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 3fxr_1_A 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 0.022 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 L N 4.449 125.686 121.223 0.023 0.000 2.706 2 L HA -0.072 4.268 4.340 -0.001 0.000 0.282 2 L C 1.323 178.213 176.870 0.033 0.000 1.219 2 L CA 1.060 55.916 54.840 0.026 0.000 0.935 2 L CB 0.165 42.239 42.059 0.025 0.000 1.204 2 L HN 0.858 nan 8.230 nan 0.000 0.491 3 K N 4.042 124.464 120.400 0.036 0.000 2.063 3 K HA -0.164 4.156 4.320 -0.001 0.000 0.208 3 K C 1.691 178.324 176.600 0.055 0.000 1.048 3 K CA 1.687 58.004 56.287 0.049 0.000 0.928 3 K CB -0.245 32.286 32.500 0.053 0.000 0.713 3 K HN 0.663 nan 8.250 nan 0.000 0.442 4 L N 0.902 122.150 121.223 0.043 0.000 2.083 4 L HA -0.244 4.095 4.340 -0.001 0.000 0.209 4 L C 2.683 179.579 176.870 0.042 0.000 1.083 4 L CA 1.816 56.679 54.840 0.040 0.000 0.752 4 L CB -0.529 41.548 42.059 0.030 0.000 0.899 4 L HN 0.488 nan 8.230 nan 0.000 0.433 5 Q N -1.516 118.308 119.800 0.040 0.000 2.172 5 Q HA -0.145 4.194 4.340 -0.001 0.000 0.200 5 Q C 1.831 177.859 176.000 0.047 0.000 0.964 5 Q CA 1.798 57.625 55.803 0.041 0.000 0.855 5 Q CB -0.704 28.056 28.738 0.037 0.000 0.918 5 Q HN 0.344 nan 8.270 nan 0.000 0.444 6 T N 2.410 116.995 114.554 0.052 0.000 2.652 6 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 6 T C 1.933 176.683 174.700 0.084 0.000 1.039 6 T CA 1.427 63.564 62.100 0.062 0.000 1.153 6 T CB -0.282 68.623 68.868 0.062 0.000 0.863 6 T HN 0.190 nan 8.240 nan 0.000 0.428 7 L N 0.533 121.813 121.223 0.095 0.000 2.017 7 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 7 L C 2.929 179.843 176.870 0.073 0.000 1.073 7 L CA 1.310 56.215 54.840 0.108 0.000 0.745 7 L CB -0.657 41.453 42.059 0.085 0.000 0.894 7 L HN 0.210 nan 8.230 nan 0.000 0.432 8 Q N 0.132 119.964 119.800 0.053 0.000 2.133 8 Q HA -0.259 4.081 4.340 -0.001 0.000 0.208 8 Q C 2.239 178.265 176.000 0.044 0.000 0.991 8 Q CA 2.374 58.202 55.803 0.042 0.000 0.867 8 Q CB -0.230 28.531 28.738 0.038 0.000 0.911 8 Q HN 0.519 nan 8.270 nan 0.000 0.417 9 A N -0.327 122.522 122.820 0.049 0.000 1.898 9 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 9 A C 2.031 179.645 177.584 0.049 0.000 1.181 9 A CA 1.197 53.260 52.037 0.043 0.000 0.620 9 A CB -0.656 18.368 19.000 0.039 0.000 0.819 9 A HN 0.437 nan 8.150 nan 0.000 0.442 10 L N -0.490 120.775 121.223 0.069 0.000 2.046 10 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 10 L C 2.464 179.376 176.870 0.070 0.000 1.077 10 L CA 1.198 56.088 54.840 0.084 0.000 0.747 10 L CB -0.479 41.663 42.059 0.139 0.000 0.896 10 L HN 0.393 nan 8.230 nan 0.000 0.432 11 I N -1.083 119.523 120.570 0.060 0.000 2.163 11 I HA -0.408 3.761 4.170 -0.001 0.000 0.243 11 I C 2.808 178.945 176.117 0.032 0.000 1.085 11 I CA 1.336 62.660 61.300 0.041 0.000 1.347 11 I CB -0.431 37.587 38.000 0.029 0.000 1.044 11 I HN 0.436 nan 8.210 nan 0.000 0.408 12 C N 1.149 120.467 119.300 0.031 0.000 2.429 12 C HA -0.136 4.324 4.460 -0.001 0.000 0.277 12 C C 2.753 177.756 174.990 0.022 0.000 1.262 12 C CA 0.720 59.752 59.018 0.022 0.000 1.733 12 C CB -0.893 26.858 27.740 0.019 0.000 2.010 12 C HN 0.392 nan 8.230 nan 0.000 0.483 13 I N 0.661 121.248 120.570 0.028 0.000 2.226 13 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 13 I C 2.587 178.720 176.117 0.027 0.000 1.100 13 I CA 2.108 63.424 61.300 0.027 0.000 1.374 13 I CB -0.730 37.290 38.000 0.033 0.000 1.057 13 I HN 0.511 nan 8.210 nan 0.000 0.413 14 E N 1.364 121.584 120.200 0.033 0.000 2.118 14 E HA -0.265 4.084 4.350 -0.001 0.000 0.195 14 E C 1.936 178.548 176.600 0.020 0.000 0.992 14 E CA 1.612 58.030 56.400 0.030 0.000 0.804 14 E CB 0.074 29.795 29.700 0.035 0.000 0.741 14 E HN 0.552 nan 8.360 nan 0.000 0.458 15 E N -0.219 119.991 120.200 0.017 0.000 2.086 15 E HA -0.102 4.247 4.350 -0.001 0.000 0.190 15 E C 2.110 178.716 176.600 0.009 0.000 0.975 15 E CA 1.272 57.679 56.400 0.012 0.000 0.813 15 E CB 0.354 30.061 29.700 0.011 0.000 0.768 15 E HN 0.350 nan 8.360 nan 0.000 0.457 16 V N -2.627 117.292 119.914 0.009 0.000 3.660 16 V HA 0.436 4.555 4.120 -0.001 0.000 0.276 16 V C 1.207 177.305 176.094 0.006 0.000 1.317 16 V CA 0.528 62.831 62.300 0.005 0.000 1.097 16 V CB 0.107 31.931 31.823 0.002 0.000 0.863 16 V HN 0.319 nan 8.190 nan 0.000 0.438 17 G N 0.500 109.306 108.800 0.009 0.000 2.153 17 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.252 17 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.252 17 G C 0.206 175.111 174.900 0.008 0.000 0.994 17 G CA 0.749 45.855 45.100 0.010 0.000 0.698 17 G HN 1.744 nan 8.290 nan 0.000 0.521 18 S N -1.500 114.205 115.700 0.008 0.000 2.603 18 S HA 0.545 5.015 4.470 -0.001 0.000 0.274 18 S C 0.872 175.475 174.600 0.005 0.000 1.168 18 S CA 0.245 58.448 58.200 0.005 0.000 0.963 18 S CB 1.449 64.649 63.200 0.001 0.000 1.078 18 S HN 1.022 nan 8.310 nan 0.000 0.477 19 L N 4.837 126.064 121.223 0.007 0.000 1.989 19 L HA 0.015 4.355 4.340 -0.001 0.000 0.211 19 L C 2.652 179.523 176.870 0.001 0.000 1.071 19 L CA 1.662 56.506 54.840 0.007 0.000 0.749 19 L CB -0.327 41.737 42.059 0.007 0.000 0.890 19 L HN 0.896 nan 8.230 nan 0.000 0.431 20 R N -0.523 119.976 120.500 -0.002 0.000 2.094 20 R HA -0.242 4.098 4.340 -0.001 0.000 0.239 20 R C 2.252 178.544 176.300 -0.013 0.000 1.137 20 R CA 1.889 57.985 56.100 -0.007 0.000 0.943 20 R CB -0.550 29.746 30.300 -0.006 0.000 0.850 20 R HN 0.583 nan 8.270 nan 0.000 0.433 21 A N 0.141 122.953 122.820 -0.012 0.000 1.933 21 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 21 A C 2.256 179.826 177.584 -0.024 0.000 1.175 21 A CA 1.744 53.769 52.037 -0.019 0.000 0.628 21 A CB -0.658 18.335 19.000 -0.013 0.000 0.814 21 A HN 0.540 nan 8.150 nan 0.000 0.444 22 A N -0.191 122.621 122.820 -0.013 0.000 1.897 22 A HA 0.243 4.563 4.320 -0.001 0.000 0.215 22 A C 2.503 180.077 177.584 -0.017 0.000 1.181 22 A CA 1.804 53.836 52.037 -0.010 0.000 0.620 22 A CB -1.011 17.992 19.000 0.005 0.000 0.821 22 A HN 1.032 nan 8.150 nan 0.000 0.443 23 A N -0.552 122.260 122.820 -0.015 0.000 1.940 23 A HA -0.256 4.064 4.320 -0.001 0.000 0.219 23 A C 2.208 179.763 177.584 -0.048 0.000 1.176 23 A CA 1.910 53.937 52.037 -0.016 0.000 0.631 23 A CB -0.587 18.409 19.000 -0.007 0.000 0.814 23 A HN 0.686 nan 8.150 nan 0.000 0.446 24 Q N -0.781 118.977 119.800 -0.070 0.000 2.172 24 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 24 Q C 1.991 177.852 176.000 -0.232 0.000 0.964 24 Q CA 1.303 57.029 55.803 -0.128 0.000 0.855 24 Q CB -0.179 28.505 28.738 -0.091 0.000 0.918 24 Q HN 0.677 nan 8.270 nan 0.000 0.444 25 L N 0.085 121.219 121.223 -0.149 0.000 2.109 25 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 25 L C 1.505 178.298 176.870 -0.128 0.000 1.086 25 L CA 0.933 55.689 54.840 -0.140 0.000 0.760 25 L CB 0.161 42.186 42.059 -0.057 0.000 0.910 25 L HN 0.260 nan 8.230 nan 0.000 0.437 26 L N -1.279 119.908 121.223 -0.060 0.000 2.653 26 L HA 0.138 4.478 4.340 -0.001 0.000 0.231 26 L C 0.000 176.946 176.870 0.126 0.000 1.153 26 L CA -0.222 54.646 54.840 0.046 0.000 0.933 26 L CB -0.450 41.635 42.059 0.042 0.000 1.175 26 L HN 0.273 nan 8.230 nan 0.000 0.473 27 H N -0.766 118.310 119.070 0.010 0.000 2.692 27 H HA -0.153 4.402 4.556 -0.001 0.000 0.316 27 H C -0.525 174.808 175.328 0.009 0.000 1.176 27 H CA 0.309 56.362 56.048 0.009 0.000 1.142 27 H CB -1.777 27.990 29.762 0.008 0.000 1.475 27 H HN 0.243 nan 8.280 nan 0.000 0.423 28 L N -0.490 120.774 121.223 0.067 0.000 2.333 28 L HA 0.446 4.786 4.340 -0.001 0.000 0.269 28 L C 0.655 177.543 176.870 0.030 0.000 1.010 28 L CA -0.946 53.924 54.840 0.050 0.000 0.818 28 L CB 1.864 43.946 42.059 0.038 0.000 1.306 28 L HN 0.245 nan 8.230 nan 0.000 0.430 29 S N 0.589 116.306 115.700 0.028 0.000 2.533 29 S HA 0.077 4.547 4.470 -0.001 0.000 0.282 29 S C 0.800 175.407 174.600 0.012 0.000 1.304 29 S CA -0.205 58.006 58.200 0.019 0.000 1.063 29 S CB 0.881 64.092 63.200 0.018 0.000 0.881 29 S HN 0.715 nan 8.310 nan 0.000 0.493 30 Q N 4.587 124.391 119.800 0.007 0.000 1.993 30 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 30 Q C -0.579 175.424 176.000 0.004 0.000 0.984 30 Q CA 1.597 57.403 55.803 0.004 0.000 0.837 30 Q CB -0.964 27.774 28.738 0.000 0.000 0.902 30 Q HN 0.683 nan 8.270 nan 0.000 0.423 31 P HA -0.174 nan 4.420 nan 0.000 0.218 31 P C 0.679 177.981 177.300 0.004 0.000 1.148 31 P CA 1.861 64.963 63.100 0.003 0.000 0.822 31 P CB 0.021 31.723 31.700 0.003 0.000 0.784 32 A N -0.265 122.559 122.820 0.007 0.000 1.898 32 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 32 A C 2.202 179.792 177.584 0.009 0.000 1.183 32 A CA 1.088 53.130 52.037 0.009 0.000 0.622 32 A CB -1.504 17.503 19.000 0.012 0.000 0.824 32 A HN 0.163 nan 8.150 nan 0.000 0.444 33 L N -0.146 121.083 121.223 0.011 0.000 2.046 33 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 33 L C 2.541 179.415 176.870 0.008 0.000 1.077 33 L CA 2.588 57.435 54.840 0.013 0.000 0.747 33 L CB -0.808 41.260 42.059 0.014 0.000 0.896 33 L HN 0.327 nan 8.230 nan 0.000 0.432 34 S N -0.805 114.898 115.700 0.005 0.000 2.359 34 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 34 S C 2.134 176.732 174.600 -0.004 0.000 1.035 34 S CA 1.328 59.528 58.200 0.001 0.000 1.018 34 S CB -0.498 62.702 63.200 0.000 0.000 0.876 34 S HN 0.673 nan 8.310 nan 0.000 0.448 35 A N 1.072 123.890 122.820 -0.003 0.000 1.930 35 A HA 0.241 4.561 4.320 -0.001 0.000 0.217 35 A C 2.411 179.991 177.584 -0.007 0.000 1.175 35 A CA 1.762 53.795 52.037 -0.006 0.000 0.627 35 A CB -1.231 17.767 19.000 -0.003 0.000 0.815 35 A HN 0.712 nan 8.150 nan 0.000 0.443 36 A N 0.150 122.969 122.820 -0.002 0.000 1.858 36 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 36 A C 2.120 179.698 177.584 -0.009 0.000 1.190 36 A CA 1.512 53.548 52.037 -0.000 0.000 0.617 36 A CB -0.631 18.375 19.000 0.011 0.000 0.827 36 A HN 0.476 nan 8.150 nan 0.000 0.443 37 I N -0.526 120.039 120.570 -0.008 0.000 2.163 37 I HA -0.333 3.836 4.170 -0.001 0.000 0.243 37 I C 2.817 178.909 176.117 -0.042 0.000 1.085 37 I CA 1.981 63.269 61.300 -0.021 0.000 1.347 37 I CB -0.370 37.625 38.000 -0.009 0.000 1.044 37 I HN 0.531 nan 8.210 nan 0.000 0.408 38 Q N 1.208 120.989 119.800 -0.032 0.000 2.077 38 Q HA -0.317 4.023 4.340 -0.001 0.000 0.206 38 Q C 2.148 178.119 176.000 -0.047 0.000 0.989 38 Q CA 2.210 57.990 55.803 -0.039 0.000 0.853 38 Q CB -0.393 28.329 28.738 -0.027 0.000 0.907 38 Q HN 0.476 nan 8.270 nan 0.000 0.418 39 Q N -0.823 118.955 119.800 -0.037 0.000 2.061 39 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 39 Q C 2.029 177.996 176.000 -0.055 0.000 0.984 39 Q CA 1.652 57.432 55.803 -0.038 0.000 0.846 39 Q CB -0.290 28.433 28.738 -0.024 0.000 0.902 39 Q HN 0.498 nan 8.270 nan 0.000 0.421 40 L N 1.114 122.299 121.223 -0.063 0.000 2.012 40 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 40 L C 1.786 178.563 176.870 -0.155 0.000 1.073 40 L CA 2.005 56.785 54.840 -0.099 0.000 0.748 40 L CB -0.476 41.523 42.059 -0.100 0.000 0.891 40 L HN 0.243 nan 8.230 nan 0.000 0.431 41 E N -0.541 119.570 120.200 -0.148 0.000 2.118 41 E HA -0.237 4.113 4.350 -0.001 0.000 0.195 41 E C 1.778 178.294 176.600 -0.140 0.000 0.992 41 E CA 1.383 57.685 56.400 -0.162 0.000 0.804 41 E CB -0.156 29.470 29.700 -0.123 0.000 0.741 41 E HN 0.585 nan 8.360 nan 0.000 0.458 42 D N 0.608 120.946 120.400 -0.103 0.000 2.117 42 D HA -0.133 4.507 4.640 -0.001 0.000 0.198 42 D C 1.705 177.953 176.300 -0.087 0.000 0.982 42 D CA 0.962 54.911 54.000 -0.086 0.000 0.828 42 D CB -0.167 40.596 40.800 -0.062 0.000 0.967 42 D HN 0.246 nan 8.370 nan 0.000 0.464 43 E N 0.114 120.264 120.200 -0.084 0.000 2.110 43 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 43 E C 2.181 178.724 176.600 -0.095 0.000 0.988 43 E CA 0.469 56.825 56.400 -0.075 0.000 0.804 43 E CB -0.017 29.648 29.700 -0.059 0.000 0.745 43 E HN 0.258 nan 8.360 nan 0.000 0.458 44 L N 0.156 121.295 121.223 -0.140 0.000 2.313 44 L HA -0.002 4.338 4.340 -0.001 0.000 0.214 44 L C 0.592 177.358 176.870 -0.174 0.000 1.119 44 L CA 0.447 55.186 54.840 -0.169 0.000 0.809 44 L CB -0.062 41.834 42.059 -0.271 0.000 0.933 44 L HN 0.042 nan 8.230 nan 0.000 0.449 45 K N -0.757 119.541 120.400 -0.169 0.000 3.192 45 K HA -0.165 4.155 4.320 -0.001 0.000 0.278 45 K C -0.221 176.215 176.600 -0.273 0.000 1.164 45 K CA 0.388 56.569 56.287 -0.176 0.000 0.816 45 K CB -1.614 30.804 32.500 -0.137 0.000 1.256 45 K HN 0.411 nan 8.250 nan 0.000 0.497 46 A N -0.330 122.299 122.820 -0.320 0.000 2.604 46 A HA 0.657 4.977 4.320 -0.001 0.000 0.295 46 A C -2.973 174.446 177.584 -0.276 0.000 1.067 46 A CA -1.358 50.399 52.037 -0.467 0.000 0.683 46 A CB 1.448 19.862 19.000 -0.978 0.000 1.281 46 A HN -0.112 nan 8.150 nan 0.000 0.407 47 P HA 0.461 nan 4.420 nan 0.000 0.279 47 P C 0.285 177.605 177.300 0.034 0.000 1.239 47 P CA -0.273 62.800 63.100 -0.046 0.000 0.789 47 P CB 0.701 32.410 31.700 0.016 0.000 0.933 48 L N 1.543 122.765 121.223 -0.002 0.000 2.416 48 L HA 0.187 4.526 4.340 -0.001 0.000 0.216 48 L C 0.564 177.473 176.870 0.066 0.000 1.098 48 L CA 0.624 55.487 54.840 0.039 0.000 0.840 48 L CB -0.189 41.854 42.059 -0.027 0.000 0.981 48 L HN 0.264 nan 8.230 nan 0.000 0.462 49 L N -0.111 121.138 121.223 0.045 0.000 2.386 49 L HA 0.549 4.889 4.340 -0.001 0.000 0.271 49 L C -0.916 175.979 176.870 0.040 0.000 0.993 49 L CA -0.504 54.361 54.840 0.041 0.000 0.819 49 L CB 2.911 44.986 42.059 0.026 0.000 1.294 49 L HN -0.324 nan 8.230 nan 0.000 0.414 50 V N 3.427 123.365 119.914 0.039 0.000 2.628 50 V HA 0.520 4.639 4.120 -0.001 0.000 0.306 50 V C -0.184 175.923 176.094 0.022 0.000 1.045 50 V CA -0.611 61.709 62.300 0.032 0.000 0.905 50 V CB 2.213 34.058 31.823 0.036 0.000 0.997 50 V HN 0.825 nan 8.190 nan 0.000 0.436 51 R N 3.285 123.795 120.500 0.018 0.000 2.490 51 R HA 0.533 4.873 4.340 -0.001 0.000 0.280 51 R C 0.003 176.310 176.300 0.011 0.000 1.077 51 R CA 0.557 56.665 56.100 0.013 0.000 1.065 51 R CB 1.198 31.504 30.300 0.010 0.000 1.003 51 R HN 0.941 nan 8.270 nan 0.000 0.470 52 T N 1.087 115.646 114.554 0.009 0.000 2.724 52 T HA 0.425 4.775 4.350 -0.001 0.000 0.274 52 T C 1.127 175.830 174.700 0.006 0.000 0.984 52 T CA 0.134 62.238 62.100 0.007 0.000 1.024 52 T CB 1.137 70.010 68.868 0.007 0.000 1.320 52 T HN 0.579 nan 8.240 nan 0.000 0.555 53 K N 0.505 120.907 120.400 0.004 0.000 2.057 53 K HA -0.022 4.298 4.320 -0.001 0.000 0.206 53 K C 2.198 178.800 176.600 0.003 0.000 1.050 53 K CA 2.139 58.428 56.287 0.003 0.000 0.935 53 K CB -0.878 31.624 32.500 0.003 0.000 0.715 53 K HN 0.718 nan 8.250 nan 0.000 0.439 54 R N -0.940 119.562 120.500 0.003 0.000 2.056 54 R HA 0.274 4.614 4.340 -0.001 0.000 0.227 54 R C 2.092 178.394 176.300 0.003 0.000 1.149 54 R CA 1.419 57.521 56.100 0.003 0.000 0.937 54 R CB -0.530 29.772 30.300 0.003 0.000 0.835 54 R HN 0.538 nan 8.270 nan 0.000 0.430 55 G N -0.752 108.051 108.800 0.005 0.000 3.319 55 G HA2 0.446 4.405 3.960 -0.001 0.000 0.158 55 G HA3 0.446 4.405 3.960 -0.001 0.000 0.158 55 G C -1.181 173.724 174.900 0.009 0.000 1.205 55 G CA -0.012 45.092 45.100 0.006 0.000 1.252 55 G HN 0.226 nan 8.290 nan 0.000 0.668 56 V N -1.697 118.223 119.914 0.011 0.000 3.001 56 V HA 0.919 5.038 4.120 -0.001 0.000 0.314 56 V C -0.424 175.680 176.094 0.018 0.000 1.099 56 V CA -0.691 61.618 62.300 0.015 0.000 0.989 56 V CB 1.415 33.248 31.823 0.017 0.000 1.040 56 V HN 0.663 nan 8.190 nan 0.000 0.434 57 S N 1.927 117.640 115.700 0.021 0.000 2.599 57 S HA 0.741 5.210 4.470 -0.001 0.000 0.294 57 S C -0.483 174.137 174.600 0.033 0.000 1.094 57 S CA -0.788 57.426 58.200 0.023 0.000 0.931 57 S CB 1.624 64.834 63.200 0.017 0.000 1.093 57 S HN 0.782 nan 8.310 nan 0.000 0.488 58 L N 2.624 123.870 121.223 0.039 0.000 2.490 58 L HA 0.192 4.532 4.340 -0.001 0.000 0.274 58 L C 1.411 178.309 176.870 0.046 0.000 1.201 58 L CA -0.309 54.564 54.840 0.055 0.000 0.869 58 L CB -0.023 42.074 42.059 0.064 0.000 1.123 58 L HN 0.793 nan 8.230 nan 0.000 0.484 59 T N -1.316 113.279 114.554 0.068 0.000 2.698 59 T HA 0.050 4.400 4.350 -0.001 0.000 0.295 59 T C 1.398 176.089 174.700 -0.015 0.000 1.007 59 T CA -0.206 61.925 62.100 0.051 0.000 0.980 59 T CB 0.932 69.895 68.868 0.159 0.000 1.036 59 T HN 0.738 nan 8.240 nan 0.000 0.526 60 S N 0.405 116.007 115.700 -0.163 0.000 2.370 60 S HA -0.159 4.310 4.470 -0.001 0.000 0.226 60 S C 1.729 176.183 174.600 -0.244 0.000 1.033 60 S CA 1.210 59.241 58.200 -0.282 0.000 1.011 60 S CB -1.214 61.691 63.200 -0.492 0.000 0.852 60 S HN 0.666 nan 8.310 nan 0.000 0.457 61 F N 2.574 122.550 119.950 0.044 0.000 2.234 61 F HA 0.246 4.773 4.527 -0.000 0.000 0.299 61 F C 2.836 178.699 175.800 0.105 0.000 1.087 61 F CA 0.384 58.421 58.000 0.062 0.000 1.340 61 F CB -1.229 37.784 39.000 0.022 0.000 1.031 61 F HN 0.368 nan 8.300 nan 0.000 0.500 62 G N -0.548 108.399 108.800 0.244 0.000 2.402 62 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 62 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 62 G C 1.552 176.573 174.900 0.201 0.000 1.162 62 G CA 0.486 45.713 45.100 0.212 0.000 0.777 62 G HN 0.330 nan 8.290 nan 0.000 0.539 63 Q N 0.007 119.878 119.800 0.119 0.000 2.119 63 Q HA 0.076 4.416 4.340 -0.001 0.000 0.201 63 Q C 2.999 179.056 176.000 0.095 0.000 0.972 63 Q CA 1.080 56.930 55.803 0.079 0.000 0.847 63 Q CB -0.196 28.557 28.738 0.025 0.000 0.903 63 Q HN 0.477 nan 8.270 nan 0.000 0.433 64 A N 0.338 123.237 122.820 0.131 0.000 1.877 64 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 64 A C 1.829 179.570 177.584 0.262 0.000 1.186 64 A CA 1.110 53.244 52.037 0.162 0.000 0.620 64 A CB -0.742 18.372 19.000 0.190 0.000 0.822 64 A HN 0.462 nan 8.150 nan 0.000 0.443 65 F N -0.488 119.567 119.950 0.175 0.000 2.186 65 F HA -0.098 4.429 4.527 -0.001 0.000 0.299 65 F C 2.101 178.004 175.800 0.170 0.000 1.090 65 F CA 1.949 60.075 58.000 0.210 0.000 1.307 65 F CB -0.179 38.904 39.000 0.138 0.000 1.019 65 F HN 0.244 nan 8.300 nan 0.000 0.489 66 M N 0.871 120.555 119.600 0.140 0.000 2.213 66 M HA -0.180 4.300 4.480 -0.001 0.000 0.263 66 M C 1.911 178.164 176.300 -0.079 0.000 1.062 66 M CA 1.750 57.065 55.300 0.025 0.000 1.105 66 M CB -0.481 32.166 32.600 0.078 0.000 1.385 66 M HN 0.021 nan 8.290 nan 0.000 0.417 67 K N -1.172 119.168 120.400 -0.100 0.000 2.032 67 K HA -0.188 4.132 4.320 -0.001 0.000 0.209 67 K C 2.039 178.491 176.600 -0.248 0.000 1.048 67 K CA 1.598 57.776 56.287 -0.182 0.000 0.927 67 K CB -0.613 31.742 32.500 -0.242 0.000 0.712 67 K HN 0.518 nan 8.250 nan 0.000 0.441 68 H N 0.351 119.299 119.070 -0.203 0.000 2.321 68 H HA -0.043 4.513 4.556 -0.001 0.000 0.300 68 H C 2.275 177.424 175.328 -0.298 0.000 1.087 68 H CA 1.482 57.377 56.048 -0.254 0.000 1.319 68 H CB -0.284 29.274 29.762 -0.340 0.000 1.379 68 H HN 0.276 nan 8.280 nan 0.000 0.501 69 A N 1.646 124.278 122.820 -0.313 0.000 1.917 69 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 69 A C 2.530 180.051 177.584 -0.105 0.000 1.182 69 A CA 1.694 53.581 52.037 -0.250 0.000 0.633 69 A CB -0.538 18.323 19.000 -0.232 0.000 0.819 69 A HN 0.326 nan 8.150 nan 0.000 0.448 70 R N -0.806 119.641 120.500 -0.089 0.000 2.081 70 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 70 R C 2.077 178.348 176.300 -0.048 0.000 1.131 70 R CA 1.507 57.575 56.100 -0.052 0.000 0.960 70 R CB -0.477 29.793 30.300 -0.049 0.000 0.856 70 R HN 0.539 nan 8.270 nan 0.000 0.436 71 L N 0.160 121.346 121.223 -0.061 0.000 2.093 71 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 71 L C 2.248 179.101 176.870 -0.028 0.000 1.085 71 L CA 1.100 55.914 54.840 -0.043 0.000 0.755 71 L CB -0.280 41.750 42.059 -0.048 0.000 0.904 71 L HN 0.172 nan 8.230 nan 0.000 0.435 72 I N -1.175 119.375 120.570 -0.033 0.000 2.315 72 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 72 I C 2.366 178.476 176.117 -0.011 0.000 1.117 72 I CA 0.782 62.069 61.300 -0.021 0.000 1.404 72 I CB -0.209 37.773 38.000 -0.030 0.000 1.071 72 I HN -0.013 nan 8.210 nan 0.000 0.419 73 V N 0.252 120.158 119.914 -0.013 0.000 2.358 73 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 73 V C 2.497 178.591 176.094 -0.001 0.000 1.047 73 V CA 2.362 64.661 62.300 -0.001 0.000 1.035 73 V CB -0.852 30.973 31.823 0.002 0.000 0.658 73 V HN 0.436 nan 8.190 nan 0.000 0.452 74 T N -0.578 113.972 114.554 -0.006 0.000 2.746 74 T HA -0.218 4.132 4.350 -0.001 0.000 0.267 74 T C 1.937 176.636 174.700 -0.002 0.000 1.039 74 T CA 1.852 63.949 62.100 -0.004 0.000 1.142 74 T CB -0.178 68.684 68.868 -0.010 0.000 0.866 74 T HN 0.477 nan 8.240 nan 0.000 0.444 75 E N 1.137 121.335 120.200 -0.004 0.000 2.077 75 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 75 E C 2.392 178.993 176.600 0.003 0.000 0.989 75 E CA 1.321 57.721 56.400 -0.001 0.000 0.800 75 E CB -0.357 29.341 29.700 -0.002 0.000 0.746 75 E HN 0.344 nan 8.360 nan 0.000 0.452 76 S N 0.306 116.008 115.700 0.004 0.000 2.370 76 S HA -0.194 4.276 4.470 -0.001 0.000 0.226 76 S C 1.897 176.503 174.600 0.010 0.000 1.033 76 S CA 1.497 59.702 58.200 0.008 0.000 1.011 76 S CB -0.312 62.895 63.200 0.010 0.000 0.852 76 S HN 0.294 nan 8.310 nan 0.000 0.457 77 R N 0.973 121.478 120.500 0.009 0.000 2.073 77 R HA 0.034 4.374 4.340 -0.001 0.000 0.234 77 R C 2.657 178.964 176.300 0.011 0.000 1.134 77 R CA 1.184 57.291 56.100 0.011 0.000 0.952 77 R CB -0.284 30.023 30.300 0.011 0.000 0.850 77 R HN 0.317 nan 8.270 nan 0.000 0.433 78 R N 0.526 121.031 120.500 0.008 0.000 2.081 78 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 78 R C 2.440 178.745 176.300 0.009 0.000 1.131 78 R CA 1.406 57.511 56.100 0.008 0.000 0.960 78 R CB -0.458 29.845 30.300 0.005 0.000 0.856 78 R HN 0.238 nan 8.270 nan 0.000 0.436 79 A N 0.894 123.719 122.820 0.008 0.000 1.865 79 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 79 A C 2.082 179.673 177.584 0.012 0.000 1.191 79 A CA 1.619 53.660 52.037 0.007 0.000 0.623 79 A CB -0.579 18.424 19.000 0.005 0.000 0.826 79 A HN 0.329 nan 8.150 nan 0.000 0.444 80 Q N -0.826 118.983 119.800 0.015 0.000 2.170 80 Q HA -0.179 4.161 4.340 -0.001 0.000 0.203 80 Q C 1.983 177.997 176.000 0.024 0.000 0.976 80 Q CA 1.738 57.553 55.803 0.020 0.000 0.858 80 Q CB -0.084 28.667 28.738 0.021 0.000 0.907 80 Q HN 0.810 nan 8.270 nan 0.000 0.433 81 E N -0.164 120.048 120.200 0.021 0.000 2.072 81 E HA -0.212 4.138 4.350 -0.001 0.000 0.190 81 E C 1.779 178.395 176.600 0.026 0.000 0.982 81 E CA 1.026 57.440 56.400 0.024 0.000 0.803 81 E CB 0.034 29.746 29.700 0.020 0.000 0.755 81 E HN 0.356 nan 8.360 nan 0.000 0.453 82 E N 0.668 120.879 120.200 0.020 0.000 2.038 82 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 82 E C 1.914 178.527 176.600 0.022 0.000 1.000 82 E CA 1.216 57.626 56.400 0.018 0.000 0.803 82 E CB -0.012 29.694 29.700 0.010 0.000 0.750 82 E HN 0.091 nan 8.360 nan 0.000 0.448 83 I N 0.972 121.554 120.570 0.019 0.000 2.394 83 I HA -0.104 4.066 4.170 -0.001 0.000 0.251 83 I C 2.289 178.433 176.117 0.046 0.000 1.136 83 I CA 1.423 62.736 61.300 0.021 0.000 1.425 83 I CB -0.755 37.251 38.000 0.010 0.000 1.079 83 I HN 0.286 nan 8.210 nan 0.000 0.425 84 G N -0.463 108.367 108.800 0.050 0.000 2.442 84 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 84 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 84 G C 1.564 176.511 174.900 0.079 0.000 1.141 84 G CA 0.445 45.585 45.100 0.066 0.000 0.763 84 G HN 0.333 nan 8.290 nan 0.000 0.554 85 Q N 0.011 119.851 119.800 0.066 0.000 1.994 85 Q HA 0.067 4.407 4.340 -0.001 0.000 0.198 85 Q C 2.870 178.924 176.000 0.090 0.000 0.976 85 Q CA 0.680 56.527 55.803 0.072 0.000 0.828 85 Q CB -0.555 28.214 28.738 0.053 0.000 0.894 85 Q HN 0.469 nan 8.270 nan 0.000 0.432 86 L N 0.735 122.001 121.223 0.071 0.000 1.990 86 L HA -0.236 4.103 4.340 -0.001 0.000 0.213 86 L C 2.849 179.803 176.870 0.140 0.000 1.072 86 L CA 1.672 56.556 54.840 0.073 0.000 0.755 86 L CB -0.630 41.442 42.059 0.022 0.000 0.889 86 L HN 0.248 nan 8.230 nan 0.000 0.432 87 R N 0.520 121.111 120.500 0.151 0.000 2.096 87 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 87 R C 2.168 178.661 176.300 0.323 0.000 1.127 87 R CA 1.559 57.830 56.100 0.286 0.000 0.968 87 R CB -0.551 29.888 30.300 0.232 0.000 0.861 87 R HN 0.405 nan 8.270 nan 0.000 0.440 88 G N 0.714 109.641 108.800 0.211 0.000 2.418 88 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.217 88 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.217 88 G C 1.645 176.675 174.900 0.218 0.000 1.158 88 G CA 0.640 45.850 45.100 0.182 0.000 0.771 88 G HN 0.323 nan 8.290 nan 0.000 0.545 89 R N -1.207 119.429 120.500 0.227 0.000 2.075 89 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 89 R C 2.186 178.686 176.300 0.334 0.000 1.126 89 R CA 1.276 57.527 56.100 0.253 0.000 0.963 89 R CB -0.372 30.012 30.300 0.140 0.000 0.858 89 R HN 0.512 nan 8.270 nan 0.000 0.435 90 W N 1.703 123.071 121.300 0.112 0.000 2.353 90 W HA -0.207 4.452 4.660 -0.001 0.000 0.319 90 W C 2.030 178.640 176.519 0.151 0.000 1.207 90 W CA 1.936 59.346 57.345 0.107 0.000 1.291 90 W CB -0.524 28.980 29.460 0.073 0.000 1.159 90 W HN 0.059 nan 8.180 nan 0.000 0.478 91 E N -0.296 119.947 120.200 0.073 0.000 2.204 91 E HA -0.038 4.311 4.350 -0.001 0.000 0.194 91 E C 2.111 178.705 176.600 -0.011 0.000 0.989 91 E CA 1.786 58.102 56.400 -0.141 0.000 0.824 91 E CB -0.996 28.704 29.700 -0.000 0.000 0.756 91 E HN 0.190 nan 8.360 nan 0.000 0.477 92 G N -1.252 107.614 108.800 0.111 0.000 3.026 92 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.208 92 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.208 92 G C -0.515 174.323 174.900 -0.103 0.000 1.169 92 G CA -0.002 45.131 45.100 0.055 0.000 0.788 92 G HN 0.237 nan 8.290 nan 0.000 0.533 93 H N -1.098 117.990 119.070 0.030 0.000 2.856 93 H HA 0.559 5.114 4.556 -0.001 0.000 0.355 93 H C -0.882 174.454 175.328 0.012 0.000 1.079 93 H CA -0.595 55.479 56.048 0.042 0.000 1.240 93 H CB 2.030 31.828 29.762 0.059 0.000 1.701 93 H HN -0.007 nan 8.280 nan 0.000 0.527 94 I N 2.396 123.044 120.570 0.130 0.000 2.498 94 I HA 0.395 4.564 4.170 -0.001 0.000 0.290 94 I C -0.624 175.567 176.117 0.123 0.000 1.032 94 I CA -0.446 60.911 61.300 0.094 0.000 1.073 94 I CB 2.266 40.287 38.000 0.035 0.000 1.251 94 I HN 0.530 nan 8.210 nan 0.000 0.426 95 T N 6.434 121.039 114.554 0.086 0.000 2.890 95 T HA 0.638 4.987 4.350 -0.001 0.000 0.295 95 T C -0.717 173.952 174.700 -0.052 0.000 0.993 95 T CA -0.527 61.598 62.100 0.041 0.000 0.979 95 T CB 0.798 69.682 68.868 0.026 0.000 0.967 95 T HN 0.457 nan 8.240 nan 0.000 0.441 96 F N 0.557 120.271 119.950 -0.392 0.000 2.692 96 F HA 0.957 5.483 4.527 -0.001 0.000 0.320 96 F C -1.222 174.393 175.800 -0.309 0.000 1.123 96 F CA -1.702 55.940 58.000 -0.598 0.000 0.961 96 F CB 1.044 39.206 39.000 -1.396 0.000 1.383 96 F HN 0.604 nan 8.300 nan 0.000 0.483 97 A N 1.209 123.867 122.820 -0.269 0.000 2.355 97 A HA 0.931 5.251 4.320 -0.001 0.000 0.317 97 A C -1.243 176.303 177.584 -0.064 0.000 1.094 97 A CA -0.366 51.543 52.037 -0.214 0.000 0.764 97 A CB 1.044 20.003 19.000 -0.069 0.000 1.230 97 A HN 1.665 nan 8.150 nan 0.000 0.448 98 A N 1.325 124.084 122.820 -0.101 0.000 2.386 98 A HA 0.781 5.100 4.320 -0.001 0.000 0.311 98 A C 0.377 177.979 177.584 0.030 0.000 1.068 98 A CA 0.071 52.130 52.037 0.036 0.000 0.743 98 A CB 0.928 19.954 19.000 0.043 0.000 1.258 98 A HN 2.077 nan 8.150 nan 0.000 0.429 99 S N 2.081 117.817 115.700 0.061 0.000 2.584 99 S HA 0.290 4.759 4.470 -0.001 0.000 0.270 99 S C -1.736 172.854 174.600 -0.016 0.000 1.346 99 S CA -0.342 57.868 58.200 0.016 0.000 1.018 99 S CB 0.311 63.520 63.200 0.014 0.000 0.899 99 S HN 0.415 nan 8.310 nan 0.000 0.542 100 P HA -0.086 nan 4.420 nan 0.000 0.215 100 P C 1.633 178.900 177.300 -0.056 0.000 1.157 100 P CA 2.037 65.069 63.100 -0.112 0.000 0.874 100 P CB -0.291 31.212 31.700 -0.329 0.000 0.790 101 A N -0.418 122.373 122.820 -0.048 0.000 1.877 101 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 101 A C 2.195 179.818 177.584 0.065 0.000 1.186 101 A CA 1.450 53.505 52.037 0.029 0.000 0.620 101 A CB -1.544 17.514 19.000 0.096 0.000 0.822 101 A HN 0.038 nan 8.150 nan 0.000 0.443 102 I N -0.025 120.610 120.570 0.107 0.000 2.286 102 I HA -0.247 3.923 4.170 -0.001 0.000 0.248 102 I C 2.818 178.982 176.117 0.079 0.000 1.115 102 I CA 1.553 62.926 61.300 0.121 0.000 1.392 102 I CB -1.375 36.735 38.000 0.184 0.000 1.065 102 I HN 0.380 nan 8.210 nan 0.000 0.418 103 A N -0.012 122.840 122.820 0.054 0.000 2.066 103 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 103 A C 2.293 179.888 177.584 0.018 0.000 1.157 103 A CA 0.925 52.980 52.037 0.032 0.000 0.670 103 A CB -0.365 18.639 19.000 0.007 0.000 0.804 103 A HN 0.420 nan 8.150 nan 0.000 0.453 104 L N -2.424 118.808 121.223 0.015 0.000 2.463 104 L HA 0.218 4.557 4.340 -0.001 0.000 0.219 104 L C 2.401 179.269 176.870 -0.002 0.000 1.088 104 L CA 0.751 55.595 54.840 0.006 0.000 0.849 104 L CB 0.084 42.148 42.059 0.009 0.000 1.012 104 L HN 0.399 nan 8.230 nan 0.000 0.468 105 A N -0.811 122.007 122.820 -0.003 0.000 2.008 105 A HA 0.413 4.733 4.320 -0.001 0.000 0.201 105 A C 2.160 179.731 177.584 -0.023 0.000 1.794 105 A CA 0.713 52.738 52.037 -0.019 0.000 0.952 105 A CB -0.675 18.305 19.000 -0.033 0.000 1.147 105 A HN 0.111 nan 8.150 nan 0.000 0.589 106 A N -0.082 122.732 122.820 -0.010 0.000 1.841 106 A HA 0.026 4.346 4.320 -0.001 0.000 0.214 106 A C 2.104 179.699 177.584 0.018 0.000 1.195 106 A CA 1.723 53.774 52.037 0.024 0.000 0.611 106 A CB -0.932 18.092 19.000 0.040 0.000 0.835 106 A HN 0.509 nan 8.150 nan 0.000 0.443 107 L N 0.274 121.528 121.223 0.051 0.000 1.990 107 L HA -0.141 4.198 4.340 -0.001 0.000 0.213 107 L C -0.574 176.298 176.870 0.004 0.000 1.072 107 L CA 2.641 57.524 54.840 0.070 0.000 0.755 107 L CB -1.023 41.101 42.059 0.109 0.000 0.889 107 L HN 0.205 nan 8.230 nan 0.000 0.432 108 P HA -0.201 nan 4.420 nan 0.000 0.215 108 P C 1.974 179.204 177.300 -0.118 0.000 1.157 108 P CA 1.612 64.681 63.100 -0.052 0.000 0.874 108 P CB 0.001 31.672 31.700 -0.048 0.000 0.790 109 L N -1.546 119.543 121.223 -0.224 0.000 2.109 109 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 109 L C 2.497 179.080 176.870 -0.479 0.000 1.086 109 L CA 1.286 55.869 54.840 -0.428 0.000 0.760 109 L CB -1.106 40.542 42.059 -0.686 0.000 0.910 109 L HN -0.081 nan 8.230 nan 0.000 0.437 110 A N 0.216 122.848 122.820 -0.314 0.000 1.883 110 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 110 A C 2.244 179.820 177.584 -0.012 0.000 1.186 110 A CA 1.607 53.654 52.037 0.017 0.000 0.624 110 A CB -0.793 18.304 19.000 0.163 0.000 0.822 110 A HN 0.346 nan 8.150 nan 0.000 0.444 111 L N -0.837 120.379 121.223 -0.011 0.000 2.083 111 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 111 L C 3.096 179.989 176.870 0.038 0.000 1.083 111 L CA 0.989 55.861 54.840 0.053 0.000 0.752 111 L CB -0.518 41.572 42.059 0.051 0.000 0.899 111 L HN 0.458 nan 8.230 nan 0.000 0.433 112 A N -0.800 121.978 122.820 -0.071 0.000 1.858 112 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 112 A C 2.520 179.978 177.584 -0.210 0.000 1.190 112 A CA 2.224 54.196 52.037 -0.109 0.000 0.617 112 A CB -0.779 18.150 19.000 -0.119 0.000 0.827 112 A HN 0.334 nan 8.150 nan 0.000 0.443 113 S N -1.219 114.243 115.700 -0.396 0.000 2.356 113 S HA -0.131 4.339 4.470 -0.001 0.000 0.223 113 S C 1.673 175.755 174.600 -0.863 0.000 1.032 113 S CA 1.473 59.184 58.200 -0.815 0.000 1.005 113 S CB -0.560 61.698 63.200 -1.571 0.000 0.867 113 S HN 0.631 nan 8.310 nan 0.000 0.449 114 F N 2.655 122.094 119.950 -0.852 0.000 2.091 114 F HA -0.228 4.298 4.527 -0.001 0.000 0.299 114 F C 2.182 177.955 175.800 -0.046 0.000 1.103 114 F CA 1.474 59.273 58.000 -0.335 0.000 1.228 114 F CB -0.712 38.252 39.000 -0.061 0.000 0.984 114 F HN 0.179 nan 8.300 nan 0.000 0.477 115 A N 0.277 122.980 122.820 -0.196 0.000 2.121 115 A HA -0.065 4.255 4.320 -0.001 0.000 0.218 115 A C 2.289 179.736 177.584 -0.229 0.000 1.154 115 A CA 1.122 53.024 52.037 -0.225 0.000 0.679 115 A CB -0.634 18.375 19.000 0.015 0.000 0.795 115 A HN 0.513 nan 8.150 nan 0.000 0.458 116 R N -0.819 119.547 120.500 -0.223 0.000 2.062 116 R HA -0.056 4.284 4.340 -0.001 0.000 0.226 116 R C 2.191 178.372 176.300 -0.198 0.000 1.125 116 R CA 1.311 57.304 56.100 -0.179 0.000 0.966 116 R CB -0.211 29.996 30.300 -0.155 0.000 0.861 116 R HN 0.717 nan 8.270 nan 0.000 0.433 117 E N -0.266 119.816 120.200 -0.197 0.000 2.152 117 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 117 E C -0.471 175.794 176.600 -0.558 0.000 0.983 117 E CA 0.774 57.039 56.400 -0.224 0.000 0.818 117 E CB 0.326 30.090 29.700 0.106 0.000 0.758 117 E HN 0.107 nan 8.360 nan 0.000 0.467 118 F N 0.343 120.017 119.950 -0.460 0.000 2.660 118 F HA 0.277 4.804 4.527 -0.001 0.000 0.352 118 F C -1.909 173.624 175.800 -0.446 0.000 1.257 118 F CA -1.816 55.888 58.000 -0.493 0.000 1.200 118 F CB 1.872 40.431 39.000 -0.736 0.000 1.473 118 F HN -0.025 nan 8.300 nan 0.000 0.561 119 P HA -0.034 nan 4.420 nan 0.000 0.231 119 P C 0.271 177.541 177.300 -0.050 0.000 1.168 119 P CA 1.034 64.067 63.100 -0.112 0.000 0.779 119 P CB 0.484 32.121 31.700 -0.104 0.000 0.844 120 D N -0.199 120.189 120.400 -0.021 0.000 2.388 120 D HA 0.118 4.758 4.640 -0.001 0.000 0.221 120 D C 0.031 176.339 176.300 0.013 0.000 1.133 120 D CA 0.079 54.079 54.000 0.001 0.000 0.831 120 D CB 0.844 41.648 40.800 0.008 0.000 0.962 120 D HN 0.053 nan 8.370 nan 0.000 0.502 121 V N 1.233 121.174 119.914 0.045 0.000 2.370 121 V HA 0.212 4.331 4.120 -0.001 0.000 0.283 121 V C 0.619 176.746 176.094 0.056 0.000 1.023 121 V CA -0.670 61.671 62.300 0.067 0.000 0.857 121 V CB 1.725 33.682 31.823 0.224 0.000 0.985 121 V HN -0.077 nan 8.190 nan 0.000 0.443 122 T N 4.790 119.285 114.554 -0.098 0.000 2.834 122 T HA 0.383 4.733 4.350 -0.001 0.000 0.298 122 T C -0.021 174.691 174.700 0.020 0.000 0.966 122 T CA -0.014 62.041 62.100 -0.074 0.000 1.141 122 T CB 1.028 69.769 68.868 -0.213 0.000 0.905 122 T HN 0.397 nan 8.240 nan 0.000 0.535 123 V N 4.619 124.582 119.914 0.081 0.000 2.513 123 V HA 0.454 4.573 4.120 -0.001 0.000 0.299 123 V C 0.109 176.249 176.094 0.078 0.000 1.035 123 V CA -0.980 61.382 62.300 0.104 0.000 0.889 123 V CB 1.828 33.719 31.823 0.113 0.000 0.988 123 V HN 0.785 nan 8.190 nan 0.000 0.440 124 N N 3.216 121.958 118.700 0.070 0.000 2.442 124 N HA 0.441 5.180 4.740 -0.001 0.000 0.274 124 N C -1.515 173.897 175.510 -0.162 0.000 1.002 124 N CA -0.111 52.930 53.050 -0.014 0.000 0.910 124 N CB 2.063 40.555 38.487 0.009 0.000 1.244 124 N HN 0.470 nan 8.380 nan 0.000 0.492 125 V N 4.923 124.681 119.914 -0.260 0.000 2.495 125 V HA 0.658 4.778 4.120 -0.001 0.000 0.298 125 V C -0.509 175.358 176.094 -0.378 0.000 1.031 125 V CA -0.623 61.333 62.300 -0.573 0.000 0.871 125 V CB 1.232 32.727 31.823 -0.547 0.000 0.988 125 V HN 0.792 nan 8.190 nan 0.000 0.432 126 R N 3.545 123.795 120.500 -0.416 0.000 2.867 126 R HA 0.628 4.967 4.340 -0.001 0.000 0.268 126 R C -1.269 174.918 176.300 -0.190 0.000 1.014 126 R CA -0.982 54.981 56.100 -0.229 0.000 0.946 126 R CB 1.464 31.671 30.300 -0.154 0.000 1.208 126 R HN 0.473 nan 8.270 nan 0.000 0.477 127 D N 0.004 120.347 120.400 -0.095 0.000 2.414 127 D HA 0.378 5.017 4.640 -0.001 0.000 0.242 127 D C -0.072 176.215 176.300 -0.022 0.000 1.129 127 D CA 0.824 54.802 54.000 -0.037 0.000 0.885 127 D CB 1.591 42.400 40.800 0.014 0.000 1.198 127 D HN 0.721 nan 8.370 nan 0.000 0.437 128 G N 0.318 109.125 108.800 0.012 0.000 2.673 128 G HA2 0.541 4.501 3.960 -0.001 0.000 0.292 128 G HA3 0.541 4.501 3.960 -0.001 0.000 0.292 128 G C -1.446 173.500 174.900 0.077 0.000 1.450 128 G CA -0.630 44.491 45.100 0.035 0.000 0.837 128 G HN 0.383 nan 8.290 nan 0.000 0.505 129 M N 0.859 120.513 119.600 0.091 0.000 2.413 129 M HA 0.415 4.895 4.480 -0.001 0.000 0.287 129 M C -2.024 174.356 176.300 0.134 0.000 1.186 129 M CA -0.858 54.517 55.300 0.125 0.000 0.927 129 M CB 2.603 35.283 32.600 0.133 0.000 1.715 129 M HN 0.691 nan 8.290 nan 0.000 0.478 130 Y N 5.875 126.207 120.300 0.054 0.000 2.319 130 Y HA 0.393 4.943 4.550 -0.001 0.000 0.328 130 Y C -1.763 174.167 175.900 0.049 0.000 1.133 130 Y CA -0.832 57.296 58.100 0.045 0.000 1.265 130 Y CB 1.073 39.556 38.460 0.038 0.000 1.218 130 Y HN 0.419 nan 8.280 nan 0.000 0.508 131 P HA 0.058 nan 4.420 nan 0.000 0.255 131 P C 0.672 177.713 177.300 -0.431 0.000 1.248 131 P CA 0.975 63.452 63.100 -1.039 0.000 0.807 131 P CB 0.218 31.445 31.700 -0.789 0.000 1.150 132 A N 1.110 123.820 122.820 -0.183 0.000 1.978 132 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 132 A C 2.208 179.766 177.584 -0.044 0.000 1.170 132 A CA 2.122 54.108 52.037 -0.086 0.000 0.636 132 A CB -1.636 17.344 19.000 -0.033 0.000 0.810 132 A HN 0.192 nan 8.150 nan 0.000 0.448 133 V N -2.307 117.606 119.914 -0.001 0.000 2.970 133 V HA -0.115 4.005 4.120 -0.001 0.000 0.260 133 V C 2.265 178.397 176.094 0.064 0.000 1.100 133 V CA 2.040 64.370 62.300 0.049 0.000 1.122 133 V CB -1.149 30.735 31.823 0.102 0.000 0.721 133 V HN 0.534 nan 8.190 nan 0.000 0.483 134 S N 2.083 117.808 115.700 0.043 0.000 2.368 134 S HA -0.139 4.330 4.470 -0.001 0.000 0.226 134 S C 0.303 174.935 174.600 0.053 0.000 1.044 134 S CA 2.496 60.743 58.200 0.078 0.000 1.062 134 S CB -1.438 61.767 63.200 0.009 0.000 0.931 134 S HN 0.587 nan 8.310 nan 0.000 0.440 135 P HA -0.095 nan 4.420 nan 0.000 0.218 135 P C 1.532 178.850 177.300 0.030 0.000 1.149 135 P CA 1.226 64.338 63.100 0.019 0.000 0.817 135 P CB -0.234 31.468 31.700 0.002 0.000 0.785 136 Q N -0.874 118.945 119.800 0.032 0.000 2.331 136 Q HA 0.028 4.367 4.340 -0.001 0.000 0.203 136 Q C 2.040 178.071 176.000 0.052 0.000 0.944 136 Q CA 0.799 56.622 55.803 0.034 0.000 0.892 136 Q CB -1.040 27.712 28.738 0.022 0.000 0.983 136 Q HN 0.280 nan 8.270 nan 0.000 0.482 137 L N 0.809 122.074 121.223 0.070 0.000 2.046 137 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 137 L C 2.915 179.837 176.870 0.086 0.000 1.077 137 L CA 1.524 56.420 54.840 0.093 0.000 0.747 137 L CB -0.362 41.769 42.059 0.120 0.000 0.896 137 L HN 0.184 nan 8.230 nan 0.000 0.432 138 R N 0.335 120.879 120.500 0.074 0.000 2.075 138 R HA -0.176 4.164 4.340 -0.001 0.000 0.232 138 R C 1.726 178.056 176.300 0.051 0.000 1.126 138 R CA 1.758 57.895 56.100 0.063 0.000 0.963 138 R CB -0.110 30.222 30.300 0.054 0.000 0.858 138 R HN 0.473 nan 8.270 nan 0.000 0.435 139 D N -1.651 118.776 120.400 0.045 0.000 2.340 139 D HA 0.063 4.703 4.640 -0.001 0.000 0.220 139 D C 1.061 177.386 176.300 0.043 0.000 1.039 139 D CA 0.852 54.874 54.000 0.036 0.000 0.866 139 D CB 0.429 41.245 40.800 0.027 0.000 0.913 139 D HN 0.404 nan 8.370 nan 0.000 0.523 140 G N 0.456 109.291 108.800 0.057 0.000 2.225 140 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.254 140 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.254 140 G C 1.258 176.198 174.900 0.066 0.000 0.988 140 G CA 1.075 46.217 45.100 0.070 0.000 0.625 140 G HN 0.629 nan 8.290 nan 0.000 0.527 141 T N -1.955 112.627 114.554 0.047 0.000 3.025 141 T HA 0.337 4.687 4.350 -0.001 0.000 0.270 141 T C 0.760 175.480 174.700 0.034 0.000 1.126 141 T CA 1.534 63.656 62.100 0.037 0.000 1.105 141 T CB 0.290 69.171 68.868 0.023 0.000 0.884 141 T HN 0.998 nan 8.240 nan 0.000 0.522 142 L N 1.167 122.416 121.223 0.043 0.000 2.376 142 L HA 0.478 4.817 4.340 -0.001 0.000 0.275 142 L C -0.049 176.859 176.870 0.063 0.000 0.987 142 L CA -0.518 54.339 54.840 0.029 0.000 0.828 142 L CB 2.042 44.112 42.059 0.018 0.000 1.249 142 L HN -0.168 nan 8.230 nan 0.000 0.409 143 D N 3.820 124.251 120.400 0.052 0.000 2.077 143 D HA -0.022 4.617 4.640 -0.001 0.000 0.196 143 D C 0.092 176.548 176.300 0.260 0.000 0.986 143 D CA 2.195 56.285 54.000 0.149 0.000 0.829 143 D CB 0.016 40.918 40.800 0.170 0.000 0.983 143 D HN 0.403 nan 8.370 nan 0.000 0.453 144 F N -1.723 118.302 119.950 0.125 0.000 2.685 144 F HA 0.753 5.280 4.527 -0.001 0.000 0.315 144 F C -1.395 174.510 175.800 0.176 0.000 1.126 144 F CA -1.701 56.370 58.000 0.118 0.000 0.950 144 F CB 1.466 40.504 39.000 0.062 0.000 1.360 144 F HN -0.107 nan 8.300 nan 0.000 0.469 145 A N 1.608 124.624 122.820 0.326 0.000 2.386 145 A HA 0.818 5.137 4.320 -0.001 0.000 0.311 145 A C -1.658 176.125 177.584 0.331 0.000 1.068 145 A CA -0.865 51.320 52.037 0.248 0.000 0.743 145 A CB 1.442 20.547 19.000 0.176 0.000 1.258 145 A HN 0.832 nan 8.150 nan 0.000 0.429 146 L N 2.214 123.625 121.223 0.312 0.000 2.335 146 L HA 0.592 4.932 4.340 -0.001 0.000 0.268 146 L C 0.210 177.185 176.870 0.176 0.000 1.037 146 L CA -0.079 54.922 54.840 0.269 0.000 0.895 146 L CB 1.132 43.387 42.059 0.326 0.000 1.266 146 L HN 0.745 nan 8.230 nan 0.000 0.439 147 T N 1.216 115.857 114.554 0.145 0.000 2.883 147 T HA 0.753 5.102 4.350 -0.001 0.000 0.301 147 T C -0.485 174.260 174.700 0.076 0.000 1.158 147 T CA -0.292 61.874 62.100 0.111 0.000 1.007 147 T CB 1.654 70.614 68.868 0.153 0.000 1.186 147 T HN 0.493 nan 8.240 nan 0.000 0.499 148 A N 1.642 124.482 122.820 0.033 0.000 2.425 148 A HA 0.773 5.093 4.320 -0.001 0.000 0.242 148 A C 0.493 178.101 177.584 0.040 0.000 1.077 148 A CA 0.319 52.349 52.037 -0.011 0.000 0.781 148 A CB -0.439 18.527 19.000 -0.058 0.000 1.020 148 A HN 1.614 nan 8.150 nan 0.000 0.494 149 A N 1.001 123.826 122.820 0.009 0.000 2.581 149 A HA 0.683 5.002 4.320 -0.001 0.000 0.290 149 A C -1.114 176.329 177.584 -0.235 0.000 1.119 149 A CA -0.735 51.239 52.037 -0.104 0.000 0.670 149 A CB 0.764 19.581 19.000 -0.305 0.000 1.280 149 A HN 0.904 nan 8.150 nan 0.000 0.425 150 H N 1.273 120.362 119.070 0.032 0.000 2.551 150 H HA 0.281 4.837 4.556 -0.001 0.000 0.321 150 H C 0.753 176.042 175.328 -0.065 0.000 1.028 150 H CA -0.352 55.727 56.048 0.053 0.000 1.215 150 H CB 1.967 31.773 29.762 0.073 0.000 1.414 150 H HN 0.890 nan 8.280 nan 0.000 0.480 151 K N 2.470 122.891 120.400 0.034 0.000 2.052 151 K HA -0.212 4.107 4.320 -0.001 0.000 0.215 151 K C 0.828 177.325 176.600 -0.173 0.000 1.053 151 K CA 1.470 57.658 56.287 -0.166 0.000 0.934 151 K CB 0.074 32.540 32.500 -0.056 0.000 0.717 151 K HN 0.633 nan 8.250 nan 0.000 0.450 152 H N -0.905 118.168 119.070 0.005 0.000 2.553 152 H HA -0.014 4.542 4.556 -0.001 0.000 0.269 152 H C -0.165 175.163 175.328 0.001 0.000 1.011 152 H CA 0.722 56.768 56.048 -0.003 0.000 1.150 152 H CB 0.219 29.985 29.762 0.007 0.000 1.339 152 H HN 0.242 nan 8.280 nan 0.000 0.604 153 D N 0.712 121.161 120.400 0.081 0.000 2.846 153 D HA 0.239 4.878 4.640 -0.001 0.000 0.279 153 D C -0.748 175.592 176.300 0.067 0.000 1.222 153 D CA -0.152 53.901 54.000 0.088 0.000 0.769 153 D CB -0.221 40.654 40.800 0.124 0.000 1.299 153 D HN 0.078 nan 8.370 nan 0.000 0.537 154 I N 0.176 120.730 120.570 -0.026 0.000 2.647 154 I HA 0.315 4.484 4.170 -0.001 0.000 0.295 154 I C 0.084 176.206 176.117 0.009 0.000 1.078 154 I CA -1.180 60.062 61.300 -0.097 0.000 1.048 154 I CB 2.192 39.965 38.000 -0.379 0.000 1.239 154 I HN -0.033 nan 8.210 nan 0.000 0.421 155 D N 2.262 122.737 120.400 0.125 0.000 2.506 155 D HA -0.035 4.604 4.640 -0.001 0.000 0.234 155 D C 1.394 177.713 176.300 0.032 0.000 1.143 155 D CA 0.631 54.696 54.000 0.108 0.000 0.871 155 D CB 1.089 41.991 40.800 0.170 0.000 1.190 155 D HN 0.735 nan 8.370 nan 0.000 0.459 156 T N -0.920 113.652 114.554 0.030 0.000 2.951 156 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 156 T C 1.114 175.831 174.700 0.028 0.000 1.073 156 T CA 0.609 62.718 62.100 0.014 0.000 1.134 156 T CB 0.046 68.925 68.868 0.018 0.000 0.884 156 T HN 0.344 nan 8.240 nan 0.000 0.479 157 D N 1.244 121.672 120.400 0.046 0.000 2.350 157 D HA 0.090 4.729 4.640 -0.001 0.000 0.216 157 D C 0.519 176.863 176.300 0.072 0.000 0.968 157 D CA 0.514 54.550 54.000 0.061 0.000 0.894 157 D CB 0.054 40.892 40.800 0.063 0.000 0.909 157 D HN 0.457 nan 8.370 nan 0.000 0.520 158 L N 1.020 122.270 121.223 0.044 0.000 2.317 158 L HA 0.297 4.637 4.340 -0.001 0.000 0.281 158 L C 0.523 177.376 176.870 -0.029 0.000 1.024 158 L CA -0.627 54.229 54.840 0.027 0.000 0.810 158 L CB 2.325 44.388 42.059 0.008 0.000 1.240 158 L HN -0.184 nan 8.230 nan 0.000 0.427 159 E N 1.970 122.153 120.200 -0.029 0.000 2.277 159 E HA 0.588 4.938 4.350 -0.001 0.000 0.274 159 E C -1.157 175.379 176.600 -0.107 0.000 1.022 159 E CA -0.552 55.781 56.400 -0.112 0.000 0.853 159 E CB 1.883 31.482 29.700 -0.169 0.000 1.086 159 E HN 0.684 nan 8.360 nan 0.000 0.397 160 A N 4.553 127.289 122.820 -0.141 0.000 2.375 160 A HA 0.299 4.619 4.320 -0.001 0.000 0.291 160 A C -0.932 176.676 177.584 0.039 0.000 1.160 160 A CA -0.600 51.363 52.037 -0.123 0.000 0.747 160 A CB 1.044 19.778 19.000 -0.443 0.000 1.170 160 A HN 0.644 nan 8.150 nan 0.000 0.458 161 Q N 2.769 122.639 119.800 0.116 0.000 2.325 161 Q HA 0.382 4.721 4.340 -0.001 0.000 0.262 161 Q C -2.553 173.534 176.000 0.144 0.000 0.968 161 Q CA -1.953 53.911 55.803 0.103 0.000 0.877 161 Q CB 1.995 30.738 28.738 0.007 0.000 1.253 161 Q HN 0.442 nan 8.270 nan 0.000 0.448 162 P HA -0.099 nan 4.420 nan 0.000 0.265 162 P C -0.443 176.764 177.300 -0.155 0.000 1.193 162 P CA 0.112 63.053 63.100 -0.265 0.000 0.765 162 P CB 0.728 32.291 31.700 -0.229 0.000 0.823 163 L N 5.086 126.198 121.223 -0.184 0.000 2.356 163 L HA 0.305 4.644 4.340 -0.001 0.000 0.193 163 L C 0.005 176.932 176.870 0.095 0.000 1.087 163 L CA 1.270 56.102 54.840 -0.012 0.000 0.817 163 L CB -0.254 41.842 42.059 0.063 0.000 1.035 163 L HN 0.472 nan 8.230 nan 0.000 0.482 164 Y N -3.360 116.855 120.300 -0.140 0.000 2.689 164 Y HA 0.641 5.191 4.550 -0.001 0.000 0.333 164 Y C -1.352 174.467 175.900 -0.136 0.000 1.208 164 Y CA -1.811 56.221 58.100 -0.115 0.000 1.055 164 Y CB 0.480 38.899 38.460 -0.068 0.000 1.304 164 Y HN -0.318 nan 8.280 nan 0.000 0.455 165 V N 3.298 123.157 119.914 -0.092 0.000 2.383 165 V HA 0.526 4.646 4.120 -0.001 0.000 0.275 165 V C 0.207 176.237 176.094 -0.108 0.000 1.036 165 V CA 0.052 62.243 62.300 -0.181 0.000 0.889 165 V CB 0.732 32.514 31.823 -0.070 0.000 0.985 165 V HN 0.965 nan 8.190 nan 0.000 0.459 166 S N 3.707 119.254 115.700 -0.255 0.000 2.730 166 S HA 0.627 5.097 4.470 -0.001 0.000 0.284 166 S C -0.783 173.819 174.600 0.004 0.000 1.153 166 S CA -0.743 57.407 58.200 -0.084 0.000 0.995 166 S CB 1.886 64.958 63.200 -0.213 0.000 1.058 166 S HN 0.618 nan 8.310 nan 0.000 0.552 167 D N -0.345 120.088 120.400 0.055 0.000 2.457 167 D HA 0.682 5.322 4.640 -0.001 0.000 0.240 167 D C -1.279 175.047 176.300 0.044 0.000 1.041 167 D CA -0.315 53.715 54.000 0.049 0.000 0.861 167 D CB 1.939 42.780 40.800 0.068 0.000 1.394 167 D HN 0.405 nan 8.370 nan 0.000 0.473 168 V N 1.674 121.612 119.914 0.039 0.000 2.656 168 V HA 0.630 4.750 4.120 -0.001 0.000 0.307 168 V C -0.484 175.632 176.094 0.036 0.000 1.051 168 V CA -0.767 61.561 62.300 0.046 0.000 0.893 168 V CB 1.941 33.793 31.823 0.050 0.000 0.999 168 V HN 0.463 nan 8.190 nan 0.000 0.426 169 V N 3.059 122.989 119.914 0.026 0.000 2.876 169 V HA 0.691 4.810 4.120 -0.001 0.000 0.312 169 V C -0.545 175.545 176.094 -0.006 0.000 1.085 169 V CA -0.906 61.378 62.300 -0.027 0.000 0.945 169 V CB 1.993 33.735 31.823 -0.135 0.000 1.017 169 V HN 0.662 nan 8.190 nan 0.000 0.428 170 I N 3.389 123.958 120.570 -0.001 0.000 2.441 170 I HA 0.499 4.669 4.170 -0.001 0.000 0.287 170 I C -0.236 175.840 176.117 -0.069 0.000 1.049 170 I CA -0.261 61.074 61.300 0.059 0.000 1.381 170 I CB 1.494 39.582 38.000 0.148 0.000 1.409 170 I HN 0.464 nan 8.210 nan 0.000 0.523 171 V N 5.096 124.986 119.914 -0.040 0.000 2.680 171 V HA 0.876 4.995 4.120 -0.001 0.000 0.309 171 V C 0.328 176.363 176.094 -0.098 0.000 1.052 171 V CA -0.401 61.851 62.300 -0.080 0.000 0.908 171 V CB 1.825 33.663 31.823 0.024 0.000 1.001 171 V HN 0.939 nan 8.190 nan 0.000 0.431 172 G N 1.507 110.253 108.800 -0.090 0.000 2.708 172 G HA2 0.473 4.432 3.960 -0.001 0.000 0.289 172 G HA3 0.473 4.432 3.960 -0.001 0.000 0.289 172 G C -1.234 173.672 174.900 0.010 0.000 1.416 172 G CA -0.524 44.502 45.100 -0.124 0.000 0.829 172 G HN 0.521 nan 8.290 nan 0.000 0.480 173 Q N 0.393 120.225 119.800 0.054 0.000 2.315 173 Q HA 0.004 4.344 4.340 -0.001 0.000 0.289 173 Q C 1.583 177.630 176.000 0.078 0.000 1.044 173 Q CA -0.075 55.763 55.803 0.059 0.000 0.920 173 Q CB 0.717 29.492 28.738 0.061 0.000 1.214 173 Q HN 0.743 nan 8.270 nan 0.000 0.392 174 R N 3.133 123.666 120.500 0.055 0.000 2.133 174 R HA -0.226 4.114 4.340 -0.001 0.000 0.247 174 R C 0.261 176.594 176.300 0.056 0.000 1.151 174 R CA 2.121 58.257 56.100 0.060 0.000 0.971 174 R CB 0.239 30.566 30.300 0.045 0.000 0.866 174 R HN 0.655 nan 8.270 nan 0.000 0.447 175 Q N 0.054 119.880 119.800 0.042 0.000 2.404 175 Q HA 0.134 4.474 4.340 -0.001 0.000 0.368 175 Q C -1.046 174.970 176.000 0.027 0.000 0.939 175 Q CA -0.222 55.599 55.803 0.030 0.000 1.099 175 Q CB 0.792 29.533 28.738 0.004 0.000 1.284 175 Q HN 0.256 nan 8.270 nan 0.000 0.421 176 H N 0.933 119.987 119.070 -0.027 0.000 2.928 176 H HA 0.002 4.558 4.556 -0.001 0.000 0.338 176 H C -1.589 173.716 175.328 -0.037 0.000 1.047 176 H CA -1.160 54.861 56.048 -0.044 0.000 1.435 176 H CB 1.214 30.940 29.762 -0.060 0.000 1.428 176 H HN 0.169 nan 8.280 nan 0.000 0.590 177 P HA -0.143 nan 4.420 nan 0.000 0.220 177 P C 0.881 178.201 177.300 0.033 0.000 1.144 177 P CA 1.323 64.350 63.100 -0.122 0.000 0.800 177 P CB 0.244 31.819 31.700 -0.208 0.000 0.772 178 M N -2.712 117.032 119.600 0.239 0.000 2.475 178 M HA 0.331 4.810 4.480 -0.001 0.000 0.283 178 M C 1.508 177.877 176.300 0.115 0.000 1.165 178 M CA -0.358 55.053 55.300 0.185 0.000 0.976 178 M CB -0.733 31.982 32.600 0.191 0.000 1.428 178 M HN -0.156 nan 8.290 nan 0.000 0.495 179 A N 1.761 124.652 122.820 0.118 0.000 2.032 179 A HA -0.150 4.169 4.320 -0.001 0.000 0.221 179 A C 1.742 179.343 177.584 0.028 0.000 1.165 179 A CA 1.552 53.623 52.037 0.056 0.000 0.645 179 A CB -0.519 18.519 19.000 0.064 0.000 0.807 179 A HN 0.565 nan 8.150 nan 0.000 0.453 180 N N 0.036 118.753 118.700 0.029 0.000 2.322 180 N HA 0.226 4.966 4.740 -0.001 0.000 0.194 180 N C 0.463 175.979 175.510 0.009 0.000 1.126 180 N CA 0.672 53.731 53.050 0.016 0.000 0.845 180 N CB -0.071 38.425 38.487 0.014 0.000 0.976 180 N HN 0.459 nan 8.380 nan 0.000 0.475 181 A N 0.964 123.790 122.820 0.011 0.000 2.498 181 A HA 0.203 4.523 4.320 -0.001 0.000 0.239 181 A C 1.361 178.939 177.584 -0.011 0.000 1.068 181 A CA 0.317 52.355 52.037 0.003 0.000 0.766 181 A CB 0.193 19.199 19.000 0.011 0.000 1.003 181 A HN 0.314 nan 8.150 nan 0.000 0.497 182 T N -0.775 113.766 114.554 -0.021 0.000 3.010 182 T HA 0.307 4.656 4.350 -0.001 0.000 0.257 182 T C 0.495 175.157 174.700 -0.063 0.000 1.020 182 T CA -0.226 61.854 62.100 -0.033 0.000 0.938 182 T CB 0.129 68.982 68.868 -0.025 0.000 1.049 182 T HN 0.579 nan 8.240 nan 0.000 0.522 183 R N 0.273 120.728 120.500 -0.075 0.000 2.744 183 R HA 0.515 4.855 4.340 -0.001 0.000 0.279 183 R C 0.274 176.484 176.300 -0.150 0.000 0.977 183 R CA -0.992 55.026 56.100 -0.138 0.000 0.906 183 R CB 1.579 31.805 30.300 -0.123 0.000 1.197 183 R HN -0.010 nan 8.270 nan 0.000 0.463 184 L N 2.519 123.581 121.223 -0.269 0.000 2.013 184 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 184 L C 2.188 178.874 176.870 -0.305 0.000 1.073 184 L CA 2.603 57.261 54.840 -0.304 0.000 0.753 184 L CB -0.755 40.989 42.059 -0.525 0.000 0.890 184 L HN 0.933 nan 8.230 nan 0.000 0.432 185 A N -1.150 121.505 122.820 -0.275 0.000 1.948 185 A HA -0.266 4.054 4.320 -0.001 0.000 0.220 185 A C 2.111 179.654 177.584 -0.068 0.000 1.177 185 A CA 1.837 53.764 52.037 -0.184 0.000 0.636 185 A CB -0.642 18.288 19.000 -0.118 0.000 0.815 185 A HN 0.593 nan 8.150 nan 0.000 0.449 186 E N -0.538 119.636 120.200 -0.044 0.000 2.401 186 E HA -0.092 4.258 4.350 -0.001 0.000 0.199 186 E C 1.120 177.760 176.600 0.067 0.000 1.023 186 E CA 0.743 57.149 56.400 0.010 0.000 0.859 186 E CB -0.181 29.519 29.700 0.001 0.000 0.780 186 E HN 0.687 nan 8.360 nan 0.000 0.523 187 L N -0.170 121.124 121.223 0.118 0.000 2.693 187 L HA 0.096 4.435 4.340 -0.001 0.000 0.235 187 L C 1.885 179.035 176.870 0.465 0.000 1.127 187 L CA -0.068 54.935 54.840 0.272 0.000 0.914 187 L CB 0.023 42.328 42.059 0.409 0.000 1.193 187 L HN 0.021 nan 8.230 nan 0.000 0.502 188 Q N 0.730 120.743 119.800 0.354 0.000 2.242 188 Q HA -0.231 4.109 4.340 -0.001 0.000 0.211 188 Q C 1.410 177.628 176.000 0.363 0.000 0.992 188 Q CA 1.520 57.593 55.803 0.451 0.000 0.889 188 Q CB 0.148 29.021 28.738 0.224 0.000 0.913 188 Q HN 0.443 nan 8.270 nan 0.000 0.422 189 E N -0.846 119.494 120.200 0.233 0.000 2.474 189 E HA 0.018 4.367 4.350 -0.001 0.000 0.194 189 E C 0.415 177.084 176.600 0.115 0.000 1.041 189 E CA 0.040 56.530 56.400 0.150 0.000 0.874 189 E CB 0.186 29.941 29.700 0.092 0.000 0.914 189 E HN 0.290 nan 8.360 nan 0.000 0.498 190 C N 1.673 121.046 119.300 0.123 0.000 2.595 190 C HA 0.351 4.811 4.460 -0.001 0.000 0.384 190 C C 0.984 175.910 174.990 -0.107 0.000 1.289 190 C CA -0.716 58.273 59.018 -0.048 0.000 2.372 190 C CB 0.390 27.985 27.740 -0.242 0.000 2.593 190 C HN 0.147 nan 8.230 nan 0.000 0.639 191 R N 0.240 120.622 120.500 -0.197 0.000 2.540 191 R HA 0.404 4.743 4.340 -0.001 0.000 0.287 191 R C -1.550 174.565 176.300 -0.308 0.000 0.980 191 R CA -0.168 55.852 56.100 -0.133 0.000 0.966 191 R CB 1.188 31.445 30.300 -0.072 0.000 1.106 191 R HN 0.707 nan 8.270 nan 0.000 0.480 192 W N 0.047 121.301 121.300 -0.076 0.000 2.666 192 W HA 0.477 5.136 4.660 -0.001 0.000 0.334 192 W C -0.222 176.255 176.519 -0.070 0.000 1.051 192 W CA -0.682 56.659 57.345 -0.008 0.000 1.224 192 W CB 1.628 31.196 29.460 0.180 0.000 1.405 192 W HN 0.588 nan 8.180 nan 0.000 0.513 193 A N 3.628 126.583 122.820 0.225 0.000 2.666 193 A HA 0.402 4.721 4.320 -0.001 0.000 0.312 193 A C -0.804 176.974 177.584 0.323 0.000 1.471 193 A CA -0.545 51.585 52.037 0.155 0.000 1.134 193 A CB -0.695 18.350 19.000 0.075 0.000 1.129 193 A HN 0.430 nan 8.150 nan 0.000 0.539 194 F N 2.816 122.802 119.950 0.061 0.000 2.495 194 F HA 0.055 4.582 4.527 -0.001 0.000 0.370 194 F C 1.461 177.235 175.800 -0.043 0.000 1.117 194 F CA 0.033 58.040 58.000 0.011 0.000 1.060 194 F CB -0.624 38.366 39.000 -0.018 0.000 1.065 194 F HN 0.599 nan 8.300 nan 0.000 0.571 195 S N 1.534 117.296 115.700 0.102 0.000 2.652 195 S HA 0.500 4.969 4.470 -0.001 0.000 0.270 195 S C 0.244 174.805 174.600 -0.065 0.000 1.243 195 S CA -1.024 57.122 58.200 -0.089 0.000 0.999 195 S CB 1.293 64.466 63.200 -0.045 0.000 0.973 195 S HN 0.378 nan 8.310 nan 0.000 0.544 196 S N 0.796 116.401 115.700 -0.158 0.000 2.565 196 S HA 0.704 5.173 4.470 -0.001 0.000 0.276 196 S C 0.044 174.750 174.600 0.177 0.000 1.326 196 S CA -0.188 58.023 58.200 0.019 0.000 1.045 196 S CB 0.624 63.835 63.200 0.018 0.000 0.918 196 S HN 1.171 nan 8.310 nan 0.000 0.505 197 A N 3.574 126.463 122.820 0.116 0.000 2.612 197 A HA 0.708 5.028 4.320 -0.001 0.000 0.293 197 A C -2.550 175.102 177.584 0.114 0.000 1.075 197 A CA -1.337 50.777 52.037 0.128 0.000 0.680 197 A CB 0.356 19.414 19.000 0.096 0.000 1.279 197 A HN 0.483 nan 8.150 nan 0.000 0.411 198 P HA -0.136 nan 4.420 nan 0.000 0.216 198 P C 0.851 178.235 177.300 0.139 0.000 1.154 198 P CA 1.378 64.586 63.100 0.181 0.000 0.865 198 P CB 0.125 31.992 31.700 0.279 0.000 0.789 199 R N -0.801 119.781 120.500 0.135 0.000 2.423 199 R HA 0.411 4.751 4.340 -0.001 0.000 0.248 199 R C 0.629 176.932 176.300 0.005 0.000 1.019 199 R CA 0.222 56.355 56.100 0.055 0.000 1.119 199 R CB -0.321 29.990 30.300 0.017 0.000 1.176 199 R HN 0.198 nan 8.270 nan 0.000 0.526 200 G N 0.825 109.630 108.800 0.008 0.000 2.541 200 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.686 200 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.686 200 G C -2.849 172.028 174.900 -0.037 0.000 1.286 200 G CA -1.454 43.637 45.100 -0.014 0.000 0.894 200 G HN -0.106 nan 8.290 nan 0.000 0.575 201 P HA 0.336 nan 4.420 nan 0.000 0.262 201 P C 1.156 178.326 177.300 -0.216 0.000 1.182 201 P CA 2.065 65.155 63.100 -0.016 0.000 0.761 201 P CB 0.550 32.311 31.700 0.102 0.000 0.795 202 G N 3.127 111.734 108.800 -0.321 0.000 2.269 202 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.277 202 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.277 202 G C 1.204 175.720 174.900 -0.641 0.000 1.008 202 G CA 0.516 45.139 45.100 -0.794 0.000 0.774 202 G HN 0.678 nan 8.290 nan 0.000 0.511 203 A N -0.348 122.278 122.820 -0.323 0.000 1.933 203 A HA 0.106 4.425 4.320 -0.001 0.000 0.218 203 A C 2.398 179.876 177.584 -0.177 0.000 1.175 203 A CA 1.731 53.638 52.037 -0.217 0.000 0.628 203 A CB -0.253 18.691 19.000 -0.093 0.000 0.814 203 A HN 0.706 nan 8.150 nan 0.000 0.444 204 I N -1.084 119.406 120.570 -0.133 0.000 2.142 204 I HA -0.243 3.927 4.170 -0.001 0.000 0.240 204 I C 2.373 178.407 176.117 -0.139 0.000 1.078 204 I CA 1.513 62.767 61.300 -0.077 0.000 1.343 204 I CB -0.310 37.683 38.000 -0.012 0.000 1.046 204 I HN 0.341 nan 8.210 nan 0.000 0.405 205 I N 0.933 121.336 120.570 -0.278 0.000 2.315 205 I HA -0.227 3.943 4.170 -0.001 0.000 0.248 205 I C 2.625 178.503 176.117 -0.399 0.000 1.117 205 I CA 1.502 62.556 61.300 -0.411 0.000 1.404 205 I CB -0.455 37.055 38.000 -0.816 0.000 1.071 205 I HN 0.059 nan 8.210 nan 0.000 0.419 206 R N 0.265 120.486 120.500 -0.466 0.000 2.080 206 R HA -0.176 4.163 4.340 -0.001 0.000 0.236 206 R C 2.007 178.243 176.300 -0.107 0.000 1.137 206 R CA 1.775 57.682 56.100 -0.322 0.000 0.943 206 R CB -0.704 29.396 30.300 -0.333 0.000 0.846 206 R HN 0.418 nan 8.270 nan 0.000 0.431 207 N N 0.460 119.101 118.700 -0.098 0.000 2.309 207 N HA -0.098 4.641 4.740 -0.001 0.000 0.182 207 N C 1.588 177.117 175.510 0.031 0.000 1.018 207 N CA 1.271 54.301 53.050 -0.034 0.000 0.876 207 N CB -0.191 38.265 38.487 -0.052 0.000 0.972 207 N HN 0.248 nan 8.380 nan 0.000 0.434 208 A N 0.604 123.466 122.820 0.070 0.000 1.855 208 A HA -0.036 4.284 4.320 -0.001 0.000 0.215 208 A C 2.088 179.839 177.584 0.279 0.000 1.191 208 A CA 0.804 52.952 52.037 0.184 0.000 0.613 208 A CB -1.052 18.048 19.000 0.168 0.000 0.829 208 A HN 0.191 nan 8.150 nan 0.000 0.442 209 F N 0.299 120.246 119.950 -0.006 0.000 2.120 209 F HA -0.259 4.268 4.527 -0.001 0.000 0.300 209 F C 2.810 178.633 175.800 0.038 0.000 1.095 209 F CA 1.155 59.163 58.000 0.012 0.000 1.249 209 F CB -0.112 38.847 39.000 -0.068 0.000 0.995 209 F HN 0.300 nan 8.300 nan 0.000 0.480 210 A N 0.823 123.751 122.820 0.179 0.000 1.873 210 A HA -0.224 4.096 4.320 -0.001 0.000 0.215 210 A C 2.167 179.768 177.584 0.029 0.000 1.186 210 A CA 1.836 53.922 52.037 0.082 0.000 0.616 210 A CB -0.792 18.227 19.000 0.033 0.000 0.823 210 A HN 0.497 nan 8.150 nan 0.000 0.442 211 R N -2.286 118.208 120.500 -0.010 0.000 2.148 211 R HA -0.081 4.258 4.340 -0.001 0.000 0.227 211 R C 1.129 177.306 176.300 -0.204 0.000 1.103 211 R CA 1.589 57.612 56.100 -0.129 0.000 0.983 211 R CB -0.601 29.577 30.300 -0.203 0.000 0.874 211 R HN 0.469 nan 8.270 nan 0.000 0.451 212 Y N 0.919 121.193 120.300 -0.043 0.000 2.462 212 Y HA 0.260 4.810 4.550 -0.001 0.000 0.293 212 Y C 1.417 177.275 175.900 -0.069 0.000 1.195 212 Y CA 0.657 58.715 58.100 -0.069 0.000 1.276 212 Y CB 0.586 38.978 38.460 -0.112 0.000 1.082 212 Y HN 0.478 nan 8.280 nan 0.000 0.514 213 G N 0.026 108.858 108.800 0.053 0.000 2.157 213 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.248 213 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.248 213 G C -0.006 174.917 174.900 0.038 0.000 0.979 213 G CA 0.025 45.144 45.100 0.033 0.000 0.650 213 G HN 0.262 nan 8.290 nan 0.000 0.529 214 L N 0.568 121.817 121.223 0.043 0.000 2.399 214 L HA 0.558 4.898 4.340 -0.001 0.000 0.265 214 L C -1.337 175.631 176.870 0.163 0.000 1.089 214 L CA -2.382 52.493 54.840 0.059 0.000 0.802 214 L CB 0.676 42.675 42.059 -0.100 0.000 1.180 214 L HN -0.089 nan 8.230 nan 0.000 0.454 215 P HA 0.065 nan 4.420 nan 0.000 0.275 215 P C -0.757 176.688 177.300 0.242 0.000 1.270 215 P CA -0.605 62.601 63.100 0.178 0.000 0.791 215 P CB 0.314 32.105 31.700 0.151 0.000 1.089 216 E N 1.139 121.418 120.200 0.131 0.000 2.452 216 E HA 0.019 4.369 4.350 -0.001 0.000 0.261 216 E C -1.824 174.770 176.600 -0.011 0.000 0.987 216 E CA -0.853 55.579 56.400 0.052 0.000 0.926 216 E CB -0.688 29.037 29.700 0.041 0.000 0.934 216 E HN 0.323 nan 8.360 nan 0.000 0.452 217 P HA 0.011 nan 4.420 nan 0.000 0.268 217 P C -0.572 176.716 177.300 -0.019 0.000 1.204 217 P CA 0.211 62.992 63.100 -0.532 0.000 0.768 217 P CB 0.461 31.459 31.700 -1.170 0.000 0.842 218 K N 2.208 122.693 120.400 0.141 0.000 2.379 218 K HA 0.177 4.497 4.320 -0.001 0.000 0.284 218 K C 0.253 176.883 176.600 0.051 0.000 1.044 218 K CA -0.609 55.744 56.287 0.110 0.000 0.974 218 K CB 0.118 32.690 32.500 0.120 0.000 0.962 218 K HN 0.342 nan 8.250 nan 0.000 0.474 219 L N 3.056 124.189 121.223 -0.151 0.000 2.367 219 L HA 0.197 4.537 4.340 -0.001 0.000 0.275 219 L C 0.887 177.610 176.870 -0.244 0.000 1.129 219 L CA 0.766 55.346 54.840 -0.433 0.000 0.839 219 L CB 1.020 42.764 42.059 -0.525 0.000 1.133 219 L HN 0.759 nan 8.230 nan 0.000 0.453 220 G N 5.197 113.852 108.800 -0.241 0.000 2.570 220 G HA2 0.352 4.311 3.960 -0.001 0.000 0.209 220 G HA3 0.352 4.311 3.960 -0.001 0.000 0.209 220 G C -0.225 174.586 174.900 -0.150 0.000 1.168 220 G CA 0.775 45.789 45.100 -0.143 0.000 0.831 220 G HN 0.721 nan 8.290 nan 0.000 0.564 221 L N -2.865 118.253 121.223 -0.176 0.000 2.838 221 L HA 0.740 5.080 4.340 -0.001 0.000 0.266 221 L C -1.357 175.443 176.870 -0.116 0.000 1.040 221 L CA -1.366 53.394 54.840 -0.132 0.000 0.906 221 L CB 1.693 43.706 42.059 -0.075 0.000 1.501 221 L HN -0.141 nan 8.230 nan 0.000 0.407 222 V N 0.615 120.493 119.914 -0.061 0.000 2.347 222 V HA 0.495 4.614 4.120 -0.001 0.000 0.280 222 V C -0.425 175.661 176.094 -0.013 0.000 1.021 222 V CA -0.253 62.051 62.300 0.007 0.000 0.847 222 V CB 1.163 33.003 31.823 0.029 0.000 0.990 222 V HN 0.932 nan 8.190 nan 0.000 0.444 223 C N 5.489 124.777 119.300 -0.020 0.000 2.335 223 C HA 0.438 4.898 4.460 -0.001 0.000 0.318 223 C C 1.332 176.229 174.990 -0.154 0.000 1.150 223 C CA -0.412 58.562 59.018 -0.073 0.000 1.466 223 C CB -0.260 27.438 27.740 -0.071 0.000 2.024 223 C HN 1.026 nan 8.230 nan 0.000 0.429 224 E N 1.840 121.963 120.200 -0.129 0.000 2.230 224 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 224 E C 0.973 177.450 176.600 -0.205 0.000 0.987 224 E CA 0.286 56.586 56.400 -0.166 0.000 0.841 224 E CB 0.161 29.818 29.700 -0.072 0.000 0.783 224 E HN 0.642 nan 8.360 nan 0.000 0.481 225 S N 0.452 116.075 115.700 -0.129 0.000 2.443 225 S HA 0.045 4.514 4.470 -0.001 0.000 0.284 225 S C 0.479 175.027 174.600 -0.088 0.000 1.206 225 S CA -0.480 57.684 58.200 -0.061 0.000 1.074 225 S CB -0.070 63.125 63.200 -0.008 0.000 0.963 225 S HN 0.044 nan 8.310 nan 0.000 0.501 226 F N 3.931 123.910 119.950 0.048 0.000 2.365 226 F HA 0.040 4.567 4.527 -0.001 0.000 0.300 226 F C 1.746 177.585 175.800 0.064 0.000 1.090 226 F CA 0.501 58.536 58.000 0.059 0.000 1.408 226 F CB -0.325 38.711 39.000 0.060 0.000 1.060 226 F HN 0.600 nan 8.300 nan 0.000 0.534 227 L N 0.181 121.531 121.223 0.211 0.000 2.046 227 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 227 L C 2.328 179.281 176.870 0.138 0.000 1.077 227 L CA 2.000 56.935 54.840 0.158 0.000 0.747 227 L CB -0.837 41.290 42.059 0.113 0.000 0.896 227 L HN 0.029 nan 8.230 nan 0.000 0.432 228 A N -1.173 121.699 122.820 0.087 0.000 2.021 228 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 228 A C 2.124 179.719 177.584 0.019 0.000 1.163 228 A CA 1.104 53.170 52.037 0.049 0.000 0.676 228 A CB -0.757 18.250 19.000 0.012 0.000 0.818 228 A HN 0.433 nan 8.150 nan 0.000 0.453 229 L N 0.588 121.834 121.223 0.037 0.000 2.013 229 L HA -0.085 4.254 4.340 -0.001 0.000 0.212 229 L C -0.743 176.141 176.870 0.022 0.000 1.073 229 L CA 2.457 57.313 54.840 0.026 0.000 0.753 229 L CB -1.141 40.951 42.059 0.056 0.000 0.890 229 L HN 0.162 nan 8.230 nan 0.000 0.432 230 P HA -0.079 nan 4.420 nan 0.000 0.215 230 P C 1.607 178.755 177.300 -0.253 0.000 1.157 230 P CA 1.749 64.874 63.100 0.042 0.000 0.863 230 P CB -0.365 31.455 31.700 0.201 0.000 0.787 231 G N -0.433 107.988 108.800 -0.631 0.000 2.432 231 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.219 231 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.219 231 G C 1.623 176.222 174.900 -0.500 0.000 1.135 231 G CA 0.534 44.771 45.100 -1.439 0.000 0.767 231 G HN 0.147 nan 8.290 nan 0.000 0.550 232 V N 0.434 120.201 119.914 -0.245 0.000 2.343 232 V HA -0.148 3.972 4.120 -0.001 0.000 0.247 232 V C 2.972 179.020 176.094 -0.077 0.000 1.051 232 V CA 1.445 63.682 62.300 -0.106 0.000 1.036 232 V CB -0.188 31.595 31.823 -0.067 0.000 0.654 232 V HN 0.251 nan 8.190 nan 0.000 0.451 233 V N 0.094 119.955 119.914 -0.087 0.000 2.667 233 V HA -0.118 4.002 4.120 -0.001 0.000 0.252 233 V C 2.532 178.580 176.094 -0.076 0.000 1.065 233 V CA 1.532 63.798 62.300 -0.055 0.000 1.083 233 V CB -0.711 31.099 31.823 -0.023 0.000 0.692 233 V HN 0.545 nan 8.190 nan 0.000 0.468 234 A N -0.812 121.909 122.820 -0.165 0.000 2.014 234 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 234 A C 1.595 178.981 177.584 -0.330 0.000 1.163 234 A CA 1.189 53.082 52.037 -0.240 0.000 0.652 234 A CB -0.517 18.274 19.000 -0.348 0.000 0.808 234 A HN 0.699 nan 8.150 nan 0.000 0.449 235 H N -0.636 118.375 119.070 -0.098 0.000 2.503 235 H HA 0.395 4.951 4.556 -0.001 0.000 0.296 235 H C 0.208 175.508 175.328 -0.047 0.000 1.097 235 H CA 0.397 56.411 56.048 -0.057 0.000 1.055 235 H CB 0.271 29.993 29.762 -0.067 0.000 1.580 235 H HN 0.500 nan 8.280 nan 0.000 0.546 236 S N -1.541 114.173 115.700 0.023 0.000 2.672 236 S HA 0.192 4.661 4.470 -0.001 0.000 0.271 236 S C -0.550 174.053 174.600 0.004 0.000 1.171 236 S CA -0.939 57.266 58.200 0.008 0.000 0.817 236 S CB 1.610 64.809 63.200 -0.003 0.000 1.150 236 S HN 0.013 nan 8.310 nan 0.000 0.478 237 D N 0.639 121.036 120.400 -0.005 0.000 2.368 237 D HA 0.350 4.989 4.640 -0.001 0.000 0.218 237 D C -0.042 176.319 176.300 0.102 0.000 1.112 237 D CA 0.038 54.051 54.000 0.023 0.000 0.834 237 D CB -0.076 40.664 40.800 -0.100 0.000 0.953 237 D HN 0.438 nan 8.370 nan 0.000 0.505 238 L N 1.039 122.261 121.223 -0.001 0.000 2.380 238 L HA 0.222 4.562 4.340 -0.001 0.000 0.273 238 L C 0.637 177.396 176.870 -0.185 0.000 1.138 238 L CA -0.193 54.590 54.840 -0.094 0.000 0.832 238 L CB 0.964 42.983 42.059 -0.067 0.000 1.124 238 L HN -0.254 nan 8.230 nan 0.000 0.454 239 L N 2.005 122.966 121.223 -0.437 0.000 2.399 239 L HA 0.588 4.928 4.340 -0.001 0.000 0.265 239 L C 0.262 177.054 176.870 -0.130 0.000 1.089 239 L CA -0.134 54.383 54.840 -0.539 0.000 0.802 239 L CB 1.744 43.085 42.059 -1.198 0.000 1.180 239 L HN 0.613 nan 8.230 nan 0.000 0.454 240 T N -0.377 114.234 114.554 0.095 0.000 2.841 240 T HA 0.529 4.878 4.350 -0.001 0.000 0.296 240 T C -0.816 174.093 174.700 0.348 0.000 1.166 240 T CA -0.403 61.898 62.100 0.336 0.000 1.007 240 T CB 1.878 70.867 68.868 0.200 0.000 1.253 240 T HN 0.767 nan 8.240 nan 0.000 0.511 241 T N 0.837 115.574 114.554 0.305 0.000 2.888 241 T HA 0.811 5.160 4.350 -0.001 0.000 0.284 241 T C -0.218 174.622 174.700 0.233 0.000 1.017 241 T CA -0.829 61.401 62.100 0.216 0.000 1.022 241 T CB 1.130 70.088 68.868 0.149 0.000 1.013 241 T HN 0.898 nan 8.240 nan 0.000 0.465 242 M N -0.413 119.307 119.600 0.202 0.000 2.644 242 M HA 0.648 5.127 4.480 -0.001 0.000 0.273 242 M C -3.292 173.082 176.300 0.123 0.000 1.253 242 M CA -2.384 53.061 55.300 0.242 0.000 0.852 242 M CB 1.350 34.125 32.600 0.291 0.000 1.708 242 M HN 0.203 nan 8.290 nan 0.000 0.471 243 P HA 0.125 nan 4.420 nan 0.000 0.266 243 P C -0.070 177.285 177.300 0.092 0.000 1.195 243 P CA -0.034 63.079 63.100 0.021 0.000 0.768 243 P CB 0.584 32.240 31.700 -0.073 0.000 0.838 244 R N 2.055 122.617 120.500 0.104 0.000 2.117 244 R HA -0.169 4.170 4.340 -0.001 0.000 0.243 244 R C 1.416 177.817 176.300 0.167 0.000 1.143 244 R CA 2.203 58.395 56.100 0.154 0.000 0.968 244 R CB -0.704 29.670 30.300 0.124 0.000 0.863 244 R HN 0.418 nan 8.270 nan 0.000 0.444 245 T N 1.398 116.015 114.554 0.105 0.000 2.746 245 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 245 T C 1.616 176.355 174.700 0.065 0.000 1.039 245 T CA 1.190 63.332 62.100 0.070 0.000 1.142 245 T CB -0.195 68.701 68.868 0.047 0.000 0.866 245 T HN 0.146 nan 8.240 nan 0.000 0.444 246 L N 0.497 121.763 121.223 0.071 0.000 2.017 246 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 246 L C 2.131 179.084 176.870 0.139 0.000 1.073 246 L CA 1.710 56.603 54.840 0.088 0.000 0.745 246 L CB -0.916 41.190 42.059 0.079 0.000 0.894 246 L HN 0.329 nan 8.230 nan 0.000 0.432 247 Y N 0.319 120.658 120.300 0.065 0.000 2.274 247 Y HA -0.219 4.331 4.550 -0.001 0.000 0.290 247 Y C 2.284 178.219 175.900 0.058 0.000 1.145 247 Y CA 2.125 60.267 58.100 0.070 0.000 1.203 247 Y CB -0.078 38.421 38.460 0.064 0.000 0.984 247 Y HN 0.416 nan 8.280 nan 0.000 0.533 248 E N -0.406 119.752 120.200 -0.070 0.000 2.340 248 E HA 0.091 4.440 4.350 -0.001 0.000 0.194 248 E C 0.176 176.709 176.600 -0.110 0.000 0.996 248 E CA 0.142 56.449 56.400 -0.156 0.000 0.869 248 E CB 0.271 29.962 29.700 -0.015 0.000 0.835 248 E HN 0.307 nan 8.360 nan 0.000 0.493 249 R N 1.649 122.121 120.500 -0.047 0.000 2.564 249 R HA 0.233 4.572 4.340 -0.001 0.000 0.282 249 R C -1.022 175.281 176.300 0.005 0.000 1.573 249 R CA -0.344 55.741 56.100 -0.026 0.000 1.588 249 R CB 0.288 30.582 30.300 -0.009 0.000 1.154 249 R HN 0.116 nan 8.270 nan 0.000 0.606 250 N N -1.225 117.476 118.700 0.002 0.000 2.571 250 N HA 0.382 5.122 4.740 -0.001 0.000 0.273 250 N C 0.202 175.731 175.510 0.033 0.000 1.340 250 N CA -0.931 52.158 53.050 0.064 0.000 0.789 250 N CB 1.234 39.804 38.487 0.140 0.000 1.514 250 N HN 0.024 nan 8.380 nan 0.000 0.499 251 A N -0.773 122.074 122.820 0.046 0.000 2.206 251 A HA 0.217 4.536 4.320 -0.001 0.000 0.211 251 A C 0.122 177.494 177.584 -0.352 0.000 1.158 251 A CA 0.458 52.388 52.037 -0.178 0.000 0.761 251 A CB -0.841 17.977 19.000 -0.303 0.000 0.801 251 A HN 0.586 nan 8.150 nan 0.000 0.473 252 F N -0.511 119.443 119.950 0.006 0.000 2.735 252 F HA 0.255 4.781 4.527 -0.001 0.000 0.304 252 F C 1.506 177.290 175.800 -0.026 0.000 1.119 252 F CA -0.495 57.505 58.000 0.000 0.000 1.280 252 F CB 0.345 39.357 39.000 0.019 0.000 0.994 252 F HN 0.026 nan 8.300 nan 0.000 0.520 253 K N 0.730 121.160 120.400 0.050 0.000 2.034 253 K HA -0.241 4.079 4.320 -0.001 0.000 0.214 253 K C 1.589 178.185 176.600 -0.008 0.000 1.051 253 K CA 2.139 58.403 56.287 -0.040 0.000 0.931 253 K CB -0.374 32.061 32.500 -0.109 0.000 0.715 253 K HN 0.331 nan 8.250 nan 0.000 0.446 254 D N 0.408 120.808 120.400 0.001 0.000 2.392 254 D HA -0.154 4.485 4.640 -0.001 0.000 0.228 254 D C 0.959 177.281 176.300 0.036 0.000 1.003 254 D CA 1.010 55.017 54.000 0.011 0.000 0.917 254 D CB -0.125 40.673 40.800 -0.002 0.000 0.890 254 D HN 0.334 nan 8.370 nan 0.000 0.532 255 Q N -0.484 119.354 119.800 0.064 0.000 2.194 255 Q HA 0.361 4.701 4.340 -0.001 0.000 0.214 255 Q C 0.031 176.066 176.000 0.059 0.000 0.838 255 Q CA -0.119 55.716 55.803 0.053 0.000 0.972 255 Q CB 1.213 29.984 28.738 0.055 0.000 1.131 255 Q HN 0.266 nan 8.270 nan 0.000 0.498 256 L N 0.115 121.396 121.223 0.096 0.000 2.301 256 L HA 0.644 4.984 4.340 -0.001 0.000 0.264 256 L C -0.448 176.541 176.870 0.198 0.000 1.016 256 L CA -1.261 53.666 54.840 0.146 0.000 0.821 256 L CB 1.945 44.132 42.059 0.213 0.000 1.346 256 L HN 0.095 nan 8.230 nan 0.000 0.429 257 C N -1.205 118.218 119.300 0.206 0.000 2.994 257 C HA 0.865 5.325 4.460 -0.001 0.000 0.304 257 C C 0.128 175.153 174.990 0.059 0.000 1.273 257 C CA -0.843 58.293 59.018 0.197 0.000 1.537 257 C CB 1.268 29.066 27.740 0.096 0.000 2.001 257 C HN 0.846 nan 8.230 nan 0.000 0.471 258 S N 0.816 116.445 115.700 -0.118 0.000 2.617 258 S HA 0.750 5.219 4.470 -0.001 0.000 0.283 258 S C -0.632 173.880 174.600 -0.147 0.000 1.189 258 S CA -0.596 57.392 58.200 -0.355 0.000 1.036 258 S CB 0.624 63.441 63.200 -0.638 0.000 1.014 258 S HN 0.754 nan 8.310 nan 0.000 0.522 259 I N 2.213 122.704 120.570 -0.132 0.000 2.503 259 I HA 0.302 4.472 4.170 -0.001 0.000 0.277 259 I C -2.628 173.458 176.117 -0.051 0.000 1.078 259 I CA -2.191 59.066 61.300 -0.070 0.000 1.184 259 I CB 1.001 38.960 38.000 -0.068 0.000 1.353 259 I HN 0.400 nan 8.210 nan 0.000 0.490 260 P HA 0.283 nan 4.420 nan 0.000 0.280 260 P C -0.515 176.771 177.300 -0.024 0.000 1.300 260 P CA -0.042 63.038 63.100 -0.033 0.000 0.785 260 P CB 0.573 32.258 31.700 -0.024 0.000 0.874 261 L N 2.733 123.940 121.223 -0.026 0.000 2.357 261 L HA 0.306 4.645 4.340 -0.001 0.000 0.273 261 L C 1.774 178.620 176.870 -0.040 0.000 1.080 261 L CA -0.438 54.377 54.840 -0.042 0.000 0.803 261 L CB 1.202 43.222 42.059 -0.065 0.000 1.174 261 L HN 0.366 nan 8.230 nan 0.000 0.443 262 Q N 0.203 119.975 119.800 -0.047 0.000 2.451 262 Q HA -0.025 4.315 4.340 -0.001 0.000 0.206 262 Q C -0.334 175.643 176.000 -0.037 0.000 0.947 262 Q CA 0.263 56.048 55.803 -0.030 0.000 0.937 262 Q CB 0.423 29.147 28.738 -0.023 0.000 1.025 262 Q HN 0.570 nan 8.270 nan 0.000 0.511 263 D N 0.228 120.561 120.400 -0.111 0.000 2.341 263 D HA 0.239 4.879 4.640 -0.001 0.000 0.245 263 D C -0.791 175.492 176.300 -0.029 0.000 1.106 263 D CA 0.096 53.987 54.000 -0.181 0.000 0.905 263 D CB 1.244 41.645 40.800 -0.665 0.000 1.202 263 D HN 0.213 nan 8.370 nan 0.000 0.426 264 A N 2.367 125.286 122.820 0.166 0.000 2.328 264 A HA 0.520 4.839 4.320 -0.001 0.000 0.284 264 A C -0.049 177.636 177.584 0.169 0.000 1.160 264 A CA -0.459 51.669 52.037 0.152 0.000 0.818 264 A CB 0.253 19.345 19.000 0.154 0.000 1.087 264 A HN 0.533 nan 8.150 nan 0.000 0.504 265 L N 2.458 123.739 121.223 0.097 0.000 2.365 265 L HA 0.489 4.829 4.340 -0.001 0.000 0.267 265 L C -1.849 175.066 176.870 0.075 0.000 1.033 265 L CA -2.035 52.859 54.840 0.091 0.000 0.802 265 L CB 0.895 42.992 42.059 0.063 0.000 1.267 265 L HN 0.495 nan 8.230 nan 0.000 0.457 266 P HA 0.215 nan 4.420 nan 0.000 0.274 266 P C -1.464 175.860 177.300 0.039 0.000 1.246 266 P CA -0.485 62.649 63.100 0.058 0.000 0.795 266 P CB 0.364 32.108 31.700 0.073 0.000 1.006 267 N N 0.549 119.265 118.700 0.025 0.000 2.800 267 N HA 0.289 5.028 4.740 -0.001 0.000 0.240 267 N C -2.591 172.895 175.510 -0.040 0.000 1.096 267 N CA -1.266 51.782 53.050 -0.004 0.000 0.877 267 N CB 0.061 38.546 38.487 -0.003 0.000 1.138 267 N HN 0.245 nan 8.380 nan 0.000 0.509 268 P HA 0.001 nan 4.420 nan 0.000 0.262 268 P C -0.450 176.723 177.300 -0.211 0.000 1.199 268 P CA 0.204 63.234 63.100 -0.117 0.000 0.763 268 P CB 0.429 32.067 31.700 -0.103 0.000 0.790 269 T N 5.250 119.667 114.554 -0.229 0.000 2.814 269 T HA 0.228 4.577 4.350 -0.001 0.000 0.297 269 T C 0.599 175.015 174.700 -0.474 0.000 0.956 269 T CA -0.169 61.695 62.100 -0.393 0.000 1.123 269 T CB 0.009 68.634 68.868 -0.406 0.000 0.902 269 T HN 0.135 nan 8.240 nan 0.000 0.528 270 I N 4.109 124.323 120.570 -0.594 0.000 2.371 270 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 270 I C -0.164 175.698 176.117 -0.426 0.000 1.028 270 I CA -0.851 60.186 61.300 -0.438 0.000 1.345 270 I CB -0.112 37.550 38.000 -0.564 0.000 1.407 270 I HN 0.589 nan 8.210 nan 0.000 0.501 271 Y N 4.107 124.343 120.300 -0.107 0.000 2.468 271 Y HA 0.441 4.991 4.550 -0.001 0.000 0.342 271 Y C 0.248 176.141 175.900 -0.011 0.000 1.021 271 Y CA -0.936 57.118 58.100 -0.076 0.000 1.079 271 Y CB 1.878 40.266 38.460 -0.120 0.000 1.226 271 Y HN 0.190 nan 8.280 nan 0.000 0.460 272 V N 5.021 125.034 119.914 0.165 0.000 2.455 272 V HA 0.184 4.303 4.120 -0.001 0.000 0.273 272 V C -0.228 175.941 176.094 0.125 0.000 1.045 272 V CA -0.282 62.095 62.300 0.129 0.000 0.976 272 V CB 0.027 31.858 31.823 0.012 0.000 0.993 272 V HN 0.489 nan 8.190 nan 0.000 0.475 273 L N 7.528 128.842 121.223 0.151 0.000 2.333 273 L HA 0.781 5.121 4.340 -0.001 0.000 0.280 273 L C -0.043 176.923 176.870 0.159 0.000 1.004 273 L CA -0.634 54.262 54.840 0.094 0.000 0.820 273 L CB 1.690 43.778 42.059 0.048 0.000 1.247 273 L HN 0.741 nan 8.230 nan 0.000 0.416 274 R N 1.664 122.236 120.500 0.119 0.000 2.710 274 R HA 0.533 4.872 4.340 -0.001 0.000 0.270 274 R C -1.033 175.344 176.300 0.128 0.000 1.021 274 R CA -1.111 55.082 56.100 0.155 0.000 0.889 274 R CB 1.753 32.157 30.300 0.174 0.000 1.243 274 R HN 0.409 nan 8.270 nan 0.000 0.464 275 R N 1.129 121.712 120.500 0.139 0.000 2.401 275 R HA 0.013 4.352 4.340 -0.001 0.000 0.299 275 R C 0.527 176.930 176.300 0.171 0.000 1.064 275 R CA 0.129 56.308 56.100 0.131 0.000 1.000 275 R CB 0.367 30.732 30.300 0.109 0.000 0.973 275 R HN 0.799 nan 8.270 nan 0.000 0.438 276 H N 2.857 121.951 119.070 0.039 0.000 2.462 276 H HA -0.090 4.465 4.556 -0.001 0.000 0.292 276 H C 0.284 175.633 175.328 0.035 0.000 1.049 276 H CA 1.411 57.478 56.048 0.032 0.000 1.334 276 H CB 0.667 30.439 29.762 0.016 0.000 1.404 276 H HN 0.707 nan 8.280 nan 0.000 0.544 277 D N 0.801 121.178 120.400 -0.038 0.000 2.178 277 D HA -0.083 4.557 4.640 -0.001 0.000 0.201 277 D C 0.639 176.892 176.300 -0.077 0.000 0.980 277 D CA 0.423 54.352 54.000 -0.119 0.000 0.842 277 D CB -0.081 40.690 40.800 -0.047 0.000 0.948 277 D HN 0.275 nan 8.370 nan 0.000 0.472 278 L N 1.712 122.945 121.223 0.017 0.000 2.410 278 L HA 0.202 4.541 4.340 -0.001 0.000 0.273 278 L C -1.922 175.015 176.870 0.112 0.000 1.152 278 L CA -1.628 53.257 54.840 0.075 0.000 0.855 278 L CB 0.251 42.388 42.059 0.129 0.000 1.129 278 L HN -0.176 nan 8.230 nan 0.000 0.463 279 P HA 0.101 nan 4.420 nan 0.000 0.271 279 P C -0.697 176.833 177.300 0.383 0.000 1.216 279 P CA -0.227 63.016 63.100 0.238 0.000 0.771 279 P CB 0.900 32.728 31.700 0.214 0.000 0.864 280 V N 3.428 123.501 119.914 0.264 0.000 2.439 280 V HA 0.226 4.346 4.120 -0.001 0.000 0.282 280 V C 0.835 176.939 176.094 0.016 0.000 1.039 280 V CA -0.407 61.975 62.300 0.136 0.000 0.913 280 V CB 1.223 33.069 31.823 0.039 0.000 0.983 280 V HN 0.710 nan 8.190 nan 0.000 0.460 281 T N 3.702 118.092 114.554 -0.274 0.000 2.926 281 T HA 0.172 4.522 4.350 -0.001 0.000 0.307 281 T C -1.598 172.932 174.700 -0.284 0.000 1.059 281 T CA -1.207 60.542 62.100 -0.586 0.000 1.122 281 T CB 1.064 69.416 68.868 -0.860 0.000 0.972 281 T HN 0.441 nan 8.240 nan 0.000 0.545 282 P HA -0.188 nan 4.420 nan 0.000 0.217 282 P C 1.708 178.834 177.300 -0.290 0.000 1.158 282 P CA 1.974 65.035 63.100 -0.065 0.000 0.887 282 P CB -0.309 31.457 31.700 0.111 0.000 0.792 283 A N -0.412 122.133 122.820 -0.458 0.000 1.902 283 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 283 A C 2.339 179.660 177.584 -0.438 0.000 1.181 283 A CA 2.209 53.738 52.037 -0.847 0.000 0.623 283 A CB -1.584 17.200 19.000 -0.360 0.000 0.818 283 A HN 0.204 nan 8.150 nan 0.000 0.443 284 A N -0.033 122.610 122.820 -0.295 0.000 1.883 284 A HA 0.104 4.423 4.320 -0.001 0.000 0.217 284 A C 2.530 179.910 177.584 -0.339 0.000 1.186 284 A CA 2.325 54.228 52.037 -0.224 0.000 0.624 284 A CB -1.121 17.811 19.000 -0.114 0.000 0.822 284 A HN 1.126 nan 8.150 nan 0.000 0.444 285 A N -0.610 122.041 122.820 -0.281 0.000 1.933 285 A HA 0.114 4.433 4.320 -0.001 0.000 0.218 285 A C 2.396 179.860 177.584 -0.200 0.000 1.175 285 A CA 1.983 53.877 52.037 -0.237 0.000 0.628 285 A CB -1.356 17.558 19.000 -0.142 0.000 0.814 285 A HN 0.740 nan 8.150 nan 0.000 0.444 286 G N -0.173 108.502 108.800 -0.208 0.000 2.421 286 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.216 286 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.216 286 G C 1.484 176.465 174.900 0.136 0.000 1.171 286 G CA 1.158 46.233 45.100 -0.043 0.000 0.775 286 G HN 0.494 nan 8.290 nan 0.000 0.543 287 L N 0.768 121.993 121.223 0.002 0.000 2.042 287 L HA 0.023 4.362 4.340 -0.001 0.000 0.210 287 L C 2.675 179.477 176.870 -0.113 0.000 1.076 287 L CA 1.384 56.140 54.840 -0.140 0.000 0.749 287 L CB -0.412 41.237 42.059 -0.683 0.000 0.893 287 L HN 0.282 nan 8.230 nan 0.000 0.432 288 I N -0.800 119.614 120.570 -0.260 0.000 2.179 288 I HA -0.328 3.841 4.170 -0.001 0.000 0.242 288 I C 2.652 178.706 176.117 -0.105 0.000 1.088 288 I CA 1.364 62.510 61.300 -0.257 0.000 1.357 288 I CB -0.361 37.385 38.000 -0.423 0.000 1.051 288 I HN 0.225 nan 8.210 nan 0.000 0.409 289 R N -0.278 120.151 120.500 -0.118 0.000 2.096 289 R HA -0.229 4.110 4.340 -0.001 0.000 0.240 289 R C 2.178 178.419 176.300 -0.098 0.000 1.139 289 R CA 2.242 58.248 56.100 -0.156 0.000 0.952 289 R CB -0.502 29.636 30.300 -0.271 0.000 0.854 289 R HN 0.418 nan 8.270 nan 0.000 0.436 290 W N 0.586 121.939 121.300 0.089 0.000 2.381 290 W HA -0.054 4.606 4.660 -0.001 0.000 0.301 290 W C 2.055 178.722 176.519 0.247 0.000 1.205 290 W CA 0.374 57.836 57.345 0.195 0.000 1.285 290 W CB -0.208 29.391 29.460 0.233 0.000 1.133 290 W HN 0.009 nan 8.180 nan 0.000 0.521 291 I N -0.090 120.684 120.570 0.339 0.000 2.179 291 I HA -0.352 3.818 4.170 -0.001 0.000 0.242 291 I C 2.556 178.781 176.117 0.180 0.000 1.088 291 I CA 1.472 62.912 61.300 0.233 0.000 1.357 291 I CB -0.702 37.377 38.000 0.132 0.000 1.051 291 I HN -0.024 nan 8.210 nan 0.000 0.409 292 Q N 0.699 120.565 119.800 0.110 0.000 2.045 292 Q HA -0.329 4.011 4.340 -0.001 0.000 0.206 292 Q C 2.171 178.201 176.000 0.051 0.000 0.991 292 Q CA 2.194 58.030 55.803 0.055 0.000 0.851 292 Q CB -0.520 28.219 28.738 0.002 0.000 0.911 292 Q HN 0.572 nan 8.270 nan 0.000 0.418 293 H N -1.254 117.802 119.070 -0.024 0.000 2.426 293 H HA -0.137 4.419 4.556 -0.001 0.000 0.298 293 H C 0.796 176.005 175.328 -0.198 0.000 1.107 293 H CA 2.276 58.251 56.048 -0.121 0.000 1.298 293 H CB -0.101 29.578 29.762 -0.139 0.000 1.377 293 H HN 0.528 nan 8.280 nan 0.000 0.519 294 H N -1.420 117.670 119.070 0.032 0.000 2.517 294 H HA 0.484 5.040 4.556 -0.001 0.000 0.282 294 H C 0.297 175.548 175.328 -0.129 0.000 1.023 294 H CA 0.486 56.501 56.048 -0.054 0.000 1.169 294 H CB 0.697 30.491 29.762 0.053 0.000 1.454 294 H HN 0.363 nan 8.280 nan 0.000 0.556 295 A N 1.134 123.905 122.820 -0.083 0.000 3.041 295 A HA 0.353 4.673 4.320 -0.001 0.000 0.307 295 A C -0.219 177.248 177.584 -0.195 0.000 1.116 295 A CA -0.339 51.551 52.037 -0.245 0.000 1.001 295 A CB -0.345 18.528 19.000 -0.211 0.000 1.112 295 A HN 0.205 nan 8.150 nan 0.000 0.556 296 L N 0.000 121.119 121.223 -0.174 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 296 L CA 0.000 54.767 54.840 -0.122 0.000 0.813 296 L CB 0.000 41.969 42.059 -0.150 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502