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 1to3_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNNYTIKDIT RASGGFAXLA VDQREAXRLX FAAAGAKTPV ADSVLTDFKV DATA SEQUENCE NAAKILSPYA SAVLLDQQFC YRQAVEQNAV AKSCAXIVAA DDFIPGNGIP DATA SEQUENCE VDNVVLDKKI NAQAVKRDGA KALKLLVLWR SDEDAQQRLN XVKEFNELCH DATA SEQUENCE SNGLLSIIEP VVRPPRCGDK FDREQAIIDA AKELGDSGAD LYKVEXPLYG DATA SEQUENCE KGARSDLLTA SQRLNGHINX PWVILSSGVD EKLFPRAVRV AXEAGASGFL DATA SEQUENCE AGRAVWSSVI GLPDTELXLR DVSAPKLQRL GEIVDEXXGK R 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 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1 L C 0.000 176.889 176.870 0.031 0.000 1.165 1 L CA 0.000 54.850 54.840 0.016 0.000 0.813 1 L CB 0.000 42.061 42.059 0.003 0.000 0.961 2 N N 1.845 120.566 118.700 0.034 0.000 2.380 2 N HA 0.150 4.891 4.740 0.001 0.000 0.255 2 N C -0.841 174.704 175.510 0.059 0.000 1.158 2 N CA -0.267 52.827 53.050 0.074 0.000 0.878 2 N CB -0.159 38.378 38.487 0.084 0.000 1.138 2 N HN 0.659 9.039 8.380 -0.000 0.000 0.509 3 N N 1.193 119.887 118.700 -0.010 0.000 2.497 3 N HA 0.005 4.745 4.740 0.001 0.000 0.271 3 N C -0.581 174.921 175.510 -0.013 0.000 1.142 3 N CA -0.095 52.887 53.050 -0.114 0.000 0.965 3 N CB 0.460 38.885 38.487 -0.103 0.000 1.077 3 N HN 0.133 8.513 8.380 -0.000 0.000 0.462 4 Y N -1.809 118.490 120.300 -0.001 0.000 2.512 4 Y HA 0.728 5.279 4.550 0.001 0.000 0.348 4 Y C -0.485 175.422 175.900 0.011 0.000 0.990 4 Y CA -1.241 56.868 58.100 0.015 0.000 1.033 4 Y CB 1.552 40.033 38.460 0.035 0.000 1.259 4 Y HN 0.552 8.832 8.280 -0.000 0.000 0.461 5 T N 2.963 117.648 114.554 0.218 0.000 2.993 5 T HA 0.317 4.668 4.350 0.001 0.000 0.312 5 T C 0.232 175.027 174.700 0.159 0.000 1.115 5 T CA -0.516 61.673 62.100 0.148 0.000 1.027 5 T CB 1.206 70.101 68.868 0.045 0.000 1.116 5 T HN 0.844 9.084 8.240 -0.000 0.000 0.464 6 I N 4.009 124.682 120.570 0.172 0.000 2.399 6 I HA -0.062 4.109 4.170 0.001 0.000 0.254 6 I C 2.065 178.217 176.117 0.059 0.000 1.146 6 I CA 1.623 63.025 61.300 0.171 0.000 1.412 6 I CB 0.047 38.174 38.000 0.213 0.000 1.076 6 I HN 0.640 8.850 8.210 -0.000 0.000 0.432 7 K N 0.544 120.955 120.400 0.019 0.000 2.211 7 K HA -0.177 4.144 4.320 0.001 0.000 0.204 7 K C 1.537 178.116 176.600 -0.035 0.000 1.047 7 K CA 1.297 57.561 56.287 -0.038 0.000 0.935 7 K CB -0.324 32.162 32.500 -0.023 0.000 0.728 7 K HN 0.393 8.643 8.250 -0.000 0.000 0.452 8 D N -0.098 120.310 120.400 0.013 0.000 2.348 8 D HA -0.046 4.595 4.640 0.001 0.000 0.216 8 D C 1.257 177.570 176.300 0.021 0.000 0.970 8 D CA 0.877 54.890 54.000 0.022 0.000 0.889 8 D CB 0.210 41.042 40.800 0.053 0.000 0.912 8 D HN 0.452 8.822 8.370 -0.000 0.000 0.524 9 I N -2.291 118.291 120.570 0.019 0.000 4.081 9 I HA 0.167 4.338 4.170 0.001 0.000 0.333 9 I C 0.233 176.302 176.117 -0.080 0.000 1.413 9 I CA -0.356 60.967 61.300 0.038 0.000 1.110 9 I CB 0.515 38.608 38.000 0.155 0.000 1.082 9 I HN -0.294 7.916 8.210 -0.000 0.000 0.402 10 T N -1.089 113.324 114.554 -0.234 0.000 2.943 10 T HA 0.566 4.917 4.350 0.001 0.000 0.284 10 T C 0.276 174.852 174.700 -0.207 0.000 1.015 10 T CA -0.668 61.193 62.100 -0.399 0.000 1.042 10 T CB 1.877 70.393 68.868 -0.586 0.000 1.055 10 T HN 0.195 8.435 8.240 -0.000 0.000 0.500 11 R N 0.087 120.473 120.500 -0.190 0.000 2.822 11 R HA 0.497 4.838 4.340 0.001 0.000 0.277 11 R C 1.965 178.206 176.300 -0.100 0.000 1.102 11 R CA -0.074 55.964 56.100 -0.105 0.000 1.207 11 R CB -0.094 30.162 30.300 -0.073 0.000 1.139 11 R HN 0.843 9.113 8.270 -0.000 0.000 0.557 12 A N 0.696 123.479 122.820 -0.061 0.000 1.940 12 A HA -0.212 4.109 4.320 0.001 0.000 0.219 12 A C 2.033 179.583 177.584 -0.057 0.000 1.176 12 A CA 2.197 54.203 52.037 -0.051 0.000 0.631 12 A CB -0.874 18.107 19.000 -0.031 0.000 0.814 12 A HN 0.791 8.941 8.150 -0.000 0.000 0.446 13 S N -1.801 113.865 115.700 -0.056 0.000 2.547 13 S HA 0.296 4.766 4.470 0.001 0.000 0.235 13 S C 1.546 176.100 174.600 -0.077 0.000 0.980 13 S CA 1.221 59.390 58.200 -0.052 0.000 0.941 13 S CB -0.522 62.656 63.200 -0.037 0.000 0.763 13 S HN 2.007 10.317 8.310 -0.000 0.000 0.532 14 G N 0.118 108.845 108.800 -0.122 0.000 2.176 14 G HA2 -0.125 3.836 3.960 0.001 0.000 0.253 14 G HA3 -0.125 3.836 3.960 0.001 0.000 0.253 14 G C 0.384 175.122 174.900 -0.270 0.000 0.979 14 G CA -0.104 44.889 45.100 -0.178 0.000 0.641 14 G HN 1.130 9.420 8.290 -0.000 0.000 0.530 15 G N -0.513 108.163 108.800 -0.207 0.000 2.476 15 G HA2 0.581 4.541 3.960 0.001 0.000 0.286 15 G HA3 0.581 4.541 3.960 0.001 0.000 0.286 15 G C -0.405 174.308 174.900 -0.311 0.000 1.177 15 G CA -0.797 44.196 45.100 -0.179 0.000 0.870 15 G HN 0.274 8.564 8.290 -0.000 0.000 0.528 16 F N 0.893 120.775 119.950 -0.114 0.000 2.411 16 F HA 0.590 5.117 4.527 0.001 0.000 0.355 16 F C 0.794 176.362 175.800 -0.387 0.000 1.117 16 F CA -0.141 57.750 58.000 -0.182 0.000 1.139 16 F CB 1.575 40.481 39.000 -0.156 0.000 1.120 16 F HN 0.610 8.910 8.300 -0.000 0.000 0.493 20 A N 3.631 126.651 122.820 0.334 0.000 2.271 20 A HA 0.659 4.979 4.320 0.001 0.000 0.317 20 A C 0.192 178.052 177.584 0.460 0.000 1.245 20 A CA -0.018 52.213 52.037 0.323 0.000 0.857 20 A CB 1.197 20.359 19.000 0.270 0.000 1.175 20 A HN 1.014 9.164 8.150 -0.000 0.000 0.512 21 V N 0.329 120.426 119.914 0.304 0.000 3.111 21 V HA 0.221 4.341 4.120 0.001 0.000 0.343 21 V C 0.355 176.546 176.094 0.163 0.000 1.417 21 V CA 0.536 62.953 62.300 0.195 0.000 1.142 21 V CB 0.231 32.048 31.823 -0.011 0.000 1.114 21 V HN 0.768 8.958 8.190 -0.000 0.000 0.520 22 D N -0.240 120.288 120.400 0.213 0.000 2.328 22 D HA 0.028 4.668 4.640 0.001 0.000 0.226 22 D C 0.462 176.902 176.300 0.233 0.000 1.066 22 D CA -0.133 53.980 54.000 0.187 0.000 0.861 22 D CB 0.176 41.067 40.800 0.152 0.000 0.912 22 D HN 0.551 8.921 8.370 -0.000 0.000 0.521 23 Q N 0.679 120.640 119.800 0.269 0.000 2.361 23 Q HA 0.191 4.532 4.340 0.001 0.000 0.276 23 Q C 1.207 177.337 176.000 0.217 0.000 1.022 23 Q CA 0.326 56.304 55.803 0.292 0.000 0.898 23 Q CB 1.161 30.094 28.738 0.324 0.000 1.246 23 Q HN 0.155 8.425 8.270 -0.000 0.000 0.410 24 R N 1.635 122.296 120.500 0.268 0.000 1.895 24 R HA 0.213 4.553 4.340 0.001 0.000 0.129 24 R C 1.069 177.433 176.300 0.106 0.000 2.021 24 R CA -0.457 55.786 56.100 0.238 0.000 1.709 24 R CB -0.482 30.101 30.300 0.472 0.000 1.397 24 R HN 0.449 8.719 8.270 -0.000 0.000 0.484 25 E N 1.805 122.132 120.200 0.212 0.000 2.153 25 E HA 0.031 4.381 4.350 0.001 0.000 0.194 25 E C 1.083 177.735 176.600 0.086 0.000 0.988 25 E CA 0.790 57.268 56.400 0.131 0.000 0.811 25 E CB -0.422 29.370 29.700 0.153 0.000 0.746 25 E HN 0.385 8.745 8.360 -0.000 0.000 0.466 32 A N 0.632 123.531 122.820 0.132 0.000 1.883 32 A HA -0.026 4.294 4.320 0.001 0.000 0.217 32 A C 2.209 179.807 177.584 0.023 0.000 1.186 32 A CA 2.467 54.541 52.037 0.062 0.000 0.624 32 A CB -1.252 17.774 19.000 0.043 0.000 0.822 32 A HN 0.436 8.586 8.150 -0.000 0.000 0.444 33 A N -0.645 122.175 122.820 0.001 0.000 2.019 33 A HA 0.256 4.577 4.320 0.001 0.000 0.219 33 A C 2.221 179.782 177.584 -0.038 0.000 1.164 33 A CA 1.725 53.750 52.037 -0.021 0.000 0.644 33 A CB -0.668 18.313 19.000 -0.031 0.000 0.805 33 A HN 1.113 9.263 8.150 -0.000 0.000 0.449 34 A N -1.845 120.939 122.820 -0.061 0.000 2.251 34 A HA 0.426 4.746 4.320 0.001 0.000 0.209 34 A C 1.639 179.202 177.584 -0.036 0.000 1.187 34 A CA 1.115 53.105 52.037 -0.077 0.000 0.823 34 A CB -0.766 18.138 19.000 -0.160 0.000 0.846 34 A HN 1.832 9.982 8.150 -0.000 0.000 0.486 35 G N -1.814 106.981 108.800 -0.008 0.000 2.130 35 G HA2 0.141 4.102 3.960 0.001 0.000 0.216 35 G HA3 0.141 4.102 3.960 0.001 0.000 0.216 35 G C 0.357 175.274 174.900 0.028 0.000 0.999 35 G CA 0.175 45.279 45.100 0.008 0.000 0.686 35 G HN 1.514 9.804 8.290 -0.000 0.000 0.515 36 A N 0.227 123.081 122.820 0.057 0.000 2.445 36 A HA 0.606 4.926 4.320 0.001 0.000 0.242 36 A C 0.930 178.545 177.584 0.053 0.000 1.075 36 A CA 0.685 52.774 52.037 0.086 0.000 0.777 36 A CB 0.219 19.329 19.000 0.184 0.000 1.013 36 A HN 1.380 9.530 8.150 -0.000 0.000 0.493 37 K N 0.856 121.279 120.400 0.037 0.000 2.414 37 K HA 0.356 4.676 4.320 0.001 0.000 0.272 37 K C -0.037 176.572 176.600 0.015 0.000 0.993 37 K CA 0.442 56.742 56.287 0.021 0.000 0.964 37 K CB 0.131 32.640 32.500 0.015 0.000 0.925 37 K HN 0.659 8.909 8.250 -0.000 0.000 0.487 38 T N -0.430 114.131 114.554 0.011 0.000 2.912 38 T HA 0.483 4.834 4.350 0.001 0.000 0.288 38 T C -2.162 172.541 174.700 0.004 0.000 1.030 38 T CA -1.757 60.348 62.100 0.008 0.000 1.020 38 T CB 1.008 69.883 68.868 0.011 0.000 1.056 38 T HN 0.599 8.839 8.240 -0.000 0.000 0.480 39 P HA 0.348 4.768 4.420 -0.000 0.000 0.276 39 P C -0.575 176.718 177.300 -0.012 0.000 1.230 39 P CA -0.556 62.544 63.100 0.000 0.000 0.776 39 P CB 0.478 32.180 31.700 0.004 0.000 0.888 40 V N 2.390 122.291 119.914 -0.022 0.000 2.485 40 V HA 0.235 4.356 4.120 0.001 0.000 0.287 40 V C 1.030 177.078 176.094 -0.077 0.000 1.022 40 V CA -0.356 61.905 62.300 -0.064 0.000 1.067 40 V CB -0.010 31.756 31.823 -0.094 0.000 0.967 40 V HN 0.818 9.008 8.190 -0.000 0.000 0.479 41 A N 3.817 126.588 122.820 -0.082 0.000 2.351 41 A HA 0.290 4.611 4.320 0.001 0.000 0.257 41 A C 1.131 178.673 177.584 -0.070 0.000 1.087 41 A CA -0.444 51.562 52.037 -0.051 0.000 0.798 41 A CB 0.130 19.108 19.000 -0.037 0.000 1.033 41 A HN 0.849 8.999 8.150 -0.000 0.000 0.488 42 D N 0.918 121.329 120.400 0.019 0.000 2.158 42 D HA -0.166 4.475 4.640 0.001 0.000 0.197 42 D C 2.259 178.579 176.300 0.033 0.000 0.995 42 D CA 2.136 56.201 54.000 0.108 0.000 0.846 42 D CB -0.302 40.642 40.800 0.241 0.000 0.941 42 D HN 0.645 9.015 8.370 -0.000 0.000 0.456 43 S N -0.141 115.560 115.700 0.001 0.000 2.423 43 S HA -0.096 4.374 4.470 0.001 0.000 0.231 43 S C 2.185 176.744 174.600 -0.068 0.000 1.014 43 S CA 0.549 58.742 58.200 -0.012 0.000 0.965 43 S CB -0.523 62.671 63.200 -0.010 0.000 0.785 43 S HN 0.114 8.424 8.310 -0.000 0.000 0.495 44 V N 2.208 122.030 119.914 -0.153 0.000 2.427 44 V HA -0.080 4.041 4.120 0.001 0.000 0.248 44 V C 2.423 178.293 176.094 -0.373 0.000 1.051 44 V CA 1.455 63.591 62.300 -0.275 0.000 1.048 44 V CB -0.830 30.739 31.823 -0.424 0.000 0.666 44 V HN 0.489 8.679 8.190 -0.000 0.000 0.456 45 L N 0.441 121.433 121.223 -0.386 0.000 2.072 45 L HA -0.110 4.231 4.340 0.001 0.000 0.205 45 L C 2.834 179.630 176.870 -0.123 0.000 1.079 45 L CA 2.028 56.639 54.840 -0.381 0.000 0.752 45 L CB -1.248 40.425 42.059 -0.644 0.000 0.906 45 L HN 0.544 8.774 8.230 -0.000 0.000 0.436 46 T N -3.195 111.343 114.554 -0.027 0.000 2.904 46 T HA -0.149 4.201 4.350 0.001 0.000 0.267 46 T C 1.508 176.220 174.700 0.021 0.000 1.059 46 T CA 1.160 63.291 62.100 0.050 0.000 1.137 46 T CB -0.216 68.715 68.868 0.106 0.000 0.879 46 T HN 0.162 8.402 8.240 -0.000 0.000 0.467 47 D N 0.342 120.747 120.400 0.009 0.000 2.123 47 D HA -0.035 4.606 4.640 0.001 0.000 0.196 47 D C 1.539 177.863 176.300 0.040 0.000 0.992 47 D CA 1.001 55.013 54.000 0.019 0.000 0.833 47 D CB -0.497 40.315 40.800 0.020 0.000 0.954 47 D HN 0.505 8.875 8.370 -0.000 0.000 0.455 48 F N 1.481 121.390 119.950 -0.067 0.000 2.163 48 F HA -0.039 4.489 4.527 0.001 0.000 0.297 48 F C 2.121 177.856 175.800 -0.109 0.000 1.094 48 F CA 1.085 59.063 58.000 -0.037 0.000 1.290 48 F CB 0.130 39.177 39.000 0.077 0.000 1.017 48 F HN -0.218 8.082 8.300 -0.000 0.000 0.483 49 K N 0.089 120.490 120.400 0.002 0.000 2.026 49 K HA -0.165 4.155 4.320 0.001 0.000 0.208 49 K C 2.120 178.638 176.600 -0.136 0.000 1.048 49 K CA 2.015 58.242 56.287 -0.100 0.000 0.929 49 K CB -0.620 31.878 32.500 -0.003 0.000 0.713 49 K HN 0.381 8.631 8.250 -0.000 0.000 0.439 50 V N -0.348 119.518 119.914 -0.080 0.000 2.548 50 V HA -0.128 3.992 4.120 0.001 0.000 0.249 50 V C 1.623 177.657 176.094 -0.100 0.000 1.055 50 V CA 1.503 63.763 62.300 -0.067 0.000 1.065 50 V CB -0.427 31.375 31.823 -0.035 0.000 0.681 50 V HN 0.190 8.380 8.190 -0.000 0.000 0.462 51 N N 1.651 120.265 118.700 -0.144 0.000 2.120 51 N HA -0.051 4.689 4.740 0.001 0.000 0.188 51 N C 1.994 177.375 175.510 -0.216 0.000 1.024 51 N CA 2.045 54.997 53.050 -0.163 0.000 0.852 51 N CB -0.578 37.803 38.487 -0.176 0.000 1.003 51 N HN 0.644 9.024 8.380 -0.000 0.000 0.424 52 A N 0.928 123.522 122.820 -0.378 0.000 1.902 52 A HA -0.015 4.306 4.320 0.001 0.000 0.217 52 A C 2.368 179.871 177.584 -0.135 0.000 1.181 52 A CA 2.033 53.859 52.037 -0.351 0.000 0.623 52 A CB -0.874 17.766 19.000 -0.600 0.000 0.818 52 A HN 0.327 8.477 8.150 -0.000 0.000 0.443 53 A N 0.767 123.522 122.820 -0.110 0.000 1.877 53 A HA -0.194 4.126 4.320 0.001 0.000 0.216 53 A C 2.152 179.734 177.584 -0.004 0.000 1.186 53 A CA 2.124 54.147 52.037 -0.024 0.000 0.620 53 A CB -0.506 18.485 19.000 -0.014 0.000 0.822 53 A HN 0.723 8.873 8.150 -0.000 0.000 0.443 54 K N -0.457 119.928 120.400 -0.026 0.000 2.103 54 K HA 0.017 4.338 4.320 0.001 0.000 0.204 54 K C 1.730 178.337 176.600 0.010 0.000 1.052 54 K CA 1.668 57.949 56.287 -0.011 0.000 0.945 54 K CB -0.380 32.108 32.500 -0.021 0.000 0.722 54 K HN 0.425 8.675 8.250 -0.000 0.000 0.443 55 I N 1.074 121.654 120.570 0.016 0.000 2.500 55 I HA -0.138 4.033 4.170 0.001 0.000 0.252 55 I C 1.986 178.205 176.117 0.170 0.000 1.142 55 I CA 0.799 62.140 61.300 0.069 0.000 1.451 55 I CB 0.082 38.105 38.000 0.037 0.000 1.093 55 I HN 0.122 8.332 8.210 -0.000 0.000 0.430 56 L N -0.568 120.749 121.223 0.157 0.000 2.470 56 L HA 0.050 4.390 4.340 0.001 0.000 0.219 56 L C 2.604 179.634 176.870 0.267 0.000 1.071 56 L CA 0.517 55.525 54.840 0.281 0.000 0.850 56 L CB -0.354 41.831 42.059 0.209 0.000 1.040 56 L HN 0.200 8.430 8.230 -0.000 0.000 0.475 57 S N 0.369 116.151 115.700 0.137 0.000 2.400 57 S HA -0.062 4.409 4.470 0.001 0.000 0.232 57 S C -0.566 174.059 174.600 0.041 0.000 1.025 57 S CA 0.712 58.971 58.200 0.098 0.000 0.993 57 S CB -1.599 61.637 63.200 0.060 0.000 0.808 57 S HN 0.197 8.507 8.310 -0.000 0.000 0.478 58 P HA -0.075 4.345 4.420 -0.000 0.000 0.222 58 P C 0.372 177.483 177.300 -0.316 0.000 1.142 58 P CA 1.115 64.068 63.100 -0.246 0.000 0.788 58 P CB -0.257 31.186 31.700 -0.428 0.000 0.767 59 Y N -1.993 118.345 120.300 0.064 0.000 2.449 59 Y HA 0.398 4.949 4.550 0.001 0.000 0.254 59 Y C 1.294 177.253 175.900 0.099 0.000 1.140 59 Y CA -0.498 57.651 58.100 0.081 0.000 1.272 59 Y CB 0.109 38.627 38.460 0.098 0.000 1.114 59 Y HN -0.172 8.108 8.280 -0.000 0.000 0.525 60 A N 0.028 122.973 122.820 0.208 0.000 2.306 60 A HA 0.458 4.778 4.320 0.001 0.000 0.330 60 A C 1.115 178.744 177.584 0.075 0.000 1.146 60 A CA 0.042 52.171 52.037 0.153 0.000 0.827 60 A CB 0.658 19.758 19.000 0.167 0.000 1.178 60 A HN 0.232 8.382 8.150 -0.000 0.000 0.490 61 S N 0.392 116.114 115.700 0.035 0.000 2.458 61 S HA 0.471 4.941 4.470 0.001 0.000 0.223 61 S C 0.722 175.342 174.600 0.033 0.000 1.019 61 S CA 0.776 58.981 58.200 0.009 0.000 0.937 61 S CB -0.179 62.996 63.200 -0.042 0.000 0.788 61 S HN 1.887 10.197 8.310 -0.000 0.000 0.511 62 A N 0.136 122.990 122.820 0.056 0.000 2.569 62 A HA 0.812 5.132 4.320 0.001 0.000 0.290 62 A C -1.362 176.282 177.584 0.099 0.000 1.136 62 A CA -0.610 51.475 52.037 0.080 0.000 0.710 62 A CB 1.801 20.859 19.000 0.097 0.000 1.303 62 A HN 0.785 8.935 8.150 -0.000 0.000 0.413 63 V N 1.319 121.298 119.914 0.107 0.000 2.686 63 V HA 0.608 4.728 4.120 0.001 0.000 0.306 63 V C -1.347 174.822 176.094 0.124 0.000 1.065 63 V CA -0.678 61.698 62.300 0.126 0.000 0.894 63 V CB 1.593 33.488 31.823 0.120 0.000 1.004 63 V HN 0.931 9.121 8.190 -0.000 0.000 0.424 64 L N 7.445 128.751 121.223 0.138 0.000 2.264 64 L HA 0.633 4.974 4.340 0.001 0.000 0.289 64 L C -1.232 175.715 176.870 0.129 0.000 1.044 64 L CA -0.339 54.576 54.840 0.124 0.000 0.807 64 L CB 1.062 43.201 42.059 0.133 0.000 1.192 64 L HN 0.677 8.907 8.230 -0.000 0.000 0.425 65 L N 3.902 125.191 121.223 0.111 0.000 2.301 65 L HA 0.579 4.919 4.340 0.001 0.000 0.264 65 L C -0.757 176.162 176.870 0.082 0.000 1.016 65 L CA -0.901 54.017 54.840 0.129 0.000 0.821 65 L CB 2.063 44.243 42.059 0.202 0.000 1.346 65 L HN 0.536 8.766 8.230 -0.000 0.000 0.429 66 D N -0.041 120.424 120.400 0.108 0.000 2.248 66 D HA 0.177 4.817 4.640 0.001 0.000 0.246 66 D C -0.037 176.313 176.300 0.083 0.000 1.027 66 D CA -0.636 53.397 54.000 0.054 0.000 0.853 66 D CB 2.107 42.956 40.800 0.082 0.000 1.243 66 D HN 0.569 8.939 8.370 -0.000 0.000 0.462 67 Q N 0.531 120.337 119.800 0.009 0.000 2.135 67 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 67 Q C 1.848 177.833 176.000 -0.025 0.000 0.981 67 Q CA 1.367 57.199 55.803 0.048 0.000 0.856 67 Q CB 0.048 28.778 28.738 -0.013 0.000 0.902 67 Q HN 0.625 8.895 8.270 -0.000 0.000 0.425 68 Q N -0.647 119.078 119.800 -0.126 0.000 2.135 68 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 68 Q C 0.915 176.580 176.000 -0.559 0.000 0.981 68 Q CA 1.483 57.056 55.803 -0.382 0.000 0.856 68 Q CB 0.178 28.621 28.738 -0.492 0.000 0.902 68 Q HN 0.363 8.633 8.270 -0.000 0.000 0.425 69 F N -3.056 116.901 119.950 0.012 0.000 2.819 69 F HA 0.122 4.650 4.527 0.001 0.000 0.325 69 F C 1.247 177.055 175.800 0.013 0.000 1.041 69 F CA -0.277 57.727 58.000 0.007 0.000 1.184 69 F CB 1.181 40.184 39.000 0.005 0.000 1.019 69 F HN 0.251 8.551 8.300 -0.000 0.000 0.590 70 C N -2.469 116.945 119.300 0.189 0.000 3.897 70 C HA 0.290 4.751 4.460 0.001 0.000 0.304 70 C C 1.508 176.570 174.990 0.120 0.000 2.314 70 C CA -0.787 58.307 59.018 0.126 0.000 1.559 70 C CB -1.822 25.986 27.740 0.114 0.000 3.163 70 C HN 0.475 8.705 8.230 -0.000 0.000 0.476 71 Y N 3.056 123.370 120.300 0.023 0.000 2.130 71 Y HA 0.134 4.685 4.550 0.001 0.000 0.287 71 Y C 2.589 178.492 175.900 0.006 0.000 1.124 71 Y CA 2.061 60.169 58.100 0.013 0.000 1.118 71 Y CB -0.394 38.069 38.460 0.004 0.000 0.994 71 Y HN 0.192 8.473 8.280 -0.000 0.000 0.497 72 R N 0.412 120.801 120.500 -0.185 0.000 2.136 72 R HA -0.272 4.069 4.340 0.001 0.000 0.242 72 R C 2.211 178.395 176.300 -0.192 0.000 1.131 72 R CA 2.509 58.479 56.100 -0.217 0.000 0.937 72 R CB -0.703 29.551 30.300 -0.076 0.000 0.863 72 R HN 0.430 8.700 8.270 -0.000 0.000 0.435 73 Q N -0.777 118.962 119.800 -0.102 0.000 2.084 73 Q HA -0.046 4.294 4.340 0.001 0.000 0.202 73 Q C 2.084 178.034 176.000 -0.085 0.000 0.978 73 Q CA 1.900 57.662 55.803 -0.068 0.000 0.844 73 Q CB -0.321 28.404 28.738 -0.022 0.000 0.898 73 Q HN 0.458 8.728 8.270 -0.000 0.000 0.426 74 A N 0.324 123.086 122.820 -0.097 0.000 1.930 74 A HA -0.135 4.186 4.320 0.001 0.000 0.217 74 A C 2.283 179.799 177.584 -0.113 0.000 1.175 74 A CA 1.633 53.623 52.037 -0.079 0.000 0.627 74 A CB -0.997 17.983 19.000 -0.033 0.000 0.815 74 A HN 0.335 8.485 8.150 -0.000 0.000 0.443 75 V N -1.950 117.837 119.914 -0.212 0.000 2.379 75 V HA -0.161 3.959 4.120 0.001 0.000 0.245 75 V C 2.122 178.144 176.094 -0.120 0.000 1.044 75 V CA 2.565 64.755 62.300 -0.184 0.000 1.036 75 V CB -0.975 30.679 31.823 -0.281 0.000 0.664 75 V HN 0.421 8.611 8.190 -0.000 0.000 0.453 76 E N 1.190 121.316 120.200 -0.122 0.000 2.049 76 E HA -0.241 4.109 4.350 0.001 0.000 0.198 76 E C 2.177 178.743 176.600 -0.057 0.000 1.007 76 E CA 2.182 58.534 56.400 -0.080 0.000 0.809 76 E CB -0.449 29.208 29.700 -0.071 0.000 0.749 76 E HN 0.845 9.205 8.360 -0.000 0.000 0.450 77 Q N -0.045 119.722 119.800 -0.055 0.000 2.228 77 Q HA 0.154 4.494 4.340 0.001 0.000 0.211 77 Q C -0.674 175.305 176.000 -0.035 0.000 0.890 77 Q CA -0.024 55.756 55.803 -0.039 0.000 0.953 77 Q CB -0.252 28.465 28.738 -0.034 0.000 1.053 77 Q HN 0.331 8.601 8.270 -0.000 0.000 0.471 78 N N 0.639 119.315 118.700 -0.040 0.000 2.704 78 N HA -0.300 4.440 4.740 0.001 0.000 0.259 78 N C 0.639 176.135 175.510 -0.024 0.000 0.957 78 N CA 0.169 53.200 53.050 -0.031 0.000 0.804 78 N CB -0.358 38.115 38.487 -0.024 0.000 0.917 78 N HN 0.436 8.816 8.380 -0.000 0.000 0.545 79 A N -0.643 122.161 122.820 -0.027 0.000 2.066 79 A HA 0.055 4.376 4.320 0.001 0.000 0.218 79 A C 0.947 178.526 177.584 -0.008 0.000 1.157 79 A CA 0.628 52.653 52.037 -0.020 0.000 0.670 79 A CB 0.497 19.482 19.000 -0.024 0.000 0.804 79 A HN 0.212 8.362 8.150 -0.000 0.000 0.453 80 V N 0.896 120.810 119.914 -0.001 0.000 2.461 80 V HA 0.483 4.603 4.120 0.001 0.000 0.275 80 V C 0.943 177.040 176.094 0.005 0.000 1.047 80 V CA -0.634 61.675 62.300 0.015 0.000 0.955 80 V CB 0.479 32.322 31.823 0.034 0.000 0.988 80 V HN 0.516 8.706 8.190 -0.000 0.000 0.471 81 A N 4.676 127.497 122.820 0.002 0.000 2.492 81 A HA 0.131 4.451 4.320 0.001 0.000 0.236 81 A C 1.525 179.105 177.584 -0.006 0.000 1.078 81 A CA 0.334 52.364 52.037 -0.013 0.000 0.773 81 A CB 0.068 19.049 19.000 -0.031 0.000 1.023 81 A HN 0.962 9.112 8.150 -0.000 0.000 0.504 82 K N 0.474 120.866 120.400 -0.014 0.000 2.025 82 K HA -0.134 4.187 4.320 0.001 0.000 0.207 82 K C 2.029 178.626 176.600 -0.006 0.000 1.049 82 K CA 1.852 58.135 56.287 -0.008 0.000 0.933 82 K CB -0.284 32.208 32.500 -0.013 0.000 0.714 82 K HN 0.872 9.122 8.250 -0.000 0.000 0.438 83 S N 0.006 115.697 115.700 -0.015 0.000 2.500 83 S HA -0.106 4.364 4.470 0.001 0.000 0.239 83 S C 1.060 175.658 174.600 -0.003 0.000 0.989 83 S CA 0.369 58.560 58.200 -0.015 0.000 0.951 83 S CB -0.960 62.222 63.200 -0.030 0.000 0.759 83 S HN 0.399 8.709 8.310 -0.000 0.000 0.523 84 C N 1.760 121.064 119.300 0.007 0.000 2.355 84 C HA 0.856 5.317 4.460 0.001 0.000 0.332 84 C C 0.669 175.681 174.990 0.037 0.000 1.255 84 C CA -0.462 58.572 59.018 0.026 0.000 1.792 84 C CB 0.351 28.113 27.740 0.037 0.000 2.300 84 C HN 0.678 8.908 8.230 -0.000 0.000 0.515 88 V N 3.563 123.443 119.914 -0.056 0.000 2.417 88 V HA 0.717 4.837 4.120 0.001 0.000 0.291 88 V C 0.753 176.799 176.094 -0.079 0.000 1.024 88 V CA -0.717 61.489 62.300 -0.156 0.000 0.861 88 V CB 1.746 33.337 31.823 -0.387 0.000 0.985 88 V HN 0.915 9.105 8.190 -0.000 0.000 0.436 89 A N 3.723 126.501 122.820 -0.070 0.000 2.520 89 A HA 0.573 4.894 4.320 0.001 0.000 0.245 89 A C 0.899 178.427 177.584 -0.094 0.000 1.072 89 A CA 0.539 52.537 52.037 -0.066 0.000 0.761 89 A CB 0.385 19.335 19.000 -0.084 0.000 1.004 89 A HN 1.519 9.669 8.150 -0.000 0.000 0.499 90 A N 2.570 125.346 122.820 -0.072 0.000 2.631 90 A HA 0.471 4.791 4.320 0.001 0.000 0.294 90 A C -0.355 177.162 177.584 -0.111 0.000 1.156 90 A CA -0.083 51.924 52.037 -0.051 0.000 0.963 90 A CB -0.189 18.875 19.000 0.107 0.000 1.202 90 A HN 0.803 8.953 8.150 -0.000 0.000 0.523 91 D N -0.336 119.962 120.400 -0.170 0.000 2.278 91 D HA 0.426 5.066 4.640 0.001 0.000 0.245 91 D C -1.093 175.062 176.300 -0.242 0.000 1.052 91 D CA -0.494 53.411 54.000 -0.159 0.000 0.834 91 D CB 1.320 42.089 40.800 -0.051 0.000 1.194 91 D HN -0.013 8.357 8.370 -0.000 0.000 0.481 92 D N 1.775 122.106 120.400 -0.115 0.000 2.396 92 D HA 0.175 4.815 4.640 0.001 0.000 0.225 92 D C -0.845 175.498 176.300 0.071 0.000 1.121 92 D CA -0.506 53.437 54.000 -0.094 0.000 0.853 92 D CB 0.026 40.799 40.800 -0.045 0.000 1.043 92 D HN 0.315 8.685 8.370 -0.000 0.000 0.500 93 F N 3.679 123.627 119.950 -0.005 0.000 2.467 93 F HA 0.297 4.824 4.527 0.001 0.000 0.362 93 F C 0.758 176.560 175.800 0.003 0.000 1.090 93 F CA -0.784 57.218 58.000 0.002 0.000 1.202 93 F CB 0.874 39.888 39.000 0.023 0.000 1.113 93 F HN 0.106 8.406 8.300 -0.000 0.000 0.541 94 I N 5.918 126.598 120.570 0.184 0.000 2.362 94 I HA 0.269 4.440 4.170 0.001 0.000 0.289 94 I C -2.166 173.985 176.117 0.058 0.000 0.994 94 I CA -2.369 58.987 61.300 0.094 0.000 1.158 94 I CB 1.622 39.655 38.000 0.054 0.000 1.315 94 I HN 0.283 8.493 8.210 -0.000 0.000 0.451 95 P HA 0.408 4.828 4.420 -0.000 0.000 0.274 95 P C -0.229 177.077 177.300 0.009 0.000 1.246 95 P CA -0.038 63.079 63.100 0.028 0.000 0.795 95 P CB 1.254 32.977 31.700 0.038 0.000 1.006 96 G N -0.141 108.658 108.800 -0.003 0.000 2.377 96 G HA2 0.181 4.142 3.960 0.001 0.000 0.297 96 G HA3 0.181 4.142 3.960 0.001 0.000 0.297 96 G C -0.797 174.092 174.900 -0.018 0.000 1.547 96 G CA -0.764 44.330 45.100 -0.010 0.000 0.833 96 G HN 0.486 8.776 8.290 -0.000 0.000 0.583 97 N N -0.612 118.078 118.700 -0.018 0.000 2.708 97 N HA -0.242 4.498 4.740 0.001 0.000 0.251 97 N C 1.589 177.087 175.510 -0.019 0.000 1.017 97 N CA 2.668 55.706 53.050 -0.021 0.000 0.742 97 N CB -0.888 37.580 38.487 -0.030 0.000 0.943 97 N HN 2.441 10.821 8.380 -0.000 0.000 0.539 98 G N -0.762 108.030 108.800 -0.012 0.000 2.155 98 G HA2 -0.318 3.643 3.960 0.001 0.000 0.257 98 G HA3 -0.318 3.643 3.960 0.001 0.000 0.257 98 G C 0.201 175.095 174.900 -0.010 0.000 0.983 98 G CA 0.735 45.829 45.100 -0.009 0.000 0.676 98 G HN 0.802 9.092 8.290 -0.000 0.000 0.528 99 I N -3.572 116.989 120.570 -0.016 0.000 2.740 99 I HA 0.711 4.882 4.170 0.001 0.000 0.303 99 I C -1.341 174.768 176.117 -0.013 0.000 1.044 99 I CA -2.907 58.381 61.300 -0.019 0.000 1.064 99 I CB 2.120 40.098 38.000 -0.036 0.000 1.249 99 I HN -0.149 8.061 8.210 -0.000 0.000 0.433 100 P HA -0.061 4.359 4.420 -0.000 0.000 0.225 100 P C 0.445 177.745 177.300 0.000 0.000 1.156 100 P CA 0.853 63.964 63.100 0.018 0.000 0.787 100 P CB 0.471 32.194 31.700 0.038 0.000 0.802 101 V N 0.957 120.821 119.914 -0.083 0.000 2.380 101 V HA 0.258 4.378 4.120 0.001 0.000 0.268 101 V C 0.586 176.606 176.094 -0.123 0.000 1.008 101 V CA -0.431 61.775 62.300 -0.156 0.000 0.823 101 V CB 0.414 31.929 31.823 -0.513 0.000 1.053 101 V HN -0.124 8.066 8.190 -0.000 0.000 0.446 102 D N 4.415 124.776 120.400 -0.064 0.000 2.240 102 D HA 0.024 4.664 4.640 0.001 0.000 0.206 102 D C 0.333 176.602 176.300 -0.053 0.000 0.963 102 D CA 0.442 54.408 54.000 -0.057 0.000 0.863 102 D CB 0.639 41.416 40.800 -0.037 0.000 0.973 102 D HN 0.585 8.955 8.370 -0.000 0.000 0.501 103 N N -0.521 118.160 118.700 -0.032 0.000 2.329 103 N HA 0.306 5.046 4.740 0.001 0.000 0.282 103 N C -2.016 173.507 175.510 0.023 0.000 1.198 103 N CA -0.714 52.326 53.050 -0.016 0.000 0.790 103 N CB 2.490 40.970 38.487 -0.012 0.000 1.579 103 N HN -0.157 8.223 8.380 -0.000 0.000 0.475 104 V N 2.681 122.611 119.914 0.028 0.000 2.709 104 V HA 0.848 4.969 4.120 0.001 0.000 0.308 104 V C -0.848 175.269 176.094 0.038 0.000 1.062 104 V CA -0.393 61.954 62.300 0.078 0.000 0.901 104 V CB 1.499 33.374 31.823 0.088 0.000 1.003 104 V HN 0.633 8.823 8.190 -0.000 0.000 0.425 105 V N 4.063 124.001 119.914 0.040 0.000 3.158 105 V HA 0.665 4.785 4.120 0.001 0.000 0.311 105 V C -0.540 175.548 176.094 -0.009 0.000 1.181 105 V CA -1.134 61.170 62.300 0.008 0.000 1.054 105 V CB 1.965 33.792 31.823 0.007 0.000 1.085 105 V HN 0.881 9.071 8.190 -0.000 0.000 0.446 106 L N 1.781 122.995 121.223 -0.014 0.000 2.410 106 L HA 0.344 4.685 4.340 0.001 0.000 0.273 106 L C 0.044 176.905 176.870 -0.016 0.000 1.152 106 L CA 0.059 54.889 54.840 -0.017 0.000 0.855 106 L CB 0.720 42.789 42.059 0.018 0.000 1.129 106 L HN 0.939 9.169 8.230 -0.000 0.000 0.463 107 D N 4.202 124.583 120.400 -0.032 0.000 2.358 107 D HA 0.009 4.650 4.640 0.001 0.000 0.258 107 D C 0.659 176.948 176.300 -0.019 0.000 1.223 107 D CA 0.016 53.992 54.000 -0.039 0.000 0.886 107 D CB 0.948 41.705 40.800 -0.070 0.000 1.120 107 D HN 0.299 8.669 8.370 -0.000 0.000 0.482 108 K N 3.123 123.513 120.400 -0.017 0.000 2.167 108 K HA -0.074 4.247 4.320 0.001 0.000 0.203 108 K C 0.790 177.382 176.600 -0.014 0.000 1.052 108 K CA 0.568 56.849 56.287 -0.009 0.000 0.956 108 K CB -0.142 32.353 32.500 -0.007 0.000 0.735 108 K HN 0.531 8.781 8.250 -0.000 0.000 0.451 109 K N 1.357 121.744 120.400 -0.023 0.000 3.006 109 K HA 0.210 4.531 4.320 0.001 0.000 0.265 109 K C -0.364 176.219 176.600 -0.028 0.000 1.279 109 K CA -0.053 56.220 56.287 -0.024 0.000 1.229 109 K CB -0.505 31.977 32.500 -0.029 0.000 1.555 109 K HN -0.106 8.144 8.250 -0.000 0.000 0.300 110 I N 1.462 122.019 120.570 -0.023 0.000 2.478 110 I HA 0.196 4.367 4.170 0.001 0.000 0.287 110 I C -1.589 174.518 176.117 -0.016 0.000 1.042 110 I CA -0.830 60.453 61.300 -0.027 0.000 1.067 110 I CB 1.775 39.756 38.000 -0.032 0.000 1.233 110 I HN 0.268 8.478 8.210 -0.000 0.000 0.431 111 N N 6.056 124.749 118.700 -0.011 0.000 2.609 111 N HA 0.402 5.142 4.740 0.001 0.000 0.234 111 N C 0.608 176.115 175.510 -0.005 0.000 1.001 111 N CA 0.165 53.213 53.050 -0.002 0.000 0.926 111 N CB 1.653 40.145 38.487 0.009 0.000 1.130 111 N HN 0.752 9.132 8.380 -0.000 0.000 0.510 112 A N 3.390 126.204 122.820 -0.011 0.000 1.972 112 A HA -0.140 4.180 4.320 0.001 0.000 0.219 112 A C 1.902 179.486 177.584 0.001 0.000 1.169 112 A CA 1.131 53.158 52.037 -0.017 0.000 0.635 112 A CB -0.162 18.821 19.000 -0.029 0.000 0.810 112 A HN 0.693 8.843 8.150 -0.000 0.000 0.446 113 Q N -0.437 119.368 119.800 0.008 0.000 2.050 113 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 113 Q C 2.533 178.550 176.000 0.028 0.000 0.980 113 Q CA 1.572 57.386 55.803 0.018 0.000 0.840 113 Q CB -0.691 28.056 28.738 0.016 0.000 0.898 113 Q HN 0.650 8.920 8.270 -0.000 0.000 0.424 114 A N 0.627 123.466 122.820 0.031 0.000 1.873 114 A HA -0.179 4.141 4.320 0.001 0.000 0.218 114 A C 2.463 180.095 177.584 0.080 0.000 1.193 114 A CA 1.954 54.021 52.037 0.051 0.000 0.629 114 A CB -0.970 18.062 19.000 0.054 0.000 0.826 114 A HN 0.219 8.369 8.150 -0.000 0.000 0.447 115 V N 0.207 120.165 119.914 0.072 0.000 2.343 115 V HA -0.268 3.852 4.120 0.001 0.000 0.247 115 V C 2.591 178.736 176.094 0.085 0.000 1.051 115 V CA 2.418 64.771 62.300 0.089 0.000 1.036 115 V CB -0.594 31.203 31.823 -0.043 0.000 0.654 115 V HN 0.674 8.864 8.190 -0.000 0.000 0.451 116 K N -0.164 120.265 120.400 0.049 0.000 2.097 116 K HA -0.207 4.113 4.320 0.001 0.000 0.206 116 K C 2.371 179.005 176.600 0.057 0.000 1.049 116 K CA 1.501 57.817 56.287 0.049 0.000 0.933 116 K CB -0.143 32.379 32.500 0.037 0.000 0.717 116 K HN 0.280 8.530 8.250 -0.000 0.000 0.442 117 R N 0.444 120.977 120.500 0.055 0.000 2.120 117 R HA -0.091 4.249 4.340 0.001 0.000 0.234 117 R C 0.725 177.058 176.300 0.054 0.000 1.123 117 R CA 1.524 57.653 56.100 0.048 0.000 0.975 117 R CB 0.093 30.418 30.300 0.041 0.000 0.866 117 R HN 0.239 8.509 8.270 -0.000 0.000 0.446 118 D N -1.139 119.310 120.400 0.083 0.000 2.319 118 D HA 0.085 4.725 4.640 0.001 0.000 0.230 118 D C 0.901 177.255 176.300 0.090 0.000 1.094 118 D CA 0.867 54.918 54.000 0.085 0.000 0.856 118 D CB 0.710 41.591 40.800 0.135 0.000 0.915 118 D HN 0.460 8.830 8.370 -0.000 0.000 0.517 119 G N 0.653 109.501 108.800 0.080 0.000 2.176 119 G HA2 -0.252 3.709 3.960 0.001 0.000 0.253 119 G HA3 -0.252 3.709 3.960 0.001 0.000 0.253 119 G C 0.636 175.587 174.900 0.086 0.000 0.979 119 G CA 0.088 45.231 45.100 0.072 0.000 0.641 119 G HN 0.616 8.906 8.290 -0.000 0.000 0.530 120 A N -0.100 122.783 122.820 0.106 0.000 2.520 120 A HA 0.546 4.867 4.320 0.001 0.000 0.235 120 A C 1.223 178.843 177.584 0.061 0.000 1.065 120 A CA 1.224 53.312 52.037 0.085 0.000 0.764 120 A CB 0.243 19.274 19.000 0.052 0.000 1.002 120 A HN 0.448 8.598 8.150 -0.000 0.000 0.502 121 K N 0.411 120.845 120.400 0.058 0.000 2.438 121 K HA 0.471 4.792 4.320 0.001 0.000 0.206 121 K C -0.127 176.501 176.600 0.047 0.000 1.081 121 K CA 0.806 57.130 56.287 0.061 0.000 1.053 121 K CB 0.742 33.285 32.500 0.073 0.000 0.908 121 K HN 0.920 9.170 8.250 -0.000 0.000 0.556 122 A N 0.921 123.756 122.820 0.026 0.000 2.590 122 A HA 0.550 4.870 4.320 0.001 0.000 0.294 122 A C -2.138 175.454 177.584 0.014 0.000 1.046 122 A CA -0.751 51.294 52.037 0.013 0.000 0.684 122 A CB 0.950 19.982 19.000 0.054 0.000 1.279 122 A HN 0.009 8.159 8.150 -0.000 0.000 0.415 123 L N 0.845 122.086 121.223 0.030 0.000 2.323 123 L HA 0.863 5.203 4.340 0.001 0.000 0.265 123 L C -0.020 177.027 176.870 0.296 0.000 1.012 123 L CA -0.409 54.508 54.840 0.129 0.000 0.820 123 L CB 1.920 44.075 42.059 0.161 0.000 1.334 123 L HN 0.936 9.166 8.230 -0.000 0.000 0.427 124 K N 1.324 121.852 120.400 0.214 0.000 2.371 124 K HA 0.793 5.113 4.320 0.001 0.000 0.251 124 K C -1.881 174.597 176.600 -0.203 0.000 0.934 124 K CA -0.481 55.864 56.287 0.097 0.000 0.798 124 K CB 1.868 34.401 32.500 0.054 0.000 1.204 124 K HN 0.329 8.579 8.250 -0.000 0.000 0.427 125 L N 4.168 125.103 121.223 -0.480 0.000 2.404 125 L HA 0.481 4.821 4.340 0.001 0.000 0.272 125 L C -1.660 175.035 176.870 -0.292 0.000 0.980 125 L CA -0.961 53.499 54.840 -0.634 0.000 0.836 125 L CB 1.598 42.803 42.059 -1.422 0.000 1.238 125 L HN 0.875 9.105 8.230 -0.000 0.000 0.408 126 L N 5.874 127.031 121.223 -0.109 0.000 2.416 126 L HA 0.555 4.896 4.340 0.001 0.000 0.272 126 L C -0.873 175.963 176.870 -0.056 0.000 1.161 126 L CA 0.373 55.193 54.840 -0.033 0.000 0.845 126 L CB 1.111 43.224 42.059 0.091 0.000 1.119 126 L HN 0.447 8.677 8.230 -0.000 0.000 0.464 127 V N 6.718 126.603 119.914 -0.048 0.000 2.447 127 V HA 0.309 4.429 4.120 0.001 0.000 0.292 127 V C -0.055 176.059 176.094 0.033 0.000 1.021 127 V CA -0.636 61.655 62.300 -0.015 0.000 0.850 127 V CB 1.376 33.194 31.823 -0.009 0.000 1.005 127 V HN 0.596 8.786 8.190 -0.000 0.000 0.426 128 L N 3.958 125.194 121.223 0.022 0.000 2.360 128 L HA 0.315 4.655 4.340 0.001 0.000 0.276 128 L C -0.593 176.332 176.870 0.091 0.000 1.121 128 L CA 0.154 55.019 54.840 0.041 0.000 0.845 128 L CB 0.714 42.763 42.059 -0.016 0.000 1.143 128 L HN 0.691 8.921 8.230 -0.000 0.000 0.452 129 W N 5.422 126.707 121.300 -0.024 0.000 2.361 129 W HA 0.456 5.116 4.660 0.000 0.000 0.314 129 W C -0.355 176.164 176.519 0.000 0.000 1.041 129 W CA -0.579 56.764 57.345 -0.002 0.000 1.241 129 W CB 0.938 30.410 29.460 0.019 0.000 1.279 129 W HN 0.373 8.553 8.180 -0.000 0.000 0.436 130 R N 3.204 123.414 120.500 -0.483 0.000 2.561 130 R HA 0.158 4.499 4.340 0.001 0.000 0.297 130 R C 1.292 177.087 176.300 -0.842 0.000 0.969 130 R CA -0.013 55.838 56.100 -0.415 0.000 0.879 130 R CB 2.126 32.280 30.300 -0.243 0.000 1.178 130 R HN 0.645 8.915 8.270 -0.000 0.000 0.445 131 S N 0.843 116.207 115.700 -0.559 0.000 2.419 131 S HA -0.177 4.294 4.470 0.001 0.000 0.235 131 S C 0.989 175.427 174.600 -0.269 0.000 1.019 131 S CA 1.567 59.521 58.200 -0.411 0.000 0.982 131 S CB -0.074 63.184 63.200 0.096 0.000 0.789 131 S HN 0.759 9.069 8.310 -0.000 0.000 0.490 132 D N 0.499 120.773 120.400 -0.210 0.000 2.427 132 D HA 0.254 4.894 4.640 0.001 0.000 0.224 132 D C 0.036 176.232 176.300 -0.172 0.000 1.157 132 D CA -0.284 53.628 54.000 -0.147 0.000 0.828 132 D CB -0.230 40.519 40.800 -0.085 0.000 0.974 132 D HN 0.518 8.888 8.370 -0.000 0.000 0.498 133 E N -0.042 120.002 120.200 -0.260 0.000 2.281 133 E HA 0.250 4.600 4.350 0.001 0.000 0.262 133 E C -1.208 175.257 176.600 -0.226 0.000 0.933 133 E CA -0.957 55.309 56.400 -0.223 0.000 0.809 133 E CB 1.448 31.006 29.700 -0.237 0.000 1.242 133 E HN -0.070 8.290 8.360 -0.000 0.000 0.418 134 D N 0.662 120.970 120.400 -0.154 0.000 2.339 134 D HA 0.143 4.783 4.640 0.001 0.000 0.256 134 D C 0.497 176.728 176.300 -0.114 0.000 1.214 134 D CA 0.169 54.101 54.000 -0.113 0.000 0.877 134 D CB 1.247 42.005 40.800 -0.070 0.000 1.111 134 D HN 0.505 8.875 8.370 -0.000 0.000 0.478 135 A N 3.957 126.718 122.820 -0.098 0.000 1.908 135 A HA -0.244 4.076 4.320 0.001 0.000 0.218 135 A C 1.926 179.509 177.584 -0.002 0.000 1.181 135 A CA 1.551 53.563 52.037 -0.042 0.000 0.627 135 A CB -0.611 18.398 19.000 0.015 0.000 0.818 135 A HN 0.620 8.770 8.150 -0.000 0.000 0.445 136 Q N -0.245 119.553 119.800 -0.003 0.000 2.135 136 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 136 Q C 2.106 178.110 176.000 0.006 0.000 0.981 136 Q CA 2.295 58.103 55.803 0.009 0.000 0.856 136 Q CB -0.446 28.295 28.738 0.005 0.000 0.902 136 Q HN 0.792 9.062 8.270 -0.000 0.000 0.425 137 Q N -0.749 119.043 119.800 -0.012 0.000 2.167 137 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 137 Q C 1.897 177.894 176.000 -0.005 0.000 0.970 137 Q CA 1.140 56.935 55.803 -0.013 0.000 0.855 137 Q CB 0.083 28.802 28.738 -0.031 0.000 0.911 137 Q HN 0.324 8.594 8.270 -0.000 0.000 0.438 138 R N -0.121 120.375 120.500 -0.007 0.000 2.061 138 R HA -0.077 4.264 4.340 0.001 0.000 0.230 138 R C 2.470 178.796 176.300 0.042 0.000 1.140 138 R CA 1.390 57.498 56.100 0.014 0.000 0.940 138 R CB -0.524 29.790 30.300 0.023 0.000 0.839 138 R HN 0.264 8.534 8.270 -0.000 0.000 0.429 139 L N 1.197 122.453 121.223 0.056 0.000 2.064 139 L HA -0.258 4.083 4.340 0.001 0.000 0.216 139 L C 0.980 177.886 176.870 0.060 0.000 1.077 139 L CA 1.267 56.147 54.840 0.068 0.000 0.766 139 L CB -0.752 41.346 42.059 0.065 0.000 0.890 139 L HN 0.309 8.539 8.230 -0.000 0.000 0.435 143 K N 0.869 121.329 120.400 0.101 0.000 2.025 143 K HA -0.127 4.194 4.320 0.001 0.000 0.207 143 K C 1.904 178.530 176.600 0.044 0.000 1.049 143 K CA 1.960 58.287 56.287 0.065 0.000 0.933 143 K CB 0.006 32.540 32.500 0.056 0.000 0.714 143 K HN 0.623 8.873 8.250 -0.000 0.000 0.438 144 E N 0.120 120.356 120.200 0.061 0.000 2.085 144 E HA -0.216 4.134 4.350 0.001 0.000 0.194 144 E C 1.906 178.538 176.600 0.052 0.000 0.994 144 E CA 1.138 57.568 56.400 0.050 0.000 0.801 144 E CB -0.150 29.585 29.700 0.058 0.000 0.743 144 E HN 0.209 8.569 8.360 -0.000 0.000 0.453 145 F N 1.653 121.569 119.950 -0.056 0.000 2.186 145 F HA -0.096 4.432 4.527 0.001 0.000 0.299 145 F C 1.759 177.465 175.800 -0.156 0.000 1.090 145 F CA 1.366 59.314 58.000 -0.085 0.000 1.307 145 F CB -0.296 38.663 39.000 -0.068 0.000 1.019 145 F HN 0.004 8.304 8.300 -0.000 0.000 0.489 146 N N 0.752 119.241 118.700 -0.350 0.000 2.166 146 N HA -0.186 4.554 4.740 0.001 0.000 0.186 146 N C 1.822 176.989 175.510 -0.573 0.000 1.019 146 N CA 1.493 54.185 53.050 -0.597 0.000 0.856 146 N CB -0.468 37.864 38.487 -0.258 0.000 0.993 146 N HN 0.496 8.876 8.380 -0.000 0.000 0.426 147 E N 0.667 120.718 120.200 -0.248 0.000 2.046 147 E HA -0.078 4.273 4.350 0.001 0.000 0.190 147 E C 1.858 178.363 176.600 -0.158 0.000 0.982 147 E CA 0.502 56.828 56.400 -0.123 0.000 0.800 147 E CB -0.499 29.180 29.700 -0.035 0.000 0.756 147 E HN 0.170 8.530 8.360 -0.000 0.000 0.449 148 L N 0.438 121.552 121.223 -0.181 0.000 2.021 148 L HA -0.258 4.083 4.340 0.001 0.000 0.215 148 L C 2.182 178.915 176.870 -0.228 0.000 1.074 148 L CA 2.084 56.829 54.840 -0.159 0.000 0.760 148 L CB -0.904 41.084 42.059 -0.119 0.000 0.889 148 L HN 0.402 8.632 8.230 -0.000 0.000 0.433 149 C N -0.937 118.097 119.300 -0.444 0.000 2.496 149 C HA -0.156 4.305 4.460 0.001 0.000 0.281 149 C C 2.542 177.388 174.990 -0.239 0.000 1.250 149 C CA 1.114 59.867 59.018 -0.441 0.000 1.717 149 C CB -1.470 25.812 27.740 -0.763 0.000 2.082 149 C HN 0.659 8.889 8.230 -0.000 0.000 0.472 150 H N 1.001 119.923 119.070 -0.248 0.000 2.389 150 H HA -0.110 4.447 4.556 0.001 0.000 0.299 150 H C 2.453 177.815 175.328 0.056 0.000 1.081 150 H CA 1.471 57.447 56.048 -0.120 0.000 1.345 150 H CB -0.106 29.631 29.762 -0.042 0.000 1.393 150 H HN 0.575 8.855 8.280 -0.000 0.000 0.520 151 S N 0.470 116.242 115.700 0.120 0.000 2.474 151 S HA -0.092 4.378 4.470 0.001 0.000 0.235 151 S C 1.395 176.033 174.600 0.064 0.000 0.997 151 S CA 0.858 59.108 58.200 0.084 0.000 0.949 151 S CB -0.010 63.214 63.200 0.040 0.000 0.766 151 S HN 0.405 8.715 8.310 -0.000 0.000 0.517 152 N N 0.929 119.656 118.700 0.045 0.000 2.214 152 N HA 0.211 4.951 4.740 0.001 0.000 0.214 152 N C 0.957 176.511 175.510 0.072 0.000 1.132 152 N CA 0.576 53.648 53.050 0.038 0.000 0.856 152 N CB 0.745 39.231 38.487 -0.001 0.000 1.020 152 N HN 0.635 9.015 8.380 -0.000 0.000 0.509 153 G N 1.270 110.159 108.800 0.148 0.000 2.153 153 G HA2 -0.267 3.693 3.960 0.001 0.000 0.252 153 G HA3 -0.267 3.693 3.960 0.001 0.000 0.252 153 G C -0.069 174.951 174.900 0.200 0.000 0.994 153 G CA 0.212 45.452 45.100 0.233 0.000 0.698 153 G HN 0.253 8.543 8.290 -0.000 0.000 0.521 154 L N -0.338 120.918 121.223 0.054 0.000 2.344 154 L HA 0.656 4.997 4.340 0.001 0.000 0.272 154 L C 1.152 177.882 176.870 -0.234 0.000 1.035 154 L CA -1.240 53.570 54.840 -0.050 0.000 0.807 154 L CB 1.369 43.374 42.059 -0.088 0.000 1.237 154 L HN 0.015 8.245 8.230 -0.000 0.000 0.442 155 L N 0.815 121.943 121.223 -0.159 0.000 2.466 155 L HA 0.276 4.617 4.340 0.001 0.000 0.257 155 L C 0.438 177.186 176.870 -0.205 0.000 1.189 155 L CA 0.115 54.841 54.840 -0.190 0.000 0.813 155 L CB 1.217 43.277 42.059 0.001 0.000 1.118 155 L HN 0.548 8.778 8.230 -0.000 0.000 0.471 156 S N 1.874 117.472 115.700 -0.168 0.000 2.552 156 S HA 0.642 5.113 4.470 0.001 0.000 0.314 156 S C -0.784 173.866 174.600 0.083 0.000 1.099 156 S CA -0.591 57.482 58.200 -0.212 0.000 1.070 156 S CB 0.410 63.353 63.200 -0.428 0.000 0.998 156 S HN 0.398 8.708 8.310 -0.000 0.000 0.474 157 I N 6.540 127.259 120.570 0.249 0.000 2.418 157 I HA 0.486 4.656 4.170 0.001 0.000 0.287 157 I C -0.129 176.099 176.117 0.186 0.000 1.008 157 I CA -0.872 60.538 61.300 0.182 0.000 1.104 157 I CB 1.638 39.706 38.000 0.114 0.000 1.264 157 I HN 0.641 8.851 8.210 -0.000 0.000 0.438 158 I N 2.391 123.007 120.570 0.076 0.000 2.525 158 I HA 0.602 4.773 4.170 0.001 0.000 0.301 158 I C -0.448 175.545 176.117 -0.206 0.000 0.992 158 I CA -0.408 60.851 61.300 -0.069 0.000 1.162 158 I CB 2.080 40.063 38.000 -0.029 0.000 1.332 158 I HN 0.637 8.847 8.210 -0.000 0.000 0.458 159 E N 6.054 126.129 120.200 -0.209 0.000 2.873 159 E HA 0.451 4.802 4.350 0.001 0.000 0.232 159 E C -2.681 173.812 176.600 -0.177 0.000 1.123 159 E CA -2.064 54.215 56.400 -0.202 0.000 0.809 159 E CB 1.407 31.055 29.700 -0.086 0.000 1.366 159 E HN 0.458 8.818 8.360 -0.000 0.000 0.400 160 P HA 0.086 4.506 4.420 -0.000 0.000 0.276 160 P C -1.041 176.231 177.300 -0.046 0.000 1.235 160 P CA -0.213 62.823 63.100 -0.107 0.000 0.772 160 P CB 1.179 32.807 31.700 -0.119 0.000 0.871 161 V N 4.609 124.544 119.914 0.035 0.000 2.760 161 V HA 0.248 4.368 4.120 0.001 0.000 0.309 161 V C -0.191 175.981 176.094 0.131 0.000 1.077 161 V CA -0.818 61.511 62.300 0.048 0.000 0.910 161 V CB 2.695 34.525 31.823 0.011 0.000 1.008 161 V HN 0.182 8.372 8.190 -0.000 0.000 0.424 162 V N 6.286 126.288 119.914 0.147 0.000 2.383 162 V HA 0.600 4.721 4.120 0.001 0.000 0.275 162 V C -0.058 176.177 176.094 0.235 0.000 1.036 162 V CA -0.368 62.093 62.300 0.269 0.000 0.889 162 V CB 1.315 33.261 31.823 0.206 0.000 0.985 162 V HN 0.750 8.940 8.190 -0.000 0.000 0.459 163 R N 6.249 126.837 120.500 0.147 0.000 2.807 163 R HA 0.561 4.901 4.340 0.001 0.000 0.276 163 R C -2.754 173.212 176.300 -0.557 0.000 0.979 163 R CA -2.265 53.727 56.100 -0.179 0.000 0.928 163 R CB 2.137 32.367 30.300 -0.116 0.000 1.191 163 R HN 0.377 8.647 8.270 -0.000 0.000 0.471 164 P HA 0.131 4.551 4.420 -0.000 0.000 0.270 164 P C -2.415 174.672 177.300 -0.355 0.000 1.223 164 P CA -1.090 61.398 63.100 -1.019 0.000 0.785 164 P CB -0.210 31.040 31.700 -0.751 0.000 0.923 165 P HA 0.160 4.580 4.420 -0.000 0.000 0.274 165 P C 0.903 178.146 177.300 -0.095 0.000 1.237 165 P CA -0.238 62.806 63.100 -0.094 0.000 0.793 165 P CB 0.828 32.515 31.700 -0.021 0.000 0.977 166 R N 0.897 121.344 120.500 -0.088 0.000 2.070 166 R HA -0.064 4.276 4.340 0.001 0.000 0.232 166 R C 1.053 177.322 176.300 -0.052 0.000 1.138 166 R CA 1.137 57.194 56.100 -0.073 0.000 0.936 166 R CB -1.462 28.795 30.300 -0.071 0.000 0.839 166 R HN 0.619 8.889 8.270 -0.000 0.000 0.429 167 C N 0.570 119.845 119.300 -0.042 0.000 2.355 167 C HA 0.749 5.210 4.460 0.001 0.000 0.332 167 C C 0.347 175.328 174.990 -0.016 0.000 1.255 167 C CA 0.598 59.600 59.018 -0.026 0.000 1.792 167 C CB 0.428 28.155 27.740 -0.023 0.000 2.300 167 C HN 0.798 9.028 8.230 -0.000 0.000 0.515 168 G N 5.082 113.879 108.800 -0.005 0.000 2.406 168 G HA2 0.211 4.171 3.960 0.001 0.000 0.680 168 G HA3 0.211 4.171 3.960 0.001 0.000 0.680 168 G C -0.656 174.257 174.900 0.022 0.000 1.338 168 G CA 0.276 45.383 45.100 0.012 0.000 0.941 168 G HN 1.127 9.417 8.290 -0.000 0.000 0.633 169 D N -1.191 119.234 120.400 0.041 0.000 2.513 169 D HA 0.143 4.783 4.640 0.001 0.000 0.222 169 D C 0.437 176.798 176.300 0.102 0.000 1.210 169 D CA -0.154 53.883 54.000 0.062 0.000 0.825 169 D CB 0.320 41.148 40.800 0.046 0.000 1.037 169 D HN 0.465 8.835 8.370 -0.000 0.000 0.506 170 K N 0.822 121.286 120.400 0.107 0.000 2.219 170 K HA 0.258 4.578 4.320 0.001 0.000 0.280 170 K C -1.265 175.476 176.600 0.234 0.000 1.104 170 K CA -0.470 55.893 56.287 0.126 0.000 0.925 170 K CB 0.300 32.853 32.500 0.089 0.000 1.261 170 K HN 0.070 8.320 8.250 -0.000 0.000 0.445 171 F N 3.272 123.246 119.950 0.039 0.000 2.659 171 F HA 0.172 4.700 4.527 0.001 0.000 0.342 171 F C -1.130 174.697 175.800 0.044 0.000 1.168 171 F CA -1.590 56.441 58.000 0.052 0.000 1.003 171 F CB 1.065 40.097 39.000 0.054 0.000 1.267 171 F HN 0.294 8.594 8.300 -0.000 0.000 0.463 172 D N 5.843 125.978 120.400 -0.443 0.000 2.472 172 D HA 0.222 4.862 4.640 0.001 0.000 0.234 172 D C 1.287 177.154 176.300 -0.721 0.000 1.088 172 D CA -0.272 53.448 54.000 -0.466 0.000 0.882 172 D CB 0.898 41.571 40.800 -0.212 0.000 1.037 172 D HN 0.757 9.127 8.370 -0.000 0.000 0.520 173 R N 2.855 122.782 120.500 -0.954 0.000 2.113 173 R HA -0.199 4.142 4.340 0.001 0.000 0.244 173 R C 1.009 177.082 176.300 -0.379 0.000 1.142 173 R CA 1.492 57.152 56.100 -0.733 0.000 0.953 173 R CB 0.200 30.274 30.300 -0.375 0.000 0.860 173 R HN 0.390 8.660 8.270 -0.000 0.000 0.438 174 E N 0.360 120.382 120.200 -0.296 0.000 2.077 174 E HA -0.238 4.112 4.350 0.001 0.000 0.193 174 E C 1.924 178.392 176.600 -0.220 0.000 0.989 174 E CA 1.284 57.550 56.400 -0.222 0.000 0.800 174 E CB -0.296 29.304 29.700 -0.167 0.000 0.746 174 E HN 0.374 8.734 8.360 -0.000 0.000 0.452 175 Q N 0.727 120.395 119.800 -0.220 0.000 2.079 175 Q HA 0.005 4.345 4.340 0.001 0.000 0.200 175 Q C 1.990 177.835 176.000 -0.259 0.000 0.974 175 Q CA 1.807 57.491 55.803 -0.199 0.000 0.840 175 Q CB -0.459 28.192 28.738 -0.145 0.000 0.898 175 Q HN 0.204 8.475 8.270 -0.000 0.000 0.430 176 A N 0.389 123.049 122.820 -0.265 0.000 1.908 176 A HA -0.187 4.133 4.320 0.001 0.000 0.218 176 A C 2.171 179.430 177.584 -0.542 0.000 1.181 176 A CA 1.615 53.441 52.037 -0.352 0.000 0.627 176 A CB -0.852 18.140 19.000 -0.013 0.000 0.818 176 A HN 0.491 8.641 8.150 -0.000 0.000 0.445 177 I N -1.007 119.356 120.570 -0.344 0.000 2.163 177 I HA -0.272 3.898 4.170 0.001 0.000 0.243 177 I C 2.354 178.256 176.117 -0.359 0.000 1.085 177 I CA 1.567 62.684 61.300 -0.304 0.000 1.347 177 I CB -0.244 37.633 38.000 -0.204 0.000 1.044 177 I HN 0.296 8.506 8.210 -0.000 0.000 0.408 178 I N 0.582 120.949 120.570 -0.339 0.000 2.315 178 I HA -0.295 3.876 4.170 0.001 0.000 0.248 178 I C 1.892 177.735 176.117 -0.458 0.000 1.117 178 I CA 1.485 62.570 61.300 -0.359 0.000 1.404 178 I CB -0.283 37.542 38.000 -0.292 0.000 1.071 178 I HN 0.193 8.403 8.210 -0.000 0.000 0.419 179 D N 0.513 120.617 120.400 -0.493 0.000 2.144 179 D HA -0.120 4.521 4.640 0.001 0.000 0.200 179 D C 2.274 178.248 176.300 -0.545 0.000 0.978 179 D CA 1.374 55.095 54.000 -0.465 0.000 0.833 179 D CB -0.228 40.337 40.800 -0.391 0.000 0.961 179 D HN 0.358 8.728 8.370 -0.000 0.000 0.470 180 A N 0.880 123.123 122.820 -0.961 0.000 1.933 180 A HA -0.030 4.291 4.320 0.001 0.000 0.218 180 A C 2.278 179.728 177.584 -0.224 0.000 1.175 180 A CA 2.080 53.624 52.037 -0.823 0.000 0.628 180 A CB -0.643 17.795 19.000 -0.937 0.000 0.814 180 A HN 0.232 8.382 8.150 -0.000 0.000 0.444 181 A N -0.109 122.567 122.820 -0.241 0.000 1.873 181 A HA -0.131 4.190 4.320 0.001 0.000 0.215 181 A C 2.082 179.555 177.584 -0.184 0.000 1.186 181 A CA 1.692 53.600 52.037 -0.216 0.000 0.616 181 A CB -0.470 18.330 19.000 -0.334 0.000 0.823 181 A HN 0.514 8.664 8.150 -0.000 0.000 0.442 182 K N -0.539 119.716 120.400 -0.240 0.000 2.089 182 K HA -0.251 4.069 4.320 0.001 0.000 0.210 182 K C 2.150 178.729 176.600 -0.035 0.000 1.048 182 K CA 1.875 58.069 56.287 -0.155 0.000 0.926 182 K CB -0.167 32.194 32.500 -0.231 0.000 0.714 182 K HN 0.730 8.980 8.250 -0.000 0.000 0.448 183 E N 0.594 120.798 120.200 0.007 0.000 2.046 183 E HA -0.124 4.227 4.350 0.001 0.000 0.190 183 E C 1.623 178.291 176.600 0.114 0.000 0.982 183 E CA 0.879 57.341 56.400 0.103 0.000 0.800 183 E CB 0.225 30.066 29.700 0.236 0.000 0.756 183 E HN 0.231 8.591 8.360 -0.000 0.000 0.449 184 L N -0.895 120.410 121.223 0.136 0.000 2.731 184 L HA 0.308 4.648 4.340 0.001 0.000 0.240 184 L C 2.103 179.100 176.870 0.212 0.000 1.120 184 L CA 0.240 55.202 54.840 0.204 0.000 0.913 184 L CB 0.635 42.859 42.059 0.276 0.000 1.213 184 L HN 0.143 8.373 8.230 -0.000 0.000 0.515 185 G N -0.555 108.268 108.800 0.037 0.000 2.625 185 G HA2 -0.223 3.737 3.960 0.001 0.000 0.214 185 G HA3 -0.223 3.737 3.960 0.001 0.000 0.214 185 G C 0.571 175.447 174.900 -0.040 0.000 1.132 185 G CA 0.647 45.648 45.100 -0.165 0.000 0.782 185 G HN 0.232 8.522 8.290 -0.000 0.000 0.538 186 D N -0.428 119.993 120.400 0.036 0.000 2.895 186 D HA 0.108 4.748 4.640 0.001 0.000 0.350 186 D C 1.688 178.040 176.300 0.086 0.000 1.389 186 D CA 0.028 54.060 54.000 0.055 0.000 0.812 186 D CB -0.134 40.687 40.800 0.034 0.000 1.164 186 D HN 0.144 8.514 8.370 -0.000 0.000 0.455 187 S N -1.209 114.562 115.700 0.118 0.000 2.631 187 S HA 0.335 4.806 4.470 0.001 0.000 0.217 187 S C 1.702 176.378 174.600 0.127 0.000 0.958 187 S CA 0.203 58.476 58.200 0.122 0.000 0.920 187 S CB 0.198 63.483 63.200 0.143 0.000 0.776 187 S HN 0.383 8.693 8.310 -0.000 0.000 0.517 188 G N 0.713 109.593 108.800 0.134 0.000 2.136 188 G HA2 -0.117 3.843 3.960 0.001 0.000 0.242 188 G HA3 -0.117 3.843 3.960 0.001 0.000 0.242 188 G C 0.300 175.322 174.900 0.203 0.000 0.989 188 G CA -0.049 45.143 45.100 0.154 0.000 0.682 188 G HN 1.140 9.430 8.290 -0.000 0.000 0.522 189 A N -0.415 122.512 122.820 0.180 0.000 2.280 189 A HA 0.612 4.933 4.320 0.001 0.000 0.268 189 A C 1.162 178.862 177.584 0.193 0.000 1.111 189 A CA 0.600 52.739 52.037 0.171 0.000 0.814 189 A CB 0.411 19.518 19.000 0.178 0.000 1.093 189 A HN 0.182 8.332 8.150 -0.000 0.000 0.498 190 D N -0.980 119.526 120.400 0.177 0.000 2.346 190 D HA 0.183 4.823 4.640 0.001 0.000 0.206 190 D C -0.167 176.223 176.300 0.150 0.000 1.001 190 D CA 0.771 54.875 54.000 0.173 0.000 0.871 190 D CB 0.414 41.309 40.800 0.159 0.000 0.943 190 D HN 0.264 8.634 8.370 -0.000 0.000 0.518 191 L N 0.308 121.611 121.223 0.133 0.000 2.513 191 L HA 0.282 4.622 4.340 0.001 0.000 0.261 191 L C -1.883 175.076 176.870 0.148 0.000 0.945 191 L CA -0.826 54.064 54.840 0.083 0.000 0.848 191 L CB 2.996 45.037 42.059 -0.030 0.000 1.334 191 L HN -0.148 8.082 8.230 -0.000 0.000 0.407 192 Y N 4.112 124.441 120.300 0.049 0.000 2.328 192 Y HA 0.367 4.918 4.550 0.001 0.000 0.337 192 Y C -0.434 175.525 175.900 0.100 0.000 0.966 192 Y CA -0.411 57.738 58.100 0.082 0.000 1.136 192 Y CB 1.392 39.911 38.460 0.099 0.000 1.170 192 Y HN 0.401 8.681 8.280 -0.000 0.000 0.470 193 K N 6.308 126.659 120.400 -0.082 0.000 2.339 193 K HA 0.639 4.959 4.320 0.001 0.000 0.264 193 K C -2.085 174.505 176.600 -0.016 0.000 0.986 193 K CA -0.585 55.713 56.287 0.019 0.000 0.866 193 K CB 1.252 33.748 32.500 -0.007 0.000 1.103 193 K HN 0.564 8.814 8.250 -0.000 0.000 0.441 194 V N 3.353 123.371 119.914 0.175 0.000 2.914 194 V HA 0.333 4.454 4.120 0.001 0.000 0.314 194 V C -0.574 175.618 176.094 0.163 0.000 1.084 194 V CA -0.676 61.725 62.300 0.170 0.000 0.963 194 V CB 2.075 34.097 31.823 0.332 0.000 1.025 194 V HN 0.945 9.135 8.190 -0.000 0.000 0.432 198 L N 0.532 121.627 121.223 -0.214 0.000 4.179 198 L HA -0.324 4.017 4.340 0.001 0.000 0.418 198 L C -0.149 176.749 176.870 0.047 0.000 1.168 198 L CA 0.404 55.191 54.840 -0.089 0.000 0.972 198 L CB -2.262 39.797 42.059 0.001 0.000 2.005 198 L HN 0.719 8.949 8.230 -0.000 0.000 0.935 199 Y N -2.005 118.312 120.300 0.028 0.000 3.875 199 Y HA -0.214 4.337 4.550 0.001 0.000 0.216 199 Y C 1.683 177.612 175.900 0.049 0.000 1.148 199 Y CA 1.598 59.721 58.100 0.039 0.000 1.629 199 Y CB -2.200 36.274 38.460 0.023 0.000 1.506 199 Y HN 0.564 8.844 8.280 -0.000 0.000 0.629 200 G N -0.595 108.281 108.800 0.127 0.000 2.187 200 G HA2 -0.352 3.608 3.960 0.001 0.000 0.261 200 G HA3 -0.352 3.608 3.960 0.001 0.000 0.261 200 G C 0.401 175.356 174.900 0.093 0.000 1.000 200 G CA 0.677 45.840 45.100 0.104 0.000 0.718 200 G HN 0.500 8.790 8.290 -0.000 0.000 0.519 201 K N -0.376 120.090 120.400 0.109 0.000 2.168 201 K HA 0.662 4.982 4.320 0.001 0.000 0.239 201 K C 1.027 177.661 176.600 0.057 0.000 0.999 201 K CA -0.023 56.314 56.287 0.083 0.000 0.900 201 K CB 1.453 34.014 32.500 0.102 0.000 1.111 201 K HN 1.206 9.456 8.250 -0.000 0.000 0.452 202 G N 0.161 108.985 108.800 0.040 0.000 2.527 202 G HA2 -0.159 3.801 3.960 0.001 0.000 0.227 202 G HA3 -0.159 3.801 3.960 0.001 0.000 0.227 202 G C -0.887 174.024 174.900 0.019 0.000 1.291 202 G CA -0.325 44.791 45.100 0.027 0.000 0.904 202 G HN 0.778 9.068 8.290 -0.000 0.000 0.577 203 A N -0.280 122.548 122.820 0.014 0.000 2.310 203 A HA 0.750 5.071 4.320 0.001 0.000 0.299 203 A C 1.407 178.996 177.584 0.009 0.000 1.147 203 A CA 0.912 52.955 52.037 0.009 0.000 0.818 203 A CB 0.995 19.999 19.000 0.007 0.000 1.096 203 A HN 1.079 9.229 8.150 -0.000 0.000 0.495 204 R N 1.119 121.622 120.500 0.005 0.000 2.117 204 R HA -0.174 4.167 4.340 0.001 0.000 0.243 204 R C 2.113 178.416 176.300 0.005 0.000 1.143 204 R CA 2.277 58.380 56.100 0.004 0.000 0.968 204 R CB -0.182 30.117 30.300 -0.001 0.000 0.863 204 R HN 0.921 9.191 8.270 -0.000 0.000 0.444 205 S N 0.248 115.951 115.700 0.004 0.000 2.371 205 S HA -0.105 4.366 4.470 0.001 0.000 0.224 205 S C 1.469 176.072 174.600 0.005 0.000 1.029 205 S CA 1.159 59.361 58.200 0.004 0.000 0.978 205 S CB -0.220 62.982 63.200 0.002 0.000 0.833 205 S HN 0.301 8.611 8.310 -0.000 0.000 0.466 206 D N 1.714 122.116 120.400 0.005 0.000 2.144 206 D HA 0.007 4.648 4.640 0.001 0.000 0.199 206 D C 1.998 178.301 176.300 0.005 0.000 0.984 206 D CA 0.835 54.837 54.000 0.004 0.000 0.834 206 D CB -0.242 40.561 40.800 0.004 0.000 0.955 206 D HN 0.356 8.726 8.370 -0.000 0.000 0.465 207 L N 0.274 121.503 121.223 0.010 0.000 2.027 207 L HA -0.159 4.181 4.340 0.001 0.000 0.206 207 L C 2.464 179.347 176.870 0.022 0.000 1.074 207 L CA 0.470 55.319 54.840 0.016 0.000 0.745 207 L CB -0.268 41.802 42.059 0.018 0.000 0.898 207 L HN 0.082 8.312 8.230 -0.000 0.000 0.433 208 L N -0.410 120.825 121.223 0.019 0.000 2.046 208 L HA -0.195 4.146 4.340 0.001 0.000 0.208 208 L C 2.427 179.313 176.870 0.025 0.000 1.077 208 L CA 2.073 56.928 54.840 0.026 0.000 0.747 208 L CB -0.810 41.258 42.059 0.016 0.000 0.896 208 L HN 0.146 8.376 8.230 -0.000 0.000 0.432 209 T N -0.095 114.466 114.554 0.013 0.000 2.684 209 T HA -0.180 4.171 4.350 0.001 0.000 0.267 209 T C 1.891 176.592 174.700 0.002 0.000 1.036 209 T CA 1.505 63.608 62.100 0.006 0.000 1.148 209 T CB -0.565 68.303 68.868 -0.001 0.000 0.863 209 T HN 0.537 8.777 8.240 -0.000 0.000 0.436 210 A N 1.325 124.145 122.820 0.001 0.000 1.898 210 A HA -0.063 4.258 4.320 0.001 0.000 0.216 210 A C 2.604 180.186 177.584 -0.003 0.000 1.181 210 A CA 1.855 53.885 52.037 -0.012 0.000 0.620 210 A CB -0.811 18.176 19.000 -0.021 0.000 0.819 210 A HN 0.449 8.599 8.150 -0.000 0.000 0.442 211 S N -0.283 115.441 115.700 0.040 0.000 2.399 211 S HA -0.205 4.266 4.470 0.001 0.000 0.231 211 S C 2.072 176.731 174.600 0.098 0.000 1.022 211 S CA 1.543 59.808 58.200 0.109 0.000 0.983 211 S CB -0.293 63.019 63.200 0.187 0.000 0.803 211 S HN 0.689 8.999 8.310 -0.000 0.000 0.480 212 Q N 0.721 120.558 119.800 0.061 0.000 2.046 212 Q HA -0.058 4.283 4.340 0.001 0.000 0.200 212 Q C 2.448 178.435 176.000 -0.023 0.000 0.975 212 Q CA 1.069 56.894 55.803 0.038 0.000 0.836 212 Q CB -0.162 28.589 28.738 0.022 0.000 0.896 212 Q HN 0.407 8.677 8.270 -0.000 0.000 0.428 213 R N 0.706 121.188 120.500 -0.030 0.000 2.094 213 R HA -0.196 4.144 4.340 0.001 0.000 0.239 213 R C 2.266 178.533 176.300 -0.056 0.000 1.137 213 R CA 1.394 57.469 56.100 -0.042 0.000 0.943 213 R CB -0.481 29.810 30.300 -0.015 0.000 0.850 213 R HN 0.314 8.584 8.270 -0.000 0.000 0.433 214 L N 1.060 122.227 121.223 -0.093 0.000 2.012 214 L HA -0.259 4.082 4.340 0.001 0.000 0.210 214 L C 2.173 178.811 176.870 -0.386 0.000 1.073 214 L CA 2.246 56.958 54.840 -0.213 0.000 0.748 214 L CB -0.583 41.285 42.059 -0.318 0.000 0.891 214 L HN 0.388 8.618 8.230 -0.000 0.000 0.431 215 N N -0.030 118.458 118.700 -0.352 0.000 2.149 215 N HA -0.162 4.579 4.740 0.001 0.000 0.188 215 N C 1.799 177.165 175.510 -0.240 0.000 1.019 215 N CA 1.575 54.440 53.050 -0.308 0.000 0.857 215 N CB -0.379 38.205 38.487 0.162 0.000 0.997 215 N HN 0.322 8.702 8.380 -0.000 0.000 0.426 216 G N -0.762 107.890 108.800 -0.247 0.000 2.503 216 G HA2 -0.262 3.698 3.960 0.001 0.000 0.221 216 G HA3 -0.262 3.698 3.960 0.001 0.000 0.221 216 G C 0.940 175.560 174.900 -0.466 0.000 1.131 216 G CA 1.079 45.965 45.100 -0.357 0.000 0.756 216 G HN 0.553 8.843 8.290 -0.000 0.000 0.572 217 H N -0.580 118.348 119.070 -0.238 0.000 2.517 217 H HA 0.337 4.894 4.556 0.001 0.000 0.282 217 H C 0.065 175.186 175.328 -0.345 0.000 1.023 217 H CA -0.052 55.845 56.048 -0.251 0.000 1.169 217 H CB 0.533 30.144 29.762 -0.251 0.000 1.454 217 H HN 0.275 8.555 8.280 -0.000 0.000 0.556 218 I N 1.585 121.959 120.570 -0.326 0.000 2.410 218 I HA 0.107 4.277 4.170 0.001 0.000 0.286 218 I C 0.088 176.100 176.117 -0.175 0.000 1.009 218 I CA -0.629 60.427 61.300 -0.408 0.000 1.111 218 I CB 1.539 39.087 38.000 -0.753 0.000 1.262 218 I HN -0.015 8.195 8.210 -0.000 0.000 0.443 222 W N 1.304 122.584 121.300 -0.034 0.000 2.975 222 W HA 0.806 5.467 4.660 0.001 0.000 0.342 222 W C -1.516 174.969 176.519 -0.056 0.000 1.168 222 W CA -1.137 56.197 57.345 -0.018 0.000 1.141 222 W CB 0.465 29.962 29.460 0.061 0.000 1.445 222 W HN 0.412 8.592 8.180 -0.000 0.000 0.560 223 V N 0.183 120.174 119.914 0.129 0.000 3.114 223 V HA 0.745 4.865 4.120 0.001 0.000 0.308 223 V C -0.246 175.992 176.094 0.239 0.000 1.168 223 V CA -1.451 60.849 62.300 0.000 0.000 1.015 223 V CB 1.670 33.443 31.823 -0.083 0.000 1.050 223 V HN 0.710 8.900 8.190 -0.000 0.000 0.433 224 I N 1.457 122.163 120.570 0.226 0.000 2.498 224 I HA 0.806 4.977 4.170 0.001 0.000 0.301 224 I C -0.190 176.160 176.117 0.388 0.000 0.984 224 I CA -0.887 60.608 61.300 0.326 0.000 1.204 224 I CB 1.562 39.739 38.000 0.294 0.000 1.362 224 I HN 0.808 9.018 8.210 -0.000 0.000 0.471 225 L N 2.997 124.408 121.223 0.313 0.000 2.387 225 L HA 0.625 4.966 4.340 0.001 0.000 0.266 225 L C 1.092 178.064 176.870 0.169 0.000 1.059 225 L CA -0.062 54.918 54.840 0.234 0.000 0.801 225 L CB 1.359 43.492 42.059 0.124 0.000 1.223 225 L HN 0.771 9.001 8.230 -0.000 0.000 0.456 226 S N -1.454 114.135 115.700 -0.185 0.000 2.535 226 S HA 0.132 4.602 4.470 0.001 0.000 0.214 226 S C 0.932 175.371 174.600 -0.269 0.000 0.980 226 S CA 0.079 57.919 58.200 -0.600 0.000 0.907 226 S CB -0.266 62.150 63.200 -1.306 0.000 0.790 226 S HN 0.694 9.004 8.310 -0.000 0.000 0.510 227 S N 0.927 116.551 115.700 -0.127 0.000 2.509 227 S HA 0.476 4.946 4.470 0.001 0.000 0.287 227 S C 1.289 175.909 174.600 0.034 0.000 1.248 227 S CA 0.790 58.953 58.200 -0.062 0.000 1.089 227 S CB -0.271 62.915 63.200 -0.023 0.000 0.900 227 S HN 1.263 9.573 8.310 -0.000 0.000 0.496 228 G N 3.295 112.126 108.800 0.053 0.000 2.284 228 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 228 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 228 G C -0.048 174.977 174.900 0.209 0.000 1.009 228 G CA -0.080 45.144 45.100 0.207 0.000 0.625 228 G HN 0.872 9.162 8.290 -0.000 0.000 0.501 229 V N 2.761 122.748 119.914 0.121 0.000 2.465 229 V HA 0.442 4.562 4.120 0.001 0.000 0.279 229 V C 0.489 176.600 176.094 0.028 0.000 1.045 229 V CA -0.803 61.574 62.300 0.129 0.000 0.938 229 V CB 1.726 33.683 31.823 0.223 0.000 0.986 229 V HN 0.414 8.604 8.190 -0.000 0.000 0.467 230 D N 3.843 124.262 120.400 0.032 0.000 2.455 230 D HA -0.044 4.597 4.640 0.001 0.000 0.241 230 D C 1.378 177.675 176.300 -0.004 0.000 1.138 230 D CA 0.119 54.113 54.000 -0.011 0.000 0.877 230 D CB 1.152 41.949 40.800 -0.005 0.000 1.187 230 D HN 0.873 9.243 8.370 -0.000 0.000 0.451 231 E N 3.139 123.307 120.200 -0.055 0.000 2.267 231 E HA -0.240 4.111 4.350 0.001 0.000 0.197 231 E C 0.986 177.593 176.600 0.013 0.000 0.998 231 E CA 1.103 57.471 56.400 -0.053 0.000 0.830 231 E CB -0.004 29.638 29.700 -0.096 0.000 0.751 231 E HN 0.441 8.801 8.360 -0.000 0.000 0.491 232 K N 0.334 120.739 120.400 0.008 0.000 2.243 232 K HA 0.086 4.406 4.320 0.001 0.000 0.201 232 K C 1.907 178.524 176.600 0.028 0.000 1.051 232 K CA 0.647 56.940 56.287 0.010 0.000 0.970 232 K CB 0.151 32.650 32.500 -0.003 0.000 0.755 232 K HN 0.190 8.440 8.250 -0.000 0.000 0.465 233 L N -0.013 121.241 121.223 0.051 0.000 2.592 233 L HA 0.057 4.398 4.340 0.001 0.000 0.227 233 L C 1.698 178.626 176.870 0.096 0.000 1.127 233 L CA -0.094 54.781 54.840 0.059 0.000 0.884 233 L CB -0.056 42.040 42.059 0.062 0.000 1.065 233 L HN 0.055 8.285 8.230 -0.000 0.000 0.457 234 F N 2.131 122.045 119.950 -0.060 0.000 2.163 234 F HA 0.005 4.533 4.527 0.001 0.000 0.297 234 F C -0.524 175.216 175.800 -0.099 0.000 1.094 234 F CA 0.620 58.571 58.000 -0.081 0.000 1.290 234 F CB -1.123 37.804 39.000 -0.123 0.000 1.017 234 F HN 0.035 8.335 8.300 -0.000 0.000 0.483 235 P HA -0.222 4.198 4.420 -0.000 0.000 0.216 235 P C 1.540 178.721 177.300 -0.198 0.000 1.153 235 P CA 1.985 64.969 63.100 -0.194 0.000 0.858 235 P CB -0.214 31.434 31.700 -0.087 0.000 0.789 236 R N -0.227 120.198 120.500 -0.124 0.000 2.075 236 R HA -0.081 4.260 4.340 0.001 0.000 0.232 236 R C 2.117 178.342 176.300 -0.126 0.000 1.126 236 R CA 1.531 57.573 56.100 -0.096 0.000 0.963 236 R CB -0.862 29.410 30.300 -0.047 0.000 0.858 236 R HN 0.047 8.317 8.270 -0.000 0.000 0.435 237 A N 0.413 123.138 122.820 -0.159 0.000 1.917 237 A HA -0.143 4.177 4.320 0.001 0.000 0.219 237 A C 2.249 179.692 177.584 -0.235 0.000 1.182 237 A CA 1.821 53.764 52.037 -0.156 0.000 0.633 237 A CB -0.651 18.277 19.000 -0.120 0.000 0.819 237 A HN 0.241 8.391 8.150 -0.000 0.000 0.448 238 V N 0.190 119.851 119.914 -0.423 0.000 2.343 238 V HA -0.284 3.837 4.120 0.001 0.000 0.247 238 V C 2.638 178.622 176.094 -0.184 0.000 1.051 238 V CA 2.239 64.332 62.300 -0.345 0.000 1.036 238 V CB -0.879 30.691 31.823 -0.423 0.000 0.654 238 V HN 0.565 8.755 8.190 -0.000 0.000 0.451 239 R N -0.310 120.099 120.500 -0.152 0.000 2.073 239 R HA -0.106 4.234 4.340 0.001 0.000 0.234 239 R C 2.245 178.502 176.300 -0.070 0.000 1.134 239 R CA 1.455 57.501 56.100 -0.091 0.000 0.952 239 R CB -0.730 29.528 30.300 -0.070 0.000 0.850 239 R HN 0.402 8.672 8.270 -0.000 0.000 0.433 240 V N 1.844 121.721 119.914 -0.062 0.000 2.307 240 V HA -0.138 3.983 4.120 0.001 0.000 0.245 240 V C 1.658 177.745 176.094 -0.012 0.000 1.045 240 V CA 1.335 63.620 62.300 -0.025 0.000 1.024 240 V CB -0.777 31.041 31.823 -0.008 0.000 0.651 240 V HN 0.394 8.584 8.190 -0.000 0.000 0.449 244 A N 0.261 123.105 122.820 0.040 0.000 2.308 244 A HA 0.544 4.864 4.320 0.001 0.000 0.217 244 A C 1.477 179.176 177.584 0.192 0.000 1.216 244 A CA 1.254 53.364 52.037 0.121 0.000 0.864 244 A CB 0.416 19.530 19.000 0.190 0.000 0.902 244 A HN 0.502 8.652 8.150 -0.000 0.000 0.499 245 G N -2.097 106.757 108.800 0.090 0.000 2.367 245 G HA2 0.228 4.189 3.960 0.001 0.000 0.181 245 G HA3 0.228 4.189 3.960 0.001 0.000 0.181 245 G C 0.464 175.232 174.900 -0.220 0.000 1.000 245 G CA -0.015 45.151 45.100 0.110 0.000 0.693 245 G HN 1.319 9.609 8.290 -0.000 0.000 0.480 246 A N 0.504 122.849 122.820 -0.791 0.000 2.425 246 A HA 0.692 5.013 4.320 0.001 0.000 0.242 246 A C 1.236 178.454 177.584 -0.609 0.000 1.077 246 A CA 1.165 52.281 52.037 -1.536 0.000 0.781 246 A CB 0.607 18.553 19.000 -1.757 0.000 1.020 246 A HN 0.829 8.979 8.150 -0.000 0.000 0.494 247 S N -0.011 115.438 115.700 -0.417 0.000 2.554 247 S HA 0.501 4.972 4.470 0.001 0.000 0.226 247 S C 0.694 175.364 174.600 0.117 0.000 0.980 247 S CA 0.426 58.605 58.200 -0.035 0.000 0.939 247 S CB -0.033 63.295 63.200 0.213 0.000 0.832 247 S HN 1.666 9.976 8.310 -0.000 0.000 0.486 248 G N 1.544 110.333 108.800 -0.019 0.000 2.398 248 G HA2 0.363 4.323 3.960 0.001 0.000 0.251 248 G HA3 0.363 4.323 3.960 0.001 0.000 0.251 248 G C -1.819 173.143 174.900 0.103 0.000 1.277 248 G CA -0.557 44.591 45.100 0.079 0.000 0.927 248 G HN 0.407 8.697 8.290 -0.000 0.000 0.477 249 F N -1.522 118.485 119.950 0.094 0.000 2.626 249 F HA 0.896 5.423 4.527 0.001 0.000 0.311 249 F C -1.362 174.545 175.800 0.178 0.000 1.088 249 F CA -1.629 56.457 58.000 0.143 0.000 0.949 249 F CB 2.180 41.310 39.000 0.217 0.000 1.322 249 F HN 0.744 9.044 8.300 -0.000 0.000 0.461 250 L N 2.953 124.387 121.223 0.350 0.000 2.485 250 L HA 0.871 5.211 4.340 0.001 0.000 0.260 250 L C -1.285 175.800 176.870 0.358 0.000 0.998 250 L CA -0.882 54.115 54.840 0.261 0.000 0.883 250 L CB 0.495 42.632 42.059 0.129 0.000 1.196 250 L HN 1.093 9.323 8.230 -0.000 0.000 0.443 251 A N 2.156 125.261 122.820 0.476 0.000 2.380 251 A HA 0.916 5.237 4.320 0.001 0.000 0.315 251 A C 0.250 177.894 177.584 0.101 0.000 1.101 251 A CA 0.150 52.303 52.037 0.194 0.000 0.771 251 A CB 1.702 20.753 19.000 0.086 0.000 1.287 251 A HN 0.826 8.976 8.150 -0.000 0.000 0.436 252 G N -0.085 108.633 108.800 -0.136 0.000 2.529 252 G HA2 0.126 4.086 3.960 0.001 0.000 0.193 252 G HA3 0.126 4.086 3.960 0.001 0.000 0.193 252 G C 1.142 175.342 174.900 -1.167 0.000 1.230 252 G CA 0.151 45.080 45.100 -0.286 0.000 0.668 252 G HN 0.630 8.920 8.290 -0.000 0.000 0.665 253 R N 0.934 120.829 120.500 -1.009 0.000 2.096 253 R HA -0.038 4.302 4.340 0.001 0.000 0.240 253 R C 2.801 178.662 176.300 -0.732 0.000 1.139 253 R CA 1.658 57.145 56.100 -1.021 0.000 0.952 253 R CB -0.402 29.568 30.300 -0.550 0.000 0.854 253 R HN 0.339 8.609 8.270 -0.000 0.000 0.436 254 A N 0.337 122.793 122.820 -0.606 0.000 2.125 254 A HA -0.082 4.239 4.320 0.001 0.000 0.219 254 A C 2.198 179.576 177.584 -0.343 0.000 1.156 254 A CA 1.186 52.949 52.037 -0.458 0.000 0.671 254 A CB -0.193 18.442 19.000 -0.608 0.000 0.794 254 A HN 0.134 8.284 8.150 -0.000 0.000 0.459 255 V N -1.300 118.375 119.914 -0.398 0.000 2.374 255 V HA -0.102 4.019 4.120 0.001 0.000 0.241 255 V C 2.055 178.098 176.094 -0.086 0.000 1.034 255 V CA 1.541 63.730 62.300 -0.186 0.000 1.037 255 V CB -0.657 31.145 31.823 -0.034 0.000 0.682 255 V HN 0.979 9.169 8.190 -0.000 0.000 0.463 256 W N -0.815 120.510 121.300 0.041 0.000 2.714 256 W HA 0.288 4.949 4.660 0.001 0.000 0.353 256 W C 1.922 178.507 176.519 0.110 0.000 0.999 256 W CA 0.656 58.069 57.345 0.113 0.000 1.629 256 W CB -0.806 28.774 29.460 0.201 0.000 1.106 256 W HN 0.328 8.508 8.180 -0.000 0.000 0.545 257 S N 1.662 117.302 115.700 -0.100 0.000 2.423 257 S HA -0.225 4.245 4.470 0.001 0.000 0.231 257 S C 1.974 176.571 174.600 -0.005 0.000 1.014 257 S CA 1.684 59.873 58.200 -0.019 0.000 0.965 257 S CB -0.840 62.198 63.200 -0.271 0.000 0.785 257 S HN 0.242 8.552 8.310 -0.000 0.000 0.495 258 S N 0.942 116.633 115.700 -0.016 0.000 2.423 258 S HA 0.045 4.516 4.470 0.001 0.000 0.231 258 S C 1.663 176.267 174.600 0.007 0.000 1.014 258 S CA 0.836 59.023 58.200 -0.022 0.000 0.965 258 S CB -0.726 62.458 63.200 -0.026 0.000 0.785 258 S HN 0.371 8.681 8.310 -0.000 0.000 0.495 259 V N 1.443 121.405 119.914 0.081 0.000 3.129 259 V HA 0.255 4.376 4.120 0.001 0.000 0.259 259 V C 1.004 177.124 176.094 0.043 0.000 1.116 259 V CA 0.319 62.685 62.300 0.110 0.000 1.127 259 V CB -0.665 31.288 31.823 0.216 0.000 0.742 259 V HN 0.497 8.687 8.190 -0.000 0.000 0.474 260 I N 1.261 121.765 120.570 -0.109 0.000 2.668 260 I HA 0.261 4.432 4.170 0.001 0.000 0.285 260 I C 1.470 177.387 176.117 -0.334 0.000 1.168 260 I CA 1.361 62.376 61.300 -0.475 0.000 1.424 260 I CB 0.251 37.756 38.000 -0.825 0.000 1.377 260 I HN 0.385 8.595 8.210 -0.000 0.000 0.560 261 G N 5.231 113.869 108.800 -0.270 0.000 2.194 261 G HA2 -0.213 3.748 3.960 0.001 0.000 0.236 261 G HA3 -0.213 3.748 3.960 0.001 0.000 0.236 261 G C 0.082 174.970 174.900 -0.019 0.000 0.987 261 G CA -0.515 44.521 45.100 -0.106 0.000 0.635 261 G HN 0.447 8.737 8.290 -0.000 0.000 0.520 262 L N 2.180 123.404 121.223 0.000 0.000 2.399 262 L HA 0.503 4.843 4.340 0.001 0.000 0.265 262 L C -1.098 175.803 176.870 0.052 0.000 1.089 262 L CA -2.061 52.794 54.840 0.026 0.000 0.802 262 L CB 0.685 42.762 42.059 0.029 0.000 1.180 262 L HN 0.006 8.236 8.230 -0.000 0.000 0.454 263 P HA 0.064 4.484 4.420 -0.000 0.000 0.270 263 P C -0.979 176.355 177.300 0.057 0.000 1.223 263 P CA -0.110 63.019 63.100 0.049 0.000 0.785 263 P CB 0.409 32.130 31.700 0.035 0.000 0.923 264 D N -0.509 119.926 120.400 0.058 0.000 2.760 264 D HA -0.121 4.519 4.640 0.001 0.000 0.244 264 D C 0.827 177.168 176.300 0.069 0.000 1.123 264 D CA 1.274 55.307 54.000 0.055 0.000 0.719 264 D CB -2.032 38.793 40.800 0.041 0.000 1.045 264 D HN 0.310 8.680 8.370 -0.000 0.000 0.426 265 T N -0.568 114.043 114.554 0.094 0.000 2.665 265 T HA -0.256 4.095 4.350 0.001 0.000 0.268 265 T C 1.761 176.501 174.700 0.067 0.000 1.035 265 T CA 1.708 63.883 62.100 0.124 0.000 1.151 265 T CB -0.059 68.924 68.868 0.191 0.000 0.862 265 T HN 0.479 8.719 8.240 -0.000 0.000 0.438 266 E N 0.371 120.595 120.200 0.040 0.000 2.077 266 E HA -0.012 4.339 4.350 0.001 0.000 0.193 266 E C 1.048 177.663 176.600 0.025 0.000 0.989 266 E CA 0.379 56.788 56.400 0.015 0.000 0.800 266 E CB -0.175 29.532 29.700 0.011 0.000 0.746 266 E HN 0.422 8.782 8.360 -0.000 0.000 0.452 270 R N 1.175 121.697 120.500 0.037 0.000 2.093 270 R HA 0.006 4.346 4.340 0.001 0.000 0.224 270 R C 1.275 177.589 176.300 0.023 0.000 1.101 270 R CA 1.983 58.108 56.100 0.042 0.000 0.979 270 R CB -0.089 30.241 30.300 0.049 0.000 0.877 270 R HN 0.242 8.512 8.270 -0.000 0.000 0.441 271 D N -1.248 119.165 120.400 0.022 0.000 2.366 271 D HA 0.074 4.714 4.640 0.001 0.000 0.205 271 D C 1.096 177.398 176.300 0.004 0.000 1.022 271 D CA 0.591 54.598 54.000 0.013 0.000 0.868 271 D CB 0.809 41.620 40.800 0.019 0.000 0.953 271 D HN 0.101 8.471 8.370 -0.000 0.000 0.514 272 V N -0.504 119.416 119.914 0.011 0.000 3.029 272 V HA -0.001 4.120 4.120 0.001 0.000 0.230 272 V C 2.122 178.219 176.094 0.006 0.000 1.254 272 V CA 0.437 62.743 62.300 0.011 0.000 1.276 272 V CB 0.088 31.928 31.823 0.029 0.000 1.080 272 V HN -0.015 8.175 8.190 -0.000 0.000 0.495 273 S N 1.308 117.027 115.700 0.032 0.000 2.371 273 S HA -0.022 4.448 4.470 0.001 0.000 0.224 273 S C 2.158 176.744 174.600 -0.023 0.000 1.029 273 S CA 1.365 59.590 58.200 0.043 0.000 0.978 273 S CB -0.351 62.928 63.200 0.131 0.000 0.833 273 S HN 0.589 8.899 8.310 -0.000 0.000 0.466 274 A N 2.486 125.264 122.820 -0.069 0.000 1.877 274 A HA 0.018 4.339 4.320 0.001 0.000 0.216 274 A C -0.153 177.225 177.584 -0.344 0.000 1.186 274 A CA 1.282 53.169 52.037 -0.250 0.000 0.620 274 A CB -1.817 17.039 19.000 -0.240 0.000 0.822 274 A HN 0.379 8.529 8.150 -0.000 0.000 0.443 275 P HA -0.141 4.279 4.420 -0.000 0.000 0.218 275 P C 1.166 178.396 177.300 -0.117 0.000 1.148 275 P CA 1.347 64.356 63.100 -0.152 0.000 0.822 275 P CB -0.036 31.617 31.700 -0.079 0.000 0.784 276 K N -0.587 119.758 120.400 -0.092 0.000 2.025 276 K HA -0.065 4.256 4.320 0.001 0.000 0.207 276 K C 2.112 178.672 176.600 -0.066 0.000 1.049 276 K CA 0.983 57.230 56.287 -0.066 0.000 0.933 276 K CB -0.917 31.552 32.500 -0.052 0.000 0.714 276 K HN 0.160 8.410 8.250 -0.000 0.000 0.438 277 L N 1.512 122.697 121.223 -0.063 0.000 2.046 277 L HA -0.263 4.078 4.340 0.001 0.000 0.208 277 L C 2.797 179.686 176.870 0.030 0.000 1.077 277 L CA 1.397 56.247 54.840 0.017 0.000 0.747 277 L CB -0.246 41.856 42.059 0.072 0.000 0.896 277 L HN 0.332 8.562 8.230 -0.000 0.000 0.432 278 Q N -0.274 119.453 119.800 -0.122 0.000 2.077 278 Q HA -0.323 4.018 4.340 0.001 0.000 0.206 278 Q C 2.252 178.268 176.000 0.026 0.000 0.989 278 Q CA 2.046 57.817 55.803 -0.052 0.000 0.853 278 Q CB -0.088 28.538 28.738 -0.186 0.000 0.907 278 Q HN 0.225 8.495 8.270 -0.000 0.000 0.418 279 R N 0.363 120.854 120.500 -0.015 0.000 2.081 279 R HA -0.065 4.276 4.340 0.001 0.000 0.235 279 R C 2.100 178.406 176.300 0.010 0.000 1.131 279 R CA 1.453 57.550 56.100 -0.005 0.000 0.960 279 R CB -0.633 29.650 30.300 -0.029 0.000 0.856 279 R HN 0.407 8.677 8.270 -0.000 0.000 0.436 280 L N -1.028 120.194 121.223 -0.001 0.000 2.093 280 L HA -0.008 4.333 4.340 0.001 0.000 0.208 280 L C 2.310 179.299 176.870 0.199 0.000 1.085 280 L CA 1.430 56.253 54.840 -0.029 0.000 0.755 280 L CB -0.761 41.099 42.059 -0.332 0.000 0.904 280 L HN 0.447 8.677 8.230 -0.000 0.000 0.435 281 G N -0.617 108.342 108.800 0.265 0.000 2.408 281 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 281 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 281 G C 1.411 176.399 174.900 0.146 0.000 1.150 281 G CA 0.373 45.628 45.100 0.257 0.000 0.776 281 G HN 0.361 8.651 8.290 -0.000 0.000 0.542 282 E N -0.078 120.185 120.200 0.105 0.000 2.077 282 E HA -0.073 4.278 4.350 0.001 0.000 0.193 282 E C 2.431 179.060 176.600 0.049 0.000 0.989 282 E CA 0.641 57.080 56.400 0.065 0.000 0.800 282 E CB -0.138 29.589 29.700 0.045 0.000 0.746 282 E HN 0.477 8.837 8.360 -0.000 0.000 0.452 283 I N 0.566 121.164 120.570 0.046 0.000 2.252 283 I HA -0.234 3.937 4.170 0.001 0.000 0.245 283 I C 2.594 178.732 176.117 0.035 0.000 1.102 283 I CA 0.843 62.156 61.300 0.021 0.000 1.385 283 I CB -0.275 37.717 38.000 -0.013 0.000 1.064 283 I HN 0.124 8.334 8.210 -0.000 0.000 0.414 284 V N -0.906 119.058 119.914 0.083 0.000 2.358 284 V HA -0.240 3.880 4.120 0.001 0.000 0.246 284 V C 1.989 178.102 176.094 0.032 0.000 1.047 284 V CA 2.026 64.368 62.300 0.071 0.000 1.035 284 V CB -0.667 31.227 31.823 0.118 0.000 0.658 284 V HN 0.269 8.459 8.190 -0.000 0.000 0.452 285 D N 0.551 120.971 120.400 0.035 0.000 2.133 285 D HA -0.136 4.505 4.640 0.001 0.000 0.195 285 D C 1.422 177.727 176.300 0.008 0.000 0.997 285 D CA 1.641 55.651 54.000 0.015 0.000 0.840 285 D CB -0.205 40.608 40.800 0.022 0.000 0.947 285 D HN 0.854 9.224 8.370 -0.000 0.000 0.452 290 K N 0.666 121.061 120.400 -0.008 0.000 2.362 290 K HA 0.120 4.441 4.320 0.001 0.000 0.200 290 K C 1.406 178.002 176.600 -0.007 0.000 1.046 290 K CA 0.294 56.577 56.287 -0.007 0.000 0.952 290 K CB 0.071 32.566 32.500 -0.009 0.000 0.753 290 K HN 0.230 8.480 8.250 -0.000 0.000 0.466 291 R N 0.000 120.496 120.500 -0.007 0.000 2.786 291 R HA 0.000 4.341 4.340 0.001 0.000 0.208 291 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 291 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 291 R HN 0.000 8.270 8.270 -0.000 0.000 0.535