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 2bo0_1_A DATA FIRST_RESID 2 DATA SEQUENCE DADKLPHTKV TLVAPPQVHP HEQATKSGPK VVEFTMTIEE KKMVIDDKGT DATA SEQUENCE TLQAMTFNGS MPGPTLVVHE GDYVQLTLVN PATNAMPHNV DFHGATGALG DATA SEQUENCE GAKLTNVNPG EQATLRFKAD RSGTFVYHAA PEGMVPWHVV SGMSGTLMVL DATA SEQUENCE PRDGLKDPQG KPLHYDRAYT IGEFDLYIPK GPDGKYKDYA TLAESYGDTV DATA SEQUENCE QVMRTLTPSH IVFNGKVGAL TGANALTAKV GETVLLIHSQ ANRDTRPHLI DATA SEQUENCE GGHGDWVWET GKFANPPQRD LETWFIRGGS AGAALYTFKQ PGVYAYLNHN DATA SEQUENCE LIEAFELGAA GHIKVEGKWN DDLMKQIKAP APIPR 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 D HA 0.000 4.607 4.640 -0.056 0.000 0.175 2 D C 0.000 176.186 176.300 -0.190 0.000 2.045 2 D CA 0.000 53.959 54.000 -0.069 0.000 0.868 2 D CB 0.000 40.769 40.800 -0.052 0.000 0.688 3 A N 5.723 128.285 122.820 -0.429 0.000 2.024 3 A HA -0.289 3.582 4.320 -0.747 0.000 0.220 3 A C 1.167 178.529 177.584 -0.370 0.000 1.164 3 A CA 2.470 54.071 52.037 -0.727 0.000 0.643 3 A CB -0.082 18.120 19.000 -1.331 0.000 0.806 3 A HN 0.587 8.488 8.150 -0.416 0.000 0.451 4 D N -3.039 117.227 120.400 -0.223 0.000 2.378 4 D HA -0.052 4.537 4.640 -0.086 0.000 0.227 4 D C 1.131 177.394 176.300 -0.061 0.000 1.012 4 D CA 1.827 55.763 54.000 -0.106 0.000 0.905 4 D CB -0.021 40.737 40.800 -0.069 0.000 0.895 4 D HN -0.145 8.380 8.370 -0.216 -0.284 0.532 5 K N -2.641 117.710 120.400 -0.081 0.000 2.387 5 K HA 0.075 4.379 4.320 -0.026 0.000 0.203 5 K C -0.629 175.949 176.600 -0.037 0.000 1.030 5 K CA -0.088 56.173 56.287 -0.043 0.000 1.099 5 K CB 1.005 33.483 32.500 -0.037 0.000 0.863 5 K HN -0.275 7.714 8.250 -0.118 0.190 0.529 6 L N 0.405 121.588 121.223 -0.067 0.000 2.375 6 L HA 0.279 4.599 4.340 -0.033 0.000 0.268 6 L C -1.968 174.900 176.870 -0.003 0.000 1.058 6 L CA -2.643 52.164 54.840 -0.055 0.000 0.803 6 L CB -0.218 41.776 42.059 -0.109 0.000 1.212 6 L HN -0.881 7.225 8.230 -0.105 0.061 0.451 7 P HA 0.112 4.596 4.420 0.106 0.000 0.271 7 P C -1.730 175.596 177.300 0.044 0.000 1.218 7 P CA -0.607 62.528 63.100 0.058 0.000 0.780 7 P CB 0.571 32.282 31.700 0.018 0.000 0.901 8 H N 0.821 119.854 119.070 -0.062 0.000 2.479 8 H HA 0.782 5.500 4.556 -0.077 -0.209 0.335 8 H C 0.194 175.474 175.328 -0.079 0.000 1.142 8 H CA -0.846 55.157 56.048 -0.075 0.000 1.234 8 H CB 2.978 32.692 29.762 -0.080 0.000 1.503 8 H HN 0.063 8.508 8.280 0.275 0.000 0.510 9 T N 2.187 116.744 114.554 0.005 0.000 2.909 9 T HA 0.198 4.529 4.350 -0.032 0.000 0.299 9 T C -1.970 172.650 174.700 -0.133 0.000 1.073 9 T CA -1.917 60.150 62.100 -0.055 0.000 0.999 9 T CB 2.069 70.900 68.868 -0.063 0.000 1.098 9 T HN 0.669 8.886 8.240 -0.038 0.000 0.477 10 K N 5.783 126.098 120.400 -0.142 0.000 2.244 10 K HA 0.496 4.804 4.320 -0.275 -0.153 0.260 10 K C -0.508 175.941 176.600 -0.251 0.000 0.951 10 K CA -1.422 54.741 56.287 -0.207 0.000 0.826 10 K CB 1.626 34.052 32.500 -0.124 0.000 1.108 10 K HN 0.161 8.349 8.250 -0.105 0.000 0.433 11 V N 5.134 124.804 119.914 -0.407 0.000 2.459 11 V HA 0.204 4.156 4.120 -0.280 0.000 0.295 11 V C -0.719 175.239 176.094 -0.228 0.000 1.029 11 V CA -1.412 60.653 62.300 -0.391 0.000 0.874 11 V CB 1.974 33.381 31.823 -0.694 0.000 0.985 11 V HN 0.158 8.033 8.190 -0.526 0.000 0.438 12 T N 7.292 121.766 114.554 -0.134 0.000 2.728 12 T HA 0.078 4.416 4.350 -0.021 0.000 0.296 12 T C -0.974 173.727 174.700 0.002 0.000 0.940 12 T CA -0.087 61.990 62.100 -0.037 0.000 1.013 12 T CB 0.164 69.029 68.868 -0.005 0.000 0.912 12 T HN 0.108 8.271 8.240 -0.129 0.000 0.484 13 L N 6.471 127.732 121.223 0.064 0.000 2.436 13 L HA 0.006 4.444 4.340 0.164 0.000 0.265 13 L C -0.451 176.505 176.870 0.144 0.000 1.168 13 L CA 0.016 54.939 54.840 0.139 0.000 0.815 13 L CB 0.530 42.687 42.059 0.162 0.000 1.109 13 L HN 0.353 8.624 8.230 0.068 0.000 0.462 14 V N -0.264 119.763 119.914 0.189 0.000 2.960 14 V HA 0.303 4.498 4.120 0.124 0.000 0.315 14 V C -1.424 174.753 176.094 0.138 0.000 1.087 14 V CA -2.819 59.571 62.300 0.151 0.000 0.982 14 V CB 3.244 35.163 31.823 0.160 0.000 1.039 14 V HN 0.048 8.383 8.190 0.242 0.000 0.437 15 A N 1.392 124.279 122.820 0.111 0.000 2.440 15 A HA 0.256 4.636 4.320 0.100 0.000 0.251 15 A C -1.890 175.756 177.584 0.103 0.000 1.089 15 A CA -1.690 50.406 52.037 0.098 0.000 0.779 15 A CB -0.911 18.135 19.000 0.076 0.000 1.022 15 A HN 0.215 8.426 8.150 0.103 0.000 0.492 16 P HA 0.062 4.746 4.420 0.107 -0.200 0.267 16 P C -1.211 176.141 177.300 0.087 0.000 1.201 16 P CA -1.149 62.008 63.100 0.094 0.000 0.775 16 P CB -0.061 31.685 31.700 0.077 0.000 0.854 17 P HA 0.109 4.734 4.420 0.100 -0.145 0.257 17 P C -0.774 176.670 177.300 0.240 0.000 1.281 17 P CA 0.177 63.357 63.100 0.132 0.000 0.826 17 P CB 1.131 32.875 31.700 0.073 0.000 1.237 18 Q N -0.974 118.949 119.800 0.205 0.000 2.443 18 Q HA 0.069 4.528 4.340 0.200 0.000 0.232 18 Q C -0.539 175.540 176.000 0.131 0.000 1.026 18 Q CA -0.040 55.870 55.803 0.178 0.000 0.924 18 Q CB 1.028 29.855 28.738 0.149 0.000 1.256 18 Q HN -0.652 7.659 8.270 0.171 0.062 0.519 19 V N -0.515 119.459 119.914 0.100 0.000 2.588 19 V HA 0.187 4.361 4.120 0.090 0.000 0.304 19 V C -0.836 175.331 176.094 0.121 0.000 1.042 19 V CA -1.789 60.560 62.300 0.081 0.000 0.877 19 V CB 1.967 33.811 31.823 0.035 0.000 0.996 19 V HN 0.359 8.599 8.190 0.083 0.000 0.425 20 H N 5.272 124.450 119.070 0.180 0.000 2.948 20 H HA 0.097 4.743 4.556 0.150 0.000 0.351 20 H C -1.563 173.924 175.328 0.265 0.000 1.079 20 H CA -1.541 54.621 56.048 0.189 0.000 1.407 20 H CB -0.874 28.999 29.762 0.185 0.000 1.373 20 H HN 0.483 8.880 8.280 0.195 0.000 0.605 21 P HA -0.069 4.396 4.420 0.076 0.000 0.264 21 P C -1.812 175.676 177.300 0.313 0.000 1.183 21 P CA 0.959 64.177 63.100 0.196 0.000 0.763 21 P CB 0.203 31.983 31.700 0.134 0.000 0.807 22 H N -0.066 119.067 119.070 0.104 0.000 3.014 22 H HA 0.183 4.846 4.556 0.177 0.000 0.337 22 H C -1.950 173.435 175.328 0.096 0.000 1.320 22 H CA -1.834 54.292 56.048 0.130 0.000 1.128 22 H CB 1.288 31.100 29.762 0.085 0.000 1.862 22 H HN -0.415 7.725 8.280 -0.233 0.000 0.536 23 E N 0.344 120.677 120.200 0.222 0.000 2.319 23 E HA 0.128 4.473 4.350 -0.008 0.000 0.268 23 E C -0.962 175.811 176.600 0.288 0.000 1.050 23 E CA -0.717 55.763 56.400 0.132 0.000 0.878 23 E CB 1.216 30.968 29.700 0.086 0.000 1.066 23 E HN 0.277 8.836 8.360 0.331 0.000 0.406 24 Q N 1.876 121.736 119.800 0.100 0.000 1.786 24 Q HA -0.094 4.372 4.340 0.211 0.000 0.353 24 Q C -0.043 176.061 176.000 0.174 0.000 0.943 24 Q CA 0.800 56.669 55.803 0.110 0.000 0.879 24 Q CB 0.619 29.264 28.738 -0.155 0.000 1.049 24 Q HN 0.259 8.515 8.270 -0.024 0.000 0.435 25 A N -0.252 122.585 122.820 0.028 0.000 2.498 25 A HA -0.065 4.436 4.320 0.019 -0.169 0.239 25 A C -0.251 177.300 177.584 -0.056 0.000 1.068 25 A CA 0.459 52.494 52.037 -0.003 0.000 0.766 25 A CB 0.397 19.378 19.000 -0.033 0.000 1.003 25 A HN -0.140 7.998 8.150 -0.020 0.000 0.497 26 T N 0.964 115.440 114.554 -0.130 0.000 2.903 26 T HA 0.247 4.517 4.350 -0.134 0.000 0.299 26 T C 0.502 175.121 174.700 -0.134 0.000 1.093 26 T CA -1.219 60.771 62.100 -0.183 0.000 1.002 26 T CB 2.197 70.828 68.868 -0.396 0.000 1.127 26 T HN 0.099 8.268 8.240 -0.118 0.000 0.488 27 K N 4.070 124.408 120.400 -0.104 0.000 2.393 27 K HA 0.131 4.409 4.320 -0.069 0.000 0.193 27 K C 0.128 176.682 176.600 -0.078 0.000 1.026 27 K CA -0.003 56.238 56.287 -0.077 0.000 1.064 27 K CB 0.205 32.671 32.500 -0.056 0.000 0.833 27 K HN 0.280 8.469 8.250 -0.100 0.000 0.521 28 S N 1.464 117.102 115.700 -0.105 0.000 2.572 28 S HA -0.063 4.369 4.470 -0.063 0.000 0.279 28 S C 0.740 175.297 174.600 -0.072 0.000 1.341 28 S CA 1.011 59.160 58.200 -0.086 0.000 1.043 28 S CB 1.397 64.536 63.200 -0.101 0.000 0.887 28 S HN -0.423 7.749 8.310 -0.133 0.058 0.516 29 G N 2.727 111.501 108.800 -0.043 0.000 2.588 29 G HA2 0.232 4.182 3.960 -0.017 0.000 0.281 29 G HA3 0.232 4.176 3.960 -0.026 0.000 0.281 29 G C -2.182 172.709 174.900 -0.016 0.000 1.236 29 G CA -2.088 42.996 45.100 -0.026 0.000 0.969 29 G HN 0.113 8.380 8.290 -0.038 0.000 0.504 30 P HA 0.063 4.691 4.420 0.029 -0.191 0.269 30 P C -1.445 175.872 177.300 0.027 0.000 1.209 30 P CA -0.434 62.685 63.100 0.031 0.000 0.776 30 P CB 0.912 32.652 31.700 0.066 0.000 0.876 31 K N -1.419 118.999 120.400 0.030 0.000 2.480 31 K HA 0.378 4.782 4.320 -0.037 -0.105 0.258 31 K C -1.152 175.428 176.600 -0.034 0.000 0.990 31 K CA -2.032 54.244 56.287 -0.019 0.000 0.857 31 K CB 4.679 37.161 32.500 -0.030 0.000 1.384 31 K HN -0.010 8.538 8.250 0.043 -0.273 0.446 32 V N 2.750 122.548 119.914 -0.193 0.000 2.389 32 V HA 0.070 4.245 4.120 -0.147 -0.143 0.264 32 V C -1.109 174.841 176.094 -0.240 0.000 1.049 32 V CA -0.295 61.827 62.300 -0.296 0.000 0.932 32 V CB -0.726 30.650 31.823 -0.746 0.000 1.011 32 V HN 0.206 8.247 8.190 -0.247 0.000 0.475 33 V N 9.100 128.910 119.914 -0.172 0.000 2.333 33 V HA 0.307 4.439 4.120 -0.259 -0.166 0.274 33 V C -0.829 175.057 176.094 -0.347 0.000 1.028 33 V CA -1.743 60.406 62.300 -0.252 0.000 0.851 33 V CB -0.586 31.124 31.823 -0.190 0.000 1.000 33 V HN 0.839 8.951 8.190 -0.130 0.000 0.456 34 E N 7.871 127.836 120.200 -0.391 0.000 2.197 34 E HA 0.657 5.134 4.350 -0.136 -0.209 0.281 34 E C -0.863 175.451 176.600 -0.478 0.000 0.995 34 E CA -1.147 55.090 56.400 -0.272 0.000 0.808 34 E CB 2.009 31.639 29.700 -0.117 0.000 1.093 34 E HN 0.492 8.636 8.360 -0.360 0.000 0.394 35 F N 3.120 123.028 119.950 -0.071 0.000 2.588 35 F HA 0.410 4.897 4.527 -0.067 0.000 0.314 35 F C -0.980 174.801 175.800 -0.032 0.000 1.069 35 F CA -1.040 56.922 58.000 -0.063 0.000 0.931 35 F CB 4.271 43.226 39.000 -0.076 0.000 1.260 35 F HN 0.471 8.850 8.300 0.131 0.000 0.465 36 T N 2.550 117.213 114.554 0.181 0.000 2.886 36 T HA 0.728 5.337 4.350 0.114 -0.191 0.292 36 T C -1.245 173.522 174.700 0.111 0.000 1.012 36 T CA -0.629 61.541 62.100 0.117 0.000 0.982 36 T CB 2.190 71.103 68.868 0.075 0.000 1.018 36 T HN 0.405 8.759 8.240 0.191 0.000 0.451 37 M N 4.596 124.258 119.600 0.103 0.000 2.457 37 M HA 0.362 5.057 4.480 0.111 -0.149 0.300 37 M C -2.030 174.346 176.300 0.127 0.000 1.141 37 M CA -0.637 54.733 55.300 0.118 0.000 0.901 37 M CB 5.135 37.811 32.600 0.126 0.000 1.687 37 M HN 0.611 8.964 8.290 0.104 0.000 0.449 38 T N 4.610 119.230 114.554 0.110 0.000 2.786 38 T HA 0.541 5.107 4.350 0.071 -0.173 0.283 38 T C -0.156 174.567 174.700 0.039 0.000 0.992 38 T CA -0.416 61.726 62.100 0.071 0.000 0.954 38 T CB 0.969 69.866 68.868 0.048 0.000 0.934 38 T HN 0.556 9.203 8.240 0.110 -0.341 0.440 39 I N 7.402 127.961 120.570 -0.018 0.000 2.588 39 I HA 0.010 4.228 4.170 -0.200 -0.169 0.283 39 I C -0.303 175.732 176.117 -0.137 0.000 1.119 39 I CA 0.842 62.041 61.300 -0.168 0.000 1.419 39 I CB 0.733 38.537 38.000 -0.327 0.000 1.394 39 I HN 0.426 8.638 8.210 0.002 0.000 0.562 40 E N 8.047 128.145 120.200 -0.170 0.000 2.255 40 E HA 0.302 4.595 4.350 -0.094 0.000 0.256 40 E C -1.366 175.137 176.600 -0.161 0.000 0.887 40 E CA -1.789 54.538 56.400 -0.122 0.000 0.782 40 E CB 3.258 32.914 29.700 -0.073 0.000 1.214 40 E HN 0.293 8.527 8.360 -0.210 0.000 0.417 41 E N 8.529 128.650 120.200 -0.132 0.000 2.289 41 E HA 0.162 4.557 4.350 -0.170 -0.147 0.278 41 E C -0.568 175.982 176.600 -0.083 0.000 1.032 41 E CA 0.043 56.368 56.400 -0.124 0.000 0.854 41 E CB 0.968 30.620 29.700 -0.079 0.000 1.046 41 E HN -0.173 8.404 8.360 -0.103 -0.279 0.409 42 K N 1.086 121.433 120.400 -0.088 0.000 2.587 42 K HA 0.271 4.566 4.320 -0.041 0.000 0.276 42 K C -2.485 174.081 176.600 -0.055 0.000 0.956 42 K CA -1.249 55.003 56.287 -0.059 0.000 0.857 42 K CB 2.631 35.096 32.500 -0.059 0.000 1.431 42 K HN 0.365 8.549 8.250 -0.111 0.000 0.420 43 K N 4.237 124.620 120.400 -0.029 0.000 2.276 43 K HA 0.267 4.766 4.320 -0.019 -0.191 0.283 43 K C -0.295 176.281 176.600 -0.040 0.000 1.044 43 K CA 0.233 56.508 56.287 -0.020 0.000 0.944 43 K CB 0.812 33.317 32.500 0.007 0.000 1.012 43 K HN 0.241 8.478 8.250 -0.021 0.000 0.472 44 M N 7.097 126.662 119.600 -0.057 0.000 2.464 44 M HA 0.188 4.630 4.480 -0.063 0.000 0.308 44 M C -1.452 174.799 176.300 -0.081 0.000 1.127 44 M CA -0.776 54.480 55.300 -0.074 0.000 0.913 44 M CB 4.061 36.599 32.600 -0.103 0.000 1.689 44 M HN 0.423 8.680 8.290 -0.056 0.000 0.445 45 V N 3.961 123.831 119.914 -0.074 0.000 2.455 45 V HA 0.101 4.336 4.120 -0.088 -0.168 0.273 45 V C 0.518 176.548 176.094 -0.107 0.000 1.045 45 V CA 0.752 63.004 62.300 -0.081 0.000 0.976 45 V CB -0.313 31.478 31.823 -0.054 0.000 0.993 45 V HN 0.433 8.585 8.190 -0.063 0.000 0.475 46 I N 0.250 120.726 120.570 -0.157 0.000 4.082 46 I HA 0.452 4.532 4.170 -0.149 0.000 0.337 46 I C -1.116 174.905 176.117 -0.160 0.000 1.352 46 I CA -0.731 60.455 61.300 -0.191 0.000 1.097 46 I CB 1.269 39.091 38.000 -0.298 0.000 1.048 46 I HN 0.536 8.643 8.210 -0.172 0.000 0.393 47 D N -1.368 118.965 120.400 -0.112 0.000 2.752 47 D HA 0.143 4.764 4.640 -0.031 0.000 0.313 47 D C -0.832 175.456 176.300 -0.018 0.000 1.225 47 D CA -1.108 52.870 54.000 -0.036 0.000 0.976 47 D CB 1.634 42.459 40.800 0.042 0.000 1.443 47 D HN -0.789 7.513 8.370 -0.113 0.000 0.515 48 D N -2.880 117.522 120.400 0.004 0.000 2.336 48 D HA 0.015 4.653 4.640 -0.003 0.000 0.228 48 D C -0.357 175.954 176.300 0.017 0.000 1.120 48 D CA -0.150 53.853 54.000 0.005 0.000 0.839 48 D CB -0.239 40.565 40.800 0.006 0.000 0.932 48 D HN 0.166 8.545 8.370 0.014 0.000 0.509 49 K N -2.209 118.208 120.400 0.028 0.000 2.706 49 K HA 0.256 4.594 4.320 0.030 0.000 0.203 49 K C 0.708 177.331 176.600 0.039 0.000 1.102 49 K CA -0.573 55.738 56.287 0.040 0.000 1.058 49 K CB 0.058 32.597 32.500 0.064 0.000 0.779 49 K HN -0.488 8.021 8.250 0.029 -0.242 0.483 50 G N 0.563 109.372 108.800 0.014 0.000 2.143 50 G HA2 -0.332 3.635 3.960 0.010 0.000 0.249 50 G HA3 -0.332 3.623 3.960 -0.009 0.000 0.249 50 G C 0.059 174.955 174.900 -0.007 0.000 0.981 50 G CA 0.303 45.404 45.100 0.002 0.000 0.665 50 G HN -0.233 8.044 8.290 0.005 0.017 0.528 51 T N 1.970 116.511 114.554 -0.022 0.000 2.916 51 T HA -0.090 4.250 4.350 -0.017 0.000 0.303 51 T C -0.794 173.832 174.700 -0.123 0.000 1.025 51 T CA 2.003 64.057 62.100 -0.077 0.000 1.142 51 T CB 0.568 69.310 68.868 -0.211 0.000 0.947 51 T HN -0.514 7.945 8.240 -0.011 -0.226 0.544 52 T N 1.643 116.144 114.554 -0.087 0.000 2.918 52 T HA 0.736 5.203 4.350 -0.097 -0.175 0.286 52 T C -0.832 173.827 174.700 -0.068 0.000 1.026 52 T CA -1.997 60.059 62.100 -0.074 0.000 1.031 52 T CB 2.353 71.208 68.868 -0.021 0.000 1.046 52 T HN 0.129 8.337 8.240 -0.054 0.000 0.479 53 L N 1.469 122.651 121.223 -0.068 0.000 2.322 53 L HA 0.367 4.712 4.340 0.008 0.000 0.281 53 L C -1.137 175.737 176.870 0.008 0.000 1.014 53 L CA -1.550 53.270 54.840 -0.033 0.000 0.815 53 L CB 3.694 45.693 42.059 -0.100 0.000 1.247 53 L HN 0.608 8.788 8.230 -0.084 0.000 0.421 54 Q N 6.080 125.924 119.800 0.072 0.000 2.431 54 Q HA -0.065 4.293 4.340 0.031 0.000 0.234 54 Q C -0.964 175.013 176.000 -0.037 0.000 1.203 54 Q CA -0.333 55.499 55.803 0.049 0.000 0.902 54 Q CB -1.221 27.588 28.738 0.118 0.000 1.455 54 Q HN 0.474 8.820 8.270 0.126 0.000 0.515 55 A N 3.920 126.684 122.820 -0.092 0.000 2.269 55 A HA 0.490 4.830 4.320 -0.173 -0.124 0.319 55 A C -1.561 175.891 177.584 -0.220 0.000 1.110 55 A CA -1.551 50.388 52.037 -0.164 0.000 0.847 55 A CB 3.077 21.977 19.000 -0.168 0.000 1.161 55 A HN 0.168 8.273 8.150 -0.075 0.000 0.497 56 M N -0.866 118.565 119.600 -0.281 0.000 2.267 56 M HA 0.290 4.579 4.480 -0.318 0.000 0.289 56 M C -1.550 174.547 176.300 -0.339 0.000 1.043 56 M CA -0.453 54.641 55.300 -0.344 0.000 0.928 56 M CB 3.571 35.901 32.600 -0.450 0.000 1.613 56 M HN 0.154 8.280 8.290 -0.272 0.000 0.450 57 T N -2.250 112.095 114.554 -0.348 0.000 2.903 57 T HA 0.479 4.684 4.350 -0.242 0.000 0.299 57 T C -1.199 173.307 174.700 -0.324 0.000 1.093 57 T CA -2.000 59.940 62.100 -0.268 0.000 1.002 57 T CB 2.826 71.604 68.868 -0.151 0.000 1.127 57 T HN 0.111 8.137 8.240 -0.357 0.000 0.488 58 F N 1.530 121.450 119.950 -0.050 0.000 2.421 58 F HA -0.005 4.504 4.527 -0.030 0.000 0.358 58 F C -0.005 175.801 175.800 0.010 0.000 1.115 58 F CA 1.010 59.012 58.000 0.002 0.000 1.160 58 F CB -0.125 38.941 39.000 0.111 0.000 1.123 58 F HN 0.428 8.775 8.300 0.078 0.000 0.508 59 N N 2.588 121.380 118.700 0.153 0.000 2.782 59 N HA -0.356 4.531 4.740 0.081 -0.099 0.251 59 N C -0.014 175.529 175.510 0.055 0.000 1.101 59 N CA 1.181 54.292 53.050 0.103 0.000 0.764 59 N CB -0.778 37.787 38.487 0.130 0.000 1.122 59 N HN 0.573 9.028 8.380 0.125 0.000 0.561 60 G N -6.788 102.021 108.800 0.015 0.000 2.176 60 G HA2 -0.397 3.559 3.960 -0.006 0.000 0.253 60 G HA3 -0.397 3.628 3.960 -0.041 -0.090 0.253 60 G C -1.073 173.812 174.900 -0.024 0.000 0.979 60 G CA 0.511 45.601 45.100 -0.016 0.000 0.641 60 G HN -0.124 8.108 8.290 0.004 0.060 0.530 61 S N -0.729 114.968 115.700 -0.005 0.000 2.568 61 S HA 0.326 4.769 4.470 -0.045 0.000 0.293 61 S C -0.933 173.631 174.600 -0.060 0.000 1.089 61 S CA -1.735 56.453 58.200 -0.020 0.000 0.945 61 S CB 2.903 66.119 63.200 0.027 0.000 1.077 61 S HN -0.778 7.494 8.310 0.024 0.053 0.485 62 M N 0.845 120.359 119.600 -0.142 0.000 2.114 62 M HA 0.424 4.746 4.480 -0.262 0.000 0.332 62 M C -2.018 174.244 176.300 -0.063 0.000 1.014 62 M CA -2.708 52.412 55.300 -0.300 0.000 0.956 62 M CB 1.714 33.883 32.600 -0.719 0.000 1.551 62 M HN 0.280 8.491 8.290 -0.132 0.000 0.427 63 P HA 0.213 4.930 4.420 0.402 -0.056 0.275 63 P C 0.163 177.547 177.300 0.140 0.000 1.266 63 P CA -0.720 62.541 63.100 0.267 0.000 0.793 63 P CB 0.909 32.753 31.700 0.239 0.000 1.074 64 G N -1.862 107.048 108.800 0.183 0.000 2.699 64 G HA2 -0.059 4.108 3.960 0.344 0.000 0.246 64 G HA3 -0.059 4.200 3.960 0.240 -0.154 0.246 64 G C -1.732 173.282 174.900 0.190 0.000 1.219 64 G CA -1.503 43.744 45.100 0.244 0.000 0.866 64 G HN -0.198 8.213 8.290 0.201 0.000 0.572 65 P HA -0.065 4.443 4.420 0.146 0.000 0.272 65 P C -0.424 176.991 177.300 0.191 0.000 1.230 65 P CA -0.361 62.841 63.100 0.170 0.000 0.788 65 P CB 0.838 32.634 31.700 0.161 0.000 0.949 66 T N 2.692 117.335 114.554 0.150 0.000 2.817 66 T HA 0.468 5.132 4.350 0.156 -0.221 0.293 66 T C 0.072 174.856 174.700 0.140 0.000 0.964 66 T CA 1.332 63.506 62.100 0.123 0.000 1.085 66 T CB 0.803 69.699 68.868 0.046 0.000 0.921 66 T HN 0.240 8.562 8.240 0.138 0.000 0.502 67 L N 8.279 129.540 121.223 0.064 0.000 2.282 67 L HA 0.146 4.567 4.340 0.135 0.000 0.288 67 L C -1.459 175.452 176.870 0.069 0.000 1.033 67 L CA -0.765 54.042 54.840 -0.055 0.000 0.807 67 L CB 1.110 42.803 42.059 -0.611 0.000 1.209 67 L HN 0.345 8.630 8.230 0.091 0.000 0.423 68 V N 4.936 125.052 119.914 0.337 0.000 2.448 68 V HA 0.904 5.201 4.120 -0.053 -0.209 0.295 68 V C -0.450 175.758 176.094 0.191 0.000 1.025 68 V CA -1.887 60.427 62.300 0.023 0.000 0.859 68 V CB 1.267 32.799 31.823 -0.485 0.000 0.988 68 V HN 0.018 8.802 8.190 0.989 0.000 0.431 69 V N 1.365 121.302 119.914 0.040 0.000 3.156 69 V HA 0.511 4.717 4.120 0.143 0.000 0.311 69 V C -2.467 173.535 176.094 -0.154 0.000 1.208 69 V CA -3.218 59.116 62.300 0.058 0.000 1.063 69 V CB 2.703 34.583 31.823 0.095 0.000 1.098 69 V HN 0.841 9.018 8.190 -0.022 0.000 0.452 70 H N -0.732 118.369 119.070 0.051 0.000 2.573 70 H HA 0.564 5.315 4.556 0.056 -0.162 0.351 70 H C -0.529 174.807 175.328 0.012 0.000 1.163 70 H CA -1.698 54.375 56.048 0.040 0.000 1.205 70 H CB 2.984 32.766 29.762 0.032 0.000 1.605 70 H HN 0.344 9.081 8.280 0.211 -0.330 0.525 71 E N 2.137 122.415 120.200 0.130 0.000 2.558 71 E HA -0.536 3.994 4.350 0.030 -0.162 0.255 71 E C 1.114 177.727 176.600 0.023 0.000 0.968 71 E CA 1.504 57.940 56.400 0.060 0.000 0.939 71 E CB 0.398 30.143 29.700 0.074 0.000 0.921 71 E HN 0.005 8.457 8.360 0.154 0.000 0.477 72 G N 8.067 116.833 108.800 -0.057 0.000 2.234 72 G HA2 -0.449 3.483 3.960 -0.047 0.000 0.235 72 G HA3 -0.449 3.418 3.960 -0.155 0.000 0.235 72 G C -0.348 174.462 174.900 -0.151 0.000 0.997 72 G CA -0.164 44.873 45.100 -0.105 0.000 0.623 72 G HN 0.790 9.030 8.290 -0.083 0.000 0.514 73 D N 1.458 121.801 120.400 -0.095 0.000 2.362 73 D HA -0.069 4.683 4.640 0.022 -0.099 0.238 73 D C -0.791 175.335 176.300 -0.289 0.000 1.212 73 D CA 1.385 55.343 54.000 -0.070 0.000 0.902 73 D CB 0.786 41.583 40.800 -0.004 0.000 1.180 73 D HN -0.458 7.806 8.370 -0.043 0.080 0.445 74 Y N -2.854 117.338 120.300 -0.181 0.000 2.341 74 Y HA 0.273 4.781 4.550 -0.314 -0.146 0.337 74 Y C -0.043 175.639 175.900 -0.363 0.000 1.014 74 Y CA -0.625 57.305 58.100 -0.282 0.000 1.111 74 Y CB 1.995 40.310 38.460 -0.243 0.000 1.194 74 Y HN 0.192 8.566 8.280 0.157 0.000 0.462 75 V N 2.548 122.134 119.914 -0.547 0.000 2.406 75 V HA 0.107 4.217 4.120 -0.222 -0.123 0.272 75 V C -1.479 174.345 176.094 -0.450 0.000 1.043 75 V CA -0.783 61.173 62.300 -0.573 0.000 0.915 75 V CB 0.177 31.309 31.823 -1.153 0.000 0.988 75 V HN 0.422 8.118 8.190 -0.822 0.000 0.466 76 Q N 8.716 128.425 119.800 -0.151 0.000 2.401 76 Q HA 0.638 5.119 4.340 -0.110 -0.207 0.260 76 Q C -2.208 173.808 176.000 0.026 0.000 1.034 76 Q CA -1.668 54.087 55.803 -0.080 0.000 0.737 76 Q CB 2.325 31.026 28.738 -0.061 0.000 1.227 76 Q HN 0.447 8.687 8.270 -0.050 0.000 0.488 77 L N 8.872 130.110 121.223 0.024 0.000 2.296 77 L HA 0.742 5.363 4.340 0.142 -0.195 0.286 77 L C -1.875 175.050 176.870 0.092 0.000 1.023 77 L CA -1.608 53.287 54.840 0.090 0.000 0.812 77 L CB 3.850 45.965 42.059 0.093 0.000 1.223 77 L HN 0.620 8.842 8.230 -0.014 0.000 0.421 78 T N 9.536 124.147 114.554 0.094 0.000 2.733 78 T HA 0.357 4.947 4.350 0.082 -0.191 0.294 78 T C -1.796 172.963 174.700 0.099 0.000 0.956 78 T CA 0.558 62.709 62.100 0.085 0.000 0.987 78 T CB 0.407 69.314 68.868 0.065 0.000 0.920 78 T HN 0.419 8.721 8.240 0.103 0.000 0.470 79 L N 10.262 131.551 121.223 0.109 0.000 2.287 79 L HA 0.587 5.171 4.340 0.138 -0.162 0.287 79 L C -2.501 174.434 176.870 0.108 0.000 1.022 79 L CA -1.534 53.384 54.840 0.131 0.000 0.814 79 L CB 2.536 44.694 42.059 0.166 0.000 1.217 79 L HN 0.526 8.819 8.230 0.104 0.000 0.420 80 V N 7.373 127.346 119.914 0.099 0.000 2.417 80 V HA 0.185 4.347 4.120 0.071 0.000 0.291 80 V C -2.214 173.920 176.094 0.067 0.000 1.024 80 V CA -1.435 60.910 62.300 0.074 0.000 0.861 80 V CB 1.247 33.107 31.823 0.060 0.000 0.985 80 V HN 0.556 8.811 8.190 0.108 0.000 0.436 81 N N 7.498 126.239 118.700 0.070 0.000 2.800 81 N HA 0.503 5.279 4.740 0.060 0.000 0.240 81 N C -2.785 172.760 175.510 0.058 0.000 1.096 81 N CA -3.500 49.596 53.050 0.076 0.000 0.877 81 N CB 1.746 40.309 38.487 0.126 0.000 1.138 81 N HN 0.328 8.750 8.380 0.070 0.000 0.509 82 P HA 0.015 4.454 4.420 0.031 0.000 0.268 82 P C 0.053 177.373 177.300 0.033 0.000 1.208 82 P CA 0.006 63.124 63.100 0.031 0.000 0.777 82 P CB 1.006 32.718 31.700 0.020 0.000 0.875 83 A N 0.141 122.977 122.820 0.026 0.000 2.178 83 A HA -0.182 4.153 4.320 0.025 0.000 0.218 83 A C 0.546 178.142 177.584 0.020 0.000 1.157 83 A CA 2.420 54.471 52.037 0.023 0.000 0.689 83 A CB -0.276 18.735 19.000 0.019 0.000 0.787 83 A HN 0.352 8.517 8.150 0.024 0.000 0.465 84 T N -6.176 108.389 114.554 0.018 0.000 3.085 84 T HA -0.081 4.278 4.350 0.014 0.000 0.263 84 T C 0.158 174.868 174.700 0.017 0.000 1.127 84 T CA 0.484 62.593 62.100 0.015 0.000 1.103 84 T CB -0.337 68.537 68.868 0.010 0.000 0.921 84 T HN -0.446 7.755 8.240 0.018 0.049 0.510 85 N N 1.220 119.936 118.700 0.026 0.000 2.445 85 N HA -0.084 4.672 4.740 0.027 0.000 0.264 85 N C -1.044 174.487 175.510 0.035 0.000 1.227 85 N CA -0.152 52.921 53.050 0.039 0.000 0.963 85 N CB 1.368 39.901 38.487 0.076 0.000 1.188 85 N HN -0.722 7.636 8.380 0.029 0.039 0.491 86 A N 0.752 123.590 122.820 0.031 0.000 2.085 86 A HA 0.172 4.501 4.320 0.015 0.000 0.208 86 A C -0.240 177.338 177.584 -0.009 0.000 1.191 86 A CA 0.867 52.913 52.037 0.016 0.000 0.799 86 A CB 1.164 20.177 19.000 0.023 0.000 0.877 86 A HN 0.487 9.154 8.150 0.037 -0.495 0.473 87 M N -1.559 118.013 119.600 -0.047 0.000 2.578 87 M HA 0.475 4.900 4.480 -0.092 0.000 0.321 87 M C -2.435 173.678 176.300 -0.312 0.000 1.182 87 M CA -3.532 51.667 55.300 -0.169 0.000 0.965 87 M CB 0.452 32.887 32.600 -0.275 0.000 1.694 87 M HN -0.640 7.922 8.290 -0.005 -0.275 0.461 88 P HA 0.049 4.537 4.420 -0.129 -0.146 0.274 88 P C -1.744 175.281 177.300 -0.459 0.000 1.231 88 P CA -0.512 62.451 63.100 -0.229 0.000 0.790 88 P CB 1.276 32.907 31.700 -0.116 0.000 0.951 89 H N 0.332 119.420 119.070 0.030 0.000 2.943 89 H HA 0.319 4.869 4.556 -0.011 0.000 0.323 89 H C -1.617 173.725 175.328 0.023 0.000 1.296 89 H CA -1.496 54.563 56.048 0.019 0.000 1.155 89 H CB 4.583 34.353 29.762 0.012 0.000 1.882 89 H HN 0.133 8.431 8.280 0.031 0.000 0.553 90 N N -2.821 115.995 118.700 0.193 0.000 3.387 90 N HA 0.427 5.430 4.740 0.166 -0.163 0.294 90 N C -2.248 173.388 175.510 0.210 0.000 1.519 90 N CA -0.492 52.654 53.050 0.159 0.000 0.875 90 N CB 2.449 40.991 38.487 0.091 0.000 1.657 90 N HN 0.077 8.591 8.380 0.224 0.000 0.527 91 V N -1.595 118.412 119.914 0.156 0.000 2.808 91 V HA 0.263 4.611 4.120 0.139 -0.144 0.308 91 V C -2.544 173.535 176.094 -0.024 0.000 1.099 91 V CA -1.637 60.714 62.300 0.086 0.000 0.920 91 V CB 3.489 35.317 31.823 0.008 0.000 1.014 91 V HN 0.048 8.317 8.190 0.132 0.000 0.425 92 D N 8.096 128.381 120.400 -0.191 0.000 2.414 92 D HA 0.258 4.974 4.640 -0.097 -0.134 0.232 92 D C -1.818 174.276 176.300 -0.344 0.000 1.070 92 D CA -2.002 51.857 54.000 -0.235 0.000 0.839 92 D CB 1.250 41.838 40.800 -0.354 0.000 1.079 92 D HN 0.147 8.374 8.370 -0.239 0.000 0.521 93 F N 5.352 125.175 119.950 -0.212 0.000 2.371 93 F HA 0.169 4.622 4.527 -0.124 0.000 0.363 93 F C 1.142 176.854 175.800 -0.145 0.000 1.122 93 F CA -0.509 57.353 58.000 -0.231 0.000 1.129 93 F CB 0.575 39.270 39.000 -0.508 0.000 1.173 93 F HN 0.450 8.689 8.300 0.062 0.098 0.489 94 H N 5.171 124.242 119.070 0.002 0.000 2.518 94 H HA -0.155 4.401 4.556 0.000 0.000 0.289 94 H C 1.714 176.985 175.328 -0.094 0.000 1.051 94 H CA 1.491 57.566 56.048 0.045 0.000 1.280 94 H CB 0.233 30.116 29.762 0.202 0.000 1.380 94 H HN 0.367 8.718 8.280 0.118 0.000 0.566 95 G N -2.768 105.891 108.800 -0.234 0.000 2.744 95 G HA2 -0.106 3.294 3.960 -0.932 0.000 0.211 95 G HA3 -0.106 2.808 3.960 -1.744 0.000 0.211 95 G C -2.014 172.525 174.900 -0.601 0.000 1.143 95 G CA -0.204 44.338 45.100 -0.931 0.000 0.788 95 G HN 0.335 8.576 8.290 -0.017 0.039 0.534 96 A N -0.433 122.025 122.820 -0.604 0.000 2.311 96 A HA 0.504 4.487 4.320 -0.562 0.000 0.334 96 A C -1.061 176.339 177.584 -0.308 0.000 1.139 96 A CA -1.337 50.278 52.037 -0.703 0.000 0.830 96 A CB 1.902 20.083 19.000 -1.365 0.000 1.234 96 A HN -0.800 6.987 8.150 -0.473 0.079 0.483 97 T N 3.599 118.042 114.554 -0.185 0.000 2.772 97 T HA 0.192 4.485 4.350 -0.095 0.000 0.288 97 T C 0.403 175.066 174.700 -0.061 0.000 0.994 97 T CA 0.276 62.320 62.100 -0.094 0.000 0.951 97 T CB 0.209 69.046 68.868 -0.051 0.000 0.933 97 T HN 0.332 8.476 8.240 -0.161 0.000 0.447 98 G N 3.263 112.032 108.800 -0.052 0.000 2.497 98 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.686 98 G HA3 -0.208 3.740 3.960 -0.019 0.000 0.686 98 G C -1.382 173.503 174.900 -0.025 0.000 1.288 98 G CA -0.809 44.275 45.100 -0.026 0.000 0.899 98 G HN -0.226 8.028 8.290 -0.060 0.000 0.608 99 A N -1.257 121.559 122.820 -0.007 0.000 2.640 99 A HA -0.293 4.031 4.320 0.006 0.000 0.300 99 A C 0.062 177.646 177.584 0.000 0.000 1.499 99 A CA 0.828 52.867 52.037 0.002 0.000 0.759 99 A CB -1.651 17.357 19.000 0.012 0.000 1.048 99 A HN 0.323 8.471 8.150 -0.004 0.000 0.450 100 L N -6.559 114.661 121.223 -0.004 0.000 3.678 100 L HA -0.505 3.833 4.340 -0.003 0.000 0.425 100 L C 0.471 177.335 176.870 -0.011 0.000 1.240 100 L CA 0.762 55.602 54.840 -0.001 0.000 0.876 100 L CB -2.671 39.397 42.059 0.014 0.000 1.766 100 L HN 0.163 8.389 8.230 -0.006 0.000 0.917 101 G N -4.308 104.470 108.800 -0.036 0.000 2.162 101 G HA2 -0.413 3.721 3.960 -0.042 0.000 0.260 101 G HA3 -0.413 3.483 3.960 -0.107 0.000 0.260 101 G C 0.032 174.902 174.900 -0.050 0.000 0.976 101 G CA 0.339 45.401 45.100 -0.063 0.000 0.655 101 G HN 0.120 8.370 8.290 -0.041 0.015 0.533 102 G N -2.816 105.976 108.800 -0.014 0.000 2.195 102 G HA2 -0.437 3.567 3.960 0.074 0.000 0.224 102 G HA3 -0.437 3.545 3.960 0.038 0.000 0.224 102 G C 0.378 175.313 174.900 0.059 0.000 0.990 102 G CA 0.218 45.343 45.100 0.041 0.000 0.639 102 G HN -0.299 7.815 8.290 -0.017 0.166 0.514 103 A N 1.965 124.806 122.820 0.035 0.000 1.933 103 A HA -0.170 4.296 4.320 0.053 -0.114 0.218 103 A C 1.766 179.375 177.584 0.041 0.000 1.175 103 A CA 2.388 54.449 52.037 0.039 0.000 0.628 103 A CB -0.168 18.847 19.000 0.025 0.000 0.814 103 A HN -0.549 7.449 8.150 0.018 0.162 0.444 104 K N -4.409 116.010 120.400 0.032 0.000 2.362 104 K HA -0.154 4.182 4.320 0.027 0.000 0.200 104 K C 0.991 177.612 176.600 0.036 0.000 1.046 104 K CA 2.155 58.459 56.287 0.029 0.000 0.952 104 K CB 0.004 32.517 32.500 0.022 0.000 0.753 104 K HN -0.676 7.575 8.250 0.028 0.016 0.466 105 L N -3.613 117.638 121.223 0.047 0.000 2.693 105 L HA 0.156 4.523 4.340 0.045 0.000 0.235 105 L C -0.043 176.867 176.870 0.066 0.000 1.127 105 L CA -0.142 54.730 54.840 0.053 0.000 0.914 105 L CB 1.059 43.153 42.059 0.057 0.000 1.193 105 L HN -0.644 7.441 8.230 0.050 0.175 0.502 106 T N -6.692 107.906 114.554 0.074 0.000 3.339 106 T HA 0.073 4.476 4.350 0.088 0.000 0.292 106 T C -1.050 173.700 174.700 0.084 0.000 1.012 106 T CA -2.211 59.943 62.100 0.091 0.000 0.937 106 T CB 1.077 70.019 68.868 0.124 0.000 1.164 106 T HN -0.820 7.461 8.240 0.068 0.000 0.509 107 N N 3.833 122.569 118.700 0.060 0.000 2.406 107 N HA 0.043 4.972 4.740 0.052 -0.157 0.265 107 N C 0.041 175.581 175.510 0.050 0.000 1.203 107 N CA 0.899 53.977 53.050 0.048 0.000 0.945 107 N CB 0.063 38.566 38.487 0.027 0.000 1.165 107 N HN -0.175 8.237 8.380 0.053 0.000 0.485 108 V N 1.945 121.898 119.914 0.065 0.000 2.378 108 V HA 0.386 4.674 4.120 0.053 -0.136 0.288 108 V C -1.131 174.996 176.094 0.054 0.000 1.016 108 V CA -2.763 59.577 62.300 0.066 0.000 0.840 108 V CB 0.668 32.545 31.823 0.090 0.000 0.994 108 V HN 0.277 8.514 8.190 0.077 0.000 0.431 109 N N 7.786 126.506 118.700 0.033 0.000 2.424 109 N HA 0.324 5.066 4.740 0.003 0.000 0.257 109 N C -2.329 173.203 175.510 0.036 0.000 1.250 109 N CA -1.839 51.223 53.050 0.019 0.000 0.946 109 N CB -0.313 38.180 38.487 0.009 0.000 1.175 109 N HN 0.284 9.012 8.380 0.031 -0.330 0.477 110 P HA -0.406 4.196 4.420 0.057 -0.148 0.262 110 P C 0.408 177.727 177.300 0.032 0.000 1.182 110 P CA 1.479 64.603 63.100 0.040 0.000 0.761 110 P CB 0.046 31.763 31.700 0.029 0.000 0.795 111 G N 4.462 113.283 108.800 0.035 0.000 2.176 111 G HA2 -0.418 3.556 3.960 0.024 0.000 0.232 111 G HA3 -0.418 3.558 3.960 0.027 0.000 0.232 111 G C -0.947 173.972 174.900 0.031 0.000 0.986 111 G CA -0.182 44.935 45.100 0.029 0.000 0.643 111 G HN 0.569 8.827 8.290 0.040 0.056 0.522 112 E N 0.197 120.421 120.200 0.039 0.000 2.299 112 E HA 0.388 4.759 4.350 0.035 0.000 0.265 112 E C -2.033 174.598 176.600 0.051 0.000 0.911 112 E CA -1.427 54.998 56.400 0.041 0.000 0.789 112 E CB 3.419 33.143 29.700 0.040 0.000 1.246 112 E HN -0.414 7.973 8.360 0.045 0.000 0.427 113 Q N -1.963 117.867 119.800 0.049 0.000 2.495 113 Q HA 0.911 5.442 4.340 0.069 -0.150 0.287 113 Q C -1.705 174.329 176.000 0.057 0.000 1.078 113 Q CA -1.698 54.139 55.803 0.058 0.000 0.793 113 Q CB 4.269 33.039 28.738 0.053 0.000 1.459 113 Q HN 0.219 8.515 8.270 0.043 0.000 0.422 114 A N 0.507 123.367 122.820 0.067 0.000 2.587 114 A HA 0.535 4.887 4.320 0.054 0.000 0.293 114 A C -2.480 175.146 177.584 0.071 0.000 1.087 114 A CA 0.095 52.171 52.037 0.065 0.000 0.692 114 A CB 3.050 22.093 19.000 0.071 0.000 1.291 114 A HN 0.593 8.788 8.150 0.076 0.000 0.407 115 T N 1.692 116.283 114.554 0.063 0.000 2.841 115 T HA 0.803 5.409 4.350 0.073 -0.212 0.285 115 T C -0.709 174.030 174.700 0.065 0.000 0.991 115 T CA -0.373 61.765 62.100 0.063 0.000 0.966 115 T CB 1.633 70.529 68.868 0.047 0.000 0.962 115 T HN 0.093 8.367 8.240 0.056 0.000 0.438 116 L N 7.198 128.468 121.223 0.078 0.000 2.329 116 L HA 0.449 4.841 4.340 0.085 0.000 0.279 116 L C -2.541 174.364 176.870 0.059 0.000 1.014 116 L CA -1.306 53.589 54.840 0.092 0.000 0.814 116 L CB 3.393 45.539 42.059 0.146 0.000 1.257 116 L HN 0.623 8.903 8.230 0.083 0.000 0.424 117 R N 5.321 125.858 120.500 0.061 0.000 2.562 117 R HA 0.942 5.468 4.340 -0.080 -0.235 0.298 117 R C -1.015 175.356 176.300 0.117 0.000 0.961 117 R CA -1.665 54.441 56.100 0.010 0.000 0.881 117 R CB 2.456 32.754 30.300 -0.004 0.000 1.159 117 R HN 0.139 8.454 8.270 0.075 0.000 0.450 118 F N 2.182 122.110 119.950 -0.037 0.000 2.631 118 F HA 0.388 4.924 4.527 0.015 0.000 0.308 118 F C -2.354 173.389 175.800 -0.095 0.000 1.097 118 F CA -2.540 55.428 58.000 -0.053 0.000 0.952 118 F CB 3.142 42.051 39.000 -0.152 0.000 1.307 118 F HN 0.398 8.449 8.300 -0.416 0.000 0.450 119 K N 2.258 122.651 120.400 -0.011 0.000 2.339 119 K HA -0.054 3.677 4.320 -0.982 0.000 0.286 119 K C -0.208 176.270 176.600 -0.204 0.000 1.050 119 K CA 0.224 56.221 56.287 -0.484 0.000 0.956 119 K CB 0.655 32.862 32.500 -0.489 0.000 0.990 119 K HN 0.317 8.645 8.250 0.129 0.000 0.475 120 A N 8.866 131.489 122.820 -0.328 0.000 3.004 120 A HA 0.282 4.567 4.320 -0.057 0.000 0.286 120 A C -1.117 176.379 177.584 -0.147 0.000 1.632 120 A CA -1.601 50.339 52.037 -0.161 0.000 1.339 120 A CB -0.196 18.703 19.000 -0.169 0.000 1.136 120 A HN 0.537 8.391 8.150 -0.493 0.000 0.577 121 D N -0.004 120.321 120.400 -0.125 0.000 2.339 121 D HA -0.075 4.508 4.640 -0.095 0.000 0.217 121 D C -0.556 175.733 176.300 -0.019 0.000 1.050 121 D CA 0.266 54.215 54.000 -0.085 0.000 0.856 121 D CB 0.275 41.025 40.800 -0.085 0.000 0.922 121 D HN -0.249 8.023 8.370 -0.116 0.029 0.518 122 R N -1.053 119.447 120.500 0.001 0.000 2.513 122 R HA 0.248 4.650 4.340 0.103 0.000 0.301 122 R C -1.325 175.115 176.300 0.232 0.000 0.968 122 R CA -1.068 55.100 56.100 0.114 0.000 0.872 122 R CB 2.488 32.885 30.300 0.162 0.000 1.177 122 R HN -0.295 7.879 8.270 -0.050 0.066 0.444 123 S N 2.820 118.644 115.700 0.206 0.000 2.584 123 S HA -0.020 4.716 4.470 0.253 -0.114 0.273 123 S C -0.306 174.337 174.600 0.071 0.000 1.311 123 S CA -0.154 58.179 58.200 0.221 0.000 1.034 123 S CB 1.567 64.897 63.200 0.217 0.000 0.939 123 S HN 0.054 8.460 8.310 0.160 0.000 0.513 124 G N 0.523 109.237 108.800 -0.143 0.000 2.361 124 G HA2 -0.069 3.320 3.960 -1.042 0.000 0.305 124 G HA3 -0.069 2.703 3.960 -2.020 -0.024 0.305 124 G C -2.126 172.356 174.900 -0.696 0.000 1.367 124 G CA -0.001 44.488 45.100 -1.018 0.000 0.951 124 G HN 0.305 8.663 8.290 0.115 0.000 0.615 125 T N -1.015 113.009 114.554 -0.883 0.000 2.806 125 T HA 0.637 5.050 4.350 -0.151 -0.154 0.290 125 T C -1.369 173.030 174.700 -0.502 0.000 0.966 125 T CA -1.435 60.426 62.100 -0.398 0.000 1.060 125 T CB 0.846 69.555 68.868 -0.264 0.000 0.927 125 T HN 0.027 7.572 8.240 -1.158 0.000 0.485 126 F N 4.313 124.229 119.950 -0.056 0.000 2.556 126 F HA 0.257 4.788 4.527 0.006 0.000 0.314 126 F C -1.218 174.556 175.800 -0.044 0.000 1.106 126 F CA -1.064 56.936 58.000 -0.000 0.000 0.911 126 F CB 3.765 42.809 39.000 0.073 0.000 1.190 126 F HN 0.582 8.999 8.300 0.195 0.000 0.448 127 V N 2.469 122.394 119.914 0.018 0.000 2.843 127 V HA 0.124 4.279 4.120 -0.231 -0.173 0.305 127 V C -0.188 175.721 176.094 -0.308 0.000 1.065 127 V CA 0.416 62.570 62.300 -0.243 0.000 1.116 127 V CB 0.218 31.820 31.823 -0.369 0.000 0.968 127 V HN 0.737 8.964 8.190 0.062 0.000 0.487 128 Y N 2.158 122.239 120.300 -0.365 0.000 2.468 128 Y HA 0.966 5.286 4.550 -0.670 -0.172 0.342 128 Y C -1.647 174.031 175.900 -0.371 0.000 1.021 128 Y CA -3.330 54.403 58.100 -0.613 0.000 1.079 128 Y CB 2.727 40.516 38.460 -1.119 0.000 1.226 128 Y HN 0.546 8.473 8.280 -0.588 0.000 0.460 129 H N -1.971 117.012 119.070 -0.145 0.000 3.042 129 H HA 0.519 5.305 4.556 0.178 -0.123 0.346 129 H C -1.700 173.762 175.328 0.223 0.000 1.294 129 H CA -1.714 54.373 56.048 0.065 0.000 1.141 129 H CB 2.583 32.337 29.762 -0.013 0.000 1.872 129 H HN 0.447 8.438 8.280 -0.482 0.000 0.541 130 A N -0.000 123.121 122.820 0.501 0.000 2.425 130 A HA 0.248 4.955 4.320 0.321 -0.194 0.242 130 A C -1.039 176.742 177.584 0.330 0.000 1.077 130 A CA 0.069 52.314 52.037 0.347 0.000 0.781 130 A CB 0.553 19.705 19.000 0.253 0.000 1.020 130 A HN -0.142 8.340 8.150 0.553 0.000 0.494 131 A N 1.269 124.189 122.820 0.166 0.000 3.448 131 A HA 0.324 4.745 4.320 0.167 0.000 0.232 131 A C -3.216 174.376 177.584 0.014 0.000 1.018 131 A CA -1.728 50.391 52.037 0.136 0.000 0.996 131 A CB 0.833 19.938 19.000 0.174 0.000 1.283 131 A HN 0.411 8.977 8.150 0.124 -0.341 0.586 132 P HA 0.017 4.383 4.420 -0.089 0.000 0.271 132 P C -0.648 176.598 177.300 -0.090 0.000 1.220 132 P CA -0.796 62.209 63.100 -0.157 0.000 0.768 132 P CB 0.907 32.380 31.700 -0.378 0.000 0.848 133 E N 3.723 123.899 120.200 -0.041 0.000 2.558 133 E HA -0.423 3.930 4.350 0.006 0.000 0.255 133 E C 1.054 177.651 176.600 -0.006 0.000 0.968 133 E CA 1.528 57.922 56.400 -0.010 0.000 0.939 133 E CB 0.094 29.791 29.700 -0.004 0.000 0.921 133 E HN 0.275 8.613 8.360 -0.038 0.000 0.477 134 G N 5.679 114.492 108.800 0.022 0.000 2.234 134 G HA2 -0.328 3.647 3.960 0.026 0.000 0.260 134 G HA3 -0.328 3.660 3.960 0.046 0.000 0.260 134 G C -1.127 173.828 174.900 0.091 0.000 0.987 134 G CA 0.548 45.673 45.100 0.041 0.000 0.625 134 G HN 0.489 8.795 8.290 0.027 0.000 0.532 135 M N -4.890 114.767 119.600 0.096 0.000 3.470 135 M HA 0.466 5.129 4.480 0.305 0.000 0.454 135 M C -0.916 175.523 176.300 0.232 0.000 1.631 135 M CA -0.199 55.251 55.300 0.251 0.000 0.732 135 M CB 0.895 33.721 32.600 0.376 0.000 1.454 135 M HN -0.464 7.772 8.290 0.039 0.077 0.521 136 V N 3.743 123.740 119.914 0.138 0.000 2.237 136 V HA -0.205 3.968 4.120 0.089 0.000 0.245 136 V C -0.184 176.019 176.094 0.181 0.000 1.046 136 V CA 5.293 67.670 62.300 0.128 0.000 1.007 136 V CB -2.819 29.070 31.823 0.110 0.000 0.638 136 V HN 0.270 8.531 8.190 0.118 0.000 0.445 137 P HA -0.103 4.372 4.420 0.092 0.000 0.217 137 P C 1.421 178.877 177.300 0.260 0.000 1.150 137 P CA 2.766 65.953 63.100 0.145 0.000 0.832 137 P CB -0.653 31.094 31.700 0.078 0.000 0.787 138 W N -1.046 120.345 121.300 0.151 0.000 2.335 138 W HA -0.290 4.439 4.660 0.114 0.000 0.311 138 W C 1.614 178.263 176.519 0.216 0.000 1.213 138 W CA 2.613 60.071 57.345 0.187 0.000 1.274 138 W CB -0.759 28.880 29.460 0.298 0.000 1.148 138 W HN -0.043 8.430 8.180 0.488 0.000 0.498 139 H N -1.669 117.406 119.070 0.009 0.000 2.389 139 H HA -0.256 4.065 4.556 -0.393 0.000 0.299 139 H C 2.419 177.718 175.328 -0.047 0.000 1.081 139 H CA 3.206 59.158 56.048 -0.159 0.000 1.345 139 H CB 0.416 30.157 29.762 -0.034 0.000 1.393 139 H HN -0.722 7.889 8.280 0.552 0.000 0.520 140 V N -0.650 119.366 119.914 0.171 0.000 2.270 140 V HA -0.298 3.914 4.120 0.153 0.000 0.245 140 V C 2.752 178.942 176.094 0.159 0.000 1.043 140 V CA 3.629 66.005 62.300 0.128 0.000 1.014 140 V CB -0.405 31.424 31.823 0.010 0.000 0.645 140 V HN -0.482 7.831 8.190 0.204 0.000 0.447 141 V N -4.788 115.229 119.914 0.171 0.000 2.970 141 V HA -0.229 4.061 4.120 0.284 0.000 0.260 141 V C 1.235 177.448 176.094 0.198 0.000 1.100 141 V CA 2.705 65.154 62.300 0.250 0.000 1.122 141 V CB -1.525 30.499 31.823 0.335 0.000 0.721 141 V HN -0.033 8.256 8.190 0.166 0.000 0.483 142 S N -1.280 114.450 115.700 0.051 0.000 2.562 142 S HA -0.092 4.361 4.470 -0.028 0.000 0.221 142 S C -0.075 174.440 174.600 -0.141 0.000 0.975 142 S CA 2.452 60.599 58.200 -0.088 0.000 0.918 142 S CB 0.510 63.505 63.200 -0.343 0.000 0.772 142 S HN -0.520 7.761 8.310 0.020 0.041 0.531 143 G N -1.557 107.211 108.800 -0.053 0.000 2.370 143 G HA2 -0.220 3.620 3.960 -0.318 0.000 0.174 143 G HA3 -0.220 3.540 3.960 -0.333 0.000 0.174 143 G C -0.645 174.266 174.900 0.018 0.000 1.002 143 G CA -0.031 44.964 45.100 -0.176 0.000 0.730 143 G HN -0.429 7.740 8.290 0.060 0.158 0.497 144 M N 3.607 123.250 119.600 0.072 0.000 3.422 144 M HA 0.199 4.705 4.480 0.043 0.000 0.248 144 M C -1.985 174.560 176.300 0.409 0.000 1.433 144 M CA -1.059 54.303 55.300 0.104 0.000 1.592 144 M CB -2.561 29.958 32.600 -0.136 0.000 1.078 144 M HN -0.507 7.817 8.290 0.057 0.000 0.578 145 S N -1.388 114.548 115.700 0.394 0.000 2.565 145 S HA 0.884 5.507 4.470 -0.014 -0.162 0.269 145 S C -1.321 173.145 174.600 -0.224 0.000 1.153 145 S CA -1.507 56.728 58.200 0.059 0.000 0.835 145 S CB 3.619 66.808 63.200 -0.019 0.000 1.122 145 S HN -0.306 8.200 8.310 0.418 0.054 0.462 146 G N -1.983 106.241 108.800 -0.960 0.000 2.570 146 G HA2 0.264 3.679 3.960 -0.909 0.000 0.310 146 G HA3 0.264 3.979 3.960 -0.408 0.000 0.310 146 G C -2.740 171.627 174.900 -0.888 0.000 1.266 146 G CA 0.227 44.800 45.100 -0.878 0.000 0.825 146 G HN 0.292 7.836 8.290 -1.244 0.000 0.483 147 T N 0.752 115.106 114.554 -0.332 0.000 2.841 147 T HA 0.589 5.049 4.350 -0.090 -0.165 0.283 147 T C -1.691 173.141 174.700 0.220 0.000 1.000 147 T CA -0.241 61.830 62.100 -0.049 0.000 0.977 147 T CB 2.984 71.828 68.868 -0.040 0.000 0.979 147 T HN 0.044 8.174 8.240 -0.183 0.000 0.446 148 L N 7.239 128.634 121.223 0.285 0.000 2.272 148 L HA 0.604 5.223 4.340 0.190 -0.165 0.289 148 L C -2.517 174.477 176.870 0.207 0.000 1.032 148 L CA -1.173 53.825 54.840 0.264 0.000 0.810 148 L CB 2.334 44.622 42.059 0.382 0.000 1.205 148 L HN 0.757 9.156 8.230 0.281 0.000 0.422 149 M N 8.233 127.893 119.600 0.099 0.000 2.149 149 M HA 0.513 5.223 4.480 0.118 -0.159 0.342 149 M C -2.297 174.049 176.300 0.076 0.000 1.068 149 M CA -1.099 54.248 55.300 0.078 0.000 0.991 149 M CB 2.775 35.369 32.600 -0.010 0.000 1.596 149 M HN 0.895 9.219 8.290 0.056 0.000 0.439 150 V N 7.238 127.251 119.914 0.166 0.000 2.293 150 V HA 0.341 4.655 4.120 0.037 -0.172 0.275 150 V C -1.308 174.884 176.094 0.162 0.000 1.021 150 V CA -1.677 60.699 62.300 0.128 0.000 0.815 150 V CB -0.637 31.299 31.823 0.188 0.000 1.025 150 V HN 0.932 9.257 8.190 0.226 0.000 0.448 151 L N 8.626 129.837 121.223 -0.020 0.000 2.395 151 L HA 0.279 4.650 4.340 0.051 0.000 0.269 151 L C -1.883 175.025 176.870 0.064 0.000 1.133 151 L CA -2.190 52.630 54.840 -0.035 0.000 0.812 151 L CB 0.151 42.062 42.059 -0.246 0.000 1.125 151 L HN 0.493 8.625 8.230 -0.164 0.000 0.452 152 P HA 0.101 4.584 4.420 0.105 0.000 0.269 152 P C 0.669 178.062 177.300 0.154 0.000 1.209 152 P CA -0.352 62.800 63.100 0.088 0.000 0.776 152 P CB 0.603 32.319 31.700 0.027 0.000 0.876 153 R N 2.531 123.112 120.500 0.134 0.000 2.189 153 R HA -0.374 4.082 4.340 0.193 0.000 0.223 153 R C 0.245 176.572 176.300 0.044 0.000 1.092 153 R CA 3.644 59.808 56.100 0.107 0.000 0.989 153 R CB 0.034 30.353 30.300 0.032 0.000 0.876 153 R HN 0.565 8.896 8.270 0.101 0.000 0.457 154 D N -5.594 114.825 120.400 0.032 0.000 2.342 154 D HA 0.003 4.639 4.640 -0.007 0.000 0.221 154 D C -0.518 175.780 176.300 -0.004 0.000 1.101 154 D CA -0.532 53.470 54.000 0.004 0.000 0.837 154 D CB 0.109 40.905 40.800 -0.005 0.000 0.938 154 D HN -0.005 8.355 8.370 0.038 0.033 0.508 155 G N -1.748 107.058 108.800 0.009 0.000 2.760 155 G HA2 -0.361 3.577 3.960 -0.037 0.000 0.246 155 G HA3 -0.361 3.584 3.960 -0.025 0.000 0.246 155 G C -1.417 173.421 174.900 -0.104 0.000 1.359 155 G CA -0.583 44.496 45.100 -0.036 0.000 0.861 155 G HN -0.595 7.541 8.290 0.048 0.183 0.541 156 L N -0.051 121.076 121.223 -0.161 0.000 2.417 156 L HA -0.014 4.126 4.340 -0.332 0.000 0.268 156 L C -0.821 176.010 176.870 -0.065 0.000 1.158 156 L CA 0.473 55.180 54.840 -0.222 0.000 0.819 156 L CB 0.417 42.312 42.059 -0.273 0.000 1.112 156 L HN 0.281 8.432 8.230 -0.132 0.000 0.458 157 K N -0.465 119.934 120.400 -0.001 0.000 2.426 157 K HA 0.850 5.320 4.320 -0.072 -0.193 0.251 157 K C -1.082 175.460 176.600 -0.097 0.000 0.941 157 K CA -2.686 53.580 56.287 -0.034 0.000 0.808 157 K CB 3.515 36.001 32.500 -0.024 0.000 1.265 157 K HN 0.083 8.357 8.250 0.040 0.000 0.432 158 D N 1.281 121.482 120.400 -0.333 0.000 2.433 158 D HA 0.271 4.345 4.640 -0.945 0.000 0.255 158 D C 0.265 176.318 176.300 -0.411 0.000 1.226 158 D CA -2.163 51.416 54.000 -0.701 0.000 1.015 158 D CB -0.274 39.951 40.800 -0.959 0.000 1.091 158 D HN 0.095 8.297 8.370 -0.280 0.000 0.527 159 P HA -0.068 4.278 4.420 -0.123 0.000 0.222 159 P C 0.045 177.291 177.300 -0.090 0.000 1.147 159 P CA 2.065 65.064 63.100 -0.168 0.000 0.790 159 P CB 0.113 31.760 31.700 -0.089 0.000 0.780 160 Q N -3.953 115.785 119.800 -0.103 0.000 2.360 160 Q HA 0.083 4.403 4.340 -0.033 0.000 0.202 160 Q C 0.699 176.668 176.000 -0.052 0.000 0.915 160 Q CA -0.615 55.156 55.803 -0.053 0.000 0.943 160 Q CB -0.205 28.514 28.738 -0.032 0.000 1.064 160 Q HN -0.396 7.942 8.270 -0.151 -0.159 0.511 161 G N -1.142 107.614 108.800 -0.073 0.000 2.143 161 G HA2 -0.493 3.446 3.960 -0.035 0.000 0.249 161 G HA3 -0.493 3.438 3.960 -0.049 0.000 0.249 161 G C -0.698 174.168 174.900 -0.058 0.000 0.981 161 G CA 0.036 45.104 45.100 -0.053 0.000 0.665 161 G HN -0.266 7.841 8.290 -0.101 0.122 0.528 162 K N 1.349 121.700 120.400 -0.082 0.000 2.218 162 K HA 0.307 4.601 4.320 -0.043 0.000 0.276 162 K C -2.116 174.439 176.600 -0.075 0.000 1.022 162 K CA -2.529 53.719 56.287 -0.065 0.000 0.946 162 K CB 0.038 32.506 32.500 -0.054 0.000 1.000 162 K HN -0.565 7.855 8.250 -0.105 -0.233 0.468 163 P HA 0.142 4.674 4.420 -0.036 -0.133 0.271 163 P C -0.984 176.309 177.300 -0.011 0.000 1.216 163 P CA -0.323 62.761 63.100 -0.027 0.000 0.776 163 P CB 0.673 32.365 31.700 -0.013 0.000 0.881 164 L N 2.665 123.886 121.223 -0.003 0.000 2.365 164 L HA 0.396 4.774 4.340 0.063 0.000 0.273 164 L C -1.216 175.703 176.870 0.081 0.000 1.000 164 L CA -0.944 53.919 54.840 0.039 0.000 0.819 164 L CB 2.653 44.721 42.059 0.015 0.000 1.284 164 L HN 0.200 8.421 8.230 -0.015 0.000 0.418 165 H N -0.252 118.827 119.070 0.015 0.000 2.731 165 H HA 0.580 5.200 4.556 -0.126 -0.141 0.368 165 H C -1.689 173.673 175.328 0.057 0.000 1.168 165 H CA -2.635 53.380 56.048 -0.054 0.000 1.181 165 H CB 2.774 32.475 29.762 -0.103 0.000 1.743 165 H HN -0.183 8.141 8.280 0.074 0.000 0.547 166 Y N -3.883 116.384 120.300 -0.055 0.000 2.499 166 Y HA 0.263 4.655 4.550 -0.263 0.000 0.347 166 Y C -1.409 174.533 175.900 0.070 0.000 0.987 166 Y CA -2.060 55.980 58.100 -0.100 0.000 1.044 166 Y CB 1.911 40.334 38.460 -0.060 0.000 1.245 166 Y HN -0.286 7.995 8.280 -0.440 -0.265 0.461 167 D N 1.904 122.413 120.400 0.182 0.000 2.301 167 D HA 0.028 4.726 4.640 0.096 0.000 0.206 167 D C -0.283 176.069 176.300 0.086 0.000 0.979 167 D CA 2.200 56.276 54.000 0.127 0.000 0.874 167 D CB 1.390 42.271 40.800 0.135 0.000 0.968 167 D HN 0.484 8.948 8.370 0.156 0.000 0.510 168 R N -0.899 119.671 120.500 0.118 0.000 2.604 168 R HA 0.208 4.524 4.340 -0.041 0.000 0.270 168 R C -2.947 173.313 176.300 -0.066 0.000 1.052 168 R CA -0.653 55.420 56.100 -0.046 0.000 0.902 168 R CB 3.323 33.503 30.300 -0.201 0.000 1.233 168 R HN -0.864 7.514 8.270 0.180 0.000 0.455 169 A N 4.581 127.306 122.820 -0.157 0.000 2.330 169 A HA 0.791 5.134 4.320 -0.258 -0.178 0.327 169 A C -1.956 175.433 177.584 -0.324 0.000 1.155 169 A CA -1.624 50.279 52.037 -0.225 0.000 0.803 169 A CB 2.635 21.561 19.000 -0.122 0.000 1.208 169 A HN 0.330 8.406 8.150 -0.123 0.000 0.477 170 Y N -0.594 119.686 120.300 -0.033 0.000 2.462 170 Y HA 0.779 5.524 4.550 -0.007 -0.199 0.346 170 Y C -0.715 175.147 175.900 -0.064 0.000 0.976 170 Y CA -2.351 55.730 58.100 -0.033 0.000 1.044 170 Y CB 4.080 42.515 38.460 -0.042 0.000 1.230 170 Y HN 0.466 8.726 8.280 -0.033 0.000 0.455 171 T N 3.107 117.740 114.554 0.133 0.000 2.792 171 T HA 0.499 5.007 4.350 -0.001 -0.159 0.280 171 T C -1.417 173.261 174.700 -0.037 0.000 0.990 171 T CA -1.636 60.478 62.100 0.023 0.000 0.960 171 T CB 1.206 70.088 68.868 0.022 0.000 0.939 171 T HN 0.397 8.749 8.240 0.188 0.000 0.439 172 I N 8.911 129.390 120.570 -0.152 0.000 2.418 172 I HA 0.379 4.585 4.170 -0.230 -0.174 0.287 172 I C -1.735 174.132 176.117 -0.417 0.000 1.008 172 I CA -1.405 59.697 61.300 -0.329 0.000 1.104 172 I CB 2.553 40.220 38.000 -0.554 0.000 1.264 172 I HN 0.638 8.761 8.210 -0.144 0.000 0.438 173 G N 6.120 114.779 108.800 -0.235 0.000 2.368 173 G HA2 0.498 4.451 3.960 -0.011 0.000 0.320 173 G HA3 0.498 4.387 3.960 -0.350 -0.139 0.320 173 G C -2.818 171.972 174.900 -0.183 0.000 1.158 173 G CA -1.717 43.256 45.100 -0.212 0.000 0.912 173 G HN 0.441 8.947 8.290 -0.113 -0.284 0.456 174 E N 6.567 126.533 120.200 -0.390 0.000 2.151 174 E HA 0.791 5.462 4.350 0.221 -0.188 0.275 174 E C -1.868 174.503 176.600 -0.381 0.000 0.936 174 E CA -2.516 53.835 56.400 -0.083 0.000 0.777 174 E CB 3.334 33.120 29.700 0.143 0.000 1.108 174 E HN 0.092 8.169 8.360 -0.470 0.000 0.401 175 F N 4.332 124.324 119.950 0.070 0.000 2.445 175 F HA 0.273 4.819 4.527 0.032 0.000 0.348 175 F C -1.645 174.162 175.800 0.010 0.000 1.125 175 F CA -1.322 56.697 58.000 0.031 0.000 0.983 175 F CB 2.705 41.710 39.000 0.009 0.000 1.198 175 F HN 0.531 9.021 8.300 0.317 0.000 0.436 176 D N 3.854 124.321 120.400 0.112 0.000 2.339 176 D HA 0.060 4.786 4.640 -0.056 -0.120 0.256 176 D C -0.977 175.288 176.300 -0.059 0.000 1.214 176 D CA -0.339 53.658 54.000 -0.005 0.000 0.877 176 D CB -0.473 40.346 40.800 0.031 0.000 1.111 176 D HN 0.159 8.579 8.370 0.082 0.000 0.478 177 L N 1.981 123.078 121.223 -0.210 0.000 2.331 177 L HA 0.302 4.662 4.340 0.034 0.000 0.275 177 L C -1.252 175.352 176.870 -0.442 0.000 1.022 177 L CA -1.140 53.611 54.840 -0.148 0.000 0.812 177 L CB 2.736 44.758 42.059 -0.062 0.000 1.257 177 L HN 0.202 8.315 8.230 -0.194 0.000 0.435 178 Y N -0.529 119.844 120.300 0.122 0.000 2.658 178 Y HA 0.098 4.733 4.550 0.141 0.000 0.362 178 Y C -1.434 174.558 175.900 0.152 0.000 1.017 178 Y CA -1.608 56.571 58.100 0.132 0.000 1.134 178 Y CB -0.933 37.592 38.460 0.108 0.000 1.144 178 Y HN 0.249 8.667 8.280 0.229 0.000 0.655 179 I N 2.052 122.760 120.570 0.230 0.000 2.337 179 I HA 0.142 4.460 4.170 0.246 0.000 0.291 179 I C -1.783 174.562 176.117 0.381 0.000 1.046 179 I CA -4.908 56.541 61.300 0.249 0.000 1.324 179 I CB -1.239 36.791 38.000 0.049 0.000 1.409 179 I HN -0.614 7.710 8.210 0.189 0.000 0.494 180 P HA 0.026 4.586 4.420 0.233 0.000 0.272 180 P C -1.653 175.801 177.300 0.256 0.000 1.230 180 P CA -0.356 62.910 63.100 0.277 0.000 0.788 180 P CB 0.609 32.474 31.700 0.274 0.000 0.949 181 K N -0.027 120.436 120.400 0.106 0.000 2.203 181 K HA 0.511 4.955 4.320 -0.041 -0.149 0.251 181 K C -0.225 176.363 176.600 -0.019 0.000 0.944 181 K CA -1.251 55.015 56.287 -0.034 0.000 0.829 181 K CB 3.204 35.595 32.500 -0.181 0.000 1.125 181 K HN 0.052 8.361 8.250 0.098 0.000 0.430 182 G N 0.798 109.570 108.800 -0.046 0.000 2.557 182 G HA2 0.459 4.396 3.960 -0.038 0.000 0.292 182 G HA3 0.459 4.410 3.960 -0.014 0.000 0.292 182 G C -0.712 174.163 174.900 -0.042 0.000 1.237 182 G CA -1.796 43.284 45.100 -0.033 0.000 0.978 182 G HN 0.122 8.372 8.290 -0.067 0.000 0.498 183 P HA -0.083 4.319 4.420 -0.030 0.000 0.228 183 P C -0.965 176.312 177.300 -0.038 0.000 1.151 183 P CA 1.597 64.680 63.100 -0.030 0.000 0.770 183 P CB -0.214 31.474 31.700 -0.019 0.000 0.786 184 D N -3.829 116.545 120.400 -0.043 0.000 2.349 184 D HA -0.107 4.509 4.640 -0.040 0.000 0.224 184 D C 1.190 177.450 176.300 -0.065 0.000 1.029 184 D CA -0.696 53.276 54.000 -0.046 0.000 0.879 184 D CB -1.167 39.609 40.800 -0.040 0.000 0.906 184 D HN -0.421 7.870 8.370 -0.043 0.053 0.528 185 G N 0.547 109.295 108.800 -0.087 0.000 2.184 185 G HA2 -0.502 3.392 3.960 -0.110 0.000 0.264 185 G HA3 -0.502 3.373 3.960 -0.141 0.000 0.264 185 G C -0.762 174.026 174.900 -0.187 0.000 0.975 185 G CA 0.291 45.314 45.100 -0.129 0.000 0.642 185 G HN -0.138 7.927 8.290 -0.080 0.177 0.536 186 K N 0.640 120.950 120.400 -0.150 0.000 2.110 186 K HA 0.231 4.446 4.320 -0.174 0.000 0.263 186 K C -0.235 176.265 176.600 -0.166 0.000 0.975 186 K CA -1.184 55.016 56.287 -0.146 0.000 0.895 186 K CB 1.498 33.964 32.500 -0.056 0.000 1.060 186 K HN -0.695 7.674 8.250 -0.112 -0.186 0.448 187 Y N 0.971 121.272 120.300 0.001 0.000 2.610 187 Y HA -0.131 4.588 4.550 0.019 -0.158 0.332 187 Y C 1.248 177.113 175.900 -0.058 0.000 1.201 187 Y CA 1.554 59.657 58.100 0.005 0.000 1.465 187 Y CB 0.016 38.503 38.460 0.046 0.000 1.283 187 Y HN 0.230 8.462 8.280 -0.080 0.000 0.563 188 K N 3.529 123.966 120.400 0.060 0.000 2.270 188 K HA -0.094 4.109 4.320 -0.195 0.000 0.276 188 K C -0.891 175.530 176.600 -0.297 0.000 1.023 188 K CA -0.163 55.995 56.287 -0.215 0.000 0.955 188 K CB 0.749 32.991 32.500 -0.430 0.000 0.975 188 K HN -0.071 8.265 8.250 0.144 0.000 0.471 189 D N 1.613 121.801 120.400 -0.354 0.000 2.308 189 D HA 0.139 4.694 4.640 -0.141 0.000 0.242 189 D C -1.000 175.105 176.300 -0.325 0.000 1.059 189 D CA -1.042 52.820 54.000 -0.229 0.000 0.830 189 D CB 1.201 41.945 40.800 -0.092 0.000 1.161 189 D HN -0.012 8.159 8.370 -0.331 0.000 0.494 190 Y N 2.973 123.301 120.300 0.047 0.000 2.387 190 Y HA 0.027 4.605 4.550 0.046 0.000 0.336 190 Y C 0.717 176.642 175.900 0.040 0.000 1.067 190 Y CA -0.894 57.235 58.100 0.049 0.000 1.114 190 Y CB 2.524 41.024 38.460 0.067 0.000 1.208 190 Y HN 0.015 8.358 8.280 0.106 0.000 0.458 191 A N 2.861 125.798 122.820 0.196 0.000 2.016 191 A HA 0.037 4.413 4.320 0.093 0.000 0.217 191 A C -0.159 177.493 177.584 0.114 0.000 1.162 191 A CA 1.592 53.700 52.037 0.118 0.000 0.662 191 A CB 0.346 19.397 19.000 0.086 0.000 0.812 191 A HN 0.403 8.758 8.150 0.212 -0.077 0.450 192 T N -6.068 108.571 114.554 0.140 0.000 2.883 192 T HA 0.224 4.625 4.350 0.084 0.000 0.296 192 T C -0.315 174.448 174.700 0.105 0.000 1.117 192 T CA -2.007 60.154 62.100 0.100 0.000 1.006 192 T CB 3.075 71.989 68.868 0.077 0.000 1.191 192 T HN -0.400 8.200 8.240 0.182 -0.250 0.508 193 L N 1.467 122.745 121.223 0.092 0.000 2.017 193 L HA -0.291 4.124 4.340 0.126 0.000 0.208 193 L C 1.321 178.314 176.870 0.206 0.000 1.073 193 L CA 3.417 58.334 54.840 0.128 0.000 0.745 193 L CB -0.136 41.965 42.059 0.069 0.000 0.894 193 L HN 0.504 8.779 8.230 0.075 0.000 0.432 194 A N -3.144 119.770 122.820 0.157 0.000 1.972 194 A HA -0.339 4.112 4.320 0.218 0.000 0.219 194 A C 2.145 179.742 177.584 0.021 0.000 1.169 194 A CA 2.781 54.894 52.037 0.127 0.000 0.635 194 A CB -1.030 18.008 19.000 0.063 0.000 0.810 194 A HN 0.103 8.325 8.150 0.119 0.000 0.446 195 E N -2.935 117.264 120.200 -0.001 0.000 2.209 195 E HA -0.292 4.047 4.350 -0.018 0.000 0.196 195 E C 1.482 177.876 176.600 -0.344 0.000 0.993 195 E CA 2.501 58.868 56.400 -0.055 0.000 0.819 195 E CB -0.181 29.569 29.700 0.082 0.000 0.745 195 E HN -0.494 7.869 8.360 0.036 0.018 0.477 196 S N -2.988 112.402 115.700 -0.517 0.000 2.527 196 S HA -0.070 3.252 4.470 -1.914 0.000 0.222 196 S C 0.634 174.958 174.600 -0.461 0.000 0.985 196 S CA 1.678 59.291 58.200 -0.979 0.000 0.921 196 S CB 0.552 63.356 63.200 -0.661 0.000 0.772 196 S HN -0.512 7.485 8.310 -0.257 0.159 0.529 197 Y N 4.035 124.027 120.300 -0.514 0.000 2.070 197 Y HA -0.417 3.408 4.550 -1.207 0.000 0.280 197 Y C 1.175 176.739 175.900 -0.559 0.000 1.148 197 Y CA 4.764 62.353 58.100 -0.852 0.000 1.125 197 Y CB -0.222 37.620 38.460 -1.030 0.000 0.975 197 Y HN -0.744 7.365 8.280 -0.194 0.055 0.492 198 G N -3.634 104.895 108.800 -0.451 0.000 2.408 198 G HA2 -0.387 3.433 3.960 -0.232 0.000 0.217 198 G HA3 -0.387 3.157 3.960 -0.693 0.000 0.217 198 G C 1.178 175.881 174.900 -0.329 0.000 1.150 198 G CA 1.747 46.581 45.100 -0.443 0.000 0.776 198 G HN 0.423 8.593 8.290 -0.199 0.000 0.542 199 D N 1.437 121.717 120.400 -0.199 0.000 2.117 199 D HA -0.229 4.381 4.640 -0.050 0.000 0.197 199 D C 2.137 178.388 176.300 -0.082 0.000 0.987 199 D CA 3.444 57.402 54.000 -0.070 0.000 0.829 199 D CB -0.644 40.212 40.800 0.092 0.000 0.961 199 D HN 0.070 8.326 8.370 -0.189 0.000 0.460 200 T N 3.543 118.001 114.554 -0.160 0.000 2.777 200 T HA -0.247 4.130 4.350 0.047 0.000 0.266 200 T C 1.801 176.396 174.700 -0.174 0.000 1.040 200 T CA 4.502 66.552 62.100 -0.084 0.000 1.141 200 T CB -0.044 68.801 68.868 -0.040 0.000 0.868 200 T HN -0.593 7.502 8.240 -0.241 0.000 0.444 201 V N 1.817 121.488 119.914 -0.406 0.000 2.392 201 V HA -0.374 3.557 4.120 -0.314 0.000 0.249 201 V C 1.746 177.708 176.094 -0.221 0.000 1.059 201 V CA 3.981 66.055 62.300 -0.375 0.000 1.051 201 V CB -1.141 30.331 31.823 -0.585 0.000 0.658 201 V HN -0.215 7.624 8.190 -0.584 0.000 0.455 202 Q N -0.357 119.336 119.800 -0.179 0.000 2.084 202 Q HA -0.336 3.945 4.340 -0.098 0.000 0.202 202 Q C 2.740 178.713 176.000 -0.044 0.000 0.978 202 Q CA 3.379 59.124 55.803 -0.095 0.000 0.844 202 Q CB -0.074 28.625 28.738 -0.065 0.000 0.898 202 Q HN -0.762 7.372 8.270 -0.212 0.008 0.426 203 V N -0.462 119.452 119.914 -0.000 0.000 2.343 203 V HA -0.462 3.712 4.120 0.091 0.000 0.247 203 V C 2.447 178.576 176.094 0.058 0.000 1.051 203 V CA 3.969 66.324 62.300 0.092 0.000 1.036 203 V CB -0.190 31.752 31.823 0.198 0.000 0.654 203 V HN -0.660 7.525 8.190 -0.009 0.000 0.451 204 M N -0.332 119.193 119.600 -0.124 0.000 2.106 204 M HA -0.525 3.382 4.480 -0.956 0.000 0.259 204 M C 2.340 178.485 176.300 -0.257 0.000 1.068 204 M CA 4.469 59.487 55.300 -0.470 0.000 1.100 204 M CB -0.424 31.903 32.600 -0.455 0.000 1.351 204 M HN 0.041 8.270 8.290 -0.103 0.000 0.404 205 R N -2.860 117.559 120.500 -0.136 0.000 2.237 205 R HA -0.220 4.065 4.340 -0.092 0.000 0.219 205 R C 1.693 177.975 176.300 -0.030 0.000 1.080 205 R CA 2.384 58.435 56.100 -0.081 0.000 0.995 205 R CB -0.349 29.911 30.300 -0.068 0.000 0.875 205 R HN -0.346 7.830 8.270 -0.127 0.018 0.462 206 T N -2.762 111.795 114.554 0.004 0.000 3.085 206 T HA -0.145 4.222 4.350 0.029 0.000 0.263 206 T C 0.625 175.369 174.700 0.073 0.000 1.127 206 T CA 1.177 63.303 62.100 0.044 0.000 1.103 206 T CB 0.680 69.593 68.868 0.074 0.000 0.921 206 T HN -0.479 7.611 8.240 0.003 0.151 0.510 207 L N -3.350 117.924 121.223 0.085 0.000 4.429 207 L HA -0.414 4.065 4.340 0.128 -0.062 0.422 207 L C -1.668 175.344 176.870 0.237 0.000 1.149 207 L CA 0.819 55.742 54.840 0.137 0.000 0.972 207 L CB -2.805 39.300 42.059 0.076 0.000 2.059 207 L HN -0.387 7.697 8.230 0.039 0.169 0.870 208 T N 2.101 116.818 114.554 0.272 0.000 2.821 208 T HA 0.359 4.791 4.350 0.137 0.000 0.307 208 T C -2.353 172.437 174.700 0.150 0.000 1.034 208 T CA -2.328 59.881 62.100 0.181 0.000 0.953 208 T CB 0.700 69.632 68.868 0.106 0.000 0.968 208 T HN -0.808 7.532 8.240 0.274 0.064 0.462 209 P HA 0.099 4.030 4.420 -0.970 -0.094 0.271 209 P C 0.024 177.213 177.300 -0.185 0.000 1.218 209 P CA -0.614 62.203 63.100 -0.470 0.000 0.780 209 P CB 0.852 32.276 31.700 -0.461 0.000 0.901 210 S N 1.041 116.663 115.700 -0.131 0.000 2.414 210 S HA -0.201 4.264 4.470 -0.009 0.000 0.227 210 S C -0.302 174.143 174.600 -0.259 0.000 1.022 210 S CA 2.608 60.792 58.200 -0.027 0.000 0.958 210 S CB 1.085 64.412 63.200 0.211 0.000 0.797 210 S HN 0.168 8.361 8.310 -0.195 0.000 0.493 211 H N -2.005 116.965 119.070 -0.166 0.000 2.996 211 H HA 0.374 4.970 4.556 -0.126 -0.115 0.368 211 H C -2.455 172.782 175.328 -0.151 0.000 1.185 211 H CA -0.765 55.192 56.048 -0.152 0.000 1.160 211 H CB 4.141 33.802 29.762 -0.169 0.000 1.820 211 H HN -1.013 7.211 8.280 -0.033 0.035 0.547 212 I N 2.249 122.817 120.570 -0.003 0.000 2.468 212 I HA 0.467 4.845 4.170 0.010 -0.202 0.284 212 I C -2.000 174.100 176.117 -0.028 0.000 1.038 212 I CA -0.869 60.420 61.300 -0.017 0.000 1.083 212 I CB 1.937 39.908 38.000 -0.049 0.000 1.223 212 I HN 0.336 8.422 8.210 -0.018 0.113 0.443 213 V N -0.384 119.566 119.914 0.060 0.000 2.769 213 V HA 0.574 4.805 4.120 -0.077 -0.158 0.312 213 V C -1.718 174.538 176.094 0.271 0.000 1.061 213 V CA -3.904 58.427 62.300 0.052 0.000 0.931 213 V CB 3.440 35.285 31.823 0.036 0.000 1.010 213 V HN 0.249 8.512 8.190 0.123 0.000 0.433 214 F N 2.169 122.135 119.950 0.026 0.000 2.404 214 F HA 0.450 5.185 4.527 0.064 -0.170 0.345 214 F C 0.745 176.576 175.800 0.052 0.000 1.110 214 F CA -3.093 54.930 58.000 0.039 0.000 1.130 214 F CB -0.082 38.913 39.000 -0.009 0.000 1.129 214 F HN -0.108 8.222 8.300 0.051 0.000 0.500 215 N N 2.380 121.253 118.700 0.287 0.000 2.735 215 N HA -0.348 4.662 4.740 0.139 -0.186 0.248 215 N C -0.082 175.442 175.510 0.024 0.000 1.083 215 N CA 1.072 54.203 53.050 0.134 0.000 0.703 215 N CB -1.232 37.312 38.487 0.095 0.000 1.005 215 N HN 0.620 9.222 8.380 0.371 0.000 0.550 216 G N -7.604 101.179 108.800 -0.028 0.000 2.194 216 G HA2 -0.388 3.482 3.960 -0.151 0.000 0.236 216 G HA3 -0.388 3.422 3.960 -0.250 0.000 0.236 216 G C -1.891 172.949 174.900 -0.100 0.000 0.987 216 G CA 0.116 45.131 45.100 -0.142 0.000 0.635 216 G HN 0.461 8.741 8.290 0.054 0.042 0.520 217 K N -3.928 116.442 120.400 -0.050 0.000 2.597 217 K HA 0.369 4.744 4.320 -0.092 -0.109 0.282 217 K C -1.327 175.241 176.600 -0.053 0.000 0.975 217 K CA -1.273 54.974 56.287 -0.067 0.000 0.867 217 K CB 3.088 35.547 32.500 -0.068 0.000 1.465 217 K HN -0.929 7.314 8.250 -0.012 0.000 0.417 218 V N 1.876 121.753 119.914 -0.061 0.000 2.617 218 V HA -0.425 3.635 4.120 -0.101 0.000 0.304 218 V C 1.152 177.197 176.094 -0.080 0.000 1.040 218 V CA 2.027 64.283 62.300 -0.074 0.000 1.149 218 V CB -0.826 30.972 31.823 -0.042 0.000 0.914 218 V HN 0.149 8.301 8.190 -0.063 0.000 0.487 219 G N 4.596 113.324 108.800 -0.120 0.000 2.162 219 G HA2 -0.369 3.532 3.960 -0.098 0.000 0.260 219 G HA3 -0.369 3.486 3.960 -0.174 0.000 0.260 219 G C 0.089 174.941 174.900 -0.080 0.000 0.976 219 G CA 0.797 45.825 45.100 -0.120 0.000 0.655 219 G HN 0.670 8.866 8.290 -0.157 0.000 0.533 220 A N -0.119 122.674 122.820 -0.046 0.000 1.948 220 A HA -0.228 4.080 4.320 -0.019 0.000 0.220 220 A C 0.016 177.596 177.584 -0.006 0.000 1.177 220 A CA 2.470 54.499 52.037 -0.013 0.000 0.636 220 A CB 0.036 19.047 19.000 0.019 0.000 0.815 220 A HN -0.460 7.611 8.150 -0.047 0.051 0.449 221 L N -3.241 117.980 121.223 -0.003 0.000 3.084 221 L HA 0.384 4.876 4.340 -0.005 -0.155 0.238 221 L C -0.799 176.040 176.870 -0.052 0.000 1.327 221 L CA -1.543 53.297 54.840 -0.001 0.000 1.094 221 L CB -1.063 41.034 42.059 0.063 0.000 1.477 221 L HN -0.260 7.946 8.230 -0.003 0.022 0.514 222 T N -5.448 109.064 114.554 -0.070 0.000 2.865 222 T HA 0.363 4.712 4.350 -0.002 0.000 0.294 222 T C 0.649 175.370 174.700 0.034 0.000 1.119 222 T CA -2.420 59.644 62.100 -0.060 0.000 1.007 222 T CB 3.024 71.750 68.868 -0.236 0.000 1.225 222 T HN -0.620 7.511 8.240 -0.052 0.078 0.515 223 G N 1.777 110.640 108.800 0.104 0.000 2.583 223 G HA2 -0.489 3.504 3.960 0.055 0.000 0.292 223 G HA3 -0.489 3.525 3.960 0.089 0.000 0.292 223 G C 0.558 175.493 174.900 0.057 0.000 1.203 223 G CA 1.071 46.216 45.100 0.076 0.000 0.987 223 G HN 0.448 8.849 8.290 0.185 0.000 0.554 224 A N 3.024 125.868 122.820 0.039 0.000 2.070 224 A HA -0.078 4.264 4.320 0.036 0.000 0.220 224 A C 0.657 178.259 177.584 0.031 0.000 1.159 224 A CA 2.265 54.322 52.037 0.034 0.000 0.656 224 A CB -0.260 18.756 19.000 0.027 0.000 0.800 224 A HN 0.457 8.628 8.150 0.034 0.000 0.453 225 N N -3.174 115.541 118.700 0.025 0.000 2.238 225 N HA 0.109 4.860 4.740 0.018 0.000 0.222 225 N C -1.304 174.208 175.510 0.004 0.000 1.133 225 N CA -0.447 52.612 53.050 0.015 0.000 0.854 225 N CB 0.991 39.483 38.487 0.009 0.000 1.041 225 N HN -0.434 7.897 8.380 0.026 0.064 0.510 226 A N 0.550 123.385 122.820 0.025 0.000 2.520 226 A HA -0.180 4.350 4.320 0.031 -0.192 0.235 226 A C -0.177 177.378 177.584 -0.048 0.000 1.065 226 A CA 0.461 52.515 52.037 0.029 0.000 0.764 226 A CB 0.647 19.703 19.000 0.094 0.000 1.002 226 A HN -0.774 7.336 8.150 0.040 0.064 0.502 227 L N 0.510 121.648 121.223 -0.141 0.000 2.473 227 L HA -0.049 4.017 4.340 -0.457 0.000 0.268 227 L C 0.070 176.862 176.870 -0.130 0.000 1.215 227 L CA 0.592 55.216 54.840 -0.361 0.000 0.823 227 L CB 0.180 41.845 42.059 -0.656 0.000 1.099 227 L HN -0.230 7.939 8.230 -0.102 0.000 0.483 228 T N -4.895 109.647 114.554 -0.019 0.000 2.906 228 T HA 0.896 5.433 4.350 -0.011 -0.194 0.295 228 T C -1.150 173.615 174.700 0.109 0.000 1.075 228 T CA -2.160 59.970 62.100 0.051 0.000 1.005 228 T CB 3.311 72.224 68.868 0.075 0.000 1.136 228 T HN -0.229 8.026 8.240 0.025 0.000 0.498 229 A N -0.098 122.698 122.820 -0.040 0.000 2.511 229 A HA 0.529 4.986 4.320 0.041 -0.112 0.293 229 A C -2.647 174.874 177.584 -0.104 0.000 1.098 229 A CA -0.281 51.719 52.037 -0.062 0.000 0.643 229 A CB 3.061 21.968 19.000 -0.154 0.000 1.302 229 A HN 0.211 8.312 8.150 -0.082 0.000 0.446 230 K N -3.043 117.331 120.400 -0.042 0.000 2.385 230 K HA 0.684 5.140 4.320 -0.020 -0.148 0.248 230 K C -0.261 176.369 176.600 0.050 0.000 0.955 230 K CA -1.989 54.296 56.287 -0.002 0.000 0.816 230 K CB 3.583 36.104 32.500 0.035 0.000 1.250 230 K HN -0.116 8.357 8.250 0.008 -0.218 0.434 231 V N 1.292 121.251 119.914 0.074 0.000 2.617 231 V HA -0.563 3.776 4.120 0.173 -0.116 0.304 231 V C 0.944 177.092 176.094 0.090 0.000 1.040 231 V CA 2.424 64.793 62.300 0.115 0.000 1.149 231 V CB -1.057 30.825 31.823 0.098 0.000 0.914 231 V HN 0.031 8.258 8.190 0.061 0.000 0.487 232 G N 6.843 115.696 108.800 0.089 0.000 2.213 232 G HA2 -0.306 3.687 3.960 0.055 0.000 0.236 232 G HA3 -0.306 3.673 3.960 0.032 0.000 0.236 232 G C -1.171 173.775 174.900 0.077 0.000 0.991 232 G CA -0.170 44.965 45.100 0.058 0.000 0.629 232 G HN 0.683 9.034 8.290 0.103 0.000 0.517 233 E N 2.434 122.704 120.200 0.118 0.000 2.331 233 E HA 0.193 4.741 4.350 0.124 -0.123 0.272 233 E C -1.103 175.567 176.600 0.116 0.000 1.036 233 E CA -0.975 55.506 56.400 0.134 0.000 0.864 233 E CB 1.531 31.323 29.700 0.153 0.000 1.035 233 E HN -0.522 7.845 8.360 0.139 0.077 0.408 234 T N 7.005 121.591 114.554 0.055 0.000 2.749 234 T HA 0.536 5.033 4.350 -0.075 -0.192 0.287 234 T C -0.639 174.099 174.700 0.064 0.000 0.970 234 T CA 0.040 62.119 62.100 -0.036 0.000 0.980 234 T CB 0.635 69.361 68.868 -0.237 0.000 0.924 234 T HN 0.210 8.827 8.240 0.079 -0.330 0.456 235 V N 4.707 124.674 119.914 0.090 0.000 2.547 235 V HA 0.892 5.265 4.120 0.103 -0.191 0.299 235 V C -2.299 173.822 176.094 0.044 0.000 1.040 235 V CA -2.985 59.386 62.300 0.118 0.000 0.913 235 V CB 2.357 34.335 31.823 0.258 0.000 0.992 235 V HN 0.717 8.934 8.190 0.045 0.000 0.449 236 L N 5.139 126.319 121.223 -0.071 0.000 2.272 236 L HA 0.644 5.113 4.340 -0.094 -0.185 0.289 236 L C -1.875 174.944 176.870 -0.085 0.000 1.032 236 L CA -1.673 53.053 54.840 -0.189 0.000 0.810 236 L CB 2.187 43.833 42.059 -0.688 0.000 1.205 236 L HN 0.044 8.219 8.230 -0.091 0.000 0.422 237 L N 7.217 128.440 121.223 -0.001 0.000 2.277 237 L HA 0.393 4.875 4.340 0.013 -0.133 0.284 237 L C -0.792 176.133 176.870 0.092 0.000 1.028 237 L CA -1.110 53.744 54.840 0.023 0.000 0.835 237 L CB 0.331 42.365 42.059 -0.042 0.000 1.215 237 L HN 0.612 8.854 8.230 0.021 0.000 0.425 238 I N 4.153 124.752 120.570 0.049 0.000 2.342 238 I HA 0.191 4.575 4.170 0.099 -0.155 0.291 238 I C -1.515 174.654 176.117 0.086 0.000 1.010 238 I CA -0.357 60.982 61.300 0.064 0.000 1.308 238 I CB 1.088 39.086 38.000 -0.003 0.000 1.400 238 I HN 0.461 8.681 8.210 0.017 0.000 0.488 239 H N 9.411 128.510 119.070 0.049 0.000 2.658 239 H HA 0.874 5.628 4.556 -0.039 -0.222 0.337 239 H C -1.222 174.071 175.328 -0.059 0.000 1.009 239 H CA -1.969 54.084 56.048 0.008 0.000 1.231 239 H CB 3.481 33.307 29.762 0.106 0.000 1.508 239 H HN 0.501 8.913 8.280 0.220 0.000 0.517 240 S N 6.056 121.719 115.700 -0.062 0.000 2.501 240 S HA 0.539 5.113 4.470 -0.054 -0.137 0.301 240 S C -1.359 173.149 174.600 -0.153 0.000 1.096 240 S CA -1.621 56.516 58.200 -0.105 0.000 1.063 240 S CB 2.983 66.068 63.200 -0.192 0.000 1.042 240 S HN 0.560 8.738 8.310 -0.220 0.000 0.494 241 Q N 3.769 123.479 119.800 -0.149 0.000 2.483 241 Q HA 0.409 4.565 4.340 -0.306 0.000 0.245 241 Q C -0.915 174.975 176.000 -0.183 0.000 0.902 241 Q CA -0.444 55.241 55.803 -0.197 0.000 0.767 241 Q CB 3.303 31.970 28.738 -0.117 0.000 1.341 241 Q HN -0.099 8.098 8.270 -0.121 0.000 0.453 242 A N 6.320 128.996 122.820 -0.240 0.000 2.167 242 A HA -0.132 4.099 4.320 -0.149 0.000 0.214 242 A C -0.267 177.227 177.584 -0.150 0.000 1.151 242 A CA 2.349 54.272 52.037 -0.191 0.000 0.735 242 A CB 0.132 18.998 19.000 -0.224 0.000 0.802 242 A HN 0.858 8.808 8.150 -0.332 0.000 0.467 243 N N -3.536 115.099 118.700 -0.109 0.000 2.218 243 N HA 0.069 4.773 4.740 -0.060 0.000 0.224 243 N C -1.029 174.473 175.510 -0.013 0.000 1.248 243 N CA 0.414 53.435 53.050 -0.049 0.000 0.875 243 N CB 3.219 41.709 38.487 0.005 0.000 1.165 243 N HN -0.050 8.530 8.380 -0.124 -0.274 0.485 244 R N -0.986 119.496 120.500 -0.029 0.000 2.643 244 R HA 0.211 4.555 4.340 0.007 0.000 0.269 244 R C -2.012 174.246 176.300 -0.069 0.000 1.037 244 R CA -1.202 54.893 56.100 -0.009 0.000 0.894 244 R CB 3.109 33.436 30.300 0.045 0.000 1.238 244 R HN -0.590 7.867 8.270 -0.061 -0.223 0.459 245 D N 3.333 123.687 120.400 -0.078 0.000 2.423 245 D HA 0.228 4.884 4.640 -0.362 -0.233 0.238 245 D C 0.058 176.248 176.300 -0.184 0.000 1.142 245 D CA 0.970 54.836 54.000 -0.224 0.000 0.884 245 D CB 0.528 41.258 40.800 -0.116 0.000 1.199 245 D HN 0.189 8.546 8.370 -0.023 0.000 0.438 246 T N -0.398 113.957 114.554 -0.332 0.000 2.841 246 T HA 0.289 4.579 4.350 -0.100 0.000 0.296 246 T C -2.182 172.368 174.700 -0.249 0.000 1.166 246 T CA -2.122 59.855 62.100 -0.205 0.000 1.007 246 T CB 1.951 70.732 68.868 -0.146 0.000 1.253 246 T HN 0.351 8.271 8.240 -0.533 0.000 0.511 247 R N 0.509 120.911 120.500 -0.163 0.000 2.629 247 R HA 0.913 5.373 4.340 -0.108 -0.185 0.275 247 R C -2.972 173.114 176.300 -0.356 0.000 1.719 247 R CA -3.212 52.810 56.100 -0.129 0.000 1.472 247 R CB 0.100 30.444 30.300 0.073 0.000 1.237 247 R HN 0.297 8.477 8.270 -0.149 0.000 0.589 248 P HA 0.356 4.494 4.420 -0.770 -0.180 0.269 248 P C -1.708 174.907 177.300 -1.142 0.000 1.209 248 P CA -0.119 62.379 63.100 -1.003 0.000 0.776 248 P CB 0.605 31.582 31.700 -1.205 0.000 0.876 249 H N 2.120 120.673 119.070 -0.862 0.000 3.038 249 H HA 0.327 4.494 4.556 -0.649 0.000 0.362 249 H C -2.285 172.955 175.328 -0.146 0.000 1.167 249 H CA -0.583 55.171 56.048 -0.489 0.000 1.197 249 H CB 4.124 33.806 29.762 -0.133 0.000 1.840 249 H HN 0.135 8.009 8.280 -0.677 0.000 0.540 250 L N 6.658 127.595 121.223 -0.477 0.000 2.276 250 L HA 0.481 5.017 4.340 0.077 -0.149 0.286 250 L C -1.452 175.131 176.870 -0.479 0.000 1.024 250 L CA -1.351 53.373 54.840 -0.194 0.000 0.826 250 L CB 2.153 44.178 42.059 -0.058 0.000 1.211 250 L HN 0.519 8.427 8.230 -0.538 0.000 0.422 251 I N 7.530 128.036 120.570 -0.108 0.000 2.517 251 I HA -0.033 4.182 4.170 0.075 0.000 0.285 251 I C 0.619 176.799 176.117 0.104 0.000 1.106 251 I CA 0.798 62.142 61.300 0.073 0.000 1.402 251 I CB -0.479 37.665 38.000 0.240 0.000 1.399 251 I HN 0.421 8.675 8.210 0.075 0.000 0.535 252 G N 4.928 113.758 108.800 0.050 0.000 2.184 252 G HA2 -0.329 3.655 3.960 0.039 0.000 0.264 252 G HA3 -0.329 3.672 3.960 0.068 0.000 0.264 252 G C -0.824 174.174 174.900 0.164 0.000 0.975 252 G CA -0.029 45.116 45.100 0.075 0.000 0.642 252 G HN 0.625 8.946 8.290 0.051 0.000 0.536 253 G N -0.521 108.239 108.800 -0.066 0.000 3.262 253 G HA2 0.364 3.926 3.960 -0.663 0.000 0.229 253 G HA3 0.364 4.271 3.960 -0.089 0.000 0.229 253 G C -3.375 171.034 174.900 -0.819 0.000 1.280 253 G CA -0.706 44.157 45.100 -0.395 0.000 0.951 253 G HN -0.400 7.729 8.290 -0.143 0.076 0.589 254 H N -3.885 114.803 119.070 -0.637 0.000 2.966 254 H HA 0.350 4.964 4.556 -0.042 -0.084 0.330 254 H C -0.344 174.858 175.328 -0.211 0.000 1.292 254 H CA -0.206 55.718 56.048 -0.205 0.000 1.127 254 H CB 3.664 33.404 29.762 -0.037 0.000 1.863 254 H HN -0.119 7.312 8.280 -1.416 0.000 0.543 255 G N -0.455 108.355 108.800 0.017 0.000 2.475 255 G HA2 0.067 3.519 3.960 -0.847 0.000 0.322 255 G HA3 0.067 3.801 3.960 -0.376 0.000 0.322 255 G C -0.793 173.964 174.900 -0.240 0.000 1.044 255 G CA -0.382 44.481 45.100 -0.394 0.000 1.047 255 G HN 0.298 8.692 8.290 0.173 0.000 0.436 256 D N 6.438 126.759 120.400 -0.131 0.000 2.097 256 D HA -0.159 4.269 4.640 -0.354 0.000 0.195 256 D C -0.197 175.683 176.300 -0.700 0.000 0.989 256 D CA 3.551 57.352 54.000 -0.332 0.000 0.827 256 D CB 0.769 41.433 40.800 -0.227 0.000 0.966 256 D HN -0.145 8.228 8.370 0.006 0.000 0.456 257 W N -4.072 117.083 121.300 -0.242 0.000 2.830 257 W HA 0.352 4.943 4.660 -0.424 -0.186 0.335 257 W C -1.860 174.346 176.519 -0.522 0.000 1.043 257 W CA -0.914 56.181 57.345 -0.416 0.000 1.239 257 W CB 3.758 32.961 29.460 -0.430 0.000 1.378 257 W HN -0.680 7.428 8.180 -0.120 0.000 0.456 258 V N 0.825 120.512 119.914 -0.377 0.000 2.638 258 V HA 0.622 4.746 4.120 -0.246 -0.152 0.306 258 V C -1.468 174.434 176.094 -0.319 0.000 1.052 258 V CA -1.456 60.620 62.300 -0.374 0.000 0.885 258 V CB 3.439 34.919 31.823 -0.571 0.000 0.999 258 V HN 0.940 8.934 8.190 -0.327 0.000 0.424 259 W N 6.521 127.818 121.300 -0.005 0.000 2.243 259 W HA 0.360 5.045 4.660 0.041 0.000 0.331 259 W C -0.140 176.377 176.519 -0.002 0.000 0.895 259 W CA -0.951 56.411 57.345 0.029 0.000 1.580 259 W CB -0.647 28.862 29.460 0.082 0.000 1.568 259 W HN 0.667 9.106 8.180 0.432 0.000 0.372 260 E N 2.844 123.144 120.200 0.167 0.000 2.150 260 E HA -0.305 4.185 4.350 0.233 0.000 0.193 260 E C 0.728 177.416 176.600 0.146 0.000 0.985 260 E CA 2.959 59.478 56.400 0.199 0.000 0.814 260 E CB -0.369 29.486 29.700 0.260 0.000 0.752 260 E HN 0.124 8.556 8.360 0.121 0.000 0.466 261 T N -5.393 109.229 114.554 0.113 0.000 3.148 261 T HA -0.089 4.284 4.350 0.038 0.000 0.253 261 T C 0.569 175.236 174.700 -0.056 0.000 1.134 261 T CA 0.204 62.330 62.100 0.043 0.000 1.051 261 T CB -0.521 68.376 68.868 0.049 0.000 0.959 261 T HN -0.154 8.164 8.240 0.130 0.000 0.525 262 G N 1.486 110.257 108.800 -0.049 0.000 2.147 262 G HA2 -0.459 3.528 3.960 -0.323 0.000 0.244 262 G HA3 -0.459 3.462 3.960 -0.210 -0.087 0.244 262 G C -2.038 172.493 174.900 -0.616 0.000 1.005 262 G CA 0.608 45.539 45.100 -0.282 0.000 0.713 262 G HN -0.510 7.655 8.290 0.074 0.170 0.515 263 K N -1.313 118.857 120.400 -0.383 0.000 2.483 263 K HA 0.511 4.536 4.320 -0.680 -0.114 0.256 263 K C -0.814 175.669 176.600 -0.195 0.000 0.961 263 K CA -2.684 53.353 56.287 -0.417 0.000 0.873 263 K CB 0.897 33.273 32.500 -0.207 0.000 1.107 263 K HN -0.442 7.732 8.250 -0.127 0.000 0.432 264 F N 3.176 122.989 119.950 -0.228 0.000 2.604 264 F HA -0.119 4.057 4.527 -0.585 0.000 0.298 264 F C 1.743 177.536 175.800 -0.013 0.000 1.131 264 F CA 1.371 59.174 58.000 -0.329 0.000 1.457 264 F CB -0.521 38.201 39.000 -0.463 0.000 1.095 264 F HN 0.857 8.852 8.300 -0.508 0.000 0.574 265 A N -3.114 119.807 122.820 0.168 0.000 2.167 265 A HA -0.151 4.258 4.320 0.148 0.000 0.214 265 A C -0.292 177.391 177.584 0.165 0.000 1.151 265 A CA 0.720 52.846 52.037 0.148 0.000 0.735 265 A CB -0.057 19.004 19.000 0.102 0.000 0.802 265 A HN 0.041 8.213 8.150 0.110 0.044 0.467 266 N N 0.265 119.094 118.700 0.215 0.000 2.498 266 N HA 0.381 5.205 4.740 0.141 0.000 0.287 266 N C -2.938 172.727 175.510 0.257 0.000 1.097 266 N CA -2.271 50.899 53.050 0.200 0.000 0.973 266 N CB 0.133 38.727 38.487 0.179 0.000 1.153 266 N HN -0.568 7.903 8.380 0.231 0.048 0.472 267 P HA 0.153 4.602 4.420 0.048 0.000 0.271 267 P C -2.035 175.205 177.300 -0.100 0.000 1.216 267 P CA -1.254 61.864 63.100 0.031 0.000 0.776 267 P CB -0.239 31.460 31.700 -0.001 0.000 0.881 268 P HA -0.009 4.071 4.420 -0.714 -0.088 0.276 268 P C -1.140 176.080 177.300 -0.133 0.000 1.252 268 P CA -0.831 61.880 63.100 -0.648 0.000 0.802 268 P CB 1.786 32.675 31.700 -1.352 0.000 1.035 269 Q N -0.477 119.252 119.800 -0.117 0.000 2.214 269 Q HA 0.256 4.620 4.340 0.039 0.000 0.251 269 Q C -0.899 175.032 176.000 -0.116 0.000 0.936 269 Q CA -0.887 54.897 55.803 -0.032 0.000 0.894 269 Q CB 2.641 31.346 28.738 -0.055 0.000 1.252 269 Q HN 0.215 8.349 8.270 -0.226 0.000 0.448 270 R N -0.625 119.712 120.500 -0.272 0.000 2.832 270 R HA 0.620 4.704 4.340 -0.729 -0.181 0.271 270 R C -0.686 175.384 176.300 -0.383 0.000 0.996 270 R CA -1.130 54.587 56.100 -0.638 0.000 0.977 270 R CB 2.372 31.952 30.300 -1.200 0.000 1.168 270 R HN 0.252 8.415 8.270 -0.179 0.000 0.482 271 D N -3.951 116.218 120.400 -0.386 0.000 3.068 271 D HA -0.362 4.119 4.640 -0.265 0.000 0.218 271 D C -0.891 175.379 176.300 -0.051 0.000 1.145 271 D CA 1.513 55.367 54.000 -0.243 0.000 0.896 271 D CB -1.282 39.367 40.800 -0.251 0.000 1.105 271 D HN 0.006 8.084 8.370 -0.487 0.000 0.423 272 L N -1.461 119.752 121.223 -0.017 0.000 2.456 272 L HA -0.044 4.368 4.340 0.121 0.000 0.272 272 L C 1.417 178.484 176.870 0.327 0.000 1.189 272 L CA 0.394 55.320 54.840 0.144 0.000 0.846 272 L CB 0.018 42.172 42.059 0.158 0.000 1.111 272 L HN -0.678 7.453 8.230 -0.115 0.031 0.475 273 E N 0.355 120.740 120.200 0.308 0.000 2.060 273 E HA -0.156 4.364 4.350 0.283 0.000 0.189 273 E C 0.059 176.886 176.600 0.380 0.000 0.974 273 E CA 1.961 58.543 56.400 0.302 0.000 0.808 273 E CB 0.256 30.070 29.700 0.190 0.000 0.768 273 E HN 0.435 8.937 8.360 0.237 0.000 0.453 274 T N 0.561 115.295 114.554 0.300 0.000 2.952 274 T HA 0.570 5.085 4.350 -0.031 -0.183 0.305 274 T C -1.534 173.345 174.700 0.299 0.000 1.064 274 T CA -0.385 61.796 62.100 0.135 0.000 1.008 274 T CB 2.530 71.371 68.868 -0.046 0.000 1.078 274 T HN -0.500 7.901 8.240 0.268 0.000 0.459 275 W N 2.596 123.950 121.300 0.090 0.000 3.075 275 W HA 0.390 5.113 4.660 0.104 0.000 0.334 275 W C -3.037 173.583 176.519 0.169 0.000 1.288 275 W CA -2.714 54.695 57.345 0.105 0.000 1.095 275 W CB 1.463 30.975 29.460 0.086 0.000 1.564 275 W HN 0.345 8.300 8.180 -0.376 0.000 0.629 276 F N 0.257 120.324 119.950 0.195 0.000 2.562 276 F HA 0.512 5.172 4.527 -0.026 -0.150 0.319 276 F C -1.985 173.859 175.800 0.074 0.000 1.154 276 F CA -2.042 55.991 58.000 0.055 0.000 0.931 276 F CB 3.436 42.465 39.000 0.050 0.000 1.198 276 F HN -0.282 8.518 8.300 0.536 -0.179 0.444 277 I N 6.766 127.072 120.570 -0.440 0.000 2.328 277 I HA 0.282 4.343 4.170 -0.180 0.000 0.287 277 I C -0.525 175.207 176.117 -0.641 0.000 1.012 277 I CA -2.609 58.476 61.300 -0.359 0.000 1.195 277 I CB 0.175 38.038 38.000 -0.227 0.000 1.350 277 I HN 0.445 8.335 8.210 -0.532 0.000 0.464 278 R N 6.537 126.773 120.500 -0.440 0.000 2.570 278 R HA -0.024 4.168 4.340 -0.484 -0.142 0.277 278 R C 1.182 177.367 176.300 -0.192 0.000 1.039 278 R CA 0.299 56.209 56.100 -0.318 0.000 1.065 278 R CB 0.168 30.434 30.300 -0.057 0.000 0.964 278 R HN 0.409 8.524 8.270 -0.259 0.000 0.428 279 G N 2.267 110.977 108.800 -0.150 0.000 2.265 279 G HA2 -0.355 3.608 3.960 -0.057 0.000 0.240 279 G HA3 -0.355 3.757 3.960 -0.101 -0.213 0.240 279 G C -0.043 174.843 174.900 -0.023 0.000 1.270 279 G CA 0.641 45.692 45.100 -0.080 0.000 0.901 279 G HN 0.039 8.588 8.290 -0.161 -0.355 0.507 280 G N 3.496 112.292 108.800 -0.007 0.000 2.142 280 G HA2 -0.407 3.638 3.960 0.142 0.000 0.225 280 G HA3 -0.407 3.740 3.960 0.121 -0.114 0.225 280 G C -1.325 173.677 174.900 0.170 0.000 1.015 280 G CA -0.095 45.073 45.100 0.113 0.000 0.716 280 G HN 0.143 8.328 8.290 -0.046 0.077 0.508 281 S N -2.679 113.044 115.700 0.039 0.000 2.625 281 S HA 0.372 4.903 4.470 0.102 0.000 0.271 281 S C -2.591 171.985 174.600 -0.040 0.000 1.161 281 S CA -1.240 56.978 58.200 0.029 0.000 0.820 281 S CB 2.461 65.664 63.200 0.005 0.000 1.137 281 S HN -0.629 7.669 8.310 -0.019 0.000 0.470 282 A N -1.770 121.014 122.820 -0.060 0.000 2.386 282 A HA 0.908 5.390 4.320 -0.026 -0.178 0.311 282 A C -1.445 176.099 177.584 -0.067 0.000 1.068 282 A CA -1.541 50.461 52.037 -0.059 0.000 0.743 282 A CB 3.330 22.281 19.000 -0.081 0.000 1.258 282 A HN 0.457 8.565 8.150 -0.071 0.000 0.429 283 G N -1.013 107.803 108.800 0.028 0.000 2.714 283 G HA2 0.908 4.954 3.960 0.143 0.000 0.292 283 G HA3 0.908 4.872 3.960 0.006 0.000 0.292 283 G C -3.084 171.905 174.900 0.149 0.000 1.308 283 G CA -1.723 43.425 45.100 0.080 0.000 0.964 283 G HN 0.221 8.556 8.290 0.076 0.000 0.484 284 A N -2.676 120.272 122.820 0.213 0.000 2.488 284 A HA 0.979 5.623 4.320 0.214 -0.196 0.298 284 A C -2.836 174.911 177.584 0.272 0.000 1.044 284 A CA -1.172 51.016 52.037 0.251 0.000 0.693 284 A CB 3.617 22.778 19.000 0.268 0.000 1.272 284 A HN -0.278 8.014 8.150 0.236 0.000 0.402 285 A N 2.006 124.918 122.820 0.152 0.000 2.414 285 A HA 1.040 5.487 4.320 -0.058 -0.163 0.306 285 A C -2.349 175.272 177.584 0.062 0.000 1.054 285 A CA -1.956 50.057 52.037 -0.039 0.000 0.724 285 A CB 3.473 22.238 19.000 -0.391 0.000 1.267 285 A HN 0.241 8.492 8.150 0.169 0.000 0.418 286 L N 1.684 122.958 121.223 0.084 0.000 2.309 286 L HA 0.910 5.505 4.340 0.080 -0.207 0.282 286 L C -1.466 175.443 176.870 0.065 0.000 1.036 286 L CA -1.475 53.425 54.840 0.100 0.000 0.806 286 L CB 2.650 44.829 42.059 0.200 0.000 1.220 286 L HN 0.471 8.744 8.230 0.072 0.000 0.429 287 Y N 3.391 123.601 120.300 -0.150 0.000 2.433 287 Y HA 0.288 4.848 4.550 -0.236 -0.151 0.337 287 Y C -2.430 173.276 175.900 -0.323 0.000 1.026 287 Y CA -1.201 56.732 58.100 -0.278 0.000 1.037 287 Y CB 4.266 42.478 38.460 -0.413 0.000 1.245 287 Y HN 0.482 8.786 8.280 0.040 0.000 0.443 288 T N 9.099 123.106 114.554 -0.912 0.000 2.756 288 T HA 0.376 4.655 4.350 -0.438 -0.192 0.290 288 T C -1.061 173.015 174.700 -1.041 0.000 0.985 288 T CA -0.458 61.228 62.100 -0.691 0.000 0.955 288 T CB 0.709 69.360 68.868 -0.361 0.000 0.930 288 T HN 0.049 8.009 8.240 -0.957 -0.294 0.451 289 F N 6.287 125.959 119.950 -0.463 0.000 2.529 289 F HA -0.145 4.190 4.527 -0.320 0.000 0.365 289 F C 0.375 176.084 175.800 -0.152 0.000 1.102 289 F CA 1.431 59.271 58.000 -0.267 0.000 1.271 289 F CB 0.061 39.019 39.000 -0.071 0.000 1.120 289 F HN -0.039 8.159 8.300 -0.170 0.000 0.579 290 K N 1.984 122.457 120.400 0.122 0.000 2.450 290 K HA 0.260 4.595 4.320 0.026 0.000 0.206 290 K C -0.130 176.516 176.600 0.076 0.000 1.148 290 K CA -0.338 55.983 56.287 0.057 0.000 1.014 290 K CB 1.552 34.047 32.500 -0.008 0.000 0.966 290 K HN 0.462 8.843 8.250 0.218 0.000 0.566 291 Q N -2.668 117.267 119.800 0.225 0.000 2.372 291 Q HA 0.530 4.872 4.340 0.003 0.000 0.273 291 Q C -2.691 173.531 176.000 0.370 0.000 1.078 291 Q CA -3.155 52.742 55.803 0.157 0.000 0.806 291 Q CB 2.191 30.946 28.738 0.029 0.000 1.332 291 Q HN -0.721 7.786 8.270 0.394 0.000 0.435 292 P HA -0.116 4.545 4.420 0.268 -0.080 0.276 292 P C -0.132 177.368 177.300 0.333 0.000 1.261 292 P CA -0.703 62.581 63.100 0.307 0.000 0.800 292 P CB 1.042 32.889 31.700 0.246 0.000 1.066 293 G N -2.173 106.767 108.800 0.233 0.000 2.343 293 G HA2 -0.217 3.790 3.960 0.078 0.000 0.465 293 G HA3 -0.217 3.797 3.960 0.089 0.000 0.465 293 G C -2.824 172.150 174.900 0.124 0.000 1.282 293 G CA -0.528 44.645 45.100 0.123 0.000 0.996 293 G HN -0.111 8.304 8.290 0.207 0.000 0.521 294 V N 0.855 120.779 119.914 0.017 0.000 2.350 294 V HA 0.347 4.724 4.120 0.134 -0.176 0.276 294 V C -0.197 175.900 176.094 0.005 0.000 1.028 294 V CA -0.129 62.193 62.300 0.036 0.000 0.860 294 V CB 0.500 32.277 31.823 -0.077 0.000 0.990 294 V HN 0.109 8.282 8.190 -0.029 0.000 0.453 295 Y N 7.286 127.624 120.300 0.062 0.000 2.316 295 Y HA 0.109 4.736 4.550 0.128 0.000 0.324 295 Y C -0.118 175.870 175.900 0.148 0.000 1.267 295 Y CA -0.627 57.552 58.100 0.133 0.000 1.311 295 Y CB 1.974 40.572 38.460 0.230 0.000 1.267 295 Y HN 0.480 9.063 8.280 0.505 0.000 0.516 296 A N 0.416 123.432 122.820 0.327 0.000 2.324 296 A HA 0.508 5.255 4.320 0.434 -0.166 0.330 296 A C -2.265 175.533 177.584 0.357 0.000 1.165 296 A CA -1.967 50.278 52.037 0.346 0.000 0.813 296 A CB 2.604 21.755 19.000 0.251 0.000 1.197 296 A HN 0.613 8.931 8.150 0.280 0.000 0.484 297 Y N 5.195 125.628 120.300 0.222 0.000 2.328 297 Y HA 0.872 5.695 4.550 0.144 -0.186 0.333 297 Y C -2.329 173.734 175.900 0.271 0.000 0.958 297 Y CA -2.179 56.044 58.100 0.204 0.000 1.167 297 Y CB 2.437 41.021 38.460 0.207 0.000 1.151 297 Y HN 0.006 8.546 8.280 0.434 0.000 0.470 298 L N 2.075 123.151 121.223 -0.245 0.000 2.568 298 L HA 0.537 4.931 4.340 -0.049 -0.084 0.257 298 L C -2.504 174.249 176.870 -0.194 0.000 1.024 298 L CA -1.567 53.173 54.840 -0.167 0.000 0.854 298 L CB 3.122 45.028 42.059 -0.256 0.000 1.460 298 L HN 0.486 8.505 8.230 -0.353 0.000 0.409 299 N N -0.809 117.819 118.700 -0.119 0.000 2.420 299 N HA -0.127 4.668 4.740 -0.145 -0.142 0.262 299 N C -0.289 175.152 175.510 -0.113 0.000 1.144 299 N CA -0.233 52.750 53.050 -0.112 0.000 0.952 299 N CB 0.755 39.209 38.487 -0.055 0.000 1.081 299 N HN -0.247 8.043 8.380 -0.150 0.000 0.480 300 H N 5.905 124.886 119.070 -0.148 0.000 2.592 300 H HA 0.001 4.487 4.556 -0.116 0.000 0.291 300 H C -0.822 174.457 175.328 -0.082 0.000 1.052 300 H CA 0.029 55.996 56.048 -0.134 0.000 1.175 300 H CB -0.117 29.509 29.762 -0.228 0.000 1.378 300 H HN 0.213 8.486 8.280 -0.010 0.000 0.576 301 N N 1.756 120.475 118.700 0.032 0.000 2.415 301 N HA -0.010 4.763 4.740 0.056 0.000 0.250 301 N C 0.097 175.593 175.510 -0.024 0.000 1.127 301 N CA -0.872 52.192 53.050 0.023 0.000 0.945 301 N CB -0.272 38.226 38.487 0.019 0.000 1.196 301 N HN -0.386 8.266 8.380 0.009 -0.266 0.499 302 L N 4.959 126.172 121.223 -0.016 0.000 2.275 302 L HA -0.214 4.130 4.340 0.008 0.000 0.215 302 L C 1.788 178.717 176.870 0.098 0.000 1.119 302 L CA 2.177 57.036 54.840 0.033 0.000 0.790 302 L CB -0.128 41.939 42.059 0.014 0.000 0.919 302 L HN 0.417 8.653 8.230 0.009 0.000 0.443 303 I N -0.304 120.286 120.570 0.033 0.000 2.179 303 I HA -0.619 3.575 4.170 0.040 0.000 0.242 303 I C 1.590 177.701 176.117 -0.009 0.000 1.088 303 I CA 4.199 65.511 61.300 0.021 0.000 1.357 303 I CB -0.547 37.454 38.000 0.002 0.000 1.051 303 I HN -0.458 7.873 8.210 0.019 -0.110 0.409 304 E N -1.220 118.959 120.200 -0.035 0.000 2.118 304 E HA -0.430 3.877 4.350 -0.071 0.000 0.195 304 E C 2.445 178.959 176.600 -0.143 0.000 0.992 304 E CA 3.124 59.479 56.400 -0.074 0.000 0.804 304 E CB -0.331 29.333 29.700 -0.060 0.000 0.741 304 E HN -0.678 7.925 8.360 -0.024 -0.257 0.458 305 A N -0.304 122.411 122.820 -0.176 0.000 1.832 305 A HA -0.205 3.967 4.320 -0.429 -0.110 0.214 305 A C 2.111 179.463 177.584 -0.385 0.000 1.204 305 A CA 2.968 54.782 52.037 -0.372 0.000 0.606 305 A CB -0.229 18.477 19.000 -0.489 0.000 0.849 305 A HN -0.208 7.854 8.150 -0.122 0.014 0.445 306 F N -4.074 115.790 119.950 -0.144 0.000 2.317 306 F HA -0.129 4.330 4.527 -0.112 0.000 0.293 306 F C 1.913 177.655 175.800 -0.097 0.000 1.085 306 F CA 3.214 61.147 58.000 -0.112 0.000 1.390 306 F CB 0.388 39.333 39.000 -0.092 0.000 1.077 306 F HN -0.211 8.141 8.300 0.087 0.000 0.517 307 E N -1.786 118.458 120.200 0.074 0.000 2.140 307 E HA -0.066 4.296 4.350 0.020 0.000 0.191 307 E C 0.921 177.488 176.600 -0.055 0.000 0.973 307 E CA 1.870 58.275 56.400 0.008 0.000 0.829 307 E CB 0.650 30.349 29.700 -0.002 0.000 0.781 307 E HN -0.395 8.013 8.360 0.080 0.000 0.466 308 L N -5.383 115.789 121.223 -0.085 0.000 2.638 308 L HA 0.279 4.534 4.340 -0.142 0.000 0.232 308 L C -0.080 176.719 176.870 -0.118 0.000 1.099 308 L CA 0.122 54.891 54.840 -0.118 0.000 0.883 308 L CB 1.121 43.114 42.059 -0.111 0.000 1.136 308 L HN -0.499 7.682 8.230 -0.081 0.000 0.492 309 G N -2.965 105.733 108.800 -0.170 0.000 2.227 309 G HA2 -0.256 3.647 3.960 -0.155 0.000 0.168 309 G HA3 -0.256 3.577 3.960 -0.213 0.000 0.168 309 G C -1.127 173.527 174.900 -0.410 0.000 1.006 309 G CA -0.249 44.719 45.100 -0.221 0.000 0.684 309 G HN -0.603 7.576 8.290 -0.184 0.000 0.489 310 A N 1.813 124.335 122.820 -0.497 0.000 3.091 310 A HA 0.316 3.958 4.320 -1.130 0.000 0.264 310 A C -2.508 174.338 177.584 -1.230 0.000 1.673 310 A CA -0.988 50.521 52.037 -0.879 0.000 1.362 310 A CB -1.195 17.554 19.000 -0.419 0.000 1.137 310 A HN -0.360 7.560 8.150 -0.383 0.000 0.617 311 A N 0.422 122.463 122.820 -1.299 0.000 2.566 311 A HA 0.815 4.903 4.320 -0.638 -0.151 0.297 311 A C -2.196 175.129 177.584 -0.433 0.000 1.059 311 A CA -0.297 51.279 52.037 -0.769 0.000 0.691 311 A CB 3.315 21.930 19.000 -0.642 0.000 1.282 311 A HN -0.523 6.847 8.150 -1.216 0.050 0.401 312 G N -0.975 107.824 108.800 -0.002 0.000 2.872 312 G HA2 0.870 4.981 3.960 0.253 0.000 0.285 312 G HA3 0.870 4.730 3.960 -0.166 0.000 0.285 312 G C -2.214 172.776 174.900 0.151 0.000 1.399 312 G CA -0.886 44.248 45.100 0.056 0.000 0.897 312 G HN 0.465 8.841 8.290 0.144 0.000 0.502 313 H N -1.552 117.595 119.070 0.128 0.000 2.679 313 H HA 0.785 5.622 4.556 0.158 -0.186 0.367 313 H C -1.036 174.349 175.328 0.095 0.000 1.162 313 H CA -2.270 53.851 56.048 0.121 0.000 1.181 313 H CB 4.804 34.613 29.762 0.079 0.000 1.693 313 H HN 0.276 8.609 8.280 0.089 0.000 0.538 314 I N -0.022 120.706 120.570 0.264 0.000 2.439 314 I HA 0.327 4.720 4.170 0.048 -0.194 0.283 314 I C -1.738 174.448 176.117 0.114 0.000 1.023 314 I CA -0.998 60.375 61.300 0.120 0.000 1.100 314 I CB 1.880 39.929 38.000 0.081 0.000 1.238 314 I HN 0.493 8.896 8.210 0.322 0.000 0.445 315 K N 8.439 128.866 120.400 0.046 0.000 2.262 315 K HA 0.256 4.746 4.320 0.082 -0.121 0.282 315 K C -1.759 174.826 176.600 -0.026 0.000 1.066 315 K CA -0.767 55.546 56.287 0.042 0.000 0.901 315 K CB 1.424 33.949 32.500 0.041 0.000 1.089 315 K HN 0.569 8.836 8.250 0.027 0.000 0.476 316 V N 8.071 127.982 119.914 -0.004 0.000 2.448 316 V HA 0.660 4.925 4.120 -0.173 -0.249 0.295 316 V C -0.685 175.421 176.094 0.019 0.000 1.025 316 V CA -2.206 60.035 62.300 -0.098 0.000 0.859 316 V CB 1.887 33.567 31.823 -0.238 0.000 0.988 316 V HN 0.450 8.689 8.190 0.080 0.000 0.431 317 E N 6.918 127.123 120.200 0.009 0.000 2.283 317 E HA 0.309 4.695 4.350 0.060 0.000 0.271 317 E C -0.779 175.861 176.600 0.066 0.000 1.031 317 E CA -1.644 54.783 56.400 0.045 0.000 0.868 317 E CB 1.581 31.302 29.700 0.036 0.000 1.094 317 E HN 0.013 8.360 8.360 -0.023 0.000 0.401 318 G N 0.102 108.952 108.800 0.084 0.000 2.340 318 G HA2 -0.201 3.814 3.960 0.091 0.000 0.282 318 G HA3 -0.201 3.804 3.960 0.075 0.000 0.282 318 G C -2.247 172.724 174.900 0.119 0.000 1.312 318 G CA -0.601 44.554 45.100 0.091 0.000 0.942 318 G HN -0.168 8.173 8.290 0.085 0.000 0.495 319 K N 1.138 121.606 120.400 0.112 0.000 2.211 319 K HA 0.156 4.568 4.320 0.154 0.000 0.275 319 K C -0.699 176.001 176.600 0.166 0.000 1.024 319 K CA -1.485 54.882 56.287 0.133 0.000 0.887 319 K CB 0.884 33.440 32.500 0.092 0.000 1.084 319 K HN 0.030 8.335 8.250 0.092 0.000 0.463 320 W N 6.415 127.746 121.300 0.052 0.000 2.210 320 W HA -0.240 4.585 4.660 0.069 -0.123 0.330 320 W C -1.115 175.435 176.519 0.053 0.000 1.334 320 W CA 0.159 57.537 57.345 0.056 0.000 1.227 320 W CB 0.727 30.212 29.460 0.042 0.000 1.178 320 W HN 0.079 8.474 8.180 0.358 0.000 0.560 321 N N 8.200 126.472 118.700 -0.714 0.000 2.558 321 N HA 0.184 4.809 4.740 -0.191 0.000 0.242 321 N C -0.418 174.807 175.510 -0.474 0.000 0.979 321 N CA -1.126 51.660 53.050 -0.440 0.000 0.931 321 N CB 1.107 39.397 38.487 -0.328 0.000 1.122 321 N HN 0.122 8.130 8.380 -1.207 -0.352 0.508 322 D N 6.221 126.576 120.400 -0.074 0.000 2.310 322 D HA -0.106 4.908 4.640 0.243 -0.228 0.212 322 D C 0.398 176.721 176.300 0.038 0.000 0.965 322 D CA 1.992 56.062 54.000 0.116 0.000 0.879 322 D CB -0.016 40.904 40.800 0.199 0.000 0.921 322 D HN 0.531 8.910 8.370 0.015 0.000 0.510 323 D N -1.641 118.746 120.400 -0.021 0.000 2.144 323 D HA -0.142 4.503 4.640 0.008 0.000 0.200 323 D C 1.612 177.893 176.300 -0.031 0.000 0.978 323 D CA 1.824 55.815 54.000 -0.016 0.000 0.833 323 D CB 0.200 40.986 40.800 -0.023 0.000 0.961 323 D HN -0.326 8.176 8.370 -0.040 -0.156 0.470 324 L N -2.754 118.416 121.223 -0.088 0.000 2.131 324 L HA -0.170 4.145 4.340 -0.042 0.000 0.206 324 L C 0.535 177.387 176.870 -0.030 0.000 1.087 324 L CA 1.025 55.817 54.840 -0.080 0.000 0.767 324 L CB 1.093 43.063 42.059 -0.147 0.000 0.917 324 L HN -0.661 7.650 8.230 -0.139 -0.164 0.441 325 M N -4.522 115.069 119.600 -0.015 0.000 2.325 325 M HA 0.194 4.760 4.480 0.142 0.000 0.285 325 M C -2.867 173.647 176.300 0.357 0.000 1.119 325 M CA 0.052 55.453 55.300 0.167 0.000 0.959 325 M CB 2.906 35.654 32.600 0.247 0.000 1.737 325 M HN -0.619 7.617 8.290 -0.091 0.000 0.486 326 K N 4.575 125.137 120.400 0.271 0.000 2.468 326 K HA 0.402 4.945 4.320 0.373 0.000 0.252 326 K C -1.345 175.347 176.600 0.154 0.000 0.932 326 K CA -0.640 55.803 56.287 0.260 0.000 0.794 326 K CB 2.944 35.554 32.500 0.182 0.000 1.241 326 K HN 0.011 8.381 8.250 0.199 0.000 0.428 327 Q N 6.129 125.987 119.800 0.096 0.000 2.324 327 Q HA -0.018 4.350 4.340 0.046 0.000 0.257 327 Q C -0.351 175.670 176.000 0.035 0.000 1.080 327 Q CA 0.184 56.011 55.803 0.039 0.000 0.907 327 Q CB -0.562 28.167 28.738 -0.016 0.000 1.274 327 Q HN 0.395 8.719 8.270 0.090 0.000 0.434 328 I N 4.100 124.692 120.570 0.037 0.000 2.333 328 I HA -0.104 4.087 4.170 0.035 0.000 0.246 328 I C 0.078 176.206 176.117 0.018 0.000 1.106 328 I CA 0.597 61.915 61.300 0.031 0.000 1.411 328 I CB 0.425 38.445 38.000 0.033 0.000 1.082 328 I HN 0.315 8.549 8.210 0.040 0.000 0.420 329 K N -0.348 120.059 120.400 0.012 0.000 2.578 329 K HA 0.160 4.482 4.320 0.002 0.000 0.250 329 K C -1.411 175.187 176.600 -0.002 0.000 0.955 329 K CA -0.864 55.425 56.287 0.004 0.000 0.825 329 K CB 2.007 34.510 32.500 0.005 0.000 1.151 329 K HN -0.376 7.882 8.250 0.015 0.000 0.432 330 A N 4.872 127.686 122.820 -0.010 0.000 2.406 330 A HA 0.244 4.552 4.320 -0.020 0.000 0.243 330 A C -1.371 176.204 177.584 -0.014 0.000 1.082 330 A CA -1.086 50.941 52.037 -0.017 0.000 0.786 330 A CB -0.638 18.347 19.000 -0.025 0.000 1.029 330 A HN 0.068 8.212 8.150 -0.010 0.000 0.495 331 P HA -0.149 4.265 4.420 -0.011 0.000 0.262 331 P C -1.461 175.831 177.300 -0.013 0.000 1.182 331 P CA 0.834 63.926 63.100 -0.014 0.000 0.761 331 P CB 0.029 31.719 31.700 -0.018 0.000 0.795 332 A N 4.083 126.897 122.820 -0.010 0.000 2.599 332 A HA 0.213 4.527 4.320 -0.010 0.000 0.290 332 A C -2.816 174.763 177.584 -0.007 0.000 1.101 332 A CA -1.519 50.513 52.037 -0.009 0.000 0.674 332 A CB 0.762 19.758 19.000 -0.007 0.000 1.277 332 A HN -0.264 7.880 8.150 -0.009 0.000 0.419 333 P HA 0.010 4.426 4.420 -0.007 0.000 0.266 333 P C -1.016 176.281 177.300 -0.005 0.000 1.195 333 P CA -0.210 62.887 63.100 -0.006 0.000 0.768 333 P CB 0.490 32.187 31.700 -0.006 0.000 0.838 334 I N 3.224 123.791 120.570 -0.005 0.000 2.618 334 I HA -0.075 4.094 4.170 -0.003 0.000 0.284 334 I C -0.846 175.269 176.117 -0.003 0.000 1.146 334 I CA -1.072 60.226 61.300 -0.003 0.000 1.425 334 I CB -0.005 37.993 38.000 -0.004 0.000 1.383 334 I HN -0.025 8.182 8.210 -0.005 0.000 0.562 335 P HA 0.110 4.529 4.420 -0.002 0.000 0.271 335 P C -1.551 175.748 177.300 -0.002 0.000 1.216 335 P CA -0.514 62.585 63.100 -0.002 0.000 0.776 335 P CB 0.498 32.198 31.700 -0.001 0.000 0.881 336 R N 0.000 120.499 120.500 -0.002 0.000 2.786 336 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 336 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 336 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 336 R HN 0.000 8.269 8.270 -0.002 0.000 0.535