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 1ls1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GXXXXXXGLE PFYPERLAGR ILGMG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.339 4.480 -0.234 0.000 0.227 1 M C 0.000 176.180 176.300 -0.201 0.000 1.140 1 M CA 0.000 55.119 55.300 -0.302 0.000 0.988 1 M CB 0.000 32.245 32.600 -0.591 0.000 1.302 2 F N -3.182 116.780 119.950 0.021 0.000 2.576 2 F HA -0.495 4.145 4.527 0.003 -0.110 0.316 2 F C 0.891 176.694 175.800 0.004 0.000 1.063 2 F CA -0.351 57.653 58.000 0.007 0.000 1.093 2 F CB -2.273 36.729 39.000 0.002 0.000 1.399 2 F HN 0.663 8.983 8.300 0.033 0.000 0.819 3 Q N 1.332 121.231 119.800 0.165 0.000 2.045 3 Q HA -0.563 3.821 4.340 0.073 0.000 0.206 3 Q C 1.067 177.111 176.000 0.074 0.000 0.991 3 Q CA 3.679 59.536 55.803 0.089 0.000 0.851 3 Q CB -0.152 28.624 28.738 0.062 0.000 0.911 3 Q HN 0.374 8.740 8.270 0.159 0.000 0.418 4 Q N -0.183 119.656 119.800 0.065 0.000 2.050 4 Q HA -0.320 4.038 4.340 0.031 0.000 0.202 4 Q C 2.217 178.239 176.000 0.037 0.000 0.980 4 Q CA 3.231 59.056 55.803 0.037 0.000 0.840 4 Q CB -0.203 28.547 28.738 0.019 0.000 0.898 4 Q HN -0.612 7.700 8.270 0.070 0.000 0.424 5 L N -0.107 121.146 121.223 0.050 0.000 2.046 5 L HA -0.309 4.034 4.340 0.005 0.000 0.208 5 L C 1.799 178.703 176.870 0.057 0.000 1.077 5 L CA 3.051 57.913 54.840 0.037 0.000 0.747 5 L CB -0.408 41.672 42.059 0.034 0.000 0.896 5 L HN -0.696 7.574 8.230 0.067 0.000 0.432 6 S N -0.707 115.047 115.700 0.091 0.000 2.368 6 S HA -0.360 4.262 4.470 0.082 -0.103 0.225 6 S C 1.686 176.317 174.600 0.052 0.000 1.030 6 S CA 3.568 61.814 58.200 0.077 0.000 0.999 6 S CB -0.250 62.993 63.200 0.072 0.000 0.844 6 S HN 0.143 8.524 8.310 0.118 0.000 0.459 7 A N 0.879 123.725 122.820 0.044 0.000 1.898 7 A HA -0.201 4.138 4.320 0.031 0.000 0.216 7 A C 2.193 179.793 177.584 0.028 0.000 1.181 7 A CA 3.032 55.088 52.037 0.032 0.000 0.620 7 A CB -0.687 18.329 19.000 0.027 0.000 0.819 7 A HN -0.353 7.825 8.150 0.047 0.000 0.442 8 R N -1.506 119.009 120.500 0.024 0.000 2.073 8 R HA -0.271 4.079 4.340 0.016 0.000 0.229 8 R C 2.616 178.931 176.300 0.024 0.000 1.120 8 R CA 3.351 59.461 56.100 0.018 0.000 0.967 8 R CB 0.006 30.310 30.300 0.007 0.000 0.862 8 R HN -0.549 7.736 8.270 0.025 0.000 0.436 9 L N -0.764 120.478 121.223 0.031 0.000 2.046 9 L HA -0.443 3.923 4.340 0.044 0.000 0.208 9 L C 1.841 178.742 176.870 0.051 0.000 1.077 9 L CA 3.343 58.210 54.840 0.046 0.000 0.747 9 L CB -0.391 41.704 42.059 0.060 0.000 0.896 9 L HN 0.242 8.491 8.230 0.031 0.000 0.432 10 Q N -1.630 118.198 119.800 0.047 0.000 2.079 10 Q HA -0.408 3.961 4.340 0.047 0.000 0.200 10 Q C 2.718 178.739 176.000 0.033 0.000 0.974 10 Q CA 3.808 59.636 55.803 0.042 0.000 0.840 10 Q CB -0.094 28.666 28.738 0.037 0.000 0.898 10 Q HN 0.175 8.472 8.270 0.045 0.000 0.430 11 E N 0.160 120.377 120.200 0.029 0.000 2.106 11 E HA -0.331 4.032 4.350 0.021 0.000 0.192 11 E C 2.261 178.875 176.600 0.024 0.000 0.984 11 E CA 2.774 59.188 56.400 0.023 0.000 0.806 11 E CB -0.371 29.341 29.700 0.019 0.000 0.750 11 E HN -0.113 8.265 8.360 0.028 0.000 0.458 12 A N -0.800 122.037 122.820 0.029 0.000 1.902 12 A HA -0.246 4.090 4.320 0.026 0.000 0.217 12 A C 1.615 179.220 177.584 0.034 0.000 1.181 12 A CA 2.918 54.973 52.037 0.031 0.000 0.623 12 A CB -0.318 18.703 19.000 0.036 0.000 0.818 12 A HN -0.532 7.636 8.150 0.030 0.000 0.443 13 I N -3.440 117.154 120.570 0.040 0.000 2.233 13 I HA -0.356 3.838 4.170 0.040 0.000 0.243 13 I C 2.552 178.686 176.117 0.029 0.000 1.093 13 I CA 3.075 64.398 61.300 0.040 0.000 1.380 13 I CB 0.160 38.189 38.000 0.049 0.000 1.067 13 I HN -0.369 7.867 8.210 0.043 0.000 0.413 14 G N -1.202 107.614 108.800 0.026 0.000 2.448 14 G HA2 -0.310 3.661 3.960 0.019 0.000 0.219 14 G HA3 -0.310 3.661 3.960 0.019 0.000 0.219 14 G C 1.302 176.212 174.900 0.017 0.000 1.127 14 G CA 1.705 46.817 45.100 0.020 0.000 0.766 14 G HN 0.151 8.458 8.290 0.029 0.000 0.552 15 R N 0.829 121.340 120.500 0.018 0.000 2.193 15 R HA -0.263 4.085 4.340 0.014 0.000 0.229 15 R C 1.294 177.603 176.300 0.015 0.000 1.110 15 R CA 2.537 58.647 56.100 0.015 0.000 0.988 15 R CB -0.070 30.240 30.300 0.016 0.000 0.871 15 R HN -0.389 7.871 8.270 0.021 0.022 0.458 16 L N -4.078 117.155 121.223 0.017 0.000 2.567 16 L HA 0.016 4.364 4.340 0.014 0.000 0.225 16 L C -0.447 176.431 176.870 0.013 0.000 1.119 16 L CA -0.627 54.222 54.840 0.015 0.000 0.871 16 L CB 0.054 42.124 42.059 0.018 0.000 1.036 16 L HN -0.544 7.544 8.230 0.019 0.153 0.459 17 R N 0.780 121.288 120.500 0.012 0.000 2.441 17 R HA -0.093 4.253 4.340 0.009 0.000 0.284 17 R C 0.340 176.644 176.300 0.007 0.000 1.070 17 R CA 0.822 56.928 56.100 0.010 0.000 1.047 17 R CB 0.599 30.905 30.300 0.010 0.000 1.016 17 R HN -0.731 7.385 8.270 0.013 0.162 0.477 18 G N 4.217 113.021 108.800 0.006 0.000 2.249 18 G HA2 -0.229 3.733 3.960 0.004 0.000 0.273 18 G HA3 -0.229 3.733 3.960 0.004 0.000 0.273 18 G C 0.070 174.973 174.900 0.005 0.000 1.036 18 G CA 0.713 45.816 45.100 0.004 0.000 0.824 18 G HN 0.461 8.755 8.290 0.006 0.000 0.504 19 R N -1.663 118.841 120.500 0.005 0.000 2.549 19 R HA 0.180 4.523 4.340 0.005 0.000 0.344 19 R C -0.015 176.288 176.300 0.005 0.000 0.979 19 R CA -1.103 55.001 56.100 0.005 0.000 1.140 19 R CB 0.614 30.918 30.300 0.007 0.000 1.377 19 R HN -0.057 8.217 8.270 0.006 0.000 0.541 20 G N 0.632 109.434 108.800 0.004 0.000 2.539 20 G HA2 -0.343 3.619 3.960 0.003 0.000 0.256 20 G HA3 -0.343 3.619 3.960 0.004 0.000 0.256 20 G C -1.132 173.771 174.900 0.005 0.000 1.233 20 G CA -0.533 44.570 45.100 0.004 0.000 0.936 20 G HN -0.058 8.235 8.290 0.004 0.000 0.571 21 R N 0.328 120.830 120.500 0.004 0.000 2.594 21 R HA 0.024 4.511 4.340 0.005 -0.144 0.272 21 R C 0.069 176.372 176.300 0.006 0.000 1.074 21 R CA 0.338 56.441 56.100 0.005 0.000 1.105 21 R CB 0.692 30.994 30.300 0.004 0.000 1.008 21 R HN 0.014 8.286 8.270 0.004 0.000 0.472 22 I N -3.994 116.580 120.570 0.007 0.000 2.750 22 I HA 0.537 4.790 4.170 0.008 -0.078 0.308 22 I C -0.509 175.612 176.117 0.008 0.000 1.016 22 I CA -2.352 58.953 61.300 0.008 0.000 1.098 22 I CB 2.808 40.814 38.000 0.010 0.000 1.279 22 I HN 0.053 8.267 8.210 0.007 0.000 0.454 23 T N -1.521 113.038 114.554 0.008 0.000 2.881 23 T HA 0.237 4.591 4.350 0.007 0.000 0.278 23 T C 0.872 175.577 174.700 0.008 0.000 0.982 23 T CA -2.194 59.910 62.100 0.007 0.000 0.989 23 T CB 1.970 70.842 68.868 0.007 0.000 1.058 23 T HN 0.053 8.619 8.240 0.008 -0.321 0.529 24 E N 1.280 121.484 120.200 0.008 0.000 2.118 24 E HA -0.401 3.955 4.350 0.009 0.000 0.195 24 E C 1.894 178.500 176.600 0.010 0.000 0.992 24 E CA 4.130 60.535 56.400 0.008 0.000 0.804 24 E CB -0.313 29.391 29.700 0.007 0.000 0.741 24 E HN 0.619 8.983 8.360 0.007 0.000 0.458 25 E N -3.610 116.595 120.200 0.009 0.000 2.208 25 E HA -0.232 4.124 4.350 0.010 0.000 0.193 25 E C 2.087 178.694 176.600 0.011 0.000 0.988 25 E CA 2.673 59.078 56.400 0.009 0.000 0.828 25 E CB -1.013 28.692 29.700 0.008 0.000 0.763 25 E HN 0.408 8.767 8.360 0.008 0.006 0.478 26 D N 0.915 121.322 120.400 0.011 0.000 2.097 26 D HA -0.214 4.433 4.640 0.012 0.000 0.197 26 D C 2.151 178.460 176.300 0.015 0.000 0.984 26 D CA 2.938 56.945 54.000 0.012 0.000 0.826 26 D CB -0.214 40.593 40.800 0.011 0.000 0.973 26 D HN -0.707 7.551 8.370 0.010 0.118 0.460 27 L N 0.204 121.436 121.223 0.015 0.000 2.017 27 L HA -0.318 4.034 4.340 0.021 0.000 0.208 27 L C 1.309 178.191 176.870 0.021 0.000 1.073 27 L CA 3.240 58.091 54.840 0.018 0.000 0.745 27 L CB -0.107 41.961 42.059 0.016 0.000 0.894 27 L HN -0.294 7.944 8.230 0.013 0.000 0.432 28 K N -1.539 118.871 120.400 0.018 0.000 2.063 28 K HA -0.464 3.869 4.320 0.021 0.000 0.208 28 K C 2.245 178.857 176.600 0.020 0.000 1.048 28 K CA 3.700 59.998 56.287 0.018 0.000 0.928 28 K CB -0.324 32.185 32.500 0.015 0.000 0.713 28 K HN -0.051 8.208 8.250 0.015 0.000 0.442 29 A N -1.349 121.481 122.820 0.017 0.000 1.877 29 A HA -0.245 4.084 4.320 0.015 0.000 0.216 29 A C 2.064 179.660 177.584 0.021 0.000 1.186 29 A CA 3.199 55.246 52.037 0.017 0.000 0.620 29 A CB -0.896 18.112 19.000 0.014 0.000 0.822 29 A HN -0.090 8.070 8.150 0.016 0.000 0.443 30 T N 1.975 116.543 114.554 0.024 0.000 2.746 30 T HA -0.421 3.946 4.350 0.028 0.000 0.267 30 T C 2.060 176.784 174.700 0.040 0.000 1.039 30 T CA 4.936 67.054 62.100 0.031 0.000 1.142 30 T CB -0.141 68.747 68.868 0.032 0.000 0.866 30 T HN -0.470 7.784 8.240 0.023 0.000 0.444 31 L N 0.229 121.476 121.223 0.041 0.000 2.083 31 L HA -0.425 3.957 4.340 0.070 0.000 0.209 31 L C 1.870 178.767 176.870 0.045 0.000 1.083 31 L CA 3.515 58.387 54.840 0.053 0.000 0.752 31 L CB -0.625 41.464 42.059 0.049 0.000 0.899 31 L HN -0.072 8.180 8.230 0.036 0.000 0.433 32 R N -1.811 118.708 120.500 0.031 0.000 2.092 32 R HA -0.396 3.958 4.340 0.022 0.000 0.231 32 R C 2.364 178.674 176.300 0.017 0.000 1.119 32 R CA 3.654 59.767 56.100 0.021 0.000 0.970 32 R CB -0.422 29.887 30.300 0.015 0.000 0.864 32 R HN -0.131 8.155 8.270 0.028 0.000 0.440 33 E N 0.199 120.411 120.200 0.019 0.000 2.077 33 E HA -0.210 4.144 4.350 0.007 0.000 0.193 33 E C 2.294 178.901 176.600 0.011 0.000 0.989 33 E CA 2.391 58.800 56.400 0.014 0.000 0.800 33 E CB -0.772 28.938 29.700 0.017 0.000 0.746 33 E HN -0.430 7.943 8.360 0.022 0.000 0.452 34 I N -0.065 120.522 120.570 0.028 0.000 2.226 34 I HA -0.593 3.583 4.170 0.010 0.000 0.245 34 I C 1.836 177.946 176.117 -0.012 0.000 1.100 34 I CA 4.636 65.950 61.300 0.025 0.000 1.374 34 I CB -0.262 37.791 38.000 0.088 0.000 1.057 34 I HN -0.114 8.119 8.210 0.039 0.000 0.413 35 R N -0.369 120.137 120.500 0.009 0.000 2.083 35 R HA -0.452 3.872 4.340 -0.026 0.000 0.237 35 R C 2.297 178.575 176.300 -0.038 0.000 1.137 35 R CA 4.069 60.161 56.100 -0.012 0.000 0.951 35 R CB -0.193 30.114 30.300 0.013 0.000 0.851 35 R HN -0.041 8.247 8.270 0.030 0.000 0.434 36 R N -2.395 118.090 120.500 -0.024 0.000 2.096 36 R HA -0.278 4.044 4.340 -0.031 0.000 0.235 36 R C 2.099 178.373 176.300 -0.043 0.000 1.127 36 R CA 3.329 59.411 56.100 -0.029 0.000 0.968 36 R CB -0.201 30.089 30.300 -0.016 0.000 0.861 36 R HN -0.285 7.977 8.270 -0.013 0.000 0.440 37 A N -0.060 122.733 122.820 -0.045 0.000 1.902 37 A HA -0.221 4.073 4.320 -0.043 0.000 0.217 37 A C 2.057 179.586 177.584 -0.092 0.000 1.181 37 A CA 3.024 55.029 52.037 -0.054 0.000 0.623 37 A CB -0.563 18.412 19.000 -0.042 0.000 0.818 37 A HN -0.285 7.762 8.150 -0.036 0.081 0.443 38 L N -2.455 118.689 121.223 -0.132 0.000 2.046 38 L HA -0.494 3.722 4.340 -0.206 0.000 0.208 38 L C 2.431 179.216 176.870 -0.142 0.000 1.077 38 L CA 3.272 58.000 54.840 -0.187 0.000 0.747 38 L CB -0.139 41.759 42.059 -0.268 0.000 0.896 38 L HN -0.303 7.850 8.230 -0.128 0.000 0.432 39 M N -1.130 118.407 119.600 -0.104 0.000 2.254 39 M HA -0.283 4.139 4.480 -0.098 0.000 0.265 39 M C 2.559 178.812 176.300 -0.077 0.000 1.066 39 M CA 3.752 59.000 55.300 -0.086 0.000 1.123 39 M CB 0.220 32.782 32.600 -0.064 0.000 1.388 39 M HN -0.084 8.151 8.290 -0.092 0.000 0.425 40 D N -0.338 120.020 120.400 -0.069 0.000 2.269 40 D HA -0.131 4.477 4.640 -0.053 0.000 0.208 40 D C 0.304 176.560 176.300 -0.072 0.000 0.963 40 D CA 2.973 56.937 54.000 -0.059 0.000 0.864 40 D CB -0.496 40.278 40.800 -0.044 0.000 0.936 40 D HN 0.045 8.375 8.370 -0.067 0.000 0.505 41 A N -3.375 119.386 122.820 -0.098 0.000 2.302 41 A HA 0.170 4.550 4.320 -0.110 -0.126 0.219 41 A C -1.224 176.268 177.584 -0.152 0.000 1.243 41 A CA -0.927 51.033 52.037 -0.127 0.000 0.856 41 A CB 0.015 18.921 19.000 -0.156 0.000 0.893 41 A HN -0.856 7.057 8.150 -0.105 0.174 0.491 42 D N -5.335 114.992 120.400 -0.122 0.000 2.981 42 D HA -0.354 4.228 4.640 -0.097 0.000 0.223 42 D C -0.549 175.669 176.300 -0.137 0.000 1.151 42 D CA 1.160 55.091 54.000 -0.116 0.000 0.827 42 D CB -0.893 39.842 40.800 -0.109 0.000 1.101 42 D HN -0.406 7.634 8.370 -0.105 0.267 0.426 43 V N -0.993 118.829 119.914 -0.153 0.000 2.715 43 V HA -0.181 3.839 4.120 -0.167 0.000 0.299 43 V C 0.232 176.245 176.094 -0.135 0.000 1.054 43 V CA 0.202 62.404 62.300 -0.162 0.000 1.077 43 V CB -0.214 31.493 31.823 -0.194 0.000 0.972 43 V HN -0.453 7.608 8.190 -0.155 0.036 0.484 44 N N 5.619 124.238 118.700 -0.135 0.000 2.412 44 N HA -0.331 4.514 4.740 -0.095 -0.162 0.254 44 N C 1.081 176.517 175.510 -0.124 0.000 1.232 44 N CA 0.695 53.673 53.050 -0.119 0.000 0.880 44 N CB 1.848 40.259 38.487 -0.127 0.000 1.076 44 N HN -0.402 7.893 8.380 -0.142 0.000 0.458 45 L N 5.282 126.453 121.223 -0.087 0.000 2.013 45 L HA -0.251 4.048 4.340 -0.068 0.000 0.212 45 L C 1.635 178.461 176.870 -0.072 0.000 1.073 45 L CA 3.376 58.174 54.840 -0.069 0.000 0.753 45 L CB 0.164 42.198 42.059 -0.043 0.000 0.890 45 L HN 0.719 8.905 8.230 -0.072 0.000 0.432 46 E N -2.176 117.974 120.200 -0.083 0.000 2.107 46 E HA -0.342 3.996 4.350 -0.021 0.000 0.191 46 E C 2.362 178.853 176.600 -0.182 0.000 0.982 46 E CA 2.977 59.335 56.400 -0.069 0.000 0.809 46 E CB -0.282 29.423 29.700 0.009 0.000 0.756 46 E HN -0.604 7.897 8.360 -0.082 -0.190 0.459 47 V N 0.660 120.342 119.914 -0.388 0.000 2.295 47 V HA -0.397 3.317 4.120 -0.677 0.000 0.246 47 V C 2.128 178.147 176.094 -0.126 0.000 1.049 47 V CA 3.687 65.718 62.300 -0.449 0.000 1.024 47 V CB -0.759 30.813 31.823 -0.419 0.000 0.648 47 V HN -0.737 7.442 8.190 -0.361 -0.205 0.447 48 A N -1.049 121.707 122.820 -0.108 0.000 1.902 48 A HA -0.338 3.937 4.320 -0.075 0.000 0.217 48 A C 1.831 179.436 177.584 0.035 0.000 1.181 48 A CA 3.326 55.328 52.037 -0.057 0.000 0.623 48 A CB -0.806 18.137 19.000 -0.094 0.000 0.818 48 A HN 0.002 8.071 8.150 -0.134 0.000 0.443 49 R N -2.090 118.420 120.500 0.016 0.000 2.073 49 R HA -0.357 4.011 4.340 0.047 0.000 0.234 49 R C 1.605 177.953 176.300 0.080 0.000 1.134 49 R CA 3.379 59.505 56.100 0.044 0.000 0.952 49 R CB -0.164 30.152 30.300 0.027 0.000 0.850 49 R HN -0.496 7.765 8.270 -0.014 0.000 0.433 50 D N -0.961 119.493 120.400 0.090 0.000 2.144 50 D HA -0.232 4.466 4.640 0.097 0.000 0.199 50 D C 2.174 178.553 176.300 0.132 0.000 0.984 50 D CA 3.477 57.548 54.000 0.119 0.000 0.834 50 D CB -0.525 40.388 40.800 0.188 0.000 0.955 50 D HN -0.297 8.112 8.370 0.065 0.000 0.465 51 F N 1.370 121.323 119.950 0.004 0.000 2.075 51 F HA -0.317 4.219 4.527 0.014 0.000 0.297 51 F C 1.462 177.267 175.800 0.008 0.000 1.113 51 F CA 3.521 61.523 58.000 0.004 0.000 1.218 51 F CB 0.379 39.371 39.000 -0.013 0.000 0.984 51 F HN -0.258 8.205 8.300 0.272 0.000 0.472 52 V N -3.727 116.370 119.914 0.306 0.000 2.515 52 V HA -0.382 3.863 4.120 0.207 0.000 0.250 52 V C 1.792 177.926 176.094 0.066 0.000 1.058 52 V CA 3.992 66.403 62.300 0.185 0.000 1.064 52 V CB -1.040 30.881 31.823 0.164 0.000 0.675 52 V HN -0.539 7.830 8.190 0.298 0.000 0.461 53 E N 1.071 121.303 120.200 0.054 0.000 2.110 53 E HA -0.357 4.006 4.350 0.022 0.000 0.193 53 E C 2.356 178.950 176.600 -0.012 0.000 0.988 53 E CA 3.089 59.503 56.400 0.023 0.000 0.804 53 E CB -0.932 28.785 29.700 0.029 0.000 0.745 53 E HN -0.399 8.005 8.360 0.073 0.000 0.458 54 R N 0.089 120.563 120.500 -0.044 0.000 2.083 54 R HA -0.260 4.042 4.340 -0.064 0.000 0.237 54 R C 2.407 178.638 176.300 -0.114 0.000 1.137 54 R CA 2.815 58.858 56.100 -0.095 0.000 0.951 54 R CB -0.465 29.739 30.300 -0.159 0.000 0.851 54 R HN -0.235 8.014 8.270 -0.036 0.000 0.434 55 V N -0.412 119.412 119.914 -0.151 0.000 2.287 55 V HA -0.567 3.476 4.120 -0.128 0.000 0.248 55 V C 1.513 177.583 176.094 -0.040 0.000 1.053 55 V CA 4.639 66.874 62.300 -0.108 0.000 1.027 55 V CB -0.320 31.456 31.823 -0.079 0.000 0.646 55 V HN -0.215 7.867 8.190 -0.181 0.000 0.447 56 R N -0.279 120.212 120.500 -0.016 0.000 2.073 56 R HA -0.460 3.882 4.340 0.004 0.000 0.234 56 R C 1.853 178.148 176.300 -0.009 0.000 1.134 56 R CA 3.787 59.886 56.100 -0.002 0.000 0.952 56 R CB 0.020 30.326 30.300 0.009 0.000 0.850 56 R HN 0.106 8.370 8.270 -0.011 0.000 0.433 57 E N -1.440 118.751 120.200 -0.015 0.000 2.077 57 E HA -0.342 4.003 4.350 -0.008 0.000 0.193 57 E C 2.687 179.277 176.600 -0.017 0.000 0.989 57 E CA 2.897 59.289 56.400 -0.014 0.000 0.800 57 E CB -0.733 28.957 29.700 -0.016 0.000 0.746 57 E HN -0.221 8.128 8.360 -0.019 0.000 0.452 58 E N -0.532 119.651 120.200 -0.028 0.000 2.072 58 E HA -0.273 4.065 4.350 -0.021 0.000 0.191 58 E C 2.460 179.052 176.600 -0.014 0.000 0.985 58 E CA 2.427 58.812 56.400 -0.025 0.000 0.801 58 E CB -0.381 29.295 29.700 -0.040 0.000 0.750 58 E HN -0.198 8.139 8.360 -0.038 0.000 0.452 59 A N 0.066 122.878 122.820 -0.012 0.000 1.902 59 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 59 A C 2.221 179.805 177.584 -0.000 0.000 1.181 59 A CA 3.061 55.097 52.037 -0.002 0.000 0.623 59 A CB -0.393 18.609 19.000 0.003 0.000 0.818 59 A HN 0.055 8.195 8.150 -0.017 0.000 0.443 60 L N -3.391 117.831 121.223 -0.001 0.000 2.141 60 L HA -0.340 4.001 4.340 0.002 0.000 0.209 60 L C 3.006 179.875 176.870 -0.001 0.000 1.094 60 L CA 2.329 57.169 54.840 0.000 0.000 0.763 60 L CB -0.497 41.562 42.059 0.000 0.000 0.908 60 L HN 0.089 8.317 8.230 -0.003 0.000 0.437 61 G N -1.083 107.715 108.800 -0.003 0.000 2.422 61 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.218 61 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.218 61 G C 0.332 175.231 174.900 -0.002 0.000 1.140 61 G CA 1.458 46.556 45.100 -0.003 0.000 0.775 61 G HN -0.114 8.074 8.290 -0.005 0.099 0.545 62 K N -0.759 119.640 120.400 -0.001 0.000 2.476 62 K HA 0.067 4.387 4.320 0.000 0.000 0.196 62 K C -1.042 175.559 176.600 0.001 0.000 1.025 62 K CA -0.624 55.663 56.287 0.000 0.000 1.138 62 K CB -0.158 32.343 32.500 0.002 0.000 0.860 62 K HN -0.734 7.396 8.250 -0.002 0.119 0.515 63 Q N -3.788 116.012 119.800 0.001 0.000 2.468 63 Q HA -0.433 3.908 4.340 0.002 0.000 0.289 63 Q C 0.191 176.193 176.000 0.003 0.000 1.299 63 Q CA 0.513 56.317 55.803 0.002 0.000 0.838 63 Q CB -2.552 26.186 28.738 0.001 0.000 1.195 63 Q HN -0.239 7.846 8.270 0.001 0.186 0.456 64 V N -0.913 119.003 119.914 0.004 0.000 2.469 64 V HA -0.386 3.738 4.120 0.006 0.000 0.251 64 V C 0.807 176.905 176.094 0.006 0.000 1.064 64 V CA 3.205 65.509 62.300 0.006 0.000 1.066 64 V CB -0.047 31.781 31.823 0.008 0.000 0.667 64 V HN -0.439 7.753 8.190 0.004 0.000 0.461 65 L N -6.635 114.591 121.223 0.005 0.000 2.478 65 L HA -0.144 4.200 4.340 0.006 0.000 0.223 65 L C 0.920 177.793 176.870 0.004 0.000 1.140 65 L CA 1.479 56.322 54.840 0.005 0.000 0.842 65 L CB -0.452 41.610 42.059 0.005 0.000 0.953 65 L HN -0.129 8.087 8.230 0.005 0.017 0.452 66 E N -4.265 115.937 120.200 0.004 0.000 2.400 66 E HA 0.056 4.408 4.350 0.003 0.000 0.195 66 E C -0.107 176.494 176.600 0.003 0.000 1.012 66 E CA 0.125 56.527 56.400 0.003 0.000 0.875 66 E CB 0.839 30.540 29.700 0.002 0.000 0.859 66 E HN -0.659 7.564 8.360 0.003 0.139 0.498 67 S N -0.022 115.680 115.700 0.003 0.000 2.549 67 S HA -0.163 4.308 4.470 0.002 0.000 0.286 67 S C 0.654 175.256 174.600 0.003 0.000 1.314 67 S CA 0.241 58.443 58.200 0.003 0.000 1.062 67 S CB 0.291 63.494 63.200 0.004 0.000 0.865 67 S HN -0.879 7.323 8.310 0.004 0.111 0.498 68 L N 3.556 124.780 121.223 0.002 0.000 2.478 68 L HA -0.022 4.320 4.340 0.003 0.000 0.223 68 L C 0.122 176.994 176.870 0.003 0.000 1.140 68 L CA 0.839 55.680 54.840 0.002 0.000 0.842 68 L CB -0.138 41.922 42.059 0.001 0.000 0.953 68 L HN 0.329 8.560 8.230 0.002 0.000 0.452 69 T N -7.091 107.465 114.554 0.003 0.000 3.542 69 T HA 0.432 4.784 4.350 0.004 0.000 0.276 69 T C -1.567 173.136 174.700 0.006 0.000 1.412 69 T CA -3.155 58.947 62.100 0.003 0.000 1.664 69 T CB 0.474 69.343 68.868 0.001 0.000 0.863 69 T HN -0.433 7.769 8.240 0.003 0.039 0.661 70 P HA -0.128 4.298 4.420 0.009 0.000 0.220 70 P C 0.502 177.810 177.300 0.014 0.000 1.148 70 P CA 2.142 65.248 63.100 0.010 0.000 0.803 70 P CB -0.135 31.571 31.700 0.011 0.000 0.782 71 A N -2.183 120.646 122.820 0.014 0.000 1.933 71 A HA -0.287 4.046 4.320 0.022 0.000 0.218 71 A C 2.150 179.745 177.584 0.018 0.000 1.175 71 A CA 3.194 55.242 52.037 0.018 0.000 0.628 71 A CB -0.822 18.188 19.000 0.016 0.000 0.814 71 A HN 0.489 8.631 8.150 0.012 0.015 0.444 72 E N -1.934 118.273 120.200 0.011 0.000 2.106 72 E HA -0.243 4.111 4.350 0.008 0.000 0.192 72 E C 2.558 179.165 176.600 0.011 0.000 0.984 72 E CA 2.345 58.749 56.400 0.008 0.000 0.806 72 E CB -0.759 28.940 29.700 -0.001 0.000 0.750 72 E HN -0.584 7.775 8.360 0.009 0.006 0.458 73 V N 0.610 120.531 119.914 0.012 0.000 2.295 73 V HA -0.390 3.737 4.120 0.011 0.000 0.246 73 V C 2.264 178.371 176.094 0.023 0.000 1.049 73 V CA 3.937 66.245 62.300 0.014 0.000 1.024 73 V CB -0.564 31.266 31.823 0.010 0.000 0.648 73 V HN -0.821 7.375 8.190 0.011 0.000 0.447 74 I N -0.803 119.784 120.570 0.028 0.000 2.315 74 I HA -0.371 3.820 4.170 0.035 0.000 0.248 74 I C 2.493 178.645 176.117 0.057 0.000 1.117 74 I CA 3.968 65.292 61.300 0.039 0.000 1.404 74 I CB -0.081 37.944 38.000 0.040 0.000 1.071 74 I HN -0.176 8.049 8.210 0.025 0.000 0.419 75 L N 0.153 121.408 121.223 0.054 0.000 2.012 75 L HA -0.426 3.968 4.340 0.090 0.000 0.210 75 L C 1.334 178.261 176.870 0.095 0.000 1.073 75 L CA 3.380 58.263 54.840 0.072 0.000 0.748 75 L CB -0.753 41.332 42.059 0.043 0.000 0.891 75 L HN -0.011 8.244 8.230 0.042 0.000 0.431 76 A N -2.784 120.074 122.820 0.063 0.000 1.883 76 A HA -0.369 4.000 4.320 0.082 0.000 0.217 76 A C 1.782 179.437 177.584 0.120 0.000 1.186 76 A CA 3.276 55.360 52.037 0.078 0.000 0.624 76 A CB -0.505 18.514 19.000 0.032 0.000 0.822 76 A HN -0.264 7.910 8.150 0.041 0.000 0.444 77 T N -3.151 111.443 114.554 0.067 0.000 2.904 77 T HA -0.305 4.059 4.350 0.024 0.000 0.267 77 T C 1.961 176.664 174.700 0.004 0.000 1.059 77 T CA 3.193 65.309 62.100 0.025 0.000 1.137 77 T CB 0.109 68.973 68.868 -0.006 0.000 0.879 77 T HN -0.499 7.773 8.240 0.052 0.000 0.467 78 V N 2.300 122.253 119.914 0.065 0.000 2.427 78 V HA -0.408 3.727 4.120 0.025 0.000 0.248 78 V C 1.458 177.639 176.094 0.145 0.000 1.051 78 V CA 4.075 66.441 62.300 0.110 0.000 1.048 78 V CB -0.919 31.023 31.823 0.198 0.000 0.666 78 V HN 0.121 8.362 8.190 0.086 0.000 0.456 79 Y N 1.159 121.493 120.300 0.058 0.000 2.128 79 Y HA -0.533 4.067 4.550 0.082 0.000 0.284 79 Y C 1.135 177.057 175.900 0.036 0.000 1.154 79 Y CA 3.918 62.051 58.100 0.056 0.000 1.149 79 Y CB -0.206 38.273 38.460 0.031 0.000 0.976 79 Y HN 0.018 8.471 8.280 0.289 0.000 0.505 80 E N -0.986 119.219 120.200 0.009 0.000 2.110 80 E HA -0.491 3.764 4.350 -0.159 0.000 0.193 80 E C 1.983 178.489 176.600 -0.158 0.000 0.988 80 E CA 3.009 59.358 56.400 -0.085 0.000 0.804 80 E CB -0.188 29.524 29.700 0.020 0.000 0.745 80 E HN -0.467 7.988 8.360 0.158 0.000 0.458 81 A N -0.527 122.172 122.820 -0.202 0.000 1.930 81 A HA -0.191 3.953 4.320 -0.294 0.000 0.217 81 A C 2.300 179.831 177.584 -0.088 0.000 1.175 81 A CA 3.077 54.898 52.037 -0.361 0.000 0.627 81 A CB -0.695 17.741 19.000 -0.939 0.000 0.815 81 A HN -0.221 7.818 8.150 -0.185 0.000 0.443 82 L N -1.642 119.638 121.223 0.096 0.000 2.017 82 L HA -0.524 4.070 4.340 0.424 0.000 0.208 82 L C 1.889 178.776 176.870 0.028 0.000 1.073 82 L CA 3.085 58.052 54.840 0.211 0.000 0.745 82 L CB -0.480 41.670 42.059 0.153 0.000 0.894 82 L HN -0.006 8.253 8.230 0.049 0.000 0.432 83 K N -0.219 120.073 120.400 -0.180 0.000 2.015 83 K HA -0.479 3.729 4.320 -0.187 0.000 0.216 83 K C 2.316 178.883 176.600 -0.055 0.000 1.052 83 K CA 3.375 59.543 56.287 -0.199 0.000 0.937 83 K CB -0.183 32.120 32.500 -0.328 0.000 0.719 83 K HN -0.152 7.915 8.250 -0.305 0.000 0.446 84 E N -2.125 118.046 120.200 -0.048 0.000 2.077 84 E HA -0.283 4.066 4.350 -0.003 0.000 0.193 84 E C 2.598 179.231 176.600 0.055 0.000 0.989 84 E CA 2.629 59.026 56.400 -0.004 0.000 0.800 84 E CB -0.520 29.164 29.700 -0.026 0.000 0.746 84 E HN -0.268 8.043 8.360 -0.081 0.000 0.452 85 A N -0.066 122.815 122.820 0.102 0.000 1.933 85 A HA -0.268 4.139 4.320 0.146 0.000 0.218 85 A C 1.690 179.352 177.584 0.130 0.000 1.175 85 A CA 3.120 55.248 52.037 0.152 0.000 0.628 85 A CB -0.487 18.660 19.000 0.246 0.000 0.814 85 A HN -0.115 8.100 8.150 0.107 0.000 0.444 86 L N -8.379 112.932 121.223 0.146 0.000 2.552 86 L HA -0.119 4.349 4.340 0.213 0.000 0.227 86 L C 0.725 177.740 176.870 0.243 0.000 1.146 86 L CA 0.522 55.495 54.840 0.221 0.000 0.858 86 L CB 0.225 42.455 42.059 0.284 0.000 0.969 86 L HN -0.533 7.761 8.230 0.130 0.014 0.451 87 G N -5.461 103.420 108.800 0.134 0.000 2.613 87 G HA2 -0.134 3.869 3.960 0.071 0.000 0.199 87 G HA3 -0.134 3.912 3.960 0.144 0.000 0.199 87 G C 0.339 175.272 174.900 0.055 0.000 0.991 87 G CA -0.438 44.723 45.100 0.101 0.000 0.756 87 G HN -0.587 7.608 8.290 0.100 0.155 0.515 88 G N 1.354 110.173 108.800 0.032 0.000 4.526 88 G HA2 -0.491 3.579 3.960 -0.007 0.000 0.217 88 G HA3 -0.491 3.476 3.960 0.012 0.000 0.217 88 G C -2.215 172.687 174.900 0.003 0.000 1.428 88 G CA 0.246 45.350 45.100 0.008 0.000 0.928 88 G HN 0.477 8.785 8.290 0.031 0.000 0.639 89 E N 1.300 121.511 120.200 0.018 0.000 2.331 89 E HA 0.182 4.542 4.350 0.017 0.000 0.275 89 E C -2.001 174.622 176.600 0.038 0.000 0.895 89 E CA -1.974 54.440 56.400 0.024 0.000 0.753 89 E CB 3.033 32.751 29.700 0.030 0.000 1.216 89 E HN -0.489 7.826 8.360 0.027 0.061 0.434 90 A N 3.861 126.711 122.820 0.050 0.000 2.567 90 A HA -0.128 4.208 4.320 0.028 0.000 0.240 90 A C -0.202 177.428 177.584 0.076 0.000 1.053 90 A CA 1.210 53.288 52.037 0.067 0.000 0.755 90 A CB 0.356 19.464 19.000 0.181 0.000 0.978 90 A HN 0.520 8.704 8.150 0.057 0.000 0.507 91 R N 2.338 122.893 120.500 0.092 0.000 2.686 91 R HA 0.355 4.771 4.340 0.126 0.000 0.283 91 R C -1.932 174.482 176.300 0.190 0.000 0.978 91 R CA -1.225 54.974 56.100 0.164 0.000 0.897 91 R CB 3.640 34.069 30.300 0.215 0.000 1.192 91 R HN 0.434 8.754 8.270 0.084 0.000 0.457 92 L N 1.307 122.536 121.223 0.010 0.000 2.350 92 L HA 0.471 4.435 4.340 -0.627 0.000 0.260 92 L C -2.275 174.209 176.870 -0.644 0.000 1.015 92 L CA -3.559 51.049 54.840 -0.386 0.000 0.821 92 L CB 1.572 43.544 42.059 -0.146 0.000 1.370 92 L HN 0.075 8.322 8.230 0.029 0.000 0.416 93 P HA -0.129 3.865 4.420 -0.711 0.000 0.269 93 P C -1.767 175.459 177.300 -0.123 0.000 1.215 93 P CA -0.767 61.926 63.100 -0.678 0.000 0.780 93 P CB 0.380 31.560 31.700 -0.868 0.000 0.898 94 V N 1.257 121.149 119.914 -0.037 0.000 2.432 94 V HA 0.066 4.230 4.120 0.072 0.000 0.271 94 V C -0.774 175.416 176.094 0.159 0.000 1.046 94 V CA -0.589 61.750 62.300 0.066 0.000 0.945 94 V CB 0.411 32.262 31.823 0.046 0.000 0.992 94 V HN 0.016 8.160 8.190 -0.077 0.000 0.471 95 L N 8.714 130.032 121.223 0.159 0.000 2.357 95 L HA 0.294 4.882 4.340 0.175 -0.143 0.273 95 L C 0.082 176.997 176.870 0.076 0.000 1.080 95 L CA -0.601 54.316 54.840 0.129 0.000 0.803 95 L CB 0.548 42.646 42.059 0.064 0.000 1.174 95 L HN 0.301 8.619 8.230 0.146 0.000 0.443 96 K N 0.751 121.181 120.400 0.051 0.000 2.149 96 K HA 0.336 4.675 4.320 0.032 0.000 0.241 96 K C -0.533 176.068 176.600 0.001 0.000 1.083 96 K CA -1.614 54.691 56.287 0.031 0.000 0.885 96 K CB 1.733 34.257 32.500 0.039 0.000 1.374 96 K HN 0.442 9.086 8.250 0.049 -0.365 0.511 97 D N -1.513 118.886 120.400 -0.001 0.000 2.144 97 D HA -0.221 4.409 4.640 -0.015 0.000 0.200 97 D C -0.313 175.966 176.300 -0.035 0.000 0.978 97 D CA 2.395 56.386 54.000 -0.015 0.000 0.833 97 D CB 0.271 41.067 40.800 -0.008 0.000 0.961 97 D HN 0.206 8.579 8.370 0.005 0.000 0.470 98 R N -3.383 117.097 120.500 -0.033 0.000 2.670 98 R HA 0.272 4.713 4.340 -0.080 -0.150 0.289 98 R C -1.853 174.414 176.300 -0.056 0.000 0.965 98 R CA -1.734 54.333 56.100 -0.055 0.000 0.899 98 R CB 2.973 33.251 30.300 -0.036 0.000 1.173 98 R HN -0.477 7.782 8.270 -0.018 0.000 0.456 99 N N 0.709 119.337 118.700 -0.120 0.000 2.287 99 N HA 0.610 5.509 4.740 -0.005 -0.161 0.289 99 N C -2.349 173.042 175.510 -0.198 0.000 1.066 99 N CA -0.002 52.961 53.050 -0.145 0.000 0.841 99 N CB 4.465 42.723 38.487 -0.382 0.000 1.599 99 N HN -0.011 8.276 8.380 -0.155 0.000 0.476 100 L N 2.956 124.169 121.223 -0.016 0.000 2.404 100 L HA 0.647 5.329 4.340 -0.049 -0.372 0.272 100 L C -2.829 174.236 176.870 0.325 0.000 0.980 100 L CA -0.901 53.972 54.840 0.056 0.000 0.836 100 L CB 3.022 45.132 42.059 0.085 0.000 1.238 100 L HN 0.686 9.325 8.230 0.113 -0.341 0.408 101 W N 3.651 124.999 121.300 0.081 0.000 2.666 101 W HA 0.750 5.628 4.660 0.061 -0.182 0.334 101 W C -1.170 175.536 176.519 0.311 0.000 1.051 101 W CA -3.692 53.721 57.345 0.113 0.000 1.224 101 W CB 2.820 32.317 29.460 0.062 0.000 1.405 101 W HN 0.936 9.242 8.180 0.210 0.000 0.513 102 F N -0.721 119.364 119.950 0.226 0.000 2.397 102 F HA 0.429 5.176 4.527 0.125 -0.145 0.331 102 F C -0.769 175.102 175.800 0.117 0.000 1.090 102 F CA -2.850 55.232 58.000 0.137 0.000 1.065 102 F CB 1.677 40.733 39.000 0.093 0.000 1.184 102 F HN 0.379 8.951 8.300 0.453 0.000 0.499 103 L N 2.311 123.668 121.223 0.223 0.000 2.287 103 L HA 0.763 5.365 4.340 0.110 -0.195 0.287 103 L C -0.858 176.037 176.870 0.042 0.000 1.022 103 L CA -1.628 53.277 54.840 0.108 0.000 0.814 103 L CB 0.132 42.231 42.059 0.066 0.000 1.217 103 L HN 0.538 8.861 8.230 0.155 0.000 0.420 104 V N -2.351 117.554 119.914 -0.015 0.000 3.046 104 V HA 0.862 4.961 4.120 -0.036 0.000 0.316 104 V C -1.185 174.714 176.094 -0.325 0.000 1.104 104 V CA -3.898 58.334 62.300 -0.112 0.000 1.006 104 V CB 3.430 35.219 31.823 -0.057 0.000 1.058 104 V HN 0.372 8.541 8.190 -0.034 0.000 0.440 105 G N -1.117 107.450 108.800 -0.389 0.000 2.352 105 G HA2 0.061 3.592 3.960 -0.715 0.000 0.302 105 G HA3 0.061 3.860 3.960 -0.269 0.000 0.302 105 G C -2.201 172.686 174.900 -0.020 0.000 1.370 105 G CA -0.076 44.797 45.100 -0.378 0.000 0.918 105 G HN -0.221 7.946 8.290 -0.206 0.000 0.610 106 L N -1.174 120.071 121.223 0.036 0.000 2.436 106 L HA 0.082 4.603 4.340 0.146 -0.094 0.265 106 L C -0.108 176.787 176.870 0.042 0.000 1.168 106 L CA -0.439 54.458 54.840 0.096 0.000 0.815 106 L CB 1.212 43.330 42.059 0.098 0.000 1.109 106 L HN 0.391 8.616 8.230 -0.009 0.000 0.462 107 Q N 1.676 121.503 119.800 0.045 0.000 2.289 107 Q HA -0.257 4.094 4.340 0.018 0.000 0.273 107 Q C 0.704 176.716 176.000 0.019 0.000 1.029 107 Q CA 1.773 57.591 55.803 0.025 0.000 0.896 107 Q CB 0.487 29.239 28.738 0.023 0.000 1.182 107 Q HN -0.044 8.200 8.270 0.057 0.060 0.385 108 G N 5.913 114.719 108.800 0.010 0.000 2.238 108 G HA2 -0.262 3.702 3.960 0.006 0.000 0.217 108 G HA3 -0.262 3.704 3.960 0.010 0.000 0.217 108 G C 0.815 175.716 174.900 0.001 0.000 0.996 108 G CA 0.516 45.620 45.100 0.007 0.000 0.632 108 G HN 0.480 8.774 8.290 0.007 0.000 0.503 109 S N 1.730 117.428 115.700 -0.004 0.000 2.489 109 S HA -0.085 4.375 4.470 -0.015 0.000 0.228 109 S C 0.865 175.456 174.600 -0.016 0.000 0.995 109 S CA 2.301 60.491 58.200 -0.017 0.000 0.934 109 S CB 0.901 64.079 63.200 -0.037 0.000 0.771 109 S HN -0.326 7.925 8.310 -0.002 0.058 0.522 110 G N 1.401 110.195 108.800 -0.010 0.000 2.143 110 G HA2 -0.439 3.517 3.960 -0.006 0.000 0.249 110 G HA3 -0.439 3.516 3.960 -0.008 0.000 0.249 110 G C 0.502 175.394 174.900 -0.013 0.000 0.981 110 G CA 0.305 45.399 45.100 -0.009 0.000 0.665 110 G HN 0.148 8.392 8.290 -0.007 0.042 0.528 111 K N -0.013 120.375 120.400 -0.019 0.000 2.034 111 K HA -0.429 3.876 4.320 -0.024 0.000 0.214 111 K C 1.261 177.854 176.600 -0.012 0.000 1.051 111 K CA 4.075 60.349 56.287 -0.021 0.000 0.931 111 K CB -0.115 32.367 32.500 -0.029 0.000 0.715 111 K HN -0.602 7.603 8.250 -0.020 0.033 0.446 112 T N 0.112 114.661 114.554 -0.009 0.000 2.737 112 T HA -0.219 4.238 4.350 -0.007 -0.111 0.265 112 T C 1.747 176.444 174.700 -0.006 0.000 1.038 112 T CA 5.009 67.104 62.100 -0.007 0.000 1.144 112 T CB -0.665 68.199 68.868 -0.007 0.000 0.866 112 T HN 0.123 8.358 8.240 -0.009 0.000 0.434 113 T N 3.973 118.523 114.554 -0.006 0.000 2.720 113 T HA -0.444 3.903 4.350 -0.004 0.000 0.268 113 T C 1.668 176.362 174.700 -0.010 0.000 1.037 113 T CA 5.119 67.216 62.100 -0.005 0.000 1.144 113 T CB -0.275 68.591 68.868 -0.004 0.000 0.864 113 T HN -0.194 8.042 8.240 -0.006 0.000 0.444 114 T N 3.962 118.507 114.554 -0.015 0.000 2.746 114 T HA -0.453 3.874 4.350 -0.038 0.000 0.267 114 T C 1.244 175.929 174.700 -0.025 0.000 1.039 114 T CA 4.854 66.937 62.100 -0.028 0.000 1.142 114 T CB -0.125 68.727 68.868 -0.026 0.000 0.866 114 T HN -0.200 8.032 8.240 -0.013 0.000 0.444 115 A N 0.598 123.416 122.820 -0.004 0.000 1.883 115 A HA -0.314 4.024 4.320 0.029 0.000 0.217 115 A C 1.529 179.120 177.584 0.011 0.000 1.186 115 A CA 3.199 55.245 52.037 0.014 0.000 0.624 115 A CB -0.954 18.056 19.000 0.016 0.000 0.822 115 A HN -0.165 7.983 8.150 -0.003 0.000 0.444 116 A N -2.472 120.350 122.820 0.004 0.000 1.898 116 A HA -0.291 4.035 4.320 0.010 0.000 0.216 116 A C 2.176 179.765 177.584 0.009 0.000 1.181 116 A CA 3.076 55.117 52.037 0.007 0.000 0.620 116 A CB -0.760 18.241 19.000 0.003 0.000 0.819 116 A HN -0.524 7.626 8.150 0.000 0.000 0.442 117 K N -1.046 119.351 120.400 -0.005 0.000 2.057 117 K HA -0.323 4.002 4.320 0.008 0.000 0.207 117 K C 2.480 179.072 176.600 -0.013 0.000 1.049 117 K CA 3.308 59.589 56.287 -0.011 0.000 0.931 117 K CB -0.170 32.310 32.500 -0.033 0.000 0.714 117 K HN -0.460 7.782 8.250 -0.012 0.000 0.440 118 L N -1.479 119.716 121.223 -0.046 0.000 2.046 118 L HA -0.373 3.890 4.340 -0.128 0.000 0.208 118 L C 1.724 178.693 176.870 0.166 0.000 1.077 118 L CA 3.006 57.837 54.840 -0.015 0.000 0.747 118 L CB -0.417 41.635 42.059 -0.012 0.000 0.896 118 L HN 0.113 8.311 8.230 -0.053 0.000 0.432 119 A N -0.553 122.327 122.820 0.100 0.000 1.902 119 A HA -0.312 4.077 4.320 0.114 0.000 0.217 119 A C 2.031 179.671 177.584 0.092 0.000 1.181 119 A CA 3.130 55.223 52.037 0.093 0.000 0.623 119 A CB -0.775 18.246 19.000 0.035 0.000 0.818 119 A HN -0.275 7.911 8.150 0.060 0.000 0.443 120 L N -0.909 120.355 121.223 0.068 0.000 2.046 120 L HA -0.337 4.022 4.340 0.032 0.000 0.208 120 L C 1.358 178.260 176.870 0.054 0.000 1.077 120 L CA 2.829 57.699 54.840 0.050 0.000 0.747 120 L CB -0.622 41.461 42.059 0.039 0.000 0.896 120 L HN -0.381 7.883 8.230 0.056 0.000 0.432 121 Y N 0.249 120.510 120.300 -0.066 0.000 2.128 121 Y HA -0.585 3.901 4.550 -0.106 0.000 0.284 121 Y C 1.621 177.419 175.900 -0.170 0.000 1.154 121 Y CA 4.333 62.346 58.100 -0.145 0.000 1.149 121 Y CB 0.165 38.471 38.460 -0.256 0.000 0.976 121 Y HN -0.195 8.191 8.280 0.177 0.000 0.505 122 Y N -3.896 116.393 120.300 -0.018 0.000 2.314 122 Y HA -0.439 3.979 4.550 -0.219 0.000 0.293 122 Y C 1.984 177.811 175.900 -0.122 0.000 1.129 122 Y CA 3.227 61.265 58.100 -0.104 0.000 1.201 122 Y CB 0.134 38.587 38.460 -0.013 0.000 0.999 122 Y HN -0.333 8.079 8.280 0.222 0.000 0.541 123 K N 1.421 121.846 120.400 0.042 0.000 2.057 123 K HA -0.258 4.279 4.320 0.006 -0.214 0.207 123 K C 3.058 179.631 176.600 -0.046 0.000 1.049 123 K CA 3.114 59.400 56.287 -0.001 0.000 0.931 123 K CB -0.265 32.236 32.500 0.001 0.000 0.714 123 K HN -0.032 8.255 8.250 0.062 0.000 0.440 124 G N -2.301 106.442 108.800 -0.095 0.000 2.470 124 G HA2 -0.148 3.766 3.960 -0.076 0.000 0.220 124 G HA3 -0.148 3.726 3.960 -0.142 0.000 0.220 124 G C 0.381 175.195 174.900 -0.143 0.000 1.121 124 G CA 1.422 46.451 45.100 -0.118 0.000 0.766 124 G HN -0.138 8.089 8.290 -0.105 0.000 0.553 125 K N -0.345 119.947 120.400 -0.179 0.000 2.387 125 K HA 0.151 4.396 4.320 -0.124 0.000 0.198 125 K C -0.023 176.553 176.600 -0.041 0.000 1.022 125 K CA -0.935 55.273 56.287 -0.130 0.000 1.128 125 K CB 0.335 32.725 32.500 -0.182 0.000 0.853 125 K HN -0.760 7.216 8.250 -0.202 0.153 0.523 126 G N -1.850 106.932 108.800 -0.030 0.000 2.176 126 G HA2 -0.325 3.624 3.960 -0.017 0.000 0.232 126 G HA3 -0.325 3.629 3.960 -0.010 0.000 0.232 126 G C 0.195 175.093 174.900 -0.004 0.000 0.986 126 G CA -0.053 45.039 45.100 -0.013 0.000 0.643 126 G HN -0.316 7.784 8.290 -0.041 0.166 0.522 127 R N -0.279 120.228 120.500 0.011 0.000 2.583 127 R HA 0.046 4.371 4.340 -0.024 0.000 0.268 127 R C -0.531 175.755 176.300 -0.023 0.000 1.101 127 R CA -2.039 54.055 56.100 -0.010 0.000 1.180 127 R CB 0.994 31.287 30.300 -0.012 0.000 1.128 127 R HN -0.395 7.893 8.270 0.030 0.000 0.568 128 R N -0.283 120.189 120.500 -0.047 0.000 2.402 128 R HA 0.525 4.846 4.340 -0.032 0.000 0.290 128 R C -2.149 174.112 176.300 -0.064 0.000 1.321 128 R CA -2.320 53.754 56.100 -0.044 0.000 1.283 128 R CB 0.688 30.964 30.300 -0.040 0.000 1.111 128 R HN 0.108 8.685 8.270 -0.065 -0.346 0.578 129 P HA 0.798 5.354 4.420 -0.120 -0.207 0.278 129 P C -1.920 175.344 177.300 -0.060 0.000 1.258 129 P CA -1.402 61.651 63.100 -0.078 0.000 0.811 129 P CB 1.440 33.112 31.700 -0.047 0.000 1.063 130 L N 0.984 122.165 121.223 -0.069 0.000 2.409 130 L HA 0.430 4.749 4.340 -0.035 0.000 0.272 130 L C -2.121 174.725 176.870 -0.040 0.000 0.980 130 L CA -0.991 53.821 54.840 -0.046 0.000 0.826 130 L CB 3.648 45.681 42.059 -0.043 0.000 1.268 130 L HN 0.250 8.424 8.230 -0.093 0.000 0.407 131 L N 6.047 127.255 121.223 -0.025 0.000 2.326 131 L HA 0.457 4.955 4.340 -0.015 -0.167 0.278 131 L C -1.073 175.787 176.870 -0.017 0.000 1.092 131 L CA -0.579 54.251 54.840 -0.017 0.000 0.810 131 L CB 1.485 43.538 42.059 -0.011 0.000 1.153 131 L HN 0.421 8.638 8.230 -0.022 0.000 0.439 132 V N 2.395 122.298 119.914 -0.018 0.000 2.407 132 V HA 0.531 4.833 4.120 -0.022 -0.195 0.291 132 V C -1.722 174.350 176.094 -0.036 0.000 1.018 132 V CA -1.851 60.434 62.300 -0.025 0.000 0.842 132 V CB 2.699 34.507 31.823 -0.025 0.000 0.996 132 V HN 0.453 8.633 8.190 -0.016 0.000 0.426 133 A N 7.255 130.056 122.820 -0.031 0.000 2.506 133 A HA 0.367 4.665 4.320 -0.037 0.000 0.320 133 A C -1.445 176.114 177.584 -0.043 0.000 1.424 133 A CA -1.355 50.662 52.037 -0.034 0.000 1.044 133 A CB 0.114 19.100 19.000 -0.023 0.000 1.140 133 A HN 0.729 8.864 8.150 -0.026 0.000 0.538 134 A N 2.092 124.873 122.820 -0.065 0.000 2.379 134 A HA 0.078 4.360 4.320 -0.063 0.000 0.236 134 A C -1.289 176.257 177.584 -0.064 0.000 1.272 134 A CA -0.621 51.368 52.037 -0.080 0.000 0.886 134 A CB 0.495 19.411 19.000 -0.141 0.000 0.962 134 A HN 0.069 8.174 8.150 -0.074 0.000 0.504 135 D N -1.194 119.180 120.400 -0.044 0.000 2.344 135 D HA -0.069 4.553 4.640 -0.030 0.000 0.253 135 D C 0.357 176.644 176.300 -0.022 0.000 1.255 135 D CA 0.036 54.019 54.000 -0.029 0.000 0.894 135 D CB 0.260 41.048 40.800 -0.020 0.000 1.067 135 D HN -0.351 7.943 8.370 -0.040 0.052 0.492 136 T N 3.025 117.568 114.554 -0.019 0.000 3.148 136 T HA 0.069 4.411 4.350 -0.013 0.000 0.253 136 T C 0.854 175.549 174.700 -0.008 0.000 1.134 136 T CA 0.956 63.048 62.100 -0.013 0.000 1.051 136 T CB -0.046 68.815 68.868 -0.011 0.000 0.959 136 T HN 0.234 8.462 8.240 -0.020 0.000 0.525 137 Q N 0.897 120.692 119.800 -0.007 0.000 2.322 137 Q HA 0.163 4.501 4.340 -0.004 0.000 0.250 137 Q C -0.087 175.911 176.000 -0.004 0.000 0.853 137 Q CA 0.527 56.327 55.803 -0.005 0.000 0.951 137 Q CB 1.919 30.656 28.738 -0.003 0.000 1.114 137 Q HN -0.026 8.496 8.270 -0.009 -0.257 0.523 138 R N -0.008 120.489 120.500 -0.005 0.000 2.407 138 R HA 0.474 4.812 4.340 -0.003 0.000 0.298 138 R C -1.936 174.361 176.300 -0.005 0.000 1.166 138 R CA -2.708 53.389 56.100 -0.004 0.000 1.006 138 R CB 0.299 30.597 30.300 -0.003 0.000 1.145 138 R HN -0.671 7.788 8.270 -0.007 -0.193 0.538 139 P HA -0.230 4.186 4.420 -0.006 0.000 0.217 139 P C 0.736 178.033 177.300 -0.005 0.000 1.148 139 P CA 2.767 65.863 63.100 -0.005 0.000 0.828 139 P CB 0.225 31.922 31.700 -0.004 0.000 0.783 140 A N -4.068 118.750 122.820 -0.004 0.000 1.969 140 A HA -0.134 4.184 4.320 -0.003 0.000 0.218 140 A C 1.958 179.540 177.584 -0.004 0.000 1.169 140 A CA 2.617 54.652 52.037 -0.003 0.000 0.635 140 A CB -1.056 17.943 19.000 -0.002 0.000 0.810 140 A HN 0.348 8.483 8.150 -0.003 0.012 0.445 141 A N -2.042 120.775 122.820 -0.005 0.000 1.930 141 A HA -0.252 4.066 4.320 -0.005 0.000 0.217 141 A C 1.817 179.396 177.584 -0.009 0.000 1.175 141 A CA 2.729 54.763 52.037 -0.006 0.000 0.627 141 A CB -0.449 18.547 19.000 -0.007 0.000 0.815 141 A HN -0.456 7.681 8.150 -0.004 0.011 0.443 142 R N -2.969 117.525 120.500 -0.010 0.000 2.073 142 R HA -0.325 4.007 4.340 -0.014 0.000 0.229 142 R C 2.176 178.470 176.300 -0.009 0.000 1.120 142 R CA 3.353 59.446 56.100 -0.011 0.000 0.967 142 R CB -0.284 30.009 30.300 -0.012 0.000 0.862 142 R HN -0.604 7.571 8.270 -0.009 0.090 0.436 143 E N 0.193 120.389 120.200 -0.007 0.000 2.110 143 E HA -0.347 4.000 4.350 -0.005 0.000 0.193 143 E C 1.798 178.395 176.600 -0.004 0.000 0.988 143 E CA 2.852 59.249 56.400 -0.005 0.000 0.804 143 E CB -0.635 29.063 29.700 -0.004 0.000 0.745 143 E HN -0.188 8.169 8.360 -0.006 0.000 0.458 144 Q N -0.693 119.104 119.800 -0.004 0.000 2.061 144 Q HA -0.324 4.014 4.340 -0.003 0.000 0.204 144 Q C 2.345 178.342 176.000 -0.004 0.000 0.984 144 Q CA 3.135 58.936 55.803 -0.003 0.000 0.846 144 Q CB -0.060 28.677 28.738 -0.003 0.000 0.902 144 Q HN -0.504 7.763 8.270 -0.005 0.000 0.421 145 L N -0.955 120.264 121.223 -0.006 0.000 2.093 145 L HA -0.223 4.114 4.340 -0.005 0.000 0.208 145 L C 1.396 178.262 176.870 -0.006 0.000 1.085 145 L CA 2.588 57.424 54.840 -0.006 0.000 0.755 145 L CB -0.385 41.668 42.059 -0.010 0.000 0.904 145 L HN -0.697 7.529 8.230 -0.007 0.000 0.435 146 R N -0.657 119.839 120.500 -0.006 0.000 2.096 146 R HA -0.475 3.862 4.340 -0.006 0.000 0.240 146 R C 2.383 178.680 176.300 -0.004 0.000 1.139 146 R CA 3.969 60.066 56.100 -0.006 0.000 0.952 146 R CB -0.101 30.196 30.300 -0.006 0.000 0.854 146 R HN -0.316 7.950 8.270 -0.007 0.000 0.436 147 L N -2.309 118.913 121.223 -0.003 0.000 2.056 147 L HA -0.280 4.059 4.340 -0.002 0.000 0.207 147 L C 2.463 179.332 176.870 -0.001 0.000 1.078 147 L CA 2.918 57.757 54.840 -0.002 0.000 0.749 147 L CB -0.071 41.987 42.059 -0.001 0.000 0.901 147 L HN -0.272 7.956 8.230 -0.003 0.000 0.433 148 L N -2.063 119.159 121.223 -0.001 0.000 2.093 148 L HA -0.386 3.954 4.340 0.001 0.000 0.208 148 L C 2.356 179.226 176.870 0.000 0.000 1.085 148 L CA 3.093 57.933 54.840 0.000 0.000 0.755 148 L CB -0.617 41.441 42.059 -0.000 0.000 0.904 148 L HN -0.362 7.867 8.230 -0.002 0.000 0.435 149 G N -1.963 106.837 108.800 -0.001 0.000 2.440 149 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.218 149 G HA3 -0.399 3.620 3.960 -0.003 -0.061 0.218 149 G C 1.251 176.150 174.900 -0.002 0.000 1.154 149 G CA 1.994 47.093 45.100 -0.002 0.000 0.767 149 G HN 0.137 8.425 8.290 -0.002 0.000 0.552 150 E N 0.848 121.047 120.200 -0.002 0.000 2.110 150 E HA -0.315 4.033 4.350 -0.002 0.000 0.193 150 E C 1.703 178.303 176.600 -0.000 0.000 0.988 150 E CA 2.576 58.976 56.400 -0.001 0.000 0.804 150 E CB -0.231 29.468 29.700 -0.001 0.000 0.745 150 E HN -0.588 7.771 8.360 -0.002 0.000 0.458 151 K N -1.132 119.269 120.400 0.001 0.000 2.057 151 K HA -0.154 4.168 4.320 0.002 0.000 0.206 151 K C 1.979 178.582 176.600 0.003 0.000 1.050 151 K CA 2.595 58.883 56.287 0.002 0.000 0.935 151 K CB 0.454 32.956 32.500 0.003 0.000 0.715 151 K HN -0.651 7.506 8.250 0.001 0.093 0.439 152 V N -7.698 112.219 119.914 0.004 0.000 3.649 152 V HA 0.181 4.305 4.120 0.007 0.000 0.275 152 V C 0.647 176.743 176.094 0.003 0.000 1.281 152 V CA -0.213 62.091 62.300 0.006 0.000 1.143 152 V CB 0.180 32.009 31.823 0.009 0.000 0.892 152 V HN -0.426 7.766 8.190 0.003 0.000 0.441 153 G N 0.814 109.615 108.800 0.001 0.000 2.225 153 G HA2 -0.371 3.587 3.960 -0.002 0.000 0.264 153 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.264 153 G C -1.281 173.617 174.900 -0.003 0.000 1.060 153 G CA 1.015 46.114 45.100 -0.002 0.000 0.833 153 G HN -0.334 7.908 8.290 0.001 0.048 0.498 154 V N 0.492 120.404 119.914 -0.003 0.000 2.540 154 V HA 0.431 4.546 4.120 -0.008 0.000 0.302 154 V C -2.329 173.760 176.094 -0.008 0.000 1.035 154 V CA -3.680 58.616 62.300 -0.006 0.000 0.873 154 V CB 2.904 34.725 31.823 -0.003 0.000 0.992 154 V HN -0.342 7.847 8.190 -0.002 0.000 0.428 155 P HA 0.126 4.540 4.420 -0.010 0.000 0.272 155 P C -1.831 175.461 177.300 -0.013 0.000 1.223 155 P CA -0.323 62.770 63.100 -0.012 0.000 0.784 155 P CB 0.677 32.369 31.700 -0.014 0.000 0.923 156 V N 0.738 120.645 119.914 -0.011 0.000 2.525 156 V HA 0.547 4.883 4.120 -0.013 -0.224 0.299 156 V C -0.447 175.640 176.094 -0.012 0.000 1.034 156 V CA -1.559 60.733 62.300 -0.012 0.000 0.863 156 V CB 2.765 34.582 31.823 -0.010 0.000 0.999 156 V HN 0.014 8.198 8.190 -0.010 0.000 0.423 157 L N 8.631 129.846 121.223 -0.013 0.000 2.265 157 L HA 0.347 4.680 4.340 -0.011 0.000 0.288 157 L C -1.802 175.059 176.870 -0.014 0.000 1.058 157 L CA -1.437 53.396 54.840 -0.012 0.000 0.809 157 L CB 2.041 44.093 42.059 -0.011 0.000 1.179 157 L HN 0.562 8.784 8.230 -0.015 0.000 0.429 158 E N 6.921 127.114 120.200 -0.012 0.000 2.174 158 E HA 0.215 4.555 4.350 -0.016 0.000 0.282 158 E C -0.309 176.283 176.600 -0.013 0.000 0.992 158 E CA -1.461 54.931 56.400 -0.014 0.000 0.803 158 E CB 1.220 30.913 29.700 -0.011 0.000 1.090 158 E HN 0.427 8.781 8.360 -0.011 0.000 0.396 159 V N 1.257 121.161 119.914 -0.017 0.000 3.096 159 V HA 0.049 4.265 4.120 -0.012 -0.103 0.306 159 V C -0.711 175.376 176.094 -0.011 0.000 1.088 159 V CA -0.369 61.922 62.300 -0.015 0.000 1.129 159 V CB 0.625 32.436 31.823 -0.020 0.000 1.014 159 V HN -0.032 8.145 8.190 -0.021 0.000 0.486 160 M N 1.468 121.063 119.600 -0.008 0.000 2.359 160 M HA 0.089 4.566 4.480 -0.006 0.000 0.322 160 M C -0.148 176.148 176.300 -0.006 0.000 1.166 160 M CA 0.186 55.482 55.300 -0.006 0.000 1.067 160 M CB 1.308 33.906 32.600 -0.004 0.000 1.523 160 M HN 0.369 9.002 8.290 -0.007 -0.347 0.467 161 D N 0.859 121.256 120.400 -0.005 0.000 2.531 161 D HA -0.317 4.503 4.640 -0.005 -0.184 0.239 161 D C 1.656 177.954 176.300 -0.003 0.000 1.144 161 D CA 1.857 55.854 54.000 -0.004 0.000 0.869 161 D CB -0.281 40.517 40.800 -0.003 0.000 1.160 161 D HN 0.113 8.480 8.370 -0.005 0.000 0.484 162 G N 4.373 113.172 108.800 -0.003 0.000 2.166 162 G HA2 -0.493 3.466 3.960 -0.001 0.000 0.260 162 G HA3 -0.493 3.467 3.960 -0.001 0.000 0.260 162 G C -0.505 174.395 174.900 -0.000 0.000 0.986 162 G CA 0.359 45.458 45.100 -0.001 0.000 0.683 162 G HN 0.108 8.396 8.290 -0.004 0.000 0.527 163 E N 1.021 121.220 120.200 -0.002 0.000 2.384 163 E HA -0.073 4.278 4.350 0.001 0.000 0.266 163 E C -0.808 175.794 176.600 0.003 0.000 1.012 163 E CA -0.153 56.247 56.400 0.000 0.000 0.901 163 E CB 1.367 31.065 29.700 -0.002 0.000 0.967 163 E HN -0.495 7.827 8.360 -0.004 0.036 0.435 164 S N 6.068 121.772 115.700 0.006 0.000 2.593 164 S HA 0.170 4.647 4.470 0.011 0.000 0.269 164 S C -0.317 174.292 174.600 0.015 0.000 1.334 164 S CA -1.611 56.596 58.200 0.011 0.000 1.015 164 S CB 0.333 63.540 63.200 0.012 0.000 0.912 164 S HN 0.042 8.356 8.310 0.006 0.000 0.541 165 P HA -0.201 4.238 4.420 0.032 0.000 0.216 165 P C 1.413 178.734 177.300 0.035 0.000 1.150 165 P CA 2.539 65.660 63.100 0.034 0.000 0.837 165 P CB -0.034 31.695 31.700 0.048 0.000 0.786 166 E N -2.202 118.016 120.200 0.029 0.000 2.077 166 E HA -0.366 4.002 4.350 0.030 0.000 0.193 166 E C 2.048 178.661 176.600 0.021 0.000 0.989 166 E CA 3.883 60.299 56.400 0.026 0.000 0.800 166 E CB -0.874 28.839 29.700 0.021 0.000 0.746 166 E HN 0.414 8.789 8.360 0.026 0.000 0.452 167 S N -0.248 115.461 115.700 0.016 0.000 2.368 167 S HA -0.378 4.099 4.470 0.011 0.000 0.224 167 S C 1.790 176.397 174.600 0.012 0.000 1.029 167 S CA 3.294 61.501 58.200 0.012 0.000 0.988 167 S CB -0.351 62.854 63.200 0.008 0.000 0.838 167 S HN -0.479 7.840 8.310 0.015 0.000 0.462 168 I N 2.580 123.158 120.570 0.014 0.000 2.163 168 I HA -0.518 3.656 4.170 0.007 0.000 0.243 168 I C 1.386 177.515 176.117 0.021 0.000 1.085 168 I CA 4.364 65.671 61.300 0.013 0.000 1.347 168 I CB -0.382 37.623 38.000 0.010 0.000 1.044 168 I HN -0.063 8.155 8.210 0.014 0.000 0.408 169 R N -0.931 119.588 120.500 0.032 0.000 2.103 169 R HA -0.459 3.908 4.340 0.045 0.000 0.242 169 R C 1.881 178.196 176.300 0.025 0.000 1.142 169 R CA 3.922 60.045 56.100 0.037 0.000 0.960 169 R CB -0.335 29.991 30.300 0.043 0.000 0.858 169 R HN -0.105 8.186 8.270 0.034 0.000 0.439 170 R N -1.522 118.989 120.500 0.019 0.000 2.075 170 R HA -0.262 4.086 4.340 0.013 0.000 0.232 170 R C 2.404 178.710 176.300 0.009 0.000 1.126 170 R CA 3.103 59.211 56.100 0.013 0.000 0.963 170 R CB -0.293 30.013 30.300 0.011 0.000 0.858 170 R HN -0.377 7.905 8.270 0.019 0.000 0.435 171 R N -1.424 119.081 120.500 0.008 0.000 2.090 171 R HA -0.214 4.128 4.340 0.003 0.000 0.228 171 R C 2.472 178.774 176.300 0.003 0.000 1.110 171 R CA 3.356 59.459 56.100 0.004 0.000 0.973 171 R CB -0.052 30.249 30.300 0.002 0.000 0.869 171 R HN -0.254 8.022 8.270 0.009 0.000 0.440 172 V N 0.392 120.310 119.914 0.007 0.000 2.295 172 V HA -0.463 3.658 4.120 0.001 0.000 0.246 172 V C 1.877 177.973 176.094 0.004 0.000 1.049 172 V CA 4.355 66.659 62.300 0.007 0.000 1.024 172 V CB -0.631 31.202 31.823 0.017 0.000 0.648 172 V HN 0.219 8.416 8.190 0.011 0.000 0.447 173 E N -0.291 119.914 120.200 0.008 0.000 2.077 173 E HA -0.400 3.951 4.350 0.002 0.000 0.193 173 E C 1.840 178.439 176.600 -0.000 0.000 0.989 173 E CA 3.338 59.740 56.400 0.004 0.000 0.800 173 E CB -0.353 29.352 29.700 0.008 0.000 0.746 173 E HN -0.115 8.253 8.360 0.012 0.000 0.452 174 E N -0.754 119.447 120.200 0.001 0.000 2.058 174 E HA -0.402 3.947 4.350 -0.002 0.000 0.194 174 E C 2.006 178.603 176.600 -0.005 0.000 0.997 174 E CA 3.069 59.468 56.400 -0.002 0.000 0.801 174 E CB -0.056 29.644 29.700 -0.000 0.000 0.746 174 E HN -0.389 7.973 8.360 0.002 0.000 0.450 175 K N -0.876 119.521 120.400 -0.005 0.000 2.057 175 K HA -0.299 4.016 4.320 -0.008 0.000 0.207 175 K C 2.175 178.767 176.600 -0.012 0.000 1.049 175 K CA 3.127 59.409 56.287 -0.008 0.000 0.931 175 K CB -0.083 32.412 32.500 -0.009 0.000 0.714 175 K HN -0.486 7.762 8.250 -0.004 0.000 0.440 176 A N -1.999 120.812 122.820 -0.013 0.000 1.933 176 A HA -0.318 3.987 4.320 -0.024 0.000 0.218 176 A C 1.850 179.424 177.584 -0.018 0.000 1.175 176 A CA 3.189 55.214 52.037 -0.020 0.000 0.628 176 A CB -0.655 18.332 19.000 -0.022 0.000 0.814 176 A HN -0.114 8.029 8.150 -0.011 0.000 0.444 177 R N -0.965 119.527 120.500 -0.013 0.000 2.066 177 R HA -0.293 4.040 4.340 -0.012 0.000 0.232 177 R C 2.931 179.225 176.300 -0.011 0.000 1.131 177 R CA 3.123 59.217 56.100 -0.011 0.000 0.955 177 R CB -0.009 30.286 30.300 -0.007 0.000 0.851 177 R HN -0.328 7.936 8.270 -0.010 0.000 0.432 178 L N -0.931 120.286 121.223 -0.010 0.000 2.131 178 L HA -0.231 4.104 4.340 -0.008 0.000 0.210 178 L C 1.739 178.603 176.870 -0.011 0.000 1.092 178 L CA 2.536 57.371 54.840 -0.009 0.000 0.759 178 L CB 0.141 42.195 42.059 -0.008 0.000 0.903 178 L HN -0.247 7.977 8.230 -0.009 0.000 0.435 179 E N -4.495 115.697 120.200 -0.014 0.000 2.501 179 E HA 0.139 4.481 4.350 -0.014 0.000 0.201 179 E C -1.157 175.431 176.600 -0.019 0.000 1.016 179 E CA -0.894 55.497 56.400 -0.016 0.000 0.920 179 E CB 0.530 30.221 29.700 -0.016 0.000 1.023 179 E HN -0.420 7.905 8.360 -0.014 0.026 0.474 180 A N -2.093 120.715 122.820 -0.020 0.000 2.745 180 A HA -0.393 3.914 4.320 -0.022 0.000 0.296 180 A C -0.674 176.891 177.584 -0.031 0.000 1.500 180 A CA 0.717 52.740 52.037 -0.023 0.000 0.766 180 A CB -1.565 17.424 19.000 -0.019 0.000 1.030 180 A HN -0.693 7.446 8.150 -0.018 0.000 0.489 181 R N -2.864 117.615 120.500 -0.036 0.000 2.438 181 R HA -0.043 4.404 4.340 -0.052 -0.139 0.287 181 R C -0.255 176.005 176.300 -0.066 0.000 1.077 181 R CA -1.396 54.673 56.100 -0.051 0.000 1.034 181 R CB 0.450 30.720 30.300 -0.050 0.000 0.993 181 R HN -0.603 7.642 8.270 -0.032 0.005 0.459 182 D N -1.606 118.740 120.400 -0.090 0.000 2.500 182 D HA 0.036 4.618 4.640 -0.096 0.000 0.217 182 D C -0.853 175.335 176.300 -0.188 0.000 1.159 182 D CA -0.393 53.540 54.000 -0.111 0.000 0.828 182 D CB 1.464 42.213 40.800 -0.086 0.000 1.039 182 D HN 0.323 8.637 8.370 -0.093 0.000 0.512 183 L N 1.111 122.198 121.223 -0.227 0.000 2.518 183 L HA 0.383 4.581 4.340 -0.478 -0.144 0.262 183 L C -2.879 173.810 176.870 -0.303 0.000 0.982 183 L CA -0.114 54.491 54.840 -0.392 0.000 0.873 183 L CB 2.550 44.305 42.059 -0.506 0.000 1.198 183 L HN -0.921 7.200 8.230 -0.180 0.000 0.427 184 I N 6.144 126.552 120.570 -0.270 0.000 2.331 184 I HA 0.480 4.747 4.170 -0.111 -0.164 0.292 184 I C -1.461 174.588 176.117 -0.113 0.000 0.998 184 I CA -2.940 58.278 61.300 -0.137 0.000 1.267 184 I CB 0.301 38.269 38.000 -0.054 0.000 1.386 184 I HN 0.819 8.851 8.210 -0.296 0.000 0.476 185 L N 7.369 128.561 121.223 -0.051 0.000 2.318 185 L HA 0.429 4.967 4.340 0.099 -0.139 0.277 185 L C -1.334 175.565 176.870 0.048 0.000 1.008 185 L CA -1.059 53.801 54.840 0.033 0.000 0.846 185 L CB 1.548 43.616 42.059 0.015 0.000 1.220 185 L HN 0.842 9.041 8.230 -0.052 0.000 0.423 186 V N 5.070 125.039 119.914 0.092 0.000 2.334 186 V HA 0.144 4.376 4.120 -0.037 -0.134 0.267 186 V C -1.305 174.746 176.094 -0.072 0.000 1.040 186 V CA -1.375 60.911 62.300 -0.024 0.000 0.866 186 V CB -0.136 31.623 31.823 -0.107 0.000 1.019 186 V HN 0.761 9.061 8.190 0.184 0.000 0.468 187 D N 9.051 129.413 120.400 -0.064 0.000 2.402 187 D HA 0.223 4.840 4.640 -0.038 0.000 0.235 187 D C -0.255 175.985 176.300 -0.101 0.000 1.226 187 D CA -1.086 52.880 54.000 -0.057 0.000 0.918 187 D CB 0.547 41.329 40.800 -0.030 0.000 1.043 187 D HN 0.355 8.694 8.370 -0.052 0.000 0.506 188 T N 0.991 115.465 114.554 -0.133 0.000 2.754 188 T HA 0.154 4.396 4.350 -0.181 0.000 0.286 188 T C -0.994 173.673 174.700 -0.054 0.000 0.997 188 T CA -1.295 60.718 62.100 -0.145 0.000 0.982 188 T CB 1.898 70.655 68.868 -0.185 0.000 1.027 188 T HN -0.318 7.852 8.240 -0.118 0.000 0.529 189 A N -0.607 122.195 122.820 -0.029 0.000 2.520 189 A HA -0.111 4.205 4.320 -0.007 0.000 0.245 189 A C 0.111 177.718 177.584 0.037 0.000 1.072 189 A CA 0.834 52.872 52.037 0.002 0.000 0.761 189 A CB 0.276 19.279 19.000 0.006 0.000 1.004 189 A HN 0.267 8.394 8.150 -0.039 0.000 0.499 190 G N 0.619 109.437 108.800 0.029 0.000 2.335 190 G HA2 0.157 4.319 3.960 0.070 0.000 0.316 190 G HA3 0.157 4.135 3.960 0.030 0.000 0.316 190 G C -1.682 173.244 174.900 0.043 0.000 1.129 190 G CA -0.545 44.581 45.100 0.045 0.000 0.899 190 G HN 0.012 8.311 8.290 0.015 0.000 0.448 191 R N 1.546 122.083 120.500 0.062 0.000 2.867 191 R HA 0.332 4.691 4.340 0.031 0.000 0.268 191 R C 0.902 177.230 176.300 0.048 0.000 1.014 191 R CA -2.722 53.404 56.100 0.044 0.000 0.946 191 R CB 2.776 33.098 30.300 0.037 0.000 1.208 191 R HN -0.031 8.293 8.270 0.090 0.000 0.477 192 L N 0.358 121.600 121.223 0.031 0.000 2.201 192 L HA -0.163 4.196 4.340 0.032 0.000 0.212 192 L C 0.541 177.431 176.870 0.033 0.000 1.105 192 L CA 2.222 57.079 54.840 0.029 0.000 0.775 192 L CB 0.172 42.241 42.059 0.017 0.000 0.913 192 L HN 0.584 8.828 8.230 0.024 0.000 0.440 193 Q N -3.748 116.069 119.800 0.028 0.000 2.462 193 Q HA 0.057 4.417 4.340 0.033 0.000 0.285 193 Q C -1.702 174.300 176.000 0.003 0.000 1.035 193 Q CA -1.276 54.539 55.803 0.020 0.000 0.799 193 Q CB 2.309 31.051 28.738 0.006 0.000 1.452 193 Q HN -0.679 7.605 8.270 0.023 0.000 0.404 194 I N 1.308 121.864 120.570 -0.023 0.000 2.556 194 I HA -0.107 3.992 4.170 -0.118 0.000 0.284 194 I C -1.101 174.970 176.117 -0.077 0.000 1.114 194 I CA 0.977 62.221 61.300 -0.094 0.000 1.418 194 I CB 0.147 38.054 38.000 -0.154 0.000 1.394 194 I HN 0.331 8.533 8.210 -0.013 0.000 0.552 195 D N 6.573 126.924 120.400 -0.082 0.000 2.596 195 D HA 0.005 4.610 4.640 -0.059 0.000 0.262 195 D C -0.575 175.686 176.300 -0.066 0.000 1.210 195 D CA -1.561 52.403 54.000 -0.061 0.000 0.873 195 D CB 2.023 42.801 40.800 -0.037 0.000 1.408 195 D HN -0.404 7.910 8.370 -0.093 0.000 0.441 196 E N -0.715 119.456 120.200 -0.049 0.000 2.106 196 E HA -0.018 4.298 4.350 -0.057 0.000 0.192 196 E C -0.018 176.560 176.600 -0.036 0.000 0.984 196 E CA 4.782 61.155 56.400 -0.045 0.000 0.806 196 E CB -1.637 28.043 29.700 -0.033 0.000 0.750 196 E HN 0.476 8.811 8.360 -0.041 0.000 0.458 197 P HA -0.216 4.196 4.420 -0.013 0.000 0.215 197 P C 1.457 178.747 177.300 -0.017 0.000 1.153 197 P CA 2.639 65.729 63.100 -0.017 0.000 0.853 197 P CB -0.336 31.357 31.700 -0.013 0.000 0.788 198 L N -1.358 119.850 121.223 -0.025 0.000 1.989 198 L HA -0.321 4.017 4.340 -0.004 0.000 0.211 198 L C 1.416 178.269 176.870 -0.028 0.000 1.071 198 L CA 3.634 58.461 54.840 -0.022 0.000 0.749 198 L CB -0.256 41.783 42.059 -0.033 0.000 0.890 198 L HN -0.472 8.013 8.230 -0.031 -0.273 0.431 199 M N -3.425 116.135 119.600 -0.066 0.000 2.254 199 M HA -0.184 4.250 4.480 -0.076 0.000 0.265 199 M C 2.598 178.887 176.300 -0.019 0.000 1.066 199 M CA 1.429 56.684 55.300 -0.075 0.000 1.123 199 M CB -1.501 31.015 32.600 -0.139 0.000 1.388 199 M HN -0.349 7.895 8.290 -0.078 0.000 0.425 200 G N -0.881 107.911 108.800 -0.014 0.000 2.402 200 G HA2 -0.352 3.612 3.960 0.006 0.000 0.216 200 G HA3 -0.352 3.697 3.960 -0.000 -0.089 0.216 200 G C 0.777 175.690 174.900 0.022 0.000 1.162 200 G CA 2.032 47.135 45.100 0.004 0.000 0.777 200 G HN 0.338 8.614 8.290 -0.023 0.000 0.539 201 E N 2.355 122.567 120.200 0.020 0.000 2.106 201 E HA -0.231 4.138 4.350 0.031 0.000 0.192 201 E C 1.831 178.466 176.600 0.059 0.000 0.984 201 E CA 2.500 58.918 56.400 0.031 0.000 0.806 201 E CB 0.073 29.784 29.700 0.018 0.000 0.750 201 E HN -0.480 7.886 8.360 0.010 0.000 0.458 202 L N -0.268 120.998 121.223 0.073 0.000 2.072 202 L HA -0.247 4.168 4.340 0.126 0.000 0.205 202 L C 1.560 178.542 176.870 0.187 0.000 1.079 202 L CA 2.882 57.803 54.840 0.135 0.000 0.752 202 L CB -0.569 41.579 42.059 0.148 0.000 0.906 202 L HN -0.212 7.967 8.230 0.055 0.084 0.436 203 A N -1.136 121.755 122.820 0.119 0.000 1.902 203 A HA -0.361 4.028 4.320 0.114 0.000 0.217 203 A C 1.711 179.354 177.584 0.099 0.000 1.181 203 A CA 3.330 55.427 52.037 0.100 0.000 0.623 203 A CB -0.821 18.211 19.000 0.054 0.000 0.818 203 A HN 0.220 8.421 8.150 0.085 0.000 0.443 204 R N -0.799 119.753 120.500 0.086 0.000 2.075 204 R HA -0.226 4.152 4.340 0.064 0.000 0.232 204 R C 2.091 178.459 176.300 0.113 0.000 1.126 204 R CA 1.844 57.990 56.100 0.077 0.000 0.963 204 R CB -0.531 29.801 30.300 0.054 0.000 0.858 204 R HN -0.469 7.846 8.270 0.075 0.000 0.435 205 L N -0.743 120.571 121.223 0.153 0.000 2.042 205 L HA -0.371 4.069 4.340 0.166 0.000 0.210 205 L C 1.272 178.367 176.870 0.375 0.000 1.076 205 L CA 3.543 58.518 54.840 0.224 0.000 0.749 205 L CB -0.292 41.866 42.059 0.165 0.000 0.893 205 L HN -0.051 8.262 8.230 0.138 0.000 0.432 206 K N -1.124 119.494 120.400 0.364 0.000 2.057 206 K HA -0.436 3.849 4.320 -0.058 0.000 0.207 206 K C 2.148 178.765 176.600 0.028 0.000 1.049 206 K CA 3.726 60.075 56.287 0.104 0.000 0.931 206 K CB -0.314 32.195 32.500 0.015 0.000 0.714 206 K HN -0.173 8.280 8.250 0.345 0.004 0.440 207 E N -1.581 118.654 120.200 0.058 0.000 2.085 207 E HA -0.308 4.050 4.350 0.012 0.000 0.194 207 E C 2.145 178.769 176.600 0.041 0.000 0.994 207 E CA 2.624 59.044 56.400 0.033 0.000 0.801 207 E CB -0.071 29.650 29.700 0.036 0.000 0.743 207 E HN -0.521 7.886 8.360 0.078 0.000 0.453 208 V N -2.284 117.673 119.914 0.072 0.000 2.407 208 V HA -0.231 3.919 4.120 0.051 0.000 0.245 208 V C 1.860 178.002 176.094 0.079 0.000 1.041 208 V CA 3.018 65.359 62.300 0.070 0.000 1.040 208 V CB 0.357 32.225 31.823 0.075 0.000 0.671 208 V HN -0.499 7.737 8.190 0.096 0.011 0.455 209 L N -3.976 117.324 121.223 0.128 0.000 2.418 209 L HA -0.070 4.339 4.340 0.116 0.000 0.218 209 L C 0.299 177.202 176.870 0.054 0.000 1.125 209 L CA 0.336 55.260 54.840 0.140 0.000 0.835 209 L CB 0.199 42.449 42.059 0.320 0.000 0.953 209 L HN 0.082 8.415 8.230 0.172 0.000 0.454 210 G N -1.043 107.746 108.800 -0.017 0.000 2.371 210 G HA2 -0.251 3.719 3.960 -0.085 0.000 0.299 210 G HA3 -0.251 3.693 3.960 -0.027 0.000 0.299 210 G C -2.008 172.835 174.900 -0.096 0.000 1.014 210 G CA -0.270 44.793 45.100 -0.062 0.000 1.097 210 G HN -0.421 7.861 8.290 -0.014 0.000 0.512 211 P HA -0.073 4.460 4.420 -0.028 -0.130 0.267 211 P C -1.373 175.878 177.300 -0.082 0.000 1.200 211 P CA -0.112 62.880 63.100 -0.180 0.000 0.772 211 P CB 0.643 32.007 31.700 -0.560 0.000 0.855 212 D N 0.168 120.604 120.400 0.061 0.000 2.289 212 D HA -0.028 4.621 4.640 0.015 0.000 0.207 212 D C 0.024 176.302 176.300 -0.037 0.000 0.966 212 D CA 1.769 55.804 54.000 0.058 0.000 0.868 212 D CB 0.945 41.856 40.800 0.186 0.000 0.943 212 D HN 0.305 8.774 8.370 0.165 0.000 0.514 213 E N -3.219 116.914 120.200 -0.112 0.000 2.340 213 E HA 0.339 4.551 4.350 -0.230 0.000 0.273 213 E C -2.195 174.313 176.600 -0.154 0.000 0.891 213 E CA -1.963 54.247 56.400 -0.317 0.000 0.757 213 E CB 4.166 33.289 29.700 -0.961 0.000 1.231 213 E HN -0.815 7.562 8.360 0.028 0.000 0.439 214 V N 2.506 122.357 119.914 -0.106 0.000 2.419 214 V HA 0.288 4.608 4.120 0.087 -0.148 0.287 214 V C -1.560 174.538 176.094 0.006 0.000 1.017 214 V CA -0.929 61.373 62.300 0.004 0.000 0.844 214 V CB 0.959 32.781 31.823 -0.003 0.000 1.011 214 V HN 0.547 8.671 8.190 -0.111 0.000 0.429 215 L N 7.786 129.037 121.223 0.045 0.000 2.257 215 L HA 0.456 5.007 4.340 0.017 -0.201 0.290 215 L C -1.469 175.394 176.870 -0.010 0.000 1.044 215 L CA -1.298 53.562 54.840 0.034 0.000 0.810 215 L CB 0.949 43.064 42.059 0.093 0.000 1.193 215 L HN 0.821 9.112 8.230 0.101 0.000 0.425 216 L N 6.534 127.712 121.223 -0.074 0.000 2.265 216 L HA 0.541 4.930 4.340 -0.243 -0.195 0.288 216 L C -1.671 175.115 176.870 -0.139 0.000 1.058 216 L CA -1.465 53.266 54.840 -0.182 0.000 0.809 216 L CB 1.679 43.596 42.059 -0.236 0.000 1.179 216 L HN 0.310 8.500 8.230 -0.067 0.000 0.429 217 V N 7.698 127.522 119.914 -0.149 0.000 2.407 217 V HA 0.368 4.641 4.120 -0.068 -0.194 0.278 217 V C -1.197 174.829 176.094 -0.114 0.000 1.037 217 V CA -0.523 61.718 62.300 -0.097 0.000 0.900 217 V CB 0.583 32.367 31.823 -0.065 0.000 0.983 217 V HN 0.388 8.466 8.190 -0.187 0.000 0.459 218 L N 6.268 127.441 121.223 -0.083 0.000 2.410 218 L HA 0.337 4.636 4.340 -0.068 0.000 0.270 218 L C -1.794 175.048 176.870 -0.046 0.000 0.983 218 L CA -1.486 53.312 54.840 -0.069 0.000 0.822 218 L CB 3.706 45.719 42.059 -0.076 0.000 1.285 218 L HN 0.388 8.574 8.230 -0.072 0.000 0.409 219 D N 2.698 123.079 120.400 -0.032 0.000 2.338 219 D HA 0.093 4.724 4.640 -0.015 0.000 0.255 219 D C 0.664 176.950 176.300 -0.023 0.000 1.237 219 D CA -0.530 53.459 54.000 -0.019 0.000 0.883 219 D CB 0.460 41.254 40.800 -0.010 0.000 1.087 219 D HN 0.351 8.704 8.370 -0.029 0.000 0.485 220 A N 7.895 130.705 122.820 -0.018 0.000 2.024 220 A HA -0.324 3.967 4.320 -0.048 0.000 0.220 220 A C 1.962 179.527 177.584 -0.031 0.000 1.164 220 A CA 2.939 54.960 52.037 -0.026 0.000 0.643 220 A CB 0.010 19.018 19.000 0.014 0.000 0.806 220 A HN 0.616 8.761 8.150 -0.008 0.000 0.451 221 M N -4.458 115.136 119.600 -0.010 0.000 2.539 221 M HA -0.298 4.174 4.480 -0.013 0.000 0.261 221 M C 1.484 177.769 176.300 -0.025 0.000 1.069 221 M CA 2.410 57.703 55.300 -0.012 0.000 1.081 221 M CB -0.202 32.401 32.600 0.004 0.000 1.412 221 M HN -0.366 8.137 8.290 0.000 -0.213 0.482 222 T N -5.656 108.881 114.554 -0.027 0.000 3.148 222 T HA -0.079 4.258 4.350 -0.023 0.000 0.253 222 T C 0.883 175.558 174.700 -0.042 0.000 1.134 222 T CA 0.281 62.365 62.100 -0.027 0.000 1.051 222 T CB 0.791 69.649 68.868 -0.017 0.000 0.959 222 T HN -0.449 7.735 8.240 -0.026 0.040 0.525 223 G N 1.219 109.981 108.800 -0.063 0.000 2.547 223 G HA2 -0.549 3.345 3.960 -0.111 0.000 0.271 223 G HA3 -0.549 3.519 3.960 -0.078 -0.154 0.271 223 G C 0.434 175.289 174.900 -0.075 0.000 1.209 223 G CA 0.351 45.401 45.100 -0.084 0.000 0.959 223 G HN -0.502 7.708 8.290 -0.067 0.040 0.563 224 Q N 2.468 122.226 119.800 -0.071 0.000 2.197 224 Q HA -0.459 3.843 4.340 -0.064 0.000 0.207 224 Q C 2.103 178.081 176.000 -0.037 0.000 0.984 224 Q CA 3.270 59.038 55.803 -0.057 0.000 0.869 224 Q CB 0.005 28.710 28.738 -0.055 0.000 0.906 224 Q HN -0.049 8.501 8.270 -0.075 -0.325 0.426 225 E N -0.296 119.886 120.200 -0.030 0.000 2.160 225 E HA -0.353 3.991 4.350 -0.010 0.000 0.195 225 E C 1.582 178.179 176.600 -0.005 0.000 0.991 225 E CA 2.713 59.105 56.400 -0.013 0.000 0.810 225 E CB -0.202 29.492 29.700 -0.010 0.000 0.742 225 E HN -0.549 7.774 8.360 -0.034 0.017 0.466 226 A N -1.506 121.303 122.820 -0.018 0.000 1.940 226 A HA -0.250 4.069 4.320 -0.000 0.000 0.219 226 A C 2.012 179.592 177.584 -0.008 0.000 1.176 226 A CA 3.136 55.164 52.037 -0.015 0.000 0.631 226 A CB -0.481 18.495 19.000 -0.039 0.000 0.814 226 A HN -0.298 7.727 8.150 -0.030 0.107 0.446 227 L N -4.533 116.679 121.223 -0.018 0.000 2.240 227 L HA -0.251 4.083 4.340 -0.011 0.000 0.211 227 L C 2.034 178.909 176.870 0.010 0.000 1.106 227 L CA 2.333 57.166 54.840 -0.012 0.000 0.793 227 L CB -0.423 41.621 42.059 -0.025 0.000 0.927 227 L HN -0.388 7.714 8.230 -0.027 0.112 0.446 228 S N 0.891 116.597 115.700 0.011 0.000 2.368 228 S HA -0.293 4.187 4.470 0.017 0.000 0.224 228 S C 1.696 176.325 174.600 0.048 0.000 1.029 228 S CA 4.395 62.607 58.200 0.020 0.000 0.988 228 S CB -0.492 62.714 63.200 0.009 0.000 0.838 228 S HN -0.838 7.473 8.310 0.003 0.000 0.462 229 V N 1.760 121.716 119.914 0.070 0.000 2.287 229 V HA -0.567 3.643 4.120 0.150 0.000 0.248 229 V C 1.195 177.424 176.094 0.226 0.000 1.053 229 V CA 4.767 67.161 62.300 0.156 0.000 1.027 229 V CB -0.321 31.597 31.823 0.159 0.000 0.646 229 V HN -0.181 8.041 8.190 0.054 0.000 0.447 230 A N -1.611 121.283 122.820 0.123 0.000 1.902 230 A HA -0.337 4.062 4.320 0.132 0.000 0.217 230 A C 1.969 179.620 177.584 0.112 0.000 1.181 230 A CA 3.309 55.409 52.037 0.104 0.000 0.623 230 A CB -0.854 18.157 19.000 0.020 0.000 0.818 230 A HN -0.101 8.017 8.150 0.074 0.077 0.443 231 R N -2.160 118.383 120.500 0.072 0.000 2.092 231 R HA -0.386 3.982 4.340 0.046 0.000 0.231 231 R C 2.149 178.481 176.300 0.054 0.000 1.119 231 R CA 3.467 59.597 56.100 0.049 0.000 0.970 231 R CB -0.024 30.292 30.300 0.027 0.000 0.864 231 R HN -0.415 7.890 8.270 0.059 0.000 0.440 232 A N 0.126 122.978 122.820 0.053 0.000 1.873 232 A HA -0.216 4.090 4.320 -0.023 0.000 0.215 232 A C 1.836 179.406 177.584 -0.022 0.000 1.186 232 A CA 2.981 55.012 52.037 -0.010 0.000 0.616 232 A CB -0.545 18.420 19.000 -0.058 0.000 0.823 232 A HN -0.349 7.840 8.150 0.066 0.000 0.442 233 F N -1.688 118.264 119.950 0.004 0.000 2.126 233 F HA -0.311 4.227 4.527 0.018 0.000 0.299 233 F C 2.482 178.288 175.800 0.009 0.000 1.096 233 F CA 4.012 62.020 58.000 0.012 0.000 1.255 233 F CB -0.101 38.909 39.000 0.016 0.000 0.997 233 F HN -0.062 8.418 8.300 0.301 0.000 0.479 234 D N -1.279 119.225 120.400 0.174 0.000 2.117 234 D HA -0.268 4.430 4.640 0.097 0.000 0.197 234 D C 2.683 179.014 176.300 0.053 0.000 0.987 234 D CA 3.381 57.436 54.000 0.092 0.000 0.829 234 D CB -0.099 40.734 40.800 0.055 0.000 0.961 234 D HN -0.122 8.351 8.370 0.172 0.000 0.460 235 E N -1.101 119.120 120.200 0.035 0.000 2.072 235 E HA -0.255 4.102 4.350 0.011 0.000 0.191 235 E C 2.062 178.665 176.600 0.005 0.000 0.985 235 E CA 2.325 58.732 56.400 0.012 0.000 0.801 235 E CB 0.240 29.941 29.700 0.000 0.000 0.750 235 E HN -0.447 7.935 8.360 0.038 0.000 0.452 236 K N -4.855 115.542 120.400 -0.006 0.000 2.356 236 K HA 0.018 4.329 4.320 -0.016 0.000 0.195 236 K C 0.796 177.402 176.600 0.010 0.000 1.037 236 K CA 0.714 56.990 56.287 -0.020 0.000 1.014 236 K CB 0.891 33.346 32.500 -0.075 0.000 0.815 236 K HN -0.352 7.892 8.250 -0.009 0.000 0.507 237 V N -6.107 113.838 119.914 0.051 0.000 3.102 237 V HA 0.154 4.321 4.120 0.078 0.000 0.225 237 V C -1.158 174.982 176.094 0.076 0.000 1.301 237 V CA 0.343 62.700 62.300 0.095 0.000 1.308 237 V CB 2.705 34.642 31.823 0.191 0.000 1.129 237 V HN -0.296 7.932 8.190 0.063 0.000 0.502 238 G N -1.016 107.834 108.800 0.083 0.000 3.434 238 G HA2 -0.288 3.989 3.960 0.041 0.000 0.686 238 G HA3 -0.288 3.686 3.960 0.023 0.000 0.686 238 G C -1.710 173.216 174.900 0.044 0.000 1.099 238 G CA -0.372 44.756 45.100 0.046 0.000 0.931 238 G HN -0.387 7.968 8.290 0.109 0.000 0.520 239 V N 4.762 124.696 119.914 0.034 0.000 2.769 239 V HA 0.214 4.344 4.120 0.016 0.000 0.312 239 V C -0.387 175.694 176.094 -0.023 0.000 1.058 239 V CA -1.855 60.452 62.300 0.012 0.000 0.952 239 V CB 3.072 34.904 31.823 0.015 0.000 1.019 239 V HN 0.338 8.872 8.190 0.030 -0.326 0.445 240 T N -0.428 114.103 114.554 -0.038 0.000 2.971 240 T HA 0.309 4.632 4.350 -0.045 0.000 0.252 240 T C 0.184 174.838 174.700 -0.076 0.000 1.022 240 T CA -0.508 61.565 62.100 -0.044 0.000 0.980 240 T CB 1.545 70.390 68.868 -0.037 0.000 1.044 240 T HN 0.732 8.950 8.240 -0.036 0.000 0.501 241 G N 0.056 108.797 108.800 -0.097 0.000 2.576 241 G HA2 0.508 4.338 3.960 -0.371 0.000 0.290 241 G HA3 0.508 4.277 3.960 -0.319 0.000 0.290 241 G C -3.387 171.427 174.900 -0.144 0.000 1.442 241 G CA 0.472 45.422 45.100 -0.250 0.000 0.792 241 G HN -0.824 7.427 8.290 -0.065 0.000 0.491 242 L N -2.027 119.077 121.223 -0.199 0.000 2.333 242 L HA 0.935 5.598 4.340 -0.095 -0.379 0.269 242 L C -1.148 175.694 176.870 -0.047 0.000 1.010 242 L CA -1.746 53.020 54.840 -0.124 0.000 0.818 242 L CB 3.693 45.650 42.059 -0.169 0.000 1.306 242 L HN 0.464 8.500 8.230 -0.323 0.000 0.430 243 V N 0.240 120.142 119.914 -0.021 0.000 2.483 243 V HA 0.583 4.934 4.120 0.054 -0.199 0.297 243 V C -1.371 174.695 176.094 -0.046 0.000 1.027 243 V CA -1.618 60.698 62.300 0.026 0.000 0.855 243 V CB 2.181 34.054 31.823 0.083 0.000 0.995 243 V HN 0.477 8.641 8.190 -0.043 0.000 0.424 244 L N 7.518 128.694 121.223 -0.078 0.000 2.272 244 L HA 0.648 5.124 4.340 -0.074 -0.180 0.289 244 L C 0.093 176.947 176.870 -0.027 0.000 1.032 244 L CA -1.225 53.567 54.840 -0.080 0.000 0.810 244 L CB 0.836 42.810 42.059 -0.140 0.000 1.205 244 L HN 0.134 8.307 8.230 -0.095 0.000 0.422 245 T N 0.264 114.808 114.554 -0.016 0.000 2.936 245 T HA 0.387 4.744 4.350 0.011 0.000 0.282 245 T C -0.117 174.593 174.700 0.016 0.000 1.003 245 T CA -2.401 59.700 62.100 0.003 0.000 1.005 245 T CB 2.398 71.265 68.868 -0.003 0.000 1.097 245 T HN 0.508 8.734 8.240 -0.024 0.000 0.532 246 K N -1.128 119.288 120.400 0.025 0.000 3.069 246 K HA -0.415 3.925 4.320 0.033 0.000 0.267 246 K C 1.300 177.936 176.600 0.060 0.000 1.082 246 K CA 1.784 58.092 56.287 0.034 0.000 0.782 246 K CB -1.721 30.794 32.500 0.024 0.000 1.230 246 K HN 0.538 8.802 8.250 0.023 0.000 0.488 247 L N -3.009 118.259 121.223 0.075 0.000 2.191 247 L HA -0.301 4.150 4.340 0.185 0.000 0.212 247 L C 1.676 178.614 176.870 0.114 0.000 1.103 247 L CA 2.844 57.763 54.840 0.132 0.000 0.769 247 L CB -0.229 41.906 42.059 0.126 0.000 0.908 247 L HN -0.631 7.616 8.230 0.062 0.021 0.438 248 D N -2.725 117.714 120.400 0.064 0.000 2.312 248 D HA -0.122 4.537 4.640 0.031 0.000 0.211 248 D C 1.508 177.842 176.300 0.057 0.000 0.964 248 D CA 2.678 56.705 54.000 0.045 0.000 0.877 248 D CB -0.320 40.497 40.800 0.029 0.000 0.924 248 D HN 0.114 8.501 8.370 0.056 0.016 0.515 249 G N -2.720 106.118 108.800 0.065 0.000 2.986 249 G HA2 -0.011 3.979 3.960 0.050 0.000 0.213 249 G HA3 -0.011 3.976 3.960 0.046 0.000 0.213 249 G C -1.263 173.681 174.900 0.075 0.000 1.156 249 G CA -0.352 44.783 45.100 0.057 0.000 0.763 249 G HN -0.567 7.628 8.290 0.065 0.134 0.547 250 D N 0.973 121.448 120.400 0.124 0.000 2.347 250 D HA 0.057 4.744 4.640 0.079 0.000 0.235 250 D C -0.371 176.071 176.300 0.237 0.000 1.149 250 D CA -1.105 52.982 54.000 0.144 0.000 0.850 250 D CB 0.618 41.511 40.800 0.155 0.000 1.061 250 D HN -0.817 7.470 8.370 0.141 0.168 0.487 251 A N 6.157 129.054 122.820 0.129 0.000 2.208 251 A HA -0.005 4.477 4.320 0.175 -0.058 0.209 251 A C 0.451 178.104 177.584 0.115 0.000 1.161 251 A CA 1.677 53.794 52.037 0.134 0.000 0.782 251 A CB 0.280 19.320 19.000 0.066 0.000 0.816 251 A HN 0.638 8.833 8.150 0.076 0.000 0.477 252 R N -4.679 115.814 120.500 -0.011 0.000 2.086 252 R HA 0.139 4.417 4.340 -0.104 0.000 0.194 252 R C 0.631 176.608 176.300 -0.537 0.000 1.312 252 R CA 0.517 56.511 56.100 -0.176 0.000 1.145 252 R CB 2.156 32.364 30.300 -0.154 0.000 1.050 252 R HN -0.014 8.513 8.270 -0.019 -0.268 0.479 253 G N -3.607 104.622 108.800 -0.952 0.000 2.179 253 G HA2 -0.192 2.434 3.960 -2.376 0.000 0.220 253 G HA3 -0.192 2.340 3.960 -2.381 0.000 0.220 253 G C 0.570 175.004 174.900 -0.777 0.000 0.990 253 G CA 0.037 44.077 45.100 -1.767 0.000 0.646 253 G HN -0.401 7.876 8.290 -0.660 -0.383 0.517 254 G N 0.489 109.018 108.800 -0.451 0.000 2.422 254 G HA2 -0.416 3.378 3.960 -0.277 0.000 0.218 254 G HA3 -0.416 3.545 3.960 -0.231 -0.140 0.218 254 G C 0.317 175.083 174.900 -0.224 0.000 1.146 254 G CA 1.992 46.921 45.100 -0.286 0.000 0.769 254 G HN -0.334 7.714 8.290 -0.404 0.000 0.547 255 A N 0.473 123.166 122.820 -0.212 0.000 1.877 255 A HA -0.343 3.903 4.320 -0.123 0.000 0.216 255 A C 1.195 178.696 177.584 -0.138 0.000 1.186 255 A CA 3.005 54.953 52.037 -0.148 0.000 0.620 255 A CB -0.808 18.118 19.000 -0.123 0.000 0.822 255 A HN -0.075 7.936 8.150 -0.233 0.000 0.443 256 A N -2.878 119.850 122.820 -0.153 0.000 1.908 256 A HA -0.359 3.886 4.320 -0.126 0.000 0.218 256 A C 1.858 179.421 177.584 -0.036 0.000 1.181 256 A CA 2.518 54.505 52.037 -0.084 0.000 0.627 256 A CB -0.671 18.370 19.000 0.068 0.000 0.818 256 A HN -0.028 8.002 8.150 -0.200 0.000 0.445 257 L N -6.104 115.078 121.223 -0.068 0.000 2.291 257 L HA -0.174 4.195 4.340 0.049 0.000 0.214 257 L C 1.245 178.097 176.870 -0.031 0.000 1.120 257 L CA 1.858 56.683 54.840 -0.025 0.000 0.799 257 L CB 0.156 42.160 42.059 -0.092 0.000 0.925 257 L HN -0.307 7.833 8.230 -0.150 0.000 0.446 258 S N -2.901 112.757 115.700 -0.070 0.000 2.511 258 S HA -0.015 4.414 4.470 -0.068 0.000 0.214 258 S C 0.866 175.455 174.600 -0.018 0.000 0.997 258 S CA 1.362 59.523 58.200 -0.065 0.000 0.908 258 S CB 0.470 63.610 63.200 -0.100 0.000 0.803 258 S HN -0.637 7.482 8.310 -0.093 0.136 0.504 259 A N 3.031 125.831 122.820 -0.033 0.000 1.877 259 A HA -0.309 3.989 4.320 -0.037 0.000 0.216 259 A C 1.291 178.871 177.584 -0.006 0.000 1.186 259 A CA 3.466 55.480 52.037 -0.038 0.000 0.620 259 A CB -0.850 18.098 19.000 -0.087 0.000 0.822 259 A HN -0.352 7.770 8.150 -0.047 0.000 0.443 260 R N -1.142 119.367 120.500 0.016 0.000 2.083 260 R HA -0.401 3.932 4.340 -0.011 0.000 0.237 260 R C 1.956 178.298 176.300 0.069 0.000 1.137 260 R CA 3.424 59.539 56.100 0.025 0.000 0.951 260 R CB -0.250 30.076 30.300 0.043 0.000 0.851 260 R HN -0.104 8.178 8.270 0.020 0.000 0.434 261 H N -1.072 117.991 119.070 -0.011 0.000 2.293 261 H HA -0.193 4.360 4.556 -0.004 0.000 0.300 261 H C 1.600 176.920 175.328 -0.014 0.000 1.082 261 H CA 2.830 58.875 56.048 -0.006 0.000 1.308 261 H CB -0.085 29.682 29.762 0.007 0.000 1.375 261 H HN -0.253 8.156 8.280 0.215 0.000 0.495 262 V N -3.530 116.510 119.914 0.210 0.000 2.323 262 V HA -0.341 3.888 4.120 0.183 0.000 0.244 262 V C 1.260 177.385 176.094 0.051 0.000 1.041 262 V CA 3.513 65.891 62.300 0.129 0.000 1.025 262 V CB 0.558 32.417 31.823 0.060 0.000 0.656 262 V HN -0.374 7.915 8.190 0.166 0.000 0.451 263 T N -6.159 108.408 114.554 0.021 0.000 3.023 263 T HA 0.026 4.377 4.350 0.000 0.000 0.249 263 T C 1.354 176.041 174.700 -0.022 0.000 1.050 263 T CA 0.316 62.413 62.100 -0.006 0.000 1.088 263 T CB 1.962 70.817 68.868 -0.023 0.000 0.946 263 T HN -0.127 8.126 8.240 0.022 0.000 0.480 264 G N 2.770 111.554 108.800 -0.026 0.000 2.155 264 G HA2 -0.357 3.669 3.960 -0.041 0.000 0.257 264 G HA3 -0.357 3.578 3.960 -0.040 0.000 0.257 264 G C -0.450 174.411 174.900 -0.066 0.000 0.983 264 G CA 0.843 45.918 45.100 -0.042 0.000 0.676 264 G HN -0.303 7.979 8.290 -0.014 0.000 0.528 265 K N 0.508 120.856 120.400 -0.086 0.000 2.164 265 K HA 0.557 4.790 4.320 -0.144 0.000 0.258 265 K C -2.054 174.423 176.600 -0.205 0.000 0.951 265 K CA -3.716 52.485 56.287 -0.143 0.000 0.844 265 K CB 0.167 32.584 32.500 -0.139 0.000 1.099 265 K HN -0.612 7.555 8.250 -0.076 0.037 0.435 266 P HA 0.105 4.375 4.420 -0.250 0.000 0.275 266 P C -1.208 175.803 177.300 -0.482 0.000 1.228 266 P CA -0.411 62.442 63.100 -0.412 0.000 0.786 266 P CB 0.761 32.085 31.700 -0.627 0.000 0.927 267 I N 0.140 120.518 120.570 -0.321 0.000 2.291 267 I HA -0.037 4.086 4.170 -0.322 -0.146 0.292 267 I C -0.158 175.851 176.117 -0.180 0.000 1.064 267 I CA 0.127 61.235 61.300 -0.321 0.000 1.269 267 I CB -0.942 36.727 38.000 -0.551 0.000 1.418 267 I HN 0.094 8.180 8.210 -0.207 0.000 0.485 268 Y N 3.756 123.963 120.300 -0.156 0.000 2.365 268 Y HA -0.064 4.447 4.550 -0.327 -0.158 0.293 268 Y C -0.060 175.438 175.900 -0.670 0.000 1.119 268 Y CA 1.032 58.913 58.100 -0.364 0.000 1.203 268 Y CB 1.749 39.987 38.460 -0.369 0.000 1.026 268 Y HN 0.117 8.319 8.280 -0.130 0.000 0.549 269 F N -5.360 114.636 119.950 0.076 0.000 2.599 269 F HA 0.566 5.349 4.527 -0.037 -0.278 0.311 269 F C -2.130 173.645 175.800 -0.043 0.000 1.076 269 F CA -1.804 56.186 58.000 -0.017 0.000 0.937 269 F CB 5.092 44.051 39.000 -0.067 0.000 1.282 269 F HN -0.822 7.572 8.300 0.157 0.000 0.460 270 A N -0.328 122.606 122.820 0.190 0.000 2.343 270 A HA 0.945 5.471 4.320 0.047 -0.178 0.316 270 A C -1.248 176.392 177.584 0.092 0.000 1.104 270 A CA -2.334 49.770 52.037 0.111 0.000 0.768 270 A CB 3.181 22.291 19.000 0.184 0.000 1.213 270 A HN 0.542 8.814 8.150 0.203 0.000 0.456 279 L N -0.438 120.796 121.223 0.018 0.000 2.549 279 L HA 0.588 5.113 4.340 0.016 -0.175 0.259 279 L C -2.521 174.347 176.870 -0.004 0.000 0.934 279 L CA 0.369 55.203 54.840 -0.010 0.000 0.865 279 L CB 3.134 45.136 42.059 -0.094 0.000 1.352 279 L HN -0.520 7.730 8.230 0.033 0.000 0.410 280 E N 5.376 125.601 120.200 0.042 0.000 2.383 280 E HA 0.546 4.895 4.350 -0.002 0.000 0.275 280 E C -3.144 173.457 176.600 0.003 0.000 0.918 280 E CA -3.487 52.928 56.400 0.025 0.000 0.764 280 E CB 3.966 33.708 29.700 0.069 0.000 1.252 280 E HN 0.399 8.804 8.360 0.075 0.000 0.449 281 P HA -0.025 4.265 4.420 -0.725 -0.305 0.266 281 P C -1.440 175.410 177.300 -0.749 0.000 1.193 281 P CA 0.561 63.316 63.100 -0.575 0.000 0.770 281 P CB 0.456 31.819 31.700 -0.561 0.000 0.836 282 F N 3.371 122.925 119.950 -0.660 0.000 2.410 282 F HA 0.093 4.389 4.527 -0.385 0.000 0.348 282 F C -1.823 173.703 175.800 -0.457 0.000 1.106 282 F CA 0.021 57.750 58.000 -0.452 0.000 1.163 282 F CB 2.424 41.289 39.000 -0.225 0.000 1.129 282 F HN -0.029 7.887 8.300 -0.325 0.189 0.516 283 Y N 5.416 125.174 120.300 -0.903 0.000 2.555 283 Y HA 0.204 4.475 4.550 -0.465 0.000 0.326 283 Y C -1.899 173.493 175.900 -0.846 0.000 0.984 283 Y CA -3.762 53.957 58.100 -0.635 0.000 1.298 283 Y CB 0.227 38.508 38.460 -0.299 0.000 1.094 283 Y HN 0.103 7.783 8.280 -1.001 0.000 0.500 284 P HA -0.304 3.835 4.420 -0.469 0.000 0.216 284 P C 1.075 178.264 177.300 -0.184 0.000 1.150 284 P CA 2.160 65.031 63.100 -0.382 0.000 0.837 284 P CB 0.366 31.988 31.700 -0.130 0.000 0.786 285 E N -3.612 116.518 120.200 -0.117 0.000 2.106 285 E HA -0.356 3.926 4.350 -0.113 0.000 0.192 285 E C 2.345 178.962 176.600 0.027 0.000 0.984 285 E CA 3.471 59.848 56.400 -0.039 0.000 0.806 285 E CB -0.854 28.872 29.700 0.044 0.000 0.750 285 E HN 0.539 8.840 8.360 -0.099 0.000 0.458 286 R N -0.182 120.308 120.500 -0.016 0.000 2.075 286 R HA -0.290 4.067 4.340 0.028 0.000 0.232 286 R C 2.163 178.466 176.300 0.005 0.000 1.126 286 R CA 3.332 59.435 56.100 0.005 0.000 0.963 286 R CB -0.199 30.102 30.300 0.001 0.000 0.858 286 R HN -0.697 7.547 8.270 -0.044 0.000 0.435 287 L N -1.114 120.085 121.223 -0.040 0.000 2.046 287 L HA -0.286 4.028 4.340 -0.043 0.000 0.208 287 L C 1.300 178.177 176.870 0.011 0.000 1.077 287 L CA 2.724 57.551 54.840 -0.022 0.000 0.747 287 L CB -0.556 41.528 42.059 0.042 0.000 0.896 287 L HN -0.535 7.636 8.230 -0.098 0.000 0.432 288 A N -1.965 120.861 122.820 0.010 0.000 1.908 288 A HA -0.343 4.003 4.320 0.043 0.000 0.218 288 A C 2.311 179.988 177.584 0.154 0.000 1.181 288 A CA 3.364 55.406 52.037 0.008 0.000 0.627 288 A CB -0.965 17.869 19.000 -0.278 0.000 0.818 288 A HN 0.012 8.145 8.150 -0.027 0.000 0.445 289 G N -2.713 106.230 108.800 0.239 0.000 2.408 289 G HA2 -0.338 3.805 3.960 0.306 0.000 0.217 289 G HA3 -0.338 3.743 3.960 0.202 0.000 0.217 289 G C 1.377 176.340 174.900 0.105 0.000 1.150 289 G CA 1.538 46.777 45.100 0.231 0.000 0.776 289 G HN -0.295 8.128 8.290 0.221 0.000 0.542 290 R N 1.921 122.451 120.500 0.050 0.000 2.092 290 R HA -0.265 4.078 4.340 0.004 0.000 0.231 290 R C 3.055 179.354 176.300 -0.002 0.000 1.119 290 R CA 3.102 59.201 56.100 -0.001 0.000 0.970 290 R CB -0.143 30.125 30.300 -0.053 0.000 0.864 290 R HN -0.497 7.719 8.270 0.043 0.079 0.440 291 I N 0.474 121.052 120.570 0.013 0.000 2.264 291 I HA -0.357 3.827 4.170 0.024 0.000 0.248 291 I C 1.675 177.837 176.117 0.075 0.000 1.111 291 I CA 3.916 65.245 61.300 0.049 0.000 1.382 291 I CB 0.233 38.298 38.000 0.107 0.000 1.060 291 I HN -0.231 7.990 8.210 0.019 0.000 0.418 292 L N -6.139 115.141 121.223 0.095 0.000 2.592 292 L HA -0.058 4.336 4.340 0.090 0.000 0.227 292 L C 0.028 176.935 176.870 0.061 0.000 1.127 292 L CA -0.277 54.620 54.840 0.096 0.000 0.884 292 L CB -0.450 41.696 42.059 0.145 0.000 1.065 292 L HN -0.733 7.449 8.230 0.109 0.113 0.457 293 G N -1.907 106.919 108.800 0.043 0.000 2.132 293 G HA2 -0.289 3.682 3.960 0.018 0.000 0.228 293 G HA3 -0.289 3.685 3.960 0.025 0.000 0.228 293 G C 0.315 175.225 174.900 0.015 0.000 1.000 293 G CA 0.669 45.783 45.100 0.025 0.000 0.693 293 G HN -0.459 7.697 8.290 0.042 0.159 0.515 294 M N -1.683 117.927 119.600 0.018 0.000 2.382 294 M HA 0.041 4.517 4.480 -0.006 0.000 0.247 294 M C 0.773 177.073 176.300 -0.001 0.000 1.104 294 M CA 0.027 55.327 55.300 0.001 0.000 1.030 294 M CB 0.483 33.077 32.600 -0.010 0.000 1.424 294 M HN -0.108 8.201 8.290 0.031 0.000 0.486 295 G N 0.000 108.803 108.800 0.004 0.000 5.446 295 G HA2 0.000 nan 3.960 nan 0.000 0.244 295 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 295 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 295 G HN 0.000 8.295 8.290 0.009 0.000 0.925