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 1o31_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 4.188 4.170 0.031 0.000 0.288 16 I C 0.000 176.114 176.117 -0.005 0.000 1.063 16 I CA 0.000 61.302 61.300 0.003 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.057 0.000 1.214 17 V N 6.011 125.931 119.914 0.010 0.000 2.435 17 V HA 0.347 4.590 4.120 -0.012 -0.130 0.290 17 V C 0.400 176.494 176.094 0.001 0.000 1.030 17 V CA -1.652 60.649 62.300 0.001 0.000 0.881 17 V CB 1.494 33.323 31.823 0.010 0.000 0.983 17 V HN 0.773 8.982 8.190 0.030 0.000 0.445 18 G N 5.848 114.643 108.800 -0.009 0.000 2.143 18 G HA2 -0.378 3.574 3.960 -0.014 0.000 0.248 18 G HA3 -0.378 3.712 3.960 -0.033 -0.150 0.248 18 G C -0.440 174.465 174.900 0.007 0.000 0.991 18 G CA 0.287 45.379 45.100 -0.014 0.000 0.689 18 G HN 0.540 8.824 8.290 -0.011 0.000 0.522 19 G N -1.016 107.784 108.800 0.001 0.000 2.583 19 G HA2 0.482 4.466 3.960 0.051 0.000 0.280 19 G HA3 0.482 4.447 3.960 -0.111 -0.072 0.280 19 G C -1.670 173.255 174.900 0.042 0.000 1.376 19 G CA -1.021 44.069 45.100 -0.016 0.000 1.043 19 G HN -0.687 7.555 8.290 -0.014 0.040 0.538 20 Y N -6.186 114.097 120.300 -0.028 0.000 2.638 20 Y HA 0.380 4.915 4.550 -0.024 0.000 0.339 20 Y C -1.765 174.113 175.900 -0.037 0.000 1.084 20 Y CA -2.873 55.211 58.100 -0.028 0.000 1.068 20 Y CB 1.134 39.580 38.460 -0.023 0.000 1.294 20 Y HN 0.281 8.173 8.280 -0.646 0.000 0.480 21 T N 2.307 116.922 114.554 0.101 0.000 2.834 21 T HA 0.074 4.505 4.350 -0.081 -0.129 0.298 21 T C 0.159 174.892 174.700 0.055 0.000 0.966 21 T CA 1.089 63.197 62.100 0.014 0.000 1.141 21 T CB -0.076 68.825 68.868 0.055 0.000 0.905 21 T HN 0.011 8.360 8.240 0.181 0.000 0.535 22 c N 6.114 124.656 118.600 -0.096 0.000 2.440 22 c HA -0.083 4.511 4.570 0.041 0.000 0.278 22 c C 0.224 174.336 174.090 0.037 0.000 1.295 22 c CA 0.623 56.925 56.329 -0.045 0.000 1.738 22 c CB 0.254 42.666 42.510 -0.163 0.000 1.987 22 c HN 0.049 8.172 8.230 -0.178 0.000 0.492 23 G N -1.712 107.096 108.800 0.013 0.000 2.885 23 G HA2 -0.171 3.809 3.960 0.032 0.000 0.685 23 G HA3 -0.171 3.810 3.960 0.035 0.000 0.685 23 G C -1.876 173.029 174.900 0.008 0.000 1.216 23 G CA -0.766 44.349 45.100 0.026 0.000 0.790 23 G HN -0.365 7.918 8.290 -0.011 0.000 0.631 24 A N 3.681 126.513 122.820 0.020 0.000 2.565 24 A HA -0.234 4.342 4.320 0.035 -0.234 0.237 24 A C -0.313 177.278 177.584 0.012 0.000 1.053 24 A CA 1.024 53.076 52.037 0.025 0.000 0.755 24 A CB 0.121 19.141 19.000 0.033 0.000 0.980 24 A HN 0.306 8.472 8.150 0.026 0.000 0.506 25 N N -3.112 115.593 118.700 0.009 0.000 2.678 25 N HA -0.372 4.360 4.740 -0.014 0.000 0.249 25 N C 0.570 176.062 175.510 -0.030 0.000 1.119 25 N CA 1.775 54.820 53.050 -0.008 0.000 0.718 25 N CB -1.066 37.426 38.487 0.008 0.000 1.060 25 N HN 0.549 8.944 8.380 0.026 0.000 0.552 26 T N -3.705 110.824 114.554 -0.043 0.000 3.081 26 T HA 0.009 4.351 4.350 -0.014 0.000 0.255 26 T C 0.035 174.683 174.700 -0.087 0.000 1.113 26 T CA 2.072 64.151 62.100 -0.035 0.000 1.082 26 T CB 0.481 69.344 68.868 -0.009 0.000 0.939 26 T HN -0.555 7.624 8.240 -0.046 0.034 0.506 27 V N 2.493 122.296 119.914 -0.184 0.000 2.260 27 V HA 0.388 4.271 4.120 -0.396 0.000 0.263 27 V C -1.478 174.315 176.094 -0.501 0.000 1.036 27 V CA -3.403 58.644 62.300 -0.422 0.000 0.874 27 V CB 0.556 32.109 31.823 -0.450 0.000 1.116 27 V HN -0.508 7.530 8.190 -0.156 0.058 0.454 28 P HA 0.049 4.524 4.420 -0.094 -0.111 0.226 28 P C 0.221 177.457 177.300 -0.107 0.000 1.153 28 P CA 1.645 64.666 63.100 -0.133 0.000 0.777 28 P CB 0.141 31.838 31.700 -0.003 0.000 0.794 29 Y N -5.998 114.327 120.300 0.042 0.000 2.466 29 Y HA 0.462 5.180 4.550 0.057 -0.133 0.272 29 Y C -0.503 175.433 175.900 0.061 0.000 1.169 29 Y CA -3.204 54.926 58.100 0.051 0.000 1.285 29 Y CB -1.340 37.146 38.460 0.044 0.000 1.078 29 Y HN -0.430 7.231 8.280 -0.962 0.042 0.523 30 Q N 2.952 122.603 119.800 -0.247 0.000 2.297 30 Q HA 0.150 4.666 4.340 0.078 -0.129 0.267 30 Q C -0.306 175.773 176.000 0.133 0.000 1.006 30 Q CA 0.116 55.893 55.803 -0.043 0.000 0.896 30 Q CB 0.824 29.432 28.738 -0.217 0.000 1.186 30 Q HN -0.645 7.244 8.270 -0.539 0.058 0.392 31 V N 1.770 121.800 119.914 0.194 0.000 3.046 31 V HA 0.788 5.141 4.120 0.197 -0.115 0.316 31 V C -1.879 174.370 176.094 0.259 0.000 1.104 31 V CA -2.943 59.472 62.300 0.191 0.000 1.006 31 V CB 3.803 35.688 31.823 0.102 0.000 1.058 31 V HN 0.271 8.571 8.190 0.182 0.000 0.440 32 S N 0.367 116.129 115.700 0.103 0.000 2.473 32 S HA 0.439 5.164 4.470 0.244 -0.108 0.307 32 S C -1.068 173.436 174.600 -0.160 0.000 1.094 32 S CA -1.984 56.221 58.200 0.008 0.000 1.070 32 S CB 1.821 64.791 63.200 -0.383 0.000 1.019 32 S HN -0.135 8.190 8.310 0.026 0.000 0.480 33 L N 6.946 127.954 121.223 -0.359 0.000 2.272 33 L HA 0.511 4.757 4.340 -0.357 -0.120 0.289 33 L C -1.622 174.808 176.870 -0.733 0.000 1.032 33 L CA -0.832 53.645 54.840 -0.606 0.000 0.810 33 L CB 0.899 42.383 42.059 -0.958 0.000 1.205 33 L HN 0.657 8.659 8.230 -0.380 0.000 0.422 38 G N 0.917 109.612 108.800 -0.175 0.000 2.184 38 G HA2 -0.334 3.611 3.960 -0.025 0.000 0.206 38 G HA3 -0.334 3.684 3.960 0.096 0.000 0.206 38 G C -1.845 173.134 174.900 0.132 0.000 0.995 38 G CA 0.195 45.300 45.100 0.008 0.000 0.651 38 G HN 0.311 8.767 8.290 -0.204 -0.289 0.511 39 Y N -6.884 113.392 120.300 -0.040 0.000 2.702 39 Y HA 0.212 4.726 4.550 -0.060 0.000 0.336 39 Y C -2.460 173.434 175.900 -0.008 0.000 1.203 39 Y CA -3.477 54.601 58.100 -0.038 0.000 1.072 39 Y CB 0.645 39.081 38.460 -0.039 0.000 1.327 39 Y HN -1.187 6.852 8.280 -0.441 -0.024 0.456 40 H N 2.679 121.702 119.070 -0.078 0.000 2.767 40 H HA -0.012 4.503 4.556 -0.320 -0.151 0.316 40 H C -0.498 174.802 175.328 -0.046 0.000 1.059 40 H CA -0.188 55.745 56.048 -0.192 0.000 1.461 40 H CB 0.260 29.890 29.762 -0.220 0.000 1.475 40 H HN 0.362 8.740 8.280 0.164 0.000 0.531 41 F N 2.442 121.915 119.950 -0.795 0.000 2.747 41 F HA 0.311 4.683 4.527 -0.259 0.000 0.305 41 F C -1.473 174.042 175.800 -0.475 0.000 1.065 41 F CA -0.529 57.189 58.000 -0.470 0.000 1.230 41 F CB 1.555 40.367 39.000 -0.314 0.000 1.027 41 F HN 0.250 7.883 8.300 -1.111 0.000 0.607 42 c N -1.800 116.150 118.600 -1.084 0.000 3.332 42 c HA 0.314 4.770 4.570 -0.191 0.000 0.329 42 c C -1.622 172.318 174.090 -0.249 0.000 1.434 42 c CA -0.277 55.768 56.329 -0.472 0.000 1.314 42 c CB 4.123 46.409 42.510 -0.375 0.000 1.664 42 c HN -0.838 6.467 8.230 -1.541 0.000 0.457 43 G N -1.170 107.636 108.800 0.010 0.000 2.705 43 G HA2 0.821 5.084 3.960 0.258 0.000 0.299 43 G HA3 0.821 4.906 3.960 0.209 0.000 0.299 43 G C -2.567 172.365 174.900 0.053 0.000 1.315 43 G CA -1.674 43.519 45.100 0.155 0.000 1.045 43 G HN 0.853 9.037 8.290 0.004 0.108 0.517 44 G N -4.010 104.851 108.800 0.101 0.000 2.506 44 G HA2 0.518 4.807 3.960 0.072 0.000 0.292 44 G HA3 0.518 4.513 3.960 0.057 0.000 0.292 44 G C -2.848 172.136 174.900 0.141 0.000 1.425 44 G CA 0.347 45.498 45.100 0.086 0.000 0.788 44 G HN -0.616 7.766 8.290 0.152 0.000 0.490 45 S N -0.356 115.433 115.700 0.148 0.000 2.532 45 S HA 0.782 5.612 4.470 0.275 -0.195 0.299 45 S C -1.304 173.401 174.600 0.176 0.000 1.105 45 S CA -0.922 57.400 58.200 0.203 0.000 1.018 45 S CB 3.737 67.039 63.200 0.170 0.000 1.021 45 S HN 0.513 8.897 8.310 0.123 0.000 0.483 46 L N 6.369 127.713 121.223 0.201 0.000 2.313 46 L HA 0.149 4.691 4.340 0.150 -0.112 0.282 46 L C -0.773 176.186 176.870 0.148 0.000 1.092 46 L CA -0.082 54.856 54.840 0.164 0.000 0.831 46 L CB 0.886 43.041 42.059 0.160 0.000 1.159 46 L HN 0.336 8.725 8.230 0.264 0.000 0.442 47 I N 0.149 120.803 120.570 0.140 0.000 4.070 47 I HA 0.479 4.839 4.170 0.074 -0.146 0.328 47 I C -0.924 175.257 176.117 0.107 0.000 1.298 47 I CA -0.562 60.798 61.300 0.101 0.000 1.173 47 I CB 0.908 38.957 38.000 0.081 0.000 1.051 47 I HN 0.328 8.639 8.210 0.167 0.000 0.409 48 N N -2.298 116.488 118.700 0.144 0.000 3.116 48 N HA 0.167 4.968 4.740 0.101 0.000 0.244 48 N C -0.521 175.070 175.510 0.135 0.000 1.485 48 N CA -0.629 52.503 53.050 0.136 0.000 0.884 48 N CB 0.886 39.469 38.487 0.159 0.000 1.415 48 N HN -0.916 7.565 8.380 0.169 0.000 0.524 49 S N -3.569 112.195 115.700 0.107 0.000 2.547 49 S HA -0.330 4.181 4.470 0.068 0.000 0.235 49 S C 0.772 175.402 174.600 0.050 0.000 0.980 49 S CA 2.681 60.925 58.200 0.073 0.000 0.941 49 S CB -0.190 63.042 63.200 0.054 0.000 0.763 49 S HN 0.401 8.771 8.310 0.101 0.000 0.532 50 Q N -0.594 119.247 119.800 0.068 0.000 2.140 50 Q HA 0.336 4.608 4.340 -0.112 0.000 0.227 50 Q C -2.169 173.683 176.000 -0.246 0.000 0.798 50 Q CA -0.366 55.373 55.803 -0.108 0.000 0.987 50 Q CB 2.936 31.574 28.738 -0.166 0.000 1.161 50 Q HN 0.170 8.841 8.270 0.168 -0.301 0.480 51 W N -1.743 119.564 121.300 0.012 0.000 2.819 51 W HA 0.626 5.475 4.660 0.009 -0.184 0.337 51 W C -1.393 175.141 176.519 0.025 0.000 1.077 51 W CA -1.068 56.283 57.345 0.011 0.000 1.226 51 W CB 3.711 33.168 29.460 -0.005 0.000 1.419 51 W HN -0.022 8.493 8.180 0.271 -0.172 0.502 52 V N 1.344 121.420 119.914 0.270 0.000 2.823 52 V HA 0.786 5.181 4.120 0.172 -0.172 0.312 52 V C -1.470 174.737 176.094 0.189 0.000 1.072 52 V CA -1.748 60.660 62.300 0.180 0.000 0.937 52 V CB 3.810 35.697 31.823 0.106 0.000 1.013 52 V HN 0.487 8.853 8.190 0.293 0.000 0.430 53 V N 5.484 125.488 119.914 0.149 0.000 2.555 53 V HA 0.738 5.117 4.120 0.155 -0.166 0.302 53 V C -1.325 174.826 176.094 0.095 0.000 1.038 53 V CA -1.352 61.028 62.300 0.134 0.000 0.887 53 V CB 2.510 34.406 31.823 0.121 0.000 0.991 53 V HN 0.607 8.880 8.190 0.138 0.000 0.434 54 S N 4.073 119.815 115.700 0.069 0.000 2.973 54 S HA 0.563 5.275 4.470 0.028 -0.225 0.317 54 S C -2.087 172.496 174.600 -0.028 0.000 1.196 54 S CA -2.418 55.792 58.200 0.018 0.000 0.894 54 S CB 2.393 65.591 63.200 -0.002 0.000 1.292 54 S HN 0.589 8.949 8.310 0.083 0.000 0.614 55 A N -0.531 122.225 122.820 -0.107 0.000 2.306 55 A HA 0.458 4.853 4.320 -0.139 -0.158 0.314 55 A C 0.744 178.176 177.584 -0.252 0.000 1.164 55 A CA -1.629 50.291 52.037 -0.194 0.000 0.822 55 A CB 1.548 20.360 19.000 -0.313 0.000 1.130 55 A HN 0.258 8.335 8.150 -0.123 0.000 0.496 56 A N 5.147 127.766 122.820 -0.335 0.000 1.972 56 A HA -0.258 3.904 4.320 -0.263 0.000 0.219 56 A C 1.405 178.724 177.584 -0.442 0.000 1.169 56 A CA 2.919 54.650 52.037 -0.510 0.000 0.635 56 A CB -0.418 17.895 19.000 -1.144 0.000 0.810 56 A HN 0.660 8.622 8.150 -0.315 -0.000 0.446 57 H N -5.013 113.884 119.070 -0.289 0.000 2.563 57 H HA -0.088 4.488 4.556 0.034 0.000 0.272 57 H C 0.310 175.682 175.328 0.072 0.000 1.005 57 H CA 1.459 57.499 56.048 -0.014 0.000 1.171 57 H CB -1.148 28.675 29.762 0.101 0.000 1.351 57 H HN 0.052 8.476 8.280 -0.270 -0.306 0.602 58 c N -1.882 116.616 118.600 -0.171 0.000 2.697 58 c HA 0.005 4.657 4.570 0.135 0.000 0.267 58 c C 0.467 174.650 174.090 0.155 0.000 1.278 58 c CA 0.263 56.615 56.329 0.038 0.000 1.708 58 c CB -1.580 40.908 42.510 -0.036 0.000 1.860 58 c HN -0.087 7.782 8.230 -0.286 0.189 0.589 59 Y N 3.442 123.743 120.300 0.002 0.000 2.702 59 Y HA -0.269 4.302 4.550 0.035 0.000 0.336 59 Y C -0.714 175.170 175.900 -0.027 0.000 1.235 59 Y CA 2.148 60.252 58.100 0.008 0.000 1.492 59 Y CB 0.594 39.044 38.460 -0.016 0.000 1.308 59 Y HN -0.517 7.675 8.280 0.146 0.176 0.589 60 K N 5.232 124.896 120.400 -1.227 0.000 2.772 60 K HA 0.170 4.063 4.320 -0.712 0.000 0.292 60 K C -2.556 173.531 176.600 -0.855 0.000 1.049 60 K CA -1.044 54.723 56.287 -0.867 0.000 0.846 60 K CB 2.103 34.259 32.500 -0.573 0.000 1.514 60 K HN -0.062 7.269 8.250 -1.530 0.000 0.373 61 S N -0.424 114.995 115.700 -0.468 0.000 2.722 61 S HA 0.140 4.439 4.470 -0.285 0.000 0.292 61 S C 0.656 175.126 174.600 -0.216 0.000 1.135 61 S CA -0.408 57.628 58.200 -0.273 0.000 1.003 61 S CB 1.276 64.402 63.200 -0.124 0.000 1.067 61 S HN -0.178 7.922 8.310 -0.350 0.000 0.546 62 G N 0.110 108.824 108.800 -0.144 0.000 2.341 62 G HA2 -0.236 3.670 3.960 -0.090 0.000 0.278 62 G HA3 -0.236 3.648 3.960 -0.126 0.000 0.278 62 G C -1.869 172.959 174.900 -0.120 0.000 1.111 62 G CA 0.146 45.174 45.100 -0.120 0.000 0.982 62 G HN 0.313 8.534 8.290 -0.115 0.000 0.502 63 I N -1.239 119.276 120.570 -0.092 0.000 2.377 63 I HA 0.190 4.491 4.170 0.008 -0.126 0.293 63 I C -1.793 174.287 176.117 -0.062 0.000 0.987 63 I CA -1.250 60.028 61.300 -0.037 0.000 1.185 63 I CB 1.511 39.512 38.000 0.002 0.000 1.341 63 I HN -0.557 7.597 8.210 -0.094 0.000 0.455 64 Q N 6.835 126.583 119.800 -0.087 0.000 3.184 64 Q HA 0.540 4.830 4.340 -0.083 0.000 0.236 64 Q C -1.700 174.214 176.000 -0.143 0.000 1.038 64 Q CA -2.019 53.714 55.803 -0.117 0.000 0.857 64 Q CB 4.336 32.971 28.738 -0.172 0.000 1.957 64 Q HN 0.488 8.708 8.270 -0.082 0.000 0.453 65 R N -2.389 118.059 120.500 -0.088 0.000 3.008 65 R HA 0.398 4.995 4.340 0.158 -0.162 0.284 65 R C -1.310 175.033 176.300 0.072 0.000 1.187 65 R CA 0.024 56.121 56.100 -0.005 0.000 1.139 65 R CB 2.292 32.458 30.300 -0.224 0.000 1.273 65 R HN 0.526 8.727 8.270 -0.116 0.000 0.410 70 E N -0.763 119.531 120.200 0.157 0.000 2.319 70 E HA 0.094 4.515 4.350 0.118 0.000 0.268 70 E C -1.604 175.187 176.600 0.319 0.000 1.050 70 E CA 0.567 57.071 56.400 0.173 0.000 0.878 70 E CB 1.372 31.083 29.700 0.017 0.000 1.066 70 E HN -0.555 7.869 8.360 0.176 0.042 0.406 71 D N 1.196 121.757 120.400 0.268 0.000 3.018 71 D HA 0.051 4.946 4.640 0.424 0.000 0.198 71 D C -1.152 175.349 176.300 0.335 0.000 1.474 71 D CA 1.391 55.578 54.000 0.313 0.000 1.429 71 D CB 2.466 43.355 40.800 0.148 0.000 1.289 71 D HN 0.167 8.632 8.370 0.158 0.000 0.310 72 N N 0.995 119.791 118.700 0.159 0.000 2.437 72 N HA 0.259 5.224 4.740 0.153 -0.133 0.243 72 N C 1.837 177.333 175.510 -0.023 0.000 1.041 72 N CA -1.171 51.937 53.050 0.097 0.000 0.940 72 N CB 0.456 38.983 38.487 0.065 0.000 1.133 72 N HN -0.582 7.868 8.380 0.118 0.000 0.506 73 I N 0.779 121.237 120.570 -0.187 0.000 3.334 73 I HA -0.155 3.972 4.170 -0.309 -0.142 0.282 73 I C -0.643 175.381 176.117 -0.155 0.000 1.313 73 I CA 1.482 62.584 61.300 -0.330 0.000 1.396 73 I CB -0.901 36.690 38.000 -0.682 0.000 1.054 73 I HN 0.214 8.315 8.210 -0.182 0.000 0.495 74 N N -2.218 116.441 118.700 -0.069 0.000 2.205 74 N HA 0.144 4.864 4.740 -0.033 0.000 0.201 74 N C -0.721 174.793 175.510 0.006 0.000 1.128 74 N CA 0.061 53.096 53.050 -0.025 0.000 0.867 74 N CB 2.095 40.578 38.487 -0.007 0.000 0.996 74 N HN -0.133 8.507 8.380 -0.048 -0.289 0.503 75 V N 0.488 120.410 119.914 0.014 0.000 2.656 75 V HA 0.041 4.176 4.120 0.025 0.000 0.307 75 V C -1.373 174.741 176.094 0.032 0.000 1.051 75 V CA -1.135 61.180 62.300 0.025 0.000 0.893 75 V CB 2.857 34.693 31.823 0.022 0.000 0.999 75 V HN -0.861 7.437 8.190 0.004 -0.106 0.426 76 V N 6.959 126.889 119.914 0.026 0.000 2.461 76 V HA -0.164 4.156 4.120 0.017 -0.190 0.275 76 V C -0.043 176.046 176.094 -0.008 0.000 1.047 76 V CA 0.550 62.852 62.300 0.003 0.000 0.955 76 V CB 0.349 32.151 31.823 -0.035 0.000 0.988 76 V HN 0.207 8.411 8.190 0.023 0.000 0.471 77 E N 7.196 127.391 120.200 -0.009 0.000 2.572 77 E HA 0.172 4.520 4.350 -0.004 0.000 0.220 77 E C -0.441 176.150 176.600 -0.015 0.000 0.945 77 E CA -0.543 55.855 56.400 -0.004 0.000 1.070 77 E CB 1.219 30.926 29.700 0.013 0.000 1.090 77 E HN 0.356 9.200 8.360 -0.010 -0.490 0.506 78 G N 0.253 109.034 108.800 -0.033 0.000 2.576 78 G HA2 -0.217 3.705 3.960 -0.063 0.000 0.686 78 G HA3 -0.217 3.726 3.960 -0.029 0.000 0.686 78 G C -1.736 173.145 174.900 -0.032 0.000 1.242 78 G CA -0.656 44.420 45.100 -0.041 0.000 0.819 78 G HN -0.443 8.219 8.290 -0.044 -0.398 0.655 79 N N -3.767 114.909 118.700 -0.040 0.000 2.980 79 N HA -0.288 4.437 4.740 -0.024 0.000 0.219 79 N C -1.047 174.446 175.510 -0.029 0.000 0.883 79 N CA 1.301 54.337 53.050 -0.024 0.000 1.018 79 N CB -0.208 38.279 38.487 0.001 0.000 1.041 79 N HN 0.157 8.506 8.380 -0.052 0.000 0.592 80 E N -1.397 118.762 120.200 -0.068 0.000 2.343 80 E HA 0.277 4.859 4.350 0.018 -0.221 0.269 80 E C -0.088 176.425 176.600 -0.145 0.000 1.047 80 E CA 0.292 56.646 56.400 -0.077 0.000 0.874 80 E CB 0.700 30.302 29.700 -0.164 0.000 1.033 80 E HN -0.218 8.002 8.360 -0.090 0.087 0.409 81 Q N 2.917 122.702 119.800 -0.025 0.000 2.292 81 Q HA 0.319 4.587 4.340 -0.119 0.000 0.270 81 Q C -1.657 174.463 176.000 0.200 0.000 1.024 81 Q CA -1.202 54.593 55.803 -0.013 0.000 0.768 81 Q CB 3.572 32.322 28.738 0.021 0.000 1.250 81 Q HN 0.280 8.606 8.270 0.095 0.000 0.447 82 F N 3.649 123.579 119.950 -0.034 0.000 2.411 82 F HA 0.347 5.025 4.527 -0.048 -0.180 0.352 82 F C -0.012 175.764 175.800 -0.040 0.000 1.123 82 F CA -3.146 54.828 58.000 -0.043 0.000 1.044 82 F CB 0.572 39.545 39.000 -0.045 0.000 1.135 82 F HN 0.316 8.624 8.300 0.013 0.000 0.461 83 I N 4.074 124.721 120.570 0.129 0.000 2.533 83 I HA 0.248 4.447 4.170 0.048 0.000 0.290 83 I C -1.229 174.887 176.117 -0.001 0.000 1.056 83 I CA -1.355 59.972 61.300 0.045 0.000 1.057 83 I CB 3.921 41.933 38.000 0.019 0.000 1.240 83 I HN 0.726 8.998 8.210 0.104 0.000 0.423 84 S N 5.819 121.510 115.700 -0.015 0.000 2.592 84 S HA 0.085 4.641 4.470 -0.047 -0.114 0.271 84 S C -0.381 174.184 174.600 -0.058 0.000 1.326 84 S CA 0.741 58.917 58.200 -0.039 0.000 1.024 84 S CB 0.980 64.158 63.200 -0.036 0.000 0.921 84 S HN 0.421 8.728 8.310 -0.006 0.000 0.527 85 A N 2.932 125.714 122.820 -0.064 0.000 2.409 85 A HA 0.139 4.499 4.320 -0.098 -0.099 0.262 85 A C -0.517 177.019 177.584 -0.081 0.000 1.113 85 A CA -0.199 51.791 52.037 -0.078 0.000 0.790 85 A CB 0.487 19.452 19.000 -0.058 0.000 1.046 85 A HN -0.216 7.898 8.150 -0.059 0.000 0.496 86 S N 3.968 119.599 115.700 -0.115 0.000 2.387 86 S HA 0.003 4.431 4.470 -0.071 0.000 0.221 86 S C 0.438 174.998 174.600 -0.067 0.000 1.041 86 S CA 1.370 59.512 58.200 -0.097 0.000 0.959 86 S CB 0.831 63.948 63.200 -0.138 0.000 0.843 86 S HN 0.785 8.881 8.310 -0.163 0.117 0.488 87 K N -0.054 120.299 120.400 -0.078 0.000 2.536 87 K HA 0.283 4.622 4.320 0.032 0.000 0.269 87 K C -2.281 174.349 176.600 0.050 0.000 0.965 87 K CA -0.852 55.437 56.287 0.004 0.000 0.860 87 K CB 3.523 36.037 32.500 0.023 0.000 1.423 87 K HN -0.783 7.380 8.250 -0.144 0.000 0.438 88 S N 1.082 116.868 115.700 0.143 0.000 2.502 88 S HA 0.655 5.402 4.470 0.182 -0.167 0.304 88 S C -0.828 173.906 174.600 0.223 0.000 1.097 88 S CA -0.414 57.915 58.200 0.215 0.000 1.045 88 S CB 2.456 65.854 63.200 0.330 0.000 1.019 88 S HN 0.177 8.585 8.310 0.163 0.000 0.481 89 I N 7.852 128.560 120.570 0.230 0.000 2.405 89 I HA 0.100 4.364 4.170 0.157 0.000 0.280 89 I C -1.525 174.734 176.117 0.236 0.000 1.027 89 I CA -0.838 60.591 61.300 0.214 0.000 1.161 89 I CB 1.157 39.296 38.000 0.232 0.000 1.300 89 I HN 0.987 9.351 8.210 0.257 0.000 0.463 90 V N 7.842 127.828 119.914 0.120 0.000 2.649 90 V HA -0.165 3.997 4.120 0.070 0.000 0.292 90 V C -0.275 175.892 176.094 0.122 0.000 1.055 90 V CA -0.538 61.797 62.300 0.059 0.000 1.023 90 V CB 0.920 32.685 31.823 -0.097 0.000 0.992 90 V HN 0.333 8.551 8.190 0.046 0.000 0.480 91 H N 8.529 127.565 119.070 -0.057 0.000 3.034 91 H HA -0.041 4.322 4.556 -0.322 0.000 0.324 91 H C -0.435 174.857 175.328 -0.061 0.000 1.015 91 H CA 0.554 56.450 56.048 -0.254 0.000 1.429 91 H CB 1.501 30.957 29.762 -0.510 0.000 1.429 91 H HN -0.159 8.148 8.280 0.045 0.000 0.585 92 P HA -0.105 4.332 4.420 0.028 0.000 0.218 92 P C -0.375 176.987 177.300 0.104 0.000 1.148 92 P CA 1.475 64.567 63.100 -0.013 0.000 0.822 92 P CB 0.371 32.036 31.700 -0.059 0.000 0.784 93 S N -3.679 112.195 115.700 0.291 0.000 2.622 93 S HA 0.032 4.560 4.470 0.096 0.000 0.236 93 S C -0.608 174.077 174.600 0.141 0.000 0.956 93 S CA 0.044 58.362 58.200 0.197 0.000 0.971 93 S CB 0.351 63.658 63.200 0.179 0.000 0.782 93 S HN -0.386 8.255 8.310 0.601 0.030 0.468 94 Y N 3.602 123.936 120.300 0.057 0.000 2.526 94 Y HA -0.270 4.438 4.550 -0.068 -0.199 0.330 94 Y C -0.959 174.927 175.900 -0.022 0.000 1.156 94 Y CA 0.660 58.748 58.100 -0.020 0.000 1.419 94 Y CB 0.877 39.332 38.460 -0.009 0.000 1.250 94 Y HN -0.797 7.585 8.280 0.311 0.084 0.540 95 N N 7.312 125.620 118.700 -0.653 0.000 2.479 95 N HA 0.212 4.665 4.740 -0.477 0.000 0.261 95 N C -0.201 174.792 175.510 -0.862 0.000 0.979 95 N CA -1.325 51.377 53.050 -0.580 0.000 0.930 95 N CB 1.843 40.158 38.487 -0.288 0.000 1.172 95 N HN -0.257 7.850 8.380 -0.455 0.000 0.499 96 S N 6.890 122.096 115.700 -0.824 0.000 2.515 96 S HA -0.078 4.050 4.470 -0.570 0.000 0.231 96 S C 0.645 175.080 174.600 -0.275 0.000 0.987 96 S CA 2.237 60.130 58.200 -0.512 0.000 0.936 96 S CB -0.248 62.817 63.200 -0.224 0.000 0.766 96 S HN 0.622 8.545 8.310 -0.644 0.000 0.528 97 N N 1.777 120.316 118.700 -0.268 0.000 2.402 97 N HA 0.064 4.688 4.740 -0.193 0.000 0.174 97 N C 0.872 176.231 175.510 -0.250 0.000 1.027 97 N CA 2.129 55.051 53.050 -0.213 0.000 0.891 97 N CB 0.739 39.126 38.487 -0.166 0.000 1.016 97 N HN 0.370 8.839 8.380 -0.301 -0.270 0.439 98 T N -3.721 110.682 114.554 -0.253 0.000 2.990 98 T HA 0.087 4.249 4.350 -0.313 0.000 0.250 98 T C 0.093 174.622 174.700 -0.286 0.000 1.041 98 T CA -0.215 61.728 62.100 -0.261 0.000 1.010 98 T CB 1.654 70.421 68.868 -0.168 0.000 1.003 98 T HN -0.570 7.733 8.240 -0.255 -0.215 0.499 99 L N -3.315 117.778 121.223 -0.216 0.000 4.140 99 L HA -0.497 3.982 4.340 0.102 -0.079 0.406 99 L C -1.922 174.995 176.870 0.078 0.000 1.175 99 L CA 0.345 55.170 54.840 -0.026 0.000 0.939 99 L CB -2.512 39.484 42.059 -0.105 0.000 2.105 99 L HN -0.272 7.804 8.230 -0.257 0.000 0.803 100 N N -1.035 117.665 118.700 -0.000 0.000 2.530 100 N HA -0.142 4.652 4.740 0.089 0.000 0.273 100 N C 0.046 175.599 175.510 0.072 0.000 1.173 100 N CA 0.554 53.630 53.050 0.043 0.000 0.967 100 N CB 1.298 39.781 38.487 -0.007 0.000 1.109 100 N HN -0.785 7.500 8.380 -0.095 0.039 0.453 101 N N -1.102 117.625 118.700 0.046 0.000 2.758 101 N HA -0.468 4.160 4.740 -0.186 0.000 0.248 101 N C -1.434 174.028 175.510 -0.080 0.000 1.076 101 N CA 1.361 54.322 53.050 -0.148 0.000 0.696 101 N CB -1.566 36.715 38.487 -0.344 0.000 0.979 101 N HN 0.600 9.035 8.380 0.092 0.000 0.550 102 D N -1.028 119.374 120.400 0.004 0.000 2.608 102 D HA 0.035 4.630 4.640 -0.076 0.000 0.224 102 D C -1.693 174.496 176.300 -0.186 0.000 1.123 102 D CA -0.345 53.644 54.000 -0.017 0.000 1.030 102 D CB -0.793 40.102 40.800 0.160 0.000 1.093 102 D HN -0.094 8.298 8.370 0.036 0.000 0.497 103 I N 1.675 122.075 120.570 -0.283 0.000 2.802 103 I HA 0.584 4.830 4.170 -0.145 -0.163 0.298 103 I C -3.060 173.007 176.117 -0.083 0.000 1.176 103 I CA -1.576 59.593 61.300 -0.218 0.000 1.025 103 I CB 4.168 41.909 38.000 -0.430 0.000 1.243 103 I HN -0.109 7.881 8.210 -0.296 0.043 0.424 104 M N 6.873 126.496 119.600 0.038 0.000 2.433 104 M HA 0.691 5.482 4.480 0.220 -0.179 0.290 104 M C -2.778 173.647 176.300 0.210 0.000 1.173 104 M CA -1.076 54.310 55.300 0.143 0.000 0.905 104 M CB 4.730 37.370 32.600 0.066 0.000 1.692 104 M HN 0.354 8.662 8.290 0.030 0.000 0.462 105 L N 3.523 124.911 121.223 0.275 0.000 2.334 105 L HA 0.867 5.542 4.340 0.263 -0.177 0.276 105 L C -1.270 175.793 176.870 0.321 0.000 1.014 105 L CA -1.549 53.469 54.840 0.298 0.000 0.815 105 L CB 3.232 45.442 42.059 0.252 0.000 1.268 105 L HN 0.316 8.733 8.230 0.312 0.000 0.428 106 I N 0.768 121.509 120.570 0.285 0.000 2.465 106 I HA 0.615 5.031 4.170 0.110 -0.180 0.291 106 I C -1.616 174.452 176.117 -0.081 0.000 1.014 106 I CA -1.440 59.926 61.300 0.110 0.000 1.093 106 I CB 3.276 41.310 38.000 0.057 0.000 1.267 106 I HN 0.530 8.930 8.210 0.317 0.000 0.431 107 K N 6.125 126.288 120.400 -0.394 0.000 2.130 107 K HA 0.611 4.224 4.320 -1.410 -0.139 0.268 107 K C -1.133 175.175 176.600 -0.487 0.000 0.983 107 K CA -1.808 53.884 56.287 -0.993 0.000 0.893 107 K CB 3.083 34.845 32.500 -1.229 0.000 1.066 107 K HN 0.687 8.793 8.250 -0.239 0.000 0.450 108 L N 3.719 124.685 121.223 -0.429 0.000 2.399 108 L HA 0.255 4.597 4.340 -0.170 -0.105 0.266 108 L C 1.763 178.514 176.870 -0.198 0.000 1.114 108 L CA -0.291 54.415 54.840 -0.224 0.000 0.804 108 L CB 0.592 42.560 42.059 -0.151 0.000 1.146 108 L HN 0.797 8.589 8.230 -0.561 0.102 0.451 109 K N 3.045 123.369 120.400 -0.125 0.000 2.097 109 K HA -0.315 3.942 4.320 -0.105 0.000 0.206 109 K C -0.583 175.968 176.600 -0.082 0.000 1.049 109 K CA 2.593 58.823 56.287 -0.094 0.000 0.933 109 K CB 0.385 32.848 32.500 -0.061 0.000 0.717 109 K HN 0.643 8.832 8.250 -0.102 0.000 0.442 110 S N -3.924 111.734 115.700 -0.070 0.000 2.595 110 S HA 0.130 4.568 4.470 -0.053 0.000 0.281 110 S C -1.645 172.925 174.600 -0.051 0.000 1.117 110 S CA -1.104 57.066 58.200 -0.051 0.000 0.873 110 S CB 2.749 65.931 63.200 -0.030 0.000 1.108 110 S HN -0.365 7.905 8.310 -0.067 0.000 0.477 111 A N -0.290 122.509 122.820 -0.036 0.000 2.425 111 A HA 0.083 4.533 4.320 -0.036 -0.152 0.242 111 A C -0.307 177.273 177.584 -0.007 0.000 1.077 111 A CA -0.034 51.990 52.037 -0.022 0.000 0.781 111 A CB 0.582 19.580 19.000 -0.003 0.000 1.020 111 A HN 0.202 8.334 8.150 -0.030 0.000 0.494 112 A N 0.094 122.917 122.820 0.005 0.000 2.304 112 A HA 0.194 4.584 4.320 0.011 -0.064 0.271 112 A C -0.598 176.997 177.584 0.018 0.000 1.091 112 A CA -1.309 50.737 52.037 0.015 0.000 0.812 112 A CB 1.468 20.486 19.000 0.030 0.000 1.056 112 A HN 0.333 8.374 8.150 0.009 0.114 0.489 113 S N 0.068 115.777 115.700 0.015 0.000 2.430 113 S HA 0.103 4.582 4.470 0.014 0.000 0.289 113 S C -0.540 174.073 174.600 0.022 0.000 1.143 113 S CA -0.682 57.526 58.200 0.014 0.000 1.067 113 S CB 0.482 63.685 63.200 0.005 0.000 0.964 113 S HN 0.063 8.735 8.310 0.012 -0.355 0.485 114 L N 4.847 126.087 121.223 0.027 0.000 2.375 114 L HA 0.087 4.568 4.340 0.039 -0.118 0.271 114 L C -0.250 176.637 176.870 0.028 0.000 1.107 114 L CA -0.396 54.465 54.840 0.035 0.000 0.806 114 L CB 0.771 42.855 42.059 0.042 0.000 1.146 114 L HN 0.130 8.375 8.230 0.026 0.000 0.447 115 N N 1.834 120.552 118.700 0.030 0.000 3.588 115 N HA 0.127 4.880 4.740 0.023 0.000 0.340 115 N C -1.776 173.751 175.510 0.029 0.000 1.609 115 N CA -0.419 52.645 53.050 0.024 0.000 0.811 115 N CB 0.978 39.475 38.487 0.017 0.000 2.184 115 N HN 0.492 8.894 8.380 0.036 0.000 0.577 116 S N -3.432 112.283 115.700 0.024 0.000 2.489 116 S HA -0.130 4.360 4.470 0.033 0.000 0.228 116 S C 0.670 175.285 174.600 0.025 0.000 0.995 116 S CA 2.041 60.257 58.200 0.027 0.000 0.934 116 S CB 0.111 63.324 63.200 0.021 0.000 0.771 116 S HN 0.065 8.386 8.310 0.019 0.000 0.522 117 R N -1.209 119.304 120.500 0.022 0.000 2.223 117 R HA 0.151 4.499 4.340 0.012 0.000 0.198 117 R C -1.157 175.157 176.300 0.023 0.000 0.984 117 R CA 0.053 56.163 56.100 0.018 0.000 1.018 117 R CB 1.022 31.331 30.300 0.016 0.000 0.945 117 R HN 0.004 8.568 8.270 0.021 -0.282 0.479 118 V N -1.481 118.453 119.914 0.033 0.000 2.409 118 V HA 0.274 4.608 4.120 0.046 -0.187 0.290 118 V C -2.164 173.966 176.094 0.061 0.000 1.017 118 V CA -1.057 61.271 62.300 0.047 0.000 0.841 118 V CB 2.404 34.253 31.823 0.044 0.000 1.003 118 V HN -0.512 7.890 8.190 0.032 -0.192 0.426 119 A N 6.547 129.420 122.820 0.088 0.000 2.556 119 A HA 0.482 4.853 4.320 0.085 0.000 0.294 119 A C -2.671 175.005 177.584 0.154 0.000 1.091 119 A CA -1.145 50.956 52.037 0.107 0.000 0.704 119 A CB 3.359 22.423 19.000 0.108 0.000 1.300 119 A HN 0.150 8.239 8.150 0.093 0.117 0.406 120 S N -1.463 114.314 115.700 0.128 0.000 2.669 120 S HA 0.606 5.334 4.470 0.165 -0.158 0.270 120 S C -0.516 174.145 174.600 0.101 0.000 1.225 120 S CA -1.145 57.133 58.200 0.129 0.000 0.991 120 S CB 1.625 64.880 63.200 0.091 0.000 0.987 120 S HN 0.010 8.379 8.310 0.099 0.000 0.552 121 I N 0.326 120.910 120.570 0.023 0.000 2.603 121 I HA 0.233 4.344 4.170 -0.098 0.000 0.300 121 I C -1.184 174.886 176.117 -0.077 0.000 1.017 121 I CA -1.614 59.607 61.300 -0.132 0.000 1.098 121 I CB 4.150 41.845 38.000 -0.507 0.000 1.279 121 I HN -0.094 8.141 8.210 0.040 0.000 0.437 122 S N 6.206 121.860 115.700 -0.077 0.000 2.601 122 S HA 0.223 4.679 4.470 -0.023 0.000 0.271 122 S C -0.576 173.999 174.600 -0.042 0.000 1.305 122 S CA -0.219 57.955 58.200 -0.043 0.000 1.022 122 S CB 0.749 63.929 63.200 -0.034 0.000 0.940 122 S HN 0.266 8.518 8.310 -0.096 0.000 0.525 123 L N 2.353 123.565 121.223 -0.019 0.000 2.439 123 L HA 0.155 4.494 4.340 -0.001 0.000 0.261 123 L C -1.316 175.550 176.870 -0.006 0.000 1.153 123 L CA -2.034 52.805 54.840 -0.002 0.000 0.808 123 L CB 0.116 42.183 42.059 0.014 0.000 1.126 123 L HN 0.179 8.401 8.230 -0.014 0.000 0.460 124 P HA 0.154 4.563 4.420 -0.019 0.000 0.278 124 P C -1.294 176.004 177.300 -0.003 0.000 1.258 124 P CA -0.839 62.257 63.100 -0.008 0.000 0.811 124 P CB 0.941 32.634 31.700 -0.011 0.000 1.063 128 c N 0.591 119.164 118.600 -0.044 0.000 2.580 128 c HA 0.068 4.600 4.570 -0.064 0.000 0.371 128 c C -0.093 173.936 174.090 -0.101 0.000 1.308 128 c CA -0.544 55.744 56.329 -0.068 0.000 2.428 128 c CB 0.486 42.961 42.510 -0.057 0.000 2.529 128 c HN -0.031 8.176 8.230 -0.039 0.000 0.657 129 A N 0.387 123.109 122.820 -0.163 0.000 2.282 129 A HA 0.120 4.364 4.320 -0.127 0.000 0.319 129 A C -1.074 176.404 177.584 -0.176 0.000 1.121 129 A CA -0.482 51.450 52.037 -0.176 0.000 0.836 129 A CB 1.460 20.316 19.000 -0.240 0.000 1.146 129 A HN 0.219 8.242 8.150 -0.211 0.000 0.494 133 G N 0.986 109.741 108.800 -0.075 0.000 2.299 133 G HA2 -0.294 3.629 3.960 -0.062 0.000 0.237 133 G HA3 -0.294 3.634 3.960 -0.052 0.000 0.237 133 G C 0.202 175.059 174.900 -0.072 0.000 1.027 133 G CA 0.040 45.102 45.100 -0.064 0.000 0.619 133 G HN 0.771 8.909 8.290 -0.080 0.104 0.513 134 T N 4.098 118.597 114.554 -0.091 0.000 2.928 134 T HA -0.177 4.131 4.350 -0.069 0.000 0.305 134 T C -0.865 173.784 174.700 -0.086 0.000 1.035 134 T CA 2.337 64.383 62.100 -0.090 0.000 1.145 134 T CB 0.759 69.555 68.868 -0.121 0.000 0.963 134 T HN -0.412 7.677 8.240 -0.106 0.087 0.545 135 Q N 5.567 125.333 119.800 -0.057 0.000 2.261 135 Q HA 0.172 4.600 4.340 -0.050 -0.118 0.252 135 Q C -0.866 175.112 176.000 -0.036 0.000 0.915 135 Q CA 0.411 56.191 55.803 -0.038 0.000 0.915 135 Q CB 1.483 30.217 28.738 -0.008 0.000 1.204 135 Q HN 0.184 8.425 8.270 -0.048 0.000 0.421 136 c N 2.902 121.483 118.600 -0.031 0.000 2.971 136 c HA 0.495 5.154 4.570 -0.020 -0.101 0.310 136 c C -1.890 172.207 174.090 0.011 0.000 1.285 136 c CA -1.424 54.890 56.329 -0.025 0.000 1.593 136 c CB 4.274 46.747 42.510 -0.061 0.000 2.076 136 c HN 0.872 8.972 8.230 -0.030 0.112 0.472 137 L N 1.070 122.309 121.223 0.027 0.000 2.313 137 L HA 0.874 5.432 4.340 0.060 -0.182 0.283 137 L C -2.140 174.751 176.870 0.035 0.000 1.013 137 L CA -1.328 53.542 54.840 0.051 0.000 0.816 137 L CB 3.024 45.134 42.059 0.085 0.000 1.236 137 L HN 0.646 8.781 8.230 0.020 0.107 0.419 138 I N 7.513 128.090 120.570 0.012 0.000 2.441 138 I HA 0.838 5.254 4.170 0.032 -0.226 0.295 138 I C -1.292 174.802 176.117 -0.039 0.000 0.994 138 I CA -1.507 59.800 61.300 0.011 0.000 1.144 138 I CB 2.483 40.498 38.000 0.026 0.000 1.314 138 I HN 1.026 9.244 8.210 0.013 0.000 0.445 139 S N 2.365 118.031 115.700 -0.056 0.000 2.627 139 S HA 1.069 5.580 4.470 -0.223 -0.175 0.283 139 S C -1.091 173.386 174.600 -0.205 0.000 1.127 139 S CA -1.876 56.212 58.200 -0.186 0.000 0.863 139 S CB 3.751 66.806 63.200 -0.241 0.000 1.121 139 S HN -0.210 8.099 8.310 -0.002 0.000 0.479 140 G N -1.335 107.247 108.800 -0.363 0.000 2.321 140 G HA2 0.141 3.854 3.960 -0.411 0.000 0.298 140 G HA3 0.141 4.223 3.960 -0.066 -0.162 0.298 140 G C -2.361 172.322 174.900 -0.361 0.000 1.385 140 G CA 0.528 45.444 45.100 -0.305 0.000 0.856 140 G HN 0.148 8.161 8.290 -0.462 0.000 0.584 141 W N 0.904 122.172 121.300 -0.053 0.000 3.015 141 W HA 0.369 4.997 4.660 -0.053 0.000 0.429 141 W C -0.319 176.264 176.519 0.108 0.000 0.976 141 W CA -1.046 56.244 57.345 -0.092 0.000 2.086 141 W CB 0.240 29.444 29.460 -0.427 0.000 1.125 141 W HN 0.601 8.937 8.180 0.260 0.000 0.721 142 G N 0.715 109.708 108.800 0.322 0.000 2.588 142 G HA2 -0.015 4.302 3.960 0.585 0.000 0.281 142 G HA3 -0.015 4.312 3.960 0.318 -0.176 0.281 142 G C -1.033 174.041 174.900 0.289 0.000 1.236 142 G CA -0.891 44.451 45.100 0.402 0.000 0.969 142 G HN -0.531 8.011 8.290 0.198 -0.134 0.504 143 N N -0.355 118.452 118.700 0.179 0.000 2.293 143 N HA -0.321 4.179 4.740 -0.698 -0.179 0.253 143 N C 0.865 176.301 175.510 -0.123 0.000 1.248 143 N CA 1.088 53.961 53.050 -0.294 0.000 0.845 143 N CB 0.625 38.906 38.487 -0.344 0.000 1.073 143 N HN 0.242 8.858 8.380 0.392 0.000 0.464 144 T N 0.811 115.275 114.554 -0.149 0.000 3.054 144 T HA 0.205 4.673 4.350 -0.042 -0.143 0.255 144 T C 0.214 174.872 174.700 -0.069 0.000 1.035 144 T CA 0.298 62.355 62.100 -0.071 0.000 0.941 144 T CB 1.135 69.975 68.868 -0.048 0.000 1.026 144 T HN 0.294 8.394 8.240 -0.233 0.000 0.533 145 K N 1.992 122.334 120.400 -0.096 0.000 2.259 145 K HA 0.260 4.555 4.320 -0.042 0.000 0.249 145 K C -0.608 175.966 176.600 -0.043 0.000 0.942 145 K CA -1.120 55.130 56.287 -0.063 0.000 0.816 145 K CB 2.632 35.089 32.500 -0.072 0.000 1.155 145 K HN -0.577 7.822 8.250 -0.151 -0.240 0.428 146 S N -0.259 115.430 115.700 -0.019 0.000 2.503 146 S HA -0.079 4.393 4.470 0.004 0.000 0.217 146 S C -0.145 174.456 174.600 0.001 0.000 0.999 146 S CA 1.085 59.285 58.200 -0.000 0.000 0.914 146 S CB 1.090 64.296 63.200 0.010 0.000 0.782 146 S HN 0.111 8.411 8.310 -0.017 0.000 0.520 147 S N 0.702 116.398 115.700 -0.007 0.000 2.399 147 S HA 0.191 4.665 4.470 0.006 0.000 0.215 147 S C -0.867 173.727 174.600 -0.010 0.000 1.456 147 S CA -0.159 58.040 58.200 -0.001 0.000 1.199 147 S CB 0.220 63.422 63.200 0.002 0.000 1.063 147 S HN -0.497 7.769 8.310 -0.014 0.035 0.476 148 G N 1.600 110.393 108.800 -0.012 0.000 2.440 148 G HA2 -0.208 3.752 3.960 0.000 0.000 0.684 148 G HA3 -0.208 3.741 3.960 -0.018 0.000 0.684 148 G C -2.593 172.272 174.900 -0.058 0.000 1.309 148 G CA -0.822 44.267 45.100 -0.018 0.000 0.931 148 G HN -0.262 8.025 8.290 -0.006 0.000 0.612 149 T N -2.930 111.588 114.554 -0.060 0.000 2.758 149 T HA 0.080 4.376 4.350 -0.339 -0.150 0.285 149 T C -1.217 173.348 174.700 -0.225 0.000 0.981 149 T CA -1.254 60.733 62.100 -0.189 0.000 0.965 149 T CB 1.400 70.294 68.868 0.044 0.000 0.927 149 T HN -0.164 8.068 8.240 -0.013 0.000 0.448 150 S N 4.958 120.417 115.700 -0.401 0.000 2.789 150 S HA 0.232 4.665 4.470 -0.061 0.000 0.286 150 S C -2.098 172.313 174.600 -0.316 0.000 1.153 150 S CA -0.563 57.521 58.200 -0.192 0.000 1.084 150 S CB 1.133 64.268 63.200 -0.108 0.000 1.036 150 S HN 0.762 9.138 8.310 -0.593 -0.421 0.484 151 Y N 5.707 126.048 120.300 0.068 0.000 2.342 151 Y HA 0.234 4.843 4.550 0.099 0.000 0.334 151 Y C -0.867 175.085 175.900 0.087 0.000 1.067 151 Y CA -2.776 55.380 58.100 0.092 0.000 1.128 151 Y CB 1.238 39.764 38.460 0.111 0.000 1.200 151 Y HN 0.133 8.538 8.280 0.208 0.000 0.464 152 P HA 0.290 4.790 4.420 0.133 0.000 0.280 152 P C -1.633 175.794 177.300 0.211 0.000 1.272 152 P CA -1.127 62.079 63.100 0.177 0.000 0.819 152 P CB 2.027 33.807 31.700 0.132 0.000 1.122 153 D N -2.649 117.852 120.400 0.167 0.000 2.262 153 D HA -0.020 4.682 4.640 0.103 0.000 0.212 153 D C -0.731 175.713 176.300 0.240 0.000 0.964 153 D CA 1.762 55.848 54.000 0.142 0.000 0.875 153 D CB 0.916 41.770 40.800 0.091 0.000 0.996 153 D HN 0.380 8.831 8.370 0.135 0.000 0.497 154 V N -7.283 112.772 119.914 0.236 0.000 2.850 154 V HA 0.780 5.449 4.120 0.421 -0.297 0.315 154 V C -0.395 175.777 176.094 0.130 0.000 1.064 154 V CA -2.620 59.841 62.300 0.268 0.000 0.979 154 V CB 2.110 34.008 31.823 0.126 0.000 1.039 154 V HN -0.956 7.333 8.190 0.164 0.000 0.452 155 L N 2.568 123.746 121.223 -0.075 0.000 2.513 155 L HA -0.092 3.445 4.340 -1.338 0.000 0.272 155 L C -0.582 176.039 176.870 -0.416 0.000 1.187 155 L CA 0.991 55.420 54.840 -0.684 0.000 0.895 155 L CB 0.295 41.928 42.059 -0.711 0.000 1.147 155 L HN -0.185 8.297 8.230 0.151 -0.161 0.483 156 K N 5.869 126.003 120.400 -0.442 0.000 2.208 156 K HA 0.692 4.977 4.320 -0.318 -0.156 0.247 156 K C -1.176 175.173 176.600 -0.419 0.000 0.953 156 K CA -2.507 53.575 56.287 -0.342 0.000 0.837 156 K CB 2.669 35.033 32.500 -0.226 0.000 1.131 156 K HN -0.113 7.804 8.250 -0.556 0.000 0.431 157 c N -0.811 117.437 118.600 -0.587 0.000 2.614 157 c HA 0.924 5.423 4.570 -0.397 -0.167 0.320 157 c C -1.747 171.975 174.090 -0.614 0.000 1.200 157 c CA -0.730 55.203 56.329 -0.661 0.000 1.700 157 c CB 3.458 45.417 42.510 -0.918 0.000 2.275 157 c HN 0.747 8.453 8.230 -0.696 0.106 0.492 158 L N 0.256 121.330 121.223 -0.249 0.000 2.513 158 L HA 0.376 4.750 4.340 0.056 0.000 0.261 158 L C -2.524 174.410 176.870 0.107 0.000 0.945 158 L CA 0.151 54.988 54.840 -0.006 0.000 0.848 158 L CB 4.510 46.588 42.059 0.031 0.000 1.334 158 L HN 0.780 8.902 8.230 -0.180 0.000 0.407 159 K N 5.901 126.427 120.400 0.211 0.000 2.213 159 K HA 0.813 5.415 4.320 0.129 -0.204 0.270 159 K C -1.067 175.663 176.600 0.217 0.000 1.002 159 K CA -1.399 54.999 56.287 0.184 0.000 0.868 159 K CB 1.026 33.643 32.500 0.195 0.000 1.093 159 K HN 0.361 8.770 8.250 0.265 0.000 0.454 160 A N 4.415 127.299 122.820 0.107 0.000 2.515 160 A HA 0.678 5.006 4.320 0.014 0.000 0.298 160 A C -3.350 174.164 177.584 -0.117 0.000 1.059 160 A CA -2.919 49.116 52.037 -0.003 0.000 0.698 160 A CB 3.131 22.134 19.000 0.005 0.000 1.289 160 A HN 0.975 9.052 8.150 0.054 0.105 0.404 161 P HA 0.749 5.325 4.420 -0.116 -0.225 0.282 161 P C -1.018 176.200 177.300 -0.136 0.000 1.259 161 P CA -1.455 61.547 63.100 -0.164 0.000 0.826 161 P CB 1.569 33.167 31.700 -0.170 0.000 1.064 162 I N 0.073 120.578 120.570 -0.109 0.000 2.529 162 I HA -0.028 4.274 4.170 0.036 -0.109 0.284 162 I C 0.009 176.100 176.117 -0.043 0.000 1.082 162 I CA 0.490 61.748 61.300 -0.070 0.000 1.406 162 I CB 0.517 38.383 38.000 -0.222 0.000 1.405 162 I HN -0.025 8.111 8.210 -0.122 0.000 0.548 163 L N 6.286 127.523 121.223 0.023 0.000 2.400 163 L HA 0.308 4.633 4.340 -0.026 0.000 0.264 163 L C -0.193 176.688 176.870 0.018 0.000 1.061 163 L CA -1.175 53.669 54.840 0.008 0.000 0.799 163 L CB 0.878 42.953 42.059 0.026 0.000 1.240 163 L HN 0.522 8.705 8.230 0.103 0.109 0.461 164 S N -1.583 114.122 115.700 0.009 0.000 2.593 164 S HA -0.097 4.374 4.470 0.002 0.000 0.269 164 S C 0.389 175.010 174.600 0.034 0.000 1.334 164 S CA -0.846 57.361 58.200 0.011 0.000 1.015 164 S CB 1.683 64.886 63.200 0.004 0.000 0.912 164 S HN 0.005 8.315 8.310 0.001 0.000 0.541 165 D N 1.298 121.719 120.400 0.036 0.000 2.178 165 D HA -0.220 4.464 4.640 0.073 0.000 0.201 165 D C 1.720 178.049 176.300 0.047 0.000 0.980 165 D CA 3.148 57.180 54.000 0.052 0.000 0.842 165 D CB -0.246 40.582 40.800 0.045 0.000 0.948 165 D HN 0.546 8.930 8.370 0.023 0.000 0.472 166 S N -1.086 114.633 115.700 0.032 0.000 2.368 166 S HA -0.306 4.183 4.470 0.032 0.000 0.225 166 S C 2.173 176.790 174.600 0.027 0.000 1.030 166 S CA 3.649 61.866 58.200 0.028 0.000 0.999 166 S CB -0.220 62.990 63.200 0.017 0.000 0.844 166 S HN 0.001 8.325 8.310 0.025 0.000 0.459 167 S N 3.298 119.012 115.700 0.024 0.000 2.383 167 S HA -0.249 4.224 4.470 0.006 0.000 0.227 167 S C 1.870 176.487 174.600 0.028 0.000 1.026 167 S CA 3.752 61.962 58.200 0.016 0.000 0.981 167 S CB -0.186 63.020 63.200 0.011 0.000 0.818 167 S HN -0.548 7.775 8.310 0.022 0.000 0.472 168 c N 3.394 122.030 118.600 0.059 0.000 2.462 168 c HA -0.285 4.354 4.570 0.115 0.000 0.278 168 c C 1.553 175.719 174.090 0.126 0.000 1.253 168 c CA 2.709 59.102 56.329 0.106 0.000 1.713 168 c CB -1.690 40.892 42.510 0.120 0.000 2.049 168 c HN -0.290 7.961 8.230 0.057 0.014 0.477 169 K N -1.200 119.260 120.400 0.101 0.000 2.211 169 K HA -0.270 4.139 4.320 0.148 0.000 0.203 169 K C 2.330 178.972 176.600 0.070 0.000 1.050 169 K CA 2.869 59.218 56.287 0.103 0.000 0.945 169 K CB -0.270 32.278 32.500 0.080 0.000 0.732 169 K HN 0.092 8.392 8.250 0.083 0.000 0.451 170 S N -1.290 114.431 115.700 0.035 0.000 2.414 170 S HA -0.155 4.324 4.470 0.014 0.000 0.227 170 S C 1.221 175.798 174.600 -0.037 0.000 1.022 170 S CA 2.391 60.594 58.200 0.005 0.000 0.958 170 S CB -0.054 63.144 63.200 -0.004 0.000 0.797 170 S HN -0.209 8.007 8.310 0.035 0.115 0.493 171 A N 0.164 122.936 122.820 -0.080 0.000 1.930 171 A HA -0.095 4.077 4.320 -0.248 0.000 0.215 171 A C -0.074 177.259 177.584 -0.420 0.000 1.176 171 A CA 1.994 53.857 52.037 -0.290 0.000 0.632 171 A CB 0.886 19.649 19.000 -0.396 0.000 0.819 171 A HN -0.536 7.476 8.150 -0.031 0.120 0.445 172 Y N -5.026 115.315 120.300 0.068 0.000 2.638 172 Y HA 0.460 5.088 4.550 0.131 0.000 0.367 172 Y C -2.328 173.637 175.900 0.108 0.000 1.001 172 Y CA -3.450 54.726 58.100 0.127 0.000 1.133 172 Y CB -0.204 38.382 38.460 0.211 0.000 1.199 172 Y HN -0.415 7.927 8.280 0.104 0.000 0.642 173 P HA -0.109 4.504 4.420 0.107 -0.129 0.262 173 P C 0.963 178.335 177.300 0.120 0.000 1.182 173 P CA 1.087 64.255 63.100 0.113 0.000 0.761 173 P CB 0.082 31.821 31.700 0.065 0.000 0.795 174 G N 3.964 112.824 108.800 0.101 0.000 2.175 174 G HA2 -0.369 3.630 3.960 0.064 0.000 0.265 174 G HA3 -0.369 3.627 3.960 0.059 0.000 0.265 174 G C 0.105 175.060 174.900 0.091 0.000 0.979 174 G CA 0.742 45.888 45.100 0.077 0.000 0.663 174 G HN 0.575 8.922 8.290 0.095 0.000 0.533 175 Q N -2.311 117.582 119.800 0.154 0.000 2.189 175 Q HA 0.095 4.470 4.340 0.059 0.000 0.223 175 Q C -0.596 175.538 176.000 0.225 0.000 0.828 175 Q CA -0.464 55.431 55.803 0.154 0.000 0.967 175 Q CB 1.354 30.220 28.738 0.214 0.000 1.139 175 Q HN -0.289 8.042 8.270 0.201 0.059 0.497 176 I N 0.425 121.122 120.570 0.211 0.000 2.315 176 I HA 0.054 4.372 4.170 0.247 0.000 0.291 176 I C -0.378 175.817 176.117 0.130 0.000 1.006 176 I CA -2.127 59.289 61.300 0.194 0.000 1.265 176 I CB -0.725 37.379 38.000 0.174 0.000 1.387 176 I HN -0.430 7.891 8.210 0.185 0.000 0.475 177 T N 2.561 117.188 114.554 0.121 0.000 2.910 177 T HA 0.357 4.747 4.350 0.067 0.000 0.279 177 T C 0.704 175.453 174.700 0.082 0.000 0.989 177 T CA -2.078 60.072 62.100 0.082 0.000 0.968 177 T CB 2.129 71.037 68.868 0.067 0.000 1.135 177 T HN -0.413 7.916 8.240 0.149 0.000 0.562 178 S N -2.412 113.322 115.700 0.057 0.000 2.607 178 S HA -0.147 4.362 4.470 0.065 0.000 0.224 178 S C -0.134 174.504 174.600 0.062 0.000 0.969 178 S CA 1.442 59.673 58.200 0.052 0.000 0.927 178 S CB -0.200 63.012 63.200 0.021 0.000 0.772 178 S HN 0.228 8.563 8.310 0.041 0.000 0.533 179 N N 0.350 119.101 118.700 0.085 0.000 2.238 179 N HA 0.134 4.935 4.740 0.102 0.000 0.222 179 N C -1.851 173.771 175.510 0.187 0.000 1.133 179 N CA -0.401 52.729 53.050 0.134 0.000 0.854 179 N CB 0.945 39.536 38.487 0.175 0.000 1.041 179 N HN -0.621 7.718 8.380 0.086 0.093 0.510 180 M N -1.014 118.681 119.600 0.159 0.000 2.572 180 M HA 0.828 5.571 4.480 0.075 -0.219 0.299 180 M C -2.372 174.030 176.300 0.170 0.000 1.205 180 M CA -0.405 54.963 55.300 0.114 0.000 0.876 180 M CB 5.027 37.677 32.600 0.083 0.000 1.728 180 M HN -0.789 7.502 8.290 0.143 0.084 0.458 181 F N -5.298 114.694 119.950 0.069 0.000 2.626 181 F HA 0.617 5.171 4.527 0.044 0.000 0.311 181 F C -2.650 173.197 175.800 0.077 0.000 1.088 181 F CA -1.843 56.193 58.000 0.059 0.000 0.949 181 F CB 2.558 41.587 39.000 0.050 0.000 1.322 181 F HN 0.122 8.270 8.300 -0.254 0.000 0.461 182 c N 0.170 118.943 118.600 0.288 0.000 2.366 182 c HA 0.957 5.777 4.570 0.090 -0.197 0.345 182 c C -1.017 173.268 174.090 0.325 0.000 1.209 182 c CA -0.877 55.570 56.329 0.196 0.000 2.050 182 c CB 2.433 45.024 42.510 0.134 0.000 2.359 182 c HN 0.877 9.297 8.230 0.317 0.000 0.527 183 A N 3.173 126.164 122.820 0.285 0.000 2.446 183 A HA 0.704 5.221 4.320 0.084 -0.146 0.282 183 A C -2.334 175.302 177.584 0.086 0.000 1.102 183 A CA -0.573 51.548 52.037 0.139 0.000 0.737 183 A CB 2.690 21.691 19.000 0.002 0.000 1.212 183 A HN 0.320 8.674 8.150 0.340 0.000 0.434 184 Y N 2.726 123.060 120.300 0.058 0.000 2.367 184 Y HA 0.119 4.690 4.550 0.036 0.000 0.342 184 Y C 0.847 176.765 175.900 0.030 0.000 0.979 184 Y CA -0.490 57.633 58.100 0.039 0.000 1.161 184 Y CB 0.857 39.338 38.460 0.035 0.000 1.155 184 Y HN 0.308 8.751 8.280 0.271 0.000 0.503 185 L N 3.679 124.976 121.223 0.124 0.000 2.362 185 L HA -0.286 4.087 4.340 0.055 0.000 0.219 185 L C 0.992 177.908 176.870 0.077 0.000 1.134 185 L CA 2.096 56.979 54.840 0.071 0.000 0.807 185 L CB -0.382 41.698 42.059 0.035 0.000 0.927 185 L HN 0.538 8.824 8.230 0.093 0.000 0.447 186 E N -2.122 118.143 120.200 0.108 0.000 2.435 186 E HA -0.088 4.290 4.350 0.047 0.000 0.195 186 E C 0.782 177.418 176.600 0.059 0.000 1.029 186 E CA 0.118 56.559 56.400 0.069 0.000 0.865 186 E CB -0.341 29.396 29.700 0.061 0.000 0.833 186 E HN 0.065 8.476 8.360 0.162 0.046 0.510 187 G N 0.912 109.764 108.800 0.087 0.000 3.405 187 G HA2 -0.365 3.644 3.960 0.082 0.000 0.676 187 G HA3 -0.365 3.621 3.960 0.043 0.000 0.676 187 G C -0.831 174.088 174.900 0.031 0.000 1.039 187 G CA -0.198 44.940 45.100 0.063 0.000 0.855 187 G HN -0.478 7.729 8.290 0.136 0.165 0.443 188 K N 1.498 121.888 120.400 -0.017 0.000 7.012 188 K HA -0.600 3.881 4.320 -0.002 -0.163 0.677 188 K C -1.289 175.394 176.600 0.139 0.000 2.516 188 K CA 0.474 56.763 56.287 0.004 0.000 1.841 188 K CB -0.056 32.342 32.500 -0.169 0.000 1.900 188 K HN 0.150 8.410 8.250 0.017 0.000 0.293 189 D N 0.284 120.758 120.400 0.125 0.000 2.804 189 D HA 0.270 5.038 4.640 0.213 0.000 0.309 189 D C -1.995 174.378 176.300 0.122 0.000 1.311 189 D CA -0.532 53.561 54.000 0.155 0.000 0.765 189 D CB 4.112 44.988 40.800 0.126 0.000 1.293 189 D HN 0.280 8.699 8.370 0.082 0.000 0.434 190 S N -1.800 113.984 115.700 0.139 0.000 2.693 190 S HA 0.323 4.852 4.470 0.098 0.000 0.276 190 S C -1.387 173.262 174.600 0.081 0.000 1.192 190 S CA -0.630 57.640 58.200 0.117 0.000 0.994 190 S CB 1.824 65.125 63.200 0.169 0.000 1.012 190 S HN 0.261 8.670 8.310 0.166 0.000 0.550 191 c N -1.402 117.252 118.600 0.089 0.000 3.292 191 c HA 0.358 4.973 4.570 0.076 0.000 0.369 191 c C -1.475 172.699 174.090 0.141 0.000 1.664 191 c CA -0.860 55.524 56.329 0.092 0.000 1.204 191 c CB 2.974 45.525 42.510 0.067 0.000 1.978 191 c HN 0.218 8.809 8.230 0.105 -0.297 0.435 192 Q N 1.786 121.685 119.800 0.166 0.000 2.315 192 Q HA -0.324 4.138 4.340 0.203 0.000 0.289 192 Q C 0.840 177.035 176.000 0.326 0.000 1.044 192 Q CA 2.110 58.052 55.803 0.230 0.000 0.920 192 Q CB 0.551 29.431 28.738 0.236 0.000 1.214 192 Q HN 0.515 8.867 8.270 0.136 0.000 0.392 193 G N 6.349 115.327 108.800 0.296 0.000 2.254 193 G HA2 -0.409 3.696 3.960 0.241 0.000 0.225 193 G HA3 -0.409 3.829 3.960 0.463 0.000 0.225 193 G C 0.690 175.799 174.900 0.349 0.000 1.003 193 G CA 1.025 46.333 45.100 0.346 0.000 0.622 193 G HN 0.875 9.315 8.290 0.250 0.000 0.507 194 D N 1.754 122.312 120.400 0.262 0.000 2.305 194 D HA 0.090 4.867 4.640 0.229 0.000 0.206 194 D C 0.167 176.568 176.300 0.168 0.000 0.974 194 D CA 1.120 55.244 54.000 0.205 0.000 0.871 194 D CB 0.373 41.265 40.800 0.153 0.000 0.947 194 D HN -0.079 8.330 8.370 0.243 0.107 0.516 195 S N -0.866 114.936 115.700 0.170 0.000 2.599 195 S HA -0.525 4.200 4.470 0.157 -0.161 0.303 195 S C 1.226 175.850 174.600 0.039 0.000 1.267 195 S CA 2.823 61.111 58.200 0.147 0.000 1.055 195 S CB -0.067 63.307 63.200 0.289 0.000 0.790 195 S HN -0.403 8.026 8.310 0.198 0.000 0.500 196 G N 4.398 113.202 108.800 0.005 0.000 2.241 196 G HA2 -0.432 3.580 3.960 -0.047 0.000 0.244 196 G HA3 -0.432 3.612 3.960 -0.060 -0.121 0.244 196 G C -0.339 174.592 174.900 0.051 0.000 0.998 196 G CA 0.226 45.314 45.100 -0.021 0.000 0.621 196 G HN 0.825 9.138 8.290 0.038 0.000 0.519 197 G N 0.931 109.787 108.800 0.093 0.000 2.621 197 G HA2 0.380 4.481 3.960 0.120 0.000 0.271 197 G HA3 0.380 4.413 3.960 0.120 0.000 0.271 197 G C -2.671 172.313 174.900 0.140 0.000 1.236 197 G CA -2.004 43.169 45.100 0.120 0.000 0.958 197 G HN -0.360 7.892 8.290 0.100 0.097 0.512 198 P HA 0.340 4.963 4.420 0.132 -0.123 0.282 198 P C -1.611 175.760 177.300 0.119 0.000 1.249 198 P CA -0.882 62.310 63.100 0.154 0.000 0.806 198 P CB 1.602 33.447 31.700 0.242 0.000 0.984 199 V N 2.636 122.599 119.914 0.082 0.000 2.380 199 V HA 0.213 4.470 4.120 -0.004 -0.139 0.286 199 V C -1.374 174.733 176.094 0.021 0.000 1.015 199 V CA -0.390 61.920 62.300 0.018 0.000 0.834 199 V CB 1.604 33.415 31.823 -0.020 0.000 1.009 199 V HN -0.197 8.046 8.190 0.088 0.000 0.428 200 V N 8.144 128.061 119.914 0.005 0.000 2.417 200 V HA 0.636 4.896 4.120 -0.069 -0.182 0.291 200 V C -1.335 174.739 176.094 -0.034 0.000 1.024 200 V CA -1.251 61.022 62.300 -0.045 0.000 0.861 200 V CB 2.887 34.659 31.823 -0.084 0.000 0.985 200 V HN 0.587 8.795 8.190 0.031 0.000 0.436 201 c N 7.687 126.254 118.600 -0.055 0.000 2.396 201 c HA 0.579 5.125 4.570 -0.040 0.000 0.321 201 c C 0.229 174.288 174.090 -0.052 0.000 1.233 201 c CA -1.281 55.014 56.329 -0.057 0.000 1.440 201 c CB 1.966 44.421 42.510 -0.091 0.000 2.110 201 c HN 0.435 8.626 8.230 -0.067 0.000 0.473 202 S N 4.526 120.204 115.700 -0.036 0.000 3.549 202 S HA -0.430 4.029 4.470 -0.018 0.000 0.366 202 S C 0.321 174.902 174.600 -0.031 0.000 1.012 202 S CA 1.099 59.282 58.200 -0.029 0.000 1.141 202 S CB -1.873 61.306 63.200 -0.036 0.000 0.910 202 S HN 1.060 9.353 8.310 -0.028 0.000 0.471 203 G N -5.151 103.628 108.800 -0.034 0.000 2.148 203 G HA2 -0.509 3.423 3.960 -0.047 0.000 0.254 203 G HA3 -0.509 3.433 3.960 -0.030 0.000 0.254 203 G C -1.175 173.677 174.900 -0.080 0.000 0.981 203 G CA 0.326 45.397 45.100 -0.047 0.000 0.670 203 G HN 0.258 8.520 8.290 -0.026 0.012 0.528 210 Q N 1.302 121.121 119.800 0.032 0.000 2.402 210 Q HA 0.210 4.586 4.340 0.061 0.000 0.231 210 Q C -0.239 175.929 176.000 0.279 0.000 0.888 210 Q CA 0.166 56.011 55.803 0.070 0.000 0.938 210 Q CB 2.887 31.584 28.738 -0.067 0.000 1.086 210 Q HN 0.245 8.524 8.270 0.016 0.000 0.543 211 G N -3.047 105.938 108.800 0.307 0.000 2.672 211 G HA2 0.599 5.055 3.960 0.425 0.000 0.292 211 G HA3 0.599 4.833 3.960 0.456 0.000 0.292 211 G C -3.236 171.787 174.900 0.206 0.000 1.375 211 G CA -0.768 44.556 45.100 0.373 0.000 0.890 211 G HN -0.378 8.024 8.290 0.186 0.000 0.476 212 I N -1.065 119.616 120.570 0.185 0.000 2.498 212 I HA 0.596 5.089 4.170 0.157 -0.230 0.290 212 I C -0.392 175.846 176.117 0.201 0.000 1.032 212 I CA -1.505 59.889 61.300 0.155 0.000 1.073 212 I CB 4.302 42.352 38.000 0.085 0.000 1.251 212 I HN -0.394 7.988 8.210 0.157 -0.077 0.426 213 V N 7.234 127.280 119.914 0.220 0.000 2.458 213 V HA -0.210 3.934 4.120 0.041 0.000 0.287 213 V C -1.134 174.972 176.094 0.019 0.000 1.009 213 V CA 2.075 64.445 62.300 0.118 0.000 1.091 213 V CB -1.216 30.699 31.823 0.154 0.000 0.960 213 V HN 0.465 8.665 8.190 0.197 0.108 0.476 214 S N 7.541 123.157 115.700 -0.140 0.000 3.142 214 S HA 0.415 5.085 4.470 0.335 0.000 0.223 214 S C -1.001 173.677 174.600 0.129 0.000 0.939 214 S CA 1.199 59.461 58.200 0.104 0.000 0.826 214 S CB 2.178 65.427 63.200 0.082 0.000 0.823 214 S HN -0.090 7.924 8.310 -0.493 0.000 0.612 215 W N -4.056 117.076 121.300 -0.281 0.000 2.962 215 W HA 0.274 4.813 4.660 -0.202 0.000 0.405 215 W C -2.738 173.607 176.519 -0.290 0.000 1.121 215 W CA -0.629 56.561 57.345 -0.258 0.000 1.164 215 W CB 1.296 30.604 29.460 -0.254 0.000 1.489 215 W HN -0.270 7.582 8.180 -0.547 0.000 0.599 216 G N -3.287 105.580 108.800 0.111 0.000 2.356 216 G HA2 0.032 3.739 3.960 -0.421 0.000 0.294 216 G HA3 0.032 3.935 3.960 -0.095 0.000 0.294 216 G C -2.237 172.801 174.900 0.230 0.000 1.423 216 G CA 0.324 45.392 45.100 -0.054 0.000 0.806 216 G HN -0.058 8.465 8.290 0.389 0.000 0.527 220 c N 2.004 120.642 118.600 0.063 0.000 3.290 220 c HA 0.305 5.043 4.570 0.064 -0.129 0.206 220 c C -1.464 172.658 174.090 0.053 0.000 1.639 220 c CA -0.786 55.577 56.329 0.058 0.000 1.408 220 c CB -1.413 41.124 42.510 0.046 0.000 2.197 220 c HN 0.345 8.608 8.230 0.055 0.000 0.508 221 Q N -1.651 118.183 119.800 0.056 0.000 2.852 221 Q HA 0.141 4.502 4.340 0.035 0.000 0.250 221 Q C -1.387 174.636 176.000 0.039 0.000 0.988 221 Q CA -0.675 55.154 55.803 0.043 0.000 0.905 221 Q CB 2.408 31.172 28.738 0.044 0.000 1.896 221 Q HN 0.036 8.347 8.270 0.067 0.000 0.464 222 K N 4.185 124.601 120.400 0.027 0.000 2.485 222 K HA -0.290 4.161 4.320 0.034 -0.111 0.277 222 K C 0.192 176.793 176.600 0.001 0.000 0.990 222 K CA 0.825 57.124 56.287 0.021 0.000 0.994 222 K CB -0.037 32.471 32.500 0.014 0.000 0.906 222 K HN 0.294 8.558 8.250 0.023 0.000 0.488 223 N N 1.697 120.395 118.700 -0.004 0.000 2.732 223 N HA -0.490 4.227 4.740 -0.038 0.000 0.250 223 N C -1.507 173.939 175.510 -0.107 0.000 1.097 223 N CA 1.724 54.746 53.050 -0.048 0.000 0.812 223 N CB -0.397 38.055 38.487 -0.058 0.000 1.148 223 N HN 0.740 9.004 8.380 0.016 0.125 0.572 224 K N -1.656 118.710 120.400 -0.058 0.000 2.679 224 K HA 0.546 4.670 4.320 -0.327 0.000 0.188 224 K C -2.321 174.326 176.600 0.079 0.000 1.055 224 K CA -3.588 52.656 56.287 -0.071 0.000 1.006 224 K CB -0.122 32.398 32.500 0.034 0.000 1.317 224 K HN -0.655 7.537 8.250 -0.002 0.056 0.584 225 P HA -0.030 4.459 4.420 0.115 0.000 0.274 225 P C -0.515 176.851 177.300 0.110 0.000 1.256 225 P CA -0.507 62.669 63.100 0.126 0.000 0.795 225 P CB 1.193 32.954 31.700 0.103 0.000 1.038 226 G N -2.206 106.625 108.800 0.052 0.000 2.503 226 G HA2 0.282 4.058 3.960 -0.307 0.000 0.257 226 G HA3 0.282 4.147 3.960 -0.160 0.000 0.257 226 G C -1.711 172.902 174.900 -0.479 0.000 1.214 226 G CA -0.623 44.343 45.100 -0.222 0.000 0.839 226 G HN -0.373 8.003 8.290 0.142 0.000 0.559 227 V N 2.055 121.355 119.914 -1.024 0.000 2.581 227 V HA 0.540 4.417 4.120 -0.650 -0.146 0.303 227 V C -0.887 174.479 176.094 -1.213 0.000 1.041 227 V CA -0.977 60.665 62.300 -1.098 0.000 0.907 227 V CB 2.442 33.083 31.823 -1.970 0.000 0.994 227 V HN 0.515 8.047 8.190 -1.097 0.000 0.442 228 Y N 3.967 123.856 120.300 -0.685 0.000 2.545 228 Y HA 0.496 4.937 4.550 -0.383 -0.121 0.348 228 Y C 0.157 175.769 175.900 -0.481 0.000 1.002 228 Y CA -2.042 55.671 58.100 -0.647 0.000 1.039 228 Y CB 4.128 41.931 38.460 -1.096 0.000 1.271 228 Y HN 0.796 8.722 8.280 -0.590 0.000 0.467 229 T N 4.526 119.038 114.554 -0.070 0.000 2.901 229 T HA -0.001 4.549 4.350 0.090 -0.146 0.301 229 T C -0.665 174.149 174.700 0.190 0.000 1.012 229 T CA 1.623 63.764 62.100 0.068 0.000 1.135 229 T CB 0.591 69.488 68.868 0.047 0.000 0.936 229 T HN 0.368 8.597 8.240 -0.019 0.000 0.539 230 K N 7.956 128.558 120.400 0.336 0.000 2.150 230 K HA 0.167 4.891 4.320 0.674 0.000 0.261 230 K C 0.947 177.793 176.600 0.409 0.000 1.127 230 K CA -0.824 55.739 56.287 0.461 0.000 0.989 230 K CB -0.397 32.326 32.500 0.371 0.000 1.475 230 K HN 0.006 8.350 8.250 0.317 0.096 0.391 231 V N 5.564 125.706 119.914 0.380 0.000 2.380 231 V HA -0.568 3.852 4.120 0.499 0.000 0.251 231 V C 1.441 177.699 176.094 0.273 0.000 1.063 231 V CA 4.001 66.515 62.300 0.357 0.000 1.055 231 V CB -0.325 31.637 31.823 0.232 0.000 0.657 231 V HN 0.179 8.601 8.190 0.386 0.000 0.455 232 c N -3.216 115.480 118.600 0.160 0.000 2.410 232 c HA -0.244 4.371 4.570 0.075 0.000 0.281 232 c C 1.804 175.911 174.090 0.028 0.000 1.318 232 c CA 1.808 58.182 56.329 0.074 0.000 1.776 232 c CB -2.096 40.429 42.510 0.025 0.000 1.942 232 c HN 0.470 8.776 8.230 0.160 0.019 0.508 233 N N 0.927 119.605 118.700 -0.037 0.000 2.494 233 N HA -0.095 4.540 4.740 -0.174 0.000 0.182 233 N C 0.379 175.641 175.510 -0.412 0.000 1.076 233 N CA 1.245 54.126 53.050 -0.281 0.000 0.908 233 N CB -0.177 37.997 38.487 -0.522 0.000 0.967 233 N HN -0.222 8.146 8.380 0.044 0.039 0.449 234 Y N -4.560 115.811 120.300 0.119 0.000 2.531 234 Y HA 0.167 4.858 4.550 0.235 0.000 0.249 234 Y C 0.013 176.053 175.900 0.233 0.000 1.168 234 Y CA -0.589 57.640 58.100 0.214 0.000 1.226 234 Y CB -0.177 38.428 38.460 0.241 0.000 1.177 234 Y HN -0.081 8.125 8.280 0.187 0.186 0.527 235 V N 1.032 121.085 119.914 0.231 0.000 2.343 235 V HA -0.555 3.663 4.120 0.162 0.000 0.247 235 V C 1.315 177.482 176.094 0.121 0.000 1.051 235 V CA 4.881 67.273 62.300 0.153 0.000 1.036 235 V CB -0.585 31.289 31.823 0.085 0.000 0.654 235 V HN -0.842 7.444 8.190 0.160 0.000 0.451 236 S N 0.100 115.872 115.700 0.121 0.000 2.368 236 S HA -0.339 4.153 4.470 0.038 0.000 0.225 236 S C 1.787 176.459 174.600 0.119 0.000 1.030 236 S CA 3.115 61.367 58.200 0.087 0.000 0.999 236 S CB -0.464 62.784 63.200 0.080 0.000 0.844 236 S HN 0.122 8.502 8.310 0.117 0.000 0.459 237 W N 4.197 125.533 121.300 0.060 0.000 2.355 237 W HA -0.150 4.530 4.660 0.034 0.000 0.309 237 W C 1.483 178.011 176.519 0.015 0.000 1.206 237 W CA 3.149 60.537 57.345 0.070 0.000 1.284 237 W CB -0.050 29.534 29.460 0.207 0.000 1.145 237 W HN -0.381 8.035 8.180 0.393 0.000 0.502 238 I N -0.973 119.593 120.570 -0.007 0.000 2.113 238 I HA -0.764 3.024 4.170 -0.637 0.000 0.238 238 I C 1.811 177.702 176.117 -0.377 0.000 1.070 238 I CA 4.615 65.741 61.300 -0.290 0.000 1.332 238 I CB -0.217 37.774 38.000 -0.014 0.000 1.044 238 I HN 0.387 8.789 8.210 0.320 0.000 0.402 239 K N -1.084 119.191 120.400 -0.208 0.000 2.032 239 K HA -0.449 3.724 4.320 -0.245 0.000 0.209 239 K C 2.767 179.216 176.600 -0.252 0.000 1.048 239 K CA 3.788 59.949 56.287 -0.210 0.000 0.927 239 K CB -0.381 32.055 32.500 -0.106 0.000 0.712 239 K HN -0.209 7.985 8.250 -0.095 0.000 0.441 240 Q N -1.935 117.727 119.800 -0.230 0.000 2.050 240 Q HA -0.322 3.923 4.340 -0.159 0.000 0.202 240 Q C 2.651 178.457 176.000 -0.323 0.000 0.980 240 Q CA 3.484 59.160 55.803 -0.213 0.000 0.840 240 Q CB 0.017 28.675 28.738 -0.133 0.000 0.898 240 Q HN 0.232 8.392 8.270 -0.183 0.000 0.424 241 T N 2.827 117.060 114.554 -0.536 0.000 2.708 241 T HA -0.286 3.816 4.350 -0.414 0.000 0.266 241 T C 2.430 176.795 174.700 -0.558 0.000 1.037 241 T CA 4.946 66.687 62.100 -0.598 0.000 1.146 241 T CB -0.207 68.028 68.868 -1.056 0.000 0.865 241 T HN 0.060 7.904 8.240 -0.659 0.000 0.435 242 I N 0.868 121.000 120.570 -0.731 0.000 2.226 242 I HA -0.459 2.930 4.170 -1.302 0.000 0.245 242 I C 1.760 177.644 176.117 -0.389 0.000 1.100 242 I CA 3.736 64.491 61.300 -0.909 0.000 1.374 242 I CB -0.410 36.961 38.000 -1.049 0.000 1.057 242 I HN 0.043 7.822 8.210 -0.718 0.000 0.413 243 A N -0.362 122.285 122.820 -0.288 0.000 1.972 243 A HA -0.225 4.031 4.320 -0.106 0.000 0.219 243 A C 1.364 178.894 177.584 -0.090 0.000 1.169 243 A CA 2.807 54.757 52.037 -0.144 0.000 0.635 243 A CB -0.425 18.500 19.000 -0.125 0.000 0.810 243 A HN -0.047 7.898 8.150 -0.334 0.005 0.446 244 S N -4.556 111.080 115.700 -0.107 0.000 2.597 244 S HA 0.131 4.585 4.470 -0.027 0.000 0.224 244 S C -0.522 174.079 174.600 0.003 0.000 0.955 244 S CA 0.665 58.837 58.200 -0.047 0.000 0.933 244 S CB 0.725 63.888 63.200 -0.060 0.000 0.788 244 S HN -0.369 7.726 8.310 -0.173 0.111 0.488 245 N N 0.000 118.729 118.700 0.048 0.000 1.763 245 N HA 0.000 4.814 4.740 0.123 0.000 0.220 245 N CA 0.000 53.157 53.050 0.179 0.000 0.885 245 N CB 0.000 38.663 38.487 0.294 0.000 1.341 245 N HN 0.000 8.217 8.380 0.010 0.169 0.667