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 1o37_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.189 4.170 0.032 0.000 0.288 16 I C 0.000 176.113 176.117 -0.007 0.000 1.063 16 I CA 0.000 61.301 61.300 0.003 0.000 1.566 16 I CB 0.000 37.969 38.000 -0.052 0.000 1.214 17 V N 5.339 125.259 119.914 0.011 0.000 2.483 17 V HA 0.268 4.531 4.120 -0.011 -0.150 0.295 17 V C 0.619 176.718 176.094 0.009 0.000 1.035 17 V CA -1.704 60.598 62.300 0.004 0.000 0.896 17 V CB 1.187 33.018 31.823 0.013 0.000 0.986 17 V HN 0.819 9.029 8.190 0.033 0.000 0.447 18 G N 6.408 115.208 108.800 -0.001 0.000 2.179 18 G HA2 -0.401 3.555 3.960 -0.007 0.000 0.257 18 G HA3 -0.401 3.712 3.960 -0.018 -0.163 0.257 18 G C -0.617 174.292 174.900 0.016 0.000 1.010 18 G CA 0.545 45.642 45.100 -0.004 0.000 0.736 18 G HN 0.779 9.066 8.290 -0.005 0.000 0.513 19 G N -1.072 107.737 108.800 0.014 0.000 2.583 19 G HA2 0.481 4.491 3.960 0.088 0.000 0.280 19 G HA3 0.481 4.464 3.960 -0.082 -0.073 0.280 19 G C -1.690 173.253 174.900 0.073 0.000 1.376 19 G CA -1.033 44.076 45.100 0.015 0.000 1.043 19 G HN -0.666 7.582 8.290 -0.005 0.039 0.538 20 Y N -5.959 114.325 120.300 -0.028 0.000 2.634 20 Y HA 0.398 4.933 4.550 -0.025 0.000 0.340 20 Y C -1.744 174.132 175.900 -0.040 0.000 1.058 20 Y CA -2.880 55.203 58.100 -0.029 0.000 1.081 20 Y CB 1.215 39.660 38.460 -0.025 0.000 1.295 20 Y HN 0.458 8.324 8.280 -0.507 0.110 0.487 21 T N 2.789 117.396 114.554 0.088 0.000 2.769 21 T HA 0.083 4.497 4.350 -0.094 -0.121 0.293 21 T C -0.101 174.619 174.700 0.034 0.000 0.931 21 T CA 1.302 63.403 62.100 0.001 0.000 1.139 21 T CB -0.201 68.695 68.868 0.047 0.000 0.881 21 T HN 0.122 8.475 8.240 0.188 0.000 0.532 22 c N 5.902 124.428 118.600 -0.124 0.000 2.425 22 c HA -0.135 4.446 4.570 0.018 0.000 0.277 22 c C 0.488 174.593 174.090 0.024 0.000 1.280 22 c CA 1.071 57.361 56.329 -0.066 0.000 1.744 22 c CB -0.380 42.019 42.510 -0.185 0.000 1.989 22 c HN 0.302 8.404 8.230 -0.215 0.000 0.491 23 G N -2.212 106.589 108.800 0.001 0.000 3.069 23 G HA2 -0.244 3.731 3.960 0.025 0.000 0.686 23 G HA3 -0.244 3.733 3.960 0.028 0.000 0.686 23 G C -1.792 173.106 174.900 -0.002 0.000 1.161 23 G CA -0.771 44.340 45.100 0.017 0.000 0.804 23 G HN -0.500 7.776 8.290 -0.024 0.000 0.608 24 A N 4.020 126.847 122.820 0.012 0.000 2.567 24 A HA -0.212 4.293 4.320 0.021 -0.173 0.240 24 A C -0.264 177.323 177.584 0.004 0.000 1.053 24 A CA 1.038 53.085 52.037 0.016 0.000 0.755 24 A CB 0.099 19.116 19.000 0.029 0.000 0.978 24 A HN 0.261 8.422 8.150 0.019 0.000 0.507 25 N N -2.636 116.063 118.700 -0.002 0.000 2.708 25 N HA -0.363 4.362 4.740 -0.024 0.000 0.249 25 N C 0.396 175.883 175.510 -0.039 0.000 1.097 25 N CA 1.498 54.538 53.050 -0.017 0.000 0.710 25 N CB -0.849 37.640 38.487 0.003 0.000 1.032 25 N HN 0.429 8.815 8.380 0.009 0.000 0.551 26 T N -3.778 110.743 114.554 -0.055 0.000 3.081 26 T HA 0.033 4.370 4.350 -0.022 0.000 0.255 26 T C -0.019 174.622 174.700 -0.098 0.000 1.113 26 T CA 1.966 64.039 62.100 -0.046 0.000 1.082 26 T CB 0.491 69.347 68.868 -0.019 0.000 0.939 26 T HN -0.487 7.692 8.240 -0.061 0.025 0.506 27 V N 2.569 122.363 119.914 -0.200 0.000 2.260 27 V HA 0.388 4.230 4.120 -0.463 0.000 0.263 27 V C -1.481 174.305 176.094 -0.513 0.000 1.036 27 V CA -3.359 58.666 62.300 -0.459 0.000 0.874 27 V CB 0.514 32.043 31.823 -0.490 0.000 1.116 27 V HN -0.492 7.530 8.190 -0.170 0.065 0.454 28 P HA 0.058 4.528 4.420 -0.091 -0.104 0.226 28 P C -0.023 177.235 177.300 -0.071 0.000 1.153 28 P CA 1.581 64.606 63.100 -0.125 0.000 0.777 28 P CB 0.142 31.843 31.700 0.001 0.000 0.794 29 Y N -6.280 114.044 120.300 0.039 0.000 2.457 29 Y HA 0.523 5.241 4.550 0.055 -0.135 0.263 29 Y C -0.767 175.168 175.900 0.058 0.000 1.164 29 Y CA -3.420 54.709 58.100 0.049 0.000 1.274 29 Y CB -1.277 37.209 38.460 0.042 0.000 1.097 29 Y HN -0.416 7.287 8.280 -0.873 0.054 0.523 30 Q N 2.860 122.549 119.800 -0.185 0.000 2.304 30 Q HA 0.266 4.793 4.340 0.095 -0.130 0.260 30 Q C -0.373 175.707 176.000 0.134 0.000 0.965 30 Q CA 0.017 55.804 55.803 -0.027 0.000 0.898 30 Q CB 1.235 29.846 28.738 -0.211 0.000 1.196 30 Q HN -0.675 7.268 8.270 -0.444 0.061 0.402 31 V N 1.018 121.051 119.914 0.198 0.000 3.074 31 V HA 0.806 5.159 4.120 0.210 -0.107 0.314 31 V C -2.007 174.250 176.094 0.271 0.000 1.117 31 V CA -2.942 59.478 62.300 0.200 0.000 1.014 31 V CB 4.006 35.895 31.823 0.111 0.000 1.057 31 V HN 0.488 8.791 8.190 0.187 0.000 0.438 32 S N 0.375 116.148 115.700 0.122 0.000 2.473 32 S HA 0.456 5.177 4.470 0.228 -0.114 0.307 32 S C -1.111 173.399 174.600 -0.149 0.000 1.094 32 S CA -2.128 56.085 58.200 0.023 0.000 1.070 32 S CB 1.752 64.754 63.200 -0.331 0.000 1.019 32 S HN 0.176 8.521 8.310 0.057 0.000 0.480 33 L N 7.683 128.701 121.223 -0.341 0.000 2.264 33 L HA 0.553 4.835 4.340 -0.323 -0.136 0.289 33 L C -1.536 174.938 176.870 -0.660 0.000 1.044 33 L CA -0.804 53.700 54.840 -0.559 0.000 0.807 33 L CB 0.740 42.233 42.059 -0.944 0.000 1.192 33 L HN 0.815 8.824 8.230 -0.369 0.000 0.425 38 G N -0.251 108.462 108.800 -0.144 0.000 2.176 38 G HA2 -0.240 3.707 3.960 -0.022 0.000 0.232 38 G HA3 -0.240 3.780 3.960 0.101 0.000 0.232 38 G C -1.490 173.512 174.900 0.169 0.000 0.986 38 G CA 0.295 45.411 45.100 0.027 0.000 0.643 38 G HN 0.198 8.652 8.290 -0.183 -0.274 0.522 39 Y N -7.435 112.834 120.300 -0.051 0.000 2.687 39 Y HA 0.189 4.701 4.550 -0.063 0.000 0.338 39 Y C -2.501 173.400 175.900 0.002 0.000 1.189 39 Y CA -3.543 54.532 58.100 -0.042 0.000 1.097 39 Y CB 0.690 39.123 38.460 -0.046 0.000 1.342 39 Y HN -1.251 6.863 8.280 -0.307 -0.018 0.461 40 H N 2.903 121.932 119.070 -0.069 0.000 2.767 40 H HA 0.009 4.538 4.556 -0.303 -0.155 0.316 40 H C -0.502 174.800 175.328 -0.044 0.000 1.059 40 H CA -0.297 55.640 56.048 -0.186 0.000 1.461 40 H CB 0.272 29.900 29.762 -0.223 0.000 1.475 40 H HN 0.345 8.725 8.280 0.167 0.000 0.531 41 F N 2.472 121.953 119.950 -0.781 0.000 2.819 41 F HA 0.312 4.674 4.527 -0.275 0.000 0.325 41 F C -1.546 173.957 175.800 -0.495 0.000 1.041 41 F CA -0.647 57.062 58.000 -0.485 0.000 1.184 41 F CB 1.595 40.390 39.000 -0.342 0.000 1.019 41 F HN 0.400 8.040 8.300 -1.100 0.000 0.590 42 c N -1.536 116.317 118.600 -1.245 0.000 3.318 42 c HA 0.441 4.882 4.570 -0.293 -0.047 0.322 42 c C -1.594 172.286 174.090 -0.351 0.000 1.398 42 c CA -0.405 55.558 56.329 -0.611 0.000 1.339 42 c CB 4.110 46.299 42.510 -0.536 0.000 1.668 42 c HN -0.762 6.471 8.230 -1.661 0.000 0.462 43 G N -1.010 107.764 108.800 -0.043 0.000 2.601 43 G HA2 0.811 5.061 3.960 0.236 0.000 0.317 43 G HA3 0.811 4.886 3.960 0.193 0.000 0.317 43 G C -2.535 172.387 174.900 0.036 0.000 1.246 43 G CA -1.675 43.502 45.100 0.128 0.000 1.012 43 G HN 0.870 8.923 8.290 -0.041 0.213 0.494 44 G N -4.042 104.815 108.800 0.096 0.000 2.506 44 G HA2 0.510 4.809 3.960 0.075 0.000 0.292 44 G HA3 0.510 4.504 3.960 0.056 0.000 0.292 44 G C -2.983 172.003 174.900 0.142 0.000 1.425 44 G CA 0.374 45.526 45.100 0.085 0.000 0.788 44 G HN -0.617 7.763 8.290 0.151 0.000 0.490 45 S N -0.370 115.418 115.700 0.147 0.000 2.532 45 S HA 0.861 5.704 4.470 0.264 -0.214 0.299 45 S C -1.151 173.551 174.600 0.170 0.000 1.105 45 S CA -0.979 57.339 58.200 0.197 0.000 1.018 45 S CB 3.678 66.977 63.200 0.166 0.000 1.021 45 S HN 0.511 8.895 8.310 0.123 0.000 0.483 46 L N 6.524 127.865 121.223 0.196 0.000 2.369 46 L HA 0.136 4.686 4.340 0.150 -0.121 0.279 46 L C -0.703 176.251 176.870 0.141 0.000 1.108 46 L CA -0.043 54.895 54.840 0.163 0.000 0.852 46 L CB 0.824 42.979 42.059 0.161 0.000 1.169 46 L HN 0.478 8.754 8.230 0.255 0.107 0.452 47 I N 0.313 120.964 120.570 0.134 0.000 4.070 47 I HA 0.506 4.855 4.170 0.067 -0.139 0.328 47 I C -1.052 175.125 176.117 0.099 0.000 1.298 47 I CA -0.723 60.634 61.300 0.095 0.000 1.173 47 I CB 0.715 38.761 38.000 0.077 0.000 1.051 47 I HN 0.076 8.383 8.210 0.163 0.000 0.409 48 N N -2.014 116.770 118.700 0.140 0.000 3.046 48 N HA 0.157 4.957 4.740 0.100 0.000 0.243 48 N C -0.265 175.328 175.510 0.139 0.000 1.452 48 N CA -0.334 52.798 53.050 0.136 0.000 0.882 48 N CB 0.842 39.426 38.487 0.161 0.000 1.425 48 N HN -0.888 7.590 8.380 0.164 0.000 0.517 49 S N -3.006 112.761 115.700 0.112 0.000 2.469 49 S HA -0.361 4.153 4.470 0.073 0.000 0.238 49 S C 0.858 175.494 174.600 0.060 0.000 0.998 49 S CA 2.897 61.145 58.200 0.079 0.000 0.957 49 S CB -0.102 63.133 63.200 0.058 0.000 0.764 49 S HN 0.432 8.805 8.310 0.104 0.000 0.514 50 Q N -0.642 119.211 119.800 0.088 0.000 2.149 50 Q HA 0.328 4.613 4.340 -0.092 0.000 0.221 50 Q C -2.028 173.830 176.000 -0.236 0.000 0.807 50 Q CA -0.519 55.240 55.803 -0.074 0.000 1.000 50 Q CB 2.366 31.038 28.738 -0.109 0.000 1.157 50 Q HN 0.239 8.922 8.270 0.182 -0.304 0.487 51 W N -2.450 118.859 121.300 0.014 0.000 3.022 51 W HA 0.689 5.560 4.660 0.012 -0.204 0.335 51 W C -1.501 175.035 176.519 0.027 0.000 1.133 51 W CA -1.087 56.266 57.345 0.013 0.000 1.219 51 W CB 3.885 33.343 29.460 -0.003 0.000 1.409 51 W HN -0.312 8.117 8.180 0.245 -0.101 0.507 52 V N 0.939 121.012 119.914 0.266 0.000 2.823 52 V HA 0.739 5.137 4.120 0.173 -0.174 0.312 52 V C -1.516 174.692 176.094 0.191 0.000 1.072 52 V CA -1.721 60.687 62.300 0.181 0.000 0.937 52 V CB 3.899 35.785 31.823 0.106 0.000 1.013 52 V HN 0.719 9.081 8.190 0.286 0.000 0.430 53 V N 5.371 125.375 119.914 0.151 0.000 2.628 53 V HA 0.747 5.123 4.120 0.161 -0.159 0.306 53 V C -1.258 174.895 176.094 0.099 0.000 1.045 53 V CA -1.326 61.056 62.300 0.137 0.000 0.905 53 V CB 2.465 34.361 31.823 0.122 0.000 0.997 53 V HN 0.678 8.951 8.190 0.139 0.000 0.436 54 S N 3.635 119.381 115.700 0.076 0.000 2.929 54 S HA 0.555 5.257 4.470 0.038 -0.209 0.311 54 S C -2.073 172.526 174.600 -0.002 0.000 1.213 54 S CA -2.307 55.911 58.200 0.030 0.000 0.908 54 S CB 2.411 65.611 63.200 -0.000 0.000 1.287 54 S HN 0.668 9.033 8.310 0.091 0.000 0.594 55 A N -0.483 122.304 122.820 -0.055 0.000 2.312 55 A HA 0.508 4.940 4.320 -0.074 -0.157 0.326 55 A C 0.446 177.932 177.584 -0.162 0.000 1.172 55 A CA -1.782 50.196 52.037 -0.098 0.000 0.821 55 A CB 1.716 20.649 19.000 -0.111 0.000 1.166 55 A HN 0.282 8.386 8.150 -0.075 0.000 0.493 56 A N 5.219 127.884 122.820 -0.258 0.000 1.940 56 A HA -0.272 3.900 4.320 -0.245 0.000 0.219 56 A C 1.325 178.689 177.584 -0.367 0.000 1.176 56 A CA 2.977 54.732 52.037 -0.470 0.000 0.631 56 A CB -0.406 17.832 19.000 -1.271 0.000 0.814 56 A HN 0.641 8.660 8.150 -0.245 -0.016 0.446 57 H N -4.708 114.204 119.070 -0.264 0.000 2.563 57 H HA -0.074 4.527 4.556 0.075 0.000 0.272 57 H C 0.190 175.576 175.328 0.096 0.000 1.005 57 H CA 1.306 57.366 56.048 0.020 0.000 1.171 57 H CB -1.404 28.440 29.762 0.136 0.000 1.351 57 H HN -0.107 8.401 8.280 -0.101 -0.288 0.602 58 c N -1.916 116.585 118.600 -0.165 0.000 2.697 58 c HA 0.022 4.624 4.570 0.054 0.000 0.267 58 c C 0.363 174.542 174.090 0.149 0.000 1.278 58 c CA 0.086 56.413 56.329 -0.005 0.000 1.708 58 c CB -1.551 40.904 42.510 -0.092 0.000 1.860 58 c HN -0.206 7.709 8.230 -0.203 0.193 0.589 59 Y N 3.589 123.892 120.300 0.005 0.000 2.683 59 Y HA -0.248 4.327 4.550 0.040 0.000 0.340 59 Y C -0.772 175.120 175.900 -0.012 0.000 1.245 59 Y CA 2.139 60.248 58.100 0.015 0.000 1.485 59 Y CB 0.688 39.142 38.460 -0.011 0.000 1.328 59 Y HN -0.451 7.749 8.280 0.166 0.180 0.603 60 K N 5.139 124.749 120.400 -1.317 0.000 2.772 60 K HA 0.174 3.996 4.320 -0.829 0.000 0.292 60 K C -2.524 173.551 176.600 -0.875 0.000 1.049 60 K CA -1.067 54.658 56.287 -0.936 0.000 0.846 60 K CB 2.106 34.261 32.500 -0.576 0.000 1.514 60 K HN -0.035 7.307 8.250 -1.514 0.000 0.373 61 S N -0.507 114.907 115.700 -0.477 0.000 2.713 61 S HA 0.139 4.450 4.470 -0.265 0.000 0.283 61 S C 0.693 175.166 174.600 -0.213 0.000 1.161 61 S CA -0.423 57.617 58.200 -0.267 0.000 0.999 61 S CB 1.321 64.448 63.200 -0.121 0.000 1.039 61 S HN -0.154 7.936 8.310 -0.366 0.000 0.548 62 G N -0.014 108.702 108.800 -0.140 0.000 2.289 62 G HA2 -0.250 3.657 3.960 -0.088 0.000 0.280 62 G HA3 -0.250 3.635 3.960 -0.124 0.000 0.280 62 G C -1.677 173.150 174.900 -0.121 0.000 1.089 62 G CA 0.188 45.217 45.100 -0.118 0.000 0.939 62 G HN 0.309 8.533 8.290 -0.110 0.000 0.499 63 I N -1.247 119.265 120.570 -0.098 0.000 2.392 63 I HA 0.129 4.400 4.170 -0.026 -0.116 0.295 63 I C -1.708 174.371 176.117 -0.064 0.000 0.985 63 I CA -0.997 60.272 61.300 -0.052 0.000 1.221 63 I CB 1.215 39.205 38.000 -0.016 0.000 1.366 63 I HN -0.502 7.650 8.210 -0.097 0.000 0.467 64 Q N 6.624 126.375 119.800 -0.082 0.000 3.184 64 Q HA 0.490 4.786 4.340 -0.075 0.000 0.236 64 Q C -1.637 174.289 176.000 -0.123 0.000 1.038 64 Q CA -1.916 53.824 55.803 -0.105 0.000 0.857 64 Q CB 4.240 32.881 28.738 -0.162 0.000 1.957 64 Q HN 0.559 8.784 8.270 -0.075 0.000 0.453 65 R N -2.595 117.877 120.500 -0.047 0.000 2.937 65 R HA 0.433 5.081 4.340 0.218 -0.177 0.273 65 R C -1.475 174.885 176.300 0.100 0.000 1.176 65 R CA 0.043 56.175 56.100 0.052 0.000 1.132 65 R CB 2.416 32.634 30.300 -0.137 0.000 1.270 65 R HN 0.631 8.849 8.270 -0.086 0.000 0.425 70 E N -0.864 119.438 120.200 0.171 0.000 2.318 70 E HA 0.113 4.546 4.350 0.138 0.000 0.265 70 E C -1.640 175.157 176.600 0.328 0.000 1.069 70 E CA 0.471 56.990 56.400 0.198 0.000 0.893 70 E CB 1.666 31.421 29.700 0.092 0.000 1.076 70 E HN -0.585 7.854 8.360 0.195 0.038 0.414 71 D N 0.258 120.829 120.400 0.286 0.000 2.887 71 D HA 0.052 4.943 4.640 0.417 0.000 0.162 71 D C -1.223 175.279 176.300 0.337 0.000 1.495 71 D CA 1.399 55.588 54.000 0.315 0.000 1.531 71 D CB 2.439 43.327 40.800 0.147 0.000 1.459 71 D HN 0.148 8.626 8.370 0.180 0.000 0.256 72 N N 1.064 119.862 118.700 0.164 0.000 2.437 72 N HA 0.289 5.267 4.740 0.150 -0.147 0.243 72 N C 1.999 177.504 175.510 -0.009 0.000 1.041 72 N CA -1.252 51.858 53.050 0.100 0.000 0.940 72 N CB 0.414 38.943 38.487 0.070 0.000 1.133 72 N HN -0.653 7.929 8.380 0.125 -0.127 0.506 73 I N 1.155 121.631 120.570 -0.157 0.000 3.083 73 I HA -0.210 3.919 4.170 -0.283 -0.129 0.273 73 I C -0.415 175.616 176.117 -0.143 0.000 1.297 73 I CA 1.726 62.846 61.300 -0.301 0.000 1.452 73 I CB -0.875 36.721 38.000 -0.674 0.000 1.078 73 I HN 0.184 8.305 8.210 -0.148 0.000 0.484 74 N N -2.216 116.445 118.700 -0.066 0.000 2.254 74 N HA 0.131 4.851 4.740 -0.034 0.000 0.190 74 N C -0.618 174.896 175.510 0.006 0.000 1.107 74 N CA 0.832 53.868 53.050 -0.024 0.000 0.869 74 N CB 1.781 40.264 38.487 -0.007 0.000 0.983 74 N HN -0.208 8.381 8.380 -0.047 -0.237 0.487 75 V N 0.336 120.260 119.914 0.016 0.000 2.638 75 V HA 0.045 4.184 4.120 0.030 0.000 0.306 75 V C -1.453 174.666 176.094 0.043 0.000 1.052 75 V CA -1.073 61.245 62.300 0.030 0.000 0.885 75 V CB 2.964 34.803 31.823 0.027 0.000 0.999 75 V HN -0.772 7.479 8.190 0.007 -0.057 0.424 76 V N 7.071 127.011 119.914 0.043 0.000 2.461 76 V HA -0.161 4.175 4.120 0.048 -0.187 0.275 76 V C 0.020 176.119 176.094 0.008 0.000 1.047 76 V CA 0.538 62.855 62.300 0.029 0.000 0.955 76 V CB 0.396 32.221 31.823 0.004 0.000 0.988 76 V HN 0.231 8.444 8.190 0.038 0.000 0.471 77 E N 7.056 127.258 120.200 0.003 0.000 2.572 77 E HA 0.167 4.519 4.350 0.003 0.000 0.220 77 E C -0.463 176.131 176.600 -0.009 0.000 0.945 77 E CA -0.557 55.845 56.400 0.003 0.000 1.070 77 E CB 1.103 30.814 29.700 0.018 0.000 1.090 77 E HN 0.529 9.414 8.360 0.003 -0.523 0.506 78 G N 0.376 109.159 108.800 -0.027 0.000 2.576 78 G HA2 -0.231 3.693 3.960 -0.060 0.000 0.686 78 G HA3 -0.231 3.713 3.960 -0.027 0.000 0.686 78 G C -1.587 173.295 174.900 -0.031 0.000 1.242 78 G CA -0.668 44.409 45.100 -0.038 0.000 0.819 78 G HN -0.441 8.234 8.290 -0.036 -0.407 0.655 79 N N -3.714 114.961 118.700 -0.041 0.000 2.962 79 N HA -0.281 4.442 4.740 -0.028 0.000 0.206 79 N C -0.852 174.635 175.510 -0.038 0.000 0.907 79 N CA 1.414 54.448 53.050 -0.027 0.000 1.029 79 N CB -0.257 38.230 38.487 -0.000 0.000 1.009 79 N HN 0.176 8.524 8.380 -0.054 0.000 0.587 80 E N -1.204 118.951 120.200 -0.075 0.000 2.383 80 E HA 0.098 4.666 4.350 0.001 -0.217 0.264 80 E C -0.081 176.403 176.600 -0.194 0.000 1.050 80 E CA 0.749 57.088 56.400 -0.101 0.000 0.896 80 E CB 0.453 30.045 29.700 -0.180 0.000 0.982 80 E HN -0.227 7.977 8.360 -0.086 0.105 0.424 81 Q N 1.282 121.027 119.800 -0.091 0.000 2.274 81 Q HA 0.276 4.518 4.340 -0.163 0.000 0.268 81 Q C -1.516 174.578 176.000 0.157 0.000 1.015 81 Q CA -1.166 54.601 55.803 -0.060 0.000 0.775 81 Q CB 2.891 31.631 28.738 0.003 0.000 1.256 81 Q HN 0.237 8.531 8.270 0.039 0.000 0.442 82 F N 3.551 123.484 119.950 -0.028 0.000 2.402 82 F HA 0.472 5.148 4.527 -0.042 -0.175 0.355 82 F C -0.114 175.664 175.800 -0.036 0.000 1.123 82 F CA -2.886 55.092 58.000 -0.037 0.000 1.021 82 F CB 1.028 40.004 39.000 -0.040 0.000 1.160 82 F HN 0.377 8.658 8.300 -0.032 0.000 0.451 83 I N 3.869 124.519 120.570 0.135 0.000 2.619 83 I HA 0.239 4.439 4.170 0.049 0.000 0.292 83 I C -1.261 174.859 176.117 0.006 0.000 1.100 83 I CA -1.349 59.980 61.300 0.049 0.000 1.043 83 I CB 4.246 42.258 38.000 0.020 0.000 1.239 83 I HN 0.718 8.999 8.210 0.118 0.000 0.420 84 S N 5.508 121.203 115.700 -0.010 0.000 2.585 84 S HA 0.063 4.622 4.470 -0.039 -0.113 0.273 84 S C -0.506 174.062 174.600 -0.053 0.000 1.339 84 S CA 0.800 58.979 58.200 -0.034 0.000 1.028 84 S CB 0.929 64.110 63.200 -0.031 0.000 0.906 84 S HN 0.441 8.750 8.310 -0.002 0.000 0.528 85 A N 2.703 125.487 122.820 -0.059 0.000 2.331 85 A HA 0.242 4.614 4.320 -0.094 -0.108 0.283 85 A C -0.413 177.125 177.584 -0.076 0.000 1.142 85 A CA -0.582 51.410 52.037 -0.074 0.000 0.812 85 A CB 0.794 19.761 19.000 -0.056 0.000 1.074 85 A HN -0.236 7.881 8.150 -0.055 0.000 0.497 86 S N 4.419 120.055 115.700 -0.107 0.000 2.371 86 S HA -0.019 4.410 4.470 -0.068 0.000 0.221 86 S C 0.676 175.237 174.600 -0.065 0.000 1.036 86 S CA 1.614 59.758 58.200 -0.093 0.000 0.965 86 S CB 1.093 64.212 63.200 -0.135 0.000 0.845 86 S HN 0.770 8.880 8.310 -0.150 0.110 0.475 87 K N -0.038 120.315 120.400 -0.077 0.000 2.555 87 K HA 0.189 4.528 4.320 0.031 0.000 0.279 87 K C -2.218 174.403 176.600 0.034 0.000 0.986 87 K CA -1.047 55.238 56.287 -0.003 0.000 0.880 87 K CB 2.989 35.495 32.500 0.010 0.000 1.474 87 K HN -0.762 7.405 8.250 -0.137 0.000 0.433 88 S N 0.508 116.285 115.700 0.128 0.000 2.521 88 S HA 0.714 5.445 4.470 0.160 -0.164 0.295 88 S C -1.017 173.700 174.600 0.196 0.000 1.098 88 S CA -0.505 57.813 58.200 0.195 0.000 0.999 88 S CB 2.934 66.329 63.200 0.324 0.000 1.034 88 S HN 0.110 8.508 8.310 0.148 0.000 0.483 89 I N 6.863 127.560 120.570 0.212 0.000 2.420 89 I HA 0.123 4.379 4.170 0.143 0.000 0.282 89 I C -1.673 174.581 176.117 0.228 0.000 1.019 89 I CA -0.752 60.670 61.300 0.202 0.000 1.130 89 I CB 1.977 40.112 38.000 0.226 0.000 1.262 89 I HN 1.099 9.344 8.210 0.238 0.108 0.454 90 V N 7.930 127.911 119.914 0.112 0.000 2.583 90 V HA -0.142 4.016 4.120 0.064 0.000 0.287 90 V C -0.388 175.784 176.094 0.131 0.000 1.051 90 V CA -0.649 61.683 62.300 0.053 0.000 1.010 90 V CB 0.892 32.647 31.823 -0.114 0.000 0.988 90 V HN 0.350 8.562 8.190 0.036 0.000 0.478 91 H N 8.842 127.890 119.070 -0.038 0.000 3.094 91 H HA -0.068 4.356 4.556 -0.220 0.000 0.320 91 H C 0.150 175.461 175.328 -0.028 0.000 1.000 91 H CA 0.665 56.588 56.048 -0.209 0.000 1.413 91 H CB 1.084 30.561 29.762 -0.475 0.000 1.405 91 H HN -0.058 8.256 8.280 0.056 0.000 0.586 92 P HA -0.048 4.393 4.420 0.034 0.000 0.222 92 P C -0.497 176.872 177.300 0.114 0.000 1.147 92 P CA 1.590 64.682 63.100 -0.014 0.000 0.790 92 P CB 0.294 31.955 31.700 -0.064 0.000 0.780 93 S N -3.278 112.618 115.700 0.326 0.000 2.572 93 S HA 0.043 4.583 4.470 0.116 0.000 0.228 93 S C -0.977 173.724 174.600 0.168 0.000 0.963 93 S CA 0.089 58.424 58.200 0.225 0.000 0.939 93 S CB 0.852 64.175 63.200 0.205 0.000 0.804 93 S HN -0.337 8.352 8.310 0.698 0.040 0.480 94 Y N 3.701 124.052 120.300 0.085 0.000 2.511 94 Y HA -0.261 4.456 4.550 -0.059 -0.202 0.332 94 Y C -0.809 175.083 175.900 -0.014 0.000 1.177 94 Y CA 0.719 58.815 58.100 -0.006 0.000 1.422 94 Y CB 0.891 39.355 38.460 0.007 0.000 1.271 94 Y HN -0.759 7.573 8.280 0.377 0.174 0.550 95 N N 7.618 125.930 118.700 -0.646 0.000 2.518 95 N HA 0.215 4.665 4.740 -0.483 0.000 0.254 95 N C 0.104 175.077 175.510 -0.894 0.000 0.979 95 N CA -1.231 51.460 53.050 -0.598 0.000 0.930 95 N CB 1.303 39.611 38.487 -0.298 0.000 1.152 95 N HN -0.423 7.681 8.380 -0.461 0.000 0.505 96 S N 6.405 121.578 115.700 -0.880 0.000 2.507 96 S HA -0.111 3.990 4.470 -0.615 0.000 0.235 96 S C 0.670 175.082 174.600 -0.313 0.000 0.988 96 S CA 2.213 60.083 58.200 -0.550 0.000 0.944 96 S CB -0.257 62.809 63.200 -0.223 0.000 0.762 96 S HN 0.637 8.528 8.310 -0.698 0.000 0.526 97 N N 1.653 120.175 118.700 -0.297 0.000 2.368 97 N HA 0.029 4.644 4.740 -0.210 0.000 0.176 97 N C 0.909 176.257 175.510 -0.270 0.000 1.021 97 N CA 2.077 54.988 53.050 -0.232 0.000 0.888 97 N CB 0.755 39.135 38.487 -0.179 0.000 0.995 97 N HN 0.407 8.811 8.380 -0.327 -0.220 0.437 98 T N -4.304 110.086 114.554 -0.273 0.000 3.001 98 T HA 0.122 4.280 4.350 -0.321 0.000 0.251 98 T C 0.133 174.654 174.700 -0.298 0.000 1.040 98 T CA 0.186 62.122 62.100 -0.273 0.000 0.985 98 T CB 1.857 70.621 68.868 -0.173 0.000 1.011 98 T HN -0.211 8.154 8.240 -0.278 -0.293 0.509 99 L N -3.565 117.508 121.223 -0.251 0.000 4.291 99 L HA -0.515 3.922 4.340 0.057 -0.063 0.413 99 L C -1.888 175.022 176.870 0.067 0.000 1.162 99 L CA 0.558 55.356 54.840 -0.069 0.000 0.961 99 L CB -2.541 39.403 42.059 -0.191 0.000 2.095 99 L HN -0.036 8.015 8.230 -0.298 0.000 0.838 100 N N -0.941 117.753 118.700 -0.009 0.000 2.513 100 N HA -0.194 4.597 4.740 0.086 0.000 0.268 100 N C 0.058 175.612 175.510 0.074 0.000 1.180 100 N CA 0.824 53.898 53.050 0.040 0.000 0.948 100 N CB 1.057 39.539 38.487 -0.009 0.000 1.083 100 N HN -0.680 7.583 8.380 -0.103 0.055 0.455 101 N N -0.760 117.975 118.700 0.058 0.000 2.756 101 N HA -0.469 4.191 4.740 -0.133 0.000 0.248 101 N C -1.387 174.095 175.510 -0.048 0.000 1.062 101 N CA 1.357 54.342 53.050 -0.109 0.000 0.696 101 N CB -1.589 36.697 38.487 -0.335 0.000 0.946 101 N HN 0.609 9.050 8.380 0.102 0.000 0.548 102 D N -0.905 119.509 120.400 0.024 0.000 2.608 102 D HA 0.057 4.688 4.640 -0.014 0.000 0.224 102 D C -1.705 174.506 176.300 -0.148 0.000 1.123 102 D CA -0.431 53.582 54.000 0.021 0.000 1.030 102 D CB -0.798 40.109 40.800 0.179 0.000 1.093 102 D HN -0.130 8.268 8.370 0.047 0.000 0.497 103 I N 1.716 122.131 120.570 -0.258 0.000 2.827 103 I HA 0.573 4.844 4.170 -0.128 -0.178 0.298 103 I C -3.067 173.000 176.117 -0.084 0.000 1.235 103 I CA -1.518 59.658 61.300 -0.207 0.000 1.021 103 I CB 4.100 41.847 38.000 -0.421 0.000 1.259 103 I HN -0.165 7.832 8.210 -0.280 0.046 0.427 104 M N 6.624 126.248 119.600 0.039 0.000 2.421 104 M HA 0.739 5.527 4.480 0.228 -0.171 0.287 104 M C -2.770 173.658 176.300 0.214 0.000 1.183 104 M CA -1.014 54.375 55.300 0.148 0.000 0.916 104 M CB 4.815 37.456 32.600 0.069 0.000 1.701 104 M HN 0.491 8.799 8.290 0.031 0.000 0.470 105 L N 3.083 124.473 121.223 0.280 0.000 2.334 105 L HA 0.891 5.578 4.340 0.273 -0.183 0.276 105 L C -1.257 175.799 176.870 0.311 0.000 1.014 105 L CA -1.522 53.503 54.840 0.307 0.000 0.815 105 L CB 3.140 45.379 42.059 0.298 0.000 1.268 105 L HN 0.576 8.995 8.230 0.314 0.000 0.428 106 I N 0.689 121.422 120.570 0.273 0.000 2.466 106 I HA 0.546 4.940 4.170 0.076 -0.179 0.289 106 I C -1.629 174.418 176.117 -0.117 0.000 1.026 106 I CA -1.327 60.024 61.300 0.085 0.000 1.078 106 I CB 3.300 41.329 38.000 0.048 0.000 1.249 106 I HN 0.686 9.085 8.210 0.316 0.000 0.429 107 K N 6.799 126.940 120.400 -0.432 0.000 2.156 107 K HA 0.620 4.283 4.320 -1.375 -0.168 0.271 107 K C -1.023 175.301 176.600 -0.461 0.000 0.995 107 K CA -1.688 54.015 56.287 -0.974 0.000 0.890 107 K CB 2.751 34.531 32.500 -1.200 0.000 1.073 107 K HN 0.354 8.442 8.250 -0.270 0.000 0.454 108 L N 4.101 125.078 121.223 -0.410 0.000 2.421 108 L HA 0.255 4.604 4.340 -0.162 -0.107 0.263 108 L C 1.706 178.461 176.870 -0.190 0.000 1.122 108 L CA -0.198 54.514 54.840 -0.214 0.000 0.804 108 L CB 0.620 42.593 42.059 -0.143 0.000 1.150 108 L HN 0.643 8.549 8.230 -0.540 0.000 0.457 109 K N 1.881 122.209 120.400 -0.119 0.000 2.103 109 K HA -0.284 3.973 4.320 -0.105 0.000 0.204 109 K C -0.610 175.943 176.600 -0.077 0.000 1.052 109 K CA 2.405 58.638 56.287 -0.091 0.000 0.945 109 K CB 0.543 33.009 32.500 -0.057 0.000 0.722 109 K HN 0.500 8.693 8.250 -0.095 0.000 0.443 110 S N -3.261 112.401 115.700 -0.064 0.000 2.599 110 S HA 0.144 4.585 4.470 -0.048 0.000 0.287 110 S C -1.360 173.213 174.600 -0.045 0.000 1.105 110 S CA -1.544 56.628 58.200 -0.046 0.000 0.899 110 S CB 2.799 65.982 63.200 -0.027 0.000 1.100 110 S HN -0.562 7.712 8.310 -0.061 0.000 0.482 111 A N 0.656 123.458 122.820 -0.031 0.000 2.351 111 A HA 0.079 4.506 4.320 -0.029 -0.124 0.257 111 A C -0.320 177.262 177.584 -0.004 0.000 1.087 111 A CA -0.505 51.522 52.037 -0.017 0.000 0.798 111 A CB 0.661 19.662 19.000 0.001 0.000 1.033 111 A HN 0.195 8.330 8.150 -0.025 0.000 0.488 112 A N 0.365 123.190 122.820 0.008 0.000 2.287 112 A HA 0.184 4.595 4.320 0.012 -0.084 0.273 112 A C -0.539 177.057 177.584 0.019 0.000 1.091 112 A CA -1.074 50.973 52.037 0.017 0.000 0.817 112 A CB 1.309 20.328 19.000 0.033 0.000 1.069 112 A HN 0.303 8.350 8.150 0.011 0.110 0.492 113 S N 0.465 116.174 115.700 0.016 0.000 2.422 113 S HA 0.138 4.617 4.470 0.015 0.000 0.308 113 S C -0.771 173.842 174.600 0.022 0.000 1.097 113 S CA -0.609 57.599 58.200 0.014 0.000 1.099 113 S CB 0.600 63.803 63.200 0.005 0.000 0.976 113 S HN -0.026 8.620 8.310 0.013 -0.328 0.471 114 L N 6.455 127.695 121.223 0.028 0.000 2.334 114 L HA 0.217 4.708 4.340 0.039 -0.128 0.277 114 L C -0.483 176.404 176.870 0.029 0.000 1.075 114 L CA -0.325 54.536 54.840 0.035 0.000 0.804 114 L CB 0.616 42.701 42.059 0.043 0.000 1.174 114 L HN 0.265 8.511 8.230 0.027 0.000 0.438 115 N N 3.943 122.661 118.700 0.031 0.000 3.587 115 N HA 0.230 4.984 4.740 0.023 0.000 0.339 115 N C -1.263 174.265 175.510 0.030 0.000 1.636 115 N CA -0.619 52.446 53.050 0.025 0.000 0.788 115 N CB 1.371 39.868 38.487 0.018 0.000 2.205 115 N HN 0.679 8.971 8.380 0.036 0.109 0.600 116 S N -3.026 112.689 115.700 0.025 0.000 2.489 116 S HA -0.127 4.363 4.470 0.033 0.000 0.228 116 S C 0.542 175.157 174.600 0.025 0.000 0.995 116 S CA 2.263 60.479 58.200 0.027 0.000 0.934 116 S CB 0.143 63.355 63.200 0.021 0.000 0.771 116 S HN 0.037 8.359 8.310 0.020 0.000 0.522 117 R N -0.987 119.526 120.500 0.021 0.000 2.237 117 R HA 0.182 4.528 4.340 0.011 0.000 0.195 117 R C -1.264 175.050 176.300 0.023 0.000 0.956 117 R CA -0.037 56.073 56.100 0.017 0.000 1.029 117 R CB 1.217 31.526 30.300 0.014 0.000 0.972 117 R HN -0.116 8.392 8.270 0.021 -0.225 0.493 118 V N -1.996 117.938 119.914 0.033 0.000 2.569 118 V HA 0.315 4.672 4.120 0.047 -0.208 0.301 118 V C -2.223 173.908 176.094 0.061 0.000 1.044 118 V CA -1.054 61.275 62.300 0.047 0.000 0.874 118 V CB 3.260 35.109 31.823 0.043 0.000 1.002 118 V HN -0.386 8.016 8.190 0.032 -0.192 0.424 119 A N 6.038 128.911 122.820 0.088 0.000 2.606 119 A HA 0.555 4.925 4.320 0.084 0.000 0.293 119 A C -3.122 174.551 177.584 0.149 0.000 1.082 119 A CA -0.963 51.137 52.037 0.104 0.000 0.685 119 A CB 2.792 21.853 19.000 0.102 0.000 1.284 119 A HN 0.094 8.196 8.150 0.098 0.107 0.408 120 S N -1.462 114.311 115.700 0.121 0.000 2.681 120 S HA 0.568 5.278 4.470 0.162 -0.143 0.270 120 S C -0.657 173.997 174.600 0.090 0.000 1.209 120 S CA -0.584 57.689 58.200 0.122 0.000 0.988 120 S CB 1.563 64.816 63.200 0.088 0.000 1.006 120 S HN -0.004 8.362 8.310 0.094 0.000 0.558 121 I N -0.095 120.481 120.570 0.010 0.000 2.797 121 I HA 0.269 4.375 4.170 -0.108 0.000 0.307 121 I C -1.333 174.737 176.117 -0.078 0.000 1.033 121 I CA -1.590 59.627 61.300 -0.140 0.000 1.071 121 I CB 4.257 41.963 38.000 -0.490 0.000 1.255 121 I HN -0.134 8.093 8.210 0.029 0.000 0.445 122 S N 4.474 120.125 115.700 -0.082 0.000 2.616 122 S HA 0.295 4.749 4.470 -0.025 0.000 0.277 122 S C -0.733 173.840 174.600 -0.045 0.000 1.234 122 S CA -0.658 57.515 58.200 -0.045 0.000 1.028 122 S CB 1.005 64.184 63.200 -0.034 0.000 0.988 122 S HN 0.247 8.492 8.310 -0.107 0.000 0.522 123 L N 2.189 123.400 121.223 -0.020 0.000 2.439 123 L HA 0.205 4.545 4.340 0.000 0.000 0.261 123 L C -1.191 175.676 176.870 -0.005 0.000 1.153 123 L CA -1.940 52.899 54.840 -0.002 0.000 0.808 123 L CB 0.080 42.146 42.059 0.013 0.000 1.126 123 L HN 0.264 8.485 8.230 -0.015 0.000 0.460 124 P HA 0.122 4.531 4.420 -0.018 0.000 0.276 124 P C -1.241 176.058 177.300 -0.002 0.000 1.252 124 P CA -0.662 62.434 63.100 -0.006 0.000 0.802 124 P CB 0.831 32.527 31.700 -0.007 0.000 1.035 128 c N 0.581 119.155 118.600 -0.044 0.000 2.580 128 c HA 0.058 4.587 4.570 -0.067 0.000 0.371 128 c C -0.036 173.994 174.090 -0.100 0.000 1.308 128 c CA -0.580 55.707 56.329 -0.070 0.000 2.428 128 c CB 0.346 42.820 42.510 -0.060 0.000 2.529 128 c HN -0.016 8.191 8.230 -0.038 0.000 0.657 129 A N 0.235 122.959 122.820 -0.160 0.000 2.281 129 A HA 0.149 4.396 4.320 -0.122 0.000 0.329 129 A C -1.222 176.260 177.584 -0.171 0.000 1.122 129 A CA -0.576 51.359 52.037 -0.170 0.000 0.850 129 A CB 1.690 20.555 19.000 -0.225 0.000 1.207 129 A HN 0.257 8.283 8.150 -0.207 0.000 0.495 133 G N 0.576 109.336 108.800 -0.067 0.000 2.225 133 G HA2 -0.353 3.573 3.960 -0.058 0.000 0.254 133 G HA3 -0.353 3.579 3.960 -0.046 0.000 0.254 133 G C -0.097 174.763 174.900 -0.066 0.000 0.988 133 G CA 0.269 45.334 45.100 -0.058 0.000 0.625 133 G HN 0.738 8.875 8.290 -0.071 0.111 0.527 134 T N 3.127 117.630 114.554 -0.086 0.000 2.928 134 T HA -0.186 4.126 4.350 -0.065 0.000 0.305 134 T C -1.032 173.621 174.700 -0.080 0.000 1.035 134 T CA 2.457 64.506 62.100 -0.085 0.000 1.145 134 T CB 0.776 69.575 68.868 -0.115 0.000 0.963 134 T HN -0.435 7.664 8.240 -0.101 0.080 0.545 135 Q N 5.783 125.551 119.800 -0.053 0.000 2.267 135 Q HA 0.173 4.599 4.340 -0.043 -0.111 0.255 135 Q C -0.889 175.092 176.000 -0.031 0.000 0.923 135 Q CA 0.462 56.245 55.803 -0.033 0.000 0.925 135 Q CB 1.382 30.117 28.738 -0.004 0.000 1.195 135 Q HN 0.211 8.455 8.270 -0.044 0.000 0.417 136 c N 3.309 121.892 118.600 -0.028 0.000 2.971 136 c HA 0.643 5.314 4.570 -0.016 -0.112 0.310 136 c C -1.905 172.192 174.090 0.013 0.000 1.285 136 c CA -1.655 54.660 56.329 -0.023 0.000 1.593 136 c CB 4.210 46.683 42.510 -0.062 0.000 2.076 136 c HN 1.001 9.098 8.230 -0.029 0.115 0.472 137 L N 1.068 122.307 121.223 0.027 0.000 2.305 137 L HA 0.934 5.511 4.340 0.064 -0.198 0.284 137 L C -2.094 174.799 176.870 0.038 0.000 1.013 137 L CA -1.403 53.470 54.840 0.054 0.000 0.819 137 L CB 3.019 45.131 42.059 0.088 0.000 1.227 137 L HN 0.749 8.880 8.230 0.019 0.110 0.417 138 I N 7.469 128.050 120.570 0.017 0.000 2.474 138 I HA 0.914 5.356 4.170 0.037 -0.250 0.294 138 I C -1.314 174.781 176.117 -0.036 0.000 1.005 138 I CA -1.601 59.708 61.300 0.015 0.000 1.113 138 I CB 2.591 40.609 38.000 0.030 0.000 1.289 138 I HN 0.951 9.172 8.210 0.020 0.000 0.436 139 S N 2.596 118.268 115.700 -0.048 0.000 2.618 139 S HA 1.026 5.526 4.470 -0.212 -0.158 0.277 139 S C -1.142 173.353 174.600 -0.175 0.000 1.138 139 S CA -1.796 56.300 58.200 -0.174 0.000 0.844 139 S CB 3.759 66.814 63.200 -0.241 0.000 1.127 139 S HN -0.203 8.111 8.310 0.007 0.000 0.474 140 G N -1.294 107.313 108.800 -0.321 0.000 2.321 140 G HA2 0.133 3.874 3.960 -0.366 0.000 0.298 140 G HA3 0.133 4.220 3.960 -0.033 -0.147 0.298 140 G C -2.330 172.383 174.900 -0.312 0.000 1.385 140 G CA 0.544 45.485 45.100 -0.265 0.000 0.856 140 G HN 0.256 8.296 8.290 -0.417 0.000 0.584 141 W N 1.005 122.268 121.300 -0.062 0.000 3.015 141 W HA 0.371 4.987 4.660 -0.073 0.000 0.429 141 W C -0.228 176.356 176.519 0.109 0.000 0.976 141 W CA -1.005 56.273 57.345 -0.113 0.000 2.086 141 W CB 0.154 29.322 29.460 -0.488 0.000 1.125 141 W HN 0.581 8.947 8.180 0.310 0.000 0.721 142 G N 0.654 109.654 108.800 0.334 0.000 2.621 142 G HA2 -0.018 4.321 3.960 0.612 0.000 0.271 142 G HA3 -0.018 4.284 3.960 0.304 -0.160 0.271 142 G C -1.123 173.899 174.900 0.204 0.000 1.236 142 G CA -0.841 44.492 45.100 0.388 0.000 0.958 142 G HN -0.443 8.137 8.290 0.217 -0.160 0.512 143 N N -0.526 118.175 118.700 0.002 0.000 2.345 143 N HA -0.315 4.094 4.740 -0.829 -0.167 0.243 143 N C 0.878 176.289 175.510 -0.165 0.000 1.246 143 N CA 0.989 53.778 53.050 -0.435 0.000 0.863 143 N CB 0.779 38.981 38.487 -0.475 0.000 1.096 143 N HN 0.282 8.785 8.380 0.205 0.000 0.446 144 T N -0.360 114.090 114.554 -0.173 0.000 3.044 144 T HA 0.210 4.648 4.350 -0.050 -0.118 0.260 144 T C 0.019 174.680 174.700 -0.066 0.000 1.019 144 T CA 0.266 62.319 62.100 -0.079 0.000 0.921 144 T CB 1.443 70.281 68.868 -0.050 0.000 1.053 144 T HN 0.358 8.443 8.240 -0.258 0.000 0.533 145 K N 2.421 122.766 120.400 -0.092 0.000 2.270 145 K HA 0.276 4.575 4.320 -0.036 0.000 0.255 145 K C -0.586 175.990 176.600 -0.040 0.000 0.936 145 K CA -1.103 55.150 56.287 -0.057 0.000 0.809 145 K CB 2.666 35.129 32.500 -0.061 0.000 1.131 145 K HN -0.733 7.633 8.250 -0.148 -0.206 0.427 146 S N 0.700 116.391 115.700 -0.015 0.000 2.470 146 S HA -0.123 4.351 4.470 0.007 0.000 0.225 146 S C -0.126 174.478 174.600 0.006 0.000 1.006 146 S CA 1.556 59.758 58.200 0.003 0.000 0.934 146 S CB 0.971 64.179 63.200 0.013 0.000 0.778 146 S HN 0.106 8.408 8.310 -0.012 0.000 0.517 147 S N 0.669 116.368 115.700 -0.002 0.000 2.269 147 S HA 0.207 4.683 4.470 0.010 0.000 0.194 147 S C -0.655 173.943 174.600 -0.003 0.000 1.547 147 S CA -0.187 58.014 58.200 0.003 0.000 1.186 147 S CB -0.287 62.917 63.200 0.006 0.000 1.069 147 S HN -0.472 7.787 8.310 -0.009 0.046 0.473 148 G N 1.250 110.047 108.800 -0.004 0.000 2.440 148 G HA2 -0.203 3.764 3.960 0.012 0.000 0.684 148 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.684 148 G C -2.580 172.301 174.900 -0.033 0.000 1.309 148 G CA -0.846 44.252 45.100 -0.004 0.000 0.931 148 G HN -0.314 7.976 8.290 0.000 0.000 0.612 149 T N -3.156 111.385 114.554 -0.022 0.000 2.823 149 T HA 0.140 4.533 4.350 -0.235 -0.184 0.279 149 T C -1.153 173.483 174.700 -0.108 0.000 0.998 149 T CA -2.095 59.941 62.100 -0.107 0.000 0.994 149 T CB 2.214 71.127 68.868 0.075 0.000 0.960 149 T HN -0.181 8.068 8.240 0.014 0.000 0.448 150 S N 3.422 118.961 115.700 -0.269 0.000 2.680 150 S HA 0.194 4.670 4.470 0.009 0.000 0.262 150 S C -2.221 172.245 174.600 -0.223 0.000 1.138 150 S CA -0.158 57.974 58.200 -0.114 0.000 1.072 150 S CB 0.968 64.129 63.200 -0.064 0.000 1.097 150 S HN 0.716 9.116 8.310 -0.507 -0.394 0.468 151 Y N 5.670 126.011 120.300 0.070 0.000 2.360 151 Y HA 0.353 4.962 4.550 0.099 0.000 0.337 151 Y C -0.837 175.114 175.900 0.085 0.000 1.039 151 Y CA -2.794 55.362 58.100 0.092 0.000 1.109 151 Y CB 1.158 39.685 38.460 0.113 0.000 1.201 151 Y HN 0.111 8.539 8.280 0.246 0.000 0.458 152 P HA 0.412 4.910 4.420 0.129 0.000 0.281 152 P C -1.579 175.842 177.300 0.201 0.000 1.281 152 P CA -0.956 62.246 63.100 0.171 0.000 0.811 152 P CB 2.208 33.985 31.700 0.129 0.000 1.154 153 D N -2.582 117.915 120.400 0.162 0.000 2.338 153 D HA -0.081 4.617 4.640 0.096 0.000 0.224 153 D C -1.242 175.202 176.300 0.239 0.000 0.967 153 D CA 1.394 55.477 54.000 0.137 0.000 0.896 153 D CB 0.856 41.710 40.800 0.089 0.000 1.028 153 D HN 0.365 8.814 8.370 0.132 0.000 0.493 154 V N -7.587 112.467 119.914 0.234 0.000 2.834 154 V HA 0.658 5.301 4.120 0.402 -0.282 0.313 154 V C -0.698 175.458 176.094 0.104 0.000 1.060 154 V CA -2.733 59.718 62.300 0.252 0.000 0.989 154 V CB 2.001 33.889 31.823 0.108 0.000 1.041 154 V HN -0.896 7.391 8.190 0.162 0.000 0.459 155 L N 2.471 123.632 121.223 -0.103 0.000 2.513 155 L HA -0.071 3.445 4.340 -1.372 0.000 0.272 155 L C -0.281 176.331 176.870 -0.431 0.000 1.187 155 L CA 0.869 55.279 54.840 -0.717 0.000 0.895 155 L CB 0.420 42.019 42.059 -0.767 0.000 1.147 155 L HN 0.029 8.475 8.230 0.102 -0.155 0.483 156 K N 5.925 126.054 120.400 -0.451 0.000 2.156 156 K HA 0.742 5.035 4.320 -0.327 -0.169 0.250 156 K C -1.049 175.298 176.600 -0.422 0.000 0.955 156 K CA -2.605 53.473 56.287 -0.347 0.000 0.855 156 K CB 2.361 34.725 32.500 -0.226 0.000 1.101 156 K HN -0.147 7.766 8.250 -0.563 0.000 0.434 157 c N -0.829 117.419 118.600 -0.586 0.000 2.707 157 c HA 0.951 5.454 4.570 -0.405 -0.176 0.313 157 c C -1.829 171.880 174.090 -0.634 0.000 1.209 157 c CA -0.664 55.255 56.329 -0.684 0.000 1.635 157 c CB 3.618 45.545 42.510 -0.972 0.000 2.206 157 c HN 0.794 8.517 8.230 -0.668 0.106 0.485 158 L N 0.516 121.595 121.223 -0.241 0.000 2.482 158 L HA 0.392 4.804 4.340 0.120 0.000 0.263 158 L C -2.497 174.451 176.870 0.130 0.000 0.957 158 L CA 0.004 54.859 54.840 0.025 0.000 0.836 158 L CB 4.542 46.633 42.059 0.053 0.000 1.324 158 L HN 0.839 8.961 8.230 -0.181 0.000 0.406 159 K N 5.401 125.937 120.400 0.227 0.000 2.185 159 K HA 0.888 5.508 4.320 0.134 -0.219 0.269 159 K C -0.914 175.823 176.600 0.229 0.000 0.987 159 K CA -1.414 54.986 56.287 0.189 0.000 0.865 159 K CB 1.355 33.966 32.500 0.184 0.000 1.090 159 K HN 0.304 8.720 8.250 0.277 0.000 0.450 160 A N 4.080 126.970 122.820 0.117 0.000 2.515 160 A HA 0.665 5.009 4.320 0.040 0.000 0.298 160 A C -3.410 174.111 177.584 -0.104 0.000 1.059 160 A CA -2.742 49.300 52.037 0.008 0.000 0.698 160 A CB 3.144 22.149 19.000 0.008 0.000 1.289 160 A HN 1.079 9.157 8.150 0.060 0.108 0.404 161 P HA 0.744 5.310 4.420 -0.107 -0.211 0.284 161 P C -1.040 176.181 177.300 -0.132 0.000 1.258 161 P CA -1.506 61.500 63.100 -0.156 0.000 0.824 161 P CB 1.561 33.169 31.700 -0.153 0.000 1.038 162 I N 0.583 121.092 120.570 -0.101 0.000 2.529 162 I HA -0.053 4.269 4.170 0.041 -0.127 0.284 162 I C 0.161 176.254 176.117 -0.040 0.000 1.082 162 I CA 0.765 62.028 61.300 -0.061 0.000 1.406 162 I CB 0.285 38.166 38.000 -0.198 0.000 1.405 162 I HN 0.176 8.318 8.210 -0.113 0.000 0.548 163 L N 6.662 127.896 121.223 0.019 0.000 2.416 163 L HA 0.285 4.609 4.340 -0.026 0.000 0.263 163 L C -0.380 176.500 176.870 0.017 0.000 1.065 163 L CA -1.211 53.632 54.840 0.005 0.000 0.798 163 L CB 0.985 43.056 42.059 0.020 0.000 1.267 163 L HN 0.253 8.436 8.230 0.094 0.104 0.467 164 S N -1.557 114.149 115.700 0.010 0.000 2.592 164 S HA 0.012 4.485 4.470 0.005 0.000 0.271 164 S C 0.756 175.377 174.600 0.035 0.000 1.326 164 S CA -0.469 57.739 58.200 0.013 0.000 1.024 164 S CB 1.175 64.378 63.200 0.005 0.000 0.921 164 S HN -0.032 8.280 8.310 0.003 0.000 0.527 165 D N 2.868 123.290 120.400 0.036 0.000 2.149 165 D HA -0.303 4.381 4.640 0.074 0.000 0.198 165 D C 1.562 177.890 176.300 0.046 0.000 0.990 165 D CA 3.673 57.705 54.000 0.052 0.000 0.839 165 D CB -0.239 40.588 40.800 0.044 0.000 0.948 165 D HN 0.736 9.120 8.370 0.024 0.000 0.460 166 S N -1.734 113.984 115.700 0.031 0.000 2.383 166 S HA -0.268 4.220 4.470 0.030 0.000 0.227 166 S C 2.116 176.730 174.600 0.024 0.000 1.026 166 S CA 3.333 61.548 58.200 0.026 0.000 0.981 166 S CB -0.778 62.432 63.200 0.016 0.000 0.818 166 S HN 0.077 8.393 8.310 0.024 0.008 0.472 167 S N 3.945 119.658 115.700 0.021 0.000 2.368 167 S HA -0.255 4.216 4.470 0.003 0.000 0.224 167 S C 1.857 176.469 174.600 0.020 0.000 1.029 167 S CA 4.234 62.441 58.200 0.012 0.000 0.988 167 S CB -0.109 63.096 63.200 0.008 0.000 0.838 167 S HN -0.603 7.640 8.310 0.021 0.080 0.462 168 c N 3.539 122.169 118.600 0.051 0.000 2.436 168 c HA -0.327 4.303 4.570 0.100 0.000 0.277 168 c C 1.828 175.985 174.090 0.110 0.000 1.241 168 c CA 2.827 59.213 56.329 0.095 0.000 1.721 168 c CB -1.763 40.816 42.510 0.114 0.000 2.043 168 c HN 0.063 8.325 8.230 0.052 0.000 0.472 169 K N -0.903 119.550 120.400 0.089 0.000 2.103 169 K HA -0.379 4.017 4.320 0.126 0.000 0.207 169 K C 2.514 179.150 176.600 0.061 0.000 1.048 169 K CA 3.109 59.449 56.287 0.089 0.000 0.930 169 K CB -0.315 32.225 32.500 0.067 0.000 0.716 169 K HN 0.224 8.413 8.250 0.075 0.107 0.444 170 S N -1.599 114.118 115.700 0.028 0.000 2.382 170 S HA -0.237 4.237 4.470 0.008 0.000 0.228 170 S C 1.382 175.956 174.600 -0.044 0.000 1.027 170 S CA 2.582 60.781 58.200 -0.001 0.000 0.991 170 S CB 0.045 63.240 63.200 -0.008 0.000 0.823 170 S HN -0.236 8.003 8.310 0.029 0.088 0.469 171 A N -0.409 122.358 122.820 -0.088 0.000 1.929 171 A HA -0.106 4.060 4.320 -0.257 0.000 0.216 171 A C -0.281 177.041 177.584 -0.438 0.000 1.176 171 A CA 2.025 53.886 52.037 -0.293 0.000 0.628 171 A CB 0.960 19.726 19.000 -0.390 0.000 0.816 171 A HN -0.584 7.426 8.150 -0.043 0.114 0.444 172 Y N -5.831 114.500 120.300 0.053 0.000 2.562 172 Y HA 0.472 5.087 4.550 0.110 0.000 0.363 172 Y C -2.416 173.540 175.900 0.093 0.000 0.991 172 Y CA -3.632 54.530 58.100 0.103 0.000 1.121 172 Y CB 0.029 38.587 38.460 0.163 0.000 1.159 172 Y HN -0.457 7.867 8.280 0.073 0.000 0.651 173 P HA -0.072 4.507 4.420 0.104 -0.097 0.264 173 P C 0.859 178.229 177.300 0.116 0.000 1.193 173 P CA 1.049 64.215 63.100 0.110 0.000 0.763 173 P CB 0.133 31.871 31.700 0.063 0.000 0.810 174 G N 3.872 112.730 108.800 0.097 0.000 2.189 174 G HA2 -0.371 3.625 3.960 0.061 0.000 0.267 174 G HA3 -0.371 3.624 3.960 0.059 0.000 0.267 174 G C 0.163 175.116 174.900 0.088 0.000 0.975 174 G CA 0.678 45.823 45.100 0.075 0.000 0.644 174 G HN 0.524 8.869 8.290 0.091 0.000 0.537 175 Q N -2.028 117.862 119.800 0.149 0.000 2.217 175 Q HA 0.081 4.470 4.340 0.081 0.000 0.217 175 Q C -0.599 175.541 176.000 0.233 0.000 0.844 175 Q CA -0.425 55.480 55.803 0.170 0.000 0.957 175 Q CB 1.347 30.235 28.738 0.250 0.000 1.127 175 Q HN -0.405 7.890 8.270 0.187 0.086 0.503 176 I N 0.052 120.740 120.570 0.198 0.000 2.321 176 I HA 0.052 4.348 4.170 0.209 0.000 0.291 176 I C -0.123 176.065 176.117 0.120 0.000 0.998 176 I CA -2.034 59.369 61.300 0.171 0.000 1.227 176 I CB -0.781 37.309 38.000 0.151 0.000 1.368 176 I HN -0.462 7.851 8.210 0.173 0.000 0.466 177 T N 2.998 117.620 114.554 0.114 0.000 2.893 177 T HA 0.331 4.720 4.350 0.066 0.000 0.279 177 T C 0.809 175.557 174.700 0.079 0.000 0.991 177 T CA -1.900 60.247 62.100 0.080 0.000 0.950 177 T CB 2.285 71.193 68.868 0.067 0.000 1.223 177 T HN -0.353 7.970 8.240 0.137 0.000 0.585 178 S N -2.339 113.395 115.700 0.056 0.000 2.555 178 S HA -0.183 4.323 4.470 0.060 0.000 0.230 178 S C -0.009 174.628 174.600 0.062 0.000 0.978 178 S CA 1.877 60.106 58.200 0.049 0.000 0.934 178 S CB -0.128 63.082 63.200 0.017 0.000 0.766 178 S HN 0.250 8.585 8.310 0.042 0.000 0.533 179 N N 0.024 118.774 118.700 0.082 0.000 2.251 179 N HA 0.131 4.934 4.740 0.105 0.000 0.217 179 N C -1.804 173.817 175.510 0.185 0.000 1.124 179 N CA -0.304 52.826 53.050 0.134 0.000 0.843 179 N CB 0.972 39.564 38.487 0.176 0.000 1.024 179 N HN -0.511 7.837 8.380 0.080 0.079 0.501 180 M N -1.115 118.574 119.600 0.149 0.000 2.619 180 M HA 0.872 5.598 4.480 0.047 -0.217 0.297 180 M C -2.346 174.056 176.300 0.170 0.000 1.229 180 M CA -0.419 54.936 55.300 0.091 0.000 0.860 180 M CB 5.091 37.717 32.600 0.043 0.000 1.741 180 M HN -0.753 7.525 8.290 0.133 0.092 0.462 181 F N -6.573 113.409 119.950 0.054 0.000 2.654 181 F HA 0.605 5.154 4.527 0.037 0.000 0.308 181 F C -2.635 173.210 175.800 0.076 0.000 1.108 181 F CA -1.455 56.577 58.000 0.053 0.000 0.957 181 F CB 2.268 41.299 39.000 0.052 0.000 1.309 181 F HN -0.032 8.098 8.300 -0.283 0.000 0.446 182 c N 0.364 119.129 118.600 0.274 0.000 2.365 182 c HA 1.012 5.842 4.570 0.087 -0.208 0.349 182 c C -0.952 173.339 174.090 0.336 0.000 1.191 182 c CA -0.838 55.609 56.329 0.196 0.000 2.114 182 c CB 2.652 45.240 42.510 0.130 0.000 2.367 182 c HN 0.848 9.269 8.230 0.318 0.000 0.530 183 A N 2.377 125.373 122.820 0.294 0.000 2.497 183 A HA 0.620 5.139 4.320 0.077 -0.152 0.280 183 A C -2.246 175.399 177.584 0.101 0.000 1.065 183 A CA -0.282 51.847 52.037 0.154 0.000 0.781 183 A CB 2.722 21.741 19.000 0.031 0.000 1.289 183 A HN 0.419 8.760 8.150 0.319 0.000 0.415 184 Y N 3.114 123.449 120.300 0.059 0.000 2.486 184 Y HA -0.006 4.565 4.550 0.035 0.000 0.348 184 Y C 1.054 176.973 175.900 0.030 0.000 1.000 184 Y CA -0.048 58.076 58.100 0.040 0.000 1.253 184 Y CB -0.198 38.283 38.460 0.036 0.000 1.140 184 Y HN 0.301 8.695 8.280 0.190 0.000 0.526 185 L N 3.783 125.074 121.223 0.114 0.000 2.353 185 L HA -0.355 4.013 4.340 0.047 0.000 0.220 185 L C 1.082 177.996 176.870 0.074 0.000 1.133 185 L CA 2.302 57.181 54.840 0.065 0.000 0.798 185 L CB -0.436 41.640 42.059 0.030 0.000 0.922 185 L HN 0.492 8.770 8.230 0.080 0.000 0.445 186 E N -2.372 117.894 120.200 0.110 0.000 2.502 186 E HA -0.083 4.297 4.350 0.051 0.000 0.194 186 E C 0.754 177.392 176.600 0.064 0.000 1.062 186 E CA -0.193 56.252 56.400 0.074 0.000 0.867 186 E CB -0.771 28.971 29.700 0.070 0.000 0.888 186 E HN 0.043 8.444 8.360 0.162 0.056 0.510 187 G N 1.010 109.867 108.800 0.094 0.000 3.391 187 G HA2 -0.431 3.588 3.960 0.098 0.000 0.675 187 G HA3 -0.431 3.600 3.960 0.052 -0.040 0.675 187 G C -0.912 174.015 174.900 0.046 0.000 0.899 187 G CA 0.137 45.283 45.100 0.076 0.000 0.755 187 G HN -0.397 7.770 8.290 0.133 0.203 0.475 188 K N 1.229 121.642 120.400 0.022 0.000 7.415 188 K HA -0.605 3.975 4.320 0.029 -0.243 0.652 188 K C -1.352 175.352 176.600 0.173 0.000 2.588 188 K CA 0.308 56.625 56.287 0.050 0.000 1.948 188 K CB 0.053 32.495 32.500 -0.097 0.000 2.086 188 K HN 0.281 8.570 8.250 0.065 0.000 0.274 189 D N -0.270 120.217 120.400 0.144 0.000 2.913 189 D HA 0.242 5.011 4.640 0.216 0.000 0.293 189 D C -1.914 174.461 176.300 0.125 0.000 1.238 189 D CA -0.358 53.740 54.000 0.162 0.000 0.738 189 D CB 3.837 44.715 40.800 0.130 0.000 1.254 189 D HN 0.153 8.584 8.370 0.102 0.000 0.429 190 S N -1.631 114.155 115.700 0.142 0.000 2.686 190 S HA 0.367 4.964 4.470 0.099 -0.067 0.270 190 S C -1.347 173.302 174.600 0.082 0.000 1.194 190 S CA -0.481 57.791 58.200 0.119 0.000 0.990 190 S CB 1.729 65.034 63.200 0.174 0.000 1.029 190 S HN 0.245 8.658 8.310 0.172 0.000 0.560 191 c N -1.977 116.677 118.600 0.089 0.000 3.293 191 c HA 0.237 4.855 4.570 0.079 0.000 0.362 191 c C -1.606 172.571 174.090 0.145 0.000 1.539 191 c CA -0.427 55.957 56.329 0.092 0.000 1.201 191 c CB 2.931 45.476 42.510 0.059 0.000 1.770 191 c HN 0.180 8.735 8.230 0.106 -0.261 0.440 192 Q N 1.716 121.616 119.800 0.167 0.000 2.304 192 Q HA -0.418 4.058 4.340 0.227 0.000 0.301 192 Q C 0.988 177.193 176.000 0.342 0.000 1.063 192 Q CA 2.219 58.168 55.803 0.243 0.000 0.947 192 Q CB 0.617 29.505 28.738 0.250 0.000 1.201 192 Q HN 0.485 8.835 8.270 0.133 0.000 0.389 193 G N 6.359 115.347 108.800 0.314 0.000 2.254 193 G HA2 -0.452 3.658 3.960 0.249 0.000 0.225 193 G HA3 -0.452 3.824 3.960 0.526 0.000 0.225 193 G C 0.405 175.519 174.900 0.357 0.000 1.003 193 G CA 1.065 46.386 45.100 0.368 0.000 0.622 193 G HN 0.398 8.844 8.290 0.259 0.000 0.507 194 D N 2.165 122.724 120.400 0.264 0.000 2.327 194 D HA 0.135 4.922 4.640 0.245 0.000 0.205 194 D C 0.058 176.452 176.300 0.158 0.000 0.989 194 D CA 0.808 54.933 54.000 0.209 0.000 0.873 194 D CB 0.757 41.650 40.800 0.155 0.000 0.955 194 D HN 0.128 8.542 8.370 0.245 0.103 0.515 195 S N -1.184 114.604 115.700 0.148 0.000 2.599 195 S HA -0.557 4.131 4.470 0.137 -0.137 0.303 195 S C 1.179 175.791 174.600 0.019 0.000 1.267 195 S CA 2.014 60.280 58.200 0.110 0.000 1.055 195 S CB -0.163 63.133 63.200 0.159 0.000 0.790 195 S HN -0.647 7.736 8.310 0.177 0.033 0.500 196 G N 4.347 113.159 108.800 0.019 0.000 2.225 196 G HA2 -0.466 3.551 3.960 -0.002 0.000 0.254 196 G HA3 -0.466 3.557 3.960 -0.059 -0.098 0.254 196 G C -0.129 174.806 174.900 0.058 0.000 0.988 196 G CA 0.228 45.327 45.100 -0.003 0.000 0.625 196 G HN 0.929 9.152 8.290 0.063 0.104 0.527 197 G N 0.749 109.606 108.800 0.096 0.000 2.616 197 G HA2 0.350 4.458 3.960 0.123 0.000 0.268 197 G HA3 0.350 4.384 3.960 0.124 0.000 0.268 197 G C -2.663 172.322 174.900 0.143 0.000 1.213 197 G CA -2.018 43.156 45.100 0.123 0.000 0.926 197 G HN -0.119 8.065 8.290 0.102 0.167 0.523 198 P HA 0.343 4.970 4.420 0.134 -0.127 0.282 198 P C -1.640 175.733 177.300 0.121 0.000 1.249 198 P CA -0.894 62.301 63.100 0.158 0.000 0.806 198 P CB 1.606 33.454 31.700 0.246 0.000 0.984 199 V N 2.735 122.698 119.914 0.082 0.000 2.380 199 V HA 0.271 4.549 4.120 -0.002 -0.159 0.286 199 V C -1.336 174.767 176.094 0.015 0.000 1.015 199 V CA -0.486 61.824 62.300 0.016 0.000 0.834 199 V CB 1.790 33.594 31.823 -0.033 0.000 1.009 199 V HN -0.125 8.117 8.190 0.087 0.000 0.428 200 V N 8.069 127.986 119.914 0.004 0.000 2.459 200 V HA 0.591 4.856 4.120 -0.067 -0.185 0.295 200 V C -1.408 174.668 176.094 -0.030 0.000 1.029 200 V CA -1.271 61.005 62.300 -0.039 0.000 0.874 200 V CB 3.067 34.853 31.823 -0.062 0.000 0.985 200 V HN 0.753 8.960 8.190 0.028 0.000 0.438 201 c N 7.675 126.244 118.600 -0.051 0.000 2.431 201 c HA 0.594 5.142 4.570 -0.036 0.000 0.321 201 c C 0.083 174.144 174.090 -0.048 0.000 1.202 201 c CA -1.178 55.120 56.329 -0.052 0.000 1.398 201 c CB 1.863 44.322 42.510 -0.086 0.000 2.047 201 c HN 0.665 8.858 8.230 -0.063 0.000 0.465 202 S N 4.442 120.123 115.700 -0.032 0.000 3.614 202 S HA -0.415 4.046 4.470 -0.016 0.000 0.360 202 S C 0.491 175.073 174.600 -0.029 0.000 1.023 202 S CA 1.000 59.184 58.200 -0.026 0.000 1.114 202 S CB -2.024 61.156 63.200 -0.034 0.000 0.907 202 S HN 1.109 9.406 8.310 -0.022 0.000 0.470 203 G N -4.480 104.303 108.800 -0.029 0.000 2.179 203 G HA2 -0.514 3.421 3.960 -0.043 0.000 0.257 203 G HA3 -0.514 3.430 3.960 -0.027 0.000 0.257 203 G C -1.253 173.602 174.900 -0.075 0.000 1.010 203 G CA 0.438 45.512 45.100 -0.043 0.000 0.736 203 G HN 0.377 8.642 8.290 -0.021 0.013 0.513 210 Q N 1.319 121.134 119.800 0.025 0.000 2.373 210 Q HA 0.165 4.536 4.340 0.053 0.000 0.210 210 Q C -0.152 176.003 176.000 0.260 0.000 0.913 210 Q CA 0.342 56.183 55.803 0.063 0.000 0.911 210 Q CB 2.491 31.186 28.738 -0.072 0.000 1.040 210 Q HN 0.303 8.576 8.270 0.004 0.000 0.521 211 G N -3.854 105.116 108.800 0.284 0.000 2.694 211 G HA2 0.611 5.052 3.960 0.401 0.000 0.290 211 G HA3 0.611 4.849 3.960 0.463 0.000 0.290 211 G C -3.251 171.773 174.900 0.206 0.000 1.386 211 G CA -0.698 44.617 45.100 0.358 0.000 0.872 211 G HN -0.474 7.919 8.290 0.172 0.000 0.475 212 I N -1.258 119.428 120.570 0.194 0.000 2.466 212 I HA 0.604 5.099 4.170 0.161 -0.228 0.289 212 I C -0.355 175.883 176.117 0.201 0.000 1.026 212 I CA -1.410 59.986 61.300 0.160 0.000 1.078 212 I CB 3.987 42.040 38.000 0.088 0.000 1.249 212 I HN -0.409 7.905 8.210 0.174 0.000 0.429 213 V N 7.505 127.555 119.914 0.228 0.000 2.493 213 V HA -0.224 3.936 4.120 0.066 0.000 0.292 213 V C -1.142 174.966 176.094 0.024 0.000 1.016 213 V CA 2.186 64.566 62.300 0.133 0.000 1.097 213 V CB -1.025 30.896 31.823 0.164 0.000 0.947 213 V HN 0.421 8.735 8.190 0.206 0.000 0.479 214 S N 7.339 122.955 115.700 -0.140 0.000 3.200 214 S HA 0.424 5.055 4.470 0.268 0.000 0.209 214 S C -1.344 173.338 174.600 0.137 0.000 0.869 214 S CA 1.144 59.394 58.200 0.083 0.000 0.820 214 S CB 2.316 65.551 63.200 0.059 0.000 0.834 214 S HN -0.085 7.941 8.310 -0.474 0.000 0.622 215 W N -4.033 117.109 121.300 -0.262 0.000 3.018 215 W HA 0.317 4.871 4.660 -0.178 0.000 0.382 215 W C -2.529 173.818 176.519 -0.286 0.000 1.161 215 W CA -0.959 56.236 57.345 -0.248 0.000 1.144 215 W CB 1.594 30.896 29.460 -0.263 0.000 1.499 215 W HN -0.374 7.530 8.180 -0.461 0.000 0.596 216 G N -3.394 105.490 108.800 0.139 0.000 2.368 216 G HA2 0.114 3.872 3.960 -0.337 0.000 0.293 216 G HA3 0.114 4.040 3.960 -0.057 0.000 0.293 216 G C -1.887 173.159 174.900 0.244 0.000 1.467 216 G CA 0.076 45.170 45.100 -0.009 0.000 0.804 216 G HN 0.001 8.542 8.290 0.418 0.000 0.535 220 c N 2.035 120.677 118.600 0.069 0.000 3.465 220 c HA 0.287 5.019 4.570 0.068 -0.122 0.193 220 c C -1.533 172.591 174.090 0.056 0.000 1.515 220 c CA -0.696 55.670 56.329 0.061 0.000 1.340 220 c CB -1.226 41.312 42.510 0.048 0.000 1.928 220 c HN 0.336 8.602 8.230 0.060 0.000 0.510 221 Q N -1.780 118.057 119.800 0.061 0.000 2.920 221 Q HA 0.140 4.504 4.340 0.039 0.000 0.255 221 Q C -1.499 174.526 176.000 0.042 0.000 0.976 221 Q CA -0.589 55.242 55.803 0.047 0.000 0.862 221 Q CB 2.246 31.013 28.738 0.048 0.000 1.952 221 Q HN 0.123 8.435 8.270 0.071 0.000 0.489 222 K N 3.613 124.031 120.400 0.028 0.000 2.448 222 K HA -0.218 4.268 4.320 0.035 -0.145 0.278 222 K C 0.161 176.760 176.600 -0.003 0.000 1.009 222 K CA 0.570 56.870 56.287 0.021 0.000 0.995 222 K CB 0.006 32.515 32.500 0.015 0.000 0.917 222 K HN 0.218 8.484 8.250 0.025 0.000 0.481 223 N N 2.162 120.856 118.700 -0.010 0.000 2.708 223 N HA -0.478 4.233 4.740 -0.048 0.000 0.251 223 N C -1.742 173.691 175.510 -0.128 0.000 1.123 223 N CA 1.694 54.709 53.050 -0.058 0.000 0.739 223 N CB -0.426 38.022 38.487 -0.065 0.000 1.113 223 N HN 0.743 8.996 8.380 0.012 0.134 0.561 224 K N -2.467 117.891 120.400 -0.069 0.000 2.753 224 K HA 0.546 4.665 4.320 -0.334 0.000 0.185 224 K C -2.520 174.130 176.600 0.082 0.000 1.071 224 K CA -3.502 52.741 56.287 -0.074 0.000 0.999 224 K CB 0.135 32.652 32.500 0.028 0.000 1.244 224 K HN -0.781 7.411 8.250 -0.010 0.053 0.594 225 P HA 0.028 4.513 4.420 0.108 0.000 0.277 225 P C -0.682 176.676 177.300 0.096 0.000 1.271 225 P CA -0.666 62.504 63.100 0.116 0.000 0.795 225 P CB 1.334 33.090 31.700 0.092 0.000 1.101 226 G N -2.243 106.573 108.800 0.027 0.000 2.476 226 G HA2 0.314 4.166 3.960 -0.342 0.000 0.269 226 G HA3 0.314 4.102 3.960 -0.288 0.000 0.269 226 G C -1.833 172.755 174.900 -0.519 0.000 1.195 226 G CA -0.693 44.239 45.100 -0.280 0.000 0.843 226 G HN -0.369 7.994 8.290 0.122 0.000 0.545 227 V N 1.691 120.979 119.914 -1.044 0.000 2.495 227 V HA 0.592 4.462 4.120 -0.701 -0.170 0.298 227 V C -1.034 174.326 176.094 -1.225 0.000 1.031 227 V CA -0.978 60.651 62.300 -1.117 0.000 0.871 227 V CB 2.164 32.877 31.823 -1.850 0.000 0.988 227 V HN 0.459 7.998 8.190 -1.084 0.000 0.432 228 Y N 5.215 125.086 120.300 -0.715 0.000 2.485 228 Y HA 0.578 5.034 4.550 -0.407 -0.149 0.345 228 Y C 0.248 175.826 175.900 -0.537 0.000 0.998 228 Y CA -2.264 55.421 58.100 -0.690 0.000 1.059 228 Y CB 3.727 41.498 38.460 -1.148 0.000 1.234 228 Y HN 0.936 8.810 8.280 -0.678 0.000 0.461 229 T N 4.844 119.342 114.554 -0.093 0.000 2.870 229 T HA -0.010 4.532 4.350 0.072 -0.148 0.300 229 T C -0.651 174.169 174.700 0.199 0.000 0.989 229 T CA 1.608 63.741 62.100 0.055 0.000 1.139 229 T CB 0.551 69.441 68.868 0.038 0.000 0.920 229 T HN 0.470 8.690 8.240 -0.033 0.000 0.537 230 K N 7.954 128.560 120.400 0.343 0.000 2.183 230 K HA 0.086 4.829 4.320 0.704 0.000 0.272 230 K C 1.054 177.905 176.600 0.419 0.000 1.113 230 K CA -0.501 56.072 56.287 0.477 0.000 0.949 230 K CB -0.343 32.384 32.500 0.379 0.000 1.365 230 K HN 0.397 8.726 8.250 0.313 0.109 0.420 231 V N 6.108 126.251 119.914 0.382 0.000 2.380 231 V HA -0.555 3.850 4.120 0.476 0.000 0.251 231 V C 1.461 177.714 176.094 0.266 0.000 1.063 231 V CA 4.015 66.523 62.300 0.347 0.000 1.055 231 V CB -0.328 31.632 31.823 0.228 0.000 0.657 231 V HN 0.328 8.760 8.190 0.404 0.000 0.455 232 c N -3.480 115.213 118.600 0.155 0.000 2.410 232 c HA -0.233 4.382 4.570 0.074 0.000 0.281 232 c C 1.757 175.865 174.090 0.030 0.000 1.318 232 c CA 1.761 58.134 56.329 0.073 0.000 1.776 232 c CB -2.097 40.426 42.510 0.023 0.000 1.942 232 c HN 0.505 8.826 8.230 0.152 0.000 0.508 233 N N 0.108 118.796 118.700 -0.020 0.000 2.515 233 N HA -0.095 4.550 4.740 -0.158 0.000 0.185 233 N C -0.060 175.196 175.510 -0.423 0.000 1.109 233 N CA 1.150 54.052 53.050 -0.247 0.000 0.903 233 N CB -0.330 37.903 38.487 -0.423 0.000 0.969 233 N HN -0.347 8.033 8.380 0.060 0.035 0.450 234 Y N -4.801 115.567 120.300 0.112 0.000 2.500 234 Y HA 0.119 4.797 4.550 0.213 0.000 0.246 234 Y C 0.190 176.222 175.900 0.219 0.000 1.146 234 Y CA -0.164 58.055 58.100 0.197 0.000 1.230 234 Y CB 0.095 38.692 38.460 0.229 0.000 1.214 234 Y HN -0.122 8.054 8.280 0.155 0.197 0.526 235 V N 1.296 121.339 119.914 0.216 0.000 2.287 235 V HA -0.601 3.614 4.120 0.159 0.000 0.248 235 V C 1.308 177.476 176.094 0.124 0.000 1.053 235 V CA 5.142 67.531 62.300 0.149 0.000 1.027 235 V CB -0.544 31.327 31.823 0.080 0.000 0.646 235 V HN -0.905 7.373 8.190 0.146 0.000 0.447 236 S N -0.275 115.496 115.700 0.118 0.000 2.382 236 S HA -0.328 4.167 4.470 0.041 0.000 0.228 236 S C 1.631 176.307 174.600 0.127 0.000 1.027 236 S CA 3.599 61.853 58.200 0.090 0.000 0.991 236 S CB -0.497 62.751 63.200 0.079 0.000 0.823 236 S HN 0.210 8.585 8.310 0.108 0.000 0.469 237 W N 4.005 125.341 121.300 0.061 0.000 2.355 237 W HA -0.166 4.520 4.660 0.044 0.000 0.309 237 W C 1.441 177.977 176.519 0.028 0.000 1.206 237 W CA 3.055 60.447 57.345 0.079 0.000 1.284 237 W CB -0.005 29.582 29.460 0.213 0.000 1.145 237 W HN -0.438 7.974 8.180 0.387 0.000 0.502 238 I N -0.996 119.614 120.570 0.067 0.000 2.127 238 I HA -0.770 3.060 4.170 -0.566 0.000 0.241 238 I C 1.886 177.791 176.117 -0.355 0.000 1.075 238 I CA 4.590 65.750 61.300 -0.233 0.000 1.334 238 I CB -0.248 37.769 38.000 0.028 0.000 1.040 238 I HN 0.255 8.695 8.210 0.383 0.000 0.405 239 K N -1.204 119.080 120.400 -0.193 0.000 2.063 239 K HA -0.439 3.734 4.320 -0.245 0.000 0.208 239 K C 2.770 179.219 176.600 -0.252 0.000 1.048 239 K CA 3.736 59.899 56.287 -0.207 0.000 0.928 239 K CB -0.397 32.040 32.500 -0.105 0.000 0.713 239 K HN -0.279 7.923 8.250 -0.080 0.000 0.442 240 Q N -1.785 117.880 119.800 -0.226 0.000 2.050 240 Q HA -0.326 3.920 4.340 -0.157 0.000 0.202 240 Q C 2.632 178.441 176.000 -0.318 0.000 0.980 240 Q CA 3.511 59.187 55.803 -0.211 0.000 0.840 240 Q CB 0.005 28.664 28.738 -0.131 0.000 0.898 240 Q HN 0.120 8.283 8.270 -0.178 0.000 0.424 241 T N 2.713 116.950 114.554 -0.528 0.000 2.708 241 T HA -0.281 3.825 4.350 -0.406 0.000 0.266 241 T C 2.375 176.753 174.700 -0.537 0.000 1.037 241 T CA 4.894 66.644 62.100 -0.585 0.000 1.146 241 T CB -0.197 68.043 68.868 -1.047 0.000 0.865 241 T HN 0.063 7.914 8.240 -0.649 0.000 0.435 242 I N 0.858 120.996 120.570 -0.720 0.000 2.226 242 I HA -0.489 2.874 4.170 -1.344 0.000 0.245 242 I C 1.850 177.731 176.117 -0.394 0.000 1.100 242 I CA 3.780 64.531 61.300 -0.915 0.000 1.374 242 I CB -0.420 36.953 38.000 -1.045 0.000 1.057 242 I HN -0.036 7.747 8.210 -0.713 0.000 0.413 243 A N -0.355 122.287 122.820 -0.297 0.000 1.940 243 A HA -0.234 4.016 4.320 -0.117 0.000 0.219 243 A C 1.406 178.934 177.584 -0.093 0.000 1.176 243 A CA 2.826 54.771 52.037 -0.152 0.000 0.631 243 A CB -0.470 18.453 19.000 -0.129 0.000 0.814 243 A HN 0.054 7.993 8.150 -0.342 0.006 0.446 244 S N -4.439 111.195 115.700 -0.109 0.000 2.605 244 S HA 0.102 4.555 4.470 -0.028 0.000 0.217 244 S C -0.477 174.126 174.600 0.005 0.000 0.958 244 S CA 0.822 58.994 58.200 -0.047 0.000 0.919 244 S CB 0.674 63.838 63.200 -0.060 0.000 0.780 244 S HN -0.402 7.699 8.310 -0.172 0.105 0.507 245 N N 0.000 118.731 118.700 0.051 0.000 1.763 245 N HA 0.000 4.811 4.740 0.118 0.000 0.220 245 N CA 0.000 53.157 53.050 0.178 0.000 0.885 245 N CB 0.000 38.662 38.487 0.292 0.000 1.341 245 N HN 0.000 8.215 8.380 0.009 0.170 0.667