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 3lfx_1_D DATA FIRST_RESID 2 DATA SEQUENCE ESVYLFSSGT LKRKANTICL ETESGRKYIP VENVMDIKVF GEVDLNKRFL DATA SEQUENCE EFLSQKRIPI HFFNREGYYV GTFYPREYLN SGFLILKQAE HYINQEKRML DATA SEQUENCE IAREIVSRSF QNMVDFLKKR KVRADSLTRY KKKAEEASNV SELMGIEGNA DATA SEQUENCE REEYYSMIDS LVSDERFRIE KRTRRPPKNF ANTLISFGNS LLYTTVLSLI DATA SEQUENCE YQTHLDPRIG YLHETNFRRF SLNLDIAELF KPAVVDRLFL NLVNTRQINE DATA SEQUENCE KHFDEIXXGL MLNDEGKSLF VKNYEQALRE TVXXXXXXXY VSMRSLIKME DATA SEQUENCE LHKLEKHLIG EQVFGSEE 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 2 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2 E C 0.000 176.646 176.600 0.077 0.000 1.382 2 E CA 0.000 56.445 56.400 0.075 0.000 0.976 2 E CB 0.000 29.740 29.700 0.067 0.000 0.812 3 S N 1.457 117.225 115.700 0.113 0.000 2.552 3 S HA 0.521 4.988 4.470 -0.005 0.000 0.314 3 S C -0.570 174.072 174.600 0.069 0.000 1.099 3 S CA -0.378 57.864 58.200 0.070 0.000 1.070 3 S CB 1.541 64.836 63.200 0.158 0.000 0.998 3 S HN 0.130 8.440 8.310 -0.000 0.000 0.474 4 V N 6.102 125.972 119.914 -0.074 0.000 2.370 4 V HA 0.442 4.559 4.120 -0.005 0.000 0.283 4 V C -1.174 174.826 176.094 -0.156 0.000 1.023 4 V CA -0.573 61.729 62.300 0.003 0.000 0.857 4 V CB 0.589 32.428 31.823 0.026 0.000 0.985 4 V HN 0.824 9.014 8.190 -0.000 0.000 0.443 5 Y N 4.979 125.318 120.300 0.065 0.000 2.341 5 Y HA 0.651 5.198 4.550 -0.005 0.000 0.337 5 Y C 0.056 175.914 175.900 -0.070 0.000 1.014 5 Y CA -0.765 57.332 58.100 -0.005 0.000 1.111 5 Y CB 1.647 40.105 38.460 -0.004 0.000 1.194 5 Y HN 0.417 8.697 8.280 -0.000 0.000 0.462 6 L N 4.666 125.874 121.223 -0.026 0.000 2.345 6 L HA 0.339 4.676 4.340 -0.005 0.000 0.274 6 L C -0.518 176.320 176.870 -0.053 0.000 0.999 6 L CA -0.216 54.623 54.840 -0.003 0.000 0.849 6 L CB 0.794 42.858 42.059 0.010 0.000 1.220 6 L HN 0.727 8.957 8.230 -0.000 0.000 0.422 7 F N -0.580 119.503 119.950 0.222 0.000 2.656 7 F HA 0.122 4.646 4.527 -0.005 0.000 0.291 7 F C 1.666 177.541 175.800 0.124 0.000 1.122 7 F CA -0.012 58.096 58.000 0.180 0.000 1.427 7 F CB 0.340 39.387 39.000 0.080 0.000 1.125 7 F HN 0.326 8.626 8.300 -0.000 0.000 0.583 8 S N 0.033 115.887 115.700 0.257 0.000 2.589 8 S HA 0.265 4.732 4.470 -0.005 0.000 0.265 8 S C 0.372 175.039 174.600 0.111 0.000 1.342 8 S CA -0.406 57.885 58.200 0.153 0.000 1.005 8 S CB 0.852 64.117 63.200 0.109 0.000 0.909 8 S HN 0.036 8.346 8.310 -0.000 0.000 0.555 9 S N -0.093 115.653 115.700 0.077 0.000 2.664 9 S HA 0.937 5.403 4.470 -0.005 0.000 0.304 9 S C 0.555 175.165 174.600 0.016 0.000 1.099 9 S CA 0.008 58.240 58.200 0.054 0.000 1.003 9 S CB 1.664 64.898 63.200 0.057 0.000 1.092 9 S HN 1.114 9.424 8.310 -0.000 0.000 0.525 10 G N 0.596 109.395 108.800 -0.002 0.000 2.292 10 G HA2 0.188 4.145 3.960 -0.005 0.000 0.194 10 G HA3 0.188 4.145 3.960 -0.005 0.000 0.194 10 G C -1.437 173.426 174.900 -0.062 0.000 1.329 10 G CA -0.595 44.485 45.100 -0.033 0.000 1.100 10 G HN 0.740 9.030 8.290 -0.000 0.000 0.470 11 T N 1.183 115.678 114.554 -0.098 0.000 2.792 11 T HA 0.646 4.993 4.350 -0.005 0.000 0.280 11 T C -0.087 174.476 174.700 -0.228 0.000 0.990 11 T CA -0.283 61.732 62.100 -0.141 0.000 0.960 11 T CB 1.535 70.332 68.868 -0.118 0.000 0.939 11 T HN 0.530 8.770 8.240 -0.000 0.000 0.439 12 L N 3.034 124.046 121.223 -0.353 0.000 2.305 12 L HA 0.702 5.038 4.340 -0.005 0.000 0.281 12 L C 0.495 176.932 176.870 -0.722 0.000 1.085 12 L CA -0.074 54.368 54.840 -0.662 0.000 0.813 12 L CB 0.403 41.825 42.059 -1.062 0.000 1.157 12 L HN 0.819 9.049 8.230 -0.000 0.000 0.436 13 K N 1.745 121.823 120.400 -0.537 0.000 2.533 13 K HA 0.898 5.215 4.320 -0.005 0.000 0.272 13 K C -0.591 175.972 176.600 -0.062 0.000 0.985 13 K CA -0.327 55.821 56.287 -0.232 0.000 0.876 13 K CB 1.203 33.605 32.500 -0.163 0.000 1.452 13 K HN 0.540 8.790 8.250 -0.000 0.000 0.439 14 R N 0.446 120.912 120.500 -0.057 0.000 2.221 14 R HA 0.723 5.060 4.340 -0.005 0.000 0.327 14 R C 0.323 176.486 176.300 -0.230 0.000 1.033 14 R CA -0.013 55.894 56.100 -0.321 0.000 0.887 14 R CB -0.300 29.593 30.300 -0.678 0.000 1.057 14 R HN 1.613 9.883 8.270 -0.000 0.000 0.455 15 K N 1.525 121.835 120.400 -0.150 0.000 2.478 15 K HA 0.752 5.069 4.320 -0.005 0.000 0.236 15 K C 0.780 177.375 176.600 -0.009 0.000 1.021 15 K CA 0.329 56.614 56.287 -0.004 0.000 1.010 15 K CB -0.145 32.479 32.500 0.206 0.000 1.331 15 K HN 2.562 10.812 8.250 -0.000 0.000 0.470 16 A N 1.347 124.131 122.820 -0.059 0.000 5.699 16 A HA -0.190 4.126 4.320 -0.005 0.000 0.280 16 A C 0.388 177.992 177.584 0.032 0.000 2.071 16 A CA 0.958 52.991 52.037 -0.006 0.000 0.714 16 A CB -1.378 17.639 19.000 0.027 0.000 1.162 16 A HN 0.947 9.097 8.150 -0.000 0.000 0.363 17 N N 1.076 119.866 118.700 0.150 0.000 3.052 17 N HA 0.451 5.188 4.740 -0.005 0.000 0.302 17 N C -0.241 175.443 175.510 0.290 0.000 1.332 17 N CA 1.183 54.425 53.050 0.320 0.000 1.129 17 N CB 0.417 39.035 38.487 0.219 0.000 1.436 17 N HN 0.882 9.262 8.380 -0.000 0.000 0.536 18 T N -0.692 114.010 114.554 0.247 0.000 2.853 18 T HA 0.507 4.854 4.350 -0.005 0.000 0.311 18 T C -1.207 173.615 174.700 0.203 0.000 1.307 18 T CA -0.847 61.405 62.100 0.253 0.000 1.019 18 T CB 0.780 69.770 68.868 0.205 0.000 1.264 18 T HN 0.151 8.391 8.240 -0.000 0.000 0.497 19 I N 1.957 122.682 120.570 0.257 0.000 2.331 19 I HA 0.689 4.856 4.170 -0.005 0.000 0.292 19 I C 0.211 176.389 176.117 0.102 0.000 0.998 19 I CA -0.861 60.578 61.300 0.232 0.000 1.267 19 I CB 0.491 38.724 38.000 0.389 0.000 1.386 19 I HN 0.768 8.978 8.210 -0.000 0.000 0.476 20 C N 7.398 126.679 119.300 -0.032 0.000 2.351 20 C HA 0.720 5.176 4.460 -0.005 0.000 0.326 20 C C -0.260 174.605 174.990 -0.209 0.000 1.272 20 C CA -0.774 58.116 59.018 -0.214 0.000 1.650 20 C CB 1.023 28.445 27.740 -0.530 0.000 2.257 20 C HN 0.867 9.097 8.230 -0.000 0.000 0.505 21 L N 4.072 125.184 121.223 -0.185 0.000 2.276 21 L HA 0.634 4.970 4.340 -0.005 0.000 0.286 21 L C 0.365 177.134 176.870 -0.168 0.000 1.061 21 L CA 0.562 55.305 54.840 -0.162 0.000 0.807 21 L CB 0.875 42.879 42.059 -0.091 0.000 1.177 21 L HN 0.993 9.223 8.230 -0.000 0.000 0.429 22 E N 3.367 123.476 120.200 -0.153 0.000 2.028 22 E HA 0.484 4.830 4.350 -0.005 0.000 0.266 22 E C 0.008 176.561 176.600 -0.078 0.000 0.962 22 E CA -0.162 56.163 56.400 -0.125 0.000 0.784 22 E CB 0.591 30.218 29.700 -0.120 0.000 1.114 22 E HN 0.747 9.107 8.360 -0.000 0.000 0.414 23 T N 0.741 115.260 114.554 -0.058 0.000 2.852 23 T HA 0.473 4.819 4.350 -0.005 0.000 0.281 23 T C 1.878 176.566 174.700 -0.020 0.000 0.993 23 T CA 0.845 62.928 62.100 -0.027 0.000 0.933 23 T CB 0.856 69.719 68.868 -0.008 0.000 1.187 23 T HN 0.714 8.954 8.240 -0.000 0.000 0.559 24 E N 0.031 120.228 120.200 -0.006 0.000 2.118 24 E HA -0.065 4.282 4.350 -0.005 0.000 0.195 24 E C 1.570 178.168 176.600 -0.002 0.000 0.992 24 E CA 1.714 58.112 56.400 -0.003 0.000 0.804 24 E CB -0.663 29.039 29.700 0.004 0.000 0.741 24 E HN 0.696 9.056 8.360 -0.000 0.000 0.458 25 S N -1.260 114.440 115.700 0.001 0.000 2.499 25 S HA 0.584 5.051 4.470 -0.005 0.000 0.238 25 S C 0.539 175.141 174.600 0.004 0.000 1.205 25 S CA 0.259 58.462 58.200 0.004 0.000 1.203 25 S CB -0.048 63.158 63.200 0.010 0.000 0.954 25 S HN 1.506 9.816 8.310 -0.000 0.000 0.484 26 G N 0.002 108.798 108.800 -0.008 0.000 2.351 26 G HA2 0.446 4.403 3.960 -0.005 0.000 0.353 26 G HA3 0.446 4.403 3.960 -0.005 0.000 0.353 26 G C -0.956 173.912 174.900 -0.053 0.000 1.358 26 G CA -0.547 44.546 45.100 -0.013 0.000 0.995 26 G HN 0.917 9.207 8.290 -0.000 0.000 0.611 27 R N -0.616 119.834 120.500 -0.083 0.000 2.239 27 R HA 0.918 5.255 4.340 -0.005 0.000 0.332 27 R C 0.208 176.349 176.300 -0.266 0.000 0.988 27 R CA 0.584 56.542 56.100 -0.236 0.000 0.859 27 R CB 0.349 30.433 30.300 -0.359 0.000 1.148 27 R HN 2.020 10.290 8.270 -0.000 0.000 0.482 28 K N 2.777 123.061 120.400 -0.194 0.000 2.250 28 K HA 0.495 4.811 4.320 -0.005 0.000 0.285 28 K C -0.662 175.869 176.600 -0.115 0.000 1.097 28 K CA -0.398 55.844 56.287 -0.075 0.000 0.913 28 K CB -0.387 32.110 32.500 -0.005 0.000 1.179 28 K HN 0.650 8.900 8.250 -0.000 0.000 0.462 29 Y N 0.672 120.992 120.300 0.033 0.000 2.346 29 Y HA 0.434 4.981 4.550 -0.005 0.000 0.330 29 Y C 0.639 176.573 175.900 0.057 0.000 1.178 29 Y CA -0.504 57.620 58.100 0.039 0.000 1.331 29 Y CB 0.867 39.347 38.460 0.032 0.000 1.253 29 Y HN 0.502 8.782 8.280 -0.000 0.000 0.529 30 I N 5.118 125.815 120.570 0.211 0.000 2.517 30 I HA 0.274 4.441 4.170 -0.005 0.000 0.280 30 I C -2.688 173.528 176.117 0.165 0.000 1.061 30 I CA -2.327 59.071 61.300 0.164 0.000 1.091 30 I CB 1.573 39.654 38.000 0.135 0.000 1.205 30 I HN 0.323 8.533 8.210 -0.000 0.000 0.459 31 P HA -0.063 4.357 4.420 -0.000 0.000 0.262 31 P C 1.173 178.542 177.300 0.115 0.000 1.182 31 P CA 0.004 63.179 63.100 0.125 0.000 0.761 31 P CB 0.704 32.459 31.700 0.091 0.000 0.795 32 V N 0.250 120.239 119.914 0.125 0.000 3.217 32 V HA -0.117 3.999 4.120 -0.005 0.000 0.264 32 V C 2.226 178.340 176.094 0.033 0.000 1.135 32 V CA 1.698 64.044 62.300 0.076 0.000 1.142 32 V CB -2.055 29.797 31.823 0.049 0.000 0.754 32 V HN 0.463 8.653 8.190 -0.000 0.000 0.484 33 E N 1.912 122.139 120.200 0.044 0.000 2.164 33 E HA -0.427 3.920 4.350 -0.005 0.000 0.233 33 E C 1.864 178.472 176.600 0.014 0.000 1.073 33 E CA 2.534 58.949 56.400 0.026 0.000 0.941 33 E CB -1.065 28.656 29.700 0.035 0.000 0.820 33 E HN 0.730 9.090 8.360 -0.000 0.000 0.486 34 N N -0.534 118.182 118.700 0.027 0.000 2.204 34 N HA 0.132 4.869 4.740 -0.005 0.000 0.219 34 N C -0.740 174.788 175.510 0.029 0.000 1.151 34 N CA 0.062 53.128 53.050 0.026 0.000 0.867 34 N CB 0.577 39.086 38.487 0.036 0.000 1.043 34 N HN 0.276 8.656 8.380 -0.000 0.000 0.516 35 V N 2.683 122.611 119.914 0.023 0.000 2.614 35 V HA 0.077 4.194 4.120 -0.005 0.000 0.291 35 V C 1.642 177.742 176.094 0.010 0.000 1.049 35 V CA 0.064 62.378 62.300 0.024 0.000 1.038 35 V CB 1.358 33.195 31.823 0.023 0.000 0.980 35 V HN 0.323 8.513 8.190 -0.000 0.000 0.481 36 M N 1.979 121.594 119.600 0.026 0.000 2.491 36 M HA 0.365 4.842 4.480 -0.005 0.000 0.259 36 M C -0.103 176.214 176.300 0.028 0.000 1.163 36 M CA 0.402 55.724 55.300 0.037 0.000 1.109 36 M CB 0.789 33.428 32.600 0.065 0.000 1.353 36 M HN 0.737 9.027 8.290 -0.000 0.000 0.500 37 D N 0.344 120.749 120.400 0.008 0.000 2.725 37 D HA 0.406 5.043 4.640 -0.005 0.000 0.292 37 D C -1.479 174.782 176.300 -0.065 0.000 1.288 37 D CA -0.543 53.441 54.000 -0.025 0.000 0.784 37 D CB 0.997 41.839 40.800 0.070 0.000 1.308 37 D HN 0.265 8.635 8.370 -0.000 0.000 0.429 38 I N -0.169 120.336 120.570 -0.108 0.000 2.447 38 I HA 0.310 4.477 4.170 -0.005 0.000 0.287 38 I C -0.477 175.532 176.117 -0.180 0.000 1.023 38 I CA -0.691 60.521 61.300 -0.147 0.000 1.083 38 I CB 1.716 39.649 38.000 -0.112 0.000 1.245 38 I HN 0.094 8.304 8.210 -0.000 0.000 0.434 39 K N 5.755 125.995 120.400 -0.266 0.000 2.263 39 K HA 0.558 4.875 4.320 -0.005 0.000 0.272 39 K C -1.053 175.353 176.600 -0.323 0.000 1.033 39 K CA -0.575 55.568 56.287 -0.241 0.000 0.884 39 K CB 1.909 34.230 32.500 -0.298 0.000 1.107 39 K HN 0.276 8.526 8.250 -0.000 0.000 0.460 40 V N 5.021 124.705 119.914 -0.385 0.000 2.328 40 V HA 0.234 4.351 4.120 -0.005 0.000 0.278 40 V C -0.001 175.919 176.094 -0.290 0.000 1.021 40 V CA -0.429 61.697 62.300 -0.291 0.000 0.838 40 V CB 0.434 32.070 31.823 -0.312 0.000 0.999 40 V HN 0.734 8.924 8.190 -0.000 0.000 0.447 41 F N 2.151 122.094 119.950 -0.011 0.000 2.622 41 F HA 0.391 4.915 4.527 -0.005 0.000 0.288 41 F C 1.936 177.833 175.800 0.161 0.000 1.120 41 F CA 0.465 58.531 58.000 0.109 0.000 1.423 41 F CB -0.062 38.942 39.000 0.006 0.000 1.127 41 F HN 0.609 8.909 8.300 -0.000 0.000 0.588 42 G N -0.018 108.950 108.800 0.280 0.000 2.525 42 G HA2 0.214 4.171 3.960 -0.005 0.000 0.276 42 G HA3 0.214 4.171 3.960 -0.005 0.000 0.276 42 G C -0.460 174.542 174.900 0.168 0.000 1.388 42 G CA -0.370 44.863 45.100 0.222 0.000 1.050 42 G HN -0.096 8.194 8.290 -0.000 0.000 0.520 43 E N -0.131 120.144 120.200 0.124 0.000 2.174 43 E HA 0.426 4.773 4.350 -0.005 0.000 0.282 43 E C -0.054 176.585 176.600 0.065 0.000 0.992 43 E CA -0.340 56.115 56.400 0.092 0.000 0.803 43 E CB 1.472 31.212 29.700 0.068 0.000 1.090 43 E HN 0.472 8.832 8.360 -0.000 0.000 0.396 44 V N -0.085 119.869 119.914 0.065 0.000 2.925 44 V HA 0.601 4.718 4.120 -0.005 0.000 0.311 44 V C -0.665 175.434 176.094 0.008 0.000 1.104 44 V CA -1.054 61.264 62.300 0.030 0.000 0.954 44 V CB 2.603 34.453 31.823 0.044 0.000 1.022 44 V HN 0.297 8.487 8.190 -0.000 0.000 0.427 45 D N 3.358 123.735 120.400 -0.038 0.000 2.198 45 D HA 0.829 5.466 4.640 -0.005 0.000 0.247 45 D C -0.487 175.754 176.300 -0.099 0.000 1.010 45 D CA 0.045 54.013 54.000 -0.055 0.000 0.880 45 D CB 2.188 42.952 40.800 -0.061 0.000 1.209 45 D HN 0.899 9.269 8.370 -0.000 0.000 0.451 46 L N -0.739 120.439 121.223 -0.076 0.000 2.568 46 L HA 0.644 4.980 4.340 -0.005 0.000 0.257 46 L C -1.156 175.698 176.870 -0.025 0.000 1.024 46 L CA -1.034 53.750 54.840 -0.093 0.000 0.854 46 L CB 1.456 43.494 42.059 -0.034 0.000 1.460 46 L HN 0.237 8.467 8.230 -0.000 0.000 0.409 47 N N -0.853 117.856 118.700 0.016 0.000 2.457 47 N HA 0.428 5.165 4.740 -0.005 0.000 0.290 47 N C 0.209 175.751 175.510 0.053 0.000 1.232 47 N CA -0.822 52.243 53.050 0.026 0.000 0.852 47 N CB 1.163 39.658 38.487 0.014 0.000 1.313 47 N HN 0.829 9.209 8.380 -0.000 0.000 0.522 48 K N -0.171 120.239 120.400 0.018 0.000 2.113 48 K HA -0.120 4.196 4.320 -0.005 0.000 0.208 48 K C 1.639 178.256 176.600 0.029 0.000 1.047 48 K CA 1.245 57.536 56.287 0.006 0.000 0.928 48 K CB -0.007 32.499 32.500 0.011 0.000 0.716 48 K HN 0.444 8.694 8.250 -0.000 0.000 0.446 49 R N -0.443 120.090 120.500 0.055 0.000 2.103 49 R HA -0.184 4.153 4.340 -0.005 0.000 0.242 49 R C 2.249 178.621 176.300 0.121 0.000 1.142 49 R CA 1.866 58.011 56.100 0.074 0.000 0.960 49 R CB -0.442 29.894 30.300 0.060 0.000 0.858 49 R HN 0.265 8.535 8.270 -0.000 0.000 0.439 50 F N 1.390 121.331 119.950 -0.015 0.000 2.134 50 F HA -0.160 4.364 4.527 -0.005 0.000 0.299 50 F C 1.980 177.791 175.800 0.019 0.000 1.097 50 F CA 1.366 59.373 58.000 0.011 0.000 1.264 50 F CB -0.310 38.670 39.000 -0.034 0.000 1.001 50 F HN -0.062 8.238 8.300 -0.000 0.000 0.479 51 L N -0.160 120.967 121.223 -0.160 0.000 2.093 51 L HA -0.195 4.142 4.340 -0.005 0.000 0.208 51 L C 2.360 179.131 176.870 -0.166 0.000 1.085 51 L CA 1.559 56.142 54.840 -0.427 0.000 0.755 51 L CB -0.810 40.887 42.059 -0.604 0.000 0.904 51 L HN 0.175 8.405 8.230 -0.000 0.000 0.435 52 E N -0.185 119.995 120.200 -0.033 0.000 2.058 52 E HA -0.283 4.063 4.350 -0.005 0.000 0.194 52 E C 2.008 178.625 176.600 0.028 0.000 0.997 52 E CA 1.648 58.069 56.400 0.036 0.000 0.801 52 E CB -0.215 29.521 29.700 0.059 0.000 0.746 52 E HN 0.342 8.702 8.360 -0.000 0.000 0.450 53 F N 1.296 121.160 119.950 -0.142 0.000 2.126 53 F HA -0.189 4.335 4.527 -0.005 0.000 0.299 53 F C 1.894 177.567 175.800 -0.210 0.000 1.096 53 F CA 1.302 59.206 58.000 -0.160 0.000 1.255 53 F CB -0.148 38.751 39.000 -0.168 0.000 0.997 53 F HN -0.067 8.233 8.300 -0.000 0.000 0.479 54 L N -0.943 120.077 121.223 -0.338 0.000 2.017 54 L HA -0.237 4.100 4.340 -0.005 0.000 0.208 54 L C 2.785 179.530 176.870 -0.209 0.000 1.073 54 L CA 1.568 56.190 54.840 -0.362 0.000 0.745 54 L CB -1.064 40.803 42.059 -0.321 0.000 0.894 54 L HN 0.204 8.434 8.230 -0.000 0.000 0.432 55 S N -0.507 115.166 115.700 -0.046 0.000 2.365 55 S HA -0.288 4.179 4.470 -0.005 0.000 0.225 55 S C 1.963 176.504 174.600 -0.098 0.000 1.039 55 S CA 1.731 59.923 58.200 -0.013 0.000 1.033 55 S CB -0.131 63.116 63.200 0.078 0.000 0.887 55 S HN 0.439 8.749 8.310 -0.000 0.000 0.447 56 Q N -0.143 119.568 119.800 -0.148 0.000 2.084 56 Q HA -0.049 4.288 4.340 -0.005 0.000 0.202 56 Q C 1.742 177.587 176.000 -0.259 0.000 0.978 56 Q CA 1.102 56.800 55.803 -0.174 0.000 0.844 56 Q CB -0.084 28.558 28.738 -0.160 0.000 0.898 56 Q HN 0.334 8.604 8.270 -0.000 0.000 0.426 57 K N 0.379 120.549 120.400 -0.384 0.000 2.444 57 K HA 0.091 4.407 4.320 -0.005 0.000 0.193 57 K C -0.127 176.300 176.600 -0.287 0.000 1.024 57 K CA 0.113 56.174 56.287 -0.376 0.000 1.077 57 K CB 0.384 32.567 32.500 -0.528 0.000 0.833 57 K HN 0.155 8.405 8.250 -0.000 0.000 0.517 58 R N 0.506 120.868 120.500 -0.229 0.000 3.332 58 R HA -0.128 4.209 4.340 -0.005 0.000 0.263 58 R C -0.623 175.653 176.300 -0.039 0.000 1.053 58 R CA 0.416 56.456 56.100 -0.099 0.000 0.705 58 R CB -2.178 27.893 30.300 -0.382 0.000 1.166 58 R HN 0.163 8.433 8.270 -0.000 0.000 0.427 59 I N 0.805 121.285 120.570 -0.150 0.000 2.420 59 I HA 0.319 4.486 4.170 -0.005 0.000 0.282 59 I C -2.101 173.890 176.117 -0.210 0.000 1.019 59 I CA -2.425 58.783 61.300 -0.154 0.000 1.130 59 I CB 1.636 39.547 38.000 -0.150 0.000 1.262 59 I HN -0.171 8.039 8.210 -0.000 0.000 0.454 60 P HA 0.306 4.726 4.420 -0.000 0.000 0.274 60 P C -0.695 176.424 177.300 -0.302 0.000 1.246 60 P CA -0.308 62.570 63.100 -0.371 0.000 0.795 60 P CB 1.308 32.708 31.700 -0.500 0.000 1.006 61 I N 0.786 121.204 120.570 -0.254 0.000 2.534 61 I HA 0.340 4.507 4.170 -0.005 0.000 0.288 61 I C -0.935 174.920 176.117 -0.437 0.000 1.077 61 I CA -0.741 60.356 61.300 -0.339 0.000 1.051 61 I CB 1.074 38.962 38.000 -0.186 0.000 1.234 61 I HN 0.319 8.529 8.210 -0.000 0.000 0.425 62 H N 6.843 125.791 119.070 -0.202 0.000 2.479 62 H HA 0.468 5.020 4.556 -0.006 0.000 0.335 62 H C -1.482 173.627 175.328 -0.365 0.000 1.142 62 H CA -0.345 55.658 56.048 -0.074 0.000 1.234 62 H CB 1.730 31.541 29.762 0.082 0.000 1.503 62 H HN 0.430 8.710 8.280 -0.000 0.000 0.510 63 F N 1.535 121.441 119.950 -0.073 0.000 2.529 63 F HA 0.364 4.888 4.527 -0.005 0.000 0.320 63 F C -0.604 174.945 175.800 -0.417 0.000 1.118 63 F CA -0.632 57.277 58.000 -0.151 0.000 0.915 63 F CB 1.334 40.258 39.000 -0.126 0.000 1.161 63 F HN 0.316 8.616 8.300 -0.000 0.000 0.445 64 F N 2.107 122.063 119.950 0.010 0.000 2.520 64 F HA 0.386 4.910 4.527 -0.006 0.000 0.322 64 F C 0.161 176.053 175.800 0.153 0.000 1.103 64 F CA -1.220 56.828 58.000 0.080 0.000 0.926 64 F CB 1.445 40.445 39.000 -0.000 0.000 1.154 64 F HN 0.472 8.772 8.300 -0.000 0.000 0.453 65 N N 1.151 120.048 118.700 0.328 0.000 2.347 65 N HA 0.297 5.033 4.740 -0.005 0.000 0.253 65 N C 1.223 176.910 175.510 0.295 0.000 1.274 65 N CA 0.024 53.217 53.050 0.238 0.000 0.941 65 N CB 0.205 38.765 38.487 0.123 0.000 1.200 65 N HN 0.704 9.084 8.380 -0.000 0.000 0.514 66 R N -0.735 119.890 120.500 0.208 0.000 2.103 66 R HA -0.145 4.191 4.340 -0.005 0.000 0.242 66 R C 2.290 178.711 176.300 0.202 0.000 1.142 66 R CA 2.664 58.881 56.100 0.195 0.000 0.960 66 R CB -2.331 28.045 30.300 0.127 0.000 0.858 66 R HN 0.918 9.188 8.270 -0.000 0.000 0.439 67 E N -0.557 119.762 120.200 0.197 0.000 2.511 67 E HA 0.316 4.663 4.350 -0.005 0.000 0.196 67 E C 1.895 178.643 176.600 0.246 0.000 1.066 67 E CA 1.147 57.658 56.400 0.185 0.000 0.871 67 E CB -0.881 28.927 29.700 0.179 0.000 0.863 67 E HN 1.716 10.076 8.360 -0.000 0.000 0.520 68 G N -1.207 107.822 108.800 0.382 0.000 2.195 68 G HA2 -0.295 3.662 3.960 -0.005 0.000 0.246 68 G HA3 -0.295 3.662 3.960 -0.005 0.000 0.246 68 G C 0.290 175.635 174.900 0.741 0.000 0.984 68 G CA 0.111 45.555 45.100 0.574 0.000 0.633 68 G HN 0.731 9.021 8.290 -0.000 0.000 0.525 69 Y N 0.833 121.379 120.300 0.410 0.000 2.632 69 Y HA 0.361 4.908 4.550 -0.005 0.000 0.329 69 Y C 0.835 176.926 175.900 0.319 0.000 1.174 69 Y CA -0.781 57.512 58.100 0.323 0.000 1.469 69 Y CB 0.219 38.786 38.460 0.178 0.000 1.242 69 Y HN 0.323 8.603 8.280 -0.000 0.000 0.540 70 Y N 7.212 127.720 120.300 0.346 0.000 2.436 70 Y HA 0.270 4.817 4.550 -0.005 0.000 0.336 70 Y C 0.534 176.491 175.900 0.095 0.000 1.049 70 Y CA -0.328 57.706 58.100 -0.109 0.000 1.294 70 Y CB 0.659 38.978 38.460 -0.234 0.000 1.179 70 Y HN 0.525 8.805 8.280 -0.000 0.000 0.520 71 V N 3.203 122.752 119.914 -0.608 0.000 2.795 71 V HA 0.690 4.807 4.120 -0.005 0.000 0.243 71 V C 0.771 176.429 176.094 -0.726 0.000 1.069 71 V CA 0.890 62.898 62.300 -0.485 0.000 1.089 71 V CB -0.401 31.260 31.823 -0.270 0.000 0.756 71 V HN 1.063 9.253 8.190 -0.000 0.000 0.471 72 G N -1.110 107.128 108.800 -0.936 0.000 2.322 72 G HA2 0.506 4.462 3.960 -0.005 0.000 0.295 72 G HA3 0.506 4.462 3.960 -0.005 0.000 0.295 72 G C -1.333 173.567 174.900 -0.000 0.000 1.369 72 G CA 0.089 44.860 45.100 -0.548 0.000 0.821 72 G HN 0.174 8.464 8.290 -0.000 0.000 0.536 73 T N 0.377 115.078 114.554 0.245 0.000 2.881 73 T HA 0.472 4.819 4.350 -0.005 0.000 0.290 73 T C -1.301 173.617 174.700 0.363 0.000 1.000 73 T CA -0.284 62.074 62.100 0.430 0.000 0.978 73 T CB 1.612 70.818 68.868 0.564 0.000 0.997 73 T HN 0.629 8.869 8.240 -0.000 0.000 0.443 74 F N 4.334 124.441 119.950 0.262 0.000 2.439 74 F HA 0.385 4.909 4.527 -0.005 0.000 0.356 74 F C -0.682 175.162 175.800 0.073 0.000 1.161 74 F CA -1.200 56.898 58.000 0.162 0.000 1.151 74 F CB -0.152 38.953 39.000 0.174 0.000 1.222 74 F HN 0.590 8.890 8.300 -0.000 0.000 0.558 75 Y N 8.653 128.632 120.300 -0.534 0.000 2.454 75 Y HA 0.381 4.928 4.550 -0.005 0.000 0.345 75 Y C -1.981 173.401 175.900 -0.864 0.000 0.970 75 Y CA -2.634 55.126 58.100 -0.568 0.000 1.204 75 Y CB 0.337 38.685 38.460 -0.186 0.000 1.122 75 Y HN 0.511 8.791 8.280 -0.000 0.000 0.514 76 P HA 0.004 4.424 4.420 -0.000 0.000 0.271 76 P C -0.654 176.427 177.300 -0.365 0.000 1.233 76 P CA -0.389 62.238 63.100 -0.789 0.000 0.789 76 P CB 0.588 31.951 31.700 -0.563 0.000 0.951 77 R N 1.846 122.278 120.500 -0.114 0.000 2.583 77 R HA -0.030 4.307 4.340 -0.005 0.000 0.274 77 R C 0.119 176.509 176.300 0.149 0.000 0.998 77 R CA 0.275 56.395 56.100 0.033 0.000 1.081 77 R CB 0.165 30.490 30.300 0.043 0.000 0.940 77 R HN 0.470 8.740 8.270 -0.000 0.000 0.413 78 E N 5.044 125.321 120.200 0.128 0.000 2.360 78 E HA -0.093 4.254 4.350 -0.005 0.000 0.269 78 E C 0.230 176.820 176.600 -0.017 0.000 1.022 78 E CA 0.166 56.587 56.400 0.035 0.000 0.887 78 E CB 0.349 30.024 29.700 -0.041 0.000 0.990 78 E HN 0.716 9.076 8.360 -0.000 0.000 0.426 79 Y N 0.881 121.022 120.300 -0.265 0.000 2.509 79 Y HA 0.269 4.816 4.550 -0.006 0.000 0.270 79 Y C 0.678 176.429 175.900 -0.247 0.000 1.103 79 Y CA -0.315 57.657 58.100 -0.213 0.000 1.278 79 Y CB 0.353 38.685 38.460 -0.212 0.000 1.087 79 Y HN 0.204 8.484 8.280 -0.000 0.000 0.542 80 L N 3.469 124.142 121.223 -0.916 0.000 2.282 80 L HA 0.339 4.676 4.340 -0.005 0.000 0.287 80 L C -1.236 175.323 176.870 -0.518 0.000 1.075 80 L CA 0.008 54.288 54.840 -0.933 0.000 0.839 80 L CB 0.269 41.486 42.059 -1.403 0.000 1.219 80 L HN 0.285 8.515 8.230 -0.000 0.000 0.434 81 N N 1.723 120.315 118.700 -0.180 0.000 2.296 81 N HA 0.541 5.278 4.740 -0.005 0.000 0.294 81 N C -1.055 174.556 175.510 0.168 0.000 1.033 81 N CA -0.429 52.631 53.050 0.017 0.000 0.839 81 N CB 2.237 40.724 38.487 -0.001 0.000 1.395 81 N HN 0.288 8.668 8.380 -0.000 0.000 0.479 82 S N 0.336 116.142 115.700 0.177 0.000 2.653 82 S HA 0.387 4.854 4.470 -0.005 0.000 0.268 82 S C 0.939 175.607 174.600 0.113 0.000 1.153 82 S CA -0.576 57.712 58.200 0.147 0.000 1.036 82 S CB 0.407 63.681 63.200 0.123 0.000 1.103 82 S HN 0.717 9.027 8.310 -0.000 0.000 0.466 83 G N 3.102 111.964 108.800 0.104 0.000 2.491 83 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.218 83 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.218 83 G C 1.062 176.027 174.900 0.108 0.000 1.180 83 G CA 1.250 46.408 45.100 0.096 0.000 0.774 83 G HN 0.700 8.990 8.290 -0.000 0.000 0.562 84 F N 0.772 120.725 119.950 0.004 0.000 2.134 84 F HA 0.051 4.577 4.527 -0.003 0.000 0.299 84 F C 2.382 178.184 175.800 0.004 0.000 1.097 84 F CA 1.486 59.486 58.000 -0.000 0.000 1.264 84 F CB -0.220 38.769 39.000 -0.020 0.000 1.001 84 F HN 0.129 8.429 8.300 -0.000 0.000 0.479 85 L N -0.186 121.097 121.223 0.100 0.000 2.005 85 L HA -0.197 4.140 4.340 -0.005 0.000 0.207 85 L C 2.301 179.161 176.870 -0.017 0.000 1.072 85 L CA 1.262 56.113 54.840 0.017 0.000 0.744 85 L CB -0.694 41.394 42.059 0.048 0.000 0.895 85 L HN 0.051 8.281 8.230 -0.000 0.000 0.433 86 I N -0.099 120.486 120.570 0.025 0.000 2.143 86 I HA -0.341 3.826 4.170 -0.005 0.000 0.245 86 I C 2.592 178.705 176.117 -0.008 0.000 1.068 86 I CA 1.794 63.109 61.300 0.025 0.000 1.326 86 I CB -1.438 36.584 38.000 0.038 0.000 1.028 86 I HN 0.414 8.624 8.210 -0.000 0.000 0.412 87 L N 0.965 122.148 121.223 -0.065 0.000 2.042 87 L HA -0.192 4.145 4.340 -0.005 0.000 0.210 87 L C 2.420 179.230 176.870 -0.101 0.000 1.076 87 L CA 1.947 56.731 54.840 -0.094 0.000 0.749 87 L CB -0.611 41.353 42.059 -0.158 0.000 0.893 87 L HN 0.044 8.274 8.230 -0.000 0.000 0.432 88 K N -0.332 119.950 120.400 -0.195 0.000 2.097 88 K HA -0.191 4.126 4.320 -0.005 0.000 0.205 88 K C 2.108 178.779 176.600 0.119 0.000 1.050 88 K CA 1.611 57.850 56.287 -0.080 0.000 0.938 88 K CB -0.425 31.936 32.500 -0.232 0.000 0.718 88 K HN 0.592 8.842 8.250 -0.000 0.000 0.442 89 Q N 0.292 120.149 119.800 0.096 0.000 2.124 89 Q HA -0.101 4.236 4.340 -0.005 0.000 0.202 89 Q C 1.903 178.074 176.000 0.285 0.000 0.977 89 Q CA 1.529 57.470 55.803 0.230 0.000 0.850 89 Q CB -0.013 28.817 28.738 0.154 0.000 0.901 89 Q HN 0.287 8.557 8.270 -0.000 0.000 0.429 90 A N 0.934 123.856 122.820 0.170 0.000 1.873 90 A HA -0.215 4.102 4.320 -0.005 0.000 0.215 90 A C 1.910 179.632 177.584 0.230 0.000 1.186 90 A CA 1.545 53.685 52.037 0.170 0.000 0.616 90 A CB -0.658 18.402 19.000 0.101 0.000 0.823 90 A HN 0.613 8.763 8.150 -0.000 0.000 0.442 91 E N -0.942 119.364 120.200 0.175 0.000 2.152 91 E HA -0.235 4.112 4.350 -0.005 0.000 0.192 91 E C 1.466 178.135 176.600 0.115 0.000 0.983 91 E CA 1.077 57.542 56.400 0.110 0.000 0.818 91 E CB -0.245 29.471 29.700 0.027 0.000 0.758 91 E HN 0.748 9.108 8.360 -0.000 0.000 0.467 92 H N -1.487 117.675 119.070 0.153 0.000 2.559 92 H HA -0.024 4.528 4.556 -0.006 0.000 0.273 92 H C 0.979 176.505 175.328 0.330 0.000 1.000 92 H CA 1.297 57.441 56.048 0.158 0.000 1.195 92 H CB 0.052 29.853 29.762 0.066 0.000 1.368 92 H HN 0.300 8.580 8.280 -0.000 0.000 0.592 93 Y N 0.345 120.885 120.300 0.400 0.000 2.301 93 Y HA 0.013 4.560 4.550 -0.006 0.000 0.295 93 Y C 2.077 178.064 175.900 0.143 0.000 1.126 93 Y CA 0.752 59.039 58.100 0.312 0.000 1.154 93 Y CB 0.162 38.709 38.460 0.145 0.000 1.075 93 Y HN 0.221 8.501 8.280 -0.000 0.000 0.534 94 I N -0.976 119.734 120.570 0.234 0.000 3.111 94 I HA -0.029 4.138 4.170 -0.005 0.000 0.272 94 I C 0.351 176.475 176.117 0.012 0.000 1.268 94 I CA 0.714 62.087 61.300 0.123 0.000 1.467 94 I CB -0.373 37.719 38.000 0.153 0.000 1.087 94 I HN 0.146 8.356 8.210 -0.000 0.000 0.467 95 N N 2.720 121.412 118.700 -0.015 0.000 2.414 95 N HA 0.022 4.758 4.740 -0.005 0.000 0.256 95 N C 0.679 176.144 175.510 -0.076 0.000 1.029 95 N CA 0.100 53.116 53.050 -0.056 0.000 0.948 95 N CB 1.460 39.890 38.487 -0.094 0.000 1.102 95 N HN 0.395 8.775 8.380 -0.000 0.000 0.496 96 Q N 2.716 122.471 119.800 -0.076 0.000 2.124 96 Q HA -0.185 4.151 4.340 -0.005 0.000 0.202 96 Q C 0.425 176.385 176.000 -0.066 0.000 0.977 96 Q CA 1.731 57.482 55.803 -0.088 0.000 0.850 96 Q CB 0.360 29.056 28.738 -0.070 0.000 0.901 96 Q HN 0.621 8.891 8.270 -0.000 0.000 0.429 97 E N 0.359 120.527 120.200 -0.053 0.000 2.072 97 E HA -0.138 4.209 4.350 -0.005 0.000 0.191 97 E C 1.838 178.424 176.600 -0.023 0.000 0.985 97 E CA 1.281 57.659 56.400 -0.036 0.000 0.801 97 E CB 0.095 29.775 29.700 -0.032 0.000 0.750 97 E HN 0.288 8.648 8.360 -0.000 0.000 0.452 98 K N 0.333 120.706 120.400 -0.045 0.000 2.097 98 K HA -0.078 4.238 4.320 -0.005 0.000 0.205 98 K C 2.259 178.885 176.600 0.043 0.000 1.050 98 K CA 0.938 57.223 56.287 -0.004 0.000 0.938 98 K CB -0.105 32.274 32.500 -0.201 0.000 0.718 98 K HN -0.019 8.231 8.250 -0.000 0.000 0.442 99 R N 1.012 121.514 120.500 0.003 0.000 2.081 99 R HA -0.133 4.204 4.340 -0.005 0.000 0.235 99 R C 2.327 178.623 176.300 -0.006 0.000 1.131 99 R CA 1.536 57.647 56.100 0.019 0.000 0.960 99 R CB -0.134 30.112 30.300 -0.090 0.000 0.856 99 R HN 0.104 8.374 8.270 -0.000 0.000 0.436 100 M N 0.515 120.098 119.600 -0.028 0.000 2.175 100 M HA -0.128 4.349 4.480 -0.005 0.000 0.264 100 M C 1.888 178.169 176.300 -0.031 0.000 1.063 100 M CA 1.259 56.539 55.300 -0.034 0.000 1.119 100 M CB -0.343 32.235 32.600 -0.037 0.000 1.377 100 M HN 0.247 8.537 8.290 -0.000 0.000 0.415 101 L N 0.353 121.575 121.223 -0.002 0.000 2.013 101 L HA -0.205 4.132 4.340 -0.005 0.000 0.212 101 L C 2.137 178.984 176.870 -0.039 0.000 1.073 101 L CA 2.068 56.918 54.840 0.018 0.000 0.753 101 L CB -0.859 41.269 42.059 0.115 0.000 0.890 101 L HN 0.449 8.679 8.230 -0.000 0.000 0.432 102 I N -0.917 119.619 120.570 -0.057 0.000 2.315 102 I HA -0.241 3.926 4.170 -0.005 0.000 0.248 102 I C 2.527 178.555 176.117 -0.147 0.000 1.117 102 I CA 1.019 62.230 61.300 -0.148 0.000 1.404 102 I CB -0.570 37.244 38.000 -0.311 0.000 1.071 102 I HN 0.339 8.549 8.210 -0.000 0.000 0.419 103 A N 0.834 123.611 122.820 -0.071 0.000 1.902 103 A HA -0.192 4.124 4.320 -0.005 0.000 0.217 103 A C 2.419 179.912 177.584 -0.152 0.000 1.181 103 A CA 1.403 53.401 52.037 -0.065 0.000 0.623 103 A CB -0.526 18.454 19.000 -0.033 0.000 0.818 103 A HN 0.279 8.429 8.150 -0.000 0.000 0.443 104 R N -0.812 119.592 120.500 -0.159 0.000 2.073 104 R HA -0.172 4.165 4.340 -0.005 0.000 0.234 104 R C 2.283 178.417 176.300 -0.277 0.000 1.134 104 R CA 1.617 57.597 56.100 -0.200 0.000 0.952 104 R CB -0.300 29.913 30.300 -0.145 0.000 0.850 104 R HN 0.689 8.959 8.270 -0.000 0.000 0.433 105 E N 1.109 121.109 120.200 -0.333 0.000 2.033 105 E HA -0.206 4.141 4.350 -0.005 0.000 0.199 105 E C 1.832 178.185 176.600 -0.413 0.000 1.011 105 E CA 1.503 57.604 56.400 -0.499 0.000 0.815 105 E CB -0.180 28.951 29.700 -0.949 0.000 0.755 105 E HN 0.095 8.455 8.360 -0.000 0.000 0.451 106 I N 0.386 120.761 120.570 -0.325 0.000 2.151 106 I HA -0.260 3.907 4.170 -0.005 0.000 0.243 106 I C 2.432 178.385 176.117 -0.273 0.000 1.080 106 I CA 1.022 62.183 61.300 -0.232 0.000 1.339 106 I CB -1.218 36.719 38.000 -0.105 0.000 1.039 106 I HN 0.128 8.338 8.210 -0.000 0.000 0.409 107 V N 0.182 119.894 119.914 -0.337 0.000 2.270 107 V HA -0.265 3.851 4.120 -0.005 0.000 0.245 107 V C 2.738 178.378 176.094 -0.757 0.000 1.043 107 V CA 2.054 64.025 62.300 -0.549 0.000 1.014 107 V CB -0.779 30.704 31.823 -0.566 0.000 0.645 107 V HN 0.452 8.642 8.190 -0.000 0.000 0.447 108 S N -0.168 115.202 115.700 -0.550 0.000 2.374 108 S HA -0.251 4.215 4.470 -0.005 0.000 0.227 108 S C 2.128 176.576 174.600 -0.252 0.000 1.037 108 S CA 1.587 59.550 58.200 -0.395 0.000 1.024 108 S CB -0.262 62.779 63.200 -0.264 0.000 0.861 108 S HN 0.492 8.802 8.310 -0.000 0.000 0.456 109 R N 0.591 120.936 120.500 -0.260 0.000 2.193 109 R HA 0.186 4.523 4.340 -0.005 0.000 0.213 109 R C 2.542 178.735 176.300 -0.178 0.000 1.055 109 R CA 0.871 56.849 56.100 -0.203 0.000 0.995 109 R CB -0.957 29.199 30.300 -0.241 0.000 0.893 109 R HN 0.394 8.664 8.270 -0.000 0.000 0.459 110 S N 0.744 116.333 115.700 -0.185 0.000 2.402 110 S HA -0.038 4.428 4.470 -0.005 0.000 0.229 110 S C 1.495 176.133 174.600 0.065 0.000 1.021 110 S CA 0.903 59.039 58.200 -0.107 0.000 0.974 110 S CB -0.136 63.011 63.200 -0.089 0.000 0.800 110 S HN 0.136 8.446 8.310 -0.000 0.000 0.484 111 F N 1.863 121.706 119.950 -0.178 0.000 2.128 111 F HA 0.035 4.559 4.527 -0.005 0.000 0.295 111 F C 2.587 178.311 175.800 -0.126 0.000 1.100 111 F CA 0.452 58.364 58.000 -0.148 0.000 1.260 111 F CB -1.384 37.562 39.000 -0.090 0.000 1.009 111 F HN 0.236 8.536 8.300 -0.000 0.000 0.476 112 Q N 0.346 120.197 119.800 0.087 0.000 2.152 112 Q HA -0.244 4.093 4.340 -0.005 0.000 0.206 112 Q C 1.772 177.761 176.000 -0.019 0.000 0.985 112 Q CA 1.859 57.671 55.803 0.015 0.000 0.863 112 Q CB -0.092 28.631 28.738 -0.025 0.000 0.904 112 Q HN 0.291 8.561 8.270 -0.000 0.000 0.422 113 N N -0.398 118.260 118.700 -0.071 0.000 2.300 113 N HA -0.046 4.690 4.740 -0.005 0.000 0.179 113 N C 1.618 177.072 175.510 -0.093 0.000 1.016 113 N CA 1.000 53.991 53.050 -0.099 0.000 0.876 113 N CB -0.148 38.224 38.487 -0.193 0.000 0.979 113 N HN 0.287 8.667 8.380 -0.000 0.000 0.432 114 M N -0.077 119.396 119.600 -0.212 0.000 2.086 114 M HA -0.111 4.366 4.480 -0.005 0.000 0.261 114 M C 1.930 178.257 176.300 0.044 0.000 1.067 114 M CA 1.085 56.171 55.300 -0.356 0.000 1.116 114 M CB -0.188 32.004 32.600 -0.680 0.000 1.348 114 M HN -0.093 8.197 8.290 -0.000 0.000 0.407 115 V N 0.690 120.619 119.914 0.024 0.000 2.233 115 V HA -0.321 3.795 4.120 -0.005 0.000 0.247 115 V C 1.759 177.919 176.094 0.109 0.000 1.050 115 V CA 2.125 64.471 62.300 0.076 0.000 1.010 115 V CB -0.810 31.038 31.823 0.041 0.000 0.637 115 V HN 0.440 8.630 8.190 -0.000 0.000 0.444 116 D N -0.877 119.576 120.400 0.088 0.000 2.263 116 D HA -0.164 4.473 4.640 -0.005 0.000 0.208 116 D C 1.837 178.215 176.300 0.130 0.000 0.971 116 D CA 1.078 55.127 54.000 0.082 0.000 0.867 116 D CB -0.251 40.581 40.800 0.053 0.000 0.929 116 D HN 0.480 8.850 8.370 -0.000 0.000 0.492 117 F N 1.358 121.333 119.950 0.043 0.000 2.075 117 F HA -0.113 4.411 4.527 -0.006 0.000 0.297 117 F C 2.168 178.024 175.800 0.093 0.000 1.113 117 F CA 1.100 59.152 58.000 0.087 0.000 1.218 117 F CB -0.300 38.798 39.000 0.163 0.000 0.984 117 F HN -0.150 8.150 8.300 -0.000 0.000 0.472 118 L N 0.026 121.387 121.223 0.229 0.000 2.083 118 L HA -0.218 4.118 4.340 -0.005 0.000 0.209 118 L C 2.403 179.267 176.870 -0.010 0.000 1.083 118 L CA 1.491 56.386 54.840 0.092 0.000 0.752 118 L CB -0.638 41.525 42.059 0.173 0.000 0.899 118 L HN 0.066 8.296 8.230 -0.000 0.000 0.433 119 K N 0.235 120.643 120.400 0.013 0.000 2.217 119 K HA -0.136 4.181 4.320 -0.005 0.000 0.202 119 K C 2.521 179.096 176.600 -0.042 0.000 1.051 119 K CA 1.316 57.598 56.287 -0.008 0.000 0.952 119 K CB -0.104 32.402 32.500 0.010 0.000 0.736 119 K HN 0.265 8.515 8.250 -0.000 0.000 0.453 120 K N 1.413 121.770 120.400 -0.072 0.000 2.148 120 K HA -0.087 4.229 4.320 -0.005 0.000 0.204 120 K C 1.735 178.257 176.600 -0.129 0.000 1.050 120 K CA 1.309 57.538 56.287 -0.096 0.000 0.942 120 K CB -0.396 32.038 32.500 -0.111 0.000 0.724 120 K HN 0.144 8.394 8.250 -0.000 0.000 0.446 121 R N 0.291 120.682 120.500 -0.182 0.000 2.449 121 R HA 0.119 4.455 4.340 -0.005 0.000 0.262 121 R C -0.270 175.973 176.300 -0.094 0.000 1.006 121 R CA -0.350 55.651 56.100 -0.166 0.000 1.104 121 R CB 0.315 30.462 30.300 -0.254 0.000 1.206 121 R HN 0.130 8.400 8.270 -0.000 0.000 0.538 122 K N 0.204 120.564 120.400 -0.067 0.000 3.177 122 K HA -0.162 4.155 4.320 -0.005 0.000 0.266 122 K C -0.777 175.806 176.600 -0.027 0.000 0.937 122 K CA 0.563 56.828 56.287 -0.038 0.000 0.702 122 K CB -1.630 30.851 32.500 -0.033 0.000 1.365 122 K HN 0.080 8.330 8.250 -0.000 0.000 0.466 123 V N 0.580 120.479 119.914 -0.024 0.000 2.732 123 V HA 0.348 4.464 4.120 -0.005 0.000 0.310 123 V C 1.049 177.150 176.094 0.011 0.000 1.053 123 V CA -0.836 61.462 62.300 -0.004 0.000 0.957 123 V CB 1.817 33.642 31.823 0.002 0.000 1.018 123 V HN 0.206 8.396 8.190 -0.000 0.000 0.452 124 R N 2.005 122.515 120.500 0.017 0.000 2.389 124 R HA 0.528 4.865 4.340 -0.005 0.000 0.295 124 R C 0.271 176.592 176.300 0.034 0.000 1.075 124 R CA 0.182 56.294 56.100 0.021 0.000 1.005 124 R CB 0.664 30.975 30.300 0.018 0.000 0.987 124 R HN 0.848 9.118 8.270 -0.000 0.000 0.452 125 A N 2.367 125.209 122.820 0.037 0.000 2.609 125 A HA 0.023 4.339 4.320 -0.005 0.000 0.286 125 A C 0.704 178.311 177.584 0.039 0.000 1.138 125 A CA -0.427 51.641 52.037 0.052 0.000 0.960 125 A CB 0.216 19.255 19.000 0.064 0.000 1.208 125 A HN 0.808 8.958 8.150 -0.000 0.000 0.541 126 D N 0.579 120.995 120.400 0.027 0.000 2.347 126 D HA -0.129 4.507 4.640 -0.005 0.000 0.215 126 D C 1.624 177.929 176.300 0.009 0.000 0.976 126 D CA 1.261 55.270 54.000 0.015 0.000 0.884 126 D CB -0.646 40.158 40.800 0.008 0.000 0.915 126 D HN 0.385 8.755 8.370 -0.000 0.000 0.526 127 S N 1.221 116.935 115.700 0.023 0.000 2.383 127 S HA -0.147 4.320 4.470 -0.005 0.000 0.229 127 S C 2.201 176.826 174.600 0.042 0.000 1.030 127 S CA 0.553 58.767 58.200 0.023 0.000 1.002 127 S CB -0.966 62.269 63.200 0.058 0.000 0.829 127 S HN 0.263 8.573 8.310 -0.000 0.000 0.467 128 L N 1.509 122.784 121.223 0.086 0.000 2.362 128 L HA -0.050 4.286 4.340 -0.005 0.000 0.219 128 L C 2.698 179.588 176.870 0.033 0.000 1.134 128 L CA 1.064 55.974 54.840 0.116 0.000 0.807 128 L CB -1.210 40.839 42.059 -0.017 0.000 0.927 128 L HN 0.349 8.579 8.230 -0.000 0.000 0.447 129 T N 0.181 114.735 114.554 0.001 0.000 2.699 129 T HA -0.270 4.077 4.350 -0.005 0.000 0.268 129 T C 1.917 176.596 174.700 -0.035 0.000 1.036 129 T CA 1.978 64.075 62.100 -0.005 0.000 1.147 129 T CB -0.285 68.577 68.868 -0.010 0.000 0.862 129 T HN 0.523 8.763 8.240 -0.000 0.000 0.446 130 R N 0.149 120.565 120.500 -0.141 0.000 2.120 130 R HA -0.101 4.236 4.340 -0.005 0.000 0.234 130 R C 1.894 178.066 176.300 -0.213 0.000 1.123 130 R CA 1.585 57.551 56.100 -0.223 0.000 0.975 130 R CB -0.762 29.319 30.300 -0.365 0.000 0.866 130 R HN 0.405 8.675 8.270 -0.000 0.000 0.446 131 Y N 1.204 121.472 120.300 -0.053 0.000 2.337 131 Y HA 0.028 4.575 4.550 -0.005 0.000 0.293 131 Y C 2.385 178.382 175.900 0.162 0.000 1.123 131 Y CA 1.017 59.102 58.100 -0.024 0.000 1.201 131 Y CB -0.255 38.064 38.460 -0.234 0.000 1.011 131 Y HN 0.019 8.299 8.280 -0.000 0.000 0.545 132 K N 1.274 121.836 120.400 0.271 0.000 2.074 132 K HA -0.188 4.129 4.320 -0.005 0.000 0.209 132 K C 1.624 178.350 176.600 0.211 0.000 1.048 132 K CA 1.761 58.274 56.287 0.376 0.000 0.926 132 K CB -0.141 32.502 32.500 0.238 0.000 0.713 132 K HN 0.199 8.449 8.250 -0.000 0.000 0.444 133 K N -0.618 119.850 120.400 0.113 0.000 2.137 133 K HA -0.047 4.270 4.320 -0.005 0.000 0.202 133 K C 2.239 178.873 176.600 0.058 0.000 1.052 133 K CA 0.779 57.102 56.287 0.059 0.000 0.961 133 K CB 0.148 32.658 32.500 0.015 0.000 0.741 133 K HN -0.098 8.152 8.250 -0.000 0.000 0.452 134 K N 0.662 121.106 120.400 0.072 0.000 2.063 134 K HA -0.096 4.221 4.320 -0.005 0.000 0.208 134 K C 2.213 178.868 176.600 0.093 0.000 1.048 134 K CA 1.196 57.529 56.287 0.076 0.000 0.928 134 K CB -0.627 31.929 32.500 0.093 0.000 0.713 134 K HN 0.380 8.630 8.250 -0.000 0.000 0.442 135 A N 1.180 124.088 122.820 0.148 0.000 1.883 135 A HA -0.263 4.054 4.320 -0.005 0.000 0.217 135 A C 2.166 179.760 177.584 0.015 0.000 1.186 135 A CA 2.120 54.205 52.037 0.080 0.000 0.624 135 A CB -0.593 18.450 19.000 0.071 0.000 0.822 135 A HN 0.638 8.788 8.150 -0.000 0.000 0.444 136 E N -0.328 119.888 120.200 0.026 0.000 2.085 136 E HA -0.224 4.122 4.350 -0.005 0.000 0.194 136 E C 1.924 178.526 176.600 0.003 0.000 0.994 136 E CA 1.519 57.921 56.400 0.004 0.000 0.801 136 E CB -0.224 29.484 29.700 0.013 0.000 0.743 136 E HN 0.759 9.119 8.360 -0.000 0.000 0.453 137 E N 0.634 120.842 120.200 0.013 0.000 2.347 137 E HA 0.021 4.367 4.350 -0.005 0.000 0.196 137 E C 0.430 177.033 176.600 0.005 0.000 1.008 137 E CA 0.028 56.433 56.400 0.008 0.000 0.852 137 E CB 0.086 29.793 29.700 0.011 0.000 0.783 137 E HN 0.131 8.491 8.360 -0.000 0.000 0.505 138 A N 1.360 124.184 122.820 0.006 0.000 2.531 138 A HA 0.065 4.382 4.320 -0.005 0.000 0.236 138 A C 1.122 178.700 177.584 -0.010 0.000 1.062 138 A CA 0.397 52.434 52.037 0.000 0.000 0.760 138 A CB 0.268 19.267 19.000 -0.002 0.000 0.995 138 A HN 0.212 8.362 8.150 -0.000 0.000 0.501 139 S N 0.494 116.188 115.700 -0.010 0.000 2.540 139 S HA 0.173 4.639 4.470 -0.005 0.000 0.222 139 S C 0.193 174.781 174.600 -0.020 0.000 1.008 139 S CA 0.130 58.321 58.200 -0.014 0.000 0.939 139 S CB -0.383 62.811 63.200 -0.010 0.000 0.865 139 S HN 1.000 9.310 8.310 -0.000 0.000 0.499 140 N N -0.742 117.945 118.700 -0.021 0.000 2.647 140 N HA 0.479 5.215 4.740 -0.005 0.000 0.266 140 N C 0.356 175.846 175.510 -0.035 0.000 1.373 140 N CA -0.854 52.179 53.050 -0.030 0.000 0.807 140 N CB 0.902 39.372 38.487 -0.027 0.000 1.513 140 N HN -0.176 8.204 8.380 -0.000 0.000 0.505 141 V N -0.214 119.674 119.914 -0.044 0.000 2.515 141 V HA -0.207 3.909 4.120 -0.005 0.000 0.250 141 V C 2.378 178.444 176.094 -0.046 0.000 1.058 141 V CA 2.151 64.421 62.300 -0.050 0.000 1.064 141 V CB -1.212 30.578 31.823 -0.054 0.000 0.675 141 V HN 0.879 9.069 8.190 -0.000 0.000 0.461 142 S N 0.372 116.051 115.700 -0.035 0.000 2.368 142 S HA -0.297 4.170 4.470 -0.005 0.000 0.225 142 S C 1.980 176.566 174.600 -0.022 0.000 1.030 142 S CA 1.771 59.954 58.200 -0.029 0.000 0.999 142 S CB -0.485 62.705 63.200 -0.018 0.000 0.844 142 S HN 0.706 9.016 8.310 -0.000 0.000 0.459 143 E N 0.411 120.602 120.200 -0.015 0.000 2.070 143 E HA -0.193 4.154 4.350 -0.005 0.000 0.197 143 E C 2.053 178.651 176.600 -0.003 0.000 1.004 143 E CA 1.431 57.830 56.400 -0.003 0.000 0.805 143 E CB -0.266 29.434 29.700 -0.000 0.000 0.744 143 E HN 0.460 8.820 8.360 -0.000 0.000 0.451 144 L N 0.460 121.670 121.223 -0.023 0.000 2.083 144 L HA -0.134 4.203 4.340 -0.005 0.000 0.209 144 L C 2.405 179.245 176.870 -0.050 0.000 1.083 144 L CA 1.736 56.553 54.840 -0.038 0.000 0.752 144 L CB -0.581 41.437 42.059 -0.069 0.000 0.899 144 L HN 0.316 8.546 8.230 -0.000 0.000 0.433 145 M N -0.793 118.766 119.600 -0.068 0.000 2.159 145 M HA -0.047 4.429 4.480 -0.005 0.000 0.263 145 M C 2.049 178.322 176.300 -0.045 0.000 1.063 145 M CA 1.894 57.136 55.300 -0.096 0.000 1.110 145 M CB -1.110 31.415 32.600 -0.124 0.000 1.374 145 M HN 0.218 8.508 8.290 -0.000 0.000 0.411 146 G N 0.203 108.995 108.800 -0.014 0.000 2.480 146 G HA2 -0.219 3.737 3.960 -0.005 0.000 0.216 146 G HA3 -0.219 3.737 3.960 -0.005 0.000 0.216 146 G C 1.522 176.447 174.900 0.042 0.000 1.200 146 G CA 1.363 46.472 45.100 0.015 0.000 0.782 146 G HN 0.540 8.830 8.290 -0.000 0.000 0.554 147 I N 0.423 121.037 120.570 0.074 0.000 2.248 147 I HA -0.174 3.993 4.170 -0.005 0.000 0.248 147 I C 2.745 178.952 176.117 0.150 0.000 1.107 147 I CA 1.295 62.685 61.300 0.149 0.000 1.373 147 I CB -0.112 38.012 38.000 0.206 0.000 1.055 147 I HN 0.177 8.387 8.210 -0.000 0.000 0.418 148 E N 0.970 121.249 120.200 0.133 0.000 2.072 148 E HA -0.162 4.184 4.350 -0.005 0.000 0.191 148 E C 2.271 178.893 176.600 0.037 0.000 0.985 148 E CA 1.383 57.879 56.400 0.161 0.000 0.801 148 E CB -0.247 29.478 29.700 0.043 0.000 0.750 148 E HN 0.522 8.882 8.360 -0.000 0.000 0.452 149 G N 1.458 110.262 108.800 0.006 0.000 2.446 149 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.217 149 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.217 149 G C 1.528 176.398 174.900 -0.050 0.000 1.168 149 G CA 0.833 45.931 45.100 -0.003 0.000 0.771 149 G HN 0.231 8.521 8.290 -0.000 0.000 0.551 150 N N 1.349 120.010 118.700 -0.065 0.000 2.104 150 N HA -0.108 4.629 4.740 -0.005 0.000 0.190 150 N C 2.464 177.709 175.510 -0.442 0.000 1.024 150 N CA 1.411 54.378 53.050 -0.138 0.000 0.853 150 N CB -0.617 37.864 38.487 -0.011 0.000 1.008 150 N HN 0.331 8.711 8.380 -0.000 0.000 0.424 151 A N 1.020 123.470 122.820 -0.616 0.000 1.902 151 A HA -0.139 4.178 4.320 -0.005 0.000 0.217 151 A C 2.308 179.603 177.584 -0.481 0.000 1.181 151 A CA 1.627 53.113 52.037 -0.919 0.000 0.623 151 A CB -0.468 17.997 19.000 -0.890 0.000 0.818 151 A HN 0.181 8.331 8.150 -0.000 0.000 0.443 152 R N 0.262 120.591 120.500 -0.284 0.000 2.083 152 R HA -0.141 4.195 4.340 -0.005 0.000 0.237 152 R C 1.982 178.184 176.300 -0.164 0.000 1.137 152 R CA 2.181 58.137 56.100 -0.240 0.000 0.951 152 R CB -0.583 29.628 30.300 -0.148 0.000 0.851 152 R HN 0.709 8.979 8.270 -0.000 0.000 0.434 153 E N -0.274 119.907 120.200 -0.032 0.000 2.023 153 E HA -0.282 4.065 4.350 -0.005 0.000 0.196 153 E C 1.883 178.497 176.600 0.023 0.000 1.003 153 E CA 1.704 58.151 56.400 0.077 0.000 0.809 153 E CB -0.234 29.494 29.700 0.047 0.000 0.755 153 E HN 0.425 8.785 8.360 -0.000 0.000 0.449 154 E N 0.494 120.657 120.200 -0.062 0.000 2.086 154 E HA -0.287 4.059 4.350 -0.005 0.000 0.200 154 E C 1.944 178.539 176.600 -0.009 0.000 1.012 154 E CA 1.722 58.108 56.400 -0.024 0.000 0.812 154 E CB -0.478 29.195 29.700 -0.044 0.000 0.743 154 E HN 0.435 8.795 8.360 -0.000 0.000 0.453 155 Y N -0.561 119.621 120.300 -0.197 0.000 2.274 155 Y HA -0.231 4.316 4.550 -0.005 0.000 0.290 155 Y C 1.574 177.401 175.900 -0.121 0.000 1.145 155 Y CA 1.725 59.711 58.100 -0.189 0.000 1.203 155 Y CB -0.403 37.868 38.460 -0.314 0.000 0.984 155 Y HN 0.117 8.397 8.280 -0.000 0.000 0.533 156 Y N 0.144 120.318 120.300 -0.210 0.000 2.352 156 Y HA -0.170 4.377 4.550 -0.005 0.000 0.292 156 Y C 2.765 178.510 175.900 -0.259 0.000 1.136 156 Y CA 1.241 59.167 58.100 -0.291 0.000 1.227 156 Y CB -0.859 37.501 38.460 -0.166 0.000 0.991 156 Y HN 0.154 8.434 8.280 -0.000 0.000 0.545 157 S N -0.231 115.451 115.700 -0.030 0.000 2.356 157 S HA -0.214 4.253 4.470 -0.005 0.000 0.223 157 S C 2.002 176.566 174.600 -0.060 0.000 1.032 157 S CA 1.624 59.791 58.200 -0.055 0.000 1.005 157 S CB -0.377 62.825 63.200 0.002 0.000 0.867 157 S HN 0.447 8.757 8.310 -0.000 0.000 0.449 158 M N 0.426 119.988 119.600 -0.062 0.000 2.319 158 M HA 0.078 4.554 4.480 -0.005 0.000 0.265 158 M C 1.841 178.117 176.300 -0.041 0.000 1.068 158 M CA 1.019 56.300 55.300 -0.033 0.000 1.118 158 M CB -0.467 32.124 32.600 -0.014 0.000 1.395 158 M HN 0.233 8.523 8.290 -0.000 0.000 0.435 159 I N 0.390 120.895 120.570 -0.109 0.000 2.353 159 I HA -0.257 3.910 4.170 -0.005 0.000 0.248 159 I C 1.746 177.894 176.117 0.052 0.000 1.119 159 I CA 1.107 62.401 61.300 -0.009 0.000 1.417 159 I CB -0.423 37.551 38.000 -0.043 0.000 1.078 159 I HN 0.249 8.459 8.210 -0.000 0.000 0.421 160 D N 0.597 120.957 120.400 -0.067 0.000 2.182 160 D HA -0.154 4.482 4.640 -0.005 0.000 0.201 160 D C 2.184 178.545 176.300 0.101 0.000 0.986 160 D CA 1.636 55.522 54.000 -0.191 0.000 0.847 160 D CB -0.054 40.285 40.800 -0.768 0.000 0.942 160 D HN 0.314 8.684 8.370 -0.000 0.000 0.467 161 S N -0.597 115.160 115.700 0.095 0.000 2.603 161 S HA 0.017 4.484 4.470 -0.005 0.000 0.229 161 S C 1.569 176.224 174.600 0.092 0.000 0.972 161 S CA 0.133 58.410 58.200 0.128 0.000 0.935 161 S CB -0.248 63.003 63.200 0.085 0.000 0.769 161 S HN 0.236 8.546 8.310 -0.000 0.000 0.536 162 L N 1.392 122.665 121.223 0.083 0.000 2.766 162 L HA 0.382 4.719 4.340 -0.005 0.000 0.242 162 L C 0.136 177.030 176.870 0.040 0.000 1.136 162 L CA -0.299 54.569 54.840 0.046 0.000 0.933 162 L CB 1.040 43.114 42.059 0.026 0.000 1.241 162 L HN 0.362 8.592 8.230 -0.000 0.000 0.522 163 V N -3.883 116.087 119.914 0.093 0.000 2.398 163 V HA 0.379 4.495 4.120 -0.005 0.000 0.286 163 V C 0.943 177.094 176.094 0.094 0.000 1.026 163 V CA -0.155 62.190 62.300 0.075 0.000 0.868 163 V CB 1.825 33.720 31.823 0.120 0.000 0.982 163 V HN 0.088 8.278 8.190 -0.000 0.000 0.443 164 S N 3.128 118.846 115.700 0.030 0.000 2.371 164 S HA -0.032 4.435 4.470 -0.005 0.000 0.224 164 S C 0.756 175.352 174.600 -0.007 0.000 1.029 164 S CA 1.331 59.536 58.200 0.009 0.000 0.978 164 S CB -0.366 62.826 63.200 -0.014 0.000 0.833 164 S HN 1.026 9.336 8.310 -0.000 0.000 0.466 165 D N 0.701 121.095 120.400 -0.011 0.000 2.380 165 D HA 0.410 5.047 4.640 -0.005 0.000 0.254 165 D C 1.596 177.865 176.300 -0.052 0.000 1.288 165 D CA 0.603 54.574 54.000 -0.048 0.000 1.008 165 D CB 0.047 40.803 40.800 -0.074 0.000 1.099 165 D HN 0.275 8.645 8.370 -0.000 0.000 0.537 166 E N -0.942 119.196 120.200 -0.104 0.000 2.204 166 E HA 0.003 4.350 4.350 -0.005 0.000 0.194 166 E C 1.548 178.152 176.600 0.007 0.000 0.989 166 E CA 1.384 57.727 56.400 -0.096 0.000 0.824 166 E CB -1.054 28.566 29.700 -0.133 0.000 0.756 166 E HN 0.552 8.912 8.360 -0.000 0.000 0.477 167 R N -0.015 120.448 120.500 -0.062 0.000 2.630 167 R HA 0.516 4.852 4.340 -0.005 0.000 0.286 167 R C -0.334 176.172 176.300 0.343 0.000 1.391 167 R CA 0.517 56.661 56.100 0.072 0.000 1.027 167 R CB -1.703 28.580 30.300 -0.028 0.000 1.099 167 R HN 0.784 9.054 8.270 -0.000 0.000 0.525 168 F N 0.177 120.230 119.950 0.171 0.000 2.622 168 F HA 0.476 5.000 4.527 -0.005 0.000 0.318 168 F C 0.921 176.785 175.800 0.107 0.000 1.135 168 F CA -0.332 57.769 58.000 0.167 0.000 1.015 168 F CB 1.263 40.317 39.000 0.090 0.000 1.275 168 F HN 0.462 8.762 8.300 -0.000 0.000 0.457 169 R N 4.788 125.132 120.500 -0.260 0.000 2.083 169 R HA 0.225 4.562 4.340 -0.005 0.000 0.237 169 R C 2.093 178.317 176.300 -0.126 0.000 1.137 169 R CA 3.698 59.639 56.100 -0.266 0.000 0.951 169 R CB -1.873 28.166 30.300 -0.434 0.000 0.851 169 R HN 2.282 10.552 8.270 -0.000 0.000 0.434 170 I N -3.533 116.917 120.570 -0.199 0.000 4.892 170 I HA 0.128 4.295 4.170 -0.005 0.000 0.062 170 I C 0.588 176.695 176.117 -0.016 0.000 0.818 170 I CA 2.874 64.243 61.300 0.116 0.000 0.302 170 I CB -1.617 36.546 38.000 0.272 0.000 0.600 170 I HN 1.936 10.146 8.210 -0.000 0.000 0.185 171 E N 0.509 120.724 120.200 0.025 0.000 2.454 171 E HA 0.899 5.246 4.350 -0.005 0.000 0.315 171 E C 0.385 176.989 176.600 0.007 0.000 0.907 171 E CA 0.818 57.216 56.400 -0.003 0.000 0.797 171 E CB 0.081 29.790 29.700 0.016 0.000 1.396 171 E HN 3.103 11.463 8.360 -0.000 0.000 0.389 172 K N -1.156 119.237 120.400 -0.012 0.000 6.806 172 K HA 0.388 4.705 4.320 -0.005 0.000 0.764 172 K C 0.263 176.817 176.600 -0.076 0.000 2.469 172 K CA 1.268 57.523 56.287 -0.054 0.000 1.793 172 K CB -2.426 30.030 32.500 -0.074 0.000 2.301 172 K HN 2.356 10.606 8.250 -0.000 0.000 0.246 173 R N 1.191 121.643 120.500 -0.081 0.000 2.623 173 R HA 0.635 4.972 4.340 -0.005 0.000 0.271 173 R C 1.636 177.925 176.300 -0.018 0.000 1.043 173 R CA 0.936 56.999 56.100 -0.061 0.000 1.083 173 R CB -0.706 29.567 30.300 -0.046 0.000 0.974 173 R HN 2.247 10.517 8.270 -0.000 0.000 0.436 174 T N -0.023 114.523 114.554 -0.012 0.000 3.946 174 T HA -0.182 4.164 4.350 -0.005 0.000 0.356 174 T C 1.419 176.101 174.700 -0.030 0.000 0.758 174 T CA 1.769 63.856 62.100 -0.022 0.000 1.911 174 T CB -1.724 67.123 68.868 -0.036 0.000 1.835 174 T HN 1.262 9.502 8.240 -0.000 0.000 0.807 175 R N -0.689 119.804 120.500 -0.012 0.000 2.237 175 R HA 0.600 4.936 4.340 -0.005 0.000 0.195 175 R C 2.156 178.454 176.300 -0.002 0.000 0.956 175 R CA 1.960 58.052 56.100 -0.013 0.000 1.029 175 R CB -0.778 29.528 30.300 0.009 0.000 0.972 175 R HN 0.818 9.088 8.270 -0.000 0.000 0.493 176 R N 1.391 121.906 120.500 0.027 0.000 2.247 176 R HA 0.058 4.394 4.340 -0.005 0.000 0.179 176 R C -1.197 175.155 176.300 0.087 0.000 0.910 176 R CA 1.365 57.504 56.100 0.065 0.000 1.095 176 R CB -2.062 28.273 30.300 0.058 0.000 0.663 176 R HN 0.454 8.724 8.270 -0.000 0.000 0.538 177 P HA 0.266 4.686 4.420 -0.000 0.000 0.287 177 P C -2.542 174.772 177.300 0.022 0.000 1.294 177 P CA -1.587 61.553 63.100 0.068 0.000 0.776 177 P CB 1.326 33.062 31.700 0.060 0.000 0.889 178 P HA 0.058 4.478 4.420 -0.000 0.000 0.260 178 P C 0.347 177.619 177.300 -0.047 0.000 1.207 178 P CA 0.335 63.420 63.100 -0.025 0.000 0.780 178 P CB 0.074 31.760 31.700 -0.023 0.000 0.789 179 K N 2.520 122.888 120.400 -0.053 0.000 2.708 179 K HA 0.141 4.458 4.320 -0.005 0.000 0.219 179 K C 0.495 177.031 176.600 -0.108 0.000 1.068 179 K CA 0.042 56.288 56.287 -0.069 0.000 1.212 179 K CB -0.842 31.637 32.500 -0.036 0.000 0.978 179 K HN 0.831 9.081 8.250 -0.000 0.000 0.475 180 N N -3.409 115.198 118.700 -0.155 0.000 3.373 180 N HA 0.296 5.032 4.740 -0.005 0.000 0.275 180 N C 0.119 175.445 175.510 -0.307 0.000 1.489 180 N CA -0.688 52.211 53.050 -0.252 0.000 0.872 180 N CB -0.117 38.343 38.487 -0.046 0.000 1.555 180 N HN -0.160 8.220 8.380 -0.000 0.000 0.500 181 F N -0.006 119.787 119.950 -0.262 0.000 2.046 181 F HA 0.048 4.572 4.527 -0.005 0.000 0.297 181 F C 2.712 178.453 175.800 -0.098 0.000 1.123 181 F CA 2.226 59.952 58.000 -0.457 0.000 1.199 181 F CB -0.904 37.797 39.000 -0.498 0.000 0.972 181 F HN 0.705 9.005 8.300 -0.000 0.000 0.474 182 A N 0.587 123.533 122.820 0.211 0.000 1.883 182 A HA -0.220 4.096 4.320 -0.005 0.000 0.217 182 A C 2.152 179.666 177.584 -0.117 0.000 1.186 182 A CA 2.034 54.133 52.037 0.103 0.000 0.624 182 A CB -1.044 17.968 19.000 0.020 0.000 0.822 182 A HN 0.441 8.591 8.150 -0.000 0.000 0.444 183 N N -0.299 118.328 118.700 -0.122 0.000 2.061 183 N HA -0.145 4.592 4.740 -0.005 0.000 0.193 183 N C 1.770 177.240 175.510 -0.067 0.000 1.030 183 N CA 2.131 55.093 53.050 -0.146 0.000 0.856 183 N CB -0.753 37.666 38.487 -0.114 0.000 1.023 183 N HN 0.533 8.913 8.380 -0.000 0.000 0.424 184 T N 2.076 116.630 114.554 0.000 0.000 2.759 184 T HA -0.065 4.281 4.350 -0.005 0.000 0.269 184 T C 2.201 176.962 174.700 0.102 0.000 1.042 184 T CA 0.790 62.931 62.100 0.068 0.000 1.140 184 T CB -0.169 68.783 68.868 0.140 0.000 0.864 184 T HN 0.157 8.397 8.240 -0.000 0.000 0.455 185 L N -0.033 121.289 121.223 0.165 0.000 2.095 185 L HA 0.017 4.354 4.340 -0.005 0.000 0.204 185 L C 2.421 179.375 176.870 0.140 0.000 1.080 185 L CA 0.551 55.521 54.840 0.216 0.000 0.759 185 L CB -0.386 41.971 42.059 0.497 0.000 0.914 185 L HN 0.188 8.418 8.230 -0.000 0.000 0.439 186 I N -0.538 120.018 120.570 -0.023 0.000 2.142 186 I HA -0.251 3.916 4.170 -0.005 0.000 0.240 186 I C 2.686 178.773 176.117 -0.051 0.000 1.078 186 I CA 1.318 62.561 61.300 -0.096 0.000 1.343 186 I CB -1.199 36.593 38.000 -0.346 0.000 1.046 186 I HN 0.147 8.357 8.210 -0.000 0.000 0.405 187 S N 0.712 116.377 115.700 -0.057 0.000 2.365 187 S HA -0.242 4.225 4.470 -0.005 0.000 0.225 187 S C 1.945 176.533 174.600 -0.021 0.000 1.039 187 S CA 1.705 59.879 58.200 -0.043 0.000 1.033 187 S CB -0.515 62.666 63.200 -0.032 0.000 0.887 187 S HN 0.417 8.727 8.310 -0.000 0.000 0.447 188 F N 1.948 121.802 119.950 -0.160 0.000 2.113 188 F HA 0.055 4.579 4.527 -0.005 0.000 0.297 188 F C 2.306 177.962 175.800 -0.241 0.000 1.103 188 F CA 1.391 59.266 58.000 -0.208 0.000 1.248 188 F CB -1.095 37.676 39.000 -0.381 0.000 0.999 188 F HN 0.213 8.513 8.300 -0.000 0.000 0.475 189 G N 0.200 108.884 108.800 -0.193 0.000 2.446 189 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.217 189 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.217 189 G C 1.541 176.382 174.900 -0.100 0.000 1.168 189 G CA 1.053 46.170 45.100 0.028 0.000 0.771 189 G HN 0.337 8.627 8.290 -0.000 0.000 0.551 190 N N 0.911 119.500 118.700 -0.186 0.000 2.094 190 N HA -0.100 4.637 4.740 -0.005 0.000 0.191 190 N C 2.541 177.532 175.510 -0.865 0.000 1.023 190 N CA 1.421 54.169 53.050 -0.504 0.000 0.857 190 N CB -0.501 37.700 38.487 -0.476 0.000 1.013 190 N HN 0.241 8.621 8.380 -0.000 0.000 0.426 191 S N 0.743 116.131 115.700 -0.521 0.000 2.356 191 S HA -0.005 4.461 4.470 -0.005 0.000 0.223 191 S C 2.061 176.497 174.600 -0.273 0.000 1.032 191 S CA 0.681 58.693 58.200 -0.312 0.000 1.005 191 S CB -0.285 62.919 63.200 0.007 0.000 0.867 191 S HN 0.263 8.573 8.310 -0.000 0.000 0.449 192 L N 0.616 121.612 121.223 -0.378 0.000 2.042 192 L HA -0.131 4.206 4.340 -0.005 0.000 0.210 192 L C 2.401 179.140 176.870 -0.218 0.000 1.076 192 L CA 0.834 55.412 54.840 -0.436 0.000 0.749 192 L CB -0.506 40.940 42.059 -1.023 0.000 0.893 192 L HN 0.286 8.516 8.230 -0.000 0.000 0.432 193 L N -1.220 119.943 121.223 -0.101 0.000 2.056 193 L HA -0.213 4.124 4.340 -0.005 0.000 0.207 193 L C 2.478 179.365 176.870 0.028 0.000 1.078 193 L CA 1.740 56.625 54.840 0.076 0.000 0.749 193 L CB -0.655 41.441 42.059 0.061 0.000 0.901 193 L HN 0.095 8.325 8.230 -0.000 0.000 0.433 194 Y N -0.330 119.899 120.300 -0.118 0.000 2.207 194 Y HA -0.202 4.345 4.550 -0.006 0.000 0.287 194 Y C 2.714 178.437 175.900 -0.296 0.000 1.156 194 Y CA 1.457 59.434 58.100 -0.204 0.000 1.182 194 Y CB -1.730 36.559 38.460 -0.284 0.000 0.979 194 Y HN 0.199 8.479 8.280 -0.000 0.000 0.521 195 T N -0.915 113.489 114.554 -0.251 0.000 2.812 195 T HA -0.119 4.228 4.350 -0.005 0.000 0.264 195 T C 1.950 176.453 174.700 -0.329 0.000 1.042 195 T CA 1.908 63.692 62.100 -0.527 0.000 1.140 195 T CB -0.352 68.173 68.868 -0.572 0.000 0.870 195 T HN 0.350 8.590 8.240 -0.000 0.000 0.445 196 T N 1.816 116.312 114.554 -0.098 0.000 2.777 196 T HA -0.047 4.300 4.350 -0.005 0.000 0.266 196 T C 2.151 176.857 174.700 0.009 0.000 1.040 196 T CA 0.827 62.942 62.100 0.025 0.000 1.141 196 T CB -0.416 68.547 68.868 0.158 0.000 0.868 196 T HN 0.156 8.396 8.240 -0.000 0.000 0.444 197 V N 1.650 121.560 119.914 -0.007 0.000 2.407 197 V HA -0.102 4.015 4.120 -0.005 0.000 0.248 197 V C 2.386 178.482 176.094 0.003 0.000 1.055 197 V CA 1.097 63.387 62.300 -0.017 0.000 1.049 197 V CB -0.713 31.114 31.823 0.007 0.000 0.662 197 V HN 0.309 8.499 8.190 -0.000 0.000 0.455 198 L N 1.307 122.531 121.223 0.003 0.000 2.017 198 L HA -0.148 4.189 4.340 -0.005 0.000 0.208 198 L C 2.607 179.596 176.870 0.197 0.000 1.073 198 L CA 2.585 57.450 54.840 0.041 0.000 0.745 198 L CB -0.789 41.303 42.059 0.056 0.000 0.894 198 L HN 0.502 8.732 8.230 -0.000 0.000 0.432 199 S N -1.466 114.370 115.700 0.227 0.000 2.436 199 S HA -0.077 4.390 4.470 -0.005 0.000 0.228 199 S C 2.027 176.747 174.600 0.200 0.000 1.014 199 S CA 0.948 59.306 58.200 0.263 0.000 0.950 199 S CB -0.750 62.617 63.200 0.277 0.000 0.784 199 S HN 0.456 8.766 8.310 -0.000 0.000 0.504 200 L N 0.980 122.270 121.223 0.112 0.000 2.046 200 L HA -0.002 4.335 4.340 -0.005 0.000 0.208 200 L C 2.438 179.331 176.870 0.038 0.000 1.077 200 L CA 1.200 56.071 54.840 0.051 0.000 0.747 200 L CB -0.629 41.419 42.059 -0.017 0.000 0.896 200 L HN 0.271 8.501 8.230 -0.000 0.000 0.432 201 I N -1.501 119.103 120.570 0.057 0.000 2.286 201 I HA -0.340 3.827 4.170 -0.005 0.000 0.248 201 I C 2.476 178.649 176.117 0.094 0.000 1.115 201 I CA 1.216 62.541 61.300 0.043 0.000 1.392 201 I CB -0.343 37.664 38.000 0.011 0.000 1.065 201 I HN 0.204 8.414 8.210 -0.000 0.000 0.418 202 Y N 1.926 122.264 120.300 0.064 0.000 2.256 202 Y HA -0.246 4.301 4.550 -0.004 0.000 0.288 202 Y C 2.102 177.958 175.900 -0.073 0.000 1.155 202 Y CA 1.541 59.626 58.100 -0.025 0.000 1.203 202 Y CB -0.284 38.090 38.460 -0.142 0.000 0.980 202 Y HN 0.268 8.548 8.280 -0.000 0.000 0.530 203 Q N 0.370 120.125 119.800 -0.074 0.000 2.282 203 Q HA 0.107 4.444 4.340 -0.005 0.000 0.205 203 Q C 0.330 176.238 176.000 -0.155 0.000 0.915 203 Q CA 0.542 56.284 55.803 -0.101 0.000 0.949 203 Q CB 0.051 28.827 28.738 0.063 0.000 1.035 203 Q HN 0.419 8.689 8.270 -0.000 0.000 0.484 204 T N -4.727 109.706 114.554 -0.202 0.000 2.888 204 T HA 0.274 4.621 4.350 -0.005 0.000 0.288 204 T C 0.222 174.789 174.700 -0.222 0.000 1.063 204 T CA -0.744 61.290 62.100 -0.111 0.000 1.010 204 T CB 1.089 69.939 68.868 -0.031 0.000 1.214 204 T HN 0.068 8.308 8.240 -0.000 0.000 0.533 205 H N -0.620 118.389 119.070 -0.102 0.000 2.547 205 H HA 0.433 4.986 4.556 -0.005 0.000 0.266 205 H C 0.363 175.662 175.328 -0.047 0.000 0.988 205 H CA -0.028 55.962 56.048 -0.097 0.000 1.147 205 H CB -0.367 29.367 29.762 -0.047 0.000 1.365 205 H HN 0.250 8.530 8.280 -0.000 0.000 0.589 206 L N 0.765 122.030 121.223 0.069 0.000 2.452 206 L HA 0.044 4.381 4.340 -0.005 0.000 0.267 206 L C 0.578 177.460 176.870 0.021 0.000 1.188 206 L CA 0.035 54.908 54.840 0.055 0.000 0.821 206 L CB 0.534 42.623 42.059 0.050 0.000 1.102 206 L HN 0.236 8.466 8.230 -0.000 0.000 0.470 207 D N 3.486 123.893 120.400 0.013 0.000 2.280 207 D HA 0.192 4.829 4.640 -0.005 0.000 0.236 207 D C -1.834 174.410 176.300 -0.092 0.000 1.082 207 D CA -1.822 52.168 54.000 -0.017 0.000 0.834 207 D CB 2.186 42.992 40.800 0.011 0.000 1.100 207 D HN 0.235 8.605 8.370 -0.000 0.000 0.486 208 P HA -0.027 4.393 4.420 -0.000 0.000 0.234 208 P C 0.929 178.124 177.300 -0.174 0.000 1.167 208 P CA 0.392 63.283 63.100 -0.347 0.000 0.763 208 P CB 0.413 31.570 31.700 -0.905 0.000 0.835 209 R N -0.540 119.928 120.500 -0.053 0.000 2.236 209 R HA 0.182 4.519 4.340 -0.005 0.000 0.208 209 R C 0.847 177.066 176.300 -0.135 0.000 1.036 209 R CA 0.383 56.517 56.100 0.057 0.000 1.001 209 R CB -0.151 30.244 30.300 0.159 0.000 0.896 209 R HN 0.250 8.520 8.270 -0.000 0.000 0.464 210 I N 0.882 121.334 120.570 -0.196 0.000 2.359 210 I HA 0.273 4.440 4.170 -0.005 0.000 0.284 210 I C 0.310 176.150 176.117 -0.462 0.000 1.018 210 I CA -0.560 60.507 61.300 -0.389 0.000 1.173 210 I CB 1.790 39.601 38.000 -0.314 0.000 1.326 210 I HN -0.006 8.204 8.210 -0.000 0.000 0.462 211 G N 3.531 112.050 108.800 -0.468 0.000 2.597 211 G HA2 0.490 4.447 3.960 -0.005 0.000 0.317 211 G HA3 0.490 4.447 3.960 -0.005 0.000 0.317 211 G C -0.699 173.986 174.900 -0.358 0.000 1.230 211 G CA -0.071 44.839 45.100 -0.317 0.000 0.996 211 G HN 0.463 8.753 8.290 -0.000 0.000 0.490 212 Y N -0.891 119.520 120.300 0.185 0.000 2.736 212 Y HA 0.221 4.768 4.550 -0.005 0.000 0.272 212 Y C 2.177 178.142 175.900 0.108 0.000 1.118 212 Y CA -0.122 58.102 58.100 0.206 0.000 1.248 212 Y CB -0.199 38.350 38.460 0.149 0.000 1.437 212 Y HN 0.409 8.689 8.280 -0.000 0.000 0.481 213 L N 0.238 121.587 121.223 0.211 0.000 2.007 213 L HA 0.002 4.339 4.340 -0.005 0.000 0.205 213 L C 0.135 176.972 176.870 -0.055 0.000 1.073 213 L CA 1.591 56.453 54.840 0.037 0.000 0.744 213 L CB -0.833 41.216 42.059 -0.015 0.000 0.898 213 L HN 0.123 8.353 8.230 -0.000 0.000 0.435 214 H N 0.989 120.073 119.070 0.023 0.000 2.929 214 H HA 0.139 4.692 4.556 -0.005 0.000 0.317 214 H C 0.044 175.378 175.328 0.010 0.000 1.031 214 H CA 0.183 56.227 56.048 -0.006 0.000 1.466 214 H CB -0.003 29.731 29.762 -0.047 0.000 1.482 214 H HN 0.321 8.601 8.280 -0.000 0.000 0.561 215 E N 1.945 122.201 120.200 0.093 0.000 2.437 215 E HA -0.045 4.302 4.350 -0.005 0.000 0.263 215 E C -0.376 176.182 176.600 -0.070 0.000 1.030 215 E CA 0.031 56.486 56.400 0.092 0.000 0.934 215 E CB 0.539 30.269 29.700 0.049 0.000 0.943 215 E HN 0.567 8.927 8.360 -0.000 0.000 0.444 216 T N 4.767 119.170 114.554 -0.251 0.000 2.875 216 T HA 0.126 4.473 4.350 -0.005 0.000 0.307 216 T C 0.291 174.550 174.700 -0.734 0.000 1.013 216 T CA -0.331 61.362 62.100 -0.678 0.000 0.970 216 T CB -0.040 68.085 68.868 -1.239 0.000 0.986 216 T HN 0.477 8.717 8.240 -0.000 0.000 0.536 217 N N 2.225 120.602 118.700 -0.540 0.000 2.305 217 N HA 0.160 4.897 4.740 -0.005 0.000 0.179 217 N C -0.185 175.072 175.510 -0.421 0.000 1.019 217 N CA -0.004 52.822 53.050 -0.374 0.000 0.869 217 N CB -0.039 38.356 38.487 -0.153 0.000 1.000 217 N HN 0.498 8.878 8.380 -0.000 0.000 0.431 218 F N -1.033 118.861 119.950 -0.094 0.000 2.737 218 F HA -0.163 4.361 4.527 -0.006 0.000 0.286 218 F C 0.577 176.318 175.800 -0.097 0.000 0.757 218 F CA -0.049 57.897 58.000 -0.091 0.000 1.542 218 F CB -1.904 37.052 39.000 -0.074 0.000 1.729 218 F HN 0.070 8.370 8.300 -0.000 0.000 0.406 219 R N -0.362 120.119 120.500 -0.032 0.000 2.531 219 R HA 0.389 4.726 4.340 -0.005 0.000 0.316 219 R C 0.518 176.739 176.300 -0.132 0.000 0.955 219 R CA 0.296 56.358 56.100 -0.063 0.000 1.120 219 R CB 0.939 31.211 30.300 -0.046 0.000 1.361 219 R HN 0.493 8.763 8.270 -0.000 0.000 0.534 220 R N -1.427 118.968 120.500 -0.176 0.000 2.741 220 R HA 0.264 4.601 4.340 -0.005 0.000 0.276 220 R C -1.506 174.664 176.300 -0.218 0.000 1.028 220 R CA -0.880 55.072 56.100 -0.247 0.000 0.865 220 R CB 0.228 30.435 30.300 -0.155 0.000 1.268 220 R HN -0.279 7.991 8.270 -0.000 0.000 0.475 221 F N 1.385 121.252 119.950 -0.139 0.000 2.438 221 F HA 0.334 4.858 4.527 -0.005 0.000 0.360 221 F C 1.004 176.673 175.800 -0.219 0.000 1.118 221 F CA -0.491 57.399 58.000 -0.183 0.000 1.164 221 F CB 1.440 40.325 39.000 -0.192 0.000 1.131 221 F HN 0.632 8.932 8.300 -0.000 0.000 0.527 222 S N 2.602 118.287 115.700 -0.025 0.000 2.404 222 S HA -0.089 4.378 4.470 -0.005 0.000 0.223 222 S C 1.956 176.484 174.600 -0.121 0.000 1.040 222 S CA 0.089 58.220 58.200 -0.115 0.000 0.957 222 S CB -0.204 62.919 63.200 -0.128 0.000 0.826 222 S HN 0.622 8.932 8.310 -0.000 0.000 0.491 223 L N 3.624 124.786 121.223 -0.102 0.000 2.131 223 L HA -0.096 4.241 4.340 -0.005 0.000 0.210 223 L C 1.699 178.535 176.870 -0.056 0.000 1.092 223 L CA 1.926 56.728 54.840 -0.064 0.000 0.759 223 L CB -1.001 41.020 42.059 -0.064 0.000 0.903 223 L HN 0.530 8.760 8.230 -0.000 0.000 0.435 224 N N -1.804 116.837 118.700 -0.099 0.000 2.331 224 N HA -0.180 4.557 4.740 -0.005 0.000 0.180 224 N C 1.631 177.066 175.510 -0.125 0.000 1.019 224 N CA 0.916 53.914 53.050 -0.086 0.000 0.881 224 N CB -0.334 38.096 38.487 -0.095 0.000 0.972 224 N HN 0.213 8.593 8.380 -0.000 0.000 0.435 225 L N 1.438 122.487 121.223 -0.290 0.000 1.994 225 L HA -0.102 4.234 4.340 -0.005 0.000 0.208 225 L C 1.784 178.503 176.870 -0.251 0.000 1.071 225 L CA 1.615 56.142 54.840 -0.521 0.000 0.745 225 L CB -1.061 40.398 42.059 -1.000 0.000 0.892 225 L HN 0.162 8.392 8.230 -0.000 0.000 0.431 226 D N -0.445 119.909 120.400 -0.078 0.000 2.127 226 D HA -0.211 4.426 4.640 -0.005 0.000 0.190 226 D C 2.248 178.618 176.300 0.116 0.000 1.000 226 D CA 1.292 55.380 54.000 0.148 0.000 0.839 226 D CB -0.141 40.762 40.800 0.171 0.000 0.955 226 D HN 0.095 8.465 8.370 -0.000 0.000 0.446 227 I N 0.831 121.465 120.570 0.108 0.000 2.286 227 I HA -0.172 3.995 4.170 -0.005 0.000 0.248 227 I C 2.411 178.691 176.117 0.270 0.000 1.115 227 I CA 0.779 62.185 61.300 0.176 0.000 1.392 227 I CB -1.489 36.602 38.000 0.152 0.000 1.065 227 I HN -0.088 8.122 8.210 -0.000 0.000 0.418 228 A N 0.422 123.374 122.820 0.219 0.000 1.978 228 A HA -0.186 4.130 4.320 -0.005 0.000 0.220 228 A C 2.149 179.890 177.584 0.262 0.000 1.170 228 A CA 1.275 53.487 52.037 0.293 0.000 0.636 228 A CB -0.410 18.821 19.000 0.385 0.000 0.810 228 A HN 0.349 8.499 8.150 -0.000 0.000 0.448 229 E N -0.161 120.152 120.200 0.189 0.000 2.070 229 E HA -0.216 4.131 4.350 -0.005 0.000 0.197 229 E C 1.864 178.469 176.600 0.009 0.000 1.004 229 E CA 1.134 57.600 56.400 0.109 0.000 0.805 229 E CB -0.541 29.216 29.700 0.095 0.000 0.744 229 E HN 0.506 8.866 8.360 -0.000 0.000 0.451 230 L N -0.551 120.655 121.223 -0.027 0.000 2.129 230 L HA -0.171 4.165 4.340 -0.005 0.000 0.212 230 L C 1.948 178.532 176.870 -0.477 0.000 1.087 230 L CA 1.505 56.163 54.840 -0.303 0.000 0.757 230 L CB -0.393 41.386 42.059 -0.467 0.000 0.896 230 L HN 0.081 8.311 8.230 -0.000 0.000 0.434 231 F N -2.044 117.898 119.950 -0.014 0.000 2.678 231 F HA 0.125 4.648 4.527 -0.006 0.000 0.305 231 F C 1.983 177.767 175.800 -0.027 0.000 1.090 231 F CA -0.181 57.809 58.000 -0.016 0.000 1.272 231 F CB -0.216 38.786 39.000 0.004 0.000 1.060 231 F HN -0.148 8.152 8.300 -0.000 0.000 0.576 232 K N 0.800 121.250 120.400 0.083 0.000 2.074 232 K HA -0.176 4.140 4.320 -0.005 0.000 0.209 232 K C -0.790 175.788 176.600 -0.038 0.000 1.048 232 K CA 1.893 58.205 56.287 0.042 0.000 0.926 232 K CB -1.228 31.290 32.500 0.029 0.000 0.713 232 K HN 0.174 8.424 8.250 -0.000 0.000 0.444 233 P HA -0.185 4.235 4.420 -0.000 0.000 0.211 233 P C 0.991 178.186 177.300 -0.175 0.000 1.179 233 P CA 1.835 64.696 63.100 -0.397 0.000 0.910 233 P CB 0.005 31.445 31.700 -0.433 0.000 0.785 234 A N -1.251 121.582 122.820 0.022 0.000 2.015 234 A HA -0.081 4.236 4.320 -0.005 0.000 0.219 234 A C 2.144 179.804 177.584 0.127 0.000 1.163 234 A CA 1.632 53.760 52.037 0.151 0.000 0.646 234 A CB -1.333 17.759 19.000 0.152 0.000 0.806 234 A HN 0.058 8.208 8.150 -0.000 0.000 0.448 235 V N -1.787 118.189 119.914 0.103 0.000 2.627 235 V HA -0.036 4.080 4.120 -0.005 0.000 0.239 235 V C 2.314 178.467 176.094 0.097 0.000 1.077 235 V CA 1.281 63.610 62.300 0.050 0.000 1.103 235 V CB -0.215 31.622 31.823 0.024 0.000 0.802 235 V HN 0.242 8.432 8.190 -0.000 0.000 0.482 236 V N 0.415 120.414 119.914 0.143 0.000 2.649 236 V HA -0.081 4.036 4.120 -0.005 0.000 0.248 236 V C 2.002 178.245 176.094 0.248 0.000 1.054 236 V CA 1.734 64.168 62.300 0.222 0.000 1.073 236 V CB -0.330 31.608 31.823 0.192 0.000 0.699 236 V HN 0.539 8.729 8.190 -0.000 0.000 0.463 237 D N -0.135 120.361 120.400 0.160 0.000 2.197 237 D HA -0.060 4.577 4.640 -0.005 0.000 0.212 237 D C 2.136 178.690 176.300 0.422 0.000 0.963 237 D CA 0.799 54.937 54.000 0.230 0.000 0.864 237 D CB -0.239 40.465 40.800 -0.159 0.000 1.009 237 D HN 0.265 8.635 8.370 -0.000 0.000 0.479 238 R N 0.673 121.436 120.500 0.438 0.000 2.113 238 R HA -0.190 4.147 4.340 -0.005 0.000 0.244 238 R C 2.213 178.638 176.300 0.208 0.000 1.142 238 R CA 1.281 57.628 56.100 0.411 0.000 0.953 238 R CB -0.571 29.918 30.300 0.316 0.000 0.860 238 R HN 0.102 8.372 8.270 -0.000 0.000 0.438 239 L N 0.151 121.468 121.223 0.156 0.000 2.046 239 L HA -0.097 4.239 4.340 -0.005 0.000 0.208 239 L C 2.136 179.064 176.870 0.098 0.000 1.077 239 L CA 1.696 56.563 54.840 0.044 0.000 0.747 239 L CB -0.704 41.331 42.059 -0.040 0.000 0.896 239 L HN 0.317 8.547 8.230 -0.000 0.000 0.432 240 F N -0.408 119.612 119.950 0.116 0.000 2.095 240 F HA -0.251 4.273 4.527 -0.006 0.000 0.298 240 F C 1.964 177.844 175.800 0.134 0.000 1.104 240 F CA 1.898 59.999 58.000 0.168 0.000 1.232 240 F CB -0.544 38.577 39.000 0.200 0.000 0.987 240 F HN 0.027 8.327 8.300 -0.000 0.000 0.475 241 L N 0.246 121.322 121.223 -0.246 0.000 1.973 241 L HA -0.237 4.099 4.340 -0.005 0.000 0.208 241 L C 2.436 179.178 176.870 -0.214 0.000 1.073 241 L CA 1.841 56.464 54.840 -0.362 0.000 0.746 241 L CB -1.245 40.776 42.059 -0.064 0.000 0.891 241 L HN 0.293 8.523 8.230 -0.000 0.000 0.433 242 N N 0.825 119.472 118.700 -0.088 0.000 2.049 242 N HA -0.265 4.472 4.740 -0.005 0.000 0.198 242 N C 1.817 177.268 175.510 -0.098 0.000 1.030 242 N CA 1.965 54.969 53.050 -0.076 0.000 0.870 242 N CB -0.458 38.001 38.487 -0.048 0.000 1.045 242 N HN 0.217 8.597 8.380 -0.000 0.000 0.434 243 L N -0.146 121.014 121.223 -0.105 0.000 1.970 243 L HA -0.198 4.139 4.340 -0.005 0.000 0.212 243 L C 2.577 179.399 176.870 -0.080 0.000 1.071 243 L CA 1.971 56.757 54.840 -0.090 0.000 0.751 243 L CB -0.894 41.125 42.059 -0.065 0.000 0.889 243 L HN 0.335 8.565 8.230 -0.000 0.000 0.432 244 V N -2.315 117.527 119.914 -0.120 0.000 2.343 244 V HA -0.199 3.918 4.120 -0.005 0.000 0.247 244 V C 2.113 178.151 176.094 -0.093 0.000 1.051 244 V CA 2.052 64.295 62.300 -0.094 0.000 1.036 244 V CB -0.888 30.844 31.823 -0.152 0.000 0.654 244 V HN 0.417 8.607 8.190 -0.000 0.000 0.451 245 N N 1.081 119.707 118.700 -0.124 0.000 2.289 245 N HA -0.100 4.637 4.740 -0.005 0.000 0.184 245 N C 1.737 177.212 175.510 -0.059 0.000 1.016 245 N CA 2.017 55.014 53.050 -0.088 0.000 0.872 245 N CB -0.677 37.754 38.487 -0.093 0.000 0.973 245 N HN 0.700 9.080 8.380 -0.000 0.000 0.433 246 T N -0.389 114.131 114.554 -0.056 0.000 3.100 246 T HA 0.156 4.503 4.350 -0.005 0.000 0.253 246 T C 1.481 176.165 174.700 -0.026 0.000 1.118 246 T CA 0.859 62.935 62.100 -0.040 0.000 1.058 246 T CB 0.017 68.860 68.868 -0.042 0.000 0.953 246 T HN 0.461 8.701 8.240 -0.000 0.000 0.515 247 R N 0.638 121.124 120.500 -0.023 0.000 3.954 247 R HA -0.318 4.019 4.340 -0.005 0.000 0.422 247 R C 1.291 177.605 176.300 0.023 0.000 1.091 247 R CA 1.928 58.030 56.100 0.004 0.000 1.168 247 R CB -3.101 27.202 30.300 0.005 0.000 1.752 247 R HN 0.610 8.880 8.270 -0.000 0.000 0.547 248 Q N -0.753 119.041 119.800 -0.011 0.000 2.096 248 Q HA 0.094 4.430 4.340 -0.005 0.000 0.204 248 Q C 0.840 176.796 176.000 -0.073 0.000 0.982 248 Q CA 1.398 57.184 55.803 -0.029 0.000 0.850 248 Q CB 0.126 28.827 28.738 -0.062 0.000 0.901 248 Q HN 0.707 8.977 8.270 -0.000 0.000 0.422 249 I N 1.361 121.883 120.570 -0.079 0.000 2.325 249 I HA 0.146 4.313 4.170 -0.005 0.000 0.291 249 I C 0.384 176.593 176.117 0.153 0.000 1.019 249 I CA 0.218 61.451 61.300 -0.111 0.000 1.302 249 I CB 0.317 38.306 38.000 -0.018 0.000 1.401 249 I HN 0.159 8.369 8.210 -0.000 0.000 0.485 250 N N 4.571 123.535 118.700 0.440 0.000 2.815 250 N HA 0.328 5.065 4.740 -0.005 0.000 0.315 250 N C 0.761 176.547 175.510 0.461 0.000 1.320 250 N CA -0.481 52.783 53.050 0.355 0.000 0.846 250 N CB 0.616 39.241 38.487 0.229 0.000 1.344 250 N HN 0.610 8.990 8.380 -0.000 0.000 0.593 251 E N -0.510 119.855 120.200 0.274 0.000 2.274 251 E HA -0.064 4.282 4.350 -0.005 0.000 0.194 251 E C 2.412 179.217 176.600 0.342 0.000 0.996 251 E CA 1.181 57.803 56.400 0.371 0.000 0.840 251 E CB -0.206 29.591 29.700 0.162 0.000 0.772 251 E HN 0.700 9.060 8.360 -0.000 0.000 0.491 252 K N 1.226 121.682 120.400 0.095 0.000 2.211 252 K HA -0.181 4.135 4.320 -0.005 0.000 0.204 252 K C 1.340 177.841 176.600 -0.164 0.000 1.047 252 K CA 1.761 57.983 56.287 -0.108 0.000 0.935 252 K CB -1.095 31.211 32.500 -0.324 0.000 0.728 252 K HN 0.347 8.597 8.250 -0.000 0.000 0.452 253 H N -1.692 117.386 119.070 0.013 0.000 2.536 253 H HA 0.384 4.936 4.556 -0.005 0.000 0.276 253 H C -0.628 174.387 175.328 -0.521 0.000 1.019 253 H CA -0.206 55.679 56.048 -0.272 0.000 1.159 253 H CB -0.285 29.232 29.762 -0.409 0.000 1.373 253 H HN 0.438 8.718 8.280 -0.000 0.000 0.584 254 F N -0.115 119.906 119.950 0.118 0.000 2.577 254 F HA 0.371 4.895 4.527 -0.005 0.000 0.318 254 F C -0.285 175.519 175.800 0.007 0.000 1.065 254 F CA -1.280 56.752 58.000 0.055 0.000 0.929 254 F CB 1.904 40.942 39.000 0.064 0.000 1.237 254 F HN -0.085 8.215 8.300 -0.000 0.000 0.468 255 D N -0.244 120.251 120.400 0.159 0.000 2.423 255 D HA 0.506 5.143 4.640 -0.005 0.000 0.235 255 D C 0.842 177.172 176.300 0.050 0.000 1.011 255 D CA -0.277 53.769 54.000 0.076 0.000 0.963 255 D CB 1.374 42.197 40.800 0.039 0.000 1.349 255 D HN 0.618 8.988 8.370 -0.000 0.000 0.508 256 E N 0.606 120.821 120.200 0.026 0.000 2.021 256 E HA 0.226 4.573 4.350 -0.005 0.000 0.189 256 E C 1.739 178.342 176.600 0.005 0.000 0.980 256 E CA 1.254 57.656 56.400 0.003 0.000 0.803 256 E CB -1.236 28.465 29.700 0.003 0.000 0.766 256 E HN 0.624 8.984 8.360 -0.000 0.000 0.449 261 L N -0.187 120.992 121.223 -0.072 0.000 2.286 261 L HA 1.022 5.359 4.340 -0.005 0.000 0.265 261 L C 0.430 177.312 176.870 0.019 0.000 1.012 261 L CA -0.499 54.303 54.840 -0.063 0.000 0.818 261 L CB 1.128 43.067 42.059 -0.200 0.000 1.337 261 L HN 1.417 9.647 8.230 -0.000 0.000 0.438 262 M N 0.421 120.063 119.600 0.069 0.000 2.826 262 M HA 0.963 5.440 4.480 -0.005 0.000 0.284 262 M C -1.667 174.696 176.300 0.105 0.000 1.191 262 M CA -0.703 54.644 55.300 0.079 0.000 0.745 262 M CB 1.819 34.454 32.600 0.058 0.000 1.750 262 M HN 0.634 8.924 8.290 -0.000 0.000 0.434 263 L N 2.255 123.441 121.223 -0.061 0.000 2.376 263 L HA 0.516 4.853 4.340 -0.005 0.000 0.275 263 L C -0.515 176.198 176.870 -0.262 0.000 0.987 263 L CA -0.186 54.495 54.840 -0.264 0.000 0.828 263 L CB 1.499 43.259 42.059 -0.497 0.000 1.249 263 L HN 0.813 9.043 8.230 -0.000 0.000 0.409 264 N N 2.372 120.927 118.700 -0.240 0.000 2.174 264 N HA -0.144 4.593 4.740 -0.005 0.000 0.229 264 N C 0.890 176.291 175.510 -0.183 0.000 1.259 264 N CA 1.101 54.053 53.050 -0.163 0.000 0.859 264 N CB 0.641 39.042 38.487 -0.143 0.000 1.086 264 N HN 0.834 9.214 8.380 -0.000 0.000 0.446 265 D N 0.398 120.720 120.400 -0.129 0.000 2.117 265 D HA -0.138 4.499 4.640 -0.005 0.000 0.197 265 D C 1.784 177.918 176.300 -0.277 0.000 0.987 265 D CA 2.129 56.035 54.000 -0.158 0.000 0.829 265 D CB -0.729 40.023 40.800 -0.080 0.000 0.961 265 D HN 0.740 9.110 8.370 -0.000 0.000 0.460 266 E N -0.087 119.997 120.200 -0.193 0.000 2.158 266 E HA 0.253 4.600 4.350 -0.005 0.000 0.191 266 E C 2.531 179.045 176.600 -0.144 0.000 0.982 266 E CA 1.117 57.415 56.400 -0.170 0.000 0.823 266 E CB -1.129 28.521 29.700 -0.083 0.000 0.766 266 E HN 0.599 8.959 8.360 -0.000 0.000 0.468 267 G N 0.742 109.458 108.800 -0.140 0.000 2.394 267 G HA2 -0.215 3.741 3.960 -0.005 0.000 0.215 267 G HA3 -0.215 3.741 3.960 -0.005 0.000 0.215 267 G C 1.865 176.576 174.900 -0.315 0.000 1.165 267 G CA 1.007 45.975 45.100 -0.220 0.000 0.784 267 G HN 0.484 8.774 8.290 -0.000 0.000 0.535 268 K N 0.757 120.914 120.400 -0.405 0.000 1.991 268 K HA -0.093 4.224 4.320 -0.005 0.000 0.212 268 K C 2.960 179.361 176.600 -0.331 0.000 1.049 268 K CA 1.596 57.627 56.287 -0.427 0.000 0.932 268 K CB -0.287 31.969 32.500 -0.407 0.000 0.717 268 K HN 0.241 8.491 8.250 -0.000 0.000 0.441 269 S N 1.488 116.785 115.700 -0.671 0.000 2.372 269 S HA -0.198 4.268 4.470 -0.005 0.000 0.227 269 S C 1.882 176.320 174.600 -0.269 0.000 1.044 269 S CA 1.506 59.291 58.200 -0.692 0.000 1.050 269 S CB -0.337 62.437 63.200 -0.710 0.000 0.901 269 S HN 0.220 8.530 8.310 -0.000 0.000 0.447 270 L N 0.537 121.634 121.223 -0.210 0.000 2.109 270 L HA 0.150 4.486 4.340 -0.005 0.000 0.207 270 L C 1.921 178.745 176.870 -0.075 0.000 1.086 270 L CA 1.411 56.165 54.840 -0.143 0.000 0.760 270 L CB -0.664 41.281 42.059 -0.189 0.000 0.910 270 L HN 0.265 8.495 8.230 -0.000 0.000 0.437 271 F N -0.805 119.054 119.950 -0.151 0.000 2.069 271 F HA -0.244 4.280 4.527 -0.005 0.000 0.298 271 F C 2.247 178.065 175.800 0.030 0.000 1.113 271 F CA 2.151 60.139 58.000 -0.020 0.000 1.214 271 F CB -0.309 38.729 39.000 0.063 0.000 0.978 271 F HN -0.097 8.203 8.300 -0.000 0.000 0.474 272 V N 0.705 120.775 119.914 0.260 0.000 2.255 272 V HA -0.377 3.740 4.120 -0.005 0.000 0.247 272 V C 2.754 178.794 176.094 -0.089 0.000 1.051 272 V CA 2.821 65.137 62.300 0.025 0.000 1.018 272 V CB -1.560 30.150 31.823 -0.187 0.000 0.641 272 V HN 0.483 8.673 8.190 -0.000 0.000 0.445 273 K N 0.210 120.554 120.400 -0.094 0.000 2.074 273 K HA -0.289 4.027 4.320 -0.005 0.000 0.209 273 K C 1.810 178.380 176.600 -0.051 0.000 1.048 273 K CA 2.181 58.423 56.287 -0.075 0.000 0.926 273 K CB -1.125 31.337 32.500 -0.064 0.000 0.713 273 K HN 0.651 8.901 8.250 -0.000 0.000 0.444 274 N N -1.279 117.375 118.700 -0.077 0.000 2.270 274 N HA -0.082 4.655 4.740 -0.005 0.000 0.181 274 N C 1.752 177.217 175.510 -0.076 0.000 1.016 274 N CA 1.349 54.337 53.050 -0.103 0.000 0.870 274 N CB -0.215 38.159 38.487 -0.188 0.000 0.979 274 N HN 0.650 9.030 8.380 -0.000 0.000 0.431 275 Y N 2.364 122.568 120.300 -0.160 0.000 2.145 275 Y HA -0.145 4.402 4.550 -0.005 0.000 0.286 275 Y C 2.252 178.146 175.900 -0.010 0.000 1.145 275 Y CA 1.514 59.573 58.100 -0.068 0.000 1.148 275 Y CB 0.023 38.506 38.460 0.038 0.000 0.981 275 Y HN -0.082 8.198 8.280 -0.000 0.000 0.507 276 E N 0.091 120.389 120.200 0.165 0.000 2.204 276 E HA -0.232 4.114 4.350 -0.005 0.000 0.195 276 E C 2.016 178.626 176.600 0.017 0.000 0.990 276 E CA 1.167 57.635 56.400 0.113 0.000 0.821 276 E CB -0.262 29.524 29.700 0.143 0.000 0.750 276 E HN 0.532 8.892 8.360 -0.000 0.000 0.477 277 Q N 0.966 120.758 119.800 -0.013 0.000 2.020 277 Q HA -0.069 4.268 4.340 -0.005 0.000 0.202 277 Q C 1.988 177.957 176.000 -0.052 0.000 0.982 277 Q CA 2.219 58.006 55.803 -0.027 0.000 0.838 277 Q CB -0.566 28.150 28.738 -0.037 0.000 0.899 277 Q HN 0.167 8.437 8.270 -0.000 0.000 0.423 278 A N 0.371 123.133 122.820 -0.096 0.000 1.902 278 A HA -0.114 4.203 4.320 -0.005 0.000 0.217 278 A C 2.241 179.749 177.584 -0.126 0.000 1.181 278 A CA 1.425 53.395 52.037 -0.112 0.000 0.623 278 A CB -0.873 18.040 19.000 -0.145 0.000 0.818 278 A HN 0.469 8.619 8.150 -0.000 0.000 0.443 279 L N -1.083 120.023 121.223 -0.195 0.000 2.042 279 L HA -0.268 4.069 4.340 -0.005 0.000 0.210 279 L C 3.333 180.168 176.870 -0.059 0.000 1.076 279 L CA 1.816 56.562 54.840 -0.156 0.000 0.749 279 L CB -0.563 41.393 42.059 -0.172 0.000 0.893 279 L HN 0.599 8.829 8.230 -0.000 0.000 0.432 280 R N 0.222 120.706 120.500 -0.026 0.000 2.140 280 R HA 0.024 4.360 4.340 -0.005 0.000 0.213 280 R C 1.078 177.384 176.300 0.010 0.000 1.059 280 R CA 0.308 56.413 56.100 0.008 0.000 1.000 280 R CB -0.800 29.518 30.300 0.029 0.000 0.910 280 R HN 0.332 8.602 8.270 -0.000 0.000 0.455 281 E N 1.219 121.417 120.200 -0.004 0.000 2.604 281 E HA 0.012 4.359 4.350 -0.005 0.000 0.267 281 E C -0.707 175.893 176.600 -0.000 0.000 0.970 281 E CA 0.867 57.266 56.400 -0.001 0.000 0.956 281 E CB 0.499 30.189 29.700 -0.017 0.000 0.939 281 E HN 0.536 8.896 8.360 -0.000 0.000 0.465 282 T N 2.276 116.836 114.554 0.009 0.000 2.855 282 T HA 0.626 4.973 4.350 -0.005 0.000 0.281 282 T C -0.583 174.043 174.700 -0.125 0.000 1.007 282 T CA -0.814 61.286 62.100 0.000 0.000 1.009 282 T CB 1.588 70.521 68.868 0.108 0.000 0.983 282 T HN 0.243 8.483 8.240 -0.000 0.000 0.455 292 V N -0.753 119.205 119.914 0.073 0.000 3.130 292 V HA 0.944 5.061 4.120 -0.005 0.000 0.310 292 V C -0.218 175.897 176.094 0.034 0.000 1.158 292 V CA -0.641 61.702 62.300 0.073 0.000 1.029 292 V CB 1.833 33.698 31.823 0.071 0.000 1.057 292 V HN 0.458 8.648 8.190 -0.000 0.000 0.436 293 S N 2.739 118.462 115.700 0.039 0.000 2.693 293 S HA 0.472 4.939 4.470 -0.005 0.000 0.276 293 S C 0.960 175.567 174.600 0.012 0.000 1.192 293 S CA -0.790 57.420 58.200 0.017 0.000 0.994 293 S CB 1.298 64.508 63.200 0.018 0.000 1.012 293 S HN 0.763 9.073 8.310 -0.000 0.000 0.550 294 M N 0.691 120.286 119.600 -0.008 0.000 2.159 294 M HA -0.040 4.437 4.480 -0.005 0.000 0.263 294 M C 2.279 178.519 176.300 -0.100 0.000 1.063 294 M CA 1.508 56.795 55.300 -0.022 0.000 1.110 294 M CB -1.432 31.142 32.600 -0.043 0.000 1.374 294 M HN 0.897 9.187 8.290 -0.000 0.000 0.411 295 R N -0.512 119.937 120.500 -0.085 0.000 2.105 295 R HA -0.118 4.218 4.340 -0.005 0.000 0.239 295 R C 2.168 178.427 176.300 -0.070 0.000 1.135 295 R CA 1.856 57.902 56.100 -0.090 0.000 0.967 295 R CB 0.013 30.294 30.300 -0.032 0.000 0.861 295 R HN 0.252 8.522 8.270 -0.000 0.000 0.442 296 S N 0.648 116.337 115.700 -0.019 0.000 2.406 296 S HA 0.005 4.472 4.470 -0.005 0.000 0.228 296 S C 1.819 176.435 174.600 0.026 0.000 1.020 296 S CA 0.539 58.749 58.200 0.017 0.000 0.965 296 S CB -0.019 63.210 63.200 0.050 0.000 0.798 296 S HN 0.283 8.593 8.310 -0.000 0.000 0.488 297 L N 1.137 122.379 121.223 0.031 0.000 2.046 297 L HA -0.115 4.221 4.340 -0.005 0.000 0.208 297 L C 2.072 178.994 176.870 0.086 0.000 1.077 297 L CA 1.310 56.218 54.840 0.114 0.000 0.747 297 L CB -0.568 41.627 42.059 0.226 0.000 0.896 297 L HN 0.349 8.579 8.230 -0.000 0.000 0.432 298 I N -0.406 120.022 120.570 -0.237 0.000 2.361 298 I HA -0.319 3.848 4.170 -0.005 0.000 0.251 298 I C 2.527 178.556 176.117 -0.148 0.000 1.133 298 I CA 1.327 62.344 61.300 -0.472 0.000 1.413 298 I CB -0.302 37.264 38.000 -0.725 0.000 1.073 298 I HN 0.228 8.438 8.210 -0.000 0.000 0.424 299 K N 0.476 120.811 120.400 -0.109 0.000 2.228 299 K HA -0.069 4.248 4.320 -0.005 0.000 0.202 299 K C 2.205 178.744 176.600 -0.102 0.000 1.051 299 K CA 0.838 57.044 56.287 -0.136 0.000 0.960 299 K CB 0.077 32.532 32.500 -0.074 0.000 0.743 299 K HN 0.136 8.386 8.250 -0.000 0.000 0.458 300 M N 0.635 120.274 119.600 0.065 0.000 2.117 300 M HA -0.181 4.296 4.480 -0.005 0.000 0.262 300 M C 1.801 178.187 176.300 0.144 0.000 1.065 300 M CA 1.585 56.980 55.300 0.159 0.000 1.114 300 M CB 0.090 32.781 32.600 0.151 0.000 1.361 300 M HN -0.024 8.266 8.290 -0.000 0.000 0.408 301 E N 0.280 120.565 120.200 0.141 0.000 2.077 301 E HA -0.145 4.202 4.350 -0.005 0.000 0.193 301 E C 1.773 178.444 176.600 0.118 0.000 0.989 301 E CA 1.402 57.903 56.400 0.168 0.000 0.800 301 E CB -0.412 29.456 29.700 0.281 0.000 0.746 301 E HN 0.530 8.890 8.360 -0.000 0.000 0.452 302 L N -0.621 120.612 121.223 0.017 0.000 2.046 302 L HA -0.194 4.143 4.340 -0.005 0.000 0.208 302 L C 2.304 179.166 176.870 -0.015 0.000 1.077 302 L CA 1.616 56.432 54.840 -0.040 0.000 0.747 302 L CB -0.508 41.456 42.059 -0.158 0.000 0.896 302 L HN 0.321 8.551 8.230 -0.000 0.000 0.432 303 H N -0.416 118.705 119.070 0.085 0.000 2.387 303 H HA -0.144 4.409 4.556 -0.004 0.000 0.299 303 H C 2.274 177.648 175.328 0.076 0.000 1.090 303 H CA 1.092 57.182 56.048 0.071 0.000 1.332 303 H CB 0.127 29.924 29.762 0.059 0.000 1.386 303 H HN 0.190 8.470 8.280 -0.000 0.000 0.516 304 K N 0.254 120.781 120.400 0.212 0.000 2.103 304 K HA -0.162 4.155 4.320 -0.005 0.000 0.207 304 K C 2.004 178.715 176.600 0.185 0.000 1.048 304 K CA 1.029 57.432 56.287 0.192 0.000 0.930 304 K CB -0.125 32.519 32.500 0.241 0.000 0.716 304 K HN 0.103 8.353 8.250 -0.000 0.000 0.444 305 L N 1.860 123.206 121.223 0.205 0.000 2.027 305 L HA -0.164 4.173 4.340 -0.005 0.000 0.206 305 L C 1.764 178.698 176.870 0.107 0.000 1.074 305 L CA 1.808 56.767 54.840 0.199 0.000 0.745 305 L CB -0.337 41.839 42.059 0.195 0.000 0.898 305 L HN 0.134 8.364 8.230 -0.000 0.000 0.433 306 E N -0.485 119.778 120.200 0.105 0.000 2.085 306 E HA -0.263 4.084 4.350 -0.005 0.000 0.194 306 E C 2.135 178.744 176.600 0.016 0.000 0.994 306 E CA 1.533 57.974 56.400 0.068 0.000 0.801 306 E CB -0.124 29.645 29.700 0.116 0.000 0.743 306 E HN 0.502 8.862 8.360 -0.000 0.000 0.453 307 K N -0.212 120.204 120.400 0.027 0.000 2.097 307 K HA -0.188 4.129 4.320 -0.005 0.000 0.205 307 K C 2.164 178.700 176.600 -0.107 0.000 1.050 307 K CA 1.320 57.592 56.287 -0.025 0.000 0.938 307 K CB -0.215 32.283 32.500 -0.002 0.000 0.718 307 K HN 0.192 8.442 8.250 -0.000 0.000 0.442 308 H N 1.138 120.049 119.070 -0.266 0.000 2.353 308 H HA -0.041 4.512 4.556 -0.005 0.000 0.300 308 H C 1.813 176.907 175.328 -0.389 0.000 1.090 308 H CA 1.505 57.267 56.048 -0.477 0.000 1.327 308 H CB -0.134 29.096 29.762 -0.887 0.000 1.383 308 H HN 0.024 8.304 8.280 -0.000 0.000 0.508 309 L N 0.421 121.398 121.223 -0.411 0.000 2.083 309 L HA -0.115 4.222 4.340 -0.005 0.000 0.209 309 L C 2.326 178.996 176.870 -0.334 0.000 1.083 309 L CA 1.498 55.995 54.840 -0.571 0.000 0.752 309 L CB -0.369 41.512 42.059 -0.297 0.000 0.899 309 L HN 0.511 8.741 8.230 -0.000 0.000 0.433 310 I N -3.210 117.280 120.570 -0.132 0.000 3.684 310 I HA 0.298 4.464 4.170 -0.005 0.000 0.304 310 I C 1.179 177.301 176.117 0.008 0.000 1.278 310 I CA 0.690 62.029 61.300 0.066 0.000 1.272 310 I CB -0.156 37.949 38.000 0.175 0.000 1.029 310 I HN 0.255 8.465 8.210 -0.000 0.000 0.458 311 G N 2.399 111.117 108.800 -0.136 0.000 2.148 311 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.203 311 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.203 311 G C 0.229 175.061 174.900 -0.113 0.000 0.993 311 G CA 0.214 45.236 45.100 -0.131 0.000 0.661 311 G HN 0.767 9.057 8.290 -0.000 0.000 0.518 312 E N 0.090 120.223 120.200 -0.113 0.000 3.012 312 E HA 0.520 4.867 4.350 -0.005 0.000 0.228 312 E C 0.099 176.647 176.600 -0.087 0.000 1.184 312 E CA -0.617 55.736 56.400 -0.078 0.000 1.407 312 E CB 0.193 29.860 29.700 -0.054 0.000 1.438 312 E HN 0.143 8.503 8.360 -0.000 0.000 0.435 313 Q N 0.041 119.771 119.800 -0.116 0.000 2.017 313 Q HA -0.088 4.248 4.340 -0.005 0.000 0.275 313 Q C -0.328 175.553 176.000 -0.200 0.000 0.831 313 Q CA 0.821 56.568 55.803 -0.093 0.000 0.488 313 Q CB -1.462 27.258 28.738 -0.031 0.000 0.647 313 Q HN 0.551 8.821 8.270 -0.000 0.000 0.322 314 V N 0.891 120.555 119.914 -0.416 0.000 0.518 314 V HA -0.300 3.817 4.120 -0.005 0.000 0.145 314 V C 0.935 177.052 176.094 0.037 0.000 2.868 314 V CA 1.175 63.412 62.300 -0.106 0.000 3.857 314 V CB -1.311 30.482 31.823 -0.049 0.000 1.132 314 V HN 0.913 9.103 8.190 -0.000 0.000 1.187 315 F N -1.482 118.498 119.950 0.050 0.000 2.519 315 F HA -0.032 4.492 4.527 -0.004 0.000 0.716 315 F C 1.060 176.851 175.800 -0.014 0.000 0.487 315 F CA 2.024 60.009 58.000 -0.026 0.000 0.842 315 F CB -1.738 37.191 39.000 -0.119 0.000 1.683 315 F HN 1.505 9.805 8.300 -0.000 0.000 0.271 316 G N -0.621 108.303 108.800 0.207 0.000 2.174 316 G HA2 0.572 4.529 3.960 -0.005 0.000 0.312 316 G HA3 0.572 4.529 3.960 -0.005 0.000 0.312 316 G C -0.623 174.328 174.900 0.084 0.000 1.663 316 G CA 0.261 45.426 45.100 0.108 0.000 0.920 316 G HN 1.164 9.454 8.290 -0.000 0.000 0.664 317 S N 0.403 116.140 115.700 0.061 0.000 3.159 317 S HA -0.104 4.363 4.470 -0.005 0.000 0.833 317 S C -0.076 174.548 174.600 0.041 0.000 0.614 317 S CA -0.306 57.920 58.200 0.043 0.000 1.529 317 S CB -0.245 62.977 63.200 0.036 0.000 1.037 317 S HN 0.802 9.112 8.310 -0.000 0.000 0.862 318 E N 2.685 122.902 120.200 0.029 0.000 2.292 318 E HA 0.337 4.684 4.350 -0.005 0.000 0.265 318 E C 0.975 177.585 176.600 0.017 0.000 1.093 318 E CA 0.605 57.018 56.400 0.021 0.000 0.922 318 E CB 0.231 29.938 29.700 0.011 0.000 1.001 318 E HN 0.823 9.183 8.360 -0.000 0.000 0.444 319 E N 0.000 120.210 120.200 0.017 0.000 2.725 319 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 319 E CA 0.000 56.406 56.400 0.010 0.000 0.976 319 E CB 0.000 29.706 29.700 0.010 0.000 0.812 319 E HN 0.000 8.360 8.360 -0.000 0.000 0.440