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 2e6g_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRILVTNDDG IYSPGLWALA EAASQFGEVF VAAPDXXXXX XXXXITIAHP DATA SEQUENCE VRAYPHPSPL HAPHFPAYRV RGTPADCVAL GLHLFGPVDL VLSGVNLGSN DATA SEQUENCE LGHEIWHSGT VAAAKQGYLF GLSAAAFSVP LNGEVPDFAG LRPWLLRTLE DATA SEQUENCE TLLRLERPFL VNVNLPLRPK GFLWTRQSVR AYEGVVIPGE DPMGRPFYWF DATA SEQUENCE APRPLKEAEE GTDRWAVAQG FVSATPLRLD LTDETRL 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 0.000 176.346 176.300 0.077 0.000 1.140 1 M CA 0.000 55.349 55.300 0.081 0.000 0.988 1 M CB 0.000 32.656 32.600 0.094 0.000 1.302 2 R N 3.110 123.669 120.500 0.099 0.000 2.349 2 R HA 0.797 5.138 4.340 0.001 0.000 0.299 2 R C -1.001 175.356 176.300 0.095 0.000 1.027 2 R CA -0.476 55.706 56.100 0.136 0.000 0.958 2 R CB 1.243 31.688 30.300 0.242 0.000 1.047 2 R HN 0.802 9.072 8.270 0.000 0.000 0.468 3 I N 3.363 123.952 120.570 0.033 0.000 2.499 3 I HA 0.228 4.398 4.170 0.001 0.000 0.288 3 I C -0.823 175.293 176.117 -0.001 0.000 1.048 3 I CA -1.192 60.109 61.300 0.001 0.000 1.062 3 I CB 2.145 40.109 38.000 -0.060 0.000 1.238 3 I HN 0.259 8.469 8.210 0.000 0.000 0.426 4 L N 8.261 129.509 121.223 0.042 0.000 2.272 4 L HA 0.594 4.934 4.340 0.001 0.000 0.289 4 L C -0.824 176.022 176.870 -0.041 0.000 1.032 4 L CA -0.209 54.660 54.840 0.048 0.000 0.810 4 L CB 1.439 43.574 42.059 0.128 0.000 1.205 4 L HN 0.326 8.556 8.230 0.000 0.000 0.422 5 V N 4.711 124.549 119.914 -0.127 0.000 2.495 5 V HA 0.752 4.872 4.120 0.001 0.000 0.298 5 V C 0.114 176.085 176.094 -0.205 0.000 1.031 5 V CA -0.314 61.863 62.300 -0.204 0.000 0.871 5 V CB 1.497 33.107 31.823 -0.355 0.000 0.988 5 V HN 0.910 9.100 8.190 0.000 0.000 0.432 6 T N 3.218 117.672 114.554 -0.167 0.000 2.681 6 T HA 0.674 5.024 4.350 0.001 0.000 0.296 6 T C -1.311 173.303 174.700 -0.143 0.000 1.157 6 T CA -0.365 61.645 62.100 -0.151 0.000 1.025 6 T CB 1.975 70.809 68.868 -0.057 0.000 1.441 6 T HN 0.961 9.201 8.240 0.000 0.000 0.504 7 N N 0.097 118.731 118.700 -0.109 0.000 3.517 7 N HA 0.320 5.060 4.740 0.001 0.000 0.329 7 N C -1.432 174.058 175.510 -0.034 0.000 1.569 7 N CA -0.181 52.826 53.050 -0.072 0.000 0.852 7 N CB 0.352 38.777 38.487 -0.103 0.000 1.955 7 N HN 0.641 9.021 8.380 0.000 0.000 0.555 8 D N -2.368 118.024 120.400 -0.012 0.000 2.594 8 D HA 0.230 4.870 4.640 0.001 0.000 0.256 8 D C -0.717 175.595 176.300 0.020 0.000 1.393 8 D CA -0.046 53.959 54.000 0.009 0.000 0.797 8 D CB -0.121 40.692 40.800 0.022 0.000 1.110 8 D HN 0.380 8.750 8.370 0.000 0.000 0.495 9 D N 0.484 120.892 120.400 0.014 0.000 2.392 9 D HA 0.341 4.982 4.640 0.001 0.000 0.206 9 D C 1.119 177.448 176.300 0.048 0.000 1.046 9 D CA 1.134 55.157 54.000 0.039 0.000 0.865 9 D CB 1.363 42.193 40.800 0.049 0.000 0.969 9 D HN 0.455 8.825 8.370 0.000 0.000 0.509 10 G N 0.944 109.750 108.800 0.010 0.000 2.459 10 G HA2 -0.176 3.785 3.960 0.001 0.000 0.685 10 G HA3 -0.176 3.785 3.960 0.001 0.000 0.685 10 G C 0.126 174.986 174.900 -0.067 0.000 1.303 10 G CA -0.429 44.674 45.100 0.006 0.000 0.907 10 G HN 0.129 8.419 8.290 0.000 0.000 0.632 11 I N -0.142 120.318 120.570 -0.183 0.000 3.001 11 I HA 0.134 4.305 4.170 0.001 0.000 0.268 11 I C 1.604 177.648 176.117 -0.122 0.000 1.267 11 I CA 0.849 61.974 61.300 -0.293 0.000 1.472 11 I CB -0.049 37.623 38.000 -0.546 0.000 1.089 11 I HN 0.532 8.742 8.210 0.000 0.000 0.468 12 Y N -0.466 119.980 120.300 0.243 0.000 2.462 12 Y HA 0.246 4.796 4.550 0.001 0.000 0.261 12 Y C 1.595 177.665 175.900 0.285 0.000 1.146 12 Y CA -0.191 58.081 58.100 0.286 0.000 1.283 12 Y CB -0.446 38.131 38.460 0.194 0.000 1.090 12 Y HN 0.034 8.314 8.280 0.000 0.000 0.526 13 S N 3.736 119.621 115.700 0.309 0.000 2.516 13 S HA 0.047 4.518 4.470 0.001 0.000 0.282 13 S C -1.161 173.603 174.600 0.274 0.000 1.286 13 S CA -1.233 57.107 58.200 0.233 0.000 1.066 13 S CB 0.824 64.093 63.200 0.115 0.000 0.884 13 S HN 0.125 8.435 8.310 0.000 0.000 0.491 14 P HA 0.038 4.458 4.420 0.000 0.000 0.226 14 P C 1.458 178.702 177.300 -0.092 0.000 1.153 14 P CA 0.986 64.234 63.100 0.247 0.000 0.777 14 P CB -0.322 31.561 31.700 0.304 0.000 0.794 15 G N 0.621 109.400 108.800 -0.035 0.000 2.443 15 G HA2 -0.213 3.747 3.960 0.001 0.000 0.219 15 G HA3 -0.213 3.747 3.960 0.001 0.000 0.219 15 G C 1.447 176.132 174.900 -0.357 0.000 1.131 15 G CA 0.385 45.329 45.100 -0.260 0.000 0.775 15 G HN 0.257 8.547 8.290 0.000 0.000 0.547 16 L N -0.654 120.386 121.223 -0.305 0.000 2.023 16 L HA 0.150 4.491 4.340 0.001 0.000 0.205 16 L C 2.444 178.899 176.870 -0.691 0.000 1.073 16 L CA 1.478 55.998 54.840 -0.534 0.000 0.745 16 L CB -0.658 40.976 42.059 -0.709 0.000 0.900 16 L HN 0.371 8.601 8.230 0.000 0.000 0.435 17 W N -0.441 120.729 121.300 -0.216 0.000 2.519 17 W HA 0.081 4.742 4.660 0.000 0.000 0.266 17 W C 2.470 178.870 176.519 -0.199 0.000 1.253 17 W CA 0.940 58.184 57.345 -0.168 0.000 1.274 17 W CB -0.711 28.741 29.460 -0.013 0.000 1.114 17 W HN 0.268 8.448 8.180 0.000 0.000 0.596 18 A N 0.218 122.892 122.820 -0.243 0.000 1.873 18 A HA -0.149 4.171 4.320 0.001 0.000 0.215 18 A C 1.930 179.356 177.584 -0.264 0.000 1.186 18 A CA 1.429 53.265 52.037 -0.334 0.000 0.616 18 A CB -0.899 17.515 19.000 -0.977 0.000 0.823 18 A HN 0.245 8.395 8.150 0.000 0.000 0.442 19 L N -0.450 120.553 121.223 -0.368 0.000 2.201 19 L HA 0.020 4.360 4.340 0.001 0.000 0.212 19 L C 2.562 179.228 176.870 -0.340 0.000 1.105 19 L CA 1.799 56.407 54.840 -0.387 0.000 0.775 19 L CB -0.612 41.161 42.059 -0.477 0.000 0.913 19 L HN 0.344 8.574 8.230 0.000 0.000 0.440 20 A N -1.063 121.535 122.820 -0.370 0.000 1.897 20 A HA -0.163 4.158 4.320 0.001 0.000 0.215 20 A C 2.302 179.776 177.584 -0.183 0.000 1.181 20 A CA 1.394 53.150 52.037 -0.469 0.000 0.620 20 A CB -0.608 17.860 19.000 -0.887 0.000 0.821 20 A HN 0.484 8.634 8.150 0.000 0.000 0.443 21 E N 0.587 120.827 120.200 0.067 0.000 2.072 21 E HA -0.134 4.217 4.350 0.001 0.000 0.191 21 E C 2.158 178.838 176.600 0.134 0.000 0.985 21 E CA 1.248 57.806 56.400 0.263 0.000 0.801 21 E CB -0.296 29.554 29.700 0.249 0.000 0.750 21 E HN 0.437 8.797 8.360 0.000 0.000 0.452 22 A N 1.413 124.265 122.820 0.053 0.000 1.877 22 A HA -0.077 4.244 4.320 0.001 0.000 0.216 22 A C 2.459 180.141 177.584 0.164 0.000 1.186 22 A CA 2.247 54.335 52.037 0.086 0.000 0.620 22 A CB -0.800 18.207 19.000 0.011 0.000 0.822 22 A HN 0.363 8.513 8.150 0.000 0.000 0.443 23 A N 0.268 123.108 122.820 0.034 0.000 2.015 23 A HA -0.048 4.273 4.320 0.001 0.000 0.219 23 A C 2.374 180.058 177.584 0.167 0.000 1.163 23 A CA 2.038 54.117 52.037 0.068 0.000 0.646 23 A CB -0.946 17.985 19.000 -0.116 0.000 0.806 23 A HN 1.090 9.240 8.150 0.000 0.000 0.448 24 S N -0.883 114.881 115.700 0.107 0.000 2.500 24 S HA -0.154 4.317 4.470 0.001 0.000 0.239 24 S C 1.579 176.226 174.600 0.079 0.000 0.989 24 S CA 1.181 59.445 58.200 0.106 0.000 0.951 24 S CB -0.291 63.034 63.200 0.209 0.000 0.759 24 S HN 0.533 8.843 8.310 0.000 0.000 0.523 25 Q N 0.016 119.872 119.800 0.094 0.000 2.311 25 Q HA 0.200 4.541 4.340 0.001 0.000 0.203 25 Q C 0.738 176.542 176.000 -0.326 0.000 0.954 25 Q CA 0.854 56.573 55.803 -0.139 0.000 0.885 25 Q CB -0.338 28.238 28.738 -0.269 0.000 0.963 25 Q HN 0.777 9.047 8.270 0.000 0.000 0.471 26 F N -1.044 118.901 119.950 -0.009 0.000 2.704 26 F HA 0.429 4.956 4.527 0.001 0.000 0.304 26 F C 1.213 177.009 175.800 -0.007 0.000 1.094 26 F CA 0.302 58.301 58.000 -0.001 0.000 1.275 26 F CB 0.822 39.828 39.000 0.011 0.000 1.073 26 F HN -0.037 8.263 8.300 0.000 0.000 0.586 27 G N -0.283 108.591 108.800 0.124 0.000 2.317 27 G HA2 0.250 4.211 3.960 0.001 0.000 0.293 27 G HA3 0.250 4.211 3.960 0.001 0.000 0.293 27 G C -1.589 173.293 174.900 -0.029 0.000 1.287 27 G CA -1.092 44.038 45.100 0.051 0.000 0.850 27 G HN -0.024 8.266 8.290 0.000 0.000 0.515 28 E N -0.679 119.466 120.200 -0.091 0.000 2.316 28 E HA 0.472 4.822 4.350 0.001 0.000 0.275 28 E C -0.357 175.913 176.600 -0.551 0.000 1.029 28 E CA -0.326 55.909 56.400 -0.276 0.000 0.871 28 E CB 2.128 31.694 29.700 -0.224 0.000 1.022 28 E HN 0.300 8.660 8.360 0.000 0.000 0.418 29 V N 4.117 123.639 119.914 -0.654 0.000 2.581 29 V HA 0.449 4.569 4.120 0.001 0.000 0.303 29 V C -0.961 174.502 176.094 -1.051 0.000 1.041 29 V CA -0.665 61.218 62.300 -0.695 0.000 0.907 29 V CB 0.747 32.340 31.823 -0.384 0.000 0.994 29 V HN 0.493 8.683 8.190 0.000 0.000 0.442 30 F N 2.818 122.533 119.950 -0.393 0.000 2.556 30 F HA 0.693 5.221 4.527 0.001 0.000 0.314 30 F C -0.140 175.358 175.800 -0.504 0.000 1.106 30 F CA -0.914 56.658 58.000 -0.714 0.000 0.911 30 F CB 1.957 40.136 39.000 -1.367 0.000 1.190 30 F HN 0.132 8.432 8.300 0.000 0.000 0.448 31 V N 2.127 121.918 119.914 -0.205 0.000 2.581 31 V HA 0.905 5.025 4.120 0.001 0.000 0.303 31 V C -0.536 175.652 176.094 0.157 0.000 1.041 31 V CA -0.878 61.331 62.300 -0.150 0.000 0.907 31 V CB 1.697 33.298 31.823 -0.370 0.000 0.994 31 V HN 0.921 9.111 8.190 0.000 0.000 0.442 32 A N 3.294 126.164 122.820 0.082 0.000 2.604 32 A HA 0.873 5.193 4.320 0.001 0.000 0.285 32 A C -0.544 177.050 177.584 0.016 0.000 1.095 32 A CA 0.172 52.310 52.037 0.169 0.000 0.842 32 A CB 1.034 20.198 19.000 0.274 0.000 1.385 32 A HN 1.450 9.600 8.150 0.000 0.000 0.404 33 A N 3.158 125.959 122.820 -0.031 0.000 2.479 33 A HA 1.018 5.339 4.320 0.001 0.000 0.296 33 A C -3.134 174.434 177.584 -0.028 0.000 1.121 33 A CA -2.014 49.978 52.037 -0.075 0.000 0.743 33 A CB 1.072 19.960 19.000 -0.187 0.000 1.323 33 A HN 0.447 8.597 8.150 0.000 0.000 0.415 34 P HA 0.040 4.460 4.420 0.000 0.000 0.269 34 P C -0.441 176.878 177.300 0.031 0.000 1.217 34 P CA 0.001 63.115 63.100 0.024 0.000 0.783 34 P CB 0.478 32.195 31.700 0.028 0.000 0.898 46 T N 3.328 117.905 114.554 0.038 0.000 2.953 46 T HA 0.171 4.521 4.350 0.001 0.000 0.247 46 T C 1.150 175.924 174.700 0.123 0.000 1.029 46 T CA 0.111 62.265 62.100 0.090 0.000 1.144 46 T CB 0.102 69.005 68.868 0.059 0.000 0.870 46 T HN 0.445 8.685 8.240 0.000 0.000 0.446 47 I N 2.212 122.839 120.570 0.094 0.000 3.003 47 I HA 0.390 4.561 4.170 0.001 0.000 0.294 47 I C 0.523 176.745 176.117 0.176 0.000 1.237 47 I CA -1.047 60.311 61.300 0.096 0.000 1.417 47 I CB -0.952 37.086 38.000 0.063 0.000 1.340 47 I HN 0.338 8.547 8.210 0.000 0.000 0.594 48 A N 6.917 129.794 122.820 0.095 0.000 2.548 48 A HA 0.246 4.567 4.320 0.001 0.000 0.247 48 A C 0.271 177.911 177.584 0.094 0.000 1.067 48 A CA 0.080 52.141 52.037 0.041 0.000 0.757 48 A CB -0.491 18.498 19.000 -0.018 0.000 0.996 48 A HN 1.048 9.198 8.150 0.000 0.000 0.504 49 H N 1.912 120.969 119.070 -0.021 0.000 2.851 49 H HA 0.676 5.232 4.556 0.000 0.000 0.372 49 H C -2.905 172.402 175.328 -0.034 0.000 1.158 49 H CA -2.222 53.814 56.048 -0.020 0.000 1.159 49 H CB 0.516 30.272 29.762 -0.010 0.000 1.757 49 H HN 0.544 8.824 8.280 0.000 0.000 0.546 50 P HA 0.288 4.708 4.420 0.000 0.000 0.272 50 P C -0.642 176.648 177.300 -0.017 0.000 1.223 50 P CA -0.548 62.529 63.100 -0.037 0.000 0.784 50 P CB 1.418 33.115 31.700 -0.005 0.000 0.923 51 V N 2.802 122.670 119.914 -0.076 0.000 2.697 51 V HA 0.205 4.326 4.120 0.001 0.000 0.296 51 V C 0.004 176.020 176.094 -0.130 0.000 1.140 51 V CA -0.844 61.417 62.300 -0.065 0.000 0.921 51 V CB 1.921 33.691 31.823 -0.087 0.000 1.036 51 V HN 0.564 8.754 8.190 0.000 0.000 0.438 52 R N 3.148 123.575 120.500 -0.122 0.000 2.459 52 R HA 0.865 5.205 4.340 0.001 0.000 0.281 52 R C -0.195 175.863 176.300 -0.404 0.000 1.050 52 R CA -0.417 55.516 56.100 -0.277 0.000 1.055 52 R CB 1.638 31.828 30.300 -0.182 0.000 1.045 52 R HN 0.782 9.052 8.270 0.000 0.000 0.495 53 A N 2.899 125.334 122.820 -0.642 0.000 2.442 53 A HA 0.557 4.877 4.320 0.001 0.000 0.284 53 A C -1.620 175.670 177.584 -0.490 0.000 1.058 53 A CA -0.795 50.962 52.037 -0.468 0.000 0.738 53 A CB 0.847 19.623 19.000 -0.373 0.000 1.242 53 A HN 0.635 8.785 8.150 0.000 0.000 0.421 54 Y N 1.661 122.090 120.300 0.215 0.000 2.409 54 Y HA 0.555 5.105 4.550 0.000 0.000 0.339 54 Y C -2.383 173.752 175.900 0.391 0.000 1.033 54 Y CA -2.752 55.507 58.100 0.264 0.000 1.094 54 Y CB 1.166 39.733 38.460 0.179 0.000 1.210 54 Y HN 0.439 8.719 8.280 0.000 0.000 0.456 55 P HA -0.017 4.403 4.420 0.000 0.000 0.266 55 P C -0.764 176.657 177.300 0.202 0.000 1.195 55 P CA 0.532 63.700 63.100 0.114 0.000 0.768 55 P CB 0.375 32.108 31.700 0.057 0.000 0.838 56 H N 4.184 123.289 119.070 0.058 0.000 2.600 56 H HA 0.343 4.900 4.556 0.001 0.000 0.357 56 H C -2.530 172.861 175.328 0.105 0.000 1.106 56 H CA -2.375 53.748 56.048 0.124 0.000 1.193 56 H CB 2.043 31.909 29.762 0.174 0.000 1.594 56 H HN 0.266 8.546 8.280 0.000 0.000 0.526 57 P HA 0.053 4.473 4.420 0.000 0.000 0.281 57 P C -0.411 176.972 177.300 0.137 0.000 1.286 57 P CA -0.410 62.732 63.100 0.071 0.000 0.772 57 P CB 0.628 32.303 31.700 -0.041 0.000 0.862 58 S N 5.056 120.809 115.700 0.089 0.000 2.549 58 S HA 0.231 4.702 4.470 0.001 0.000 0.283 58 S C -1.931 172.530 174.600 -0.232 0.000 1.320 58 S CA -1.263 56.874 58.200 -0.104 0.000 1.058 58 S CB -0.618 62.655 63.200 0.121 0.000 0.882 58 S HN 0.392 8.702 8.310 0.000 0.000 0.498 59 P HA -0.024 4.396 4.420 0.000 0.000 0.258 59 P C 0.399 177.543 177.300 -0.260 0.000 1.172 59 P CA -0.239 62.702 63.100 -0.265 0.000 0.762 59 P CB 0.144 31.689 31.700 -0.258 0.000 0.764 60 L N 2.826 123.795 121.223 -0.423 0.000 2.697 60 L HA 0.097 4.437 4.340 0.001 0.000 0.239 60 L C 0.448 176.845 176.870 -0.788 0.000 1.430 60 L CA 0.733 55.280 54.840 -0.488 0.000 1.193 60 L CB -1.739 40.092 42.059 -0.381 0.000 1.516 60 L HN 0.507 8.737 8.230 0.000 0.000 0.439 61 H N -0.308 118.710 119.070 -0.086 0.000 3.680 61 H HA 0.583 5.140 4.556 0.001 0.000 0.260 61 H C 0.482 175.777 175.328 -0.056 0.000 1.183 61 H CA 0.486 56.501 56.048 -0.055 0.000 1.159 61 H CB 1.382 31.122 29.762 -0.037 0.000 1.567 61 H HN 0.600 8.880 8.280 0.000 0.000 0.648 62 A N 1.366 124.155 122.820 -0.051 0.000 2.552 62 A HA 0.582 4.903 4.320 0.001 0.000 0.288 62 A C -2.548 174.882 177.584 -0.257 0.000 1.193 62 A CA -1.569 50.408 52.037 -0.101 0.000 0.713 62 A CB 0.568 19.546 19.000 -0.037 0.000 1.305 62 A HN -0.141 8.009 8.150 0.000 0.000 0.424 63 P HA 0.081 4.501 4.420 0.000 0.000 0.263 63 P C -0.374 176.583 177.300 -0.572 0.000 1.345 63 P CA 0.285 63.201 63.100 -0.307 0.000 1.119 63 P CB -0.452 31.132 31.700 -0.194 0.000 1.363 64 H N 5.090 123.852 119.070 -0.514 0.000 3.204 64 H HA -0.170 4.386 4.556 0.001 0.000 0.278 64 H C -0.862 174.244 175.328 -0.370 0.000 0.879 64 H CA 0.848 56.623 56.048 -0.455 0.000 1.410 64 H CB -0.087 29.553 29.762 -0.202 0.000 1.322 64 H HN 0.138 8.418 8.280 0.000 0.000 0.544 65 F N 4.333 124.035 119.950 -0.413 0.000 2.561 65 F HA 0.500 5.027 4.527 0.001 0.000 0.321 65 F C -2.388 173.189 175.800 -0.371 0.000 1.065 65 F CA -3.823 54.002 58.000 -0.291 0.000 0.934 65 F CB 0.144 39.051 39.000 -0.155 0.000 1.215 65 F HN 0.289 8.589 8.300 0.000 0.000 0.471 66 P HA 0.368 4.788 4.420 0.000 0.000 0.265 66 P C -0.910 176.502 177.300 0.188 0.000 1.193 66 P CA 0.279 63.494 63.100 0.191 0.000 0.765 66 P CB 0.685 32.629 31.700 0.407 0.000 0.823 67 A N 2.950 125.887 122.820 0.194 0.000 2.594 67 A HA 0.792 5.113 4.320 0.001 0.000 0.291 67 A C -1.926 175.732 177.584 0.125 0.000 1.105 67 A CA -0.390 51.804 52.037 0.261 0.000 0.694 67 A CB 1.234 20.451 19.000 0.363 0.000 1.291 67 A HN 0.386 8.536 8.150 0.000 0.000 0.410 68 Y N -0.014 120.475 120.300 0.315 0.000 2.401 68 Y HA 0.490 5.040 4.550 0.001 0.000 0.330 68 Y C 0.165 176.150 175.900 0.142 0.000 1.071 68 Y CA -0.421 57.815 58.100 0.226 0.000 1.049 68 Y CB 1.875 40.414 38.460 0.132 0.000 1.239 68 Y HN 0.849 9.129 8.280 0.000 0.000 0.437 69 R N 2.423 123.137 120.500 0.356 0.000 2.441 69 R HA 0.739 5.079 4.340 0.001 0.000 0.284 69 R C -1.645 174.789 176.300 0.224 0.000 1.070 69 R CA -0.296 55.945 56.100 0.234 0.000 1.047 69 R CB 0.755 31.266 30.300 0.352 0.000 1.016 69 R HN 0.521 8.791 8.270 0.000 0.000 0.477 70 V N 5.464 125.461 119.914 0.138 0.000 2.525 70 V HA 0.300 4.421 4.120 0.001 0.000 0.299 70 V C 0.195 176.344 176.094 0.093 0.000 1.034 70 V CA -0.773 61.575 62.300 0.081 0.000 0.863 70 V CB 1.794 33.638 31.823 0.036 0.000 0.999 70 V HN 0.851 9.041 8.190 0.000 0.000 0.423 71 R N 3.020 123.578 120.500 0.096 0.000 4.054 71 R HA 0.408 4.748 4.340 0.001 0.000 0.227 71 R C 0.700 177.048 176.300 0.080 0.000 1.902 71 R CA 0.235 56.404 56.100 0.115 0.000 1.590 71 R CB 0.126 30.522 30.300 0.159 0.000 1.245 71 R HN 0.850 9.120 8.270 0.000 0.000 0.647 72 G N -0.688 108.153 108.800 0.068 0.000 3.058 72 G HA2 0.227 4.187 3.960 0.001 0.000 0.282 72 G HA3 0.227 4.187 3.960 0.001 0.000 0.282 72 G C -0.447 174.491 174.900 0.063 0.000 1.248 72 G CA -0.477 44.667 45.100 0.073 0.000 0.822 72 G HN 0.160 8.450 8.290 0.000 0.000 0.579 73 T N -1.277 113.318 114.554 0.068 0.000 2.816 73 T HA 0.456 4.806 4.350 0.001 0.000 0.282 73 T C -1.752 172.979 174.700 0.052 0.000 0.993 73 T CA -1.089 61.044 62.100 0.054 0.000 0.994 73 T CB 1.907 70.805 68.868 0.049 0.000 1.025 73 T HN 0.083 8.323 8.240 0.000 0.000 0.529 74 P HA -0.018 4.402 4.420 0.000 0.000 0.216 74 P C 1.598 178.925 177.300 0.045 0.000 1.150 74 P CA 1.439 64.558 63.100 0.032 0.000 0.837 74 P CB -0.289 31.425 31.700 0.023 0.000 0.786 75 A N -0.287 122.564 122.820 0.052 0.000 1.930 75 A HA -0.196 4.125 4.320 0.001 0.000 0.217 75 A C 1.966 179.618 177.584 0.113 0.000 1.175 75 A CA 1.825 53.902 52.037 0.067 0.000 0.627 75 A CB -1.330 17.704 19.000 0.057 0.000 0.815 75 A HN 0.080 8.230 8.150 0.000 0.000 0.443 76 D N -0.190 120.275 120.400 0.109 0.000 2.123 76 D HA -0.145 4.495 4.640 0.001 0.000 0.196 76 D C 2.032 178.370 176.300 0.062 0.000 0.992 76 D CA 1.448 55.508 54.000 0.100 0.000 0.833 76 D CB -0.658 40.205 40.800 0.105 0.000 0.954 76 D HN 0.456 8.826 8.370 0.000 0.000 0.455 77 C N 0.262 119.598 119.300 0.060 0.000 2.413 77 C HA -0.104 4.356 4.460 0.001 0.000 0.276 77 C C 2.964 178.005 174.990 0.085 0.000 1.236 77 C CA 0.243 59.294 59.018 0.054 0.000 1.735 77 C CB -0.903 26.863 27.740 0.044 0.000 2.031 77 C HN 0.177 8.407 8.230 0.000 0.000 0.474 78 V N 1.444 121.426 119.914 0.112 0.000 2.287 78 V HA -0.264 3.856 4.120 0.001 0.000 0.248 78 V C 2.699 178.921 176.094 0.214 0.000 1.053 78 V CA 2.387 64.787 62.300 0.167 0.000 1.027 78 V CB -1.325 30.602 31.823 0.174 0.000 0.646 78 V HN 0.631 8.821 8.190 0.000 0.000 0.447 79 A N -0.428 122.526 122.820 0.223 0.000 1.858 79 A HA -0.153 4.167 4.320 0.001 0.000 0.216 79 A C 2.100 179.675 177.584 -0.016 0.000 1.190 79 A CA 1.843 53.942 52.037 0.102 0.000 0.617 79 A CB -0.607 18.439 19.000 0.078 0.000 0.827 79 A HN 0.416 8.566 8.150 0.000 0.000 0.443 80 L N 0.033 121.227 121.223 -0.048 0.000 2.083 80 L HA -0.046 4.295 4.340 0.001 0.000 0.209 80 L C 2.718 179.515 176.870 -0.122 0.000 1.083 80 L CA 1.749 56.508 54.840 -0.135 0.000 0.752 80 L CB -1.105 40.834 42.059 -0.200 0.000 0.899 80 L HN 0.420 8.650 8.230 0.000 0.000 0.433 81 G N -0.709 108.085 108.800 -0.009 0.000 2.459 81 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 81 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 81 G C 1.644 176.617 174.900 0.121 0.000 1.183 81 G CA 0.783 45.957 45.100 0.123 0.000 0.776 81 G HN 0.340 8.630 8.290 0.000 0.000 0.552 82 L N -0.254 121.030 121.223 0.102 0.000 2.187 82 L HA -0.123 4.217 4.340 0.001 0.000 0.213 82 L C 2.624 179.483 176.870 -0.019 0.000 1.100 82 L CA 1.190 56.065 54.840 0.060 0.000 0.765 82 L CB -0.372 41.705 42.059 0.029 0.000 0.904 82 L HN 0.373 8.603 8.230 0.000 0.000 0.437 83 H N 0.287 119.266 119.070 -0.152 0.000 2.399 83 H HA 0.011 4.568 4.556 0.001 0.000 0.300 83 H C 2.115 177.292 175.328 -0.251 0.000 1.048 83 H CA 1.052 56.983 56.048 -0.196 0.000 1.370 83 H CB 0.331 29.963 29.762 -0.216 0.000 1.428 83 H HN 0.281 8.561 8.280 0.000 0.000 0.534 84 L N -0.387 120.664 121.223 -0.288 0.000 2.492 84 L HA 0.018 4.358 4.340 0.001 0.000 0.223 84 L C 1.094 177.614 176.870 -0.582 0.000 1.132 84 L CA 0.524 55.057 54.840 -0.511 0.000 0.850 84 L CB -0.036 41.515 42.059 -0.847 0.000 0.966 84 L HN 0.166 8.396 8.230 0.000 0.000 0.454 85 F N -0.986 118.850 119.950 -0.190 0.000 2.817 85 F HA 0.298 4.825 4.527 0.001 0.000 0.333 85 F C 1.733 177.347 175.800 -0.309 0.000 1.085 85 F CA -0.666 57.109 58.000 -0.376 0.000 1.170 85 F CB 0.085 38.784 39.000 -0.502 0.000 1.066 85 F HN -0.061 8.239 8.300 0.000 0.000 0.564 86 G N 3.376 112.146 108.800 -0.051 0.000 2.469 86 G HA2 0.124 4.085 3.960 0.001 0.000 0.229 86 G HA3 0.124 4.085 3.960 0.001 0.000 0.229 86 G C -2.266 172.604 174.900 -0.049 0.000 1.222 86 G CA -0.432 44.639 45.100 -0.049 0.000 0.861 86 G HN -0.010 8.280 8.290 0.000 0.000 0.538 87 P HA 0.570 4.990 4.420 0.000 0.000 0.283 87 P C -0.905 176.434 177.300 0.067 0.000 1.271 87 P CA -0.607 62.502 63.100 0.016 0.000 0.841 87 P CB 2.131 33.838 31.700 0.011 0.000 1.122 88 V N 1.270 121.228 119.914 0.073 0.000 2.876 88 V HA 0.236 4.357 4.120 0.001 0.000 0.312 88 V C 0.626 176.761 176.094 0.069 0.000 1.085 88 V CA -0.333 62.030 62.300 0.105 0.000 0.945 88 V CB 2.127 34.028 31.823 0.129 0.000 1.017 88 V HN 0.566 8.756 8.190 0.000 0.000 0.428 89 D N 1.362 121.802 120.400 0.068 0.000 2.379 89 D HA 0.181 4.822 4.640 0.001 0.000 0.218 89 D C -0.083 176.222 176.300 0.008 0.000 1.006 89 D CA 0.702 54.724 54.000 0.037 0.000 0.893 89 D CB 1.379 42.210 40.800 0.052 0.000 1.019 89 D HN 0.226 8.596 8.370 0.000 0.000 0.503 90 L N 0.900 122.138 121.223 0.025 0.000 2.422 90 L HA 0.362 4.703 4.340 0.001 0.000 0.264 90 L C -1.521 175.363 176.870 0.024 0.000 0.984 90 L CA -0.797 54.045 54.840 0.003 0.000 0.819 90 L CB 2.542 44.626 42.059 0.041 0.000 1.330 90 L HN -0.347 7.883 8.230 0.000 0.000 0.410 91 V N 5.908 125.832 119.914 0.017 0.000 2.334 91 V HA 0.474 4.594 4.120 0.001 0.000 0.281 91 V C -0.185 175.940 176.094 0.051 0.000 1.016 91 V CA -0.440 61.882 62.300 0.036 0.000 0.832 91 V CB 1.268 33.117 31.823 0.043 0.000 0.999 91 V HN 0.579 8.769 8.190 0.000 0.000 0.439 92 L N 3.801 125.038 121.223 0.024 0.000 2.317 92 L HA 0.661 5.002 4.340 0.001 0.000 0.281 92 L C 0.142 177.012 176.870 -0.001 0.000 1.024 92 L CA -0.149 54.715 54.840 0.039 0.000 0.810 92 L CB 1.979 43.990 42.059 -0.080 0.000 1.240 92 L HN 0.632 8.862 8.230 0.000 0.000 0.427 93 S N 1.719 117.463 115.700 0.073 0.000 2.605 93 S HA 0.908 5.378 4.470 0.001 0.000 0.308 93 S C -0.269 174.374 174.600 0.072 0.000 1.113 93 S CA 0.207 58.427 58.200 0.033 0.000 1.049 93 S CB 1.337 64.565 63.200 0.046 0.000 1.001 93 S HN 1.010 9.320 8.310 0.000 0.000 0.480 94 G N 2.117 110.903 108.800 -0.025 0.000 2.320 94 G HA2 0.111 4.071 3.960 0.001 0.000 0.274 94 G HA3 0.111 4.071 3.960 0.001 0.000 0.274 94 G C -1.527 173.291 174.900 -0.136 0.000 1.324 94 G CA -0.314 44.782 45.100 -0.005 0.000 0.957 94 G HN 1.030 9.320 8.290 0.000 0.000 0.481 95 V N 1.607 121.447 119.914 -0.124 0.000 2.427 95 V HA 0.347 4.468 4.120 0.001 0.000 0.268 95 V C 0.760 176.904 176.094 0.083 0.000 1.046 95 V CA -0.406 61.918 62.300 0.040 0.000 0.970 95 V CB 0.853 32.735 31.823 0.099 0.000 1.001 95 V HN 0.732 8.922 8.190 0.000 0.000 0.476 96 N N 4.882 123.641 118.700 0.098 0.000 2.468 96 N HA 0.084 4.824 4.740 0.001 0.000 0.265 96 N C -0.315 175.258 175.510 0.106 0.000 1.199 96 N CA 0.031 53.131 53.050 0.083 0.000 0.928 96 N CB 0.408 38.934 38.487 0.065 0.000 1.059 96 N HN 0.625 9.005 8.380 0.000 0.000 0.467 97 L N 3.572 124.858 121.223 0.105 0.000 2.462 97 L HA 0.425 4.765 4.340 0.001 0.000 0.283 97 L C 1.018 177.926 176.870 0.063 0.000 1.166 97 L CA -0.204 54.697 54.840 0.102 0.000 0.964 97 L CB -0.619 41.505 42.059 0.108 0.000 1.294 97 L HN 0.794 9.024 8.230 0.000 0.000 0.449 98 G N 1.195 110.024 108.800 0.048 0.000 2.317 98 G HA2 0.078 4.039 3.960 0.001 0.000 0.445 98 G HA3 0.078 4.039 3.960 0.001 0.000 0.445 98 G C -0.806 174.105 174.900 0.017 0.000 1.486 98 G CA -0.368 44.748 45.100 0.028 0.000 0.991 98 G HN 0.515 8.805 8.290 0.000 0.000 0.660 99 S N -0.010 115.689 115.700 -0.001 0.000 2.672 99 S HA 0.758 5.228 4.470 0.001 0.000 0.276 99 S C 0.008 174.593 174.600 -0.025 0.000 1.207 99 S CA -0.665 57.524 58.200 -0.019 0.000 1.002 99 S CB 1.835 65.013 63.200 -0.037 0.000 0.998 99 S HN 0.698 9.008 8.310 0.000 0.000 0.542 100 N N 1.222 119.897 118.700 -0.042 0.000 2.726 100 N HA 0.366 5.107 4.740 0.001 0.000 0.253 100 N C -1.433 174.030 175.510 -0.079 0.000 1.530 100 N CA -0.111 52.908 53.050 -0.053 0.000 0.772 100 N CB 0.629 39.097 38.487 -0.033 0.000 1.220 100 N HN 0.564 8.944 8.380 0.000 0.000 0.508 101 L N -0.798 120.364 121.223 -0.101 0.000 2.304 101 L HA 0.662 5.002 4.340 0.001 0.000 0.268 101 L C 1.677 178.470 176.870 -0.129 0.000 1.010 101 L CA -0.575 54.207 54.840 -0.098 0.000 0.813 101 L CB 0.993 43.007 42.059 -0.076 0.000 1.315 101 L HN 0.366 8.596 8.230 0.000 0.000 0.445 102 G N 0.513 109.277 108.800 -0.059 0.000 2.672 102 G HA2 -0.414 3.547 3.960 0.001 0.000 0.356 102 G HA3 -0.414 3.547 3.960 0.001 0.000 0.356 102 G C 1.086 175.989 174.900 0.006 0.000 1.312 102 G CA 1.024 46.123 45.100 -0.002 0.000 0.980 102 G HN 1.041 9.331 8.290 0.000 0.000 0.540 103 H N 1.092 120.246 119.070 0.141 0.000 2.426 103 H HA -0.090 4.467 4.556 0.001 0.000 0.298 103 H C 2.213 177.638 175.328 0.161 0.000 1.107 103 H CA 1.980 58.124 56.048 0.159 0.000 1.298 103 H CB -0.567 29.198 29.762 0.006 0.000 1.377 103 H HN 0.770 9.050 8.280 0.000 0.000 0.519 104 E N 1.064 121.010 120.200 -0.423 0.000 2.209 104 E HA -0.094 4.256 4.350 0.001 0.000 0.196 104 E C 2.428 179.016 176.600 -0.021 0.000 0.993 104 E CA 1.024 57.321 56.400 -0.172 0.000 0.819 104 E CB -0.138 29.419 29.700 -0.238 0.000 0.745 104 E HN 0.548 8.908 8.360 0.000 0.000 0.477 105 I N 0.067 120.619 120.570 -0.030 0.000 2.248 105 I HA -0.293 3.877 4.170 0.001 0.000 0.248 105 I C 1.867 177.945 176.117 -0.065 0.000 1.107 105 I CA 1.309 62.565 61.300 -0.072 0.000 1.373 105 I CB -0.405 37.503 38.000 -0.153 0.000 1.055 105 I HN 0.247 8.457 8.210 0.000 0.000 0.418 106 W N 0.652 121.835 121.300 -0.194 0.000 2.302 106 W HA -0.230 4.430 4.660 0.000 0.000 0.320 106 W C 1.909 178.304 176.519 -0.206 0.000 1.241 106 W CA 1.562 58.739 57.345 -0.280 0.000 1.264 106 W CB -0.810 28.316 29.460 -0.557 0.000 1.154 106 W HN 0.241 8.421 8.180 0.000 0.000 0.483 107 H N -1.747 117.478 119.070 0.259 0.000 2.524 107 H HA 0.299 4.856 4.556 0.001 0.000 0.297 107 H C 0.063 175.444 175.328 0.088 0.000 1.115 107 H CA -0.438 55.699 56.048 0.149 0.000 1.027 107 H CB 0.229 30.065 29.762 0.123 0.000 1.591 107 H HN -0.221 8.059 8.280 0.000 0.000 0.543 108 S N 0.254 116.033 115.700 0.133 0.000 2.489 108 S HA 0.218 4.688 4.470 0.001 0.000 0.277 108 S C 1.607 176.243 174.600 0.061 0.000 1.230 108 S CA -0.452 57.794 58.200 0.076 0.000 1.053 108 S CB 0.969 64.185 63.200 0.027 0.000 0.955 108 S HN 0.590 8.900 8.310 0.000 0.000 0.488 109 G N 3.381 112.215 108.800 0.057 0.000 2.421 109 G HA2 -0.108 3.852 3.960 0.001 0.000 0.217 109 G HA3 -0.108 3.852 3.960 0.001 0.000 0.217 109 G C 1.225 176.143 174.900 0.029 0.000 1.143 109 G CA 1.113 46.239 45.100 0.044 0.000 0.784 109 G HN 0.717 9.007 8.290 0.000 0.000 0.541 110 T N 0.980 115.551 114.554 0.029 0.000 2.701 110 T HA -0.098 4.253 4.350 0.001 0.000 0.263 110 T C 2.505 177.216 174.700 0.019 0.000 1.040 110 T CA 1.158 63.274 62.100 0.026 0.000 1.147 110 T CB -0.367 68.522 68.868 0.036 0.000 0.865 110 T HN 0.030 8.270 8.240 0.000 0.000 0.426 111 V N 1.857 121.774 119.914 0.005 0.000 2.295 111 V HA -0.194 3.926 4.120 0.001 0.000 0.246 111 V C 2.954 179.035 176.094 -0.021 0.000 1.049 111 V CA 1.732 64.022 62.300 -0.018 0.000 1.024 111 V CB -1.310 30.485 31.823 -0.046 0.000 0.648 111 V HN 0.555 8.745 8.190 0.000 0.000 0.447 112 A N 0.081 122.896 122.820 -0.009 0.000 1.903 112 A HA -0.272 4.048 4.320 0.001 0.000 0.219 112 A C 2.451 180.024 177.584 -0.020 0.000 1.191 112 A CA 2.654 54.684 52.037 -0.012 0.000 0.638 112 A CB -1.015 17.993 19.000 0.014 0.000 0.823 112 A HN 0.638 8.789 8.150 0.000 0.000 0.451 113 A N -0.405 122.412 122.820 -0.004 0.000 1.908 113 A HA 0.087 4.408 4.320 0.001 0.000 0.218 113 A C 2.532 180.108 177.584 -0.013 0.000 1.181 113 A CA 2.472 54.507 52.037 -0.004 0.000 0.627 113 A CB -1.080 17.925 19.000 0.010 0.000 0.818 113 A HN 1.184 9.334 8.150 0.000 0.000 0.445 114 A N -0.266 122.553 122.820 -0.002 0.000 1.877 114 A HA -0.170 4.151 4.320 0.001 0.000 0.216 114 A C 2.122 179.697 177.584 -0.014 0.000 1.186 114 A CA 2.078 54.121 52.037 0.009 0.000 0.620 114 A CB -0.516 18.500 19.000 0.027 0.000 0.822 114 A HN 0.565 8.715 8.150 0.000 0.000 0.443 115 K N -0.889 119.484 120.400 -0.045 0.000 2.113 115 K HA -0.287 4.034 4.320 0.001 0.000 0.208 115 K C 2.260 178.804 176.600 -0.093 0.000 1.047 115 K CA 1.923 58.171 56.287 -0.065 0.000 0.928 115 K CB -0.151 32.295 32.500 -0.090 0.000 0.716 115 K HN 0.410 8.660 8.250 0.000 0.000 0.446 116 Q N 0.095 119.802 119.800 -0.156 0.000 2.061 116 Q HA -0.089 4.252 4.340 0.001 0.000 0.204 116 Q C 1.920 177.599 176.000 -0.535 0.000 0.984 116 Q CA 2.262 57.848 55.803 -0.361 0.000 0.846 116 Q CB -0.846 27.744 28.738 -0.246 0.000 0.902 116 Q HN 0.448 8.718 8.270 0.000 0.000 0.421 117 G N -1.037 107.636 108.800 -0.212 0.000 2.422 117 G HA2 -0.306 3.654 3.960 0.001 0.000 0.218 117 G HA3 -0.306 3.654 3.960 0.001 0.000 0.218 117 G C 1.350 176.207 174.900 -0.070 0.000 1.146 117 G CA 0.867 45.916 45.100 -0.085 0.000 0.769 117 G HN 0.509 8.799 8.290 0.000 0.000 0.547 118 Y N 0.879 121.076 120.300 -0.172 0.000 2.242 118 Y HA 0.078 4.629 4.550 0.001 0.000 0.291 118 Y C 2.432 178.251 175.900 -0.134 0.000 1.137 118 Y CA 1.031 59.048 58.100 -0.137 0.000 1.181 118 Y CB -0.037 38.352 38.460 -0.119 0.000 0.989 118 Y HN 0.081 8.361 8.280 0.000 0.000 0.527 119 L N -0.708 120.470 121.223 -0.074 0.000 2.551 119 L HA -0.135 4.206 4.340 0.001 0.000 0.228 119 L C 0.982 177.808 176.870 -0.074 0.000 1.153 119 L CA 0.789 55.557 54.840 -0.120 0.000 0.851 119 L CB -0.423 41.522 42.059 -0.191 0.000 0.959 119 L HN 0.274 8.504 8.230 0.000 0.000 0.451 120 F N -0.703 119.222 119.950 -0.042 0.000 2.641 120 F HA 0.264 4.791 4.527 0.001 0.000 0.302 120 F C 1.540 177.280 175.800 -0.099 0.000 1.098 120 F CA -0.059 57.910 58.000 -0.052 0.000 1.318 120 F CB 0.563 39.546 39.000 -0.028 0.000 1.035 120 F HN 0.158 8.458 8.300 0.000 0.000 0.551 121 G N 1.870 110.645 108.800 -0.043 0.000 2.182 121 G HA2 -0.265 3.695 3.960 0.001 0.000 0.248 121 G HA3 -0.265 3.695 3.960 0.001 0.000 0.248 121 G C -0.365 174.435 174.900 -0.167 0.000 1.042 121 G CA -0.219 44.785 45.100 -0.160 0.000 0.775 121 G HN 0.290 8.580 8.290 0.000 0.000 0.501 122 L N -0.259 120.859 121.223 -0.174 0.000 2.341 122 L HA 0.669 5.009 4.340 0.001 0.000 0.267 122 L C 0.623 177.353 176.870 -0.234 0.000 1.009 122 L CA -1.072 53.681 54.840 -0.145 0.000 0.819 122 L CB 1.999 44.038 42.059 -0.034 0.000 1.323 122 L HN 0.097 8.327 8.230 0.000 0.000 0.425 123 S N 0.861 116.373 115.700 -0.312 0.000 2.565 123 S HA 0.681 5.151 4.470 0.001 0.000 0.276 123 S C -0.088 174.259 174.600 -0.423 0.000 1.326 123 S CA -0.448 57.378 58.200 -0.624 0.000 1.045 123 S CB 1.335 63.808 63.200 -1.212 0.000 0.918 123 S HN 0.688 8.998 8.310 0.000 0.000 0.505 124 A N 1.378 124.008 122.820 -0.317 0.000 2.594 124 A HA 0.872 5.192 4.320 0.001 0.000 0.295 124 A C -1.138 176.562 177.584 0.192 0.000 1.071 124 A CA -0.600 51.434 52.037 -0.004 0.000 0.685 124 A CB 1.426 20.451 19.000 0.041 0.000 1.285 124 A HN 1.112 9.262 8.150 0.000 0.000 0.405 125 A N 0.118 123.086 122.820 0.246 0.000 2.486 125 A HA 0.908 5.228 4.320 0.001 0.000 0.300 125 A C -0.316 177.401 177.584 0.222 0.000 1.048 125 A CA 0.065 52.241 52.037 0.231 0.000 0.696 125 A CB 1.378 20.547 19.000 0.282 0.000 1.278 125 A HN 2.479 10.629 8.150 0.000 0.000 0.405 126 A N 1.055 123.920 122.820 0.074 0.000 2.317 126 A HA 0.836 5.156 4.320 0.001 0.000 0.327 126 A C -1.258 176.349 177.584 0.038 0.000 1.178 126 A CA -0.281 51.825 52.037 0.115 0.000 0.817 126 A CB 0.236 19.250 19.000 0.024 0.000 1.189 126 A HN 0.724 8.874 8.150 0.000 0.000 0.489 127 F N 1.068 121.012 119.950 -0.009 0.000 2.507 127 F HA 0.655 5.183 4.527 0.001 0.000 0.325 127 F C 0.557 176.358 175.800 0.003 0.000 1.116 127 F CA -0.132 57.867 58.000 -0.003 0.000 0.930 127 F CB 2.553 41.555 39.000 0.005 0.000 1.146 127 F HN 0.498 8.798 8.300 0.000 0.000 0.447 128 S N 1.270 117.052 115.700 0.137 0.000 2.618 128 S HA 0.754 5.225 4.470 0.001 0.000 0.277 128 S C -1.550 173.096 174.600 0.077 0.000 1.138 128 S CA -0.861 57.395 58.200 0.093 0.000 0.844 128 S CB 2.450 65.668 63.200 0.030 0.000 1.127 128 S HN 0.492 8.802 8.310 0.000 0.000 0.474 129 V N 3.296 123.250 119.914 0.068 0.000 2.569 129 V HA 0.565 4.686 4.120 0.001 0.000 0.301 129 V C -2.654 173.438 176.094 -0.002 0.000 1.044 129 V CA -2.387 59.931 62.300 0.030 0.000 0.874 129 V CB 2.058 33.916 31.823 0.058 0.000 1.002 129 V HN 0.742 8.932 8.190 0.000 0.000 0.424 130 P HA 0.035 4.455 4.420 0.000 0.000 0.261 130 P C -0.440 176.839 177.300 -0.036 0.000 1.183 130 P CA 0.369 63.446 63.100 -0.039 0.000 0.761 130 P CB 1.204 32.866 31.700 -0.063 0.000 0.785 131 L N 4.019 125.230 121.223 -0.019 0.000 2.665 131 L HA 0.331 4.672 4.340 0.001 0.000 0.201 131 L C 0.385 177.244 176.870 -0.018 0.000 1.805 131 L CA -0.374 54.456 54.840 -0.016 0.000 3.015 131 L CB -1.003 41.059 42.059 0.005 0.000 2.866 131 L HN 0.569 8.799 8.230 0.000 0.000 0.765 132 N N 0.048 118.745 118.700 -0.006 0.000 2.473 132 N HA -0.172 4.568 4.740 0.001 0.000 0.298 132 N C 0.330 175.832 175.510 -0.014 0.000 1.390 132 N CA 0.347 53.394 53.050 -0.005 0.000 0.659 132 N CB -0.606 37.879 38.487 -0.003 0.000 0.968 132 N HN 0.958 9.338 8.380 0.000 0.000 0.508 133 G N 1.893 110.686 108.800 -0.011 0.000 2.780 133 G HA2 -0.241 3.719 3.960 0.001 0.000 0.237 133 G HA3 -0.241 3.719 3.960 0.001 0.000 0.237 133 G C -0.647 174.241 174.900 -0.020 0.000 1.965 133 G CA 0.137 45.227 45.100 -0.017 0.000 1.577 133 G HN 0.725 9.015 8.290 0.000 0.000 0.543 134 E N 1.203 121.384 120.200 -0.031 0.000 2.175 134 E HA 0.579 4.929 4.350 0.001 0.000 0.278 134 E C 0.206 176.776 176.600 -0.049 0.000 0.969 134 E CA -0.563 55.813 56.400 -0.039 0.000 0.796 134 E CB 2.476 32.147 29.700 -0.048 0.000 1.104 134 E HN 1.106 9.466 8.360 0.000 0.000 0.395 135 V N 0.294 120.179 119.914 -0.050 0.000 2.607 135 V HA 0.378 4.498 4.120 0.001 0.000 0.289 135 V C -1.690 174.322 176.094 -0.138 0.000 1.053 135 V CA -1.938 60.322 62.300 -0.067 0.000 0.996 135 V CB 0.303 32.107 31.823 -0.032 0.000 0.995 135 V HN 0.736 8.926 8.190 0.000 0.000 0.476 136 P HA 0.066 4.486 4.420 0.000 0.000 0.269 136 P C -0.982 176.020 177.300 -0.498 0.000 1.211 136 P CA 0.254 63.105 63.100 -0.414 0.000 0.781 136 P CB 0.556 31.873 31.700 -0.637 0.000 0.877 137 D N 0.560 120.694 120.400 -0.443 0.000 2.453 137 D HA 0.206 4.847 4.640 0.001 0.000 0.238 137 D C 0.099 176.245 176.300 -0.258 0.000 1.088 137 D CA -0.643 53.196 54.000 -0.270 0.000 0.854 137 D CB 0.050 40.783 40.800 -0.110 0.000 1.076 137 D HN 0.020 8.390 8.370 0.000 0.000 0.533 138 F N 2.407 122.399 119.950 0.069 0.000 2.456 138 F HA 0.160 4.688 4.527 0.001 0.000 0.298 138 F C 2.441 178.296 175.800 0.093 0.000 1.104 138 F CA 0.594 58.645 58.000 0.085 0.000 1.435 138 F CB -0.497 38.554 39.000 0.085 0.000 1.078 138 F HN 0.536 8.836 8.300 0.000 0.000 0.546 139 A N 0.142 123.096 122.820 0.224 0.000 1.933 139 A HA -0.043 4.278 4.320 0.001 0.000 0.218 139 A C 2.518 180.196 177.584 0.157 0.000 1.175 139 A CA 1.778 53.914 52.037 0.165 0.000 0.628 139 A CB -1.387 17.680 19.000 0.112 0.000 0.814 139 A HN 0.374 8.524 8.150 0.000 0.000 0.444 140 G N -1.302 107.589 108.800 0.152 0.000 2.777 140 G HA2 0.199 4.160 3.960 0.001 0.000 0.211 140 G HA3 0.199 4.160 3.960 0.001 0.000 0.211 140 G C 1.315 176.393 174.900 0.297 0.000 1.149 140 G CA 0.389 45.597 45.100 0.180 0.000 0.785 140 G HN 0.405 8.695 8.290 0.000 0.000 0.536 141 L N -0.537 120.864 121.223 0.295 0.000 2.416 141 L HA 0.223 4.563 4.340 0.001 0.000 0.216 141 L C 2.722 179.831 176.870 0.398 0.000 1.098 141 L CA -0.018 55.060 54.840 0.397 0.000 0.840 141 L CB -0.134 42.124 42.059 0.332 0.000 0.981 141 L HN 0.150 8.380 8.230 0.000 0.000 0.462 142 R N 0.972 121.645 120.500 0.289 0.000 2.113 142 R HA -0.214 4.127 4.340 0.001 0.000 0.244 142 R C -0.563 175.826 176.300 0.148 0.000 1.142 142 R CA 2.057 58.278 56.100 0.202 0.000 0.953 142 R CB -1.038 29.353 30.300 0.152 0.000 0.860 142 R HN 0.212 8.482 8.270 0.000 0.000 0.438 143 P HA -0.138 4.282 4.420 0.000 0.000 0.217 143 P C 0.222 177.443 177.300 -0.133 0.000 1.150 143 P CA 1.362 64.393 63.100 -0.114 0.000 0.832 143 P CB -0.166 31.357 31.700 -0.294 0.000 0.787 144 W N -1.157 120.210 121.300 0.112 0.000 2.467 144 W HA 0.062 4.722 4.660 0.001 0.000 0.275 144 W C 2.051 178.667 176.519 0.162 0.000 1.239 144 W CA 0.210 57.633 57.345 0.129 0.000 1.266 144 W CB -0.833 28.702 29.460 0.126 0.000 1.112 144 W HN -0.119 8.061 8.180 0.000 0.000 0.576 145 L N -0.357 121.086 121.223 0.368 0.000 2.044 145 L HA -0.165 4.176 4.340 0.001 0.000 0.205 145 L C 2.259 179.266 176.870 0.227 0.000 1.075 145 L CA 1.031 56.045 54.840 0.290 0.000 0.747 145 L CB -0.858 41.309 42.059 0.179 0.000 0.903 145 L HN 0.011 8.241 8.230 0.000 0.000 0.435 146 L N -0.852 120.496 121.223 0.208 0.000 2.017 146 L HA -0.195 4.146 4.340 0.001 0.000 0.208 146 L C 2.864 179.865 176.870 0.219 0.000 1.073 146 L CA 0.938 55.943 54.840 0.276 0.000 0.745 146 L CB -0.682 41.493 42.059 0.195 0.000 0.894 146 L HN 0.258 8.488 8.230 0.000 0.000 0.432 147 R N 0.237 120.801 120.500 0.107 0.000 2.091 147 R HA -0.141 4.200 4.340 0.001 0.000 0.238 147 R C 2.183 178.486 176.300 0.005 0.000 1.136 147 R CA 2.219 58.334 56.100 0.025 0.000 0.959 147 R CB -0.736 29.539 30.300 -0.042 0.000 0.856 147 R HN 0.317 8.587 8.270 0.000 0.000 0.437 148 T N 1.895 116.520 114.554 0.118 0.000 2.737 148 T HA -0.081 4.269 4.350 0.001 0.000 0.265 148 T C 2.021 176.738 174.700 0.028 0.000 1.038 148 T CA 1.278 63.442 62.100 0.107 0.000 1.144 148 T CB -0.204 68.844 68.868 0.300 0.000 0.866 148 T HN 0.161 8.401 8.240 0.000 0.000 0.434 149 L N 0.667 121.915 121.223 0.043 0.000 2.012 149 L HA -0.178 4.162 4.340 0.001 0.000 0.210 149 L C 2.744 179.454 176.870 -0.266 0.000 1.073 149 L CA 1.613 56.336 54.840 -0.194 0.000 0.748 149 L CB -0.574 41.148 42.059 -0.562 0.000 0.891 149 L HN 0.343 8.573 8.230 0.000 0.000 0.431 150 E N -0.613 119.539 120.200 -0.081 0.000 2.070 150 E HA -0.224 4.127 4.350 0.001 0.000 0.197 150 E C 2.043 178.623 176.600 -0.034 0.000 1.004 150 E CA 2.019 58.459 56.400 0.068 0.000 0.805 150 E CB -0.212 29.576 29.700 0.146 0.000 0.744 150 E HN 0.478 8.838 8.360 0.000 0.000 0.451 151 T N 1.401 115.889 114.554 -0.112 0.000 2.720 151 T HA -0.142 4.209 4.350 0.001 0.000 0.268 151 T C 1.932 176.588 174.700 -0.073 0.000 1.037 151 T CA 0.921 62.936 62.100 -0.143 0.000 1.144 151 T CB -0.211 68.418 68.868 -0.398 0.000 0.864 151 T HN 0.089 8.329 8.240 0.000 0.000 0.444 152 L N 0.322 121.467 121.223 -0.131 0.000 2.093 152 L HA 0.034 4.375 4.340 0.001 0.000 0.208 152 L C 2.307 178.991 176.870 -0.309 0.000 1.085 152 L CA 0.972 55.643 54.840 -0.282 0.000 0.755 152 L CB -0.578 41.306 42.059 -0.292 0.000 0.904 152 L HN 0.246 8.476 8.230 0.000 0.000 0.435 153 L N -0.503 120.653 121.223 -0.112 0.000 2.549 153 L HA -0.125 4.216 4.340 0.001 0.000 0.229 153 L C 2.364 179.261 176.870 0.045 0.000 1.158 153 L CA 0.700 55.553 54.840 0.022 0.000 0.842 153 L CB -0.351 41.731 42.059 0.039 0.000 0.952 153 L HN 0.223 8.453 8.230 0.000 0.000 0.452 154 R N -0.749 119.750 120.500 -0.001 0.000 2.254 154 R HA 0.175 4.515 4.340 0.001 0.000 0.195 154 R C 0.489 176.796 176.300 0.011 0.000 0.957 154 R CA -0.124 55.987 56.100 0.018 0.000 1.024 154 R CB 0.173 30.479 30.300 0.010 0.000 0.952 154 R HN 0.225 8.495 8.270 0.000 0.000 0.484 155 L N 1.898 123.101 121.223 -0.034 0.000 2.461 155 L HA 0.028 4.369 4.340 0.001 0.000 0.272 155 L C 0.664 177.602 176.870 0.112 0.000 1.197 155 L CA 0.030 54.855 54.840 -0.024 0.000 0.836 155 L CB 0.323 42.266 42.059 -0.193 0.000 1.105 155 L HN 0.142 8.372 8.230 0.000 0.000 0.477 156 E N 3.217 123.475 120.200 0.096 0.000 2.366 156 E HA 0.046 4.396 4.350 0.001 0.000 0.266 156 E C -0.543 176.186 176.600 0.216 0.000 1.015 156 E CA -0.309 56.162 56.400 0.119 0.000 0.906 156 E CB 0.577 30.317 29.700 0.066 0.000 0.979 156 E HN 0.379 8.739 8.360 0.000 0.000 0.443 157 R N 4.686 125.301 120.500 0.191 0.000 2.457 157 R HA 0.368 4.708 4.340 0.001 0.000 0.284 157 R C -1.846 174.490 176.300 0.061 0.000 1.024 157 R CA -1.585 54.611 56.100 0.160 0.000 1.025 157 R CB 0.366 30.729 30.300 0.104 0.000 1.063 157 R HN 0.521 8.791 8.270 0.000 0.000 0.493 158 P HA 0.246 4.666 4.420 0.000 0.000 0.281 158 P C -1.192 176.187 177.300 0.132 0.000 1.249 158 P CA -0.385 62.667 63.100 -0.080 0.000 0.810 158 P CB 0.675 32.212 31.700 -0.271 0.000 1.008 159 F N 0.091 120.173 119.950 0.221 0.000 2.593 159 F HA 0.719 5.246 4.527 0.001 0.000 0.320 159 F C -1.402 174.559 175.800 0.270 0.000 1.060 159 F CA -1.720 56.423 58.000 0.238 0.000 0.940 159 F CB 1.190 40.277 39.000 0.146 0.000 1.268 159 F HN 0.109 8.409 8.300 0.000 0.000 0.475 160 L N 3.131 124.550 121.223 0.328 0.000 2.471 160 L HA 0.750 5.090 4.340 0.001 0.000 0.263 160 L C -1.771 175.181 176.870 0.138 0.000 0.985 160 L CA -0.429 54.464 54.840 0.088 0.000 0.868 160 L CB 1.379 43.175 42.059 -0.438 0.000 1.203 160 L HN 0.629 8.859 8.230 0.000 0.000 0.429 161 V N 3.664 123.712 119.914 0.224 0.000 2.604 161 V HA 0.547 4.667 4.120 0.001 0.000 0.305 161 V C -0.467 175.616 176.094 -0.019 0.000 1.043 161 V CA -0.763 61.608 62.300 0.117 0.000 0.888 161 V CB 2.091 34.005 31.823 0.152 0.000 0.995 161 V HN 0.739 8.929 8.190 0.000 0.000 0.429 162 N N 2.801 121.457 118.700 -0.072 0.000 2.425 162 N HA 0.540 5.280 4.740 0.001 0.000 0.268 162 N C -1.116 174.262 175.510 -0.220 0.000 0.991 162 N CA -0.139 52.831 53.050 -0.132 0.000 0.931 162 N CB 1.557 39.980 38.487 -0.106 0.000 1.130 162 N HN 0.428 8.808 8.380 0.000 0.000 0.493 163 V N 3.581 123.295 119.914 -0.333 0.000 2.495 163 V HA 0.484 4.604 4.120 0.001 0.000 0.298 163 V C -0.479 175.453 176.094 -0.270 0.000 1.031 163 V CA -0.853 61.198 62.300 -0.416 0.000 0.871 163 V CB 1.466 32.818 31.823 -0.785 0.000 0.988 163 V HN 0.694 8.884 8.190 0.000 0.000 0.432 164 N N 3.764 122.331 118.700 -0.221 0.000 2.346 164 N HA 0.762 5.503 4.740 0.001 0.000 0.289 164 N C -1.597 173.827 175.510 -0.144 0.000 1.027 164 N CA -0.514 52.453 53.050 -0.139 0.000 0.864 164 N CB 2.019 40.431 38.487 -0.126 0.000 1.370 164 N HN 0.456 8.836 8.380 0.000 0.000 0.481 165 L N 3.200 124.371 121.223 -0.087 0.000 2.356 165 L HA 0.619 4.960 4.340 0.001 0.000 0.277 165 L C -2.144 174.643 176.870 -0.138 0.000 0.996 165 L CA -1.749 53.024 54.840 -0.112 0.000 0.822 165 L CB 1.426 43.474 42.059 -0.019 0.000 1.256 165 L HN 0.406 8.636 8.230 0.000 0.000 0.413 166 P HA 0.168 4.588 4.420 0.000 0.000 0.273 166 P C 0.831 178.010 177.300 -0.203 0.000 1.250 166 P CA -0.427 62.549 63.100 -0.207 0.000 0.793 166 P CB 1.169 32.712 31.700 -0.262 0.000 1.011 167 L N 0.084 121.204 121.223 -0.172 0.000 2.046 167 L HA -0.100 4.241 4.340 0.001 0.000 0.208 167 L C 1.495 178.267 176.870 -0.164 0.000 1.077 167 L CA 1.812 56.558 54.840 -0.156 0.000 0.747 167 L CB -0.487 41.492 42.059 -0.133 0.000 0.896 167 L HN 0.328 8.558 8.230 0.000 0.000 0.432 168 R N -0.468 119.920 120.500 -0.185 0.000 2.587 168 R HA 0.293 4.634 4.340 0.001 0.000 0.283 168 R C -2.395 173.734 176.300 -0.286 0.000 1.472 168 R CA -1.646 54.353 56.100 -0.168 0.000 1.578 168 R CB 0.560 30.802 30.300 -0.097 0.000 1.130 168 R HN -0.007 8.263 8.270 0.000 0.000 0.602 169 P HA 0.001 4.421 4.420 0.000 0.000 0.270 169 P C -0.293 176.615 177.300 -0.653 0.000 1.223 169 P CA -0.219 62.367 63.100 -0.856 0.000 0.785 169 P CB 0.650 31.343 31.700 -1.678 0.000 0.923 170 K N 0.299 120.477 120.400 -0.370 0.000 2.932 170 K HA 0.573 4.893 4.320 0.001 0.000 0.194 170 K C -0.129 176.694 176.600 0.373 0.000 1.132 170 K CA -0.617 55.748 56.287 0.130 0.000 1.071 170 K CB 0.041 32.606 32.500 0.108 0.000 0.727 170 K HN 0.620 8.870 8.250 0.000 0.000 0.441 171 G N 0.791 109.770 108.800 0.298 0.000 2.321 171 G HA2 0.316 4.276 3.960 0.001 0.000 0.298 171 G HA3 0.316 4.276 3.960 0.001 0.000 0.298 171 G C -2.393 172.684 174.900 0.295 0.000 1.385 171 G CA -0.972 44.344 45.100 0.361 0.000 0.856 171 G HN 0.142 8.432 8.290 0.000 0.000 0.584 172 F N -0.360 119.587 119.950 -0.005 0.000 2.588 172 F HA 0.891 5.419 4.527 0.001 0.000 0.310 172 F C -1.500 174.201 175.800 -0.165 0.000 1.082 172 F CA -1.096 56.874 58.000 -0.050 0.000 0.929 172 F CB 2.195 41.192 39.000 -0.005 0.000 1.254 172 F HN 0.667 8.967 8.300 0.000 0.000 0.455 173 L N 4.563 125.322 121.223 -0.773 0.000 2.592 173 L HA 0.387 4.727 4.340 0.001 0.000 0.258 173 L C -1.954 174.562 176.870 -0.590 0.000 0.926 173 L CA -0.487 54.130 54.840 -0.372 0.000 0.885 173 L CB 1.526 43.493 42.059 -0.152 0.000 1.380 173 L HN 0.699 8.929 8.230 0.000 0.000 0.415 174 W N 2.996 124.222 121.300 -0.122 0.000 2.202 174 W HA 0.606 5.266 4.660 0.001 0.000 0.332 174 W C 0.439 176.916 176.519 -0.070 0.000 1.263 174 W CA 0.464 57.758 57.345 -0.085 0.000 1.223 174 W CB 1.539 31.023 29.460 0.041 0.000 1.128 174 W HN 0.640 8.820 8.180 0.000 0.000 0.573 175 T N -0.082 114.565 114.554 0.156 0.000 2.864 175 T HA 0.692 5.042 4.350 0.001 0.000 0.299 175 T C -0.643 174.111 174.700 0.091 0.000 1.166 175 T CA -1.458 60.700 62.100 0.097 0.000 1.007 175 T CB 1.926 70.812 68.868 0.030 0.000 1.219 175 T HN 0.573 8.813 8.240 0.000 0.000 0.506 176 R N 0.568 121.107 120.500 0.066 0.000 2.758 176 R HA 0.562 4.902 4.340 0.001 0.000 0.265 176 R C -0.283 176.036 176.300 0.031 0.000 1.016 176 R CA -0.996 55.129 56.100 0.042 0.000 1.040 176 R CB 1.170 31.490 30.300 0.032 0.000 1.152 176 R HN 0.786 9.056 8.270 0.000 0.000 0.503 177 Q N 1.463 121.274 119.800 0.017 0.000 2.311 177 Q HA 0.023 4.364 4.340 0.001 0.000 0.272 177 Q C -0.560 175.468 176.000 0.047 0.000 1.012 177 Q CA 0.093 55.907 55.803 0.019 0.000 0.891 177 Q CB 0.950 29.690 28.738 0.003 0.000 1.201 177 Q HN 0.624 8.894 8.270 0.000 0.000 0.391 178 S N 2.718 118.454 115.700 0.059 0.000 2.549 178 S HA 0.219 4.689 4.470 0.001 0.000 0.283 178 S C -0.682 173.988 174.600 0.116 0.000 1.320 178 S CA -0.539 57.712 58.200 0.084 0.000 1.058 178 S CB 0.406 63.662 63.200 0.093 0.000 0.882 178 S HN 0.476 8.786 8.310 0.000 0.000 0.498 179 V N 7.316 127.298 119.914 0.114 0.000 2.380 179 V HA 0.424 4.544 4.120 0.001 0.000 0.272 179 V C -0.022 176.151 176.094 0.132 0.000 1.011 179 V CA -0.615 61.770 62.300 0.141 0.000 0.826 179 V CB 0.869 32.758 31.823 0.110 0.000 1.040 179 V HN 0.842 9.032 8.190 0.000 0.000 0.441 180 R N 2.178 122.788 120.500 0.184 0.000 2.787 180 R HA 0.873 5.214 4.340 0.001 0.000 0.271 180 R C 0.037 176.432 176.300 0.157 0.000 0.993 180 R CA -0.546 55.620 56.100 0.109 0.000 0.993 180 R CB 2.210 32.518 30.300 0.012 0.000 1.155 180 R HN 0.679 8.949 8.270 0.000 0.000 0.486 181 A N 1.457 124.307 122.820 0.050 0.000 2.304 181 A HA 0.496 4.817 4.320 0.001 0.000 0.271 181 A C -1.181 176.407 177.584 0.005 0.000 1.091 181 A CA -0.003 52.088 52.037 0.090 0.000 0.812 181 A CB 0.373 19.394 19.000 0.036 0.000 1.056 181 A HN 0.605 8.755 8.150 0.000 0.000 0.489 182 Y N -0.879 119.421 120.300 0.001 0.000 2.605 182 Y HA 0.502 5.053 4.550 0.001 0.000 0.343 182 Y C 0.143 176.051 175.900 0.014 0.000 1.036 182 Y CA -0.492 57.608 58.100 -0.000 0.000 1.065 182 Y CB 2.027 40.473 38.460 -0.024 0.000 1.288 182 Y HN 0.793 9.073 8.280 0.000 0.000 0.481 183 E N 0.159 120.461 120.200 0.170 0.000 2.234 183 E HA 0.623 4.974 4.350 0.001 0.000 0.266 183 E C -0.889 175.832 176.600 0.200 0.000 0.877 183 E CA -1.201 55.278 56.400 0.132 0.000 0.758 183 E CB 1.884 31.622 29.700 0.063 0.000 1.170 183 E HN 0.791 9.151 8.360 0.000 0.000 0.415 184 G N 2.709 111.634 108.800 0.209 0.000 2.546 184 G HA2 0.343 4.303 3.960 0.001 0.000 0.320 184 G HA3 0.343 4.303 3.960 0.001 0.000 0.320 184 G C -0.173 174.912 174.900 0.309 0.000 0.984 184 G CA -0.575 44.734 45.100 0.348 0.000 1.183 184 G HN 0.381 8.671 8.290 0.000 0.000 0.443 185 V N 3.283 123.376 119.914 0.298 0.000 2.415 185 V HA 0.103 4.223 4.120 0.001 0.000 0.267 185 V C 0.148 176.449 176.094 0.345 0.000 1.042 185 V CA -0.169 62.269 62.300 0.229 0.000 1.000 185 V CB 0.971 32.874 31.823 0.132 0.000 1.015 185 V HN 0.408 8.598 8.190 0.000 0.000 0.478 186 V N 7.593 127.675 119.914 0.280 0.000 2.305 186 V HA 0.468 4.589 4.120 0.001 0.000 0.275 186 V C -0.181 176.082 176.094 0.282 0.000 1.020 186 V CA -0.283 62.206 62.300 0.316 0.000 0.811 186 V CB 1.024 32.959 31.823 0.186 0.000 1.031 186 V HN 0.674 8.864 8.190 0.000 0.000 0.439 187 I N 6.519 127.278 120.570 0.315 0.000 2.412 187 I HA 0.502 4.672 4.170 0.001 0.000 0.296 187 I C -2.429 173.834 176.117 0.245 0.000 0.987 187 I CA -2.075 59.368 61.300 0.239 0.000 1.180 187 I CB 2.287 40.397 38.000 0.185 0.000 1.340 187 I HN 0.363 8.573 8.210 0.000 0.000 0.455 188 P HA 0.436 4.856 4.420 0.000 0.000 0.276 188 P C -0.204 176.952 177.300 -0.240 0.000 1.244 188 P CA -0.257 62.729 63.100 -0.190 0.000 0.801 188 P CB 1.164 32.718 31.700 -0.244 0.000 1.006 189 G N 0.059 108.454 108.800 -0.674 0.000 2.650 189 G HA2 0.672 4.632 3.960 0.001 0.000 0.310 189 G HA3 0.672 4.632 3.960 0.001 0.000 0.310 189 G C -1.900 172.382 174.900 -1.030 0.000 1.270 189 G CA -0.703 43.958 45.100 -0.731 0.000 0.810 189 G HN 0.572 8.862 8.290 0.000 0.000 0.493 190 E N 0.039 119.829 120.200 -0.682 0.000 2.478 190 E HA 0.317 4.667 4.350 0.001 0.000 0.293 190 E C -1.633 175.142 176.600 0.293 0.000 1.011 190 E CA -0.919 55.400 56.400 -0.135 0.000 0.834 190 E CB 1.349 30.982 29.700 -0.112 0.000 1.226 190 E HN 0.583 8.943 8.360 0.000 0.000 0.419 191 D N 2.478 123.107 120.400 0.382 0.000 2.372 191 D HA 0.075 4.716 4.640 0.001 0.000 0.243 191 D C -1.449 174.922 176.300 0.118 0.000 1.297 191 D CA -1.595 52.528 54.000 0.206 0.000 0.958 191 D CB -0.136 40.710 40.800 0.075 0.000 1.114 191 D HN 0.330 8.700 8.370 0.000 0.000 0.496 192 P HA 0.131 4.551 4.420 0.000 0.000 0.237 192 P C -0.150 177.172 177.300 0.037 0.000 1.723 192 P CA 0.228 63.361 63.100 0.055 0.000 0.882 192 P CB -0.229 31.500 31.700 0.048 0.000 1.810 193 M N -1.787 117.835 119.600 0.037 0.000 2.722 193 M HA 0.198 4.678 4.480 0.001 0.000 0.451 193 M C 1.103 177.415 176.300 0.020 0.000 1.225 193 M CA 0.306 55.620 55.300 0.023 0.000 0.874 193 M CB 1.021 33.632 32.600 0.018 0.000 1.736 193 M HN 0.208 8.498 8.290 0.000 0.000 0.584 194 G N 1.914 110.728 108.800 0.023 0.000 2.458 194 G HA2 -0.296 3.664 3.960 0.001 0.000 0.237 194 G HA3 -0.296 3.664 3.960 0.001 0.000 0.237 194 G C 0.413 175.315 174.900 0.003 0.000 1.113 194 G CA 0.417 45.521 45.100 0.007 0.000 0.655 194 G HN 0.470 8.760 8.290 0.000 0.000 0.513 195 R N 2.752 123.263 120.500 0.019 0.000 2.481 195 R HA 0.142 4.482 4.340 0.001 0.000 0.291 195 R C -1.920 174.398 176.300 0.030 0.000 0.934 195 R CA 0.216 56.331 56.100 0.024 0.000 1.116 195 R CB 0.146 30.468 30.300 0.036 0.000 0.895 195 R HN 0.325 8.595 8.270 0.000 0.000 0.410 196 P HA 0.152 4.572 4.420 0.000 0.000 0.279 196 P C -1.203 176.059 177.300 -0.064 0.000 1.239 196 P CA -0.074 62.948 63.100 -0.129 0.000 0.789 196 P CB 0.625 32.231 31.700 -0.155 0.000 0.933 197 F N 0.502 120.273 119.950 -0.299 0.000 2.693 197 F HA 0.568 5.096 4.527 0.001 0.000 0.309 197 F C -2.121 173.430 175.800 -0.414 0.000 1.129 197 F CA -1.558 56.265 58.000 -0.295 0.000 0.948 197 F CB 0.645 39.488 39.000 -0.262 0.000 1.315 197 F HN 0.107 8.407 8.300 0.000 0.000 0.447 198 Y N 1.093 121.499 120.300 0.176 0.000 2.342 198 Y HA 0.407 4.957 4.550 0.001 0.000 0.334 198 Y C -0.891 175.202 175.900 0.322 0.000 1.067 198 Y CA -0.682 57.497 58.100 0.133 0.000 1.128 198 Y CB 1.413 39.945 38.460 0.119 0.000 1.200 198 Y HN 0.688 8.968 8.280 0.000 0.000 0.464 199 W N 5.148 126.694 121.300 0.409 0.000 2.332 199 W HA 0.387 5.048 4.660 0.001 0.000 0.306 199 W C -0.880 175.858 176.519 0.366 0.000 1.149 199 W CA -0.583 56.999 57.345 0.395 0.000 1.271 199 W CB 0.680 30.302 29.460 0.271 0.000 1.243 199 W HN 0.417 8.597 8.180 0.000 0.000 0.459 200 F N 4.201 124.433 119.950 0.470 0.000 2.477 200 F HA 0.743 5.270 4.527 0.001 0.000 0.335 200 F C -0.487 175.456 175.800 0.239 0.000 1.130 200 F CA -0.848 57.321 58.000 0.282 0.000 0.948 200 F CB 0.975 40.084 39.000 0.182 0.000 1.154 200 F HN 0.282 8.582 8.300 0.000 0.000 0.439 201 A N 8.136 130.676 122.820 -0.467 0.000 2.599 201 A HA 0.529 4.850 4.320 0.001 0.000 0.281 201 A C -3.083 174.261 177.584 -0.401 0.000 1.137 201 A CA -1.460 50.267 52.037 -0.516 0.000 0.767 201 A CB 0.771 19.676 19.000 -0.159 0.000 1.266 201 A HN 0.459 8.609 8.150 0.000 0.000 0.420 202 P HA 0.490 4.910 4.420 0.000 0.000 0.275 202 P C -0.796 176.591 177.300 0.144 0.000 1.228 202 P CA -0.063 63.032 63.100 -0.008 0.000 0.786 202 P CB 1.005 32.719 31.700 0.024 0.000 0.927 203 R N 2.104 122.744 120.500 0.234 0.000 2.626 203 R HA 0.462 4.802 4.340 0.001 0.000 0.274 203 R C -2.550 173.543 176.300 -0.346 0.000 1.031 203 R CA -2.196 53.933 56.100 0.049 0.000 0.898 203 R CB 2.377 32.668 30.300 -0.016 0.000 1.222 203 R HN 0.381 8.651 8.270 0.000 0.000 0.455 204 P HA 0.070 4.490 4.420 0.000 0.000 0.272 204 P C 0.052 177.112 177.300 -0.400 0.000 1.223 204 P CA -0.114 62.384 63.100 -1.003 0.000 0.784 204 P CB 0.949 32.207 31.700 -0.737 0.000 0.923 205 L N 0.751 121.800 121.223 -0.290 0.000 2.628 205 L HA 0.177 4.518 4.340 0.001 0.000 0.229 205 L C 1.221 178.032 176.870 -0.098 0.000 1.137 205 L CA 0.415 55.170 54.840 -0.142 0.000 0.909 205 L CB -0.524 41.481 42.059 -0.089 0.000 1.137 205 L HN 0.523 8.753 8.230 0.000 0.000 0.470 206 K N -1.869 118.467 120.400 -0.107 0.000 2.556 206 K HA 0.473 4.793 4.320 0.001 0.000 0.289 206 K C -1.038 175.533 176.600 -0.049 0.000 1.040 206 K CA -0.961 55.289 56.287 -0.061 0.000 0.894 206 K CB 1.464 33.938 32.500 -0.043 0.000 1.547 206 K HN -0.341 7.909 8.250 0.000 0.000 0.417 207 E N 0.517 120.706 120.200 -0.018 0.000 2.349 207 E HA 0.444 4.795 4.350 0.001 0.000 0.262 207 E C -0.761 175.857 176.600 0.030 0.000 1.088 207 E CA -0.102 56.305 56.400 0.013 0.000 0.899 207 E CB 1.268 30.989 29.700 0.035 0.000 1.044 207 E HN 0.681 9.041 8.360 0.000 0.000 0.420 208 A N 2.769 125.634 122.820 0.075 0.000 2.425 208 A HA 0.174 4.494 4.320 0.001 0.000 0.242 208 A C -0.206 177.429 177.584 0.085 0.000 1.077 208 A CA -0.156 51.940 52.037 0.099 0.000 0.781 208 A CB 0.126 19.215 19.000 0.149 0.000 1.020 208 A HN 0.668 8.818 8.150 0.000 0.000 0.494 209 E N 0.949 121.157 120.200 0.014 0.000 2.318 209 E HA 0.202 4.552 4.350 0.001 0.000 0.265 209 E C -0.509 175.911 176.600 -0.300 0.000 1.069 209 E CA -0.478 55.842 56.400 -0.133 0.000 0.893 209 E CB 0.790 30.430 29.700 -0.100 0.000 1.076 209 E HN 0.689 9.049 8.360 0.000 0.000 0.414 210 E N 0.033 119.806 120.200 -0.712 0.000 2.392 210 E HA 0.134 4.484 4.350 0.001 0.000 0.264 210 E C 0.613 176.983 176.600 -0.382 0.000 1.024 210 E CA 0.578 56.287 56.400 -1.153 0.000 0.903 210 E CB 0.605 29.549 29.700 -1.259 0.000 0.963 210 E HN 0.838 9.198 8.360 0.000 0.000 0.432 211 G N 2.549 111.299 108.800 -0.083 0.000 2.176 211 G HA2 -0.270 3.691 3.960 0.001 0.000 0.232 211 G HA3 -0.270 3.691 3.960 0.001 0.000 0.232 211 G C 0.407 175.365 174.900 0.096 0.000 0.986 211 G CA 0.353 45.479 45.100 0.044 0.000 0.643 211 G HN 0.654 8.944 8.290 0.000 0.000 0.522 212 T N -1.308 113.330 114.554 0.140 0.000 2.943 212 T HA 0.549 4.900 4.350 0.001 0.000 0.284 212 T C 1.315 176.102 174.700 0.145 0.000 1.015 212 T CA 0.490 62.662 62.100 0.120 0.000 1.042 212 T CB 1.768 70.701 68.868 0.108 0.000 1.055 212 T HN 0.144 8.384 8.240 0.000 0.000 0.500 213 D N 1.207 121.647 120.400 0.067 0.000 2.144 213 D HA -0.179 4.461 4.640 0.001 0.000 0.199 213 D C 1.912 178.223 176.300 0.018 0.000 0.984 213 D CA 0.968 54.975 54.000 0.012 0.000 0.834 213 D CB -0.346 40.434 40.800 -0.033 0.000 0.955 213 D HN 0.612 8.982 8.370 0.000 0.000 0.465 214 R N -0.812 119.720 120.500 0.052 0.000 2.081 214 R HA -0.091 4.250 4.340 0.001 0.000 0.235 214 R C 2.120 178.456 176.300 0.060 0.000 1.131 214 R CA 1.441 57.566 56.100 0.041 0.000 0.960 214 R CB -0.592 29.747 30.300 0.066 0.000 0.856 214 R HN 0.312 8.582 8.270 0.000 0.000 0.436 215 W N 0.724 122.004 121.300 -0.033 0.000 2.354 215 W HA -0.138 4.522 4.660 0.001 0.000 0.315 215 W C 2.041 178.532 176.519 -0.045 0.000 1.206 215 W CA 2.096 59.422 57.345 -0.032 0.000 1.290 215 W CB -0.736 28.721 29.460 -0.005 0.000 1.152 215 W HN 0.199 8.379 8.180 0.000 0.000 0.489 216 A N 0.453 123.277 122.820 0.007 0.000 1.869 216 A HA -0.308 4.012 4.320 0.001 0.000 0.218 216 A C 2.167 179.555 177.584 -0.327 0.000 1.203 216 A CA 3.559 55.513 52.037 -0.138 0.000 0.638 216 A CB -1.776 17.240 19.000 0.026 0.000 0.831 216 A HN 0.699 8.849 8.150 0.000 0.000 0.450 217 V N -2.425 117.348 119.914 -0.234 0.000 2.490 217 V HA -0.041 4.080 4.120 0.001 0.000 0.250 217 V C 2.494 178.392 176.094 -0.327 0.000 1.061 217 V CA 1.961 64.105 62.300 -0.260 0.000 1.064 217 V CB -1.535 30.180 31.823 -0.180 0.000 0.670 217 V HN 0.617 8.807 8.190 0.000 0.000 0.461 218 A N -0.116 122.499 122.820 -0.342 0.000 1.902 218 A HA -0.161 4.160 4.320 0.001 0.000 0.217 218 A C 2.205 179.492 177.584 -0.494 0.000 1.181 218 A CA 1.765 53.594 52.037 -0.347 0.000 0.623 218 A CB -0.555 18.273 19.000 -0.286 0.000 0.818 218 A HN 0.582 8.732 8.150 0.000 0.000 0.443 219 Q N -1.569 117.767 119.800 -0.773 0.000 2.297 219 Q HA 0.104 4.444 4.340 0.001 0.000 0.204 219 Q C 1.280 176.686 176.000 -0.990 0.000 0.962 219 Q CA 1.048 56.268 55.803 -0.973 0.000 0.879 219 Q CB -0.149 27.710 28.738 -1.466 0.000 0.947 219 Q HN 1.101 9.371 8.270 0.000 0.000 0.462 220 G N -0.154 108.165 108.800 -0.803 0.000 2.143 220 G HA2 -0.192 3.768 3.960 0.001 0.000 0.175 220 G HA3 -0.192 3.768 3.960 0.001 0.000 0.175 220 G C -0.242 174.343 174.900 -0.525 0.000 1.004 220 G CA -0.511 44.222 45.100 -0.611 0.000 0.671 220 G HN 0.248 8.538 8.290 0.000 0.000 0.512 221 F N 0.244 119.997 119.950 -0.329 0.000 2.422 221 F HA 0.613 5.140 4.527 0.001 0.000 0.333 221 F C 1.049 176.646 175.800 -0.339 0.000 1.095 221 F CA -1.566 56.252 58.000 -0.305 0.000 1.038 221 F CB 1.878 40.730 39.000 -0.246 0.000 1.156 221 F HN -0.083 8.217 8.300 0.000 0.000 0.483 222 V N 2.198 122.022 119.914 -0.150 0.000 2.740 222 V HA 0.039 4.159 4.120 0.001 0.000 0.303 222 V C 0.185 176.018 176.094 -0.435 0.000 1.054 222 V CA 0.199 62.344 62.300 -0.259 0.000 1.106 222 V CB 1.362 33.105 31.823 -0.133 0.000 0.957 222 V HN 0.774 8.964 8.190 0.000 0.000 0.486 223 S N 3.629 119.085 115.700 -0.407 0.000 2.501 223 S HA 0.841 5.311 4.470 0.001 0.000 0.301 223 S C -0.485 173.799 174.600 -0.527 0.000 1.096 223 S CA -0.064 57.871 58.200 -0.442 0.000 1.063 223 S CB 1.448 64.509 63.200 -0.232 0.000 1.042 223 S HN 1.198 9.508 8.310 0.000 0.000 0.494 224 A N 3.377 125.833 122.820 -0.606 0.000 2.381 224 A HA 0.707 5.028 4.320 0.001 0.000 0.299 224 A C -0.630 176.852 177.584 -0.170 0.000 1.049 224 A CA -0.617 51.106 52.037 -0.524 0.000 0.715 224 A CB 1.627 20.064 19.000 -0.938 0.000 1.222 224 A HN 0.683 8.833 8.150 0.000 0.000 0.428 225 T N 5.280 119.809 114.554 -0.042 0.000 2.840 225 T HA 0.633 4.984 4.350 0.001 0.000 0.287 225 T C -2.944 171.821 174.700 0.109 0.000 0.991 225 T CA -1.063 61.084 62.100 0.078 0.000 0.964 225 T CB 1.819 70.684 68.868 -0.006 0.000 0.954 225 T HN 0.528 8.768 8.240 0.000 0.000 0.438 226 P HA 0.373 4.793 4.420 0.000 0.000 0.280 226 P C -0.908 176.388 177.300 -0.007 0.000 1.244 226 P CA -0.461 62.697 63.100 0.096 0.000 0.784 226 P CB 0.951 32.693 31.700 0.069 0.000 0.913 227 L N 3.630 124.814 121.223 -0.065 0.000 2.334 227 L HA 0.579 4.919 4.340 0.001 0.000 0.272 227 L C 1.203 177.957 176.870 -0.193 0.000 1.020 227 L CA -1.067 53.688 54.840 -0.141 0.000 0.812 227 L CB 1.543 43.496 42.059 -0.176 0.000 1.264 227 L HN 0.371 8.601 8.230 0.000 0.000 0.439 228 R N 1.982 122.371 120.500 -0.185 0.000 2.540 228 R HA 0.522 4.862 4.340 0.001 0.000 0.287 228 R C -0.006 176.170 176.300 -0.206 0.000 0.980 228 R CA -0.850 55.145 56.100 -0.174 0.000 0.966 228 R CB 1.425 31.653 30.300 -0.120 0.000 1.106 228 R HN 0.583 8.853 8.270 0.000 0.000 0.480 229 L N -0.215 120.904 121.223 -0.173 0.000 2.168 229 L HA 0.054 4.394 4.340 0.001 0.000 0.203 229 L C 0.639 177.448 176.870 -0.100 0.000 1.078 229 L CA 0.516 55.272 54.840 -0.140 0.000 0.780 229 L CB -0.163 41.853 42.059 -0.071 0.000 0.939 229 L HN 0.740 8.970 8.230 0.000 0.000 0.451 230 D N 0.776 121.134 120.400 -0.069 0.000 2.371 230 D HA 0.065 4.705 4.640 0.001 0.000 0.256 230 D C 0.624 176.893 176.300 -0.051 0.000 1.193 230 D CA 0.364 54.339 54.000 -0.042 0.000 0.881 230 D CB 1.247 42.035 40.800 -0.019 0.000 1.143 230 D HN 0.052 8.422 8.370 0.000 0.000 0.473 231 L N 2.838 124.044 121.223 -0.029 0.000 2.607 231 L HA 0.087 4.428 4.340 0.001 0.000 0.228 231 L C 0.770 177.664 176.870 0.040 0.000 1.123 231 L CA 0.028 54.866 54.840 -0.003 0.000 0.890 231 L CB 0.026 42.111 42.059 0.044 0.000 1.103 231 L HN 0.260 8.491 8.230 0.000 0.000 0.468 232 T N -0.007 114.562 114.554 0.025 0.000 2.853 232 T HA -0.021 4.329 4.350 0.001 0.000 0.298 232 T C 0.046 174.763 174.700 0.029 0.000 0.978 232 T CA -0.066 62.053 62.100 0.031 0.000 1.152 232 T CB 0.991 69.872 68.868 0.021 0.000 0.914 232 T HN 0.029 8.269 8.240 0.000 0.000 0.539 233 D N 2.588 123.010 120.400 0.036 0.000 2.453 233 D HA 0.177 4.818 4.640 0.001 0.000 0.223 233 D C 0.956 177.269 176.300 0.023 0.000 1.183 233 D CA -0.418 53.601 54.000 0.032 0.000 0.933 233 D CB 0.553 41.377 40.800 0.040 0.000 1.038 233 D HN 0.413 8.783 8.370 0.000 0.000 0.513 234 E N 0.862 121.072 120.200 0.017 0.000 2.284 234 E HA -0.206 4.145 4.350 0.001 0.000 0.200 234 E C 1.650 178.258 176.600 0.013 0.000 1.008 234 E CA 1.242 57.650 56.400 0.013 0.000 0.829 234 E CB -0.015 29.690 29.700 0.009 0.000 0.744 234 E HN 0.448 8.808 8.360 0.000 0.000 0.491 235 T N 0.517 115.080 114.554 0.014 0.000 2.569 235 T HA -0.120 4.231 4.350 0.001 0.000 0.263 235 T C 1.411 176.119 174.700 0.013 0.000 1.074 235 T CA 1.084 63.192 62.100 0.013 0.000 1.176 235 T CB -0.072 68.805 68.868 0.015 0.000 0.863 235 T HN 0.037 8.277 8.240 0.000 0.000 0.410 236 R N 1.409 121.918 120.500 0.016 0.000 2.387 236 R HA 0.199 4.539 4.340 0.001 0.000 0.203 236 R C 0.336 176.644 176.300 0.014 0.000 1.121 236 R CA 0.153 56.262 56.100 0.015 0.000 1.129 236 R CB -1.182 29.128 30.300 0.017 0.000 0.905 236 R HN 0.311 8.581 8.270 0.000 0.000 0.477 237 L N 0.000 121.231 121.223 0.013 0.000 2.949 237 L HA 0.000 4.340 4.340 0.001 0.000 0.249 237 L CA 0.000 54.847 54.840 0.012 0.000 0.813 237 L CB 0.000 42.067 42.059 0.014 0.000 0.961 237 L HN 0.000 8.230 8.230 0.000 0.000 0.502