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 1w5e_1_A DATA FIRST_RESID 23 DATA SEQUENCE SPEDKELLEY LQQTKAKITV VGCGGAGNNT ITRLKMEGIE GAKTVAINTD DATA SEQUENCE AQQLIRTKAD KKILIGKKLT RGLGAGGNPK IGEEAAKESA EEIKAAIQDS DATA SEQUENCE DMVFITCGLG GGTGTGSAPV VAEISKKIGA LTVAVVTLPF VMEGKVRMKN DATA SEQUENCE AMEGLERLKQ HTDTLVVIPN EKLFEIVPNM PLKLAFKVAD EVLINAVKGL DATA SEQUENCE VELITKDGLI NVDFADVKAV MNNGGLAMIG IGESDSEKRA KEAVSMALNS DATA SEQUENCE PLLDVDIDGA TGALIHVMGP EDLTLEEARE VVATVSSRLD PNATIIYGAT DATA SEQUENCE IDENLENTVR VLLVITGVQS RIEFTDTGLK RK 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.604 174.600 0.006 0.000 1.055 23 S CA 0.000 58.203 58.200 0.005 0.000 1.107 23 S CB 0.000 63.203 63.200 0.005 0.000 0.593 24 P HA -0.031 nan 4.420 nan 0.000 0.215 24 P C 1.294 178.598 177.300 0.008 0.000 1.157 24 P CA 1.048 64.152 63.100 0.006 0.000 0.863 24 P CB 0.157 31.860 31.700 0.004 0.000 0.787 25 E N -0.585 119.618 120.200 0.005 0.000 2.072 25 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 25 E C 1.334 177.940 176.600 0.009 0.000 0.985 25 E CA 1.224 57.626 56.400 0.004 0.000 0.801 25 E CB -0.231 29.470 29.700 0.001 0.000 0.750 25 E HN 0.133 nan 8.360 nan 0.000 0.452 26 D N 0.282 120.689 120.400 0.011 0.000 2.091 26 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 26 D C 1.834 178.147 176.300 0.022 0.000 0.980 26 D CA 0.948 54.958 54.000 0.016 0.000 0.831 26 D CB -0.296 40.511 40.800 0.012 0.000 0.987 26 D HN -0.027 nan 8.370 nan 0.000 0.460 27 K N 1.118 121.529 120.400 0.018 0.000 2.107 27 K HA -0.239 4.081 4.320 -0.000 0.000 0.211 27 K C 1.868 178.486 176.600 0.029 0.000 1.049 27 K CA 1.707 58.006 56.287 0.019 0.000 0.927 27 K CB -0.203 32.306 32.500 0.014 0.000 0.714 27 K HN 0.171 nan 8.250 nan 0.000 0.452 28 E N -0.510 119.708 120.200 0.030 0.000 2.204 28 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 28 E C 1.846 178.486 176.600 0.068 0.000 0.989 28 E CA 0.846 57.270 56.400 0.040 0.000 0.824 28 E CB -0.008 29.707 29.700 0.025 0.000 0.756 28 E HN 0.323 nan 8.360 nan 0.000 0.477 29 L N 0.724 121.984 121.223 0.062 0.000 2.023 29 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 29 L C 2.557 179.504 176.870 0.128 0.000 1.073 29 L CA 0.463 55.362 54.840 0.097 0.000 0.745 29 L CB -0.520 41.576 42.059 0.061 0.000 0.900 29 L HN 0.328 nan 8.230 nan 0.000 0.435 30 L N 0.602 121.868 121.223 0.071 0.000 1.978 30 L HA -0.325 4.015 4.340 -0.000 0.000 0.218 30 L C 2.364 179.257 176.870 0.037 0.000 1.075 30 L CA 2.421 57.288 54.840 0.045 0.000 0.767 30 L CB -0.805 41.269 42.059 0.025 0.000 0.890 30 L HN 0.480 nan 8.230 nan 0.000 0.434 31 E N -1.200 119.028 120.200 0.045 0.000 2.049 31 E HA -0.343 4.007 4.350 -0.000 0.000 0.198 31 E C 2.271 178.890 176.600 0.032 0.000 1.007 31 E CA 2.014 58.433 56.400 0.033 0.000 0.809 31 E CB -0.565 29.161 29.700 0.044 0.000 0.749 31 E HN 0.611 nan 8.360 nan 0.000 0.450 32 Y N 1.309 121.605 120.300 -0.007 0.000 2.139 32 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 32 Y C 1.961 177.854 175.900 -0.012 0.000 1.179 32 Y CA 1.831 59.926 58.100 -0.008 0.000 1.161 32 Y CB -0.514 37.942 38.460 -0.006 0.000 0.970 32 Y HN 0.096 nan 8.280 nan 0.000 0.511 33 L N 0.093 121.171 121.223 -0.242 0.000 1.932 33 L HA -0.345 3.995 4.340 -0.000 0.000 0.217 33 L C 2.637 179.344 176.870 -0.271 0.000 1.077 33 L CA 2.280 56.940 54.840 -0.299 0.000 0.765 33 L CB -0.728 41.280 42.059 -0.084 0.000 0.888 33 L HN 0.331 nan 8.230 nan 0.000 0.433 34 Q N -0.558 119.153 119.800 -0.150 0.000 2.197 34 Q HA -0.334 4.006 4.340 -0.000 0.000 0.211 34 Q C 1.890 177.802 176.000 -0.146 0.000 0.993 34 Q CA 2.228 57.957 55.803 -0.123 0.000 0.883 34 Q CB -0.322 28.372 28.738 -0.073 0.000 0.916 34 Q HN 0.634 nan 8.270 nan 0.000 0.418 35 Q N -0.019 119.686 119.800 -0.157 0.000 2.472 35 Q HA -0.042 4.298 4.340 -0.000 0.000 0.208 35 Q C 1.649 177.540 176.000 -0.182 0.000 0.958 35 Q CA 1.424 57.147 55.803 -0.133 0.000 0.932 35 Q CB -0.071 28.622 28.738 -0.075 0.000 1.007 35 Q HN 0.105 nan 8.270 nan 0.000 0.508 36 T N -0.466 113.918 114.554 -0.282 0.000 2.867 36 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 36 T C -0.060 174.535 174.700 -0.174 0.000 1.057 36 T CA 1.436 63.368 62.100 -0.281 0.000 1.136 36 T CB 0.088 68.739 68.868 -0.362 0.000 0.874 36 T HN 0.569 nan 8.240 nan 0.000 0.466 37 K N -0.407 119.888 120.400 -0.175 0.000 2.548 37 K HA 0.792 5.112 4.320 -0.000 0.000 0.282 37 K C -1.195 175.259 176.600 -0.243 0.000 1.006 37 K CA -0.789 55.391 56.287 -0.178 0.000 0.892 37 K CB 0.857 33.270 32.500 -0.146 0.000 1.499 37 K HN -0.070 nan 8.250 nan 0.000 0.433 38 A N 0.708 123.310 122.820 -0.362 0.000 2.293 38 A HA 0.540 4.860 4.320 -0.000 0.000 0.302 38 A C -0.814 176.580 177.584 -0.318 0.000 1.119 38 A CA -0.728 50.994 52.037 -0.525 0.000 0.823 38 A CB 0.256 18.506 19.000 -1.249 0.000 1.097 38 A HN 0.542 nan 8.150 nan 0.000 0.491 39 K N 2.270 122.527 120.400 -0.239 0.000 2.250 39 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 39 K C -0.858 175.702 176.600 -0.067 0.000 1.098 39 K CA -0.218 55.996 56.287 -0.122 0.000 0.916 39 K CB 0.426 32.879 32.500 -0.078 0.000 1.209 39 K HN 0.478 nan 8.250 nan 0.000 0.461 40 I N 2.622 123.172 120.570 -0.033 0.000 2.353 40 I HA 0.218 4.388 4.170 -0.000 0.000 0.293 40 I C 0.295 176.454 176.117 0.071 0.000 0.992 40 I CA -0.416 60.924 61.300 0.067 0.000 1.268 40 I CB 1.244 39.295 38.000 0.085 0.000 1.387 40 I HN 0.396 nan 8.210 nan 0.000 0.478 41 T N 5.469 120.099 114.554 0.127 0.000 2.881 41 T HA 0.449 4.799 4.350 -0.000 0.000 0.291 41 T C -0.210 174.579 174.700 0.149 0.000 0.990 41 T CA -0.438 61.718 62.100 0.094 0.000 0.976 41 T CB 1.970 70.876 68.868 0.062 0.000 0.970 41 T HN 0.222 nan 8.240 nan 0.000 0.438 42 V N 4.269 124.237 119.914 0.090 0.000 2.364 42 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 42 V C -0.059 176.074 176.094 0.066 0.000 1.036 42 V CA -0.611 61.745 62.300 0.093 0.000 0.880 42 V CB 1.302 33.119 31.823 -0.009 0.000 0.991 42 V HN 0.708 nan 8.190 nan 0.000 0.460 43 V N 4.198 124.164 119.914 0.086 0.000 2.417 43 V HA 0.758 4.878 4.120 -0.000 0.000 0.291 43 V C 0.632 176.753 176.094 0.044 0.000 1.024 43 V CA -0.362 61.969 62.300 0.052 0.000 0.861 43 V CB 1.727 33.579 31.823 0.048 0.000 0.985 43 V HN 0.917 nan 8.190 nan 0.000 0.436 44 G N 2.936 111.750 108.800 0.023 0.000 2.478 44 G HA2 0.542 4.502 3.960 -0.000 0.000 0.317 44 G HA3 0.542 4.502 3.960 -0.000 0.000 0.317 44 G C -0.669 174.234 174.900 0.004 0.000 1.259 44 G CA -0.324 44.784 45.100 0.012 0.000 0.933 44 G HN 0.768 nan 8.290 nan 0.000 0.478 45 C N 1.079 120.380 119.300 0.002 0.000 2.391 45 C HA 0.978 5.438 4.460 -0.000 0.000 0.339 45 C C 0.990 175.972 174.990 -0.013 0.000 1.205 45 C CA 0.431 59.447 59.018 -0.003 0.000 1.937 45 C CB 0.453 28.194 27.740 0.002 0.000 2.341 45 C HN 1.603 nan 8.230 nan 0.000 0.516 46 G N 1.851 110.642 108.800 -0.015 0.000 2.846 46 G HA2 0.167 4.127 3.960 -0.000 0.000 0.660 46 G HA3 0.167 4.127 3.960 -0.000 0.000 0.660 46 G C 0.802 175.681 174.900 -0.034 0.000 1.464 46 G CA -0.082 45.004 45.100 -0.023 0.000 0.891 46 G HN 1.536 nan 8.290 nan 0.000 0.552 47 G N 0.002 108.777 108.800 -0.042 0.000 2.503 47 G HA2 0.123 4.083 3.960 -0.000 0.000 0.221 47 G HA3 0.123 4.083 3.960 -0.000 0.000 0.221 47 G C 2.093 176.948 174.900 -0.076 0.000 1.131 47 G CA 3.062 48.129 45.100 -0.055 0.000 0.756 47 G HN 2.043 nan 8.290 nan 0.000 0.572 48 A N 0.841 123.605 122.820 -0.092 0.000 1.841 48 A HA 0.207 4.527 4.320 -0.000 0.000 0.214 48 A C 2.785 180.328 177.584 -0.069 0.000 1.195 48 A CA 2.114 54.085 52.037 -0.110 0.000 0.611 48 A CB -1.247 17.682 19.000 -0.117 0.000 0.835 48 A HN 0.584 nan 8.150 nan 0.000 0.443 49 G N -0.075 108.697 108.800 -0.047 0.000 2.440 49 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 49 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 49 G C 1.391 176.277 174.900 -0.025 0.000 1.154 49 G CA 1.354 46.438 45.100 -0.027 0.000 0.767 49 G HN 0.534 nan 8.290 nan 0.000 0.552 50 N N 0.771 119.455 118.700 -0.027 0.000 2.120 50 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 50 N C 1.984 177.479 175.510 -0.026 0.000 1.024 50 N CA 1.301 54.337 53.050 -0.023 0.000 0.852 50 N CB -0.503 37.971 38.487 -0.022 0.000 1.003 50 N HN 0.396 nan 8.380 nan 0.000 0.424 51 N N -0.168 118.509 118.700 -0.037 0.000 2.149 51 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 51 N C 1.358 176.850 175.510 -0.030 0.000 1.019 51 N CA 1.586 54.614 53.050 -0.037 0.000 0.857 51 N CB -0.346 38.107 38.487 -0.056 0.000 0.997 51 N HN 0.105 nan 8.380 nan 0.000 0.426 52 T N 0.742 115.278 114.554 -0.031 0.000 2.770 52 T HA 0.032 4.382 4.350 -0.000 0.000 0.263 52 T C 1.723 176.409 174.700 -0.024 0.000 1.039 52 T CA 0.663 62.747 62.100 -0.027 0.000 1.142 52 T CB -0.092 68.761 68.868 -0.026 0.000 0.868 52 T HN 0.151 nan 8.240 nan 0.000 0.435 53 I N 1.940 122.497 120.570 -0.021 0.000 2.194 53 I HA -0.177 3.993 4.170 -0.000 0.000 0.246 53 I C 2.564 178.670 176.117 -0.019 0.000 1.093 53 I CA 1.598 62.887 61.300 -0.019 0.000 1.355 53 I CB -1.783 36.210 38.000 -0.012 0.000 1.046 53 I HN 0.276 nan 8.210 nan 0.000 0.413 54 T N 0.424 114.968 114.554 -0.018 0.000 2.708 54 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 54 T C 2.126 176.816 174.700 -0.017 0.000 1.037 54 T CA 1.186 63.277 62.100 -0.016 0.000 1.146 54 T CB -0.167 68.693 68.868 -0.014 0.000 0.865 54 T HN 0.292 nan 8.240 nan 0.000 0.435 55 R N 0.293 120.782 120.500 -0.018 0.000 2.081 55 R HA 0.042 4.382 4.340 -0.000 0.000 0.235 55 R C 2.494 178.781 176.300 -0.022 0.000 1.131 55 R CA 1.004 57.093 56.100 -0.018 0.000 0.960 55 R CB -0.514 29.776 30.300 -0.017 0.000 0.856 55 R HN 0.373 nan 8.270 nan 0.000 0.436 56 L N 0.579 121.786 121.223 -0.028 0.000 2.012 56 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 56 L C 2.527 179.380 176.870 -0.029 0.000 1.073 56 L CA 1.359 56.178 54.840 -0.034 0.000 0.748 56 L CB -0.442 41.591 42.059 -0.044 0.000 0.891 56 L HN 0.078 nan 8.230 nan 0.000 0.431 57 K N 0.432 120.818 120.400 -0.024 0.000 2.002 57 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 57 K C 2.060 178.650 176.600 -0.017 0.000 1.048 57 K CA 1.775 58.050 56.287 -0.020 0.000 0.930 57 K CB -0.232 32.258 32.500 -0.016 0.000 0.714 57 K HN 0.090 nan 8.250 nan 0.000 0.438 58 M N 0.251 119.842 119.600 -0.016 0.000 2.059 58 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 58 M C 2.074 178.366 176.300 -0.014 0.000 1.072 58 M CA 1.991 57.283 55.300 -0.013 0.000 1.117 58 M CB -0.458 32.135 32.600 -0.011 0.000 1.320 58 M HN 0.204 nan 8.290 nan 0.000 0.408 59 E N 0.128 120.319 120.200 -0.016 0.000 2.333 59 E HA 0.034 4.384 4.350 -0.000 0.000 0.198 59 E C 0.489 177.079 176.600 -0.018 0.000 1.007 59 E CA 0.318 56.708 56.400 -0.016 0.000 0.845 59 E CB -0.158 29.531 29.700 -0.019 0.000 0.766 59 E HN 0.631 nan 8.360 nan 0.000 0.507 60 G N 1.372 110.160 108.800 -0.020 0.000 3.019 60 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 60 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 60 G C -0.970 173.914 174.900 -0.027 0.000 1.056 60 G CA -0.444 44.643 45.100 -0.021 0.000 0.774 60 G HN 0.116 nan 8.290 nan 0.000 0.583 61 I N 1.398 121.950 120.570 -0.031 0.000 2.439 61 I HA 0.532 4.702 4.170 -0.000 0.000 0.283 61 I C 0.264 176.359 176.117 -0.038 0.000 1.023 61 I CA -1.280 59.996 61.300 -0.041 0.000 1.100 61 I CB 1.485 39.451 38.000 -0.056 0.000 1.238 61 I HN 0.669 nan 8.210 nan 0.000 0.445 62 E N 5.643 125.825 120.200 -0.031 0.000 2.480 62 E HA 0.337 4.687 4.350 -0.000 0.000 0.258 62 E C 1.152 177.731 176.600 -0.035 0.000 0.984 62 E CA 1.053 57.437 56.400 -0.027 0.000 0.930 62 E CB 0.297 29.987 29.700 -0.016 0.000 0.936 62 E HN 0.987 nan 8.360 nan 0.000 0.466 63 G N 2.745 111.523 108.800 -0.036 0.000 2.233 63 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.270 63 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.270 63 G C -0.049 174.824 174.900 -0.044 0.000 1.011 63 G CA 0.407 45.481 45.100 -0.044 0.000 0.762 63 G HN 0.721 nan 8.290 nan 0.000 0.511 64 A N -0.768 122.028 122.820 -0.040 0.000 2.414 64 A HA 0.800 5.120 4.320 -0.000 0.000 0.306 64 A C -0.076 177.493 177.584 -0.026 0.000 1.054 64 A CA -0.088 51.928 52.037 -0.034 0.000 0.724 64 A CB 1.372 20.337 19.000 -0.059 0.000 1.267 64 A HN 0.575 nan 8.150 nan 0.000 0.418 65 K N 1.133 121.526 120.400 -0.012 0.000 2.143 65 K HA 0.562 4.882 4.320 -0.000 0.000 0.272 65 K C -0.440 176.159 176.600 -0.003 0.000 1.001 65 K CA -0.037 56.246 56.287 -0.008 0.000 0.915 65 K CB 0.809 33.307 32.500 -0.003 0.000 1.047 65 K HN 0.773 nan 8.250 nan 0.000 0.458 66 T N 0.020 114.570 114.554 -0.006 0.000 2.770 66 T HA 0.462 4.812 4.350 -0.000 0.000 0.283 66 T C -0.574 174.126 174.700 0.001 0.000 0.988 66 T CA -0.846 61.251 62.100 -0.004 0.000 0.957 66 T CB 1.263 70.123 68.868 -0.013 0.000 0.930 66 T HN 0.191 nan 8.240 nan 0.000 0.443 67 V N 2.392 122.311 119.914 0.007 0.000 2.487 67 V HA 0.802 4.922 4.120 -0.000 0.000 0.298 67 V C 0.013 176.111 176.094 0.006 0.000 1.028 67 V CA -1.002 61.302 62.300 0.007 0.000 0.860 67 V CB 1.544 33.373 31.823 0.011 0.000 0.991 67 V HN 1.250 nan 8.190 nan 0.000 0.427 68 A N 6.685 129.506 122.820 0.001 0.000 2.291 68 A HA 0.880 5.200 4.320 -0.000 0.000 0.311 68 A C -0.589 176.994 177.584 -0.002 0.000 1.224 68 A CA -0.497 51.539 52.037 -0.001 0.000 0.821 68 A CB 0.677 19.674 19.000 -0.006 0.000 1.172 68 A HN 1.021 nan 8.150 nan 0.000 0.494 69 I N 0.530 121.099 120.570 -0.001 0.000 2.474 69 I HA 0.724 4.893 4.170 -0.000 0.000 0.294 69 I C -0.673 175.442 176.117 -0.004 0.000 1.005 69 I CA -0.617 60.682 61.300 -0.002 0.000 1.113 69 I CB 1.915 39.915 38.000 0.000 0.000 1.289 69 I HN 0.673 nan 8.210 nan 0.000 0.436 70 N N 2.561 121.258 118.700 -0.005 0.000 2.732 70 N HA 0.334 5.074 4.740 -0.000 0.000 0.259 70 N C -0.248 175.259 175.510 -0.005 0.000 1.402 70 N CA -0.581 52.465 53.050 -0.007 0.000 0.829 70 N CB 2.646 41.128 38.487 -0.009 0.000 1.495 70 N HN 0.692 nan 8.380 nan 0.000 0.511 71 T N -1.116 113.435 114.554 -0.005 0.000 3.023 71 T HA 0.113 4.463 4.350 -0.000 0.000 0.253 71 T C -0.884 173.814 174.700 -0.002 0.000 1.038 71 T CA 0.148 62.246 62.100 -0.003 0.000 0.962 71 T CB -0.159 68.708 68.868 -0.001 0.000 1.018 71 T HN 0.404 nan 8.240 nan 0.000 0.521 72 D N 1.053 121.450 120.400 -0.004 0.000 2.412 72 D HA 0.491 5.131 4.640 -0.000 0.000 0.224 72 D C 1.126 177.424 176.300 -0.004 0.000 1.093 72 D CA -0.115 53.883 54.000 -0.003 0.000 0.850 72 D CB 1.711 42.508 40.800 -0.005 0.000 1.046 72 D HN 0.233 nan 8.370 nan 0.000 0.507 73 A N 4.128 126.947 122.820 -0.002 0.000 1.877 73 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 73 A C 1.947 179.529 177.584 -0.003 0.000 1.186 73 A CA 1.481 53.516 52.037 -0.002 0.000 0.620 73 A CB -0.528 18.471 19.000 -0.001 0.000 0.822 73 A HN 0.733 nan 8.150 nan 0.000 0.443 74 Q N -0.920 118.879 119.800 -0.002 0.000 2.152 74 Q HA -0.299 4.041 4.340 -0.000 0.000 0.206 74 Q C 2.237 178.235 176.000 -0.003 0.000 0.985 74 Q CA 2.114 57.916 55.803 -0.002 0.000 0.863 74 Q CB -0.137 28.601 28.738 -0.000 0.000 0.904 74 Q HN 0.820 nan 8.270 nan 0.000 0.422 75 Q N -0.456 119.341 119.800 -0.005 0.000 2.096 75 Q HA -0.116 4.224 4.340 -0.000 0.000 0.197 75 Q C 2.052 178.047 176.000 -0.008 0.000 0.964 75 Q CA 0.823 56.622 55.803 -0.008 0.000 0.838 75 Q CB 0.035 28.766 28.738 -0.011 0.000 0.906 75 Q HN 0.341 nan 8.270 nan 0.000 0.444 76 L N 0.780 121.999 121.223 -0.007 0.000 2.191 76 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 76 L C 1.801 178.667 176.870 -0.006 0.000 1.103 76 L CA 1.243 56.078 54.840 -0.007 0.000 0.769 76 L CB -0.362 41.694 42.059 -0.006 0.000 0.908 76 L HN 0.273 nan 8.230 nan 0.000 0.438 77 I N 0.516 121.083 120.570 -0.005 0.000 2.142 77 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 77 I C 2.022 178.136 176.117 -0.004 0.000 1.078 77 I CA 1.386 62.683 61.300 -0.004 0.000 1.343 77 I CB -1.054 36.944 38.000 -0.003 0.000 1.046 77 I HN 0.446 nan 8.210 nan 0.000 0.405 78 R N 0.754 121.251 120.500 -0.005 0.000 2.541 78 R HA 0.158 4.498 4.340 -0.000 0.000 0.245 78 R C -0.330 175.966 176.300 -0.007 0.000 1.154 78 R CA 0.122 56.219 56.100 -0.005 0.000 1.179 78 R CB -0.781 29.516 30.300 -0.004 0.000 1.189 78 R HN 0.086 nan 8.270 nan 0.000 0.526 79 T N 1.092 115.641 114.554 -0.008 0.000 2.823 79 T HA 0.301 4.651 4.350 -0.000 0.000 0.279 79 T C -0.592 174.103 174.700 -0.008 0.000 0.998 79 T CA -0.688 61.407 62.100 -0.009 0.000 0.994 79 T CB 2.008 70.869 68.868 -0.010 0.000 0.960 79 T HN 0.148 nan 8.240 nan 0.000 0.448 80 K N 1.929 122.323 120.400 -0.009 0.000 2.235 80 K HA 0.786 5.106 4.320 -0.000 0.000 0.266 80 K C -0.651 175.943 176.600 -0.010 0.000 0.980 80 K CA -0.636 55.645 56.287 -0.009 0.000 0.849 80 K CB 1.706 34.201 32.500 -0.009 0.000 1.098 80 K HN 0.730 nan 8.250 nan 0.000 0.445 81 A N 2.050 124.864 122.820 -0.009 0.000 2.586 81 A HA 0.233 4.553 4.320 -0.000 0.000 0.291 81 A C -0.449 177.130 177.584 -0.008 0.000 1.062 81 A CA -0.731 51.301 52.037 -0.009 0.000 0.666 81 A CB 0.872 19.867 19.000 -0.008 0.000 1.281 81 A HN 0.642 nan 8.150 nan 0.000 0.421 82 D N -0.060 120.335 120.400 -0.008 0.000 2.117 82 D HA 0.015 4.655 4.640 -0.000 0.000 0.198 82 D C 0.359 176.655 176.300 -0.006 0.000 0.982 82 D CA 1.770 55.765 54.000 -0.008 0.000 0.828 82 D CB 0.201 40.996 40.800 -0.008 0.000 0.967 82 D HN 0.369 nan 8.370 nan 0.000 0.464 83 K N 0.378 120.776 120.400 -0.004 0.000 2.482 83 K HA 0.304 4.624 4.320 -0.000 0.000 0.251 83 K C -1.298 175.300 176.600 -0.003 0.000 0.936 83 K CA -0.520 55.765 56.287 -0.003 0.000 0.791 83 K CB 1.914 34.412 32.500 -0.002 0.000 1.213 83 K HN -0.300 nan 8.250 nan 0.000 0.428 84 K N 3.941 124.339 120.400 -0.003 0.000 2.203 84 K HA 0.618 4.938 4.320 -0.000 0.000 0.251 84 K C -0.597 176.002 176.600 -0.003 0.000 0.944 84 K CA -0.889 55.396 56.287 -0.003 0.000 0.829 84 K CB 1.607 34.105 32.500 -0.004 0.000 1.125 84 K HN 0.520 nan 8.250 nan 0.000 0.430 85 I N 2.695 123.263 120.570 -0.003 0.000 2.571 85 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 85 I C -1.355 174.760 176.117 -0.003 0.000 1.115 85 I CA -0.977 60.321 61.300 -0.002 0.000 1.045 85 I CB 1.943 39.942 38.000 -0.002 0.000 1.238 85 I HN 0.302 nan 8.210 nan 0.000 0.424 86 L N 7.985 129.207 121.223 -0.003 0.000 2.272 86 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 86 L C -0.129 176.740 176.870 -0.002 0.000 1.045 86 L CA -0.214 54.624 54.840 -0.003 0.000 0.842 86 L CB 0.553 42.610 42.059 -0.002 0.000 1.224 86 L HN 0.455 nan 8.230 nan 0.000 0.430 87 I N 1.618 122.186 120.570 -0.002 0.000 2.677 87 I HA 0.731 4.901 4.170 -0.000 0.000 0.305 87 I C 1.058 177.175 176.117 -0.001 0.000 0.988 87 I CA -0.411 60.888 61.300 -0.002 0.000 1.260 87 I CB 1.274 39.273 38.000 -0.002 0.000 1.410 87 I HN 0.777 nan 8.210 nan 0.000 0.523 88 G N 3.874 112.673 108.800 -0.001 0.000 2.314 88 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.292 88 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.292 88 G C 0.705 175.605 174.900 -0.000 0.000 1.059 88 G CA 0.227 45.327 45.100 -0.000 0.000 0.982 88 G HN 0.782 nan 8.290 nan 0.000 0.505 89 K N -0.132 120.268 120.400 -0.000 0.000 2.020 89 K HA -0.120 4.200 4.320 -0.000 0.000 0.212 89 K C 2.541 179.141 176.600 0.000 0.000 1.050 89 K CA 1.891 58.178 56.287 -0.000 0.000 0.929 89 K CB -0.270 32.229 32.500 -0.001 0.000 0.714 89 K HN 0.454 nan 8.250 nan 0.000 0.443 90 K N 0.971 121.371 120.400 0.000 0.000 1.970 90 K HA -0.132 4.188 4.320 -0.000 0.000 0.225 90 K C 2.208 178.809 176.600 0.002 0.000 1.045 90 K CA 1.028 57.316 56.287 0.001 0.000 1.002 90 K CB -1.051 31.450 32.500 0.001 0.000 0.743 90 K HN -0.089 nan 8.250 nan 0.000 0.445 91 L N 0.344 121.568 121.223 0.002 0.000 2.059 91 L HA -0.264 4.076 4.340 -0.000 0.000 0.242 91 L C 0.985 177.856 176.870 0.003 0.000 1.107 91 L CA 1.940 56.782 54.840 0.003 0.000 0.836 91 L CB -1.938 40.123 42.059 0.003 0.000 0.933 91 L HN 0.229 nan 8.230 nan 0.000 0.446 92 T N 0.075 114.631 114.554 0.002 0.000 2.794 92 T HA 0.160 4.510 4.350 -0.000 0.000 0.296 92 T C 0.843 175.544 174.700 0.002 0.000 0.949 92 T CA -0.326 61.776 62.100 0.002 0.000 1.101 92 T CB 0.755 69.624 68.868 0.002 0.000 0.905 92 T HN 0.069 nan 8.240 nan 0.000 0.516 93 R N 2.052 122.554 120.500 0.002 0.000 3.385 93 R HA 0.287 4.627 4.340 -0.000 0.000 0.236 93 R C 1.570 177.871 176.300 0.001 0.000 1.663 93 R CA 0.262 56.363 56.100 0.002 0.000 1.444 93 R CB -0.864 29.437 30.300 0.002 0.000 1.218 93 R HN 1.009 nan 8.270 nan 0.000 0.575 94 G N -0.321 108.480 108.800 0.001 0.000 2.176 94 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 94 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 94 G C 0.386 175.287 174.900 0.001 0.000 1.024 94 G CA 0.227 45.327 45.100 0.000 0.000 0.755 94 G HN 0.451 nan 8.290 nan 0.000 0.507 95 L N -0.319 120.905 121.223 0.002 0.000 2.766 95 L HA 0.524 4.864 4.340 -0.000 0.000 0.242 95 L C 1.351 178.223 176.870 0.003 0.000 1.136 95 L CA 0.335 55.177 54.840 0.002 0.000 0.933 95 L CB 0.255 42.316 42.059 0.004 0.000 1.241 95 L HN 1.123 nan 8.230 nan 0.000 0.522 96 G N -0.136 108.665 108.800 0.002 0.000 2.629 96 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 96 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 96 G C 0.112 175.014 174.900 0.003 0.000 1.232 96 G CA -0.371 44.730 45.100 0.002 0.000 0.803 96 G HN 0.042 nan 8.290 nan 0.000 0.638 97 A N 0.142 122.964 122.820 0.004 0.000 2.251 97 A HA 0.609 4.929 4.320 -0.000 0.000 0.209 97 A C 2.322 179.911 177.584 0.008 0.000 1.187 97 A CA 1.579 53.619 52.037 0.005 0.000 0.823 97 A CB -0.653 18.350 19.000 0.005 0.000 0.846 97 A HN 2.964 nan 8.150 nan 0.000 0.486 98 G N -1.063 107.742 108.800 0.009 0.000 2.323 98 G HA2 0.107 4.067 3.960 -0.000 0.000 0.292 98 G HA3 0.107 4.067 3.960 -0.000 0.000 0.292 98 G C 1.415 176.324 174.900 0.015 0.000 1.040 98 G CA 0.779 45.886 45.100 0.012 0.000 0.942 98 G HN 2.041 nan 8.290 nan 0.000 0.506 99 G N -0.958 107.850 108.800 0.014 0.000 2.166 99 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 99 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 99 G C 0.333 175.242 174.900 0.015 0.000 0.986 99 G CA 0.793 45.903 45.100 0.017 0.000 0.683 99 G HN 1.521 nan 8.290 nan 0.000 0.527 100 N N 0.752 119.459 118.700 0.012 0.000 2.558 100 N HA 0.377 5.117 4.740 -0.000 0.000 0.233 100 N C -0.811 174.705 175.510 0.011 0.000 1.038 100 N CA -1.915 51.142 53.050 0.012 0.000 0.934 100 N CB 1.399 39.893 38.487 0.011 0.000 1.175 100 N HN 0.007 nan 8.380 nan 0.000 0.512 101 P HA -0.190 nan 4.420 nan 0.000 0.216 101 P C 0.868 178.176 177.300 0.013 0.000 1.157 101 P CA 1.864 64.971 63.100 0.012 0.000 0.880 101 P CB 0.363 32.071 31.700 0.013 0.000 0.791 102 K N -0.938 119.470 120.400 0.013 0.000 2.074 102 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 102 K C 1.931 178.537 176.600 0.010 0.000 1.048 102 K CA 1.285 57.580 56.287 0.013 0.000 0.926 102 K CB -0.693 31.814 32.500 0.012 0.000 0.713 102 K HN 0.115 nan 8.250 nan 0.000 0.444 103 I N 0.969 121.544 120.570 0.009 0.000 2.286 103 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 103 I C 2.463 178.584 176.117 0.006 0.000 1.115 103 I CA 1.461 62.765 61.300 0.007 0.000 1.392 103 I CB -1.771 36.233 38.000 0.007 0.000 1.065 103 I HN 0.271 nan 8.210 nan 0.000 0.418 104 G N 0.598 109.402 108.800 0.007 0.000 2.453 104 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.215 104 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.215 104 G C 1.574 176.478 174.900 0.006 0.000 1.201 104 G CA 0.830 45.933 45.100 0.006 0.000 0.784 104 G HN 0.482 nan 8.290 nan 0.000 0.545 105 E N 0.338 120.544 120.200 0.010 0.000 2.070 105 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 105 E C 2.237 178.841 176.600 0.006 0.000 1.004 105 E CA 1.647 58.054 56.400 0.010 0.000 0.805 105 E CB -0.251 29.459 29.700 0.017 0.000 0.744 105 E HN 0.641 nan 8.360 nan 0.000 0.451 106 E N -0.122 120.081 120.200 0.006 0.000 2.031 106 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 106 E C 2.040 178.641 176.600 0.001 0.000 0.994 106 E CA 1.094 57.496 56.400 0.004 0.000 0.800 106 E CB -0.257 29.446 29.700 0.005 0.000 0.752 106 E HN 0.357 nan 8.360 nan 0.000 0.447 107 A N 1.352 124.173 122.820 0.002 0.000 1.927 107 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 107 A C 2.376 179.959 177.584 -0.001 0.000 1.185 107 A CA 2.301 54.338 52.037 0.000 0.000 0.639 107 A CB -1.009 17.991 19.000 0.001 0.000 0.820 107 A HN 0.461 nan 8.150 nan 0.000 0.451 108 A N -0.146 122.673 122.820 -0.002 0.000 1.828 108 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 108 A C 2.061 179.641 177.584 -0.008 0.000 1.203 108 A CA 1.893 53.928 52.037 -0.004 0.000 0.614 108 A CB -0.671 18.326 19.000 -0.005 0.000 0.844 108 A HN 0.534 nan 8.150 nan 0.000 0.445 109 K N -0.429 119.966 120.400 -0.009 0.000 2.107 109 K HA -0.279 4.041 4.320 -0.000 0.000 0.211 109 K C 2.093 178.688 176.600 -0.009 0.000 1.049 109 K CA 1.787 58.068 56.287 -0.011 0.000 0.927 109 K CB -0.272 32.222 32.500 -0.009 0.000 0.714 109 K HN 0.741 nan 8.250 nan 0.000 0.452 110 E N 0.859 121.056 120.200 -0.005 0.000 2.049 110 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 110 E C 0.657 177.254 176.600 -0.005 0.000 1.007 110 E CA 1.610 58.007 56.400 -0.004 0.000 0.809 110 E CB 0.073 29.771 29.700 -0.003 0.000 0.749 110 E HN 0.130 nan 8.360 nan 0.000 0.450 111 S N 0.119 115.816 115.700 -0.006 0.000 2.602 111 S HA 0.303 4.773 4.470 -0.000 0.000 0.246 111 S C 0.903 175.498 174.600 -0.008 0.000 1.009 111 S CA 0.185 58.382 58.200 -0.006 0.000 1.052 111 S CB 0.943 64.140 63.200 -0.005 0.000 0.778 111 S HN 0.411 nan 8.310 nan 0.000 0.455 112 A N 1.070 123.883 122.820 -0.011 0.000 2.125 112 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 112 A C 2.079 179.654 177.584 -0.014 0.000 1.156 112 A CA 1.305 53.333 52.037 -0.015 0.000 0.671 112 A CB -0.212 18.776 19.000 -0.019 0.000 0.794 112 A HN 0.424 nan 8.150 nan 0.000 0.459 113 E N 0.765 120.959 120.200 -0.010 0.000 2.024 113 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 113 E C 1.970 178.566 176.600 -0.007 0.000 0.974 113 E CA 1.248 57.642 56.400 -0.009 0.000 0.810 113 E CB -0.296 29.400 29.700 -0.007 0.000 0.775 113 E HN 0.606 nan 8.360 nan 0.000 0.453 114 E N 0.648 120.845 120.200 -0.006 0.000 2.396 114 E HA -0.184 4.166 4.350 -0.000 0.000 0.200 114 E C 2.135 178.732 176.600 -0.005 0.000 1.023 114 E CA 0.792 57.189 56.400 -0.005 0.000 0.857 114 E CB -0.335 29.363 29.700 -0.004 0.000 0.775 114 E HN 0.431 nan 8.360 nan 0.000 0.525 115 I N 0.829 121.395 120.570 -0.006 0.000 2.494 115 I HA -0.128 4.042 4.170 -0.000 0.000 0.250 115 I C 2.670 178.784 176.117 -0.005 0.000 1.112 115 I CA 0.590 61.887 61.300 -0.005 0.000 1.438 115 I CB -0.138 37.858 38.000 -0.007 0.000 1.111 115 I HN 0.013 nan 8.210 nan 0.000 0.431 116 K N 1.629 122.024 120.400 -0.008 0.000 2.209 116 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 116 K C 2.009 178.605 176.600 -0.006 0.000 1.048 116 K CA 1.455 57.737 56.287 -0.009 0.000 0.940 116 K CB 0.019 32.512 32.500 -0.011 0.000 0.729 116 K HN 0.296 nan 8.250 nan 0.000 0.451 117 A N 0.658 123.476 122.820 -0.005 0.000 1.970 117 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 117 A C 2.201 179.783 177.584 -0.003 0.000 1.170 117 A CA 1.184 53.219 52.037 -0.004 0.000 0.645 117 A CB -0.413 18.585 19.000 -0.004 0.000 0.816 117 A HN 0.417 nan 8.150 nan 0.000 0.447 118 A N 0.292 123.112 122.820 -0.001 0.000 2.067 118 A HA 0.065 4.385 4.320 -0.000 0.000 0.219 118 A C 1.666 179.253 177.584 0.004 0.000 1.158 118 A CA 1.432 53.470 52.037 0.001 0.000 0.661 118 A CB -0.614 18.387 19.000 0.002 0.000 0.801 118 A HN 1.035 nan 8.150 nan 0.000 0.452 119 I N -4.837 115.736 120.570 0.004 0.000 3.994 119 I HA 0.296 4.466 4.170 -0.000 0.000 0.323 119 I C 1.344 177.463 176.117 0.004 0.000 1.501 119 I CA 0.071 61.376 61.300 0.008 0.000 1.112 119 I CB 0.177 38.185 38.000 0.014 0.000 1.254 119 I HN 0.057 nan 8.210 nan 0.000 0.495 120 Q N 2.731 122.531 119.800 -0.000 0.000 2.197 120 Q HA -0.199 4.141 4.340 -0.000 0.000 0.211 120 Q C 0.322 176.321 176.000 -0.002 0.000 0.993 120 Q CA 2.097 57.899 55.803 -0.002 0.000 0.883 120 Q CB -0.111 28.625 28.738 -0.003 0.000 0.916 120 Q HN 0.615 nan 8.270 nan 0.000 0.418 121 D N 0.134 120.532 120.400 -0.003 0.000 2.886 121 D HA 0.210 4.850 4.640 -0.000 0.000 0.355 121 D C -0.980 175.315 176.300 -0.007 0.000 1.274 121 D CA -0.018 53.978 54.000 -0.006 0.000 0.836 121 D CB 0.642 41.435 40.800 -0.011 0.000 1.109 121 D HN -0.016 nan 8.370 nan 0.000 0.488 122 S N 0.202 115.904 115.700 0.003 0.000 2.509 122 S HA 0.226 4.696 4.470 -0.000 0.000 0.297 122 S C 0.879 175.493 174.600 0.023 0.000 1.118 122 S CA -0.723 57.482 58.200 0.008 0.000 1.074 122 S CB 2.509 65.723 63.200 0.024 0.000 1.038 122 S HN 0.098 nan 8.310 nan 0.000 0.498 123 D N 0.954 121.368 120.400 0.022 0.000 2.271 123 D HA 0.109 4.749 4.640 -0.000 0.000 0.206 123 D C 0.313 176.720 176.300 0.178 0.000 0.967 123 D CA 0.848 54.902 54.000 0.091 0.000 0.867 123 D CB 0.330 41.147 40.800 0.028 0.000 0.960 123 D HN 0.398 nan 8.370 nan 0.000 0.509 124 M N 0.855 120.540 119.600 0.142 0.000 2.378 124 M HA 0.342 4.822 4.480 -0.000 0.000 0.289 124 M C -2.268 174.094 176.300 0.103 0.000 1.136 124 M CA -0.496 54.889 55.300 0.141 0.000 0.917 124 M CB 2.797 35.571 32.600 0.289 0.000 1.669 124 M HN -0.400 nan 8.290 nan 0.000 0.461 125 V N 4.412 124.337 119.914 0.017 0.000 2.638 125 V HA 0.575 4.695 4.120 -0.000 0.000 0.306 125 V C -1.337 174.749 176.094 -0.013 0.000 1.052 125 V CA -0.525 61.818 62.300 0.071 0.000 0.885 125 V CB 2.111 33.957 31.823 0.038 0.000 0.999 125 V HN 0.742 nan 8.190 nan 0.000 0.424 126 F N 4.353 124.319 119.950 0.027 0.000 2.436 126 F HA 0.657 5.184 4.527 -0.000 0.000 0.340 126 F C 0.182 175.992 175.800 0.016 0.000 1.113 126 F CA -0.671 57.344 58.000 0.025 0.000 1.022 126 F CB 1.588 40.603 39.000 0.024 0.000 1.128 126 F HN 0.223 nan 8.300 nan 0.000 0.466 127 I N 2.616 123.281 120.570 0.158 0.000 2.382 127 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 127 I C -0.246 175.929 176.117 0.098 0.000 1.002 127 I CA -0.327 61.033 61.300 0.099 0.000 1.135 127 I CB 1.874 39.906 38.000 0.052 0.000 1.288 127 I HN 0.479 nan 8.210 nan 0.000 0.448 128 T N 5.686 120.289 114.554 0.081 0.000 2.876 128 T HA 0.792 5.142 4.350 -0.000 0.000 0.289 128 T C -0.700 174.014 174.700 0.022 0.000 1.014 128 T CA -0.324 61.810 62.100 0.057 0.000 0.986 128 T CB 1.108 70.011 68.868 0.059 0.000 1.021 128 T HN 0.916 nan 8.240 nan 0.000 0.458 129 C N 1.202 120.505 119.300 0.006 0.000 3.211 129 C HA 0.875 5.335 4.460 -0.000 0.000 0.350 129 C C 0.086 175.059 174.990 -0.029 0.000 1.413 129 C CA -0.654 58.356 59.018 -0.014 0.000 1.203 129 C CB 0.595 28.329 27.740 -0.009 0.000 1.506 129 C HN 1.133 nan 8.230 nan 0.000 0.448 130 G N 1.306 110.079 108.800 -0.045 0.000 2.468 130 G HA2 0.574 4.534 3.960 -0.000 0.000 0.320 130 G HA3 0.574 4.534 3.960 -0.000 0.000 0.320 130 G C -0.558 174.316 174.900 -0.043 0.000 1.137 130 G CA -0.451 44.616 45.100 -0.056 0.000 0.984 130 G HN 0.882 nan 8.290 nan 0.000 0.462 131 L N 1.746 122.944 121.223 -0.042 0.000 2.485 131 L HA 0.373 4.713 4.340 -0.000 0.000 0.275 131 L C 1.524 178.379 176.870 -0.025 0.000 1.207 131 L CA 1.455 56.273 54.840 -0.036 0.000 0.855 131 L CB 1.022 43.049 42.059 -0.052 0.000 1.114 131 L HN 0.825 nan 8.230 nan 0.000 0.485 132 G N 1.539 110.332 108.800 -0.012 0.000 2.705 132 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.193 132 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.193 132 G C 0.352 175.260 174.900 0.014 0.000 1.015 132 G CA -0.250 44.853 45.100 0.006 0.000 0.743 132 G HN 0.968 nan 8.290 nan 0.000 0.476 133 G N -0.349 108.454 108.800 0.006 0.000 2.574 133 G HA2 0.583 4.543 3.960 -0.000 0.000 0.248 133 G HA3 0.583 4.543 3.960 -0.000 0.000 0.248 133 G C 1.156 176.060 174.900 0.006 0.000 1.422 133 G CA 0.532 45.636 45.100 0.008 0.000 1.051 133 G HN 1.110 nan 8.290 nan 0.000 0.560 134 G N -1.575 107.228 108.800 0.005 0.000 2.599 134 G HA2 0.102 4.062 3.960 -0.000 0.000 0.210 134 G HA3 0.102 4.062 3.960 -0.000 0.000 0.210 134 G C 1.682 176.584 174.900 0.003 0.000 1.177 134 G CA 1.457 46.560 45.100 0.006 0.000 0.835 134 G HN 0.538 nan 8.290 nan 0.000 0.575 135 T N 1.407 115.961 114.554 0.000 0.000 2.580 135 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 135 T C 2.437 177.136 174.700 -0.001 0.000 1.063 135 T CA 1.875 63.974 62.100 -0.001 0.000 1.170 135 T CB -0.937 67.928 68.868 -0.005 0.000 0.863 135 T HN 0.332 nan 8.240 nan 0.000 0.418 136 G N 1.253 110.049 108.800 -0.006 0.000 2.545 136 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 136 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 136 G C 1.755 176.655 174.900 -0.000 0.000 1.218 136 G CA 1.711 46.807 45.100 -0.006 0.000 0.787 136 G HN 0.495 nan 8.290 nan 0.000 0.571 137 T N 0.967 115.520 114.554 -0.001 0.000 2.699 137 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 137 T C 2.382 177.089 174.700 0.012 0.000 1.036 137 T CA 1.708 63.810 62.100 0.003 0.000 1.147 137 T CB -0.626 68.243 68.868 0.002 0.000 0.862 137 T HN 0.405 nan 8.240 nan 0.000 0.446 138 G N 1.451 110.258 108.800 0.011 0.000 2.454 138 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.214 138 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.214 138 G C 1.969 176.879 174.900 0.017 0.000 1.217 138 G CA 1.293 46.402 45.100 0.015 0.000 0.799 138 G HN 0.617 nan 8.290 nan 0.000 0.538 139 S N 1.601 117.307 115.700 0.010 0.000 2.356 139 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 139 S C 2.667 177.275 174.600 0.013 0.000 1.032 139 S CA 1.819 60.024 58.200 0.008 0.000 1.005 139 S CB -0.824 62.378 63.200 0.004 0.000 0.867 139 S HN 0.816 nan 8.310 nan 0.000 0.449 140 A N 3.371 126.200 122.820 0.016 0.000 1.944 140 A HA -0.147 4.173 4.320 -0.000 0.000 0.222 140 A C 0.248 177.854 177.584 0.036 0.000 1.237 140 A CA 2.279 54.330 52.037 0.023 0.000 0.668 140 A CB -2.098 16.915 19.000 0.022 0.000 0.830 140 A HN 0.592 nan 8.150 nan 0.000 0.471 141 P HA -0.021 nan 4.420 nan 0.000 0.220 141 P C 1.585 178.906 177.300 0.035 0.000 1.152 141 P CA 1.039 64.198 63.100 0.097 0.000 0.812 141 P CB -0.075 31.708 31.700 0.139 0.000 0.792 142 V N -0.328 119.586 119.914 0.001 0.000 2.295 142 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 142 V C 2.422 178.481 176.094 -0.059 0.000 1.049 142 V CA 1.777 64.047 62.300 -0.049 0.000 1.024 142 V CB -1.280 30.527 31.823 -0.026 0.000 0.648 142 V HN -0.031 nan 8.190 nan 0.000 0.447 143 V N 0.301 120.200 119.914 -0.024 0.000 2.343 143 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 143 V C 2.732 178.813 176.094 -0.023 0.000 1.051 143 V CA 2.052 64.341 62.300 -0.018 0.000 1.036 143 V CB -1.121 30.703 31.823 0.002 0.000 0.654 143 V HN 0.570 nan 8.190 nan 0.000 0.451 144 A N -0.625 122.190 122.820 -0.008 0.000 1.908 144 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 144 A C 2.282 179.845 177.584 -0.035 0.000 1.181 144 A CA 2.214 54.257 52.037 0.010 0.000 0.627 144 A CB -0.512 18.535 19.000 0.078 0.000 0.818 144 A HN 0.644 nan 8.150 nan 0.000 0.445 145 E N -0.292 119.812 120.200 -0.159 0.000 2.072 145 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 145 E C 1.898 178.415 176.600 -0.137 0.000 0.985 145 E CA 1.131 57.360 56.400 -0.286 0.000 0.801 145 E CB -0.204 29.151 29.700 -0.575 0.000 0.750 145 E HN 0.680 nan 8.360 nan 0.000 0.452 146 I N 0.498 121.007 120.570 -0.101 0.000 2.226 146 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 146 I C 2.699 178.794 176.117 -0.037 0.000 1.100 146 I CA 0.947 62.212 61.300 -0.059 0.000 1.374 146 I CB -0.463 37.512 38.000 -0.042 0.000 1.057 146 I HN 0.151 nan 8.210 nan 0.000 0.413 147 S N 1.012 116.694 115.700 -0.029 0.000 2.359 147 S HA -0.268 4.202 4.470 -0.000 0.000 0.222 147 S C 2.121 176.713 174.600 -0.013 0.000 1.038 147 S CA 1.749 59.940 58.200 -0.014 0.000 1.051 147 S CB -0.164 63.029 63.200 -0.011 0.000 0.944 147 S HN 0.314 nan 8.310 nan 0.000 0.433 148 K N 0.423 120.814 120.400 -0.015 0.000 2.097 148 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 148 K C 2.330 178.926 176.600 -0.007 0.000 1.049 148 K CA 1.292 57.576 56.287 -0.005 0.000 0.933 148 K CB -0.141 32.366 32.500 0.012 0.000 0.717 148 K HN 0.360 nan 8.250 nan 0.000 0.442 149 K N 0.849 121.238 120.400 -0.018 0.000 2.152 149 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 149 K C 1.872 178.467 176.600 -0.009 0.000 1.048 149 K CA 1.354 57.631 56.287 -0.016 0.000 0.933 149 K CB -0.210 32.275 32.500 -0.026 0.000 0.721 149 K HN 0.358 nan 8.250 nan 0.000 0.447 150 I N -2.590 117.975 120.570 -0.008 0.000 3.749 150 I HA 0.199 4.369 4.170 -0.000 0.000 0.314 150 I C 0.752 176.871 176.117 0.004 0.000 1.267 150 I CA 0.443 61.742 61.300 -0.002 0.000 1.169 150 I CB -0.307 37.691 38.000 -0.002 0.000 1.009 150 I HN 0.210 nan 8.210 nan 0.000 0.444 151 G N 1.419 110.221 108.800 0.004 0.000 2.189 151 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 151 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 151 G C 0.495 175.404 174.900 0.015 0.000 0.975 151 G CA 0.160 45.266 45.100 0.009 0.000 0.644 151 G HN 0.999 nan 8.290 nan 0.000 0.537 152 A N -0.008 122.820 122.820 0.014 0.000 2.462 152 A HA 0.603 4.923 4.320 -0.000 0.000 0.243 152 A C 0.792 178.381 177.584 0.008 0.000 1.076 152 A CA 0.120 52.171 52.037 0.024 0.000 0.773 152 A CB 0.478 19.490 19.000 0.019 0.000 1.010 152 A HN 1.399 nan 8.150 nan 0.000 0.493 153 L N 2.976 124.210 121.223 0.020 0.000 2.530 153 L HA 0.152 4.492 4.340 -0.000 0.000 0.273 153 L C -0.099 176.721 176.870 -0.084 0.000 1.141 153 L CA 0.193 55.014 54.840 -0.032 0.000 0.905 153 L CB 0.134 42.176 42.059 -0.028 0.000 1.202 153 L HN 0.739 nan 8.230 nan 0.000 0.473 154 T N 4.819 119.318 114.554 -0.091 0.000 2.767 154 T HA 0.491 4.841 4.350 -0.000 0.000 0.288 154 T C -0.330 174.264 174.700 -0.175 0.000 0.963 154 T CA -0.356 61.675 62.100 -0.115 0.000 1.019 154 T CB 1.418 70.257 68.868 -0.049 0.000 0.923 154 T HN 0.354 nan 8.240 nan 0.000 0.468 155 V N 2.212 121.956 119.914 -0.282 0.000 2.709 155 V HA 0.826 4.946 4.120 -0.000 0.000 0.308 155 V C -0.242 175.757 176.094 -0.159 0.000 1.062 155 V CA -1.053 61.063 62.300 -0.307 0.000 0.901 155 V CB 1.899 33.322 31.823 -0.666 0.000 1.003 155 V HN 1.047 nan 8.190 nan 0.000 0.425 156 A N 3.535 126.330 122.820 -0.042 0.000 2.355 156 A HA 0.929 5.249 4.320 -0.000 0.000 0.324 156 A C -0.971 176.655 177.584 0.070 0.000 1.117 156 A CA -0.621 51.436 52.037 0.033 0.000 0.785 156 A CB 1.962 20.978 19.000 0.028 0.000 1.254 156 A HN 0.874 nan 8.150 nan 0.000 0.453 157 V N 3.026 122.997 119.914 0.095 0.000 2.454 157 V HA 0.435 4.555 4.120 -0.000 0.000 0.267 157 V C -0.223 175.897 176.094 0.043 0.000 0.993 157 V CA -0.402 61.950 62.300 0.087 0.000 0.836 157 V CB 0.559 32.462 31.823 0.135 0.000 1.055 157 V HN 1.047 nan 8.190 nan 0.000 0.452 158 V N 1.317 121.240 119.914 0.015 0.000 2.919 158 V HA 0.982 5.102 4.120 -0.000 0.000 0.316 158 V C 0.148 176.220 176.094 -0.037 0.000 1.077 158 V CA -0.450 61.843 62.300 -0.011 0.000 0.977 158 V CB 2.106 33.919 31.823 -0.016 0.000 1.039 158 V HN 0.742 nan 8.190 nan 0.000 0.441 159 T N 0.948 115.469 114.554 -0.055 0.000 2.918 159 T HA 0.768 5.118 4.350 -0.000 0.000 0.286 159 T C -0.731 173.908 174.700 -0.102 0.000 1.026 159 T CA -0.690 61.359 62.100 -0.086 0.000 1.031 159 T CB 1.607 70.418 68.868 -0.094 0.000 1.046 159 T HN 0.599 nan 8.240 nan 0.000 0.479 160 L N 3.062 124.203 121.223 -0.136 0.000 2.360 160 L HA 0.582 4.922 4.340 -0.000 0.000 0.271 160 L C -1.987 174.786 176.870 -0.162 0.000 1.057 160 L CA -2.406 52.352 54.840 -0.136 0.000 0.803 160 L CB 0.851 42.824 42.059 -0.144 0.000 1.207 160 L HN 0.580 nan 8.230 nan 0.000 0.445 161 P HA 0.102 nan 4.420 nan 0.000 0.274 161 P C -0.627 176.643 177.300 -0.050 0.000 1.231 161 P CA -0.280 62.805 63.100 -0.025 0.000 0.790 161 P CB 0.438 32.172 31.700 0.057 0.000 0.951 162 F N 0.225 120.229 119.950 0.091 0.000 2.459 162 F HA -0.034 4.493 4.527 -0.000 0.000 0.346 162 F C 2.081 177.926 175.800 0.075 0.000 1.128 162 F CA 0.031 58.079 58.000 0.081 0.000 1.268 162 F CB 0.034 39.080 39.000 0.076 0.000 1.161 162 F HN 0.051 nan 8.300 nan 0.000 0.583 163 V N 2.713 122.805 119.914 0.296 0.000 2.407 163 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 163 V C 2.168 178.349 176.094 0.145 0.000 1.055 163 V CA 1.918 64.322 62.300 0.174 0.000 1.049 163 V CB -0.753 31.156 31.823 0.143 0.000 0.662 163 V HN 0.808 nan 8.190 nan 0.000 0.455 164 M N -0.349 119.348 119.600 0.162 0.000 2.260 164 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 164 M C 1.979 178.325 176.300 0.076 0.000 1.066 164 M CA 1.724 57.065 55.300 0.069 0.000 1.082 164 M CB -0.607 31.990 32.600 -0.004 0.000 1.388 164 M HN 0.419 nan 8.290 nan 0.000 0.419 165 E N 0.345 120.627 120.200 0.136 0.000 2.418 165 E HA 0.123 4.473 4.350 -0.000 0.000 0.197 165 E C 0.930 177.583 176.600 0.088 0.000 1.026 165 E CA 0.277 56.754 56.400 0.127 0.000 0.862 165 E CB 0.015 29.828 29.700 0.188 0.000 0.799 165 E HN 0.596 nan 8.360 nan 0.000 0.518 166 G N 0.992 109.836 108.800 0.074 0.000 2.603 166 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.686 166 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.686 166 G C -0.017 174.911 174.900 0.046 0.000 1.286 166 G CA -0.131 45.001 45.100 0.052 0.000 0.871 166 G HN 0.061 nan 8.290 nan 0.000 0.568 167 K N -0.725 119.695 120.400 0.034 0.000 2.007 167 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 167 K C 2.757 179.372 176.600 0.026 0.000 1.047 167 K CA 1.731 58.035 56.287 0.028 0.000 0.937 167 K CB -0.348 32.166 32.500 0.023 0.000 0.718 167 K HN 0.415 nan 8.250 nan 0.000 0.438 168 V N 1.395 121.325 119.914 0.026 0.000 2.282 168 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 168 V C 2.401 178.510 176.094 0.026 0.000 1.057 168 V CA 1.937 64.252 62.300 0.024 0.000 1.032 168 V CB -0.528 31.309 31.823 0.024 0.000 0.645 168 V HN 0.286 nan 8.190 nan 0.000 0.447 169 R N -0.582 119.939 120.500 0.035 0.000 2.080 169 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 169 R C 2.177 178.492 176.300 0.024 0.000 1.137 169 R CA 2.224 58.347 56.100 0.039 0.000 0.943 169 R CB -0.839 29.499 30.300 0.064 0.000 0.846 169 R HN 0.486 nan 8.270 nan 0.000 0.431 170 M N 0.525 120.139 119.600 0.023 0.000 2.108 170 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 170 M C 1.859 178.153 176.300 -0.009 0.000 1.066 170 M CA 1.862 57.163 55.300 0.002 0.000 1.107 170 M CB -0.399 32.205 32.600 0.006 0.000 1.356 170 M HN -0.030 nan 8.290 nan 0.000 0.406 171 K N 0.287 120.689 120.400 0.003 0.000 2.034 171 K HA -0.182 4.138 4.320 -0.000 0.000 0.214 171 K C 1.574 178.173 176.600 -0.001 0.000 1.051 171 K CA 2.610 58.898 56.287 0.003 0.000 0.931 171 K CB -0.780 31.727 32.500 0.011 0.000 0.715 171 K HN 0.702 nan 8.250 nan 0.000 0.446 172 N N -0.382 118.320 118.700 0.003 0.000 2.120 172 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 172 N C 1.742 177.246 175.510 -0.010 0.000 1.024 172 N CA 0.819 53.871 53.050 0.003 0.000 0.852 172 N CB -0.241 38.251 38.487 0.008 0.000 1.003 172 N HN 0.348 nan 8.380 nan 0.000 0.424 173 A N 1.904 124.711 122.820 -0.021 0.000 1.859 173 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 173 A C 2.193 179.733 177.584 -0.074 0.000 1.198 173 A CA 1.494 53.505 52.037 -0.044 0.000 0.629 173 A CB -0.487 18.482 19.000 -0.053 0.000 0.830 173 A HN 0.130 nan 8.150 nan 0.000 0.446 174 M N -0.271 119.277 119.600 -0.087 0.000 2.082 174 M HA -0.181 4.298 4.480 -0.000 0.000 0.258 174 M C 1.937 178.205 176.300 -0.052 0.000 1.069 174 M CA 1.729 56.953 55.300 -0.127 0.000 1.102 174 M CB -1.720 30.826 32.600 -0.089 0.000 1.336 174 M HN 0.556 nan 8.290 nan 0.000 0.404 175 E N -0.515 119.682 120.200 -0.006 0.000 2.110 175 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 175 E C 2.110 178.728 176.600 0.029 0.000 0.988 175 E CA 1.127 57.544 56.400 0.028 0.000 0.804 175 E CB -0.335 29.380 29.700 0.025 0.000 0.745 175 E HN 0.645 nan 8.360 nan 0.000 0.458 176 G N 1.514 110.318 108.800 0.007 0.000 2.404 176 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 176 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 176 G C 1.550 176.459 174.900 0.016 0.000 1.174 176 G CA 0.325 45.432 45.100 0.013 0.000 0.780 176 G HN 0.151 nan 8.290 nan 0.000 0.537 177 L N 0.676 121.881 121.223 -0.030 0.000 2.189 177 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 177 L C 2.512 179.458 176.870 0.126 0.000 1.097 177 L CA 2.262 57.074 54.840 -0.048 0.000 0.764 177 L CB -0.314 41.565 42.059 -0.299 0.000 0.900 177 L HN 0.334 nan 8.230 nan 0.000 0.436 178 E N -0.223 120.077 120.200 0.166 0.000 2.008 178 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 178 E C 2.334 178.996 176.600 0.104 0.000 0.986 178 E CA 1.389 57.935 56.400 0.243 0.000 0.807 178 E CB -0.202 29.606 29.700 0.179 0.000 0.766 178 E HN 0.344 nan 8.360 nan 0.000 0.450 179 R N -0.219 120.318 120.500 0.063 0.000 2.133 179 R HA -0.216 4.124 4.340 -0.000 0.000 0.245 179 R C 2.452 178.763 176.300 0.017 0.000 1.137 179 R CA 1.660 57.779 56.100 0.032 0.000 0.947 179 R CB -0.861 29.481 30.300 0.071 0.000 0.865 179 R HN 0.223 nan 8.270 nan 0.000 0.437 180 L N 1.645 122.907 121.223 0.064 0.000 2.043 180 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 180 L C 2.322 179.214 176.870 0.037 0.000 1.075 180 L CA 1.849 56.732 54.840 0.072 0.000 0.752 180 L CB -0.451 41.645 42.059 0.062 0.000 0.891 180 L HN 0.097 nan 8.230 nan 0.000 0.432 181 K N -0.988 119.438 120.400 0.043 0.000 2.152 181 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 181 K C 1.942 178.492 176.600 -0.084 0.000 1.048 181 K CA 1.637 57.935 56.287 0.017 0.000 0.933 181 K CB -0.058 32.476 32.500 0.057 0.000 0.721 181 K HN 0.503 nan 8.250 nan 0.000 0.447 182 Q N -0.946 118.730 119.800 -0.206 0.000 2.436 182 Q HA -0.080 4.260 4.340 -0.000 0.000 0.209 182 Q C 0.216 175.924 176.000 -0.486 0.000 0.965 182 Q CA 0.685 56.257 55.803 -0.385 0.000 0.910 182 Q CB 0.294 28.707 28.738 -0.543 0.000 0.980 182 Q HN 0.412 nan 8.270 nan 0.000 0.491 183 H N -1.033 118.039 119.070 0.004 0.000 2.637 183 H HA 0.321 4.877 4.556 0.000 0.000 0.245 183 H C -0.473 174.848 175.328 -0.011 0.000 1.190 183 H CA -0.005 56.041 56.048 -0.004 0.000 0.934 183 H CB 0.637 30.398 29.762 -0.001 0.000 1.950 183 H HN -0.041 nan 8.280 nan 0.000 0.614 184 T N -0.195 114.392 114.554 0.054 0.000 2.906 184 T HA 0.180 4.529 4.350 -0.000 0.000 0.295 184 T C 0.739 175.433 174.700 -0.009 0.000 1.061 184 T CA -0.636 61.475 62.100 0.019 0.000 1.000 184 T CB 2.752 71.628 68.868 0.013 0.000 1.103 184 T HN 0.051 nan 8.240 nan 0.000 0.486 185 D N 0.902 121.281 120.400 -0.034 0.000 2.277 185 D HA 0.063 4.703 4.640 -0.000 0.000 0.209 185 D C 0.731 177.004 176.300 -0.045 0.000 0.970 185 D CA 1.074 55.047 54.000 -0.045 0.000 0.874 185 D CB 0.618 41.379 40.800 -0.066 0.000 0.982 185 D HN 0.558 nan 8.370 nan 0.000 0.504 186 T N 0.551 115.075 114.554 -0.050 0.000 3.293 186 T HA 0.337 4.687 4.350 -0.000 0.000 0.320 186 T C -1.859 172.828 174.700 -0.020 0.000 0.995 186 T CA -0.753 61.328 62.100 -0.033 0.000 1.041 186 T CB 0.765 69.608 68.868 -0.041 0.000 1.058 186 T HN -0.161 nan 8.240 nan 0.000 0.453 187 L N 6.682 127.911 121.223 0.010 0.000 2.272 187 L HA 0.754 5.094 4.340 -0.000 0.000 0.289 187 L C -0.879 176.014 176.870 0.039 0.000 1.032 187 L CA -0.375 54.482 54.840 0.029 0.000 0.810 187 L CB 1.172 43.265 42.059 0.056 0.000 1.205 187 L HN 0.546 nan 8.230 nan 0.000 0.422 188 V N 6.172 126.108 119.914 0.038 0.000 2.370 188 V HA 0.594 4.714 4.120 -0.000 0.000 0.283 188 V C -0.249 175.858 176.094 0.023 0.000 1.023 188 V CA -0.686 61.638 62.300 0.040 0.000 0.857 188 V CB 1.535 33.394 31.823 0.060 0.000 0.985 188 V HN 0.598 nan 8.190 nan 0.000 0.443 189 V N 3.191 123.109 119.914 0.007 0.000 2.680 189 V HA 0.763 4.883 4.120 -0.000 0.000 0.309 189 V C -0.798 175.274 176.094 -0.036 0.000 1.052 189 V CA -0.882 61.403 62.300 -0.026 0.000 0.908 189 V CB 1.839 33.627 31.823 -0.059 0.000 1.001 189 V HN 0.578 nan 8.190 nan 0.000 0.431 190 I N 4.653 125.189 120.570 -0.056 0.000 2.362 190 I HA 0.552 4.722 4.170 -0.000 0.000 0.289 190 I C -2.578 173.472 176.117 -0.113 0.000 0.994 190 I CA -2.285 58.972 61.300 -0.071 0.000 1.158 190 I CB 1.968 39.927 38.000 -0.068 0.000 1.315 190 I HN 0.445 nan 8.210 nan 0.000 0.451 191 P HA 0.283 nan 4.420 nan 0.000 0.247 191 P C 0.357 177.524 177.300 -0.221 0.000 1.756 191 P CA -0.115 62.899 63.100 -0.143 0.000 1.117 191 P CB 0.009 31.653 31.700 -0.093 0.000 1.869 192 N N 1.527 120.022 118.700 -0.341 0.000 2.144 192 N HA -0.299 4.441 4.740 -0.000 0.000 0.195 192 N C 1.655 176.761 175.510 -0.675 0.000 1.006 192 N CA 1.041 53.725 53.050 -0.611 0.000 0.880 192 N CB -0.034 37.841 38.487 -1.021 0.000 1.018 192 N HN 0.356 nan 8.380 nan 0.000 0.443 193 E N 1.533 121.465 120.200 -0.447 0.000 2.085 193 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 193 E C 1.375 177.952 176.600 -0.039 0.000 0.994 193 E CA 1.318 57.639 56.400 -0.132 0.000 0.801 193 E CB 0.043 29.743 29.700 0.001 0.000 0.743 193 E HN 0.108 nan 8.360 nan 0.000 0.453 194 K N -0.021 120.338 120.400 -0.068 0.000 2.360 194 K HA -0.133 4.187 4.320 -0.000 0.000 0.201 194 K C 1.844 178.428 176.600 -0.028 0.000 1.046 194 K CA 0.391 56.668 56.287 -0.018 0.000 0.940 194 K CB -0.313 32.171 32.500 -0.028 0.000 0.748 194 K HN 0.198 nan 8.250 nan 0.000 0.465 195 L N 0.010 121.162 121.223 -0.118 0.000 2.079 195 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 195 L C 1.880 178.692 176.870 -0.098 0.000 1.081 195 L CA 1.532 56.290 54.840 -0.137 0.000 0.752 195 L CB -0.808 41.129 42.059 -0.203 0.000 0.896 195 L HN 0.049 nan 8.230 nan 0.000 0.433 196 F N -0.191 119.833 119.950 0.123 0.000 2.494 196 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 196 F C 2.284 178.113 175.800 0.049 0.000 1.106 196 F CA 0.611 58.660 58.000 0.082 0.000 1.452 196 F CB -0.706 38.343 39.000 0.081 0.000 1.085 196 F HN 0.259 nan 8.300 nan 0.000 0.569 197 E N -0.486 119.817 120.200 0.170 0.000 2.502 197 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 197 E C 1.758 178.404 176.600 0.077 0.000 1.062 197 E CA 0.259 56.725 56.400 0.110 0.000 0.867 197 E CB 0.161 29.906 29.700 0.075 0.000 0.888 197 E HN 0.441 nan 8.360 nan 0.000 0.510 198 I N -1.057 119.558 120.570 0.074 0.000 3.534 198 I HA 0.039 4.209 4.170 -0.000 0.000 0.251 198 I C 0.814 176.971 176.117 0.066 0.000 1.136 198 I CA -0.046 61.284 61.300 0.050 0.000 1.475 198 I CB 0.414 38.428 38.000 0.024 0.000 1.526 198 I HN -0.147 nan 8.210 nan 0.000 0.454 199 V N 2.309 122.270 119.914 0.078 0.000 2.953 199 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 199 V C -2.104 174.097 176.094 0.178 0.000 1.073 199 V CA -1.505 60.855 62.300 0.099 0.000 1.064 199 V CB 1.486 33.352 31.823 0.072 0.000 1.047 199 V HN -0.004 nan 8.190 nan 0.000 0.478 200 P HA 0.202 nan 4.420 nan 0.000 0.277 200 P C -0.890 176.508 177.300 0.164 0.000 1.271 200 P CA -0.608 62.568 63.100 0.125 0.000 0.795 200 P CB 0.357 32.094 31.700 0.061 0.000 1.101 201 N N 1.032 119.739 118.700 0.011 0.000 2.407 201 N HA 0.197 4.937 4.740 -0.000 0.000 0.250 201 N C 0.026 175.497 175.510 -0.066 0.000 1.236 201 N CA 0.862 53.816 53.050 -0.160 0.000 0.879 201 N CB -0.085 38.278 38.487 -0.206 0.000 1.088 201 N HN 0.461 nan 8.380 nan 0.000 0.450 202 M N -1.185 118.360 119.600 -0.093 0.000 2.694 202 M HA 0.448 4.928 4.480 -0.000 0.000 0.276 202 M C -3.168 173.078 176.300 -0.091 0.000 1.167 202 M CA -1.572 53.707 55.300 -0.035 0.000 0.849 202 M CB 1.630 34.261 32.600 0.051 0.000 1.705 202 M HN 0.015 nan 8.290 nan 0.000 0.504 203 P HA -0.010 nan 4.420 nan 0.000 0.266 203 P C 0.669 177.833 177.300 -0.227 0.000 1.193 203 P CA -0.481 62.534 63.100 -0.141 0.000 0.770 203 P CB 0.504 32.145 31.700 -0.098 0.000 0.836 204 L N 2.516 123.553 121.223 -0.310 0.000 2.447 204 L HA -0.174 4.166 4.340 -0.000 0.000 0.225 204 L C 1.682 178.151 176.870 -0.669 0.000 1.148 204 L CA 1.931 56.425 54.840 -0.578 0.000 0.808 204 L CB -0.515 41.256 42.059 -0.481 0.000 0.928 204 L HN 0.489 nan 8.230 nan 0.000 0.448 205 K N -0.588 119.634 120.400 -0.297 0.000 2.067 205 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 205 K C 1.974 178.554 176.600 -0.032 0.000 1.048 205 K CA 0.649 56.877 56.287 -0.098 0.000 0.954 205 K CB 0.169 32.659 32.500 -0.017 0.000 0.737 205 K HN 0.231 nan 8.250 nan 0.000 0.444 206 L N 1.199 122.381 121.223 -0.068 0.000 2.179 206 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 206 L C 2.483 179.341 176.870 -0.020 0.000 1.096 206 L CA 1.573 56.405 54.840 -0.014 0.000 0.779 206 L CB -1.154 40.898 42.059 -0.013 0.000 0.922 206 L HN 0.203 nan 8.230 nan 0.000 0.443 207 A N -0.621 122.113 122.820 -0.145 0.000 1.908 207 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 207 A C 2.149 179.755 177.584 0.037 0.000 1.181 207 A CA 1.509 53.424 52.037 -0.205 0.000 0.627 207 A CB -0.843 17.727 19.000 -0.716 0.000 0.818 207 A HN 0.296 nan 8.150 nan 0.000 0.445 208 F N 0.536 120.488 119.950 0.004 0.000 2.161 208 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 208 F C 2.263 178.106 175.800 0.070 0.000 1.089 208 F CA 1.340 59.405 58.000 0.108 0.000 1.282 208 F CB -0.408 38.635 39.000 0.072 0.000 1.010 208 F HN 0.133 nan 8.300 nan 0.000 0.485 209 K N 0.270 120.806 120.400 0.226 0.000 2.026 209 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 209 K C 2.355 179.017 176.600 0.103 0.000 1.048 209 K CA 1.120 57.484 56.287 0.129 0.000 0.929 209 K CB -1.260 31.290 32.500 0.084 0.000 0.713 209 K HN 0.150 nan 8.250 nan 0.000 0.439 210 V N 1.956 121.929 119.914 0.097 0.000 2.282 210 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 210 V C 2.525 178.665 176.094 0.077 0.000 1.057 210 V CA 2.204 64.545 62.300 0.069 0.000 1.032 210 V CB -0.977 30.876 31.823 0.050 0.000 0.645 210 V HN 0.343 nan 8.190 nan 0.000 0.447 211 A N -0.221 122.685 122.820 0.142 0.000 1.865 211 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 211 A C 2.039 179.659 177.584 0.059 0.000 1.191 211 A CA 2.121 54.223 52.037 0.108 0.000 0.623 211 A CB -0.826 18.299 19.000 0.209 0.000 0.826 211 A HN 0.581 nan 8.150 nan 0.000 0.444 212 D N -0.568 119.876 120.400 0.074 0.000 2.157 212 D HA -0.212 4.428 4.640 -0.000 0.000 0.191 212 D C 1.867 178.177 176.300 0.015 0.000 1.004 212 D CA 1.919 55.938 54.000 0.031 0.000 0.854 212 D CB -0.295 40.527 40.800 0.037 0.000 0.936 212 D HN 0.492 nan 8.370 nan 0.000 0.446 213 E N 0.556 120.769 120.200 0.021 0.000 2.012 213 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 213 E C 2.339 178.937 176.600 -0.003 0.000 1.007 213 E CA 0.535 56.939 56.400 0.006 0.000 0.816 213 E CB -0.550 29.155 29.700 0.009 0.000 0.762 213 E HN 0.029 nan 8.360 nan 0.000 0.451 214 V N 0.889 120.802 119.914 -0.002 0.000 2.313 214 V HA -0.319 3.801 4.120 -0.000 0.000 0.253 214 V C 2.513 178.599 176.094 -0.014 0.000 1.070 214 V CA 1.959 64.252 62.300 -0.011 0.000 1.057 214 V CB -0.569 31.244 31.823 -0.016 0.000 0.653 214 V HN 0.286 nan 8.190 nan 0.000 0.450 215 L N -1.034 120.181 121.223 -0.013 0.000 1.994 215 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 215 L C 2.468 179.325 176.870 -0.021 0.000 1.071 215 L CA 1.458 56.289 54.840 -0.015 0.000 0.745 215 L CB -0.452 41.596 42.059 -0.017 0.000 0.892 215 L HN 0.258 nan 8.230 nan 0.000 0.431 216 I N -0.105 120.451 120.570 -0.023 0.000 2.127 216 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 216 I C 2.393 178.487 176.117 -0.039 0.000 1.075 216 I CA 1.528 62.809 61.300 -0.032 0.000 1.334 216 I CB -1.523 36.461 38.000 -0.027 0.000 1.040 216 I HN 0.421 nan 8.210 nan 0.000 0.405 217 N N 0.887 119.567 118.700 -0.034 0.000 2.104 217 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 217 N C 1.802 177.289 175.510 -0.038 0.000 1.024 217 N CA 1.815 54.839 53.050 -0.042 0.000 0.853 217 N CB 0.122 38.587 38.487 -0.037 0.000 1.008 217 N HN 0.402 nan 8.380 nan 0.000 0.424 218 A N 0.389 123.196 122.820 -0.021 0.000 1.854 218 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 218 A C 2.587 180.165 177.584 -0.010 0.000 1.192 218 A CA 1.302 53.338 52.037 -0.001 0.000 0.611 218 A CB -0.864 18.144 19.000 0.013 0.000 0.832 218 A HN 0.120 nan 8.150 nan 0.000 0.442 219 V N 0.331 120.224 119.914 -0.035 0.000 2.261 219 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 219 V C 2.561 178.551 176.094 -0.174 0.000 1.047 219 V CA 2.448 64.684 62.300 -0.107 0.000 1.015 219 V CB -0.672 31.095 31.823 -0.095 0.000 0.642 219 V HN 0.657 nan 8.190 nan 0.000 0.446 220 K N 0.124 120.457 120.400 -0.113 0.000 1.991 220 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 220 K C 2.228 178.793 176.600 -0.057 0.000 1.049 220 K CA 1.775 58.002 56.287 -0.099 0.000 0.932 220 K CB -0.856 31.602 32.500 -0.069 0.000 0.717 220 K HN 0.467 nan 8.250 nan 0.000 0.441 221 G N 1.663 110.438 108.800 -0.042 0.000 2.505 221 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 221 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 221 G C 1.505 176.513 174.900 0.180 0.000 1.145 221 G CA 1.073 46.174 45.100 0.002 0.000 0.761 221 G HN 0.246 nan 8.290 nan 0.000 0.571 222 L N -0.338 120.925 121.223 0.067 0.000 1.961 222 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 222 L C 3.056 179.938 176.870 0.020 0.000 1.075 222 L CA 0.826 55.720 54.840 0.091 0.000 0.749 222 L CB -0.613 41.518 42.059 0.120 0.000 0.890 222 L HN 0.128 nan 8.230 nan 0.000 0.433 223 V N 0.251 120.035 119.914 -0.218 0.000 2.231 223 V HA -0.365 3.755 4.120 -0.000 0.000 0.250 223 V C 2.324 178.392 176.094 -0.042 0.000 1.058 223 V CA 2.148 64.315 62.300 -0.222 0.000 1.022 223 V CB -0.620 30.979 31.823 -0.374 0.000 0.640 223 V HN 0.507 nan 8.190 nan 0.000 0.445 224 E N -0.349 119.852 120.200 0.001 0.000 2.401 224 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 224 E C 1.962 178.589 176.600 0.046 0.000 1.023 224 E CA 0.958 57.398 56.400 0.067 0.000 0.859 224 E CB -0.203 29.573 29.700 0.128 0.000 0.780 224 E HN 0.505 nan 8.360 nan 0.000 0.523 225 L N 0.253 121.462 121.223 -0.023 0.000 2.313 225 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 225 L C 1.680 178.445 176.870 -0.175 0.000 1.119 225 L CA 1.257 55.864 54.840 -0.389 0.000 0.809 225 L CB 0.066 41.986 42.059 -0.232 0.000 0.933 225 L HN 0.021 nan 8.230 nan 0.000 0.449 226 I N -1.177 119.372 120.570 -0.034 0.000 2.685 226 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 226 I C 2.151 178.272 176.117 0.006 0.000 1.102 226 I CA 1.158 62.476 61.300 0.031 0.000 1.442 226 I CB -0.317 37.773 38.000 0.149 0.000 1.194 226 I HN 0.345 nan 8.210 nan 0.000 0.448 227 T N -1.545 113.007 114.554 -0.004 0.000 3.067 227 T HA -0.011 4.339 4.350 -0.000 0.000 0.257 227 T C 0.909 175.597 174.700 -0.021 0.000 1.105 227 T CA 0.136 62.224 62.100 -0.020 0.000 1.104 227 T CB -0.018 68.834 68.868 -0.027 0.000 0.925 227 T HN 0.017 nan 8.240 nan 0.000 0.498 228 K N 1.708 122.098 120.400 -0.016 0.000 2.172 228 K HA 0.187 4.507 4.320 -0.000 0.000 0.276 228 K C -1.012 175.579 176.600 -0.015 0.000 1.013 228 K CA -0.678 55.607 56.287 -0.003 0.000 0.913 228 K CB 0.669 33.189 32.500 0.032 0.000 1.055 228 K HN 0.146 nan 8.250 nan 0.000 0.461 229 D N 2.601 122.997 120.400 -0.007 0.000 2.348 229 D HA 0.162 4.802 4.640 -0.000 0.000 0.253 229 D C 0.095 176.396 176.300 0.002 0.000 1.161 229 D CA 0.336 54.331 54.000 -0.008 0.000 0.876 229 D CB 1.615 42.412 40.800 -0.005 0.000 1.160 229 D HN 0.737 nan 8.370 nan 0.000 0.459 230 G N 0.683 109.480 108.800 -0.005 0.000 3.211 230 G HA2 0.360 4.319 3.960 -0.000 0.000 0.262 230 G HA3 0.360 4.319 3.960 -0.000 0.000 0.262 230 G C 0.858 175.765 174.900 0.012 0.000 1.352 230 G CA -0.655 44.451 45.100 0.011 0.000 1.004 230 G HN 0.420 nan 8.290 nan 0.000 0.559 231 L N -0.462 120.776 121.223 0.026 0.000 2.551 231 L HA 0.280 4.620 4.340 -0.000 0.000 0.228 231 L C 0.338 177.224 176.870 0.027 0.000 1.153 231 L CA 0.870 55.727 54.840 0.029 0.000 0.851 231 L CB -0.456 41.627 42.059 0.040 0.000 0.959 231 L HN 0.126 nan 8.230 nan 0.000 0.451 232 I N -0.847 119.732 120.570 0.014 0.000 2.647 232 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 232 I C -0.442 175.645 176.117 -0.051 0.000 1.078 232 I CA -0.651 60.647 61.300 -0.004 0.000 1.048 232 I CB 2.211 40.222 38.000 0.019 0.000 1.239 232 I HN -0.041 nan 8.210 nan 0.000 0.421 233 N N 3.395 122.060 118.700 -0.058 0.000 2.513 233 N HA 0.282 5.022 4.740 -0.000 0.000 0.268 233 N C -0.871 174.566 175.510 -0.121 0.000 1.180 233 N CA -0.074 52.936 53.050 -0.068 0.000 0.948 233 N CB 1.652 40.111 38.487 -0.046 0.000 1.083 233 N HN 0.238 nan 8.380 nan 0.000 0.455 234 V N 2.358 122.212 119.914 -0.100 0.000 2.380 234 V HA 0.214 4.334 4.120 -0.000 0.000 0.286 234 V C -1.054 175.013 176.094 -0.044 0.000 1.015 234 V CA -0.793 61.437 62.300 -0.117 0.000 0.834 234 V CB 1.180 32.927 31.823 -0.126 0.000 1.009 234 V HN 0.643 nan 8.190 nan 0.000 0.428 235 D N 4.268 124.641 120.400 -0.045 0.000 2.348 235 D HA 0.133 4.772 4.640 -0.000 0.000 0.253 235 D C 0.670 176.998 176.300 0.048 0.000 1.161 235 D CA -0.055 53.950 54.000 0.008 0.000 0.876 235 D CB 1.050 41.840 40.800 -0.017 0.000 1.160 235 D HN 0.503 nan 8.370 nan 0.000 0.459 236 F N 4.044 123.972 119.950 -0.038 0.000 2.269 236 F HA -0.048 4.479 4.527 0.000 0.000 0.301 236 F C 1.956 177.743 175.800 -0.023 0.000 1.082 236 F CA 1.339 59.324 58.000 -0.025 0.000 1.360 236 F CB -0.130 38.859 39.000 -0.019 0.000 1.041 236 F HN 0.488 nan 8.300 nan 0.000 0.512 237 A N -0.185 122.607 122.820 -0.048 0.000 1.972 237 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 237 A C 1.980 179.461 177.584 -0.173 0.000 1.169 237 A CA 1.936 53.899 52.037 -0.123 0.000 0.635 237 A CB -0.737 18.247 19.000 -0.026 0.000 0.810 237 A HN 0.403 nan 8.150 nan 0.000 0.446 238 D N -0.437 119.883 120.400 -0.133 0.000 2.162 238 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 238 D C 2.098 178.305 176.300 -0.154 0.000 0.967 238 D CA 1.129 55.058 54.000 -0.119 0.000 0.840 238 D CB -0.405 40.342 40.800 -0.088 0.000 0.972 238 D HN 0.201 nan 8.370 nan 0.000 0.482 239 V N 1.282 121.080 119.914 -0.193 0.000 2.287 239 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 239 V C 2.483 178.412 176.094 -0.275 0.000 1.053 239 V CA 1.659 63.845 62.300 -0.190 0.000 1.027 239 V CB -0.389 31.344 31.823 -0.149 0.000 0.646 239 V HN 0.133 nan 8.190 nan 0.000 0.447 240 K N -0.174 119.936 120.400 -0.484 0.000 2.097 240 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 240 K C 2.138 178.594 176.600 -0.240 0.000 1.049 240 K CA 1.411 57.425 56.287 -0.455 0.000 0.933 240 K CB -0.278 31.842 32.500 -0.633 0.000 0.717 240 K HN 0.460 nan 8.250 nan 0.000 0.442 241 A N 0.249 122.955 122.820 -0.190 0.000 1.854 241 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 241 A C 2.168 179.697 177.584 -0.090 0.000 1.192 241 A CA 1.481 53.448 52.037 -0.117 0.000 0.611 241 A CB -0.579 18.367 19.000 -0.091 0.000 0.832 241 A HN 0.133 nan 8.150 nan 0.000 0.442 242 V N -0.093 119.769 119.914 -0.085 0.000 2.515 242 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 242 V C 2.346 178.407 176.094 -0.055 0.000 1.058 242 V CA 1.974 64.241 62.300 -0.055 0.000 1.064 242 V CB -0.715 31.085 31.823 -0.038 0.000 0.675 242 V HN 0.548 nan 8.190 nan 0.000 0.461 243 M N -0.494 119.057 119.600 -0.080 0.000 2.428 243 M HA 0.111 4.591 4.480 -0.000 0.000 0.239 243 M C 1.594 177.844 176.300 -0.083 0.000 1.121 243 M CA 0.217 55.472 55.300 -0.076 0.000 1.019 243 M CB -0.245 32.300 32.600 -0.092 0.000 1.485 243 M HN 0.274 nan 8.290 nan 0.000 0.484 244 N N 2.325 120.972 118.700 -0.087 0.000 2.512 244 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 244 N C 0.215 175.693 175.510 -0.054 0.000 1.073 244 N CA 0.933 53.937 53.050 -0.075 0.000 0.911 244 N CB 0.012 38.452 38.487 -0.077 0.000 0.964 244 N HN 0.655 nan 8.380 nan 0.000 0.447 245 N N -2.667 116.004 118.700 -0.048 0.000 2.475 245 N HA 0.167 4.907 4.740 -0.000 0.000 0.272 245 N C 1.131 176.623 175.510 -0.030 0.000 1.482 245 N CA -0.231 52.798 53.050 -0.036 0.000 0.863 245 N CB 0.257 38.724 38.487 -0.032 0.000 1.400 245 N HN -0.182 nan 8.380 nan 0.000 0.489 246 G N 0.369 109.150 108.800 -0.032 0.000 2.462 246 G HA2 0.128 4.088 3.960 -0.000 0.000 0.220 246 G HA3 0.128 4.088 3.960 -0.000 0.000 0.220 246 G C 1.168 176.062 174.900 -0.011 0.000 1.121 246 G CA 0.753 45.841 45.100 -0.019 0.000 0.758 246 G HN 0.715 nan 8.290 nan 0.000 0.559 247 G N -0.228 108.563 108.800 -0.015 0.000 2.602 247 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.310 247 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.310 247 G C 0.146 175.052 174.900 0.010 0.000 1.183 247 G CA 0.319 45.412 45.100 -0.011 0.000 0.979 247 G HN 0.730 nan 8.290 nan 0.000 0.545 248 L N 1.415 122.651 121.223 0.022 0.000 2.317 248 L HA 0.697 5.037 4.340 -0.000 0.000 0.281 248 L C 0.456 177.351 176.870 0.041 0.000 1.024 248 L CA -0.151 54.721 54.840 0.054 0.000 0.810 248 L CB 1.393 43.503 42.059 0.086 0.000 1.240 248 L HN 1.254 nan 8.230 nan 0.000 0.427 249 A N 5.790 128.637 122.820 0.044 0.000 2.435 249 A HA 0.822 5.142 4.320 -0.000 0.000 0.304 249 A C -1.056 176.550 177.584 0.037 0.000 1.064 249 A CA -0.657 51.402 52.037 0.037 0.000 0.727 249 A CB 2.112 21.132 19.000 0.035 0.000 1.284 249 A HN 0.722 nan 8.150 nan 0.000 0.415 250 M N 2.817 122.436 119.600 0.032 0.000 2.326 250 M HA 0.378 4.858 4.480 -0.000 0.000 0.306 250 M C -0.305 176.009 176.300 0.024 0.000 1.054 250 M CA -0.374 54.941 55.300 0.025 0.000 0.922 250 M CB 1.848 34.460 32.600 0.020 0.000 1.632 250 M HN 0.814 nan 8.290 nan 0.000 0.436 251 I N 1.661 122.243 120.570 0.020 0.000 3.060 251 I HA 0.515 4.685 4.170 -0.000 0.000 0.285 251 I C 0.061 176.186 176.117 0.013 0.000 1.190 251 I CA 0.475 61.787 61.300 0.020 0.000 1.363 251 I CB 0.859 38.867 38.000 0.013 0.000 1.396 251 I HN 0.801 nan 8.210 nan 0.000 0.607 252 G N 7.583 116.392 108.800 0.015 0.000 2.552 252 G HA2 0.509 4.469 3.960 -0.000 0.000 0.288 252 G HA3 0.509 4.469 3.960 -0.000 0.000 0.288 252 G C -1.311 173.595 174.900 0.009 0.000 1.358 252 G CA -0.514 44.593 45.100 0.011 0.000 1.305 252 G HN 0.553 nan 8.290 nan 0.000 0.602 253 I N 1.416 121.988 120.570 0.003 0.000 2.603 253 I HA 0.860 5.030 4.170 -0.000 0.000 0.300 253 I C 0.614 176.731 176.117 -0.000 0.000 1.017 253 I CA -0.882 60.417 61.300 -0.001 0.000 1.098 253 I CB 2.503 40.499 38.000 -0.007 0.000 1.279 253 I HN 0.645 nan 8.210 nan 0.000 0.437 254 G N 3.535 112.333 108.800 -0.002 0.000 2.660 254 G HA2 0.769 4.729 3.960 -0.000 0.000 0.290 254 G HA3 0.769 4.729 3.960 -0.000 0.000 0.290 254 G C -1.936 172.962 174.900 -0.004 0.000 1.432 254 G CA -0.490 44.610 45.100 -0.000 0.000 0.807 254 G HN 0.736 nan 8.290 nan 0.000 0.485 255 E N -1.293 118.906 120.200 -0.002 0.000 2.552 255 E HA 0.545 4.895 4.350 -0.000 0.000 0.297 255 E C -1.370 175.230 176.600 -0.000 0.000 1.038 255 E CA -0.892 55.506 56.400 -0.003 0.000 0.856 255 E CB 1.309 31.004 29.700 -0.008 0.000 1.222 255 E HN 0.595 nan 8.360 nan 0.000 0.422 256 S N 0.119 115.820 115.700 0.001 0.000 2.671 256 S HA 0.440 4.910 4.470 -0.000 0.000 0.299 256 S C -0.860 173.741 174.600 0.002 0.000 1.116 256 S CA -0.291 57.910 58.200 0.002 0.000 0.912 256 S CB 1.900 65.102 63.200 0.003 0.000 1.130 256 S HN 0.702 nan 8.310 nan 0.000 0.501 257 D N 0.109 120.510 120.400 0.002 0.000 2.348 257 D HA 0.146 4.786 4.640 -0.000 0.000 0.283 257 D C 0.998 177.299 176.300 0.003 0.000 1.096 257 D CA 0.558 54.559 54.000 0.002 0.000 0.863 257 D CB 0.325 41.126 40.800 0.002 0.000 1.465 257 D HN 0.583 nan 8.370 nan 0.000 0.515 258 S N 0.562 116.263 115.700 0.003 0.000 2.700 258 S HA 0.002 4.472 4.470 -0.000 0.000 0.250 258 S C 1.420 176.022 174.600 0.003 0.000 1.355 258 S CA 0.031 58.233 58.200 0.003 0.000 0.970 258 S CB 0.465 63.667 63.200 0.003 0.000 0.975 258 S HN -0.016 nan 8.310 nan 0.000 0.563 259 E N 1.488 121.690 120.200 0.003 0.000 2.028 259 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 259 E C 1.054 177.656 176.600 0.003 0.000 0.988 259 E CA 1.147 57.548 56.400 0.003 0.000 0.799 259 E CB -0.263 29.439 29.700 0.003 0.000 0.755 259 E HN 0.743 nan 8.360 nan 0.000 0.447 260 K N 2.281 122.683 120.400 0.003 0.000 3.129 260 K HA 0.131 4.451 4.320 -0.000 0.000 0.241 260 K C 1.124 177.726 176.600 0.003 0.000 1.239 260 K CA -0.150 56.139 56.287 0.003 0.000 1.239 260 K CB -0.090 32.411 32.500 0.002 0.000 1.347 260 K HN 0.097 nan 8.250 nan 0.000 0.435 261 R N 0.153 120.656 120.500 0.004 0.000 2.113 261 R HA -0.228 4.112 4.340 -0.000 0.000 0.244 261 R C 1.901 178.204 176.300 0.005 0.000 1.142 261 R CA 1.708 57.811 56.100 0.004 0.000 0.953 261 R CB -1.036 29.267 30.300 0.005 0.000 0.860 261 R HN 0.225 nan 8.270 nan 0.000 0.438 262 A N 1.797 124.621 122.820 0.006 0.000 1.851 262 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 262 A C 2.272 179.859 177.584 0.005 0.000 1.195 262 A CA 1.999 54.040 52.037 0.007 0.000 0.622 262 A CB -0.592 18.412 19.000 0.007 0.000 0.831 262 A HN 0.417 nan 8.150 nan 0.000 0.444 263 K N -0.220 120.181 120.400 0.003 0.000 2.152 263 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 263 K C 1.889 178.491 176.600 0.002 0.000 1.048 263 K CA 1.893 58.181 56.287 0.001 0.000 0.933 263 K CB -0.135 32.365 32.500 0.000 0.000 0.721 263 K HN 0.683 nan 8.250 nan 0.000 0.447 264 E N -0.847 119.355 120.200 0.003 0.000 2.030 264 E HA -0.030 4.320 4.350 -0.000 0.000 0.189 264 E C 1.981 178.583 176.600 0.004 0.000 0.974 264 E CA 0.650 57.052 56.400 0.003 0.000 0.807 264 E CB -0.166 29.536 29.700 0.004 0.000 0.771 264 E HN 0.372 nan 8.360 nan 0.000 0.451 265 A N 1.101 123.924 122.820 0.004 0.000 1.940 265 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 265 A C 2.432 180.020 177.584 0.006 0.000 1.190 265 A CA 1.904 53.944 52.037 0.005 0.000 0.647 265 A CB -1.015 17.988 19.000 0.005 0.000 0.821 265 A HN 0.151 nan 8.150 nan 0.000 0.457 266 V N 0.749 120.667 119.914 0.007 0.000 2.223 266 V HA -0.267 3.853 4.120 -0.000 0.000 0.244 266 V C 2.879 178.977 176.094 0.006 0.000 1.045 266 V CA 2.492 64.797 62.300 0.007 0.000 1.000 266 V CB -1.417 30.408 31.823 0.004 0.000 0.635 266 V HN 0.801 nan 8.190 nan 0.000 0.445 267 S N -0.319 115.383 115.700 0.004 0.000 2.465 267 S HA -0.237 4.233 4.470 -0.000 0.000 0.241 267 S C 1.909 176.512 174.600 0.006 0.000 1.000 267 S CA 1.996 60.199 58.200 0.004 0.000 0.964 267 S CB -0.636 62.566 63.200 0.003 0.000 0.763 267 S HN 0.557 nan 8.310 nan 0.000 0.512 268 M N 1.155 120.758 119.600 0.006 0.000 2.193 268 M HA 0.144 4.624 4.480 -0.000 0.000 0.265 268 M C 2.307 178.611 176.300 0.007 0.000 1.071 268 M CA 1.305 56.609 55.300 0.006 0.000 1.140 268 M CB -0.372 32.231 32.600 0.006 0.000 1.369 268 M HN 0.476 nan 8.290 nan 0.000 0.423 269 A N 0.486 123.311 122.820 0.007 0.000 1.929 269 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 269 A C 1.935 179.524 177.584 0.010 0.000 1.176 269 A CA 1.032 53.074 52.037 0.008 0.000 0.628 269 A CB -0.913 18.093 19.000 0.011 0.000 0.816 269 A HN 0.555 nan 8.150 nan 0.000 0.444 270 L N -0.630 120.599 121.223 0.010 0.000 2.353 270 L HA -0.136 4.204 4.340 -0.000 0.000 0.220 270 L C 1.228 178.104 176.870 0.009 0.000 1.133 270 L CA 1.106 55.952 54.840 0.010 0.000 0.798 270 L CB -0.335 41.728 42.059 0.008 0.000 0.922 270 L HN 0.492 nan 8.230 nan 0.000 0.445 271 N N -1.445 117.260 118.700 0.009 0.000 2.234 271 N HA 0.022 4.762 4.740 -0.000 0.000 0.227 271 N C 0.105 175.621 175.510 0.010 0.000 1.151 271 N CA -0.267 52.788 53.050 0.009 0.000 0.865 271 N CB 0.692 39.184 38.487 0.009 0.000 1.066 271 N HN -0.030 nan 8.380 nan 0.000 0.515 272 S N 2.182 117.887 115.700 0.008 0.000 2.488 272 S HA 0.126 4.596 4.470 -0.000 0.000 0.278 272 S C -1.222 173.382 174.600 0.006 0.000 1.259 272 S CA -1.513 56.691 58.200 0.007 0.000 1.061 272 S CB 0.667 63.869 63.200 0.004 0.000 0.910 272 S HN 0.189 nan 8.310 nan 0.000 0.491 273 P HA -0.107 nan 4.420 nan 0.000 0.224 273 P C 1.090 178.389 177.300 -0.002 0.000 1.142 273 P CA 0.565 63.669 63.100 0.008 0.000 0.778 273 P CB 0.111 31.820 31.700 0.015 0.000 0.764 274 L N -1.206 120.012 121.223 -0.008 0.000 2.376 274 L HA -0.004 4.335 4.340 -0.000 0.000 0.219 274 L C 1.856 178.721 176.870 -0.010 0.000 1.133 274 L CA 1.034 55.863 54.840 -0.018 0.000 0.816 274 L CB -0.771 41.275 42.059 -0.023 0.000 0.933 274 L HN -0.032 nan 8.230 nan 0.000 0.449 275 L N 0.299 121.522 121.223 -0.000 0.000 2.648 275 L HA 0.104 4.444 4.340 -0.000 0.000 0.238 275 L C -0.150 176.725 176.870 0.008 0.000 1.316 275 L CA -0.296 54.548 54.840 0.006 0.000 1.241 275 L CB -0.206 41.859 42.059 0.010 0.000 1.499 275 L HN 0.032 nan 8.230 nan 0.000 0.411 276 D N 1.726 122.129 120.400 0.006 0.000 2.470 276 D HA 0.332 4.972 4.640 -0.000 0.000 0.226 276 D C -0.637 175.673 176.300 0.016 0.000 1.196 276 D CA 0.385 54.391 54.000 0.009 0.000 0.979 276 D CB 0.383 41.186 40.800 0.004 0.000 1.059 276 D HN 0.061 nan 8.370 nan 0.000 0.515 277 V N 2.659 122.583 119.914 0.017 0.000 3.045 277 V HA 0.120 4.239 4.120 -0.000 0.000 0.261 277 V C -1.760 174.344 176.094 0.016 0.000 1.836 277 V CA -1.085 61.227 62.300 0.020 0.000 0.950 277 V CB 1.927 33.766 31.823 0.026 0.000 1.363 277 V HN 0.285 nan 8.190 nan 0.000 0.454 278 D N 3.033 123.442 120.400 0.015 0.000 2.302 278 D HA 0.452 5.092 4.640 -0.000 0.000 0.248 278 D C 0.835 177.142 176.300 0.012 0.000 1.094 278 D CA 0.283 54.290 54.000 0.012 0.000 0.897 278 D CB 1.426 42.232 40.800 0.010 0.000 1.200 278 D HN 0.736 nan 8.370 nan 0.000 0.429 279 I N -0.511 120.066 120.570 0.010 0.000 4.050 279 I HA 0.202 4.372 4.170 -0.000 0.000 0.327 279 I C 0.800 176.922 176.117 0.007 0.000 1.473 279 I CA -0.445 60.861 61.300 0.010 0.000 1.124 279 I CB 0.384 38.391 38.000 0.012 0.000 1.129 279 I HN 0.074 nan 8.210 nan 0.000 0.428 280 D N 2.273 122.676 120.400 0.006 0.000 2.182 280 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 280 D C 1.672 177.974 176.300 0.003 0.000 0.986 280 D CA 1.496 55.498 54.000 0.004 0.000 0.847 280 D CB -0.466 40.336 40.800 0.003 0.000 0.942 280 D HN 0.400 nan 8.370 nan 0.000 0.467 281 G N -0.553 108.248 108.800 0.003 0.000 4.125 281 G HA2 0.490 4.450 3.960 -0.000 0.000 0.301 281 G HA3 0.490 4.450 3.960 -0.000 0.000 0.301 281 G C -0.014 174.888 174.900 0.003 0.000 1.273 281 G CA -0.186 44.915 45.100 0.002 0.000 1.095 281 G HN 0.494 nan 8.290 nan 0.000 0.582 282 A N -0.046 122.777 122.820 0.005 0.000 2.492 282 A HA 0.482 4.802 4.320 -0.000 0.000 0.254 282 A C 1.408 178.995 177.584 0.006 0.000 1.091 282 A CA 0.398 52.440 52.037 0.007 0.000 0.768 282 A CB 0.658 19.665 19.000 0.011 0.000 1.028 282 A HN 0.224 nan 8.150 nan 0.000 0.498 283 T N 1.854 116.411 114.554 0.005 0.000 2.937 283 T HA 0.319 4.669 4.350 -0.000 0.000 0.260 283 T C 0.929 175.632 174.700 0.006 0.000 1.051 283 T CA 1.631 63.732 62.100 0.002 0.000 1.141 283 T CB -0.158 68.708 68.868 -0.003 0.000 0.879 283 T HN 1.086 nan 8.240 nan 0.000 0.459 284 G N -0.657 108.149 108.800 0.010 0.000 2.708 284 G HA2 0.717 4.677 3.960 -0.000 0.000 0.289 284 G HA3 0.717 4.677 3.960 -0.000 0.000 0.289 284 G C -1.853 173.061 174.900 0.025 0.000 1.416 284 G CA -0.090 45.020 45.100 0.015 0.000 0.829 284 G HN 0.450 nan 8.290 nan 0.000 0.480 285 A N -0.683 122.158 122.820 0.036 0.000 2.594 285 A HA 0.717 5.037 4.320 -0.000 0.000 0.296 285 A C -1.810 175.814 177.584 0.067 0.000 1.061 285 A CA -0.492 51.574 52.037 0.049 0.000 0.689 285 A CB 1.143 20.172 19.000 0.048 0.000 1.280 285 A HN 0.910 nan 8.150 nan 0.000 0.406 286 L N 2.370 123.637 121.223 0.074 0.000 2.377 286 L HA 0.531 4.871 4.340 -0.000 0.000 0.270 286 L C -0.986 175.949 176.870 0.109 0.000 0.991 286 L CA -0.109 54.784 54.840 0.088 0.000 0.851 286 L CB 1.395 43.503 42.059 0.082 0.000 1.218 286 L HN 0.622 nan 8.230 nan 0.000 0.420 287 I N 2.239 122.891 120.570 0.137 0.000 2.377 287 I HA 0.310 4.480 4.170 -0.000 0.000 0.293 287 I C -0.334 175.904 176.117 0.201 0.000 0.987 287 I CA -0.457 60.935 61.300 0.153 0.000 1.185 287 I CB 1.486 39.575 38.000 0.150 0.000 1.341 287 I HN 0.601 nan 8.210 nan 0.000 0.455 288 H N 5.816 124.927 119.070 0.068 0.000 2.953 288 H HA 0.410 4.966 4.556 -0.000 0.000 0.290 288 H C -1.482 173.874 175.328 0.046 0.000 1.113 288 H CA -0.686 55.396 56.048 0.057 0.000 1.454 288 H CB 1.728 31.514 29.762 0.039 0.000 1.525 288 H HN 0.428 nan 8.280 nan 0.000 0.505 289 V N 7.267 127.354 119.914 0.289 0.000 2.432 289 V HA 0.350 4.470 4.120 -0.000 0.000 0.271 289 V C -0.501 175.682 176.094 0.147 0.000 1.046 289 V CA -0.025 62.365 62.300 0.150 0.000 0.945 289 V CB 0.633 32.524 31.823 0.114 0.000 0.992 289 V HN 0.774 nan 8.190 nan 0.000 0.471 290 M N 6.237 125.850 119.600 0.022 0.000 2.664 290 M HA 0.911 5.391 4.480 -0.000 0.000 0.314 290 M C 0.202 176.504 176.300 0.003 0.000 1.200 290 M CA -0.190 55.106 55.300 -0.006 0.000 0.916 290 M CB 2.316 34.840 32.600 -0.126 0.000 1.717 290 M HN 0.803 nan 8.290 nan 0.000 0.470 291 G N 0.486 109.293 108.800 0.011 0.000 2.428 291 G HA2 0.572 4.532 3.960 -0.000 0.000 0.304 291 G HA3 0.572 4.532 3.960 -0.000 0.000 0.304 291 G C -3.429 171.477 174.900 0.011 0.000 1.303 291 G CA -0.785 44.321 45.100 0.009 0.000 0.825 291 G HN 0.399 nan 8.290 nan 0.000 0.484 292 P HA 0.211 nan 4.420 nan 0.000 0.277 292 P C 0.319 177.627 177.300 0.012 0.000 1.276 292 P CA 0.015 63.120 63.100 0.009 0.000 0.788 292 P CB 1.350 33.053 31.700 0.007 0.000 1.114 293 E N 0.496 120.703 120.200 0.011 0.000 2.209 293 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 293 E C 0.773 177.381 176.600 0.013 0.000 0.993 293 E CA 1.776 58.184 56.400 0.012 0.000 0.819 293 E CB -0.999 28.707 29.700 0.009 0.000 0.745 293 E HN 0.437 nan 8.360 nan 0.000 0.477 294 D N -0.410 119.997 120.400 0.012 0.000 2.325 294 D HA -0.008 4.632 4.640 -0.000 0.000 0.234 294 D C 0.116 176.425 176.300 0.015 0.000 1.122 294 D CA -0.337 53.670 54.000 0.012 0.000 0.850 294 D CB -0.383 40.423 40.800 0.010 0.000 0.921 294 D HN 0.145 nan 8.370 nan 0.000 0.513 295 L N 2.005 123.239 121.223 0.018 0.000 2.462 295 L HA 0.277 4.617 4.340 -0.000 0.000 0.272 295 L C 0.220 177.104 176.870 0.024 0.000 1.166 295 L CA 0.235 55.089 54.840 0.023 0.000 0.880 295 L CB 0.381 42.458 42.059 0.030 0.000 1.142 295 L HN 0.238 nan 8.230 nan 0.000 0.473 296 T N 1.994 116.563 114.554 0.024 0.000 2.952 296 T HA 0.395 4.745 4.350 -0.000 0.000 0.286 296 T C 1.275 175.992 174.700 0.028 0.000 1.024 296 T CA -0.816 61.298 62.100 0.023 0.000 1.029 296 T CB 0.880 69.758 68.868 0.018 0.000 1.094 296 T HN 0.581 nan 8.240 nan 0.000 0.515 297 L N 0.446 121.687 121.223 0.029 0.000 2.201 297 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 297 L C 2.812 179.697 176.870 0.026 0.000 1.105 297 L CA 1.018 55.879 54.840 0.035 0.000 0.775 297 L CB -0.389 41.690 42.059 0.035 0.000 0.913 297 L HN 0.720 nan 8.230 nan 0.000 0.440 298 E N 0.345 120.556 120.200 0.018 0.000 2.028 298 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 298 E C 1.978 178.583 176.600 0.007 0.000 0.988 298 E CA 1.119 57.525 56.400 0.009 0.000 0.799 298 E CB -0.109 29.596 29.700 0.007 0.000 0.755 298 E HN 0.530 nan 8.360 nan 0.000 0.447 299 E N 0.998 121.206 120.200 0.013 0.000 2.033 299 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 299 E C 2.086 178.695 176.600 0.015 0.000 1.011 299 E CA 1.401 57.809 56.400 0.013 0.000 0.815 299 E CB -0.231 29.479 29.700 0.018 0.000 0.755 299 E HN 0.234 nan 8.360 nan 0.000 0.451 300 A N 1.270 124.107 122.820 0.029 0.000 1.903 300 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 300 A C 2.120 179.708 177.584 0.007 0.000 1.191 300 A CA 2.214 54.277 52.037 0.042 0.000 0.638 300 A CB -0.620 18.424 19.000 0.073 0.000 0.823 300 A HN 0.056 nan 8.150 nan 0.000 0.451 301 R N -0.217 120.280 120.500 -0.005 0.000 2.096 301 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 301 R C 2.148 178.415 176.300 -0.055 0.000 1.139 301 R CA 2.097 58.170 56.100 -0.045 0.000 0.952 301 R CB -0.549 29.737 30.300 -0.024 0.000 0.854 301 R HN 0.633 nan 8.270 nan 0.000 0.436 302 E N -0.414 119.770 120.200 -0.028 0.000 2.049 302 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 302 E C 1.817 178.400 176.600 -0.028 0.000 1.007 302 E CA 2.027 58.413 56.400 -0.024 0.000 0.809 302 E CB -0.422 29.272 29.700 -0.010 0.000 0.749 302 E HN 0.162 nan 8.360 nan 0.000 0.450 303 V N -0.102 119.800 119.914 -0.019 0.000 2.233 303 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 303 V C 2.503 178.574 176.094 -0.038 0.000 1.050 303 V CA 1.844 64.136 62.300 -0.013 0.000 1.010 303 V CB -0.718 31.112 31.823 0.012 0.000 0.637 303 V HN 0.229 nan 8.190 nan 0.000 0.444 304 V N 0.270 120.136 119.914 -0.080 0.000 2.252 304 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 304 V C 2.751 178.764 176.094 -0.135 0.000 1.056 304 V CA 2.275 64.480 62.300 -0.160 0.000 1.022 304 V CB -1.353 30.234 31.823 -0.394 0.000 0.641 304 V HN 0.591 nan 8.190 nan 0.000 0.445 305 A N -0.330 122.419 122.820 -0.119 0.000 1.903 305 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 305 A C 2.380 179.931 177.584 -0.055 0.000 1.191 305 A CA 2.937 54.923 52.037 -0.084 0.000 0.638 305 A CB -1.175 17.787 19.000 -0.063 0.000 0.823 305 A HN 0.549 nan 8.150 nan 0.000 0.451 306 T N -0.330 114.199 114.554 -0.042 0.000 2.622 306 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 306 T C 1.877 176.564 174.700 -0.022 0.000 1.047 306 T CA 1.790 63.875 62.100 -0.025 0.000 1.159 306 T CB -0.649 68.209 68.868 -0.016 0.000 0.863 306 T HN 0.174 nan 8.240 nan 0.000 0.422 307 V N 1.352 121.253 119.914 -0.022 0.000 2.469 307 V HA -0.170 3.950 4.120 -0.000 0.000 0.251 307 V C 2.697 178.781 176.094 -0.016 0.000 1.064 307 V CA 1.824 64.116 62.300 -0.012 0.000 1.066 307 V CB -0.862 30.959 31.823 -0.003 0.000 0.667 307 V HN 0.480 nan 8.190 nan 0.000 0.461 308 S N 0.906 116.586 115.700 -0.034 0.000 2.356 308 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 308 S C 2.101 176.688 174.600 -0.021 0.000 1.032 308 S CA 1.834 60.014 58.200 -0.033 0.000 1.005 308 S CB -0.363 62.801 63.200 -0.060 0.000 0.867 308 S HN 0.818 nan 8.310 nan 0.000 0.449 309 S N 0.375 116.062 115.700 -0.021 0.000 2.660 309 S HA 0.179 4.649 4.470 -0.000 0.000 0.228 309 S C 1.461 176.056 174.600 -0.009 0.000 0.966 309 S CA -0.107 58.084 58.200 -0.014 0.000 0.940 309 S CB -0.157 63.034 63.200 -0.015 0.000 0.773 309 S HN 0.348 nan 8.310 nan 0.000 0.535 310 R N 0.405 120.901 120.500 -0.006 0.000 2.221 310 R HA 0.458 4.798 4.340 -0.000 0.000 0.195 310 R C 0.910 177.210 176.300 0.001 0.000 0.956 310 R CA 0.172 56.271 56.100 -0.002 0.000 1.064 310 R CB -0.581 29.719 30.300 0.000 0.000 1.049 310 R HN 0.427 nan 8.270 nan 0.000 0.534 311 L N 0.625 121.848 121.223 0.001 0.000 2.642 311 L HA 0.271 4.611 4.340 -0.000 0.000 0.229 311 L C 0.467 177.338 176.870 0.002 0.000 1.179 311 L CA -0.984 53.859 54.840 0.004 0.000 0.834 311 L CB -0.060 42.003 42.059 0.007 0.000 1.515 311 L HN -0.079 nan 8.230 nan 0.000 0.512 312 D N 0.975 121.376 120.400 0.003 0.000 2.488 312 D HA -0.000 4.639 4.640 -0.000 0.000 0.238 312 D C -1.492 174.808 176.300 0.001 0.000 1.138 312 D CA -1.079 52.922 54.000 0.001 0.000 0.873 312 D CB 0.798 41.598 40.800 0.001 0.000 1.183 312 D HN 0.233 nan 8.370 nan 0.000 0.458 313 P HA -0.170 nan 4.420 nan 0.000 0.224 313 P C -0.213 177.087 177.300 0.000 0.000 1.142 313 P CA 1.162 64.261 63.100 -0.002 0.000 0.778 313 P CB 0.122 31.820 31.700 -0.002 0.000 0.764 314 N N -0.861 117.840 118.700 0.001 0.000 2.351 314 N HA 0.289 5.029 4.740 -0.000 0.000 0.254 314 N C -0.180 175.334 175.510 0.006 0.000 1.241 314 N CA -0.440 52.612 53.050 0.003 0.000 0.883 314 N CB 0.542 39.030 38.487 0.001 0.000 1.202 314 N HN 0.043 nan 8.380 nan 0.000 0.512 315 A N 0.974 123.799 122.820 0.008 0.000 2.388 315 A HA 0.247 4.567 4.320 -0.000 0.000 0.257 315 A C 0.694 178.290 177.584 0.020 0.000 1.095 315 A CA -0.140 51.904 52.037 0.011 0.000 0.791 315 A CB 0.189 19.196 19.000 0.012 0.000 1.029 315 A HN 0.245 nan 8.150 nan 0.000 0.489 316 T N 0.791 115.356 114.554 0.019 0.000 2.729 316 T HA 0.574 4.924 4.350 -0.000 0.000 0.296 316 T C -0.300 174.427 174.700 0.046 0.000 0.928 316 T CA -0.139 61.977 62.100 0.027 0.000 1.045 316 T CB -0.479 68.394 68.868 0.009 0.000 0.902 316 T HN 0.353 nan 8.240 nan 0.000 0.500 317 I N 4.685 125.307 120.570 0.086 0.000 2.389 317 I HA 0.383 4.553 4.170 -0.000 0.000 0.288 317 I C -0.248 175.991 176.117 0.205 0.000 0.999 317 I CA -1.245 60.137 61.300 0.137 0.000 1.129 317 I CB 1.629 39.715 38.000 0.144 0.000 1.288 317 I HN 0.455 nan 8.210 nan 0.000 0.444 318 I N 7.514 128.161 120.570 0.128 0.000 2.321 318 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 318 I C -0.727 175.440 176.117 0.083 0.000 0.998 318 I CA -0.623 60.685 61.300 0.014 0.000 1.227 318 I CB 0.667 38.651 38.000 -0.026 0.000 1.368 318 I HN 0.449 nan 8.210 nan 0.000 0.466 319 Y N 3.530 123.826 120.300 -0.007 0.000 2.406 319 Y HA 0.876 5.426 4.550 -0.000 0.000 0.340 319 Y C -0.054 175.830 175.900 -0.027 0.000 0.975 319 Y CA -1.257 56.841 58.100 -0.004 0.000 1.056 319 Y CB 1.273 39.739 38.460 0.009 0.000 1.210 319 Y HN 0.573 nan 8.280 nan 0.000 0.448 320 G N 0.651 109.455 108.800 0.007 0.000 2.600 320 G HA2 0.764 4.724 3.960 -0.000 0.000 0.303 320 G HA3 0.764 4.724 3.960 -0.000 0.000 0.303 320 G C -1.604 173.326 174.900 0.051 0.000 1.253 320 G CA -0.989 44.063 45.100 -0.080 0.000 0.974 320 G HN 1.318 nan 8.290 nan 0.000 0.483 321 A N 0.531 123.380 122.820 0.050 0.000 2.768 321 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 321 A C 0.122 177.770 177.584 0.107 0.000 1.159 321 A CA 0.058 52.170 52.037 0.125 0.000 0.783 321 A CB 0.272 19.338 19.000 0.110 0.000 1.333 321 A HN 1.405 nan 8.150 nan 0.000 0.412 322 T N -0.758 113.901 114.554 0.174 0.000 2.884 322 T HA 0.813 5.163 4.350 -0.000 0.000 0.277 322 T C 0.010 174.767 174.700 0.095 0.000 0.976 322 T CA -0.699 61.482 62.100 0.134 0.000 0.956 322 T CB 0.877 69.861 68.868 0.194 0.000 1.113 322 T HN 0.392 nan 8.240 nan 0.000 0.554 323 I N 1.250 121.858 120.570 0.063 0.000 2.362 323 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 323 I C -0.630 175.504 176.117 0.028 0.000 0.994 323 I CA -0.810 60.512 61.300 0.038 0.000 1.158 323 I CB 1.609 39.626 38.000 0.028 0.000 1.315 323 I HN 0.728 nan 8.210 nan 0.000 0.451 324 D N 4.852 125.260 120.400 0.013 0.000 2.316 324 D HA 0.054 4.694 4.640 -0.000 0.000 0.245 324 D C 1.081 177.381 176.300 0.001 0.000 1.171 324 D CA -0.033 53.968 54.000 0.001 0.000 0.856 324 D CB 1.171 41.961 40.800 -0.016 0.000 1.090 324 D HN 0.538 nan 8.370 nan 0.000 0.476 325 E N 3.600 123.801 120.200 0.001 0.000 2.170 325 E HA -0.326 4.024 4.350 -0.000 0.000 0.229 325 E C -0.241 176.359 176.600 -0.001 0.000 1.074 325 E CA 2.049 58.450 56.400 0.000 0.000 0.930 325 E CB -0.200 29.499 29.700 -0.002 0.000 0.806 325 E HN 0.666 nan 8.360 nan 0.000 0.478 326 N N 0.027 118.725 118.700 -0.004 0.000 2.817 326 N HA 0.368 5.108 4.740 -0.000 0.000 0.234 326 N C -1.338 174.168 175.510 -0.006 0.000 1.066 326 N CA -0.256 52.791 53.050 -0.004 0.000 0.926 326 N CB 1.259 39.743 38.487 -0.005 0.000 1.176 326 N HN 0.111 nan 8.380 nan 0.000 0.506 327 L N 1.465 122.686 121.223 -0.004 0.000 2.392 327 L HA 0.236 4.576 4.340 -0.000 0.000 0.262 327 L C 0.766 177.636 176.870 -0.001 0.000 1.498 327 L CA -0.154 54.684 54.840 -0.004 0.000 0.820 327 L CB 0.677 42.732 42.059 -0.007 0.000 0.990 327 L HN 0.330 nan 8.230 nan 0.000 0.520 328 E N 1.520 121.719 120.200 -0.001 0.000 2.081 328 E HA -0.251 4.099 4.350 -0.000 0.000 0.235 328 E C 0.265 176.866 176.600 0.002 0.000 1.043 328 E CA 2.338 58.738 56.400 0.001 0.000 0.924 328 E CB -0.056 29.644 29.700 0.001 0.000 0.821 328 E HN 0.766 nan 8.360 nan 0.000 0.517 329 N N -0.596 118.105 118.700 0.002 0.000 2.672 329 N HA 0.219 4.959 4.740 -0.000 0.000 0.295 329 N C -1.402 174.109 175.510 0.002 0.000 1.924 329 N CA -0.197 52.855 53.050 0.003 0.000 0.851 329 N CB 1.163 39.652 38.487 0.003 0.000 1.281 329 N HN -0.162 nan 8.380 nan 0.000 0.494 330 T N -0.004 114.551 114.554 0.000 0.000 2.881 330 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 330 T C -0.666 174.032 174.700 -0.002 0.000 1.000 330 T CA -0.787 61.312 62.100 -0.001 0.000 0.978 330 T CB 1.945 70.811 68.868 -0.004 0.000 0.997 330 T HN 0.215 nan 8.240 nan 0.000 0.443 331 V N 1.792 121.706 119.914 -0.001 0.000 2.334 331 V HA 0.693 4.813 4.120 -0.000 0.000 0.281 331 V C 0.015 176.105 176.094 -0.006 0.000 1.016 331 V CA -1.070 61.230 62.300 -0.000 0.000 0.832 331 V CB 1.035 32.862 31.823 0.008 0.000 0.999 331 V HN 0.848 nan 8.190 nan 0.000 0.439 332 R N 3.539 124.028 120.500 -0.018 0.000 2.486 332 R HA 0.823 5.163 4.340 -0.000 0.000 0.286 332 R C -1.502 174.781 176.300 -0.029 0.000 0.999 332 R CA -0.498 55.585 56.100 -0.028 0.000 0.993 332 R CB 1.978 32.249 30.300 -0.047 0.000 1.084 332 R HN 0.667 nan 8.270 nan 0.000 0.487 333 V N 5.292 125.195 119.914 -0.019 0.000 2.588 333 V HA 0.337 4.457 4.120 -0.000 0.000 0.304 333 V C -1.070 175.022 176.094 -0.003 0.000 1.042 333 V CA -0.942 61.357 62.300 -0.002 0.000 0.877 333 V CB 1.646 33.478 31.823 0.016 0.000 0.996 333 V HN 0.620 nan 8.190 nan 0.000 0.425 334 L N 6.352 127.581 121.223 0.010 0.000 2.313 334 L HA 0.768 5.108 4.340 -0.000 0.000 0.283 334 L C -1.264 175.641 176.870 0.059 0.000 1.013 334 L CA -0.196 54.658 54.840 0.023 0.000 0.816 334 L CB 1.338 43.405 42.059 0.014 0.000 1.236 334 L HN 0.495 nan 8.230 nan 0.000 0.419 335 L N 5.734 126.985 121.223 0.046 0.000 2.362 335 L HA 0.665 5.005 4.340 -0.000 0.000 0.275 335 L C -0.749 176.152 176.870 0.050 0.000 0.998 335 L CA -0.316 54.555 54.840 0.051 0.000 0.820 335 L CB 2.239 44.320 42.059 0.036 0.000 1.270 335 L HN 0.407 nan 8.230 nan 0.000 0.415 336 V N 5.075 125.024 119.914 0.058 0.000 2.454 336 V HA 0.329 4.449 4.120 -0.000 0.000 0.267 336 V C -0.335 175.788 176.094 0.048 0.000 0.993 336 V CA -0.508 61.826 62.300 0.056 0.000 0.836 336 V CB 1.119 32.987 31.823 0.075 0.000 1.055 336 V HN 0.437 nan 8.190 nan 0.000 0.452 337 I N 4.628 125.221 120.570 0.038 0.000 2.436 337 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 337 I C 1.210 177.344 176.117 0.029 0.000 1.083 337 I CA 0.814 62.133 61.300 0.032 0.000 1.372 337 I CB 1.354 39.370 38.000 0.026 0.000 1.408 337 I HN 0.753 nan 8.210 nan 0.000 0.516 338 T N 2.003 116.573 114.554 0.025 0.000 2.912 338 T HA 0.650 5.000 4.350 -0.000 0.000 0.280 338 T C 0.750 175.457 174.700 0.013 0.000 0.989 338 T CA -0.299 61.812 62.100 0.019 0.000 0.995 338 T CB 1.372 70.248 68.868 0.012 0.000 1.077 338 T HN 1.123 nan 8.240 nan 0.000 0.531 339 G N -0.125 108.679 108.800 0.008 0.000 2.351 339 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.297 339 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.297 339 G C 0.300 175.203 174.900 0.005 0.000 1.054 339 G CA 0.321 45.422 45.100 0.002 0.000 1.123 339 G HN 1.975 nan 8.290 nan 0.000 0.512 340 V N -2.334 117.587 119.914 0.012 0.000 3.252 340 V HA 0.302 4.422 4.120 -0.000 0.000 0.320 340 V C 1.806 177.911 176.094 0.017 0.000 1.459 340 V CA 1.017 63.326 62.300 0.015 0.000 1.095 340 V CB 0.687 32.525 31.823 0.024 0.000 0.997 340 V HN 0.596 nan 8.190 nan 0.000 0.469 341 Q N 2.429 122.233 119.800 0.006 0.000 2.364 341 Q HA -0.130 4.210 4.340 -0.000 0.000 0.209 341 Q C 1.830 177.810 176.000 -0.033 0.000 0.977 341 Q CA 2.009 57.805 55.803 -0.012 0.000 0.885 341 Q CB -0.712 28.000 28.738 -0.045 0.000 0.941 341 Q HN 0.861 nan 8.270 nan 0.000 0.464 342 S N -0.093 115.593 115.700 -0.022 0.000 2.562 342 S HA 0.116 4.586 4.470 -0.000 0.000 0.221 342 S C 1.383 175.976 174.600 -0.012 0.000 0.975 342 S CA -0.200 57.985 58.200 -0.024 0.000 0.918 342 S CB 0.227 63.415 63.200 -0.019 0.000 0.772 342 S HN 0.219 nan 8.310 nan 0.000 0.531 343 R N -0.189 120.312 120.500 0.002 0.000 2.508 343 R HA 0.502 4.842 4.340 -0.000 0.000 0.300 343 R C -0.940 175.377 176.300 0.027 0.000 0.970 343 R CA -0.216 55.891 56.100 0.011 0.000 1.102 343 R CB -0.144 30.164 30.300 0.013 0.000 1.246 343 R HN 0.369 nan 8.270 nan 0.000 0.539 344 I N 0.416 121.008 120.570 0.037 0.000 2.646 344 I HA 0.279 4.449 4.170 -0.000 0.000 0.299 344 I C -0.406 175.760 176.117 0.082 0.000 1.036 344 I CA -1.241 60.108 61.300 0.081 0.000 1.074 344 I CB 2.377 40.461 38.000 0.140 0.000 1.258 344 I HN -0.075 nan 8.210 nan 0.000 0.430 345 E N 4.856 125.134 120.200 0.130 0.000 2.241 345 E HA 0.383 4.733 4.350 -0.000 0.000 0.263 345 E C -1.458 175.311 176.600 0.282 0.000 0.882 345 E CA -0.598 55.877 56.400 0.125 0.000 0.769 345 E CB 0.844 30.583 29.700 0.066 0.000 1.185 345 E HN 0.202 nan 8.360 nan 0.000 0.415 346 F N 2.282 122.228 119.950 -0.007 0.000 2.529 346 F HA 0.246 4.773 4.527 -0.000 0.000 0.365 346 F C 0.704 176.501 175.800 -0.004 0.000 1.102 346 F CA -0.021 57.976 58.000 -0.007 0.000 1.271 346 F CB 1.301 40.295 39.000 -0.009 0.000 1.120 346 F HN 0.283 nan 8.300 nan 0.000 0.579 347 T N 2.932 117.572 114.554 0.143 0.000 2.909 347 T HA 0.159 4.509 4.350 -0.000 0.000 0.299 347 T C 0.476 175.198 174.700 0.036 0.000 1.073 347 T CA -0.609 61.537 62.100 0.077 0.000 0.999 347 T CB 1.938 70.837 68.868 0.051 0.000 1.098 347 T HN 0.353 nan 8.240 nan 0.000 0.477 348 D N 1.479 121.899 120.400 0.034 0.000 2.311 348 D HA -0.073 4.567 4.640 -0.000 0.000 0.212 348 D C 1.987 178.291 176.300 0.006 0.000 0.972 348 D CA 1.404 55.415 54.000 0.018 0.000 0.887 348 D CB 0.093 40.906 40.800 0.022 0.000 0.915 348 D HN 0.710 nan 8.370 nan 0.000 0.497 349 T N -3.326 111.233 114.554 0.008 0.000 3.069 349 T HA 0.505 4.855 4.350 -0.000 0.000 0.252 349 T C 0.937 175.632 174.700 -0.008 0.000 1.053 349 T CA 0.177 62.280 62.100 0.005 0.000 0.964 349 T CB 1.099 69.976 68.868 0.014 0.000 1.005 349 T HN 0.215 nan 8.240 nan 0.000 0.532 350 G N 1.178 109.963 108.800 -0.025 0.000 2.293 350 G HA2 0.192 4.152 3.960 -0.000 0.000 0.282 350 G HA3 0.192 4.152 3.960 -0.000 0.000 0.282 350 G C -1.776 173.098 174.900 -0.044 0.000 1.299 350 G CA -1.025 44.043 45.100 -0.053 0.000 1.018 350 G HN 0.410 nan 8.290 nan 0.000 0.478 351 L N 0.855 122.051 121.223 -0.046 0.000 2.292 351 L HA 0.566 4.906 4.340 -0.000 0.000 0.284 351 L C 0.029 176.919 176.870 0.033 0.000 1.065 351 L CA -0.828 54.014 54.840 0.003 0.000 0.806 351 L CB 1.363 43.414 42.059 -0.013 0.000 1.175 351 L HN 0.260 nan 8.230 nan 0.000 0.431 352 K N 3.354 123.792 120.400 0.063 0.000 2.244 352 K HA 0.369 4.689 4.320 -0.000 0.000 0.260 352 K C -0.295 176.335 176.600 0.050 0.000 0.951 352 K CA -0.709 55.607 56.287 0.049 0.000 0.826 352 K CB 2.060 34.589 32.500 0.047 0.000 1.108 352 K HN 0.438 nan 8.250 nan 0.000 0.433 353 R N 2.223 122.745 120.500 0.036 0.000 3.641 353 R HA 0.006 4.345 4.340 -0.000 0.000 0.189 353 R C 0.768 177.084 176.300 0.026 0.000 1.706 353 R CA 0.096 56.215 56.100 0.032 0.000 1.311 353 R CB -0.095 30.220 30.300 0.024 0.000 1.330 353 R HN 0.455 nan 8.270 nan 0.000 0.727 354 K N 0.000 120.418 120.400 0.029 0.000 2.780 354 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 354 K CA 0.000 56.298 56.287 0.019 0.000 0.838 354 K CB 0.000 32.509 32.500 0.016 0.000 1.064 354 K HN 0.000 nan 8.250 nan 0.000 0.543