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 1lqj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MANELTWHDV LAEEKQQPYF LNTLQTVASE RQSGVTIYPP QKDVFNAFRF DATA SEQUENCE TELGDVKVVI LGQDPYHGPG QAHGLAFSVR PGIAIPPSLL NMYKELENTI DATA SEQUENCE PGFTRPNHGY LESWARQGVL LLNTVLTVRA GQAHSHASLG WETFTDKVIS DATA SEQUENCE LINQHREGVV FLLWGSHAQK KGAIIDKQRH HVLKAPHPSP LSAHRGFFGC DATA SEQUENCE NHFVLANQWL EQRGETPIDW MPVLPAES VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.309 176.300 0.016 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 A N -0.740 122.082 122.820 0.003 0.000 2.407 2 A HA 0.481 4.800 4.320 -0.001 0.000 0.220 2 A C 1.214 178.789 177.584 -0.015 0.000 2.882 2 A CA 1.365 53.404 52.037 0.003 0.000 1.564 2 A CB -1.988 17.021 19.000 0.015 0.000 0.204 2 A HN 2.585 10.735 8.150 -0.000 0.000 0.548 3 N N -0.459 118.231 118.700 -0.017 0.000 2.945 3 N HA 0.167 4.906 4.740 -0.001 0.000 0.221 3 N C 1.067 176.558 175.510 -0.032 0.000 1.377 3 N CA 3.574 56.610 53.050 -0.023 0.000 1.021 3 N CB -1.057 37.415 38.487 -0.025 0.000 1.158 3 N HN 2.195 10.575 8.380 -0.000 0.000 0.465 4 E N -2.648 117.530 120.200 -0.037 0.000 1.603 4 E HA 0.504 4.854 4.350 -0.001 0.000 0.238 4 E C 0.090 176.659 176.600 -0.050 0.000 1.062 4 E CA 0.616 56.991 56.400 -0.041 0.000 1.490 4 E CB 0.145 29.815 29.700 -0.050 0.000 4.197 4 E HN 0.604 8.964 8.360 -0.000 0.000 0.849 5 L N 0.498 121.678 121.223 -0.071 0.000 2.869 5 L HA 0.694 5.034 4.340 -0.001 0.000 0.265 5 L C -0.781 176.040 176.870 -0.082 0.000 1.011 5 L CA -0.306 54.487 54.840 -0.077 0.000 0.913 5 L CB 2.418 44.405 42.059 -0.121 0.000 1.490 5 L HN 0.600 8.830 8.230 -0.000 0.000 0.410 6 T N -4.006 110.535 114.554 -0.022 0.000 2.932 6 T HA 0.342 4.692 4.350 -0.001 0.000 0.289 6 T C 0.520 175.302 174.700 0.138 0.000 1.039 6 T CA -0.466 61.659 62.100 0.042 0.000 1.024 6 T CB 1.294 70.234 68.868 0.119 0.000 1.090 6 T HN 0.631 8.871 8.240 -0.000 0.000 0.496 7 W N -0.116 121.277 121.300 0.155 0.000 2.364 7 W HA -0.119 4.541 4.660 -0.000 0.000 0.281 7 W C 2.473 179.117 176.519 0.208 0.000 1.219 7 W CA 0.953 58.422 57.345 0.207 0.000 1.220 7 W CB -0.196 29.448 29.460 0.307 0.000 1.127 7 W HN 0.904 9.084 8.180 -0.000 0.000 0.556 8 H N -0.059 119.193 119.070 0.303 0.000 2.457 8 H HA -0.141 4.415 4.556 -0.001 0.000 0.294 8 H C 1.229 176.628 175.328 0.119 0.000 1.064 8 H CA 1.312 57.461 56.048 0.167 0.000 1.330 8 H CB 0.206 30.033 29.762 0.109 0.000 1.395 8 H HN 0.118 8.398 8.280 -0.000 0.000 0.541 9 D N 0.158 120.640 120.400 0.137 0.000 2.183 9 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 9 D C 2.052 178.366 176.300 0.023 0.000 0.962 9 D CA 0.936 54.944 54.000 0.014 0.000 0.849 9 D CB -0.054 40.743 40.800 -0.006 0.000 0.978 9 D HN 0.382 8.752 8.370 -0.000 0.000 0.488 10 V N -1.534 118.438 119.914 0.096 0.000 3.649 10 V HA 0.219 4.339 4.120 -0.001 0.000 0.275 10 V C 1.349 177.565 176.094 0.204 0.000 1.281 10 V CA 0.375 62.742 62.300 0.112 0.000 1.143 10 V CB -0.511 31.403 31.823 0.151 0.000 0.892 10 V HN 0.050 8.240 8.190 -0.000 0.000 0.441 11 L N -0.288 121.055 121.223 0.199 0.000 3.298 11 L HA 0.538 4.878 4.340 -0.001 0.000 0.296 11 L C 2.232 179.142 176.870 0.066 0.000 1.237 11 L CA 0.524 55.469 54.840 0.175 0.000 1.038 11 L CB 0.346 42.557 42.059 0.253 0.000 1.423 11 L HN 0.224 8.454 8.230 -0.000 0.000 0.605 12 A N -0.060 122.749 122.820 -0.018 0.000 1.877 12 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 12 A C 1.227 178.782 177.584 -0.048 0.000 1.186 12 A CA 1.202 53.156 52.037 -0.137 0.000 0.620 12 A CB -0.081 18.811 19.000 -0.180 0.000 0.822 12 A HN 0.281 8.431 8.150 -0.000 0.000 0.443 13 E N 0.051 120.249 120.200 -0.003 0.000 1.892 13 E HA 0.260 4.609 4.350 -0.001 0.000 0.271 13 E C -0.269 176.364 176.600 0.056 0.000 1.146 13 E CA 0.035 56.450 56.400 0.025 0.000 1.096 13 E CB 0.454 30.177 29.700 0.037 0.000 1.155 13 E HN 0.502 8.862 8.360 -0.000 0.000 0.458 14 E N 0.073 120.289 120.200 0.027 0.000 1.603 14 E HA -0.058 4.291 4.350 -0.001 0.000 0.238 14 E C 0.986 177.474 176.600 -0.187 0.000 1.062 14 E CA 0.225 56.645 56.400 0.033 0.000 1.490 14 E CB -0.299 29.467 29.700 0.111 0.000 4.197 14 E HN 0.136 8.496 8.360 -0.000 0.000 0.849 15 K N 0.894 121.120 120.400 -0.289 0.000 2.360 15 K HA -0.074 4.245 4.320 -0.001 0.000 0.201 15 K C 1.041 177.670 176.600 0.047 0.000 1.046 15 K CA 0.964 57.053 56.287 -0.331 0.000 0.940 15 K CB 0.076 32.481 32.500 -0.158 0.000 0.748 15 K HN 0.064 8.314 8.250 -0.000 0.000 0.465 16 Q N 0.446 120.250 119.800 0.006 0.000 2.206 16 Q HA 0.091 4.430 4.340 -0.001 0.000 0.265 16 Q C -0.632 175.391 176.000 0.038 0.000 0.866 16 Q CA -0.159 55.662 55.803 0.030 0.000 1.073 16 Q CB 0.803 29.549 28.738 0.014 0.000 1.165 16 Q HN 0.001 8.271 8.270 -0.000 0.000 0.465 17 Q N -0.028 119.799 119.800 0.045 0.000 2.241 17 Q HA 0.215 4.555 4.340 -0.001 0.000 0.254 17 Q C -1.778 174.270 176.000 0.080 0.000 0.917 17 Q CA -2.432 53.434 55.803 0.104 0.000 0.919 17 Q CB 1.247 30.127 28.738 0.237 0.000 1.237 17 Q HN 0.037 8.307 8.270 -0.000 0.000 0.434 18 P HA -0.268 4.152 4.420 -0.000 0.000 0.219 18 P C 1.126 178.472 177.300 0.075 0.000 1.161 18 P CA 2.006 65.158 63.100 0.087 0.000 0.909 18 P CB -0.241 31.523 31.700 0.107 0.000 0.793 19 Y N -1.812 118.498 120.300 0.016 0.000 2.145 19 Y HA -0.160 4.389 4.550 -0.001 0.000 0.286 19 Y C 2.239 178.123 175.900 -0.027 0.000 1.145 19 Y CA 0.813 58.910 58.100 -0.005 0.000 1.148 19 Y CB -1.853 36.621 38.460 0.023 0.000 0.981 19 Y HN -0.142 8.138 8.280 -0.000 0.000 0.507 20 F N 1.224 120.411 119.950 -1.272 0.000 2.154 20 F HA -0.201 4.326 4.527 -0.000 0.000 0.301 20 F C 1.827 177.252 175.800 -0.624 0.000 1.087 20 F CA 1.594 58.942 58.000 -1.087 0.000 1.274 20 F CB -0.618 37.780 39.000 -1.004 0.000 1.009 20 F HN 0.157 8.457 8.300 -0.000 0.000 0.485 21 L N -0.168 120.839 121.223 -0.361 0.000 2.093 21 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 21 L C 1.976 178.653 176.870 -0.322 0.000 1.085 21 L CA 1.867 56.511 54.840 -0.328 0.000 0.755 21 L CB -0.938 41.027 42.059 -0.156 0.000 0.904 21 L HN 0.126 8.356 8.230 -0.000 0.000 0.435 22 N N -0.943 117.603 118.700 -0.257 0.000 2.142 22 N HA -0.160 4.579 4.740 -0.001 0.000 0.186 22 N C 1.639 176.961 175.510 -0.314 0.000 1.023 22 N CA 1.695 54.617 53.050 -0.214 0.000 0.852 22 N CB -0.332 38.075 38.487 -0.133 0.000 0.998 22 N HN 0.222 8.602 8.380 -0.000 0.000 0.424 23 T N 1.032 115.321 114.554 -0.443 0.000 2.721 23 T HA -0.116 4.233 4.350 -0.001 0.000 0.268 23 T C 1.396 175.698 174.700 -0.663 0.000 1.038 23 T CA 0.965 62.676 62.100 -0.648 0.000 1.145 23 T CB -0.101 68.190 68.868 -0.962 0.000 0.858 23 T HN 0.095 8.335 8.240 -0.000 0.000 0.459 24 L N 0.369 121.212 121.223 -0.633 0.000 2.513 24 L HA 0.266 4.606 4.340 -0.001 0.000 0.222 24 L C 2.390 179.095 176.870 -0.275 0.000 1.096 24 L CA 0.921 55.491 54.840 -0.450 0.000 0.857 24 L CB -1.045 40.715 42.059 -0.498 0.000 1.026 24 L HN 0.285 8.515 8.230 -0.000 0.000 0.469 25 Q N -0.753 118.890 119.800 -0.261 0.000 2.163 25 Q HA -0.079 4.260 4.340 -0.001 0.000 0.198 25 Q C 1.892 177.805 176.000 -0.144 0.000 0.954 25 Q CA 1.503 57.204 55.803 -0.170 0.000 0.851 25 Q CB 0.266 28.915 28.738 -0.149 0.000 0.928 25 Q HN 0.420 8.690 8.270 -0.000 0.000 0.459 26 T N 0.989 115.435 114.554 -0.181 0.000 2.545 26 T HA -0.147 4.203 4.350 -0.001 0.000 0.261 26 T C 2.035 176.666 174.700 -0.115 0.000 1.097 26 T CA 1.786 63.798 62.100 -0.147 0.000 1.189 26 T CB -0.531 68.222 68.868 -0.192 0.000 0.863 26 T HN 0.056 8.296 8.240 -0.000 0.000 0.405 27 V N 2.223 122.042 119.914 -0.157 0.000 2.363 27 V HA -0.279 3.841 4.120 -0.001 0.000 0.254 27 V C 2.855 178.938 176.094 -0.019 0.000 1.074 27 V CA 1.821 64.085 62.300 -0.061 0.000 1.069 27 V CB -1.501 30.303 31.823 -0.031 0.000 0.659 27 V HN 0.591 8.781 8.190 -0.000 0.000 0.455 28 A N 0.219 123.006 122.820 -0.055 0.000 1.908 28 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 28 A C 2.473 180.041 177.584 -0.027 0.000 1.181 28 A CA 2.371 54.384 52.037 -0.040 0.000 0.627 28 A CB -0.744 18.219 19.000 -0.063 0.000 0.818 28 A HN 0.582 8.732 8.150 -0.000 0.000 0.445 29 S N 0.275 115.955 115.700 -0.033 0.000 2.348 29 S HA -0.182 4.287 4.470 -0.001 0.000 0.221 29 S C 1.815 176.412 174.600 -0.005 0.000 1.033 29 S CA 1.392 59.579 58.200 -0.021 0.000 1.010 29 S CB -0.496 62.689 63.200 -0.025 0.000 0.891 29 S HN 0.689 8.999 8.310 -0.000 0.000 0.442 30 E N 1.583 121.790 120.200 0.011 0.000 2.021 30 E HA -0.201 4.149 4.350 -0.001 0.000 0.200 30 E C 2.328 178.937 176.600 0.016 0.000 1.015 30 E CA 1.050 57.467 56.400 0.029 0.000 0.824 30 E CB -0.350 29.398 29.700 0.081 0.000 0.762 30 E HN 0.413 8.773 8.360 -0.000 0.000 0.454 31 R N 0.688 121.200 120.500 0.020 0.000 2.133 31 R HA -0.202 4.137 4.340 -0.001 0.000 0.247 31 R C 2.553 178.851 176.300 -0.004 0.000 1.151 31 R CA 1.524 57.627 56.100 0.005 0.000 0.971 31 R CB -0.223 30.085 30.300 0.013 0.000 0.866 31 R HN 0.312 8.582 8.270 -0.000 0.000 0.447 32 Q N -0.358 119.440 119.800 -0.003 0.000 2.020 32 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 32 Q C 2.226 178.222 176.000 -0.007 0.000 0.982 32 Q CA 1.966 57.765 55.803 -0.007 0.000 0.838 32 Q CB -0.149 28.583 28.738 -0.010 0.000 0.899 32 Q HN 0.260 8.530 8.270 -0.000 0.000 0.423 33 S N -1.331 114.366 115.700 -0.005 0.000 2.383 33 S HA -0.132 4.338 4.470 -0.001 0.000 0.229 33 S C 1.241 175.836 174.600 -0.008 0.000 1.030 33 S CA 1.832 60.029 58.200 -0.005 0.000 1.002 33 S CB -0.136 63.063 63.200 -0.002 0.000 0.829 33 S HN 0.650 8.960 8.310 -0.000 0.000 0.467 34 G N -0.530 108.263 108.800 -0.012 0.000 2.200 34 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.145 34 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.145 34 G C -0.165 174.717 174.900 -0.030 0.000 1.021 34 G CA -0.185 44.904 45.100 -0.019 0.000 0.720 34 G HN 1.058 9.348 8.290 -0.000 0.000 0.494 35 V N 1.351 121.249 119.914 -0.028 0.000 2.370 35 V HA 0.463 4.583 4.120 -0.001 0.000 0.257 35 V C 0.997 177.040 176.094 -0.086 0.000 1.064 35 V CA -0.128 62.145 62.300 -0.045 0.000 0.975 35 V CB 0.065 31.875 31.823 -0.022 0.000 1.067 35 V HN 0.268 8.458 8.190 -0.000 0.000 0.485 36 T N 7.020 121.493 114.554 -0.134 0.000 2.704 36 T HA 0.185 4.535 4.350 -0.001 0.000 0.271 36 T C -0.005 174.495 174.700 -0.334 0.000 1.000 36 T CA 0.868 62.817 62.100 -0.253 0.000 1.216 36 T CB -0.466 68.199 68.868 -0.338 0.000 0.961 36 T HN 0.514 8.754 8.240 -0.000 0.000 0.515 37 I N 3.884 124.304 120.570 -0.250 0.000 2.377 37 I HA 0.374 4.543 4.170 -0.001 0.000 0.293 37 I C -0.583 175.458 176.117 -0.127 0.000 0.987 37 I CA -0.751 60.463 61.300 -0.144 0.000 1.185 37 I CB 1.044 39.075 38.000 0.052 0.000 1.341 37 I HN 0.496 8.706 8.210 -0.000 0.000 0.455 38 Y N 7.253 127.583 120.300 0.050 0.000 2.409 38 Y HA 0.563 5.113 4.550 -0.000 0.000 0.339 38 Y C -2.315 173.606 175.900 0.036 0.000 1.033 38 Y CA -2.641 55.486 58.100 0.046 0.000 1.094 38 Y CB 1.094 39.577 38.460 0.039 0.000 1.210 38 Y HN 0.356 8.636 8.280 -0.000 0.000 0.456 39 P HA 0.347 4.767 4.420 -0.000 0.000 0.289 39 P C -2.715 174.706 177.300 0.202 0.000 1.300 39 P CA -2.072 61.181 63.100 0.255 0.000 0.828 39 P CB 0.356 32.144 31.700 0.147 0.000 1.235 40 P HA -0.039 4.381 4.420 -0.000 0.000 0.267 40 P C 0.723 178.103 177.300 0.135 0.000 1.201 40 P CA 0.320 63.509 63.100 0.149 0.000 0.775 40 P CB 0.504 32.290 31.700 0.143 0.000 0.854 41 Q N 2.809 122.679 119.800 0.118 0.000 2.124 41 Q HA -0.209 4.130 4.340 -0.001 0.000 0.202 41 Q C 2.099 178.185 176.000 0.143 0.000 0.977 41 Q CA 2.210 58.091 55.803 0.129 0.000 0.850 41 Q CB -0.477 28.319 28.738 0.098 0.000 0.901 41 Q HN 0.524 8.794 8.270 -0.000 0.000 0.429 42 K N -0.742 119.728 120.400 0.117 0.000 2.209 42 K HA -0.154 4.165 4.320 -0.001 0.000 0.204 42 K C 0.707 177.395 176.600 0.146 0.000 1.048 42 K CA 1.645 57.999 56.287 0.112 0.000 0.940 42 K CB -0.049 32.508 32.500 0.096 0.000 0.729 42 K HN 0.162 8.412 8.250 -0.000 0.000 0.451 43 D N 1.130 121.627 120.400 0.163 0.000 2.333 43 D HA -0.010 4.629 4.640 -0.001 0.000 0.208 43 D C 2.010 178.404 176.300 0.156 0.000 0.984 43 D CA 0.357 54.467 54.000 0.183 0.000 0.873 43 D CB 0.143 41.066 40.800 0.205 0.000 0.935 43 D HN 0.039 8.409 8.370 -0.000 0.000 0.521 44 V N 0.980 120.987 119.914 0.154 0.000 2.226 44 V HA -0.281 3.838 4.120 -0.001 0.000 0.254 44 V C 1.545 177.615 176.094 -0.040 0.000 1.065 44 V CA 1.577 63.901 62.300 0.040 0.000 1.039 44 V CB -0.746 31.158 31.823 0.134 0.000 0.653 44 V HN 0.180 8.370 8.190 -0.000 0.000 0.450 45 F N 0.665 120.631 119.950 0.025 0.000 2.949 45 F HA 0.232 4.759 4.527 -0.001 0.000 0.291 45 F C 1.540 177.390 175.800 0.084 0.000 1.214 45 F CA -0.342 57.704 58.000 0.077 0.000 1.381 45 F CB -0.743 38.238 39.000 -0.032 0.000 1.066 45 F HN 0.096 8.396 8.300 -0.000 0.000 0.520 46 N N 1.131 119.930 118.700 0.166 0.000 2.216 46 N HA -0.129 4.611 4.740 -0.001 0.000 0.183 46 N C 2.194 177.666 175.510 -0.064 0.000 1.017 46 N CA 1.081 54.121 53.050 -0.016 0.000 0.861 46 N CB -0.239 38.385 38.487 0.227 0.000 0.986 46 N HN 0.370 8.750 8.380 -0.000 0.000 0.428 47 A N 0.304 123.207 122.820 0.137 0.000 1.883 47 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 47 A C 1.835 179.461 177.584 0.070 0.000 1.186 47 A CA 1.182 53.283 52.037 0.107 0.000 0.624 47 A CB -1.050 17.902 19.000 -0.080 0.000 0.822 47 A HN 0.291 8.441 8.150 -0.000 0.000 0.444 48 F N -0.855 119.108 119.950 0.021 0.000 2.502 48 F HA 0.007 4.533 4.527 -0.001 0.000 0.298 48 F C 2.406 178.249 175.800 0.072 0.000 1.111 48 F CA 1.148 59.170 58.000 0.038 0.000 1.445 48 F CB -0.139 38.779 39.000 -0.137 0.000 1.081 48 F HN 0.119 8.419 8.300 -0.000 0.000 0.558 49 R N -0.206 120.318 120.500 0.040 0.000 2.062 49 R HA -0.080 4.260 4.340 -0.001 0.000 0.229 49 R C 1.482 177.652 176.300 -0.216 0.000 1.128 49 R CA 1.536 57.494 56.100 -0.237 0.000 0.960 49 R CB -0.208 29.682 30.300 -0.685 0.000 0.855 49 R HN 0.210 8.480 8.270 -0.000 0.000 0.432 50 F N -1.360 118.720 119.950 0.217 0.000 2.746 50 F HA 0.234 4.760 4.527 -0.001 0.000 0.297 50 F C 0.373 176.272 175.800 0.166 0.000 1.113 50 F CA 0.153 58.257 58.000 0.172 0.000 1.367 50 F CB 0.478 39.566 39.000 0.147 0.000 1.111 50 F HN -0.268 8.032 8.300 -0.000 0.000 0.590 51 T N 0.733 115.486 114.554 0.331 0.000 3.064 51 T HA 0.235 4.584 4.350 -0.001 0.000 0.367 51 T C -0.249 174.620 174.700 0.282 0.000 1.202 51 T CA -0.501 61.756 62.100 0.261 0.000 1.133 51 T CB 1.031 70.031 68.868 0.220 0.000 1.074 51 T HN -0.174 8.066 8.240 -0.000 0.000 0.519 52 E N 2.253 122.555 120.200 0.170 0.000 2.447 52 E HA 0.135 4.485 4.350 -0.001 0.000 0.259 52 E C 1.155 177.566 176.600 -0.316 0.000 1.196 52 E CA -0.390 56.027 56.400 0.028 0.000 0.995 52 E CB 0.363 30.074 29.700 0.018 0.000 0.974 52 E HN 0.424 8.784 8.360 -0.000 0.000 0.465 53 L N 1.922 122.685 121.223 -0.768 0.000 1.921 53 L HA -0.127 4.213 4.340 -0.001 0.000 0.219 53 L C 1.617 178.239 176.870 -0.414 0.000 1.081 53 L CA 2.256 56.527 54.840 -0.949 0.000 0.771 53 L CB -1.105 40.439 42.059 -0.858 0.000 0.888 53 L HN 0.802 9.032 8.230 -0.000 0.000 0.433 54 G N -0.939 107.698 108.800 -0.272 0.000 2.726 54 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.207 54 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.207 54 G C 0.733 175.572 174.900 -0.102 0.000 1.157 54 G CA 0.828 45.840 45.100 -0.147 0.000 0.787 54 G HN 0.581 8.871 8.290 -0.000 0.000 0.539 55 D N -0.702 119.634 120.400 -0.107 0.000 2.539 55 D HA 0.108 4.747 4.640 -0.001 0.000 0.232 55 D C 0.699 176.972 176.300 -0.045 0.000 1.256 55 D CA -0.177 53.790 54.000 -0.054 0.000 0.810 55 D CB 1.226 42.015 40.800 -0.019 0.000 1.090 55 D HN 0.025 8.395 8.370 -0.000 0.000 0.519 56 V N 1.209 121.080 119.914 -0.073 0.000 2.872 56 V HA 0.036 4.155 4.120 -0.001 0.000 0.307 56 V C 1.415 177.475 176.094 -0.058 0.000 1.072 56 V CA 0.663 62.929 62.300 -0.057 0.000 1.148 56 V CB 1.821 33.593 31.823 -0.085 0.000 0.954 56 V HN -0.013 8.177 8.190 -0.000 0.000 0.490 57 K N 1.676 122.043 120.400 -0.055 0.000 2.625 57 K HA 0.337 4.656 4.320 -0.001 0.000 0.202 57 K C -0.469 176.094 176.600 -0.061 0.000 1.412 57 K CA 0.131 56.394 56.287 -0.040 0.000 0.989 57 K CB 1.138 33.614 32.500 -0.039 0.000 1.682 57 K HN 0.475 8.725 8.250 -0.000 0.000 0.496 58 V N 1.972 121.855 119.914 -0.051 0.000 2.919 58 V HA 0.487 4.606 4.120 -0.001 0.000 0.316 58 V C -0.639 175.406 176.094 -0.081 0.000 1.077 58 V CA -0.915 61.355 62.300 -0.050 0.000 0.977 58 V CB 2.199 34.083 31.823 0.102 0.000 1.039 58 V HN -0.094 8.096 8.190 -0.000 0.000 0.441 59 V N 3.290 123.130 119.914 -0.123 0.000 2.567 59 V HA 0.532 4.652 4.120 -0.001 0.000 0.298 59 V C -0.788 175.295 176.094 -0.020 0.000 1.047 59 V CA -0.224 62.041 62.300 -0.059 0.000 0.880 59 V CB 1.556 33.305 31.823 -0.123 0.000 1.009 59 V HN 0.699 8.889 8.190 -0.000 0.000 0.429 60 I N 5.599 126.181 120.570 0.020 0.000 2.389 60 I HA 0.486 4.656 4.170 -0.001 0.000 0.288 60 I C -0.869 175.325 176.117 0.128 0.000 0.999 60 I CA -0.580 60.692 61.300 -0.046 0.000 1.129 60 I CB 1.816 39.798 38.000 -0.030 0.000 1.288 60 I HN 0.366 8.576 8.210 -0.000 0.000 0.444 61 L N 5.435 126.730 121.223 0.120 0.000 2.325 61 L HA 0.745 5.084 4.340 -0.001 0.000 0.279 61 L C 0.636 177.658 176.870 0.254 0.000 1.054 61 L CA 0.098 55.034 54.840 0.160 0.000 0.804 61 L CB 1.500 43.622 42.059 0.106 0.000 1.200 61 L HN 0.646 8.876 8.230 -0.000 0.000 0.436 62 G N 0.866 109.722 108.800 0.093 0.000 2.498 62 G HA2 0.569 4.528 3.960 -0.001 0.000 0.312 62 G HA3 0.569 4.528 3.960 -0.001 0.000 0.312 62 G C -0.337 174.553 174.900 -0.016 0.000 1.230 62 G CA -0.341 44.715 45.100 -0.074 0.000 0.968 62 G HN 0.631 8.921 8.290 -0.000 0.000 0.481 63 Q N 0.044 119.815 119.800 -0.049 0.000 2.050 63 Q HA 0.151 4.490 4.340 -0.001 0.000 0.200 63 Q C -0.359 175.549 176.000 -0.152 0.000 0.988 63 Q CA 0.376 56.153 55.803 -0.043 0.000 0.845 63 Q CB 0.245 28.834 28.738 -0.249 0.000 0.917 63 Q HN 0.538 8.808 8.270 -0.000 0.000 0.481 64 D N 1.832 122.053 120.400 -0.298 0.000 2.163 64 D HA 0.245 4.885 4.640 -0.001 0.000 0.248 64 D C -2.392 173.710 176.300 -0.330 0.000 1.035 64 D CA -1.665 52.147 54.000 -0.313 0.000 0.872 64 D CB 1.380 41.873 40.800 -0.512 0.000 1.183 64 D HN 0.017 8.387 8.370 -0.000 0.000 0.445 65 P HA 0.053 4.473 4.420 -0.000 0.000 0.274 65 P C -0.806 176.337 177.300 -0.262 0.000 1.237 65 P CA -0.374 62.518 63.100 -0.347 0.000 0.793 65 P CB 0.405 31.968 31.700 -0.228 0.000 0.977 66 Y N 1.398 121.583 120.300 -0.192 0.000 2.784 66 Y HA -0.021 4.529 4.550 -0.001 0.000 0.355 66 Y C 2.068 177.763 175.900 -0.341 0.000 1.198 66 Y CA 0.490 58.400 58.100 -0.316 0.000 1.588 66 Y CB -1.221 37.052 38.460 -0.312 0.000 1.220 66 Y HN 0.494 8.774 8.280 -0.000 0.000 0.517 67 H N 0.066 119.188 119.070 0.087 0.000 2.561 67 H HA 0.131 4.687 4.556 -0.001 0.000 0.278 67 H C 1.109 176.485 175.328 0.081 0.000 1.014 67 H CA 0.137 56.268 56.048 0.138 0.000 1.211 67 H CB -0.027 29.792 29.762 0.095 0.000 1.365 67 H HN 0.563 8.843 8.280 -0.000 0.000 0.594 68 G N 1.280 109.836 108.800 -0.406 0.000 2.425 68 G HA2 0.363 4.323 3.960 -0.001 0.000 0.302 68 G HA3 0.363 4.323 3.960 -0.001 0.000 0.302 68 G C -2.423 172.141 174.900 -0.560 0.000 1.159 68 G CA -1.759 43.162 45.100 -0.297 0.000 0.865 68 G HN 0.123 8.413 8.290 -0.000 0.000 0.515 69 P HA 0.055 4.475 4.420 -0.000 0.000 0.268 69 P C 1.177 178.324 177.300 -0.255 0.000 1.208 69 P CA 1.168 64.101 63.100 -0.278 0.000 0.777 69 P CB 0.796 32.506 31.700 0.015 0.000 0.875 70 G N 1.509 110.207 108.800 -0.171 0.000 2.366 70 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.263 70 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.263 70 G C 1.097 175.933 174.900 -0.106 0.000 0.986 70 G CA 1.064 46.104 45.100 -0.101 0.000 0.632 70 G HN 0.596 8.886 8.290 -0.000 0.000 0.555 71 Q N 0.453 120.145 119.800 -0.179 0.000 1.896 71 Q HA 0.365 4.705 4.340 -0.001 0.000 0.205 71 Q C 2.096 178.160 176.000 0.107 0.000 0.978 71 Q CA 0.740 56.484 55.803 -0.098 0.000 0.850 71 Q CB -0.218 28.362 28.738 -0.263 0.000 0.908 71 Q HN 0.889 9.159 8.270 -0.000 0.000 0.431 72 A N 1.392 124.267 122.820 0.091 0.000 2.507 72 A HA 0.047 4.367 4.320 -0.001 0.000 0.235 72 A C 0.040 177.756 177.584 0.220 0.000 1.070 72 A CA 0.868 52.992 52.037 0.144 0.000 0.768 72 A CB -0.232 18.780 19.000 0.019 0.000 1.011 72 A HN 0.760 8.910 8.150 -0.000 0.000 0.502 73 H N -1.532 117.592 119.070 0.089 0.000 3.427 73 H HA 0.449 5.004 4.556 -0.001 0.000 0.262 73 H C 0.613 176.031 175.328 0.150 0.000 1.148 73 H CA 0.348 56.475 56.048 0.131 0.000 1.048 73 H CB -0.253 29.614 29.762 0.175 0.000 2.325 73 H HN 1.673 9.953 8.280 -0.000 0.000 0.768 74 G N 0.710 109.421 108.800 -0.147 0.000 2.339 74 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.209 74 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.209 74 G C -0.152 174.652 174.900 -0.159 0.000 1.015 74 G CA -0.078 44.961 45.100 -0.102 0.000 0.635 74 G HN 0.288 8.578 8.290 -0.000 0.000 0.499 75 L N 1.695 122.726 121.223 -0.320 0.000 2.295 75 L HA 0.788 5.127 4.340 -0.001 0.000 0.285 75 L C 1.076 177.841 176.870 -0.176 0.000 1.035 75 L CA -0.581 54.161 54.840 -0.163 0.000 0.806 75 L CB 1.637 43.661 42.059 -0.058 0.000 1.214 75 L HN 0.391 8.621 8.230 -0.000 0.000 0.426 76 A N 2.433 125.199 122.820 -0.089 0.000 2.565 76 A HA 0.223 4.543 4.320 -0.001 0.000 0.237 76 A C 0.619 178.212 177.584 0.016 0.000 1.053 76 A CA 0.304 52.235 52.037 -0.176 0.000 0.755 76 A CB -0.592 18.388 19.000 -0.034 0.000 0.980 76 A HN 0.831 8.981 8.150 -0.000 0.000 0.506 77 F N 0.397 120.294 119.950 -0.088 0.000 2.631 77 F HA -0.248 4.278 4.527 -0.001 0.000 0.563 77 F C 1.409 177.288 175.800 0.132 0.000 0.513 77 F CA 1.614 59.642 58.000 0.046 0.000 0.871 77 F CB -1.678 37.379 39.000 0.094 0.000 1.668 77 F HN 0.570 8.870 8.300 -0.000 0.000 0.260 78 S N 1.260 117.081 115.700 0.202 0.000 2.498 78 S HA 0.470 4.940 4.470 -0.001 0.000 0.281 78 S C 0.019 174.873 174.600 0.424 0.000 1.265 78 S CA -0.116 58.242 58.200 0.263 0.000 1.071 78 S CB 0.245 63.592 63.200 0.245 0.000 0.894 78 S HN 0.295 8.605 8.310 -0.000 0.000 0.491 79 V N 4.168 124.323 119.914 0.401 0.000 2.975 79 V HA 0.624 4.744 4.120 -0.001 0.000 0.318 79 V C 0.579 176.848 176.094 0.291 0.000 1.077 79 V CA -1.315 61.183 62.300 0.329 0.000 1.000 79 V CB 1.123 32.997 31.823 0.086 0.000 1.066 79 V HN 0.779 8.969 8.190 -0.000 0.000 0.452 80 R N 1.279 121.854 120.500 0.125 0.000 2.649 80 R HA 0.396 4.736 4.340 -0.001 0.000 0.270 80 R C -2.476 173.779 176.300 -0.076 0.000 1.105 80 R CA -1.606 54.444 56.100 -0.082 0.000 1.193 80 R CB 0.571 30.784 30.300 -0.146 0.000 1.120 80 R HN 0.546 8.816 8.270 -0.000 0.000 0.561 81 P HA 0.116 4.536 4.420 -0.000 0.000 0.276 81 P C 0.043 177.280 177.300 -0.105 0.000 1.243 81 P CA 0.402 63.407 63.100 -0.159 0.000 0.768 81 P CB 1.157 32.663 31.700 -0.324 0.000 0.856 82 G N 3.581 112.355 108.800 -0.043 0.000 2.493 82 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.206 82 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.206 82 G C -0.027 174.852 174.900 -0.034 0.000 1.109 82 G CA -0.541 44.535 45.100 -0.040 0.000 0.689 82 G HN 0.462 8.752 8.290 -0.000 0.000 0.516 83 I N 3.521 124.064 120.570 -0.045 0.000 2.872 83 I HA 0.383 4.553 4.170 -0.001 0.000 0.287 83 I C 1.556 177.637 176.117 -0.059 0.000 1.197 83 I CA -0.044 61.219 61.300 -0.062 0.000 1.390 83 I CB -0.554 37.407 38.000 -0.066 0.000 1.400 83 I HN 0.691 8.901 8.210 -0.000 0.000 0.544 84 A N 8.085 130.861 122.820 -0.074 0.000 2.567 84 A HA 0.072 4.392 4.320 -0.001 0.000 0.240 84 A C 0.718 178.240 177.584 -0.102 0.000 1.053 84 A CA -0.244 51.752 52.037 -0.069 0.000 0.755 84 A CB -0.376 18.581 19.000 -0.070 0.000 0.978 84 A HN 0.647 8.797 8.150 -0.000 0.000 0.507 85 I N 4.695 125.223 120.570 -0.071 0.000 2.948 85 I HA -0.019 4.150 4.170 -0.001 0.000 0.284 85 I C -1.781 174.253 176.117 -0.139 0.000 1.181 85 I CA -0.698 60.538 61.300 -0.107 0.000 1.372 85 I CB -0.204 37.751 38.000 -0.074 0.000 1.443 85 I HN 0.420 8.630 8.210 -0.000 0.000 0.554 86 P HA 0.058 4.478 4.420 -0.000 0.000 0.266 86 P C -1.802 175.437 177.300 -0.102 0.000 1.215 86 P CA -0.979 62.013 63.100 -0.179 0.000 0.763 86 P CB 0.116 31.634 31.700 -0.304 0.000 0.806 87 P HA -0.362 4.058 4.420 -0.000 0.000 0.232 87 P C 1.387 178.629 177.300 -0.096 0.000 1.135 87 P CA 2.020 65.086 63.100 -0.057 0.000 0.969 87 P CB -0.353 31.329 31.700 -0.030 0.000 0.777 88 S N -0.974 114.685 115.700 -0.068 0.000 2.392 88 S HA -0.216 4.254 4.470 -0.001 0.000 0.225 88 S C 1.831 176.295 174.600 -0.227 0.000 1.041 88 S CA 1.513 59.635 58.200 -0.132 0.000 1.100 88 S CB -1.314 61.949 63.200 0.106 0.000 1.029 88 S HN 0.027 8.337 8.310 -0.000 0.000 0.424 89 L N 1.485 122.627 121.223 -0.134 0.000 1.997 89 L HA -0.137 4.202 4.340 -0.001 0.000 0.216 89 L C 2.279 178.912 176.870 -0.395 0.000 1.074 89 L CA 1.599 56.259 54.840 -0.301 0.000 0.763 89 L CB -1.324 40.522 42.059 -0.355 0.000 0.890 89 L HN 0.332 8.562 8.230 -0.000 0.000 0.434 90 L N 0.081 121.133 121.223 -0.285 0.000 1.991 90 L HA -0.319 4.020 4.340 -0.001 0.000 0.221 90 L C 2.190 179.065 176.870 0.008 0.000 1.079 90 L CA 2.209 56.983 54.840 -0.110 0.000 0.778 90 L CB -1.162 40.885 42.059 -0.020 0.000 0.893 90 L HN 0.403 8.633 8.230 -0.000 0.000 0.437 91 N N -1.143 117.502 118.700 -0.090 0.000 2.272 91 N HA -0.175 4.565 4.740 -0.001 0.000 0.185 91 N C 1.703 177.067 175.510 -0.244 0.000 1.014 91 N CA 1.879 54.854 53.050 -0.124 0.000 0.870 91 N CB -0.323 37.824 38.487 -0.567 0.000 0.975 91 N HN 0.483 8.863 8.380 -0.000 0.000 0.433 92 M N -1.138 118.313 119.600 -0.248 0.000 2.156 92 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 92 M C 1.326 177.742 176.300 0.193 0.000 1.067 92 M CA 0.952 56.260 55.300 0.013 0.000 1.131 92 M CB -0.332 32.241 32.600 -0.046 0.000 1.368 92 M HN 0.047 8.337 8.290 -0.000 0.000 0.416 93 Y N 1.694 121.991 120.300 -0.004 0.000 2.081 93 Y HA -0.268 4.281 4.550 -0.001 0.000 0.280 93 Y C 2.387 178.322 175.900 0.058 0.000 1.163 93 Y CA 1.456 59.576 58.100 0.034 0.000 1.135 93 Y CB -0.981 37.572 38.460 0.154 0.000 0.970 93 Y HN 0.190 8.470 8.280 -0.000 0.000 0.498 94 K N -0.168 120.453 120.400 0.369 0.000 1.978 94 K HA -0.269 4.051 4.320 -0.001 0.000 0.214 94 K C 2.018 178.815 176.600 0.328 0.000 1.049 94 K CA 1.839 58.329 56.287 0.338 0.000 0.939 94 K CB -0.420 32.317 32.500 0.395 0.000 0.721 94 K HN 0.146 8.396 8.250 -0.000 0.000 0.441 95 E N 1.385 121.912 120.200 0.545 0.000 2.169 95 E HA -0.231 4.118 4.350 -0.001 0.000 0.202 95 E C 1.752 178.503 176.600 0.251 0.000 1.016 95 E CA 1.384 58.061 56.400 0.462 0.000 0.817 95 E CB -0.325 29.624 29.700 0.416 0.000 0.736 95 E HN 0.264 8.624 8.360 -0.000 0.000 0.462 96 L N -0.043 121.250 121.223 0.117 0.000 1.988 96 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 96 L C 2.673 179.427 176.870 -0.193 0.000 1.071 96 L CA 1.915 56.599 54.840 -0.259 0.000 0.744 96 L CB -0.424 40.958 42.059 -1.128 0.000 0.893 96 L HN 0.204 8.434 8.230 -0.000 0.000 0.433 97 E N 0.155 120.305 120.200 -0.083 0.000 2.086 97 E HA -0.264 4.086 4.350 -0.001 0.000 0.200 97 E C 1.873 178.561 176.600 0.146 0.000 1.012 97 E CA 1.989 58.518 56.400 0.215 0.000 0.812 97 E CB -0.083 29.780 29.700 0.272 0.000 0.743 97 E HN 0.520 8.880 8.360 -0.000 0.000 0.453 98 N N -0.862 117.908 118.700 0.117 0.000 2.058 98 N HA -0.160 4.579 4.740 -0.001 0.000 0.191 98 N C 2.076 177.639 175.510 0.087 0.000 1.037 98 N CA 1.767 54.873 53.050 0.093 0.000 0.848 98 N CB -0.248 38.292 38.487 0.089 0.000 1.021 98 N HN 0.280 8.660 8.380 -0.000 0.000 0.422 99 T N -0.275 114.337 114.554 0.095 0.000 2.814 99 T HA 0.112 4.461 4.350 -0.001 0.000 0.254 99 T C 1.090 175.854 174.700 0.108 0.000 1.037 99 T CA 0.200 62.354 62.100 0.089 0.000 1.143 99 T CB -0.491 68.426 68.868 0.082 0.000 0.866 99 T HN -0.001 8.239 8.240 -0.000 0.000 0.431 100 I N 3.961 124.606 120.570 0.125 0.000 2.529 100 I HA 0.290 4.460 4.170 -0.001 0.000 0.284 100 I C -2.323 173.891 176.117 0.162 0.000 1.082 100 I CA -2.503 58.891 61.300 0.156 0.000 1.406 100 I CB 0.831 38.947 38.000 0.193 0.000 1.405 100 I HN 0.172 8.382 8.210 -0.000 0.000 0.548 101 P HA 0.222 4.642 4.420 -0.000 0.000 0.282 101 P C 0.658 178.043 177.300 0.142 0.000 1.249 101 P CA 0.007 63.181 63.100 0.124 0.000 0.806 101 P CB 1.253 33.006 31.700 0.088 0.000 0.984 102 G N 1.171 110.045 108.800 0.124 0.000 2.234 102 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.260 102 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.260 102 G C 0.009 174.977 174.900 0.113 0.000 0.987 102 G CA -0.202 44.956 45.100 0.097 0.000 0.625 102 G HN 0.548 8.838 8.290 -0.000 0.000 0.532 103 F N 2.390 122.361 119.950 0.035 0.000 2.538 103 F HA 0.555 5.081 4.527 -0.001 0.000 0.371 103 F C 0.568 176.362 175.800 -0.009 0.000 1.087 103 F CA 1.090 59.101 58.000 0.020 0.000 1.250 103 F CB 1.285 40.311 39.000 0.043 0.000 1.110 103 F HN 0.052 8.352 8.300 -0.000 0.000 0.570 104 T N 6.738 121.007 114.554 -0.474 0.000 2.928 104 T HA 0.347 4.697 4.350 -0.001 0.000 0.296 104 T C -0.560 173.836 174.700 -0.506 0.000 1.000 104 T CA -0.800 61.154 62.100 -0.244 0.000 0.989 104 T CB 0.475 69.250 68.868 -0.154 0.000 1.005 104 T HN 0.683 8.923 8.240 -0.000 0.000 0.442 105 R N 5.388 125.759 120.500 -0.216 0.000 3.150 105 R HA -0.059 4.280 4.340 -0.001 0.000 0.279 105 R C -1.607 174.426 176.300 -0.445 0.000 0.742 105 R CA -0.282 55.634 56.100 -0.305 0.000 1.080 105 R CB 0.239 30.533 30.300 -0.010 0.000 0.918 105 R HN 0.492 8.762 8.270 -0.000 0.000 0.386 106 P HA -0.230 4.190 4.420 -0.000 0.000 0.216 106 P C -0.078 177.084 177.300 -0.230 0.000 1.157 106 P CA 1.673 64.447 63.100 -0.545 0.000 0.880 106 P CB 0.050 31.263 31.700 -0.812 0.000 0.791 107 N N -3.509 115.156 118.700 -0.059 0.000 2.937 107 N HA -0.168 4.572 4.740 -0.001 0.000 0.248 107 N C -0.961 174.648 175.510 0.166 0.000 1.069 107 N CA 0.861 53.963 53.050 0.086 0.000 0.822 107 N CB -2.210 36.312 38.487 0.058 0.000 1.122 107 N HN 0.523 8.903 8.380 -0.000 0.000 0.554 108 H N -4.125 115.053 119.070 0.180 0.000 3.042 108 H HA 0.561 5.117 4.556 -0.001 0.000 0.345 108 H C 0.787 176.233 175.328 0.196 0.000 1.052 108 H CA -0.556 55.575 56.048 0.138 0.000 1.311 108 H CB 1.159 30.985 29.762 0.106 0.000 1.810 108 H HN 0.073 8.353 8.280 -0.000 0.000 0.505 109 G N 1.900 110.832 108.800 0.220 0.000 3.279 109 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.230 109 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.230 109 G C -0.642 174.413 174.900 0.259 0.000 1.230 109 G CA -0.098 45.080 45.100 0.130 0.000 0.891 109 G HN 0.581 8.871 8.290 -0.000 0.000 0.518 110 Y N 1.375 121.833 120.300 0.264 0.000 2.539 110 Y HA 0.410 4.959 4.550 -0.001 0.000 0.352 110 Y C 0.481 176.465 175.900 0.140 0.000 1.004 110 Y CA -1.398 56.814 58.100 0.186 0.000 1.278 110 Y CB 0.490 38.997 38.460 0.078 0.000 1.136 110 Y HN 0.028 8.308 8.280 -0.000 0.000 0.528 111 L N 5.917 127.010 121.223 -0.217 0.000 3.108 111 L HA 0.299 4.639 4.340 -0.001 0.000 0.251 111 L C 1.455 178.091 176.870 -0.392 0.000 1.315 111 L CA -0.024 54.569 54.840 -0.412 0.000 1.048 111 L CB 0.174 41.970 42.059 -0.439 0.000 1.432 111 L HN 0.586 8.816 8.230 -0.000 0.000 0.543 112 E N 1.126 120.866 120.200 -0.766 0.000 2.107 112 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 112 E C 1.955 178.390 176.600 -0.276 0.000 0.982 112 E CA 1.428 57.470 56.400 -0.597 0.000 0.809 112 E CB 0.380 29.550 29.700 -0.883 0.000 0.756 112 E HN 0.646 9.006 8.360 -0.000 0.000 0.459 113 S N -0.078 115.512 115.700 -0.183 0.000 2.440 113 S HA -0.162 4.307 4.470 -0.001 0.000 0.238 113 S C 1.566 176.306 174.600 0.233 0.000 1.010 113 S CA 0.842 59.065 58.200 0.038 0.000 0.972 113 S CB -0.566 62.697 63.200 0.106 0.000 0.774 113 S HN 0.327 8.637 8.310 -0.000 0.000 0.501 114 W N 2.029 123.321 121.300 -0.012 0.000 2.407 114 W HA 0.387 5.047 4.660 -0.001 0.000 0.305 114 W C 2.966 179.500 176.519 0.025 0.000 1.196 114 W CA -0.304 57.062 57.345 0.036 0.000 1.311 114 W CB -1.335 28.233 29.460 0.180 0.000 1.135 114 W HN 0.388 8.568 8.180 -0.000 0.000 0.514 115 A N 0.184 123.166 122.820 0.271 0.000 2.067 115 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 115 A C 1.870 179.555 177.584 0.167 0.000 1.158 115 A CA 1.022 53.190 52.037 0.219 0.000 0.661 115 A CB -0.400 18.750 19.000 0.250 0.000 0.801 115 A HN 0.015 8.165 8.150 -0.000 0.000 0.452 116 R N 0.103 120.663 120.500 0.101 0.000 2.313 116 R HA 0.052 4.391 4.340 -0.001 0.000 0.199 116 R C 1.078 177.415 176.300 0.061 0.000 0.958 116 R CA 0.565 56.714 56.100 0.081 0.000 1.047 116 R CB -0.277 30.038 30.300 0.025 0.000 0.955 116 R HN 0.767 9.037 8.270 -0.000 0.000 0.481 117 Q N -1.077 118.753 119.800 0.050 0.000 2.352 117 Q HA 0.214 4.554 4.340 -0.001 0.000 0.212 117 Q C 0.492 176.481 176.000 -0.018 0.000 0.888 117 Q CA 0.624 56.416 55.803 -0.018 0.000 0.934 117 Q CB 1.071 29.744 28.738 -0.107 0.000 1.093 117 Q HN 0.352 8.622 8.270 -0.000 0.000 0.523 118 G N 0.925 109.746 108.800 0.034 0.000 2.148 118 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.157 118 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.157 118 G C -0.175 174.749 174.900 0.039 0.000 1.012 118 G CA -0.360 44.759 45.100 0.032 0.000 0.677 118 G HN 0.126 8.416 8.290 -0.000 0.000 0.506 119 V N 1.227 121.190 119.914 0.081 0.000 2.407 119 V HA 0.647 4.767 4.120 -0.001 0.000 0.278 119 V C 0.426 176.621 176.094 0.168 0.000 1.037 119 V CA -0.740 61.635 62.300 0.125 0.000 0.900 119 V CB 1.629 33.577 31.823 0.208 0.000 0.983 119 V HN 0.396 8.586 8.190 -0.000 0.000 0.459 120 L N 6.927 128.226 121.223 0.125 0.000 2.255 120 L HA 0.455 4.795 4.340 -0.001 0.000 0.289 120 L C -0.188 176.754 176.870 0.121 0.000 1.046 120 L CA 0.235 55.139 54.840 0.108 0.000 0.816 120 L CB 0.624 42.723 42.059 0.066 0.000 1.197 120 L HN 0.552 8.782 8.230 -0.000 0.000 0.427 121 L N 6.813 128.124 121.223 0.147 0.000 2.389 121 L HA 0.297 4.637 4.340 -0.001 0.000 0.265 121 L C -0.401 176.502 176.870 0.054 0.000 1.167 121 L CA -0.258 54.686 54.840 0.172 0.000 1.045 121 L CB 0.247 42.444 42.059 0.230 0.000 1.351 121 L HN 0.527 8.757 8.230 -0.000 0.000 0.419 122 L N 3.149 124.386 121.223 0.023 0.000 2.255 122 L HA 0.364 4.703 4.340 -0.001 0.000 0.289 122 L C 0.036 176.884 176.870 -0.037 0.000 1.046 122 L CA -0.089 54.720 54.840 -0.051 0.000 0.816 122 L CB 0.452 42.459 42.059 -0.085 0.000 1.197 122 L HN 0.397 8.627 8.230 -0.000 0.000 0.427 123 N N 2.847 121.487 118.700 -0.101 0.000 2.470 123 N HA 0.052 4.792 4.740 -0.001 0.000 0.268 123 N C 1.242 176.717 175.510 -0.060 0.000 1.136 123 N CA 0.607 53.582 53.050 -0.125 0.000 0.961 123 N CB 1.660 40.006 38.487 -0.234 0.000 1.067 123 N HN 0.774 9.154 8.380 -0.000 0.000 0.468 124 T N -0.792 113.781 114.554 0.031 0.000 2.699 124 T HA -0.147 4.203 4.350 -0.001 0.000 0.268 124 T C 1.071 175.836 174.700 0.109 0.000 1.036 124 T CA 0.923 63.086 62.100 0.104 0.000 1.147 124 T CB -0.131 68.869 68.868 0.221 0.000 0.862 124 T HN 0.276 8.516 8.240 -0.000 0.000 0.446 125 V N 2.071 122.013 119.914 0.047 0.000 2.427 125 V HA 0.443 4.563 4.120 -0.001 0.000 0.286 125 V C 0.801 176.661 176.094 -0.390 0.000 1.034 125 V CA -0.998 61.307 62.300 0.008 0.000 0.893 125 V CB 1.120 33.041 31.823 0.164 0.000 0.982 125 V HN 0.470 8.660 8.190 -0.000 0.000 0.452 126 L N 5.181 125.731 121.223 -1.122 0.000 2.509 126 L HA 0.196 4.536 4.340 -0.001 0.000 0.222 126 L C 0.882 177.260 176.870 -0.819 0.000 1.123 126 L CA 1.059 55.148 54.840 -1.252 0.000 0.856 126 L CB -0.280 40.533 42.059 -2.077 0.000 0.985 126 L HN 0.956 9.186 8.230 -0.000 0.000 0.456 127 T N -3.882 110.364 114.554 -0.513 0.000 2.816 127 T HA 0.641 4.991 4.350 -0.001 0.000 0.299 127 T C -0.715 174.136 174.700 0.251 0.000 1.230 127 T CA -0.628 61.486 62.100 0.025 0.000 1.007 127 T CB 2.820 71.876 68.868 0.314 0.000 1.289 127 T HN -0.200 8.040 8.240 -0.000 0.000 0.508 128 V N -0.660 119.401 119.914 0.244 0.000 3.258 128 V HA 0.681 4.801 4.120 -0.001 0.000 0.298 128 V C -1.770 174.184 176.094 -0.234 0.000 1.489 128 V CA -1.199 61.097 62.300 -0.007 0.000 1.062 128 V CB 2.340 34.185 31.823 0.037 0.000 1.116 128 V HN 1.083 9.273 8.190 -0.000 0.000 0.464 129 R N 1.587 121.893 120.500 -0.324 0.000 2.387 129 R HA 0.764 5.103 4.340 -0.001 0.000 0.314 129 R C -0.022 176.269 176.300 -0.015 0.000 0.958 129 R CA 0.064 56.024 56.100 -0.232 0.000 0.846 129 R CB 1.668 31.792 30.300 -0.294 0.000 1.147 129 R HN 1.102 9.372 8.270 -0.000 0.000 0.447 130 A N 1.727 124.554 122.820 0.011 0.000 2.624 130 A HA 0.197 4.517 4.320 -0.001 0.000 0.231 130 A C 1.473 179.147 177.584 0.150 0.000 1.034 130 A CA 1.258 53.419 52.037 0.208 0.000 0.754 130 A CB -0.468 18.543 19.000 0.018 0.000 0.953 130 A HN 1.024 9.174 8.150 -0.000 0.000 0.509 131 G N 0.655 109.601 108.800 0.242 0.000 2.530 131 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.247 131 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.247 131 G C 0.441 175.304 174.900 -0.061 0.000 1.067 131 G CA 0.910 46.072 45.100 0.103 0.000 0.650 131 G HN 1.078 9.368 8.290 -0.000 0.000 0.531 132 Q N 1.473 121.245 119.800 -0.047 0.000 2.423 132 Q HA 0.584 4.923 4.340 -0.001 0.000 0.235 132 Q C 0.514 176.436 176.000 -0.131 0.000 1.100 132 Q CA 0.215 55.965 55.803 -0.087 0.000 0.908 132 Q CB 1.080 29.781 28.738 -0.062 0.000 1.312 132 Q HN 0.738 9.008 8.270 -0.000 0.000 0.497 133 A N 2.638 125.318 122.820 -0.233 0.000 2.520 133 A HA -0.013 4.306 4.320 -0.001 0.000 0.245 133 A C 0.503 178.095 177.584 0.013 0.000 1.072 133 A CA 0.155 52.056 52.037 -0.226 0.000 0.761 133 A CB -0.022 18.836 19.000 -0.236 0.000 1.004 133 A HN 0.896 9.046 8.150 -0.000 0.000 0.499 134 H N 1.032 120.074 119.070 -0.046 0.000 3.179 134 H HA -0.224 4.332 4.556 -0.001 0.000 0.250 134 H C 1.860 177.198 175.328 0.015 0.000 1.142 134 H CA 1.342 57.382 56.048 -0.013 0.000 1.165 134 H CB -1.586 28.155 29.762 -0.034 0.000 1.253 134 H HN 1.027 9.307 8.280 -0.000 0.000 0.325 135 S N -0.896 114.851 115.700 0.078 0.000 2.440 135 S HA -0.145 4.325 4.470 -0.001 0.000 0.238 135 S C 1.309 175.995 174.600 0.143 0.000 1.010 135 S CA 1.608 59.834 58.200 0.042 0.000 0.972 135 S CB -0.302 62.849 63.200 -0.082 0.000 0.774 135 S HN 0.753 9.063 8.310 -0.000 0.000 0.501 136 H N 0.765 119.914 119.070 0.132 0.000 2.505 136 H HA 0.607 5.162 4.556 -0.001 0.000 0.286 136 H C 0.967 176.429 175.328 0.223 0.000 1.072 136 H CA -0.400 55.752 56.048 0.173 0.000 1.141 136 H CB 0.289 30.184 29.762 0.221 0.000 1.550 136 H HN 0.539 8.819 8.280 -0.000 0.000 0.547 137 A N 0.021 123.026 122.820 0.308 0.000 2.327 137 A HA 0.196 4.516 4.320 -0.001 0.000 0.255 137 A C 1.279 178.979 177.584 0.193 0.000 1.099 137 A CA 0.197 52.392 52.037 0.262 0.000 0.801 137 A CB 0.110 19.250 19.000 0.234 0.000 1.062 137 A HN 0.429 8.579 8.150 -0.000 0.000 0.496 138 S N -1.463 114.341 115.700 0.173 0.000 3.319 138 S HA -0.157 4.313 4.470 -0.001 0.000 0.319 138 S C 0.764 175.418 174.600 0.090 0.000 1.236 138 S CA 1.059 59.331 58.200 0.119 0.000 0.964 138 S CB -1.357 61.894 63.200 0.084 0.000 1.040 138 S HN 0.707 9.017 8.310 -0.000 0.000 0.620 139 L N -0.638 120.641 121.223 0.092 0.000 2.567 139 L HA 0.278 4.617 4.340 -0.001 0.000 0.225 139 L C 1.645 178.476 176.870 -0.065 0.000 1.119 139 L CA 1.249 56.078 54.840 -0.018 0.000 0.871 139 L CB -0.210 41.791 42.059 -0.097 0.000 1.036 139 L HN 0.648 8.878 8.230 -0.000 0.000 0.459 140 G N -1.547 107.286 108.800 0.055 0.000 2.380 140 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.197 140 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.197 140 G C 0.552 175.619 174.900 0.278 0.000 1.001 140 G CA 0.096 45.287 45.100 0.151 0.000 0.668 140 G HN 0.368 8.658 8.290 -0.000 0.000 0.483 141 W N 0.971 122.401 121.300 0.216 0.000 2.301 141 W HA 0.045 4.704 4.660 -0.001 0.000 0.325 141 W C 2.478 179.172 176.519 0.291 0.000 1.250 141 W CA 1.570 59.071 57.345 0.260 0.000 1.261 141 W CB -0.148 29.406 29.460 0.157 0.000 1.157 141 W HN 0.372 8.552 8.180 -0.000 0.000 0.473 142 E N -0.256 120.221 120.200 0.461 0.000 2.136 142 E HA -0.256 4.094 4.350 -0.001 0.000 0.202 142 E C 1.886 178.650 176.600 0.273 0.000 1.019 142 E CA 2.780 59.365 56.400 0.307 0.000 0.819 142 E CB -0.567 29.274 29.700 0.235 0.000 0.739 142 E HN 0.125 8.485 8.360 -0.000 0.000 0.458 143 T N -0.156 114.583 114.554 0.308 0.000 2.788 143 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 143 T C 1.459 176.415 174.700 0.427 0.000 1.044 143 T CA 1.179 63.435 62.100 0.260 0.000 1.139 143 T CB -0.394 68.569 68.868 0.158 0.000 0.867 143 T HN 0.194 8.434 8.240 -0.000 0.000 0.454 144 F N 2.777 123.005 119.950 0.464 0.000 2.098 144 F HA -0.066 4.461 4.527 -0.000 0.000 0.294 144 F C 2.586 178.546 175.800 0.268 0.000 1.107 144 F CA 1.556 59.786 58.000 0.385 0.000 1.234 144 F CB -1.074 38.199 39.000 0.454 0.000 1.002 144 F HN 0.197 8.497 8.300 -0.000 0.000 0.472 145 T N -2.490 112.165 114.554 0.169 0.000 2.977 145 T HA -0.143 4.207 4.350 -0.001 0.000 0.271 145 T C 1.608 176.306 174.700 -0.002 0.000 1.105 145 T CA 1.333 63.441 62.100 0.013 0.000 1.116 145 T CB -0.481 68.458 68.868 0.119 0.000 0.878 145 T HN 0.212 8.452 8.240 -0.000 0.000 0.509 146 D N 1.254 121.681 120.400 0.045 0.000 2.137 146 D HA 0.025 4.664 4.640 -0.001 0.000 0.202 146 D C 2.117 178.416 176.300 -0.002 0.000 0.970 146 D CA 0.954 54.963 54.000 0.016 0.000 0.837 146 D CB -0.096 40.721 40.800 0.027 0.000 0.981 146 D HN 0.338 8.708 8.370 -0.000 0.000 0.475 147 K N 0.860 121.260 120.400 0.000 0.000 2.057 147 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 147 K C 1.962 178.568 176.600 0.009 0.000 1.050 147 K CA 0.655 56.950 56.287 0.013 0.000 0.935 147 K CB -0.447 32.083 32.500 0.050 0.000 0.715 147 K HN -0.110 8.140 8.250 -0.000 0.000 0.439 148 V N 1.207 121.060 119.914 -0.102 0.000 2.370 148 V HA -0.299 3.820 4.120 -0.001 0.000 0.252 148 V C 2.261 178.453 176.094 0.163 0.000 1.068 148 V CA 2.072 64.357 62.300 -0.025 0.000 1.061 148 V CB -0.457 31.245 31.823 -0.202 0.000 0.656 148 V HN 0.322 8.512 8.190 -0.000 0.000 0.455 149 I N 0.372 120.992 120.570 0.085 0.000 2.202 149 I HA -0.216 3.953 4.170 -0.001 0.000 0.242 149 I C 2.704 178.871 176.117 0.084 0.000 1.091 149 I CA 1.800 63.163 61.300 0.104 0.000 1.368 149 I CB -0.387 37.616 38.000 0.005 0.000 1.058 149 I HN 0.452 8.662 8.210 -0.000 0.000 0.410 150 S N 0.950 116.673 115.700 0.038 0.000 2.440 150 S HA -0.156 4.314 4.470 -0.001 0.000 0.238 150 S C 1.972 176.609 174.600 0.062 0.000 1.010 150 S CA 1.035 59.243 58.200 0.013 0.000 0.972 150 S CB -0.438 62.764 63.200 0.002 0.000 0.774 150 S HN 0.363 8.673 8.310 -0.000 0.000 0.501 151 L N 0.607 121.931 121.223 0.167 0.000 2.005 151 L HA -0.015 4.325 4.340 -0.001 0.000 0.207 151 L C 2.445 179.465 176.870 0.250 0.000 1.072 151 L CA 1.697 56.710 54.840 0.289 0.000 0.744 151 L CB -0.508 41.812 42.059 0.436 0.000 0.895 151 L HN 0.388 8.618 8.230 -0.000 0.000 0.433 152 I N -0.667 120.038 120.570 0.225 0.000 2.439 152 I HA -0.208 3.961 4.170 -0.001 0.000 0.251 152 I C 2.172 178.424 176.117 0.225 0.000 1.139 152 I CA 1.415 62.826 61.300 0.186 0.000 1.438 152 I CB -0.673 37.437 38.000 0.184 0.000 1.085 152 I HN 0.325 8.535 8.210 -0.000 0.000 0.427 153 N N 1.500 120.252 118.700 0.087 0.000 2.309 153 N HA -0.266 4.473 4.740 -0.001 0.000 0.182 153 N C 1.877 177.472 175.510 0.142 0.000 1.018 153 N CA 1.564 54.544 53.050 -0.118 0.000 0.876 153 N CB -0.054 38.319 38.487 -0.190 0.000 0.972 153 N HN 0.656 9.036 8.380 -0.000 0.000 0.434 154 Q N -1.611 118.208 119.800 0.032 0.000 2.423 154 Q HA 0.044 4.384 4.340 -0.001 0.000 0.231 154 Q C 0.104 176.017 176.000 -0.145 0.000 0.894 154 Q CA 0.480 56.222 55.803 -0.102 0.000 0.938 154 Q CB -0.032 28.527 28.738 -0.299 0.000 1.079 154 Q HN 0.538 8.808 8.270 -0.000 0.000 0.552 155 H N 0.659 119.789 119.070 0.101 0.000 2.507 155 H HA 0.514 5.069 4.556 -0.001 0.000 0.271 155 H C -1.109 174.246 175.328 0.046 0.000 1.224 155 H CA -0.433 55.649 56.048 0.056 0.000 1.000 155 H CB 0.444 30.222 29.762 0.027 0.000 1.663 155 H HN 0.000 8.280 8.280 -0.000 0.000 0.548 156 R N 1.293 121.899 120.500 0.177 0.000 2.808 156 R HA 0.065 4.405 4.340 -0.001 0.000 0.254 156 R C -1.327 174.984 176.300 0.018 0.000 1.145 156 R CA -0.500 55.669 56.100 0.114 0.000 1.066 156 R CB 2.111 32.488 30.300 0.129 0.000 1.268 156 R HN 0.514 8.784 8.270 -0.000 0.000 0.447 157 E N 0.940 121.081 120.200 -0.098 0.000 2.171 157 E HA 0.550 4.899 4.350 -0.001 0.000 0.271 157 E C 0.460 176.952 176.600 -0.181 0.000 0.916 157 E CA -0.048 56.205 56.400 -0.245 0.000 0.774 157 E CB 1.638 31.264 29.700 -0.123 0.000 1.128 157 E HN 0.716 9.076 8.360 -0.000 0.000 0.403 158 G N 2.377 111.045 108.800 -0.221 0.000 2.132 158 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.228 158 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.228 158 G C 0.098 175.177 174.900 0.300 0.000 1.000 158 G CA -0.045 45.142 45.100 0.145 0.000 0.693 158 G HN 0.533 8.823 8.290 -0.000 0.000 0.515 159 V N -0.198 119.791 119.914 0.125 0.000 2.924 159 V HA 0.465 4.585 4.120 -0.001 0.000 0.305 159 V C 1.089 177.129 176.094 -0.090 0.000 1.073 159 V CA -0.503 61.822 62.300 0.041 0.000 1.098 159 V CB 1.803 33.597 31.823 -0.048 0.000 1.000 159 V HN 0.268 8.458 8.190 -0.000 0.000 0.484 160 V N 4.249 124.026 119.914 -0.228 0.000 2.347 160 V HA 0.454 4.573 4.120 -0.001 0.000 0.280 160 V C -0.583 175.315 176.094 -0.326 0.000 1.021 160 V CA -0.184 61.973 62.300 -0.237 0.000 0.847 160 V CB 0.774 32.537 31.823 -0.100 0.000 0.990 160 V HN 0.632 8.822 8.190 -0.000 0.000 0.444 161 F N 5.096 124.933 119.950 -0.189 0.000 2.458 161 F HA 0.597 5.124 4.527 -0.001 0.000 0.336 161 F C 0.020 175.628 175.800 -0.319 0.000 1.114 161 F CA -0.739 57.138 58.000 -0.205 0.000 0.987 161 F CB 1.534 40.423 39.000 -0.186 0.000 1.130 161 F HN 0.160 8.460 8.300 -0.000 0.000 0.458 162 L N 5.140 126.235 121.223 -0.213 0.000 2.280 162 L HA 0.461 4.800 4.340 -0.001 0.000 0.287 162 L C -0.766 175.796 176.870 -0.513 0.000 1.023 162 L CA -0.594 53.973 54.840 -0.455 0.000 0.819 162 L CB 1.268 42.920 42.059 -0.679 0.000 1.212 162 L HN 0.525 8.755 8.230 -0.000 0.000 0.420 163 L N 3.375 124.448 121.223 -0.249 0.000 2.255 163 L HA 0.352 4.691 4.340 -0.001 0.000 0.289 163 L C -0.973 175.972 176.870 0.125 0.000 1.046 163 L CA -0.359 54.416 54.840 -0.107 0.000 0.816 163 L CB 0.722 42.760 42.059 -0.036 0.000 1.197 163 L HN 0.503 8.733 8.230 -0.000 0.000 0.427 164 W N 3.349 124.757 121.300 0.181 0.000 2.361 164 W HA 0.656 5.315 4.660 -0.001 0.000 0.314 164 W C 0.604 177.300 176.519 0.294 0.000 1.041 164 W CA -0.892 56.584 57.345 0.220 0.000 1.241 164 W CB 1.380 30.991 29.460 0.253 0.000 1.279 164 W HN 0.675 8.855 8.180 -0.000 0.000 0.436 165 G N 1.276 110.336 108.800 0.433 0.000 2.663 165 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.686 165 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.686 165 G C 0.530 175.540 174.900 0.184 0.000 1.246 165 G CA -0.333 44.934 45.100 0.278 0.000 0.795 165 G HN 0.323 8.613 8.290 -0.000 0.000 0.627 166 S N -0.580 115.196 115.700 0.128 0.000 2.387 166 S HA -0.095 4.375 4.470 -0.001 0.000 0.226 166 S C 1.785 176.446 174.600 0.102 0.000 1.026 166 S CA 1.492 59.747 58.200 0.093 0.000 0.972 166 S CB -0.371 62.869 63.200 0.067 0.000 0.814 166 S HN 0.723 9.033 8.310 -0.000 0.000 0.477 167 H N 1.461 120.549 119.070 0.030 0.000 2.254 167 H HA -0.150 4.406 4.556 -0.001 0.000 0.294 167 H C 2.244 177.592 175.328 0.033 0.000 1.071 167 H CA 1.842 57.907 56.048 0.028 0.000 1.228 167 H CB -0.469 29.313 29.762 0.033 0.000 1.358 167 H HN 0.402 8.682 8.280 -0.000 0.000 0.495 168 A N 0.647 123.498 122.820 0.052 0.000 2.024 168 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 168 A C 2.329 179.877 177.584 -0.059 0.000 1.164 168 A CA 1.693 53.718 52.037 -0.020 0.000 0.643 168 A CB -0.513 18.563 19.000 0.127 0.000 0.806 168 A HN 0.650 8.800 8.150 -0.000 0.000 0.451 169 Q N -0.933 118.859 119.800 -0.015 0.000 2.378 169 Q HA -0.011 4.328 4.340 -0.001 0.000 0.205 169 Q C 1.831 177.783 176.000 -0.081 0.000 0.954 169 Q CA 0.855 56.634 55.803 -0.040 0.000 0.901 169 Q CB 0.020 28.761 28.738 0.004 0.000 0.981 169 Q HN 0.639 8.909 8.270 -0.000 0.000 0.483 170 K N 0.294 120.635 120.400 -0.099 0.000 2.116 170 K HA -0.048 4.271 4.320 -0.001 0.000 0.203 170 K C 1.880 178.392 176.600 -0.147 0.000 1.052 170 K CA 0.642 56.861 56.287 -0.112 0.000 0.952 170 K CB 0.216 32.642 32.500 -0.124 0.000 0.729 170 K HN 0.006 8.256 8.250 -0.000 0.000 0.446 171 K N 0.006 120.290 120.400 -0.193 0.000 2.009 171 K HA -0.104 4.215 4.320 -0.001 0.000 0.210 171 K C 2.009 178.494 176.600 -0.192 0.000 1.049 171 K CA 1.583 57.759 56.287 -0.185 0.000 0.929 171 K CB -0.393 31.994 32.500 -0.188 0.000 0.714 171 K HN 0.216 8.466 8.250 -0.000 0.000 0.440 172 G N 0.543 109.205 108.800 -0.229 0.000 2.990 172 G HA2 0.008 3.967 3.960 -0.001 0.000 0.206 172 G HA3 0.008 3.967 3.960 -0.001 0.000 0.206 172 G C 1.335 176.064 174.900 -0.285 0.000 1.169 172 G CA 0.644 45.539 45.100 -0.341 0.000 0.819 172 G HN 0.299 8.589 8.290 -0.000 0.000 0.517 173 A N 1.141 123.845 122.820 -0.193 0.000 2.024 173 A HA -0.090 4.229 4.320 -0.001 0.000 0.220 173 A C 2.307 179.802 177.584 -0.149 0.000 1.164 173 A CA 1.426 53.374 52.037 -0.148 0.000 0.643 173 A CB -0.284 18.651 19.000 -0.107 0.000 0.806 173 A HN 0.596 8.746 8.150 -0.000 0.000 0.451 174 I N -1.151 119.320 120.570 -0.166 0.000 2.286 174 I HA -0.003 4.167 4.170 -0.001 0.000 0.245 174 I C 0.627 176.638 176.117 -0.177 0.000 1.104 174 I CA 0.116 61.329 61.300 -0.144 0.000 1.397 174 I CB -0.809 37.114 38.000 -0.130 0.000 1.072 174 I HN 0.072 8.282 8.210 -0.000 0.000 0.417 175 I N 3.479 123.874 120.570 -0.292 0.000 3.089 175 I HA -0.205 3.965 4.170 -0.001 0.000 0.321 175 I C 0.195 176.203 176.117 -0.182 0.000 1.222 175 I CA 0.508 61.587 61.300 -0.369 0.000 1.452 175 I CB -0.479 37.093 38.000 -0.714 0.000 1.321 175 I HN 0.253 8.463 8.210 -0.000 0.000 0.539 176 D N 6.492 126.861 120.400 -0.051 0.000 2.358 176 D HA 0.044 4.683 4.640 -0.001 0.000 0.258 176 D C 0.987 177.345 176.300 0.096 0.000 1.223 176 D CA 0.006 54.038 54.000 0.053 0.000 0.886 176 D CB 0.843 41.722 40.800 0.133 0.000 1.120 176 D HN 0.342 8.712 8.370 -0.000 0.000 0.482 177 K N 2.017 122.437 120.400 0.034 0.000 2.209 177 K HA -0.144 4.176 4.320 -0.001 0.000 0.204 177 K C 1.632 178.293 176.600 0.101 0.000 1.048 177 K CA 1.015 57.322 56.287 0.035 0.000 0.940 177 K CB 0.188 32.685 32.500 -0.004 0.000 0.729 177 K HN 0.570 8.820 8.250 -0.000 0.000 0.451 178 Q N -0.105 119.762 119.800 0.112 0.000 2.187 178 Q HA -0.029 4.310 4.340 -0.001 0.000 0.199 178 Q C 1.831 177.931 176.000 0.165 0.000 0.957 178 Q CA 0.904 56.786 55.803 0.131 0.000 0.857 178 Q CB 0.213 29.005 28.738 0.091 0.000 0.929 178 Q HN 0.299 8.569 8.270 -0.000 0.000 0.453 179 R N -0.614 119.996 120.500 0.183 0.000 2.189 179 R HA 0.112 4.451 4.340 -0.001 0.000 0.203 179 R C 0.350 176.671 176.300 0.035 0.000 1.012 179 R CA 0.462 56.625 56.100 0.105 0.000 1.015 179 R CB 0.514 30.889 30.300 0.124 0.000 0.938 179 R HN 0.260 8.530 8.270 -0.000 0.000 0.472 180 H N -0.732 118.457 119.070 0.199 0.000 2.667 180 H HA 0.145 4.701 4.556 -0.001 0.000 0.353 180 H C -1.134 174.240 175.328 0.076 0.000 1.072 180 H CA -0.985 55.203 56.048 0.233 0.000 1.214 180 H CB 1.879 31.920 29.762 0.466 0.000 1.600 180 H HN -0.027 8.253 8.280 -0.000 0.000 0.527 181 H N 2.373 121.278 119.070 -0.276 0.000 2.899 181 H HA 0.142 4.698 4.556 -0.001 0.000 0.303 181 H C -0.689 174.454 175.328 -0.307 0.000 1.042 181 H CA -0.072 55.511 56.048 -0.775 0.000 1.479 181 H CB 0.175 28.722 29.762 -2.025 0.000 1.493 181 H HN 0.244 8.524 8.280 -0.000 0.000 0.534 182 V N 8.144 127.757 119.914 -0.501 0.000 2.305 182 V HA 0.203 4.322 4.120 -0.001 0.000 0.275 182 V C -0.128 175.686 176.094 -0.467 0.000 1.020 182 V CA -0.691 61.405 62.300 -0.340 0.000 0.811 182 V CB 0.454 32.140 31.823 -0.229 0.000 1.031 182 V HN 0.540 8.730 8.190 -0.000 0.000 0.439 183 L N 4.179 125.085 121.223 -0.529 0.000 2.312 183 L HA 0.602 4.942 4.340 -0.001 0.000 0.281 183 L C 0.303 177.074 176.870 -0.165 0.000 1.070 183 L CA -0.290 54.237 54.840 -0.521 0.000 0.805 183 L CB 0.993 42.440 42.059 -1.020 0.000 1.174 183 L HN 0.473 8.703 8.230 -0.000 0.000 0.434 184 K N 1.823 122.295 120.400 0.119 0.000 2.306 184 K HA 0.967 5.286 4.320 -0.001 0.000 0.236 184 K C -0.886 175.873 176.600 0.266 0.000 1.013 184 K CA -0.811 55.612 56.287 0.227 0.000 0.857 184 K CB 2.373 34.916 32.500 0.072 0.000 1.214 184 K HN 0.741 8.991 8.250 -0.000 0.000 0.449 185 A N 0.760 123.689 122.820 0.182 0.000 2.489 185 A HA 0.431 4.751 4.320 -0.001 0.000 0.293 185 A C -3.040 174.623 177.584 0.131 0.000 1.004 185 A CA -1.067 50.970 52.037 -0.001 0.000 0.626 185 A CB 0.615 19.354 19.000 -0.435 0.000 1.345 185 A HN 0.400 8.550 8.150 -0.000 0.000 0.447 186 P HA 0.230 4.650 4.420 -0.000 0.000 0.288 186 P C -0.674 176.760 177.300 0.224 0.000 1.291 186 P CA -0.139 63.047 63.100 0.142 0.000 0.766 186 P CB 0.230 31.987 31.700 0.094 0.000 1.242 187 H N 0.933 120.038 119.070 0.059 0.000 2.552 187 H HA 0.145 4.700 4.556 -0.001 0.000 0.311 187 H C -1.454 173.692 175.328 -0.304 0.000 1.071 187 H CA -2.025 54.018 56.048 -0.007 0.000 1.307 187 H CB 0.943 30.741 29.762 0.060 0.000 1.416 187 H HN 0.177 8.457 8.280 -0.000 0.000 0.464 188 P HA -0.223 4.197 4.420 -0.000 0.000 0.220 188 P C 0.659 177.500 177.300 -0.764 0.000 1.146 188 P CA 0.927 63.123 63.100 -1.506 0.000 0.816 188 P CB -0.065 30.797 31.700 -1.397 0.000 0.764 189 S N -0.213 115.258 115.700 -0.382 0.000 2.558 189 S HA 0.008 4.477 4.470 -0.001 0.000 0.291 189 S C -1.193 173.324 174.600 -0.139 0.000 1.306 189 S CA -0.747 57.410 58.200 -0.073 0.000 1.056 189 S CB 0.074 63.408 63.200 0.225 0.000 0.836 189 S HN -0.067 8.243 8.310 -0.000 0.000 0.504 190 P HA -0.134 4.286 4.420 -0.000 0.000 0.217 190 P C 1.358 178.502 177.300 -0.260 0.000 1.148 190 P CA 0.810 63.822 63.100 -0.147 0.000 0.834 190 P CB 0.054 31.713 31.700 -0.069 0.000 0.783 191 L N -0.786 120.351 121.223 -0.143 0.000 2.034 191 L HA -0.111 4.228 4.340 -0.001 0.000 0.203 191 L C 2.372 179.172 176.870 -0.116 0.000 1.074 191 L CA 2.031 56.798 54.840 -0.122 0.000 0.748 191 L CB -1.304 40.727 42.059 -0.046 0.000 0.905 191 L HN -0.057 8.173 8.230 -0.000 0.000 0.439 192 S N -0.253 115.412 115.700 -0.058 0.000 2.338 192 S HA -0.136 4.334 4.470 -0.001 0.000 0.218 192 S C 2.041 176.627 174.600 -0.022 0.000 1.032 192 S CA 0.757 58.951 58.200 -0.011 0.000 0.999 192 S CB -1.178 62.062 63.200 0.066 0.000 0.905 192 S HN 0.492 8.802 8.310 -0.000 0.000 0.439 193 A N 3.809 126.565 122.820 -0.106 0.000 2.223 193 A HA -0.287 4.033 4.320 -0.001 0.000 0.247 193 A C 0.856 178.635 177.584 0.325 0.000 2.041 193 A CA 2.228 54.257 52.037 -0.014 0.000 0.965 193 A CB -2.207 16.840 19.000 0.078 0.000 0.749 193 A HN 0.731 8.881 8.150 -0.000 0.000 0.510 194 H N 0.077 119.259 119.070 0.186 0.000 3.325 194 H HA 0.496 5.052 4.556 -0.001 0.000 0.242 194 H C 0.659 176.047 175.328 0.100 0.000 1.117 194 H CA 1.021 57.176 56.048 0.179 0.000 1.470 194 H CB -0.353 29.483 29.762 0.124 0.000 1.573 194 H HN 0.559 8.839 8.280 -0.000 0.000 0.501 195 R N 0.708 121.332 120.500 0.206 0.000 2.619 195 R HA 0.087 4.426 4.340 -0.001 0.000 0.101 195 R C 0.995 177.345 176.300 0.083 0.000 0.497 195 R CA 0.564 56.732 56.100 0.115 0.000 0.795 195 R CB -0.534 29.815 30.300 0.083 0.000 0.876 195 R HN 0.831 9.101 8.270 -0.000 0.000 0.605 196 G N -0.437 108.418 108.800 0.090 0.000 4.172 196 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.204 196 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.204 196 G C 0.477 175.356 174.900 -0.034 0.000 1.256 196 G CA 0.030 45.144 45.100 0.024 0.000 0.886 196 G HN 0.080 8.370 8.290 -0.000 0.000 0.344 197 F N 1.886 121.725 119.950 -0.185 0.000 1.993 197 F HA 0.301 4.828 4.527 -0.001 0.000 0.297 197 F C 1.161 176.768 175.800 -0.323 0.000 1.177 197 F CA 1.204 58.969 58.000 -0.393 0.000 1.182 197 F CB -0.359 38.303 39.000 -0.563 0.000 0.958 197 F HN 0.024 8.324 8.300 -0.000 0.000 0.496 198 F N 1.611 121.720 119.950 0.264 0.000 2.473 198 F HA 0.222 4.749 4.527 -0.001 0.000 0.405 198 F C 1.301 177.052 175.800 -0.082 0.000 0.988 198 F CA 1.113 59.174 58.000 0.101 0.000 1.096 198 F CB -0.214 38.838 39.000 0.086 0.000 0.944 198 F HN 0.432 8.732 8.300 -0.000 0.000 0.530 199 G N 1.191 110.006 108.800 0.024 0.000 2.253 199 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.209 199 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.209 199 G C 1.330 176.131 174.900 -0.165 0.000 0.997 199 G CA 0.041 45.115 45.100 -0.044 0.000 0.640 199 G HN 0.998 9.288 8.290 -0.000 0.000 0.496 200 C N 0.408 119.492 119.300 -0.360 0.000 2.411 200 C HA 0.120 4.579 4.460 -0.001 0.000 0.279 200 C C 1.790 176.609 174.990 -0.284 0.000 1.288 200 C CA 1.256 60.015 59.018 -0.432 0.000 1.764 200 C CB -0.979 26.223 27.740 -0.896 0.000 1.974 200 C HN 1.731 9.961 8.230 -0.000 0.000 0.498 201 N N 0.093 118.589 118.700 -0.341 0.000 2.741 201 N HA -0.235 4.504 4.740 -0.001 0.000 0.250 201 N C 0.360 175.790 175.510 -0.134 0.000 1.115 201 N CA 1.266 54.205 53.050 -0.185 0.000 0.724 201 N CB -2.704 35.749 38.487 -0.057 0.000 1.090 201 N HN 0.888 9.268 8.380 -0.000 0.000 0.558 202 H N -1.575 117.188 119.070 -0.511 0.000 2.421 202 H HA -0.118 4.438 4.556 -0.001 0.000 0.298 202 H C 0.980 176.141 175.328 -0.280 0.000 1.087 202 H CA 1.615 57.428 56.048 -0.391 0.000 1.330 202 H CB -0.017 29.509 29.762 -0.393 0.000 1.388 202 H HN 0.288 8.568 8.280 -0.000 0.000 0.526 203 F N -0.181 119.724 119.950 -0.076 0.000 2.216 203 F HA -0.158 4.369 4.527 -0.001 0.000 0.300 203 F C 2.337 178.241 175.800 0.173 0.000 1.085 203 F CA 0.541 58.417 58.000 -0.206 0.000 1.326 203 F CB -0.696 37.959 39.000 -0.575 0.000 1.027 203 F HN -0.029 8.271 8.300 -0.000 0.000 0.497 204 V N -1.175 118.893 119.914 0.257 0.000 2.500 204 V HA -0.104 4.015 4.120 -0.001 0.000 0.243 204 V C 2.252 178.457 176.094 0.186 0.000 1.039 204 V CA 0.580 63.018 62.300 0.229 0.000 1.053 204 V CB -0.610 31.306 31.823 0.155 0.000 0.695 204 V HN 0.119 8.309 8.190 -0.000 0.000 0.463 205 L N 1.019 122.324 121.223 0.137 0.000 2.265 205 L HA -0.038 4.301 4.340 -0.001 0.000 0.215 205 L C 2.558 179.539 176.870 0.186 0.000 1.117 205 L CA 1.935 56.858 54.840 0.139 0.000 0.782 205 L CB -1.503 40.615 42.059 0.098 0.000 0.914 205 L HN 0.327 8.557 8.230 -0.000 0.000 0.441 206 A N -0.319 122.615 122.820 0.189 0.000 1.877 206 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 206 A C 2.044 179.783 177.584 0.260 0.000 1.186 206 A CA 1.808 53.981 52.037 0.227 0.000 0.620 206 A CB -0.453 18.732 19.000 0.308 0.000 0.822 206 A HN 0.496 8.646 8.150 -0.000 0.000 0.443 207 N N -0.331 118.510 118.700 0.236 0.000 2.354 207 N HA -0.075 4.664 4.740 -0.001 0.000 0.179 207 N C 1.754 177.339 175.510 0.125 0.000 1.021 207 N CA 0.945 54.085 53.050 0.149 0.000 0.887 207 N CB -0.418 38.133 38.487 0.106 0.000 0.974 207 N HN 0.633 9.013 8.380 -0.000 0.000 0.437 208 Q N -0.448 119.439 119.800 0.146 0.000 2.135 208 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 208 Q C 1.715 177.768 176.000 0.090 0.000 0.981 208 Q CA 0.882 56.745 55.803 0.100 0.000 0.856 208 Q CB -0.112 28.692 28.738 0.109 0.000 0.902 208 Q HN 0.551 8.821 8.270 -0.000 0.000 0.425 209 W N 1.123 122.387 121.300 -0.060 0.000 2.409 209 W HA -0.137 4.522 4.660 -0.001 0.000 0.299 209 W C 1.323 177.783 176.519 -0.099 0.000 1.203 209 W CA 0.985 58.247 57.345 -0.138 0.000 1.298 209 W CB -0.116 29.224 29.460 -0.201 0.000 1.127 209 W HN 0.128 8.308 8.180 -0.000 0.000 0.528 210 L N 0.482 121.758 121.223 0.088 0.000 2.109 210 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 210 L C 2.453 179.260 176.870 -0.106 0.000 1.086 210 L CA 1.325 56.153 54.840 -0.021 0.000 0.760 210 L CB -0.997 41.093 42.059 0.051 0.000 0.910 210 L HN -0.076 8.154 8.230 -0.000 0.000 0.437 211 E N 0.058 120.215 120.200 -0.072 0.000 2.077 211 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 211 E C 2.245 178.764 176.600 -0.135 0.000 0.989 211 E CA 0.943 57.294 56.400 -0.081 0.000 0.800 211 E CB -0.057 29.616 29.700 -0.046 0.000 0.746 211 E HN 0.480 8.840 8.360 -0.000 0.000 0.452 212 Q N 0.390 120.079 119.800 -0.186 0.000 2.062 212 Q HA -0.212 4.128 4.340 -0.001 0.000 0.209 212 Q C 1.676 177.502 176.000 -0.290 0.000 0.996 212 Q CA 1.634 57.284 55.803 -0.256 0.000 0.859 212 Q CB -0.147 28.362 28.738 -0.382 0.000 0.920 212 Q HN 0.221 8.491 8.270 -0.000 0.000 0.415 213 R N -0.637 119.643 120.500 -0.367 0.000 2.346 213 R HA 0.139 4.478 4.340 -0.001 0.000 0.225 213 R C 1.016 177.200 176.300 -0.193 0.000 0.987 213 R CA 0.514 56.429 56.100 -0.308 0.000 1.106 213 R CB 0.143 30.218 30.300 -0.376 0.000 1.090 213 R HN 0.389 8.659 8.270 -0.000 0.000 0.502 214 G N 0.956 109.659 108.800 -0.162 0.000 2.162 214 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 214 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 214 G C 0.110 174.953 174.900 -0.094 0.000 0.976 214 G CA 0.028 45.061 45.100 -0.112 0.000 0.655 214 G HN 0.331 8.621 8.290 -0.000 0.000 0.533 215 E N 0.551 120.689 120.200 -0.103 0.000 2.397 215 E HA 0.361 4.710 4.350 -0.001 0.000 0.254 215 E C 0.517 177.076 176.600 -0.068 0.000 1.231 215 E CA 0.406 56.758 56.400 -0.079 0.000 0.954 215 E CB 0.249 29.905 29.700 -0.074 0.000 1.024 215 E HN 0.241 8.601 8.360 -0.000 0.000 0.481 216 T N 3.009 117.524 114.554 -0.066 0.000 2.771 216 T HA 0.340 4.689 4.350 -0.001 0.000 0.291 216 T C -2.212 172.434 174.700 -0.089 0.000 0.954 216 T CA -1.390 60.667 62.100 -0.071 0.000 1.045 216 T CB 1.007 69.833 68.868 -0.071 0.000 0.917 216 T HN 0.172 8.412 8.240 -0.000 0.000 0.484 217 P HA 0.277 4.697 4.420 -0.000 0.000 0.274 217 P C -0.498 176.661 177.300 -0.235 0.000 1.246 217 P CA -0.683 62.343 63.100 -0.123 0.000 0.795 217 P CB 0.469 32.121 31.700 -0.080 0.000 1.006 218 I N 1.465 121.796 120.570 -0.398 0.000 2.321 218 I HA 0.132 4.302 4.170 -0.001 0.000 0.291 218 I C 0.381 175.983 176.117 -0.860 0.000 0.998 218 I CA -0.301 60.538 61.300 -0.769 0.000 1.227 218 I CB 0.613 37.769 38.000 -1.406 0.000 1.368 218 I HN 0.256 8.466 8.210 -0.000 0.000 0.466 219 D N 6.346 126.413 120.400 -0.556 0.000 2.508 219 D HA 0.072 4.712 4.640 -0.001 0.000 0.224 219 D C 0.792 176.961 176.300 -0.218 0.000 1.171 219 D CA -0.204 53.633 54.000 -0.272 0.000 1.006 219 D CB 0.035 40.779 40.800 -0.095 0.000 1.073 219 D HN 0.390 8.760 8.370 -0.000 0.000 0.513 220 W N 2.279 123.521 121.300 -0.097 0.000 3.003 220 W HA -0.070 4.589 4.660 -0.001 0.000 0.244 220 W C 1.105 178.005 176.519 0.635 0.000 1.304 220 W CA -0.550 56.727 57.345 -0.113 0.000 1.420 220 W CB -0.320 28.914 29.460 -0.377 0.000 1.127 220 W HN 0.309 8.489 8.180 -0.000 0.000 0.702 221 M N 3.270 123.274 119.600 0.673 0.000 2.365 221 M HA 0.303 4.782 4.480 -0.001 0.000 0.350 221 M C -2.300 174.240 176.300 0.400 0.000 1.274 221 M CA -2.229 53.372 55.300 0.503 0.000 1.252 221 M CB 0.279 32.972 32.600 0.155 0.000 1.297 221 M HN -0.329 7.961 8.290 -0.000 0.000 0.438 222 P HA 0.010 4.430 4.420 -0.000 0.000 0.260 222 P C -0.843 176.633 177.300 0.293 0.000 1.185 222 P CA 0.091 63.354 63.100 0.271 0.000 0.763 222 P CB 0.160 31.865 31.700 0.008 0.000 0.776 223 V N 4.630 124.678 119.914 0.224 0.000 2.644 223 V HA 0.126 4.245 4.120 -0.001 0.000 0.295 223 V C 1.468 177.620 176.094 0.096 0.000 1.053 223 V CA -0.277 62.120 62.300 0.162 0.000 0.987 223 V CB 1.350 33.229 31.823 0.093 0.000 1.006 223 V HN 0.432 8.622 8.190 -0.000 0.000 0.472 224 L N 3.777 124.975 121.223 -0.041 0.000 2.546 224 L HA 0.442 4.781 4.340 -0.001 0.000 0.182 224 L C -1.468 175.369 176.870 -0.055 0.000 1.167 224 L CA 0.713 55.454 54.840 -0.165 0.000 0.845 224 L CB -0.415 41.312 42.059 -0.552 0.000 1.134 224 L HN 0.612 8.842 8.230 -0.000 0.000 0.500 225 P HA 0.234 4.654 4.420 -0.000 0.000 0.271 225 P C -0.578 176.718 177.300 -0.007 0.000 1.216 225 P CA 0.375 63.450 63.100 -0.042 0.000 0.776 225 P CB 1.696 33.372 31.700 -0.041 0.000 0.881 226 A N 2.443 125.262 122.820 -0.001 0.000 1.808 226 A HA 0.131 4.451 4.320 -0.001 0.000 0.190 226 A C 1.735 179.324 177.584 0.008 0.000 1.822 226 A CA 0.289 52.334 52.037 0.013 0.000 1.090 226 A CB -0.244 18.773 19.000 0.029 0.000 1.004 226 A HN 0.474 8.624 8.150 -0.000 0.000 0.602 227 E N -0.313 119.890 120.200 0.005 0.000 2.045 227 E HA 0.541 4.891 4.350 -0.001 0.000 0.195 227 E C 0.799 177.394 176.600 -0.007 0.000 0.953 227 E CA 0.897 57.300 56.400 0.004 0.000 0.859 227 E CB 0.268 29.973 29.700 0.009 0.000 0.854 227 E HN 0.758 9.118 8.360 -0.000 0.000 0.471 228 S N 0.000 115.690 115.700 -0.017 0.000 2.498 228 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 228 S CA 0.000 58.185 58.200 -0.026 0.000 1.107 228 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 228 S HN 0.000 8.310 8.310 -0.000 0.000 0.517