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 1z2o_1_X DATA FIRST_RESID 5 DATA SEQUENCE QTVSLFIWLP ESKQKTLFIS TKNHTQFELN NIIFDVTLST ELPDKEPNAI DATA SEQUENCE ITKRTHPVGK MADEMRKYEK DHPKVLFLES SAIHDMMSSR EEINALLIKN DATA SEQUENCE NIPIPNSFSV KSKEEVIQLL QSKQLILPFI VKPENAQGTF NAHQMKIVLE DATA SEQUENCE QEGIDDIHFP CLCQHYINHN NKIVKVFCIG NTLKWQTRTS LPNVHRCGIK DATA SEQUENCE SVDFNNQHLE DILSWPEGVI DKQDIIENSA NRFGSKILED PILLNLTSEA DATA SEQUENCE EMRDLAYKVR CALGVQLCGI DFIKENEQGN PLVVDVNVFP SYGGKVDFDW DATA SEQUENCE FVEKVALCYT E 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 5 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 5 Q C 0.000 175.891 176.000 -0.181 0.000 1.003 5 Q CA 0.000 55.738 55.803 -0.109 0.000 1.022 5 Q CB 0.000 28.680 28.738 -0.096 0.000 1.108 6 T N 0.539 114.984 114.554 -0.181 0.000 2.841 6 T HA 0.755 5.125 4.350 0.033 0.000 0.283 6 T C -0.522 174.010 174.700 -0.281 0.000 1.000 6 T CA -0.552 61.401 62.100 -0.245 0.000 0.977 6 T CB 1.634 70.407 68.868 -0.157 0.000 0.979 6 T HN 0.270 8.510 8.240 -0.000 0.000 0.446 7 V N 2.904 122.558 119.914 -0.435 0.000 2.588 7 V HA 0.591 4.730 4.120 0.033 0.000 0.304 7 V C -0.129 175.797 176.094 -0.279 0.000 1.042 7 V CA -1.000 61.063 62.300 -0.395 0.000 0.877 7 V CB 2.174 33.633 31.823 -0.606 0.000 0.996 7 V HN 1.059 9.249 8.190 -0.000 0.000 0.425 8 S N 5.786 121.379 115.700 -0.178 0.000 2.442 8 S HA 0.811 5.301 4.470 0.033 0.000 0.297 8 S C -0.837 173.712 174.600 -0.086 0.000 1.131 8 S CA -0.679 57.468 58.200 -0.089 0.000 1.092 8 S CB 0.881 64.067 63.200 -0.024 0.000 0.998 8 S HN 0.519 8.829 8.310 -0.000 0.000 0.478 9 L N 3.494 124.691 121.223 -0.042 0.000 2.322 9 L HA 0.601 4.961 4.340 0.033 0.000 0.281 9 L C -1.007 175.914 176.870 0.085 0.000 1.014 9 L CA -0.743 54.085 54.840 -0.020 0.000 0.815 9 L CB 1.392 43.414 42.059 -0.061 0.000 1.247 9 L HN 0.742 8.972 8.230 -0.000 0.000 0.421 10 F N 4.441 124.363 119.950 -0.047 0.000 2.427 10 F HA 0.547 5.093 4.527 0.032 0.000 0.348 10 F C -0.255 175.581 175.800 0.060 0.000 1.125 10 F CA -0.509 57.486 58.000 -0.008 0.000 0.989 10 F CB 1.038 39.993 39.000 -0.075 0.000 1.165 10 F HN 0.241 8.541 8.300 -0.000 0.000 0.442 11 I N 5.886 126.365 120.570 -0.152 0.000 2.301 11 I HA 0.075 4.265 4.170 0.033 0.000 0.292 11 I C -1.201 174.952 176.117 0.062 0.000 1.046 11 I CA -0.406 60.943 61.300 0.081 0.000 1.282 11 I CB 0.528 38.642 38.000 0.190 0.000 1.409 11 I HN 0.624 8.834 8.210 -0.000 0.000 0.484 12 W N 9.676 131.017 121.300 0.069 0.000 2.282 12 W HA 0.655 5.335 4.660 0.033 0.000 0.322 12 W C -1.772 174.797 176.519 0.083 0.000 1.011 12 W CA -0.965 56.448 57.345 0.113 0.000 1.392 12 W CB 0.476 30.073 29.460 0.228 0.000 1.215 12 W HN 0.277 8.457 8.180 -0.000 0.000 0.394 13 L N 8.964 130.184 121.223 -0.005 0.000 2.455 13 L HA 0.488 4.848 4.340 0.033 0.000 0.264 13 L C -1.943 174.854 176.870 -0.122 0.000 0.968 13 L CA -2.228 52.511 54.840 -0.168 0.000 0.827 13 L CB 2.900 44.916 42.059 -0.073 0.000 1.317 13 L HN 0.168 8.398 8.230 -0.000 0.000 0.407 14 P HA 0.092 4.512 4.420 -0.000 0.000 0.272 14 P C 0.077 177.343 177.300 -0.057 0.000 1.230 14 P CA -0.172 62.870 63.100 -0.097 0.000 0.788 14 P CB 1.024 32.646 31.700 -0.129 0.000 0.949 15 E N 0.708 120.898 120.200 -0.016 0.000 2.130 15 E HA -0.207 4.163 4.350 0.033 0.000 0.196 15 E C 2.017 178.602 176.600 -0.025 0.000 0.998 15 E CA 2.111 58.508 56.400 -0.005 0.000 0.806 15 E CB -0.263 29.441 29.700 0.007 0.000 0.738 15 E HN 0.571 8.931 8.360 -0.000 0.000 0.459 16 S N 1.245 116.920 115.700 -0.042 0.000 2.370 16 S HA -0.244 4.246 4.470 0.033 0.000 0.226 16 S C 1.945 176.491 174.600 -0.091 0.000 1.033 16 S CA 1.611 59.779 58.200 -0.053 0.000 1.011 16 S CB -0.174 62.996 63.200 -0.049 0.000 0.852 16 S HN 0.026 8.336 8.310 -0.000 0.000 0.457 17 K N 1.290 121.609 120.400 -0.136 0.000 2.116 17 K HA 0.099 4.439 4.320 0.033 0.000 0.203 17 K C 2.402 178.878 176.600 -0.207 0.000 1.052 17 K CA 1.240 57.402 56.287 -0.209 0.000 0.952 17 K CB -0.517 31.805 32.500 -0.297 0.000 0.729 17 K HN 0.563 8.813 8.250 -0.000 0.000 0.446 18 Q N 0.253 119.994 119.800 -0.097 0.000 2.096 18 Q HA -0.178 4.182 4.340 0.033 0.000 0.204 18 Q C 1.918 177.940 176.000 0.037 0.000 0.982 18 Q CA 1.861 57.692 55.803 0.047 0.000 0.850 18 Q CB -0.099 28.722 28.738 0.140 0.000 0.901 18 Q HN 0.285 8.555 8.270 -0.000 0.000 0.422 19 K N -0.177 120.217 120.400 -0.009 0.000 2.062 19 K HA -0.095 4.245 4.320 0.033 0.000 0.205 19 K C 2.356 178.931 176.600 -0.042 0.000 1.051 19 K CA 1.702 57.986 56.287 -0.004 0.000 0.941 19 K CB -0.106 32.388 32.500 -0.010 0.000 0.719 19 K HN 0.329 8.579 8.250 -0.000 0.000 0.440 20 T N -0.127 114.373 114.554 -0.091 0.000 2.904 20 T HA -0.077 4.293 4.350 0.033 0.000 0.267 20 T C 1.830 176.431 174.700 -0.165 0.000 1.059 20 T CA 0.653 62.688 62.100 -0.109 0.000 1.137 20 T CB -0.133 68.669 68.868 -0.111 0.000 0.879 20 T HN 0.028 8.268 8.240 -0.000 0.000 0.467 21 L N -0.377 120.669 121.223 -0.294 0.000 2.095 21 L HA 0.444 4.804 4.340 0.033 0.000 0.204 21 L C 0.053 176.644 176.870 -0.465 0.000 1.080 21 L CA 0.886 55.421 54.840 -0.510 0.000 0.759 21 L CB -0.260 41.236 42.059 -0.938 0.000 0.914 21 L HN 0.298 8.528 8.230 -0.000 0.000 0.439 22 F N -1.228 118.703 119.950 -0.032 0.000 2.480 22 F HA 0.296 4.843 4.527 0.034 0.000 0.329 22 F C 1.345 177.150 175.800 0.009 0.000 1.091 22 F CA -0.826 57.184 58.000 0.018 0.000 0.972 22 F CB 1.083 40.134 39.000 0.085 0.000 1.150 22 F HN -0.188 8.112 8.300 -0.000 0.000 0.467 23 I N 0.825 121.535 120.570 0.234 0.000 2.127 23 I HA -0.206 3.984 4.170 0.033 0.000 0.241 23 I C 0.869 177.043 176.117 0.094 0.000 1.075 23 I CA 1.273 62.643 61.300 0.117 0.000 1.334 23 I CB -0.315 37.738 38.000 0.087 0.000 1.040 23 I HN 0.624 8.834 8.210 -0.000 0.000 0.405 24 S N -1.006 114.755 115.700 0.101 0.000 2.638 24 S HA 0.659 5.149 4.470 0.033 0.000 0.274 24 S C -0.406 174.110 174.600 -0.141 0.000 1.157 24 S CA -0.582 57.613 58.200 -0.009 0.000 0.826 24 S CB 2.007 65.182 63.200 -0.041 0.000 1.139 24 S HN 0.234 8.544 8.310 -0.000 0.000 0.474 25 T N -1.281 113.075 114.554 -0.331 0.000 2.901 25 T HA 0.767 5.137 4.350 0.033 0.000 0.293 25 T C -1.386 172.812 174.700 -0.837 0.000 1.084 25 T CA -0.976 60.639 62.100 -0.809 0.000 1.008 25 T CB 1.544 70.099 68.868 -0.521 0.000 1.170 25 T HN 0.745 8.985 8.240 -0.000 0.000 0.509 26 K N 1.093 120.701 120.400 -1.319 0.000 2.378 26 K HA 0.426 4.766 4.320 0.033 0.000 0.252 26 K C 0.226 176.555 176.600 -0.451 0.000 0.931 26 K CA -0.904 54.983 56.287 -0.666 0.000 0.794 26 K CB 1.702 33.924 32.500 -0.463 0.000 1.181 26 K HN 0.468 8.718 8.250 -0.000 0.000 0.425 27 N N 0.652 119.232 118.700 -0.200 0.000 2.244 27 N HA -0.122 4.637 4.740 0.033 0.000 0.183 27 N C -0.292 175.240 175.510 0.036 0.000 1.016 27 N CA 1.162 54.165 53.050 -0.078 0.000 0.866 27 N CB 0.086 38.555 38.487 -0.030 0.000 0.980 27 N HN 0.437 8.817 8.380 -0.000 0.000 0.430 28 H N -1.247 117.796 119.070 -0.045 0.000 2.954 28 H HA 0.392 4.968 4.556 0.033 0.000 0.361 28 H C -1.490 173.872 175.328 0.057 0.000 1.122 28 H CA -0.293 55.766 56.048 0.017 0.000 1.217 28 H CB 1.816 31.586 29.762 0.013 0.000 1.776 28 H HN -0.046 8.234 8.280 -0.000 0.000 0.533 29 T N 3.300 117.632 114.554 -0.369 0.000 2.923 29 T HA 0.292 4.662 4.350 0.033 0.000 0.311 29 T C -1.628 172.952 174.700 -0.201 0.000 1.183 29 T CA -0.598 61.442 62.100 -0.100 0.000 1.020 29 T CB 1.968 70.936 68.868 0.166 0.000 1.165 29 T HN 0.679 8.919 8.240 -0.000 0.000 0.482 30 Q N 2.978 122.786 119.800 0.012 0.000 2.347 30 Q HA 0.705 5.065 4.340 0.033 0.000 0.271 30 Q C -1.687 174.401 176.000 0.147 0.000 1.064 30 Q CA -0.845 54.948 55.803 -0.016 0.000 0.800 30 Q CB 1.431 30.189 28.738 0.034 0.000 1.304 30 Q HN 0.679 8.949 8.270 -0.000 0.000 0.438 31 F N -0.515 119.465 119.950 0.052 0.000 2.686 31 F HA 0.578 5.124 4.527 0.033 0.000 0.311 31 F C -1.175 174.697 175.800 0.119 0.000 1.128 31 F CA -1.082 56.956 58.000 0.063 0.000 0.946 31 F CB 1.301 40.318 39.000 0.028 0.000 1.336 31 F HN 0.341 8.641 8.300 -0.000 0.000 0.457 32 E N 1.500 121.886 120.200 0.310 0.000 2.191 32 E HA 0.624 4.994 4.350 0.033 0.000 0.278 32 E C -1.820 174.997 176.600 0.361 0.000 0.972 32 E CA -1.009 55.534 56.400 0.238 0.000 0.804 32 E CB 2.479 32.256 29.700 0.128 0.000 1.110 32 E HN 0.623 8.983 8.360 -0.000 0.000 0.394 33 L N 3.924 125.379 121.223 0.388 0.000 2.476 33 L HA 0.343 4.703 4.340 0.033 0.000 0.269 33 L C -1.214 175.822 176.870 0.276 0.000 0.965 33 L CA -0.398 54.641 54.840 0.332 0.000 0.845 33 L CB 1.393 43.666 42.059 0.357 0.000 1.259 33 L HN 0.458 8.688 8.230 -0.000 0.000 0.403 34 N N 3.780 122.578 118.700 0.163 0.000 2.714 34 N HA -0.267 4.493 4.740 0.033 0.000 0.252 34 N C 0.418 175.985 175.510 0.095 0.000 1.014 34 N CA 1.309 54.430 53.050 0.118 0.000 0.735 34 N CB -1.276 37.283 38.487 0.119 0.000 0.924 34 N HN 0.864 9.244 8.380 -0.000 0.000 0.540 35 N N -1.657 117.088 118.700 0.074 0.000 2.800 35 N HA -0.200 4.560 4.740 0.033 0.000 0.250 35 N C -1.111 174.395 175.510 -0.007 0.000 1.078 35 N CA 1.414 54.483 53.050 0.033 0.000 0.804 35 N CB -0.914 37.587 38.487 0.023 0.000 1.135 35 N HN 0.682 9.062 8.380 -0.000 0.000 0.565 36 I N 0.880 121.442 120.570 -0.013 0.000 2.465 36 I HA 0.384 4.574 4.170 0.033 0.000 0.291 36 I C 0.301 176.256 176.117 -0.270 0.000 1.014 36 I CA -0.900 60.281 61.300 -0.198 0.000 1.093 36 I CB 1.527 39.322 38.000 -0.343 0.000 1.267 36 I HN -0.052 8.158 8.210 -0.000 0.000 0.431 37 I N 5.813 126.185 120.570 -0.331 0.000 2.352 37 I HA 0.202 4.392 4.170 0.033 0.000 0.290 37 I C -0.745 175.047 176.117 -0.542 0.000 1.036 37 I CA 0.004 61.127 61.300 -0.295 0.000 1.336 37 I CB 0.219 38.112 38.000 -0.179 0.000 1.407 37 I HN 0.313 8.523 8.210 -0.000 0.000 0.497 38 F N 4.273 123.937 119.950 -0.477 0.000 2.404 38 F HA 0.297 4.844 4.527 0.033 0.000 0.354 38 F C 0.161 175.605 175.800 -0.593 0.000 1.122 38 F CA -0.524 57.096 58.000 -0.633 0.000 1.080 38 F CB 0.997 39.373 39.000 -1.040 0.000 1.131 38 F HN 0.418 8.718 8.300 -0.000 0.000 0.471 39 D N 2.766 123.035 120.400 -0.219 0.000 2.349 39 D HA 0.485 5.145 4.640 0.033 0.000 0.232 39 D C -1.088 175.119 176.300 -0.154 0.000 1.071 39 D CA -0.031 53.862 54.000 -0.178 0.000 0.832 39 D CB 1.500 42.276 40.800 -0.041 0.000 1.086 39 D HN 0.114 8.484 8.370 -0.000 0.000 0.504 40 V N 3.004 122.781 119.914 -0.228 0.000 2.448 40 V HA 0.491 4.631 4.120 0.033 0.000 0.295 40 V C 0.130 176.147 176.094 -0.127 0.000 1.025 40 V CA -0.554 61.679 62.300 -0.111 0.000 0.859 40 V CB 1.836 33.652 31.823 -0.011 0.000 0.988 40 V HN 0.527 8.717 8.190 -0.000 0.000 0.431 41 T N 5.921 120.439 114.554 -0.060 0.000 2.829 41 T HA 0.668 5.037 4.350 0.033 0.000 0.280 41 T C -0.807 173.708 174.700 -0.309 0.000 0.999 41 T CA -0.366 61.678 62.100 -0.093 0.000 0.983 41 T CB 1.718 70.607 68.868 0.035 0.000 0.968 41 T HN 0.456 8.696 8.240 -0.000 0.000 0.446 42 L N 2.554 123.655 121.223 -0.203 0.000 2.333 42 L HA 0.847 5.207 4.340 0.033 0.000 0.280 42 L C -0.433 176.313 176.870 -0.206 0.000 1.004 42 L CA 0.108 54.834 54.840 -0.190 0.000 0.820 42 L CB 1.688 43.751 42.059 0.006 0.000 1.247 42 L HN 0.663 8.893 8.230 -0.000 0.000 0.416 43 S N 1.145 116.717 115.700 -0.213 0.000 2.579 43 S HA 0.473 4.963 4.470 0.033 0.000 0.272 43 S C 0.639 175.362 174.600 0.205 0.000 1.141 43 S CA 0.123 58.329 58.200 0.010 0.000 0.843 43 S CB 1.556 64.819 63.200 0.104 0.000 1.122 43 S HN 0.843 9.153 8.310 -0.000 0.000 0.468 44 T N -0.198 114.490 114.554 0.224 0.000 3.088 44 T HA 0.290 4.659 4.350 0.033 0.000 0.259 44 T C 0.179 175.181 174.700 0.504 0.000 1.122 44 T CA 0.327 62.591 62.100 0.273 0.000 1.095 44 T CB -0.128 68.832 68.868 0.154 0.000 0.930 44 T HN 0.453 8.693 8.240 -0.000 0.000 0.508 45 E N 0.667 121.139 120.200 0.453 0.000 2.263 45 E HA 0.518 4.887 4.350 0.033 0.000 0.264 45 E C -0.299 176.296 176.600 -0.009 0.000 0.923 45 E CA -0.932 55.655 56.400 0.311 0.000 0.802 45 E CB 2.122 31.924 29.700 0.170 0.000 1.228 45 E HN 0.263 8.623 8.360 -0.000 0.000 0.417 46 L N 2.979 123.879 121.223 -0.539 0.000 2.499 46 L HA 0.083 4.443 4.340 0.033 0.000 0.281 46 L C -1.766 174.713 176.870 -0.651 0.000 1.234 46 L CA -1.161 53.113 54.840 -0.943 0.000 0.839 46 L CB 0.019 41.508 42.059 -0.949 0.000 1.104 46 L HN 0.183 8.413 8.230 -0.000 0.000 0.500 47 P HA 0.015 4.435 4.420 -0.000 0.000 0.276 47 P C -0.415 176.631 177.300 -0.423 0.000 1.230 47 P CA -0.216 62.259 63.100 -1.040 0.000 0.776 47 P CB 1.039 31.796 31.700 -1.571 0.000 0.888 48 D N 2.181 122.450 120.400 -0.219 0.000 2.224 48 D HA -0.067 4.593 4.640 0.033 0.000 0.205 48 D C -0.007 176.248 176.300 -0.076 0.000 0.965 48 D CA 1.362 55.305 54.000 -0.095 0.000 0.852 48 D CB 0.262 41.040 40.800 -0.037 0.000 0.947 48 D HN 0.351 8.721 8.370 -0.000 0.000 0.494 49 K N 0.547 120.883 120.400 -0.107 0.000 2.270 49 K HA 0.252 4.591 4.320 0.033 0.000 0.255 49 K C -0.609 175.931 176.600 -0.100 0.000 0.936 49 K CA -0.710 55.538 56.287 -0.065 0.000 0.809 49 K CB 2.253 34.736 32.500 -0.028 0.000 1.131 49 K HN -0.054 8.196 8.250 -0.000 0.000 0.427 50 E N 4.660 124.838 120.200 -0.037 0.000 2.351 50 E HA 0.058 4.428 4.350 0.033 0.000 0.266 50 E C -1.907 174.684 176.600 -0.015 0.000 1.031 50 E CA -1.449 54.944 56.400 -0.011 0.000 0.911 50 E CB 0.498 30.241 29.700 0.070 0.000 0.986 50 E HN 0.290 8.650 8.360 -0.000 0.000 0.446 51 P HA 0.178 4.598 4.420 -0.000 0.000 0.287 51 P C -0.171 177.138 177.300 0.016 0.000 1.296 51 P CA -0.501 62.590 63.100 -0.016 0.000 0.811 51 P CB 0.807 32.496 31.700 -0.018 0.000 1.211 52 N N -0.971 117.726 118.700 -0.005 0.000 2.300 52 N HA 0.083 4.842 4.740 0.033 0.000 0.179 52 N C 0.458 176.019 175.510 0.084 0.000 1.016 52 N CA 0.777 53.848 53.050 0.035 0.000 0.876 52 N CB 0.055 38.520 38.487 -0.037 0.000 0.979 52 N HN 0.514 8.894 8.380 -0.000 0.000 0.432 53 A N 0.312 123.132 122.820 0.001 0.000 2.549 53 A HA 0.676 5.016 4.320 0.033 0.000 0.297 53 A C -1.159 176.388 177.584 -0.062 0.000 1.061 53 A CA -0.556 51.496 52.037 0.025 0.000 0.690 53 A CB 1.385 20.441 19.000 0.092 0.000 1.287 53 A HN 0.019 8.169 8.150 -0.000 0.000 0.402 54 I N 2.742 123.170 120.570 -0.236 0.000 2.378 54 I HA 0.369 4.559 4.170 0.033 0.000 0.291 54 I C -0.889 175.156 176.117 -0.121 0.000 0.992 54 I CA -0.676 60.450 61.300 -0.291 0.000 1.154 54 I CB 1.623 39.108 38.000 -0.859 0.000 1.315 54 I HN 0.393 8.603 8.210 -0.000 0.000 0.448 55 I N 5.043 125.685 120.570 0.119 0.000 2.330 55 I HA 0.451 4.641 4.170 0.033 0.000 0.289 55 I C 0.074 176.455 176.117 0.441 0.000 1.001 55 I CA -0.181 61.275 61.300 0.260 0.000 1.193 55 I CB 0.882 39.030 38.000 0.245 0.000 1.345 55 I HN 0.505 8.715 8.210 -0.000 0.000 0.461 56 T N 5.279 120.167 114.554 0.557 0.000 2.942 56 T HA 0.448 4.818 4.350 0.033 0.000 0.327 56 T C -1.157 173.829 174.700 0.478 0.000 1.360 56 T CA -0.679 61.682 62.100 0.435 0.000 1.055 56 T CB 1.897 70.987 68.868 0.370 0.000 1.261 56 T HN 0.554 8.794 8.240 -0.000 0.000 0.485 57 K N 2.791 123.188 120.400 -0.004 0.000 2.394 57 K HA 0.524 4.864 4.320 0.033 0.000 0.260 57 K C -0.319 176.164 176.600 -0.196 0.000 0.967 57 K CA -0.783 55.510 56.287 0.011 0.000 0.855 57 K CB 1.015 33.236 32.500 -0.466 0.000 1.101 57 K HN 0.554 8.804 8.250 -0.000 0.000 0.433 58 R N 3.516 123.838 120.500 -0.296 0.000 2.370 58 R HA 0.081 4.441 4.340 0.033 0.000 0.309 58 R C -0.115 176.026 176.300 -0.266 0.000 1.059 58 R CA 0.296 56.138 56.100 -0.430 0.000 0.981 58 R CB 0.453 30.369 30.300 -0.640 0.000 0.972 58 R HN 0.869 9.139 8.270 -0.000 0.000 0.437 59 T N 3.344 117.700 114.554 -0.330 0.000 2.777 59 T HA -0.043 4.327 4.350 0.033 0.000 0.266 59 T C 0.246 174.581 174.700 -0.607 0.000 1.040 59 T CA 1.112 62.930 62.100 -0.471 0.000 1.141 59 T CB -0.115 68.429 68.868 -0.539 0.000 0.868 59 T HN 0.573 8.813 8.240 -0.000 0.000 0.444 60 H N -0.689 118.354 119.070 -0.045 0.000 2.851 60 H HA 0.241 4.816 4.556 0.032 0.000 0.372 60 H C -1.953 173.371 175.328 -0.007 0.000 1.158 60 H CA -2.209 53.833 56.048 -0.009 0.000 1.159 60 H CB 1.861 31.622 29.762 -0.002 0.000 1.757 60 H HN -0.092 8.188 8.280 -0.000 0.000 0.546 61 P HA -0.113 4.307 4.420 -0.000 0.000 0.219 61 P C 0.495 177.839 177.300 0.073 0.000 1.146 61 P CA 0.963 64.114 63.100 0.085 0.000 0.808 61 P CB 0.582 32.329 31.700 0.078 0.000 0.779 62 V N -4.702 115.262 119.914 0.083 0.000 2.789 62 V HA 0.942 5.082 4.120 0.033 0.000 0.311 62 V C -0.147 175.985 176.094 0.064 0.000 1.073 62 V CA -0.224 62.112 62.300 0.060 0.000 0.921 62 V CB 1.291 33.138 31.823 0.039 0.000 1.009 62 V HN 0.430 8.620 8.190 -0.000 0.000 0.426 63 G N 2.769 111.605 108.800 0.059 0.000 2.334 63 G HA2 0.017 3.996 3.960 0.033 0.000 0.315 63 G HA3 0.017 3.996 3.960 0.033 0.000 0.315 63 G C 0.018 174.965 174.900 0.079 0.000 1.284 63 G CA -0.041 45.096 45.100 0.062 0.000 0.985 63 G HN 1.056 9.345 8.290 -0.000 0.000 0.504 64 K N -0.615 119.837 120.400 0.086 0.000 2.032 64 K HA -0.070 4.270 4.320 0.033 0.000 0.209 64 K C 2.640 179.329 176.600 0.148 0.000 1.048 64 K CA 2.165 58.517 56.287 0.109 0.000 0.927 64 K CB -0.243 32.322 32.500 0.108 0.000 0.712 64 K HN 0.491 8.741 8.250 -0.000 0.000 0.441 65 M N 0.183 119.863 119.600 0.133 0.000 2.117 65 M HA -0.157 4.343 4.480 0.033 0.000 0.262 65 M C 2.054 178.448 176.300 0.156 0.000 1.065 65 M CA 1.803 57.192 55.300 0.149 0.000 1.114 65 M CB -0.144 32.421 32.600 -0.059 0.000 1.361 65 M HN 0.291 8.581 8.290 -0.000 0.000 0.408 66 A N 0.477 123.347 122.820 0.083 0.000 1.908 66 A HA -0.221 4.119 4.320 0.033 0.000 0.218 66 A C 1.654 179.304 177.584 0.109 0.000 1.181 66 A CA 2.243 54.322 52.037 0.070 0.000 0.627 66 A CB -0.977 18.053 19.000 0.051 0.000 0.818 66 A HN 0.570 8.720 8.150 -0.000 0.000 0.445 67 D N -0.377 120.092 120.400 0.115 0.000 2.097 67 D HA -0.114 4.546 4.640 0.033 0.000 0.197 67 D C 1.950 178.336 176.300 0.144 0.000 0.984 67 D CA 1.450 55.516 54.000 0.109 0.000 0.826 67 D CB -0.498 40.357 40.800 0.093 0.000 0.973 67 D HN 0.644 9.014 8.370 -0.000 0.000 0.460 68 E N 0.113 120.432 120.200 0.198 0.000 2.085 68 E HA -0.178 4.192 4.350 0.033 0.000 0.194 68 E C 2.089 178.849 176.600 0.266 0.000 0.994 68 E CA 0.675 57.213 56.400 0.230 0.000 0.801 68 E CB -0.108 29.775 29.700 0.305 0.000 0.743 68 E HN 0.223 8.583 8.360 -0.000 0.000 0.453 69 M N 0.406 120.221 119.600 0.358 0.000 2.086 69 M HA -0.182 4.317 4.480 0.033 0.000 0.261 69 M C 2.211 178.598 176.300 0.144 0.000 1.067 69 M CA 1.569 57.081 55.300 0.352 0.000 1.116 69 M CB 0.095 32.909 32.600 0.356 0.000 1.348 69 M HN -0.081 8.209 8.290 -0.000 0.000 0.407 70 R N -0.236 120.323 120.500 0.099 0.000 2.081 70 R HA -0.189 4.171 4.340 0.033 0.000 0.235 70 R C 2.230 178.562 176.300 0.054 0.000 1.131 70 R CA 1.639 57.763 56.100 0.040 0.000 0.960 70 R CB -0.354 29.970 30.300 0.040 0.000 0.856 70 R HN 0.214 8.484 8.270 -0.000 0.000 0.436 71 K N 0.305 120.761 120.400 0.094 0.000 2.026 71 K HA -0.197 4.143 4.320 0.033 0.000 0.208 71 K C 1.853 178.524 176.600 0.118 0.000 1.048 71 K CA 1.454 57.791 56.287 0.085 0.000 0.929 71 K CB -0.536 32.018 32.500 0.091 0.000 0.713 71 K HN 0.146 8.396 8.250 -0.000 0.000 0.439 72 Y N 1.454 121.806 120.300 0.088 0.000 2.128 72 Y HA -0.209 4.361 4.550 0.032 0.000 0.284 72 Y C 1.828 177.866 175.900 0.230 0.000 1.154 72 Y CA 2.204 60.417 58.100 0.188 0.000 1.149 72 Y CB 0.050 38.557 38.460 0.078 0.000 0.976 72 Y HN 0.251 8.531 8.280 -0.000 0.000 0.505 73 E N 0.008 120.323 120.200 0.191 0.000 2.051 73 E HA -0.281 4.089 4.350 0.033 0.000 0.192 73 E C 2.169 178.783 176.600 0.023 0.000 0.991 73 E CA 1.508 57.918 56.400 0.018 0.000 0.799 73 E CB -0.186 29.360 29.700 -0.256 0.000 0.748 73 E HN 0.391 8.751 8.360 -0.000 0.000 0.449 74 K N 0.780 121.176 120.400 -0.006 0.000 2.057 74 K HA -0.182 4.158 4.320 0.033 0.000 0.207 74 K C 1.215 177.763 176.600 -0.087 0.000 1.049 74 K CA 1.779 58.047 56.287 -0.033 0.000 0.931 74 K CB 0.156 32.640 32.500 -0.028 0.000 0.714 74 K HN -0.045 8.206 8.250 -0.000 0.000 0.440 75 D N -0.581 119.725 120.400 -0.156 0.000 2.349 75 D HA -0.009 4.651 4.640 0.033 0.000 0.215 75 D C -0.147 175.731 176.300 -0.703 0.000 1.016 75 D CA 0.682 54.450 54.000 -0.388 0.000 0.870 75 D CB 0.271 40.809 40.800 -0.437 0.000 0.917 75 D HN 0.351 8.721 8.370 -0.000 0.000 0.524 76 H N -0.198 118.731 119.070 -0.235 0.000 2.379 76 H HA 0.155 4.731 4.556 0.033 0.000 0.229 76 H C -1.782 173.546 175.328 0.000 0.000 1.423 76 H CA -1.143 54.799 56.048 -0.177 0.000 1.375 76 H CB 1.337 30.873 29.762 -0.378 0.000 1.592 76 H HN 0.032 8.312 8.280 -0.000 0.000 0.507 77 P HA -0.113 4.307 4.420 -0.000 0.000 0.225 77 P C 1.011 178.388 177.300 0.127 0.000 1.148 77 P CA 0.859 64.011 63.100 0.086 0.000 0.779 77 P CB 0.403 32.122 31.700 0.031 0.000 0.780 78 K N -0.531 119.947 120.400 0.131 0.000 2.418 78 K HA 0.108 4.448 4.320 0.033 0.000 0.195 78 K C 0.482 177.195 176.600 0.189 0.000 1.035 78 K CA 0.076 56.444 56.287 0.135 0.000 1.003 78 K CB 0.147 32.707 32.500 0.100 0.000 0.793 78 K HN 0.020 8.270 8.250 -0.000 0.000 0.494 79 V N 2.960 123.031 119.914 0.261 0.000 2.470 79 V HA 0.027 4.167 4.120 0.033 0.000 0.276 79 V C -0.066 176.251 176.094 0.371 0.000 1.040 79 V CA -0.563 61.920 62.300 0.305 0.000 1.008 79 V CB 0.601 32.667 31.823 0.404 0.000 0.990 79 V HN 0.128 8.318 8.190 -0.000 0.000 0.477 80 L N 6.408 127.809 121.223 0.296 0.000 2.367 80 L HA 0.431 4.791 4.340 0.033 0.000 0.275 80 L C -0.601 176.459 176.870 0.317 0.000 1.129 80 L CA 0.556 55.584 54.840 0.314 0.000 0.839 80 L CB 0.217 42.446 42.059 0.284 0.000 1.133 80 L HN 0.425 8.655 8.230 -0.000 0.000 0.453 81 F N 5.610 125.679 119.950 0.199 0.000 2.420 81 F HA 0.480 5.027 4.527 0.033 0.000 0.342 81 F C -0.151 175.773 175.800 0.208 0.000 1.113 81 F CA -0.342 57.793 58.000 0.224 0.000 1.059 81 F CB 1.236 40.380 39.000 0.241 0.000 1.128 81 F HN 0.270 8.570 8.300 -0.000 0.000 0.475 82 L N 5.034 126.419 121.223 0.271 0.000 2.408 82 L HA 0.413 4.772 4.340 0.033 0.000 0.257 82 L C -0.609 176.460 176.870 0.331 0.000 1.053 82 L CA -0.384 54.590 54.840 0.223 0.000 0.922 82 L CB 0.527 42.641 42.059 0.093 0.000 1.261 82 L HN 0.480 8.710 8.230 -0.000 0.000 0.458 83 E N 1.119 121.602 120.200 0.471 0.000 2.277 83 E HA 0.444 4.814 4.350 0.033 0.000 0.266 83 E C -0.444 176.517 176.600 0.601 0.000 0.901 83 E CA -0.437 56.200 56.400 0.394 0.000 0.782 83 E CB 2.459 32.244 29.700 0.142 0.000 1.228 83 E HN 0.438 8.798 8.360 -0.000 0.000 0.424 84 S N 0.049 116.022 115.700 0.454 0.000 2.600 84 S HA 0.143 4.633 4.470 0.033 0.000 0.265 84 S C 1.122 175.911 174.600 0.314 0.000 1.325 84 S CA -0.363 58.019 58.200 0.304 0.000 1.002 84 S CB 1.082 64.386 63.200 0.173 0.000 0.921 84 S HN 0.371 8.681 8.310 -0.000 0.000 0.554 85 S N 1.270 117.034 115.700 0.107 0.000 2.368 85 S HA -0.089 4.401 4.470 0.033 0.000 0.225 85 S C 2.254 176.936 174.600 0.136 0.000 1.030 85 S CA 1.183 59.444 58.200 0.103 0.000 0.999 85 S CB -1.073 62.134 63.200 0.012 0.000 0.844 85 S HN 0.901 9.211 8.310 -0.000 0.000 0.459 86 A N 1.712 124.590 122.820 0.096 0.000 1.902 86 A HA -0.062 4.278 4.320 0.033 0.000 0.217 86 A C 2.006 179.648 177.584 0.097 0.000 1.181 86 A CA 1.134 53.220 52.037 0.081 0.000 0.623 86 A CB -0.560 18.474 19.000 0.056 0.000 0.818 86 A HN 0.406 8.556 8.150 -0.000 0.000 0.443 87 I N -0.454 120.186 120.570 0.117 0.000 2.252 87 I HA -0.190 4.000 4.170 0.033 0.000 0.245 87 I C 2.304 178.462 176.117 0.068 0.000 1.102 87 I CA 1.411 62.757 61.300 0.077 0.000 1.385 87 I CB -1.706 36.330 38.000 0.060 0.000 1.064 87 I HN 0.454 8.664 8.210 -0.000 0.000 0.414 88 H N 0.699 119.821 119.070 0.087 0.000 2.353 88 H HA -0.163 4.413 4.556 0.033 0.000 0.300 88 H C 1.779 177.142 175.328 0.058 0.000 1.090 88 H CA 1.655 57.751 56.048 0.081 0.000 1.327 88 H CB 0.071 29.883 29.762 0.085 0.000 1.383 88 H HN 0.332 8.612 8.280 -0.000 0.000 0.508 89 D N 0.551 121.058 120.400 0.178 0.000 2.097 89 D HA -0.148 4.512 4.640 0.033 0.000 0.195 89 D C 2.330 178.674 176.300 0.074 0.000 0.989 89 D CA 0.527 54.591 54.000 0.107 0.000 0.827 89 D CB -0.298 40.551 40.800 0.083 0.000 0.966 89 D HN 0.229 8.599 8.370 -0.000 0.000 0.456 90 M N 0.003 119.641 119.600 0.063 0.000 2.117 90 M HA -0.085 4.415 4.480 0.033 0.000 0.262 90 M C 1.664 177.984 176.300 0.033 0.000 1.065 90 M CA 1.298 56.621 55.300 0.040 0.000 1.114 90 M CB -0.324 32.294 32.600 0.031 0.000 1.361 90 M HN -0.008 8.282 8.290 -0.000 0.000 0.408 91 M N -0.090 119.531 119.600 0.034 0.000 2.659 91 M HA -0.040 4.460 4.480 0.033 0.000 0.243 91 M C 1.660 177.983 176.300 0.037 0.000 1.111 91 M CA 0.962 56.277 55.300 0.024 0.000 1.070 91 M CB -0.381 32.219 32.600 0.000 0.000 1.525 91 M HN 0.425 8.715 8.290 -0.000 0.000 0.517 92 S N -1.380 114.351 115.700 0.051 0.000 2.593 92 S HA 0.060 4.550 4.470 0.033 0.000 0.217 92 S C 0.763 175.378 174.600 0.026 0.000 0.966 92 S CA -0.367 57.860 58.200 0.046 0.000 0.914 92 S CB 0.043 63.283 63.200 0.066 0.000 0.776 92 S HN 0.258 8.568 8.310 -0.000 0.000 0.523 93 S N 0.744 116.459 115.700 0.024 0.000 2.566 93 S HA 0.460 4.950 4.470 0.033 0.000 0.324 93 S C 0.861 175.469 174.600 0.013 0.000 1.081 93 S CA -0.885 57.326 58.200 0.019 0.000 1.105 93 S CB 0.836 64.050 63.200 0.023 0.000 0.981 93 S HN 0.418 8.728 8.310 -0.000 0.000 0.464 94 R N 2.729 123.234 120.500 0.008 0.000 2.120 94 R HA -0.102 4.258 4.340 0.033 0.000 0.234 94 R C 1.965 178.270 176.300 0.009 0.000 1.123 94 R CA 1.561 57.665 56.100 0.007 0.000 0.975 94 R CB -0.143 30.160 30.300 0.005 0.000 0.866 94 R HN 0.824 9.094 8.270 -0.000 0.000 0.446 95 E N 1.392 121.601 120.200 0.015 0.000 2.051 95 E HA -0.219 4.151 4.350 0.033 0.000 0.192 95 E C 1.551 178.154 176.600 0.005 0.000 0.991 95 E CA 1.410 57.818 56.400 0.014 0.000 0.799 95 E CB 0.149 29.863 29.700 0.024 0.000 0.748 95 E HN 0.371 8.731 8.360 -0.000 0.000 0.449 96 E N 0.182 120.387 120.200 0.009 0.000 2.106 96 E HA -0.156 4.214 4.350 0.033 0.000 0.192 96 E C 2.244 178.844 176.600 -0.001 0.000 0.984 96 E CA 1.025 57.428 56.400 0.006 0.000 0.806 96 E CB -0.060 29.647 29.700 0.012 0.000 0.750 96 E HN 0.383 8.743 8.360 -0.000 0.000 0.458 97 I N 1.732 122.302 120.570 0.000 0.000 2.142 97 I HA -0.288 3.901 4.170 0.033 0.000 0.240 97 I C 2.135 178.243 176.117 -0.015 0.000 1.078 97 I CA 0.960 62.258 61.300 -0.005 0.000 1.343 97 I CB -0.288 37.711 38.000 -0.000 0.000 1.046 97 I HN 0.106 8.316 8.210 -0.000 0.000 0.405 98 N N 0.879 119.569 118.700 -0.018 0.000 2.244 98 N HA -0.095 4.665 4.740 0.033 0.000 0.183 98 N C 1.910 177.396 175.510 -0.041 0.000 1.016 98 N CA 1.392 54.423 53.050 -0.033 0.000 0.866 98 N CB -0.157 38.307 38.487 -0.038 0.000 0.980 98 N HN 0.344 8.724 8.380 -0.000 0.000 0.430 99 A N 1.506 124.308 122.820 -0.031 0.000 1.908 99 A HA -0.079 4.261 4.320 0.033 0.000 0.218 99 A C 2.357 179.923 177.584 -0.029 0.000 1.181 99 A CA 0.965 52.983 52.037 -0.030 0.000 0.627 99 A CB -0.673 18.316 19.000 -0.018 0.000 0.818 99 A HN 0.182 8.332 8.150 -0.000 0.000 0.445 100 L N -0.728 120.480 121.223 -0.024 0.000 2.109 100 L HA -0.120 4.240 4.340 0.033 0.000 0.207 100 L C 2.511 179.361 176.870 -0.033 0.000 1.086 100 L CA 0.729 55.554 54.840 -0.026 0.000 0.760 100 L CB -0.434 41.612 42.059 -0.021 0.000 0.910 100 L HN 0.376 8.606 8.230 -0.000 0.000 0.437 101 L N -0.476 120.726 121.223 -0.035 0.000 2.017 101 L HA -0.235 4.125 4.340 0.033 0.000 0.208 101 L C 2.479 179.321 176.870 -0.046 0.000 1.073 101 L CA 1.393 56.208 54.840 -0.041 0.000 0.745 101 L CB -0.439 41.596 42.059 -0.040 0.000 0.894 101 L HN 0.210 8.440 8.230 -0.000 0.000 0.432 102 I N 0.040 120.580 120.570 -0.050 0.000 2.179 102 I HA -0.324 3.866 4.170 0.033 0.000 0.242 102 I C 2.694 178.785 176.117 -0.044 0.000 1.088 102 I CA 1.423 62.690 61.300 -0.055 0.000 1.357 102 I CB -0.311 37.648 38.000 -0.069 0.000 1.051 102 I HN 0.244 8.454 8.210 -0.000 0.000 0.409 103 K N 0.898 121.275 120.400 -0.037 0.000 2.209 103 K HA -0.150 4.190 4.320 0.033 0.000 0.204 103 K C 1.241 177.824 176.600 -0.029 0.000 1.048 103 K CA 1.324 57.593 56.287 -0.030 0.000 0.940 103 K CB 0.025 32.510 32.500 -0.025 0.000 0.729 103 K HN 0.344 8.594 8.250 -0.000 0.000 0.451 104 N N 1.281 119.961 118.700 -0.033 0.000 2.251 104 N HA 0.022 4.782 4.740 0.033 0.000 0.217 104 N C -0.828 174.662 175.510 -0.033 0.000 1.124 104 N CA 0.091 53.122 53.050 -0.033 0.000 0.843 104 N CB 0.500 38.964 38.487 -0.039 0.000 1.024 104 N HN 0.200 8.580 8.380 -0.000 0.000 0.501 105 N N 0.735 119.413 118.700 -0.035 0.000 2.754 105 N HA -0.184 4.576 4.740 0.033 0.000 0.248 105 N C -0.664 174.821 175.510 -0.043 0.000 1.093 105 N CA 0.669 53.697 53.050 -0.036 0.000 0.699 105 N CB -1.548 36.922 38.487 -0.029 0.000 1.016 105 N HN 0.411 8.791 8.380 -0.000 0.000 0.552 106 I N 1.153 121.694 120.570 -0.048 0.000 2.307 106 I HA 0.232 4.422 4.170 0.033 0.000 0.289 106 I C -1.931 174.150 176.117 -0.061 0.000 1.021 106 I CA -1.804 59.461 61.300 -0.058 0.000 1.224 106 I CB 1.161 39.128 38.000 -0.056 0.000 1.376 106 I HN -0.271 7.939 8.210 -0.000 0.000 0.470 107 P HA 0.107 4.527 4.420 -0.000 0.000 0.262 107 P C -0.725 176.540 177.300 -0.057 0.000 1.182 107 P CA 0.332 63.395 63.100 -0.063 0.000 0.761 107 P CB 0.279 31.937 31.700 -0.069 0.000 0.795 108 I N 0.547 121.088 120.570 -0.048 0.000 3.074 108 I HA 0.715 4.905 4.170 0.033 0.000 0.310 108 I C -2.818 173.284 176.117 -0.025 0.000 1.153 108 I CA -3.448 57.829 61.300 -0.038 0.000 0.993 108 I CB 2.121 40.093 38.000 -0.047 0.000 1.237 108 I HN 0.035 8.245 8.210 -0.000 0.000 0.443 109 P HA 0.126 4.546 4.420 -0.000 0.000 0.272 109 P C -0.866 176.445 177.300 0.020 0.000 1.223 109 P CA -0.196 62.929 63.100 0.043 0.000 0.784 109 P CB 0.325 32.059 31.700 0.056 0.000 0.923 110 N N 1.105 119.832 118.700 0.045 0.000 2.411 110 N HA 0.065 4.825 4.740 0.033 0.000 0.261 110 N C -0.853 174.584 175.510 -0.122 0.000 1.248 110 N CA 0.852 53.863 53.050 -0.065 0.000 0.885 110 N CB -0.235 38.265 38.487 0.022 0.000 1.062 110 N HN 0.194 8.574 8.380 -0.000 0.000 0.471 111 S N 2.189 117.622 115.700 -0.446 0.000 2.536 111 S HA 0.662 5.152 4.470 0.033 0.000 0.287 111 S C -1.301 172.857 174.600 -0.738 0.000 1.101 111 S CA -0.554 57.437 58.200 -0.347 0.000 0.950 111 S CB 0.829 63.928 63.200 -0.167 0.000 1.056 111 S HN 0.401 8.711 8.310 -0.000 0.000 0.481 112 F N 0.785 120.728 119.950 -0.011 0.000 2.573 112 F HA 0.411 4.933 4.527 -0.008 0.000 0.316 112 F C 0.272 176.075 175.800 0.004 0.000 1.148 112 F CA -0.650 57.339 58.000 -0.017 0.000 0.940 112 F CB 1.863 40.833 39.000 -0.050 0.000 1.214 112 F HN 0.355 8.655 8.300 -0.000 0.000 0.448 113 S N 2.534 118.323 115.700 0.149 0.000 2.465 113 S HA 0.668 5.157 4.470 0.033 0.000 0.279 113 S C -0.342 174.340 174.600 0.136 0.000 1.201 113 S CA -0.534 57.737 58.200 0.119 0.000 1.053 113 S CB 0.991 64.233 63.200 0.070 0.000 0.953 113 S HN 0.347 8.657 8.310 -0.000 0.000 0.488 114 V N 4.263 124.273 119.914 0.160 0.000 2.914 114 V HA 0.425 4.565 4.120 0.033 0.000 0.314 114 V C 0.294 176.510 176.094 0.203 0.000 1.084 114 V CA -0.785 61.614 62.300 0.166 0.000 0.963 114 V CB 2.270 34.217 31.823 0.207 0.000 1.025 114 V HN 0.851 9.041 8.190 -0.000 0.000 0.432 115 K N 1.263 121.709 120.400 0.077 0.000 2.373 115 K HA 0.325 4.665 4.320 0.033 0.000 0.200 115 K C 0.219 176.662 176.600 -0.262 0.000 1.054 115 K CA 0.311 56.615 56.287 0.029 0.000 1.065 115 K CB 1.027 33.525 32.500 -0.003 0.000 0.886 115 K HN 0.762 9.012 8.250 -0.000 0.000 0.546 116 S N -0.969 114.358 115.700 -0.620 0.000 2.588 116 S HA 0.262 4.752 4.470 0.033 0.000 0.269 116 S C 0.141 174.055 174.600 -1.145 0.000 1.157 116 S CA -0.980 56.518 58.200 -1.170 0.000 0.824 116 S CB 1.963 64.859 63.200 -0.506 0.000 1.126 116 S HN 0.006 8.316 8.310 -0.000 0.000 0.464 117 K N 0.287 120.123 120.400 -0.939 0.000 2.097 117 K HA -0.088 4.252 4.320 0.033 0.000 0.206 117 K C 1.412 177.939 176.600 -0.122 0.000 1.049 117 K CA 1.595 57.749 56.287 -0.222 0.000 0.933 117 K CB -0.216 32.282 32.500 -0.004 0.000 0.717 117 K HN 0.612 8.862 8.250 -0.000 0.000 0.442 118 E N 1.016 121.120 120.200 -0.162 0.000 2.118 118 E HA -0.209 4.161 4.350 0.033 0.000 0.195 118 E C 1.809 178.353 176.600 -0.094 0.000 0.992 118 E CA 1.354 57.694 56.400 -0.101 0.000 0.804 118 E CB -0.063 29.579 29.700 -0.097 0.000 0.741 118 E HN 0.481 8.841 8.360 -0.000 0.000 0.458 119 E N 0.307 120.433 120.200 -0.123 0.000 2.077 119 E HA -0.117 4.253 4.350 0.033 0.000 0.193 119 E C 2.273 178.818 176.600 -0.090 0.000 0.989 119 E CA 1.138 57.481 56.400 -0.096 0.000 0.800 119 E CB -0.046 29.603 29.700 -0.086 0.000 0.746 119 E HN 0.030 8.390 8.360 -0.000 0.000 0.452 120 V N 1.646 121.531 119.914 -0.049 0.000 2.287 120 V HA -0.274 3.866 4.120 0.033 0.000 0.248 120 V C 2.290 178.344 176.094 -0.067 0.000 1.053 120 V CA 1.626 63.901 62.300 -0.042 0.000 1.027 120 V CB -0.467 31.430 31.823 0.124 0.000 0.646 120 V HN 0.256 8.446 8.190 -0.000 0.000 0.447 121 I N -0.254 120.301 120.570 -0.026 0.000 2.208 121 I HA -0.327 3.863 4.170 0.033 0.000 0.245 121 I C 2.660 178.741 176.117 -0.060 0.000 1.097 121 I CA 1.839 63.124 61.300 -0.025 0.000 1.363 121 I CB -0.348 37.644 38.000 -0.013 0.000 1.051 121 I HN 0.335 8.545 8.210 -0.000 0.000 0.413 122 Q N 0.981 120.734 119.800 -0.078 0.000 2.119 122 Q HA -0.131 4.229 4.340 0.033 0.000 0.201 122 Q C 2.111 178.032 176.000 -0.131 0.000 0.972 122 Q CA 1.627 57.377 55.803 -0.087 0.000 0.847 122 Q CB -0.253 28.438 28.738 -0.078 0.000 0.903 122 Q HN 0.492 8.762 8.270 -0.000 0.000 0.433 123 L N -0.547 120.555 121.223 -0.202 0.000 2.093 123 L HA -0.159 4.201 4.340 0.033 0.000 0.208 123 L C 2.204 178.909 176.870 -0.275 0.000 1.085 123 L CA 0.808 55.447 54.840 -0.335 0.000 0.755 123 L CB -0.399 41.309 42.059 -0.586 0.000 0.904 123 L HN 0.262 8.492 8.230 -0.000 0.000 0.435 124 L N -0.689 120.420 121.223 -0.190 0.000 2.044 124 L HA -0.189 4.171 4.340 0.033 0.000 0.205 124 L C 2.787 179.616 176.870 -0.067 0.000 1.075 124 L CA 1.084 55.861 54.840 -0.105 0.000 0.747 124 L CB -0.601 41.440 42.059 -0.029 0.000 0.903 124 L HN 0.355 8.585 8.230 -0.000 0.000 0.435 125 Q N 0.452 120.216 119.800 -0.061 0.000 2.124 125 Q HA -0.191 4.169 4.340 0.033 0.000 0.202 125 Q C 2.049 178.022 176.000 -0.045 0.000 0.977 125 Q CA 2.054 57.832 55.803 -0.041 0.000 0.850 125 Q CB -0.044 28.672 28.738 -0.035 0.000 0.901 125 Q HN 0.553 8.823 8.270 -0.000 0.000 0.429 126 S N -0.452 115.209 115.700 -0.066 0.000 2.593 126 S HA 0.119 4.609 4.470 0.033 0.000 0.217 126 S C 0.280 174.847 174.600 -0.055 0.000 0.966 126 S CA 0.165 58.331 58.200 -0.057 0.000 0.914 126 S CB -0.022 63.139 63.200 -0.064 0.000 0.776 126 S HN 0.401 8.711 8.310 -0.000 0.000 0.523 127 K N 0.183 120.545 120.400 -0.062 0.000 3.129 127 K HA -0.246 4.094 4.320 0.033 0.000 0.273 127 K C 0.758 177.326 176.600 -0.054 0.000 1.123 127 K CA 1.054 57.312 56.287 -0.048 0.000 0.800 127 K CB -1.847 30.638 32.500 -0.024 0.000 1.238 127 K HN 0.595 8.845 8.250 -0.000 0.000 0.492 128 Q N 0.006 119.742 119.800 -0.107 0.000 2.134 128 Q HA 0.054 4.414 4.340 0.033 0.000 0.195 128 Q C 0.574 176.506 176.000 -0.114 0.000 0.958 128 Q CA 0.443 56.194 55.803 -0.087 0.000 0.840 128 Q CB 0.193 28.820 28.738 -0.185 0.000 0.918 128 Q HN 0.293 8.563 8.270 -0.000 0.000 0.467 129 L N 2.038 123.055 121.223 -0.345 0.000 2.265 129 L HA 0.250 4.609 4.340 0.033 0.000 0.288 129 L C -0.954 175.876 176.870 -0.067 0.000 1.058 129 L CA -0.106 54.572 54.840 -0.271 0.000 0.809 129 L CB 0.643 42.344 42.059 -0.596 0.000 1.179 129 L HN -0.012 8.218 8.230 -0.000 0.000 0.429 130 I N 6.183 126.790 120.570 0.062 0.000 2.359 130 I HA 0.275 4.465 4.170 0.033 0.000 0.294 130 I C 0.167 176.521 176.117 0.395 0.000 0.987 130 I CA -0.596 60.773 61.300 0.117 0.000 1.225 130 I CB 1.379 39.324 38.000 -0.092 0.000 1.366 130 I HN 0.550 8.760 8.210 -0.000 0.000 0.466 131 L N 7.448 128.873 121.223 0.336 0.000 2.452 131 L HA 0.265 4.625 4.340 0.033 0.000 0.267 131 L C -1.887 175.165 176.870 0.303 0.000 1.188 131 L CA -1.354 53.691 54.840 0.342 0.000 0.821 131 L CB 0.107 42.280 42.059 0.190 0.000 1.102 131 L HN 0.397 8.627 8.230 -0.000 0.000 0.470 132 P HA 0.273 4.693 4.420 -0.000 0.000 0.276 132 P C -1.221 176.209 177.300 0.216 0.000 1.252 132 P CA -0.220 62.908 63.100 0.048 0.000 0.802 132 P CB 0.589 32.198 31.700 -0.153 0.000 1.035 133 F N -1.044 118.958 119.950 0.086 0.000 2.588 133 F HA 0.667 5.225 4.527 0.050 0.000 0.310 133 F C -0.909 174.970 175.800 0.130 0.000 1.082 133 F CA -1.623 56.463 58.000 0.145 0.000 0.929 133 F CB 0.938 40.044 39.000 0.175 0.000 1.254 133 F HN 0.154 8.454 8.300 -0.000 0.000 0.455 134 I N 2.977 123.765 120.570 0.362 0.000 2.440 134 I HA 0.591 4.780 4.170 0.033 0.000 0.294 134 I C -1.155 175.125 176.117 0.272 0.000 0.995 134 I CA -0.967 60.491 61.300 0.264 0.000 1.306 134 I CB 1.421 39.622 38.000 0.335 0.000 1.407 134 I HN 0.574 8.784 8.210 -0.000 0.000 0.501 135 V N 7.835 127.831 119.914 0.137 0.000 2.357 135 V HA 0.382 4.521 4.120 0.033 0.000 0.284 135 V C -0.318 175.771 176.094 -0.007 0.000 1.018 135 V CA -0.673 61.687 62.300 0.099 0.000 0.841 135 V CB 1.115 32.953 31.823 0.026 0.000 0.991 135 V HN 0.644 8.834 8.190 -0.000 0.000 0.437 136 K N 5.767 126.171 120.400 0.007 0.000 2.221 136 K HA 0.549 4.889 4.320 0.033 0.000 0.258 136 K C -2.820 173.747 176.600 -0.054 0.000 0.944 136 K CA -1.971 54.290 56.287 -0.044 0.000 0.823 136 K CB 2.065 34.559 32.500 -0.009 0.000 1.113 136 K HN 0.304 8.554 8.250 -0.000 0.000 0.431 137 P HA -0.086 4.334 4.420 -0.000 0.000 0.267 137 P C 0.377 177.654 177.300 -0.039 0.000 1.200 137 P CA 0.176 63.232 63.100 -0.072 0.000 0.772 137 P CB 0.687 32.321 31.700 -0.109 0.000 0.855 138 E N 2.840 123.037 120.200 -0.006 0.000 2.110 138 E HA -0.186 4.184 4.350 0.033 0.000 0.193 138 E C 0.062 176.657 176.600 -0.008 0.000 0.988 138 E CA 1.457 57.863 56.400 0.010 0.000 0.804 138 E CB -0.610 29.112 29.700 0.036 0.000 0.745 138 E HN 0.326 8.686 8.360 -0.000 0.000 0.458 139 N N 0.232 118.919 118.700 -0.022 0.000 2.475 139 N HA 0.174 4.934 4.740 0.033 0.000 0.267 139 N C -0.164 175.295 175.510 -0.086 0.000 1.169 139 N CA 0.735 53.764 53.050 -0.035 0.000 0.947 139 N CB 1.485 39.955 38.487 -0.027 0.000 1.061 139 N HN 0.277 8.657 8.380 -0.000 0.000 0.466 140 A N 1.921 124.701 122.820 -0.067 0.000 2.229 140 A HA 0.071 4.411 4.320 0.033 0.000 0.211 140 A C 0.566 178.084 177.584 -0.110 0.000 1.193 140 A CA 0.516 52.500 52.037 -0.088 0.000 0.879 140 A CB 0.392 19.379 19.000 -0.022 0.000 0.911 140 A HN 0.583 8.733 8.150 -0.000 0.000 0.492 141 Q N -1.516 118.245 119.800 -0.066 0.000 2.320 141 Q HA 0.438 4.798 4.340 0.033 0.000 0.272 141 Q C 0.018 176.052 176.000 0.056 0.000 1.023 141 Q CA 0.370 56.186 55.803 0.022 0.000 0.855 141 Q CB 1.646 30.429 28.738 0.075 0.000 1.367 141 Q HN 1.058 9.328 8.270 -0.000 0.000 0.406 142 G N 2.002 110.877 108.800 0.124 0.000 2.176 142 G HA2 -0.234 3.746 3.960 0.033 0.000 0.232 142 G HA3 -0.234 3.746 3.960 0.033 0.000 0.232 142 G C -0.151 174.915 174.900 0.275 0.000 0.986 142 G CA 0.461 45.663 45.100 0.170 0.000 0.643 142 G HN 1.017 9.307 8.290 -0.000 0.000 0.522 143 T N -3.319 111.339 114.554 0.173 0.000 2.883 143 T HA 0.613 4.983 4.350 0.033 0.000 0.301 143 T C 0.695 175.514 174.700 0.198 0.000 1.158 143 T CA 0.084 62.286 62.100 0.169 0.000 1.007 143 T CB 1.904 70.825 68.868 0.089 0.000 1.186 143 T HN 0.836 9.076 8.240 -0.000 0.000 0.499 144 F N 2.189 122.186 119.950 0.079 0.000 2.095 144 F HA -0.087 4.461 4.527 0.035 0.000 0.298 144 F C 1.894 177.702 175.800 0.013 0.000 1.104 144 F CA 1.823 59.860 58.000 0.062 0.000 1.232 144 F CB -0.521 38.472 39.000 -0.010 0.000 0.987 144 F HN 0.556 8.856 8.300 -0.000 0.000 0.475 145 N N 0.746 119.470 118.700 0.041 0.000 2.289 145 N HA -0.124 4.636 4.740 0.033 0.000 0.184 145 N C 1.859 177.238 175.510 -0.219 0.000 1.016 145 N CA 1.153 54.150 53.050 -0.087 0.000 0.872 145 N CB -0.725 37.785 38.487 0.037 0.000 0.973 145 N HN 0.431 8.811 8.380 -0.000 0.000 0.433 146 A N 0.077 122.729 122.820 -0.282 0.000 2.125 146 A HA -0.122 4.218 4.320 0.033 0.000 0.219 146 A C 0.943 178.132 177.584 -0.658 0.000 1.156 146 A CA 1.094 52.853 52.037 -0.463 0.000 0.671 146 A CB -0.382 18.289 19.000 -0.549 0.000 0.794 146 A HN 0.386 8.536 8.150 -0.000 0.000 0.459 147 H N -1.914 117.001 119.070 -0.257 0.000 2.674 147 H HA 0.193 4.770 4.556 0.034 0.000 0.274 147 H C -0.049 175.011 175.328 -0.446 0.000 1.121 147 H CA -0.076 55.790 56.048 -0.303 0.000 1.132 147 H CB 0.167 29.764 29.762 -0.276 0.000 1.606 147 H HN 0.516 8.796 8.280 -0.000 0.000 0.558 148 Q N 1.914 121.475 119.800 -0.398 0.000 2.361 148 Q HA 0.231 4.591 4.340 0.033 0.000 0.250 148 Q C -0.585 175.167 176.000 -0.413 0.000 1.023 148 Q CA -0.190 55.351 55.803 -0.437 0.000 0.915 148 Q CB 0.342 28.857 28.738 -0.371 0.000 1.238 148 Q HN 0.064 8.334 8.270 -0.000 0.000 0.451 149 M N 2.677 121.934 119.600 -0.571 0.000 2.578 149 M HA 0.516 5.016 4.480 0.033 0.000 0.321 149 M C -0.701 175.368 176.300 -0.384 0.000 1.182 149 M CA -0.545 54.430 55.300 -0.543 0.000 0.965 149 M CB 1.672 33.728 32.600 -0.907 0.000 1.694 149 M HN 0.481 8.771 8.290 -0.000 0.000 0.461 150 K N 1.807 122.075 120.400 -0.220 0.000 2.378 150 K HA 0.687 5.027 4.320 0.033 0.000 0.252 150 K C -1.691 174.838 176.600 -0.118 0.000 0.931 150 K CA -0.499 55.690 56.287 -0.163 0.000 0.794 150 K CB 1.840 34.223 32.500 -0.194 0.000 1.181 150 K HN 0.720 8.970 8.250 -0.000 0.000 0.425 151 I N 4.193 124.666 120.570 -0.162 0.000 2.312 151 I HA 0.194 4.384 4.170 0.033 0.000 0.290 151 I C -0.434 175.434 176.117 -0.416 0.000 1.008 151 I CA -1.074 60.069 61.300 -0.261 0.000 1.226 151 I CB 1.756 39.556 38.000 -0.333 0.000 1.371 151 I HN 0.222 8.432 8.210 -0.000 0.000 0.468 152 V N 7.701 127.271 119.914 -0.575 0.000 2.385 152 V HA 0.188 4.328 4.120 0.033 0.000 0.269 152 V C 0.870 176.642 176.094 -0.537 0.000 1.043 152 V CA -0.104 61.801 62.300 -0.658 0.000 0.906 152 V CB 1.332 32.475 31.823 -1.133 0.000 0.995 152 V HN 0.695 8.885 8.190 -0.000 0.000 0.467 153 L N 2.846 123.859 121.223 -0.349 0.000 2.408 153 L HA 0.356 4.715 4.340 0.033 0.000 0.215 153 L C 0.721 177.509 176.870 -0.137 0.000 1.081 153 L CA 0.610 55.307 54.840 -0.239 0.000 0.840 153 L CB 0.273 42.194 42.059 -0.230 0.000 1.002 153 L HN 0.556 8.786 8.230 -0.000 0.000 0.468 154 E N -0.910 119.215 120.200 -0.126 0.000 2.416 154 E HA 0.096 4.466 4.350 0.033 0.000 0.273 154 E C -0.255 176.330 176.600 -0.025 0.000 0.935 154 E CA -0.415 55.955 56.400 -0.051 0.000 0.784 154 E CB 1.545 31.218 29.700 -0.045 0.000 1.301 154 E HN -0.079 8.281 8.360 -0.000 0.000 0.454 155 Q N 0.677 120.492 119.800 0.025 0.000 2.152 155 Q HA -0.229 4.131 4.340 0.033 0.000 0.206 155 Q C 0.582 176.605 176.000 0.038 0.000 0.985 155 Q CA 2.030 57.869 55.803 0.059 0.000 0.863 155 Q CB 0.171 28.942 28.738 0.055 0.000 0.904 155 Q HN 0.409 8.679 8.270 -0.000 0.000 0.422 156 E N -0.487 119.718 120.200 0.009 0.000 2.333 156 E HA -0.086 4.284 4.350 0.033 0.000 0.198 156 E C 1.584 178.176 176.600 -0.013 0.000 1.007 156 E CA 1.009 57.410 56.400 0.002 0.000 0.845 156 E CB -0.339 29.356 29.700 -0.009 0.000 0.766 156 E HN 0.553 8.913 8.360 -0.000 0.000 0.507 157 G N 1.080 109.854 108.800 -0.044 0.000 2.776 157 G HA2 -0.125 3.855 3.960 0.033 0.000 0.209 157 G HA3 -0.125 3.855 3.960 0.033 0.000 0.209 157 G C 1.413 176.276 174.900 -0.062 0.000 1.145 157 G CA 0.442 45.489 45.100 -0.088 0.000 0.791 157 G HN 0.456 8.746 8.290 -0.000 0.000 0.530 158 I N -2.854 117.726 120.570 0.017 0.000 3.251 158 I HA 0.126 4.316 4.170 0.033 0.000 0.277 158 I C 1.357 177.532 176.117 0.096 0.000 1.268 158 I CA 0.490 61.846 61.300 0.092 0.000 1.449 158 I CB -0.008 38.110 38.000 0.198 0.000 1.083 158 I HN -0.206 8.004 8.210 -0.000 0.000 0.464 159 D N 2.400 122.836 120.400 0.061 0.000 2.133 159 D HA -0.179 4.481 4.640 0.033 0.000 0.195 159 D C 1.197 177.549 176.300 0.088 0.000 0.997 159 D CA 1.512 55.556 54.000 0.073 0.000 0.840 159 D CB -0.149 40.675 40.800 0.042 0.000 0.947 159 D HN 0.475 8.845 8.370 -0.000 0.000 0.452 160 D N -0.294 120.138 120.400 0.054 0.000 2.388 160 D HA 0.121 4.781 4.640 0.033 0.000 0.221 160 D C 0.435 176.779 176.300 0.074 0.000 1.133 160 D CA -0.224 53.819 54.000 0.072 0.000 0.831 160 D CB 0.240 41.065 40.800 0.042 0.000 0.962 160 D HN 0.260 8.630 8.370 -0.000 0.000 0.502 161 I N 1.266 121.834 120.570 -0.004 0.000 2.775 161 I HA -0.112 4.077 4.170 0.033 0.000 0.290 161 I C 0.927 176.917 176.117 -0.211 0.000 1.203 161 I CA 0.575 61.746 61.300 -0.216 0.000 1.433 161 I CB 0.401 38.131 38.000 -0.450 0.000 1.354 161 I HN -0.088 8.122 8.210 -0.000 0.000 0.579 162 H N 6.408 125.237 119.070 -0.402 0.000 2.562 162 H HA 0.315 4.890 4.556 0.031 0.000 0.314 162 H C -0.844 174.225 175.328 -0.431 0.000 1.079 162 H CA -0.587 55.293 56.048 -0.279 0.000 1.349 162 H CB 0.791 30.468 29.762 -0.143 0.000 1.432 162 H HN 0.328 8.608 8.280 -0.000 0.000 0.479 163 F N 3.373 123.377 119.950 0.090 0.000 2.470 163 F HA 0.303 4.844 4.527 0.025 0.000 0.329 163 F C -1.514 174.305 175.800 0.032 0.000 1.072 163 F CA -2.084 55.949 58.000 0.054 0.000 0.989 163 F CB 0.724 39.744 39.000 0.035 0.000 1.193 163 F HN 0.476 8.776 8.300 -0.000 0.000 0.481 164 P HA 0.444 4.864 4.420 -0.000 0.000 0.276 164 P C -1.165 176.219 177.300 0.140 0.000 1.244 164 P CA -0.398 62.847 63.100 0.240 0.000 0.801 164 P CB 1.245 33.032 31.700 0.145 0.000 1.006 165 C N -0.371 119.020 119.300 0.152 0.000 3.311 165 C HA 0.674 5.154 4.460 0.033 0.000 0.325 165 C C -0.994 174.054 174.990 0.097 0.000 1.352 165 C CA -1.105 57.952 59.018 0.064 0.000 1.308 165 C CB 0.437 28.152 27.740 -0.042 0.000 1.619 165 C HN 0.595 8.825 8.230 -0.000 0.000 0.469 166 L N 1.565 122.830 121.223 0.070 0.000 2.264 166 L HA 0.672 5.032 4.340 0.033 0.000 0.289 166 L C -0.274 176.673 176.870 0.128 0.000 1.044 166 L CA 0.206 55.100 54.840 0.091 0.000 0.807 166 L CB 0.553 42.647 42.059 0.059 0.000 1.192 166 L HN 0.986 9.216 8.230 -0.000 0.000 0.425 167 C N 4.794 124.191 119.300 0.162 0.000 2.273 167 C HA 0.540 5.020 4.460 0.033 0.000 0.328 167 C C -0.039 175.085 174.990 0.222 0.000 1.275 167 C CA -0.470 58.664 59.018 0.193 0.000 1.704 167 C CB 0.394 28.113 27.740 -0.036 0.000 2.326 167 C HN 0.792 9.022 8.230 -0.000 0.000 0.517 168 Q N 2.143 122.108 119.800 0.276 0.000 2.304 168 Q HA 0.298 4.658 4.340 0.033 0.000 0.270 168 Q C -0.584 175.612 176.000 0.327 0.000 1.035 168 Q CA -0.507 55.436 55.803 0.235 0.000 0.781 168 Q CB 1.003 29.825 28.738 0.140 0.000 1.261 168 Q HN 0.884 9.154 8.270 -0.000 0.000 0.444 169 H N 2.692 121.898 119.070 0.228 0.000 3.094 169 H HA -0.060 4.515 4.556 0.031 0.000 0.320 169 H C -1.627 173.842 175.328 0.235 0.000 1.000 169 H CA 0.819 57.023 56.048 0.260 0.000 1.413 169 H CB 0.264 30.139 29.762 0.187 0.000 1.405 169 H HN 0.568 8.848 8.280 -0.000 0.000 0.586 170 Y N 6.150 126.209 120.300 -0.401 0.000 2.359 170 Y HA 0.216 4.785 4.550 0.031 0.000 0.334 170 Y C -0.557 175.105 175.900 -0.397 0.000 1.058 170 Y CA -0.559 57.381 58.100 -0.267 0.000 1.244 170 Y CB 0.256 38.631 38.460 -0.142 0.000 1.187 170 Y HN 0.521 8.801 8.280 -0.000 0.000 0.510 171 I N 6.287 126.586 120.570 -0.452 0.000 2.336 171 I HA 0.121 4.311 4.170 0.033 0.000 0.292 171 I C -0.507 175.588 176.117 -0.036 0.000 0.991 171 I CA -0.843 60.360 61.300 -0.161 0.000 1.227 171 I CB 1.077 39.017 38.000 -0.099 0.000 1.366 171 I HN 0.636 8.846 8.210 -0.000 0.000 0.466 172 N N 6.495 125.262 118.700 0.112 0.000 2.406 172 N HA 0.060 4.820 4.740 0.033 0.000 0.265 172 N C 0.754 176.320 175.510 0.093 0.000 1.203 172 N CA 0.067 53.188 53.050 0.118 0.000 0.945 172 N CB 0.224 38.759 38.487 0.081 0.000 1.165 172 N HN 0.485 8.865 8.380 -0.000 0.000 0.485 173 H N 0.710 119.770 119.070 -0.018 0.000 2.662 173 H HA 0.251 4.827 4.556 0.035 0.000 0.268 173 H C -0.454 174.874 175.328 0.000 0.000 1.152 173 H CA -0.523 55.514 56.048 -0.019 0.000 1.072 173 H CB -0.008 29.722 29.762 -0.054 0.000 1.660 173 H HN 0.248 8.528 8.280 -0.000 0.000 0.584 174 N N 1.708 120.307 118.700 -0.169 0.000 2.725 174 N HA -0.259 4.501 4.740 0.033 0.000 0.249 174 N C -0.057 175.361 175.510 -0.152 0.000 1.103 174 N CA 1.293 54.273 53.050 -0.116 0.000 0.707 174 N CB -1.854 36.615 38.487 -0.029 0.000 1.043 174 N HN 0.653 9.033 8.380 -0.000 0.000 0.553 175 N N -1.050 117.439 118.700 -0.352 0.000 2.754 175 N HA -0.213 4.546 4.740 0.033 0.000 0.248 175 N C -1.402 174.081 175.510 -0.045 0.000 1.093 175 N CA 1.440 54.367 53.050 -0.206 0.000 0.699 175 N CB -0.611 37.820 38.487 -0.092 0.000 1.016 175 N HN 0.611 8.991 8.380 -0.000 0.000 0.552 176 K N 0.383 120.813 120.400 0.049 0.000 2.482 176 K HA 0.552 4.892 4.320 0.033 0.000 0.251 176 K C -0.737 175.928 176.600 0.108 0.000 0.936 176 K CA -0.666 55.660 56.287 0.064 0.000 0.791 176 K CB 2.249 34.764 32.500 0.024 0.000 1.213 176 K HN 0.229 8.479 8.250 -0.000 0.000 0.428 177 I N 2.370 122.939 120.570 -0.002 0.000 2.545 177 I HA 0.326 4.516 4.170 0.033 0.000 0.292 177 I C -1.112 174.861 176.117 -0.241 0.000 1.040 177 I CA -1.096 60.133 61.300 -0.118 0.000 1.068 177 I CB 1.769 39.719 38.000 -0.083 0.000 1.251 177 I HN 0.270 8.480 8.210 -0.000 0.000 0.424 178 V N 7.266 126.877 119.914 -0.506 0.000 2.407 178 V HA 0.385 4.524 4.120 0.033 0.000 0.278 178 V C -0.240 175.512 176.094 -0.571 0.000 1.037 178 V CA -0.609 61.301 62.300 -0.650 0.000 0.900 178 V CB 1.265 32.333 31.823 -1.260 0.000 0.983 178 V HN 0.601 8.791 8.190 -0.000 0.000 0.459 179 K N 3.978 124.157 120.400 -0.368 0.000 2.307 179 K HA 0.674 5.014 4.320 0.033 0.000 0.263 179 K C -1.287 175.030 176.600 -0.473 0.000 0.973 179 K CA -0.605 55.410 56.287 -0.454 0.000 0.846 179 K CB 2.198 34.411 32.500 -0.478 0.000 1.100 179 K HN 0.437 8.687 8.250 -0.000 0.000 0.438 180 V N 4.739 124.401 119.914 -0.419 0.000 2.378 180 V HA 0.387 4.527 4.120 0.033 0.000 0.288 180 V C -0.875 175.048 176.094 -0.285 0.000 1.016 180 V CA -0.843 61.362 62.300 -0.159 0.000 0.840 180 V CB 0.366 32.249 31.823 0.099 0.000 0.994 180 V HN 0.535 8.725 8.190 -0.000 0.000 0.431 181 F N 3.131 123.180 119.950 0.166 0.000 2.420 181 F HA 0.618 5.165 4.527 0.034 0.000 0.342 181 F C 0.421 176.376 175.800 0.258 0.000 1.113 181 F CA -0.640 57.418 58.000 0.097 0.000 1.059 181 F CB 1.279 40.314 39.000 0.058 0.000 1.128 181 F HN 0.354 8.654 8.300 -0.000 0.000 0.475 182 C N 4.453 124.001 119.300 0.414 0.000 2.455 182 C HA 0.641 5.121 4.460 0.033 0.000 0.320 182 C C 0.133 175.340 174.990 0.361 0.000 1.226 182 C CA -1.117 58.105 59.018 0.340 0.000 1.569 182 C CB 0.771 28.629 27.740 0.197 0.000 2.200 182 C HN 0.674 8.904 8.230 -0.000 0.000 0.491 183 I N 3.591 124.266 120.570 0.176 0.000 2.503 183 I HA 0.465 4.655 4.170 0.033 0.000 0.277 183 I C 1.079 177.156 176.117 -0.067 0.000 1.078 183 I CA 0.526 61.788 61.300 -0.064 0.000 1.184 183 I CB 0.066 37.839 38.000 -0.379 0.000 1.353 183 I HN 1.070 9.280 8.210 -0.000 0.000 0.490 184 G N 5.261 114.051 108.800 -0.017 0.000 2.622 184 G HA2 -0.396 3.583 3.960 0.033 0.000 0.307 184 G HA3 -0.396 3.583 3.960 0.033 0.000 0.307 184 G C 0.572 175.506 174.900 0.056 0.000 1.226 184 G CA 0.924 46.027 45.100 0.005 0.000 0.997 184 G HN 0.643 8.933 8.290 -0.000 0.000 0.551 185 N N 0.674 119.407 118.700 0.054 0.000 2.494 185 N HA 0.165 4.924 4.740 0.033 0.000 0.182 185 N C 0.482 176.050 175.510 0.096 0.000 1.076 185 N CA 0.929 54.033 53.050 0.091 0.000 0.908 185 N CB 0.113 38.645 38.487 0.075 0.000 0.967 185 N HN 0.458 8.838 8.380 -0.000 0.000 0.449 186 T N 1.745 116.334 114.554 0.058 0.000 2.761 186 T HA 0.295 4.665 4.350 0.033 0.000 0.296 186 T C -0.070 174.741 174.700 0.184 0.000 0.934 186 T CA -0.037 62.112 62.100 0.082 0.000 1.091 186 T CB 0.638 69.483 68.868 -0.038 0.000 0.896 186 T HN 0.039 8.279 8.240 -0.000 0.000 0.515 187 L N 3.184 124.558 121.223 0.252 0.000 2.342 187 L HA 0.667 5.027 4.340 0.033 0.000 0.271 187 L C 0.032 177.060 176.870 0.264 0.000 1.008 187 L CA -1.059 53.987 54.840 0.344 0.000 0.818 187 L CB 2.033 44.376 42.059 0.473 0.000 1.296 187 L HN 0.462 8.692 8.230 -0.000 0.000 0.427 188 K N 1.952 122.553 120.400 0.335 0.000 2.427 188 K HA 0.544 4.884 4.320 0.033 0.000 0.252 188 K C -1.886 174.885 176.600 0.285 0.000 0.931 188 K CA -0.588 55.779 56.287 0.133 0.000 0.793 188 K CB 2.064 34.744 32.500 0.300 0.000 1.211 188 K HN 0.538 8.788 8.250 -0.000 0.000 0.426 189 W N 2.304 123.719 121.300 0.191 0.000 3.031 189 W HA 0.526 5.206 4.660 0.033 0.000 0.337 189 W C -1.471 175.088 176.519 0.067 0.000 1.187 189 W CA -0.715 56.675 57.345 0.075 0.000 1.166 189 W CB 0.596 30.074 29.460 0.030 0.000 1.437 189 W HN 0.686 8.866 8.180 -0.000 0.000 0.551 190 Q N -0.018 119.948 119.800 0.277 0.000 2.630 190 Q HA 0.715 5.075 4.340 0.033 0.000 0.295 190 Q C -1.327 174.714 176.000 0.069 0.000 0.944 190 Q CA -1.019 54.893 55.803 0.182 0.000 0.766 190 Q CB 2.150 30.978 28.738 0.150 0.000 1.471 190 Q HN 0.442 8.712 8.270 -0.000 0.000 0.416 191 T N 1.050 115.632 114.554 0.046 0.000 2.859 191 T HA 0.680 5.050 4.350 0.033 0.000 0.281 191 T C -0.609 174.090 174.700 -0.002 0.000 1.005 191 T CA -0.755 61.336 62.100 -0.015 0.000 1.025 191 T CB 1.100 69.962 68.868 -0.009 0.000 0.977 191 T HN 0.417 8.657 8.240 -0.000 0.000 0.458 192 R N 0.548 121.037 120.500 -0.019 0.000 2.867 192 R HA 0.628 4.987 4.340 0.033 0.000 0.268 192 R C 0.218 176.517 176.300 -0.001 0.000 1.014 192 R CA -1.023 55.076 56.100 -0.001 0.000 0.946 192 R CB 1.315 31.622 30.300 0.011 0.000 1.208 192 R HN 0.808 9.078 8.270 -0.000 0.000 0.477 193 T N -1.849 112.706 114.554 0.001 0.000 2.734 193 T HA 0.125 4.495 4.350 0.033 0.000 0.314 193 T C 0.611 175.330 174.700 0.033 0.000 1.057 193 T CA -0.160 61.943 62.100 0.006 0.000 1.047 193 T CB 1.384 70.243 68.868 -0.014 0.000 0.991 193 T HN 0.515 8.755 8.240 -0.000 0.000 0.540 194 S N 0.085 115.818 115.700 0.055 0.000 3.896 194 S HA 0.579 5.069 4.470 0.033 0.000 0.190 194 S C -1.187 173.464 174.600 0.085 0.000 1.171 194 S CA -0.743 57.528 58.200 0.117 0.000 1.368 194 S CB 0.002 63.369 63.200 0.279 0.000 1.688 194 S HN 0.678 8.988 8.310 -0.000 0.000 0.791 195 L N 2.775 124.067 121.223 0.114 0.000 2.354 195 L HA 0.604 4.964 4.340 0.033 0.000 0.264 195 L C -2.437 174.435 176.870 0.003 0.000 1.008 195 L CA -2.466 52.396 54.840 0.038 0.000 0.819 195 L CB 2.373 44.513 42.059 0.136 0.000 1.339 195 L HN 0.421 8.651 8.230 -0.000 0.000 0.420 196 P HA 0.038 4.458 4.420 -0.000 0.000 0.272 196 P C -1.104 176.259 177.300 0.105 0.000 1.230 196 P CA -0.485 62.661 63.100 0.076 0.000 0.788 196 P CB 0.390 32.186 31.700 0.160 0.000 0.949 197 N N -0.014 118.720 118.700 0.057 0.000 2.412 197 N HA 0.108 4.868 4.740 0.033 0.000 0.254 197 N C 0.079 175.642 175.510 0.088 0.000 1.232 197 N CA 0.100 53.197 53.050 0.078 0.000 0.880 197 N CB -0.019 38.474 38.487 0.010 0.000 1.076 197 N HN 0.244 8.624 8.380 -0.000 0.000 0.458 198 V N -0.019 119.893 119.914 -0.003 0.000 2.881 198 V HA 0.592 4.731 4.120 0.033 0.000 0.316 198 V C -0.566 175.389 176.094 -0.231 0.000 1.070 198 V CA -0.763 61.490 62.300 -0.077 0.000 0.976 198 V CB 1.675 33.319 31.823 -0.299 0.000 1.038 198 V HN 0.623 8.813 8.190 -0.000 0.000 0.446 199 H N 1.411 120.449 119.070 -0.052 0.000 2.538 199 H HA 0.620 5.196 4.556 0.034 0.000 0.353 199 H C -0.350 174.939 175.328 -0.066 0.000 1.109 199 H CA -0.566 55.461 56.048 -0.035 0.000 1.192 199 H CB 1.797 31.554 29.762 -0.010 0.000 1.555 199 H HN 0.616 8.896 8.280 -0.000 0.000 0.518 200 R N 2.087 122.610 120.500 0.039 0.000 3.235 200 R HA 0.106 4.466 4.340 0.033 0.000 0.232 200 R C 0.217 176.528 176.300 0.019 0.000 1.475 200 R CA -0.102 55.995 56.100 -0.004 0.000 1.405 200 R CB -0.283 30.008 30.300 -0.014 0.000 1.266 200 R HN 0.737 9.007 8.270 -0.000 0.000 0.650 201 C N -1.472 117.838 119.300 0.017 0.000 2.697 201 C HA 0.431 4.911 4.460 0.033 0.000 0.267 201 C C 1.439 176.424 174.990 -0.008 0.000 1.278 201 C CA 0.252 59.277 59.018 0.012 0.000 1.708 201 C CB -0.372 27.373 27.740 0.008 0.000 1.860 201 C HN 0.831 9.061 8.230 -0.000 0.000 0.589 202 G N 0.831 109.618 108.800 -0.022 0.000 2.545 202 G HA2 -0.089 3.891 3.960 0.033 0.000 0.195 202 G HA3 -0.089 3.891 3.960 0.033 0.000 0.195 202 G C -0.179 174.693 174.900 -0.046 0.000 1.009 202 G CA -0.017 45.067 45.100 -0.028 0.000 0.703 202 G HN 0.384 8.674 8.290 -0.000 0.000 0.479 203 I N 2.006 122.540 120.570 -0.061 0.000 2.710 203 I HA 0.138 4.328 4.170 0.033 0.000 0.286 203 I C 1.440 177.487 176.117 -0.117 0.000 1.181 203 I CA 0.365 61.612 61.300 -0.089 0.000 1.430 203 I CB 1.109 39.043 38.000 -0.110 0.000 1.367 203 I HN 0.064 8.274 8.210 -0.000 0.000 0.577 204 K N 3.771 124.101 120.400 -0.117 0.000 2.186 204 K HA 0.061 4.400 4.320 0.033 0.000 0.202 204 K C 0.528 177.016 176.600 -0.186 0.000 1.052 204 K CA 0.538 56.751 56.287 -0.124 0.000 0.965 204 K CB -0.017 32.431 32.500 -0.088 0.000 0.746 204 K HN 0.799 9.049 8.250 -0.000 0.000 0.457 205 S N -0.927 114.640 115.700 -0.222 0.000 2.595 205 S HA 0.558 5.048 4.470 0.033 0.000 0.270 205 S C -0.655 173.727 174.600 -0.364 0.000 1.145 205 S CA -0.853 57.169 58.200 -0.295 0.000 0.825 205 S CB 1.494 64.549 63.200 -0.242 0.000 1.107 205 S HN -0.032 8.278 8.310 -0.000 0.000 0.461 206 V N -1.643 117.971 119.914 -0.499 0.000 3.130 206 V HA 0.834 4.974 4.120 0.033 0.000 0.310 206 V C -1.674 174.184 176.094 -0.393 0.000 1.158 206 V CA -0.785 61.114 62.300 -0.668 0.000 1.029 206 V CB 1.946 32.806 31.823 -1.605 0.000 1.057 206 V HN 1.007 9.197 8.190 -0.000 0.000 0.436 207 D N 1.331 121.645 120.400 -0.143 0.000 2.671 207 D HA 0.753 5.413 4.640 0.033 0.000 0.232 207 D C -1.345 175.237 176.300 0.470 0.000 1.114 207 D CA 0.141 54.194 54.000 0.089 0.000 0.858 207 D CB 2.878 43.680 40.800 0.004 0.000 1.544 207 D HN 0.785 9.155 8.370 -0.000 0.000 0.471 208 F N -0.946 119.109 119.950 0.176 0.000 2.665 208 F HA 0.376 4.922 4.527 0.033 0.000 0.308 208 F C -1.501 174.336 175.800 0.061 0.000 1.112 208 F CA -1.082 57.031 58.000 0.189 0.000 0.972 208 F CB 1.501 40.658 39.000 0.262 0.000 1.295 208 F HN 0.021 8.321 8.300 -0.000 0.000 0.440 209 N N 2.328 121.042 118.700 0.023 0.000 2.438 209 N HA 0.145 4.905 4.740 0.033 0.000 0.282 209 N C 0.053 175.603 175.510 0.067 0.000 1.037 209 N CA -0.136 52.786 53.050 -0.213 0.000 0.942 209 N CB 1.596 39.847 38.487 -0.392 0.000 1.136 209 N HN 0.969 9.349 8.380 -0.000 0.000 0.481 210 N N 2.259 120.953 118.700 -0.009 0.000 2.443 210 N HA -0.106 4.654 4.740 0.033 0.000 0.184 210 N C 0.919 176.496 175.510 0.112 0.000 1.037 210 N CA 1.391 54.572 53.050 0.219 0.000 0.896 210 N CB 0.237 38.827 38.487 0.171 0.000 0.959 210 N HN 0.615 8.995 8.380 -0.000 0.000 0.442 211 Q N -1.550 118.258 119.800 0.013 0.000 2.425 211 Q HA 0.068 4.428 4.340 0.033 0.000 0.204 211 Q C -0.105 176.099 176.000 0.341 0.000 0.933 211 Q CA 0.517 56.371 55.803 0.085 0.000 0.939 211 Q CB 0.355 29.105 28.738 0.020 0.000 1.044 211 Q HN 0.585 8.855 8.270 -0.000 0.000 0.513 212 H N -0.084 119.075 119.070 0.150 0.000 2.439 212 H HA 0.190 4.767 4.556 0.034 0.000 0.230 212 H C 0.554 175.970 175.328 0.146 0.000 1.420 212 H CA -0.276 55.870 56.048 0.163 0.000 1.305 212 H CB 0.486 30.384 29.762 0.226 0.000 1.667 212 H HN 0.086 8.366 8.280 -0.000 0.000 0.515 213 L N 1.005 122.357 121.223 0.215 0.000 2.362 213 L HA -0.157 4.203 4.340 0.033 0.000 0.219 213 L C 2.515 179.400 176.870 0.025 0.000 1.134 213 L CA 0.811 55.720 54.840 0.115 0.000 0.807 213 L CB -0.136 41.969 42.059 0.077 0.000 0.927 213 L HN 0.578 8.808 8.230 -0.000 0.000 0.447 214 E N -0.306 119.926 120.200 0.054 0.000 2.331 214 E HA -0.265 4.105 4.350 0.033 0.000 0.199 214 E C 0.885 177.468 176.600 -0.029 0.000 1.008 214 E CA 1.250 57.660 56.400 0.017 0.000 0.843 214 E CB -0.392 29.312 29.700 0.007 0.000 0.761 214 E HN 0.467 8.827 8.360 -0.000 0.000 0.507 215 D N 1.477 121.890 120.400 0.022 0.000 2.190 215 D HA -0.148 4.511 4.640 0.033 0.000 0.200 215 D C 2.013 178.184 176.300 -0.214 0.000 0.992 215 D CA 1.023 55.047 54.000 0.041 0.000 0.854 215 D CB -0.304 40.631 40.800 0.225 0.000 0.936 215 D HN 0.382 8.752 8.370 -0.000 0.000 0.462 216 I N 0.323 120.530 120.570 -0.605 0.000 2.614 216 I HA -0.189 4.001 4.170 0.033 0.000 0.258 216 I C 2.148 177.646 176.117 -1.031 0.000 1.189 216 I CA 0.358 60.732 61.300 -1.542 0.000 1.462 216 I CB -0.105 36.715 38.000 -1.965 0.000 1.092 216 I HN -0.017 8.193 8.210 -0.000 0.000 0.442 217 L N -0.200 120.761 121.223 -0.436 0.000 2.265 217 L HA -0.164 4.196 4.340 0.033 0.000 0.215 217 L C 2.114 178.938 176.870 -0.076 0.000 1.117 217 L CA 0.961 55.722 54.840 -0.132 0.000 0.782 217 L CB -0.406 41.658 42.059 0.008 0.000 0.914 217 L HN 0.149 8.379 8.230 -0.000 0.000 0.441 218 S N -2.114 113.549 115.700 -0.062 0.000 2.556 218 S HA 0.044 4.534 4.470 0.033 0.000 0.216 218 S C 0.102 174.819 174.600 0.195 0.000 0.970 218 S CA -0.478 57.763 58.200 0.069 0.000 0.912 218 S CB -0.021 63.235 63.200 0.092 0.000 0.790 218 S HN 0.248 8.558 8.310 -0.000 0.000 0.504 219 W N 3.508 124.762 121.300 -0.078 0.000 2.170 219 W HA 0.281 4.961 4.660 0.033 0.000 0.342 219 W C -2.483 174.001 176.519 -0.058 0.000 1.294 219 W CA -2.831 54.465 57.345 -0.082 0.000 1.246 219 W CB -1.063 28.314 29.460 -0.137 0.000 1.156 219 W HN 0.032 8.212 8.180 -0.000 0.000 0.572 220 P HA -0.023 4.397 4.420 -0.000 0.000 0.269 220 P C -0.186 177.156 177.300 0.070 0.000 1.209 220 P CA -0.212 62.930 63.100 0.070 0.000 0.776 220 P CB 0.477 32.183 31.700 0.010 0.000 0.876 221 E N 1.000 121.228 120.200 0.045 0.000 2.452 221 E HA 0.159 4.529 4.350 0.033 0.000 0.261 221 E C 1.038 177.646 176.600 0.014 0.000 0.987 221 E CA 0.982 57.401 56.400 0.031 0.000 0.926 221 E CB -0.415 29.296 29.700 0.017 0.000 0.934 221 E HN 0.736 9.096 8.360 -0.000 0.000 0.452 222 G N 2.441 111.243 108.800 0.004 0.000 2.254 222 G HA2 -0.291 3.689 3.960 0.033 0.000 0.225 222 G HA3 -0.291 3.689 3.960 0.033 0.000 0.225 222 G C 0.861 175.761 174.900 -0.001 0.000 1.003 222 G CA 0.129 45.214 45.100 -0.025 0.000 0.622 222 G HN 0.480 8.770 8.290 -0.000 0.000 0.507 223 V N 1.140 121.081 119.914 0.044 0.000 2.358 223 V HA 0.211 4.351 4.120 0.033 0.000 0.246 223 V C 1.521 177.730 176.094 0.192 0.000 1.047 223 V CA 1.874 64.221 62.300 0.078 0.000 1.035 223 V CB -0.215 31.622 31.823 0.023 0.000 0.658 223 V HN 0.476 8.666 8.190 -0.000 0.000 0.452 224 I N 0.463 121.137 120.570 0.174 0.000 2.404 224 I HA 0.298 4.488 4.170 0.033 0.000 0.293 224 I C -0.190 175.957 176.117 0.050 0.000 0.992 224 I CA -0.630 60.784 61.300 0.189 0.000 1.149 224 I CB 1.591 39.696 38.000 0.176 0.000 1.315 224 I HN 0.060 8.270 8.210 -0.000 0.000 0.446 225 D N 4.813 125.224 120.400 0.018 0.000 2.472 225 D HA -0.031 4.628 4.640 0.033 0.000 0.237 225 D C 1.088 177.384 176.300 -0.006 0.000 1.141 225 D CA 0.381 54.328 54.000 -0.089 0.000 0.875 225 D CB 0.993 41.796 40.800 0.005 0.000 1.192 225 D HN 0.420 8.790 8.370 -0.000 0.000 0.450 226 K N 1.834 122.216 120.400 -0.030 0.000 2.103 226 K HA -0.248 4.092 4.320 0.033 0.000 0.207 226 K C 1.679 178.282 176.600 0.005 0.000 1.048 226 K CA 1.146 57.431 56.287 -0.004 0.000 0.930 226 K CB -0.007 32.484 32.500 -0.016 0.000 0.716 226 K HN 0.447 8.697 8.250 -0.000 0.000 0.444 227 Q N 1.352 121.152 119.800 0.001 0.000 2.119 227 Q HA -0.140 4.220 4.340 0.033 0.000 0.201 227 Q C 1.189 177.188 176.000 -0.000 0.000 0.972 227 Q CA 1.658 57.460 55.803 -0.002 0.000 0.847 227 Q CB 0.010 28.748 28.738 0.000 0.000 0.903 227 Q HN 0.201 8.471 8.270 -0.000 0.000 0.433 228 D N -0.390 120.028 120.400 0.029 0.000 2.178 228 D HA -0.096 4.564 4.640 0.033 0.000 0.202 228 D C 1.744 178.065 176.300 0.036 0.000 0.974 228 D CA 0.904 54.929 54.000 0.042 0.000 0.841 228 D CB -0.070 40.794 40.800 0.106 0.000 0.953 228 D HN 0.361 8.731 8.370 -0.000 0.000 0.478 229 I N 0.605 121.225 120.570 0.083 0.000 2.226 229 I HA -0.222 3.968 4.170 0.033 0.000 0.245 229 I C 2.350 178.437 176.117 -0.051 0.000 1.100 229 I CA 0.725 62.083 61.300 0.096 0.000 1.374 229 I CB -0.131 37.941 38.000 0.121 0.000 1.057 229 I HN -0.047 8.163 8.210 -0.000 0.000 0.413 230 I N 1.081 121.626 120.570 -0.043 0.000 2.163 230 I HA -0.308 3.882 4.170 0.033 0.000 0.243 230 I C 2.633 178.682 176.117 -0.114 0.000 1.085 230 I CA 1.883 63.144 61.300 -0.066 0.000 1.347 230 I CB -0.510 37.465 38.000 -0.041 0.000 1.044 230 I HN 0.373 8.583 8.210 -0.000 0.000 0.408 231 E N 0.760 120.889 120.200 -0.119 0.000 2.274 231 E HA -0.179 4.191 4.350 0.033 0.000 0.194 231 E C 1.091 177.550 176.600 -0.235 0.000 0.996 231 E CA 1.426 57.742 56.400 -0.140 0.000 0.840 231 E CB -0.307 29.335 29.700 -0.098 0.000 0.772 231 E HN 0.603 8.963 8.360 -0.000 0.000 0.491 232 N N -0.410 118.050 118.700 -0.401 0.000 2.181 232 N HA 0.124 4.884 4.740 0.033 0.000 0.207 232 N C 1.068 176.084 175.510 -0.824 0.000 1.182 232 N CA 0.144 52.778 53.050 -0.693 0.000 0.893 232 N CB 0.896 38.750 38.487 -1.055 0.000 1.032 232 N HN -0.068 8.312 8.380 -0.000 0.000 0.513 233 S N 0.630 115.998 115.700 -0.553 0.000 2.406 233 S HA -0.016 4.474 4.470 0.033 0.000 0.228 233 S C 2.121 176.603 174.600 -0.198 0.000 1.020 233 S CA 0.951 58.954 58.200 -0.328 0.000 0.965 233 S CB -0.146 62.977 63.200 -0.128 0.000 0.798 233 S HN 0.484 8.794 8.310 -0.000 0.000 0.488 234 A N 2.638 125.351 122.820 -0.177 0.000 1.972 234 A HA -0.171 4.169 4.320 0.033 0.000 0.219 234 A C 1.633 179.150 177.584 -0.112 0.000 1.169 234 A CA 1.814 53.781 52.037 -0.117 0.000 0.635 234 A CB -0.784 18.156 19.000 -0.100 0.000 0.810 234 A HN 0.769 8.919 8.150 -0.000 0.000 0.446 235 N N -2.020 116.588 118.700 -0.154 0.000 2.322 235 N HA 0.099 4.859 4.740 0.033 0.000 0.194 235 N C 0.368 175.820 175.510 -0.096 0.000 1.126 235 N CA 0.144 53.123 53.050 -0.118 0.000 0.845 235 N CB -0.188 38.224 38.487 -0.125 0.000 0.976 235 N HN 0.366 8.746 8.380 -0.000 0.000 0.475 236 R N -1.278 119.162 120.500 -0.100 0.000 3.641 236 R HA -0.223 4.137 4.340 0.033 0.000 0.286 236 R C -0.780 175.584 176.300 0.108 0.000 1.153 236 R CA 0.716 56.819 56.100 0.005 0.000 0.775 236 R CB -2.755 27.552 30.300 0.010 0.000 1.215 236 R HN 0.371 8.641 8.270 -0.000 0.000 0.474 237 F N -2.720 117.160 119.950 -0.117 0.000 3.048 237 F HA -0.263 4.284 4.527 0.034 0.000 0.287 237 F C 1.546 177.282 175.800 -0.107 0.000 0.796 237 F CA 1.298 59.212 58.000 -0.144 0.000 1.111 237 F CB -1.595 37.262 39.000 -0.238 0.000 1.320 237 F HN 0.459 8.759 8.300 -0.000 0.000 0.430 238 G N 0.292 109.113 108.800 0.036 0.000 2.614 238 G HA2 0.251 4.231 3.960 0.033 0.000 0.239 238 G HA3 0.251 4.231 3.960 0.033 0.000 0.239 238 G C 0.156 175.067 174.900 0.017 0.000 1.240 238 G CA 0.234 45.351 45.100 0.029 0.000 0.842 238 G HN 0.377 8.667 8.290 -0.000 0.000 0.584 239 S N 0.071 115.789 115.700 0.029 0.000 2.503 239 S HA 0.157 4.647 4.470 0.033 0.000 0.317 239 S C 0.444 175.052 174.600 0.013 0.000 1.162 239 S CA -0.348 57.867 58.200 0.026 0.000 1.124 239 S CB -0.368 62.856 63.200 0.039 0.000 1.207 239 S HN 0.554 8.864 8.310 -0.000 0.000 0.538 240 K N 4.642 125.042 120.400 -0.001 0.000 2.159 240 K HA 0.382 4.722 4.320 0.033 0.000 0.266 240 K C -0.151 176.448 176.600 -0.003 0.000 0.975 240 K CA -0.920 55.361 56.287 -0.010 0.000 0.865 240 K CB 0.830 33.311 32.500 -0.031 0.000 1.087 240 K HN 0.559 8.809 8.250 -0.000 0.000 0.446 241 I N 4.754 125.325 120.570 0.002 0.000 2.648 241 I HA 0.054 4.244 4.170 0.033 0.000 0.284 241 I C -0.734 175.384 176.117 0.001 0.000 1.153 241 I CA 0.362 61.667 61.300 0.009 0.000 1.426 241 I CB 0.267 38.273 38.000 0.011 0.000 1.381 241 I HN 0.585 8.795 8.210 -0.000 0.000 0.571 242 L N 5.598 126.825 121.223 0.006 0.000 2.293 242 L HA 0.511 4.871 4.340 0.033 0.000 0.264 242 L C 0.230 177.109 176.870 0.015 0.000 1.029 242 L CA -1.144 53.698 54.840 0.003 0.000 0.897 242 L CB 0.733 42.791 42.059 -0.002 0.000 1.497 242 L HN 0.486 8.716 8.230 -0.000 0.000 0.495 243 E N 0.498 120.707 120.200 0.015 0.000 2.422 243 E HA -0.043 4.326 4.350 0.033 0.000 0.260 243 E C -0.647 175.983 176.600 0.049 0.000 1.108 243 E CA -0.116 56.301 56.400 0.028 0.000 0.943 243 E CB 0.389 30.102 29.700 0.022 0.000 0.961 243 E HN 0.384 8.744 8.360 -0.000 0.000 0.443 244 D N 2.429 122.874 120.400 0.075 0.000 2.525 244 D HA -0.069 4.591 4.640 0.033 0.000 0.235 244 D C -1.504 174.859 176.300 0.105 0.000 1.137 244 D CA -1.131 52.950 54.000 0.135 0.000 0.868 244 D CB 0.908 41.812 40.800 0.172 0.000 1.180 244 D HN 0.152 8.522 8.370 -0.000 0.000 0.465 245 P HA -0.078 4.342 4.420 -0.000 0.000 0.223 245 P C 1.743 179.042 177.300 -0.002 0.000 1.151 245 P CA 0.743 63.854 63.100 0.018 0.000 0.787 245 P CB 0.278 31.955 31.700 -0.040 0.000 0.788 246 I N -0.594 119.978 120.570 0.005 0.000 2.233 246 I HA -0.171 4.019 4.170 0.033 0.000 0.243 246 I C 2.602 178.734 176.117 0.024 0.000 1.093 246 I CA 1.056 62.352 61.300 -0.007 0.000 1.380 246 I CB -0.749 37.249 38.000 -0.004 0.000 1.067 246 I HN -0.178 8.032 8.210 -0.000 0.000 0.413 247 L N 0.420 121.674 121.223 0.051 0.000 2.131 247 L HA -0.181 4.178 4.340 0.033 0.000 0.210 247 L C 2.287 179.173 176.870 0.027 0.000 1.092 247 L CA 1.172 56.037 54.840 0.041 0.000 0.759 247 L CB -0.380 41.709 42.059 0.050 0.000 0.903 247 L HN 0.310 8.540 8.230 -0.000 0.000 0.435 248 L N -0.447 120.791 121.223 0.025 0.000 2.610 248 L HA -0.025 4.335 4.340 0.033 0.000 0.232 248 L C 0.357 177.235 176.870 0.013 0.000 1.149 248 L CA 0.303 55.153 54.840 0.016 0.000 0.872 248 L CB -0.581 41.486 42.059 0.014 0.000 0.992 248 L HN 0.440 8.670 8.230 -0.000 0.000 0.447 249 N N -1.465 117.242 118.700 0.012 0.000 2.741 249 N HA -0.242 4.518 4.740 0.033 0.000 0.250 249 N C 0.862 176.380 175.510 0.014 0.000 1.115 249 N CA 0.199 53.254 53.050 0.009 0.000 0.724 249 N CB -1.334 37.159 38.487 0.009 0.000 1.090 249 N HN 0.302 8.682 8.380 -0.000 0.000 0.558 250 L N -1.445 119.788 121.223 0.017 0.000 2.209 250 L HA 0.106 4.465 4.340 0.033 0.000 0.207 250 L C 1.326 178.234 176.870 0.063 0.000 1.094 250 L CA 1.142 56.004 54.840 0.037 0.000 0.790 250 L CB 0.246 42.319 42.059 0.023 0.000 0.932 250 L HN 0.383 8.613 8.230 -0.000 0.000 0.447 251 T N -2.239 112.332 114.554 0.029 0.000 2.661 251 T HA 0.422 4.792 4.350 0.033 0.000 0.305 251 T C -1.440 173.224 174.700 -0.060 0.000 1.441 251 T CA -0.197 61.914 62.100 0.019 0.000 0.999 251 T CB 1.525 70.477 68.868 0.140 0.000 1.650 251 T HN 0.108 8.348 8.240 -0.000 0.000 0.489 252 S N -0.235 115.402 115.700 -0.106 0.000 2.632 252 S HA 0.515 5.005 4.470 0.033 0.000 0.289 252 S C 0.864 175.312 174.600 -0.255 0.000 1.115 252 S CA -0.397 57.717 58.200 -0.144 0.000 0.889 252 S CB 1.756 64.900 63.200 -0.093 0.000 1.116 252 S HN 0.925 9.235 8.310 -0.000 0.000 0.486 253 E N 1.072 121.104 120.200 -0.279 0.000 2.058 253 E HA -0.167 4.203 4.350 0.033 0.000 0.194 253 E C 2.054 178.526 176.600 -0.213 0.000 0.997 253 E CA 1.529 57.705 56.400 -0.373 0.000 0.801 253 E CB -0.544 29.053 29.700 -0.171 0.000 0.746 253 E HN 0.802 9.162 8.360 -0.000 0.000 0.450 254 A N 1.017 123.763 122.820 -0.123 0.000 1.902 254 A HA -0.263 4.077 4.320 0.033 0.000 0.217 254 A C 2.083 179.609 177.584 -0.096 0.000 1.181 254 A CA 1.799 53.786 52.037 -0.083 0.000 0.623 254 A CB -0.668 18.296 19.000 -0.061 0.000 0.818 254 A HN 0.500 8.650 8.150 -0.000 0.000 0.443 255 E N -0.560 119.568 120.200 -0.120 0.000 2.051 255 E HA -0.206 4.164 4.350 0.033 0.000 0.192 255 E C 2.049 178.560 176.600 -0.148 0.000 0.991 255 E CA 1.517 57.836 56.400 -0.136 0.000 0.799 255 E CB -0.230 29.382 29.700 -0.147 0.000 0.748 255 E HN 0.648 9.008 8.360 -0.000 0.000 0.449 256 M N -0.033 119.473 119.600 -0.156 0.000 2.117 256 M HA -0.133 4.366 4.480 0.033 0.000 0.262 256 M C 2.450 178.734 176.300 -0.026 0.000 1.065 256 M CA 1.468 56.711 55.300 -0.095 0.000 1.114 256 M CB -0.161 32.319 32.600 -0.201 0.000 1.361 256 M HN 0.059 8.349 8.290 -0.000 0.000 0.408 257 R N 0.059 120.541 120.500 -0.030 0.000 2.092 257 R HA -0.161 4.199 4.340 0.033 0.000 0.231 257 R C 1.809 178.140 176.300 0.052 0.000 1.119 257 R CA 1.781 57.907 56.100 0.044 0.000 0.970 257 R CB -0.499 29.824 30.300 0.037 0.000 0.864 257 R HN 0.406 8.676 8.270 -0.000 0.000 0.440 258 D N 0.686 121.087 120.400 0.001 0.000 2.084 258 D HA -0.174 4.486 4.640 0.033 0.000 0.194 258 D C 1.843 178.169 176.300 0.043 0.000 0.990 258 D CA 0.789 54.799 54.000 0.017 0.000 0.826 258 D CB 0.029 40.809 40.800 -0.034 0.000 0.971 258 D HN 0.015 8.385 8.370 -0.000 0.000 0.453 259 L N 0.556 121.760 121.223 -0.031 0.000 2.012 259 L HA -0.015 4.345 4.340 0.033 0.000 0.210 259 L C 2.213 179.087 176.870 0.008 0.000 1.073 259 L CA 2.290 57.095 54.840 -0.060 0.000 0.748 259 L CB -1.117 40.831 42.059 -0.185 0.000 0.891 259 L HN 0.130 8.360 8.230 -0.000 0.000 0.431 260 A N -1.511 121.340 122.820 0.053 0.000 1.902 260 A HA -0.293 4.047 4.320 0.033 0.000 0.217 260 A C 2.318 179.959 177.584 0.096 0.000 1.181 260 A CA 1.853 53.941 52.037 0.085 0.000 0.623 260 A CB -1.236 17.841 19.000 0.129 0.000 0.818 260 A HN 0.656 8.806 8.150 -0.000 0.000 0.443 261 Y N 0.705 121.011 120.300 0.010 0.000 2.145 261 Y HA -0.199 4.371 4.550 0.035 0.000 0.286 261 Y C 2.255 178.152 175.900 -0.005 0.000 1.145 261 Y CA 2.285 60.389 58.100 0.006 0.000 1.148 261 Y CB -0.246 38.215 38.460 0.002 0.000 0.981 261 Y HN 0.272 8.552 8.280 -0.000 0.000 0.507 262 K N -0.671 119.748 120.400 0.032 0.000 2.063 262 K HA -0.163 4.177 4.320 0.033 0.000 0.208 262 K C 1.988 178.524 176.600 -0.107 0.000 1.048 262 K CA 1.755 58.009 56.287 -0.056 0.000 0.928 262 K CB -0.437 32.065 32.500 0.004 0.000 0.713 262 K HN 0.199 8.449 8.250 -0.000 0.000 0.442 263 V N 1.323 121.197 119.914 -0.066 0.000 2.307 263 V HA -0.234 3.906 4.120 0.033 0.000 0.245 263 V C 2.220 178.266 176.094 -0.079 0.000 1.045 263 V CA 1.626 63.892 62.300 -0.057 0.000 1.024 263 V CB -0.454 31.356 31.823 -0.022 0.000 0.651 263 V HN 0.281 8.471 8.190 -0.000 0.000 0.449 264 R N -0.847 119.594 120.500 -0.097 0.000 2.091 264 R HA -0.186 4.173 4.340 0.033 0.000 0.238 264 R C 2.357 178.559 176.300 -0.164 0.000 1.136 264 R CA 1.872 57.908 56.100 -0.108 0.000 0.959 264 R CB -0.802 29.442 30.300 -0.094 0.000 0.856 264 R HN 0.473 8.743 8.270 -0.000 0.000 0.437 265 C N -0.008 119.122 119.300 -0.283 0.000 2.446 265 C HA -0.025 4.455 4.460 0.033 0.000 0.277 265 C C 2.954 177.857 174.990 -0.146 0.000 1.275 265 C CA 0.683 59.539 59.018 -0.269 0.000 1.727 265 C CB -0.925 26.572 27.740 -0.405 0.000 2.010 265 C HN 0.593 8.823 8.230 -0.000 0.000 0.486 266 A N 0.062 122.810 122.820 -0.121 0.000 1.902 266 A HA -0.088 4.252 4.320 0.033 0.000 0.217 266 A C 2.018 179.570 177.584 -0.053 0.000 1.181 266 A CA 1.524 53.517 52.037 -0.073 0.000 0.623 266 A CB -0.486 18.477 19.000 -0.062 0.000 0.818 266 A HN 0.638 8.788 8.150 -0.000 0.000 0.443 267 L N -1.746 119.446 121.223 -0.052 0.000 2.554 267 L HA 0.221 4.581 4.340 0.033 0.000 0.225 267 L C 1.543 178.398 176.870 -0.025 0.000 1.104 267 L CA 0.464 55.285 54.840 -0.031 0.000 0.866 267 L CB -0.147 41.898 42.059 -0.023 0.000 1.047 267 L HN 0.579 8.809 8.230 -0.000 0.000 0.468 268 G N 1.427 110.203 108.800 -0.039 0.000 2.221 268 G HA2 -0.252 3.728 3.960 0.033 0.000 0.265 268 G HA3 -0.252 3.728 3.960 0.033 0.000 0.265 268 G C -0.183 174.712 174.900 -0.009 0.000 1.041 268 G CA 0.518 45.603 45.100 -0.026 0.000 0.807 268 G HN 0.193 8.483 8.290 -0.000 0.000 0.502 269 V N -0.637 119.267 119.914 -0.016 0.000 2.715 269 V HA 0.705 4.845 4.120 0.033 0.000 0.310 269 V C 0.756 176.849 176.094 -0.000 0.000 1.054 269 V CA -0.438 61.862 62.300 0.000 0.000 0.928 269 V CB 1.833 33.655 31.823 -0.001 0.000 1.007 269 V HN 0.252 8.442 8.190 -0.000 0.000 0.437 270 Q N 3.928 123.734 119.800 0.010 0.000 2.462 270 Q HA 0.358 4.718 4.340 0.033 0.000 0.224 270 Q C -0.078 175.932 176.000 0.017 0.000 0.911 270 Q CA 0.762 56.567 55.803 0.005 0.000 0.925 270 Q CB 0.525 29.256 28.738 -0.011 0.000 1.063 270 Q HN 0.636 8.906 8.270 -0.000 0.000 0.572 271 L N 2.223 123.453 121.223 0.011 0.000 2.272 271 L HA 0.395 4.754 4.340 0.033 0.000 0.284 271 L C -0.143 176.786 176.870 0.097 0.000 1.045 271 L CA -0.677 54.186 54.840 0.037 0.000 0.842 271 L CB 0.660 42.625 42.059 -0.156 0.000 1.224 271 L HN 0.186 8.416 8.230 -0.000 0.000 0.430 272 C N 0.408 119.785 119.300 0.128 0.000 3.311 272 C HA 0.948 5.428 4.460 0.033 0.000 0.325 272 C C 0.055 175.088 174.990 0.071 0.000 1.352 272 C CA -0.685 58.383 59.018 0.084 0.000 1.308 272 C CB 1.198 28.971 27.740 0.054 0.000 1.619 272 C HN 0.820 9.050 8.230 -0.000 0.000 0.469 273 G N 0.575 109.406 108.800 0.051 0.000 2.513 273 G HA2 0.750 4.730 3.960 0.033 0.000 0.317 273 G HA3 0.750 4.730 3.960 0.033 0.000 0.317 273 G C -1.401 173.480 174.900 -0.032 0.000 1.277 273 G CA -0.688 44.419 45.100 0.011 0.000 0.955 273 G HN 0.915 9.205 8.290 -0.000 0.000 0.484 274 I N 1.665 122.184 120.570 -0.086 0.000 2.406 274 I HA 0.286 4.476 4.170 0.033 0.000 0.290 274 I C -1.111 174.966 176.117 -0.068 0.000 0.999 274 I CA -0.869 60.416 61.300 -0.025 0.000 1.124 274 I CB 2.327 40.354 38.000 0.045 0.000 1.289 274 I HN 0.229 8.439 8.210 -0.000 0.000 0.441 275 D N 6.996 127.375 120.400 -0.035 0.000 2.256 275 D HA 0.500 5.160 4.640 0.033 0.000 0.240 275 D C -0.830 175.485 176.300 0.025 0.000 1.062 275 D CA 0.066 54.019 54.000 -0.079 0.000 0.832 275 D CB 1.720 42.479 40.800 -0.067 0.000 1.135 275 D HN 0.276 8.646 8.370 -0.000 0.000 0.484 276 F N 0.936 120.824 119.950 -0.103 0.000 2.599 276 F HA 0.701 5.247 4.527 0.032 0.000 0.311 276 F C -0.937 174.793 175.800 -0.118 0.000 1.076 276 F CA -1.253 56.683 58.000 -0.106 0.000 0.937 276 F CB 1.055 40.002 39.000 -0.088 0.000 1.282 276 F HN 0.244 8.544 8.300 -0.000 0.000 0.460 277 I N -0.363 120.268 120.570 0.101 0.000 3.108 277 I HA 0.716 4.906 4.170 0.033 0.000 0.312 277 I C -1.526 174.668 176.117 0.128 0.000 1.095 277 I CA -1.252 60.034 61.300 -0.022 0.000 1.000 277 I CB 2.696 40.468 38.000 -0.380 0.000 1.229 277 I HN 0.669 8.879 8.210 -0.000 0.000 0.454 278 K N 1.828 122.296 120.400 0.113 0.000 2.427 278 K HA 0.309 4.649 4.320 0.033 0.000 0.252 278 K C -1.198 175.463 176.600 0.103 0.000 0.931 278 K CA -0.658 55.694 56.287 0.109 0.000 0.793 278 K CB 2.543 35.114 32.500 0.119 0.000 1.211 278 K HN 0.643 8.893 8.250 -0.000 0.000 0.426 279 E N 2.332 122.579 120.200 0.079 0.000 2.415 279 E HA -0.105 4.265 4.350 0.033 0.000 0.260 279 E C -0.034 176.610 176.600 0.073 0.000 1.016 279 E CA 0.324 56.774 56.400 0.083 0.000 0.924 279 E CB 0.135 29.880 29.700 0.074 0.000 0.961 279 E HN 0.560 8.920 8.360 -0.000 0.000 0.459 280 N N 4.270 123.014 118.700 0.073 0.000 2.696 280 N HA -0.295 4.465 4.740 0.033 0.000 0.249 280 N C -0.808 174.732 175.510 0.049 0.000 1.090 280 N CA 1.667 54.748 53.050 0.052 0.000 0.716 280 N CB -1.066 37.447 38.487 0.042 0.000 1.020 280 N HN 0.877 9.257 8.380 -0.000 0.000 0.548 281 E N -2.908 117.331 120.200 0.065 0.000 3.370 281 E HA -0.317 4.053 4.350 0.033 0.000 0.291 281 E C -0.499 176.133 176.600 0.053 0.000 0.916 281 E CA 1.328 57.765 56.400 0.061 0.000 0.981 281 E CB -0.892 28.833 29.700 0.043 0.000 1.498 281 E HN 0.754 9.114 8.360 -0.000 0.000 0.452 282 Q N -1.045 118.784 119.800 0.049 0.000 2.451 282 Q HA 0.633 4.993 4.340 0.033 0.000 0.281 282 Q C 0.414 176.432 176.000 0.031 0.000 1.099 282 Q CA -0.359 55.465 55.803 0.035 0.000 0.806 282 Q CB 2.494 31.248 28.738 0.027 0.000 1.419 282 Q HN 0.176 8.446 8.270 -0.000 0.000 0.427 283 G N 1.391 110.200 108.800 0.015 0.000 2.568 283 G HA2 -0.222 3.758 3.960 0.033 0.000 0.222 283 G HA3 -0.222 3.758 3.960 0.033 0.000 0.222 283 G C -0.769 174.122 174.900 -0.015 0.000 1.321 283 G CA -0.767 44.334 45.100 0.002 0.000 0.893 283 G HN 0.573 8.863 8.290 -0.000 0.000 0.569 284 N N 2.411 121.094 118.700 -0.029 0.000 2.454 284 N HA 0.424 5.184 4.740 0.033 0.000 0.254 284 N C -2.265 173.196 175.510 -0.082 0.000 1.228 284 N CA -0.571 52.438 53.050 -0.067 0.000 0.900 284 N CB 0.344 38.794 38.487 -0.063 0.000 1.089 284 N HN 0.351 8.731 8.380 -0.000 0.000 0.449 285 P HA 0.095 4.515 4.420 -0.000 0.000 0.268 285 P C -0.530 176.679 177.300 -0.152 0.000 1.204 285 P CA 0.259 63.182 63.100 -0.295 0.000 0.768 285 P CB 0.477 31.615 31.700 -0.937 0.000 0.842 286 L N 3.273 124.492 121.223 -0.006 0.000 2.316 286 L HA 0.327 4.687 4.340 0.033 0.000 0.280 286 L C -0.167 176.726 176.870 0.038 0.000 1.006 286 L CA -1.119 53.718 54.840 -0.006 0.000 0.836 286 L CB 1.552 43.609 42.059 -0.003 0.000 1.221 286 L HN 0.062 8.292 8.230 -0.000 0.000 0.418 287 V N 4.267 124.186 119.914 0.008 0.000 2.479 287 V HA -0.001 4.139 4.120 0.033 0.000 0.281 287 V C 1.050 177.149 176.094 0.009 0.000 1.031 287 V CA 0.057 62.379 62.300 0.038 0.000 1.038 287 V CB 1.391 33.217 31.823 0.005 0.000 0.981 287 V HN 0.702 8.892 8.190 -0.000 0.000 0.478 288 V N 0.330 120.248 119.914 0.007 0.000 3.645 288 V HA 0.482 4.622 4.120 0.033 0.000 0.275 288 V C 0.205 176.299 176.094 -0.000 0.000 1.356 288 V CA 0.413 62.703 62.300 -0.017 0.000 1.051 288 V CB 0.576 32.362 31.823 -0.062 0.000 0.828 288 V HN 0.783 8.973 8.190 -0.000 0.000 0.441 289 D N -0.747 119.658 120.400 0.007 0.000 2.769 289 D HA 0.555 5.214 4.640 0.033 0.000 0.219 289 D C -1.564 174.745 176.300 0.014 0.000 1.245 289 D CA -0.085 53.924 54.000 0.015 0.000 0.801 289 D CB 2.554 43.367 40.800 0.022 0.000 1.598 289 D HN 0.004 8.374 8.370 -0.000 0.000 0.485 290 V N 3.444 123.369 119.914 0.017 0.000 2.577 290 V HA 0.600 4.740 4.120 0.033 0.000 0.303 290 V C -0.534 175.576 176.094 0.027 0.000 1.042 290 V CA -0.936 61.374 62.300 0.017 0.000 0.872 290 V CB 1.860 33.689 31.823 0.010 0.000 0.998 290 V HN 0.492 8.682 8.190 -0.000 0.000 0.423 291 N N 2.097 120.818 118.700 0.036 0.000 2.314 291 N HA 0.511 5.271 4.740 0.033 0.000 0.304 291 N C -0.732 174.810 175.510 0.054 0.000 1.073 291 N CA -0.437 52.645 53.050 0.053 0.000 0.822 291 N CB 2.752 41.281 38.487 0.070 0.000 1.280 291 N HN 0.471 8.851 8.380 -0.000 0.000 0.489 292 V N 3.301 123.243 119.914 0.046 0.000 2.614 292 V HA 0.231 4.371 4.120 0.033 0.000 0.291 292 V C 0.338 176.542 176.094 0.183 0.000 1.049 292 V CA -0.243 62.081 62.300 0.042 0.000 1.038 292 V CB -0.506 31.239 31.823 -0.130 0.000 0.980 292 V HN 0.762 8.952 8.190 -0.000 0.000 0.481 293 F N 7.520 127.497 119.950 0.044 0.000 2.594 293 F HA -0.150 4.396 4.527 0.032 0.000 0.208 293 F C -1.766 174.073 175.800 0.066 0.000 1.032 293 F CA -0.371 57.714 58.000 0.141 0.000 0.877 293 F CB 0.002 39.101 39.000 0.165 0.000 0.814 293 F HN 0.537 8.837 8.300 -0.000 0.000 0.844 294 P HA 0.046 4.466 4.420 -0.000 0.000 0.318 294 P C 0.351 177.642 177.300 -0.016 0.000 1.309 294 P CA 0.559 63.672 63.100 0.023 0.000 0.736 294 P CB 0.628 32.314 31.700 -0.024 0.000 1.440 295 S N -3.103 112.511 115.700 -0.144 0.000 2.548 295 S HA -0.010 4.480 4.470 0.033 0.000 0.215 295 S C 0.339 174.824 174.600 -0.192 0.000 0.976 295 S CA -0.184 57.938 58.200 -0.130 0.000 0.908 295 S CB -1.233 61.883 63.200 -0.141 0.000 0.781 295 S HN 0.362 8.672 8.310 -0.000 0.000 0.519 296 Y N 0.873 120.762 120.300 -0.684 0.000 3.929 296 Y HA -0.196 4.375 4.550 0.034 0.000 0.225 296 Y C 1.479 176.815 175.900 -0.939 0.000 1.200 296 Y CA 0.691 58.177 58.100 -1.024 0.000 1.791 296 Y CB -1.842 36.495 38.460 -0.205 0.000 1.561 296 Y HN 0.650 8.930 8.280 -0.000 0.000 0.657 297 G N -1.936 106.362 108.800 -0.837 0.000 2.195 297 G HA2 0.191 4.171 3.960 0.033 0.000 0.246 297 G HA3 0.191 4.171 3.960 0.033 0.000 0.246 297 G C 0.926 175.729 174.900 -0.162 0.000 0.984 297 G CA 0.567 45.491 45.100 -0.293 0.000 0.633 297 G HN 2.050 10.340 8.290 -0.000 0.000 0.525 298 G N -0.236 108.461 108.800 -0.171 0.000 2.722 298 G HA2 0.305 4.285 3.960 0.033 0.000 0.686 298 G HA3 0.305 4.285 3.960 0.033 0.000 0.686 298 G C 0.184 175.033 174.900 -0.085 0.000 1.282 298 G CA 0.838 45.871 45.100 -0.112 0.000 0.817 298 G HN 1.783 10.073 8.290 -0.000 0.000 0.605 299 K N -1.113 119.246 120.400 -0.068 0.000 3.419 299 K HA -0.135 4.204 4.320 0.033 0.000 0.272 299 K C 0.717 177.315 176.600 -0.003 0.000 0.973 299 K CA 0.895 57.170 56.287 -0.021 0.000 0.749 299 K CB -1.667 30.821 32.500 -0.020 0.000 1.403 299 K HN 2.091 10.341 8.250 -0.000 0.000 0.456 300 V N -1.309 118.623 119.914 0.029 0.000 2.997 300 V HA 0.386 4.526 4.120 0.033 0.000 0.311 300 V C 0.546 176.782 176.094 0.237 0.000 1.066 300 V CA -0.587 61.759 62.300 0.076 0.000 1.039 300 V CB 1.663 33.567 31.823 0.135 0.000 1.081 300 V HN 0.348 8.538 8.190 -0.000 0.000 0.467 301 D N 1.113 121.633 120.400 0.199 0.000 2.371 301 D HA 0.028 4.688 4.640 0.033 0.000 0.256 301 D C 0.592 177.132 176.300 0.400 0.000 1.193 301 D CA 0.028 54.178 54.000 0.250 0.000 0.881 301 D CB 0.859 41.747 40.800 0.145 0.000 1.143 301 D HN 0.674 9.044 8.370 -0.000 0.000 0.473 302 F N 4.250 124.287 119.950 0.144 0.000 2.095 302 F HA -0.237 4.310 4.527 0.033 0.000 0.298 302 F C 1.709 177.518 175.800 0.015 0.000 1.104 302 F CA 1.536 59.495 58.000 -0.068 0.000 1.232 302 F CB 0.225 39.007 39.000 -0.364 0.000 0.987 302 F HN 0.377 8.677 8.300 -0.000 0.000 0.475 303 D N -0.657 119.815 120.400 0.120 0.000 2.117 303 D HA -0.243 4.417 4.640 0.033 0.000 0.197 303 D C 1.815 178.035 176.300 -0.133 0.000 0.987 303 D CA 1.453 55.424 54.000 -0.048 0.000 0.829 303 D CB -0.908 39.896 40.800 0.007 0.000 0.961 303 D HN 0.558 8.928 8.370 -0.000 0.000 0.460 304 W N 1.024 122.235 121.300 -0.147 0.000 2.333 304 W HA -0.264 4.415 4.660 0.032 0.000 0.316 304 W C 2.151 178.559 176.519 -0.186 0.000 1.215 304 W CA 1.342 58.595 57.345 -0.154 0.000 1.278 304 W CB -0.866 28.550 29.460 -0.074 0.000 1.154 304 W HN -0.053 8.127 8.180 -0.000 0.000 0.486 305 F N 1.343 121.135 119.950 -0.263 0.000 2.095 305 F HA -0.278 4.269 4.527 0.032 0.000 0.298 305 F C 2.454 177.886 175.800 -0.614 0.000 1.104 305 F CA 3.381 61.046 58.000 -0.558 0.000 1.232 305 F CB -1.083 37.868 39.000 -0.080 0.000 0.987 305 F HN -0.121 8.179 8.300 -0.000 0.000 0.475 306 V N -1.592 117.999 119.914 -0.539 0.000 2.427 306 V HA -0.213 3.927 4.120 0.033 0.000 0.248 306 V C 2.141 177.920 176.094 -0.525 0.000 1.051 306 V CA 2.102 64.082 62.300 -0.533 0.000 1.048 306 V CB -1.113 30.463 31.823 -0.412 0.000 0.666 306 V HN 0.538 8.728 8.190 -0.000 0.000 0.456 307 E N 0.345 120.130 120.200 -0.692 0.000 2.077 307 E HA -0.223 4.147 4.350 0.033 0.000 0.193 307 E C 2.154 178.408 176.600 -0.576 0.000 0.989 307 E CA 1.312 57.290 56.400 -0.704 0.000 0.800 307 E CB 0.014 29.300 29.700 -0.689 0.000 0.746 307 E HN 0.498 8.858 8.360 -0.000 0.000 0.452 308 K N 0.247 120.204 120.400 -0.737 0.000 2.148 308 K HA -0.059 4.281 4.320 0.033 0.000 0.204 308 K C 2.170 178.396 176.600 -0.623 0.000 1.050 308 K CA 0.554 56.420 56.287 -0.703 0.000 0.942 308 K CB -0.492 31.415 32.500 -0.988 0.000 0.724 308 K HN 0.106 8.356 8.250 -0.000 0.000 0.446 309 V N 1.737 121.195 119.914 -0.759 0.000 2.343 309 V HA -0.234 3.906 4.120 0.033 0.000 0.247 309 V C 2.464 178.330 176.094 -0.380 0.000 1.051 309 V CA 1.949 63.890 62.300 -0.599 0.000 1.036 309 V CB -0.808 30.587 31.823 -0.714 0.000 0.654 309 V HN 0.269 8.459 8.190 -0.000 0.000 0.451 310 A N -0.164 122.377 122.820 -0.464 0.000 1.902 310 A HA -0.212 4.128 4.320 0.033 0.000 0.217 310 A C 2.171 179.527 177.584 -0.380 0.000 1.181 310 A CA 2.126 53.757 52.037 -0.676 0.000 0.623 310 A CB -0.612 17.610 19.000 -1.297 0.000 0.818 310 A HN 0.450 8.600 8.150 -0.000 0.000 0.443 311 L N -0.153 120.889 121.223 -0.301 0.000 2.012 311 L HA -0.201 4.159 4.340 0.033 0.000 0.210 311 L C 2.616 179.440 176.870 -0.078 0.000 1.073 311 L CA 2.351 57.104 54.840 -0.145 0.000 0.748 311 L CB -1.069 40.891 42.059 -0.165 0.000 0.891 311 L HN 0.553 8.783 8.230 -0.000 0.000 0.431 312 C N -1.194 118.032 119.300 -0.124 0.000 2.413 312 C HA -0.268 4.212 4.460 0.033 0.000 0.276 312 C C 2.776 177.761 174.990 -0.010 0.000 1.236 312 C CA 1.158 60.130 59.018 -0.077 0.000 1.735 312 C CB -1.244 26.418 27.740 -0.130 0.000 2.031 312 C HN 0.711 8.941 8.230 -0.000 0.000 0.474 313 Y N 2.157 122.409 120.300 -0.080 0.000 2.151 313 Y HA -0.229 4.341 4.550 0.033 0.000 0.284 313 Y C 2.794 178.731 175.900 0.062 0.000 1.166 313 Y CA 2.964 61.070 58.100 0.009 0.000 1.163 313 Y CB -0.664 37.832 38.460 0.060 0.000 0.974 313 Y HN 0.582 8.862 8.280 -0.000 0.000 0.511 314 T N -1.880 112.781 114.554 0.179 0.000 2.833 314 T HA -0.116 4.254 4.350 0.033 0.000 0.269 314 T C 0.805 175.499 174.700 -0.010 0.000 1.054 314 T CA 1.032 63.206 62.100 0.123 0.000 1.135 314 T CB -0.406 68.585 68.868 0.205 0.000 0.869 314 T HN 0.434 8.674 8.240 -0.000 0.000 0.466 315 E N 0.000 120.188 120.200 -0.020 0.000 2.725 315 E HA 0.000 4.370 4.350 0.033 0.000 0.291 315 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 315 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 315 E HN 0.000 8.360 8.360 -0.000 0.000 0.440