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 2onk_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRLLFSALLA LLSSIILLFV LLPVAATVTL QLFNFDEFLK AASDPAVWKV DATA SEQUENCE VLTTYYAALI STLIAVIFGT PLAYILARKS FPGKSVVEGI VDLPVVIPHT DATA SEQUENCE VAGIALLVVF GSSGLIGSFS PLKFVDALPG IVVAMLFVSV PIYINQAKEG DATA SEQUENCE FASVDVRLEH VARTLGSSPL RVFFTVSLPL SVRHIVAGAI MSWARGISEF DATA SEQUENCE GAVVVIAYYP MIAPTLIYER YLSEGLSAAM PVAAILILLS LAVFVALRII DATA SEQUENCE VG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.331 176.300 0.052 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 R N 0.533 121.067 120.500 0.057 0.000 2.193 2 R HA 0.255 4.609 4.340 0.022 0.000 0.213 2 R C 1.684 178.051 176.300 0.112 0.000 1.055 2 R CA 1.233 57.390 56.100 0.094 0.000 0.995 2 R CB -0.189 30.157 30.300 0.077 0.000 0.893 2 R HN 0.384 8.654 8.270 0.000 0.000 0.459 3 L N 0.629 121.892 121.223 0.068 0.000 2.265 3 L HA -0.150 4.203 4.340 0.022 0.000 0.215 3 L C 2.034 178.933 176.870 0.048 0.000 1.117 3 L CA 0.985 55.854 54.840 0.048 0.000 0.782 3 L CB -0.312 41.764 42.059 0.028 0.000 0.914 3 L HN 0.257 8.487 8.230 0.000 0.000 0.441 4 L N -1.448 119.816 121.223 0.069 0.000 2.056 4 L HA -0.230 4.123 4.340 0.022 0.000 0.207 4 L C 2.482 179.411 176.870 0.097 0.000 1.078 4 L CA 1.309 56.190 54.840 0.068 0.000 0.749 4 L CB -0.505 41.597 42.059 0.072 0.000 0.901 4 L HN 0.219 8.449 8.230 0.000 0.000 0.433 5 F N -0.124 119.825 119.950 -0.002 0.000 2.270 5 F HA -0.101 4.440 4.527 0.022 0.000 0.295 5 F C 2.737 178.536 175.800 -0.002 0.000 1.087 5 F CA 1.232 59.231 58.000 -0.002 0.000 1.365 5 F CB -0.151 38.847 39.000 -0.002 0.000 1.056 5 F HN -0.105 8.195 8.300 0.000 0.000 0.506 6 S N -0.283 115.407 115.700 -0.017 0.000 2.447 6 S HA -0.031 4.452 4.470 0.022 0.000 0.233 6 S C 2.041 176.559 174.600 -0.137 0.000 1.006 6 S CA 1.059 59.198 58.200 -0.102 0.000 0.957 6 S CB -0.511 62.700 63.200 0.018 0.000 0.773 6 S HN 0.479 8.789 8.310 0.000 0.000 0.507 7 A N 0.679 123.441 122.820 -0.096 0.000 1.956 7 A HA 0.292 4.626 4.320 0.022 0.000 0.212 7 A C 1.931 179.450 177.584 -0.109 0.000 1.188 7 A CA 0.669 52.659 52.037 -0.079 0.000 0.675 7 A CB -0.708 18.271 19.000 -0.035 0.000 0.845 7 A HN 0.505 8.655 8.150 0.000 0.000 0.455 8 L N 0.300 121.446 121.223 -0.129 0.000 2.013 8 L HA -0.182 4.171 4.340 0.022 0.000 0.212 8 L C 2.231 178.988 176.870 -0.189 0.000 1.073 8 L CA 1.920 56.683 54.840 -0.128 0.000 0.753 8 L CB -0.408 41.589 42.059 -0.103 0.000 0.890 8 L HN 0.407 8.637 8.230 0.000 0.000 0.432 9 L N -0.911 120.111 121.223 -0.335 0.000 2.027 9 L HA -0.163 4.191 4.340 0.022 0.000 0.206 9 L C 2.713 179.477 176.870 -0.176 0.000 1.074 9 L CA 1.180 55.835 54.840 -0.309 0.000 0.745 9 L CB -1.017 40.761 42.059 -0.468 0.000 0.898 9 L HN 0.400 8.630 8.230 0.000 0.000 0.433 10 A N 0.001 122.729 122.820 -0.154 0.000 1.933 10 A HA -0.227 4.106 4.320 0.022 0.000 0.218 10 A C 2.197 179.740 177.584 -0.067 0.000 1.175 10 A CA 1.694 53.676 52.037 -0.092 0.000 0.628 10 A CB -0.623 18.332 19.000 -0.074 0.000 0.814 10 A HN 0.320 8.470 8.150 0.000 0.000 0.444 11 L N -0.156 121.026 121.223 -0.069 0.000 1.973 11 L HA -0.089 4.265 4.340 0.022 0.000 0.208 11 L C 2.362 179.206 176.870 -0.044 0.000 1.073 11 L CA 1.757 56.569 54.840 -0.047 0.000 0.746 11 L CB -0.617 41.416 42.059 -0.043 0.000 0.891 11 L HN 0.405 8.636 8.230 0.000 0.000 0.433 12 L N -0.394 120.794 121.223 -0.057 0.000 2.051 12 L HA -0.287 4.067 4.340 0.022 0.000 0.214 12 L C 2.639 179.484 176.870 -0.042 0.000 1.076 12 L CA 1.886 56.696 54.840 -0.050 0.000 0.758 12 L CB -0.973 41.050 42.059 -0.061 0.000 0.890 12 L HN 0.573 8.803 8.230 0.000 0.000 0.433 13 S N -1.052 114.620 115.700 -0.048 0.000 2.428 13 S HA -0.121 4.362 4.470 0.022 0.000 0.230 13 S C 1.977 176.568 174.600 -0.015 0.000 1.014 13 S CA 0.913 59.094 58.200 -0.032 0.000 0.957 13 S CB -0.461 62.714 63.200 -0.041 0.000 0.784 13 S HN 0.541 8.851 8.310 0.000 0.000 0.499 14 S N 1.412 117.102 115.700 -0.017 0.000 2.515 14 S HA 0.140 4.623 4.470 0.022 0.000 0.231 14 S C 1.616 176.222 174.600 0.011 0.000 0.987 14 S CA 0.155 58.353 58.200 -0.004 0.000 0.936 14 S CB -0.540 62.654 63.200 -0.010 0.000 0.766 14 S HN 0.378 8.688 8.310 0.000 0.000 0.528 15 I N 2.390 122.965 120.570 0.008 0.000 2.185 15 I HA -0.010 4.174 4.170 0.022 0.000 0.235 15 I C 2.200 178.357 176.117 0.066 0.000 1.069 15 I CA 0.831 62.145 61.300 0.024 0.000 1.354 15 I CB -1.452 36.546 38.000 -0.003 0.000 1.093 15 I HN 0.255 8.465 8.210 0.000 0.000 0.411 16 I N 0.677 121.276 120.570 0.049 0.000 2.502 16 I HA -0.244 3.939 4.170 0.022 0.000 0.258 16 I C 2.480 178.685 176.117 0.147 0.000 1.172 16 I CA 1.309 62.675 61.300 0.111 0.000 1.430 16 I CB -1.182 36.848 38.000 0.049 0.000 1.086 16 I HN 0.142 8.352 8.210 0.000 0.000 0.440 17 L N -0.388 120.882 121.223 0.078 0.000 2.109 17 L HA -0.123 4.230 4.340 0.022 0.000 0.207 17 L C 2.483 179.384 176.870 0.052 0.000 1.086 17 L CA 1.169 56.041 54.840 0.053 0.000 0.760 17 L CB -0.325 41.749 42.059 0.025 0.000 0.910 17 L HN 0.272 8.502 8.230 0.000 0.000 0.437 18 L N -1.660 119.601 121.223 0.064 0.000 2.072 18 L HA -0.212 4.141 4.340 0.022 0.000 0.205 18 L C 2.531 179.436 176.870 0.058 0.000 1.079 18 L CA 0.965 55.833 54.840 0.046 0.000 0.752 18 L CB -0.569 41.519 42.059 0.047 0.000 0.906 18 L HN 0.179 8.409 8.230 0.000 0.000 0.436 19 F N 0.861 120.798 119.950 -0.022 0.000 2.065 19 F HA -0.252 4.288 4.527 0.022 0.000 0.298 19 F C 2.189 177.973 175.800 -0.026 0.000 1.112 19 F CA 1.825 59.811 58.000 -0.023 0.000 1.212 19 F CB -0.384 38.603 39.000 -0.022 0.000 0.975 19 F HN -0.246 8.054 8.300 0.000 0.000 0.476 20 V N 0.497 120.355 119.914 -0.093 0.000 3.041 20 V HA -0.194 3.939 4.120 0.022 0.000 0.260 20 V C 2.312 178.306 176.094 -0.166 0.000 1.105 20 V CA 1.215 63.398 62.300 -0.196 0.000 1.125 20 V CB -0.129 31.686 31.823 -0.014 0.000 0.730 20 V HN 0.446 8.636 8.190 0.000 0.000 0.479 21 L N -1.102 120.058 121.223 -0.105 0.000 2.121 21 L HA 0.054 4.407 4.340 0.022 0.000 0.200 21 L C 2.302 179.110 176.870 -0.103 0.000 1.077 21 L CA 1.246 56.037 54.840 -0.082 0.000 0.766 21 L CB -0.232 41.803 42.059 -0.039 0.000 0.931 21 L HN 0.244 8.474 8.230 0.000 0.000 0.452 22 L N 0.586 121.750 121.223 -0.099 0.000 2.012 22 L HA -0.271 4.082 4.340 0.022 0.000 0.236 22 L C -0.225 176.571 176.870 -0.123 0.000 1.099 22 L CA 2.629 57.411 54.840 -0.096 0.000 0.821 22 L CB -1.894 40.116 42.059 -0.081 0.000 0.918 22 L HN 0.225 8.455 8.230 0.000 0.000 0.445 23 P HA -0.196 4.224 4.420 0.000 0.000 0.208 23 P C 1.761 178.979 177.300 -0.136 0.000 1.180 23 P CA 2.402 65.402 63.100 -0.167 0.000 0.935 23 P CB -0.352 31.208 31.700 -0.233 0.000 0.785 24 V N 0.988 120.819 119.914 -0.140 0.000 2.252 24 V HA -0.349 3.785 4.120 0.022 0.000 0.255 24 V C 2.898 178.942 176.094 -0.084 0.000 1.071 24 V CA 2.926 65.164 62.300 -0.104 0.000 1.050 24 V CB -2.156 29.611 31.823 -0.094 0.000 0.654 24 V HN 0.240 8.430 8.190 0.000 0.000 0.448 25 A N 0.148 122.920 122.820 -0.081 0.000 1.834 25 A HA -0.179 4.155 4.320 0.022 0.000 0.216 25 A C 2.499 180.035 177.584 -0.080 0.000 1.203 25 A CA 3.053 55.050 52.037 -0.067 0.000 0.621 25 A CB -1.323 17.642 19.000 -0.058 0.000 0.841 25 A HN 0.739 8.889 8.150 0.000 0.000 0.446 26 A N -0.626 122.139 122.820 -0.091 0.000 1.870 26 A HA -0.298 4.035 4.320 0.022 0.000 0.219 26 A C 2.567 180.075 177.584 -0.126 0.000 1.224 26 A CA 3.946 55.917 52.037 -0.111 0.000 0.650 26 A CB -1.894 17.042 19.000 -0.108 0.000 0.836 26 A HN 1.188 9.338 8.150 0.000 0.000 0.454 27 T N -1.810 112.678 114.554 -0.110 0.000 2.685 27 T HA -0.191 4.172 4.350 0.022 0.000 0.268 27 T C 1.624 176.262 174.700 -0.103 0.000 1.034 27 T CA 2.419 64.458 62.100 -0.102 0.000 1.149 27 T CB -0.930 67.888 68.868 -0.083 0.000 0.860 27 T HN 0.218 8.458 8.240 0.000 0.000 0.449 28 V N 1.372 121.229 119.914 -0.095 0.000 2.548 28 V HA -0.087 4.046 4.120 0.022 0.000 0.249 28 V C 2.977 178.987 176.094 -0.139 0.000 1.055 28 V CA 1.950 64.183 62.300 -0.112 0.000 1.065 28 V CB -1.298 30.480 31.823 -0.075 0.000 0.681 28 V HN 0.587 8.777 8.190 0.000 0.000 0.462 29 T N 1.248 115.729 114.554 -0.121 0.000 2.569 29 T HA -0.167 4.197 4.350 0.022 0.000 0.263 29 T C 1.875 176.471 174.700 -0.173 0.000 1.074 29 T CA 1.787 63.817 62.100 -0.117 0.000 1.176 29 T CB -0.475 68.316 68.868 -0.129 0.000 0.863 29 T HN 0.322 8.562 8.240 0.000 0.000 0.410 30 L N 1.278 122.318 121.223 -0.305 0.000 2.357 30 L HA -0.158 4.195 4.340 0.022 0.000 0.220 30 L C 2.358 179.134 176.870 -0.158 0.000 1.123 30 L CA 0.867 55.439 54.840 -0.447 0.000 0.782 30 L CB -0.737 41.098 42.059 -0.374 0.000 0.910 30 L HN 0.240 8.470 8.230 0.000 0.000 0.442 31 Q N -0.046 119.684 119.800 -0.117 0.000 2.491 31 Q HA 0.036 4.390 4.340 0.022 0.000 0.214 31 Q C 1.896 177.913 176.000 0.027 0.000 0.970 31 Q CA 0.731 56.472 55.803 -0.102 0.000 0.960 31 Q CB 0.093 28.610 28.738 -0.367 0.000 0.996 31 Q HN 0.610 8.880 8.270 0.000 0.000 0.524 32 L N -1.927 119.421 121.223 0.209 0.000 2.269 32 L HA 0.042 4.395 4.340 0.022 0.000 0.200 32 L C 1.409 178.550 176.870 0.452 0.000 1.069 32 L CA 0.220 55.295 54.840 0.391 0.000 0.804 32 L CB -0.366 41.906 42.059 0.355 0.000 0.987 32 L HN 0.059 8.289 8.230 0.000 0.000 0.468 33 F N 1.019 121.013 119.950 0.073 0.000 2.346 33 F HA -0.191 4.349 4.527 0.022 0.000 0.301 33 F C 0.699 176.551 175.800 0.087 0.000 1.070 33 F CA 0.935 58.973 58.000 0.062 0.000 1.407 33 F CB -0.954 38.068 39.000 0.036 0.000 1.072 33 F HN 0.218 8.518 8.300 0.000 0.000 0.543 34 N N -1.870 117.015 118.700 0.308 0.000 2.628 34 N HA 0.079 4.832 4.740 0.022 0.000 0.299 34 N C 0.653 176.312 175.510 0.248 0.000 1.834 34 N CA -0.137 53.047 53.050 0.223 0.000 0.871 34 N CB -0.242 38.343 38.487 0.162 0.000 1.377 34 N HN -0.103 8.277 8.380 0.000 0.000 0.493 35 F N 1.247 121.289 119.950 0.153 0.000 2.373 35 F HA -0.167 4.374 4.527 0.022 0.000 0.300 35 F C 1.614 177.538 175.800 0.207 0.000 1.080 35 F CA 1.525 59.642 58.000 0.195 0.000 1.417 35 F CB 0.258 39.339 39.000 0.135 0.000 1.070 35 F HN 0.275 8.575 8.300 0.000 0.000 0.546 36 D N 0.111 120.653 120.400 0.237 0.000 2.077 36 D HA -0.178 4.475 4.640 0.022 0.000 0.196 36 D C 2.047 178.382 176.300 0.059 0.000 0.986 36 D CA 1.666 55.752 54.000 0.143 0.000 0.829 36 D CB -0.415 40.457 40.800 0.121 0.000 0.983 36 D HN 0.442 8.812 8.370 0.000 0.000 0.453 37 E N 0.353 120.592 120.200 0.066 0.000 2.058 37 E HA -0.183 4.180 4.350 0.022 0.000 0.194 37 E C 2.095 178.679 176.600 -0.026 0.000 0.997 37 E CA 0.566 56.981 56.400 0.025 0.000 0.801 37 E CB -0.360 29.369 29.700 0.048 0.000 0.746 37 E HN 0.187 8.547 8.360 0.000 0.000 0.450 38 F N 1.926 121.788 119.950 -0.146 0.000 2.063 38 F HA -0.259 4.281 4.527 0.022 0.000 0.298 38 F C 2.056 177.696 175.800 -0.267 0.000 1.109 38 F CA 1.510 59.367 58.000 -0.238 0.000 1.212 38 F CB -0.334 38.435 39.000 -0.384 0.000 0.973 38 F HN -0.082 8.218 8.300 0.000 0.000 0.480 39 L N 0.028 121.018 121.223 -0.390 0.000 2.012 39 L HA -0.268 4.085 4.340 0.022 0.000 0.210 39 L C 2.610 179.347 176.870 -0.222 0.000 1.073 39 L CA 1.757 56.399 54.840 -0.331 0.000 0.748 39 L CB -0.670 41.326 42.059 -0.105 0.000 0.891 39 L HN 0.107 8.337 8.230 0.000 0.000 0.431 40 K N -0.264 120.053 120.400 -0.138 0.000 2.009 40 K HA -0.212 4.122 4.320 0.022 0.000 0.210 40 K C 2.194 178.718 176.600 -0.128 0.000 1.049 40 K CA 1.509 57.743 56.287 -0.087 0.000 0.929 40 K CB -0.341 32.130 32.500 -0.048 0.000 0.714 40 K HN 0.310 8.560 8.250 0.000 0.000 0.440 41 A N 1.656 124.358 122.820 -0.197 0.000 1.873 41 A HA -0.221 4.112 4.320 0.022 0.000 0.218 41 A C 2.409 179.822 177.584 -0.286 0.000 1.193 41 A CA 2.251 54.144 52.037 -0.239 0.000 0.629 41 A CB -0.936 17.899 19.000 -0.276 0.000 0.826 41 A HN 0.390 8.540 8.150 0.000 0.000 0.447 42 A N -0.257 122.330 122.820 -0.388 0.000 1.986 42 A HA -0.125 4.209 4.320 0.022 0.000 0.220 42 A C 2.349 180.035 177.584 0.170 0.000 1.171 42 A CA 2.428 54.329 52.037 -0.226 0.000 0.640 42 A CB -0.766 18.007 19.000 -0.378 0.000 0.811 42 A HN 0.721 8.871 8.150 0.000 0.000 0.451 43 S N -0.443 115.296 115.700 0.066 0.000 2.458 43 S HA 0.004 4.488 4.470 0.022 0.000 0.223 43 S C 0.721 175.425 174.600 0.174 0.000 1.019 43 S CA 0.129 58.420 58.200 0.151 0.000 0.937 43 S CB -0.313 62.916 63.200 0.048 0.000 0.788 43 S HN 0.575 8.885 8.310 0.000 0.000 0.511 44 D N 4.498 124.927 120.400 0.047 0.000 2.518 44 D HA -0.000 4.653 4.640 0.022 0.000 0.270 44 D C -1.339 175.006 176.300 0.075 0.000 1.338 44 D CA -1.242 52.765 54.000 0.011 0.000 0.983 44 D CB 0.823 41.573 40.800 -0.083 0.000 1.126 44 D HN 0.161 8.531 8.370 0.000 0.000 0.543 45 P HA -0.119 4.301 4.420 0.000 0.000 0.231 45 P C 0.916 178.287 177.300 0.117 0.000 1.158 45 P CA 0.514 63.748 63.100 0.223 0.000 0.763 45 P CB 0.265 32.047 31.700 0.137 0.000 0.805 46 A N 0.193 123.034 122.820 0.035 0.000 1.897 46 A HA -0.070 4.263 4.320 0.022 0.000 0.215 46 A C 2.425 179.985 177.584 -0.040 0.000 1.181 46 A CA 1.359 53.404 52.037 0.014 0.000 0.620 46 A CB -1.481 17.521 19.000 0.004 0.000 0.821 46 A HN 0.053 8.203 8.150 0.000 0.000 0.443 47 V N -1.658 118.161 119.914 -0.159 0.000 2.233 47 V HA -0.318 3.815 4.120 0.022 0.000 0.247 47 V C 2.311 178.193 176.094 -0.353 0.000 1.050 47 V CA 2.054 64.148 62.300 -0.344 0.000 1.010 47 V CB -1.165 30.285 31.823 -0.621 0.000 0.637 47 V HN 0.817 9.007 8.190 0.000 0.000 0.444 48 W N 0.234 121.494 121.300 -0.067 0.000 2.350 48 W HA -0.148 4.525 4.660 0.022 0.000 0.289 48 W C 2.523 179.007 176.519 -0.059 0.000 1.215 48 W CA 1.149 58.448 57.345 -0.076 0.000 1.236 48 W CB -0.327 29.094 29.460 -0.065 0.000 1.130 48 W HN 0.149 8.329 8.180 0.000 0.000 0.541 49 K N -0.051 120.431 120.400 0.137 0.000 2.057 49 K HA -0.159 4.174 4.320 0.022 0.000 0.207 49 K C 1.779 178.415 176.600 0.060 0.000 1.049 49 K CA 1.706 58.049 56.287 0.094 0.000 0.931 49 K CB -0.681 31.866 32.500 0.079 0.000 0.714 49 K HN 0.055 8.305 8.250 0.000 0.000 0.440 50 V N 0.952 120.874 119.914 0.014 0.000 2.244 50 V HA -0.220 3.913 4.120 0.022 0.000 0.244 50 V C 2.316 178.385 176.094 -0.040 0.000 1.042 50 V CA 1.428 63.723 62.300 -0.008 0.000 1.006 50 V CB -0.447 31.346 31.823 -0.050 0.000 0.641 50 V HN 0.059 8.249 8.190 0.000 0.000 0.446 51 V N 0.188 120.027 119.914 -0.126 0.000 2.277 51 V HA -0.339 3.794 4.120 0.022 0.000 0.253 51 V C 2.363 178.340 176.094 -0.196 0.000 1.067 51 V CA 2.428 64.578 62.300 -0.251 0.000 1.047 51 V CB -0.628 31.013 31.823 -0.303 0.000 0.649 51 V HN 0.452 8.642 8.190 0.000 0.000 0.447 52 L N -0.620 120.593 121.223 -0.016 0.000 2.017 52 L HA -0.165 4.188 4.340 0.022 0.000 0.208 52 L C 2.624 179.602 176.870 0.180 0.000 1.073 52 L CA 2.102 56.997 54.840 0.093 0.000 0.745 52 L CB -1.323 40.795 42.059 0.098 0.000 0.894 52 L HN 0.384 8.614 8.230 0.000 0.000 0.432 53 T N -0.872 113.763 114.554 0.136 0.000 2.720 53 T HA -0.192 4.171 4.350 0.022 0.000 0.268 53 T C 1.843 176.666 174.700 0.205 0.000 1.037 53 T CA 1.905 64.115 62.100 0.185 0.000 1.144 53 T CB -0.434 68.510 68.868 0.127 0.000 0.864 53 T HN 0.370 8.610 8.240 0.000 0.000 0.444 54 T N 1.441 116.082 114.554 0.145 0.000 2.520 54 T HA -0.136 4.227 4.350 0.022 0.000 0.258 54 T C 1.689 176.544 174.700 0.258 0.000 1.125 54 T CA 1.448 63.638 62.100 0.150 0.000 1.206 54 T CB -0.770 68.173 68.868 0.126 0.000 0.864 54 T HN 0.258 8.498 8.240 0.000 0.000 0.400 55 Y N 0.509 120.850 120.300 0.068 0.000 2.096 55 Y HA -0.208 4.356 4.550 0.023 0.000 0.278 55 Y C 2.358 178.472 175.900 0.357 0.000 1.192 55 Y CA 0.888 59.106 58.100 0.198 0.000 1.143 55 Y CB -1.358 37.331 38.460 0.381 0.000 0.963 55 Y HN 0.374 8.654 8.280 0.000 0.000 0.505 56 Y N 0.027 120.544 120.300 0.363 0.000 2.242 56 Y HA -0.066 4.498 4.550 0.023 0.000 0.291 56 Y C 2.365 178.382 175.900 0.195 0.000 1.137 56 Y CA 1.162 59.419 58.100 0.260 0.000 1.181 56 Y CB -0.559 38.009 38.460 0.180 0.000 0.989 56 Y HN 0.030 8.310 8.280 0.000 0.000 0.527 57 A N 0.476 123.335 122.820 0.066 0.000 1.898 57 A HA -0.030 4.303 4.320 0.022 0.000 0.216 57 A C 2.399 179.942 177.584 -0.068 0.000 1.181 57 A CA 1.623 53.622 52.037 -0.064 0.000 0.620 57 A CB -1.425 17.598 19.000 0.038 0.000 0.819 57 A HN 0.564 8.714 8.150 0.000 0.000 0.442 58 A N -0.596 122.210 122.820 -0.022 0.000 1.969 58 A HA -0.005 4.328 4.320 0.022 0.000 0.218 58 A C 2.132 179.803 177.584 0.146 0.000 1.169 58 A CA 1.438 53.433 52.037 -0.071 0.000 0.635 58 A CB -0.542 18.223 19.000 -0.392 0.000 0.810 58 A HN 0.583 8.733 8.150 0.000 0.000 0.445 59 L N -0.509 120.895 121.223 0.302 0.000 2.201 59 L HA -0.061 4.293 4.340 0.022 0.000 0.212 59 L C 2.144 179.045 176.870 0.051 0.000 1.105 59 L CA 1.177 56.210 54.840 0.323 0.000 0.775 59 L CB -0.146 42.065 42.059 0.255 0.000 0.913 59 L HN 0.424 8.654 8.230 0.000 0.000 0.440 60 I N -1.175 119.341 120.570 -0.089 0.000 2.333 60 I HA -0.220 3.963 4.170 0.022 0.000 0.246 60 I C 2.673 178.763 176.117 -0.045 0.000 1.106 60 I CA 1.114 62.345 61.300 -0.115 0.000 1.411 60 I CB -0.439 37.434 38.000 -0.212 0.000 1.082 60 I HN 0.399 8.609 8.210 0.000 0.000 0.420 61 S N 0.314 115.996 115.700 -0.030 0.000 2.370 61 S HA -0.207 4.276 4.470 0.022 0.000 0.226 61 S C 2.023 176.616 174.600 -0.012 0.000 1.033 61 S CA 2.000 60.188 58.200 -0.021 0.000 1.011 61 S CB -0.963 62.227 63.200 -0.017 0.000 0.852 61 S HN 0.352 8.662 8.310 0.000 0.000 0.457 62 T N 3.341 117.909 114.554 0.023 0.000 2.652 62 T HA 0.035 4.398 4.350 0.022 0.000 0.267 62 T C 1.782 176.429 174.700 -0.089 0.000 1.039 62 T CA 1.686 63.777 62.100 -0.015 0.000 1.153 62 T CB -0.652 68.264 68.868 0.079 0.000 0.863 62 T HN 0.332 8.572 8.240 0.000 0.000 0.428 63 L N 0.441 121.640 121.223 -0.041 0.000 2.013 63 L HA -0.130 4.223 4.340 0.022 0.000 0.212 63 L C 2.550 179.426 176.870 0.010 0.000 1.073 63 L CA 1.534 56.357 54.840 -0.030 0.000 0.753 63 L CB -0.818 41.241 42.059 0.000 0.000 0.890 63 L HN 0.314 8.544 8.230 0.000 0.000 0.432 64 I N -0.092 120.495 120.570 0.027 0.000 2.264 64 I HA -0.299 3.884 4.170 0.022 0.000 0.248 64 I C 2.843 179.023 176.117 0.105 0.000 1.111 64 I CA 1.148 62.500 61.300 0.087 0.000 1.382 64 I CB -0.531 37.457 38.000 -0.020 0.000 1.060 64 I HN 0.229 8.439 8.210 0.000 0.000 0.418 65 A N 0.840 123.644 122.820 -0.027 0.000 1.835 65 A HA -0.167 4.166 4.320 0.022 0.000 0.215 65 A C 2.452 179.934 177.584 -0.168 0.000 1.199 65 A CA 1.983 53.970 52.037 -0.084 0.000 0.615 65 A CB -1.149 17.726 19.000 -0.209 0.000 0.838 65 A HN 0.185 8.335 8.150 0.000 0.000 0.444 66 V N 0.520 120.155 119.914 -0.466 0.000 2.231 66 V HA -0.360 3.773 4.120 0.022 0.000 0.250 66 V C 2.460 178.582 176.094 0.047 0.000 1.058 66 V CA 2.450 64.534 62.300 -0.359 0.000 1.022 66 V CB -0.842 30.837 31.823 -0.240 0.000 0.640 66 V HN 0.588 8.778 8.190 0.000 0.000 0.445 67 I N -1.601 119.020 120.570 0.085 0.000 2.335 67 I HA -0.249 3.934 4.170 0.022 0.000 0.251 67 I C 2.036 178.186 176.117 0.056 0.000 1.129 67 I CA 1.838 63.199 61.300 0.102 0.000 1.402 67 I CB -0.247 37.835 38.000 0.137 0.000 1.069 67 I HN 0.276 8.486 8.210 0.000 0.000 0.424 68 F N -0.681 119.309 119.950 0.067 0.000 2.637 68 F HA 0.254 4.794 4.527 0.021 0.000 0.284 68 F C 2.323 178.199 175.800 0.126 0.000 1.105 68 F CA 0.473 58.523 58.000 0.084 0.000 1.356 68 F CB -0.750 38.289 39.000 0.066 0.000 1.096 68 F HN -0.127 8.173 8.300 0.000 0.000 0.616 69 G N -0.419 108.599 108.800 0.363 0.000 2.394 69 G HA2 -0.153 3.820 3.960 0.022 0.000 0.215 69 G HA3 -0.153 3.820 3.960 0.022 0.000 0.215 69 G C 1.686 176.845 174.900 0.432 0.000 1.165 69 G CA 1.497 46.834 45.100 0.396 0.000 0.784 69 G HN 0.225 8.515 8.290 0.000 0.000 0.535 70 T N 2.384 117.248 114.554 0.515 0.000 2.580 70 T HA -0.116 4.247 4.350 0.022 0.000 0.265 70 T C 0.280 175.175 174.700 0.324 0.000 1.063 70 T CA 1.866 64.262 62.100 0.493 0.000 1.170 70 T CB -1.086 68.065 68.868 0.472 0.000 0.863 70 T HN 0.248 8.488 8.240 0.000 0.000 0.418 71 P HA -0.128 4.292 4.420 0.000 0.000 0.218 71 P C 1.720 179.064 177.300 0.074 0.000 1.154 71 P CA 1.070 64.202 63.100 0.053 0.000 0.872 71 P CB -0.235 31.457 31.700 -0.013 0.000 0.790 72 L N -0.288 121.009 121.223 0.123 0.000 2.056 72 L HA -0.003 4.350 4.340 0.022 0.000 0.207 72 L C 2.471 179.404 176.870 0.105 0.000 1.078 72 L CA 1.975 56.880 54.840 0.110 0.000 0.749 72 L CB -1.559 40.579 42.059 0.132 0.000 0.901 72 L HN -0.100 8.130 8.230 0.000 0.000 0.433 73 A N -1.368 121.547 122.820 0.158 0.000 1.933 73 A HA -0.278 4.055 4.320 0.022 0.000 0.218 73 A C 2.259 179.890 177.584 0.078 0.000 1.175 73 A CA 1.836 53.977 52.037 0.174 0.000 0.628 73 A CB -1.105 18.066 19.000 0.286 0.000 0.814 73 A HN 0.623 8.773 8.150 0.000 0.000 0.444 74 Y N 0.540 120.634 120.300 -0.343 0.000 2.109 74 Y HA -0.163 4.407 4.550 0.033 0.000 0.285 74 Y C 2.033 177.751 175.900 -0.304 0.000 1.131 74 Y CA 1.595 59.212 58.100 -0.804 0.000 1.121 74 Y CB -0.486 37.489 38.460 -0.809 0.000 0.987 74 Y HN 0.243 8.523 8.280 0.000 0.000 0.495 75 I N 0.019 120.486 120.570 -0.172 0.000 2.381 75 I HA -0.362 3.822 4.170 0.022 0.000 0.255 75 I C 2.183 178.270 176.117 -0.050 0.000 1.140 75 I CA 1.419 62.645 61.300 -0.124 0.000 1.404 75 I CB -0.416 37.594 38.000 0.017 0.000 1.075 75 I HN 0.338 8.548 8.210 0.000 0.000 0.433 76 L N -0.083 121.118 121.223 -0.037 0.000 2.209 76 L HA -0.032 4.321 4.340 0.022 0.000 0.207 76 L C 2.736 179.552 176.870 -0.090 0.000 1.094 76 L CA 0.861 55.683 54.840 -0.029 0.000 0.790 76 L CB -0.504 41.561 42.059 0.010 0.000 0.932 76 L HN 0.173 8.403 8.230 0.000 0.000 0.447 77 A N -0.440 122.318 122.820 -0.102 0.000 2.016 77 A HA -0.055 4.278 4.320 0.022 0.000 0.217 77 A C 2.277 179.770 177.584 -0.153 0.000 1.162 77 A CA 0.838 52.825 52.037 -0.084 0.000 0.662 77 A CB -0.092 18.925 19.000 0.029 0.000 0.812 77 A HN 0.192 8.342 8.150 0.000 0.000 0.450 78 R N 0.422 120.752 120.500 -0.283 0.000 1.855 78 R HA 0.187 4.540 4.340 0.022 0.000 0.168 78 R C 0.221 176.417 176.300 -0.174 0.000 1.791 78 R CA 0.216 56.146 56.100 -0.284 0.000 1.428 78 R CB -1.083 28.883 30.300 -0.556 0.000 1.037 78 R HN 0.357 8.627 8.270 0.000 0.000 0.483 79 K N 1.853 122.163 120.400 -0.150 0.000 2.455 79 K HA 0.013 4.346 4.320 0.022 0.000 0.269 79 K C 0.044 176.593 176.600 -0.085 0.000 0.972 79 K CA 0.618 56.889 56.287 -0.026 0.000 0.938 79 K CB 0.235 32.802 32.500 0.111 0.000 0.931 79 K HN 0.379 8.629 8.250 0.000 0.000 0.507 80 S N 1.692 117.334 115.700 -0.096 0.000 2.775 80 S HA 0.504 4.988 4.470 0.022 0.000 0.277 80 S C -0.643 173.833 174.600 -0.207 0.000 1.156 80 S CA -1.090 56.921 58.200 -0.315 0.000 1.081 80 S CB 0.038 63.115 63.200 -0.204 0.000 1.054 80 S HN 0.492 8.802 8.310 0.000 0.000 0.482 81 F N 1.384 121.313 119.950 -0.035 0.000 2.611 81 F HA 0.788 5.306 4.527 -0.015 0.000 0.374 81 F C -1.291 174.497 175.800 -0.021 0.000 1.110 81 F CA -2.584 55.400 58.000 -0.027 0.000 1.090 81 F CB -0.611 38.373 39.000 -0.027 0.000 1.388 81 F HN 0.286 8.586 8.300 0.000 0.000 0.501 82 P HA 0.018 4.438 4.420 0.000 0.000 0.216 82 P C 1.526 178.909 177.300 0.139 0.000 1.153 82 P CA 1.821 64.989 63.100 0.114 0.000 0.844 82 P CB -0.374 31.388 31.700 0.103 0.000 0.787 83 G N 0.730 109.734 108.800 0.339 0.000 2.418 83 G HA2 -0.227 3.747 3.960 0.022 0.000 0.217 83 G HA3 -0.227 3.747 3.960 0.022 0.000 0.217 83 G C 1.649 176.684 174.900 0.225 0.000 1.158 83 G CA 0.976 46.254 45.100 0.297 0.000 0.771 83 G HN 0.223 8.513 8.290 0.000 0.000 0.545 84 K N 0.020 120.504 120.400 0.139 0.000 2.248 84 K HA -0.340 3.994 4.320 0.022 0.000 0.216 84 K C 2.712 179.289 176.600 -0.038 0.000 0.902 84 K CA 2.323 58.505 56.287 -0.175 0.000 0.975 84 K CB -0.781 31.342 32.500 -0.628 0.000 1.016 84 K HN 0.330 8.580 8.250 0.000 0.000 0.508 85 S N 0.067 115.732 115.700 -0.058 0.000 2.393 85 S HA -0.211 4.272 4.470 0.022 0.000 0.234 85 S C 1.987 176.591 174.600 0.007 0.000 1.064 85 S CA 1.928 60.111 58.200 -0.028 0.000 1.088 85 S CB -0.391 62.796 63.200 -0.022 0.000 0.939 85 S HN 0.199 8.509 8.310 0.000 0.000 0.448 86 V N 1.078 121.015 119.914 0.037 0.000 2.255 86 V HA -0.122 4.011 4.120 0.022 0.000 0.243 86 V C 2.328 178.457 176.094 0.059 0.000 1.038 86 V CA 1.517 63.845 62.300 0.046 0.000 1.008 86 V CB -0.729 31.128 31.823 0.057 0.000 0.645 86 V HN 0.371 8.561 8.190 0.000 0.000 0.449 87 V N 0.173 120.148 119.914 0.102 0.000 2.317 87 V HA -0.355 3.778 4.120 0.022 0.000 0.251 87 V C 2.391 178.529 176.094 0.073 0.000 1.065 87 V CA 2.404 64.772 62.300 0.114 0.000 1.049 87 V CB -0.828 31.129 31.823 0.224 0.000 0.651 87 V HN 0.654 8.844 8.190 0.000 0.000 0.450 88 E N 0.081 120.309 120.200 0.047 0.000 2.106 88 E HA -0.118 4.245 4.350 0.022 0.000 0.192 88 E C 2.353 178.960 176.600 0.010 0.000 0.984 88 E CA 1.129 57.539 56.400 0.017 0.000 0.806 88 E CB -0.428 29.264 29.700 -0.013 0.000 0.750 88 E HN 0.679 9.039 8.360 0.000 0.000 0.458 89 G N 1.605 110.412 108.800 0.012 0.000 2.404 89 G HA2 -0.212 3.761 3.960 0.022 0.000 0.215 89 G HA3 -0.212 3.761 3.960 0.022 0.000 0.215 89 G C 1.625 176.530 174.900 0.008 0.000 1.174 89 G CA 0.351 45.456 45.100 0.008 0.000 0.780 89 G HN 0.097 8.387 8.290 0.000 0.000 0.537 90 I N 0.598 121.179 120.570 0.019 0.000 2.194 90 I HA -0.204 3.979 4.170 0.022 0.000 0.246 90 I C 2.750 178.862 176.117 -0.008 0.000 1.093 90 I CA 0.661 61.971 61.300 0.017 0.000 1.355 90 I CB -0.284 37.735 38.000 0.032 0.000 1.046 90 I HN 0.020 8.230 8.210 0.000 0.000 0.413 91 V N 0.555 120.468 119.914 -0.001 0.000 2.469 91 V HA -0.283 3.850 4.120 0.022 0.000 0.251 91 V C 1.588 177.653 176.094 -0.049 0.000 1.064 91 V CA 1.883 64.172 62.300 -0.017 0.000 1.066 91 V CB -0.578 31.252 31.823 0.011 0.000 0.667 91 V HN 0.431 8.621 8.190 0.000 0.000 0.461 92 D N -0.887 119.491 120.400 -0.035 0.000 2.339 92 D HA 0.115 4.769 4.640 0.022 0.000 0.217 92 D C 2.013 178.284 176.300 -0.049 0.000 1.050 92 D CA 0.053 54.028 54.000 -0.042 0.000 0.856 92 D CB 0.415 41.203 40.800 -0.020 0.000 0.922 92 D HN 0.333 8.703 8.370 0.000 0.000 0.518 93 L N 1.842 123.034 121.223 -0.052 0.000 1.976 93 L HA -0.202 4.151 4.340 0.022 0.000 0.223 93 L C -0.417 176.438 176.870 -0.025 0.000 1.081 93 L CA 1.967 56.796 54.840 -0.018 0.000 0.784 93 L CB -1.706 40.361 42.059 0.013 0.000 0.896 93 L HN 0.080 8.310 8.230 0.000 0.000 0.438 94 P HA -0.179 4.241 4.420 0.000 0.000 0.219 94 P C 1.564 178.863 177.300 -0.002 0.000 1.145 94 P CA 1.546 64.537 63.100 -0.182 0.000 0.813 94 P CB -0.150 31.133 31.700 -0.695 0.000 0.771 95 V N -0.944 118.956 119.914 -0.023 0.000 3.041 95 V HA -0.088 4.045 4.120 0.022 0.000 0.260 95 V C 2.477 178.584 176.094 0.022 0.000 1.105 95 V CA 1.213 63.519 62.300 0.010 0.000 1.125 95 V CB -0.496 31.324 31.823 -0.005 0.000 0.730 95 V HN -0.002 8.188 8.190 0.000 0.000 0.479 96 V N -0.873 119.057 119.914 0.027 0.000 3.431 96 V HA 0.254 4.387 4.120 0.022 0.000 0.253 96 V C 0.870 176.982 176.094 0.032 0.000 1.184 96 V CA 0.264 62.577 62.300 0.022 0.000 1.104 96 V CB 0.183 32.017 31.823 0.019 0.000 0.799 96 V HN 0.338 8.528 8.190 0.000 0.000 0.462 97 I N 4.359 124.975 120.570 0.077 0.000 2.322 97 I HA 0.226 4.409 4.170 0.022 0.000 0.292 97 I C -1.914 174.239 176.117 0.061 0.000 1.060 97 I CA -1.725 59.629 61.300 0.089 0.000 1.309 97 I CB 0.904 39.015 38.000 0.186 0.000 1.415 97 I HN 0.122 8.332 8.210 0.000 0.000 0.492 98 P HA -0.056 4.364 4.420 0.000 0.000 0.265 98 P C 0.444 177.717 177.300 -0.046 0.000 1.187 98 P CA 0.128 63.149 63.100 -0.131 0.000 0.766 98 P CB 0.465 32.088 31.700 -0.128 0.000 0.820 99 H N 1.619 120.691 119.070 0.004 0.000 2.260 99 H HA -0.166 4.404 4.556 0.022 0.000 0.288 99 H C 1.860 177.147 175.328 -0.068 0.000 1.094 99 H CA 2.391 58.427 56.048 -0.019 0.000 1.197 99 H CB -1.950 27.789 29.762 -0.038 0.000 1.346 99 H HN 0.418 8.698 8.280 0.000 0.000 0.486 100 T N 1.471 116.047 114.554 0.037 0.000 2.597 100 T HA -0.156 4.207 4.350 0.022 0.000 0.267 100 T C 2.482 177.151 174.700 -0.053 0.000 1.053 100 T CA 2.198 64.273 62.100 -0.041 0.000 1.165 100 T CB -0.689 68.149 68.868 -0.049 0.000 0.863 100 T HN 0.146 8.386 8.240 0.000 0.000 0.427 101 V N 1.893 121.782 119.914 -0.042 0.000 2.282 101 V HA -0.235 3.899 4.120 0.022 0.000 0.249 101 V C 2.877 178.911 176.094 -0.100 0.000 1.057 101 V CA 1.789 64.057 62.300 -0.054 0.000 1.032 101 V CB -1.449 30.355 31.823 -0.032 0.000 0.645 101 V HN 0.582 8.772 8.190 0.000 0.000 0.447 102 A N 0.782 123.542 122.820 -0.099 0.000 1.873 102 A HA -0.190 4.144 4.320 0.022 0.000 0.218 102 A C 2.469 179.865 177.584 -0.314 0.000 1.193 102 A CA 2.411 54.279 52.037 -0.282 0.000 0.629 102 A CB -1.488 17.438 19.000 -0.123 0.000 0.826 102 A HN 0.548 8.698 8.150 0.000 0.000 0.447 103 G N -0.214 108.479 108.800 -0.179 0.000 2.491 103 G HA2 -0.249 3.724 3.960 0.022 0.000 0.218 103 G HA3 -0.249 3.724 3.960 0.022 0.000 0.218 103 G C 1.568 176.388 174.900 -0.134 0.000 1.180 103 G CA 1.166 46.172 45.100 -0.158 0.000 0.774 103 G HN 0.477 8.767 8.290 0.000 0.000 0.562 104 I N 1.391 121.897 120.570 -0.106 0.000 2.118 104 I HA -0.281 3.902 4.170 0.022 0.000 0.241 104 I C 3.332 179.397 176.117 -0.086 0.000 1.070 104 I CA 1.235 62.489 61.300 -0.076 0.000 1.327 104 I CB -0.249 37.715 38.000 -0.060 0.000 1.034 104 I HN 0.280 8.490 8.210 0.000 0.000 0.405 105 A N 0.635 123.379 122.820 -0.127 0.000 1.908 105 A HA -0.189 4.144 4.320 0.022 0.000 0.218 105 A C 2.286 179.793 177.584 -0.127 0.000 1.181 105 A CA 1.449 53.406 52.037 -0.134 0.000 0.627 105 A CB -0.868 18.021 19.000 -0.185 0.000 0.818 105 A HN 0.406 8.556 8.150 0.000 0.000 0.445 106 L N -0.890 120.222 121.223 -0.185 0.000 2.046 106 L HA -0.173 4.180 4.340 0.022 0.000 0.208 106 L C 2.630 179.537 176.870 0.063 0.000 1.077 106 L CA 1.220 56.006 54.840 -0.090 0.000 0.747 106 L CB -0.466 41.459 42.059 -0.224 0.000 0.896 106 L HN 0.461 8.691 8.230 0.000 0.000 0.432 107 L N -0.343 120.877 121.223 -0.005 0.000 2.042 107 L HA -0.214 4.140 4.340 0.022 0.000 0.210 107 L C 2.352 179.239 176.870 0.029 0.000 1.076 107 L CA 1.102 55.962 54.840 0.033 0.000 0.749 107 L CB -0.081 41.981 42.059 0.004 0.000 0.893 107 L HN 0.046 8.276 8.230 0.000 0.000 0.432 108 V N -0.669 119.239 119.914 -0.011 0.000 3.140 108 V HA -0.201 3.932 4.120 0.022 0.000 0.269 108 V C 1.864 177.913 176.094 -0.074 0.000 1.149 108 V CA 1.112 63.391 62.300 -0.035 0.000 1.162 108 V CB -0.020 31.775 31.823 -0.047 0.000 0.756 108 V HN 0.361 8.551 8.190 0.000 0.000 0.523 109 V N -2.811 117.053 119.914 -0.084 0.000 3.473 109 V HA 0.234 4.367 4.120 0.022 0.000 0.253 109 V C 1.241 176.980 176.094 -0.591 0.000 1.340 109 V CA 0.552 62.662 62.300 -0.315 0.000 1.103 109 V CB 0.142 31.749 31.823 -0.360 0.000 0.881 109 V HN 0.474 8.664 8.190 0.000 0.000 0.451 110 F N 0.930 120.738 119.950 -0.236 0.000 2.706 110 F HA 0.563 5.103 4.527 0.021 0.000 0.313 110 F C 1.501 177.279 175.800 -0.037 0.000 1.096 110 F CA -0.334 57.462 58.000 -0.340 0.000 1.219 110 F CB 0.021 38.530 39.000 -0.817 0.000 1.051 110 F HN 0.115 8.415 8.300 0.000 0.000 0.568 111 G N -0.085 108.793 108.800 0.131 0.000 2.415 111 G HA2 0.286 4.260 3.960 0.022 0.000 0.269 111 G HA3 0.286 4.260 3.960 0.022 0.000 0.269 111 G C 0.846 175.810 174.900 0.107 0.000 1.209 111 G CA -0.063 45.114 45.100 0.129 0.000 0.835 111 G HN 0.144 8.434 8.290 0.000 0.000 0.534 112 S N 1.983 117.756 115.700 0.122 0.000 2.434 112 S HA -0.277 4.206 4.470 0.022 0.000 0.250 112 S C 2.669 177.315 174.600 0.077 0.000 1.102 112 S CA 2.071 60.333 58.200 0.102 0.000 1.104 112 S CB -0.331 62.918 63.200 0.083 0.000 0.957 112 S HN 0.608 8.918 8.310 0.000 0.000 0.456 113 S N 1.275 117.009 115.700 0.057 0.000 2.338 113 S HA 0.113 4.596 4.470 0.022 0.000 0.218 113 S C 1.521 176.142 174.600 0.034 0.000 1.032 113 S CA 0.767 58.992 58.200 0.042 0.000 0.999 113 S CB -0.952 62.265 63.200 0.028 0.000 0.905 113 S HN 0.734 9.044 8.310 0.000 0.000 0.439 114 G N 1.036 109.841 108.800 0.007 0.000 2.732 114 G HA2 0.268 4.241 3.960 0.022 0.000 0.244 114 G HA3 0.268 4.241 3.960 0.022 0.000 0.244 114 G C 0.799 175.671 174.900 -0.046 0.000 1.226 114 G CA -0.436 44.642 45.100 -0.037 0.000 0.860 114 G HN 0.289 8.579 8.290 0.000 0.000 0.583 115 L N 0.109 121.258 121.223 -0.123 0.000 2.002 115 L HA -0.282 4.071 4.340 0.022 0.000 0.242 115 L C 2.971 179.745 176.870 -0.159 0.000 1.095 115 L CA 1.790 56.503 54.840 -0.211 0.000 0.834 115 L CB -0.700 41.168 42.059 -0.318 0.000 0.918 115 L HN 0.552 8.782 8.230 0.000 0.000 0.438 116 I N -0.184 120.210 120.570 -0.293 0.000 2.236 116 I HA -0.279 3.904 4.170 0.022 0.000 0.249 116 I C 2.599 178.695 176.117 -0.035 0.000 1.102 116 I CA 1.448 62.613 61.300 -0.225 0.000 1.365 116 I CB -1.103 36.552 38.000 -0.574 0.000 1.051 116 I HN 0.564 8.774 8.210 0.000 0.000 0.420 117 G N 0.231 108.978 108.800 -0.088 0.000 2.545 117 G HA2 -0.280 3.693 3.960 0.022 0.000 0.222 117 G HA3 -0.280 3.693 3.960 0.022 0.000 0.222 117 G C 1.724 176.737 174.900 0.188 0.000 1.126 117 G CA 1.425 46.588 45.100 0.106 0.000 0.754 117 G HN 0.444 8.734 8.290 0.000 0.000 0.583 118 S N 0.078 115.891 115.700 0.189 0.000 2.412 118 S HA 0.141 4.625 4.470 0.022 0.000 0.223 118 S C 1.622 176.319 174.600 0.161 0.000 1.048 118 S CA 0.080 58.386 58.200 0.176 0.000 0.954 118 S CB -0.218 63.111 63.200 0.214 0.000 0.840 118 S HN 0.244 8.554 8.310 0.000 0.000 0.503 119 F N 2.485 122.443 119.950 0.012 0.000 2.805 119 F HA 0.259 4.799 4.527 0.023 0.000 0.301 119 F C 1.124 176.953 175.800 0.048 0.000 1.196 119 F CA -0.041 57.968 58.000 0.015 0.000 1.439 119 F CB -0.229 38.763 39.000 -0.013 0.000 1.117 119 F HN 0.035 8.335 8.300 0.000 0.000 0.581 120 S N 0.741 116.584 115.700 0.237 0.000 2.519 120 S HA 0.350 4.833 4.470 0.022 0.000 0.309 120 S C -1.214 173.480 174.600 0.156 0.000 1.100 120 S CA -1.487 56.857 58.200 0.239 0.000 1.059 120 S CB 1.317 64.780 63.200 0.438 0.000 1.008 120 S HN -0.094 8.216 8.310 0.000 0.000 0.478 121 P HA 0.008 4.428 4.420 0.000 0.000 0.217 121 P C 0.533 177.833 177.300 0.001 0.000 1.151 121 P CA 0.241 63.365 63.100 0.039 0.000 0.828 121 P CB -0.106 31.612 31.700 0.029 0.000 0.788 122 L N 1.788 122.987 121.223 -0.040 0.000 2.456 122 L HA 0.144 4.497 4.340 0.022 0.000 0.277 122 L C 0.146 176.796 176.870 -0.367 0.000 1.124 122 L CA -0.403 54.312 54.840 -0.208 0.000 0.880 122 L CB -0.678 41.204 42.059 -0.295 0.000 1.192 122 L HN -0.182 8.048 8.230 0.000 0.000 0.463 123 K N 5.147 125.418 120.400 -0.215 0.000 2.412 123 K HA 0.063 4.396 4.320 0.022 0.000 0.281 123 K C 0.193 176.638 176.600 -0.257 0.000 1.027 123 K CA 0.390 56.606 56.287 -0.118 0.000 0.989 123 K CB 0.530 33.018 32.500 -0.020 0.000 0.935 123 K HN 0.565 8.815 8.250 0.000 0.000 0.475 124 F N 1.058 121.070 119.950 0.103 0.000 2.343 124 F HA -0.005 4.536 4.527 0.022 0.000 0.286 124 F C 0.932 176.768 175.800 0.059 0.000 1.057 124 F CA -0.272 57.778 58.000 0.083 0.000 1.365 124 F CB 0.050 39.131 39.000 0.134 0.000 1.114 124 F HN 0.157 8.457 8.300 0.000 0.000 0.545 125 V N 2.480 122.559 119.914 0.275 0.000 2.872 125 V HA -0.188 3.946 4.120 0.022 0.000 0.302 125 V C 0.323 176.492 176.094 0.126 0.000 1.166 125 V CA 0.432 62.833 62.300 0.169 0.000 1.298 125 V CB -0.284 31.627 31.823 0.145 0.000 0.894 125 V HN 0.488 8.678 8.190 0.000 0.000 0.509 126 D N 0.670 121.141 120.400 0.118 0.000 2.931 126 D HA -0.213 4.440 4.640 0.022 0.000 0.228 126 D C 0.188 176.554 176.300 0.110 0.000 1.180 126 D CA 1.674 55.749 54.000 0.125 0.000 0.784 126 D CB -0.780 40.097 40.800 0.129 0.000 1.093 126 D HN 1.029 9.399 8.370 0.000 0.000 0.421 127 A N -1.129 121.746 122.820 0.092 0.000 2.479 127 A HA 0.629 4.963 4.320 0.022 0.000 0.296 127 A C 0.951 178.572 177.584 0.061 0.000 1.121 127 A CA -0.486 51.590 52.037 0.065 0.000 0.743 127 A CB 1.049 20.060 19.000 0.019 0.000 1.323 127 A HN 0.012 8.162 8.150 0.000 0.000 0.415 128 L N 1.086 122.343 121.223 0.058 0.000 2.010 128 L HA -0.133 4.221 4.340 0.022 0.000 0.219 128 L C -0.873 176.024 176.870 0.046 0.000 1.077 128 L CA 3.073 57.952 54.840 0.066 0.000 0.773 128 L CB -1.160 40.952 42.059 0.088 0.000 0.892 128 L HN 0.599 8.829 8.230 0.000 0.000 0.436 129 P HA -0.167 4.253 4.420 0.000 0.000 0.216 129 P C 1.560 178.963 177.300 0.173 0.000 1.154 129 P CA 1.985 65.129 63.100 0.074 0.000 0.865 129 P CB -0.420 31.185 31.700 -0.158 0.000 0.789 130 G N -0.701 108.203 108.800 0.173 0.000 2.422 130 G HA2 -0.227 3.747 3.960 0.022 0.000 0.218 130 G HA3 -0.227 3.747 3.960 0.022 0.000 0.218 130 G C 1.490 176.380 174.900 -0.016 0.000 1.146 130 G CA 0.525 45.678 45.100 0.088 0.000 0.769 130 G HN 0.245 8.535 8.290 0.000 0.000 0.547 131 I N 0.165 120.740 120.570 0.007 0.000 2.202 131 I HA -0.142 4.041 4.170 0.022 0.000 0.242 131 I C 2.751 178.846 176.117 -0.038 0.000 1.091 131 I CA 0.427 61.718 61.300 -0.016 0.000 1.368 131 I CB -0.500 37.506 38.000 0.010 0.000 1.058 131 I HN 0.020 8.230 8.210 0.000 0.000 0.410 132 V N 0.750 120.646 119.914 -0.031 0.000 2.214 132 V HA -0.289 3.844 4.120 0.022 0.000 0.245 132 V C 2.506 178.554 176.094 -0.077 0.000 1.047 132 V CA 1.955 64.226 62.300 -0.048 0.000 0.998 132 V CB -0.523 31.279 31.823 -0.035 0.000 0.633 132 V HN 0.218 8.408 8.190 0.000 0.000 0.446 133 V N 0.082 119.913 119.914 -0.138 0.000 2.363 133 V HA -0.370 3.763 4.120 0.022 0.000 0.254 133 V C 2.582 178.586 176.094 -0.149 0.000 1.074 133 V CA 2.319 64.469 62.300 -0.250 0.000 1.069 133 V CB -1.185 30.247 31.823 -0.651 0.000 0.659 133 V HN 0.615 8.805 8.190 0.000 0.000 0.455 134 A N -0.651 122.095 122.820 -0.125 0.000 1.832 134 A HA -0.233 4.100 4.320 0.022 0.000 0.214 134 A C 2.207 179.788 177.584 -0.004 0.000 1.200 134 A CA 2.260 54.252 52.037 -0.076 0.000 0.610 134 A CB -0.499 18.450 19.000 -0.085 0.000 0.842 134 A HN 0.480 8.630 8.150 0.000 0.000 0.444 135 M N -1.166 118.418 119.600 -0.027 0.000 2.080 135 M HA -0.156 4.337 4.480 0.022 0.000 0.260 135 M C 2.209 178.516 176.300 0.012 0.000 1.068 135 M CA 1.608 56.896 55.300 -0.020 0.000 1.109 135 M CB -0.676 31.896 32.600 -0.047 0.000 1.342 135 M HN 0.454 8.744 8.290 0.000 0.000 0.405 136 L N 0.546 121.773 121.223 0.007 0.000 1.941 136 L HA -0.245 4.108 4.340 0.022 0.000 0.224 136 L C 2.297 179.197 176.870 0.051 0.000 1.081 136 L CA 2.089 56.937 54.840 0.014 0.000 0.784 136 L CB -1.181 40.871 42.059 -0.011 0.000 0.894 136 L HN 0.243 8.473 8.230 0.000 0.000 0.436 137 F N -0.567 119.350 119.950 -0.054 0.000 2.135 137 F HA -0.322 4.219 4.527 0.023 0.000 0.300 137 F C 2.002 177.798 175.800 -0.007 0.000 1.074 137 F CA 2.374 60.356 58.000 -0.029 0.000 1.262 137 F CB -0.344 38.631 39.000 -0.041 0.000 1.013 137 F HN 0.065 8.365 8.300 0.000 0.000 0.489 138 V N -0.947 119.053 119.914 0.143 0.000 2.951 138 V HA -0.120 4.013 4.120 0.022 0.000 0.255 138 V C 2.035 178.120 176.094 -0.014 0.000 1.088 138 V CA 1.411 63.752 62.300 0.068 0.000 1.109 138 V CB -0.648 31.231 31.823 0.094 0.000 0.724 138 V HN 0.504 8.694 8.190 0.000 0.000 0.471 139 S N -1.354 114.341 115.700 -0.008 0.000 2.505 139 S HA 0.080 4.563 4.470 0.022 0.000 0.216 139 S C 1.764 176.386 174.600 0.038 0.000 1.018 139 S CA 0.477 58.687 58.200 0.017 0.000 0.911 139 S CB 0.388 63.607 63.200 0.033 0.000 0.818 139 S HN 0.206 8.516 8.310 0.000 0.000 0.497 140 V N 4.269 124.184 119.914 0.003 0.000 2.233 140 V HA -0.178 3.956 4.120 0.022 0.000 0.252 140 V C 0.128 176.264 176.094 0.071 0.000 1.063 140 V CA 2.626 64.951 62.300 0.040 0.000 1.032 140 V CB -1.562 30.244 31.823 -0.028 0.000 0.645 140 V HN 0.428 8.618 8.190 0.000 0.000 0.446 141 P HA -0.197 4.223 4.420 0.000 0.000 0.214 141 P C 1.887 179.210 177.300 0.039 0.000 1.163 141 P CA 1.856 64.955 63.100 -0.001 0.000 0.883 141 P CB -0.141 31.526 31.700 -0.055 0.000 0.788 142 I N -1.749 118.849 120.570 0.047 0.000 2.236 142 I HA -0.302 3.881 4.170 0.022 0.000 0.249 142 I C 2.752 178.935 176.117 0.111 0.000 1.102 142 I CA 1.950 63.291 61.300 0.068 0.000 1.365 142 I CB -0.671 37.374 38.000 0.075 0.000 1.051 142 I HN -0.049 8.161 8.210 0.000 0.000 0.420 143 Y N 1.481 121.806 120.300 0.042 0.000 2.114 143 Y HA -0.163 4.400 4.550 0.023 0.000 0.284 143 Y C 2.418 178.360 175.900 0.071 0.000 1.119 143 Y CA 1.309 59.447 58.100 0.063 0.000 1.108 143 Y CB -0.481 38.024 38.460 0.074 0.000 0.995 143 Y HN -0.057 8.223 8.280 0.000 0.000 0.491 144 I N 0.754 121.349 120.570 0.041 0.000 2.103 144 I HA -0.514 3.669 4.170 0.022 0.000 0.241 144 I C 2.032 178.087 176.117 -0.102 0.000 1.036 144 I CA 2.130 63.408 61.300 -0.036 0.000 1.300 144 I CB -0.718 37.333 38.000 0.084 0.000 1.010 144 I HN 0.357 8.567 8.210 0.000 0.000 0.406 145 N N 0.216 118.885 118.700 -0.052 0.000 2.061 145 N HA -0.224 4.529 4.740 0.022 0.000 0.193 145 N C 1.842 177.299 175.510 -0.089 0.000 1.030 145 N CA 1.227 54.247 53.050 -0.050 0.000 0.856 145 N CB -0.289 38.183 38.487 -0.024 0.000 1.023 145 N HN 0.327 8.707 8.380 0.000 0.000 0.424 146 Q N 0.083 119.811 119.800 -0.120 0.000 2.079 146 Q HA 0.072 4.426 4.340 0.022 0.000 0.200 146 Q C 1.977 177.853 176.000 -0.208 0.000 0.974 146 Q CA 1.262 56.994 55.803 -0.119 0.000 0.840 146 Q CB -0.475 28.220 28.738 -0.073 0.000 0.898 146 Q HN 0.419 8.689 8.270 0.000 0.000 0.430 147 A N 0.987 123.584 122.820 -0.372 0.000 1.972 147 A HA -0.191 4.142 4.320 0.022 0.000 0.219 147 A C 2.119 179.639 177.584 -0.107 0.000 1.169 147 A CA 1.596 53.419 52.037 -0.356 0.000 0.635 147 A CB -0.386 18.313 19.000 -0.502 0.000 0.810 147 A HN 0.247 8.397 8.150 0.000 0.000 0.446 148 K N -0.174 120.212 120.400 -0.023 0.000 1.985 148 K HA -0.187 4.146 4.320 0.022 0.000 0.210 148 K C 1.894 178.471 176.600 -0.038 0.000 1.047 148 K CA 1.727 58.063 56.287 0.081 0.000 0.932 148 K CB -0.276 32.238 32.500 0.022 0.000 0.716 148 K HN 0.589 8.839 8.250 0.000 0.000 0.439 149 E N -0.562 119.548 120.200 -0.151 0.000 2.187 149 E HA -0.198 4.165 4.350 0.022 0.000 0.199 149 E C 1.803 178.065 176.600 -0.562 0.000 1.004 149 E CA 1.029 57.271 56.400 -0.264 0.000 0.813 149 E CB -0.186 29.377 29.700 -0.227 0.000 0.736 149 E HN 0.545 8.905 8.360 0.000 0.000 0.468 150 G N 0.717 109.108 108.800 -0.681 0.000 2.524 150 G HA2 -0.257 3.716 3.960 0.022 0.000 0.215 150 G HA3 -0.257 3.716 3.960 0.022 0.000 0.215 150 G C 1.211 175.847 174.900 -0.439 0.000 1.239 150 G CA 0.700 45.284 45.100 -0.861 0.000 0.798 150 G HN 0.196 8.486 8.290 0.000 0.000 0.557 151 F N 1.918 121.801 119.950 -0.112 0.000 2.154 151 F HA -0.067 4.477 4.527 0.028 0.000 0.301 151 F C 3.120 178.888 175.800 -0.053 0.000 1.087 151 F CA 0.875 58.871 58.000 -0.007 0.000 1.274 151 F CB -0.229 38.840 39.000 0.115 0.000 1.009 151 F HN 0.239 8.539 8.300 0.000 0.000 0.485 152 A N -0.054 122.804 122.820 0.063 0.000 1.972 152 A HA -0.217 4.116 4.320 0.022 0.000 0.219 152 A C 2.310 179.872 177.584 -0.037 0.000 1.169 152 A CA 1.908 53.942 52.037 -0.005 0.000 0.635 152 A CB -1.055 17.916 19.000 -0.048 0.000 0.810 152 A HN 0.423 8.573 8.150 0.000 0.000 0.446 153 S N -0.822 114.824 115.700 -0.089 0.000 2.453 153 S HA 0.056 4.539 4.470 0.022 0.000 0.231 153 S C 0.624 175.220 174.600 -0.006 0.000 1.005 153 S CA 0.548 58.717 58.200 -0.051 0.000 0.949 153 S CB -0.725 62.449 63.200 -0.044 0.000 0.774 153 S HN 0.149 8.459 8.310 0.000 0.000 0.510 154 V N 3.657 123.577 119.914 0.011 0.000 2.470 154 V HA 0.170 4.303 4.120 0.022 0.000 0.276 154 V C 0.303 176.403 176.094 0.010 0.000 1.040 154 V CA -0.496 61.820 62.300 0.026 0.000 1.008 154 V CB 0.666 32.529 31.823 0.067 0.000 0.990 154 V HN 0.390 8.580 8.190 0.000 0.000 0.477 155 D N 4.486 124.881 120.400 -0.007 0.000 2.389 155 D HA 0.006 4.659 4.640 0.022 0.000 0.263 155 D C 1.219 177.473 176.300 -0.077 0.000 1.255 155 D CA 0.119 54.099 54.000 -0.034 0.000 0.914 155 D CB 1.467 42.252 40.800 -0.026 0.000 1.116 155 D HN 0.308 8.678 8.370 0.000 0.000 0.502 156 V N 5.751 125.589 119.914 -0.127 0.000 2.363 156 V HA -0.344 3.789 4.120 0.022 0.000 0.254 156 V C 2.468 178.253 176.094 -0.515 0.000 1.074 156 V CA 1.995 64.125 62.300 -0.283 0.000 1.069 156 V CB -0.651 30.986 31.823 -0.309 0.000 0.659 156 V HN 0.570 8.760 8.190 0.000 0.000 0.455 157 R N -0.009 120.284 120.500 -0.345 0.000 2.103 157 R HA -0.158 4.195 4.340 0.022 0.000 0.242 157 R C 2.330 178.585 176.300 -0.075 0.000 1.142 157 R CA 1.744 57.728 56.100 -0.193 0.000 0.960 157 R CB -0.682 29.601 30.300 -0.029 0.000 0.858 157 R HN 0.425 8.695 8.270 0.000 0.000 0.439 158 L N 0.765 121.954 121.223 -0.056 0.000 2.051 158 L HA -0.265 4.089 4.340 0.022 0.000 0.214 158 L C 2.309 179.194 176.870 0.026 0.000 1.076 158 L CA 1.628 56.467 54.840 -0.001 0.000 0.758 158 L CB -0.400 41.660 42.059 0.002 0.000 0.890 158 L HN 0.289 8.519 8.230 0.000 0.000 0.433 159 E N -1.504 118.697 120.200 0.001 0.000 2.107 159 E HA -0.184 4.179 4.350 0.022 0.000 0.191 159 E C 2.176 178.876 176.600 0.167 0.000 0.982 159 E CA 0.726 57.174 56.400 0.080 0.000 0.809 159 E CB -0.004 29.752 29.700 0.093 0.000 0.756 159 E HN 0.493 8.853 8.360 0.000 0.000 0.459 160 H N 0.193 119.299 119.070 0.060 0.000 2.290 160 H HA -0.117 4.450 4.556 0.018 0.000 0.298 160 H C 2.321 177.675 175.328 0.044 0.000 1.087 160 H CA 1.246 57.323 56.048 0.048 0.000 1.291 160 H CB -0.777 29.006 29.762 0.037 0.000 1.369 160 H HN 0.007 8.287 8.280 0.000 0.000 0.492 161 V N 1.180 121.203 119.914 0.180 0.000 2.282 161 V HA -0.303 3.830 4.120 0.022 0.000 0.249 161 V C 2.761 178.908 176.094 0.089 0.000 1.057 161 V CA 1.893 64.257 62.300 0.106 0.000 1.032 161 V CB -1.258 30.610 31.823 0.075 0.000 0.645 161 V HN 0.552 8.742 8.190 0.000 0.000 0.447 162 A N -0.311 122.564 122.820 0.092 0.000 1.948 162 A HA -0.278 4.055 4.320 0.022 0.000 0.220 162 A C 2.372 180.006 177.584 0.085 0.000 1.177 162 A CA 2.184 54.271 52.037 0.082 0.000 0.636 162 A CB -0.512 18.541 19.000 0.089 0.000 0.815 162 A HN 0.554 8.704 8.150 0.000 0.000 0.449 163 R N -1.571 118.989 120.500 0.101 0.000 2.093 163 R HA -0.033 4.320 4.340 0.022 0.000 0.224 163 R C 2.281 178.618 176.300 0.061 0.000 1.101 163 R CA 1.440 57.591 56.100 0.085 0.000 0.979 163 R CB -0.594 29.763 30.300 0.094 0.000 0.877 163 R HN 0.486 8.756 8.270 0.000 0.000 0.441 164 T N 1.621 116.213 114.554 0.063 0.000 2.699 164 T HA -0.095 4.268 4.350 0.022 0.000 0.268 164 T C 1.314 176.037 174.700 0.039 0.000 1.036 164 T CA 1.067 63.194 62.100 0.045 0.000 1.147 164 T CB -0.073 68.825 68.868 0.050 0.000 0.862 164 T HN 0.146 8.386 8.240 0.000 0.000 0.446 165 L N 1.105 122.354 121.223 0.044 0.000 2.747 165 L HA 0.243 4.597 4.340 0.022 0.000 0.248 165 L C 1.281 178.172 176.870 0.035 0.000 1.191 165 L CA -0.192 54.669 54.840 0.036 0.000 1.003 165 L CB -1.047 41.035 42.059 0.038 0.000 1.235 165 L HN 0.379 8.609 8.230 0.000 0.000 0.426 166 G N 0.388 109.209 108.800 0.036 0.000 2.370 166 G HA2 -0.246 3.727 3.960 0.022 0.000 0.295 166 G HA3 -0.246 3.727 3.960 0.022 0.000 0.295 166 G C -0.057 174.867 174.900 0.039 0.000 1.045 166 G CA 0.308 45.428 45.100 0.033 0.000 1.199 166 G HN 0.328 8.618 8.290 0.000 0.000 0.513 167 S N -0.226 115.504 115.700 0.051 0.000 2.647 167 S HA 0.737 5.220 4.470 0.022 0.000 0.300 167 S C 0.531 175.173 174.600 0.071 0.000 1.129 167 S CA 0.165 58.400 58.200 0.060 0.000 1.029 167 S CB 1.143 64.385 63.200 0.070 0.000 1.007 167 S HN 1.712 10.022 8.310 0.000 0.000 0.484 168 S N 4.698 120.437 115.700 0.065 0.000 2.569 168 S HA 0.203 4.686 4.470 0.022 0.000 0.274 168 S C -1.915 172.747 174.600 0.103 0.000 1.353 168 S CA -0.532 57.710 58.200 0.070 0.000 1.023 168 S CB -0.049 63.183 63.200 0.054 0.000 0.876 168 S HN 0.463 8.773 8.310 0.000 0.000 0.540 169 P HA -0.135 4.285 4.420 0.000 0.000 0.216 169 P C 1.675 179.082 177.300 0.178 0.000 1.153 169 P CA 0.608 63.791 63.100 0.138 0.000 0.858 169 P CB -0.062 31.701 31.700 0.105 0.000 0.789 170 L N -0.418 120.897 121.223 0.153 0.000 2.017 170 L HA -0.143 4.210 4.340 0.022 0.000 0.208 170 L C 2.316 179.382 176.870 0.326 0.000 1.073 170 L CA 1.838 56.815 54.840 0.228 0.000 0.745 170 L CB -1.001 41.130 42.059 0.120 0.000 0.894 170 L HN -0.193 8.037 8.230 0.000 0.000 0.432 171 R N -0.865 119.750 120.500 0.192 0.000 2.088 171 R HA -0.155 4.198 4.340 0.022 0.000 0.232 171 R C 2.124 178.555 176.300 0.219 0.000 1.136 171 R CA 1.999 58.200 56.100 0.169 0.000 0.926 171 R CB -0.977 29.383 30.300 0.099 0.000 0.837 171 R HN 0.334 8.604 8.270 0.000 0.000 0.429 172 V N 1.279 121.306 119.914 0.188 0.000 2.250 172 V HA -0.339 3.795 4.120 0.022 0.000 0.253 172 V C 2.091 178.290 176.094 0.175 0.000 1.065 172 V CA 2.280 64.684 62.300 0.172 0.000 1.039 172 V CB -0.757 31.177 31.823 0.185 0.000 0.647 172 V HN 0.253 8.443 8.190 0.000 0.000 0.446 173 F N 0.593 120.572 119.950 0.049 0.000 2.043 173 F HA -0.251 4.290 4.527 0.023 0.000 0.297 173 F C 2.010 177.724 175.800 -0.143 0.000 1.118 173 F CA 2.044 59.956 58.000 -0.147 0.000 1.202 173 F CB -0.546 38.282 39.000 -0.285 0.000 0.965 173 F HN 0.156 8.456 8.300 0.000 0.000 0.482 174 F N -0.354 119.555 119.950 -0.069 0.000 2.558 174 F HA -0.028 4.512 4.527 0.022 0.000 0.298 174 F C 2.321 178.062 175.800 -0.098 0.000 1.119 174 F CA 1.374 59.296 58.000 -0.130 0.000 1.451 174 F CB -0.962 38.041 39.000 0.006 0.000 1.091 174 F HN -0.021 8.279 8.300 0.000 0.000 0.563 175 T N -3.508 111.115 114.554 0.114 0.000 3.023 175 T HA 0.157 4.520 4.350 0.022 0.000 0.249 175 T C 1.634 176.345 174.700 0.020 0.000 1.050 175 T CA 0.639 62.777 62.100 0.064 0.000 1.088 175 T CB -0.193 68.721 68.868 0.078 0.000 0.946 175 T HN 0.041 8.281 8.240 0.000 0.000 0.480 176 V N 0.859 120.780 119.914 0.011 0.000 2.939 176 V HA 0.065 4.198 4.120 0.022 0.000 0.228 176 V C 2.556 178.638 176.094 -0.021 0.000 1.162 176 V CA 0.785 63.091 62.300 0.011 0.000 1.222 176 V CB -0.518 31.335 31.823 0.049 0.000 1.053 176 V HN 0.308 8.498 8.190 0.000 0.000 0.504 177 S N 0.995 116.683 115.700 -0.020 0.000 2.444 177 S HA -0.242 4.241 4.470 0.022 0.000 0.225 177 S C 1.875 176.400 174.600 -0.126 0.000 1.042 177 S CA 2.095 60.300 58.200 0.009 0.000 1.132 177 S CB -0.604 62.599 63.200 0.005 0.000 1.099 177 S HN 0.271 8.581 8.310 0.000 0.000 0.417 178 L N 3.061 124.043 121.223 -0.401 0.000 1.965 178 L HA -0.127 4.227 4.340 0.022 0.000 0.226 178 L C -0.649 176.075 176.870 -0.243 0.000 1.083 178 L CA 2.214 56.803 54.840 -0.418 0.000 0.790 178 L CB -1.882 39.792 42.059 -0.641 0.000 0.898 178 L HN 0.254 8.484 8.230 0.000 0.000 0.439 179 P HA -0.222 4.198 4.420 0.000 0.000 0.217 179 P C 2.075 179.322 177.300 -0.088 0.000 1.148 179 P CA 1.762 64.803 63.100 -0.099 0.000 0.834 179 P CB -0.015 31.651 31.700 -0.058 0.000 0.783 180 L N -0.269 120.902 121.223 -0.087 0.000 2.270 180 L HA -0.026 4.328 4.340 0.022 0.000 0.210 180 L C 2.185 179.015 176.870 -0.066 0.000 1.104 180 L CA 1.582 56.387 54.840 -0.058 0.000 0.804 180 L CB -0.537 41.505 42.059 -0.028 0.000 0.937 180 L HN 0.078 8.308 8.230 0.000 0.000 0.450 181 S N -2.222 113.392 115.700 -0.144 0.000 2.557 181 S HA 0.068 4.552 4.470 0.022 0.000 0.223 181 S C 1.629 176.137 174.600 -0.153 0.000 0.969 181 S CA -0.318 57.788 58.200 -0.156 0.000 0.927 181 S CB 0.150 63.042 63.200 -0.512 0.000 0.806 181 S HN 0.037 8.347 8.310 0.000 0.000 0.489 182 V N 2.541 122.370 119.914 -0.142 0.000 2.252 182 V HA -0.221 3.912 4.120 0.022 0.000 0.249 182 V C 2.706 178.739 176.094 -0.102 0.000 1.056 182 V CA 2.144 64.376 62.300 -0.113 0.000 1.022 182 V CB -0.669 31.101 31.823 -0.089 0.000 0.641 182 V HN 0.515 8.705 8.190 0.000 0.000 0.445 183 R N -1.574 118.844 120.500 -0.138 0.000 2.377 183 R HA -0.128 4.226 4.340 0.022 0.000 0.207 183 R C 1.956 178.090 176.300 -0.277 0.000 1.075 183 R CA 0.767 56.749 56.100 -0.197 0.000 1.035 183 R CB -0.119 30.038 30.300 -0.238 0.000 0.857 183 R HN 0.676 8.946 8.270 0.000 0.000 0.475 184 H N -1.289 117.708 119.070 -0.122 0.000 2.545 184 H HA 0.086 4.656 4.556 0.025 0.000 0.283 184 H C 1.986 177.239 175.328 -0.124 0.000 0.997 184 H CA 0.598 56.566 56.048 -0.132 0.000 1.269 184 H CB 0.333 29.976 29.762 -0.198 0.000 1.451 184 H HN 0.134 8.414 8.280 0.000 0.000 0.508 185 I N 0.517 121.081 120.570 -0.010 0.000 2.179 185 I HA -0.225 3.958 4.170 0.022 0.000 0.242 185 I C 2.465 178.676 176.117 0.156 0.000 1.088 185 I CA 0.866 62.198 61.300 0.053 0.000 1.357 185 I CB -0.177 37.842 38.000 0.032 0.000 1.051 185 I HN -0.014 8.196 8.210 0.000 0.000 0.409 186 V N 1.105 121.052 119.914 0.055 0.000 2.261 186 V HA -0.315 3.818 4.120 0.022 0.000 0.246 186 V C 2.741 178.871 176.094 0.061 0.000 1.047 186 V CA 2.147 64.470 62.300 0.039 0.000 1.015 186 V CB -0.864 30.947 31.823 -0.020 0.000 0.642 186 V HN 0.499 8.689 8.190 0.000 0.000 0.446 187 A N 0.220 123.061 122.820 0.036 0.000 1.883 187 A HA -0.138 4.195 4.320 0.022 0.000 0.217 187 A C 2.437 180.093 177.584 0.120 0.000 1.186 187 A CA 2.101 54.171 52.037 0.055 0.000 0.624 187 A CB -1.415 17.595 19.000 0.016 0.000 0.822 187 A HN 0.552 8.702 8.150 0.000 0.000 0.444 188 G N -0.503 108.376 108.800 0.131 0.000 2.469 188 G HA2 -0.076 3.897 3.960 0.022 0.000 0.219 188 G HA3 -0.076 3.897 3.960 0.022 0.000 0.219 188 G C 1.763 176.918 174.900 0.426 0.000 1.150 188 G CA 1.831 47.050 45.100 0.197 0.000 0.763 188 G HN 0.852 9.142 8.290 0.000 0.000 0.561 189 A N 0.906 123.982 122.820 0.427 0.000 1.845 189 A HA 0.017 4.351 4.320 0.022 0.000 0.215 189 A C 2.417 180.121 177.584 0.201 0.000 1.195 189 A CA 1.413 53.596 52.037 0.244 0.000 0.616 189 A CB -0.492 18.567 19.000 0.099 0.000 0.832 189 A HN 0.353 8.503 8.150 0.000 0.000 0.443 190 I N -0.485 120.179 120.570 0.156 0.000 2.185 190 I HA -0.380 3.803 4.170 0.022 0.000 0.246 190 I C 2.707 179.023 176.117 0.333 0.000 1.088 190 I CA 1.996 63.412 61.300 0.194 0.000 1.347 190 I CB -0.377 37.706 38.000 0.138 0.000 1.041 190 I HN 0.418 8.628 8.210 0.000 0.000 0.415 191 M N -0.085 119.668 119.600 0.255 0.000 2.175 191 M HA -0.163 4.330 4.480 0.022 0.000 0.264 191 M C 2.525 178.947 176.300 0.203 0.000 1.063 191 M CA 2.032 57.460 55.300 0.213 0.000 1.119 191 M CB -0.525 32.164 32.600 0.149 0.000 1.377 191 M HN 0.337 8.627 8.290 0.000 0.000 0.415 192 S N -0.434 115.404 115.700 0.229 0.000 2.428 192 S HA -0.166 4.318 4.470 0.022 0.000 0.230 192 S C 1.625 176.337 174.600 0.186 0.000 1.014 192 S CA 0.417 58.727 58.200 0.183 0.000 0.957 192 S CB -0.627 62.686 63.200 0.187 0.000 0.784 192 S HN 0.680 8.990 8.310 0.000 0.000 0.499 193 W N 2.373 123.703 121.300 0.050 0.000 2.407 193 W HA 0.224 4.897 4.660 0.021 0.000 0.305 193 W C 2.591 179.147 176.519 0.063 0.000 1.196 193 W CA 1.166 58.527 57.345 0.027 0.000 1.311 193 W CB -0.693 28.768 29.460 0.003 0.000 1.135 193 W HN 0.346 8.526 8.180 0.000 0.000 0.514 194 A N 0.409 123.399 122.820 0.283 0.000 2.024 194 A HA -0.211 4.123 4.320 0.022 0.000 0.220 194 A C 1.922 179.448 177.584 -0.096 0.000 1.164 194 A CA 2.075 54.159 52.037 0.078 0.000 0.643 194 A CB -0.724 18.298 19.000 0.038 0.000 0.806 194 A HN 0.295 8.445 8.150 0.000 0.000 0.451 195 R N -0.119 120.357 120.500 -0.041 0.000 2.057 195 R HA 0.011 4.365 4.340 0.022 0.000 0.229 195 R C 2.239 178.472 176.300 -0.111 0.000 1.136 195 R CA 1.894 57.956 56.100 -0.064 0.000 0.952 195 R CB -1.412 28.881 30.300 -0.012 0.000 0.848 195 R HN 0.342 8.612 8.270 0.000 0.000 0.430 196 G N 0.928 109.654 108.800 -0.123 0.000 2.459 196 G HA2 -0.263 3.710 3.960 0.022 0.000 0.217 196 G HA3 -0.263 3.710 3.960 0.022 0.000 0.217 196 G C 1.642 176.419 174.900 -0.204 0.000 1.183 196 G CA 1.071 46.082 45.100 -0.149 0.000 0.776 196 G HN 0.348 8.638 8.290 0.000 0.000 0.552 197 I N 0.966 121.329 120.570 -0.344 0.000 2.145 197 I HA -0.232 3.951 4.170 0.022 0.000 0.244 197 I C 2.761 178.774 176.117 -0.173 0.000 1.075 197 I CA 1.564 62.667 61.300 -0.328 0.000 1.332 197 I CB -0.086 37.580 38.000 -0.558 0.000 1.033 197 I HN 0.128 8.338 8.210 0.000 0.000 0.410 198 S N -0.533 115.066 115.700 -0.168 0.000 2.522 198 S HA -0.063 4.420 4.470 0.022 0.000 0.227 198 S C 0.667 175.195 174.600 -0.120 0.000 0.986 198 S CA 0.077 58.199 58.200 -0.131 0.000 0.929 198 S CB -0.286 62.834 63.200 -0.135 0.000 0.769 198 S HN 0.323 8.633 8.310 0.000 0.000 0.529 199 E N 0.450 120.575 120.200 -0.125 0.000 2.392 199 E HA 0.186 4.549 4.350 0.022 0.000 0.264 199 E C 0.108 176.695 176.600 -0.023 0.000 1.024 199 E CA 0.002 56.322 56.400 -0.133 0.000 0.903 199 E CB 0.239 29.860 29.700 -0.132 0.000 0.963 199 E HN 0.131 8.491 8.360 0.000 0.000 0.432 200 F N 3.088 122.895 119.950 -0.238 0.000 1.941 200 F HA 0.392 4.932 4.527 0.022 0.000 0.230 200 F C 1.630 177.323 175.800 -0.177 0.000 1.181 200 F CA 1.092 58.970 58.000 -0.205 0.000 1.294 200 F CB -0.423 38.449 39.000 -0.214 0.000 1.748 200 F HN 0.565 8.865 8.300 0.000 0.000 0.419 201 G N 1.312 109.871 108.800 -0.402 0.000 2.719 201 G HA2 -0.387 3.586 3.960 0.022 0.000 0.219 201 G HA3 -0.387 3.586 3.960 0.022 0.000 0.219 201 G C 1.769 176.507 174.900 -0.270 0.000 1.234 201 G CA 2.129 46.988 45.100 -0.402 0.000 0.788 201 G HN 0.755 9.045 8.290 0.000 0.000 0.619 202 A N -0.441 122.297 122.820 -0.138 0.000 1.927 202 A HA -0.031 4.302 4.320 0.022 0.000 0.220 202 A C 2.670 180.163 177.584 -0.152 0.000 1.185 202 A CA 2.584 54.552 52.037 -0.114 0.000 0.639 202 A CB -0.766 18.201 19.000 -0.056 0.000 0.820 202 A HN 0.417 8.567 8.150 0.000 0.000 0.451 203 V N 0.239 120.052 119.914 -0.168 0.000 2.221 203 V HA -0.258 3.875 4.120 0.022 0.000 0.242 203 V C 2.695 178.681 176.094 -0.180 0.000 1.041 203 V CA 1.978 64.189 62.300 -0.147 0.000 0.995 203 V CB -1.438 30.318 31.823 -0.113 0.000 0.635 203 V HN 0.657 8.847 8.190 0.000 0.000 0.448 204 V N 0.834 120.564 119.914 -0.307 0.000 2.280 204 V HA -0.284 3.849 4.120 0.022 0.000 0.258 204 V C 2.430 178.431 176.094 -0.156 0.000 1.081 204 V CA 2.740 64.838 62.300 -0.336 0.000 1.070 204 V CB -1.656 29.793 31.823 -0.622 0.000 0.666 204 V HN 0.512 8.702 8.190 0.000 0.000 0.450 205 V N -0.684 119.136 119.914 -0.157 0.000 3.241 205 V HA 0.011 4.144 4.120 0.022 0.000 0.269 205 V C 1.924 178.002 176.094 -0.026 0.000 1.151 205 V CA 2.134 64.393 62.300 -0.068 0.000 1.158 205 V CB -0.711 31.062 31.823 -0.082 0.000 0.764 205 V HN 0.609 8.799 8.190 0.000 0.000 0.508 206 I N 0.601 121.150 120.570 -0.034 0.000 3.445 206 I HA 0.525 4.708 4.170 0.022 0.000 0.288 206 I C 1.096 177.240 176.117 0.046 0.000 1.198 206 I CA 0.727 62.030 61.300 0.005 0.000 1.417 206 I CB 0.189 38.173 38.000 -0.025 0.000 1.205 206 I HN 0.335 8.545 8.210 0.000 0.000 0.448 207 A N -0.467 122.373 122.820 0.032 0.000 2.768 207 A HA 0.288 4.621 4.320 0.022 0.000 0.298 207 A C -0.198 177.427 177.584 0.069 0.000 1.159 207 A CA -0.500 51.582 52.037 0.076 0.000 0.783 207 A CB -0.256 18.786 19.000 0.070 0.000 1.333 207 A HN 0.339 8.489 8.150 0.000 0.000 0.412 208 Y N 1.303 121.598 120.300 -0.008 0.000 2.200 208 Y HA -0.200 4.363 4.550 0.022 0.000 0.290 208 Y C 1.725 177.543 175.900 -0.137 0.000 1.137 208 Y CA 2.498 60.567 58.100 -0.053 0.000 1.163 208 Y CB -0.018 38.425 38.460 -0.029 0.000 0.988 208 Y HN 0.773 9.053 8.280 0.000 0.000 0.518 209 Y N 1.000 121.497 120.300 0.328 0.000 2.231 209 Y HA 0.081 4.644 4.550 0.022 0.000 0.294 209 Y C -1.509 174.483 175.900 0.152 0.000 1.120 209 Y CA 0.023 58.274 58.100 0.252 0.000 1.141 209 Y CB -0.855 37.694 38.460 0.149 0.000 1.022 209 Y HN -0.004 8.276 8.280 0.000 0.000 0.523 210 P HA -0.022 4.398 4.420 0.000 0.000 0.264 210 P C -0.768 176.597 177.300 0.109 0.000 1.537 210 P CA 0.473 63.697 63.100 0.208 0.000 1.189 210 P CB -0.786 31.007 31.700 0.155 0.000 1.687 211 M N 2.628 122.271 119.600 0.071 0.000 2.288 211 M HA 0.500 4.993 4.480 0.022 0.000 0.334 211 M C -0.744 175.554 176.300 -0.004 0.000 1.150 211 M CA -0.320 54.959 55.300 -0.034 0.000 1.118 211 M CB 1.108 33.597 32.600 -0.185 0.000 1.501 211 M HN -0.060 8.230 8.290 0.000 0.000 0.462 212 I N 2.358 122.910 120.570 -0.029 0.000 2.460 212 I HA 0.351 4.534 4.170 0.022 0.000 0.298 212 I C 1.286 177.378 176.117 -0.042 0.000 0.989 212 I CA -0.666 60.625 61.300 -0.016 0.000 1.173 212 I CB 2.157 40.154 38.000 -0.003 0.000 1.338 212 I HN 1.111 9.321 8.210 0.000 0.000 0.456 213 A N 7.068 129.856 122.820 -0.053 0.000 1.985 213 A HA -0.162 4.172 4.320 0.022 0.000 0.223 213 A C -0.690 176.827 177.584 -0.112 0.000 1.189 213 A CA 2.101 54.084 52.037 -0.089 0.000 0.658 213 A CB -1.718 17.229 19.000 -0.088 0.000 0.820 213 A HN 0.640 8.790 8.150 0.000 0.000 0.464 214 P HA -0.064 4.356 4.420 0.000 0.000 0.217 214 P C 1.538 178.642 177.300 -0.326 0.000 1.151 214 P CA 1.728 64.699 63.100 -0.214 0.000 0.828 214 P CB -0.164 31.465 31.700 -0.118 0.000 0.788 215 T N 0.126 114.621 114.554 -0.098 0.000 2.668 215 T HA -0.133 4.230 4.350 0.022 0.000 0.262 215 T C 1.734 176.404 174.700 -0.050 0.000 1.045 215 T CA 0.951 63.046 62.100 -0.007 0.000 1.152 215 T CB -1.158 67.659 68.868 -0.085 0.000 0.864 215 T HN 0.010 8.250 8.240 0.000 0.000 0.419 216 L N 0.963 122.144 121.223 -0.070 0.000 2.089 216 L HA -0.131 4.222 4.340 0.022 0.000 0.213 216 L C 2.121 178.964 176.870 -0.044 0.000 1.079 216 L CA 1.630 56.442 54.840 -0.048 0.000 0.758 216 L CB -0.491 41.528 42.059 -0.067 0.000 0.891 216 L HN 0.303 8.534 8.230 0.000 0.000 0.433 217 I N -2.179 118.342 120.570 -0.082 0.000 2.233 217 I HA -0.273 3.911 4.170 0.022 0.000 0.243 217 I C 2.352 178.471 176.117 0.003 0.000 1.093 217 I CA 1.221 62.480 61.300 -0.069 0.000 1.380 217 I CB -0.673 37.249 38.000 -0.130 0.000 1.067 217 I HN 0.301 8.511 8.210 0.000 0.000 0.413 218 Y N 2.020 122.198 120.300 -0.202 0.000 2.165 218 Y HA -0.294 4.269 4.550 0.023 0.000 0.286 218 Y C 2.585 178.533 175.900 0.079 0.000 1.155 218 Y CA 1.943 59.978 58.100 -0.109 0.000 1.164 218 Y CB -0.486 37.800 38.460 -0.289 0.000 0.978 218 Y HN 0.204 8.484 8.280 0.000 0.000 0.513 219 E N -0.205 120.011 120.200 0.027 0.000 2.023 219 E HA -0.259 4.104 4.350 0.022 0.000 0.196 219 E C 2.393 178.972 176.600 -0.035 0.000 1.003 219 E CA 1.629 58.030 56.400 0.001 0.000 0.809 219 E CB -0.174 29.588 29.700 0.104 0.000 0.755 219 E HN 0.425 8.785 8.360 0.000 0.000 0.449 220 R N -0.633 119.868 120.500 0.001 0.000 2.127 220 R HA -0.194 4.160 4.340 0.022 0.000 0.238 220 R C 2.439 178.744 176.300 0.009 0.000 1.134 220 R CA 1.457 57.557 56.100 -0.001 0.000 0.975 220 R CB -0.554 29.748 30.300 0.004 0.000 0.865 220 R HN 0.380 8.650 8.270 0.000 0.000 0.447 221 Y N 1.689 121.927 120.300 -0.104 0.000 2.128 221 Y HA -0.194 4.369 4.550 0.022 0.000 0.284 221 Y C 1.888 177.712 175.900 -0.128 0.000 1.154 221 Y CA 1.473 59.515 58.100 -0.097 0.000 1.149 221 Y CB -0.338 38.080 38.460 -0.070 0.000 0.976 221 Y HN -0.069 8.211 8.280 0.000 0.000 0.505 222 L N -1.240 119.782 121.223 -0.335 0.000 2.072 222 L HA -0.156 4.198 4.340 0.022 0.000 0.205 222 L C 2.502 179.220 176.870 -0.253 0.000 1.079 222 L CA 1.300 55.897 54.840 -0.406 0.000 0.752 222 L CB -0.745 41.081 42.059 -0.388 0.000 0.906 222 L HN 0.093 8.323 8.230 0.000 0.000 0.436 223 S N -0.165 115.438 115.700 -0.161 0.000 2.355 223 S HA -0.149 4.334 4.470 0.022 0.000 0.222 223 S C 1.562 176.107 174.600 -0.092 0.000 1.031 223 S CA 1.388 59.529 58.200 -0.100 0.000 0.993 223 S CB -0.087 63.081 63.200 -0.053 0.000 0.859 223 S HN 0.476 8.786 8.310 0.000 0.000 0.453 224 E N -0.149 119.999 120.200 -0.087 0.000 2.562 224 E HA 0.413 4.777 4.350 0.022 0.000 0.214 224 E C 0.685 177.238 176.600 -0.077 0.000 0.979 224 E CA 0.107 56.467 56.400 -0.066 0.000 1.002 224 E CB 0.995 30.674 29.700 -0.034 0.000 1.048 224 E HN 0.424 8.784 8.360 0.000 0.000 0.488 225 G N 1.267 109.985 108.800 -0.136 0.000 2.631 225 G HA2 -0.242 3.731 3.960 0.022 0.000 0.504 225 G HA3 -0.242 3.731 3.960 0.022 0.000 0.504 225 G C 0.125 175.025 174.900 0.000 0.000 1.306 225 G CA -0.302 44.711 45.100 -0.144 0.000 0.897 225 G HN 0.074 8.364 8.290 0.000 0.000 0.520 226 L N 0.656 121.930 121.223 0.085 0.000 1.961 226 L HA 0.065 4.418 4.340 0.022 0.000 0.210 226 L C 2.899 179.832 176.870 0.106 0.000 1.072 226 L CA 3.372 58.339 54.840 0.213 0.000 0.749 226 L CB -1.139 41.032 42.059 0.186 0.000 0.889 226 L HN 0.961 9.191 8.230 0.000 0.000 0.432 227 S N -0.162 115.573 115.700 0.059 0.000 2.488 227 S HA -0.141 4.343 4.470 0.022 0.000 0.246 227 S C 1.774 176.394 174.600 0.033 0.000 0.992 227 S CA 0.967 59.190 58.200 0.038 0.000 0.963 227 S CB -0.625 62.593 63.200 0.030 0.000 0.754 227 S HN 0.682 8.992 8.310 0.000 0.000 0.519 228 A N -0.151 122.689 122.820 0.033 0.000 2.238 228 A HA 0.639 4.972 4.320 0.022 0.000 0.210 228 A C 1.898 179.493 177.584 0.019 0.000 1.179 228 A CA 0.715 52.762 52.037 0.018 0.000 0.827 228 A CB -0.151 18.851 19.000 0.004 0.000 0.856 228 A HN 0.458 8.608 8.150 0.000 0.000 0.488 229 A N -0.866 121.979 122.820 0.042 0.000 2.055 229 A HA 0.271 4.604 4.320 0.022 0.000 0.205 229 A C 1.947 179.532 177.584 0.002 0.000 1.235 229 A CA 0.695 52.749 52.037 0.028 0.000 0.822 229 A CB -0.396 18.652 19.000 0.079 0.000 0.903 229 A HN 0.354 8.504 8.150 0.000 0.000 0.473 230 M N 0.172 119.780 119.600 0.013 0.000 2.113 230 M HA -0.194 4.299 4.480 0.022 0.000 0.255 230 M C -0.529 175.783 176.300 0.021 0.000 1.073 230 M CA 2.463 57.764 55.300 0.002 0.000 1.091 230 M CB -1.738 30.866 32.600 0.006 0.000 1.309 230 M HN 0.164 8.454 8.290 0.000 0.000 0.407 231 P HA -0.148 4.272 4.420 0.000 0.000 0.214 231 P C 1.663 178.974 177.300 0.019 0.000 1.169 231 P CA 1.439 64.587 63.100 0.081 0.000 0.908 231 P CB -0.163 31.552 31.700 0.026 0.000 0.791 232 V N -0.234 119.646 119.914 -0.056 0.000 2.392 232 V HA -0.280 3.853 4.120 0.022 0.000 0.249 232 V C 2.399 178.443 176.094 -0.082 0.000 1.059 232 V CA 2.118 64.350 62.300 -0.113 0.000 1.051 232 V CB -1.858 29.890 31.823 -0.125 0.000 0.658 232 V HN 0.119 8.309 8.190 0.000 0.000 0.455 233 A N 0.545 123.335 122.820 -0.051 0.000 1.834 233 A HA -0.181 4.153 4.320 0.022 0.000 0.216 233 A C 2.517 180.093 177.584 -0.013 0.000 1.203 233 A CA 2.495 54.501 52.037 -0.052 0.000 0.621 233 A CB -1.235 17.729 19.000 -0.060 0.000 0.841 233 A HN 0.606 8.756 8.150 0.000 0.000 0.446 234 A N -0.260 122.578 122.820 0.030 0.000 1.927 234 A HA -0.206 4.127 4.320 0.022 0.000 0.220 234 A C 2.151 179.827 177.584 0.155 0.000 1.185 234 A CA 1.889 53.975 52.037 0.081 0.000 0.639 234 A CB -0.799 18.265 19.000 0.107 0.000 0.820 234 A HN 0.559 8.709 8.150 0.000 0.000 0.451 235 I N -0.598 120.064 120.570 0.153 0.000 2.179 235 I HA -0.272 3.911 4.170 0.022 0.000 0.242 235 I C 2.445 178.580 176.117 0.032 0.000 1.088 235 I CA 1.284 62.633 61.300 0.083 0.000 1.357 235 I CB -0.364 37.540 38.000 -0.160 0.000 1.051 235 I HN 0.319 8.529 8.210 0.000 0.000 0.409 236 L N 0.320 121.529 121.223 -0.024 0.000 2.046 236 L HA -0.225 4.128 4.340 0.022 0.000 0.208 236 L C 2.516 179.420 176.870 0.057 0.000 1.077 236 L CA 1.431 56.267 54.840 -0.006 0.000 0.747 236 L CB -0.425 41.605 42.059 -0.050 0.000 0.896 236 L HN 0.249 8.479 8.230 0.000 0.000 0.432 237 I N -0.060 120.534 120.570 0.040 0.000 2.058 237 I HA -0.369 3.815 4.170 0.022 0.000 0.235 237 I C 2.510 178.684 176.117 0.096 0.000 1.053 237 I CA 1.576 62.903 61.300 0.044 0.000 1.313 237 I CB -0.456 37.553 38.000 0.015 0.000 1.039 237 I HN 0.192 8.402 8.210 0.000 0.000 0.396 238 L N 0.328 121.618 121.223 0.112 0.000 2.021 238 L HA -0.301 4.052 4.340 0.022 0.000 0.215 238 L C 2.653 179.636 176.870 0.187 0.000 1.074 238 L CA 1.439 56.366 54.840 0.146 0.000 0.760 238 L CB -0.757 41.410 42.059 0.181 0.000 0.889 238 L HN 0.371 8.601 8.230 0.000 0.000 0.433 239 L N -0.815 120.527 121.223 0.199 0.000 2.129 239 L HA -0.270 4.083 4.340 0.022 0.000 0.212 239 L C 2.583 179.648 176.870 0.324 0.000 1.087 239 L CA 1.380 56.375 54.840 0.257 0.000 0.757 239 L CB -0.036 42.152 42.059 0.215 0.000 0.896 239 L HN 0.276 8.506 8.230 0.000 0.000 0.434 240 S N -0.540 115.339 115.700 0.298 0.000 2.371 240 S HA -0.032 4.451 4.470 0.022 0.000 0.221 240 S C 1.813 176.658 174.600 0.408 0.000 1.036 240 S CA 0.562 59.003 58.200 0.403 0.000 0.965 240 S CB -0.111 63.251 63.200 0.270 0.000 0.845 240 S HN 0.322 8.632 8.310 0.000 0.000 0.475 241 L N 1.500 122.870 121.223 0.244 0.000 2.034 241 L HA -0.278 4.075 4.340 0.022 0.000 0.217 241 L C 2.775 179.775 176.870 0.217 0.000 1.077 241 L CA 1.567 56.527 54.840 0.200 0.000 0.769 241 L CB -0.956 41.179 42.059 0.126 0.000 0.890 241 L HN 0.334 8.564 8.230 0.000 0.000 0.435 242 A N -0.041 122.899 122.820 0.199 0.000 1.841 242 A HA -0.185 4.149 4.320 0.022 0.000 0.216 242 A C 2.283 179.950 177.584 0.138 0.000 1.199 242 A CA 2.093 54.226 52.037 0.159 0.000 0.621 242 A CB -1.078 18.019 19.000 0.163 0.000 0.835 242 A HN 0.181 8.331 8.150 0.000 0.000 0.445 243 V N -1.226 118.781 119.914 0.156 0.000 2.370 243 V HA -0.303 3.830 4.120 0.022 0.000 0.252 243 V C 2.315 178.273 176.094 -0.227 0.000 1.068 243 V CA 2.379 64.671 62.300 -0.013 0.000 1.061 243 V CB -0.989 30.841 31.823 0.012 0.000 0.656 243 V HN 0.549 8.739 8.190 0.000 0.000 0.455 244 F N -1.156 118.856 119.950 0.104 0.000 2.220 244 F HA 0.030 4.570 4.527 0.022 0.000 0.290 244 F C 2.249 178.077 175.800 0.047 0.000 1.080 244 F CA 0.939 58.984 58.000 0.075 0.000 1.318 244 F CB -0.716 38.333 39.000 0.080 0.000 1.063 244 F HN -0.145 8.155 8.300 0.000 0.000 0.498 245 V N 0.247 120.283 119.914 0.204 0.000 2.469 245 V HA -0.325 3.808 4.120 0.022 0.000 0.251 245 V C 2.512 178.644 176.094 0.063 0.000 1.064 245 V CA 1.733 64.104 62.300 0.119 0.000 1.066 245 V CB -1.227 30.657 31.823 0.101 0.000 0.667 245 V HN 0.356 8.546 8.190 0.000 0.000 0.461 246 A N -0.173 122.672 122.820 0.041 0.000 1.845 246 A HA -0.193 4.141 4.320 0.022 0.000 0.215 246 A C 2.196 179.763 177.584 -0.028 0.000 1.195 246 A CA 1.942 53.979 52.037 0.000 0.000 0.616 246 A CB -0.626 18.364 19.000 -0.017 0.000 0.832 246 A HN 0.477 8.627 8.150 0.000 0.000 0.443 247 L N -1.194 119.988 121.223 -0.068 0.000 2.079 247 L HA -0.223 4.130 4.340 0.022 0.000 0.210 247 L C 2.920 179.774 176.870 -0.027 0.000 1.081 247 L CA 1.518 56.307 54.840 -0.086 0.000 0.752 247 L CB -0.439 41.526 42.059 -0.156 0.000 0.896 247 L HN 0.391 8.621 8.230 0.000 0.000 0.433 248 R N -0.034 120.477 120.500 0.018 0.000 2.075 248 R HA -0.078 4.276 4.340 0.022 0.000 0.232 248 R C 2.172 178.476 176.300 0.008 0.000 1.126 248 R CA 1.183 57.299 56.100 0.027 0.000 0.963 248 R CB -0.192 30.141 30.300 0.054 0.000 0.858 248 R HN 0.349 8.619 8.270 0.000 0.000 0.435 249 I N 0.793 121.368 120.570 0.008 0.000 3.001 249 I HA -0.154 4.029 4.170 0.022 0.000 0.268 249 I C 1.063 177.173 176.117 -0.011 0.000 1.267 249 I CA 0.992 62.292 61.300 0.001 0.000 1.472 249 I CB 0.139 38.143 38.000 0.007 0.000 1.089 249 I HN 0.138 8.348 8.210 0.000 0.000 0.468 250 I N -0.412 120.145 120.570 -0.021 0.000 3.856 250 I HA 0.073 4.256 4.170 0.022 0.000 0.333 250 I C 0.733 176.828 176.117 -0.036 0.000 1.525 250 I CA 0.106 61.387 61.300 -0.032 0.000 1.173 250 I CB 0.447 38.419 38.000 -0.047 0.000 1.175 250 I HN -0.072 8.138 8.210 0.000 0.000 0.424 251 V N -0.461 119.436 119.914 -0.029 0.000 3.487 251 V HA 0.320 4.453 4.120 0.022 0.000 0.263 251 V C 0.689 176.766 176.094 -0.030 0.000 1.722 251 V CA 0.142 62.421 62.300 -0.034 0.000 1.066 251 V CB 0.925 32.727 31.823 -0.036 0.000 0.905 251 V HN 0.411 8.601 8.190 0.000 0.000 0.387 252 G N 0.000 108.788 108.800 -0.020 0.000 5.446 252 G HA2 0.000 3.973 3.960 0.022 0.000 0.244 252 G HA3 0.000 3.973 3.960 0.022 0.000 0.244 252 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 252 G HN 0.000 8.290 8.290 0.000 0.000 0.925