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 2w5a_1_A DATA FIRST_RESID 3 DATA SEQUENCE SRAEDYEVLY TIGTGSYGRC QKIRRKSDGK ILVWKELDYG SMTEAEKQML DATA SEQUENCE VSEVNLLREL KHPNIVRYYD RIIDRTNTTL YIVMEYCEGG DLASVITKGT DATA SEQUENCE KERQYLDEEF VLRVMTQLTL ALKECHRRSX XXXXXLHRDL KPANVFLDGK DATA SEQUENCE QNVKLGDFGL ARILXXXTSF AKTFVGTPYY MSPEQMNRMX YNEKSDIWSL DATA SEQUENCE GCLLYELCAL MPPFTAFSQK ELAGKIREGK FRRIPYRYSD ELNEIITRML DATA SEQUENCE NLKDYHRPSV EEILENPLIL EHHHHHH 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 3 S HA 0.000 4.470 4.470 0.000 0.000 0.327 3 S C 0.000 174.696 174.600 0.161 0.000 1.055 3 S CA 0.000 58.310 58.200 0.184 0.000 1.107 3 S CB 0.000 63.277 63.200 0.128 0.000 0.593 4 R N 0.536 121.146 120.500 0.184 0.000 2.686 4 R HA 0.693 5.012 4.340 -0.035 0.000 0.286 4 R C 1.099 177.533 176.300 0.223 0.000 0.969 4 R CA -0.184 56.006 56.100 0.150 0.000 0.898 4 R CB 1.168 31.523 30.300 0.093 0.000 1.183 4 R HN 0.151 8.421 8.270 0.000 0.000 0.456 5 A N 2.227 125.145 122.820 0.163 0.000 1.978 5 A HA -0.199 4.100 4.320 -0.035 0.000 0.220 5 A C 1.565 179.288 177.584 0.231 0.000 1.170 5 A CA 1.588 53.742 52.037 0.195 0.000 0.636 5 A CB -0.300 18.723 19.000 0.038 0.000 0.810 5 A HN 0.830 8.980 8.150 0.000 0.000 0.448 6 E N 0.112 120.390 120.200 0.130 0.000 2.478 6 E HA -0.151 4.179 4.350 -0.035 0.000 0.198 6 E C 0.099 176.713 176.600 0.023 0.000 1.046 6 E CA 0.967 57.410 56.400 0.072 0.000 0.870 6 E CB -0.431 29.293 29.700 0.040 0.000 0.818 6 E HN 0.533 8.893 8.360 0.000 0.000 0.527 7 D N -0.055 120.358 120.400 0.021 0.000 2.347 7 D HA 0.017 4.636 4.640 -0.035 0.000 0.215 7 D C -0.266 175.758 176.300 -0.460 0.000 0.976 7 D CA 0.662 54.529 54.000 -0.222 0.000 0.884 7 D CB 0.015 40.631 40.800 -0.307 0.000 0.915 7 D HN 0.233 8.603 8.370 0.000 0.000 0.526 8 Y N -0.215 120.051 120.300 -0.056 0.000 2.576 8 Y HA 0.357 4.886 4.550 -0.035 0.000 0.346 8 Y C 0.029 175.805 175.900 -0.208 0.000 1.018 8 Y CA -1.193 56.801 58.100 -0.177 0.000 1.050 8 Y CB 1.799 40.077 38.460 -0.304 0.000 1.280 8 Y HN -0.361 7.919 8.280 0.000 0.000 0.474 9 E N 1.329 121.465 120.200 -0.108 0.000 2.191 9 E HA 0.524 4.853 4.350 -0.035 0.000 0.263 9 E C -1.601 174.840 176.600 -0.264 0.000 0.881 9 E CA -0.724 55.590 56.400 -0.143 0.000 0.757 9 E CB 1.525 31.165 29.700 -0.100 0.000 1.147 9 E HN 0.499 8.859 8.360 0.000 0.000 0.414 10 V N 6.575 126.331 119.914 -0.264 0.000 2.529 10 V HA -0.029 4.070 4.120 -0.035 0.000 0.292 10 V C 1.333 177.315 176.094 -0.187 0.000 1.028 10 V CA 0.458 62.577 62.300 -0.302 0.000 1.074 10 V CB 0.733 32.477 31.823 -0.133 0.000 0.958 10 V HN 0.826 9.016 8.190 0.000 0.000 0.481 11 L N 5.152 126.227 121.223 -0.246 0.000 2.189 11 L HA 0.235 4.555 4.340 -0.035 0.000 0.199 11 L C 0.372 177.269 176.870 0.046 0.000 1.074 11 L CA 0.828 55.597 54.840 -0.118 0.000 0.783 11 L CB -0.036 41.911 42.059 -0.186 0.000 0.955 11 L HN 0.836 9.066 8.230 0.000 0.000 0.460 12 Y N -4.032 116.211 120.300 -0.096 0.000 2.774 12 Y HA 0.364 4.894 4.550 -0.034 0.000 0.346 12 Y C -0.838 175.047 175.900 -0.025 0.000 1.222 12 Y CA -1.491 56.582 58.100 -0.045 0.000 1.088 12 Y CB 0.364 38.802 38.460 -0.036 0.000 1.354 12 Y HN -0.348 7.932 8.280 0.000 0.000 0.455 13 T N 2.832 117.520 114.554 0.224 0.000 2.749 13 T HA 0.353 4.682 4.350 -0.035 0.000 0.295 13 T C 1.188 176.039 174.700 0.252 0.000 0.936 13 T CA -0.217 61.978 62.100 0.157 0.000 1.060 13 T CB 0.479 69.436 68.868 0.148 0.000 0.904 13 T HN 0.669 8.909 8.240 0.000 0.000 0.500 14 I N 1.902 122.559 120.570 0.146 0.000 2.233 14 I HA 0.195 4.344 4.170 -0.035 0.000 0.243 14 I C 1.495 177.721 176.117 0.181 0.000 1.093 14 I CA 0.655 62.080 61.300 0.209 0.000 1.380 14 I CB 0.019 38.110 38.000 0.151 0.000 1.067 14 I HN 0.716 8.926 8.210 0.000 0.000 0.413 15 G N -0.787 108.099 108.800 0.143 0.000 2.601 15 G HA2 0.387 4.326 3.960 -0.035 0.000 0.291 15 G HA3 0.387 4.326 3.960 -0.035 0.000 0.291 15 G C -1.241 173.721 174.900 0.103 0.000 1.456 15 G CA -0.458 44.714 45.100 0.120 0.000 0.804 15 G HN -0.193 8.097 8.290 0.000 0.000 0.499 16 T N 0.972 115.574 114.554 0.080 0.000 2.743 16 T HA 0.609 4.938 4.350 -0.035 0.000 0.292 16 T C 0.906 175.634 174.700 0.047 0.000 0.972 16 T CA 0.378 62.515 62.100 0.062 0.000 0.967 16 T CB 1.134 70.028 68.868 0.044 0.000 0.926 16 T HN 0.889 9.129 8.240 0.000 0.000 0.459 17 G N 1.385 110.218 108.800 0.055 0.000 2.535 17 G HA2 0.302 4.241 3.960 -0.035 0.000 0.282 17 G HA3 0.302 4.241 3.960 -0.035 0.000 0.282 17 G C 1.116 175.995 174.900 -0.035 0.000 1.350 17 G CA -0.674 44.450 45.100 0.040 0.000 1.039 17 G HN 0.606 8.896 8.290 0.000 0.000 0.509 18 S N -1.245 114.386 115.700 -0.114 0.000 2.423 18 S HA -0.055 4.394 4.470 -0.035 0.000 0.231 18 S C 1.180 175.432 174.600 -0.581 0.000 1.014 18 S CA 1.203 59.164 58.200 -0.400 0.000 0.965 18 S CB -0.249 62.584 63.200 -0.612 0.000 0.785 18 S HN 0.540 8.850 8.310 0.000 0.000 0.495 19 Y N 0.310 120.608 120.300 -0.003 0.000 2.527 19 Y HA 0.510 5.040 4.550 -0.033 0.000 0.247 19 Y C 1.066 176.956 175.900 -0.015 0.000 1.138 19 Y CA -0.118 57.977 58.100 -0.009 0.000 1.228 19 Y CB 0.867 39.321 38.460 -0.011 0.000 1.252 19 Y HN 0.263 8.543 8.280 0.000 0.000 0.531 20 G N 0.138 108.992 108.800 0.090 0.000 2.337 20 G HA2 0.211 4.150 3.960 -0.035 0.000 0.298 20 G HA3 0.211 4.150 3.960 -0.035 0.000 0.298 20 G C -1.504 173.437 174.900 0.068 0.000 1.335 20 G CA -1.409 43.723 45.100 0.054 0.000 0.875 20 G HN -0.056 8.234 8.290 0.000 0.000 0.579 21 R N -1.262 119.283 120.500 0.074 0.000 2.539 21 R HA 0.502 4.821 4.340 -0.035 0.000 0.275 21 R C -0.237 176.153 176.300 0.150 0.000 1.077 21 R CA -0.158 56.009 56.100 0.112 0.000 1.097 21 R CB 1.387 31.766 30.300 0.132 0.000 1.018 21 R HN 0.532 8.802 8.270 0.000 0.000 0.483 22 C N 3.455 122.844 119.300 0.147 0.000 2.281 22 C HA 0.317 4.756 4.460 -0.035 0.000 0.325 22 C C -0.583 174.485 174.990 0.130 0.000 1.282 22 C CA -0.339 58.774 59.018 0.158 0.000 1.640 22 C CB 0.146 27.961 27.740 0.125 0.000 2.288 22 C HN 0.705 8.935 8.230 0.000 0.000 0.507 23 Q N 3.937 123.819 119.800 0.137 0.000 2.353 23 Q HA 0.352 4.671 4.340 -0.035 0.000 0.268 23 Q C -0.982 174.840 176.000 -0.296 0.000 1.045 23 Q CA -0.556 55.219 55.803 -0.047 0.000 0.811 23 Q CB 2.379 31.146 28.738 0.049 0.000 1.305 23 Q HN 0.705 8.975 8.270 0.000 0.000 0.447 24 K N 3.643 123.732 120.400 -0.518 0.000 2.322 24 K HA 0.353 4.652 4.320 -0.035 0.000 0.283 24 K C -0.564 175.647 176.600 -0.647 0.000 1.042 24 K CA -0.055 55.824 56.287 -0.681 0.000 0.958 24 K CB 0.372 32.246 32.500 -1.043 0.000 0.984 24 K HN 0.649 8.899 8.250 0.000 0.000 0.473 25 I N 0.295 120.502 120.570 -0.605 0.000 2.934 25 I HA 0.554 4.703 4.170 -0.035 0.000 0.306 25 I C -1.220 174.673 176.117 -0.374 0.000 1.110 25 I CA -1.303 59.646 61.300 -0.586 0.000 1.019 25 I CB 2.174 39.618 38.000 -0.926 0.000 1.227 25 I HN 0.567 8.777 8.210 0.000 0.000 0.434 26 R N 3.190 123.531 120.500 -0.266 0.000 2.437 26 R HA 0.462 4.782 4.340 -0.035 0.000 0.310 26 R C -0.785 175.455 176.300 -0.100 0.000 0.955 26 R CA -0.811 55.189 56.100 -0.167 0.000 0.851 26 R CB 1.714 31.924 30.300 -0.150 0.000 1.161 26 R HN 0.820 9.090 8.270 0.000 0.000 0.446 27 R N 3.629 124.074 120.500 -0.090 0.000 2.316 27 R HA 0.077 4.397 4.340 -0.035 0.000 0.314 27 R C 0.487 176.655 176.300 -0.220 0.000 1.069 27 R CA 0.079 56.045 56.100 -0.224 0.000 0.959 27 R CB 0.777 30.966 30.300 -0.186 0.000 0.987 27 R HN 0.664 8.934 8.270 0.000 0.000 0.446 28 K N 1.367 121.606 120.400 -0.269 0.000 2.148 28 K HA -0.126 4.173 4.320 -0.035 0.000 0.204 28 K C 1.941 178.457 176.600 -0.139 0.000 1.050 28 K CA 1.702 57.886 56.287 -0.172 0.000 0.942 28 K CB 0.093 32.498 32.500 -0.159 0.000 0.724 28 K HN 0.705 8.955 8.250 0.000 0.000 0.446 29 S N 1.872 117.475 115.700 -0.161 0.000 2.370 29 S HA -0.171 4.278 4.470 -0.035 0.000 0.226 29 S C 1.368 175.922 174.600 -0.076 0.000 1.033 29 S CA 1.804 59.939 58.200 -0.108 0.000 1.011 29 S CB -0.208 62.928 63.200 -0.107 0.000 0.852 29 S HN 0.438 8.748 8.310 0.000 0.000 0.457 30 D N -1.572 118.781 120.400 -0.079 0.000 2.525 30 D HA 0.260 4.879 4.640 -0.035 0.000 0.231 30 D C 1.200 177.469 176.300 -0.052 0.000 1.216 30 D CA 0.422 54.392 54.000 -0.051 0.000 0.813 30 D CB -0.343 40.437 40.800 -0.032 0.000 1.108 30 D HN 0.651 9.021 8.370 0.000 0.000 0.524 31 G N 1.455 110.211 108.800 -0.073 0.000 2.148 31 G HA2 -0.357 3.582 3.960 -0.035 0.000 0.254 31 G HA3 -0.357 3.582 3.960 -0.035 0.000 0.254 31 G C 0.172 175.030 174.900 -0.070 0.000 0.981 31 G CA 0.350 45.408 45.100 -0.070 0.000 0.670 31 G HN 0.617 8.907 8.290 0.000 0.000 0.528 32 K N 0.668 121.024 120.400 -0.073 0.000 2.412 32 K HA 0.349 4.648 4.320 -0.035 0.000 0.281 32 K C 0.747 177.283 176.600 -0.107 0.000 1.027 32 K CA -0.576 55.666 56.287 -0.074 0.000 0.989 32 K CB 0.116 32.569 32.500 -0.078 0.000 0.935 32 K HN 0.077 8.327 8.250 0.000 0.000 0.475 33 I N 6.705 127.215 120.570 -0.101 0.000 2.371 33 I HA 0.195 4.344 4.170 -0.035 0.000 0.290 33 I C 0.283 176.306 176.117 -0.157 0.000 1.028 33 I CA -0.059 61.147 61.300 -0.156 0.000 1.345 33 I CB 0.223 38.132 38.000 -0.151 0.000 1.407 33 I HN 0.664 8.874 8.210 0.000 0.000 0.501 34 L N 6.210 127.294 121.223 -0.232 0.000 2.251 34 L HA 0.721 5.040 4.340 -0.035 0.000 0.244 34 L C -0.418 176.308 176.870 -0.241 0.000 1.095 34 L CA -1.028 53.681 54.840 -0.219 0.000 0.910 34 L CB 2.181 44.062 42.059 -0.296 0.000 1.516 34 L HN 0.395 8.625 8.230 0.000 0.000 0.429 35 V N -2.577 117.247 119.914 -0.151 0.000 3.046 35 V HA 0.757 4.856 4.120 -0.035 0.000 0.316 35 V C -1.775 174.288 176.094 -0.051 0.000 1.104 35 V CA -0.472 61.741 62.300 -0.144 0.000 1.006 35 V CB 1.950 33.767 31.823 -0.010 0.000 1.058 35 V HN 0.821 9.011 8.190 0.000 0.000 0.440 36 W N 0.937 122.168 121.300 -0.114 0.000 2.962 36 W HA 0.863 5.502 4.660 -0.035 0.000 0.341 36 W C -1.294 175.240 176.519 0.025 0.000 1.155 36 W CA -2.281 55.029 57.345 -0.058 0.000 1.165 36 W CB 1.016 30.422 29.460 -0.089 0.000 1.435 36 W HN 0.663 8.843 8.180 0.000 0.000 0.546 37 K N 1.990 122.570 120.400 0.301 0.000 2.292 37 K HA 0.321 4.620 4.320 -0.035 0.000 0.257 37 K C -0.546 176.054 176.600 -0.001 0.000 0.940 37 K CA -0.792 55.592 56.287 0.162 0.000 0.811 37 K CB 2.530 35.101 32.500 0.118 0.000 1.120 37 K HN 0.483 8.733 8.250 0.000 0.000 0.428 38 E N 2.578 122.745 120.200 -0.055 0.000 2.313 38 E HA 0.217 4.546 4.350 -0.035 0.000 0.276 38 E C -0.867 175.629 176.600 -0.175 0.000 1.031 38 E CA -0.470 55.759 56.400 -0.285 0.000 0.857 38 E CB 1.071 30.634 29.700 -0.227 0.000 1.040 38 E HN 0.122 8.482 8.360 0.000 0.000 0.408 39 L N 3.938 125.019 121.223 -0.238 0.000 2.441 39 L HA 0.297 4.616 4.340 -0.035 0.000 0.270 39 L C -1.274 175.540 176.870 -0.094 0.000 0.973 39 L CA -0.598 54.185 54.840 -0.096 0.000 0.842 39 L CB 1.679 43.710 42.059 -0.047 0.000 1.239 39 L HN 0.510 8.740 8.230 0.000 0.000 0.406 40 D N 4.179 124.534 120.400 -0.076 0.000 2.325 40 D HA 0.108 4.727 4.640 -0.035 0.000 0.251 40 D C 0.255 176.525 176.300 -0.050 0.000 1.196 40 D CA 0.040 53.965 54.000 -0.126 0.000 0.866 40 D CB 0.597 41.330 40.800 -0.112 0.000 1.101 40 D HN 0.501 8.871 8.370 0.000 0.000 0.476 41 Y N 1.592 121.849 120.300 -0.073 0.000 2.524 41 Y HA 0.436 4.966 4.550 -0.033 0.000 0.266 41 Y C 1.685 177.564 175.900 -0.036 0.000 1.180 41 Y CA -0.493 57.576 58.100 -0.051 0.000 1.244 41 Y CB 0.071 38.498 38.460 -0.055 0.000 1.125 41 Y HN 0.280 8.560 8.280 0.000 0.000 0.524 42 G N 0.369 109.005 108.800 -0.273 0.000 2.448 42 G HA2 -0.196 3.743 3.960 -0.035 0.000 0.219 42 G HA3 -0.196 3.743 3.960 -0.035 0.000 0.219 42 G C 1.351 176.218 174.900 -0.055 0.000 1.127 42 G CA 1.048 46.024 45.100 -0.206 0.000 0.766 42 G HN 0.425 8.715 8.290 0.000 0.000 0.552 43 S N 0.200 115.888 115.700 -0.021 0.000 2.577 43 S HA 0.355 4.804 4.470 -0.035 0.000 0.219 43 S C 0.771 175.387 174.600 0.027 0.000 0.962 43 S CA -0.276 57.926 58.200 0.003 0.000 0.921 43 S CB 0.063 63.264 63.200 0.001 0.000 0.789 43 S HN 0.278 8.588 8.310 0.000 0.000 0.497 44 M N 2.357 121.991 119.600 0.056 0.000 2.250 44 M HA 0.196 4.655 4.480 -0.035 0.000 0.344 44 M C 0.814 177.145 176.300 0.051 0.000 1.150 44 M CA -0.294 55.042 55.300 0.060 0.000 1.147 44 M CB 0.867 33.520 32.600 0.087 0.000 1.498 44 M HN 0.144 8.434 8.290 0.000 0.000 0.461 45 T N -1.709 112.863 114.554 0.031 0.000 2.816 45 T HA 0.194 4.523 4.350 -0.035 0.000 0.282 45 T C 0.850 175.560 174.700 0.017 0.000 0.993 45 T CA -0.670 61.442 62.100 0.021 0.000 0.994 45 T CB 0.882 69.757 68.868 0.011 0.000 1.025 45 T HN 0.717 8.957 8.240 0.000 0.000 0.529 46 E N 0.582 120.788 120.200 0.011 0.000 2.118 46 E HA -0.158 4.171 4.350 -0.035 0.000 0.195 46 E C 2.445 179.040 176.600 -0.008 0.000 0.992 46 E CA 1.204 57.604 56.400 0.001 0.000 0.804 46 E CB -0.424 29.276 29.700 -0.001 0.000 0.741 46 E HN 0.797 9.157 8.360 0.000 0.000 0.458 47 A N 1.401 124.218 122.820 -0.005 0.000 1.933 47 A HA -0.233 4.066 4.320 -0.035 0.000 0.218 47 A C 1.911 179.488 177.584 -0.011 0.000 1.175 47 A CA 1.443 53.474 52.037 -0.009 0.000 0.628 47 A CB -0.341 18.656 19.000 -0.006 0.000 0.814 47 A HN 0.170 8.320 8.150 0.000 0.000 0.444 48 E N -0.223 119.974 120.200 -0.005 0.000 2.072 48 E HA -0.151 4.178 4.350 -0.035 0.000 0.191 48 E C 2.020 178.609 176.600 -0.017 0.000 0.985 48 E CA 1.198 57.594 56.400 -0.006 0.000 0.801 48 E CB -0.124 29.579 29.700 0.005 0.000 0.750 48 E HN 0.563 8.923 8.360 0.000 0.000 0.452 49 K N 0.542 120.930 120.400 -0.021 0.000 2.097 49 K HA -0.197 4.103 4.320 -0.035 0.000 0.206 49 K C 2.246 178.809 176.600 -0.062 0.000 1.049 49 K CA 1.075 57.328 56.287 -0.055 0.000 0.933 49 K CB -0.028 32.429 32.500 -0.072 0.000 0.717 49 K HN -0.055 8.195 8.250 0.000 0.000 0.442 50 Q N 1.053 120.827 119.800 -0.044 0.000 2.124 50 Q HA -0.064 4.255 4.340 -0.035 0.000 0.202 50 Q C 1.859 177.836 176.000 -0.038 0.000 0.977 50 Q CA 1.624 57.403 55.803 -0.041 0.000 0.850 50 Q CB -0.029 28.691 28.738 -0.030 0.000 0.901 50 Q HN 0.264 8.534 8.270 0.000 0.000 0.429 51 M N -0.658 118.923 119.600 -0.031 0.000 2.117 51 M HA -0.165 4.295 4.480 -0.035 0.000 0.262 51 M C 2.016 178.295 176.300 -0.035 0.000 1.065 51 M CA 1.286 56.569 55.300 -0.027 0.000 1.114 51 M CB -0.355 32.233 32.600 -0.020 0.000 1.361 51 M HN 0.241 8.531 8.290 0.000 0.000 0.408 52 L N -0.566 120.631 121.223 -0.044 0.000 2.012 52 L HA -0.224 4.095 4.340 -0.035 0.000 0.210 52 L C 2.498 179.333 176.870 -0.058 0.000 1.073 52 L CA 1.135 55.944 54.840 -0.052 0.000 0.748 52 L CB -0.886 41.133 42.059 -0.066 0.000 0.891 52 L HN 0.143 8.373 8.230 0.000 0.000 0.431 53 V N -0.544 119.331 119.914 -0.065 0.000 2.287 53 V HA -0.318 3.781 4.120 -0.035 0.000 0.248 53 V C 2.591 178.649 176.094 -0.059 0.000 1.053 53 V CA 2.240 64.502 62.300 -0.064 0.000 1.027 53 V CB -0.487 31.299 31.823 -0.062 0.000 0.646 53 V HN 0.410 8.600 8.190 0.000 0.000 0.447 54 S N -0.746 114.924 115.700 -0.050 0.000 2.382 54 S HA -0.171 4.278 4.470 -0.035 0.000 0.228 54 S C 1.916 176.485 174.600 -0.052 0.000 1.027 54 S CA 1.200 59.371 58.200 -0.048 0.000 0.991 54 S CB -0.261 62.917 63.200 -0.037 0.000 0.823 54 S HN 0.611 8.921 8.310 0.000 0.000 0.469 55 E N 0.845 121.018 120.200 -0.045 0.000 2.112 55 E HA 0.009 4.338 4.350 -0.035 0.000 0.190 55 E C 2.284 178.844 176.600 -0.066 0.000 0.979 55 E CA 0.530 56.907 56.400 -0.038 0.000 0.814 55 E CB -0.494 29.197 29.700 -0.016 0.000 0.762 55 E HN 0.333 8.693 8.360 0.000 0.000 0.460 56 V N 2.677 122.541 119.914 -0.083 0.000 2.343 56 V HA -0.240 3.859 4.120 -0.035 0.000 0.247 56 V C 1.884 177.832 176.094 -0.244 0.000 1.051 56 V CA 1.625 63.841 62.300 -0.140 0.000 1.036 56 V CB -0.541 31.227 31.823 -0.091 0.000 0.654 56 V HN 0.196 8.386 8.190 0.000 0.000 0.451 57 N N 0.161 118.762 118.700 -0.166 0.000 2.223 57 N HA -0.081 4.638 4.740 -0.035 0.000 0.185 57 N C 1.734 177.149 175.510 -0.157 0.000 1.016 57 N CA 1.225 54.176 53.050 -0.164 0.000 0.863 57 N CB -0.357 38.072 38.487 -0.096 0.000 0.983 57 N HN 0.406 8.786 8.380 0.000 0.000 0.429 58 L N -0.006 121.144 121.223 -0.121 0.000 2.109 58 L HA -0.071 4.248 4.340 -0.035 0.000 0.207 58 L C 2.171 178.977 176.870 -0.106 0.000 1.086 58 L CA 0.368 55.153 54.840 -0.091 0.000 0.760 58 L CB -0.336 41.687 42.059 -0.059 0.000 0.910 58 L HN 0.104 8.334 8.230 0.000 0.000 0.437 59 L N 0.280 121.418 121.223 -0.141 0.000 2.042 59 L HA -0.222 4.097 4.340 -0.035 0.000 0.210 59 L C 2.705 179.436 176.870 -0.231 0.000 1.076 59 L CA 1.719 56.473 54.840 -0.143 0.000 0.749 59 L CB -0.551 41.420 42.059 -0.146 0.000 0.893 59 L HN 0.139 8.369 8.230 0.000 0.000 0.432 60 R N -0.576 119.656 120.500 -0.447 0.000 2.189 60 R HA -0.144 4.175 4.340 -0.035 0.000 0.223 60 R C 1.949 178.174 176.300 -0.126 0.000 1.092 60 R CA 1.448 57.294 56.100 -0.423 0.000 0.989 60 R CB -0.100 29.900 30.300 -0.500 0.000 0.876 60 R HN 0.548 8.818 8.270 0.000 0.000 0.457 61 E N 0.061 120.197 120.200 -0.106 0.000 2.216 61 E HA -0.037 4.292 4.350 -0.035 0.000 0.192 61 E C 0.070 176.657 176.600 -0.022 0.000 0.988 61 E CA 0.195 56.564 56.400 -0.051 0.000 0.834 61 E CB 0.161 29.831 29.700 -0.050 0.000 0.772 61 E HN 0.289 8.649 8.360 0.000 0.000 0.479 62 L N 2.617 123.831 121.223 -0.015 0.000 2.454 62 L HA 0.100 4.419 4.340 -0.035 0.000 0.284 62 L C -0.367 176.526 176.870 0.037 0.000 1.139 62 L CA 0.229 55.078 54.840 0.015 0.000 0.911 62 L CB 0.099 42.169 42.059 0.019 0.000 1.262 62 L HN -0.155 8.075 8.230 0.000 0.000 0.453 63 K N 3.413 123.836 120.400 0.040 0.000 2.425 63 K HA 0.483 4.782 4.320 -0.035 0.000 0.259 63 K C -0.887 175.755 176.600 0.069 0.000 0.978 63 K CA -0.677 55.627 56.287 0.028 0.000 0.883 63 K CB 1.569 34.062 32.500 -0.012 0.000 1.110 63 K HN 0.372 8.622 8.250 0.000 0.000 0.436 64 H N 3.417 122.451 119.070 -0.060 0.000 3.085 64 H HA 0.137 4.672 4.556 -0.035 0.000 0.356 64 H C -2.369 172.885 175.328 -0.123 0.000 1.178 64 H CA -1.673 54.328 56.048 -0.079 0.000 1.214 64 H CB 2.452 32.188 29.762 -0.042 0.000 1.881 64 H HN 0.291 8.571 8.280 0.000 0.000 0.538 65 P HA -0.053 4.367 4.420 0.000 0.000 0.222 65 P C 0.001 177.280 177.300 -0.035 0.000 1.147 65 P CA 1.061 63.897 63.100 -0.441 0.000 0.790 65 P CB 0.391 31.446 31.700 -1.075 0.000 0.780 66 N N -0.785 118.073 118.700 0.263 0.000 2.238 66 N HA 0.243 4.962 4.740 -0.035 0.000 0.222 66 N C 0.001 175.633 175.510 0.203 0.000 1.133 66 N CA -0.140 53.072 53.050 0.270 0.000 0.854 66 N CB 0.312 38.967 38.487 0.279 0.000 1.041 66 N HN 0.145 8.525 8.380 0.000 0.000 0.510 67 I N 0.938 121.625 120.570 0.195 0.000 2.436 67 I HA 0.243 4.393 4.170 -0.035 0.000 0.289 67 I C -0.134 176.060 176.117 0.129 0.000 1.010 67 I CA -1.169 60.211 61.300 0.133 0.000 1.098 67 I CB 2.268 40.326 38.000 0.095 0.000 1.266 67 I HN -0.232 7.978 8.210 0.000 0.000 0.434 68 V N 6.329 126.321 119.914 0.131 0.000 2.584 68 V HA -0.043 4.056 4.120 -0.035 0.000 0.303 68 V C 0.793 176.961 176.094 0.123 0.000 1.035 68 V CA 0.277 62.642 62.300 0.108 0.000 1.172 68 V CB 0.043 31.895 31.823 0.048 0.000 0.896 68 V HN 0.696 8.886 8.190 0.000 0.000 0.486 69 R N 4.320 124.902 120.500 0.137 0.000 2.308 69 R HA 0.228 4.548 4.340 -0.035 0.000 0.305 69 R C -0.614 175.791 176.300 0.176 0.000 1.053 69 R CA -0.600 55.568 56.100 0.113 0.000 0.957 69 R CB 0.539 30.863 30.300 0.039 0.000 1.022 69 R HN 0.717 8.987 8.270 0.000 0.000 0.461 70 Y N 4.320 124.628 120.300 0.013 0.000 2.359 70 Y HA 0.047 4.579 4.550 -0.031 0.000 0.330 70 Y C -0.573 175.310 175.900 -0.029 0.000 1.143 70 Y CA 0.309 58.444 58.100 0.058 0.000 1.318 70 Y CB 0.675 39.153 38.460 0.031 0.000 1.234 70 Y HN 0.685 8.965 8.280 0.000 0.000 0.522 71 Y N 1.541 121.412 120.300 -0.714 0.000 2.664 71 Y HA 0.244 4.774 4.550 -0.033 0.000 0.278 71 Y C 0.085 175.613 175.900 -0.620 0.000 1.130 71 Y CA 0.297 58.115 58.100 -0.469 0.000 1.260 71 Y CB 0.756 39.102 38.460 -0.191 0.000 1.369 71 Y HN 0.596 8.876 8.280 0.000 0.000 0.499 72 D N -1.020 118.937 120.400 -0.738 0.000 2.653 72 D HA 0.295 4.914 4.640 -0.035 0.000 0.258 72 D C -1.560 174.675 176.300 -0.109 0.000 1.252 72 D CA -0.757 53.101 54.000 -0.236 0.000 0.777 72 D CB 1.317 42.153 40.800 0.060 0.000 1.339 72 D HN 0.087 8.457 8.370 0.000 0.000 0.422 73 R N 1.552 122.126 120.500 0.123 0.000 2.574 73 R HA 0.715 5.034 4.340 -0.035 0.000 0.288 73 R C -1.201 175.174 176.300 0.126 0.000 1.004 73 R CA -0.775 55.422 56.100 0.161 0.000 0.895 73 R CB 1.026 31.464 30.300 0.231 0.000 1.191 73 R HN 0.368 8.638 8.270 0.000 0.000 0.444 74 I N 4.294 124.930 120.570 0.110 0.000 2.498 74 I HA 0.409 4.558 4.170 -0.035 0.000 0.290 74 I C -0.202 175.996 176.117 0.135 0.000 1.032 74 I CA -1.176 60.194 61.300 0.116 0.000 1.073 74 I CB 2.343 40.387 38.000 0.072 0.000 1.251 74 I HN 0.524 8.734 8.210 0.000 0.000 0.426 75 I N 4.855 125.495 120.570 0.116 0.000 2.321 75 I HA 0.195 4.344 4.170 -0.035 0.000 0.291 75 I C -0.288 175.925 176.117 0.160 0.000 0.998 75 I CA -0.239 61.140 61.300 0.132 0.000 1.227 75 I CB 1.212 39.259 38.000 0.078 0.000 1.368 75 I HN 0.515 8.725 8.210 0.000 0.000 0.466 76 D N 6.640 127.160 120.400 0.199 0.000 2.518 76 D HA 0.222 4.841 4.640 -0.035 0.000 0.230 76 D C 1.299 177.674 176.300 0.125 0.000 1.138 76 D CA -0.105 53.992 54.000 0.162 0.000 0.964 76 D CB 0.817 41.751 40.800 0.223 0.000 1.011 76 D HN 0.637 9.007 8.370 0.000 0.000 0.517 77 R N 1.706 122.285 120.500 0.131 0.000 2.127 77 R HA -0.131 4.188 4.340 -0.035 0.000 0.238 77 R C 1.983 178.311 176.300 0.048 0.000 1.134 77 R CA 2.024 58.202 56.100 0.131 0.000 0.975 77 R CB -1.555 28.814 30.300 0.114 0.000 0.865 77 R HN 0.416 8.686 8.270 0.000 0.000 0.447 78 T N -0.400 114.177 114.554 0.038 0.000 2.833 78 T HA -0.060 4.269 4.350 -0.035 0.000 0.269 78 T C 1.828 176.516 174.700 -0.019 0.000 1.054 78 T CA 1.645 63.754 62.100 0.014 0.000 1.135 78 T CB -0.323 68.561 68.868 0.026 0.000 0.869 78 T HN 0.846 9.086 8.240 0.000 0.000 0.466 79 N N 0.622 119.301 118.700 -0.035 0.000 2.235 79 N HA 0.272 4.991 4.740 -0.035 0.000 0.231 79 N C 0.854 176.240 175.510 -0.207 0.000 1.177 79 N CA 0.542 53.541 53.050 -0.084 0.000 0.874 79 N CB -0.322 38.141 38.487 -0.040 0.000 1.097 79 N HN 0.448 8.828 8.380 0.000 0.000 0.518 80 T N -2.248 112.135 114.554 -0.284 0.000 3.622 80 T HA -0.194 4.135 4.350 -0.035 0.000 0.380 80 T C -0.044 174.135 174.700 -0.868 0.000 0.764 80 T CA 1.164 62.790 62.100 -0.791 0.000 1.908 80 T CB -2.780 65.575 68.868 -0.855 0.000 1.771 80 T HN 0.483 8.723 8.240 0.000 0.000 0.706 81 T N 2.019 116.378 114.554 -0.325 0.000 2.807 81 T HA 0.652 4.981 4.350 -0.035 0.000 0.279 81 T C -0.245 174.391 174.700 -0.107 0.000 0.993 81 T CA -0.874 61.050 62.100 -0.294 0.000 0.970 81 T CB 1.620 70.204 68.868 -0.473 0.000 0.950 81 T HN 0.515 8.755 8.240 0.000 0.000 0.441 82 L N 4.402 125.568 121.223 -0.093 0.000 2.282 82 L HA 0.558 4.877 4.340 -0.035 0.000 0.288 82 L C -1.619 175.029 176.870 -0.370 0.000 1.033 82 L CA -0.565 54.218 54.840 -0.095 0.000 0.807 82 L CB 0.310 42.370 42.059 0.001 0.000 1.209 82 L HN 0.577 8.807 8.230 0.000 0.000 0.423 83 Y N 5.653 125.818 120.300 -0.225 0.000 2.331 83 Y HA 0.543 5.072 4.550 -0.035 0.000 0.338 83 Y C -0.306 175.507 175.900 -0.145 0.000 0.976 83 Y CA -0.603 57.271 58.100 -0.377 0.000 1.137 83 Y CB 1.178 39.092 38.460 -0.911 0.000 1.172 83 Y HN 0.407 8.687 8.280 0.000 0.000 0.478 84 I N 4.187 124.805 120.570 0.081 0.000 2.312 84 I HA 0.254 4.403 4.170 -0.035 0.000 0.290 84 I C -0.480 175.724 176.117 0.144 0.000 1.008 84 I CA -0.447 60.939 61.300 0.143 0.000 1.226 84 I CB 0.971 39.078 38.000 0.179 0.000 1.371 84 I HN 0.275 8.485 8.210 0.000 0.000 0.468 85 V N 7.405 127.345 119.914 0.044 0.000 2.432 85 V HA 0.496 4.595 4.120 -0.035 0.000 0.275 85 V C 0.349 176.434 176.094 -0.015 0.000 1.043 85 V CA -0.286 62.010 62.300 -0.006 0.000 0.925 85 V CB 0.970 32.711 31.823 -0.136 0.000 0.985 85 V HN 0.589 8.779 8.190 0.000 0.000 0.466 86 M N 2.495 122.117 119.600 0.037 0.000 2.691 86 M HA 0.474 4.933 4.480 -0.035 0.000 0.293 86 M C -0.176 176.171 176.300 0.079 0.000 1.259 86 M CA -0.776 54.599 55.300 0.125 0.000 0.827 86 M CB 1.815 34.475 32.600 0.100 0.000 1.753 86 M HN 0.744 9.034 8.290 0.000 0.000 0.465 87 E N 1.131 121.454 120.200 0.205 0.000 2.452 87 E HA -0.047 4.282 4.350 -0.035 0.000 0.261 87 E C -1.637 175.001 176.600 0.065 0.000 0.987 87 E CA 0.139 56.625 56.400 0.143 0.000 0.926 87 E CB 0.596 30.436 29.700 0.235 0.000 0.934 87 E HN 0.460 8.820 8.360 0.000 0.000 0.452 88 Y N 4.698 124.954 120.300 -0.073 0.000 2.313 88 Y HA 0.279 4.808 4.550 -0.035 0.000 0.332 88 Y C -0.938 174.951 175.900 -0.018 0.000 1.071 88 Y CA -1.209 56.845 58.100 -0.076 0.000 1.169 88 Y CB 0.768 39.171 38.460 -0.095 0.000 1.192 88 Y HN 0.478 8.758 8.280 0.000 0.000 0.487 89 C N 7.830 126.752 119.300 -0.629 0.000 2.250 89 C HA 0.183 4.622 4.460 -0.035 0.000 0.319 89 C C 1.281 175.841 174.990 -0.716 0.000 1.124 89 C CA -0.471 58.262 59.018 -0.474 0.000 1.527 89 C CB -0.920 26.744 27.740 -0.126 0.000 2.001 89 C HN 0.992 9.222 8.230 0.000 0.000 0.435 90 E N 1.543 121.294 120.200 -0.748 0.000 2.265 90 E HA -0.102 4.227 4.350 -0.035 0.000 0.196 90 E C 1.770 178.302 176.600 -0.113 0.000 0.996 90 E CA 1.428 57.543 56.400 -0.475 0.000 0.832 90 E CB 0.029 29.664 29.700 -0.108 0.000 0.756 90 E HN 0.766 9.126 8.360 0.000 0.000 0.491 91 G N 0.598 109.363 108.800 -0.058 0.000 2.813 91 G HA2 0.289 4.228 3.960 -0.035 0.000 0.209 91 G HA3 0.289 4.228 3.960 -0.035 0.000 0.209 91 G C 0.855 175.795 174.900 0.067 0.000 1.150 91 G CA 0.112 45.228 45.100 0.027 0.000 0.785 91 G HN 0.631 8.921 8.290 0.000 0.000 0.535 92 G N 0.650 109.510 108.800 0.101 0.000 2.645 92 G HA2 -0.195 3.744 3.960 -0.035 0.000 0.239 92 G HA3 -0.195 3.744 3.960 -0.035 0.000 0.239 92 G C -0.228 174.773 174.900 0.169 0.000 1.331 92 G CA 0.029 45.246 45.100 0.194 0.000 0.890 92 G HN 0.765 9.055 8.290 0.000 0.000 0.572 93 D N -0.397 120.004 120.400 0.002 0.000 2.332 93 D HA 0.425 5.044 4.640 -0.035 0.000 0.252 93 D C 1.715 177.919 176.300 -0.160 0.000 1.050 93 D CA -0.676 53.118 54.000 -0.344 0.000 0.970 93 D CB 1.277 41.796 40.800 -0.469 0.000 1.141 93 D HN 0.388 8.758 8.370 0.000 0.000 0.485 94 L N 0.438 121.553 121.223 -0.179 0.000 2.291 94 L HA -0.069 4.250 4.340 -0.035 0.000 0.214 94 L C 2.599 179.451 176.870 -0.031 0.000 1.120 94 L CA 0.940 55.758 54.840 -0.037 0.000 0.799 94 L CB -0.447 41.610 42.059 -0.004 0.000 0.925 94 L HN 0.568 8.798 8.230 0.000 0.000 0.446 95 A N -0.209 122.567 122.820 -0.073 0.000 1.902 95 A HA -0.183 4.117 4.320 -0.035 0.000 0.217 95 A C 2.516 180.082 177.584 -0.030 0.000 1.181 95 A CA 2.037 54.045 52.037 -0.048 0.000 0.623 95 A CB -0.477 18.486 19.000 -0.062 0.000 0.818 95 A HN 0.360 8.510 8.150 0.000 0.000 0.443 96 S N -0.465 115.218 115.700 -0.029 0.000 2.382 96 S HA -0.113 4.336 4.470 -0.035 0.000 0.228 96 S C 1.859 176.449 174.600 -0.016 0.000 1.027 96 S CA 1.326 59.518 58.200 -0.013 0.000 0.991 96 S CB -0.399 62.802 63.200 0.002 0.000 0.823 96 S HN 0.346 8.656 8.310 0.000 0.000 0.469 97 V N 1.952 121.856 119.914 -0.016 0.000 2.343 97 V HA -0.161 3.938 4.120 -0.035 0.000 0.247 97 V C 2.025 178.107 176.094 -0.021 0.000 1.051 97 V CA 1.509 63.791 62.300 -0.030 0.000 1.036 97 V CB -0.605 31.207 31.823 -0.017 0.000 0.654 97 V HN 0.444 8.634 8.190 0.000 0.000 0.451 98 I N -0.263 120.308 120.570 0.002 0.000 2.252 98 I HA -0.224 3.925 4.170 -0.035 0.000 0.245 98 I C 2.551 178.663 176.117 -0.009 0.000 1.102 98 I CA 1.788 63.093 61.300 0.008 0.000 1.385 98 I CB -0.602 37.405 38.000 0.012 0.000 1.064 98 I HN 0.286 8.496 8.210 0.000 0.000 0.414 99 T N 0.465 115.010 114.554 -0.015 0.000 2.720 99 T HA -0.253 4.077 4.350 -0.035 0.000 0.268 99 T C 1.936 176.622 174.700 -0.024 0.000 1.037 99 T CA 1.542 63.630 62.100 -0.019 0.000 1.144 99 T CB -0.193 68.665 68.868 -0.015 0.000 0.864 99 T HN 0.293 8.533 8.240 0.000 0.000 0.444 100 K N 0.506 120.890 120.400 -0.027 0.000 2.057 100 K HA -0.093 4.206 4.320 -0.035 0.000 0.207 100 K C 2.531 179.104 176.600 -0.045 0.000 1.049 100 K CA 1.504 57.770 56.287 -0.035 0.000 0.931 100 K CB -0.591 31.885 32.500 -0.041 0.000 0.714 100 K HN 0.354 8.604 8.250 0.000 0.000 0.440 101 G N -0.043 108.731 108.800 -0.043 0.000 2.440 101 G HA2 -0.240 3.700 3.960 -0.035 0.000 0.218 101 G HA3 -0.240 3.700 3.960 -0.035 0.000 0.218 101 G C 1.400 176.254 174.900 -0.076 0.000 1.154 101 G CA 1.429 46.499 45.100 -0.050 0.000 0.767 101 G HN 0.357 8.647 8.290 0.000 0.000 0.552 102 T N 0.210 114.729 114.554 -0.057 0.000 2.737 102 T HA -0.104 4.225 4.350 -0.035 0.000 0.265 102 T C 2.411 177.071 174.700 -0.067 0.000 1.038 102 T CA 1.643 63.703 62.100 -0.067 0.000 1.144 102 T CB -0.176 68.669 68.868 -0.039 0.000 0.866 102 T HN 0.323 8.563 8.240 0.000 0.000 0.434 103 K N 1.360 121.730 120.400 -0.049 0.000 2.025 103 K HA -0.040 4.259 4.320 -0.035 0.000 0.207 103 K C 2.010 178.580 176.600 -0.051 0.000 1.049 103 K CA 1.251 57.512 56.287 -0.042 0.000 0.933 103 K CB -0.509 31.973 32.500 -0.031 0.000 0.714 103 K HN 0.635 8.885 8.250 0.000 0.000 0.438 104 E N -0.186 119.979 120.200 -0.057 0.000 2.494 104 E HA 0.126 4.455 4.350 -0.035 0.000 0.193 104 E C -0.066 176.485 176.600 -0.081 0.000 1.074 104 E CA -0.087 56.278 56.400 -0.059 0.000 0.867 104 E CB -0.007 29.661 29.700 -0.053 0.000 0.924 104 E HN 0.318 8.678 8.360 0.000 0.000 0.502 105 R N 1.137 121.573 120.500 -0.107 0.000 3.322 105 R HA -0.214 4.105 4.340 -0.035 0.000 0.253 105 R C -0.707 175.476 176.300 -0.195 0.000 0.987 105 R CA 0.581 56.585 56.100 -0.159 0.000 0.666 105 R CB -1.737 28.489 30.300 -0.122 0.000 1.072 105 R HN 0.296 8.566 8.270 0.000 0.000 0.447 106 Q N 0.216 119.906 119.800 -0.183 0.000 2.290 106 Q HA 0.295 4.614 4.340 -0.035 0.000 0.269 106 Q C -0.899 175.043 176.000 -0.097 0.000 1.016 106 Q CA -0.645 55.076 55.803 -0.138 0.000 0.754 106 Q CB 1.516 30.211 28.738 -0.071 0.000 1.247 106 Q HN 0.194 8.464 8.270 0.000 0.000 0.451 107 Y N 1.475 121.772 120.300 -0.005 0.000 2.457 107 Y HA 0.110 4.639 4.550 -0.035 0.000 0.341 107 Y C 0.567 176.497 175.900 0.049 0.000 1.240 107 Y CA -0.413 57.709 58.100 0.037 0.000 1.437 107 Y CB 0.686 39.168 38.460 0.037 0.000 1.328 107 Y HN 0.372 8.652 8.280 0.000 0.000 0.588 108 L N 2.525 123.938 121.223 0.315 0.000 2.395 108 L HA 0.140 4.459 4.340 -0.035 0.000 0.269 108 L C -0.231 176.806 176.870 0.278 0.000 1.133 108 L CA -0.825 54.140 54.840 0.208 0.000 0.812 108 L CB 0.269 42.454 42.059 0.210 0.000 1.125 108 L HN 0.564 8.794 8.230 0.000 0.000 0.452 109 D N 1.278 121.799 120.400 0.201 0.000 2.455 109 D HA -0.068 4.551 4.640 -0.035 0.000 0.241 109 D C 0.920 177.405 176.300 0.309 0.000 1.138 109 D CA 0.203 54.328 54.000 0.207 0.000 0.877 109 D CB 0.991 41.892 40.800 0.169 0.000 1.187 109 D HN 0.580 8.950 8.370 0.000 0.000 0.451 110 E N 1.633 122.003 120.200 0.285 0.000 2.130 110 E HA -0.242 4.088 4.350 -0.035 0.000 0.196 110 E C 1.121 177.824 176.600 0.172 0.000 0.998 110 E CA 1.164 57.731 56.400 0.278 0.000 0.806 110 E CB 0.268 30.107 29.700 0.232 0.000 0.738 110 E HN 0.345 8.705 8.360 0.000 0.000 0.459 111 E N -0.112 120.211 120.200 0.205 0.000 2.118 111 E HA -0.198 4.132 4.350 -0.035 0.000 0.195 111 E C 1.830 178.562 176.600 0.221 0.000 0.992 111 E CA 0.908 57.454 56.400 0.244 0.000 0.804 111 E CB -0.356 29.513 29.700 0.282 0.000 0.741 111 E HN 0.376 8.736 8.360 0.000 0.000 0.458 112 F N 1.370 121.375 119.950 0.091 0.000 2.146 112 F HA -0.185 4.322 4.527 -0.034 0.000 0.298 112 F C 2.230 178.032 175.800 0.003 0.000 1.096 112 F CA 0.920 58.954 58.000 0.057 0.000 1.275 112 F CB -0.278 38.754 39.000 0.054 0.000 1.008 112 F HN -0.220 8.080 8.300 0.000 0.000 0.480 113 V N 0.998 120.889 119.914 -0.039 0.000 2.332 113 V HA -0.321 3.778 4.120 -0.035 0.000 0.248 113 V C 2.518 178.441 176.094 -0.285 0.000 1.055 113 V CA 1.992 64.164 62.300 -0.214 0.000 1.038 113 V CB -0.860 30.864 31.823 -0.164 0.000 0.651 113 V HN 0.390 8.580 8.190 0.000 0.000 0.450 114 L N -0.707 120.363 121.223 -0.255 0.000 2.083 114 L HA -0.156 4.163 4.340 -0.035 0.000 0.209 114 L C 2.804 179.433 176.870 -0.400 0.000 1.083 114 L CA 1.504 56.090 54.840 -0.424 0.000 0.752 114 L CB -0.616 40.997 42.059 -0.743 0.000 0.899 114 L HN 0.253 8.483 8.230 0.000 0.000 0.433 115 R N -0.423 119.926 120.500 -0.252 0.000 2.073 115 R HA -0.130 4.189 4.340 -0.035 0.000 0.234 115 R C 2.271 178.417 176.300 -0.257 0.000 1.134 115 R CA 1.366 57.363 56.100 -0.172 0.000 0.952 115 R CB -0.545 29.698 30.300 -0.095 0.000 0.850 115 R HN 0.183 8.453 8.270 0.000 0.000 0.433 116 V N 1.552 121.224 119.914 -0.403 0.000 2.295 116 V HA -0.296 3.804 4.120 -0.035 0.000 0.246 116 V C 2.425 178.378 176.094 -0.236 0.000 1.049 116 V CA 1.949 64.043 62.300 -0.343 0.000 1.024 116 V CB -0.450 31.105 31.823 -0.447 0.000 0.648 116 V HN 0.371 8.561 8.190 0.000 0.000 0.447 117 M N -0.129 119.320 119.600 -0.251 0.000 2.080 117 M HA -0.215 4.244 4.480 -0.035 0.000 0.260 117 M C 2.197 178.387 176.300 -0.184 0.000 1.068 117 M CA 2.493 57.669 55.300 -0.206 0.000 1.109 117 M CB -0.378 32.090 32.600 -0.220 0.000 1.342 117 M HN 0.406 8.696 8.290 0.000 0.000 0.405 118 T N 0.537 114.957 114.554 -0.225 0.000 2.674 118 T HA -0.178 4.152 4.350 -0.035 0.000 0.265 118 T C 1.745 176.335 174.700 -0.184 0.000 1.039 118 T CA 1.809 63.759 62.100 -0.249 0.000 1.150 118 T CB -0.294 68.351 68.868 -0.373 0.000 0.864 118 T HN 0.556 8.796 8.240 0.000 0.000 0.427 119 Q N 0.214 119.931 119.800 -0.138 0.000 2.123 119 Q HA 0.122 4.442 4.340 -0.035 0.000 0.199 119 Q C 2.432 178.421 176.000 -0.019 0.000 0.966 119 Q CA 0.847 56.628 55.803 -0.037 0.000 0.845 119 Q CB -0.240 28.502 28.738 0.006 0.000 0.907 119 Q HN 0.445 8.715 8.270 0.000 0.000 0.439 120 L N 0.011 121.199 121.223 -0.060 0.000 2.156 120 L HA -0.130 4.189 4.340 -0.035 0.000 0.208 120 L C 2.297 179.124 176.870 -0.073 0.000 1.095 120 L CA 0.979 55.786 54.840 -0.054 0.000 0.770 120 L CB -0.452 41.571 42.059 -0.060 0.000 0.914 120 L HN 0.244 8.474 8.230 0.000 0.000 0.439 121 T N 0.432 114.939 114.554 -0.078 0.000 2.720 121 T HA -0.177 4.152 4.350 -0.035 0.000 0.268 121 T C 1.958 176.615 174.700 -0.071 0.000 1.037 121 T CA 1.262 63.319 62.100 -0.071 0.000 1.144 121 T CB -0.198 68.633 68.868 -0.061 0.000 0.864 121 T HN 0.194 8.434 8.240 0.000 0.000 0.444 122 L N 0.593 121.793 121.223 -0.038 0.000 2.093 122 L HA -0.038 4.282 4.340 -0.035 0.000 0.208 122 L C 3.001 179.760 176.870 -0.186 0.000 1.085 122 L CA 1.042 55.882 54.840 -0.001 0.000 0.755 122 L CB -0.627 41.530 42.059 0.164 0.000 0.904 122 L HN 0.226 8.456 8.230 0.000 0.000 0.435 123 A N 0.223 122.925 122.820 -0.197 0.000 1.883 123 A HA -0.186 4.114 4.320 -0.035 0.000 0.217 123 A C 2.259 179.658 177.584 -0.309 0.000 1.186 123 A CA 1.516 53.357 52.037 -0.327 0.000 0.624 123 A CB -0.735 18.190 19.000 -0.126 0.000 0.822 123 A HN 0.349 8.499 8.150 0.000 0.000 0.444 124 L N -0.701 120.367 121.223 -0.259 0.000 2.046 124 L HA -0.218 4.101 4.340 -0.035 0.000 0.208 124 L C 2.643 179.164 176.870 -0.582 0.000 1.077 124 L CA 1.950 56.540 54.840 -0.416 0.000 0.747 124 L CB -0.459 41.393 42.059 -0.346 0.000 0.896 124 L HN 0.504 8.734 8.230 0.000 0.000 0.432 125 K N 0.394 120.607 120.400 -0.312 0.000 2.044 125 K HA -0.295 4.005 4.320 -0.035 0.000 0.210 125 K C 2.069 178.590 176.600 -0.131 0.000 1.049 125 K CA 2.061 58.257 56.287 -0.152 0.000 0.927 125 K CB 0.004 32.481 32.500 -0.038 0.000 0.713 125 K HN 0.095 8.345 8.250 0.000 0.000 0.443 126 E N 0.445 120.518 120.200 -0.212 0.000 2.072 126 E HA -0.142 4.187 4.350 -0.035 0.000 0.191 126 E C 1.833 178.368 176.600 -0.110 0.000 0.985 126 E CA 1.632 57.934 56.400 -0.162 0.000 0.801 126 E CB -0.430 29.071 29.700 -0.331 0.000 0.750 126 E HN 0.420 8.780 8.360 0.000 0.000 0.452 127 C N 0.157 119.357 119.300 -0.167 0.000 2.413 127 C HA -0.121 4.318 4.460 -0.035 0.000 0.276 127 C C 2.406 177.435 174.990 0.065 0.000 1.248 127 C CA 1.303 60.277 59.018 -0.073 0.000 1.742 127 C CB -1.462 26.218 27.740 -0.101 0.000 2.017 127 C HN 0.577 8.807 8.230 0.000 0.000 0.481 128 H N -0.470 118.620 119.070 0.034 0.000 2.389 128 H HA -0.115 4.419 4.556 -0.038 0.000 0.299 128 H C 2.578 177.939 175.328 0.054 0.000 1.081 128 H CA 1.075 57.173 56.048 0.083 0.000 1.345 128 H CB -0.079 29.725 29.762 0.070 0.000 1.393 128 H HN 0.395 8.675 8.280 0.000 0.000 0.520 129 R N 0.948 121.531 120.500 0.138 0.000 2.081 129 R HA -0.115 4.204 4.340 -0.035 0.000 0.235 129 R C 2.001 178.327 176.300 0.043 0.000 1.131 129 R CA 1.097 57.242 56.100 0.076 0.000 0.960 129 R CB 0.184 30.514 30.300 0.050 0.000 0.856 129 R HN 0.177 8.447 8.270 0.000 0.000 0.436 130 R N 0.417 120.936 120.500 0.031 0.000 2.115 130 R HA 0.083 4.402 4.340 -0.035 0.000 0.230 130 R C 1.174 177.461 176.300 -0.022 0.000 1.111 130 R CA 0.505 56.605 56.100 0.001 0.000 0.976 130 R CB -0.588 29.708 30.300 -0.007 0.000 0.870 130 R HN 0.111 8.380 8.270 0.000 0.000 0.445 139 H N 5.266 124.157 119.070 -0.298 0.000 2.848 139 H HA 0.420 4.958 4.556 -0.030 0.000 0.317 139 H C -0.269 174.832 175.328 -0.378 0.000 1.046 139 H CA -0.035 55.631 56.048 -0.636 0.000 1.470 139 H CB 0.761 29.573 29.762 -1.584 0.000 1.483 139 H HN 0.472 8.752 8.280 0.000 0.000 0.548 140 R N 2.020 122.509 120.500 -0.018 0.000 2.771 140 R HA 0.390 4.709 4.340 -0.035 0.000 0.274 140 R C -1.603 174.941 176.300 0.407 0.000 0.987 140 R CA -0.963 55.290 56.100 0.255 0.000 0.908 140 R CB 1.736 32.126 30.300 0.150 0.000 1.213 140 R HN 0.548 8.818 8.270 0.000 0.000 0.468 141 D N 2.340 122.992 120.400 0.420 0.000 2.575 141 D HA 0.245 4.864 4.640 -0.035 0.000 0.250 141 D C -0.344 176.081 176.300 0.209 0.000 1.279 141 D CA -0.650 53.543 54.000 0.323 0.000 0.925 141 D CB 1.363 42.318 40.800 0.260 0.000 1.261 141 D HN 0.407 8.777 8.370 0.000 0.000 0.567 142 L N 2.985 124.332 121.223 0.207 0.000 2.629 142 L HA 0.175 4.494 4.340 -0.035 0.000 0.230 142 L C 1.091 178.089 176.870 0.213 0.000 1.151 142 L CA 0.064 55.021 54.840 0.194 0.000 0.924 142 L CB -1.182 41.001 42.059 0.206 0.000 1.137 142 L HN 0.453 8.683 8.230 0.000 0.000 0.457 143 K N -0.517 119.946 120.400 0.105 0.000 2.380 143 K HA 0.068 4.367 4.320 -0.035 0.000 0.267 143 K C -1.818 174.774 176.600 -0.013 0.000 0.990 143 K CA -1.008 55.242 56.287 -0.063 0.000 0.946 143 K CB 0.148 32.539 32.500 -0.180 0.000 0.937 143 K HN -0.187 8.063 8.250 0.000 0.000 0.491 144 P HA -0.210 4.210 4.420 0.000 0.000 0.216 144 P C 0.953 178.171 177.300 -0.137 0.000 1.150 144 P CA 1.871 64.950 63.100 -0.036 0.000 0.843 144 P CB -0.046 31.647 31.700 -0.012 0.000 0.787 145 A N -1.051 121.689 122.820 -0.133 0.000 2.172 145 A HA -0.132 4.167 4.320 -0.035 0.000 0.216 145 A C 1.899 179.335 177.584 -0.246 0.000 1.154 145 A CA 1.426 53.363 52.037 -0.167 0.000 0.701 145 A CB -1.209 17.743 19.000 -0.079 0.000 0.789 145 A HN 0.137 8.287 8.150 0.000 0.000 0.465 146 N N -0.762 117.832 118.700 -0.177 0.000 2.234 146 N HA 0.204 4.924 4.740 -0.035 0.000 0.227 146 N C -1.028 174.425 175.510 -0.095 0.000 1.151 146 N CA 0.132 53.147 53.050 -0.057 0.000 0.865 146 N CB 0.556 39.096 38.487 0.089 0.000 1.066 146 N HN 0.029 8.409 8.380 0.000 0.000 0.515 147 V N 1.380 121.077 119.914 -0.361 0.000 2.540 147 V HA 0.531 4.630 4.120 -0.035 0.000 0.302 147 V C -0.760 175.070 176.094 -0.440 0.000 1.035 147 V CA -0.676 61.508 62.300 -0.193 0.000 0.873 147 V CB 1.185 32.966 31.823 -0.070 0.000 0.992 147 V HN -0.068 8.122 8.190 0.000 0.000 0.428 148 F N 3.915 123.902 119.950 0.061 0.000 2.579 148 F HA 0.732 5.237 4.527 -0.036 0.000 0.324 148 F C -0.159 175.674 175.800 0.056 0.000 1.058 148 F CA -0.868 57.163 58.000 0.053 0.000 0.944 148 F CB 1.829 40.852 39.000 0.037 0.000 1.245 148 F HN 0.157 8.457 8.300 0.000 0.000 0.477 149 L N 1.897 123.261 121.223 0.234 0.000 2.365 149 L HA 0.425 4.744 4.340 -0.035 0.000 0.273 149 L C -0.630 176.296 176.870 0.093 0.000 1.000 149 L CA -0.982 53.953 54.840 0.159 0.000 0.819 149 L CB 1.634 43.790 42.059 0.162 0.000 1.284 149 L HN 0.633 8.863 8.230 0.000 0.000 0.418 150 D N 1.631 122.069 120.400 0.064 0.000 2.496 150 D HA 0.151 4.771 4.640 -0.035 0.000 0.283 150 D C 1.011 177.317 176.300 0.009 0.000 1.214 150 D CA -0.329 53.674 54.000 0.005 0.000 1.089 150 D CB 0.745 41.555 40.800 0.016 0.000 1.141 150 D HN 0.502 8.872 8.370 0.000 0.000 0.580 151 G N -1.703 107.100 108.800 0.004 0.000 3.284 151 G HA2 0.049 3.988 3.960 -0.035 0.000 0.236 151 G HA3 0.049 3.988 3.960 -0.035 0.000 0.236 151 G C 0.557 175.472 174.900 0.024 0.000 1.158 151 G CA -0.335 44.777 45.100 0.020 0.000 0.774 151 G HN 0.364 8.654 8.290 0.000 0.000 0.545 152 K N 0.123 120.530 120.400 0.012 0.000 2.676 152 K HA 0.195 4.494 4.320 -0.035 0.000 0.205 152 K C 0.455 177.076 176.600 0.036 0.000 1.084 152 K CA -0.263 56.030 56.287 0.010 0.000 1.057 152 K CB 0.497 32.981 32.500 -0.027 0.000 0.791 152 K HN 0.184 8.434 8.250 0.000 0.000 0.484 153 Q N -0.113 119.728 119.800 0.069 0.000 2.460 153 Q HA -0.182 4.138 4.340 -0.035 0.000 0.248 153 Q C -0.684 175.385 176.000 0.115 0.000 0.847 153 Q CA 0.559 56.434 55.803 0.120 0.000 1.214 153 Q CB -1.305 27.511 28.738 0.131 0.000 1.523 153 Q HN 0.377 8.647 8.270 0.000 0.000 0.602 154 N N 0.421 119.160 118.700 0.066 0.000 2.498 154 N HA 0.439 5.158 4.740 -0.035 0.000 0.287 154 N C -0.331 175.237 175.510 0.096 0.000 1.097 154 N CA -0.223 52.868 53.050 0.069 0.000 0.973 154 N CB 1.611 40.076 38.487 -0.037 0.000 1.153 154 N HN -0.091 8.289 8.380 0.000 0.000 0.472 155 V N 1.840 121.813 119.914 0.099 0.000 2.459 155 V HA 0.406 4.505 4.120 -0.035 0.000 0.295 155 V C -0.140 176.026 176.094 0.121 0.000 1.029 155 V CA -0.647 61.706 62.300 0.087 0.000 0.874 155 V CB 1.383 33.209 31.823 0.004 0.000 0.985 155 V HN 0.530 8.720 8.190 0.000 0.000 0.438 156 K N 3.562 124.057 120.400 0.159 0.000 2.443 156 K HA 0.583 4.882 4.320 -0.035 0.000 0.252 156 K C -1.094 175.635 176.600 0.215 0.000 0.933 156 K CA -0.745 55.652 56.287 0.184 0.000 0.792 156 K CB 2.288 34.906 32.500 0.197 0.000 1.185 156 K HN 0.522 8.772 8.250 0.000 0.000 0.425 157 L N 2.669 123.991 121.223 0.165 0.000 2.410 157 L HA 0.334 4.653 4.340 -0.035 0.000 0.273 157 L C 0.308 177.322 176.870 0.240 0.000 1.144 157 L CA 0.640 55.585 54.840 0.174 0.000 0.863 157 L CB 0.438 42.558 42.059 0.101 0.000 1.140 157 L HN 0.733 8.963 8.230 0.000 0.000 0.463 158 G N 3.785 112.794 108.800 0.348 0.000 2.572 158 G HA2 0.220 4.159 3.960 -0.035 0.000 0.261 158 G HA3 0.220 4.159 3.960 -0.035 0.000 0.261 158 G C -0.711 174.340 174.900 0.252 0.000 1.197 158 G CA -0.404 44.918 45.100 0.370 0.000 0.870 158 G HN 0.835 9.125 8.290 0.000 0.000 0.548 159 D N -0.513 120.005 120.400 0.196 0.000 2.423 159 D HA -0.079 4.541 4.640 -0.035 0.000 0.238 159 D C 0.803 177.240 176.300 0.228 0.000 1.142 159 D CA -0.433 53.684 54.000 0.195 0.000 0.884 159 D CB 1.162 42.055 40.800 0.154 0.000 1.199 159 D HN 0.205 8.575 8.370 0.000 0.000 0.438 160 F N 1.234 121.246 119.950 0.104 0.000 2.171 160 F HA 0.062 4.572 4.527 -0.028 0.000 0.300 160 F C 1.254 177.093 175.800 0.065 0.000 1.090 160 F CA 1.937 59.994 58.000 0.096 0.000 1.293 160 F CB 0.096 39.156 39.000 0.099 0.000 1.013 160 F HN 0.791 9.091 8.300 0.000 0.000 0.486 161 G N 0.354 109.218 108.800 0.107 0.000 3.353 161 G HA2 -0.143 3.796 3.960 -0.035 0.000 0.682 161 G HA3 -0.143 3.796 3.960 -0.035 0.000 0.682 161 G C 0.186 175.084 174.900 -0.003 0.000 1.192 161 G CA -0.234 44.854 45.100 -0.020 0.000 1.111 161 G HN 0.313 8.603 8.290 0.000 0.000 0.493 162 L N 1.474 122.688 121.223 -0.015 0.000 2.012 162 L HA -0.149 4.170 4.340 -0.035 0.000 0.210 162 L C 3.252 180.040 176.870 -0.137 0.000 1.073 162 L CA 2.450 57.269 54.840 -0.034 0.000 0.748 162 L CB -0.533 41.510 42.059 -0.026 0.000 0.891 162 L HN 0.851 9.081 8.230 0.000 0.000 0.431 163 A N -0.320 122.326 122.820 -0.290 0.000 2.019 163 A HA -0.229 4.070 4.320 -0.035 0.000 0.219 163 A C 2.365 179.589 177.584 -0.600 0.000 1.164 163 A CA 1.665 53.411 52.037 -0.485 0.000 0.644 163 A CB -0.506 18.046 19.000 -0.747 0.000 0.805 163 A HN 0.325 8.475 8.150 0.000 0.000 0.449 164 R N -0.227 119.931 120.500 -0.569 0.000 2.073 164 R HA 0.059 4.378 4.340 -0.035 0.000 0.229 164 R C 1.751 178.035 176.300 -0.028 0.000 1.120 164 R CA 1.344 57.251 56.100 -0.321 0.000 0.967 164 R CB -0.386 29.703 30.300 -0.353 0.000 0.862 164 R HN 0.538 8.808 8.270 0.000 0.000 0.436 165 I N 0.781 121.374 120.570 0.038 0.000 2.567 165 I HA -0.197 3.952 4.170 -0.035 0.000 0.257 165 I C 1.212 177.268 176.117 -0.101 0.000 1.184 165 I CA 0.418 61.645 61.300 -0.123 0.000 1.451 165 I CB -0.148 37.783 38.000 -0.115 0.000 1.089 165 I HN 0.202 8.412 8.210 0.000 0.000 0.441 171 S N 1.828 117.672 115.700 0.240 0.000 2.423 171 S HA -0.014 4.435 4.470 -0.035 0.000 0.231 171 S C 1.639 176.364 174.600 0.207 0.000 1.014 171 S CA 0.858 59.210 58.200 0.252 0.000 0.965 171 S CB -0.599 62.755 63.200 0.257 0.000 0.785 171 S HN 0.466 8.776 8.310 0.000 0.000 0.495 172 F N 3.066 123.058 119.950 0.070 0.000 2.234 172 F HA 0.316 4.822 4.527 -0.036 0.000 0.296 172 F C 2.328 178.173 175.800 0.074 0.000 1.089 172 F CA 0.204 58.232 58.000 0.046 0.000 1.343 172 F CB -0.940 38.052 39.000 -0.013 0.000 1.040 172 F HN 0.229 8.529 8.300 0.000 0.000 0.498 173 A N 0.680 123.358 122.820 -0.235 0.000 1.851 173 A HA -0.194 4.105 4.320 -0.035 0.000 0.216 173 A C 2.206 179.676 177.584 -0.189 0.000 1.195 173 A CA 1.878 53.732 52.037 -0.306 0.000 0.622 173 A CB -0.676 18.245 19.000 -0.132 0.000 0.831 173 A HN 0.263 8.413 8.150 0.000 0.000 0.444 174 K N -0.915 119.428 120.400 -0.096 0.000 2.356 174 K HA 0.075 4.374 4.320 -0.035 0.000 0.195 174 K C 1.890 178.476 176.600 -0.023 0.000 1.037 174 K CA 1.007 57.258 56.287 -0.060 0.000 1.014 174 K CB -0.540 31.927 32.500 -0.056 0.000 0.815 174 K HN 0.487 8.737 8.250 0.000 0.000 0.507 175 T N 1.003 115.569 114.554 0.020 0.000 2.867 175 T HA -0.086 4.243 4.350 -0.035 0.000 0.268 175 T C 1.348 176.102 174.700 0.090 0.000 1.057 175 T CA 0.898 63.042 62.100 0.074 0.000 1.136 175 T CB -0.150 68.804 68.868 0.143 0.000 0.874 175 T HN 0.073 8.313 8.240 0.000 0.000 0.466 176 F N 1.332 121.172 119.950 -0.183 0.000 2.084 176 F HA 0.071 4.577 4.527 -0.036 0.000 0.283 176 F C 2.318 178.021 175.800 -0.161 0.000 1.141 176 F CA 0.374 58.248 58.000 -0.211 0.000 1.146 176 F CB -0.856 37.848 39.000 -0.494 0.000 1.035 176 F HN -0.167 8.133 8.300 0.000 0.000 0.485 177 V N 0.863 120.694 119.914 -0.138 0.000 2.282 177 V HA -0.192 3.908 4.120 -0.035 0.000 0.249 177 V C 1.683 177.671 176.094 -0.176 0.000 1.057 177 V CA 1.388 63.575 62.300 -0.188 0.000 1.032 177 V CB -2.024 29.745 31.823 -0.089 0.000 0.645 177 V HN 0.433 8.623 8.190 0.000 0.000 0.447 178 G N 0.059 108.784 108.800 -0.125 0.000 2.484 178 G HA2 0.264 4.203 3.960 -0.035 0.000 0.235 178 G HA3 0.264 4.203 3.960 -0.035 0.000 0.235 178 G C -0.085 174.712 174.900 -0.171 0.000 1.282 178 G CA 0.033 45.067 45.100 -0.110 0.000 0.857 178 G HN 0.343 8.633 8.290 0.000 0.000 0.571 179 T N 3.493 117.911 114.554 -0.226 0.000 2.744 179 T HA 0.425 4.754 4.350 -0.035 0.000 0.291 179 T C -2.157 172.256 174.700 -0.478 0.000 0.957 179 T CA -0.827 61.015 62.100 -0.430 0.000 1.002 179 T CB 1.788 70.229 68.868 -0.712 0.000 0.919 179 T HN 0.297 8.537 8.240 0.000 0.000 0.468 180 P HA 0.225 4.645 4.420 0.000 0.000 0.225 180 P C 0.083 177.354 177.300 -0.049 0.000 1.813 180 P CA -0.319 62.701 63.100 -0.133 0.000 1.013 180 P CB -0.427 31.233 31.700 -0.066 0.000 1.961 181 Y N -0.539 119.807 120.300 0.078 0.000 2.256 181 Y HA -0.215 4.313 4.550 -0.035 0.000 0.288 181 Y C 1.288 177.482 175.900 0.490 0.000 1.155 181 Y CA 1.246 59.480 58.100 0.222 0.000 1.203 181 Y CB -0.413 38.151 38.460 0.173 0.000 0.980 181 Y HN 0.201 8.481 8.280 0.000 0.000 0.530 182 Y N -0.301 120.169 120.300 0.284 0.000 2.485 182 Y HA 0.164 4.692 4.550 -0.036 0.000 0.260 182 Y C 0.783 176.898 175.900 0.359 0.000 1.173 182 Y CA -1.245 57.039 58.100 0.306 0.000 1.252 182 Y CB -0.907 37.680 38.460 0.212 0.000 1.123 182 Y HN 0.076 8.356 8.280 0.000 0.000 0.524 183 M N 0.609 120.426 119.600 0.361 0.000 2.238 183 M HA 0.298 4.757 4.480 -0.035 0.000 0.350 183 M C 0.508 176.751 176.300 -0.095 0.000 1.321 183 M CA -0.049 55.330 55.300 0.132 0.000 1.097 183 M CB 0.613 33.231 32.600 0.031 0.000 1.713 183 M HN 0.160 8.450 8.290 0.000 0.000 0.455 184 S N 3.169 118.624 115.700 -0.407 0.000 2.593 184 S HA 0.359 4.808 4.470 -0.035 0.000 0.269 184 S C -2.104 172.000 174.600 -0.827 0.000 1.334 184 S CA -1.106 56.384 58.200 -1.183 0.000 1.015 184 S CB 0.451 63.166 63.200 -0.807 0.000 0.912 184 S HN 0.621 8.931 8.310 0.000 0.000 0.541 185 P HA -0.161 4.259 4.420 0.000 0.000 0.215 185 P C 1.650 178.730 177.300 -0.366 0.000 1.153 185 P CA 1.356 64.110 63.100 -0.577 0.000 0.853 185 P CB -0.057 31.313 31.700 -0.550 0.000 0.788 186 E N -0.195 119.795 120.200 -0.350 0.000 2.152 186 E HA -0.183 4.146 4.350 -0.035 0.000 0.192 186 E C 1.665 178.159 176.600 -0.176 0.000 0.983 186 E CA 1.105 57.373 56.400 -0.220 0.000 0.818 186 E CB -1.033 28.555 29.700 -0.187 0.000 0.758 186 E HN 0.249 8.609 8.360 0.000 0.000 0.467 187 Q N 0.359 120.040 119.800 -0.197 0.000 2.230 187 Q HA 0.055 4.374 4.340 -0.035 0.000 0.202 187 Q C 2.289 178.224 176.000 -0.109 0.000 0.963 187 Q CA 0.853 56.579 55.803 -0.128 0.000 0.866 187 Q CB -0.338 28.335 28.738 -0.108 0.000 0.931 187 Q HN 0.407 8.677 8.270 0.000 0.000 0.452 188 M N 0.842 120.351 119.600 -0.152 0.000 2.082 188 M HA -0.237 4.222 4.480 -0.035 0.000 0.258 188 M C 1.629 177.875 176.300 -0.090 0.000 1.071 188 M CA 1.555 56.781 55.300 -0.123 0.000 1.103 188 M CB -0.374 32.128 32.600 -0.164 0.000 1.307 188 M HN 0.187 8.477 8.290 0.000 0.000 0.409 189 N N 0.277 118.916 118.700 -0.101 0.000 2.120 189 N HA -0.056 4.664 4.740 -0.035 0.000 0.188 189 N C 0.775 176.254 175.510 -0.053 0.000 1.024 189 N CA 1.366 54.372 53.050 -0.074 0.000 0.852 189 N CB -0.267 38.172 38.487 -0.080 0.000 1.003 189 N HN 0.388 8.768 8.380 0.000 0.000 0.424 190 R N -0.587 119.880 120.500 -0.055 0.000 2.868 190 R HA 0.653 4.972 4.340 -0.035 0.000 0.262 190 R C -0.207 176.073 176.300 -0.034 0.000 1.163 190 R CA 0.092 56.171 56.100 -0.035 0.000 1.105 190 R CB -0.910 29.373 30.300 -0.029 0.000 1.270 190 R HN 0.173 8.443 8.270 0.000 0.000 0.437 194 N N 4.802 123.150 118.700 -0.585 0.000 2.655 194 N HA 0.183 4.903 4.740 -0.035 0.000 0.277 194 N C -0.334 174.850 175.510 -0.545 0.000 1.177 194 N CA -0.333 52.445 53.050 -0.454 0.000 0.882 194 N CB 1.354 39.710 38.487 -0.219 0.000 1.481 194 N HN 0.923 9.303 8.380 0.000 0.000 0.547 195 E N 1.183 120.996 120.200 -0.644 0.000 2.204 195 E HA -0.103 4.226 4.350 -0.035 0.000 0.195 195 E C 0.807 177.255 176.600 -0.254 0.000 0.990 195 E CA 0.760 56.787 56.400 -0.622 0.000 0.821 195 E CB 0.337 29.531 29.700 -0.843 0.000 0.750 195 E HN 0.416 8.776 8.360 0.000 0.000 0.477 196 K N 0.375 120.673 120.400 -0.171 0.000 2.283 196 K HA 0.019 4.318 4.320 -0.035 0.000 0.202 196 K C 2.068 178.664 176.600 -0.006 0.000 1.048 196 K CA 0.501 56.757 56.287 -0.052 0.000 0.948 196 K CB -0.021 32.458 32.500 -0.035 0.000 0.742 196 K HN -0.017 8.233 8.250 0.000 0.000 0.458 197 S N 1.645 117.308 115.700 -0.062 0.000 2.383 197 S HA -0.112 4.337 4.470 -0.035 0.000 0.227 197 S C 1.274 175.926 174.600 0.086 0.000 1.026 197 S CA 1.145 59.336 58.200 -0.015 0.000 0.981 197 S CB -0.108 63.038 63.200 -0.089 0.000 0.818 197 S HN 0.280 8.590 8.310 0.000 0.000 0.472 198 D N 1.504 121.941 120.400 0.062 0.000 2.144 198 D HA -0.042 4.578 4.640 -0.035 0.000 0.199 198 D C 1.799 178.172 176.300 0.122 0.000 0.984 198 D CA 0.694 54.769 54.000 0.125 0.000 0.834 198 D CB -0.205 40.713 40.800 0.196 0.000 0.955 198 D HN 0.272 8.642 8.370 0.000 0.000 0.465 199 I N 0.369 121.006 120.570 0.112 0.000 2.315 199 I HA -0.205 3.945 4.170 -0.035 0.000 0.248 199 I C 2.373 178.541 176.117 0.085 0.000 1.117 199 I CA 0.629 61.977 61.300 0.081 0.000 1.404 199 I CB -1.157 36.886 38.000 0.072 0.000 1.071 199 I HN 0.279 8.489 8.210 0.000 0.000 0.419 200 W N 2.334 123.606 121.300 -0.046 0.000 2.335 200 W HA -0.219 4.420 4.660 -0.036 0.000 0.311 200 W C 2.476 178.938 176.519 -0.095 0.000 1.213 200 W CA 1.866 59.175 57.345 -0.061 0.000 1.274 200 W CB -0.453 28.981 29.460 -0.044 0.000 1.148 200 W HN 0.089 8.269 8.180 0.000 0.000 0.498 201 S N 1.416 117.260 115.700 0.239 0.000 2.368 201 S HA -0.233 4.216 4.470 -0.035 0.000 0.225 201 S C 1.752 176.275 174.600 -0.128 0.000 1.030 201 S CA 1.533 59.797 58.200 0.108 0.000 0.999 201 S CB -0.897 62.457 63.200 0.257 0.000 0.844 201 S HN 0.279 8.589 8.310 0.000 0.000 0.459 202 L N 2.263 123.446 121.223 -0.066 0.000 2.042 202 L HA -0.025 4.294 4.340 -0.035 0.000 0.210 202 L C 2.252 178.979 176.870 -0.239 0.000 1.076 202 L CA 2.066 56.835 54.840 -0.119 0.000 0.749 202 L CB -1.327 40.691 42.059 -0.069 0.000 0.893 202 L HN 0.301 8.531 8.230 0.000 0.000 0.432 203 G N -1.293 107.332 108.800 -0.292 0.000 2.440 203 G HA2 -0.289 3.650 3.960 -0.035 0.000 0.218 203 G HA3 -0.289 3.650 3.960 -0.035 0.000 0.218 203 G C 1.599 176.185 174.900 -0.523 0.000 1.154 203 G CA 1.046 45.909 45.100 -0.394 0.000 0.767 203 G HN 0.550 8.840 8.290 0.000 0.000 0.552 204 C N -0.218 118.654 119.300 -0.714 0.000 2.429 204 C HA -0.000 4.439 4.460 -0.035 0.000 0.277 204 C C 2.719 177.240 174.990 -0.781 0.000 1.262 204 C CA 0.770 59.251 59.018 -0.895 0.000 1.733 204 C CB -0.982 25.991 27.740 -1.279 0.000 2.010 204 C HN 0.476 8.706 8.230 0.000 0.000 0.483 205 L N 0.705 121.508 121.223 -0.700 0.000 2.017 205 L HA -0.075 4.244 4.340 -0.035 0.000 0.208 205 L C 2.312 179.081 176.870 -0.170 0.000 1.073 205 L CA 1.885 56.580 54.840 -0.240 0.000 0.745 205 L CB -0.759 41.276 42.059 -0.041 0.000 0.894 205 L HN 0.298 8.528 8.230 0.000 0.000 0.432 206 L N -1.748 119.342 121.223 -0.221 0.000 2.083 206 L HA -0.246 4.073 4.340 -0.035 0.000 0.209 206 L C 2.540 179.256 176.870 -0.257 0.000 1.083 206 L CA 1.564 56.268 54.840 -0.227 0.000 0.752 206 L CB -0.888 41.027 42.059 -0.241 0.000 0.899 206 L HN 0.354 8.584 8.230 0.000 0.000 0.433 207 Y N 1.039 121.102 120.300 -0.395 0.000 2.128 207 Y HA -0.325 4.204 4.550 -0.035 0.000 0.284 207 Y C 2.675 178.383 175.900 -0.320 0.000 1.154 207 Y CA 2.129 59.979 58.100 -0.417 0.000 1.149 207 Y CB -0.133 38.002 38.460 -0.541 0.000 0.976 207 Y HN 0.202 8.482 8.280 0.000 0.000 0.505 208 E N -0.124 120.067 120.200 -0.014 0.000 2.110 208 E HA -0.193 4.137 4.350 -0.035 0.000 0.193 208 E C 2.156 178.721 176.600 -0.059 0.000 0.988 208 E CA 1.204 57.607 56.400 0.005 0.000 0.804 208 E CB -0.297 29.449 29.700 0.076 0.000 0.745 208 E HN 0.581 8.941 8.360 0.000 0.000 0.458 209 L N 0.107 121.278 121.223 -0.086 0.000 2.131 209 L HA -0.246 4.073 4.340 -0.035 0.000 0.210 209 L C 2.535 179.331 176.870 -0.124 0.000 1.092 209 L CA 0.895 55.705 54.840 -0.051 0.000 0.759 209 L CB -0.279 41.755 42.059 -0.042 0.000 0.903 209 L HN 0.411 8.641 8.230 0.000 0.000 0.435 210 C N -0.887 118.195 119.300 -0.364 0.000 2.522 210 C HA 0.068 4.507 4.460 -0.035 0.000 0.280 210 C C 2.886 177.659 174.990 -0.363 0.000 1.303 210 C CA 0.621 59.257 59.018 -0.636 0.000 1.709 210 C CB -0.689 26.390 27.740 -1.103 0.000 2.071 210 C HN 0.584 8.814 8.230 0.000 0.000 0.492 211 A N -0.510 122.081 122.820 -0.382 0.000 2.147 211 A HA 0.373 4.672 4.320 -0.035 0.000 0.211 211 A C 1.314 178.939 177.584 0.068 0.000 1.160 211 A CA 0.319 52.222 52.037 -0.223 0.000 0.781 211 A CB -0.393 18.359 19.000 -0.413 0.000 0.842 211 A HN 0.626 8.776 8.150 0.000 0.000 0.475 212 L N -1.950 119.306 121.223 0.054 0.000 4.429 212 L HA -0.237 4.082 4.340 -0.035 0.000 0.422 212 L C 0.034 176.920 176.870 0.027 0.000 1.149 212 L CA 0.902 55.782 54.840 0.067 0.000 0.972 212 L CB -2.210 39.913 42.059 0.107 0.000 2.059 212 L HN 0.806 9.036 8.230 0.000 0.000 0.870 213 M N -2.702 116.913 119.600 0.025 0.000 2.520 213 M HA 0.757 5.216 4.480 -0.035 0.000 0.280 213 M C -2.932 173.397 176.300 0.048 0.000 1.232 213 M CA -1.858 53.443 55.300 0.001 0.000 0.892 213 M CB 2.558 35.163 32.600 0.010 0.000 1.728 213 M HN -0.323 7.967 8.290 0.000 0.000 0.475 214 P HA 0.274 4.694 4.420 0.000 0.000 0.274 214 P C -2.297 174.853 177.300 -0.250 0.000 1.246 214 P CA -0.978 62.080 63.100 -0.070 0.000 0.795 214 P CB -0.060 31.588 31.700 -0.088 0.000 1.006 215 P HA -0.020 4.400 4.420 0.000 0.000 0.221 215 P C -0.205 176.477 177.300 -1.030 0.000 1.150 215 P CA 1.395 63.613 63.100 -1.469 0.000 0.800 215 P CB 0.047 30.406 31.700 -2.236 0.000 0.787 216 F N 0.606 120.479 119.950 -0.129 0.000 2.460 216 F HA 0.360 4.866 4.527 -0.035 0.000 0.341 216 F C 0.779 176.645 175.800 0.111 0.000 1.130 216 F CA -0.780 57.236 58.000 0.027 0.000 0.962 216 F CB 1.233 40.290 39.000 0.094 0.000 1.171 216 F HN -0.290 8.010 8.300 0.000 0.000 0.436 217 T N 0.252 114.922 114.554 0.193 0.000 2.918 217 T HA 0.978 5.307 4.350 -0.035 0.000 0.286 217 T C -0.531 174.202 174.700 0.054 0.000 1.026 217 T CA -0.732 61.457 62.100 0.147 0.000 1.031 217 T CB 2.115 70.972 68.868 -0.018 0.000 1.046 217 T HN 1.031 9.271 8.240 0.000 0.000 0.479 218 A N 0.864 123.661 122.820 -0.039 0.000 2.586 218 A HA 0.666 4.965 4.320 -0.035 0.000 0.291 218 A C -0.614 176.798 177.584 -0.287 0.000 1.062 218 A CA -0.963 50.978 52.037 -0.160 0.000 0.666 218 A CB 0.260 19.249 19.000 -0.019 0.000 1.281 218 A HN 0.746 8.896 8.150 0.000 0.000 0.421 219 F N 1.021 121.001 119.950 0.050 0.000 2.721 219 F HA 0.275 4.781 4.527 -0.034 0.000 0.301 219 F C 1.354 177.141 175.800 -0.021 0.000 1.096 219 F CA 1.040 59.054 58.000 0.023 0.000 1.308 219 F CB 0.755 39.770 39.000 0.024 0.000 1.086 219 F HN 0.654 8.954 8.300 0.000 0.000 0.587 220 S N -1.476 114.283 115.700 0.098 0.000 2.618 220 S HA 0.303 4.752 4.470 -0.035 0.000 0.277 220 S C 0.173 174.749 174.600 -0.039 0.000 1.138 220 S CA -0.793 57.418 58.200 0.018 0.000 0.844 220 S CB 1.896 65.118 63.200 0.036 0.000 1.127 220 S HN 0.137 8.447 8.310 0.000 0.000 0.474 221 Q N 0.487 120.244 119.800 -0.073 0.000 2.230 221 Q HA -0.012 4.307 4.340 -0.035 0.000 0.202 221 Q C 1.887 177.856 176.000 -0.053 0.000 0.963 221 Q CA 0.874 56.625 55.803 -0.086 0.000 0.866 221 Q CB -0.142 28.533 28.738 -0.105 0.000 0.931 221 Q HN 0.762 9.032 8.270 0.000 0.000 0.452 222 K N 1.478 121.860 120.400 -0.031 0.000 2.026 222 K HA -0.231 4.068 4.320 -0.035 0.000 0.208 222 K C 1.943 178.538 176.600 -0.008 0.000 1.048 222 K CA 1.452 57.729 56.287 -0.017 0.000 0.929 222 K CB 0.022 32.519 32.500 -0.004 0.000 0.713 222 K HN 0.151 8.401 8.250 0.000 0.000 0.439 223 E N 0.547 120.751 120.200 0.008 0.000 2.051 223 E HA -0.219 4.111 4.350 -0.035 0.000 0.192 223 E C 2.175 178.785 176.600 0.017 0.000 0.991 223 E CA 1.039 57.455 56.400 0.026 0.000 0.799 223 E CB -0.092 29.641 29.700 0.055 0.000 0.748 223 E HN 0.260 8.620 8.360 0.000 0.000 0.449 224 L N 1.090 122.311 121.223 -0.003 0.000 2.012 224 L HA -0.137 4.182 4.340 -0.035 0.000 0.210 224 L C 2.360 179.208 176.870 -0.037 0.000 1.073 224 L CA 2.361 57.199 54.840 -0.003 0.000 0.748 224 L CB -0.821 41.209 42.059 -0.049 0.000 0.891 224 L HN 0.192 8.422 8.230 0.000 0.000 0.431 225 A N -0.588 122.197 122.820 -0.058 0.000 1.940 225 A HA -0.106 4.193 4.320 -0.035 0.000 0.219 225 A C 2.348 179.883 177.584 -0.081 0.000 1.176 225 A CA 1.628 53.613 52.037 -0.086 0.000 0.631 225 A CB -1.634 17.323 19.000 -0.072 0.000 0.814 225 A HN 0.559 8.709 8.150 0.000 0.000 0.446 226 G N -0.356 108.419 108.800 -0.041 0.000 2.440 226 G HA2 -0.249 3.690 3.960 -0.035 0.000 0.218 226 G HA3 -0.249 3.690 3.960 -0.035 0.000 0.218 226 G C 1.701 176.591 174.900 -0.016 0.000 1.154 226 G CA 1.143 46.230 45.100 -0.022 0.000 0.767 226 G HN 0.580 8.870 8.290 0.000 0.000 0.552 227 K N -0.180 120.223 120.400 0.004 0.000 2.057 227 K HA 0.096 4.395 4.320 -0.035 0.000 0.206 227 K C 2.482 179.022 176.600 -0.101 0.000 1.050 227 K CA 0.763 57.090 56.287 0.068 0.000 0.935 227 K CB -0.218 32.403 32.500 0.202 0.000 0.715 227 K HN 0.317 8.567 8.250 0.000 0.000 0.439 228 I N 0.965 121.320 120.570 -0.360 0.000 2.163 228 I HA -0.299 3.850 4.170 -0.035 0.000 0.243 228 I C 2.410 178.331 176.117 -0.327 0.000 1.085 228 I CA 1.338 62.221 61.300 -0.695 0.000 1.347 228 I CB -0.225 37.481 38.000 -0.490 0.000 1.044 228 I HN 0.136 8.346 8.210 0.000 0.000 0.408 229 R N 0.208 120.592 120.500 -0.193 0.000 2.120 229 R HA -0.205 4.114 4.340 -0.035 0.000 0.234 229 R C 2.156 178.431 176.300 -0.040 0.000 1.123 229 R CA 1.245 57.274 56.100 -0.118 0.000 0.975 229 R CB -0.210 30.035 30.300 -0.093 0.000 0.866 229 R HN 0.253 8.523 8.270 0.000 0.000 0.446 230 E N -0.246 119.951 120.200 -0.004 0.000 2.216 230 E HA -0.057 4.272 4.350 -0.035 0.000 0.192 230 E C 0.982 177.649 176.600 0.111 0.000 0.988 230 E CA 1.054 57.484 56.400 0.049 0.000 0.834 230 E CB 0.001 29.739 29.700 0.063 0.000 0.772 230 E HN 0.391 8.751 8.360 0.000 0.000 0.479 231 G N 0.723 109.645 108.800 0.204 0.000 2.153 231 G HA2 -0.342 3.597 3.960 -0.035 0.000 0.252 231 G HA3 -0.342 3.597 3.960 -0.035 0.000 0.252 231 G C -0.064 175.047 174.900 0.351 0.000 0.994 231 G CA 0.755 46.095 45.100 0.400 0.000 0.698 231 G HN 0.302 8.592 8.290 0.000 0.000 0.521 232 K N -0.529 120.034 120.400 0.272 0.000 2.123 232 K HA 0.782 5.081 4.320 -0.035 0.000 0.259 232 K C -0.200 176.392 176.600 -0.014 0.000 0.960 232 K CA -0.577 55.659 56.287 -0.085 0.000 0.872 232 K CB 1.272 33.740 32.500 -0.054 0.000 1.079 232 K HN 0.461 8.711 8.250 0.000 0.000 0.440 233 F N -2.169 117.731 119.950 -0.084 0.000 2.741 233 F HA 0.459 4.965 4.527 -0.035 0.000 0.311 233 F C -0.607 175.135 175.800 -0.096 0.000 1.149 233 F CA -1.539 56.320 58.000 -0.236 0.000 0.930 233 F CB 0.651 39.265 39.000 -0.643 0.000 1.312 233 F HN 0.174 8.474 8.300 0.000 0.000 0.450 234 R N 1.174 121.787 120.500 0.190 0.000 2.694 234 R HA 0.296 4.615 4.340 -0.035 0.000 0.268 234 R C 0.238 176.686 176.300 0.246 0.000 1.061 234 R CA -0.808 55.383 56.100 0.152 0.000 1.133 234 R CB 0.627 30.997 30.300 0.116 0.000 1.020 234 R HN 0.707 8.977 8.270 0.000 0.000 0.475 235 R N 2.962 123.500 120.500 0.065 0.000 2.679 235 R HA 0.017 4.337 4.340 -0.035 0.000 0.268 235 R C 0.550 176.741 176.300 -0.182 0.000 1.044 235 R CA -0.160 55.927 56.100 -0.022 0.000 1.105 235 R CB 0.309 30.512 30.300 -0.162 0.000 0.989 235 R HN 0.607 8.877 8.270 0.000 0.000 0.447 236 I N 1.447 121.840 120.570 -0.294 0.000 3.045 236 I HA 0.152 4.301 4.170 -0.035 0.000 0.288 236 I C -2.082 173.790 176.117 -0.409 0.000 1.238 236 I CA -1.824 59.178 61.300 -0.497 0.000 1.396 236 I CB -0.113 37.536 38.000 -0.584 0.000 1.355 236 I HN 0.442 8.652 8.210 0.000 0.000 0.601 237 P HA -0.025 4.395 4.420 0.000 0.000 0.266 237 P C -0.388 176.728 177.300 -0.308 0.000 1.193 237 P CA 0.502 63.376 63.100 -0.376 0.000 0.770 237 P CB 0.140 31.498 31.700 -0.570 0.000 0.836 238 Y N 1.352 121.592 120.300 -0.099 0.000 2.497 238 Y HA -0.175 4.354 4.550 -0.034 0.000 0.292 238 Y C 2.398 178.215 175.900 -0.138 0.000 1.137 238 Y CA 0.657 58.710 58.100 -0.079 0.000 1.285 238 Y CB -0.473 37.956 38.460 -0.051 0.000 0.991 238 Y HN 0.371 8.651 8.280 0.000 0.000 0.556 239 R N -0.325 120.073 120.500 -0.169 0.000 2.193 239 R HA -0.138 4.182 4.340 -0.035 0.000 0.229 239 R C -0.489 175.554 176.300 -0.428 0.000 1.110 239 R CA 0.789 56.693 56.100 -0.327 0.000 0.988 239 R CB -0.842 29.166 30.300 -0.487 0.000 0.871 239 R HN 0.240 8.510 8.270 0.000 0.000 0.458 240 Y N 2.359 122.591 120.300 -0.114 0.000 2.308 240 Y HA 0.138 4.667 4.550 -0.034 0.000 0.329 240 Y C 0.890 176.749 175.900 -0.068 0.000 1.111 240 Y CA -0.752 57.281 58.100 -0.111 0.000 1.179 240 Y CB 1.265 39.613 38.460 -0.186 0.000 1.201 240 Y HN 0.069 8.349 8.280 0.000 0.000 0.483 241 S N 0.603 116.367 115.700 0.107 0.000 2.573 241 S HA -0.042 4.407 4.470 -0.035 0.000 0.277 241 S C 0.585 175.213 174.600 0.047 0.000 1.346 241 S CA -0.584 57.652 58.200 0.060 0.000 1.034 241 S CB 0.738 63.967 63.200 0.048 0.000 0.879 241 S HN 0.702 9.012 8.310 0.000 0.000 0.528 242 D N 1.583 122.008 120.400 0.042 0.000 2.182 242 D HA -0.077 4.542 4.640 -0.035 0.000 0.201 242 D C 1.754 178.063 176.300 0.016 0.000 0.986 242 D CA 1.494 55.514 54.000 0.033 0.000 0.847 242 D CB -0.272 40.550 40.800 0.037 0.000 0.942 242 D HN 0.754 9.124 8.370 0.000 0.000 0.467 243 E N 0.099 120.308 120.200 0.015 0.000 2.072 243 E HA -0.110 4.219 4.350 -0.035 0.000 0.191 243 E C 1.901 178.490 176.600 -0.017 0.000 0.985 243 E CA 0.254 56.656 56.400 0.003 0.000 0.801 243 E CB -0.242 29.463 29.700 0.008 0.000 0.750 243 E HN 0.151 8.511 8.360 0.000 0.000 0.452 244 L N 1.116 122.325 121.223 -0.022 0.000 2.056 244 L HA -0.116 4.203 4.340 -0.035 0.000 0.207 244 L C 1.844 178.664 176.870 -0.083 0.000 1.078 244 L CA 1.883 56.685 54.840 -0.064 0.000 0.749 244 L CB -0.756 41.265 42.059 -0.063 0.000 0.901 244 L HN 0.086 8.316 8.230 0.000 0.000 0.433 245 N N -0.556 118.109 118.700 -0.057 0.000 2.149 245 N HA -0.260 4.459 4.740 -0.035 0.000 0.188 245 N C 1.950 177.444 175.510 -0.025 0.000 1.019 245 N CA 1.508 54.523 53.050 -0.059 0.000 0.857 245 N CB -0.252 38.215 38.487 -0.033 0.000 0.997 245 N HN 0.461 8.841 8.380 0.000 0.000 0.426 246 E N 0.485 120.677 120.200 -0.013 0.000 2.077 246 E HA -0.174 4.156 4.350 -0.035 0.000 0.193 246 E C 2.020 178.613 176.600 -0.013 0.000 0.989 246 E CA 0.841 57.241 56.400 -0.001 0.000 0.800 246 E CB -0.291 29.410 29.700 0.002 0.000 0.746 246 E HN 0.583 8.943 8.360 0.000 0.000 0.452 247 I N 0.386 120.935 120.570 -0.036 0.000 2.286 247 I HA -0.229 3.920 4.170 -0.035 0.000 0.245 247 I C 2.350 178.425 176.117 -0.071 0.000 1.104 247 I CA 0.680 61.952 61.300 -0.047 0.000 1.397 247 I CB -0.002 37.963 38.000 -0.058 0.000 1.072 247 I HN 0.087 8.297 8.210 0.000 0.000 0.417 248 I N 0.384 120.893 120.570 -0.103 0.000 2.208 248 I HA -0.313 3.836 4.170 -0.035 0.000 0.245 248 I C 2.376 178.411 176.117 -0.136 0.000 1.097 248 I CA 1.750 62.959 61.300 -0.151 0.000 1.363 248 I CB -0.668 37.219 38.000 -0.188 0.000 1.051 248 I HN 0.226 8.436 8.210 0.000 0.000 0.413 249 T N 0.469 115.002 114.554 -0.034 0.000 2.788 249 T HA -0.134 4.195 4.350 -0.035 0.000 0.268 249 T C 2.030 176.772 174.700 0.069 0.000 1.044 249 T CA 1.026 63.181 62.100 0.093 0.000 1.139 249 T CB -0.154 68.823 68.868 0.182 0.000 0.867 249 T HN 0.193 8.433 8.240 0.000 0.000 0.454 250 R N 1.025 121.540 120.500 0.025 0.000 2.096 250 R HA 0.120 4.439 4.340 -0.035 0.000 0.235 250 R C 2.354 178.670 176.300 0.027 0.000 1.127 250 R CA 1.089 57.210 56.100 0.034 0.000 0.968 250 R CB -0.753 29.560 30.300 0.021 0.000 0.861 250 R HN 0.485 8.755 8.270 0.000 0.000 0.440 251 M N 0.298 119.876 119.600 -0.037 0.000 2.374 251 M HA -0.075 4.385 4.480 -0.035 0.000 0.264 251 M C 1.360 177.602 176.300 -0.097 0.000 1.067 251 M CA 1.198 56.463 55.300 -0.059 0.000 1.103 251 M CB -0.082 32.438 32.600 -0.132 0.000 1.402 251 M HN -0.019 8.271 8.290 0.000 0.000 0.444 252 L N -0.026 121.087 121.223 -0.183 0.000 2.728 252 L HA 0.140 4.459 4.340 -0.035 0.000 0.235 252 L C 0.635 177.610 176.870 0.175 0.000 1.197 252 L CA -0.459 54.172 54.840 -0.348 0.000 0.992 252 L CB -0.698 40.960 42.059 -0.669 0.000 1.263 252 L HN 0.232 8.462 8.230 0.000 0.000 0.484 253 N N 0.998 119.842 118.700 0.241 0.000 2.492 253 N HA 0.033 4.753 4.740 -0.035 0.000 0.260 253 N C 1.099 176.820 175.510 0.350 0.000 1.215 253 N CA 0.058 53.271 53.050 0.272 0.000 0.923 253 N CB 1.373 39.974 38.487 0.190 0.000 1.092 253 N HN 0.229 8.609 8.380 0.000 0.000 0.448 254 L N 1.847 123.222 121.223 0.254 0.000 2.131 254 L HA -0.088 4.231 4.340 -0.035 0.000 0.210 254 L C 0.744 177.574 176.870 -0.067 0.000 1.092 254 L CA 1.033 55.941 54.840 0.113 0.000 0.759 254 L CB -0.203 41.893 42.059 0.062 0.000 0.903 254 L HN 0.320 8.550 8.230 0.000 0.000 0.435 255 K N 1.211 121.523 120.400 -0.146 0.000 2.276 255 K HA 0.044 4.343 4.320 -0.035 0.000 0.285 255 K C 0.448 176.791 176.600 -0.428 0.000 1.062 255 K CA -0.156 55.833 56.287 -0.496 0.000 0.918 255 K CB 1.271 33.140 32.500 -1.052 0.000 1.055 255 K HN 0.055 8.305 8.250 0.000 0.000 0.477 256 D N 2.139 122.339 120.400 -0.332 0.000 2.149 256 D HA -0.261 4.358 4.640 -0.035 0.000 0.198 256 D C 1.442 177.672 176.300 -0.117 0.000 0.990 256 D CA 1.659 55.568 54.000 -0.151 0.000 0.839 256 D CB -0.632 40.111 40.800 -0.094 0.000 0.948 256 D HN 0.721 9.091 8.370 0.000 0.000 0.460 257 Y N -1.272 118.968 120.300 -0.099 0.000 2.616 257 Y HA 0.133 4.661 4.550 -0.036 0.000 0.296 257 Y C 1.613 177.503 175.900 -0.016 0.000 1.154 257 Y CA 0.556 58.602 58.100 -0.090 0.000 1.325 257 Y CB -0.572 37.806 38.460 -0.137 0.000 1.007 257 Y HN -0.002 8.278 8.280 0.000 0.000 0.542 258 H N 0.808 119.828 119.070 -0.083 0.000 2.562 258 H HA 0.274 4.809 4.556 -0.034 0.000 0.267 258 H C 0.384 175.727 175.328 0.026 0.000 0.959 258 H CA -0.162 55.894 56.048 0.012 0.000 1.204 258 H CB 0.117 29.851 29.762 -0.047 0.000 1.430 258 H HN 0.319 8.599 8.280 0.000 0.000 0.545 259 R N 2.132 122.707 120.500 0.125 0.000 2.594 259 R HA 0.125 4.444 4.340 -0.035 0.000 0.272 259 R C -2.238 174.112 176.300 0.085 0.000 1.074 259 R CA -1.527 54.632 56.100 0.098 0.000 1.105 259 R CB -0.036 30.319 30.300 0.092 0.000 1.008 259 R HN 0.104 8.374 8.270 0.000 0.000 0.472 260 P HA -0.007 4.413 4.420 0.000 0.000 0.275 260 P C -0.449 176.881 177.300 0.051 0.000 1.227 260 P CA -0.278 62.854 63.100 0.053 0.000 0.781 260 P CB 1.111 32.829 31.700 0.031 0.000 0.906 261 S N 1.337 117.068 115.700 0.053 0.000 2.608 261 S HA 0.077 4.527 4.470 -0.035 0.000 0.261 261 S C 1.546 176.178 174.600 0.054 0.000 1.314 261 S CA -0.603 57.630 58.200 0.054 0.000 0.992 261 S CB -0.169 63.063 63.200 0.053 0.000 0.935 261 S HN 0.222 8.532 8.310 0.000 0.000 0.564 262 V N 1.610 121.567 119.914 0.072 0.000 2.282 262 V HA -0.198 3.901 4.120 -0.035 0.000 0.249 262 V C 2.666 178.789 176.094 0.048 0.000 1.057 262 V CA 2.529 64.865 62.300 0.061 0.000 1.032 262 V CB -1.345 30.527 31.823 0.083 0.000 0.645 262 V HN 0.875 9.065 8.190 0.000 0.000 0.447 263 E N -0.005 120.228 120.200 0.054 0.000 2.051 263 E HA -0.213 4.116 4.350 -0.035 0.000 0.192 263 E C 2.194 178.819 176.600 0.042 0.000 0.991 263 E CA 1.483 57.912 56.400 0.049 0.000 0.799 263 E CB -0.277 29.452 29.700 0.049 0.000 0.748 263 E HN 0.677 9.037 8.360 0.000 0.000 0.449 264 E N 0.065 120.288 120.200 0.040 0.000 2.106 264 E HA -0.138 4.191 4.350 -0.035 0.000 0.192 264 E C 2.070 178.684 176.600 0.024 0.000 0.984 264 E CA 0.744 57.164 56.400 0.034 0.000 0.806 264 E CB -0.125 29.598 29.700 0.038 0.000 0.750 264 E HN 0.263 8.623 8.360 0.000 0.000 0.458 265 I N 0.889 121.469 120.570 0.018 0.000 2.179 265 I HA -0.292 3.857 4.170 -0.035 0.000 0.242 265 I C 2.194 178.311 176.117 -0.001 0.000 1.088 265 I CA 1.142 62.440 61.300 -0.002 0.000 1.357 265 I CB -0.174 37.817 38.000 -0.015 0.000 1.051 265 I HN 0.116 8.326 8.210 0.000 0.000 0.409 266 L N 0.127 121.361 121.223 0.017 0.000 2.362 266 L HA -0.144 4.176 4.340 -0.035 0.000 0.219 266 L C 2.029 178.930 176.870 0.051 0.000 1.134 266 L CA 0.991 55.853 54.840 0.036 0.000 0.807 266 L CB -0.489 41.608 42.059 0.063 0.000 0.927 266 L HN 0.272 8.502 8.230 0.000 0.000 0.447 267 E N -0.424 119.800 120.200 0.040 0.000 2.482 267 E HA -0.055 4.275 4.350 -0.035 0.000 0.196 267 E C 0.660 177.281 176.600 0.035 0.000 1.047 267 E CA -0.275 56.150 56.400 0.041 0.000 0.869 267 E CB 0.019 29.740 29.700 0.036 0.000 0.836 267 E HN 0.327 8.687 8.360 0.000 0.000 0.520 268 N N 1.662 120.376 118.700 0.023 0.000 2.454 268 N HA -0.030 4.690 4.740 -0.035 0.000 0.260 268 N C -1.895 173.631 175.510 0.027 0.000 1.218 268 N CA -1.141 51.918 53.050 0.015 0.000 0.904 268 N CB 1.088 39.570 38.487 -0.008 0.000 1.065 268 N HN -0.176 8.204 8.380 0.000 0.000 0.462 269 P HA -0.067 4.353 4.420 0.000 0.000 0.221 269 P C 1.425 178.759 177.300 0.058 0.000 1.145 269 P CA 0.814 63.941 63.100 0.046 0.000 0.795 269 P CB 0.278 32.001 31.700 0.039 0.000 0.775 270 L N -1.500 119.742 121.223 0.031 0.000 2.131 270 L HA -0.101 4.218 4.340 -0.035 0.000 0.210 270 L C 1.244 178.140 176.870 0.044 0.000 1.092 270 L CA 0.798 55.651 54.840 0.023 0.000 0.759 270 L CB -0.480 41.550 42.059 -0.049 0.000 0.903 270 L HN -0.037 8.193 8.230 0.000 0.000 0.435 271 I N 0.831 121.427 120.570 0.043 0.000 2.325 271 I HA 0.171 4.321 4.170 -0.035 0.000 0.291 271 I C -0.290 175.977 176.117 0.250 0.000 1.019 271 I CA -0.012 61.343 61.300 0.091 0.000 1.302 271 I CB 0.767 38.773 38.000 0.009 0.000 1.401 271 I HN 0.032 8.242 8.210 0.000 0.000 0.485 272 L N 4.933 126.409 121.223 0.423 0.000 2.279 272 L HA 0.394 4.713 4.340 -0.035 0.000 0.262 272 L C 1.409 178.421 176.870 0.237 0.000 1.019 272 L CA -0.746 54.241 54.840 0.244 0.000 0.823 272 L CB 1.320 43.493 42.059 0.190 0.000 1.358 272 L HN 0.471 8.701 8.230 0.000 0.000 0.432 273 E N 0.963 121.260 120.200 0.161 0.000 2.070 273 E HA -0.266 4.063 4.350 -0.035 0.000 0.197 273 E C 1.774 178.527 176.600 0.255 0.000 1.004 273 E CA 2.083 58.549 56.400 0.109 0.000 0.805 273 E CB -0.092 29.635 29.700 0.046 0.000 0.744 273 E HN 0.773 9.133 8.360 0.000 0.000 0.451 274 H N -1.580 117.542 119.070 0.085 0.000 2.518 274 H HA -0.082 4.454 4.556 -0.034 0.000 0.289 274 H C 1.082 176.477 175.328 0.112 0.000 1.051 274 H CA 1.405 57.491 56.048 0.063 0.000 1.280 274 H CB -0.767 28.903 29.762 -0.153 0.000 1.380 274 H HN 0.384 8.664 8.280 0.000 0.000 0.566 275 H N -0.373 118.568 119.070 -0.215 0.000 2.548 275 H HA 0.086 4.621 4.556 -0.035 0.000 0.268 275 H C 0.312 175.597 175.328 -0.072 0.000 0.975 275 H CA 0.131 56.062 56.048 -0.196 0.000 1.195 275 H CB 0.127 29.706 29.762 -0.305 0.000 1.397 275 H HN 0.436 8.716 8.280 0.000 0.000 0.572 276 H N -0.625 118.491 119.070 0.077 0.000 2.509 276 H HA 0.116 4.651 4.556 -0.036 0.000 0.360 276 H C 0.399 175.677 175.328 -0.083 0.000 1.398 276 H CA -0.533 55.510 56.048 -0.009 0.000 1.429 276 H CB 0.321 30.012 29.762 -0.119 0.000 1.611 276 H HN 0.413 8.693 8.280 0.000 0.000 0.606 277 H N -1.280 117.800 119.070 0.016 0.000 2.771 277 H HA 0.288 4.823 4.556 -0.034 0.000 0.364 277 H C -0.926 174.210 175.328 -0.321 0.000 1.133 277 H CA -0.279 55.762 56.048 -0.012 0.000 1.423 277 H CB 0.279 30.130 29.762 0.148 0.000 1.425 277 H HN 0.585 8.865 8.280 0.000 0.000 0.606 278 H N 1.160 120.267 119.070 0.060 0.000 3.018 278 H HA 0.304 4.840 4.556 -0.034 0.000 0.334 278 H C -0.860 174.502 175.328 0.056 0.000 0.983 278 H CA -0.643 55.423 56.048 0.031 0.000 1.363 278 H CB 0.657 30.416 29.762 -0.005 0.000 1.668 278 H HN 0.746 9.026 8.280 0.000 0.000 0.513 279 H N 0.000 119.212 119.070 0.236 0.000 2.539 279 H HA 0.000 4.536 4.556 -0.034 0.000 0.296 279 H CA 0.000 56.161 56.048 0.188 0.000 1.023 279 H CB 0.000 29.870 29.762 0.179 0.000 1.292 279 H HN 0.000 8.280 8.280 0.000 0.000 0.496