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 2ijy_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQFKEGEHYQ VLKTPASSSP VVSEFFSFYC PHCNTFEPII AQLKQQLPEG DATA SEQUENCE AKFQKNHVSF MGGNMGQAMS KAYATMIALE VEDKMVPVMF NRIHTLRKPP DATA SEQUENCE KDEQELRQIF LDEGIDAAKF DAAYNGFAVD SMVRRFDKQF QDSGLTGVPA DATA SEQUENCE VVVNNRYLVQ GQSAKSLDEY FDLVNYLLTL K 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 A HA 0.000 4.222 4.320 -0.164 0.000 0.244 1 A C 0.000 177.449 177.584 -0.226 0.000 1.274 1 A CA 0.000 51.949 52.037 -0.147 0.000 0.836 1 A CB 0.000 18.915 19.000 -0.142 0.000 0.831 2 Q N 0.906 120.549 119.800 -0.262 0.000 2.181 2 Q HA -0.256 3.865 4.340 -0.364 0.000 0.205 2 Q C -0.326 175.009 176.000 -1.110 0.000 0.980 2 Q CA 1.663 57.123 55.803 -0.572 0.000 0.862 2 Q CB 0.555 28.863 28.738 -0.717 0.000 0.905 2 Q HN 0.510 8.714 8.270 -0.111 0.000 0.429 3 F N -2.888 116.622 119.950 -0.733 0.000 2.420 3 F HA 0.059 2.974 4.527 -2.686 0.000 0.342 3 F C -0.445 175.075 175.800 -0.467 0.000 1.113 3 F CA -0.790 56.583 58.000 -1.045 0.000 1.059 3 F CB 1.207 39.932 39.000 -0.457 0.000 1.128 3 F HN -0.530 7.583 8.300 -0.279 0.020 0.475 4 K N 1.248 121.569 120.400 -0.130 0.000 2.477 4 K HA 0.313 4.713 4.320 0.133 0.000 0.255 4 K C -1.522 174.868 176.600 -0.351 0.000 0.952 4 K CA -1.708 54.590 56.287 0.019 0.000 0.826 4 K CB 4.341 36.812 32.500 -0.047 0.000 1.331 4 K HN 0.158 8.261 8.250 -0.246 0.000 0.437 5 E N 2.609 122.511 120.200 -0.496 0.000 2.384 5 E HA -0.496 2.115 4.350 -3.088 -0.114 0.266 5 E C 1.027 177.313 176.600 -0.525 0.000 1.012 5 E CA 1.675 57.386 56.400 -1.149 0.000 0.901 5 E CB 0.125 29.736 29.700 -0.149 0.000 0.967 5 E HN 0.142 8.513 8.360 0.018 0.000 0.435 6 G N 7.395 115.901 108.800 -0.490 0.000 2.194 6 G HA2 -0.348 3.503 3.960 -0.181 0.000 0.236 6 G HA3 -0.348 3.510 3.960 -0.170 0.000 0.236 6 G C -0.474 174.331 174.900 -0.159 0.000 0.987 6 G CA 0.319 45.285 45.100 -0.224 0.000 0.635 6 G HN 1.209 8.972 8.290 -0.673 0.124 0.520 7 E N -0.965 119.138 120.200 -0.161 0.000 2.713 7 E HA 0.090 4.394 4.350 -0.076 0.000 0.201 7 E C -0.150 176.423 176.600 -0.046 0.000 0.935 7 E CA 0.580 56.952 56.400 -0.047 0.000 1.273 7 E CB 1.998 31.753 29.700 0.091 0.000 1.221 7 E HN -0.606 7.496 8.360 -0.295 0.082 0.547 8 H N -4.245 114.805 119.070 -0.034 0.000 2.562 8 H HA 0.186 4.860 4.556 0.196 0.000 0.267 8 H C -0.667 174.849 175.328 0.313 0.000 0.959 8 H CA 2.048 58.228 56.048 0.220 0.000 1.204 8 H CB 2.456 32.502 29.762 0.473 0.000 1.430 8 H HN -0.323 8.117 8.280 0.267 0.000 0.545 9 Y N -6.987 113.454 120.300 0.236 0.000 2.725 9 Y HA 0.607 5.367 4.550 0.121 -0.138 0.333 9 Y C -3.119 172.836 175.900 0.091 0.000 1.242 9 Y CA -2.029 56.164 58.100 0.155 0.000 1.059 9 Y CB 1.314 39.897 38.460 0.205 0.000 1.306 9 Y HN -0.782 7.272 8.280 -0.322 0.033 0.454 10 Q N -2.736 117.165 119.800 0.168 0.000 2.433 10 Q HA 0.574 4.844 4.340 -0.116 0.000 0.279 10 Q C -1.668 174.325 176.000 -0.012 0.000 1.105 10 Q CA -1.963 53.838 55.803 -0.002 0.000 0.815 10 Q CB 4.869 33.580 28.738 -0.044 0.000 1.403 10 Q HN 0.022 8.455 8.270 0.273 0.000 0.435 11 V N 2.799 122.612 119.914 -0.168 0.000 2.370 11 V HA 0.083 3.964 4.120 -0.611 -0.128 0.279 11 V C 0.075 176.019 176.094 -0.250 0.000 1.029 11 V CA -0.045 62.017 62.300 -0.398 0.000 0.870 11 V CB 0.574 32.112 31.823 -0.475 0.000 0.984 11 V HN 0.492 8.595 8.190 -0.145 0.000 0.451 12 L N 7.794 128.879 121.223 -0.230 0.000 2.395 12 L HA -0.071 4.180 4.340 -0.149 0.000 0.218 12 L C 0.191 176.977 176.870 -0.139 0.000 1.130 12 L CA 0.994 55.737 54.840 -0.161 0.000 0.826 12 L CB 0.087 42.058 42.059 -0.147 0.000 0.941 12 L HN 0.511 8.582 8.230 -0.265 0.000 0.451 13 K N -4.154 116.153 120.400 -0.156 0.000 3.349 13 K HA -0.346 3.919 4.320 -0.092 0.000 0.310 13 K C -0.884 175.678 176.600 -0.064 0.000 1.267 13 K CA 0.624 56.853 56.287 -0.098 0.000 0.920 13 K CB -1.521 30.929 32.500 -0.083 0.000 1.240 13 K HN -0.225 7.848 8.250 -0.227 0.040 0.453 14 T N -2.703 111.811 114.554 -0.067 0.000 2.748 14 T HA 0.009 4.332 4.350 -0.045 0.000 0.304 14 T C -1.726 172.966 174.700 -0.014 0.000 1.041 14 T CA -1.540 60.535 62.100 -0.043 0.000 1.033 14 T CB -0.276 68.562 68.868 -0.051 0.000 0.995 14 T HN -0.499 7.623 8.240 -0.089 0.064 0.536 15 P HA -0.230 4.193 4.420 0.005 0.000 0.257 15 P C -1.483 175.827 177.300 0.018 0.000 1.269 15 P CA 0.255 63.357 63.100 0.004 0.000 1.122 15 P CB -1.185 30.516 31.700 0.001 0.000 1.285 16 A N 4.887 127.726 122.820 0.031 0.000 2.425 16 A HA 0.022 4.629 4.320 0.056 -0.253 0.242 16 A C -0.064 177.537 177.584 0.028 0.000 1.077 16 A CA -0.597 51.468 52.037 0.048 0.000 0.781 16 A CB 1.315 20.361 19.000 0.076 0.000 1.020 16 A HN -0.358 7.810 8.150 0.030 0.000 0.494 17 S N 1.328 117.041 115.700 0.022 0.000 2.610 17 S HA 0.086 4.561 4.470 0.009 0.000 0.273 17 S C 1.067 175.669 174.600 0.003 0.000 1.274 17 S CA -0.605 57.601 58.200 0.009 0.000 1.023 17 S CB 1.778 64.981 63.200 0.005 0.000 0.962 17 S HN -0.296 7.922 8.310 0.027 0.109 0.523 18 S N 1.322 117.023 115.700 0.001 0.000 2.423 18 S HA -0.225 4.244 4.470 -0.001 0.000 0.231 18 S C 0.503 175.098 174.600 -0.009 0.000 1.014 18 S CA 1.846 60.045 58.200 -0.002 0.000 0.965 18 S CB 0.196 63.396 63.200 -0.001 0.000 0.785 18 S HN 0.491 8.802 8.310 0.002 0.000 0.495 19 S N 0.586 116.281 115.700 -0.010 0.000 2.726 19 S HA 0.375 4.833 4.470 -0.020 0.000 0.308 19 S C -2.513 172.073 174.600 -0.024 0.000 1.115 19 S CA -3.206 54.984 58.200 -0.015 0.000 0.965 19 S CB 1.024 64.220 63.200 -0.007 0.000 1.145 19 S HN -0.699 7.585 8.310 -0.006 0.023 0.532 20 P HA 0.001 4.384 4.420 -0.061 0.000 0.276 20 P C -1.970 175.314 177.300 -0.026 0.000 1.253 20 P CA 0.225 63.298 63.100 -0.044 0.000 0.766 20 P CB 0.161 31.829 31.700 -0.053 0.000 0.845 21 V N 5.037 124.931 119.914 -0.033 0.000 2.808 21 V HA 0.600 4.846 4.120 -0.013 -0.134 0.308 21 V C -2.352 173.698 176.094 -0.074 0.000 1.099 21 V CA -2.385 59.894 62.300 -0.035 0.000 0.920 21 V CB 4.124 35.931 31.823 -0.027 0.000 1.014 21 V HN 0.022 8.186 8.190 -0.043 0.000 0.425 22 V N 8.697 128.525 119.914 -0.144 0.000 2.448 22 V HA 0.743 4.996 4.120 -0.124 -0.207 0.295 22 V C -1.404 174.297 176.094 -0.654 0.000 1.025 22 V CA -2.413 59.737 62.300 -0.249 0.000 0.859 22 V CB 2.296 34.084 31.823 -0.058 0.000 0.988 22 V HN 0.708 8.719 8.190 -0.122 0.106 0.431 23 S N 5.151 120.629 115.700 -0.369 0.000 2.482 23 S HA 0.683 4.864 4.470 -0.708 -0.135 0.303 23 S C -1.229 173.237 174.600 -0.223 0.000 1.091 23 S CA -1.951 55.988 58.200 -0.435 0.000 1.057 23 S CB 2.515 65.591 63.200 -0.207 0.000 1.031 23 S HN 0.662 8.900 8.310 -0.121 0.000 0.485 24 E N 4.928 124.988 120.200 -0.234 0.000 2.151 24 E HA 0.597 5.299 4.350 0.358 -0.137 0.275 24 E C -1.825 174.812 176.600 0.061 0.000 0.936 24 E CA -1.935 54.566 56.400 0.168 0.000 0.777 24 E CB 2.978 32.886 29.700 0.346 0.000 1.108 24 E HN -0.107 8.045 8.360 -0.347 0.000 0.401 25 F N 4.521 124.640 119.950 0.281 0.000 2.404 25 F HA 0.587 5.314 4.527 -0.012 -0.207 0.354 25 F C -0.887 175.029 175.800 0.194 0.000 1.122 25 F CA -1.060 57.048 58.000 0.181 0.000 1.080 25 F CB 1.095 40.286 39.000 0.319 0.000 1.131 25 F HN 0.491 9.271 8.300 0.801 0.000 0.471 26 F N 0.678 120.659 119.950 0.052 0.000 2.664 26 F HA 0.702 5.209 4.527 -0.033 0.000 0.317 26 F C -2.683 172.994 175.800 -0.205 0.000 1.108 26 F CA -2.186 55.752 58.000 -0.104 0.000 0.957 26 F CB 3.374 42.219 39.000 -0.258 0.000 1.365 26 F HN 0.427 8.138 8.300 -0.983 0.000 0.475 27 S N -1.302 114.351 115.700 -0.078 0.000 2.557 27 S HA 0.437 4.781 4.470 -0.210 0.000 0.291 27 S C 0.517 175.167 174.600 0.085 0.000 1.116 27 S CA -2.767 55.368 58.200 -0.108 0.000 0.992 27 S CB 2.308 65.418 63.200 -0.150 0.000 1.028 27 S HN 0.309 8.616 8.310 -0.005 0.000 0.484 28 F N 6.288 126.461 119.950 0.372 0.000 2.494 28 F HA -0.197 4.817 4.527 0.812 0.000 0.298 28 F C 0.114 175.944 175.800 0.050 0.000 1.106 28 F CA 2.320 60.504 58.000 0.307 0.000 1.452 28 F CB -0.215 38.731 39.000 -0.091 0.000 1.085 28 F HN 0.728 9.139 8.300 0.186 0.000 0.569 29 Y N -3.842 116.607 120.300 0.247 0.000 2.493 29 Y HA -0.007 4.645 4.550 0.170 0.000 0.275 29 Y C -0.161 175.783 175.900 0.073 0.000 1.183 29 Y CA 0.727 58.913 58.100 0.143 0.000 1.258 29 Y CB 0.193 38.704 38.460 0.085 0.000 1.108 29 Y HN -0.873 7.552 8.280 0.355 0.068 0.521 30 C N 1.602 120.971 119.300 0.114 0.000 2.356 30 C HA 0.387 4.869 4.460 0.037 0.000 0.324 30 C C -1.783 173.074 174.990 -0.222 0.000 1.167 30 C CA -3.786 55.149 59.018 -0.138 0.000 1.420 30 C CB 1.648 29.144 27.740 -0.408 0.000 2.036 30 C HN -0.596 7.628 8.230 0.111 0.072 0.435 31 P HA -0.156 4.441 4.420 0.295 0.000 0.215 31 P C 0.746 178.091 177.300 0.075 0.000 1.157 31 P CA 2.457 65.709 63.100 0.253 0.000 0.868 31 P CB 0.466 32.410 31.700 0.406 0.000 0.788 32 H N -2.959 116.191 119.070 0.133 0.000 2.357 32 H HA -0.259 4.332 4.556 0.058 0.000 0.301 32 H C 1.558 176.883 175.328 -0.005 0.000 1.082 32 H CA 3.218 59.300 56.048 0.056 0.000 1.342 32 H CB -1.764 28.037 29.762 0.066 0.000 1.389 32 H HN 0.316 8.727 8.280 0.219 0.000 0.511 33 C N 1.469 120.370 119.300 -0.665 0.000 2.432 33 C HA -0.343 4.073 4.460 -0.074 0.000 0.277 33 C C 1.522 176.358 174.990 -0.255 0.000 1.249 33 C CA 4.267 63.112 59.018 -0.288 0.000 1.725 33 C CB -0.130 27.400 27.740 -0.351 0.000 2.028 33 C HN -0.146 7.010 8.230 -1.788 0.000 0.477 34 N N -0.863 117.613 118.700 -0.373 0.000 2.149 34 N HA -0.241 3.985 4.740 -0.856 0.000 0.188 34 N C 1.451 176.665 175.510 -0.494 0.000 1.019 34 N CA 2.731 55.458 53.050 -0.538 0.000 0.857 34 N CB -0.682 37.631 38.487 -0.290 0.000 0.997 34 N HN 0.504 8.546 8.380 -0.361 0.121 0.426 35 T N 0.244 114.502 114.554 -0.493 0.000 2.746 35 T HA -0.278 3.772 4.350 -0.500 0.000 0.267 35 T C 0.632 175.213 174.700 -0.198 0.000 1.039 35 T CA 3.354 65.198 62.100 -0.426 0.000 1.142 35 T CB 0.151 68.797 68.868 -0.372 0.000 0.866 35 T HN -0.248 7.609 8.240 -0.475 0.098 0.444 36 F N 2.186 121.989 119.950 -0.244 0.000 2.171 36 F HA -0.379 4.057 4.527 -0.151 0.000 0.300 36 F C 0.957 176.633 175.800 -0.207 0.000 1.090 36 F CA 2.896 60.790 58.000 -0.177 0.000 1.293 36 F CB 0.136 39.069 39.000 -0.112 0.000 1.013 36 F HN -0.502 7.741 8.300 0.042 0.082 0.486 37 E N -0.222 119.847 120.200 -0.219 0.000 2.068 37 E HA -0.311 4.197 4.350 -0.239 -0.301 0.207 37 E C 0.269 176.637 176.600 -0.386 0.000 1.032 37 E CA 5.113 61.296 56.400 -0.361 0.000 0.839 37 E CB -2.307 27.007 29.700 -0.643 0.000 0.758 37 E HN -0.434 7.746 8.360 -0.167 0.080 0.457 38 P HA -0.252 4.030 4.420 -0.229 0.000 0.217 38 P C 1.660 178.771 177.300 -0.316 0.000 1.162 38 P CA 3.162 66.098 63.100 -0.274 0.000 0.901 38 P CB -0.577 30.991 31.700 -0.220 0.000 0.793 39 I N -3.722 116.584 120.570 -0.439 0.000 2.151 39 I HA -0.545 3.422 4.170 -0.339 0.000 0.243 39 I C 1.948 177.799 176.117 -0.444 0.000 1.080 39 I CA 3.682 64.682 61.300 -0.501 0.000 1.339 39 I CB -0.454 37.040 38.000 -0.843 0.000 1.039 39 I HN -0.299 7.546 8.210 -0.473 0.081 0.409 40 I N -0.670 119.595 120.570 -0.509 0.000 2.208 40 I HA -0.511 3.615 4.170 -0.073 0.000 0.245 40 I C 1.849 177.839 176.117 -0.212 0.000 1.097 40 I CA 1.800 62.978 61.300 -0.203 0.000 1.363 40 I CB -1.916 36.047 38.000 -0.062 0.000 1.051 40 I HN -0.380 7.333 8.210 -0.691 0.082 0.413 41 A N -0.270 122.397 122.820 -0.254 0.000 1.940 41 A HA -0.480 3.636 4.320 -0.340 0.000 0.219 41 A C 2.022 179.480 177.584 -0.211 0.000 1.176 41 A CA 3.332 55.213 52.037 -0.259 0.000 0.631 41 A CB -0.802 18.075 19.000 -0.205 0.000 0.814 41 A HN -0.030 7.862 8.150 -0.269 0.096 0.446 42 Q N -1.679 118.017 119.800 -0.174 0.000 2.096 42 Q HA -0.375 3.895 4.340 -0.116 0.000 0.204 42 Q C 2.531 178.498 176.000 -0.055 0.000 0.982 42 Q CA 2.889 58.621 55.803 -0.118 0.000 0.850 42 Q CB -0.181 28.485 28.738 -0.121 0.000 0.901 42 Q HN -0.421 7.612 8.270 -0.203 0.115 0.422 43 L N 0.041 121.265 121.223 0.001 0.000 2.083 43 L HA -0.345 4.239 4.340 0.408 0.000 0.209 43 L C 1.291 178.196 176.870 0.059 0.000 1.083 43 L CA 3.118 58.069 54.840 0.186 0.000 0.752 43 L CB -0.379 41.816 42.059 0.228 0.000 0.899 43 L HN -0.211 7.882 8.230 -0.055 0.103 0.433 44 K N -2.283 117.984 120.400 -0.222 0.000 2.009 44 K HA -0.463 3.604 4.320 -0.421 0.000 0.210 44 K C 1.821 178.344 176.600 -0.129 0.000 1.049 44 K CA 3.348 59.418 56.287 -0.362 0.000 0.929 44 K CB -0.360 31.784 32.500 -0.593 0.000 0.714 44 K HN -0.275 7.702 8.250 -0.292 0.098 0.440 45 Q N -3.451 116.282 119.800 -0.110 0.000 2.124 45 Q HA -0.239 4.062 4.340 -0.064 0.000 0.202 45 Q C 1.625 177.605 176.000 -0.034 0.000 0.977 45 Q CA 1.987 57.749 55.803 -0.069 0.000 0.850 45 Q CB 0.266 28.953 28.738 -0.086 0.000 0.901 45 Q HN -0.681 7.504 8.270 -0.142 0.000 0.429 46 Q N -3.010 116.783 119.800 -0.012 0.000 2.187 46 Q HA -0.160 4.061 4.340 -0.199 0.000 0.199 46 Q C 1.037 177.221 176.000 0.308 0.000 0.957 46 Q CA 0.928 56.683 55.803 -0.080 0.000 0.857 46 Q CB 0.859 29.373 28.738 -0.373 0.000 0.929 46 Q HN -0.575 7.600 8.270 -0.003 0.093 0.453 47 L N 0.762 122.249 121.223 0.439 0.000 2.529 47 L HA -0.200 4.332 4.340 0.321 0.000 0.287 47 L C -1.781 175.207 176.870 0.197 0.000 1.241 47 L CA -0.696 54.334 54.840 0.318 0.000 0.857 47 L CB -0.258 41.886 42.059 0.142 0.000 1.113 47 L HN 0.077 8.278 8.230 0.304 0.212 0.504 48 P HA 0.045 4.515 4.420 0.083 0.000 0.271 48 P C 0.346 177.673 177.300 0.045 0.000 1.216 48 P CA -0.696 62.448 63.100 0.073 0.000 0.776 48 P CB 0.739 32.451 31.700 0.021 0.000 0.881 49 E N 3.536 123.755 120.200 0.032 0.000 2.160 49 E HA -0.420 3.949 4.350 0.031 0.000 0.195 49 E C 1.164 177.777 176.600 0.022 0.000 0.991 49 E CA 2.395 58.810 56.400 0.026 0.000 0.810 49 E CB -0.401 29.309 29.700 0.016 0.000 0.742 49 E HN 0.340 8.718 8.360 0.029 0.000 0.466 50 G N -2.529 106.277 108.800 0.011 0.000 2.422 50 G HA2 -0.173 3.790 3.960 0.005 0.000 0.218 50 G HA3 -0.173 3.783 3.960 -0.008 0.000 0.218 50 G C -1.143 173.759 174.900 0.004 0.000 1.146 50 G CA 0.064 45.165 45.100 0.002 0.000 0.769 50 G HN -0.218 8.061 8.290 0.009 0.016 0.547 51 A N -0.147 122.675 122.820 0.004 0.000 2.425 51 A HA -0.087 4.228 4.320 -0.010 0.000 0.249 51 A C -0.731 176.885 177.584 0.052 0.000 1.084 51 A CA 0.090 52.132 52.037 0.008 0.000 0.781 51 A CB 0.438 19.432 19.000 -0.010 0.000 1.019 51 A HN -0.711 7.336 8.150 0.003 0.105 0.490 52 K N 1.821 122.254 120.400 0.055 0.000 2.098 52 K HA 0.261 4.647 4.320 0.110 0.000 0.258 52 K C -1.186 175.508 176.600 0.156 0.000 0.973 52 K CA -1.015 55.329 56.287 0.095 0.000 0.898 52 K CB 1.976 34.509 32.500 0.055 0.000 1.057 52 K HN 0.428 8.577 8.250 0.027 0.118 0.447 53 F N 0.813 120.780 119.950 0.029 0.000 2.598 53 F HA 0.562 5.306 4.527 0.033 -0.197 0.327 53 F C -1.535 174.301 175.800 0.059 0.000 1.057 53 F CA -1.815 56.209 58.000 0.039 0.000 0.957 53 F CB 4.240 43.264 39.000 0.038 0.000 1.278 53 F HN 0.056 8.515 8.300 0.265 0.000 0.484 54 Q N 1.795 121.210 119.800 -0.642 0.000 2.511 54 Q HA 0.381 4.751 4.340 0.051 0.000 0.289 54 Q C -2.526 173.318 176.000 -0.260 0.000 1.021 54 Q CA -1.551 54.118 55.803 -0.222 0.000 0.785 54 Q CB 4.881 33.509 28.738 -0.183 0.000 1.472 54 Q HN 1.053 8.143 8.270 -1.819 0.089 0.411 55 K N 0.603 121.020 120.400 0.029 0.000 2.371 55 K HA 0.244 4.594 4.320 0.050 0.000 0.251 55 K C -1.373 175.126 176.600 -0.168 0.000 0.934 55 K CA -1.226 55.091 56.287 0.051 0.000 0.798 55 K CB 2.346 34.978 32.500 0.219 0.000 1.204 55 K HN 0.066 8.404 8.250 0.146 0.000 0.427 56 N N 2.217 120.695 118.700 -0.369 0.000 2.260 56 N HA 0.259 4.441 4.740 -0.929 0.000 0.293 56 N C -2.203 172.566 175.510 -1.236 0.000 1.058 56 N CA -1.168 51.399 53.050 -0.804 0.000 0.824 56 N CB 3.618 41.442 38.487 -1.105 0.000 1.551 56 N HN 0.538 8.874 8.380 -0.074 0.000 0.475 57 H N 2.239 120.612 119.070 -1.161 0.000 2.489 57 H HA 0.642 4.124 4.556 -2.067 -0.166 0.343 57 H C -0.949 174.105 175.328 -0.457 0.000 1.086 57 H CA -2.411 52.903 56.048 -1.223 0.000 1.198 57 H CB 2.114 31.334 29.762 -0.903 0.000 1.490 57 H HN 0.245 7.341 8.280 -1.973 0.000 0.504 58 V N 0.746 120.496 119.914 -0.273 0.000 2.539 58 V HA 0.347 4.501 4.120 0.057 0.000 0.292 58 V C -0.393 175.646 176.094 -0.092 0.000 1.045 58 V CA -2.435 59.798 62.300 -0.111 0.000 0.945 58 V CB 1.367 32.998 31.823 -0.321 0.000 0.993 58 V HN -0.095 7.797 8.190 -0.496 0.000 0.464 59 S N 3.629 119.359 115.700 0.051 0.000 2.503 59 S HA 0.017 4.537 4.470 0.082 0.000 0.217 59 S C 1.753 176.342 174.600 -0.018 0.000 0.999 59 S CA 2.578 60.816 58.200 0.063 0.000 0.914 59 S CB 0.689 63.978 63.200 0.148 0.000 0.782 59 S HN 0.384 8.779 8.310 0.142 0.000 0.520 60 F N -0.226 119.673 119.950 -0.084 0.000 2.259 60 F HA -0.229 4.272 4.527 -0.043 0.000 0.298 60 F C 0.382 176.138 175.800 -0.073 0.000 1.088 60 F CA 1.661 59.605 58.000 -0.093 0.000 1.358 60 F CB -0.651 38.244 39.000 -0.174 0.000 1.040 60 F HN -0.135 8.212 8.300 0.135 0.035 0.505 61 M N -1.901 116.883 119.600 -1.360 0.000 2.159 61 M HA -0.298 3.836 4.480 -0.577 0.000 0.263 61 M C 1.682 177.827 176.300 -0.258 0.000 1.063 61 M CA 1.582 56.428 55.300 -0.758 0.000 1.110 61 M CB -1.155 30.966 32.600 -0.798 0.000 1.374 61 M HN -0.425 6.745 8.290 -1.835 0.018 0.411 62 G N -4.803 103.914 108.800 -0.138 0.000 2.418 62 G HA2 -0.217 3.723 3.960 -0.033 0.000 0.217 62 G HA3 -0.217 3.830 3.960 0.144 0.000 0.217 62 G C 0.163 174.894 174.900 -0.281 0.000 1.158 62 G CA 0.545 45.609 45.100 -0.060 0.000 0.771 62 G HN -0.278 7.798 8.290 -0.188 0.101 0.545 63 G N 0.531 109.255 108.800 -0.126 0.000 2.513 63 G HA2 -0.387 3.554 3.960 -0.032 0.000 0.227 63 G HA3 -0.387 3.486 3.960 -0.146 0.000 0.227 63 G C 0.741 175.612 174.900 -0.048 0.000 1.176 63 G CA 0.229 45.274 45.100 -0.091 0.000 0.967 63 G HN -0.310 7.935 8.290 -0.074 0.000 0.587 64 N N 3.320 121.988 118.700 -0.053 0.000 2.205 64 N HA -0.250 4.494 4.740 0.007 0.000 0.186 64 N C 0.544 176.060 175.510 0.011 0.000 1.015 64 N CA 2.374 55.417 53.050 -0.012 0.000 0.862 64 N CB -0.457 38.019 38.487 -0.018 0.000 0.986 64 N HN 0.489 8.822 8.380 -0.078 0.000 0.429 65 M N 0.341 119.939 119.600 -0.002 0.000 2.453 65 M HA 0.245 4.778 4.480 0.089 0.000 0.239 65 M C 0.194 176.580 176.300 0.143 0.000 1.151 65 M CA -0.852 54.498 55.300 0.084 0.000 0.989 65 M CB -0.218 32.458 32.600 0.126 0.000 1.548 65 M HN -0.206 8.019 8.290 -0.078 0.018 0.479 66 G N -0.358 108.497 108.800 0.092 0.000 2.440 66 G HA2 -0.399 3.680 3.960 0.199 0.000 0.218 66 G HA3 -0.399 3.803 3.960 0.081 -0.193 0.218 66 G C 0.295 175.279 174.900 0.141 0.000 1.154 66 G CA 2.287 47.464 45.100 0.129 0.000 0.767 66 G HN 0.191 8.296 8.290 0.036 0.207 0.552 67 Q N 0.614 120.484 119.800 0.116 0.000 2.135 67 Q HA -0.376 4.033 4.340 0.115 0.000 0.204 67 Q C 2.158 178.225 176.000 0.112 0.000 0.981 67 Q CA 3.179 59.046 55.803 0.108 0.000 0.856 67 Q CB -0.385 28.404 28.738 0.085 0.000 0.902 67 Q HN 0.282 8.605 8.270 0.098 0.005 0.425 68 A N -0.075 122.831 122.820 0.143 0.000 1.877 68 A HA -0.249 4.225 4.320 0.256 0.000 0.216 68 A C 2.233 179.903 177.584 0.144 0.000 1.186 68 A CA 2.875 55.026 52.037 0.190 0.000 0.620 68 A CB -0.574 18.534 19.000 0.180 0.000 0.822 68 A HN -0.722 7.417 8.150 0.140 0.095 0.443 69 M N -1.807 117.869 119.600 0.127 0.000 2.117 69 M HA -0.352 4.069 4.480 -0.098 0.000 0.262 69 M C 2.417 178.696 176.300 -0.035 0.000 1.065 69 M CA 1.674 56.989 55.300 0.025 0.000 1.114 69 M CB -1.574 31.144 32.600 0.196 0.000 1.361 69 M HN -0.293 8.106 8.290 0.182 0.000 0.408 70 S N 0.511 116.211 115.700 0.001 0.000 2.356 70 S HA -0.366 3.600 4.470 -0.839 0.000 0.223 70 S C 2.268 176.748 174.600 -0.200 0.000 1.032 70 S CA 4.296 62.339 58.200 -0.261 0.000 1.005 70 S CB -0.362 62.921 63.200 0.138 0.000 0.867 70 S HN -0.187 8.178 8.310 0.093 0.000 0.449 71 K N 0.908 121.280 120.400 -0.047 0.000 2.152 71 K HA -0.271 3.996 4.320 -0.089 0.000 0.206 71 K C 2.314 178.880 176.600 -0.055 0.000 1.048 71 K CA 3.176 59.403 56.287 -0.101 0.000 0.933 71 K CB -0.215 32.131 32.500 -0.257 0.000 0.721 71 K HN -0.514 7.737 8.250 0.002 0.000 0.447 72 A N 0.610 123.442 122.820 0.020 0.000 1.877 72 A HA -0.214 4.119 4.320 0.020 0.000 0.216 72 A C 1.610 179.267 177.584 0.122 0.000 1.186 72 A CA 2.930 55.015 52.037 0.079 0.000 0.620 72 A CB -0.788 18.272 19.000 0.100 0.000 0.822 72 A HN -0.066 7.989 8.150 0.025 0.110 0.443 73 Y N 0.156 120.402 120.300 -0.090 0.000 2.165 73 Y HA -0.400 4.212 4.550 0.103 0.000 0.286 73 Y C 1.457 177.402 175.900 0.075 0.000 1.155 73 Y CA 3.027 61.145 58.100 0.030 0.000 1.164 73 Y CB 0.011 38.490 38.460 0.032 0.000 0.978 73 Y HN -0.478 7.812 8.280 0.016 0.000 0.513 74 A N -2.042 120.838 122.820 0.100 0.000 1.933 74 A HA -0.371 4.018 4.320 0.114 0.000 0.218 74 A C 1.807 179.354 177.584 -0.061 0.000 1.175 74 A CA 2.937 55.017 52.037 0.072 0.000 0.628 74 A CB -0.806 18.279 19.000 0.141 0.000 0.814 74 A HN -0.390 7.832 8.150 0.121 0.000 0.444 75 T N 1.678 116.164 114.554 -0.114 0.000 2.720 75 T HA -0.385 3.820 4.350 -0.241 0.000 0.268 75 T C 1.985 176.638 174.700 -0.078 0.000 1.037 75 T CA 4.641 66.611 62.100 -0.216 0.000 1.144 75 T CB -0.558 68.019 68.868 -0.484 0.000 0.864 75 T HN 0.172 8.157 8.240 -0.093 0.200 0.444 76 M N 0.675 120.297 119.600 0.036 0.000 2.106 76 M HA -0.474 4.140 4.480 0.223 0.000 0.259 76 M C 2.228 178.502 176.300 -0.043 0.000 1.068 76 M CA 4.506 59.850 55.300 0.074 0.000 1.100 76 M CB -0.356 32.229 32.600 -0.025 0.000 1.351 76 M HN -0.108 8.128 8.290 0.046 0.082 0.404 77 I N -0.613 119.882 120.570 -0.125 0.000 2.226 77 I HA -0.397 4.001 4.170 -0.076 -0.273 0.245 77 I C 2.591 178.695 176.117 -0.022 0.000 1.100 77 I CA 3.462 64.717 61.300 -0.076 0.000 1.374 77 I CB -0.550 37.417 38.000 -0.055 0.000 1.057 77 I HN -0.454 7.547 8.210 -0.189 0.095 0.413 78 A N 0.062 122.865 122.820 -0.028 0.000 1.940 78 A HA -0.220 4.097 4.320 -0.005 0.000 0.219 78 A C 1.309 178.892 177.584 -0.002 0.000 1.176 78 A CA 2.993 55.018 52.037 -0.019 0.000 0.631 78 A CB -0.319 18.647 19.000 -0.056 0.000 0.814 78 A HN -0.379 7.665 8.150 -0.049 0.077 0.446 79 L N -5.496 115.734 121.223 0.012 0.000 2.611 79 L HA 0.101 4.463 4.340 0.036 0.000 0.229 79 L C -0.351 176.542 176.870 0.037 0.000 1.137 79 L CA -0.518 54.347 54.840 0.042 0.000 0.901 79 L CB -0.217 41.900 42.059 0.097 0.000 1.098 79 L HN -0.572 7.558 8.230 0.006 0.104 0.456 80 E N -3.135 117.078 120.200 0.021 0.000 2.586 80 E HA -0.345 4.147 4.350 0.011 -0.136 0.259 80 E C 0.005 176.616 176.600 0.018 0.000 1.107 80 E CA 1.292 57.702 56.400 0.017 0.000 0.754 80 E CB -1.235 28.478 29.700 0.021 0.000 1.335 80 E HN -0.259 7.903 8.360 0.011 0.204 0.411 81 V N -8.988 110.939 119.914 0.022 0.000 3.085 81 V HA 0.398 4.526 4.120 0.014 0.000 0.345 81 V C -0.069 176.021 176.094 -0.007 0.000 1.397 81 V CA -0.901 61.412 62.300 0.022 0.000 1.165 81 V CB 0.537 32.400 31.823 0.066 0.000 1.153 81 V HN 0.017 8.101 8.190 0.025 0.121 0.495 82 E N 3.325 123.504 120.200 -0.036 0.000 2.023 82 E HA -0.362 3.913 4.350 -0.125 0.000 0.196 82 E C 1.591 178.197 176.600 0.010 0.000 1.003 82 E CA 4.001 60.356 56.400 -0.076 0.000 0.809 82 E CB -1.402 28.218 29.700 -0.134 0.000 0.755 82 E HN 0.322 8.601 8.360 -0.034 0.060 0.449 83 D N -1.613 118.802 120.400 0.025 0.000 2.133 83 D HA -0.233 4.446 4.640 0.064 0.000 0.195 83 D C 1.047 177.355 176.300 0.014 0.000 0.997 83 D CA 2.968 56.990 54.000 0.037 0.000 0.840 83 D CB -0.706 40.108 40.800 0.024 0.000 0.947 83 D HN 0.261 8.642 8.370 0.018 0.000 0.452 84 K N -1.502 118.892 120.400 -0.011 0.000 1.991 84 K HA -0.125 4.178 4.320 -0.029 0.000 0.207 84 K C 2.034 178.584 176.600 -0.083 0.000 1.045 84 K CA 2.493 58.756 56.287 -0.039 0.000 0.937 84 K CB 0.345 32.821 32.500 -0.040 0.000 0.720 84 K HN -0.559 7.681 8.250 -0.009 0.005 0.438 85 M N -1.497 118.026 119.600 -0.127 0.000 2.254 85 M HA -0.156 4.128 4.480 -0.327 0.000 0.265 85 M C 1.885 178.049 176.300 -0.227 0.000 1.066 85 M CA 0.735 55.868 55.300 -0.278 0.000 1.123 85 M CB -0.813 31.544 32.600 -0.404 0.000 1.388 85 M HN -0.172 8.063 8.290 -0.092 0.000 0.425 86 V N 1.532 121.406 119.914 -0.067 0.000 2.231 86 V HA -0.254 3.942 4.120 0.127 0.000 0.250 86 V C -0.539 175.481 176.094 -0.123 0.000 1.058 86 V CA 5.755 68.085 62.300 0.050 0.000 1.022 86 V CB -3.036 28.936 31.823 0.247 0.000 0.640 86 V HN 0.437 8.504 8.190 -0.029 0.106 0.445 87 P HA -0.129 4.560 4.420 0.448 0.000 0.222 87 P C 1.666 178.960 177.300 -0.010 0.000 1.147 87 P CA 2.922 66.106 63.100 0.140 0.000 0.790 87 P CB -0.640 31.122 31.700 0.103 0.000 0.780 88 V N -0.114 119.720 119.914 -0.134 0.000 2.343 88 V HA -0.498 3.555 4.120 -0.112 0.000 0.247 88 V C 1.939 177.901 176.094 -0.221 0.000 1.051 88 V CA 4.904 67.095 62.300 -0.182 0.000 1.036 88 V CB -0.170 31.480 31.823 -0.289 0.000 0.654 88 V HN -0.978 6.955 8.190 -0.153 0.165 0.451 89 M N -0.830 118.554 119.600 -0.360 0.000 2.117 89 M HA -0.471 3.811 4.480 -0.329 0.000 0.262 89 M C 2.202 178.421 176.300 -0.134 0.000 1.065 89 M CA 4.154 59.232 55.300 -0.369 0.000 1.114 89 M CB -0.284 31.924 32.600 -0.654 0.000 1.361 89 M HN -0.199 7.840 8.290 -0.418 0.000 0.408 90 F N -1.784 118.275 119.950 0.182 0.000 2.146 90 F HA -0.172 4.430 4.527 0.126 0.000 0.298 90 F C 2.358 178.215 175.800 0.095 0.000 1.096 90 F CA 1.358 59.426 58.000 0.113 0.000 1.275 90 F CB -1.476 37.545 39.000 0.036 0.000 1.008 90 F HN -0.588 7.312 8.300 -0.548 0.070 0.480 91 N N 0.106 118.936 118.700 0.216 0.000 2.025 91 N HA -0.414 4.432 4.740 0.177 0.000 0.194 91 N C 2.098 177.657 175.510 0.080 0.000 1.044 91 N CA 3.251 56.381 53.050 0.133 0.000 0.851 91 N CB -0.067 38.452 38.487 0.053 0.000 1.036 91 N HN 0.462 8.825 8.380 0.165 0.116 0.422 92 R N -0.330 120.180 120.500 0.017 0.000 2.117 92 R HA -0.320 4.010 4.340 -0.017 0.000 0.243 92 R C 2.378 178.691 176.300 0.023 0.000 1.143 92 R CA 3.356 59.449 56.100 -0.013 0.000 0.968 92 R CB -0.247 30.009 30.300 -0.073 0.000 0.863 92 R HN 0.141 8.401 8.270 -0.017 0.000 0.444 93 I N -1.886 118.726 120.570 0.069 0.000 2.260 93 I HA -0.280 3.935 4.170 0.074 0.000 0.237 93 I C 2.191 178.398 176.117 0.149 0.000 1.075 93 I CA 3.316 64.681 61.300 0.108 0.000 1.376 93 I CB -0.665 37.423 38.000 0.148 0.000 1.107 93 I HN -0.381 7.779 8.210 0.087 0.103 0.420 94 H N -0.747 118.380 119.070 0.096 0.000 2.524 94 H HA -0.161 4.441 4.556 0.077 0.000 0.282 94 H C 1.066 176.429 175.328 0.058 0.000 1.016 94 H CA 3.217 59.312 56.048 0.077 0.000 1.270 94 H CB 0.430 30.238 29.762 0.077 0.000 1.394 94 H HN 0.590 8.952 8.280 0.328 0.114 0.568 95 T N -1.118 113.428 114.554 -0.013 0.000 3.330 95 T HA 0.095 4.339 4.350 -0.176 0.000 0.240 95 T C 0.731 175.407 174.700 -0.040 0.000 0.988 95 T CA 0.840 62.896 62.100 -0.073 0.000 1.253 95 T CB 1.432 70.303 68.868 0.005 0.000 1.163 95 T HN 0.063 8.197 8.240 0.083 0.155 0.382 96 L N -0.831 120.385 121.223 -0.011 0.000 2.191 96 L HA -0.240 4.089 4.340 -0.017 0.000 0.212 96 L C 0.437 177.305 176.870 -0.004 0.000 1.103 96 L CA 1.575 56.407 54.840 -0.012 0.000 0.769 96 L CB 0.172 42.223 42.059 -0.014 0.000 0.908 96 L HN -0.349 7.883 8.230 0.004 0.000 0.438 97 R N -6.889 113.615 120.500 0.008 0.000 3.641 97 R HA -0.402 4.142 4.340 0.048 -0.175 0.286 97 R C -0.742 175.578 176.300 0.034 0.000 1.153 97 R CA 0.803 56.920 56.100 0.028 0.000 0.775 97 R CB -2.799 27.508 30.300 0.013 0.000 1.215 97 R HN -0.344 7.899 8.270 0.013 0.035 0.474 98 K N -0.379 120.035 120.400 0.024 0.000 2.762 98 K HA 0.381 4.723 4.320 0.037 0.000 0.180 98 K C -2.716 173.896 176.600 0.020 0.000 1.067 98 K CA -3.091 53.210 56.287 0.023 0.000 0.973 98 K CB 0.433 32.934 32.500 0.002 0.000 1.290 98 K HN -0.176 8.065 8.250 0.015 0.018 0.604 99 P HA 0.078 4.454 4.420 -0.073 0.000 0.269 99 P C -2.100 175.238 177.300 0.063 0.000 1.209 99 P CA -1.480 61.639 63.100 0.033 0.000 0.776 99 P CB 0.018 31.840 31.700 0.204 0.000 0.876 100 P HA -0.087 4.659 4.420 0.018 -0.315 0.267 100 P C -0.824 176.556 177.300 0.134 0.000 1.205 100 P CA 0.044 63.169 63.100 0.042 0.000 0.765 100 P CB 0.363 32.064 31.700 0.001 0.000 0.828 101 K N 2.390 122.843 120.400 0.089 0.000 2.284 101 K HA -0.032 4.364 4.320 0.127 0.000 0.198 101 K C -0.191 176.451 176.600 0.069 0.000 1.048 101 K CA 0.457 56.799 56.287 0.091 0.000 0.987 101 K CB 0.936 33.469 32.500 0.056 0.000 0.800 101 K HN 0.941 9.775 8.250 0.052 -0.553 0.486 102 D N -0.702 119.725 120.400 0.045 0.000 2.610 102 D HA 0.269 4.933 4.640 0.040 0.000 0.271 102 D C -0.604 175.698 176.300 0.002 0.000 1.174 102 D CA -1.142 52.874 54.000 0.026 0.000 0.949 102 D CB 3.102 43.906 40.800 0.007 0.000 1.430 102 D HN -0.801 7.590 8.370 0.035 0.000 0.467 103 E N 0.138 120.325 120.200 -0.021 0.000 2.209 103 E HA -0.439 3.857 4.350 -0.090 0.000 0.196 103 E C 1.786 178.315 176.600 -0.117 0.000 0.993 103 E CA 3.827 60.169 56.400 -0.097 0.000 0.819 103 E CB -0.107 29.503 29.700 -0.151 0.000 0.745 103 E HN 0.436 8.791 8.360 -0.008 0.000 0.477 104 Q N -0.886 118.865 119.800 -0.081 0.000 2.016 104 Q HA -0.252 4.025 4.340 -0.104 0.000 0.200 104 Q C 2.208 178.157 176.000 -0.084 0.000 0.978 104 Q CA 3.224 58.977 55.803 -0.084 0.000 0.833 104 Q CB -0.517 28.188 28.738 -0.054 0.000 0.895 104 Q HN 0.271 8.482 8.270 -0.056 0.026 0.427 105 E N -0.163 120.004 120.200 -0.055 0.000 2.110 105 E HA -0.275 4.041 4.350 -0.056 0.000 0.193 105 E C 2.261 178.822 176.600 -0.065 0.000 0.988 105 E CA 2.773 59.142 56.400 -0.051 0.000 0.804 105 E CB -0.530 29.157 29.700 -0.022 0.000 0.745 105 E HN -0.086 8.251 8.360 -0.039 0.000 0.458 106 L N -0.539 120.650 121.223 -0.057 0.000 2.042 106 L HA -0.372 3.973 4.340 0.008 0.000 0.210 106 L C 1.781 178.572 176.870 -0.132 0.000 1.076 106 L CA 3.123 57.943 54.840 -0.032 0.000 0.749 106 L CB -0.419 41.631 42.059 -0.015 0.000 0.893 106 L HN -0.224 7.896 8.230 -0.049 0.081 0.432 107 R N -2.266 118.067 120.500 -0.278 0.000 2.081 107 R HA -0.490 3.105 4.340 -1.242 0.000 0.235 107 R C 2.551 178.632 176.300 -0.365 0.000 1.131 107 R CA 3.968 59.733 56.100 -0.558 0.000 0.960 107 R CB -0.374 29.729 30.300 -0.328 0.000 0.856 107 R HN -0.058 8.006 8.270 -0.199 0.087 0.436 108 Q N -0.409 119.272 119.800 -0.198 0.000 2.096 108 Q HA -0.251 4.006 4.340 -0.137 0.000 0.204 108 Q C 2.182 178.109 176.000 -0.123 0.000 0.982 108 Q CA 2.801 58.521 55.803 -0.138 0.000 0.850 108 Q CB -0.800 27.880 28.738 -0.096 0.000 0.901 108 Q HN -0.513 7.657 8.270 -0.166 0.000 0.422 109 I N -0.338 120.170 120.570 -0.104 0.000 2.127 109 I HA -0.511 3.577 4.170 -0.136 0.000 0.241 109 I C 2.071 178.075 176.117 -0.189 0.000 1.075 109 I CA 4.154 65.373 61.300 -0.134 0.000 1.334 109 I CB -0.203 37.720 38.000 -0.129 0.000 1.040 109 I HN -0.328 7.820 8.210 -0.093 0.006 0.405 110 F N -1.448 118.279 119.950 -0.373 0.000 2.095 110 F HA -0.304 4.086 4.527 -0.229 0.000 0.298 110 F C 2.590 178.238 175.800 -0.254 0.000 1.104 110 F CA 3.874 61.664 58.000 -0.349 0.000 1.232 110 F CB -0.397 38.185 39.000 -0.696 0.000 0.987 110 F HN -0.808 7.607 8.300 0.191 0.000 0.475 111 L N -1.168 120.005 121.223 -0.084 0.000 2.093 111 L HA -0.271 4.247 4.340 -0.040 -0.203 0.208 111 L C 2.952 179.781 176.870 -0.069 0.000 1.085 111 L CA 2.395 57.192 54.840 -0.072 0.000 0.755 111 L CB -0.694 41.307 42.059 -0.096 0.000 0.904 111 L HN -0.397 7.746 8.230 -0.146 0.000 0.435 112 D N 0.142 120.490 120.400 -0.087 0.000 2.149 112 D HA -0.247 4.354 4.640 -0.065 0.000 0.198 112 D C 1.895 178.146 176.300 -0.082 0.000 0.990 112 D CA 2.699 56.650 54.000 -0.080 0.000 0.839 112 D CB -0.661 40.085 40.800 -0.091 0.000 0.948 112 D HN 0.285 8.585 8.370 -0.102 0.010 0.460 113 E N -3.716 116.418 120.200 -0.109 0.000 2.512 113 E HA -0.002 4.288 4.350 -0.099 0.000 0.195 113 E C 0.353 176.913 176.600 -0.068 0.000 1.083 113 E CA -0.474 55.861 56.400 -0.109 0.000 0.873 113 E CB 0.088 29.679 29.700 -0.181 0.000 0.897 113 E HN -0.590 7.585 8.360 -0.134 0.104 0.514 114 G N -2.269 106.502 108.800 -0.047 0.000 2.144 114 G HA2 -0.403 3.544 3.960 -0.022 0.000 0.218 114 G HA3 -0.403 3.543 3.960 -0.024 0.000 0.218 114 G C -0.692 174.206 174.900 -0.002 0.000 0.988 114 G CA 0.037 45.122 45.100 -0.024 0.000 0.659 114 G HN -0.064 7.984 8.290 -0.052 0.211 0.522 115 I N -0.451 120.125 120.570 0.009 0.000 2.664 115 I HA 0.060 4.266 4.170 0.060 0.000 0.308 115 I C -0.904 175.243 176.117 0.050 0.000 0.984 115 I CA -0.966 60.370 61.300 0.060 0.000 1.213 115 I CB 1.763 39.846 38.000 0.138 0.000 1.379 115 I HN -0.570 7.593 8.210 -0.012 0.041 0.501 116 D N 2.538 122.981 120.400 0.073 0.000 2.210 116 D HA 0.134 4.789 4.640 0.025 0.000 0.249 116 D C 0.029 176.374 176.300 0.074 0.000 1.062 116 D CA -0.244 53.788 54.000 0.052 0.000 0.891 116 D CB 2.302 43.133 40.800 0.051 0.000 1.186 116 D HN 0.200 8.626 8.370 0.092 0.000 0.432 117 A N 5.455 128.295 122.820 0.033 0.000 1.972 117 A HA -0.300 4.043 4.320 0.038 0.000 0.219 117 A C 0.868 178.508 177.584 0.093 0.000 1.169 117 A CA 3.165 55.229 52.037 0.045 0.000 0.635 117 A CB -0.154 18.842 19.000 -0.006 0.000 0.810 117 A HN 0.619 8.775 8.150 0.011 0.000 0.446 118 A N -1.787 121.070 122.820 0.060 0.000 1.858 118 A HA -0.285 4.058 4.320 0.039 0.000 0.216 118 A C 1.225 178.844 177.584 0.058 0.000 1.190 118 A CA 3.169 55.235 52.037 0.048 0.000 0.617 118 A CB -0.527 18.492 19.000 0.032 0.000 0.827 118 A HN 0.382 8.542 8.150 0.044 0.017 0.443 119 K N -1.996 118.448 120.400 0.072 0.000 2.103 119 K HA -0.155 4.183 4.320 0.031 0.000 0.204 119 K C 2.031 178.669 176.600 0.064 0.000 1.052 119 K CA 2.228 58.551 56.287 0.059 0.000 0.945 119 K CB -0.764 31.776 32.500 0.066 0.000 0.722 119 K HN -0.169 8.126 8.250 0.075 0.000 0.443 120 F N 1.880 121.801 119.950 -0.048 0.000 2.134 120 F HA -0.385 4.071 4.527 -0.117 0.000 0.299 120 F C 0.382 176.115 175.800 -0.113 0.000 1.097 120 F CA 3.761 61.690 58.000 -0.118 0.000 1.264 120 F CB 0.411 39.306 39.000 -0.174 0.000 1.001 120 F HN -0.102 8.350 8.300 0.254 0.000 0.479 121 D N -0.596 119.833 120.400 0.048 0.000 2.117 121 D HA -0.389 4.210 4.640 -0.069 0.000 0.197 121 D C 2.325 178.569 176.300 -0.093 0.000 0.987 121 D CA 3.560 57.540 54.000 -0.033 0.000 0.829 121 D CB -0.806 40.018 40.800 0.040 0.000 0.961 121 D HN -0.001 8.470 8.370 0.178 0.006 0.460 122 A N -1.501 121.278 122.820 -0.068 0.000 1.972 122 A HA -0.277 4.082 4.320 -0.057 -0.073 0.219 122 A C 0.694 178.203 177.584 -0.125 0.000 1.169 122 A CA 2.671 54.666 52.037 -0.070 0.000 0.635 122 A CB -0.412 18.569 19.000 -0.032 0.000 0.810 122 A HN -0.511 7.543 8.150 -0.031 0.078 0.446 123 A N -2.885 119.819 122.820 -0.193 0.000 1.878 123 A HA -0.238 3.988 4.320 -0.157 0.000 0.213 123 A C 2.144 179.542 177.584 -0.309 0.000 1.192 123 A CA 2.135 54.032 52.037 -0.234 0.000 0.619 123 A CB 0.147 18.984 19.000 -0.271 0.000 0.837 123 A HN -0.512 7.395 8.150 -0.207 0.119 0.446 124 Y N -0.489 119.451 120.300 -0.599 0.000 2.256 124 Y HA -0.231 4.014 4.550 -0.507 0.000 0.288 124 Y C 0.568 176.265 175.900 -0.338 0.000 1.155 124 Y CA 2.954 60.731 58.100 -0.540 0.000 1.203 124 Y CB 0.528 38.571 38.460 -0.696 0.000 0.980 124 Y HN 0.312 8.276 8.280 -0.527 0.000 0.530 125 N N -3.201 115.361 118.700 -0.229 0.000 2.270 125 N HA -0.044 4.476 4.740 -0.366 0.000 0.198 125 N C 0.288 175.557 175.510 -0.402 0.000 1.117 125 N CA -0.542 52.331 53.050 -0.295 0.000 0.845 125 N CB 0.478 38.872 38.487 -0.155 0.000 0.980 125 N HN -0.628 7.636 8.380 -0.160 0.020 0.486 126 G N -0.579 108.036 108.800 -0.309 0.000 2.378 126 G HA2 0.005 3.858 3.960 -0.179 0.000 0.255 126 G HA3 0.005 3.893 3.960 -0.120 0.000 0.255 126 G C 0.246 174.997 174.900 -0.249 0.000 1.270 126 G CA -0.436 44.533 45.100 -0.217 0.000 0.876 126 G HN -0.483 7.425 8.290 -0.283 0.212 0.521 127 F N 4.471 124.385 119.950 -0.060 0.000 2.202 127 F HA -0.461 4.032 4.527 -0.058 0.000 0.301 127 F C 1.348 177.125 175.800 -0.039 0.000 1.082 127 F CA 4.135 62.106 58.000 -0.049 0.000 1.313 127 F CB -0.335 38.645 39.000 -0.033 0.000 1.024 127 F HN 0.241 8.605 8.300 0.106 0.000 0.495 128 A N -0.803 122.105 122.820 0.146 0.000 1.877 128 A HA -0.371 4.006 4.320 0.094 0.000 0.216 128 A C 1.521 179.136 177.584 0.052 0.000 1.186 128 A CA 2.827 54.916 52.037 0.086 0.000 0.620 128 A CB -0.911 18.131 19.000 0.069 0.000 0.822 128 A HN -0.004 8.231 8.150 0.168 0.016 0.443 129 V N 0.179 120.091 119.914 -0.004 0.000 2.255 129 V HA -0.565 3.587 4.120 0.054 0.000 0.247 129 V C 1.521 177.614 176.094 -0.002 0.000 1.051 129 V CA 5.141 67.431 62.300 -0.017 0.000 1.018 129 V CB -0.156 31.579 31.823 -0.148 0.000 0.641 129 V HN -0.710 7.458 8.190 -0.036 0.000 0.445 130 D N -0.780 119.578 120.400 -0.069 0.000 2.123 130 D HA -0.372 4.227 4.640 -0.069 0.000 0.196 130 D C 2.147 178.468 176.300 0.036 0.000 0.992 130 D CA 3.308 57.280 54.000 -0.047 0.000 0.833 130 D CB -0.366 40.381 40.800 -0.088 0.000 0.954 130 D HN -0.605 7.691 8.370 -0.122 0.000 0.455 131 S N -0.000 115.731 115.700 0.052 0.000 2.382 131 S HA -0.348 4.148 4.470 0.043 0.000 0.228 131 S C 2.393 177.021 174.600 0.047 0.000 1.027 131 S CA 3.516 61.745 58.200 0.050 0.000 0.991 131 S CB -0.037 63.193 63.200 0.050 0.000 0.823 131 S HN -0.340 7.996 8.310 0.053 0.006 0.469 132 M N 1.557 121.221 119.600 0.107 0.000 2.200 132 M HA -0.292 4.146 4.480 -0.070 0.000 0.265 132 M C 1.741 178.251 176.300 0.351 0.000 1.066 132 M CA 4.030 59.428 55.300 0.164 0.000 1.127 132 M CB 0.216 33.052 32.600 0.393 0.000 1.379 132 M HN -0.431 7.816 8.290 0.116 0.113 0.420 133 V N 0.903 121.057 119.914 0.399 0.000 2.287 133 V HA -0.500 4.232 4.120 1.019 0.000 0.248 133 V C 2.284 178.560 176.094 0.304 0.000 1.053 133 V CA 4.610 67.217 62.300 0.512 0.000 1.027 133 V CB -0.366 31.618 31.823 0.268 0.000 0.646 133 V HN -0.101 8.252 8.190 0.270 0.000 0.447 134 R N -2.293 118.300 120.500 0.155 0.000 2.081 134 R HA -0.387 4.017 4.340 0.108 0.000 0.235 134 R C 1.918 178.236 176.300 0.030 0.000 1.131 134 R CA 3.467 59.620 56.100 0.088 0.000 0.960 134 R CB -0.569 29.761 30.300 0.050 0.000 0.856 134 R HN -0.596 7.752 8.270 0.131 0.000 0.436 135 R N -0.153 120.303 120.500 -0.074 0.000 2.103 135 R HA -0.373 3.866 4.340 -0.168 0.000 0.234 135 R C 2.433 178.576 176.300 -0.262 0.000 1.132 135 R CA 3.351 59.296 56.100 -0.259 0.000 0.925 135 R CB -0.266 29.717 30.300 -0.528 0.000 0.842 135 R HN -0.382 7.791 8.270 -0.050 0.067 0.430 136 F N -3.123 116.781 119.950 -0.078 0.000 2.126 136 F HA -0.138 4.476 4.527 -0.134 -0.168 0.299 136 F C 2.694 178.504 175.800 0.016 0.000 1.096 136 F CA 2.807 60.701 58.000 -0.177 0.000 1.255 136 F CB -0.592 37.996 39.000 -0.687 0.000 0.997 136 F HN -0.253 7.712 8.300 -0.559 0.000 0.479 137 D N -0.615 119.917 120.400 0.220 0.000 2.133 137 D HA -0.445 4.363 4.640 0.280 0.000 0.195 137 D C 1.969 178.411 176.300 0.236 0.000 0.997 137 D CA 4.007 58.151 54.000 0.240 0.000 0.840 137 D CB 0.087 41.003 40.800 0.194 0.000 0.947 137 D HN -0.489 8.006 8.370 0.208 0.000 0.452 138 K N -0.224 120.267 120.400 0.153 0.000 2.103 138 K HA -0.382 4.227 4.320 0.108 -0.224 0.207 138 K C 2.372 179.067 176.600 0.159 0.000 1.048 138 K CA 2.869 59.227 56.287 0.117 0.000 0.930 138 K CB -0.094 32.436 32.500 0.051 0.000 0.716 138 K HN -0.422 7.892 8.250 0.110 0.002 0.444 139 Q N -1.563 118.373 119.800 0.227 0.000 2.061 139 Q HA -0.354 4.116 4.340 0.217 0.000 0.204 139 Q C 2.482 178.686 176.000 0.340 0.000 0.984 139 Q CA 3.157 59.168 55.803 0.346 0.000 0.846 139 Q CB -0.148 28.898 28.738 0.514 0.000 0.902 139 Q HN -0.514 7.769 8.270 0.188 0.100 0.421 140 F N 1.053 121.166 119.950 0.271 0.000 2.134 140 F HA -0.234 3.963 4.527 -0.550 0.000 0.299 140 F C 2.365 178.081 175.800 -0.140 0.000 1.097 140 F CA 2.964 60.912 58.000 -0.086 0.000 1.264 140 F CB 0.348 39.434 39.000 0.143 0.000 1.001 140 F HN -0.381 8.321 8.300 0.669 0.000 0.479 141 Q N -0.850 119.036 119.800 0.143 0.000 2.020 141 Q HA -0.447 3.896 4.340 0.006 0.000 0.202 141 Q C 2.697 178.635 176.000 -0.104 0.000 0.982 141 Q CA 3.412 59.224 55.803 0.015 0.000 0.838 141 Q CB -0.187 28.597 28.738 0.077 0.000 0.899 141 Q HN -0.399 7.962 8.270 0.278 0.076 0.423 142 D N -0.672 119.689 120.400 -0.065 0.000 2.144 142 D HA -0.199 4.396 4.640 -0.075 0.000 0.199 142 D C 1.922 178.123 176.300 -0.165 0.000 0.984 142 D CA 2.738 56.687 54.000 -0.085 0.000 0.834 142 D CB -0.375 40.407 40.800 -0.030 0.000 0.955 142 D HN 0.137 8.506 8.370 -0.002 0.000 0.465 143 S N -3.628 111.917 115.700 -0.258 0.000 2.474 143 S HA -0.208 4.112 4.470 -0.249 0.000 0.235 143 S C 1.142 175.489 174.600 -0.422 0.000 0.997 143 S CA 1.029 59.007 58.200 -0.371 0.000 0.949 143 S CB 0.045 62.854 63.200 -0.652 0.000 0.766 143 S HN -0.309 7.774 8.310 -0.236 0.085 0.517 144 G N 2.170 110.702 108.800 -0.447 0.000 2.198 144 G HA2 -0.383 3.373 3.960 -0.341 0.000 0.260 144 G HA3 -0.383 3.402 3.960 -0.292 0.000 0.260 144 G C -0.258 174.308 174.900 -0.557 0.000 1.025 144 G CA 0.759 45.619 45.100 -0.399 0.000 0.769 144 G HN -0.533 7.337 8.290 -0.423 0.166 0.507 145 L N -2.120 118.487 121.223 -1.026 0.000 2.397 145 L HA 0.024 3.993 4.340 -0.617 0.000 0.271 145 L C -0.292 176.122 176.870 -0.759 0.000 1.148 145 L CA 0.375 54.545 54.840 -1.118 0.000 0.825 145 L CB 0.392 41.275 42.059 -1.960 0.000 1.117 145 L HN -0.678 6.773 8.230 -1.264 0.020 0.456 146 T N 1.144 115.594 114.554 -0.173 0.000 3.044 146 T HA 0.069 4.433 4.350 0.023 0.000 0.260 146 T C -0.401 174.468 174.700 0.280 0.000 1.019 146 T CA -0.207 61.926 62.100 0.054 0.000 0.921 146 T CB 0.900 69.758 68.868 -0.016 0.000 1.053 146 T HN 0.030 8.180 8.240 -0.150 0.000 0.533 147 G N 1.344 110.400 108.800 0.428 0.000 2.289 147 G HA2 0.059 4.422 3.960 0.672 0.000 0.315 147 G HA3 0.059 4.205 3.960 0.310 0.000 0.315 147 G C -2.821 172.327 174.900 0.413 0.000 1.587 147 G CA 0.335 45.718 45.100 0.471 0.000 0.949 147 G HN -0.689 7.813 8.290 0.353 0.000 0.626 148 V N -0.890 119.290 119.914 0.444 0.000 3.083 148 V HA 0.289 4.712 4.120 0.322 -0.110 0.306 148 V C -2.394 173.788 176.094 0.147 0.000 1.077 148 V CA -3.214 59.269 62.300 0.305 0.000 1.073 148 V CB 0.596 32.597 31.823 0.297 0.000 1.081 148 V HN -0.172 8.304 8.190 0.476 0.000 0.474 149 P HA 0.226 5.110 4.420 0.290 -0.290 0.276 149 P C -1.340 176.051 177.300 0.152 0.000 1.243 149 P CA -0.530 62.667 63.100 0.163 0.000 0.768 149 P CB 0.419 32.246 31.700 0.212 0.000 0.856 150 A N 4.203 127.220 122.820 0.328 0.000 2.350 150 A HA 0.376 4.799 4.320 0.170 0.000 0.324 150 A C -2.181 175.650 177.584 0.411 0.000 1.118 150 A CA -1.461 50.733 52.037 0.263 0.000 0.783 150 A CB 3.331 22.410 19.000 0.132 0.000 1.236 150 A HN 0.148 8.576 8.150 0.464 0.000 0.457 151 V N 3.004 123.123 119.914 0.342 0.000 2.417 151 V HA 0.577 5.104 4.120 0.439 -0.144 0.291 151 V C -1.192 175.047 176.094 0.241 0.000 1.024 151 V CA -1.210 61.311 62.300 0.367 0.000 0.861 151 V CB 1.693 33.762 31.823 0.410 0.000 0.985 151 V HN 0.560 8.911 8.190 0.268 0.000 0.436 152 V N 7.318 127.389 119.914 0.262 0.000 2.459 152 V HA 0.510 4.841 4.120 0.110 -0.146 0.295 152 V C -1.049 175.101 176.094 0.094 0.000 1.029 152 V CA -1.607 60.792 62.300 0.165 0.000 0.874 152 V CB 2.254 34.226 31.823 0.247 0.000 0.985 152 V HN 0.590 8.984 8.190 0.341 0.000 0.438 153 V N 5.065 125.017 119.914 0.062 0.000 2.435 153 V HA 0.345 4.566 4.120 -0.028 -0.118 0.290 153 V C 0.412 176.519 176.094 0.021 0.000 1.030 153 V CA -1.906 60.392 62.300 -0.003 0.000 0.881 153 V CB 1.534 33.313 31.823 -0.073 0.000 0.983 153 V HN 0.733 8.977 8.190 0.089 0.000 0.445 154 N N 6.052 124.746 118.700 -0.010 0.000 2.693 154 N HA -0.545 4.191 4.740 -0.006 0.000 0.249 154 N C -0.604 174.940 175.510 0.057 0.000 1.119 154 N CA 1.388 54.445 53.050 0.010 0.000 0.717 154 N CB -1.347 37.134 38.487 -0.010 0.000 1.071 154 N HN 0.914 9.274 8.380 -0.034 0.000 0.555 155 N N -5.341 113.396 118.700 0.062 0.000 2.696 155 N HA -0.518 4.275 4.740 0.087 0.000 0.249 155 N C -1.296 174.251 175.510 0.061 0.000 1.090 155 N CA 2.072 55.164 53.050 0.069 0.000 0.716 155 N CB -0.244 38.275 38.487 0.053 0.000 1.020 155 N HN 0.325 8.700 8.380 0.052 0.036 0.548 156 R N -5.064 115.502 120.500 0.109 0.000 2.729 156 R HA 0.366 4.706 4.340 -0.001 0.000 0.215 156 R C -1.963 174.360 176.300 0.038 0.000 0.970 156 R CA 0.570 56.724 56.100 0.089 0.000 1.196 156 R CB 3.138 33.553 30.300 0.191 0.000 1.670 156 R HN -0.098 8.232 8.270 0.146 0.027 0.575 157 Y N -1.323 118.963 120.300 -0.024 0.000 2.387 157 Y HA 0.636 5.366 4.550 0.066 -0.140 0.336 157 Y C -1.522 174.384 175.900 0.010 0.000 1.067 157 Y CA -0.344 57.757 58.100 0.001 0.000 1.114 157 Y CB 2.658 41.050 38.460 -0.113 0.000 1.208 157 Y HN -0.130 8.379 8.280 0.382 0.000 0.458 158 L N 1.672 122.987 121.223 0.154 0.000 2.313 158 L HA 0.593 5.124 4.340 0.080 -0.143 0.283 158 L C -1.294 175.683 176.870 0.179 0.000 1.013 158 L CA -2.060 52.842 54.840 0.104 0.000 0.816 158 L CB 3.035 45.102 42.059 0.013 0.000 1.236 158 L HN 0.684 9.010 8.230 0.160 0.000 0.419 159 V N 6.961 126.965 119.914 0.151 0.000 2.405 159 V HA -0.171 4.075 4.120 0.210 0.000 0.264 159 V C -0.361 175.855 176.094 0.202 0.000 1.048 159 V CA 1.150 63.546 62.300 0.159 0.000 0.966 159 V CB -0.258 31.586 31.823 0.035 0.000 1.015 159 V HN 0.173 8.440 8.190 0.129 0.000 0.477 160 Q N 8.165 128.098 119.800 0.221 0.000 2.033 160 Q HA -0.211 4.214 4.340 0.141 0.000 0.196 160 Q C 1.456 177.610 176.000 0.257 0.000 0.970 160 Q CA 1.416 57.328 55.803 0.181 0.000 0.828 160 Q CB 0.564 29.378 28.738 0.127 0.000 0.895 160 Q HN 0.328 8.763 8.270 0.276 0.000 0.440 161 G N -2.102 106.881 108.800 0.305 0.000 2.175 161 G HA2 -0.406 3.837 3.960 0.472 0.000 0.265 161 G HA3 -0.406 4.045 3.960 0.818 0.000 0.265 161 G C -0.758 174.343 174.900 0.335 0.000 0.979 161 G CA 0.799 46.190 45.100 0.485 0.000 0.663 161 G HN -0.350 8.110 8.290 0.284 0.000 0.533 162 Q N -0.772 119.131 119.800 0.172 0.000 2.084 162 Q HA -0.279 4.121 4.340 0.099 0.000 0.202 162 Q C 0.790 176.821 176.000 0.053 0.000 0.978 162 Q CA 2.545 58.399 55.803 0.086 0.000 0.844 162 Q CB 0.135 28.886 28.738 0.022 0.000 0.898 162 Q HN 0.163 8.439 8.270 0.145 0.081 0.426 163 S N -2.106 113.580 115.700 -0.023 0.000 2.399 163 S HA -0.172 4.257 4.470 -0.067 0.000 0.231 163 S C -0.513 174.136 174.600 0.082 0.000 1.022 163 S CA 2.227 60.386 58.200 -0.067 0.000 0.983 163 S CB -0.244 62.739 63.200 -0.362 0.000 0.803 163 S HN 0.292 8.559 8.310 -0.072 0.000 0.480 164 A N 0.177 123.128 122.820 0.219 0.000 2.797 164 A HA 0.133 4.928 4.320 0.284 -0.304 0.296 164 A C -0.151 177.576 177.584 0.239 0.000 1.580 164 A CA -0.349 51.876 52.037 0.315 0.000 1.277 164 A CB -0.960 18.356 19.000 0.527 0.000 1.101 164 A HN -0.283 7.910 8.150 0.255 0.110 0.562 165 K N 2.128 122.623 120.400 0.159 0.000 2.209 165 K HA -0.246 4.138 4.320 0.106 0.000 0.204 165 K C 0.088 176.760 176.600 0.119 0.000 1.048 165 K CA 1.716 58.072 56.287 0.116 0.000 0.940 165 K CB 0.261 32.810 32.500 0.083 0.000 0.729 165 K HN -0.220 8.238 8.250 0.140 -0.123 0.451 166 S N -3.054 112.737 115.700 0.152 0.000 2.536 166 S HA 0.135 4.661 4.470 0.093 0.000 0.298 166 S C 0.413 175.130 174.600 0.195 0.000 1.083 166 S CA -2.503 55.776 58.200 0.132 0.000 0.995 166 S CB 1.587 64.853 63.200 0.111 0.000 1.058 166 S HN -0.657 7.729 8.310 0.181 0.032 0.488 167 L N 5.074 126.388 121.223 0.151 0.000 2.189 167 L HA -0.300 4.229 4.340 0.315 0.000 0.214 167 L C 1.341 178.390 176.870 0.298 0.000 1.097 167 L CA 2.588 57.565 54.840 0.229 0.000 0.764 167 L CB -0.184 41.938 42.059 0.104 0.000 0.900 167 L HN 0.685 8.967 8.230 0.087 0.000 0.436 168 D N -1.344 119.179 120.400 0.205 0.000 2.123 168 D HA -0.309 4.418 4.640 0.144 0.000 0.196 168 D C 2.038 178.554 176.300 0.361 0.000 0.992 168 D CA 3.129 57.256 54.000 0.212 0.000 0.833 168 D CB -0.232 40.655 40.800 0.146 0.000 0.954 168 D HN -0.293 8.139 8.370 0.150 0.028 0.455 169 E N -0.536 119.913 120.200 0.414 0.000 2.086 169 E HA -0.222 4.649 4.350 0.869 0.000 0.190 169 E C 2.044 179.035 176.600 0.651 0.000 0.975 169 E CA 2.467 59.252 56.400 0.642 0.000 0.813 169 E CB 0.327 30.316 29.700 0.482 0.000 0.768 169 E HN -0.542 8.016 8.360 0.340 0.006 0.457 170 Y N 1.489 122.022 120.300 0.388 0.000 2.181 170 Y HA -0.454 4.314 4.550 0.363 0.000 0.288 170 Y C 1.166 177.190 175.900 0.208 0.000 1.146 170 Y CA 3.534 61.823 58.100 0.316 0.000 1.164 170 Y CB 0.164 38.786 38.460 0.270 0.000 0.982 170 Y HN -0.398 8.224 8.280 0.570 0.000 0.515 171 F N -0.761 119.292 119.950 0.173 0.000 2.095 171 F HA -0.532 3.980 4.527 -0.025 0.000 0.298 171 F C 1.341 177.009 175.800 -0.220 0.000 1.104 171 F CA 3.935 61.927 58.000 -0.014 0.000 1.232 171 F CB 0.105 39.137 39.000 0.053 0.000 0.987 171 F HN 0.706 9.243 8.300 0.607 0.127 0.475 172 D N -0.757 119.618 120.400 -0.042 0.000 2.123 172 D HA -0.358 4.054 4.640 -0.379 0.000 0.196 172 D C 2.181 177.913 176.300 -0.947 0.000 0.992 172 D CA 3.285 57.010 54.000 -0.459 0.000 0.833 172 D CB -0.512 40.183 40.800 -0.176 0.000 0.954 172 D HN -0.525 7.996 8.370 0.251 0.000 0.455 173 L N 0.139 120.682 121.223 -1.133 0.000 1.990 173 L HA -0.306 3.685 4.340 -0.581 0.000 0.213 173 L C 1.411 178.013 176.870 -0.446 0.000 1.072 173 L CA 3.240 57.704 54.840 -0.628 0.000 0.755 173 L CB -0.409 41.587 42.059 -0.105 0.000 0.889 173 L HN -0.377 7.327 8.230 -0.876 0.000 0.432 174 V N -1.143 118.453 119.914 -0.530 0.000 2.324 174 V HA -0.692 3.207 4.120 -0.368 0.000 0.250 174 V C 1.978 177.746 176.094 -0.543 0.000 1.060 174 V CA 5.207 67.211 62.300 -0.493 0.000 1.042 174 V CB -0.909 30.586 31.823 -0.547 0.000 0.650 174 V HN -0.402 7.443 8.190 -0.575 0.000 0.450 175 N N 0.289 118.547 118.700 -0.736 0.000 2.120 175 N HA -0.389 3.997 4.740 -0.591 0.000 0.188 175 N C 2.709 177.839 175.510 -0.633 0.000 1.024 175 N CA 3.239 55.857 53.050 -0.720 0.000 0.852 175 N CB -0.035 37.934 38.487 -0.863 0.000 1.003 175 N HN -0.193 7.596 8.380 -0.847 0.084 0.424 176 Y N -0.806 119.239 120.300 -0.425 0.000 2.200 176 Y HA -0.209 4.167 4.550 -0.289 0.000 0.290 176 Y C 3.127 178.741 175.900 -0.476 0.000 1.137 176 Y CA 2.876 60.750 58.100 -0.376 0.000 1.163 176 Y CB -0.123 38.125 38.460 -0.353 0.000 0.988 176 Y HN -0.353 7.406 8.280 -0.735 0.080 0.518 177 L N -1.150 119.827 121.223 -0.410 0.000 2.079 177 L HA -0.402 3.390 4.340 -0.913 0.000 0.210 177 L C 2.419 179.019 176.870 -0.450 0.000 1.081 177 L CA 3.058 57.549 54.840 -0.580 0.000 0.752 177 L CB -0.723 41.089 42.059 -0.412 0.000 0.896 177 L HN 0.201 8.211 8.230 -0.367 0.000 0.433 178 L N -4.085 116.937 121.223 -0.335 0.000 2.127 178 L HA -0.257 3.963 4.340 -0.201 0.000 0.211 178 L C 1.090 177.821 176.870 -0.233 0.000 1.089 178 L CA 2.823 57.514 54.840 -0.247 0.000 0.757 178 L CB -0.124 41.792 42.059 -0.238 0.000 0.899 178 L HN 0.025 7.942 8.230 -0.355 0.100 0.434 179 T N -7.192 107.207 114.554 -0.258 0.000 3.145 179 T HA -0.010 4.247 4.350 -0.154 0.000 0.255 179 T C -0.298 174.255 174.700 -0.244 0.000 1.039 179 T CA -0.603 61.380 62.100 -0.195 0.000 0.928 179 T CB 0.299 69.081 68.868 -0.143 0.000 1.029 179 T HN -0.401 7.511 8.240 -0.290 0.153 0.554 180 L N 1.558 122.519 121.223 -0.437 0.000 2.350 180 L HA 0.020 4.121 4.340 -0.399 0.000 0.275 180 L C -0.573 176.069 176.870 -0.380 0.000 1.099 180 L CA -0.628 53.829 54.840 -0.638 0.000 0.808 180 L CB -0.012 41.036 42.059 -1.685 0.000 1.149 180 L HN -0.130 7.588 8.230 -0.488 0.219 0.442 181 K N 0.000 120.342 120.400 -0.097 0.000 2.780 181 K HA 0.000 4.397 4.320 0.128 0.000 0.191 181 K CA 0.000 56.334 56.287 0.078 0.000 0.838 181 K CB 0.000 32.507 32.500 0.011 0.000 1.064 181 K HN 0.000 8.214 8.250 -0.059 0.000 0.543