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 2wsi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQLSKAAEMC YEITNSYLHI DQKSQIIAST QEAIRLTRKY LLSEIFVRWS DATA SEQUENCE PLNGEISFSY NGGKDCQVLL LLYLSCLWEY FFIKAQNSXX XXXXXXFPMQ DATA SEQUENCE RLPTVFIDQE ETFPTLENFV LETSERYCLS LYESQRXXXX XVNMADAFRD DATA SEQUENCE FIKIYPETEA IVIGIRHTDP FGEALKPIQR TDSNWPDFMR LQPLLHWDLT DATA SEQUENCE NIWSFLLYSN EPICGLYGKG FTSIGGINNS LPNPHLRKDS NNPALHFEWE DATA SEQUENCE IIHAFGKDXX XXRSSAINTS PISVVDKERF SKYXXNYYPG WYLVDDTLER DATA SEQUENCE AGRI 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 4.446 4.480 -0.057 0.000 0.227 1 M C 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.064 0.000 0.988 1 M CB 0.000 32.560 32.600 -0.067 0.000 1.302 2 Q N -1.486 118.294 119.800 -0.034 0.000 2.428 2 Q HA -0.027 4.313 4.340 0.000 0.000 0.276 2 Q C 1.028 177.014 176.000 -0.022 0.000 1.059 2 Q CA -0.255 55.540 55.803 -0.014 0.000 0.923 2 Q CB 0.633 29.368 28.738 -0.005 0.000 1.283 2 Q HN 0.133 8.382 8.270 -0.036 0.000 0.447 3 L N 4.201 125.441 121.223 0.028 0.000 2.042 3 L HA -0.294 4.067 4.340 0.034 0.000 0.210 3 L C 1.554 178.349 176.870 -0.124 0.000 1.076 3 L CA 3.232 58.103 54.840 0.051 0.000 0.749 3 L CB -0.005 42.174 42.059 0.201 0.000 0.893 3 L HN 0.724 8.990 8.230 0.060 0.000 0.432 4 S N -2.445 113.088 115.700 -0.277 0.000 2.382 4 S HA -0.415 2.946 4.470 -1.849 0.000 0.228 4 S C 2.033 176.320 174.600 -0.522 0.000 1.027 4 S CA 3.390 61.058 58.200 -0.886 0.000 0.991 4 S CB -0.668 62.195 63.200 -0.562 0.000 0.823 4 S HN 0.357 8.624 8.310 -0.071 0.000 0.469 5 K N 1.696 121.922 120.400 -0.291 0.000 2.097 5 K HA -0.164 3.965 4.320 -0.318 0.000 0.205 5 K C 2.353 178.811 176.600 -0.236 0.000 1.050 5 K CA 1.956 58.090 56.287 -0.254 0.000 0.938 5 K CB -0.670 31.747 32.500 -0.140 0.000 0.718 5 K HN -0.772 7.355 8.250 -0.205 0.000 0.442 6 A N -0.804 121.925 122.820 -0.152 0.000 1.902 6 A HA -0.196 4.104 4.320 -0.033 0.000 0.217 6 A C 1.795 179.307 177.584 -0.120 0.000 1.181 6 A CA 2.893 54.891 52.037 -0.064 0.000 0.623 6 A CB -0.741 18.287 19.000 0.046 0.000 0.818 6 A HN -0.293 7.780 8.150 -0.129 0.000 0.443 7 A N -1.558 121.157 122.820 -0.175 0.000 1.877 7 A HA -0.429 3.892 4.320 0.001 0.000 0.216 7 A C 1.511 178.913 177.584 -0.303 0.000 1.186 7 A CA 3.148 55.127 52.037 -0.097 0.000 0.620 7 A CB -0.847 18.176 19.000 0.037 0.000 0.822 7 A HN 0.045 8.066 8.150 -0.214 0.000 0.443 8 E N -1.035 118.664 120.200 -0.834 0.000 2.077 8 E HA -0.349 2.766 4.350 -2.059 0.000 0.193 8 E C 2.022 178.295 176.600 -0.545 0.000 0.989 8 E CA 2.887 58.455 56.400 -1.386 0.000 0.800 8 E CB -0.142 28.544 29.700 -1.690 0.000 0.746 8 E HN -0.419 7.439 8.360 -0.837 0.000 0.452 9 M N 0.350 119.747 119.600 -0.340 0.000 2.065 9 M HA -0.368 4.027 4.480 -0.141 0.000 0.259 9 M C 2.001 178.182 176.300 -0.198 0.000 1.069 9 M CA 4.286 59.476 55.300 -0.184 0.000 1.110 9 M CB 0.048 32.585 32.600 -0.105 0.000 1.328 9 M HN -0.225 7.858 8.290 -0.346 0.000 0.405 10 C N -2.157 117.060 119.300 -0.138 0.000 2.422 10 C HA -0.424 3.954 4.460 -0.136 0.000 0.279 10 C C 1.488 176.466 174.990 -0.021 0.000 1.305 10 C CA 5.076 64.042 59.018 -0.086 0.000 1.757 10 C CB -0.974 26.745 27.740 -0.034 0.000 1.962 10 C HN -0.144 8.010 8.230 -0.127 0.000 0.499 11 Y N 1.840 122.079 120.300 -0.100 0.000 2.165 11 Y HA -0.339 4.272 4.550 0.102 0.000 0.286 11 Y C 1.723 177.617 175.900 -0.010 0.000 1.155 11 Y CA 3.161 61.262 58.100 0.001 0.000 1.164 11 Y CB -0.088 38.368 38.460 -0.006 0.000 0.978 11 Y HN 0.062 8.378 8.280 0.060 0.000 0.513 12 E N -1.088 119.050 120.200 -0.104 0.000 2.106 12 E HA -0.394 3.901 4.350 -0.091 0.000 0.192 12 E C 2.422 178.872 176.600 -0.250 0.000 0.984 12 E CA 3.213 59.548 56.400 -0.109 0.000 0.806 12 E CB -0.190 29.557 29.700 0.079 0.000 0.750 12 E HN -0.460 7.782 8.360 -0.058 0.083 0.458 13 I N 0.080 120.333 120.570 -0.528 0.000 2.179 13 I HA -0.536 3.055 4.170 -0.965 0.000 0.242 13 I C 1.831 177.950 176.117 0.004 0.000 1.088 13 I CA 4.569 65.508 61.300 -0.602 0.000 1.357 13 I CB -0.088 37.528 38.000 -0.638 0.000 1.051 13 I HN -0.178 7.738 8.210 -0.490 0.000 0.409 14 T N 1.201 115.797 114.554 0.070 0.000 2.812 14 T HA -0.383 4.292 4.350 0.541 0.000 0.264 14 T C 2.021 176.826 174.700 0.174 0.000 1.042 14 T CA 4.874 67.133 62.100 0.266 0.000 1.140 14 T CB -0.590 68.384 68.868 0.177 0.000 0.870 14 T HN -0.119 8.107 8.240 -0.023 0.000 0.445 15 N N 1.946 120.611 118.700 -0.059 0.000 2.069 15 N HA -0.336 4.429 4.740 0.041 0.000 0.191 15 N C 1.877 177.504 175.510 0.194 0.000 1.031 15 N CA 3.112 56.146 53.050 -0.026 0.000 0.852 15 N CB -0.177 38.115 38.487 -0.325 0.000 1.018 15 N HN -0.192 8.050 8.380 -0.231 0.000 0.423 16 S N -0.413 115.406 115.700 0.198 0.000 2.368 16 S HA -0.321 4.291 4.470 0.236 0.000 0.225 16 S C 2.386 177.180 174.600 0.324 0.000 1.030 16 S CA 3.057 61.454 58.200 0.329 0.000 0.999 16 S CB 0.037 63.575 63.200 0.563 0.000 0.844 16 S HN -0.185 8.212 8.310 0.146 0.000 0.459 17 Y N 3.151 123.577 120.300 0.210 0.000 2.224 17 Y HA -0.301 4.016 4.550 -0.388 0.000 0.289 17 Y C 1.815 177.726 175.900 0.018 0.000 1.146 17 Y CA 3.495 61.576 58.100 -0.032 0.000 1.182 17 Y CB 0.372 38.943 38.460 0.185 0.000 0.983 17 Y HN -0.379 8.201 8.280 0.501 0.000 0.524 18 L N -5.435 115.971 121.223 0.306 0.000 2.465 18 L HA -0.338 4.103 4.340 0.169 0.000 0.224 18 L C 0.228 177.108 176.870 0.017 0.000 1.145 18 L CA 1.504 56.444 54.840 0.167 0.000 0.834 18 L CB -0.402 41.741 42.059 0.141 0.000 0.944 18 L HN -0.367 7.985 8.230 0.344 0.085 0.451 19 H N -4.119 114.950 119.070 -0.001 0.000 2.551 19 H HA 0.020 4.565 4.556 -0.019 0.000 0.271 19 H C 0.067 175.349 175.328 -0.075 0.000 0.984 19 H CA -0.365 55.673 56.048 -0.016 0.000 1.164 19 H CB 0.708 30.492 29.762 0.036 0.000 1.437 19 H HN -0.870 7.423 8.280 0.296 0.165 0.550 20 I N 1.247 121.751 120.570 -0.109 0.000 2.668 20 I HA -0.256 3.831 4.170 -0.140 0.000 0.285 20 I C -0.469 175.490 176.117 -0.263 0.000 1.168 20 I CA 1.473 62.617 61.300 -0.260 0.000 1.424 20 I CB 0.103 37.733 38.000 -0.617 0.000 1.377 20 I HN -0.859 7.095 8.210 -0.166 0.156 0.560 21 D N 8.925 129.195 120.400 -0.217 0.000 2.551 21 D HA 0.143 4.665 4.640 -0.196 0.000 0.294 21 D C -1.194 174.950 176.300 -0.260 0.000 1.201 21 D CA -1.104 52.781 54.000 -0.192 0.000 0.941 21 D CB -0.496 40.246 40.800 -0.096 0.000 0.995 21 D HN 0.158 8.425 8.370 -0.172 0.000 0.502 22 Q N 0.377 119.946 119.800 -0.385 0.000 2.377 22 Q HA 0.163 4.281 4.340 -0.369 0.000 0.271 22 Q C -0.326 175.488 176.000 -0.309 0.000 1.077 22 Q CA -1.276 54.258 55.803 -0.449 0.000 0.820 22 Q CB 2.767 30.992 28.738 -0.856 0.000 1.347 22 Q HN -0.146 7.883 8.270 -0.403 0.000 0.444 23 K N 2.398 122.656 120.400 -0.236 0.000 2.382 23 K HA -0.109 4.122 4.320 -0.148 0.000 0.286 23 K C -0.355 176.136 176.600 -0.183 0.000 1.062 23 K CA 0.888 57.075 56.287 -0.167 0.000 1.000 23 K CB -0.182 32.250 32.500 -0.114 0.000 0.954 23 K HN 0.247 8.365 8.250 -0.221 0.000 0.470 24 S N 4.049 119.653 115.700 -0.160 0.000 2.581 24 S HA 0.033 4.436 4.470 -0.111 0.000 0.306 24 S C 0.031 174.568 174.600 -0.106 0.000 1.080 24 S CA -0.293 57.824 58.200 -0.138 0.000 0.925 24 S CB 0.741 63.826 63.200 -0.192 0.000 1.128 24 S HN 0.107 8.329 8.310 -0.146 0.000 0.451 25 Q N 6.744 126.497 119.800 -0.079 0.000 2.119 25 Q HA -0.223 4.074 4.340 -0.072 0.000 0.201 25 Q C 1.555 177.525 176.000 -0.051 0.000 0.972 25 Q CA 3.061 58.823 55.803 -0.067 0.000 0.847 25 Q CB 0.312 29.013 28.738 -0.062 0.000 0.903 25 Q HN 0.735 8.961 8.270 -0.074 0.000 0.433 26 I N -0.433 120.120 120.570 -0.029 0.000 2.202 26 I HA -0.424 3.763 4.170 0.029 0.000 0.242 26 I C 1.638 177.792 176.117 0.061 0.000 1.091 26 I CA 3.540 64.862 61.300 0.036 0.000 1.368 26 I CB -0.010 38.049 38.000 0.098 0.000 1.058 26 I HN -0.570 7.604 8.210 -0.038 0.013 0.410 27 I N -0.115 120.463 120.570 0.014 0.000 2.179 27 I HA -0.293 3.973 4.170 0.159 0.000 0.242 27 I C 2.342 178.456 176.117 -0.005 0.000 1.088 27 I CA 0.892 62.191 61.300 -0.002 0.000 1.357 27 I CB -1.523 36.325 38.000 -0.253 0.000 1.051 27 I HN -0.291 7.897 8.210 -0.036 0.000 0.409 28 A N -0.258 122.520 122.820 -0.069 0.000 1.898 28 A HA -0.193 4.264 4.320 -0.077 -0.183 0.216 28 A C 2.492 180.034 177.584 -0.071 0.000 1.181 28 A CA 2.724 54.715 52.037 -0.075 0.000 0.620 28 A CB -0.716 18.229 19.000 -0.092 0.000 0.819 28 A HN -0.450 7.648 8.150 -0.087 0.000 0.442 29 S N -1.796 113.859 115.700 -0.075 0.000 2.370 29 S HA -0.371 4.023 4.470 -0.126 0.000 0.226 29 S C 2.007 176.492 174.600 -0.192 0.000 1.033 29 S CA 3.265 61.394 58.200 -0.118 0.000 1.011 29 S CB -0.149 62.992 63.200 -0.099 0.000 0.852 29 S HN -0.079 8.193 8.310 -0.062 0.000 0.457 30 T N 4.302 118.775 114.554 -0.135 0.000 2.904 30 T HA -0.299 3.785 4.350 -0.566 -0.074 0.267 30 T C 1.880 176.446 174.700 -0.224 0.000 1.059 30 T CA 4.708 66.640 62.100 -0.280 0.000 1.137 30 T CB -0.324 68.507 68.868 -0.061 0.000 0.879 30 T HN -0.326 7.808 8.240 -0.035 0.085 0.467 31 Q N 0.970 120.782 119.800 0.020 0.000 2.084 31 Q HA -0.428 3.973 4.340 0.103 0.000 0.202 31 Q C 1.935 177.882 176.000 -0.088 0.000 0.978 31 Q CA 3.762 59.587 55.803 0.037 0.000 0.844 31 Q CB -0.347 28.422 28.738 0.052 0.000 0.898 31 Q HN -0.017 8.298 8.270 0.074 0.000 0.426 32 E N 0.007 120.126 120.200 -0.135 0.000 2.077 32 E HA -0.340 3.936 4.350 -0.123 0.000 0.193 32 E C 2.001 178.470 176.600 -0.219 0.000 0.989 32 E CA 2.828 59.134 56.400 -0.156 0.000 0.800 32 E CB -0.075 29.534 29.700 -0.151 0.000 0.746 32 E HN -0.561 7.721 8.360 -0.129 0.000 0.452 33 A N -0.687 121.904 122.820 -0.381 0.000 1.933 33 A HA -0.228 3.867 4.320 -0.374 0.000 0.218 33 A C 2.255 179.696 177.584 -0.237 0.000 1.175 33 A CA 2.988 54.691 52.037 -0.555 0.000 0.628 33 A CB -0.782 17.378 19.000 -1.400 0.000 0.814 33 A HN -0.381 7.511 8.150 -0.431 0.000 0.444 34 I N -1.552 118.894 120.570 -0.207 0.000 2.179 34 I HA -0.619 3.674 4.170 0.204 0.000 0.242 34 I C 1.945 178.062 176.117 -0.000 0.000 1.088 34 I CA 4.274 65.581 61.300 0.011 0.000 1.357 34 I CB -0.259 37.693 38.000 -0.080 0.000 1.051 34 I HN -0.266 7.747 8.210 -0.328 0.000 0.409 35 R N -1.318 119.151 120.500 -0.051 0.000 2.096 35 R HA -0.350 3.974 4.340 -0.026 0.000 0.235 35 R C 2.742 178.983 176.300 -0.098 0.000 1.127 35 R CA 3.575 59.642 56.100 -0.054 0.000 0.968 35 R CB -0.218 30.044 30.300 -0.063 0.000 0.861 35 R HN -0.568 7.656 8.270 -0.076 0.000 0.440 36 L N -0.815 120.325 121.223 -0.138 0.000 2.027 36 L HA -0.201 3.937 4.340 -0.337 0.000 0.206 36 L C 1.392 178.045 176.870 -0.362 0.000 1.074 36 L CA 3.208 57.876 54.840 -0.287 0.000 0.745 36 L CB -0.417 41.492 42.059 -0.250 0.000 0.898 36 L HN -0.373 7.784 8.230 -0.123 0.000 0.433 37 T N 2.022 116.554 114.554 -0.037 0.000 2.665 37 T HA -0.384 4.127 4.350 0.269 0.000 0.268 37 T C 2.182 176.911 174.700 0.049 0.000 1.035 37 T CA 5.242 67.422 62.100 0.134 0.000 1.151 37 T CB -0.348 68.677 68.868 0.262 0.000 0.862 37 T HN -0.376 7.909 8.240 0.075 0.000 0.438 38 R N -0.233 120.272 120.500 0.009 0.000 2.096 38 R HA -0.252 4.092 4.340 0.006 0.000 0.235 38 R C 2.301 178.583 176.300 -0.030 0.000 1.127 38 R CA 3.361 59.464 56.100 0.004 0.000 0.968 38 R CB -0.268 30.056 30.300 0.040 0.000 0.861 38 R HN -0.201 8.077 8.270 0.013 0.000 0.440 39 K N -0.396 119.955 120.400 -0.081 0.000 2.026 39 K HA -0.184 4.116 4.320 -0.034 0.000 0.208 39 K C 2.724 179.312 176.600 -0.020 0.000 1.048 39 K CA 2.352 58.590 56.287 -0.082 0.000 0.929 39 K CB -0.705 31.705 32.500 -0.149 0.000 0.713 39 K HN -0.404 7.696 8.250 -0.119 0.079 0.439 40 Y N -1.058 119.241 120.300 -0.001 0.000 2.114 40 Y HA -0.293 4.263 4.550 0.009 0.000 0.282 40 Y C 2.966 178.813 175.900 -0.088 0.000 1.165 40 Y CA 2.389 60.482 58.100 -0.012 0.000 1.148 40 Y CB -0.849 37.616 38.460 0.008 0.000 0.972 40 Y HN -0.365 7.785 8.280 -0.216 0.000 0.504 41 L N -2.115 119.096 121.223 -0.019 0.000 2.005 41 L HA -0.411 3.669 4.340 -0.435 0.000 0.207 41 L C 1.867 178.410 176.870 -0.545 0.000 1.072 41 L CA 3.392 57.971 54.840 -0.434 0.000 0.744 41 L CB -0.229 41.488 42.059 -0.571 0.000 0.895 41 L HN -0.530 7.710 8.230 0.017 0.000 0.433 42 L N -2.992 118.086 121.223 -0.241 0.000 2.109 42 L HA -0.278 4.067 4.340 0.008 0.000 0.207 42 L C 2.151 179.054 176.870 0.056 0.000 1.086 42 L CA 3.009 57.831 54.840 -0.031 0.000 0.760 42 L CB 0.039 42.139 42.059 0.068 0.000 0.910 42 L HN 0.109 8.247 8.230 -0.153 0.000 0.437 43 S N -2.655 113.069 115.700 0.039 0.000 2.470 43 S HA -0.065 4.446 4.470 0.067 0.000 0.222 43 S C 0.906 175.549 174.600 0.073 0.000 1.024 43 S CA 2.206 60.443 58.200 0.062 0.000 0.931 43 S CB 0.740 63.972 63.200 0.052 0.000 0.791 43 S HN -0.162 8.161 8.310 0.022 0.000 0.513 44 E N -0.397 119.856 120.200 0.088 0.000 2.421 44 E HA 0.078 4.474 4.350 0.077 0.000 0.209 44 E C 0.269 176.950 176.600 0.134 0.000 0.871 44 E CA 1.235 57.699 56.400 0.105 0.000 1.064 44 E CB 1.995 31.785 29.700 0.151 0.000 1.075 44 E HN -0.566 7.843 8.360 0.081 0.000 0.513 45 I N -1.517 119.142 120.570 0.148 0.000 2.900 45 I HA -0.017 4.446 4.170 0.488 0.000 0.251 45 I C 1.382 177.763 176.117 0.440 0.000 1.102 45 I CA 2.865 64.360 61.300 0.326 0.000 1.457 45 I CB 1.437 39.565 38.000 0.213 0.000 1.285 45 I HN -0.546 7.704 8.210 0.066 0.000 0.459 46 F N -1.188 118.855 119.950 0.154 0.000 2.451 46 F HA -0.033 4.708 4.527 0.052 -0.182 0.299 46 F C 2.034 177.915 175.800 0.135 0.000 1.101 46 F CA 0.522 58.567 58.000 0.075 0.000 1.436 46 F CB -0.970 38.004 39.000 -0.043 0.000 1.074 46 F HN 0.094 8.453 8.300 0.097 0.000 0.553 47 V N -2.883 117.191 119.914 0.267 0.000 2.667 47 V HA -0.271 3.959 4.120 0.184 0.000 0.252 47 V C 1.025 177.127 176.094 0.013 0.000 1.065 47 V CA 2.579 64.964 62.300 0.141 0.000 1.083 47 V CB -0.215 31.655 31.823 0.079 0.000 0.692 47 V HN -0.321 7.967 8.190 0.228 0.039 0.468 48 R N -1.492 118.955 120.500 -0.089 0.000 2.195 48 R HA 0.001 4.119 4.340 -0.370 0.000 0.197 48 R C -0.192 175.797 176.300 -0.518 0.000 0.990 48 R CA 1.115 56.938 56.100 -0.460 0.000 1.048 48 R CB 2.522 32.261 30.300 -0.935 0.000 0.997 48 R HN -0.697 7.428 8.270 -0.001 0.144 0.502 49 W N -1.865 119.510 121.300 0.125 0.000 2.936 49 W HA 0.431 5.298 4.660 0.079 -0.160 0.338 49 W C -1.621 174.931 176.519 0.056 0.000 1.121 49 W CA -1.496 55.907 57.345 0.097 0.000 1.209 49 W CB 3.692 33.218 29.460 0.110 0.000 1.420 49 W HN -0.295 8.049 8.180 0.273 0.000 0.516 50 S N 0.909 116.748 115.700 0.231 0.000 2.528 50 S HA 0.288 4.723 4.470 -0.059 0.000 0.277 50 S C -0.704 173.852 174.600 -0.074 0.000 1.297 50 S CA -3.106 55.111 58.200 0.028 0.000 1.052 50 S CB 1.221 64.454 63.200 0.056 0.000 0.917 50 S HN 0.055 8.797 8.310 0.253 -0.281 0.492 51 P HA 0.179 4.563 4.420 -0.060 0.000 0.249 51 P C -1.486 175.722 177.300 -0.153 0.000 1.229 51 P CA 0.711 63.607 63.100 -0.340 0.000 0.788 51 P CB 0.582 31.627 31.700 -1.091 0.000 1.072 52 L N -4.352 116.789 121.223 -0.137 0.000 2.547 52 L HA 0.198 4.517 4.340 -0.036 0.000 0.218 52 L C 0.550 177.413 176.870 -0.012 0.000 1.048 52 L CA 0.443 55.249 54.840 -0.058 0.000 0.859 52 L CB 0.995 43.011 42.059 -0.072 0.000 1.128 52 L HN -0.418 7.663 8.230 -0.148 0.060 0.483 53 N N -1.926 116.775 118.700 0.001 0.000 2.398 53 N HA -0.073 4.675 4.740 0.012 0.000 0.188 53 N C 0.821 176.346 175.510 0.025 0.000 1.122 53 N CA 0.003 53.064 53.050 0.018 0.000 0.866 53 N CB 0.520 39.024 38.487 0.029 0.000 0.970 53 N HN -0.593 7.788 8.380 0.001 0.000 0.462 54 G N -1.208 107.607 108.800 0.024 0.000 2.201 54 G HA2 -0.377 3.587 3.960 0.007 0.000 0.212 54 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.212 54 G C 0.424 175.340 174.900 0.026 0.000 0.994 54 G CA 0.051 45.159 45.100 0.013 0.000 0.644 54 G HN -0.216 8.038 8.290 0.025 0.051 0.508 55 E N 1.009 121.245 120.200 0.060 0.000 2.153 55 E HA -0.200 4.197 4.350 0.078 0.000 0.194 55 E C -0.060 176.551 176.600 0.019 0.000 0.988 55 E CA 2.602 59.053 56.400 0.085 0.000 0.811 55 E CB 0.726 30.543 29.700 0.196 0.000 0.746 55 E HN -0.501 8.163 8.360 0.068 -0.263 0.466 56 I N -3.391 117.199 120.570 0.033 0.000 2.406 56 I HA 0.414 4.753 4.170 -0.077 -0.216 0.290 56 I C -1.178 174.956 176.117 0.028 0.000 0.999 56 I CA -1.236 60.067 61.300 0.004 0.000 1.124 56 I CB 2.087 40.151 38.000 0.106 0.000 1.289 56 I HN -0.897 7.335 8.210 0.059 0.014 0.441 57 S N 4.510 120.207 115.700 -0.004 0.000 2.501 57 S HA 0.349 4.993 4.470 0.050 -0.144 0.301 57 S C -1.411 173.170 174.600 -0.032 0.000 1.096 57 S CA -2.233 55.981 58.200 0.023 0.000 1.063 57 S CB 2.461 65.709 63.200 0.079 0.000 1.042 57 S HN -0.117 8.165 8.310 -0.046 0.000 0.494 58 F N 6.757 126.617 119.950 -0.150 0.000 2.404 58 F HA 0.158 4.531 4.527 -0.257 0.000 0.358 58 F C -1.559 174.191 175.800 -0.083 0.000 1.120 58 F CA -1.096 56.775 58.000 -0.214 0.000 1.144 58 F CB 2.377 41.170 39.000 -0.344 0.000 1.133 58 F HN 0.217 8.606 8.300 0.147 0.000 0.495 59 S N 9.562 125.120 115.700 -0.236 0.000 2.448 59 S HA 0.165 4.913 4.470 0.154 -0.185 0.279 59 S C -1.231 173.497 174.600 0.213 0.000 1.195 59 S CA -1.346 56.879 58.200 0.042 0.000 1.051 59 S CB 0.110 63.342 63.200 0.054 0.000 0.948 59 S HN 0.335 8.344 8.310 -0.502 0.000 0.493 60 Y N 7.295 127.741 120.300 0.244 0.000 2.391 60 Y HA 0.193 4.920 4.550 0.296 0.000 0.341 60 Y C -2.524 173.497 175.900 0.201 0.000 0.965 60 Y CA -1.030 57.232 58.100 0.270 0.000 1.067 60 Y CB 4.151 42.764 38.460 0.256 0.000 1.199 60 Y HN -0.027 8.519 8.280 0.443 0.000 0.450 61 N N 5.371 123.866 118.700 -0.342 0.000 2.184 61 N HA 0.107 4.646 4.740 -0.334 0.000 0.234 61 N C 0.494 175.687 175.510 -0.528 0.000 1.282 61 N CA -1.598 51.284 53.050 -0.280 0.000 0.877 61 N CB 1.342 39.916 38.487 0.145 0.000 1.184 61 N HN -0.173 7.998 8.380 -0.348 0.000 0.510 62 G N -0.686 107.481 108.800 -1.056 0.000 2.184 62 G HA2 -0.356 3.512 3.960 -0.154 0.000 0.264 62 G HA3 -0.356 3.318 3.960 -0.478 0.000 0.264 62 G C -0.491 174.444 174.900 0.058 0.000 0.975 62 G CA 0.655 45.509 45.100 -0.411 0.000 0.642 62 G HN -0.318 6.844 8.290 -1.880 0.000 0.536 63 G N -0.987 107.818 108.800 0.008 0.000 2.634 63 G HA2 0.072 4.126 3.960 0.157 0.000 0.255 63 G HA3 0.072 4.180 3.960 0.248 0.000 0.255 63 G C 0.157 175.187 174.900 0.217 0.000 1.205 63 G CA -1.291 43.917 45.100 0.180 0.000 0.884 63 G HN -0.615 7.847 8.290 -0.080 -0.221 0.549 64 K N -0.827 119.693 120.400 0.200 0.000 2.097 64 K HA -0.291 4.043 4.320 0.024 0.000 0.206 64 K C 1.860 178.416 176.600 -0.074 0.000 1.049 64 K CA 3.297 59.544 56.287 -0.068 0.000 0.933 64 K CB -0.181 31.983 32.500 -0.561 0.000 0.717 64 K HN 0.301 8.753 8.250 0.337 0.000 0.442 65 D N 0.143 120.498 120.400 -0.076 0.000 2.097 65 D HA -0.162 4.366 4.640 -0.186 0.000 0.197 65 D C 1.908 178.180 176.300 -0.047 0.000 0.984 65 D CA 3.250 57.182 54.000 -0.114 0.000 0.826 65 D CB -0.652 40.087 40.800 -0.100 0.000 0.973 65 D HN 0.260 8.604 8.370 -0.043 0.000 0.460 66 C N -3.270 116.068 119.300 0.063 0.000 2.468 66 C HA -0.075 4.468 4.460 0.139 0.000 0.277 66 C C 1.696 176.897 174.990 0.353 0.000 1.400 66 C CA 1.398 60.541 59.018 0.208 0.000 1.770 66 C CB 0.011 27.913 27.740 0.270 0.000 1.905 66 C HN -0.168 8.102 8.230 0.067 0.000 0.519 67 Q N 2.665 122.650 119.800 0.308 0.000 2.046 67 Q HA -0.329 4.228 4.340 0.361 0.000 0.200 67 Q C 2.068 178.126 176.000 0.097 0.000 0.975 67 Q CA 3.453 59.434 55.803 0.295 0.000 0.836 67 Q CB 0.069 29.024 28.738 0.362 0.000 0.896 67 Q HN -0.336 8.085 8.270 0.252 0.000 0.428 68 V N 0.592 120.524 119.914 0.030 0.000 2.287 68 V HA -0.469 3.716 4.120 0.109 0.000 0.248 68 V C 2.002 178.010 176.094 -0.144 0.000 1.053 68 V CA 4.509 66.781 62.300 -0.045 0.000 1.027 68 V CB -0.359 31.321 31.823 -0.240 0.000 0.646 68 V HN -0.225 7.971 8.190 0.011 0.000 0.447 69 L N -0.789 120.352 121.223 -0.136 0.000 2.046 69 L HA -0.294 3.942 4.340 -0.172 0.000 0.208 69 L C 1.752 178.703 176.870 0.134 0.000 1.077 69 L CA 3.140 57.958 54.840 -0.036 0.000 0.747 69 L CB -0.576 41.504 42.059 0.034 0.000 0.896 69 L HN -0.553 7.609 8.230 -0.114 0.000 0.432 70 L N -1.078 120.187 121.223 0.069 0.000 2.046 70 L HA -0.355 3.614 4.340 -0.618 0.000 0.208 70 L C 1.728 178.429 176.870 -0.281 0.000 1.077 70 L CA 3.178 57.779 54.840 -0.399 0.000 0.747 70 L CB -0.537 41.066 42.059 -0.759 0.000 0.896 70 L HN -0.083 8.224 8.230 0.128 0.000 0.432 71 L N -2.498 118.604 121.223 -0.201 0.000 2.017 71 L HA -0.407 3.794 4.340 -0.232 0.000 0.208 71 L C 2.536 179.429 176.870 0.038 0.000 1.073 71 L CA 3.190 57.968 54.840 -0.104 0.000 0.745 71 L CB -0.587 41.511 42.059 0.066 0.000 0.894 71 L HN -0.335 7.802 8.230 -0.154 0.000 0.432 72 L N -1.962 119.286 121.223 0.042 0.000 2.083 72 L HA -0.367 4.009 4.340 0.060 0.000 0.209 72 L C 2.698 179.662 176.870 0.157 0.000 1.083 72 L CA 3.116 57.985 54.840 0.048 0.000 0.752 72 L CB -0.464 41.546 42.059 -0.081 0.000 0.899 72 L HN -0.309 7.920 8.230 -0.003 0.000 0.433 73 Y N -0.043 120.294 120.300 0.062 0.000 2.200 73 Y HA -0.456 4.230 4.550 0.226 0.000 0.290 73 Y C 1.904 177.918 175.900 0.189 0.000 1.137 73 Y CA 4.387 62.590 58.100 0.173 0.000 1.163 73 Y CB 0.244 38.824 38.460 0.200 0.000 0.988 73 Y HN 0.024 8.471 8.280 0.278 0.000 0.518 74 L N -2.406 118.945 121.223 0.212 0.000 2.056 74 L HA -0.527 3.921 4.340 0.180 0.000 0.207 74 L C 2.150 179.151 176.870 0.219 0.000 1.078 74 L CA 3.142 58.072 54.840 0.149 0.000 0.749 74 L CB -0.471 41.587 42.059 -0.001 0.000 0.901 74 L HN -0.019 8.301 8.230 0.150 0.000 0.433 75 S N 0.445 116.274 115.700 0.216 0.000 2.359 75 S HA -0.234 4.529 4.470 0.390 -0.059 0.224 75 S C 1.990 176.859 174.600 0.449 0.000 1.035 75 S CA 3.244 61.647 58.200 0.338 0.000 1.018 75 S CB -0.615 62.739 63.200 0.256 0.000 0.876 75 S HN -0.291 8.118 8.310 0.165 0.000 0.448 76 C N 0.276 119.776 119.300 0.332 0.000 2.432 76 C HA -0.251 4.438 4.460 0.381 0.000 0.280 76 C C 1.580 176.870 174.990 0.500 0.000 1.353 76 C CA 4.638 63.875 59.018 0.365 0.000 1.766 76 C CB -0.686 27.163 27.740 0.181 0.000 1.924 76 C HN -0.208 8.175 8.230 0.255 0.000 0.509 77 L N 1.028 122.485 121.223 0.390 0.000 2.046 77 L HA -0.297 4.161 4.340 0.197 0.000 0.208 77 L C 0.965 178.181 176.870 0.576 0.000 1.077 77 L CA 3.338 58.378 54.840 0.334 0.000 0.747 77 L CB -0.429 41.754 42.059 0.206 0.000 0.896 77 L HN -0.002 8.313 8.230 0.301 0.096 0.432 78 W N -1.597 119.912 121.300 0.348 0.000 2.333 78 W HA -0.558 4.330 4.660 0.380 0.000 0.316 78 W C 1.532 178.330 176.519 0.464 0.000 1.215 78 W CA 3.067 60.620 57.345 0.346 0.000 1.278 78 W CB 0.072 29.638 29.460 0.177 0.000 1.154 78 W HN -0.503 8.065 8.180 0.647 0.000 0.486 79 E N -1.607 118.865 120.200 0.453 0.000 2.118 79 E HA -0.509 3.968 4.350 0.211 0.000 0.195 79 E C 1.760 178.552 176.600 0.320 0.000 0.992 79 E CA 3.072 59.663 56.400 0.318 0.000 0.804 79 E CB -0.220 29.693 29.700 0.355 0.000 0.741 79 E HN -0.715 7.981 8.360 0.560 0.000 0.458 80 Y N 0.283 120.734 120.300 0.252 0.000 2.207 80 Y HA -0.449 4.211 4.550 0.183 0.000 0.287 80 Y C 1.221 177.149 175.900 0.046 0.000 1.156 80 Y CA 3.221 61.428 58.100 0.178 0.000 1.182 80 Y CB -0.033 38.532 38.460 0.175 0.000 0.979 80 Y HN -0.207 8.411 8.280 0.563 0.000 0.521 81 F N -0.348 119.505 119.950 -0.163 0.000 2.134 81 F HA -0.447 3.731 4.527 -0.581 0.000 0.299 81 F C 1.048 176.479 175.800 -0.615 0.000 1.097 81 F CA 3.907 61.603 58.000 -0.507 0.000 1.264 81 F CB -0.092 38.600 39.000 -0.513 0.000 1.001 81 F HN -0.476 8.025 8.300 0.353 0.011 0.479 82 F N -2.083 117.655 119.950 -0.353 0.000 2.234 82 F HA -0.315 3.862 4.527 -0.584 0.000 0.296 82 F C 2.042 177.637 175.800 -0.342 0.000 1.089 82 F CA 4.195 61.943 58.000 -0.419 0.000 1.343 82 F CB -0.152 38.670 39.000 -0.296 0.000 1.040 82 F HN -0.882 7.362 8.300 -0.093 0.000 0.498 83 I N -0.387 120.128 120.570 -0.093 0.000 2.163 83 I HA -0.675 3.458 4.170 -0.062 0.000 0.243 83 I C 1.612 177.586 176.117 -0.238 0.000 1.085 83 I CA 4.275 65.510 61.300 -0.109 0.000 1.347 83 I CB -0.301 37.685 38.000 -0.022 0.000 1.044 83 I HN -0.156 8.036 8.210 -0.030 0.000 0.408 84 K N -0.765 119.377 120.400 -0.431 0.000 2.103 84 K HA -0.277 3.844 4.320 -0.332 0.000 0.204 84 K C 2.053 178.409 176.600 -0.407 0.000 1.052 84 K CA 3.062 59.077 56.287 -0.453 0.000 0.945 84 K CB -0.332 31.767 32.500 -0.669 0.000 0.722 84 K HN -0.235 7.690 8.250 -0.541 0.000 0.443 85 A N -0.341 122.156 122.820 -0.538 0.000 1.908 85 A HA -0.278 3.789 4.320 -0.421 0.000 0.218 85 A C 2.565 179.993 177.584 -0.261 0.000 1.181 85 A CA 2.746 54.507 52.037 -0.459 0.000 0.627 85 A CB -0.818 17.801 19.000 -0.634 0.000 0.818 85 A HN -0.345 7.392 8.150 -0.690 0.000 0.445 86 Q N -1.731 117.944 119.800 -0.209 0.000 2.226 86 Q HA -0.264 4.014 4.340 -0.103 0.000 0.204 86 Q C 1.530 177.465 176.000 -0.107 0.000 0.975 86 Q CA 2.482 58.213 55.803 -0.121 0.000 0.866 86 Q CB 0.133 28.823 28.738 -0.080 0.000 0.915 86 Q HN -0.012 8.121 8.270 -0.228 0.000 0.440 87 N N -2.080 116.542 118.700 -0.129 0.000 2.236 87 N HA 0.122 4.815 4.740 -0.078 0.000 0.196 87 N C -0.542 174.907 175.510 -0.102 0.000 1.114 87 N CA 0.216 53.206 53.050 -0.100 0.000 0.859 87 N CB 1.125 39.558 38.487 -0.091 0.000 0.982 87 N HN -0.345 7.801 8.380 -0.165 0.135 0.493 98 P HA 0.034 4.395 4.420 -0.098 0.000 0.271 98 P C -1.699 175.609 177.300 0.014 0.000 1.216 98 P CA -0.585 62.408 63.100 -0.179 0.000 0.776 98 P CB 0.663 32.217 31.700 -0.245 0.000 0.881 99 M N 4.404 124.027 119.600 0.037 0.000 2.261 99 M HA 0.139 4.686 4.480 0.112 0.000 0.349 99 M C -0.974 175.355 176.300 0.049 0.000 1.305 99 M CA -0.084 55.257 55.300 0.069 0.000 1.240 99 M CB -0.650 31.981 32.600 0.051 0.000 1.394 99 M HN 0.167 8.467 8.290 0.016 0.000 0.438 100 Q N 4.729 124.570 119.800 0.068 0.000 2.782 100 Q HA 0.282 4.646 4.340 0.041 0.000 0.308 100 Q C -2.197 173.842 176.000 0.065 0.000 0.883 100 Q CA -1.047 54.786 55.803 0.050 0.000 0.755 100 Q CB 2.763 31.517 28.738 0.027 0.000 1.454 100 Q HN 0.007 8.338 8.270 0.102 0.000 0.452 101 R N -1.796 118.733 120.500 0.049 0.000 2.787 101 R HA 0.519 5.012 4.340 0.052 -0.122 0.271 101 R C -0.516 175.810 176.300 0.044 0.000 0.993 101 R CA -1.623 54.504 56.100 0.045 0.000 0.993 101 R CB 1.840 32.160 30.300 0.032 0.000 1.155 101 R HN 0.055 8.350 8.270 0.040 0.000 0.486 102 L N 2.889 124.134 121.223 0.038 0.000 2.281 102 L HA 0.417 4.791 4.340 0.057 0.000 0.285 102 L C -2.193 174.692 176.870 0.025 0.000 1.074 102 L CA -3.103 51.761 54.840 0.039 0.000 0.817 102 L CB 1.318 43.388 42.059 0.018 0.000 1.168 102 L HN 0.263 8.510 8.230 0.029 0.000 0.434 103 P HA 0.249 4.678 4.420 0.016 0.000 0.271 103 P C -1.080 176.249 177.300 0.049 0.000 1.226 103 P CA 0.105 63.220 63.100 0.025 0.000 0.765 103 P CB 0.515 32.219 31.700 0.006 0.000 0.835 104 T N 5.875 120.463 114.554 0.057 0.000 2.916 104 T HA 0.621 5.220 4.350 0.128 -0.172 0.305 104 T C -2.051 172.701 174.700 0.085 0.000 1.119 104 T CA -0.328 61.830 62.100 0.098 0.000 1.008 104 T CB 4.239 73.158 68.868 0.084 0.000 1.129 104 T HN 0.183 8.457 8.240 0.056 0.000 0.480 105 V N 3.987 123.935 119.914 0.057 0.000 2.588 105 V HA 0.814 5.138 4.120 0.059 -0.168 0.304 105 V C -3.281 172.910 176.094 0.162 0.000 1.042 105 V CA -2.230 60.040 62.300 -0.050 0.000 0.877 105 V CB 3.385 34.806 31.823 -0.669 0.000 0.996 105 V HN 0.656 8.911 8.190 0.110 0.000 0.425 106 F N 10.041 129.994 119.950 0.005 0.000 2.507 106 F HA 0.542 5.205 4.527 0.037 -0.113 0.328 106 F C -2.405 173.361 175.800 -0.057 0.000 1.136 106 F CA -2.722 55.283 58.000 0.009 0.000 0.930 106 F CB 3.530 42.552 39.000 0.038 0.000 1.166 106 F HN 0.619 9.063 8.300 0.239 0.000 0.436 107 I N 7.985 128.300 120.570 -0.424 0.000 2.291 107 I HA 0.094 3.969 4.170 -0.492 0.000 0.292 107 I C -0.865 174.667 176.117 -0.976 0.000 1.064 107 I CA -2.104 58.867 61.300 -0.549 0.000 1.269 107 I CB -1.006 36.841 38.000 -0.254 0.000 1.418 107 I HN 0.133 8.264 8.210 -0.132 0.000 0.485 108 D N 8.382 128.211 120.400 -0.950 0.000 2.210 108 D HA 0.147 4.231 4.640 -0.926 0.000 0.249 108 D C -1.023 175.071 176.300 -0.342 0.000 1.078 108 D CA -1.049 52.497 54.000 -0.757 0.000 0.875 108 D CB 2.191 42.690 40.800 -0.502 0.000 1.175 108 D HN -0.070 7.855 8.370 -0.743 0.000 0.440 109 Q N 4.025 123.698 119.800 -0.212 0.000 2.496 109 Q HA 0.386 4.650 4.340 -0.127 0.000 0.286 109 Q C 0.790 176.737 176.000 -0.088 0.000 1.103 109 Q CA -1.416 54.312 55.803 -0.125 0.000 0.813 109 Q CB 4.025 32.708 28.738 -0.091 0.000 1.444 109 Q HN 0.025 8.185 8.270 -0.184 0.000 0.443 110 E N 0.702 120.858 120.200 -0.074 0.000 2.153 110 E HA -0.276 4.037 4.350 -0.062 0.000 0.194 110 E C 0.523 177.076 176.600 -0.078 0.000 0.988 110 E CA 2.493 58.853 56.400 -0.066 0.000 0.811 110 E CB 0.013 29.679 29.700 -0.056 0.000 0.746 110 E HN 0.620 8.938 8.360 -0.070 0.000 0.466 111 E N -3.008 117.139 120.200 -0.088 0.000 2.445 111 E HA 0.159 4.418 4.350 -0.150 0.000 0.189 111 E C -0.621 175.865 176.600 -0.190 0.000 1.069 111 E CA -1.036 55.282 56.400 -0.136 0.000 0.871 111 E CB -0.543 29.089 29.700 -0.114 0.000 0.991 111 E HN 0.010 8.309 8.360 -0.076 0.015 0.481 112 T N 2.976 117.468 114.554 -0.103 0.000 2.870 112 T HA -0.122 4.222 4.350 -0.011 0.000 0.300 112 T C -0.340 174.336 174.700 -0.040 0.000 0.989 112 T CA 1.904 63.990 62.100 -0.024 0.000 1.139 112 T CB 0.074 68.989 68.868 0.078 0.000 0.920 112 T HN -0.713 7.315 8.240 -0.076 0.166 0.537 113 F N 6.868 126.840 119.950 0.036 0.000 2.578 113 F HA -0.039 4.484 4.527 -0.007 0.000 0.376 113 F C -0.310 175.494 175.800 0.007 0.000 1.085 113 F CA 0.050 58.051 58.000 0.001 0.000 1.260 113 F CB -0.521 38.458 39.000 -0.036 0.000 1.095 113 F HN 0.401 8.802 8.300 0.169 0.000 0.573 114 P HA -0.134 4.544 4.420 0.098 -0.200 0.218 114 P C 1.507 178.870 177.300 0.105 0.000 1.148 114 P CA 2.164 65.328 63.100 0.106 0.000 0.822 114 P CB 0.315 32.046 31.700 0.053 0.000 0.784 115 T N 0.418 115.033 114.554 0.102 0.000 2.759 115 T HA -0.303 4.076 4.350 0.050 0.000 0.269 115 T C 1.805 176.541 174.700 0.061 0.000 1.042 115 T CA 5.286 67.414 62.100 0.048 0.000 1.140 115 T CB -0.219 68.632 68.868 -0.028 0.000 0.864 115 T HN -0.079 8.515 8.240 0.129 -0.276 0.455 116 L N 1.542 122.812 121.223 0.080 0.000 2.095 116 L HA -0.110 4.260 4.340 0.050 0.000 0.204 116 L C 1.082 178.012 176.870 0.099 0.000 1.080 116 L CA 2.842 57.729 54.840 0.078 0.000 0.759 116 L CB -0.223 41.895 42.059 0.099 0.000 0.914 116 L HN -0.639 7.564 8.230 0.131 0.105 0.439 117 E N -0.292 119.988 120.200 0.135 0.000 2.070 117 E HA -0.531 3.889 4.350 0.116 0.000 0.197 117 E C 2.487 179.127 176.600 0.067 0.000 1.004 117 E CA 3.726 60.202 56.400 0.126 0.000 0.805 117 E CB -0.446 29.356 29.700 0.171 0.000 0.744 117 E HN -0.249 8.211 8.360 0.167 0.000 0.451 118 N N -1.060 117.692 118.700 0.086 0.000 2.120 118 N HA -0.251 4.517 4.740 0.047 0.000 0.188 118 N C 1.968 177.527 175.510 0.082 0.000 1.024 118 N CA 2.864 55.957 53.050 0.071 0.000 0.852 118 N CB -0.289 38.243 38.487 0.075 0.000 1.003 118 N HN -0.325 8.113 8.380 0.096 0.000 0.424 119 F N 1.965 121.895 119.950 -0.034 0.000 2.134 119 F HA -0.256 4.264 4.527 -0.012 0.000 0.299 119 F C 1.676 177.456 175.800 -0.033 0.000 1.097 119 F CA 3.304 61.286 58.000 -0.028 0.000 1.264 119 F CB 0.245 39.227 39.000 -0.031 0.000 1.001 119 F HN -0.539 7.914 8.300 0.255 0.000 0.479 120 V N 0.613 120.465 119.914 -0.102 0.000 2.295 120 V HA -0.456 3.569 4.120 -0.158 0.000 0.246 120 V C 2.250 178.263 176.094 -0.136 0.000 1.049 120 V CA 4.248 66.418 62.300 -0.218 0.000 1.024 120 V CB -0.622 30.857 31.823 -0.574 0.000 0.648 120 V HN 0.004 8.174 8.190 -0.034 0.000 0.447 121 L N -1.092 120.070 121.223 -0.100 0.000 2.017 121 L HA -0.465 3.848 4.340 -0.045 0.000 0.208 121 L C 2.430 179.233 176.870 -0.112 0.000 1.073 121 L CA 3.475 58.276 54.840 -0.065 0.000 0.745 121 L CB -0.764 41.282 42.059 -0.023 0.000 0.894 121 L HN -0.474 7.708 8.230 -0.080 0.000 0.432 122 E N -2.298 117.813 120.200 -0.149 0.000 2.077 122 E HA -0.289 3.974 4.350 -0.145 0.000 0.193 122 E C 2.762 179.177 176.600 -0.309 0.000 0.989 122 E CA 3.117 59.403 56.400 -0.190 0.000 0.800 122 E CB -0.215 29.391 29.700 -0.157 0.000 0.746 122 E HN -0.233 8.048 8.360 -0.132 0.000 0.452 123 T N -2.267 112.029 114.554 -0.431 0.000 3.023 123 T HA -0.112 3.844 4.350 -0.656 0.000 0.266 123 T C 2.240 176.731 174.700 -0.349 0.000 1.093 123 T CA 3.574 65.359 62.100 -0.526 0.000 1.129 123 T CB -0.556 67.983 68.868 -0.548 0.000 0.899 123 T HN -0.024 7.937 8.240 -0.464 0.000 0.491 124 S N 2.638 118.226 115.700 -0.186 0.000 2.382 124 S HA -0.282 4.117 4.470 -0.118 0.000 0.228 124 S C 2.123 176.642 174.600 -0.135 0.000 1.027 124 S CA 4.208 62.336 58.200 -0.119 0.000 0.991 124 S CB -0.752 62.420 63.200 -0.048 0.000 0.823 124 S HN 0.036 8.251 8.310 -0.157 0.000 0.469 125 E N 0.239 120.341 120.200 -0.162 0.000 2.112 125 E HA -0.213 4.075 4.350 -0.102 0.000 0.190 125 E C 2.450 178.930 176.600 -0.200 0.000 0.979 125 E CA 2.390 58.705 56.400 -0.142 0.000 0.814 125 E CB -0.311 29.319 29.700 -0.117 0.000 0.762 125 E HN -0.725 7.433 8.360 -0.174 0.097 0.460 126 R N 0.102 120.396 120.500 -0.343 0.000 2.081 126 R HA -0.251 3.898 4.340 -0.319 0.000 0.235 126 R C 1.661 177.718 176.300 -0.406 0.000 1.131 126 R CA 2.808 58.630 56.100 -0.463 0.000 0.960 126 R CB 0.329 30.157 30.300 -0.786 0.000 0.856 126 R HN -0.411 7.628 8.270 -0.385 0.000 0.436 127 Y N -6.311 113.891 120.300 -0.163 0.000 2.468 127 Y HA 0.051 4.513 4.550 -0.148 0.000 0.268 127 Y C -0.547 175.269 175.900 -0.139 0.000 1.177 127 Y CA -1.233 56.764 58.100 -0.173 0.000 1.265 127 Y CB 0.313 38.617 38.460 -0.259 0.000 1.103 127 Y HN -0.362 7.673 8.280 -0.407 0.000 0.522 128 C N 0.050 119.340 119.300 -0.016 0.000 4.209 128 C HA -0.392 4.054 4.460 -0.023 0.000 0.305 128 C C -1.488 173.500 174.990 -0.003 0.000 1.339 128 C CA 0.922 59.935 59.018 -0.008 0.000 2.062 128 C CB -2.141 25.608 27.740 0.014 0.000 1.307 128 C HN -0.322 7.812 8.230 -0.069 0.054 0.706 129 L N -0.499 120.707 121.223 -0.029 0.000 2.312 129 L HA 0.175 4.611 4.340 -0.036 -0.118 0.281 129 L C -0.124 176.746 176.870 -0.000 0.000 1.070 129 L CA -1.005 53.814 54.840 -0.036 0.000 0.805 129 L CB 0.737 42.746 42.059 -0.084 0.000 1.174 129 L HN -0.219 7.985 8.230 -0.044 0.000 0.434 130 S N 2.829 118.540 115.700 0.018 0.000 2.409 130 S HA 0.072 4.567 4.470 0.042 0.000 0.308 130 S C -1.474 173.167 174.600 0.069 0.000 1.080 130 S CA -1.057 57.168 58.200 0.042 0.000 1.081 130 S CB 0.240 63.464 63.200 0.040 0.000 1.009 130 S HN 0.284 8.482 8.310 0.015 0.121 0.502 131 L N 8.822 130.096 121.223 0.085 0.000 2.260 131 L HA 0.139 4.688 4.340 0.138 -0.126 0.289 131 L C -1.086 175.890 176.870 0.177 0.000 1.057 131 L CA -0.571 54.345 54.840 0.127 0.000 0.811 131 L CB 0.986 43.112 42.059 0.112 0.000 1.184 131 L HN 0.272 8.545 8.230 0.071 0.000 0.429 132 Y N 9.781 130.129 120.300 0.080 0.000 2.393 132 Y HA -0.033 4.605 4.550 0.147 0.000 0.338 132 Y C -2.166 173.785 175.900 0.085 0.000 1.029 132 Y CA -0.449 57.722 58.100 0.119 0.000 1.239 132 Y CB 1.462 40.039 38.460 0.196 0.000 1.170 132 Y HN 0.588 9.046 8.280 0.297 0.000 0.515 133 E N 9.745 129.717 120.200 -0.379 0.000 2.185 133 E HA 0.595 5.035 4.350 -0.234 -0.230 0.261 133 E C -0.765 175.450 176.600 -0.641 0.000 0.879 133 E CA -2.606 53.587 56.400 -0.346 0.000 0.756 133 E CB 2.449 32.121 29.700 -0.046 0.000 1.152 133 E HN 0.182 8.316 8.360 -0.377 0.000 0.416 134 S N 7.342 122.675 115.700 -0.612 0.000 2.572 134 S HA -0.105 4.088 4.470 -0.463 0.000 0.267 134 S C -0.011 174.416 174.600 -0.288 0.000 1.361 134 S CA 0.695 58.645 58.200 -0.416 0.000 1.009 134 S CB 0.904 63.959 63.200 -0.241 0.000 0.888 134 S HN -0.246 7.756 8.310 -0.512 0.000 0.553 135 Q N 1.970 121.656 119.800 -0.189 0.000 2.274 135 Q HA 0.097 4.357 4.340 -0.134 0.000 0.256 135 Q C 0.726 176.655 176.000 -0.119 0.000 0.927 135 Q CA -0.281 55.443 55.803 -0.133 0.000 0.939 135 Q CB 0.478 29.163 28.738 -0.089 0.000 1.201 135 Q HN 0.078 8.254 8.270 -0.157 0.000 0.426 143 N N 1.378 120.059 118.700 -0.031 0.000 2.438 143 N HA 0.202 4.937 4.740 -0.009 0.000 0.282 143 N C 0.536 176.020 175.510 -0.044 0.000 1.037 143 N CA -0.363 52.666 53.050 -0.035 0.000 0.942 143 N CB 1.522 39.969 38.487 -0.067 0.000 1.136 143 N HN -0.065 8.290 8.380 -0.041 0.000 0.481 144 M N 3.268 122.874 119.600 0.009 0.000 2.175 144 M HA -0.265 4.300 4.480 0.142 0.000 0.264 144 M C 1.435 177.645 176.300 -0.150 0.000 1.063 144 M CA 3.341 58.706 55.300 0.109 0.000 1.119 144 M CB -0.396 32.407 32.600 0.337 0.000 1.377 144 M HN 0.669 8.985 8.290 0.044 0.000 0.415 145 A N -1.092 121.297 122.820 -0.718 0.000 1.917 145 A HA -0.337 2.535 4.320 -2.413 0.000 0.219 145 A C 2.054 179.342 177.584 -0.494 0.000 1.182 145 A CA 3.283 54.510 52.037 -1.350 0.000 0.633 145 A CB -1.148 17.056 19.000 -1.327 0.000 0.819 145 A HN 0.422 8.236 8.150 -0.560 0.000 0.448 146 D N -1.574 118.671 120.400 -0.259 0.000 2.162 146 D HA -0.238 4.336 4.640 -0.110 0.000 0.203 146 D C 1.867 178.144 176.300 -0.038 0.000 0.967 146 D CA 2.647 56.578 54.000 -0.116 0.000 0.840 146 D CB -0.209 40.538 40.800 -0.089 0.000 0.972 146 D HN -0.670 7.545 8.370 -0.244 0.009 0.482 147 A N 0.525 123.326 122.820 -0.033 0.000 1.917 147 A HA -0.289 4.013 4.320 -0.030 0.000 0.219 147 A C 1.952 179.510 177.584 -0.043 0.000 1.182 147 A CA 2.927 54.940 52.037 -0.041 0.000 0.633 147 A CB -0.520 18.429 19.000 -0.085 0.000 0.819 147 A HN -0.392 7.730 8.150 -0.046 0.000 0.448 148 F N -2.841 117.148 119.950 0.065 0.000 2.367 148 F HA -0.194 4.473 4.527 0.234 0.000 0.298 148 F C 1.630 177.559 175.800 0.215 0.000 1.094 148 F CA 3.692 61.814 58.000 0.204 0.000 1.409 148 F CB -0.032 39.194 39.000 0.376 0.000 1.064 148 F HN -0.427 8.043 8.300 0.284 0.000 0.528 149 R N 0.485 121.127 120.500 0.237 0.000 2.081 149 R HA -0.420 4.052 4.340 0.219 0.000 0.235 149 R C 1.948 178.315 176.300 0.112 0.000 1.131 149 R CA 3.882 60.079 56.100 0.161 0.000 0.960 149 R CB -0.328 30.007 30.300 0.058 0.000 0.856 149 R HN -0.460 7.807 8.270 0.149 0.092 0.436 150 D N -1.013 119.439 120.400 0.086 0.000 2.117 150 D HA -0.256 4.404 4.640 0.033 0.000 0.197 150 D C 2.153 178.488 176.300 0.057 0.000 0.987 150 D CA 3.305 57.342 54.000 0.062 0.000 0.829 150 D CB -0.528 40.315 40.800 0.073 0.000 0.961 150 D HN -0.387 8.030 8.370 0.079 0.000 0.460 151 F N 1.536 121.435 119.950 -0.086 0.000 2.102 151 F HA -0.339 3.966 4.527 -0.370 0.000 0.298 151 F C 1.415 177.158 175.800 -0.094 0.000 1.105 151 F CA 3.122 60.978 58.000 -0.240 0.000 1.239 151 F CB 0.285 39.046 39.000 -0.399 0.000 0.991 151 F HN -0.709 7.632 8.300 0.200 0.079 0.474 152 I N -1.631 118.891 120.570 -0.079 0.000 2.493 152 I HA -0.428 3.585 4.170 -0.262 0.000 0.254 152 I C 1.935 177.973 176.117 -0.132 0.000 1.160 152 I CA 1.481 62.713 61.300 -0.114 0.000 1.445 152 I CB -1.387 36.695 38.000 0.135 0.000 1.086 152 I HN -0.075 8.224 8.210 0.148 0.000 0.433 153 K N 0.268 120.610 120.400 -0.097 0.000 2.097 153 K HA -0.219 4.056 4.320 -0.075 0.000 0.205 153 K C 2.106 178.587 176.600 -0.197 0.000 1.050 153 K CA 3.088 59.314 56.287 -0.102 0.000 0.938 153 K CB -0.037 32.429 32.500 -0.055 0.000 0.718 153 K HN -0.721 7.386 8.250 -0.055 0.111 0.442 154 I N -3.076 117.309 120.570 -0.310 0.000 2.353 154 I HA -0.278 3.649 4.170 -0.406 0.000 0.248 154 I C 0.482 176.126 176.117 -0.787 0.000 1.119 154 I CA 2.778 63.761 61.300 -0.528 0.000 1.417 154 I CB 1.114 38.762 38.000 -0.587 0.000 1.078 154 I HN -0.752 7.285 8.210 -0.289 0.000 0.421 155 Y N -2.683 117.342 120.300 -0.459 0.000 2.747 155 Y HA 0.454 4.923 4.550 -0.301 -0.099 0.362 155 Y C -1.960 173.744 175.900 -0.327 0.000 1.026 155 Y CA -2.942 54.890 58.100 -0.447 0.000 1.135 155 Y CB -0.334 37.672 38.460 -0.757 0.000 1.175 155 Y HN -0.468 7.496 8.280 -0.526 0.000 0.643 156 P HA -0.047 4.465 4.420 -0.047 -0.120 0.226 156 P C -0.015 177.283 177.300 -0.003 0.000 1.153 156 P CA 1.004 64.076 63.100 -0.047 0.000 0.777 156 P CB 0.191 31.867 31.700 -0.039 0.000 0.794 157 E N -3.874 116.331 120.200 0.008 0.000 2.409 157 E HA -0.203 4.173 4.350 0.043 0.000 0.198 157 E C -0.280 176.339 176.600 0.032 0.000 1.024 157 E CA 0.732 57.152 56.400 0.034 0.000 0.861 157 E CB -1.214 28.513 29.700 0.045 0.000 0.788 157 E HN 0.326 8.660 8.360 0.008 0.032 0.521 158 T N 3.948 118.500 114.554 -0.004 0.000 2.784 158 T HA -0.191 4.296 4.350 -0.013 -0.144 0.291 158 T C -0.456 174.255 174.700 0.019 0.000 0.942 158 T CA 2.250 64.340 62.100 -0.016 0.000 1.161 158 T CB -0.144 68.687 68.868 -0.061 0.000 0.885 158 T HN -0.565 7.602 8.240 -0.029 0.056 0.534 159 E N 5.744 125.942 120.200 -0.002 0.000 2.389 159 E HA 0.051 4.450 4.350 0.082 0.000 0.199 159 E C -1.091 175.414 176.600 -0.158 0.000 0.978 159 E CA 0.800 57.201 56.400 0.003 0.000 0.912 159 E CB 1.587 31.354 29.700 0.112 0.000 0.907 159 E HN 0.373 8.610 8.360 -0.022 0.110 0.494 160 A N -2.969 119.684 122.820 -0.277 0.000 2.604 160 A HA 0.763 5.121 4.320 -0.211 -0.164 0.295 160 A C -2.742 174.675 177.584 -0.278 0.000 1.067 160 A CA -0.710 51.099 52.037 -0.381 0.000 0.683 160 A CB 3.521 21.963 19.000 -0.931 0.000 1.281 160 A HN -0.469 7.548 8.150 -0.220 0.000 0.407 161 I N -0.170 120.251 120.570 -0.249 0.000 2.533 161 I HA 0.761 5.010 4.170 -0.255 -0.231 0.290 161 I C -1.058 174.888 176.117 -0.284 0.000 1.056 161 I CA -1.611 59.514 61.300 -0.292 0.000 1.057 161 I CB 3.801 41.515 38.000 -0.477 0.000 1.240 161 I HN 0.111 8.228 8.210 -0.155 0.000 0.423 162 V N 7.328 127.021 119.914 -0.369 0.000 2.530 162 V HA 0.226 4.305 4.120 -0.362 -0.176 0.282 162 V C -0.998 174.722 176.094 -0.624 0.000 1.048 162 V CA 0.235 62.231 62.300 -0.507 0.000 0.997 162 V CB 0.683 32.047 31.823 -0.765 0.000 0.987 162 V HN 0.170 8.140 8.190 -0.367 0.000 0.477 163 I N 5.165 125.450 120.570 -0.475 0.000 2.534 163 I HA 0.469 4.411 4.170 -0.380 0.000 0.288 163 I C -0.311 175.614 176.117 -0.321 0.000 1.077 163 I CA -1.172 59.902 61.300 -0.377 0.000 1.051 163 I CB 3.656 41.474 38.000 -0.303 0.000 1.234 163 I HN 0.264 8.231 8.210 -0.405 0.000 0.425 164 G N 5.758 114.402 108.800 -0.260 0.000 3.424 164 G HA2 -0.043 3.830 3.960 -0.146 0.000 0.263 164 G HA3 -0.043 3.784 3.960 -0.223 0.000 0.263 164 G C -0.765 174.032 174.900 -0.172 0.000 1.310 164 G CA -0.653 44.329 45.100 -0.197 0.000 1.089 164 G HN 0.333 8.484 8.290 -0.231 0.000 0.534 165 I N -0.333 120.124 120.570 -0.190 0.000 2.692 165 I HA -0.096 3.992 4.170 -0.136 0.000 0.284 165 I C -1.785 174.209 176.117 -0.205 0.000 1.159 165 I CA 0.572 61.767 61.300 -0.177 0.000 1.423 165 I CB 1.108 38.989 38.000 -0.198 0.000 1.380 165 I HN -1.059 6.931 8.210 -0.213 0.092 0.580 166 R N 4.661 125.052 120.500 -0.183 0.000 2.909 166 R HA 0.222 4.339 4.340 -0.373 0.000 0.262 166 R C -1.588 174.578 176.300 -0.224 0.000 1.095 166 R CA -1.863 54.093 56.100 -0.241 0.000 0.965 166 R CB 1.827 32.066 30.300 -0.101 0.000 1.300 166 R HN -0.221 7.968 8.270 -0.136 0.000 0.442 167 H N 0.434 119.511 119.070 0.011 0.000 2.800 167 H HA 0.215 4.783 4.556 0.020 0.000 0.291 167 H C 0.209 175.553 175.328 0.027 0.000 1.076 167 H CA 0.504 56.565 56.048 0.021 0.000 1.452 167 H CB 0.297 30.075 29.762 0.028 0.000 1.461 167 H HN 0.115 8.306 8.280 -0.149 0.000 0.488 168 T N -0.552 114.085 114.554 0.139 0.000 3.170 168 T HA 0.195 4.599 4.350 0.090 0.000 0.288 168 T C -1.766 172.993 174.700 0.099 0.000 0.992 168 T CA -1.290 60.870 62.100 0.099 0.000 0.909 168 T CB 1.501 70.415 68.868 0.077 0.000 1.133 168 T HN 0.051 8.378 8.240 0.145 0.000 0.530 169 D N -0.691 119.771 120.400 0.103 0.000 2.599 169 D HA 0.314 4.948 4.640 -0.010 0.000 0.252 169 D C -2.052 174.200 176.300 -0.080 0.000 1.232 169 D CA -2.470 51.549 54.000 0.031 0.000 0.819 169 D CB 0.493 41.393 40.800 0.167 0.000 1.401 169 D HN -0.840 7.610 8.370 0.133 0.000 0.429 170 P HA 0.088 4.376 4.420 -0.220 0.000 0.241 170 P C -0.803 176.298 177.300 -0.330 0.000 1.191 170 P CA 0.212 63.102 63.100 -0.350 0.000 0.771 170 P CB 0.471 31.916 31.700 -0.425 0.000 0.929 171 F N 1.136 121.092 119.950 0.009 0.000 2.518 171 F HA -0.113 4.414 4.527 0.001 0.000 0.359 171 F C 0.693 176.496 175.800 0.005 0.000 1.118 171 F CA 0.298 58.303 58.000 0.009 0.000 1.287 171 F CB -0.275 38.740 39.000 0.025 0.000 1.132 171 F HN -0.929 7.227 8.300 -0.381 -0.084 0.587 172 G N 3.165 112.078 108.800 0.188 0.000 2.265 172 G HA2 -0.101 3.911 3.960 0.087 0.000 0.240 172 G HA3 -0.101 3.890 3.960 0.052 0.000 0.240 172 G C -1.180 173.791 174.900 0.119 0.000 1.270 172 G CA -0.146 45.015 45.100 0.102 0.000 0.901 172 G HN 0.238 8.656 8.290 0.213 0.000 0.507 173 E N 4.109 124.378 120.200 0.115 0.000 2.444 173 E HA -0.071 4.332 4.350 0.088 0.000 0.209 173 E C -0.393 176.248 176.600 0.069 0.000 0.806 173 E CA 0.118 56.584 56.400 0.110 0.000 1.240 173 E CB 0.593 30.393 29.700 0.167 0.000 1.238 173 E HN 0.160 8.585 8.360 0.109 0.000 0.591 174 A N 0.429 123.298 122.820 0.082 0.000 2.648 174 A HA -0.180 4.173 4.320 0.054 0.000 0.297 174 A C -1.492 176.102 177.584 0.016 0.000 1.467 174 A CA 0.496 52.560 52.037 0.045 0.000 0.731 174 A CB -1.152 17.860 19.000 0.019 0.000 1.085 174 A HN -0.071 8.141 8.150 0.104 0.000 0.437 175 L N -2.504 118.740 121.223 0.035 0.000 2.331 175 L HA 0.136 4.587 4.340 -0.081 -0.160 0.275 175 L C -0.333 176.508 176.870 -0.050 0.000 1.022 175 L CA -0.840 53.970 54.840 -0.051 0.000 0.812 175 L CB 1.974 43.962 42.059 -0.118 0.000 1.257 175 L HN -0.264 8.028 8.230 0.104 0.000 0.435 176 K N 2.377 122.716 120.400 -0.101 0.000 2.395 176 K HA 0.416 4.692 4.320 -0.074 0.000 0.247 176 K C -1.743 174.737 176.600 -0.199 0.000 0.973 176 K CA -3.069 53.154 56.287 -0.107 0.000 0.828 176 K CB 1.509 33.966 32.500 -0.071 0.000 1.272 176 K HN -0.438 7.997 8.250 -0.124 -0.260 0.439 177 P HA -0.185 4.166 4.420 -0.464 -0.209 0.217 177 P C -1.032 176.095 177.300 -0.288 0.000 1.150 177 P CA 1.096 63.921 63.100 -0.459 0.000 0.832 177 P CB 0.705 31.831 31.700 -0.955 0.000 0.787 178 I N -5.157 115.309 120.570 -0.174 0.000 2.439 178 I HA 0.423 4.712 4.170 -0.081 -0.168 0.285 178 I C -1.297 174.789 176.117 -0.052 0.000 1.021 178 I CA -1.326 59.935 61.300 -0.064 0.000 1.091 178 I CB 2.264 40.298 38.000 0.057 0.000 1.242 178 I HN -0.757 7.358 8.210 -0.159 0.000 0.439 179 Q N 7.160 126.912 119.800 -0.080 0.000 2.295 179 Q HA 0.221 4.523 4.340 -0.064 0.000 0.268 179 Q C -1.815 174.110 176.000 -0.125 0.000 1.010 179 Q CA -1.119 54.626 55.803 -0.096 0.000 0.856 179 Q CB 4.473 33.130 28.738 -0.135 0.000 1.349 179 Q HN 0.426 8.638 8.270 -0.097 0.000 0.412 180 R N 4.284 124.722 120.500 -0.103 0.000 2.694 180 R HA 0.109 4.363 4.340 -0.144 0.000 0.268 180 R C 1.193 177.348 176.300 -0.242 0.000 1.061 180 R CA -0.057 55.958 56.100 -0.141 0.000 1.133 180 R CB 0.794 31.046 30.300 -0.082 0.000 1.020 180 R HN 0.427 8.655 8.270 -0.071 0.000 0.475 181 T N 1.808 116.144 114.554 -0.364 0.000 2.802 181 T HA -0.142 3.899 4.350 -0.515 0.000 0.305 181 T C -0.235 174.320 174.700 -0.241 0.000 1.053 181 T CA 0.062 61.891 62.100 -0.452 0.000 1.058 181 T CB 0.549 69.033 68.868 -0.640 0.000 0.988 181 T HN -0.151 7.851 8.240 -0.397 0.000 0.539 182 D N 0.371 120.654 120.400 -0.196 0.000 2.433 182 D HA 0.064 4.664 4.640 -0.067 0.000 0.255 182 D C 1.609 177.926 176.300 0.028 0.000 1.226 182 D CA -0.044 53.919 54.000 -0.061 0.000 1.015 182 D CB 1.001 41.783 40.800 -0.030 0.000 1.091 182 D HN 0.106 8.307 8.370 -0.281 0.000 0.527 183 S N -1.411 114.314 115.700 0.041 0.000 2.489 183 S HA -0.222 4.269 4.470 0.036 0.000 0.228 183 S C 0.861 175.505 174.600 0.074 0.000 0.995 183 S CA 2.046 60.273 58.200 0.046 0.000 0.934 183 S CB 0.123 63.338 63.200 0.026 0.000 0.771 183 S HN 0.312 8.640 8.310 0.031 0.000 0.522 184 N N 1.139 119.909 118.700 0.117 0.000 2.137 184 N HA -0.123 4.650 4.740 0.055 0.000 0.190 184 N C -0.620 174.945 175.510 0.093 0.000 1.017 184 N CA 1.690 54.811 53.050 0.119 0.000 0.859 184 N CB 0.025 38.637 38.487 0.208 0.000 1.002 184 N HN -0.096 8.341 8.380 0.123 0.016 0.428 185 W N -1.750 119.515 121.300 -0.059 0.000 2.415 185 W HA 0.327 4.984 4.660 -0.006 0.000 0.355 185 W C -2.099 174.384 176.519 -0.059 0.000 1.161 185 W CA -1.530 55.777 57.345 -0.063 0.000 1.315 185 W CB -0.201 29.159 29.460 -0.168 0.000 1.261 185 W HN -0.733 7.539 8.180 0.380 0.136 0.636 186 P HA -0.052 4.450 4.420 0.137 0.000 0.272 186 P C -1.790 175.565 177.300 0.092 0.000 1.230 186 P CA -0.668 62.550 63.100 0.196 0.000 0.788 186 P CB 0.993 32.893 31.700 0.333 0.000 0.949 187 D N 0.900 121.354 120.400 0.089 0.000 2.338 187 D HA 0.123 4.705 4.640 -0.097 0.000 0.255 187 D C -0.527 175.847 176.300 0.123 0.000 1.237 187 D CA -0.079 53.929 54.000 0.014 0.000 0.883 187 D CB -0.017 40.811 40.800 0.047 0.000 1.087 187 D HN 0.009 8.448 8.370 0.115 0.000 0.485 188 F N -0.474 119.498 119.950 0.037 0.000 2.779 188 F HA 0.257 4.782 4.527 -0.004 0.000 0.316 188 F C -2.990 172.760 175.800 -0.083 0.000 1.164 188 F CA -2.208 55.784 58.000 -0.013 0.000 0.924 188 F CB 1.320 40.321 39.000 0.001 0.000 1.348 188 F HN -0.697 7.288 8.300 -0.526 0.000 0.467 189 M N 0.644 120.318 119.600 0.122 0.000 2.144 189 M HA 0.261 4.687 4.480 -0.089 0.000 0.356 189 M C -0.741 175.542 176.300 -0.027 0.000 1.217 189 M CA -1.170 54.091 55.300 -0.064 0.000 1.087 189 M CB 1.977 34.442 32.600 -0.225 0.000 1.609 189 M HN 0.072 8.433 8.290 0.118 0.000 0.467 190 R N 5.044 125.471 120.500 -0.121 0.000 2.298 190 R HA 0.172 4.476 4.340 -0.060 0.000 0.310 190 R C -0.890 175.302 176.300 -0.180 0.000 1.068 190 R CA -0.446 55.570 56.100 -0.141 0.000 0.957 190 R CB 0.580 30.735 30.300 -0.242 0.000 1.003 190 R HN 0.808 8.972 8.270 -0.177 0.000 0.454 191 L N 4.516 125.621 121.223 -0.197 0.000 2.294 191 L HA 0.520 4.918 4.340 -0.164 -0.156 0.283 191 L C -1.333 175.410 176.870 -0.210 0.000 1.015 191 L CA -1.164 53.566 54.840 -0.183 0.000 0.831 191 L CB 0.890 42.859 42.059 -0.150 0.000 1.217 191 L HN 0.154 8.264 8.230 -0.199 0.000 0.420 192 Q N 1.603 121.269 119.800 -0.225 0.000 2.928 192 Q HA 0.734 5.113 4.340 -0.244 -0.185 0.353 192 Q C -1.733 174.118 176.000 -0.248 0.000 0.870 192 Q CA -2.665 52.989 55.803 -0.247 0.000 0.963 192 Q CB 1.097 29.676 28.738 -0.265 0.000 1.419 192 Q HN 0.264 8.394 8.270 -0.233 0.000 0.396 193 P HA 0.079 4.434 4.420 -0.109 0.000 0.249 193 P C -0.581 176.772 177.300 0.090 0.000 1.229 193 P CA 1.136 64.236 63.100 -0.000 0.000 0.788 193 P CB 0.263 32.042 31.700 0.132 0.000 1.072 194 L N -0.852 120.320 121.223 -0.085 0.000 2.628 194 L HA 0.278 4.549 4.340 -0.114 0.000 0.229 194 L C 0.922 177.782 176.870 -0.016 0.000 1.137 194 L CA -0.922 53.836 54.840 -0.136 0.000 0.909 194 L CB -0.526 41.325 42.059 -0.347 0.000 1.137 194 L HN -0.123 7.967 8.230 -0.149 0.050 0.470 195 L N -1.158 119.974 121.223 -0.152 0.000 2.187 195 L HA -0.329 3.943 4.340 -0.324 -0.128 0.213 195 L C 0.606 177.347 176.870 -0.216 0.000 1.100 195 L CA 2.495 57.136 54.840 -0.333 0.000 0.765 195 L CB -0.361 41.376 42.059 -0.536 0.000 0.904 195 L HN -0.983 7.076 8.230 -0.176 0.066 0.437 196 H N -6.046 113.171 119.070 0.244 0.000 2.529 196 H HA 0.145 4.832 4.556 0.217 0.000 0.277 196 H C -0.266 175.166 175.328 0.173 0.000 1.004 196 H CA -0.608 55.566 56.048 0.210 0.000 1.167 196 H CB -0.454 29.401 29.762 0.156 0.000 1.445 196 H HN -0.253 8.031 8.280 0.044 0.022 0.554 197 W N 0.531 121.861 121.300 0.050 0.000 2.238 197 W HA -0.151 4.518 4.660 0.014 0.000 0.321 197 W C -0.650 175.874 176.519 0.008 0.000 1.293 197 W CA 1.031 58.379 57.345 0.005 0.000 1.204 197 W CB 0.352 29.777 29.460 -0.058 0.000 1.167 197 W HN -0.556 7.902 8.180 0.552 0.053 0.553 198 D N 1.912 122.395 120.400 0.138 0.000 2.487 198 D HA 0.026 4.739 4.640 0.121 0.000 0.262 198 D C 0.056 176.417 176.300 0.101 0.000 1.130 198 D CA -1.891 52.174 54.000 0.108 0.000 1.038 198 D CB 2.086 42.924 40.800 0.063 0.000 1.142 198 D HN -0.112 8.278 8.370 0.033 0.000 0.575 199 L N -2.152 119.115 121.223 0.072 0.000 2.083 199 L HA -0.141 4.136 4.340 -0.106 0.000 0.209 199 L C 1.061 177.986 176.870 0.092 0.000 1.083 199 L CA 3.239 58.085 54.840 0.010 0.000 0.752 199 L CB 0.054 42.157 42.059 0.074 0.000 0.899 199 L HN 0.124 8.862 8.230 0.078 -0.461 0.433 200 T N -2.535 112.159 114.554 0.233 0.000 2.821 200 T HA -0.375 4.406 4.350 0.719 0.000 0.267 200 T C 1.826 176.721 174.700 0.324 0.000 1.046 200 T CA 4.049 66.408 62.100 0.433 0.000 1.139 200 T CB -0.751 68.316 68.868 0.332 0.000 0.871 200 T HN 0.039 8.473 8.240 0.187 -0.082 0.454 201 N N 3.118 121.913 118.700 0.160 0.000 2.120 201 N HA -0.177 4.604 4.740 0.068 0.000 0.188 201 N C 2.278 177.968 175.510 0.300 0.000 1.024 201 N CA 3.044 56.142 53.050 0.080 0.000 0.852 201 N CB -0.515 37.811 38.487 -0.268 0.000 1.003 201 N HN -0.430 8.291 8.380 0.113 -0.273 0.424 202 I N 0.694 121.419 120.570 0.258 0.000 2.142 202 I HA -0.372 3.985 4.170 0.312 0.000 0.240 202 I C 1.667 177.790 176.117 0.010 0.000 1.078 202 I CA 3.018 64.387 61.300 0.116 0.000 1.343 202 I CB -1.070 36.789 38.000 -0.235 0.000 1.046 202 I HN -0.518 7.794 8.210 0.169 0.000 0.405 203 W N -2.359 118.879 121.300 -0.103 0.000 2.381 203 W HA -0.439 4.042 4.660 -0.298 0.000 0.301 203 W C 2.499 178.727 176.519 -0.484 0.000 1.205 203 W CA 2.419 59.506 57.345 -0.431 0.000 1.285 203 W CB -0.171 28.746 29.460 -0.906 0.000 1.133 203 W HN -0.475 7.608 8.180 -0.161 0.000 0.521 204 S N -0.122 115.532 115.700 -0.077 0.000 2.359 204 S HA -0.413 4.202 4.470 0.241 0.000 0.224 204 S C 2.132 176.972 174.600 0.399 0.000 1.035 204 S CA 3.404 61.761 58.200 0.262 0.000 1.018 204 S CB -0.234 63.284 63.200 0.530 0.000 0.876 204 S HN -0.321 8.001 8.310 0.021 0.000 0.448 205 F N 2.768 122.812 119.950 0.157 0.000 2.146 205 F HA -0.236 4.301 4.527 0.016 0.000 0.298 205 F C 1.256 177.151 175.800 0.159 0.000 1.096 205 F CA 3.307 61.343 58.000 0.061 0.000 1.275 205 F CB 0.394 39.390 39.000 -0.008 0.000 1.008 205 F HN -0.432 8.115 8.300 0.412 0.000 0.480 206 L N -0.750 120.549 121.223 0.126 0.000 2.093 206 L HA -0.323 3.975 4.340 -0.069 0.000 0.208 206 L C 1.457 178.305 176.870 -0.037 0.000 1.085 206 L CA 2.730 57.579 54.840 0.015 0.000 0.755 206 L CB -0.205 41.906 42.059 0.086 0.000 0.904 206 L HN -0.183 8.178 8.230 0.218 0.000 0.435 207 L N -2.795 118.420 121.223 -0.012 0.000 2.072 207 L HA -0.452 3.789 4.340 -0.165 0.000 0.205 207 L C 2.768 179.646 176.870 0.012 0.000 1.079 207 L CA 3.055 57.845 54.840 -0.083 0.000 0.752 207 L CB -0.331 41.639 42.059 -0.148 0.000 0.906 207 L HN -0.189 8.056 8.230 0.025 0.000 0.436 208 Y N 0.722 121.049 120.300 0.044 0.000 2.241 208 Y HA -0.376 4.418 4.550 0.139 -0.161 0.286 208 Y C 1.422 177.326 175.900 0.008 0.000 1.166 208 Y CA 2.583 60.752 58.100 0.116 0.000 1.203 208 Y CB 0.135 38.805 38.460 0.350 0.000 0.977 208 Y HN -0.337 8.139 8.280 0.326 0.000 0.529 209 S N -0.972 114.623 115.700 -0.175 0.000 2.423 209 S HA -0.315 3.966 4.470 -0.314 0.000 0.231 209 S C 0.756 175.261 174.600 -0.159 0.000 1.014 209 S CA 2.644 60.675 58.200 -0.282 0.000 0.965 209 S CB -0.207 62.775 63.200 -0.364 0.000 0.785 209 S HN -0.292 7.797 8.310 -0.171 0.118 0.495 210 N N -1.892 116.731 118.700 -0.129 0.000 2.778 210 N HA -0.363 4.321 4.740 -0.093 0.000 0.249 210 N C -1.074 174.423 175.510 -0.021 0.000 1.069 210 N CA 1.829 54.832 53.050 -0.078 0.000 0.831 210 N CB -0.939 37.509 38.487 -0.065 0.000 1.142 210 N HN -0.534 7.721 8.380 -0.138 0.043 0.573 211 E N -0.676 119.521 120.200 -0.004 0.000 2.404 211 E HA 0.138 4.531 4.350 0.072 0.000 0.261 211 E C -2.015 174.654 176.600 0.115 0.000 1.074 211 E CA -1.626 54.818 56.400 0.074 0.000 0.917 211 E CB -0.044 29.734 29.700 0.129 0.000 0.965 211 E HN -0.534 7.732 8.360 -0.037 0.071 0.433 212 P HA 0.210 4.964 4.420 0.162 -0.236 0.271 212 P C -0.971 176.569 177.300 0.400 0.000 1.216 212 P CA -0.452 62.791 63.100 0.238 0.000 0.776 212 P CB 0.724 32.574 31.700 0.250 0.000 0.881 213 I N -3.327 117.387 120.570 0.241 0.000 2.785 213 I HA 0.502 4.947 4.170 0.219 -0.143 0.302 213 I C -0.787 175.121 176.117 -0.348 0.000 1.069 213 I CA -2.817 58.541 61.300 0.097 0.000 1.045 213 I CB 3.967 42.074 38.000 0.178 0.000 1.236 213 I HN 0.374 8.684 8.210 0.166 0.000 0.429 214 C N 3.192 121.997 119.300 -0.825 0.000 2.538 214 C HA -0.239 3.315 4.460 -1.509 0.000 0.408 214 C C 2.223 177.003 174.990 -0.349 0.000 1.421 214 C CA 1.024 59.446 59.018 -0.994 0.000 1.642 214 C CB 1.382 28.636 27.740 -0.811 0.000 2.553 214 C HN 0.827 8.691 8.230 -0.610 0.000 0.604 215 G N 6.467 115.110 108.800 -0.262 0.000 2.470 215 G HA2 -0.261 3.837 3.960 -0.044 0.000 0.220 215 G HA3 -0.261 3.711 3.960 0.020 0.000 0.220 215 G C 0.404 175.229 174.900 -0.126 0.000 1.121 215 G CA 1.344 46.398 45.100 -0.077 0.000 0.766 215 G HN 0.566 8.687 8.290 -0.281 0.000 0.553 216 L N 0.092 121.094 121.223 -0.368 0.000 2.081 216 L HA -0.499 3.574 4.340 -0.446 0.000 0.212 216 L C 1.877 178.576 176.870 -0.285 0.000 1.080 216 L CA 2.401 56.904 54.840 -0.563 0.000 0.754 216 L CB -0.502 40.846 42.059 -1.186 0.000 0.893 216 L HN -0.862 7.070 8.230 -0.457 0.024 0.433 217 Y N -2.902 117.411 120.300 0.022 0.000 2.274 217 Y HA -0.084 4.760 4.550 0.195 -0.176 0.290 217 Y C 2.867 178.782 175.900 0.024 0.000 1.145 217 Y CA 1.686 59.889 58.100 0.172 0.000 1.203 217 Y CB -1.179 37.531 38.460 0.416 0.000 0.984 217 Y HN -0.423 7.645 8.280 -0.338 0.010 0.533 218 G N -3.275 105.658 108.800 0.221 0.000 2.470 218 G HA2 -0.279 3.795 3.960 0.190 0.000 0.220 218 G HA3 -0.279 3.648 3.960 -0.055 0.000 0.220 218 G C 0.308 175.178 174.900 -0.050 0.000 1.121 218 G CA 1.218 46.368 45.100 0.082 0.000 0.766 218 G HN -0.410 7.950 8.290 0.262 0.088 0.553 219 K N -1.647 118.735 120.400 -0.029 0.000 2.417 219 K HA 0.031 4.318 4.320 -0.055 0.000 0.196 219 K C 0.056 176.555 176.600 -0.167 0.000 1.023 219 K CA -1.175 55.068 56.287 -0.074 0.000 1.122 219 K CB -0.390 32.048 32.500 -0.103 0.000 0.850 219 K HN -0.634 7.463 8.250 -0.005 0.151 0.521 220 G N -2.242 106.477 108.800 -0.136 0.000 2.179 220 G HA2 -0.343 3.440 3.960 -0.296 0.000 0.220 220 G HA3 -0.343 3.733 3.960 -0.129 -0.194 0.220 220 G C -0.680 174.084 174.900 -0.225 0.000 0.990 220 G CA -0.199 44.781 45.100 -0.201 0.000 0.646 220 G HN -0.446 7.733 8.290 -0.096 0.054 0.517 221 F N 0.665 120.474 119.950 -0.235 0.000 2.563 221 F HA -0.016 4.411 4.527 -0.166 0.000 0.363 221 F C 0.151 176.089 175.800 0.230 0.000 1.123 221 F CA 1.239 59.171 58.000 -0.114 0.000 1.307 221 F CB 0.646 39.486 39.000 -0.267 0.000 1.115 221 F HN -0.881 7.555 8.300 0.226 0.000 0.592 222 T N -2.135 112.653 114.554 0.390 0.000 3.003 222 T HA 0.009 4.797 4.350 0.731 0.000 0.261 222 T C -1.046 173.930 174.700 0.460 0.000 1.003 222 T CA -0.217 62.194 62.100 0.520 0.000 0.917 222 T CB 1.324 70.419 68.868 0.378 0.000 1.084 222 T HN 0.491 8.875 8.240 0.241 0.000 0.522 223 S N 0.418 116.366 115.700 0.414 0.000 2.566 223 S HA 0.216 4.887 4.470 0.335 0.000 0.273 223 S C -1.871 172.927 174.600 0.330 0.000 1.157 223 S CA -0.452 57.945 58.200 0.328 0.000 0.938 223 S CB 1.271 64.605 63.200 0.223 0.000 1.087 223 S HN -0.591 7.959 8.310 0.399 0.000 0.474 224 I N 6.492 127.214 120.570 0.253 0.000 2.362 224 I HA 0.115 4.440 4.170 0.258 0.000 0.289 224 I C -1.005 175.257 176.117 0.240 0.000 0.994 224 I CA -0.782 60.630 61.300 0.187 0.000 1.158 224 I CB 1.764 39.730 38.000 -0.056 0.000 1.315 224 I HN 0.378 8.735 8.210 0.245 0.000 0.451 225 G N 5.566 114.565 108.800 0.332 0.000 3.310 225 G HA2 0.393 4.689 3.960 0.239 0.000 0.176 225 G HA3 0.393 4.481 3.960 0.214 0.000 0.176 225 G C -1.766 173.304 174.900 0.283 0.000 1.307 225 G CA -1.452 43.807 45.100 0.265 0.000 0.935 225 G HN -0.296 8.250 8.290 0.426 0.000 0.628 226 G N -2.570 106.316 108.800 0.142 0.000 2.601 226 G HA2 0.660 4.564 3.960 -0.093 0.000 0.317 226 G HA3 0.660 4.580 3.960 -0.169 -0.062 0.317 226 G C 0.046 174.744 174.900 -0.337 0.000 1.246 226 G CA -1.948 43.089 45.100 -0.104 0.000 1.012 226 G HN -0.414 8.271 8.290 0.134 -0.315 0.494 227 I N -1.951 118.201 120.570 -0.697 0.000 2.335 227 I HA -0.423 3.029 4.170 -1.196 0.000 0.251 227 I C 0.346 176.388 176.117 -0.125 0.000 1.129 227 I CA 3.137 64.021 61.300 -0.694 0.000 1.402 227 I CB 0.345 38.048 38.000 -0.495 0.000 1.069 227 I HN 0.444 8.180 8.210 -0.614 0.106 0.424 228 N N -3.567 115.090 118.700 -0.071 0.000 2.325 228 N HA -0.087 4.679 4.740 0.044 0.000 0.182 228 N C -0.453 175.100 175.510 0.071 0.000 1.088 228 N CA 0.676 53.738 53.050 0.019 0.000 0.879 228 N CB -0.141 38.343 38.487 -0.005 0.000 0.983 228 N HN 0.150 8.433 8.380 -0.108 0.033 0.471 229 N N -1.698 117.057 118.700 0.091 0.000 2.238 229 N HA 0.103 4.903 4.740 0.101 0.000 0.235 229 N C -1.655 173.959 175.510 0.172 0.000 1.209 229 N CA -0.527 52.591 53.050 0.114 0.000 0.879 229 N CB 1.385 39.925 38.487 0.089 0.000 1.136 229 N HN -0.545 7.779 8.380 0.079 0.104 0.517 230 S N -1.137 114.720 115.700 0.261 0.000 2.535 230 S HA 0.696 5.504 4.470 0.202 -0.217 0.272 230 S C -1.607 173.212 174.600 0.364 0.000 1.149 230 S CA -0.654 57.738 58.200 0.321 0.000 0.888 230 S CB 2.213 65.681 63.200 0.447 0.000 1.110 230 S HN -0.767 7.716 8.310 0.288 0.000 0.463 231 L N -0.697 120.501 121.223 -0.043 0.000 2.322 231 L HA 0.576 4.652 4.340 -0.439 0.000 0.252 231 L C -2.541 173.518 176.870 -1.352 0.000 1.055 231 L CA -2.838 51.671 54.840 -0.551 0.000 0.849 231 L CB 1.427 43.269 42.059 -0.361 0.000 1.446 231 L HN 0.187 8.261 8.230 -0.095 0.099 0.416 232 P HA -0.092 3.371 4.420 -1.636 -0.025 0.268 232 P C -1.580 175.154 177.300 -0.944 0.000 1.208 232 P CA -0.000 62.097 63.100 -1.671 0.000 0.777 232 P CB 0.620 30.989 31.700 -2.219 0.000 0.875 233 N N 1.273 119.668 118.700 -0.508 0.000 2.442 233 N HA 0.028 4.676 4.740 -0.152 0.000 0.265 233 N C 0.322 175.829 175.510 -0.005 0.000 1.138 233 N CA -2.245 50.715 53.050 -0.150 0.000 0.956 233 N CB 1.018 39.527 38.487 0.037 0.000 1.067 233 N HN -0.072 7.943 8.380 -0.451 0.095 0.474 234 P HA -0.089 4.414 4.420 0.139 0.000 0.222 234 P C 1.037 178.260 177.300 -0.128 0.000 1.147 234 P CA 1.856 64.928 63.100 -0.047 0.000 0.790 234 P CB 0.056 31.636 31.700 -0.200 0.000 0.780 235 H N -2.468 116.647 119.070 0.074 0.000 2.556 235 H HA -0.051 4.530 4.556 0.043 0.000 0.268 235 H C 0.810 176.177 175.328 0.065 0.000 0.996 235 H CA 1.621 57.704 56.048 0.058 0.000 1.157 235 H CB -0.346 29.449 29.762 0.055 0.000 1.355 235 H HN -0.269 8.267 8.280 -0.015 -0.265 0.597 236 L N -3.113 118.226 121.223 0.193 0.000 2.693 236 L HA 0.159 4.592 4.340 0.154 0.000 0.235 236 L C -0.974 175.995 176.870 0.165 0.000 1.127 236 L CA -0.930 54.033 54.840 0.206 0.000 0.914 236 L CB 0.557 42.747 42.059 0.218 0.000 1.193 236 L HN 0.006 8.189 8.230 0.207 0.171 0.502 237 R N 0.921 121.399 120.500 -0.037 0.000 2.480 237 R HA -0.190 3.776 4.340 -0.938 -0.189 0.303 237 R C 1.090 177.285 176.300 -0.175 0.000 0.985 237 R CA 1.157 56.996 56.100 -0.435 0.000 1.051 237 R CB 0.202 30.267 30.300 -0.393 0.000 0.935 237 R HN -0.871 7.411 8.270 0.021 0.000 0.410 238 K N 6.660 126.920 120.400 -0.233 0.000 2.097 238 K HA -0.227 4.224 4.320 0.219 0.000 0.205 238 K C 1.666 178.243 176.600 -0.038 0.000 1.050 238 K CA 3.255 59.498 56.287 -0.075 0.000 0.938 238 K CB 0.146 32.441 32.500 -0.342 0.000 0.718 238 K HN 0.367 8.276 8.250 -0.398 0.102 0.442 239 D N -4.111 116.222 120.400 -0.111 0.000 2.378 239 D HA -0.051 4.556 4.640 -0.054 0.000 0.227 239 D C 0.621 176.894 176.300 -0.045 0.000 1.012 239 D CA 1.759 55.715 54.000 -0.072 0.000 0.905 239 D CB -0.837 39.911 40.800 -0.087 0.000 0.895 239 D HN -0.142 8.245 8.370 -0.168 -0.118 0.532 240 S N -3.393 112.283 115.700 -0.039 0.000 2.893 240 S HA 0.075 4.535 4.470 -0.016 0.000 0.258 240 S C -0.501 174.100 174.600 0.001 0.000 1.034 240 S CA -0.170 58.017 58.200 -0.022 0.000 1.167 240 S CB 1.898 65.075 63.200 -0.039 0.000 1.137 240 S HN -0.605 7.607 8.310 -0.045 0.071 0.650 241 N N 0.454 119.165 118.700 0.018 0.000 2.405 241 N HA 0.085 4.829 4.740 0.006 0.000 0.274 241 N C -2.474 173.028 175.510 -0.013 0.000 1.170 241 N CA 0.437 53.492 53.050 0.009 0.000 0.848 241 N CB 3.657 42.153 38.487 0.015 0.000 1.629 241 N HN -0.645 7.755 8.380 0.033 0.000 0.481 242 N N 0.799 119.447 118.700 -0.085 0.000 2.733 242 N HA 0.351 4.963 4.740 -0.213 0.000 0.271 242 N C -2.525 172.856 175.510 -0.214 0.000 1.720 242 N CA -1.623 51.338 53.050 -0.148 0.000 0.803 242 N CB 0.808 39.277 38.487 -0.030 0.000 1.208 242 N HN 0.200 8.540 8.380 -0.067 0.000 0.498 243 P HA 0.148 4.510 4.420 -0.096 0.000 0.275 243 P C -1.572 175.668 177.300 -0.100 0.000 1.228 243 P CA -0.297 62.700 63.100 -0.172 0.000 0.786 243 P CB 0.681 32.310 31.700 -0.119 0.000 0.927 244 A N 2.155 124.902 122.820 -0.122 0.000 2.351 244 A HA -0.001 4.258 4.320 -0.102 0.000 0.257 244 A C -0.597 176.760 177.584 -0.379 0.000 1.087 244 A CA -0.336 51.569 52.037 -0.220 0.000 0.798 244 A CB 0.783 19.577 19.000 -0.345 0.000 1.033 244 A HN 0.036 8.115 8.150 -0.118 0.000 0.488 245 L N -0.331 120.692 121.223 -0.334 0.000 2.290 245 L HA 0.004 3.931 4.340 -0.688 0.000 0.284 245 L C 0.011 176.565 176.870 -0.526 0.000 1.078 245 L CA 0.163 54.706 54.840 -0.494 0.000 0.815 245 L CB 0.520 42.406 42.059 -0.288 0.000 1.162 245 L HN 0.096 8.222 8.230 -0.173 0.000 0.435 246 H N 5.713 124.508 119.070 -0.457 0.000 2.586 246 H HA 0.134 4.469 4.556 -0.369 0.000 0.273 246 H C -0.269 174.638 175.328 -0.703 0.000 0.997 246 H CA 1.061 56.729 56.048 -0.632 0.000 1.177 246 H CB 0.541 29.772 29.762 -0.885 0.000 1.471 246 H HN 0.452 8.418 8.280 -0.523 0.000 0.538 247 F N -3.569 116.463 119.950 0.136 0.000 2.764 247 F HA 0.353 5.180 4.527 0.231 -0.161 0.310 247 F C -0.057 175.839 175.800 0.159 0.000 1.124 247 F CA -2.207 55.898 58.000 0.176 0.000 1.252 247 F CB -0.125 38.967 39.000 0.153 0.000 1.010 247 F HN -0.458 7.741 8.300 -0.087 0.049 0.518 248 E N 2.369 122.698 120.200 0.215 0.000 2.085 248 E HA -0.425 4.014 4.350 0.148 0.000 0.194 248 E C 1.246 177.998 176.600 0.254 0.000 0.994 248 E CA 4.224 60.733 56.400 0.183 0.000 0.801 248 E CB -0.442 29.331 29.700 0.121 0.000 0.743 248 E HN 0.035 8.471 8.360 0.128 0.000 0.453 249 W N -2.253 119.156 121.300 0.181 0.000 2.355 249 W HA -0.322 4.549 4.660 0.352 0.000 0.309 249 W C 1.328 178.058 176.519 0.353 0.000 1.206 249 W CA 3.620 61.133 57.345 0.280 0.000 1.284 249 W CB -0.008 29.558 29.460 0.176 0.000 1.145 249 W HN -0.086 8.384 8.180 0.483 0.000 0.502 250 E N -2.743 117.892 120.200 0.726 0.000 2.077 250 E HA -0.377 4.514 4.350 0.901 0.000 0.193 250 E C 2.471 179.244 176.600 0.288 0.000 0.989 250 E CA 3.853 60.651 56.400 0.664 0.000 0.800 250 E CB -0.523 29.560 29.700 0.639 0.000 0.746 250 E HN 0.056 8.844 8.360 0.715 0.000 0.452 251 I N 0.240 120.909 120.570 0.165 0.000 2.163 251 I HA -0.459 3.691 4.170 -0.033 0.000 0.240 251 I C 1.927 177.981 176.117 -0.106 0.000 1.081 251 I CA 4.183 65.484 61.300 0.000 0.000 1.353 251 I CB 0.177 38.173 38.000 -0.007 0.000 1.054 251 I HN -0.378 7.966 8.210 0.223 0.000 0.407 252 I N -1.408 119.059 120.570 -0.172 0.000 2.315 252 I HA -0.344 3.808 4.170 -0.299 -0.161 0.248 252 I C 1.567 177.327 176.117 -0.596 0.000 1.117 252 I CA 1.329 62.393 61.300 -0.394 0.000 1.404 252 I CB -0.771 36.907 38.000 -0.537 0.000 1.071 252 I HN -0.325 7.824 8.210 -0.102 0.000 0.419 253 H N -4.733 114.060 119.070 -0.462 0.000 2.487 253 H HA 0.145 4.449 4.556 -0.420 0.000 0.290 253 H C -1.254 173.870 175.328 -0.340 0.000 1.081 253 H CA -1.393 54.334 56.048 -0.534 0.000 1.116 253 H CB -0.786 28.272 29.762 -1.174 0.000 1.560 253 H HN -0.579 7.447 8.280 -0.393 0.018 0.548 254 A N -0.807 121.875 122.820 -0.231 0.000 2.561 254 A HA -0.246 3.860 4.320 -0.581 -0.135 0.234 254 A C -0.318 176.993 177.584 -0.455 0.000 1.055 254 A CA 0.654 52.456 52.037 -0.391 0.000 0.756 254 A CB 0.511 19.367 19.000 -0.239 0.000 0.986 254 A HN -0.964 6.992 8.150 -0.217 0.064 0.505 255 F N 5.020 124.438 119.950 -0.887 0.000 2.580 255 F HA -0.348 3.939 4.527 -0.400 0.000 0.398 255 F C 1.120 176.760 175.800 -0.267 0.000 1.023 255 F CA 2.165 59.861 58.000 -0.506 0.000 1.188 255 F CB 0.544 39.278 39.000 -0.443 0.000 1.005 255 F HN -0.037 7.623 8.300 -1.068 0.000 0.546 256 G N 5.794 114.112 108.800 -0.802 0.000 2.257 256 G HA2 -0.560 3.082 3.960 -0.530 0.000 0.267 256 G HA3 -0.560 3.025 3.960 -0.624 0.000 0.267 256 G C -0.296 174.432 174.900 -0.287 0.000 0.984 256 G CA 0.523 45.277 45.100 -0.577 0.000 0.626 256 G HN 0.205 7.970 8.290 -0.875 0.000 0.540 257 K N -0.245 120.010 120.400 -0.241 0.000 2.062 257 K HA -0.119 4.111 4.320 -0.151 0.000 0.205 257 K C -0.174 176.317 176.600 -0.183 0.000 1.051 257 K CA 1.502 57.680 56.287 -0.181 0.000 0.941 257 K CB 1.044 33.436 32.500 -0.180 0.000 0.719 257 K HN -0.452 7.542 8.250 -0.259 0.100 0.440 264 S N 4.742 120.386 115.700 -0.093 0.000 2.387 264 S HA -0.286 4.092 4.470 -0.153 0.000 0.230 264 S C 0.559 175.094 174.600 -0.107 0.000 1.035 264 S CA 2.291 60.412 58.200 -0.131 0.000 1.014 264 S CB 0.142 63.243 63.200 -0.166 0.000 0.836 264 S HN 0.448 8.704 8.310 -0.089 0.000 0.466 265 S N -2.550 113.112 115.700 -0.063 0.000 2.577 265 S HA 0.018 4.466 4.470 -0.035 0.000 0.219 265 S C -0.225 174.373 174.600 -0.003 0.000 0.962 265 S CA -0.721 57.463 58.200 -0.026 0.000 0.921 265 S CB 0.034 63.238 63.200 0.006 0.000 0.789 265 S HN -0.427 7.833 8.310 -0.053 0.018 0.497 266 A N 3.214 126.021 122.820 -0.022 0.000 2.354 266 A HA 0.118 4.453 4.320 0.025 0.000 0.269 266 A C -2.078 175.486 177.584 -0.034 0.000 1.109 266 A CA 0.253 52.286 52.037 -0.006 0.000 0.800 266 A CB 1.278 20.271 19.000 -0.010 0.000 1.045 266 A HN -0.461 7.612 8.150 -0.039 0.053 0.489 267 I N -0.042 120.518 120.570 -0.017 0.000 2.406 267 I HA 0.017 4.101 4.170 -0.144 0.000 0.290 267 I C -0.337 175.759 176.117 -0.035 0.000 0.999 267 I CA -1.152 60.088 61.300 -0.100 0.000 1.124 267 I CB 2.685 40.545 38.000 -0.233 0.000 1.289 267 I HN -0.081 8.148 8.210 0.032 0.000 0.441 268 N N 9.773 128.444 118.700 -0.048 0.000 2.892 268 N HA -0.042 4.711 4.740 0.022 0.000 0.300 268 N C -0.748 174.795 175.510 0.055 0.000 1.211 268 N CA -0.880 52.176 53.050 0.010 0.000 1.158 268 N CB -1.018 37.475 38.487 0.010 0.000 1.455 268 N HN 0.454 8.784 8.380 -0.083 0.000 0.524 269 T N 0.239 114.843 114.554 0.083 0.000 2.882 269 T HA 0.409 4.985 4.350 0.109 -0.161 0.287 269 T C 0.403 175.164 174.700 0.101 0.000 0.992 269 T CA -1.396 60.772 62.100 0.113 0.000 1.076 269 T CB 1.092 70.062 68.868 0.171 0.000 0.961 269 T HN -0.497 7.763 8.240 0.084 0.030 0.490 270 S N 4.760 120.512 115.700 0.088 0.000 2.603 270 S HA 0.240 4.802 4.470 0.152 0.000 0.268 270 S C -1.092 173.556 174.600 0.080 0.000 1.317 270 S CA -1.396 56.881 58.200 0.129 0.000 1.012 270 S CB -0.265 63.086 63.200 0.251 0.000 0.926 270 S HN 0.324 8.654 8.310 0.034 0.000 0.539 271 P HA 0.012 4.469 4.420 0.062 0.000 0.271 271 P C -1.329 176.002 177.300 0.052 0.000 1.216 271 P CA -0.153 62.986 63.100 0.064 0.000 0.771 271 P CB 0.378 32.112 31.700 0.058 0.000 0.864 272 I N 2.015 122.616 120.570 0.052 0.000 2.441 272 I HA -0.065 4.129 4.170 0.039 0.000 0.287 272 I C 0.502 176.637 176.117 0.029 0.000 1.049 272 I CA -2.257 59.073 61.300 0.050 0.000 1.381 272 I CB -0.441 37.616 38.000 0.095 0.000 1.409 272 I HN -0.036 8.209 8.210 0.059 0.000 0.523 273 S N 4.874 120.581 115.700 0.011 0.000 2.579 273 S HA -0.010 4.466 4.470 0.010 0.000 0.275 273 S C 1.700 176.285 174.600 -0.025 0.000 1.345 273 S CA -0.958 57.242 58.200 -0.000 0.000 1.031 273 S CB 1.595 64.797 63.200 0.003 0.000 0.892 273 S HN -0.196 8.119 8.310 0.008 0.000 0.529 274 V N 4.274 124.177 119.914 -0.019 0.000 2.332 274 V HA -0.286 3.821 4.120 -0.022 0.000 0.248 274 V C 0.942 177.000 176.094 -0.060 0.000 1.055 274 V CA 3.194 65.478 62.300 -0.028 0.000 1.038 274 V CB -0.346 31.467 31.823 -0.016 0.000 0.651 274 V HN 0.571 8.755 8.190 -0.010 0.000 0.450 275 V N 0.254 120.131 119.914 -0.062 0.000 2.324 275 V HA -0.480 3.592 4.120 -0.080 0.000 0.250 275 V C 0.996 176.988 176.094 -0.171 0.000 1.060 275 V CA 4.007 66.254 62.300 -0.088 0.000 1.042 275 V CB -0.209 31.576 31.823 -0.063 0.000 0.650 275 V HN -0.481 7.682 8.190 -0.045 0.000 0.450 276 D N -1.935 118.334 120.400 -0.218 0.000 2.183 276 D HA -0.237 4.034 4.640 -0.615 0.000 0.203 276 D C 2.473 178.383 176.300 -0.650 0.000 0.969 276 D CA 3.355 57.034 54.000 -0.535 0.000 0.842 276 D CB -0.564 39.975 40.800 -0.436 0.000 0.957 276 D HN -0.685 7.515 8.370 -0.148 0.082 0.484 277 K N -1.146 119.112 120.400 -0.236 0.000 2.097 277 K HA -0.340 4.002 4.320 0.036 0.000 0.206 277 K C 1.908 178.467 176.600 -0.069 0.000 1.049 277 K CA 3.258 59.507 56.287 -0.064 0.000 0.933 277 K CB -0.078 32.423 32.500 0.001 0.000 0.717 277 K HN -0.330 7.738 8.250 -0.158 0.088 0.442 278 E N -1.424 118.709 120.200 -0.113 0.000 2.031 278 E HA -0.272 4.048 4.350 -0.050 0.000 0.193 278 E C 2.393 178.926 176.600 -0.113 0.000 0.994 278 E CA 2.619 58.968 56.400 -0.085 0.000 0.800 278 E CB -0.135 29.518 29.700 -0.079 0.000 0.752 278 E HN -0.594 7.690 8.360 -0.127 0.000 0.447 279 R N -0.976 119.399 120.500 -0.208 0.000 2.159 279 R HA -0.280 3.983 4.340 -0.128 0.000 0.237 279 R C 2.036 178.270 176.300 -0.109 0.000 1.131 279 R CA 2.987 58.967 56.100 -0.200 0.000 0.982 279 R CB -0.390 29.736 30.300 -0.289 0.000 0.868 279 R HN -0.535 7.578 8.270 -0.262 0.000 0.453 280 F N -4.366 115.549 119.950 -0.058 0.000 2.727 280 F HA 0.250 4.537 4.527 -0.401 0.000 0.302 280 F C 1.302 177.045 175.800 -0.095 0.000 1.097 280 F CA -2.336 55.612 58.000 -0.087 0.000 1.330 280 F CB -0.918 38.212 39.000 0.217 0.000 1.084 280 F HN -0.228 7.852 8.300 -0.155 0.128 0.578 281 S N 2.081 117.818 115.700 0.062 0.000 2.382 281 S HA -0.260 4.268 4.470 0.096 0.000 0.228 281 S C 1.082 175.690 174.600 0.013 0.000 1.027 281 S CA 3.201 61.430 58.200 0.049 0.000 0.991 281 S CB -0.449 62.760 63.200 0.015 0.000 0.823 281 S HN -0.199 8.002 8.310 0.016 0.118 0.469 282 K N -1.338 119.007 120.400 -0.091 0.000 2.152 282 K HA -0.215 4.089 4.320 -0.026 0.000 0.206 282 K C 0.255 176.868 176.600 0.021 0.000 1.048 282 K CA 1.182 57.416 56.287 -0.087 0.000 0.933 282 K CB -0.379 32.021 32.500 -0.168 0.000 0.721 282 K HN 0.005 8.169 8.250 -0.143 0.000 0.447 287 Y N -1.443 118.734 120.300 -0.207 0.000 2.406 287 Y HA 0.337 4.983 4.550 -0.168 -0.196 0.340 287 Y C -0.246 175.476 175.900 -0.297 0.000 0.975 287 Y CA -1.452 56.518 58.100 -0.217 0.000 1.056 287 Y CB 2.193 40.515 38.460 -0.229 0.000 1.210 287 Y HN -0.697 7.577 8.280 -0.010 0.000 0.448 288 Y N 4.251 124.444 120.300 -0.179 0.000 2.578 288 Y HA 0.017 4.290 4.550 -0.461 0.000 0.339 288 Y C -1.090 174.603 175.900 -0.346 0.000 1.231 288 Y CA 0.197 58.063 58.100 -0.390 0.000 1.461 288 Y CB 0.180 38.298 38.460 -0.570 0.000 1.323 288 Y HN 0.259 8.603 8.280 0.106 0.000 0.590 289 P HA -0.120 4.074 4.420 -0.571 -0.116 0.269 289 P C 0.943 177.875 177.300 -0.614 0.000 1.217 289 P CA 0.300 62.954 63.100 -0.743 0.000 0.783 289 P CB 0.493 31.177 31.700 -1.694 0.000 0.898 290 G N 0.143 108.646 108.800 -0.494 0.000 2.475 290 G HA2 -0.278 3.888 3.960 0.131 0.000 0.220 290 G HA3 -0.278 3.708 3.960 0.043 0.000 0.220 290 G C 0.986 175.612 174.900 -0.457 0.000 1.125 290 G CA 1.943 46.960 45.100 -0.137 0.000 0.755 290 G HN 0.482 8.508 8.290 -0.440 0.000 0.565 291 W N -3.594 117.123 121.300 -0.972 0.000 2.961 291 W HA -0.092 2.864 4.660 -2.841 0.000 0.240 291 W C -0.318 175.944 176.519 -0.428 0.000 1.305 291 W CA -1.118 55.316 57.345 -1.518 0.000 1.465 291 W CB -2.017 26.655 29.460 -1.313 0.000 1.135 291 W HN -0.446 6.988 8.180 -1.199 0.027 0.688 292 Y N -2.273 117.863 120.300 -0.274 0.000 2.511 292 Y HA -0.081 4.486 4.550 0.028 0.000 0.279 292 Y C 0.118 176.047 175.900 0.048 0.000 1.157 292 Y CA 1.424 59.480 58.100 -0.072 0.000 1.300 292 Y CB 0.349 38.694 38.460 -0.192 0.000 1.052 292 Y HN -0.731 7.402 8.280 -0.137 0.065 0.529 293 L N -0.296 121.072 121.223 0.242 0.000 2.275 293 L HA 0.243 4.731 4.340 0.246 0.000 0.288 293 L C -0.850 176.292 176.870 0.454 0.000 1.046 293 L CA -0.343 54.684 54.840 0.312 0.000 0.805 293 L CB 2.054 44.301 42.059 0.314 0.000 1.193 293 L HN -0.330 7.864 8.230 0.189 0.150 0.426 294 V N 0.267 120.382 119.914 0.336 0.000 3.502 294 V HA 0.153 4.554 4.120 0.468 0.000 0.288 294 V C -0.966 175.238 176.094 0.183 0.000 1.461 294 V CA -0.667 61.828 62.300 0.326 0.000 1.029 294 V CB 0.631 32.575 31.823 0.202 0.000 0.843 294 V HN 0.131 8.472 8.190 0.252 0.000 0.438 295 D N 1.768 122.247 120.400 0.133 0.000 2.352 295 D HA 0.091 4.756 4.640 0.042 0.000 0.245 295 D C 0.314 176.653 176.300 0.065 0.000 1.224 295 D CA -0.095 53.940 54.000 0.059 0.000 0.879 295 D CB 0.246 41.051 40.800 0.007 0.000 1.057 295 D HN -0.294 8.163 8.370 0.145 0.000 0.491 296 D N 7.278 127.712 120.400 0.058 0.000 2.221 296 D HA -0.260 4.429 4.640 0.082 0.000 0.204 296 D C 1.841 178.164 176.300 0.038 0.000 0.982 296 D CA 3.196 57.232 54.000 0.059 0.000 0.857 296 D CB 0.074 40.903 40.800 0.047 0.000 0.934 296 D HN 0.385 8.783 8.370 0.048 0.000 0.475 297 T N -0.132 114.425 114.554 0.005 0.000 2.962 297 T HA -0.237 4.102 4.350 -0.018 0.000 0.270 297 T C 1.076 175.781 174.700 0.007 0.000 1.088 297 T CA 3.214 65.305 62.100 -0.014 0.000 1.127 297 T CB -0.005 68.837 68.868 -0.045 0.000 0.883 297 T HN -0.389 8.064 8.240 -0.004 -0.215 0.493 298 L N -0.384 120.841 121.223 0.003 0.000 2.640 298 L HA 0.307 4.654 4.340 0.011 0.000 0.230 298 L C 0.891 177.822 176.870 0.100 0.000 1.123 298 L CA -0.630 54.212 54.840 0.003 0.000 0.900 298 L CB -0.183 41.784 42.059 -0.152 0.000 1.146 298 L HN -0.395 7.686 8.230 0.008 0.153 0.484 299 E N 1.325 121.591 120.200 0.110 0.000 2.118 299 E HA -0.421 4.034 4.350 0.176 0.000 0.195 299 E C 0.484 177.174 176.600 0.150 0.000 0.992 299 E CA 3.694 60.180 56.400 0.144 0.000 0.804 299 E CB 0.061 29.832 29.700 0.119 0.000 0.741 299 E HN -0.647 7.710 8.360 0.091 0.057 0.458 300 R N -3.562 117.018 120.500 0.134 0.000 2.480 300 R HA 0.077 4.501 4.340 0.140 0.000 0.277 300 R C 0.863 177.239 176.300 0.128 0.000 1.008 300 R CA -0.362 55.818 56.100 0.134 0.000 1.090 300 R CB -0.769 29.608 30.300 0.129 0.000 1.234 300 R HN 0.133 8.478 8.270 0.125 0.000 0.549 301 A N -0.022 122.885 122.820 0.143 0.000 2.015 301 A HA -0.120 4.290 4.320 0.149 0.000 0.219 301 A C 0.799 178.431 177.584 0.080 0.000 1.163 301 A CA 2.347 54.477 52.037 0.154 0.000 0.646 301 A CB -0.409 18.765 19.000 0.290 0.000 0.806 301 A HN -0.439 7.736 8.150 0.157 0.070 0.448 302 G N -3.801 105.023 108.800 0.038 0.000 2.920 302 G HA2 -0.096 3.951 3.960 -0.127 0.000 0.208 302 G HA3 -0.096 3.821 3.960 -0.072 0.000 0.208 302 G C -0.639 174.271 174.900 0.018 0.000 1.159 302 G CA -0.484 44.588 45.100 -0.046 0.000 0.784 302 G HN 0.431 8.741 8.290 0.056 0.014 0.535 303 R N -1.108 119.437 120.500 0.074 0.000 2.608 303 R HA 0.673 5.269 4.340 0.115 -0.186 0.255 303 R C 0.166 176.518 176.300 0.087 0.000 1.086 303 R CA -1.651 54.510 56.100 0.101 0.000 1.125 303 R CB 1.789 32.161 30.300 0.120 0.000 1.193 303 R HN -0.532 7.612 8.270 0.083 0.176 0.553 304 I N 0.000 120.624 120.570 0.089 0.000 2.984 304 I HA 0.000 4.213 4.170 0.072 0.000 0.288 304 I CA 0.000 61.344 61.300 0.073 0.000 1.566 304 I CB 0.000 38.041 38.000 0.068 0.000 1.214 304 I HN 0.000 8.269 8.210 0.098 0.000 0.494