 -0.340 0.000 1.000 191 R CA -0.110 55.908 56.100 -0.137 0.000 0.960 191 R CB 1.061 31.318 30.300 -0.072 0.000 1.076 191 R HN 0.684 nan 8.270 nan 0.000 0.475 192 W N 0.387 121.655 121.300 -0.053 0.000 2.632 192 W HA 0.469 5.129 4.660 -0.000 0.000 0.328 192 W C -0.261 176.227 176.519 -0.051 0.000 1.044 192 W CA -0.650 56.693 57.345 -0.004 0.000 1.225 192 W CB 1.688 31.224 29.460 0.126 0.000 1.396 192 W HN 0.576 nan 8.180 nan 0.000 0.499 193 A N 3.803 126.760 122.820 0.229 0.000 2.343 193 A HA 0.436 4.756 4.320 -0.000 0.000 0.305 193 A C -0.952 176.837 177.584 0.343 0.000 1.308 193 A CA -0.442 51.695 52.037 0.167 0.000 0.949 193 A CB -0.438 18.615 19.000 0.089 0.000 1.148 193 A HN 0.431 nan 8.150 nan 0.000 0.545 194 F N 2.797 122.785 119.950 0.063 0.000 2.502 194 F HA 0.214 4.741 4.527 -0.000 0.000 0.371 194 F C 1.353 177.131 175.800 -0.036 0.000 1.083 194 F CA -0.354 57.654 58.000 0.013 0.000 1.174 194 F CB 0.408 39.397 39.000 -0.019 0.000 1.096 194 F HN 0.623 nan 8.300 nan 0.000 0.545 195 S N 1.655 117.418 115.700 0.106 0.000 2.713 195 S HA 0.585 5.055 4.470 -0.000 0.000 0.283 195 S C 0.008 174.562 174.600 -0.076 0.000 1.161 195 S CA -0.984 57.171 58.200 -0.074 0.000 0.999 195 S CB 1.312 64.493 63.200 -0.033 0.000 1.039 195 S HN 0.385 nan 8.310 nan 0.000 0.548 196 S N 0.664 116.235 115.700 -0.215 0.000 2.576 196 S HA 0.668 5.138 4.470 -0.000 0.000 0.276 196 S C 0.040 174.744 174.600 0.172 0.000 1.339 196 S CA -0.125 58.065 58.200 -0.016 0.000 1.039 196 S CB 0.480 63.668 63.200 -0.020 0.000 0.902 196 S HN 1.208 nan 8.310 nan 0.000 0.516 197 A N 3.409 126.305 122.820 0.126 0.000 2.604 197 A HA 0.686 5.006 4.320 -0.000 0.000 0.295 197 A C -2.573 175.092 177.584 0.135 0.000 1.067 197 A CA -1.330 50.794 52.037 0.144 0.000 0.683 197 A CB 0.385 19.445 19.000 0.100 0.000 1.281 197 A HN 0.485 nan 8.150 nan 0.000 0.407 198 P HA -0.156 nan 4.420 nan 0.000 0.217 198 P C 1.021 178.427 177.300 0.176 0.000 1.151 198 P CA 1.435 64.665 63.100 0.216 0.000 0.849 198 P CB 0.147 32.019 31.700 0.288 0.000 0.787 199 R N -1.335 119.260 120.500 0.158 0.000 2.320 199 R HA 0.381 4.721 4.340 -0.000 0.000 0.211 199 R C 0.685 176.996 176.300 0.019 0.000 0.931 199 R CA 0.352 56.497 56.100 0.075 0.000 1.071 199 R CB -0.023 30.296 30.300 0.033 0.000 1.025 199 R HN 0.215 nan 8.270 nan 0.000 0.495 200 G N 1.023 109.835 108.800 0.021 0.000 2.440 200 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.684 200 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.684 200 G C -3.003 171.879 174.900 -0.030 0.000 1.309 200 G CA -1.420 43.678 45.100 -0.003 0.000 0.931 200 G HN -0.166 nan 8.290 nan 0.000 0.612 201 P HA 0.371 nan 4.420 nan 0.000 0.264 201 P C 1.151 178.336 177.300 -0.193 0.000 1.193 201 P CA 1.966 65.056 63.100 -0.016 0.000 0.763 201 P CB 0.765 32.518 31.700 0.089 0.000 0.810 202 G N 2.818 111.422 108.800 -0.328 0.000 2.168 202 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 202 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 202 G C 1.177 175.668 174.900 -0.682 0.000 0.977 202 G CA 0.469 45.032 45.100 -0.896 0.000 0.659 202 G HN 0.683 nan 8.290 nan 0.000 0.533 203 A N -0.070 122.546 122.820 -0.340 0.000 1.940 203 A HA 0.143 4.463 4.320 -0.000 0.000 0.219 203 A C 2.371 179.841 177.584 -0.190 0.000 1.176 203 A CA 1.853 53.754 52.037 -0.227 0.000 0.631 203 A CB -0.304 18.643 19.000 -0.087 0.000 0.814 203 A HN 0.791 nan 8.150 nan 0.000 0.446 204 I N -1.139 119.343 120.570 -0.147 0.000 2.179 204 I HA -0.218 3.951 4.170 -0.000 0.000 0.242 204 I C 2.333 178.355 176.117 -0.158 0.000 1.088 204 I CA 1.388 62.635 61.300 -0.088 0.000 1.357 204 I CB -0.240 37.747 38.000 -0.021 0.000 1.051 204 I HN 0.349 nan 8.210 nan 0.000 0.409 205 I N 0.777 121.158 120.570 -0.315 0.000 2.439 205 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 205 I C 2.555 178.399 176.117 -0.455 0.000 1.139 205 I CA 1.422 62.446 61.300 -0.460 0.000 1.438 205 I CB -0.409 37.056 38.000 -0.893 0.000 1.085 205 I HN 0.034 nan 8.210 nan 0.000 0.427 206 R N 0.178 120.392 120.500 -0.476 0.000 2.075 206 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 206 R C 1.944 178.175 176.300 -0.115 0.000 1.126 206 R CA 1.495 57.395 56.100 -0.332 0.000 0.963 206 R CB -0.503 29.589 30.300 -0.348 0.000 0.858 206 R HN 0.402 nan 8.270 nan 0.000 0.435 207 N N 0.680 119.317 118.700 -0.105 0.000 2.244 207 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 207 N C 1.599 177.131 175.510 0.037 0.000 1.016 207 N CA 1.270 54.299 53.050 -0.035 0.000 0.866 207 N CB -0.159 38.296 38.487 -0.052 0.000 0.980 207 N HN 0.209 nan 8.380 nan 0.000 0.430 208 A N 0.700 123.565 122.820 0.075 0.000 1.873 208 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 208 A C 1.965 179.741 177.584 0.319 0.000 1.186 208 A CA 0.827 52.988 52.037 0.207 0.000 0.616 208 A CB -0.824 18.288 19.000 0.187 0.000 0.823 208 A HN 0.094 nan 8.150 nan 0.000 0.442 209 F N 0.425 120.367 119.950 -0.013 0.000 2.095 209 F HA -0.183 4.344 4.527 0.000 0.000 0.298 209 F C 2.836 178.661 175.800 0.042 0.000 1.104 209 F CA 0.844 58.850 58.000 0.011 0.000 1.232 209 F CB -0.866 38.096 39.000 -0.064 0.000 0.987 209 F HN 0.268 nan 8.300 nan 0.000 0.475 210 A N -0.118 122.815 122.820 0.188 0.000 1.877 210 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 210 A C 2.355 179.960 177.584 0.035 0.000 1.186 210 A CA 1.737 53.825 52.037 0.086 0.000 0.620 210 A CB -0.686 18.336 19.000 0.037 0.000 0.822 210 A HN 0.333 nan 8.150 nan 0.000 0.443 211 R N -2.187 118.317 120.500 0.008 0.000 2.148 211 R HA -0.095 4.245 4.340 -0.000 0.000 0.227 211 R C 1.052 177.235 176.300 -0.195 0.000 1.103 211 R CA 1.329 57.361 56.100 -0.113 0.000 0.983 211 R CB -0.297 29.895 30.300 -0.181 0.000 0.874 211 R HN 0.659 nan 8.270 nan 0.000 0.451 212 Y N -0.230 120.046 120.300 -0.040 0.000 2.462 212 Y HA 0.159 4.709 4.550 -0.000 0.000 0.293 212 Y C 1.408 177.264 175.900 -0.073 0.000 1.195 212 Y CA 0.534 58.593 58.100 -0.067 0.000 1.276 212 Y CB 0.527 38.922 38.460 -0.107 0.000 1.082 212 Y HN 0.257 nan 8.280 nan 0.000 0.514 213 G N 0.371 109.195 108.800 0.039 0.000 2.143 213 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 213 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 213 G C -0.034 174.877 174.900 0.020 0.000 0.991 213 G CA 0.161 45.273 45.100 0.020 0.000 0.689 213 G HN 0.291 nan 8.290 nan 0.000 0.522 214 L N 0.188 121.420 121.223 0.015 0.000 2.387 214 L HA 0.575 4.915 4.340 -0.000 0.000 0.266 214 L C -1.238 175.700 176.870 0.113 0.000 1.059 214 L CA -2.470 52.370 54.840 -0.001 0.000 0.801 214 L CB 0.562 42.482 42.059 -0.232 0.000 1.223 214 L HN -0.090 nan 8.230 nan 0.000 0.456 215 P HA 0.052 nan 4.420 nan 0.000 0.275 215 P C -0.714 176.747 177.300 0.269 0.000 1.270 215 P CA -0.548 62.657 63.100 0.175 0.000 0.791 215 P CB 0.303 32.095 31.700 0.153 0.000 1.089 216 E N 1.072 121.375 120.200 0.171 0.000 2.442 216 E HA 0.043 4.393 4.350 -0.000 0.000 0.262 216 E C -1.821 174.838 176.600 0.099 0.000 1.004 216 E CA -0.927 55.542 56.400 0.115 0.000 0.928 216 E CB -0.600 29.147 29.700 0.078 0.000 0.937 216 E HN 0.346 nan 8.360 nan 0.000 0.446 217 P HA 0.038 nan 4.420 nan 0.000 0.272 217 P C -0.576 176.737 177.300 0.022 0.000 1.223 217 P CA 0.001 62.841 63.100 -0.434 0.000 0.784 217 P CB 0.643 31.586 31.700 -1.261 0.000 0.923 218 K N 1.717 122.229 120.400 0.187 0.000 2.297 218 K HA 0.250 4.570 4.320 -0.000 0.000 0.286 218 K C 0.005 176.639 176.600 0.057 0.000 1.053 218 K CA -0.823 55.544 56.287 0.135 0.000 0.940 218 K CB 0.359 32.946 32.500 0.146 0.000 1.019 218 K HN 0.335 nan 8.250 nan 0.000 0.475 219 L N 3.364 124.489 121.223 -0.163 0.000 2.315 219 L HA 0.173 4.513 4.340 -0.000 0.000 0.283 219 L C 0.933 177.643 176.870 -0.266 0.000 1.089 219 L CA 0.676 55.223 54.840 -0.487 0.000 0.833 219 L CB 0.796 42.482 42.059 -0.622 0.000 1.170 219 L HN 0.809 nan 8.230 nan 0.000 0.442 220 G N 5.491 114.155 108.800 -0.227 0.000 2.524 220 G HA2 0.300 4.260 3.960 -0.000 0.000 0.210 220 G HA3 0.300 4.260 3.960 -0.000 0.000 0.210 220 G C -0.091 174.724 174.900 -0.142 0.000 1.187 220 G CA 0.846 45.867 45.100 -0.132 0.000 0.825 220 G HN 0.657 nan 8.290 nan 0.000 0.558 221 L N -3.030 118.096 121.223 -0.162 0.000 2.765 221 L HA 0.775 5.115 4.340 -0.000 0.000 0.263 221 L C -1.255 175.542 176.870 -0.122 0.000 1.068 221 L CA -1.369 53.392 54.840 -0.131 0.000 0.903 221 L CB 1.758 43.774 42.059 -0.072 0.000 1.512 221 L HN -0.154 nan 8.230 nan 0.000 0.404 222 V N 0.520 120.394 119.914 -0.067 0.000 2.370 222 V HA 0.493 4.612 4.120 -0.000 0.000 0.283 222 V C -0.556 175.532 176.094 -0.010 0.000 1.023 222 V CA -0.261 62.043 62.300 0.007 0.000 0.857 222 V CB 1.238 33.077 31.823 0.027 0.000 0.985 222 V HN 0.926 nan 8.190 nan 0.000 0.443 223 C N 5.014 124.306 119.300 -0.014 0.000 2.362 223 C HA 0.439 4.899 4.460 -0.000 0.000 0.309 223 C C 1.291 176.190 174.990 -0.152 0.000 1.110 223 C CA -0.422 58.555 59.018 -0.069 0.000 1.485 223 C CB -0.256 27.445 27.740 -0.065 0.000 1.949 223 C HN 1.042 nan 8.230 nan 0.000 0.419 224 E N 1.665 121.786 120.200 -0.131 0.000 2.358 224 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 224 E C 0.891 177.346 176.600 -0.242 0.000 1.010 224 E CA 0.314 56.607 56.400 -0.180 0.000 0.856 224 E CB 0.288 29.938 29.700 -0.083 0.000 0.795 224 E HN 0.632 nan 8.360 nan 0.000 0.504 225 S N 0.005 115.601 115.700 -0.173 0.000 2.422 225 S HA 0.092 4.562 4.470 -0.000 0.000 0.283 225 S C 0.401 174.925 174.600 -0.125 0.000 1.163 225 S CA -0.544 57.596 58.200 -0.100 0.000 1.054 225 S CB 0.083 63.265 63.200 -0.030 0.000 0.967 225 S HN 0.050 nan 8.310 nan 0.000 0.499 226 F N 3.925 123.903 119.950 0.047 0.000 2.407 226 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 226 F C 1.734 177.569 175.800 0.058 0.000 1.097 226 F CA 0.332 58.366 58.000 0.056 0.000 1.422 226 F CB -0.318 38.718 39.000 0.060 0.000 1.067 226 F HN 0.583 nan 8.300 nan 0.000 0.539 227 L N 0.372 121.718 121.223 0.204 0.000 2.046 227 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 227 L C 2.306 179.252 176.870 0.127 0.000 1.077 227 L CA 2.089 57.020 54.840 0.151 0.000 0.747 227 L CB -0.980 41.144 42.059 0.108 0.000 0.896 227 L HN 0.029 nan 8.230 nan 0.000 0.432 228 A N -1.205 121.660 122.820 0.076 0.000 2.021 228 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 228 A C 2.135 179.719 177.584 0.000 0.000 1.163 228 A CA 1.122 53.178 52.037 0.031 0.000 0.676 228 A CB -0.761 18.240 19.000 0.001 0.000 0.818 228 A HN 0.452 nan 8.150 nan 0.000 0.453 229 L N 0.700 121.942 121.223 0.032 0.000 1.989 229 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 229 L C -0.751 176.124 176.870 0.008 0.000 1.071 229 L CA 2.534 57.389 54.840 0.025 0.000 0.749 229 L CB -1.173 40.931 42.059 0.075 0.000 0.890 229 L HN 0.161 nan 8.230 nan 0.000 0.431 230 P HA -0.111 nan 4.420 nan 0.000 0.215 230 P C 1.617 178.741 177.300 -0.294 0.000 1.157 230 P CA 1.860 64.970 63.100 0.017 0.000 0.868 230 P CB -0.426 31.376 31.700 0.170 0.000 0.788 231 G N -0.373 108.025 108.800 -0.670 0.000 2.418 231 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G C 1.646 176.256 174.900 -0.485 0.000 1.158 231 G CA 0.704 44.971 45.100 -1.388 0.000 0.771 231 G HN 0.143 nan 8.290 nan 0.000 0.545 232 V N 0.577 120.345 119.914 -0.243 0.000 2.287 232 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 232 V C 3.045 179.095 176.094 -0.073 0.000 1.053 232 V CA 1.664 63.903 62.300 -0.102 0.000 1.027 232 V CB -0.493 31.291 31.823 -0.066 0.000 0.646 232 V HN 0.255 nan 8.190 nan 0.000 0.447 233 V N 0.235 120.098 119.914 -0.085 0.000 2.343 233 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 233 V C 2.685 178.731 176.094 -0.080 0.000 1.051 233 V CA 1.875 64.142 62.300 -0.055 0.000 1.036 233 V CB -1.135 30.676 31.823 -0.020 0.000 0.654 233 V HN 0.564 nan 8.190 nan 0.000 0.451 234 A N -1.268 121.451 122.820 -0.168 0.000 2.019 234 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 234 A C 1.821 179.195 177.584 -0.350 0.000 1.164 234 A CA 1.497 53.394 52.037 -0.234 0.000 0.644 234 A CB -0.558 18.267 19.000 -0.291 0.000 0.805 234 A HN 0.702 nan 8.150 nan 0.000 0.449 235 H N -0.678 118.343 119.070 -0.082 0.000 2.487 235 H HA 0.269 4.825 4.556 0.000 0.000 0.290 235 H C 0.254 175.560 175.328 -0.036 0.000 1.081 235 H CA 0.654 56.677 56.048 -0.042 0.000 1.116 235 H CB -0.001 29.731 29.762 -0.050 0.000 1.560 235 H HN 0.633 nan 8.280 nan 0.000 0.548 236 S N -0.953 114.760 115.700 0.022 0.000 2.794 236 S HA 0.240 4.710 4.470 -0.000 0.000 0.299 236 S C -0.039 174.564 174.600 0.005 0.000 1.179 236 S CA -0.836 57.370 58.200 0.010 0.000 0.838 236 S CB 2.257 65.456 63.200 -0.001 0.000 1.206 236 S HN -0.052 nan 8.310 nan 0.000 0.523 237 D N 0.458 120.856 120.400 -0.004 0.000 2.368 237 D HA 0.350 4.990 4.640 -0.000 0.000 0.218 237 D C -0.024 176.323 176.300 0.078 0.000 1.112 237 D CA 0.026 54.038 54.000 0.019 0.000 0.834 237 D CB -0.020 40.723 40.800 -0.095 0.000 0.953 237 D HN 0.392 nan 8.370 nan 0.000 0.505 238 L N 0.938 122.156 121.223 -0.008 0.000 2.439 238 L HA 0.219 4.559 4.340 -0.000 0.000 0.269 238 L C 0.608 177.365 176.870 -0.189 0.000 1.179 238 L CA -0.182 54.599 54.840 -0.099 0.000 0.828 238 L CB 0.925 42.944 42.059 -0.067 0.000 1.106 238 L HN -0.259 nan 8.230 nan 0.000 0.467 239 L N 1.556 122.510 121.223 -0.449 0.000 2.375 239 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 239 L C 0.195 176.975 176.870 -0.150 0.000 1.058 239 L CA -0.189 54.316 54.840 -0.559 0.000 0.803 239 L CB 1.787 43.098 42.059 -1.247 0.000 1.212 239 L HN 0.595 nan 8.230 nan 0.000 0.451 240 T N -0.483 114.129 114.554 0.096 0.000 2.812 240 T HA 0.558 4.908 4.350 -0.000 0.000 0.294 240 T C -0.905 174.022 174.700 0.379 0.000 1.159 240 T CA -0.380 61.931 62.100 0.353 0.000 1.008 240 T CB 1.903 70.898 68.868 0.211 0.000 1.289 240 T HN 0.764 nan 8.240 nan 0.000 0.514 241 T N 0.697 115.439 114.554 0.314 0.000 2.885 241 T HA 0.798 5.148 4.350 -0.000 0.000 0.285 241 T C -0.295 174.552 174.700 0.245 0.000 1.019 241 T CA -0.859 61.375 62.100 0.223 0.000 1.010 241 T CB 1.172 70.127 68.868 0.144 0.000 1.022 241 T HN 0.896 nan 8.240 nan 0.000 0.466 242 M N -0.143 119.577 119.600 0.201 0.000 2.578 242 M HA 0.650 5.130 4.480 -0.000 0.000 0.276 242 M C -3.300 173.059 176.300 0.098 0.000 1.245 242 M CA -2.321 53.112 55.300 0.221 0.000 0.871 242 M CB 1.702 34.462 32.600 0.266 0.000 1.722 242 M HN 0.216 nan 8.290 nan 0.000 0.473 243 P HA 0.126 nan 4.420 nan 0.000 0.266 243 P C -0.152 177.193 177.300 0.075 0.000 1.195 243 P CA -0.051 63.053 63.100 0.006 0.000 0.768 243 P CB 0.558 32.208 31.700 -0.083 0.000 0.838 244 R N 1.833 122.394 120.500 0.102 0.000 2.105 244 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 244 R C 1.420 177.823 176.300 0.172 0.000 1.135 244 R CA 2.018 58.215 56.100 0.162 0.000 0.967 244 R CB -0.740 29.644 30.300 0.140 0.000 0.861 244 R HN 0.423 nan 8.270 nan 0.000 0.442 245 T N 1.604 116.224 114.554 0.111 0.000 2.720 245 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 245 T C 1.613 176.344 174.700 0.052 0.000 1.037 245 T CA 1.384 63.523 62.100 0.065 0.000 1.144 245 T CB -0.231 68.650 68.868 0.022 0.000 0.864 245 T HN 0.177 nan 8.240 nan 0.000 0.444 246 L N 0.303 121.557 121.223 0.051 0.000 2.093 246 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 246 L C 2.127 179.076 176.870 0.132 0.000 1.085 246 L CA 1.567 56.446 54.840 0.065 0.000 0.755 246 L CB -0.890 41.188 42.059 0.031 0.000 0.904 246 L HN 0.292 nan 8.230 nan 0.000 0.435 247 Y N 0.754 121.084 120.300 0.050 0.000 2.165 247 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 247 Y C 2.309 178.241 175.900 0.054 0.000 1.155 247 Y CA 2.206 60.342 58.100 0.061 0.000 1.164 247 Y CB -0.204 38.291 38.460 0.058 0.000 0.978 247 Y HN 0.409 nan 8.280 nan 0.000 0.513 248 E N -0.144 120.002 120.200 -0.089 0.000 2.285 248 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 248 E C 0.369 176.899 176.600 -0.116 0.000 0.997 248 E CA 0.527 56.830 56.400 -0.162 0.000 0.845 248 E CB 0.086 29.770 29.700 -0.028 0.000 0.782 248 E HN 0.333 nan 8.360 nan 0.000 0.491 249 R N 1.350 121.818 120.500 -0.052 0.000 2.585 249 R HA 0.214 4.554 4.340 -0.000 0.000 0.278 249 R C -1.077 175.228 176.300 0.009 0.000 1.663 249 R CA -0.321 55.763 56.100 -0.026 0.000 1.592 249 R CB 0.370 30.662 30.300 -0.013 0.000 1.200 249 R HN 0.143 nan 8.270 nan 0.000 0.611 250 N N -1.590 117.117 118.700 0.011 0.000 2.732 250 N HA 0.335 5.075 4.740 -0.000 0.000 0.259 250 N C -0.120 175.424 175.510 0.057 0.000 1.402 250 N CA -0.915 52.183 53.050 0.080 0.000 0.829 250 N CB 1.188 39.765 38.487 0.150 0.000 1.495 250 N HN 0.018 nan 8.380 nan 0.000 0.511 251 A N -0.695 122.177 122.820 0.087 0.000 2.238 251 A HA 0.269 4.589 4.320 -0.000 0.000 0.208 251 A C -0.027 177.340 177.584 -0.360 0.000 1.177 251 A CA 0.313 52.261 52.037 -0.148 0.000 0.804 251 A CB -0.845 18.006 19.000 -0.248 0.000 0.823 251 A HN 0.560 nan 8.150 nan 0.000 0.482 252 F N -0.567 119.391 119.950 0.012 0.000 2.791 252 F HA 0.264 4.791 4.527 -0.000 0.000 0.308 252 F C 1.490 177.281 175.800 -0.016 0.000 1.138 252 F CA -0.398 57.608 58.000 0.010 0.000 1.294 252 F CB 0.423 39.441 39.000 0.030 0.000 0.975 252 F HN 0.032 nan 8.300 nan 0.000 0.512 253 K N 0.260 120.691 120.400 0.051 0.000 2.063 253 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 253 K C 1.110 177.708 176.600 -0.004 0.000 1.048 253 K CA 1.678 57.949 56.287 -0.028 0.000 0.928 253 K CB -0.106 32.333 32.500 -0.101 0.000 0.713 253 K HN 0.166 nan 8.250 nan 0.000 0.442 254 D N 0.806 121.207 120.400 0.001 0.000 2.309 254 D HA -0.132 4.508 4.640 -0.000 0.000 0.212 254 D C 1.097 177.420 176.300 0.037 0.000 0.968 254 D CA 1.184 55.190 54.000 0.010 0.000 0.882 254 D CB 0.080 40.878 40.800 -0.004 0.000 0.918 254 D HN 0.347 nan 8.370 nan 0.000 0.503 255 Q N -0.600 119.241 119.800 0.070 0.000 2.194 255 Q HA 0.310 4.650 4.340 -0.000 0.000 0.214 255 Q C -0.035 176.007 176.000 0.071 0.000 0.838 255 Q CA -0.008 55.832 55.803 0.062 0.000 0.972 255 Q CB 1.265 30.042 28.738 0.065 0.000 1.131 255 Q HN 0.153 nan 8.270 nan 0.000 0.498 256 L N -0.377 120.912 121.223 0.110 0.000 2.388 256 L HA 0.603 4.943 4.340 -0.000 0.000 0.264 256 L C -1.061 175.947 176.870 0.230 0.000 0.998 256 L CA -0.978 53.962 54.840 0.166 0.000 0.817 256 L CB 2.433 44.634 42.059 0.236 0.000 1.338 256 L HN -0.048 nan 8.230 nan 0.000 0.414 257 C N 0.757 120.184 119.300 0.212 0.000 2.535 257 C HA 0.506 4.966 4.460 -0.000 0.000 0.319 257 C C 0.320 175.329 174.990 0.032 0.000 1.171 257 C CA -0.931 58.205 59.018 0.198 0.000 1.394 257 C CB 1.849 29.653 27.740 0.107 0.000 1.990 257 C HN 0.893 nan 8.230 nan 0.000 0.466 258 S N 2.781 118.376 115.700 -0.175 0.000 2.593 258 S HA 0.642 5.112 4.470 -0.000 0.000 0.269 258 S C -0.570 173.929 174.600 -0.168 0.000 1.334 258 S CA -0.272 57.672 58.200 -0.426 0.000 1.015 258 S CB 0.372 63.095 63.200 -0.795 0.000 0.912 258 S HN 0.596 nan 8.310 nan 0.000 0.541 259 I N 2.664 123.148 120.570 -0.144 0.000 2.388 259 I HA 0.289 4.459 4.170 -0.000 0.000 0.281 259 I C -2.193 173.888 176.117 -0.060 0.000 1.046 259 I CA -2.213 59.041 61.300 -0.077 0.000 1.187 259 I CB 1.428 39.385 38.000 -0.072 0.000 1.351 259 I HN 0.510 nan 8.210 nan 0.000 0.472 260 P HA 0.201 nan 4.420 nan 0.000 0.252 260 P C -0.193 177.093 177.300 -0.023 0.000 1.727 260 P CA -0.109 62.971 63.100 -0.032 0.000 1.134 260 P CB 0.077 31.767 31.700 -0.018 0.000 1.876 261 L N 2.004 123.210 121.223 -0.028 0.000 2.461 261 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 261 L C 1.998 178.849 176.870 -0.031 0.000 1.197 261 L CA 0.036 54.853 54.840 -0.037 0.000 0.836 261 L CB 0.186 42.209 42.059 -0.059 0.000 1.105 261 L HN 0.262 nan 8.230 nan 0.000 0.477 262 Q N 0.235 120.016 119.800 -0.032 0.000 2.435 262 Q HA -0.036 4.304 4.340 -0.000 0.000 0.207 262 Q C -0.483 175.507 176.000 -0.016 0.000 0.956 262 Q CA 0.400 56.193 55.803 -0.017 0.000 0.917 262 Q CB 0.212 28.944 28.738 -0.010 0.000 0.997 262 Q HN 0.560 nan 8.270 nan 0.000 0.497 263 D N 0.808 121.166 120.400 -0.070 0.000 2.317 263 D HA 0.239 4.879 4.640 -0.000 0.000 0.252 263 D C -0.551 175.742 176.300 -0.012 0.000 1.174 263 D CA 0.047 53.990 54.000 -0.096 0.000 0.866 263 D CB 1.105 41.615 40.800 -0.484 0.000 1.127 263 D HN 0.116 nan 8.370 nan 0.000 0.467 264 A N 3.345 126.245 122.820 0.133 0.000 2.425 264 A HA 0.422 4.742 4.320 -0.000 0.000 0.249 264 A C 0.184 177.860 177.584 0.153 0.000 1.084 264 A CA -0.254 51.853 52.037 0.116 0.000 0.781 264 A CB 0.289 19.353 19.000 0.106 0.000 1.019 264 A HN 0.593 nan 8.150 nan 0.000 0.490 265 L N 2.100 123.377 121.223 0.090 0.000 2.332 265 L HA 0.467 4.806 4.340 -0.000 0.000 0.269 265 L C -2.023 174.888 176.870 0.068 0.000 1.016 265 L CA -2.104 52.791 54.840 0.092 0.000 0.809 265 L CB 0.923 43.018 42.059 0.060 0.000 1.280 265 L HN 0.472 nan 8.230 nan 0.000 0.447 266 P HA 0.169 nan 4.420 nan 0.000 0.272 266 P C -1.360 175.953 177.300 0.023 0.000 1.240 266 P CA -0.362 62.766 63.100 0.047 0.000 0.791 266 P CB 0.354 32.093 31.700 0.065 0.000 0.978 267 N N 0.880 119.581 118.700 0.003 0.000 2.706 267 N HA 0.315 5.055 4.740 -0.000 0.000 0.240 267 N C -2.625 172.858 175.510 -0.045 0.000 1.039 267 N CA -1.254 51.775 53.050 -0.034 0.000 0.888 267 N CB 0.256 38.705 38.487 -0.063 0.000 1.128 267 N HN 0.248 nan 8.380 nan 0.000 0.512 268 P HA 0.073 nan 4.420 nan 0.000 0.271 268 P C -0.537 176.712 177.300 -0.085 0.000 1.216 268 P CA -0.005 63.066 63.100 -0.048 0.000 0.771 268 P CB 0.641 32.324 31.700 -0.030 0.000 0.864 269 T N 4.436 118.933 114.554 -0.095 0.000 2.761 269 T HA 0.327 4.677 4.350 -0.000 0.000 0.296 269 T C 0.615 175.201 174.700 -0.190 0.000 0.934 269 T CA -0.182 61.791 62.100 -0.212 0.000 1.091 269 T CB -0.124 68.543 68.868 -0.334 0.000 0.896 269 T HN 0.195 nan 8.240 nan 0.000 0.515 270 I N 3.890 124.357 120.570 -0.171 0.000 2.371 270 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 270 I C -0.447 175.567 176.117 -0.172 0.000 1.028 270 I CA -0.511 60.763 61.300 -0.044 0.000 1.345 270 I CB 0.375 38.423 38.000 0.081 0.000 1.407 270 I HN 0.580 nan 8.210 nan 0.000 0.501 271 Y N 4.381 124.693 120.300 0.020 0.000 2.487 271 Y HA 0.462 5.012 4.550 -0.000 0.000 0.337 271 Y C 0.019 175.942 175.900 0.038 0.000 1.076 271 Y CA -1.027 57.078 58.100 0.008 0.000 1.115 271 Y CB 1.695 40.134 38.460 -0.035 0.000 1.235 271 Y HN 0.129 nan 8.280 nan 0.000 0.468 272 V N 4.723 124.753 119.914 0.193 0.000 2.408 272 V HA 0.208 4.328 4.120 -0.000 0.000 0.267 272 V C -0.154 176.030 176.094 0.150 0.000 1.047 272 V CA -0.413 61.969 62.300 0.138 0.000 0.937 272 V CB -0.165 31.656 31.823 -0.005 0.000 0.999 272 V HN 0.493 nan 8.190 nan 0.000 0.472 273 L N 7.074 128.403 121.223 0.176 0.000 2.334 273 L HA 0.870 5.210 4.340 -0.000 0.000 0.276 273 L C 0.103 177.074 176.870 0.167 0.000 1.014 273 L CA -0.669 54.245 54.840 0.123 0.000 0.815 273 L CB 1.786 43.898 42.059 0.089 0.000 1.268 273 L HN 0.811 nan 8.230 nan 0.000 0.428 274 R N 1.134 121.706 120.500 0.121 0.000 2.774 274 R HA 0.422 4.762 4.340 -0.000 0.000 0.279 274 R C -1.485 174.859 176.300 0.072 0.000 1.022 274 R CA -1.174 55.003 56.100 0.128 0.000 0.855 274 R CB 1.169 31.565 30.300 0.160 0.000 1.279 274 R HN 0.443 nan 8.270 nan 0.000 0.485 275 R N 1.105 121.630 120.500 0.041 0.000 2.449 275 R HA 0.064 4.404 4.340 -0.000 0.000 0.296 275 R C 0.806 177.078 176.300 -0.045 0.000 1.047 275 R CA 0.272 56.336 56.100 -0.060 0.000 1.018 275 R CB 0.180 30.440 30.300 -0.068 0.000 0.962 275 R HN 0.753 nan 8.270 nan 0.000 0.428 276 H N 1.079 120.171 119.070 0.036 0.000 2.423 276 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 276 H C 1.030 176.374 175.328 0.027 0.000 1.075 276 H CA 1.672 57.735 56.048 0.026 0.000 1.342 276 H CB -0.186 29.584 29.762 0.013 0.000 1.395 276 H HN 0.787 nan 8.280 nan 0.000 0.530 277 D N 0.290 120.689 120.400 -0.001 0.000 2.312 277 D HA -0.084 4.555 4.640 -0.000 0.000 0.211 277 D C 0.475 176.799 176.300 0.040 0.000 0.964 277 D CA 0.180 54.222 54.000 0.069 0.000 0.877 277 D CB -0.027 40.770 40.800 -0.005 0.000 0.924 277 D HN 0.323 nan 8.370 nan 0.000 0.515 278 L N 1.108 122.349 121.223 0.030 0.000 2.265 278 L HA 0.415 4.755 4.340 -0.000 0.000 0.288 278 L C -2.279 174.638 176.870 0.078 0.000 1.058 278 L CA -2.118 52.749 54.840 0.044 0.000 0.809 278 L CB 0.737 42.825 42.059 0.048 0.000 1.179 278 L HN -0.165 nan 8.230 nan 0.000 0.429 279 P HA 0.123 nan 4.420 nan 0.000 0.267 279 P C -1.209 176.228 177.300 0.228 0.000 1.200 279 P CA -0.164 62.998 63.100 0.104 0.000 0.772 279 P CB 0.672 32.374 31.700 0.003 0.000 0.855 280 V N 2.371 122.449 119.914 0.273 0.000 2.459 280 V HA 0.292 4.412 4.120 -0.000 0.000 0.295 280 V C 0.703 177.047 176.094 0.416 0.000 1.029 280 V CA -0.592 61.879 62.300 0.284 0.000 0.874 280 V CB 1.413 33.314 31.823 0.129 0.000 0.985 280 V HN 0.732 nan 8.190 nan 0.000 0.438 281 T N 3.168 117.871 114.554 0.248 0.000 2.900 281 T HA 0.177 4.527 4.350 -0.000 0.000 0.307 281 T C -1.634 172.900 174.700 -0.275 0.000 1.065 281 T CA -1.100 60.740 62.100 -0.434 0.000 1.105 281 T CB 0.986 69.269 68.868 -0.974 0.000 0.979 281 T HN 0.448 nan 8.240 nan 0.000 0.544 282 P HA -0.088 nan 4.420 nan 0.000 0.216 282 P C 1.689 178.850 177.300 -0.232 0.000 1.153 282 P CA 1.679 64.708 63.100 -0.118 0.000 0.858 282 P CB -0.328 31.364 31.700 -0.013 0.000 0.789 283 A N -0.158 122.400 122.820 -0.438 0.000 1.898 283 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 283 A C 2.339 179.695 177.584 -0.380 0.000 1.181 283 A CA 2.091 53.664 52.037 -0.774 0.000 0.620 283 A CB -1.565 17.145 19.000 -0.485 0.000 0.819 283 A HN 0.195 nan 8.150 nan 0.000 0.442 284 A N -0.044 122.630 122.820 -0.244 0.000 1.902 284 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 284 A C 2.525 179.963 177.584 -0.242 0.000 1.181 284 A CA 2.149 54.094 52.037 -0.153 0.000 0.623 284 A CB -1.097 17.907 19.000 0.008 0.000 0.818 284 A HN 1.083 nan 8.150 nan 0.000 0.443 285 A N -0.448 122.263 122.820 -0.182 0.000 1.883 285 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 285 A C 2.433 179.946 177.584 -0.118 0.000 1.186 285 A CA 2.129 54.077 52.037 -0.149 0.000 0.624 285 A CB -1.456 17.504 19.000 -0.066 0.000 0.822 285 A HN 0.775 nan 8.150 nan 0.000 0.444 286 G N -0.465 108.292 108.800 -0.071 0.000 2.418 286 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 286 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 286 G C 1.471 176.524 174.900 0.255 0.000 1.158 286 G CA 1.171 46.353 45.100 0.137 0.000 0.771 286 G HN 0.493 nan 8.290 nan 0.000 0.545 287 L N 0.772 122.050 121.223 0.093 0.000 2.046 287 L HA 0.101 4.441 4.340 -0.000 0.000 0.208 287 L C 2.627 179.440 176.870 -0.094 0.000 1.077 287 L CA 1.324 56.125 54.840 -0.065 0.000 0.747 287 L CB -0.433 41.229 42.059 -0.662 0.000 0.896 287 L HN 0.265 nan 8.230 nan 0.000 0.432 288 I N -0.964 119.446 120.570 -0.267 0.000 2.315 288 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 288 I C 2.637 178.671 176.117 -0.138 0.000 1.117 288 I CA 0.976 62.089 61.300 -0.311 0.000 1.404 288 I CB -0.314 37.389 38.000 -0.494 0.000 1.071 288 I HN 0.239 nan 8.210 nan 0.000 0.419 289 R N -0.130 120.297 120.500 -0.122 0.000 2.083 289 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 289 R C 2.186 178.411 176.300 -0.125 0.000 1.137 289 R CA 2.081 58.083 56.100 -0.162 0.000 0.951 289 R CB -0.426 29.722 30.300 -0.253 0.000 0.851 289 R HN 0.389 nan 8.270 nan 0.000 0.434 290 W N 0.725 122.064 121.300 0.065 0.000 2.358 290 W HA -0.121 4.539 4.660 0.000 0.000 0.303 290 W C 2.016 178.638 176.519 0.173 0.000 1.208 290 W CA 0.511 57.941 57.345 0.141 0.000 1.274 290 W CB -0.184 29.414 29.460 0.230 0.000 1.138 290 W HN 0.049 nan 8.180 nan 0.000 0.515 291 I N -0.132 120.619 120.570 0.302 0.000 2.179 291 I HA -0.350 3.820 4.170 -0.000 0.000 0.242 291 I C 2.618 178.814 176.117 0.131 0.000 1.088 291 I CA 1.159 62.572 61.300 0.189 0.000 1.357 291 I CB -0.739 37.298 38.000 0.061 0.000 1.051 291 I HN 0.018 nan 8.210 nan 0.000 0.409 292 Q N -0.081 119.756 119.800 0.062 0.000 2.061 292 Q HA -0.304 4.036 4.340 -0.000 0.000 0.204 292 Q C 2.211 178.233 176.000 0.037 0.000 0.984 292 Q CA 2.099 57.917 55.803 0.025 0.000 0.846 292 Q CB -0.697 28.028 28.738 -0.022 0.000 0.902 292 Q HN 0.614 nan 8.270 nan 0.000 0.421 293 H N 0.136 119.169 119.070 -0.063 0.000 2.352 293 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 293 H C 1.422 176.657 175.328 -0.155 0.000 1.097 293 H CA 1.768 57.727 56.048 -0.149 0.000 1.311 293 H CB 0.068 29.684 29.762 -0.242 0.000 1.377 293 H HN 0.284 nan 8.280 nan 0.000 0.504 294 H N -0.957 118.166 119.070 0.089 0.000 2.539 294 H HA 0.369 4.925 4.556 -0.000 0.000 0.267 294 H C 0.514 175.799 175.328 -0.073 0.000 0.982 294 H CA 0.704 56.749 56.048 -0.005 0.000 1.146 294 H CB 0.214 30.037 29.762 0.101 0.000 1.382 294 H HN 0.423 nan 8.280 nan 0.000 0.577 295 A N 1.247 124.070 122.820 0.004 0.000 3.159 295 A HA 0.436 4.756 4.320 -0.000 0.000 0.301 295 A C -0.045 177.551 177.584 0.019 0.000 1.271 295 A CA -0.315 51.668 52.037 -0.090 0.000 0.998 295 A CB -0.790 18.166 19.000 -0.073 0.000 1.101 295 A HN 0.251 nan 8.150 nan 0.000 0.610 296 L N 0.000 121.225 121.223 0.004 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 296 L CA 0.000 54.874 54.840 0.057 0.000 0.813 296 L CB 0.000 42.059 42.059 0.001 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502