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 1d9s_10_A DATA FIRST_RESID -5 DATA SEQUENCE GSPGIHMLGG SSDAGLATAA ARGQVETVRQ LLEAGADPNA LNRFGRRPIQ DATA SEQUENCE VMMMGSAQVA ELLLLHGAEP NCADPATLTR PVHDAAREGF LDTLVVLHRA DATA SEQUENCE GARLDVCDAW GRLPVDLAEE QGHRDIARYL HAATGD 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 -5 G HA2 0.000 nan 3.960 nan 0.000 0.244 -5 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 -5 G C 0.000 174.903 174.900 0.005 0.000 0.946 -5 G CA 0.000 45.102 45.100 0.003 0.000 0.502 -4 S N 2.908 118.611 115.700 0.005 0.000 3.310 -4 S HA -0.087 4.387 4.470 0.006 0.000 0.381 -4 S C -1.200 173.407 174.600 0.012 0.000 0.908 -4 S CA -0.053 58.152 58.200 0.008 0.000 1.333 -4 S CB -0.219 62.986 63.200 0.008 0.000 0.931 -4 S HN 0.017 8.329 8.310 0.003 0.000 0.570 -3 P HA 0.045 4.472 4.420 0.012 0.000 0.226 -3 P C 0.260 177.572 177.300 0.020 0.000 1.153 -3 P CA 0.744 63.852 63.100 0.013 0.000 0.777 -3 P CB 0.455 32.161 31.700 0.010 0.000 0.794 -2 G N -1.818 106.996 108.800 0.024 0.000 2.608 -2 G HA2 -0.015 3.972 3.960 0.045 0.000 0.210 -2 G HA3 -0.015 3.963 3.960 0.031 0.000 0.210 -2 G C 0.370 175.307 174.900 0.061 0.000 1.139 -2 G CA -0.373 44.751 45.100 0.039 0.000 0.812 -2 G HN -0.302 7.950 8.290 0.017 0.047 0.529 -1 I N -0.959 119.637 120.570 0.043 0.000 4.180 -1 I HA -0.725 3.465 4.170 0.032 0.000 0.103 -1 I C -0.515 175.655 176.117 0.089 0.000 0.563 -1 I CA 2.603 63.934 61.300 0.052 0.000 1.077 -1 I CB -0.620 37.410 38.000 0.049 0.000 0.953 -1 I HN -0.227 7.999 8.210 0.027 0.000 0.197 0 H N -1.056 118.011 119.070 -0.006 0.000 2.423 0 H HA -0.173 4.380 4.556 -0.006 0.000 0.297 0 H C 0.120 175.444 175.328 -0.008 0.000 1.075 0 H CA 1.059 57.103 56.048 -0.006 0.000 1.342 0 H CB 0.653 30.411 29.762 -0.006 0.000 1.395 0 H HN 0.309 8.622 8.280 0.193 0.083 0.530 1 M N -0.297 119.260 119.600 -0.072 0.000 2.246 1 M HA -0.144 4.203 4.480 -0.223 0.000 0.350 1 M C -0.388 175.848 176.300 -0.108 0.000 1.406 1 M CA 0.543 55.764 55.300 -0.132 0.000 1.089 1 M CB 0.526 33.097 32.600 -0.049 0.000 1.782 1 M HN -0.776 7.414 8.290 0.034 0.120 0.457 2 L N 5.701 126.847 121.223 -0.128 0.000 2.984 2 L HA 0.207 4.509 4.340 -0.063 0.000 0.246 2 L C -0.027 176.806 176.870 -0.062 0.000 1.268 2 L CA -0.042 54.747 54.840 -0.084 0.000 1.054 2 L CB -0.103 41.898 42.059 -0.096 0.000 1.393 2 L HN 0.206 8.337 8.230 -0.165 0.000 0.532 3 G N -1.768 107.000 108.800 -0.054 0.000 2.173 3 G HA2 -0.256 3.685 3.960 -0.032 0.000 0.174 3 G HA3 -0.256 3.682 3.960 -0.036 0.000 0.174 3 G C 0.529 175.403 174.900 -0.043 0.000 1.025 3 G CA -0.673 44.403 45.100 -0.040 0.000 0.706 3 G HN -0.418 7.757 8.290 -0.058 0.081 0.499 4 G N -1.728 107.040 108.800 -0.052 0.000 3.209 4 G HA2 0.183 4.114 3.960 -0.048 0.000 0.274 4 G HA3 0.183 4.108 3.960 -0.059 0.000 0.274 4 G C -1.475 173.405 174.900 -0.033 0.000 0.850 4 G CA -0.086 44.985 45.100 -0.049 0.000 1.907 4 G HN 0.132 8.386 8.290 -0.060 0.000 0.591 5 S N 3.578 119.262 115.700 -0.026 0.000 3.624 5 S HA 0.165 4.625 4.470 -0.016 0.000 0.244 5 S C 0.188 174.780 174.600 -0.014 0.000 1.115 5 S CA 0.396 58.585 58.200 -0.017 0.000 0.820 5 S CB 1.402 64.594 63.200 -0.014 0.000 0.964 5 S HN -0.378 7.874 8.310 -0.027 0.041 0.508 6 S N -0.708 114.984 115.700 -0.013 0.000 3.078 6 S HA 0.196 4.660 4.470 -0.009 0.000 0.248 6 S C -1.060 173.536 174.600 -0.007 0.000 0.857 6 S CA -0.153 58.042 58.200 -0.008 0.000 1.139 6 S CB 1.131 64.329 63.200 -0.003 0.000 1.186 6 S HN 0.218 8.519 8.310 -0.014 0.000 0.567 7 D N 3.872 124.264 120.400 -0.013 0.000 2.084 7 D HA -0.246 4.391 4.640 -0.006 0.000 0.194 7 D C 0.589 176.883 176.300 -0.009 0.000 0.990 7 D CA 2.911 56.904 54.000 -0.011 0.000 0.826 7 D CB 0.190 40.978 40.800 -0.020 0.000 0.971 7 D HN 0.007 8.366 8.370 -0.018 0.000 0.453 8 A N -3.732 119.078 122.820 -0.015 0.000 2.415 8 A HA 0.208 4.524 4.320 -0.005 0.000 0.248 8 A C 0.407 177.988 177.584 -0.005 0.000 1.299 8 A CA -0.480 51.550 52.037 -0.012 0.000 0.899 8 A CB -0.957 18.026 19.000 -0.027 0.000 0.997 8 A HN 0.116 8.252 8.150 -0.022 0.000 0.506 9 G N -0.803 107.995 108.800 -0.004 0.000 2.408 9 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 9 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 9 G C 0.558 175.459 174.900 0.002 0.000 1.150 9 G CA 2.022 47.122 45.100 -0.001 0.000 0.776 9 G HN -0.428 7.640 8.290 -0.005 0.218 0.542 10 L N -2.267 118.957 121.223 0.002 0.000 2.187 10 L HA -0.263 4.073 4.340 -0.007 0.000 0.213 10 L C 1.391 178.259 176.870 -0.003 0.000 1.100 10 L CA 2.711 57.550 54.840 -0.002 0.000 0.765 10 L CB -1.133 40.929 42.059 0.004 0.000 0.904 10 L HN -0.326 7.897 8.230 0.004 0.010 0.437 11 A N -1.194 121.630 122.820 0.006 0.000 1.878 11 A HA -0.024 4.299 4.320 0.006 0.000 0.213 11 A C 1.877 179.475 177.584 0.023 0.000 1.192 11 A CA 2.443 54.489 52.037 0.015 0.000 0.619 11 A CB -0.097 18.920 19.000 0.028 0.000 0.837 11 A HN -0.650 7.361 8.150 0.007 0.143 0.446 12 T N -0.381 114.190 114.554 0.028 0.000 2.674 12 T HA -0.409 3.977 4.350 0.059 0.000 0.265 12 T C 1.765 176.474 174.700 0.015 0.000 1.039 12 T CA 3.671 65.792 62.100 0.036 0.000 1.150 12 T CB -0.616 68.271 68.868 0.031 0.000 0.864 12 T HN -0.502 7.751 8.240 0.022 0.000 0.427 13 A N -0.270 122.552 122.820 0.004 0.000 1.978 13 A HA -0.269 4.048 4.320 -0.004 0.000 0.220 13 A C 1.624 179.198 177.584 -0.017 0.000 1.170 13 A CA 2.757 54.791 52.037 -0.006 0.000 0.636 13 A CB -0.931 18.064 19.000 -0.009 0.000 0.810 13 A HN 0.122 8.275 8.150 0.005 0.000 0.448 14 A N -2.123 120.685 122.820 -0.021 0.000 1.929 14 A HA -0.197 4.093 4.320 -0.051 0.000 0.216 14 A C 2.082 179.641 177.584 -0.042 0.000 1.176 14 A CA 2.439 54.453 52.037 -0.040 0.000 0.628 14 A CB -0.755 18.221 19.000 -0.040 0.000 0.816 14 A HN -0.506 7.532 8.150 -0.013 0.105 0.444 15 A N -1.333 121.474 122.820 -0.022 0.000 2.019 15 A HA -0.195 4.161 4.320 -0.037 -0.058 0.219 15 A C 1.591 179.158 177.584 -0.028 0.000 1.164 15 A CA 2.583 54.606 52.037 -0.023 0.000 0.644 15 A CB -0.358 18.645 19.000 0.005 0.000 0.805 15 A HN 0.229 8.283 8.150 -0.007 0.091 0.449 16 R N -4.247 116.240 120.500 -0.021 0.000 2.254 16 R HA -0.066 4.263 4.340 -0.019 0.000 0.195 16 R C -0.227 176.055 176.300 -0.030 0.000 0.957 16 R CA 0.253 56.342 56.100 -0.020 0.000 1.024 16 R CB 0.642 30.936 30.300 -0.010 0.000 0.952 16 R HN -0.624 7.503 8.270 -0.017 0.133 0.484 17 G N -0.924 107.851 108.800 -0.041 0.000 2.526 17 G HA2 -0.296 3.619 3.960 -0.074 0.000 0.225 17 G HA3 -0.296 3.635 3.960 -0.048 0.000 0.225 17 G C -0.809 174.067 174.900 -0.039 0.000 1.120 17 G CA -0.486 44.583 45.100 -0.052 0.000 0.904 17 G HN -0.730 7.372 8.290 -0.042 0.164 0.498 18 Q N 0.033 119.810 119.800 -0.037 0.000 2.788 18 Q HA 0.436 4.761 4.340 -0.024 0.000 0.261 18 Q C -0.737 175.243 176.000 -0.034 0.000 1.029 18 Q CA -1.192 54.594 55.803 -0.028 0.000 0.848 18 Q CB -0.012 28.715 28.738 -0.019 0.000 1.185 18 Q HN -0.251 7.995 8.270 -0.041 0.000 0.482 19 V N 4.456 124.347 119.914 -0.039 0.000 2.407 19 V HA -0.546 3.542 4.120 -0.053 0.000 0.248 19 V C 1.169 177.242 176.094 -0.035 0.000 1.055 19 V CA 4.365 66.638 62.300 -0.044 0.000 1.049 19 V CB 0.051 31.847 31.823 -0.045 0.000 0.662 19 V HN 0.365 8.531 8.190 -0.039 0.000 0.455 20 E N -0.964 119.221 120.200 -0.025 0.000 2.085 20 E HA -0.373 3.966 4.350 -0.018 0.000 0.194 20 E C 2.393 178.984 176.600 -0.016 0.000 0.994 20 E CA 3.615 60.004 56.400 -0.018 0.000 0.801 20 E CB -0.674 29.018 29.700 -0.013 0.000 0.743 20 E HN 0.374 8.711 8.360 -0.023 0.009 0.453 21 T N 0.974 115.519 114.554 -0.016 0.000 2.746 21 T HA -0.306 4.040 4.350 -0.008 0.000 0.267 21 T C 1.655 176.347 174.700 -0.013 0.000 1.039 21 T CA 4.362 66.456 62.100 -0.011 0.000 1.142 21 T CB -0.072 68.790 68.868 -0.011 0.000 0.866 21 T HN -0.223 8.007 8.240 -0.017 0.000 0.444 22 V N 0.243 120.144 119.914 -0.021 0.000 2.667 22 V HA -0.337 3.774 4.120 -0.015 0.000 0.252 22 V C 1.631 177.707 176.094 -0.031 0.000 1.065 22 V CA 2.448 64.732 62.300 -0.025 0.000 1.083 22 V CB -1.386 30.414 31.823 -0.039 0.000 0.692 22 V HN -0.265 7.910 8.190 -0.026 0.000 0.468 23 R N 0.369 120.849 120.500 -0.034 0.000 2.070 23 R HA -0.247 4.116 4.340 -0.062 -0.060 0.233 23 R C 2.840 179.136 176.300 -0.007 0.000 1.137 23 R CA 3.267 59.346 56.100 -0.035 0.000 0.945 23 R CB -0.681 29.601 30.300 -0.030 0.000 0.845 23 R HN 0.356 8.383 8.270 -0.031 0.224 0.430 24 Q N -1.834 117.965 119.800 -0.001 0.000 2.297 24 Q HA -0.163 4.186 4.340 0.015 0.000 0.204 24 Q C 2.641 178.652 176.000 0.017 0.000 0.962 24 Q CA 2.461 58.270 55.803 0.010 0.000 0.879 24 Q CB -0.099 28.642 28.738 0.005 0.000 0.947 24 Q HN -0.665 7.601 8.270 -0.007 0.000 0.462 25 L N 0.715 121.947 121.223 0.014 0.000 1.993 25 L HA -0.313 4.036 4.340 0.016 0.000 0.206 25 L C 1.414 178.309 176.870 0.042 0.000 1.074 25 L CA 3.160 58.011 54.840 0.019 0.000 0.746 25 L CB -0.003 42.062 42.059 0.011 0.000 0.896 25 L HN -0.629 7.470 8.230 0.005 0.134 0.435 26 L N -2.506 118.754 121.223 0.061 0.000 2.012 26 L HA -0.428 3.985 4.340 0.123 0.000 0.210 26 L C 3.129 180.102 176.870 0.171 0.000 1.073 26 L CA 2.970 57.895 54.840 0.143 0.000 0.748 26 L CB -0.251 41.914 42.059 0.178 0.000 0.891 26 L HN -0.513 7.738 8.230 0.035 0.000 0.431 27 E N -1.717 118.575 120.200 0.154 0.000 2.110 27 E HA -0.328 4.118 4.350 0.160 0.000 0.193 27 E C 1.210 177.844 176.600 0.057 0.000 0.988 27 E CA 2.585 59.057 56.400 0.120 0.000 0.804 27 E CB -0.155 29.594 29.700 0.083 0.000 0.745 27 E HN -0.582 7.844 8.360 0.111 0.000 0.458 28 A N -2.122 120.724 122.820 0.042 0.000 1.825 28 A HA -0.056 4.274 4.320 0.018 0.000 0.214 28 A C 0.620 178.213 177.584 0.015 0.000 1.206 28 A CA 1.493 53.543 52.037 0.022 0.000 0.609 28 A CB 0.910 19.921 19.000 0.018 0.000 0.851 28 A HN -0.557 7.513 8.150 0.047 0.107 0.445 29 G N -3.471 105.339 108.800 0.017 0.000 4.357 29 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.234 29 G HA3 -0.049 3.912 3.960 0.001 0.000 0.234 29 G C -2.333 172.572 174.900 0.009 0.000 3.600 29 G CA 0.429 45.532 45.100 0.005 0.000 0.615 29 G HN -0.441 7.864 8.290 0.024 0.000 0.209 30 A N 0.813 123.647 122.820 0.022 0.000 2.304 30 A HA 0.342 4.669 4.320 0.012 0.000 0.323 30 A C -0.984 176.615 177.584 0.024 0.000 1.195 30 A CA -1.424 50.627 52.037 0.023 0.000 0.826 30 A CB 1.806 20.828 19.000 0.036 0.000 1.184 30 A HN -0.821 7.351 8.150 0.036 0.000 0.496 31 D N 3.447 123.854 120.400 0.012 0.000 2.417 31 D HA 0.120 4.761 4.640 0.002 0.000 0.250 31 D C 0.269 176.583 176.300 0.024 0.000 1.166 31 D CA -1.970 52.036 54.000 0.009 0.000 0.881 31 D CB 1.943 42.743 40.800 -0.000 0.000 1.164 31 D HN 0.254 8.628 8.370 0.006 0.000 0.467 32 P HA -0.028 4.433 4.420 0.069 0.000 0.229 32 P C -0.619 176.700 177.300 0.031 0.000 1.160 32 P CA 1.142 64.273 63.100 0.053 0.000 0.777 32 P CB 0.374 32.115 31.700 0.069 0.000 0.814 33 N N -1.060 117.651 118.700 0.018 0.000 2.321 33 N HA 0.201 5.299 4.740 0.015 -0.349 0.242 33 N C -1.790 173.723 175.510 0.005 0.000 1.141 33 N CA -1.007 52.049 53.050 0.011 0.000 0.864 33 N CB 0.454 38.945 38.487 0.007 0.000 1.100 33 N HN -0.612 7.942 8.380 0.013 -0.166 0.510 34 A N 0.897 123.720 122.820 0.005 0.000 2.376 34 A HA 0.111 4.426 4.320 -0.008 0.000 0.298 34 A C -0.946 176.635 177.584 -0.004 0.000 1.271 34 A CA -0.540 51.496 52.037 -0.003 0.000 0.926 34 A CB -0.072 18.926 19.000 -0.003 0.000 1.141 34 A HN -0.789 7.288 8.150 0.011 0.080 0.539 35 L N 3.485 124.703 121.223 -0.009 0.000 2.476 35 L HA -0.124 4.218 4.340 0.003 0.000 0.264 35 L C 0.413 177.270 176.870 -0.022 0.000 1.224 35 L CA 0.518 55.353 54.840 -0.008 0.000 0.821 35 L CB 0.702 42.754 42.059 -0.011 0.000 1.101 35 L HN 0.068 8.292 8.230 -0.010 0.000 0.488 36 N N -0.020 118.668 118.700 -0.020 0.000 2.776 36 N HA 0.274 4.971 4.740 -0.072 0.000 0.319 36 N C 0.566 175.990 175.510 -0.144 0.000 1.316 36 N CA -0.916 52.097 53.050 -0.063 0.000 0.890 36 N CB 1.220 39.711 38.487 0.007 0.000 1.165 36 N HN -0.068 8.313 8.380 0.002 0.000 0.596 37 R N -0.463 119.837 120.500 -0.332 0.000 2.240 37 R HA -0.054 4.127 4.340 -0.265 0.000 0.203 37 R C -0.113 175.918 176.300 -0.448 0.000 1.011 37 R CA 2.208 58.039 56.100 -0.448 0.000 1.007 37 R CB -0.033 29.868 30.300 -0.666 0.000 0.911 37 R HN 0.553 8.586 8.270 -0.394 0.000 0.468 38 F N -1.822 118.122 119.950 -0.010 0.000 2.664 38 F HA 0.109 4.631 4.527 -0.009 0.000 0.301 38 F C 0.059 175.851 175.800 -0.013 0.000 1.126 38 F CA -1.884 56.109 58.000 -0.011 0.000 1.373 38 F CB -1.212 37.781 39.000 -0.013 0.000 1.042 38 F HN -0.645 7.420 8.300 -0.331 0.037 0.535 39 G N -0.334 108.517 108.800 0.085 0.000 2.341 39 G HA2 -0.504 3.470 3.960 0.023 0.000 0.292 39 G HA3 -0.504 3.486 3.960 0.050 0.000 0.292 39 G C -1.528 173.411 174.900 0.065 0.000 1.021 39 G CA 0.638 45.770 45.100 0.054 0.000 0.905 39 G HN -0.440 7.756 8.290 0.008 0.098 0.508 40 R N -3.735 116.819 120.500 0.088 0.000 2.873 40 R HA 0.437 4.913 4.340 0.045 -0.109 0.264 40 R C -0.352 175.977 176.300 0.048 0.000 1.026 40 R CA -1.740 54.401 56.100 0.069 0.000 1.002 40 R CB 3.242 33.604 30.300 0.103 0.000 1.174 40 R HN -0.517 7.803 8.270 0.107 0.013 0.488 41 R N 0.269 120.788 120.500 0.032 0.000 2.652 41 R HA 0.166 4.519 4.340 0.021 0.000 0.271 41 R C -0.587 175.728 176.300 0.024 0.000 1.129 41 R CA -2.407 53.707 56.100 0.023 0.000 1.200 41 R CB -1.469 28.841 30.300 0.017 0.000 1.146 41 R HN -0.349 8.176 8.270 0.027 -0.239 0.581 42 P HA -0.048 4.383 4.420 0.018 0.000 0.230 42 P C -0.278 177.021 177.300 -0.000 0.000 1.158 42 P CA 2.018 65.126 63.100 0.012 0.000 0.769 42 P CB 0.129 31.835 31.700 0.011 0.000 0.807 43 I N -4.770 115.798 120.570 -0.003 0.000 4.035 43 I HA -0.020 4.130 4.170 -0.033 0.000 0.321 43 I C 1.042 177.148 176.117 -0.018 0.000 1.289 43 I CA 0.941 62.230 61.300 -0.020 0.000 1.236 43 I CB 0.180 38.169 38.000 -0.018 0.000 1.076 43 I HN -0.148 8.005 8.210 0.004 0.060 0.418 44 Q N -1.399 118.399 119.800 -0.002 0.000 2.482 44 Q HA -0.168 4.168 4.340 -0.007 0.000 0.209 44 Q C 0.057 176.052 176.000 -0.007 0.000 0.961 44 Q CA 2.277 58.079 55.803 -0.002 0.000 0.945 44 Q CB 0.093 28.837 28.738 0.010 0.000 1.012 44 Q HN -0.245 7.913 8.270 0.006 0.116 0.515 45 V N -4.372 115.542 119.914 0.001 0.000 3.502 45 V HA 0.121 4.228 4.120 -0.022 0.000 0.288 45 V C -1.173 174.910 176.094 -0.018 0.000 1.461 45 V CA -1.190 61.111 62.300 0.002 0.000 1.029 45 V CB 0.759 32.621 31.823 0.066 0.000 0.843 45 V HN -0.722 7.399 8.190 0.003 0.071 0.438 46 M N -3.505 116.075 119.600 -0.033 0.000 2.207 46 M HA -0.091 4.459 4.480 -0.042 -0.096 0.311 46 M C 0.090 176.343 176.300 -0.077 0.000 1.127 46 M CA 0.565 55.831 55.300 -0.056 0.000 1.181 46 M CB 0.742 33.297 32.600 -0.075 0.000 1.409 46 M HN -0.732 7.429 8.290 -0.031 0.111 0.461 47 M N 0.621 120.168 119.600 -0.088 0.000 2.426 47 M HA -0.273 4.207 4.480 -0.070 -0.042 0.261 47 M C -0.247 175.974 176.300 -0.132 0.000 1.068 47 M CA 2.694 57.937 55.300 -0.094 0.000 1.066 47 M CB -0.125 32.419 32.600 -0.093 0.000 1.399 47 M HN 0.635 8.752 8.290 -0.083 0.122 0.449 48 M N -5.702 113.787 119.600 -0.186 0.000 2.856 48 M HA -0.278 4.039 4.480 -0.271 0.000 0.189 48 M C -0.861 175.192 176.300 -0.413 0.000 0.612 48 M CA 0.866 56.018 55.300 -0.246 0.000 0.673 48 M CB -1.242 31.281 32.600 -0.127 0.000 2.440 48 M HN -0.280 7.850 8.290 -0.176 0.054 0.437 49 G N -5.534 102.983 108.800 -0.472 0.000 3.863 49 G HA2 0.188 3.805 3.960 -0.571 0.000 0.290 49 G HA3 0.188 4.064 3.960 -0.140 0.000 0.290 49 G C -1.283 173.155 174.900 -0.770 0.000 1.018 49 G CA -0.676 44.110 45.100 -0.522 0.000 0.824 49 G HN 0.140 8.170 8.290 -0.352 0.049 0.507 50 S N -0.091 115.016 115.700 -0.989 0.000 2.680 50 S HA 0.125 4.419 4.470 -0.294 0.000 0.262 50 S C -0.180 174.150 174.600 -0.451 0.000 1.138 50 S CA -0.860 57.029 58.200 -0.519 0.000 1.072 50 S CB 0.921 63.981 63.200 -0.232 0.000 1.097 50 S HN -0.514 7.144 8.310 -0.983 0.062 0.468 51 A N 8.386 131.058 122.820 -0.248 0.000 2.024 51 A HA -0.099 4.145 4.320 -0.127 0.000 0.220 51 A C 1.279 178.825 177.584 -0.065 0.000 1.164 51 A CA 2.536 54.534 52.037 -0.065 0.000 0.643 51 A CB -0.079 19.017 19.000 0.159 0.000 0.806 51 A HN 0.815 8.957 8.150 -0.014 0.000 0.451 52 Q N -2.472 117.293 119.800 -0.058 0.000 2.234 52 Q HA -0.297 4.020 4.340 -0.039 0.000 0.206 52 Q C 2.125 178.076 176.000 -0.081 0.000 0.980 52 Q CA 3.415 59.186 55.803 -0.054 0.000 0.869 52 Q CB -0.262 28.450 28.738 -0.042 0.000 0.912 52 Q HN 0.108 8.315 8.270 -0.048 0.034 0.436 53 V N -0.555 119.294 119.914 -0.108 0.000 2.379 53 V HA -0.311 3.753 4.120 -0.093 0.000 0.243 53 V C 1.295 177.329 176.094 -0.100 0.000 1.035 53 V CA 2.619 64.856 62.300 -0.106 0.000 1.035 53 V CB -0.562 31.188 31.823 -0.122 0.000 0.673 53 V HN -0.224 7.748 8.190 -0.136 0.136 0.457 54 A N -0.404 122.348 122.820 -0.113 0.000 1.933 54 A HA -0.385 3.891 4.320 -0.072 0.000 0.218 54 A C 1.403 178.953 177.584 -0.056 0.000 1.175 54 A CA 3.300 55.288 52.037 -0.082 0.000 0.628 54 A CB -0.701 18.244 19.000 -0.092 0.000 0.814 54 A HN -0.610 7.450 8.150 -0.149 0.000 0.444 55 E N -1.393 118.773 120.200 -0.055 0.000 2.152 55 E HA -0.290 4.046 4.350 -0.023 0.000 0.192 55 E C 1.916 178.472 176.600 -0.073 0.000 0.983 55 E CA 2.551 58.926 56.400 -0.042 0.000 0.818 55 E CB 0.122 29.803 29.700 -0.031 0.000 0.758 55 E HN -0.108 8.202 8.360 -0.064 0.011 0.467 56 L N 0.238 121.397 121.223 -0.107 0.000 1.955 56 L HA -0.402 3.801 4.340 -0.229 0.000 0.213 56 L C 1.739 178.473 176.870 -0.226 0.000 1.072 56 L CA 3.217 57.941 54.840 -0.193 0.000 0.755 56 L CB -0.037 41.920 42.059 -0.169 0.000 0.888 56 L HN -0.797 7.292 8.230 -0.094 0.084 0.432 57 L N -3.832 117.315 121.223 -0.127 0.000 2.046 57 L HA -0.373 3.946 4.340 -0.036 0.000 0.208 57 L C 2.575 179.451 176.870 0.009 0.000 1.077 57 L CA 3.096 57.908 54.840 -0.047 0.000 0.747 57 L CB -0.340 41.705 42.059 -0.023 0.000 0.896 57 L HN -0.739 7.428 8.230 -0.105 0.000 0.432 58 L N -1.079 120.140 121.223 -0.006 0.000 1.970 58 L HA -0.350 4.009 4.340 0.032 0.000 0.212 58 L C 1.775 178.673 176.870 0.047 0.000 1.071 58 L CA 3.421 58.275 54.840 0.022 0.000 0.751 58 L CB -0.048 42.018 42.059 0.011 0.000 0.889 58 L HN -0.714 7.498 8.230 -0.030 0.000 0.432 59 L N -3.469 117.773 121.223 0.030 0.000 2.189 59 L HA -0.290 4.087 4.340 0.061 0.000 0.214 59 L C 0.807 177.784 176.870 0.179 0.000 1.097 59 L CA 2.494 57.376 54.840 0.071 0.000 0.764 59 L CB -0.601 41.477 42.059 0.032 0.000 0.900 59 L HN -0.313 7.913 8.230 -0.008 0.000 0.436 60 H N -2.089 116.982 119.070 0.001 0.000 2.268 60 H HA 0.083 4.639 4.556 0.000 0.000 0.313 60 H C 0.310 175.639 175.328 0.001 0.000 1.056 60 H CA 0.092 56.140 56.048 0.000 0.000 1.369 60 H CB 1.131 30.892 29.762 -0.002 0.000 1.422 60 H HN -0.751 7.479 8.280 0.156 0.144 0.520 61 G N -3.643 105.248 108.800 0.152 0.000 4.340 61 G HA2 -0.049 3.946 3.960 0.057 0.000 0.232 61 G HA3 -0.049 3.939 3.960 0.046 0.000 0.232 61 G C -2.392 172.542 174.900 0.057 0.000 3.572 61 G CA 0.024 45.165 45.100 0.069 0.000 0.648 61 G HN -0.126 8.277 8.290 0.188 0.000 0.221 62 A N -0.252 122.602 122.820 0.056 0.000 2.311 62 A HA 0.192 4.750 4.320 0.037 -0.216 0.272 62 A C -0.608 176.992 177.584 0.028 0.000 1.438 62 A CA -0.485 51.575 52.037 0.037 0.000 0.819 62 A CB 1.073 20.089 19.000 0.026 0.000 1.336 62 A HN -0.616 7.572 8.150 0.063 0.000 0.528 63 E N -2.003 118.210 120.200 0.022 0.000 2.916 63 E HA 0.359 4.722 4.350 0.021 0.000 0.217 63 E C -1.965 174.647 176.600 0.020 0.000 1.100 63 E CA -3.112 53.300 56.400 0.020 0.000 0.891 63 E CB 0.529 30.239 29.700 0.017 0.000 1.311 63 E HN 0.325 8.696 8.360 0.019 0.000 0.421 64 P HA -0.044 4.389 4.420 0.021 0.000 0.227 64 P C -0.649 176.667 177.300 0.026 0.000 1.161 64 P CA 0.975 64.090 63.100 0.025 0.000 0.788 64 P CB 0.712 32.432 31.700 0.033 0.000 0.822 65 N N -3.311 115.404 118.700 0.025 0.000 2.333 65 N HA -0.038 4.716 4.740 0.024 0.000 0.183 65 N C -0.382 175.139 175.510 0.019 0.000 1.030 65 N CA 1.220 54.284 53.050 0.023 0.000 0.867 65 N CB 0.273 38.774 38.487 0.023 0.000 1.027 65 N HN 0.125 8.492 8.380 0.025 0.028 0.435 66 C N 0.909 120.219 119.300 0.017 0.000 2.517 66 C HA -0.074 4.392 4.460 0.011 0.000 0.403 66 C C -0.132 174.865 174.990 0.012 0.000 1.467 66 C CA 0.482 59.508 59.018 0.013 0.000 1.542 66 C CB -0.421 27.326 27.740 0.012 0.000 2.482 66 C HN -0.084 8.156 8.230 0.018 0.000 0.610 67 A N 7.857 130.681 122.820 0.007 0.000 2.352 67 A HA 0.088 4.441 4.320 0.006 -0.029 0.299 67 A C -1.411 176.167 177.584 -0.010 0.000 1.160 67 A CA -1.108 50.929 52.037 0.000 0.000 0.933 67 A CB 2.522 21.521 19.000 -0.002 0.000 1.387 67 A HN -0.162 7.992 8.150 0.006 0.000 0.487 68 D N -1.500 118.884 120.400 -0.026 0.000 2.348 68 D HA 0.276 4.909 4.640 -0.011 0.000 0.253 68 D C -0.167 176.111 176.300 -0.037 0.000 1.161 68 D CA -2.130 51.852 54.000 -0.029 0.000 0.876 68 D CB 1.185 41.957 40.800 -0.047 0.000 1.160 68 D HN -0.074 8.163 8.370 -0.036 0.111 0.459 69 P HA -0.052 4.360 4.420 -0.012 0.000 0.233 69 P C -0.851 176.445 177.300 -0.008 0.000 1.167 69 P CA 1.309 64.404 63.100 -0.009 0.000 0.770 69 P CB -0.145 31.557 31.700 0.004 0.000 0.837 70 A N -2.389 120.422 122.820 -0.016 0.000 1.970 70 A HA -0.043 4.295 4.320 0.030 0.000 0.216 70 A C 0.322 177.870 177.584 -0.059 0.000 1.170 70 A CA 1.774 53.809 52.037 -0.003 0.000 0.645 70 A CB 0.261 19.263 19.000 0.004 0.000 0.816 70 A HN 0.262 8.347 8.150 -0.019 0.054 0.447 71 T N -3.172 111.294 114.554 -0.147 0.000 3.403 71 T HA 0.149 4.212 4.350 -0.478 0.000 0.308 71 T C -0.703 173.803 174.700 -0.325 0.000 0.952 71 T CA -0.328 61.565 62.100 -0.345 0.000 0.970 71 T CB 2.081 70.730 68.868 -0.365 0.000 1.189 71 T HN -0.661 7.509 8.240 -0.116 0.000 0.528 72 L N -0.623 120.489 121.223 -0.184 0.000 3.839 72 L HA -0.420 3.922 4.340 -0.083 -0.052 0.416 72 L C -1.168 175.598 176.870 -0.174 0.000 1.195 72 L CA 1.114 55.870 54.840 -0.140 0.000 0.946 72 L CB -1.737 40.241 42.059 -0.136 0.000 1.891 72 L HN 0.071 8.225 8.230 -0.127 0.000 0.963 73 T N -1.781 112.656 114.554 -0.195 0.000 2.749 73 T HA 0.041 4.156 4.350 -0.392 0.000 0.295 73 T C -0.826 173.839 174.700 -0.057 0.000 0.936 73 T CA -0.081 61.883 62.100 -0.227 0.000 1.060 73 T CB 0.693 69.420 68.868 -0.234 0.000 0.904 73 T HN -0.667 7.443 8.240 -0.175 0.025 0.500 74 R N 4.834 125.382 120.500 0.080 0.000 2.549 74 R HA 0.278 4.646 4.340 0.047 0.000 0.259 74 R C -0.347 176.019 176.300 0.110 0.000 1.095 74 R CA -2.071 54.092 56.100 0.105 0.000 1.148 74 R CB 0.245 30.623 30.300 0.132 0.000 1.181 74 R HN -0.198 8.183 8.270 0.186 0.000 0.571 75 P HA 0.044 4.483 4.420 0.032 0.000 0.237 75 P C -0.019 177.297 177.300 0.026 0.000 1.178 75 P CA 1.876 64.997 63.100 0.035 0.000 0.766 75 P CB 0.180 31.891 31.700 0.018 0.000 0.876 76 V N -1.036 118.888 119.914 0.017 0.000 2.871 76 V HA -0.311 3.785 4.120 -0.040 0.000 0.256 76 V C 1.737 177.767 176.094 -0.107 0.000 1.082 76 V CA 3.180 65.444 62.300 -0.060 0.000 1.105 76 V CB -0.405 31.347 31.823 -0.118 0.000 0.713 76 V HN -0.078 8.074 8.190 0.043 0.065 0.473 77 H N 0.336 119.390 119.070 -0.027 0.000 2.307 77 H HA -0.361 4.184 4.556 -0.019 0.000 0.303 77 H C 1.861 177.173 175.328 -0.027 0.000 1.073 77 H CA 5.227 61.259 56.048 -0.027 0.000 1.338 77 H CB 0.221 29.958 29.762 -0.042 0.000 1.389 77 H HN -0.734 7.614 8.280 0.160 0.029 0.503 78 D N -1.283 119.177 120.400 0.099 0.000 2.104 78 D HA -0.349 4.309 4.640 0.030 0.000 0.194 78 D C 1.753 178.048 176.300 -0.008 0.000 0.994 78 D CA 3.545 57.562 54.000 0.028 0.000 0.830 78 D CB -0.150 40.654 40.800 0.006 0.000 0.959 78 D HN -0.465 7.977 8.370 0.119 0.000 0.452 79 A N -2.126 120.685 122.820 -0.016 0.000 2.019 79 A HA -0.284 4.013 4.320 -0.039 0.000 0.219 79 A C 0.767 178.324 177.584 -0.044 0.000 1.164 79 A CA 2.815 54.835 52.037 -0.028 0.000 0.644 79 A CB -0.449 18.540 19.000 -0.017 0.000 0.805 79 A HN -0.540 7.607 8.150 -0.004 0.000 0.449 80 A N -3.084 119.708 122.820 -0.047 0.000 2.081 80 A HA -0.189 4.082 4.320 -0.082 0.000 0.214 80 A C 1.209 178.744 177.584 -0.082 0.000 1.158 80 A CA 1.722 53.721 52.037 -0.063 0.000 0.724 80 A CB -0.372 18.602 19.000 -0.042 0.000 0.826 80 A HN -0.664 7.321 8.150 -0.029 0.148 0.463 81 R N -1.951 118.530 120.500 -0.031 0.000 2.115 81 R HA -0.254 4.177 4.340 0.152 0.000 0.226 81 R C 1.893 178.159 176.300 -0.057 0.000 1.100 81 R CA 2.657 58.781 56.100 0.040 0.000 0.980 81 R CB -0.065 30.266 30.300 0.052 0.000 0.875 81 R HN -0.318 7.790 8.270 -0.014 0.153 0.445 82 E N -4.392 115.694 120.200 -0.191 0.000 2.140 82 E HA -0.034 4.302 4.350 -0.024 0.000 0.191 82 E C 0.178 176.433 176.600 -0.575 0.000 0.973 82 E CA 0.706 56.998 56.400 -0.180 0.000 0.829 82 E CB 1.223 30.902 29.700 -0.036 0.000 0.781 82 E HN -0.751 7.506 8.360 -0.141 0.018 0.466 83 G N -1.566 106.779 108.800 -0.758 0.000 2.427 83 G HA2 -0.302 3.273 3.960 -0.641 0.000 0.193 83 G HA3 -0.302 3.249 3.960 -0.681 0.000 0.193 83 G C -1.037 173.759 174.900 -0.173 0.000 1.086 83 G CA 0.022 44.716 45.100 -0.677 0.000 0.818 83 G HN -0.644 7.355 8.290 -0.486 0.000 0.490 84 F N 0.980 120.805 119.950 -0.208 0.000 2.366 84 F HA 0.311 4.775 4.527 -0.106 0.000 0.366 84 F C -0.993 174.730 175.800 -0.128 0.000 1.096 84 F CA -1.803 56.119 58.000 -0.130 0.000 1.060 84 F CB 1.541 40.474 39.000 -0.112 0.000 1.282 84 F HN -0.679 7.628 8.300 0.013 0.000 0.450 85 L N 5.816 126.956 121.223 -0.138 0.000 2.313 85 L HA -0.252 3.996 4.340 -0.153 0.000 0.214 85 L C 0.709 177.504 176.870 -0.125 0.000 1.119 85 L CA 2.309 57.051 54.840 -0.164 0.000 0.809 85 L CB 0.042 41.965 42.059 -0.227 0.000 0.933 85 L HN 0.350 8.405 8.230 -0.292 0.000 0.449 86 D N -1.772 118.627 120.400 -0.002 0.000 2.123 86 D HA -0.289 4.338 4.640 -0.022 0.000 0.196 86 D C 1.983 178.346 176.300 0.104 0.000 0.992 86 D CA 3.860 57.910 54.000 0.084 0.000 0.833 86 D CB -0.560 40.400 40.800 0.266 0.000 0.954 86 D HN 0.242 8.535 8.370 -0.076 0.032 0.455 87 T N 1.546 116.211 114.554 0.186 0.000 2.857 87 T HA -0.239 4.127 4.350 0.027 0.000 0.266 87 T C 1.425 176.141 174.700 0.026 0.000 1.048 87 T CA 4.651 66.784 62.100 0.056 0.000 1.139 87 T CB -0.020 68.852 68.868 0.007 0.000 0.874 87 T HN -0.630 7.853 8.240 0.405 0.000 0.455 88 L N 1.496 122.724 121.223 0.009 0.000 2.012 88 L HA -0.373 3.989 4.340 0.037 0.000 0.210 88 L C 1.705 178.595 176.870 0.034 0.000 1.073 88 L CA 3.881 58.724 54.840 0.005 0.000 0.748 88 L CB -0.174 41.857 42.059 -0.046 0.000 0.891 88 L HN -0.729 7.516 8.230 0.025 0.000 0.431 89 V N -1.488 118.362 119.914 -0.106 0.000 2.343 89 V HA -0.466 3.744 4.120 0.150 0.000 0.247 89 V C 2.150 178.300 176.094 0.093 0.000 1.051 89 V CA 4.068 66.361 62.300 -0.012 0.000 1.036 89 V CB -0.191 31.544 31.823 -0.148 0.000 0.654 89 V HN -0.262 7.812 8.190 -0.193 0.000 0.451 90 V N -0.322 119.621 119.914 0.047 0.000 2.287 90 V HA -0.469 3.679 4.120 0.046 0.000 0.248 90 V C 2.080 178.222 176.094 0.079 0.000 1.053 90 V CA 3.629 65.960 62.300 0.051 0.000 1.027 90 V CB -1.008 30.831 31.823 0.025 0.000 0.646 90 V HN -0.805 7.320 8.190 0.018 0.075 0.447 91 L N -0.985 120.290 121.223 0.087 0.000 1.989 91 L HA -0.508 3.874 4.340 0.071 0.000 0.211 91 L C 1.786 178.759 176.870 0.172 0.000 1.071 91 L CA 4.327 59.225 54.840 0.097 0.000 0.749 91 L CB -0.305 41.797 42.059 0.073 0.000 0.890 91 L HN 0.017 8.289 8.230 0.071 0.000 0.431 92 H N -1.512 117.609 119.070 0.085 0.000 2.456 92 H HA -0.329 4.266 4.556 0.065 0.000 0.296 92 H C 2.546 177.915 175.328 0.069 0.000 1.079 92 H CA 2.024 58.126 56.048 0.090 0.000 1.322 92 H CB 0.321 30.185 29.762 0.169 0.000 1.388 92 H HN -0.546 7.911 8.280 0.296 0.000 0.538 93 R N -0.883 119.701 120.500 0.140 0.000 2.070 93 R HA -0.296 4.042 4.340 -0.003 0.000 0.227 93 R C 1.638 177.960 176.300 0.036 0.000 1.147 93 R CA 2.440 58.568 56.100 0.045 0.000 0.924 93 R CB 0.014 30.344 30.300 0.050 0.000 0.827 93 R HN -0.325 7.910 8.270 0.174 0.139 0.431 94 A N -3.875 118.975 122.820 0.050 0.000 2.032 94 A HA -0.149 4.190 4.320 0.032 0.000 0.221 94 A C 0.173 177.784 177.584 0.044 0.000 1.165 94 A CA 1.229 53.291 52.037 0.042 0.000 0.645 94 A CB 0.675 19.702 19.000 0.045 0.000 0.807 94 A HN -0.508 7.677 8.150 0.058 0.000 0.453 95 G N -3.196 105.644 108.800 0.067 0.000 2.551 95 G HA2 -0.234 3.779 3.960 0.089 0.000 0.604 95 G HA3 -0.234 3.757 3.960 0.051 0.000 0.604 95 G C -2.323 172.629 174.900 0.085 0.000 1.116 95 G CA -0.378 44.767 45.100 0.074 0.000 1.285 95 G HN -0.513 7.799 8.290 0.089 0.031 0.586 96 A N 2.508 125.402 122.820 0.123 0.000 2.398 96 A HA 0.477 5.048 4.320 0.058 -0.216 0.301 96 A C -1.174 176.449 177.584 0.065 0.000 1.041 96 A CA -1.401 50.685 52.037 0.080 0.000 0.711 96 A CB 3.236 22.279 19.000 0.072 0.000 1.240 96 A HN -0.255 8.013 8.150 0.196 0.000 0.420 97 R N 3.997 124.517 120.500 0.033 0.000 2.543 97 R HA -0.044 4.303 4.340 0.012 0.000 0.277 97 R C -0.827 175.451 176.300 -0.036 0.000 1.074 97 R CA 0.787 56.890 56.100 0.005 0.000 1.076 97 R CB 0.754 31.059 30.300 0.010 0.000 0.993 97 R HN 0.578 9.301 8.270 0.033 -0.434 0.459 98 L N 1.563 122.738 121.223 -0.081 0.000 2.966 98 L HA 0.264 4.539 4.340 -0.108 0.000 0.262 98 L C -0.770 176.035 176.870 -0.109 0.000 1.165 98 L CA 0.283 55.050 54.840 -0.123 0.000 0.978 98 L CB 1.018 42.950 42.059 -0.213 0.000 1.337 98 L HN 0.401 8.584 8.230 -0.078 0.000 0.563 99 D N -0.004 120.353 120.400 -0.072 0.000 2.741 99 D HA 0.030 4.624 4.640 -0.077 0.000 0.233 99 D C -1.572 174.717 176.300 -0.019 0.000 1.160 99 D CA -0.339 53.627 54.000 -0.056 0.000 1.003 99 D CB -1.319 39.453 40.800 -0.046 0.000 1.064 99 D HN -0.032 8.303 8.370 -0.057 0.000 0.503 100 V N -0.356 119.560 119.914 0.003 0.000 3.007 100 V HA 0.405 4.548 4.120 0.038 0.000 0.311 100 V C -2.281 173.911 176.094 0.164 0.000 1.120 100 V CA -1.738 60.603 62.300 0.068 0.000 0.980 100 V CB 4.054 35.931 31.823 0.089 0.000 1.033 100 V HN -0.707 7.418 8.190 -0.031 0.046 0.429 101 C N 5.265 124.627 119.300 0.103 0.000 2.562 101 C HA 0.560 5.320 4.460 0.225 -0.164 0.332 101 C C -1.018 173.892 174.990 -0.134 0.000 1.201 101 C CA -2.000 57.066 59.018 0.080 0.000 1.803 101 C CB 3.645 31.401 27.740 0.026 0.000 2.328 101 C HN 0.251 8.508 8.230 0.045 0.000 0.500 102 D N 2.940 123.155 120.400 -0.307 0.000 2.598 102 D HA -0.199 4.069 4.640 -0.621 0.000 0.231 102 D C 0.086 176.042 176.300 -0.573 0.000 1.127 102 D CA 1.688 55.369 54.000 -0.531 0.000 1.126 102 D CB -1.151 39.346 40.800 -0.505 0.000 1.124 102 D HN -0.237 8.032 8.370 -0.167 0.000 0.485 103 A N 3.339 125.894 122.820 -0.442 0.000 1.346 103 A HA -0.379 3.806 4.320 -0.224 0.000 0.342 103 A C -1.263 176.210 177.584 -0.184 0.000 1.689 103 A CA 2.449 54.226 52.037 -0.434 0.000 1.090 103 A CB -1.598 16.772 19.000 -1.050 0.000 1.472 103 A HN 0.692 8.613 8.150 -0.320 0.037 0.721 104 W N -3.350 117.935 121.300 -0.025 0.000 1.894 104 W HA 0.254 4.910 4.660 -0.008 0.000 0.342 104 W C -1.207 175.306 176.519 -0.010 0.000 0.861 104 W CA -2.382 54.955 57.345 -0.013 0.000 2.584 104 W CB 0.537 29.991 29.460 -0.011 0.000 1.373 104 W HN -0.177 7.147 8.180 -1.391 0.021 0.599 105 G N 0.313 109.089 108.800 -0.039 0.000 3.234 105 G HA2 0.246 4.279 3.960 0.123 0.000 0.159 105 G HA3 0.246 4.168 3.960 -0.063 0.000 0.159 105 G C -0.870 174.049 174.900 0.032 0.000 1.175 105 G CA -0.737 44.373 45.100 0.017 0.000 0.900 105 G HN -0.185 7.917 8.290 -0.166 0.088 0.621 106 R N -1.827 118.696 120.500 0.037 0.000 2.748 106 R HA 0.087 4.457 4.340 0.051 0.000 0.220 106 R C -1.537 174.832 176.300 0.115 0.000 1.404 106 R CA -1.017 55.120 56.100 0.062 0.000 1.039 106 R CB 1.351 31.686 30.300 0.059 0.000 1.904 106 R HN -0.070 8.216 8.270 0.026 0.000 0.529 107 L N -2.440 118.839 121.223 0.093 0.000 2.416 107 L HA 0.639 5.277 4.340 0.184 -0.188 0.263 107 L C -0.629 176.245 176.870 0.006 0.000 1.065 107 L CA -2.177 52.714 54.840 0.084 0.000 0.798 107 L CB 0.230 42.272 42.059 -0.029 0.000 1.267 107 L HN -0.539 7.940 8.230 0.051 -0.218 0.467 108 P HA -0.109 4.082 4.420 -0.381 0.000 0.223 108 P C 0.847 178.059 177.300 -0.148 0.000 1.151 108 P CA 2.140 64.944 63.100 -0.493 0.000 0.787 108 P CB 0.117 31.354 31.700 -0.773 0.000 0.788 109 V N -3.187 116.666 119.914 -0.102 0.000 2.667 109 V HA -0.266 3.857 4.120 0.004 0.000 0.252 109 V C 0.042 176.153 176.094 0.028 0.000 1.065 109 V CA 2.502 64.791 62.300 -0.018 0.000 1.083 109 V CB -0.172 31.629 31.823 -0.037 0.000 0.692 109 V HN -0.090 7.983 8.190 -0.134 0.036 0.468 110 D N 0.183 120.597 120.400 0.024 0.000 2.183 110 D HA -0.113 4.559 4.640 0.052 0.000 0.205 110 D C 2.291 178.628 176.300 0.061 0.000 0.962 110 D CA 3.111 57.139 54.000 0.047 0.000 0.849 110 D CB 0.146 40.973 40.800 0.044 0.000 0.978 110 D HN -0.686 7.553 8.370 0.003 0.132 0.488 111 L N -0.191 121.077 121.223 0.074 0.000 2.187 111 L HA -0.248 4.141 4.340 0.083 0.000 0.213 111 L C 1.568 178.508 176.870 0.116 0.000 1.100 111 L CA 2.604 57.502 54.840 0.096 0.000 0.765 111 L CB -0.114 42.023 42.059 0.130 0.000 0.904 111 L HN -0.651 7.620 8.230 0.069 0.000 0.437 112 A N -0.932 121.962 122.820 0.123 0.000 1.855 112 A HA -0.169 4.373 4.320 0.370 0.000 0.213 112 A C 2.449 180.087 177.584 0.090 0.000 1.195 112 A CA 2.333 54.488 52.037 0.196 0.000 0.610 112 A CB -0.504 18.600 19.000 0.174 0.000 0.837 112 A HN -0.639 7.533 8.150 0.089 0.031 0.444 113 E N -1.638 118.602 120.200 0.066 0.000 2.219 113 E HA -0.394 3.970 4.350 0.022 0.000 0.198 113 E C 2.297 178.898 176.600 0.002 0.000 0.998 113 E CA 2.707 59.126 56.400 0.031 0.000 0.818 113 E CB -0.305 29.422 29.700 0.046 0.000 0.741 113 E HN -0.528 7.878 8.360 0.077 0.000 0.477 114 E N -2.004 118.203 120.200 0.012 0.000 2.033 114 E HA -0.180 4.169 4.350 -0.003 0.000 0.189 114 E C 1.431 178.008 176.600 -0.039 0.000 0.979 114 E CA 1.683 58.082 56.400 -0.001 0.000 0.802 114 E CB 0.265 29.979 29.700 0.022 0.000 0.763 114 E HN -0.601 7.742 8.360 0.036 0.038 0.449 115 Q N -2.298 117.470 119.800 -0.053 0.000 1.942 115 Q HA -0.129 4.164 4.340 -0.079 0.000 0.203 115 Q C 1.018 176.847 176.000 -0.285 0.000 0.987 115 Q CA 1.544 57.264 55.803 -0.138 0.000 0.844 115 Q CB 1.265 29.944 28.738 -0.099 0.000 0.911 115 Q HN -0.564 7.705 8.270 -0.001 0.000 0.423 116 G N -3.552 104.943 108.800 -0.509 0.000 3.669 116 G HA2 -0.018 3.809 3.960 -0.221 0.000 0.230 116 G HA3 -0.018 3.725 3.960 -0.361 0.000 0.230 116 G C -1.056 173.521 174.900 -0.538 0.000 2.671 116 G CA 0.109 44.956 45.100 -0.422 0.000 0.975 116 G HN -0.477 7.464 8.290 -0.582 0.000 0.448 117 H N -0.274 118.802 119.070 0.010 0.000 2.355 117 H HA 0.404 4.958 4.556 -0.003 0.000 0.232 117 H C -0.596 174.738 175.328 0.009 0.000 1.422 117 H CA -1.977 54.075 56.048 0.006 0.000 1.261 117 H CB -0.250 29.521 29.762 0.015 0.000 1.595 117 H HN -0.354 7.713 8.280 -0.185 0.102 0.529 118 R N 1.138 121.679 120.500 0.068 0.000 2.105 118 R HA -0.469 3.900 4.340 0.049 0.000 0.239 118 R C 1.083 177.420 176.300 0.061 0.000 1.135 118 R CA 4.442 60.572 56.100 0.049 0.000 0.967 118 R CB -0.043 30.268 30.300 0.017 0.000 0.861 118 R HN 0.189 8.475 8.270 0.027 0.000 0.442 119 D N -1.304 119.132 120.400 0.059 0.000 2.097 119 D HA -0.238 4.425 4.640 0.039 0.000 0.195 119 D C 1.948 178.289 176.300 0.068 0.000 0.989 119 D CA 3.643 57.669 54.000 0.043 0.000 0.827 119 D CB -0.817 39.986 40.800 0.004 0.000 0.966 119 D HN 0.024 8.416 8.370 0.062 0.016 0.456 120 I N -1.016 119.599 120.570 0.075 0.000 2.546 120 I HA -0.258 3.954 4.170 0.071 0.000 0.255 120 I C 0.878 177.067 176.117 0.121 0.000 1.163 120 I CA 2.499 63.848 61.300 0.082 0.000 1.457 120 I CB 0.036 38.061 38.000 0.042 0.000 1.092 120 I HN -0.313 7.952 8.210 0.090 0.000 0.434 121 A N 0.795 123.685 122.820 0.117 0.000 1.872 121 A HA -0.309 4.073 4.320 0.105 0.000 0.214 121 A C 1.747 179.410 177.584 0.132 0.000 1.187 121 A CA 3.358 55.464 52.037 0.114 0.000 0.614 121 A CB -0.767 18.291 19.000 0.098 0.000 0.826 121 A HN 0.188 8.280 8.150 0.116 0.128 0.442 122 R N -1.236 119.331 120.500 0.112 0.000 2.080 122 R HA -0.421 3.951 4.340 0.055 0.000 0.236 122 R C 2.356 178.739 176.300 0.138 0.000 1.137 122 R CA 3.760 59.917 56.100 0.096 0.000 0.943 122 R CB -0.079 30.264 30.300 0.072 0.000 0.846 122 R HN -0.268 8.060 8.270 0.097 0.000 0.431 123 Y N -0.338 119.983 120.300 0.034 0.000 2.224 123 Y HA -0.350 4.223 4.550 0.039 0.000 0.289 123 Y C 1.867 177.776 175.900 0.015 0.000 1.146 123 Y CA 3.339 61.456 58.100 0.030 0.000 1.182 123 Y CB 0.110 38.581 38.460 0.019 0.000 0.983 123 Y HN -0.816 7.629 8.280 0.274 0.000 0.524 124 L N -2.296 119.005 121.223 0.130 0.000 2.072 124 L HA -0.488 3.827 4.340 -0.042 0.000 0.205 124 L C 2.233 179.088 176.870 -0.026 0.000 1.079 124 L CA 2.752 57.599 54.840 0.012 0.000 0.752 124 L CB -0.298 41.779 42.059 0.030 0.000 0.906 124 L HN -0.290 7.963 8.230 0.194 0.093 0.436 125 H N 0.020 119.060 119.070 -0.050 0.000 2.489 125 H HA -0.280 4.248 4.556 -0.046 0.000 0.295 125 H C 0.821 176.102 175.328 -0.078 0.000 1.082 125 H CA 3.341 59.358 56.048 -0.050 0.000 1.295 125 H CB 0.318 30.066 29.762 -0.024 0.000 1.380 125 H HN 0.632 8.904 8.280 0.175 0.113 0.548 126 A N -3.143 119.695 122.820 0.030 0.000 1.984 126 A HA -0.151 4.189 4.320 0.033 0.000 0.214 126 A C 0.724 178.236 177.584 -0.119 0.000 1.173 126 A CA 2.228 54.239 52.037 -0.044 0.000 0.673 126 A CB -0.255 18.669 19.000 -0.126 0.000 0.830 126 A HN -0.629 7.370 8.150 -0.004 0.149 0.453 127 A N -4.289 118.408 122.820 -0.206 0.000 2.115 127 A HA -0.011 4.215 4.320 -0.156 0.000 0.211 127 A C 0.811 178.287 177.584 -0.180 0.000 1.169 127 A CA 1.726 53.621 52.037 -0.237 0.000 0.787 127 A CB 0.782 19.491 19.000 -0.485 0.000 0.858 127 A HN -0.728 7.184 8.150 -0.226 0.101 0.474 128 T N -6.124 108.329 114.554 -0.169 0.000 3.014 128 T HA 0.088 4.358 4.350 -0.134 0.000 0.250 128 T C 1.607 176.205 174.700 -0.171 0.000 1.060 128 T CA 0.811 62.817 62.100 -0.157 0.000 1.040 128 T CB 1.382 70.152 68.868 -0.163 0.000 0.971 128 T HN 0.138 8.173 8.240 -0.167 0.105 0.497 129 G N 2.345 111.022 108.800 -0.203 0.000 2.604 129 G HA2 -0.253 3.509 3.960 -0.329 0.000 0.216 129 G HA3 -0.253 3.679 3.960 -0.194 -0.088 0.216 129 G C -0.956 173.877 174.900 -0.112 0.000 1.265 129 G CA 0.916 45.882 45.100 -0.224 0.000 0.804 129 G HN -0.458 7.640 8.290 -0.181 0.084 0.579 130 D N 0.000 120.360 120.400 -0.067 0.000 6.856 130 D HA 0.000 4.615 4.640 -0.041 0.000 0.175 130 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 130 D CB 0.000 40.784 40.800 -0.026 0.000 0.688 130 D HN 0.000 8.335 8.370 -0.059 0.000 0.683