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 1ysn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV KQALREAGDE DATA SEQUENCE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF DATA SEQUENCE GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG DATA SEQUENCE NNAAAESRKG QERLEHHHHH H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.477 4.480 -0.005 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 S N 2.818 118.514 115.700 -0.006 0.000 2.843 2 S HA 0.911 5.376 4.470 -0.009 0.000 0.301 2 S C -2.246 172.351 174.600 -0.005 0.000 1.206 2 S CA -0.811 57.386 58.200 -0.006 0.000 0.875 2 S CB 2.181 65.379 63.200 -0.004 0.000 1.248 2 S HN 0.764 9.071 8.310 -0.005 0.000 0.555 3 M N 0.445 120.042 119.600 -0.004 0.000 3.019 3 M HA 0.450 4.931 4.480 0.002 0.000 0.256 3 M C -2.374 173.927 176.300 0.002 0.000 0.911 3 M CA -0.262 55.037 55.300 -0.001 0.000 0.794 3 M CB 1.149 33.745 32.600 -0.005 0.000 1.643 3 M HN 0.499 8.787 8.290 -0.003 0.000 0.572 4 A N 3.242 126.067 122.820 0.008 0.000 3.434 4 A HA 0.425 4.753 4.320 0.012 0.000 0.247 4 A C -2.554 175.044 177.584 0.022 0.000 1.075 4 A CA -0.276 51.770 52.037 0.016 0.000 0.737 4 A CB 1.294 20.307 19.000 0.022 0.000 1.412 4 A HN 0.210 8.366 8.150 0.009 0.000 0.691 5 M N -1.454 118.168 119.600 0.036 0.000 2.970 5 M HA 0.242 4.746 4.480 0.041 0.000 0.284 5 M C -0.966 175.373 176.300 0.064 0.000 1.254 5 M CA -0.379 54.950 55.300 0.049 0.000 0.744 5 M CB 2.509 35.145 32.600 0.059 0.000 1.758 5 M HN 0.262 8.576 8.290 0.040 0.000 0.428 6 S N 0.521 116.272 115.700 0.086 0.000 2.598 6 S HA 0.254 4.771 4.470 0.077 0.000 0.267 6 S C -0.274 174.388 174.600 0.103 0.000 1.189 6 S CA -0.068 58.190 58.200 0.096 0.000 1.010 6 S CB 1.246 64.520 63.200 0.123 0.000 1.084 6 S HN 0.451 8.817 8.310 0.094 0.000 0.541 7 Q N -2.265 117.596 119.800 0.103 0.000 2.179 7 Q HA 0.316 4.716 4.340 0.100 0.000 0.244 7 Q C 1.245 177.304 176.000 0.098 0.000 0.808 7 Q CA 0.186 56.046 55.803 0.094 0.000 0.955 7 Q CB 1.708 30.486 28.738 0.067 0.000 1.141 7 Q HN 0.270 8.600 8.270 0.101 0.000 0.485 8 S N 2.332 118.098 115.700 0.110 0.000 2.401 8 S HA -0.478 4.015 4.470 0.037 0.000 0.236 8 S C 1.406 176.031 174.600 0.043 0.000 1.058 8 S CA 3.922 62.168 58.200 0.076 0.000 1.151 8 S CB 0.003 63.284 63.200 0.134 0.000 1.049 8 S HN -0.291 8.094 8.310 0.124 0.000 0.432 9 N N -0.246 118.543 118.700 0.148 0.000 2.049 9 N HA -0.451 4.287 4.740 -0.002 0.000 0.198 9 N C 1.548 177.131 175.510 0.121 0.000 1.030 9 N CA 2.891 56.040 53.050 0.164 0.000 0.870 9 N CB -1.291 37.414 38.487 0.363 0.000 1.045 9 N HN -0.166 8.369 8.380 0.259 0.000 0.434 10 R N 0.733 121.307 120.500 0.123 0.000 2.096 10 R HA -0.428 3.983 4.340 0.118 0.000 0.240 10 R C 1.988 178.332 176.300 0.073 0.000 1.139 10 R CA 3.753 59.914 56.100 0.102 0.000 0.952 10 R CB -0.489 29.864 30.300 0.089 0.000 0.854 10 R HN -0.362 7.991 8.270 0.135 -0.002 0.436 11 E N -1.052 119.176 120.200 0.047 0.000 2.187 11 E HA -0.309 4.059 4.350 0.030 0.000 0.199 11 E C 2.414 179.036 176.600 0.037 0.000 1.004 11 E CA 2.904 59.319 56.400 0.026 0.000 0.813 11 E CB -0.571 29.130 29.700 0.001 0.000 0.736 11 E HN -0.357 7.954 8.360 0.047 0.077 0.468 12 L N -2.452 118.793 121.223 0.037 0.000 2.017 12 L HA -0.289 4.077 4.340 0.044 0.000 0.208 12 L C 2.079 179.095 176.870 0.243 0.000 1.073 12 L CA 3.179 58.077 54.840 0.098 0.000 0.745 12 L CB -0.817 41.293 42.059 0.084 0.000 0.894 12 L HN -0.211 7.885 8.230 0.014 0.142 0.432 13 V N -1.039 118.999 119.914 0.205 0.000 2.287 13 V HA -0.463 3.830 4.120 0.288 0.000 0.248 13 V C 2.293 178.453 176.094 0.110 0.000 1.053 13 V CA 3.412 65.819 62.300 0.178 0.000 1.027 13 V CB -1.265 30.606 31.823 0.080 0.000 0.646 13 V HN -0.465 7.738 8.190 0.159 0.083 0.447 14 V N 0.245 120.200 119.914 0.068 0.000 2.229 14 V HA -0.590 3.523 4.120 -0.012 0.000 0.243 14 V C 1.626 177.743 176.094 0.038 0.000 1.042 14 V CA 4.663 66.978 62.300 0.024 0.000 1.000 14 V CB -0.931 30.902 31.823 0.018 0.000 0.637 14 V HN -0.494 7.740 8.190 0.073 0.000 0.446 15 D N -0.061 120.382 120.400 0.071 0.000 2.127 15 D HA -0.347 4.331 4.640 0.064 0.000 0.190 15 D C 2.512 178.907 176.300 0.157 0.000 1.000 15 D CA 3.632 57.685 54.000 0.089 0.000 0.839 15 D CB 0.044 40.887 40.800 0.072 0.000 0.955 15 D HN -0.291 8.119 8.370 0.067 0.000 0.446 16 F N 0.963 120.953 119.950 0.067 0.000 2.046 16 F HA -0.430 4.156 4.527 0.098 0.000 0.297 16 F C 1.306 177.196 175.800 0.149 0.000 1.123 16 F CA 2.405 60.471 58.000 0.111 0.000 1.199 16 F CB -0.332 38.749 39.000 0.135 0.000 0.972 16 F HN -0.039 8.448 8.300 0.313 0.000 0.474 17 L N -0.871 120.034 121.223 -0.531 0.000 2.011 17 L HA -0.696 3.001 4.340 -1.072 0.000 0.225 17 L C 2.211 178.879 176.870 -0.337 0.000 1.084 17 L CA 3.624 58.089 54.840 -0.625 0.000 0.791 17 L CB -0.691 41.184 42.059 -0.307 0.000 0.898 17 L HN 0.202 8.232 8.230 -0.158 0.106 0.440 18 S N -2.139 113.482 115.700 -0.132 0.000 2.365 18 S HA -0.473 3.958 4.470 -0.065 0.000 0.225 18 S C 1.929 176.523 174.600 -0.009 0.000 1.039 18 S CA 3.998 62.170 58.200 -0.046 0.000 1.033 18 S CB -0.358 62.850 63.200 0.013 0.000 0.887 18 S HN 0.152 8.407 8.310 -0.092 0.000 0.447 19 Y N 4.106 124.368 120.300 -0.064 0.000 2.097 19 Y HA -0.342 4.220 4.550 0.020 0.000 0.282 19 Y C 1.755 177.643 175.900 -0.020 0.000 1.152 19 Y CA 3.605 61.709 58.100 0.007 0.000 1.136 19 Y CB -0.216 38.314 38.460 0.116 0.000 0.975 19 Y HN -0.653 7.644 8.280 0.169 0.085 0.498 20 K N -1.596 118.774 120.400 -0.050 0.000 2.152 20 K HA -0.364 3.924 4.320 -0.053 0.000 0.206 20 K C 2.133 178.639 176.600 -0.156 0.000 1.048 20 K CA 2.981 59.194 56.287 -0.124 0.000 0.933 20 K CB -0.490 31.846 32.500 -0.273 0.000 0.721 20 K HN -0.071 8.132 8.250 -0.078 0.000 0.447 21 L N -1.819 119.310 121.223 -0.157 0.000 2.023 21 L HA -0.222 4.084 4.340 -0.055 0.000 0.205 21 L C 2.017 178.871 176.870 -0.026 0.000 1.073 21 L CA 3.264 58.058 54.840 -0.077 0.000 0.745 21 L CB 0.089 42.093 42.059 -0.092 0.000 0.900 21 L HN -0.000 7.996 8.230 -0.181 0.126 0.435 22 S N 0.952 116.606 115.700 -0.077 0.000 2.374 22 S HA -0.327 4.380 4.470 -0.038 -0.260 0.227 22 S C 2.608 177.124 174.600 -0.140 0.000 1.037 22 S CA 2.959 61.108 58.200 -0.084 0.000 1.024 22 S CB -0.288 62.864 63.200 -0.081 0.000 0.861 22 S HN 0.573 8.718 8.310 -0.086 0.113 0.456 23 Q N 2.584 122.234 119.800 -0.249 0.000 2.297 23 Q HA -0.214 3.983 4.340 -0.239 0.000 0.208 23 Q C 1.233 177.158 176.000 -0.125 0.000 0.981 23 Q CA 2.467 58.120 55.803 -0.250 0.000 0.876 23 Q CB -0.200 28.312 28.738 -0.376 0.000 0.921 23 Q HN -0.024 8.043 8.270 -0.329 0.006 0.446 24 K N -2.908 117.451 120.400 -0.069 0.000 2.393 24 K HA 0.008 4.310 4.320 -0.031 0.000 0.193 24 K C 0.314 176.844 176.600 -0.116 0.000 1.026 24 K CA -1.433 54.845 56.287 -0.015 0.000 1.064 24 K CB 0.589 33.170 32.500 0.135 0.000 0.833 24 K HN -0.270 7.754 8.250 -0.064 0.188 0.521 25 G N -1.621 107.096 108.800 -0.138 0.000 2.307 25 G HA2 -0.262 3.603 3.960 -0.159 0.000 0.210 25 G HA3 -0.262 3.504 3.960 -0.324 0.000 0.210 25 G C -0.077 174.670 174.900 -0.256 0.000 1.005 25 G CA -0.188 44.774 45.100 -0.231 0.000 0.634 25 G HN -0.125 7.897 8.290 -0.091 0.213 0.496 26 Y N 0.077 120.298 120.300 -0.132 0.000 2.183 26 Y HA -0.083 4.353 4.550 -0.191 0.000 0.380 26 Y C -0.254 175.580 175.900 -0.110 0.000 1.308 26 Y CA 0.802 58.799 58.100 -0.172 0.000 1.813 26 Y CB 0.419 38.735 38.460 -0.241 0.000 1.584 26 Y HN -0.675 7.491 8.280 -0.068 0.073 0.665 27 S N -2.805 112.957 115.700 0.103 0.000 7.144 27 S HA -0.038 4.481 4.470 0.082 0.000 0.060 27 S C -1.505 173.246 174.600 0.251 0.000 1.471 27 S CA 0.152 58.427 58.200 0.124 0.000 1.045 27 S CB 0.490 63.765 63.200 0.125 0.000 1.256 27 S HN 0.035 8.382 8.310 0.062 0.000 0.546 28 W N 0.283 121.608 121.300 0.042 0.000 3.078 28 W HA -0.187 4.498 4.660 0.041 0.000 0.453 28 W C -1.205 175.321 176.519 0.012 0.000 1.803 28 W CA 0.474 57.837 57.345 0.031 0.000 0.459 28 W CB -0.336 29.137 29.460 0.020 0.000 2.859 28 W HN 0.092 8.522 8.180 0.417 0.000 0.416 29 S N 1.192 116.974 115.700 0.137 0.000 2.764 29 S HA 0.044 4.538 4.470 0.041 0.000 0.289 29 S C -1.977 172.630 174.600 0.012 0.000 1.235 29 S CA -0.298 57.930 58.200 0.047 0.000 1.081 29 S CB 0.710 63.921 63.200 0.018 0.000 1.319 29 S HN -0.284 8.057 8.310 0.051 0.000 0.492 30 Q N -0.629 119.167 119.800 -0.008 0.000 2.737 30 Q HA 0.554 5.008 4.340 0.189 0.000 0.307 30 Q C -1.916 174.092 176.000 0.013 0.000 0.905 30 Q CA -0.504 55.344 55.803 0.075 0.000 0.753 30 Q CB 1.971 30.720 28.738 0.019 0.000 1.463 30 Q HN 0.260 8.480 8.270 -0.083 0.000 0.455 31 F N -0.661 119.275 119.950 -0.023 0.000 2.679 31 F HA 0.313 4.836 4.527 -0.007 0.000 0.341 31 F C -0.730 175.062 175.800 -0.014 0.000 1.095 31 F CA -0.123 57.869 58.000 -0.014 0.000 1.004 31 F CB 1.426 40.418 39.000 -0.013 0.000 1.388 31 F HN -0.091 8.395 8.300 0.309 0.000 0.505 32 S N -0.891 114.921 115.700 0.187 0.000 2.669 32 S HA 0.128 4.654 4.470 0.093 0.000 0.266 32 S C -2.088 172.564 174.600 0.087 0.000 1.149 32 S CA -0.828 57.430 58.200 0.097 0.000 0.842 32 S CB 1.565 64.789 63.200 0.040 0.000 1.160 32 S HN -0.090 8.367 8.310 0.244 0.000 0.487 33 D N 0.788 121.219 120.400 0.052 0.000 2.575 33 D HA 0.401 5.073 4.640 0.053 0.000 0.236 33 D C -0.792 175.524 176.300 0.027 0.000 1.075 33 D CA -0.304 53.721 54.000 0.043 0.000 0.860 33 D CB 1.472 42.293 40.800 0.035 0.000 1.475 33 D HN 0.037 8.431 8.370 0.041 0.000 0.474 34 V N -1.144 118.785 119.914 0.025 0.000 5.619 34 V HA 0.326 4.456 4.120 0.015 0.000 0.099 34 V C -0.584 175.519 176.094 0.016 0.000 0.898 34 V CA 0.377 62.688 62.300 0.017 0.000 1.288 34 V CB 0.807 32.638 31.823 0.014 0.000 2.171 34 V HN -0.067 8.140 8.190 0.029 0.000 0.497 35 E N 0.165 120.375 120.200 0.016 0.000 3.664 35 E HA 0.239 4.599 4.350 0.016 0.000 0.378 35 E C -2.106 174.502 176.600 0.014 0.000 1.032 35 E CA 0.140 56.548 56.400 0.015 0.000 0.817 35 E CB 1.968 31.676 29.700 0.012 0.000 1.281 35 E HN 0.611 8.981 8.360 0.016 0.000 0.488 36 E N 1.854 122.063 120.200 0.015 0.000 2.411 36 E HA 0.382 4.739 4.350 0.013 0.000 0.279 36 E C -1.626 174.982 176.600 0.015 0.000 1.132 36 E CA -0.801 55.608 56.400 0.014 0.000 0.876 36 E CB 1.236 30.945 29.700 0.015 0.000 1.335 36 E HN 0.253 8.622 8.360 0.016 0.000 0.436 37 N N -0.625 118.083 118.700 0.013 0.000 3.343 37 N HA 0.723 5.471 4.740 0.014 0.000 0.330 37 N C -1.765 173.753 175.510 0.013 0.000 1.560 37 N CA -1.011 52.047 53.050 0.013 0.000 0.752 37 N CB 2.328 40.821 38.487 0.011 0.000 1.863 37 N HN 0.429 8.816 8.380 0.013 0.000 0.636 38 R N -1.758 118.749 120.500 0.012 0.000 3.112 38 R HA 0.234 4.581 4.340 0.011 0.000 0.271 38 R C -2.370 173.937 176.300 0.011 0.000 1.008 38 R CA -0.426 55.681 56.100 0.012 0.000 0.903 38 R CB 1.538 31.846 30.300 0.014 0.000 1.267 38 R HN 0.814 9.091 8.270 0.012 0.000 0.514 39 T N 0.644 115.204 114.554 0.010 0.000 3.865 39 T HA 0.182 4.537 4.350 0.009 0.000 0.234 39 T C -1.348 173.357 174.700 0.008 0.000 0.584 39 T CA -0.312 61.794 62.100 0.009 0.000 1.058 39 T CB 0.882 69.755 68.868 0.008 0.000 1.174 39 T HN 0.118 8.365 8.240 0.010 0.000 0.514 40 E N 1.750 121.955 120.200 0.009 0.000 3.499 40 E HA 0.437 4.791 4.350 0.007 0.000 0.277 40 E C -1.587 175.018 176.600 0.008 0.000 1.214 40 E CA 0.270 56.675 56.400 0.008 0.000 1.935 40 E CB 1.190 30.895 29.700 0.009 0.000 1.940 40 E HN 0.120 8.485 8.360 0.010 0.000 0.920 41 A N 1.962 124.788 122.820 0.009 0.000 2.045 41 A HA 0.181 4.507 4.320 0.010 0.000 0.298 41 A C -2.760 174.831 177.584 0.011 0.000 1.052 41 A CA -0.618 51.425 52.037 0.010 0.000 0.961 41 A CB 0.181 19.186 19.000 0.009 0.000 1.350 41 A HN -0.142 8.014 8.150 0.010 0.000 0.352 42 P HA 0.255 4.684 4.420 0.015 0.000 0.275 42 P C -1.641 175.668 177.300 0.015 0.000 1.228 42 P CA -0.314 62.795 63.100 0.015 0.000 0.786 42 P CB 0.707 32.418 31.700 0.017 0.000 0.927 43 E N -0.977 119.233 120.200 0.016 0.000 2.411 43 E HA 0.138 4.498 4.350 0.017 0.000 0.279 43 E C -0.561 176.050 176.600 0.018 0.000 1.132 43 E CA -1.015 55.395 56.400 0.017 0.000 0.876 43 E CB 0.240 29.948 29.700 0.014 0.000 1.335 43 E HN 0.116 8.486 8.360 0.017 0.000 0.436 44 G N 0.237 109.049 108.800 0.019 0.000 2.719 44 G HA2 -0.297 3.678 3.960 0.024 0.000 0.219 44 G HA3 -0.297 3.676 3.960 0.021 0.000 0.219 44 G C -0.516 174.396 174.900 0.019 0.000 1.234 44 G CA 0.777 45.890 45.100 0.021 0.000 0.788 44 G HN 0.315 8.616 8.290 0.018 0.000 0.619 45 T N -0.985 113.578 114.554 0.016 0.000 0.543 45 T HA -0.194 4.163 4.350 0.012 0.000 0.774 45 T C -1.501 173.207 174.700 0.014 0.000 0.992 45 T CA 0.953 63.061 62.100 0.014 0.000 4.076 45 T CB 0.573 69.449 68.868 0.013 0.000 2.302 45 T HN -0.142 8.107 8.240 0.015 0.000 0.398 46 E N 5.810 126.017 120.200 0.012 0.000 2.393 46 E HA 0.311 4.668 4.350 0.012 0.000 0.273 46 E C -1.845 174.759 176.600 0.007 0.000 0.918 46 E CA -1.245 55.161 56.400 0.010 0.000 0.773 46 E CB 2.324 32.030 29.700 0.011 0.000 1.275 46 E HN 0.030 8.396 8.360 0.010 0.000 0.451 47 S N 0.885 116.588 115.700 0.005 0.000 2.414 47 S HA 0.304 4.777 4.470 0.006 0.000 0.267 47 S C -1.102 173.498 174.600 0.000 0.000 1.165 47 S CA -0.123 58.079 58.200 0.004 0.000 1.028 47 S CB 0.818 64.020 63.200 0.003 0.000 1.154 47 S HN 0.157 8.516 8.310 0.004 -0.046 0.472 90 V N 2.024 121.961 119.914 0.037 0.000 2.233 90 V HA -0.584 3.610 4.120 0.124 0.000 0.252 90 V C 0.799 176.867 176.094 -0.044 0.000 1.063 90 V CA 3.845 66.147 62.300 0.003 0.000 1.032 90 V CB 0.075 31.790 31.823 -0.181 0.000 0.645 90 V HN 0.328 8.545 8.190 0.044 0.000 0.446 91 K N -1.530 118.830 120.400 -0.066 0.000 1.998 91 K HA -0.482 3.793 4.320 -0.076 0.000 0.228 91 K C 2.098 178.657 176.600 -0.069 0.000 1.053 91 K CA 3.973 60.221 56.287 -0.064 0.000 0.988 91 K CB -1.064 31.412 32.500 -0.040 0.000 0.735 91 K HN 0.082 8.292 8.250 -0.066 0.000 0.448 92 Q N -1.805 117.966 119.800 -0.048 0.000 2.030 92 Q HA -0.310 3.980 4.340 -0.083 0.000 0.204 92 Q C 2.172 178.141 176.000 -0.051 0.000 0.986 92 Q CA 3.175 58.944 55.803 -0.057 0.000 0.843 92 Q CB -0.421 28.297 28.738 -0.033 0.000 0.904 92 Q HN 0.108 8.359 8.270 -0.032 0.000 0.420 93 A N 0.872 123.687 122.820 -0.007 0.000 1.849 93 A HA -0.369 3.941 4.320 -0.017 0.000 0.217 93 A C 1.795 179.439 177.584 0.100 0.000 1.202 93 A CA 3.086 55.147 52.037 0.039 0.000 0.629 93 A CB -0.712 18.348 19.000 0.100 0.000 0.834 93 A HN 0.348 8.229 8.150 0.007 0.274 0.447 94 L N -1.843 119.435 121.223 0.092 0.000 1.991 94 L HA -0.487 3.840 4.340 -0.022 0.000 0.221 94 L C 2.499 179.277 176.870 -0.153 0.000 1.079 94 L CA 3.296 58.087 54.840 -0.083 0.000 0.778 94 L CB -1.231 40.665 42.059 -0.271 0.000 0.893 94 L HN 0.515 8.671 8.230 0.076 0.119 0.437 95 R N -2.323 118.055 120.500 -0.204 0.000 2.132 95 R HA -0.508 3.631 4.340 -0.336 0.000 0.233 95 R C 2.046 178.247 176.300 -0.165 0.000 1.125 95 R CA 3.359 59.263 56.100 -0.326 0.000 0.914 95 R CB -0.513 29.433 30.300 -0.591 0.000 0.845 95 R HN -0.484 7.676 8.270 -0.183 0.000 0.431 96 E N -1.171 118.967 120.200 -0.104 0.000 2.072 96 E HA -0.472 3.878 4.350 0.000 0.000 0.218 96 E C 2.192 178.816 176.600 0.040 0.000 1.051 96 E CA 3.248 59.638 56.400 -0.016 0.000 0.880 96 E CB -0.087 29.604 29.700 -0.015 0.000 0.783 96 E HN -0.625 7.659 8.360 -0.127 0.000 0.473 97 A N -2.215 120.647 122.820 0.069 0.000 1.971 97 A HA -0.315 4.103 4.320 0.162 0.000 0.222 97 A C 2.313 179.978 177.584 0.134 0.000 1.182 97 A CA 2.924 55.047 52.037 0.143 0.000 0.649 97 A CB -0.875 18.282 19.000 0.261 0.000 0.818 97 A HN -0.195 7.992 8.150 0.062 0.000 0.458 98 G N -2.122 106.707 108.800 0.049 0.000 2.421 98 G HA2 -0.379 3.646 3.960 0.109 0.000 0.216 98 G HA3 -0.379 3.585 3.960 -0.010 -0.010 0.216 98 G C 1.269 176.260 174.900 0.151 0.000 1.171 98 G CA 1.985 47.130 45.100 0.074 0.000 0.775 98 G HN 0.014 8.179 8.290 -0.015 0.116 0.543 99 D N 1.414 121.897 120.400 0.138 0.000 2.117 99 D HA -0.238 4.471 4.640 0.115 0.000 0.198 99 D C 2.237 178.591 176.300 0.090 0.000 0.982 99 D CA 3.307 57.382 54.000 0.125 0.000 0.828 99 D CB -0.179 40.710 40.800 0.149 0.000 0.967 99 D HN -0.494 7.864 8.370 0.113 0.080 0.464 100 E N -0.531 119.739 120.200 0.117 0.000 2.204 100 E HA -0.209 4.185 4.350 0.073 0.000 0.194 100 E C 1.798 178.514 176.600 0.194 0.000 0.989 100 E CA 1.967 58.438 56.400 0.118 0.000 0.824 100 E CB -0.252 29.518 29.700 0.117 0.000 0.756 100 E HN -0.269 8.163 8.360 0.120 0.000 0.477 101 F N 0.923 120.917 119.950 0.072 0.000 2.051 101 F HA -0.347 4.311 4.527 0.218 0.000 0.296 101 F C 1.071 176.932 175.800 0.101 0.000 1.122 101 F CA 1.815 59.893 58.000 0.131 0.000 1.201 101 F CB -0.153 38.912 39.000 0.107 0.000 0.978 101 F HN -0.102 8.258 8.300 0.316 0.130 0.472 102 E N -1.772 118.196 120.200 -0.385 0.000 2.401 102 E HA -0.355 3.503 4.350 -0.821 0.000 0.199 102 E C 1.972 178.454 176.600 -0.196 0.000 1.023 102 E CA 2.407 58.472 56.400 -0.557 0.000 0.859 102 E CB -0.959 28.364 29.700 -0.629 0.000 0.780 102 E HN -0.425 7.811 8.360 -0.208 0.000 0.523 103 L N -0.399 120.776 121.223 -0.079 0.000 2.071 103 L HA -0.209 4.106 4.340 -0.041 0.000 0.201 103 L C 2.207 179.045 176.870 -0.053 0.000 1.076 103 L CA 2.609 57.426 54.840 -0.039 0.000 0.755 103 L CB 0.034 42.088 42.059 -0.008 0.000 0.915 103 L HN -0.769 7.247 8.230 -0.032 0.195 0.445 104 R N -1.772 118.687 120.500 -0.068 0.000 2.073 104 R HA -0.223 4.013 4.340 -0.173 0.000 0.229 104 R C 1.630 177.744 176.300 -0.311 0.000 1.120 104 R CA 2.760 58.730 56.100 -0.216 0.000 0.967 104 R CB 0.501 30.615 30.300 -0.311 0.000 0.862 104 R HN -0.106 8.161 8.270 -0.006 0.000 0.436 105 Y N -2.732 117.595 120.300 0.046 0.000 2.764 105 Y HA 0.259 4.851 4.550 0.069 0.000 0.350 105 Y C -1.066 174.794 175.900 -0.067 0.000 0.982 105 Y CA -1.948 56.176 58.100 0.042 0.000 1.431 105 Y CB -1.438 37.159 38.460 0.229 0.000 1.326 105 Y HN 0.253 8.459 8.280 0.050 0.104 0.550 106 R N 1.182 121.713 120.500 0.050 0.000 2.117 106 R HA -0.390 4.091 4.340 0.026 -0.125 0.243 106 R C 1.731 178.115 176.300 0.140 0.000 1.143 106 R CA 4.245 60.383 56.100 0.063 0.000 0.968 106 R CB -0.115 30.208 30.300 0.039 0.000 0.863 106 R HN -0.243 7.967 8.270 0.017 0.070 0.444 107 R N -2.479 118.091 120.500 0.118 0.000 2.066 107 R HA -0.130 4.249 4.340 0.065 0.000 0.224 107 R C 1.408 177.765 176.300 0.094 0.000 1.122 107 R CA 3.051 59.205 56.100 0.090 0.000 0.974 107 R CB -0.344 30.000 30.300 0.074 0.000 0.871 107 R HN 0.235 8.560 8.270 0.116 0.015 0.435 108 A N -2.373 120.548 122.820 0.169 0.000 2.024 108 A HA -0.228 4.139 4.320 0.078 0.000 0.220 108 A C 0.816 178.485 177.584 0.141 0.000 1.164 108 A CA 2.331 54.457 52.037 0.148 0.000 0.643 108 A CB -0.632 18.488 19.000 0.200 0.000 0.806 108 A HN 0.182 8.474 8.150 0.236 0.000 0.451 109 F N -1.589 118.344 119.950 -0.029 0.000 2.164 109 F HA -0.117 4.478 4.527 0.112 0.000 0.287 109 F C 0.995 176.795 175.800 0.000 0.000 1.086 109 F CA 1.639 59.611 58.000 -0.046 0.000 1.249 109 F CB 1.371 40.130 39.000 -0.403 0.000 1.059 109 F HN -0.481 7.908 8.300 0.212 0.039 0.490 110 S N 1.124 116.557 115.700 -0.445 0.000 2.369 110 S HA -0.578 3.332 4.470 -0.933 0.000 0.225 110 S C 2.215 176.606 174.600 -0.349 0.000 1.043 110 S CA 3.487 61.382 58.200 -0.509 0.000 1.074 110 S CB -0.293 62.841 63.200 -0.111 0.000 0.962 110 S HN -0.440 7.919 8.310 0.082 0.000 0.433 111 D N 0.385 120.674 120.400 -0.185 0.000 2.228 111 D HA -0.222 4.346 4.640 -0.120 0.000 0.203 111 D C 1.685 177.880 176.300 -0.174 0.000 0.988 111 D CA 2.422 56.340 54.000 -0.137 0.000 0.864 111 D CB 0.021 40.773 40.800 -0.079 0.000 0.928 111 D HN -0.428 7.870 8.370 -0.120 0.000 0.469 112 L N -1.290 119.795 121.223 -0.230 0.000 2.007 112 L HA -0.162 4.026 4.340 -0.252 0.000 0.205 112 L C 2.105 178.808 176.870 -0.279 0.000 1.073 112 L CA 2.534 57.209 54.840 -0.275 0.000 0.744 112 L CB 0.082 41.986 42.059 -0.258 0.000 0.898 112 L HN -0.360 7.561 8.230 -0.245 0.163 0.435 113 T N 0.164 114.548 114.554 -0.284 0.000 2.918 113 T HA -0.326 4.195 4.350 0.284 0.000 0.271 113 T C 1.753 176.453 174.700 0.000 0.000 1.104 113 T CA 3.876 65.947 62.100 -0.049 0.000 1.114 113 T CB -0.250 68.469 68.868 -0.249 0.000 0.855 113 T HN 0.106 8.046 8.240 -0.499 0.000 0.518 114 S N -2.292 113.353 115.700 -0.092 0.000 2.577 114 S HA 0.072 4.533 4.470 -0.014 0.000 0.219 114 S C 0.589 175.158 174.600 -0.053 0.000 0.962 114 S CA 0.835 58.999 58.200 -0.059 0.000 0.921 114 S CB -0.587 62.558 63.200 -0.091 0.000 0.789 114 S HN -0.554 7.491 8.310 -0.169 0.163 0.497 115 Q N -0.574 119.196 119.800 -0.051 0.000 2.396 115 Q HA 0.043 4.351 4.340 -0.054 0.000 0.209 115 Q C -0.843 175.173 176.000 0.026 0.000 0.906 115 Q CA 0.293 56.065 55.803 -0.051 0.000 0.927 115 Q CB 1.679 30.344 28.738 -0.122 0.000 1.069 115 Q HN 0.235 8.259 8.270 -0.068 0.205 0.523 116 L N -2.204 119.093 121.223 0.122 0.000 2.476 116 L HA 0.227 4.663 4.340 0.161 0.000 0.269 116 L C -1.745 175.287 176.870 0.269 0.000 0.965 116 L CA 0.055 55.023 54.840 0.213 0.000 0.845 116 L CB 1.891 44.159 42.059 0.348 0.000 1.259 116 L HN -0.957 7.314 8.230 0.133 0.039 0.403 117 H N 7.609 126.727 119.070 0.080 0.000 2.700 117 H HA 0.134 4.719 4.556 0.047 0.000 0.269 117 H C -1.064 174.297 175.328 0.055 0.000 1.222 117 H CA -1.483 54.597 56.048 0.053 0.000 1.254 117 H CB 0.296 30.078 29.762 0.033 0.000 1.413 117 H HN 0.124 8.554 8.280 0.251 0.000 0.507 118 I N 5.252 125.822 120.570 0.001 0.000 2.752 118 I HA -0.235 3.983 4.170 0.080 0.000 0.287 118 I C -0.993 175.077 176.117 -0.079 0.000 1.188 118 I CA 0.178 61.470 61.300 -0.014 0.000 1.427 118 I CB 0.550 38.505 38.000 -0.075 0.000 1.365 118 I HN -0.034 8.174 8.210 -0.003 0.000 0.585 119 T N 5.115 119.669 114.554 -0.001 0.000 2.769 119 T HA 0.374 4.682 4.350 -0.071 0.000 0.306 119 T C -1.368 173.347 174.700 0.025 0.000 1.400 119 T CA -2.192 59.897 62.100 -0.019 0.000 1.007 119 T CB 1.144 70.012 68.868 -0.001 0.000 1.392 119 T HN -0.660 7.625 8.240 0.075 0.000 0.500 120 P HA -0.085 4.338 4.420 0.005 0.000 0.218 120 P C -0.032 177.310 177.300 0.071 0.000 1.148 120 P CA 1.722 64.835 63.100 0.022 0.000 0.822 120 P CB 0.252 31.955 31.700 0.006 0.000 0.784 121 G N -3.748 105.095 108.800 0.072 0.000 2.985 121 G HA2 0.054 4.067 3.960 0.089 0.000 0.209 121 G HA3 0.054 4.056 3.960 0.070 0.000 0.209 121 G C -0.228 174.744 174.900 0.121 0.000 1.165 121 G CA -0.564 44.589 45.100 0.088 0.000 0.776 121 G HN -0.467 7.835 8.290 0.054 0.020 0.541 122 T N 4.083 118.730 114.554 0.155 0.000 2.916 122 T HA -0.214 4.221 4.350 0.140 0.000 0.303 122 T C -1.220 173.633 174.700 0.255 0.000 1.025 122 T CA 1.244 63.462 62.100 0.195 0.000 1.142 122 T CB 0.775 69.783 68.868 0.233 0.000 0.947 122 T HN -0.544 7.568 8.240 0.138 0.211 0.544 123 A N 6.879 129.780 122.820 0.134 0.000 2.301 123 A HA 0.154 4.568 4.320 0.157 0.000 0.312 123 A C 0.162 177.641 177.584 -0.174 0.000 1.182 123 A CA -1.130 50.949 52.037 0.070 0.000 0.826 123 A CB 1.498 20.534 19.000 0.060 0.000 1.134 123 A HN -0.047 8.163 8.150 0.099 0.000 0.501 124 Y N 4.241 124.170 120.300 -0.619 0.000 2.283 124 Y HA -0.584 2.604 4.550 -2.270 0.000 0.285 124 Y C 0.813 176.409 175.900 -0.506 0.000 1.176 124 Y CA 3.212 60.571 58.100 -1.236 0.000 1.229 124 Y CB -0.494 37.240 38.460 -1.210 0.000 0.975 124 Y HN 0.633 8.871 8.280 -0.070 0.000 0.537 125 Q N -0.300 119.250 119.800 -0.417 0.000 2.020 125 Q HA -0.396 3.504 4.340 -0.733 0.000 0.202 125 Q C 2.274 178.091 176.000 -0.306 0.000 0.982 125 Q CA 3.688 59.244 55.803 -0.413 0.000 0.838 125 Q CB -0.821 27.865 28.738 -0.087 0.000 0.899 125 Q HN 0.338 8.521 8.270 -0.067 0.047 0.423 126 S N -0.985 114.627 115.700 -0.147 0.000 2.440 126 S HA -0.288 4.158 4.470 -0.039 0.000 0.240 126 S C 1.907 176.519 174.600 0.020 0.000 1.014 126 S CA 2.710 60.885 58.200 -0.042 0.000 0.980 126 S CB -0.279 62.935 63.200 0.024 0.000 0.775 126 S HN -0.318 7.922 8.310 -0.115 0.000 0.499 127 F N 3.050 122.839 119.950 -0.267 0.000 2.104 127 F HA -0.049 4.477 4.527 -0.002 0.000 0.288 127 F C 0.769 176.422 175.800 -0.245 0.000 1.107 127 F CA 0.429 58.317 58.000 -0.187 0.000 1.208 127 F CB 0.284 39.135 39.000 -0.248 0.000 1.033 127 F HN -0.962 7.052 8.300 -0.178 0.179 0.478 128 E N -0.687 119.041 120.200 -0.787 0.000 2.333 128 E HA -0.471 3.108 4.350 -1.284 0.000 0.200 128 E C 2.587 178.961 176.600 -0.376 0.000 1.010 128 E CA 2.900 58.843 56.400 -0.761 0.000 0.841 128 E CB -0.695 28.693 29.700 -0.520 0.000 0.757 128 E HN -0.224 7.645 8.360 -0.817 0.000 0.508 129 Q N -1.286 118.363 119.800 -0.252 0.000 1.969 129 Q HA -0.276 4.005 4.340 -0.099 0.000 0.198 129 Q C 2.092 178.025 176.000 -0.112 0.000 0.978 129 Q CA 3.166 58.892 55.803 -0.128 0.000 0.830 129 Q CB 0.503 29.193 28.738 -0.081 0.000 0.896 129 Q HN -0.363 7.686 8.270 -0.261 0.064 0.431 130 V N -1.517 118.361 119.914 -0.061 0.000 2.324 130 V HA -0.385 3.686 4.120 -0.082 0.000 0.250 130 V C 1.747 177.765 176.094 -0.126 0.000 1.060 130 V CA 3.301 65.565 62.300 -0.060 0.000 1.042 130 V CB -1.230 30.611 31.823 0.029 0.000 0.650 130 V HN -0.839 7.342 8.190 -0.016 0.000 0.450 131 V N -1.519 118.308 119.914 -0.145 0.000 2.626 131 V HA -0.397 3.664 4.120 -0.098 0.000 0.252 131 V C 1.033 177.012 176.094 -0.192 0.000 1.067 131 V CA 3.616 65.785 62.300 -0.218 0.000 1.081 131 V CB -0.135 31.326 31.823 -0.602 0.000 0.686 131 V HN -0.320 7.769 8.190 -0.154 0.007 0.468 132 N N -0.346 118.240 118.700 -0.190 0.000 2.058 132 N HA -0.266 4.423 4.740 -0.086 0.000 0.191 132 N C 2.550 178.033 175.510 -0.045 0.000 1.037 132 N CA 2.601 55.606 53.050 -0.075 0.000 0.848 132 N CB -0.301 38.174 38.487 -0.021 0.000 1.021 132 N HN -0.420 7.669 8.380 -0.227 0.154 0.422 133 E N 0.596 120.749 120.200 -0.077 0.000 2.049 133 E HA -0.321 3.996 4.350 -0.054 0.000 0.198 133 E C 2.481 179.007 176.600 -0.123 0.000 1.007 133 E CA 2.626 58.976 56.400 -0.083 0.000 0.809 133 E CB -0.571 29.073 29.700 -0.092 0.000 0.749 133 E HN -0.544 7.762 8.360 -0.090 0.000 0.450 134 L N -1.489 119.617 121.223 -0.195 0.000 2.349 134 L HA -0.244 3.936 4.340 -0.268 0.000 0.220 134 L C 0.256 176.862 176.870 -0.439 0.000 1.130 134 L CA 2.681 57.330 54.840 -0.319 0.000 0.791 134 L CB -0.015 41.812 42.059 -0.387 0.000 0.918 134 L HN -0.656 7.460 8.230 -0.190 0.000 0.444 135 F N -4.686 115.142 119.950 -0.203 0.000 2.706 135 F HA 0.188 4.578 4.527 -0.229 0.000 0.313 135 F C 0.920 176.620 175.800 -0.166 0.000 1.096 135 F CA -0.380 57.484 58.000 -0.226 0.000 1.219 135 F CB 1.036 39.848 39.000 -0.313 0.000 1.051 135 F HN -0.379 7.660 8.300 -0.071 0.218 0.568 136 R N 1.725 122.236 120.500 0.017 0.000 2.083 136 R HA -0.260 4.109 4.340 0.049 0.000 0.237 136 R C 0.878 177.183 176.300 0.008 0.000 1.137 136 R CA 3.162 59.272 56.100 0.017 0.000 0.951 136 R CB 0.177 30.470 30.300 -0.012 0.000 0.851 136 R HN -0.122 7.911 8.270 -0.035 0.216 0.434 137 D N 0.023 120.406 120.400 -0.030 0.000 2.545 137 D HA -0.060 4.570 4.640 -0.017 0.000 0.227 137 D C 0.111 176.383 176.300 -0.046 0.000 1.150 137 D CA 0.306 54.283 54.000 -0.037 0.000 1.046 137 D CB -1.949 38.813 40.800 -0.063 0.000 1.098 137 D HN -0.309 8.026 8.370 -0.057 0.000 0.502 138 G N 1.109 109.905 108.800 -0.007 0.000 2.622 138 G HA2 -0.433 3.572 3.960 0.076 0.000 0.272 138 G HA3 -0.433 3.514 3.960 -0.022 0.000 0.272 138 G C -2.605 172.179 174.900 -0.194 0.000 1.308 138 G CA -0.045 45.041 45.100 -0.023 0.000 0.919 138 G HN -0.266 8.002 8.290 0.024 0.037 0.565 139 V N -0.680 118.897 119.914 -0.563 0.000 2.686 139 V HA 0.235 4.101 4.120 -0.424 0.000 0.306 139 V C -1.701 173.717 176.094 -1.126 0.000 1.065 139 V CA -1.422 60.300 62.300 -0.964 0.000 0.894 139 V CB 2.040 32.748 31.823 -1.858 0.000 1.004 139 V HN -0.021 7.872 8.190 -0.496 0.000 0.424 140 N N 5.509 123.776 118.700 -0.722 0.000 2.371 140 N HA 0.155 4.147 4.740 -1.246 0.000 0.280 140 N C 0.500 175.675 175.510 -0.558 0.000 1.084 140 N CA -1.116 51.409 53.050 -0.875 0.000 0.892 140 N CB 1.788 39.854 38.487 -0.700 0.000 1.653 140 N HN -0.434 7.688 8.380 -0.430 0.000 0.480 141 W N 1.386 122.641 121.300 -0.076 0.000 2.257 141 W HA -0.442 4.190 4.660 -0.046 0.000 0.325 141 W C 1.532 178.026 176.519 -0.042 0.000 1.296 141 W CA 3.484 60.822 57.345 -0.011 0.000 1.297 141 W CB -1.819 27.731 29.460 0.151 0.000 1.131 141 W HN 0.559 7.768 8.180 -1.619 0.000 0.492 142 G N -0.953 107.929 108.800 0.137 0.000 2.586 142 G HA2 -0.373 3.640 3.960 0.089 0.000 0.218 142 G HA3 -0.373 3.591 3.960 0.006 0.000 0.218 142 G C 1.291 176.134 174.900 -0.096 0.000 1.216 142 G CA 1.932 47.052 45.100 0.034 0.000 0.786 142 G HN 0.183 8.527 8.290 0.098 0.005 0.583 143 R N 1.628 122.026 120.500 -0.169 0.000 2.127 143 R HA -0.297 3.811 4.340 -0.386 0.000 0.238 143 R C 2.634 178.885 176.300 -0.081 0.000 1.134 143 R CA 2.772 58.693 56.100 -0.298 0.000 0.975 143 R CB -0.139 29.897 30.300 -0.441 0.000 0.865 143 R HN -0.666 7.762 8.270 -0.183 -0.268 0.447 144 I N 0.281 120.965 120.570 0.189 0.000 2.076 144 I HA -0.583 4.168 4.170 0.968 0.000 0.237 144 I C 1.617 177.961 176.117 0.379 0.000 1.059 144 I CA 4.350 65.936 61.300 0.477 0.000 1.317 144 I CB -0.291 37.839 38.000 0.217 0.000 1.037 144 I HN -0.251 7.901 8.210 0.083 0.108 0.398 145 V N -0.608 119.295 119.914 -0.019 0.000 2.295 145 V HA -0.605 3.297 4.120 -0.364 0.000 0.246 145 V C 1.829 177.793 176.094 -0.217 0.000 1.049 145 V CA 4.611 66.799 62.300 -0.187 0.000 1.024 145 V CB -0.632 31.115 31.823 -0.127 0.000 0.648 145 V HN -0.081 8.088 8.190 -0.035 0.000 0.447 146 A N -0.754 121.788 122.820 -0.465 0.000 2.032 146 A HA -0.340 2.433 4.320 -2.579 0.000 0.221 146 A C 1.690 179.044 177.584 -0.384 0.000 1.165 146 A CA 2.983 54.291 52.037 -1.216 0.000 0.645 146 A CB -0.682 17.664 19.000 -1.090 0.000 0.807 146 A HN 0.194 8.148 8.150 -0.328 0.000 0.453 147 F N -0.232 119.651 119.950 -0.113 0.000 2.094 147 F HA -0.277 4.338 4.527 0.148 0.000 0.291 147 F C 1.077 177.110 175.800 0.388 0.000 1.109 147 F CA 1.688 59.792 58.000 0.175 0.000 1.221 147 F CB -0.033 39.137 39.000 0.283 0.000 1.014 147 F HN -0.395 7.832 8.300 0.138 0.156 0.473 148 F N -0.930 118.513 119.950 -0.844 0.000 2.063 148 F HA -0.631 3.102 4.527 -1.323 0.000 0.297 148 F C 2.319 177.964 175.800 -0.259 0.000 1.099 148 F CA 4.137 61.625 58.000 -0.854 0.000 1.220 148 F CB -0.721 37.864 39.000 -0.691 0.000 0.972 148 F HN -0.003 8.438 8.300 0.234 0.000 0.487 149 S N -1.299 114.480 115.700 0.132 0.000 2.365 149 S HA -0.466 4.332 4.470 0.546 0.000 0.225 149 S C 1.976 176.913 174.600 0.562 0.000 1.039 149 S CA 3.183 61.634 58.200 0.418 0.000 1.033 149 S CB -0.116 63.397 63.200 0.521 0.000 0.887 149 S HN -0.427 7.924 8.310 0.067 -0.001 0.447 150 F N 1.961 122.168 119.950 0.428 0.000 2.063 150 F HA -0.363 4.475 4.527 0.519 0.000 0.297 150 F C 1.529 177.489 175.800 0.267 0.000 1.099 150 F CA 2.219 60.460 58.000 0.402 0.000 1.220 150 F CB -0.905 38.307 39.000 0.354 0.000 0.972 150 F HN -0.145 8.458 8.300 0.644 0.083 0.487 151 G N -2.492 106.215 108.800 -0.155 0.000 2.433 151 G HA2 -0.456 3.071 3.960 -0.722 0.000 0.216 151 G HA3 -0.456 3.349 3.960 -0.258 0.000 0.216 151 G C 1.111 175.933 174.900 -0.129 0.000 1.186 151 G CA 1.695 46.587 45.100 -0.347 0.000 0.779 151 G HN -0.527 7.760 8.290 -0.012 -0.005 0.543 152 G N 1.200 110.067 108.800 0.112 0.000 2.505 152 G HA2 -0.456 3.345 3.960 -0.264 0.000 0.220 152 G HA3 -0.456 3.609 3.960 0.175 0.000 0.220 152 G C 0.775 175.692 174.900 0.027 0.000 1.145 152 G CA 2.034 47.134 45.100 -0.000 0.000 0.761 152 G HN -0.440 7.998 8.290 0.344 0.058 0.571 153 A N 0.612 123.550 122.820 0.196 0.000 1.902 153 A HA -0.304 4.140 4.320 0.208 0.000 0.217 153 A C 1.648 179.258 177.584 0.043 0.000 1.181 153 A CA 2.847 55.017 52.037 0.222 0.000 0.623 153 A CB -0.515 18.769 19.000 0.473 0.000 0.818 153 A HN -0.007 8.329 8.150 0.321 0.007 0.443 154 L N -1.771 119.413 121.223 -0.064 0.000 2.043 154 L HA -0.342 3.939 4.340 -0.098 0.000 0.212 154 L C 2.393 179.152 176.870 -0.184 0.000 1.075 154 L CA 3.331 58.074 54.840 -0.162 0.000 0.752 154 L CB -1.099 40.758 42.059 -0.337 0.000 0.891 154 L HN -0.292 7.788 8.230 -0.087 0.097 0.432 155 C N -1.479 117.697 119.300 -0.207 0.000 2.436 155 C HA -0.466 3.836 4.460 -0.264 0.000 0.277 155 C C 1.713 176.548 174.990 -0.259 0.000 1.241 155 C CA 5.641 64.510 59.018 -0.247 0.000 1.721 155 C CB -0.893 26.689 27.740 -0.264 0.000 2.043 155 C HN -0.297 7.809 8.230 -0.198 0.005 0.472 156 V N -0.105 119.696 119.914 -0.188 0.000 2.453 156 V HA -0.590 3.367 4.120 -0.271 0.000 0.252 156 V C 1.968 177.970 176.094 -0.153 0.000 1.068 156 V CA 4.926 67.127 62.300 -0.165 0.000 1.070 156 V CB -0.376 31.433 31.823 -0.024 0.000 0.664 156 V HN -0.279 7.828 8.190 -0.138 0.000 0.461 157 E N -0.591 119.540 120.200 -0.116 0.000 2.107 157 E HA -0.287 4.027 4.350 -0.059 0.000 0.191 157 E C 2.366 178.868 176.600 -0.163 0.000 0.982 157 E CA 2.736 59.076 56.400 -0.099 0.000 0.809 157 E CB -0.190 29.470 29.700 -0.066 0.000 0.756 157 E HN -0.093 8.085 8.360 -0.104 0.119 0.459 158 S N 0.459 116.032 115.700 -0.212 0.000 2.343 158 S HA -0.384 3.964 4.470 -0.204 0.000 0.219 158 S C 2.314 176.756 174.600 -0.264 0.000 1.033 158 S CA 4.094 62.156 58.200 -0.230 0.000 1.014 158 S CB 0.072 63.125 63.200 -0.245 0.000 0.915 158 S HN -0.356 7.730 8.310 -0.213 0.096 0.435 159 V N -0.141 119.535 119.914 -0.397 0.000 2.282 159 V HA -0.576 3.264 4.120 -0.466 0.000 0.249 159 V C 1.494 177.390 176.094 -0.331 0.000 1.057 159 V CA 4.158 66.126 62.300 -0.552 0.000 1.032 159 V CB -0.574 30.502 31.823 -1.244 0.000 0.645 159 V HN 0.011 7.947 8.190 -0.423 0.000 0.447 160 D N -0.096 120.168 120.400 -0.227 0.000 2.228 160 D HA -0.288 4.393 4.640 0.068 0.000 0.203 160 D C 1.005 177.275 176.300 -0.050 0.000 0.988 160 D CA 2.799 56.774 54.000 -0.042 0.000 0.864 160 D CB -0.005 40.786 40.800 -0.015 0.000 0.928 160 D HN -0.549 7.650 8.370 -0.285 0.000 0.469 161 K N -2.403 117.939 120.400 -0.097 0.000 2.493 161 K HA 0.047 4.339 4.320 -0.046 0.000 0.207 161 K C -1.399 175.153 176.600 -0.080 0.000 1.033 161 K CA -0.601 55.640 56.287 -0.076 0.000 1.161 161 K CB 0.322 32.766 32.500 -0.092 0.000 0.873 161 K HN -0.533 7.461 8.250 -0.143 0.170 0.491 162 E N -5.638 114.504 120.200 -0.096 0.000 2.360 162 E HA -0.400 3.913 4.350 -0.123 -0.037 0.238 162 E C -0.727 175.819 176.600 -0.089 0.000 1.186 162 E CA 1.441 57.789 56.400 -0.087 0.000 0.719 162 E CB -3.033 26.648 29.700 -0.032 0.000 1.236 162 E HN 0.477 8.565 8.360 -0.107 0.207 0.386 163 M N -2.071 117.448 119.600 -0.135 0.000 2.911 163 M HA 0.269 4.703 4.480 -0.077 0.000 0.381 163 M C 0.349 176.557 176.300 -0.154 0.000 1.287 163 M CA -0.686 54.543 55.300 -0.118 0.000 0.858 163 M CB 0.412 32.941 32.600 -0.118 0.000 1.385 163 M HN -0.238 7.838 8.290 -0.178 0.107 0.504 164 Q N 0.886 120.573 119.800 -0.187 0.000 2.268 164 Q HA -0.313 3.858 4.340 -0.281 0.000 0.210 164 Q C 1.611 177.545 176.000 -0.109 0.000 0.988 164 Q CA 2.744 58.422 55.803 -0.209 0.000 0.883 164 Q CB -1.852 26.724 28.738 -0.270 0.000 0.911 164 Q HN 0.279 8.372 8.270 -0.197 0.059 0.430 165 V N -0.210 119.673 119.914 -0.051 0.000 2.527 165 V HA -0.423 3.693 4.120 -0.007 0.000 0.255 165 V C 1.525 177.549 176.094 -0.117 0.000 1.081 165 V CA 2.907 65.180 62.300 -0.045 0.000 1.092 165 V CB -0.333 31.472 31.823 -0.031 0.000 0.673 165 V HN -0.433 7.701 8.190 -0.034 0.035 0.470 166 L N -1.605 119.522 121.223 -0.161 0.000 2.056 166 L HA -0.366 3.822 4.340 -0.254 0.000 0.207 166 L C 2.169 178.876 176.870 -0.272 0.000 1.078 166 L CA 2.841 57.539 54.840 -0.235 0.000 0.749 166 L CB -0.480 41.437 42.059 -0.236 0.000 0.901 166 L HN 0.189 8.173 8.230 -0.150 0.156 0.433 167 V N -0.784 118.992 119.914 -0.230 0.000 2.257 167 V HA -0.535 3.434 4.120 -0.251 0.000 0.257 167 V C 2.457 178.424 176.094 -0.212 0.000 1.077 167 V CA 3.865 66.032 62.300 -0.222 0.000 1.063 167 V CB -1.526 30.189 31.823 -0.181 0.000 0.664 167 V HN -0.006 7.960 8.190 -0.212 0.096 0.450 168 S N -2.249 113.349 115.700 -0.170 0.000 2.374 168 S HA -0.360 4.040 4.470 -0.117 0.000 0.227 168 S C 2.030 176.494 174.600 -0.227 0.000 1.037 168 S CA 3.319 61.429 58.200 -0.151 0.000 1.024 168 S CB -0.114 63.022 63.200 -0.107 0.000 0.861 168 S HN -0.114 8.115 8.310 -0.142 -0.005 0.456 169 R N 0.038 120.329 120.500 -0.349 0.000 2.078 169 R HA -0.287 3.746 4.340 -0.512 0.000 0.224 169 R C 2.204 178.063 176.300 -0.734 0.000 1.149 169 R CA 2.974 58.703 56.100 -0.617 0.000 0.916 169 R CB -0.316 29.497 30.300 -0.812 0.000 0.821 169 R HN 0.025 7.983 8.270 -0.319 0.121 0.434 170 I N -0.160 119.985 120.570 -0.708 0.000 2.290 170 I HA -0.488 3.445 4.170 -0.395 0.000 0.253 170 I C 1.414 177.429 176.117 -0.170 0.000 1.112 170 I CA 2.872 63.908 61.300 -0.440 0.000 1.377 170 I CB -0.140 37.619 38.000 -0.402 0.000 1.060 170 I HN -0.532 7.270 8.210 -0.680 0.000 0.428 171 A N -1.459 121.253 122.820 -0.180 0.000 1.902 171 A HA -0.320 3.973 4.320 -0.046 0.000 0.217 171 A C 1.397 178.999 177.584 0.030 0.000 1.181 171 A CA 2.951 54.948 52.037 -0.067 0.000 0.623 171 A CB -0.831 18.118 19.000 -0.086 0.000 0.818 171 A HN -0.056 7.908 8.150 -0.254 0.034 0.443 172 A N -1.426 121.394 122.820 0.000 0.000 1.970 172 A HA -0.074 4.314 4.320 0.113 0.000 0.216 172 A C 2.116 179.899 177.584 0.332 0.000 1.170 172 A CA 2.460 54.563 52.037 0.111 0.000 0.645 172 A CB -0.601 18.428 19.000 0.049 0.000 0.816 172 A HN 0.219 8.189 8.150 -0.122 0.107 0.447 173 W N -2.124 119.298 121.300 0.204 0.000 2.374 173 W HA -0.244 4.656 4.660 0.399 0.000 0.288 173 W C 2.149 178.954 176.519 0.476 0.000 1.218 173 W CA 2.396 59.978 57.345 0.396 0.000 1.245 173 W CB -0.870 28.881 29.460 0.485 0.000 1.126 173 W HN -0.015 8.199 8.180 0.191 0.081 0.545 174 M N -0.499 119.457 119.600 0.593 0.000 2.098 174 M HA -0.460 4.408 4.480 0.647 0.000 0.262 174 M C 1.682 178.203 176.300 0.368 0.000 1.072 174 M CA 4.359 59.953 55.300 0.490 0.000 1.133 174 M CB -0.090 32.673 32.600 0.272 0.000 1.344 174 M HN -0.393 8.145 8.290 0.445 0.019 0.414 175 A N -2.902 120.081 122.820 0.272 0.000 2.084 175 A HA -0.326 4.124 4.320 0.217 0.000 0.221 175 A C 1.939 179.662 177.584 0.231 0.000 1.161 175 A CA 2.869 55.039 52.037 0.223 0.000 0.653 175 A CB -1.115 17.986 19.000 0.168 0.000 0.802 175 A HN -0.418 7.877 8.150 0.243 0.000 0.457 176 T N -1.105 113.620 114.554 0.286 0.000 2.894 176 T HA -0.200 4.256 4.350 0.176 0.000 0.258 176 T C 0.871 175.714 174.700 0.237 0.000 1.043 176 T CA 3.375 65.624 62.100 0.249 0.000 1.141 176 T CB 0.392 69.437 68.868 0.294 0.000 0.873 176 T HN -0.682 7.604 8.240 0.354 0.167 0.449 177 Y N 0.427 120.828 120.300 0.168 0.000 2.286 177 Y HA -0.266 4.322 4.550 0.063 0.000 0.293 177 Y C 1.221 177.141 175.900 0.034 0.000 1.124 177 Y CA 3.465 61.598 58.100 0.055 0.000 1.178 177 Y CB 0.875 39.281 38.460 -0.090 0.000 1.010 177 Y HN -0.707 7.763 8.280 0.465 0.088 0.536 178 L N -3.345 118.037 121.223 0.265 0.000 2.275 178 L HA -0.419 4.031 4.340 0.183 0.000 0.215 178 L C 1.097 178.063 176.870 0.159 0.000 1.119 178 L CA 3.143 58.120 54.840 0.229 0.000 0.790 178 L CB -0.108 42.150 42.059 0.333 0.000 0.919 178 L HN 0.782 9.105 8.230 0.334 0.108 0.443 179 N N -3.266 115.510 118.700 0.126 0.000 2.280 179 N HA -0.064 4.736 4.740 0.100 0.000 0.192 179 N C -0.646 174.867 175.510 0.005 0.000 1.109 179 N CA 1.497 54.598 53.050 0.085 0.000 0.855 179 N CB 0.237 38.786 38.487 0.103 0.000 0.974 179 N HN -0.461 7.869 8.380 0.147 0.138 0.482 180 D N -2.717 117.647 120.400 -0.060 0.000 2.525 180 D HA 0.050 4.617 4.640 -0.122 0.000 0.231 180 D C -0.736 175.383 176.300 -0.303 0.000 1.216 180 D CA 0.744 54.651 54.000 -0.153 0.000 0.813 180 D CB 1.522 42.243 40.800 -0.132 0.000 1.108 180 D HN -0.533 7.610 8.370 -0.054 0.195 0.524 181 H N -1.012 117.810 119.070 -0.412 0.000 3.297 181 H HA 0.157 4.476 4.556 -0.394 0.000 0.254 181 H C -1.478 173.635 175.328 -0.360 0.000 1.192 181 H CA 0.456 56.182 56.048 -0.538 0.000 1.058 181 H CB 2.059 31.065 29.762 -1.261 0.000 1.777 181 H HN 0.217 8.387 8.280 -0.185 0.000 0.696 182 L N -3.230 117.956 121.223 -0.062 0.000 2.406 182 L HA 0.097 4.432 4.340 -0.010 0.000 0.228 182 L C 1.027 177.932 176.870 0.059 0.000 1.081 182 L CA 0.677 55.510 54.840 -0.010 0.000 1.089 182 L CB 1.609 43.654 42.059 -0.022 0.000 2.191 182 L HN -0.727 7.468 8.230 -0.058 0.000 0.520 183 E N 0.626 120.855 120.200 0.047 0.000 2.095 183 E HA -0.355 4.010 4.350 0.025 0.000 0.212 183 E C -0.648 175.945 176.600 -0.013 0.000 1.044 183 E CA 5.689 62.105 56.400 0.028 0.000 0.857 183 E CB -2.111 27.624 29.700 0.059 0.000 0.764 183 E HN 0.193 8.479 8.360 0.052 0.105 0.462 184 P HA -0.185 4.185 4.420 -0.082 0.000 0.218 184 P C -0.066 177.186 177.300 -0.080 0.000 1.146 184 P CA 2.030 65.090 63.100 -0.066 0.000 0.813 184 P CB -0.308 31.338 31.700 -0.089 0.000 0.778 185 W N -3.559 117.660 121.300 -0.135 0.000 2.488 185 W HA -0.168 4.419 4.660 -0.120 0.000 0.304 185 W C 2.249 178.677 176.519 -0.153 0.000 1.175 185 W CA 2.940 60.203 57.345 -0.136 0.000 1.365 185 W CB 0.548 29.922 29.460 -0.144 0.000 1.131 185 W HN -0.102 8.011 8.180 0.168 0.168 0.520 186 I N 1.246 121.875 120.570 0.098 0.000 2.423 186 I HA -0.489 3.793 4.170 -0.027 -0.127 0.254 186 I C 1.353 177.362 176.117 -0.179 0.000 1.151 186 I CA 2.553 63.768 61.300 -0.142 0.000 1.421 186 I CB 0.249 37.907 38.000 -0.569 0.000 1.079 186 I HN 0.507 8.665 8.210 0.094 0.108 0.431 187 Q N -3.538 116.179 119.800 -0.138 0.000 2.451 187 Q HA -0.199 4.055 4.340 -0.142 0.000 0.206 187 Q C 0.927 176.867 176.000 -0.101 0.000 0.947 187 Q CA 1.755 57.484 55.803 -0.123 0.000 0.937 187 Q CB 0.109 28.787 28.738 -0.099 0.000 1.025 187 Q HN -0.391 7.785 8.270 -0.104 0.032 0.511 188 E N -1.847 118.286 120.200 -0.113 0.000 2.481 188 E HA 0.009 4.278 4.350 -0.135 0.000 0.198 188 E C -0.404 176.156 176.600 -0.067 0.000 1.027 188 E CA 0.025 56.330 56.400 -0.158 0.000 0.900 188 E CB 0.938 30.422 29.700 -0.360 0.000 0.993 188 E HN -0.032 8.061 8.360 -0.089 0.214 0.482 189 N N -2.076 116.651 118.700 0.046 0.000 2.299 189 N HA 0.056 4.894 4.740 0.164 0.000 0.246 189 N C -0.153 175.453 175.510 0.160 0.000 1.254 189 N CA -0.804 52.358 53.050 0.187 0.000 0.879 189 N CB -0.140 38.591 38.487 0.407 0.000 1.214 189 N HN -0.728 7.504 8.380 0.025 0.163 0.510 190 G N -1.584 107.251 108.800 0.057 0.000 2.204 190 G HA2 -0.381 3.589 3.960 0.018 0.000 0.244 190 G HA3 -0.381 3.619 3.960 0.066 0.000 0.244 190 G C 0.199 175.101 174.900 0.003 0.000 1.062 190 G CA -0.206 44.917 45.100 0.039 0.000 0.798 190 G HN -0.222 8.018 8.290 0.018 0.061 0.496 191 G N -0.767 107.972 108.800 -0.102 0.000 2.581 191 G HA2 -0.468 3.201 3.960 -0.562 0.000 0.291 191 G HA3 -0.468 3.327 3.960 -0.275 0.000 0.291 191 G C 0.351 175.099 174.900 -0.255 0.000 1.277 191 G CA 0.392 45.291 45.100 -0.335 0.000 0.959 191 G HN -0.170 8.064 8.290 -0.094 0.000 0.554 192 W N -1.015 120.367 121.300 0.137 0.000 2.494 192 W HA -0.084 4.692 4.660 0.193 0.000 0.286 192 W C 0.940 177.556 176.519 0.162 0.000 1.218 192 W CA 1.150 58.590 57.345 0.158 0.000 1.313 192 W CB -0.108 29.420 29.460 0.113 0.000 1.105 192 W HN -0.064 7.878 8.180 -0.397 0.000 0.561 193 D N -1.280 119.307 120.400 0.313 0.000 2.244 193 D HA -0.340 4.417 4.640 0.194 0.000 0.197 193 D C 1.305 177.688 176.300 0.138 0.000 1.006 193 D CA 3.450 57.566 54.000 0.193 0.000 0.888 193 D CB -0.509 40.371 40.800 0.133 0.000 0.912 193 D HN 0.169 8.727 8.370 0.313 0.000 0.452 194 T N -0.464 114.174 114.554 0.140 0.000 2.851 194 T HA -0.283 4.079 4.350 0.022 0.000 0.262 194 T C 1.052 175.768 174.700 0.027 0.000 1.043 194 T CA 3.830 65.968 62.100 0.064 0.000 1.140 194 T CB 0.162 69.076 68.868 0.076 0.000 0.872 194 T HN -0.824 7.472 8.240 0.163 0.042 0.446 195 F N 2.135 122.088 119.950 0.005 0.000 2.126 195 F HA -0.345 4.064 4.527 -0.197 0.000 0.299 195 F C 0.695 176.494 175.800 -0.003 0.000 1.096 195 F CA 3.235 61.222 58.000 -0.022 0.000 1.255 195 F CB 0.263 39.348 39.000 0.141 0.000 0.997 195 F HN -0.240 8.189 8.300 0.366 0.091 0.479 196 V N -5.529 114.428 119.914 0.072 0.000 3.041 196 V HA -0.370 3.656 4.120 -0.157 0.000 0.260 196 V C 1.410 177.450 176.094 -0.090 0.000 1.105 196 V CA 3.111 65.389 62.300 -0.036 0.000 1.125 196 V CB -0.650 31.224 31.823 0.084 0.000 0.730 196 V HN -0.339 7.995 8.190 0.256 0.009 0.479 197 E N -3.054 117.102 120.200 -0.072 0.000 2.479 197 E HA -0.087 4.224 4.350 -0.066 0.000 0.193 197 E C -0.587 175.937 176.600 -0.126 0.000 1.049 197 E CA 0.507 56.861 56.400 -0.076 0.000 0.870 197 E CB 0.018 29.695 29.700 -0.037 0.000 0.944 197 E HN -0.652 7.513 8.360 -0.037 0.173 0.492 198 L N -1.692 119.416 121.223 -0.192 0.000 2.919 198 L HA 0.029 4.280 4.340 -0.148 0.000 0.169 198 L C 0.638 177.410 176.870 -0.163 0.000 1.228 198 L CA 1.451 56.186 54.840 -0.176 0.000 0.862 198 L CB 1.980 43.884 42.059 -0.258 0.000 1.313 198 L HN -0.768 7.136 8.230 -0.238 0.184 0.526 199 Y N -0.838 119.127 120.300 -0.558 0.000 2.883 199 Y HA 0.102 4.457 4.550 -0.326 0.000 0.385 199 Y C -1.348 174.231 175.900 -0.535 0.000 1.067 199 Y CA -1.233 56.562 58.100 -0.508 0.000 1.682 199 Y CB -1.230 36.911 38.460 -0.531 0.000 1.606 199 Y HN -0.704 7.359 8.280 -0.362 0.000 0.508 200 G N -2.511 106.120 108.800 -0.280 0.000 2.605 200 G HA2 0.236 4.078 3.960 -0.197 0.000 0.296 200 G HA3 0.236 4.198 3.960 -0.198 -0.122 0.296 200 G C -1.357 173.462 174.900 -0.135 0.000 1.304 200 G CA -2.274 42.701 45.100 -0.207 0.000 0.941 200 G HN -0.997 7.071 8.290 -0.250 0.072 0.475 201 N N 2.174 120.819 118.700 -0.092 0.000 2.018 201 N HA -0.553 4.145 4.740 -0.070 0.000 0.197 201 N C 2.101 177.571 175.510 -0.067 0.000 1.071 201 N CA 4.302 57.311 53.050 -0.068 0.000 0.887 201 N CB -0.179 38.280 38.487 -0.045 0.000 1.077 201 N HN 0.327 8.658 8.380 -0.081 0.000 0.469 202 N N 0.101 118.770 118.700 -0.052 0.000 2.187 202 N HA -0.432 4.286 4.740 -0.038 0.000 0.194 202 N C 1.440 176.915 175.510 -0.058 0.000 1.002 202 N CA 3.126 56.150 53.050 -0.045 0.000 0.882 202 N CB -0.346 38.122 38.487 -0.031 0.000 1.003 202 N HN 0.182 8.536 8.380 -0.044 0.000 0.443 203 A N -0.113 122.658 122.820 -0.081 0.000 1.872 203 A HA -0.263 4.008 4.320 -0.082 0.000 0.214 203 A C 1.473 178.990 177.584 -0.112 0.000 1.187 203 A CA 2.555 54.532 52.037 -0.100 0.000 0.614 203 A CB -0.611 18.308 19.000 -0.135 0.000 0.826 203 A HN -0.108 7.867 8.150 -0.087 0.122 0.442 204 A N -0.701 122.043 122.820 -0.125 0.000 1.873 204 A HA -0.432 3.791 4.320 -0.161 0.000 0.218 204 A C 1.693 179.223 177.584 -0.090 0.000 1.193 204 A CA 3.334 55.295 52.037 -0.127 0.000 0.629 204 A CB -0.633 18.296 19.000 -0.119 0.000 0.826 204 A HN 0.743 8.611 8.150 -0.126 0.207 0.447 205 A N -2.831 119.948 122.820 -0.069 0.000 1.902 205 A HA -0.317 3.974 4.320 -0.047 0.000 0.217 205 A C 1.895 179.451 177.584 -0.046 0.000 1.181 205 A CA 2.917 54.924 52.037 -0.050 0.000 0.623 205 A CB -0.797 18.179 19.000 -0.039 0.000 0.818 205 A HN -0.244 7.865 8.150 -0.068 0.000 0.443 206 E N -1.182 118.988 120.200 -0.051 0.000 2.085 206 E HA -0.404 3.926 4.350 -0.034 0.000 0.194 206 E C 2.129 178.702 176.600 -0.044 0.000 0.994 206 E CA 2.603 58.977 56.400 -0.043 0.000 0.801 206 E CB -0.547 29.126 29.700 -0.046 0.000 0.743 206 E HN -0.442 7.808 8.360 -0.057 0.076 0.453 207 S N -0.542 115.121 115.700 -0.061 0.000 2.353 207 S HA -0.373 4.066 4.470 -0.052 0.000 0.222 207 S C 2.258 176.833 174.600 -0.042 0.000 1.035 207 S CA 3.150 61.313 58.200 -0.061 0.000 1.025 207 S CB -0.311 62.834 63.200 -0.092 0.000 0.902 207 S HN -0.037 8.228 8.310 -0.076 0.000 0.440 208 R N 0.020 120.494 120.500 -0.043 0.000 2.096 208 R HA -0.375 3.950 4.340 -0.025 0.000 0.240 208 R C 2.285 178.577 176.300 -0.015 0.000 1.139 208 R CA 2.848 58.931 56.100 -0.028 0.000 0.952 208 R CB -0.414 29.868 30.300 -0.030 0.000 0.854 208 R HN -0.703 7.534 8.270 -0.054 0.000 0.436 209 K N -1.200 119.189 120.400 -0.018 0.000 2.071 209 K HA -0.305 4.008 4.320 -0.012 0.000 0.217 209 K C 2.389 178.989 176.600 -0.000 0.000 1.054 209 K CA 2.730 59.010 56.287 -0.012 0.000 0.937 209 K CB -0.957 31.533 32.500 -0.016 0.000 0.719 209 K HN -0.141 8.094 8.250 -0.026 0.000 0.454 210 G N -2.336 106.465 108.800 0.001 0.000 2.524 210 G HA2 -0.337 3.639 3.960 0.025 0.000 0.215 210 G HA3 -0.337 3.630 3.960 0.010 0.000 0.215 210 G C 1.225 176.145 174.900 0.032 0.000 1.239 210 G CA 1.430 46.541 45.100 0.017 0.000 0.798 210 G HN -0.710 7.580 8.290 -0.009 -0.005 0.557 211 Q N 2.086 121.898 119.800 0.020 0.000 1.991 211 Q HA -0.493 3.868 4.340 0.037 0.000 0.213 211 Q C 2.142 178.173 176.000 0.051 0.000 1.022 211 Q CA 3.392 59.212 55.803 0.030 0.000 0.877 211 Q CB -0.096 28.648 28.738 0.010 0.000 0.970 211 Q HN -0.590 7.683 8.270 0.005 0.000 0.414 212 E N -2.630 117.593 120.200 0.038 0.000 2.253 212 E HA -0.350 4.036 4.350 0.060 0.000 0.202 212 E C 2.445 179.095 176.600 0.085 0.000 1.014 212 E CA 2.596 59.028 56.400 0.053 0.000 0.823 212 E CB -0.490 29.228 29.700 0.029 0.000 0.736 212 E HN -0.232 8.140 8.360 0.021 0.000 0.478 213 R N -1.584 118.960 120.500 0.073 0.000 2.051 213 R HA -0.212 4.162 4.340 0.057 0.000 0.225 213 R C 2.127 178.536 176.300 0.181 0.000 1.155 213 R CA 2.267 58.422 56.100 0.091 0.000 0.945 213 R CB -0.075 30.264 30.300 0.064 0.000 0.840 213 R HN 0.008 8.127 8.270 0.054 0.183 0.432 214 L N -0.128 121.197 121.223 0.171 0.000 1.991 214 L HA -0.396 4.111 4.340 0.278 0.000 0.221 214 L C 2.737 179.747 176.870 0.233 0.000 1.079 214 L CA 3.262 58.223 54.840 0.203 0.000 0.778 214 L CB -0.279 41.846 42.059 0.110 0.000 0.893 214 L HN 0.420 8.614 8.230 0.121 0.109 0.437 215 E N -1.761 118.545 120.200 0.177 0.000 2.114 215 E HA -0.549 3.922 4.350 0.201 0.000 0.199 215 E C 1.574 178.285 176.600 0.186 0.000 1.008 215 E CA 3.290 59.792 56.400 0.170 0.000 0.810 215 E CB -0.488 29.274 29.700 0.103 0.000 0.739 215 E HN -0.094 8.348 8.360 0.136 0.000 0.456 216 H N -0.788 118.350 119.070 0.114 0.000 2.422 216 H HA -0.244 4.399 4.556 0.145 0.000 0.298 216 H C 2.049 177.456 175.328 0.133 0.000 1.098 216 H CA 3.833 59.945 56.048 0.106 0.000 1.315 216 H CB 0.041 29.822 29.762 0.032 0.000 1.382 216 H HN -0.399 7.951 8.280 0.282 0.099 0.523 217 H N 0.855 120.073 119.070 0.247 0.000 2.267 217 H HA -0.332 4.383 4.556 0.265 0.000 0.302 217 H C 1.917 177.341 175.328 0.159 0.000 1.056 217 H CA 4.341 60.509 56.048 0.200 0.000 1.269 217 H CB 0.335 30.174 29.762 0.129 0.000 1.385 217 H HN 0.198 8.545 8.280 0.364 0.151 0.501 218 H N -0.598 118.619 119.070 0.244 0.000 2.400 218 H HA -0.363 4.273 4.556 0.132 0.000 0.295 218 H C 1.661 177.126 175.328 0.227 0.000 1.118 218 H CA 3.075 59.224 56.048 0.167 0.000 1.256 218 H CB -0.412 29.405 29.762 0.093 0.000 1.365 218 H HN -0.459 8.063 8.280 0.403 0.000 0.502 219 H N -2.593 116.223 119.070 -0.424 0.000 2.293 219 H HA -0.295 3.823 4.556 -0.730 0.000 0.300 219 H C 1.796 177.028 175.328 -0.161 0.000 1.082 219 H CA 1.836 57.611 56.048 -0.456 0.000 1.308 219 H CB 0.540 30.090 29.762 -0.352 0.000 1.375 219 H HN -0.484 7.774 8.280 -0.002 0.021 0.495 220 H N -1.477 117.541 119.070 -0.086 0.000 2.428 220 H HA -0.214 4.226 4.556 -0.193 0.000 0.296 220 H C 0.598 175.953 175.328 0.045 0.000 1.062 220 H CA 0.580 56.579 56.048 -0.082 0.000 1.350 220 H CB 0.760 30.499 29.762 -0.037 0.000 1.403 220 H HN -0.489 7.795 8.280 0.128 0.072 0.533 221 H N 0.000 118.940 119.070 -0.216 0.000 2.539 221 H HA 0.000 4.316 4.556 -0.401 0.000 0.296 221 H CA 0.000 55.921 56.048 -0.211 0.000 1.023 221 H CB 0.000 29.758 29.762 -0.006 0.000 1.292 221 H HN 0.000 8.150 8.280 0.137 0.212 0.496