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 1c5p_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV 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 4.169 4.170 -0.001 0.000 0.288 16 I C 0.000 176.092 176.117 -0.042 0.000 1.063 16 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 16 I CB 0.000 37.952 38.000 -0.080 0.000 1.214 17 V N 5.205 125.109 119.914 -0.017 0.000 2.435 17 V HA 0.249 4.486 4.120 -0.032 -0.136 0.290 17 V C 0.538 176.626 176.094 -0.009 0.000 1.030 17 V CA -1.670 60.619 62.300 -0.018 0.000 0.881 17 V CB 1.132 32.951 31.823 -0.005 0.000 0.983 17 V HN 0.727 8.921 8.190 0.006 0.000 0.445 18 G N 6.846 115.637 108.800 -0.016 0.000 2.176 18 G HA2 -0.397 3.555 3.960 -0.014 0.000 0.252 18 G HA3 -0.397 3.699 3.960 -0.030 -0.153 0.252 18 G C -0.725 174.178 174.900 0.005 0.000 1.024 18 G CA 0.508 45.599 45.100 -0.015 0.000 0.755 18 G HN 0.787 9.065 8.290 -0.020 0.000 0.507 19 G N -1.539 107.262 108.800 0.001 0.000 2.795 19 G HA2 0.591 4.601 3.960 0.082 0.000 0.267 19 G HA3 0.591 4.582 3.960 -0.098 -0.089 0.267 19 G C -1.861 173.077 174.900 0.063 0.000 1.362 19 G CA -1.169 43.933 45.100 0.003 0.000 1.048 19 G HN -0.661 7.592 8.290 -0.019 0.025 0.547 20 Y N -6.076 114.201 120.300 -0.037 0.000 2.605 20 Y HA 0.422 4.952 4.550 -0.034 0.000 0.343 20 Y C -1.743 174.127 175.900 -0.048 0.000 1.036 20 Y CA -2.866 55.211 58.100 -0.037 0.000 1.065 20 Y CB 1.395 39.837 38.460 -0.031 0.000 1.288 20 Y HN 0.393 8.337 8.280 -0.561 0.000 0.481 21 T N 3.026 117.640 114.554 0.100 0.000 2.799 21 T HA -0.019 4.424 4.350 -0.096 -0.151 0.296 21 T C 0.342 175.081 174.700 0.065 0.000 0.947 21 T CA 1.799 63.903 62.100 0.006 0.000 1.141 21 T CB -0.114 68.780 68.868 0.043 0.000 0.891 21 T HN 0.209 8.556 8.240 0.179 0.000 0.533 22 c N 6.914 125.455 118.600 -0.098 0.000 2.436 22 c HA -0.152 4.438 4.570 0.034 0.000 0.277 22 c C 0.110 174.229 174.090 0.049 0.000 1.241 22 c CA 1.168 57.472 56.329 -0.043 0.000 1.721 22 c CB -0.477 41.933 42.510 -0.166 0.000 2.043 22 c HN 0.549 8.666 8.230 -0.187 0.000 0.472 23 G N -2.341 106.464 108.800 0.008 0.000 2.697 23 G HA2 -0.232 3.744 3.960 0.027 0.000 0.684 23 G HA3 -0.232 3.747 3.960 0.032 0.000 0.684 23 G C -2.335 172.566 174.900 0.000 0.000 1.274 23 G CA -0.679 44.434 45.100 0.021 0.000 0.806 23 G HN -0.549 7.724 8.290 -0.027 0.000 0.644 24 A N 2.134 124.962 122.820 0.013 0.000 2.548 24 A HA -0.191 4.367 4.320 0.025 -0.222 0.247 24 A C -0.072 177.516 177.584 0.006 0.000 1.067 24 A CA 0.922 52.970 52.037 0.018 0.000 0.757 24 A CB 0.178 19.195 19.000 0.029 0.000 0.996 24 A HN 0.228 8.390 8.150 0.020 0.000 0.504 25 N N -2.113 116.588 118.700 0.001 0.000 2.721 25 N HA -0.379 4.348 4.740 -0.021 0.000 0.249 25 N C 0.302 175.789 175.510 -0.038 0.000 1.072 25 N CA 1.505 54.546 53.050 -0.015 0.000 0.710 25 N CB -1.078 37.411 38.487 0.004 0.000 0.993 25 N HN 0.533 8.921 8.380 0.014 0.000 0.547 26 T N -4.071 110.452 114.554 -0.053 0.000 3.081 26 T HA -0.012 4.324 4.350 -0.023 0.000 0.250 26 T C -0.427 174.211 174.700 -0.104 0.000 1.100 26 T CA 1.145 63.218 62.100 -0.045 0.000 1.038 26 T CB 0.738 69.598 68.868 -0.014 0.000 0.962 26 T HN -0.470 7.712 8.240 -0.057 0.024 0.516 27 V N 2.198 121.987 119.914 -0.208 0.000 2.320 27 V HA 0.359 4.187 4.120 -0.488 0.000 0.257 27 V C -1.088 174.683 176.094 -0.537 0.000 0.996 27 V CA -3.615 58.400 62.300 -0.476 0.000 0.928 27 V CB 0.821 32.358 31.823 -0.477 0.000 1.169 27 V HN -0.421 7.605 8.190 -0.172 0.061 0.475 28 P HA 0.008 4.469 4.420 -0.099 -0.101 0.225 28 P C 0.224 177.465 177.300 -0.099 0.000 1.148 28 P CA 1.738 64.752 63.100 -0.144 0.000 0.779 28 P CB 0.101 31.790 31.700 -0.018 0.000 0.780 29 Y N -5.839 114.489 120.300 0.047 0.000 2.466 29 Y HA 0.504 5.261 4.550 0.061 -0.171 0.272 29 Y C -0.551 175.391 175.900 0.070 0.000 1.169 29 Y CA -3.535 54.598 58.100 0.056 0.000 1.285 29 Y CB -1.517 36.971 38.460 0.048 0.000 1.078 29 Y HN -0.403 7.285 8.280 -0.901 0.051 0.523 30 Q N 2.242 121.944 119.800 -0.163 0.000 2.304 30 Q HA 0.198 4.741 4.340 0.129 -0.126 0.260 30 Q C -0.688 175.409 176.000 0.161 0.000 0.965 30 Q CA 0.116 55.925 55.803 0.010 0.000 0.898 30 Q CB 0.832 29.475 28.738 -0.160 0.000 1.196 30 Q HN -0.670 7.160 8.270 -0.446 0.172 0.402 31 V N 6.491 126.538 119.914 0.222 0.000 2.864 31 V HA 0.468 4.841 4.120 0.196 -0.136 0.314 31 V C -1.488 174.770 176.094 0.273 0.000 1.073 31 V CA -1.534 60.892 62.300 0.209 0.000 0.956 31 V CB 3.733 35.635 31.823 0.132 0.000 1.023 31 V HN 0.174 8.492 8.190 0.213 0.000 0.435 32 S N 2.422 118.193 115.700 0.117 0.000 2.478 32 S HA 0.546 5.261 4.470 0.198 -0.126 0.312 32 S C -1.259 173.243 174.600 -0.163 0.000 1.094 32 S CA -1.631 56.572 58.200 0.005 0.000 1.081 32 S CB 1.718 64.700 63.200 -0.363 0.000 1.007 32 S HN 0.197 8.541 8.310 0.057 0.000 0.475 33 L N 7.151 128.149 121.223 -0.374 0.000 2.275 33 L HA 0.601 4.893 4.340 -0.304 -0.135 0.288 33 L C -1.532 174.938 176.870 -0.668 0.000 1.046 33 L CA -0.927 53.580 54.840 -0.555 0.000 0.805 33 L CB 0.913 42.437 42.059 -0.891 0.000 1.193 33 L HN 0.887 8.851 8.230 -0.443 0.000 0.426 38 G N -0.016 108.540 108.800 -0.407 0.000 2.201 38 G HA2 -0.246 3.635 3.960 -0.131 0.000 0.212 38 G HA3 -0.246 3.663 3.960 -0.084 0.000 0.212 38 G C -1.720 173.148 174.900 -0.053 0.000 0.994 38 G CA 0.191 45.178 45.100 -0.188 0.000 0.644 38 G HN 0.234 8.596 8.290 -0.337 -0.274 0.508 39 Y N -7.347 112.934 120.300 -0.031 0.000 2.732 39 Y HA 0.200 4.717 4.550 -0.054 0.000 0.342 39 Y C -2.486 173.437 175.900 0.037 0.000 1.203 39 Y CA -3.285 54.803 58.100 -0.020 0.000 1.092 39 Y CB 0.753 39.201 38.460 -0.019 0.000 1.345 39 Y HN -1.267 6.627 8.280 -0.725 -0.049 0.458 40 H N 2.504 121.597 119.070 0.038 0.000 2.848 40 H HA 0.042 4.646 4.556 -0.221 -0.180 0.317 40 H C -0.325 175.105 175.328 0.171 0.000 1.046 40 H CA -0.179 55.827 56.048 -0.070 0.000 1.470 40 H CB 0.394 30.055 29.762 -0.168 0.000 1.483 40 H HN 0.294 8.712 8.280 0.231 0.000 0.548 41 F N 2.253 121.883 119.950 -0.534 0.000 2.876 41 F HA 0.313 4.791 4.527 -0.083 0.000 0.344 41 F C -1.584 173.984 175.800 -0.387 0.000 1.029 41 F CA -0.697 57.142 58.000 -0.268 0.000 1.154 41 F CB 1.612 40.581 39.000 -0.051 0.000 1.040 41 F HN 0.110 7.788 8.300 -1.037 0.000 0.576 42 c N -1.422 116.451 118.600 -1.212 0.000 3.311 42 c HA 0.374 4.842 4.570 -0.255 -0.051 0.325 42 c C -1.662 172.199 174.090 -0.381 0.000 1.352 42 c CA -0.226 55.744 56.329 -0.598 0.000 1.308 42 c CB 4.011 46.241 42.510 -0.467 0.000 1.619 42 c HN -0.783 6.443 8.230 -1.674 0.000 0.469 43 G N -0.803 107.983 108.800 -0.023 0.000 2.552 43 G HA2 0.795 5.086 3.960 0.259 0.000 0.318 43 G HA3 0.795 4.897 3.960 0.237 0.000 0.318 43 G C -2.476 172.455 174.900 0.052 0.000 1.240 43 G CA -1.549 43.646 45.100 0.159 0.000 1.002 43 G HN 0.818 9.104 8.290 -0.006 0.000 0.493 44 G N -3.976 104.890 108.800 0.111 0.000 2.550 44 G HA2 0.544 4.811 3.960 0.083 0.000 0.293 44 G HA3 0.544 4.543 3.960 0.065 0.000 0.293 44 G C -2.979 172.012 174.900 0.152 0.000 1.402 44 G CA 0.271 45.429 45.100 0.095 0.000 0.784 44 G HN -0.560 7.834 8.290 0.173 0.000 0.482 45 S N -0.800 114.992 115.700 0.153 0.000 2.521 45 S HA 0.832 5.659 4.470 0.271 -0.195 0.295 45 S C -1.440 173.263 174.600 0.171 0.000 1.098 45 S CA -0.909 57.411 58.200 0.200 0.000 0.999 45 S CB 3.902 67.200 63.200 0.163 0.000 1.034 45 S HN 0.406 8.793 8.310 0.128 0.000 0.483 46 L N 5.837 127.178 121.223 0.196 0.000 2.281 46 L HA 0.266 4.816 4.340 0.149 -0.120 0.285 46 L C -0.594 176.360 176.870 0.140 0.000 1.074 46 L CA -0.460 54.477 54.840 0.161 0.000 0.817 46 L CB 1.184 43.337 42.059 0.157 0.000 1.168 46 L HN 0.376 8.762 8.230 0.259 0.000 0.434 47 I N 0.212 120.862 120.570 0.133 0.000 3.854 47 I HA 0.430 4.802 4.170 0.066 -0.162 0.312 47 I C -0.810 175.366 176.117 0.099 0.000 1.273 47 I CA -0.292 61.065 61.300 0.095 0.000 1.298 47 I CB 0.732 38.778 38.000 0.075 0.000 1.071 47 I HN 0.304 8.611 8.210 0.162 0.000 0.428 48 N N -2.096 116.684 118.700 0.134 0.000 3.355 48 N HA 0.054 4.850 4.740 0.093 0.000 0.238 48 N C -0.570 175.015 175.510 0.125 0.000 1.466 48 N CA -0.376 52.747 53.050 0.122 0.000 0.882 48 N CB 1.038 39.602 38.487 0.129 0.000 1.406 48 N HN -0.870 7.605 8.380 0.158 0.000 0.500 49 S N -1.966 113.792 115.700 0.096 0.000 2.440 49 S HA -0.353 4.152 4.470 0.058 0.000 0.238 49 S C 0.971 175.593 174.600 0.037 0.000 1.010 49 S CA 2.648 60.886 58.200 0.064 0.000 0.972 49 S CB 0.067 63.294 63.200 0.046 0.000 0.774 49 S HN 0.470 8.834 8.310 0.089 0.000 0.501 50 Q N -2.346 117.488 119.800 0.056 0.000 2.246 50 Q HA 0.233 4.489 4.340 -0.141 0.000 0.222 50 Q C -1.099 174.723 176.000 -0.297 0.000 0.851 50 Q CA 0.223 55.957 55.803 -0.115 0.000 0.945 50 Q CB 1.292 29.947 28.738 -0.138 0.000 1.122 50 Q HN 0.054 8.365 8.270 0.142 0.044 0.508 51 W N -2.263 119.041 121.300 0.007 0.000 2.936 51 W HA 0.659 5.513 4.660 0.003 -0.192 0.338 51 W C -1.468 175.062 176.519 0.018 0.000 1.121 51 W CA -0.920 56.427 57.345 0.004 0.000 1.209 51 W CB 3.750 33.200 29.460 -0.017 0.000 1.420 51 W HN -0.599 7.732 8.180 0.251 0.000 0.516 52 V N 1.574 121.655 119.914 0.280 0.000 2.680 52 V HA 0.840 5.250 4.120 0.173 -0.186 0.309 52 V C -1.439 174.773 176.094 0.197 0.000 1.052 52 V CA -1.854 60.559 62.300 0.187 0.000 0.908 52 V CB 3.725 35.614 31.823 0.111 0.000 1.001 52 V HN 0.907 9.281 8.190 0.307 0.000 0.431 53 V N 2.029 122.034 119.914 0.152 0.000 2.555 53 V HA 1.023 5.410 4.120 0.156 -0.173 0.302 53 V C -1.657 174.500 176.094 0.106 0.000 1.038 53 V CA -2.812 59.570 62.300 0.136 0.000 0.887 53 V CB 2.321 34.215 31.823 0.118 0.000 0.991 53 V HN 0.565 8.839 8.190 0.141 0.000 0.434 54 S N 4.174 119.926 115.700 0.087 0.000 2.880 54 S HA 0.564 5.249 4.470 0.049 -0.185 0.308 54 S C -1.815 172.789 174.600 0.007 0.000 1.195 54 S CA -2.416 55.809 58.200 0.041 0.000 0.866 54 S CB 2.414 65.624 63.200 0.017 0.000 1.254 54 S HN 0.641 9.013 8.310 0.103 0.000 0.571 55 A N -0.566 122.221 122.820 -0.055 0.000 2.306 55 A HA 0.451 4.880 4.320 -0.068 -0.150 0.314 55 A C 0.435 177.914 177.584 -0.176 0.000 1.164 55 A CA -1.580 50.392 52.037 -0.109 0.000 0.822 55 A CB 1.457 20.360 19.000 -0.162 0.000 1.130 55 A HN 0.331 8.437 8.150 -0.074 0.000 0.496 56 A N 4.953 127.613 122.820 -0.267 0.000 2.019 56 A HA -0.234 3.950 4.320 -0.225 0.000 0.219 56 A C 1.235 178.600 177.584 -0.366 0.000 1.164 56 A CA 2.717 54.484 52.037 -0.451 0.000 0.644 56 A CB -0.313 18.044 19.000 -1.072 0.000 0.805 56 A HN 0.624 8.646 8.150 -0.255 -0.024 0.449 57 H N -5.082 113.844 119.070 -0.240 0.000 2.563 57 H HA -0.050 4.555 4.556 0.081 0.000 0.272 57 H C -0.090 175.296 175.328 0.096 0.000 1.005 57 H CA 1.103 57.165 56.048 0.025 0.000 1.171 57 H CB -1.294 28.546 29.762 0.129 0.000 1.351 57 H HN -0.090 8.384 8.280 -0.147 -0.282 0.602 58 c N -0.840 117.648 118.600 -0.187 0.000 2.791 58 c HA 0.052 4.673 4.570 0.085 0.000 0.270 58 c C -0.002 174.174 174.090 0.143 0.000 1.257 58 c CA -0.472 55.862 56.329 0.008 0.000 1.699 58 c CB -1.788 40.702 42.510 -0.034 0.000 1.904 58 c HN -0.267 7.625 8.230 -0.234 0.198 0.603 59 Y N 2.570 122.872 120.300 0.003 0.000 2.620 59 Y HA -0.263 4.307 4.550 0.033 0.000 0.330 59 Y C -0.820 175.062 175.900 -0.030 0.000 1.186 59 Y CA 1.945 60.049 58.100 0.007 0.000 1.467 59 Y CB 0.449 38.903 38.460 -0.010 0.000 1.262 59 Y HN -0.567 7.612 8.280 0.147 0.189 0.550 60 K N 7.295 127.052 120.400 -1.071 0.000 2.575 60 K HA 0.173 3.937 4.320 -0.926 0.000 0.279 60 K C -2.162 173.935 176.600 -0.838 0.000 0.969 60 K CA -1.575 54.156 56.287 -0.927 0.000 0.868 60 K CB 3.542 35.629 32.500 -0.689 0.000 1.457 60 K HN -0.055 7.667 8.250 -0.881 0.000 0.426 61 S N 0.154 115.525 115.700 -0.549 0.000 2.554 61 S HA 0.116 4.466 4.470 -0.200 0.000 0.278 61 S C 0.876 175.357 174.600 -0.200 0.000 1.242 61 S CA -0.570 57.475 58.200 -0.259 0.000 1.051 61 S CB 0.584 63.712 63.200 -0.120 0.000 0.986 61 S HN 0.007 8.024 8.310 -0.487 0.000 0.502 62 G N 3.271 111.995 108.800 -0.125 0.000 2.341 62 G HA2 -0.210 3.701 3.960 -0.080 0.000 0.278 62 G HA3 -0.210 3.676 3.960 -0.123 0.000 0.278 62 G C -1.585 173.248 174.900 -0.111 0.000 1.111 62 G CA -0.056 44.977 45.100 -0.111 0.000 0.982 62 G HN 0.263 8.500 8.290 -0.088 0.000 0.502 63 I N -1.033 119.495 120.570 -0.071 0.000 2.437 63 I HA 0.162 4.461 4.170 0.005 -0.125 0.298 63 I C -2.055 174.037 176.117 -0.041 0.000 0.984 63 I CA -1.300 59.989 61.300 -0.018 0.000 1.214 63 I CB 1.955 39.978 38.000 0.038 0.000 1.365 63 I HN -0.488 7.684 8.210 -0.063 0.000 0.469 64 Q N 5.935 125.699 119.800 -0.060 0.000 2.340 64 Q HA 0.457 4.861 4.340 -0.056 -0.097 0.268 64 Q C -1.813 174.129 176.000 -0.097 0.000 1.031 64 Q CA -1.400 54.353 55.803 -0.082 0.000 0.804 64 Q CB 3.920 32.582 28.738 -0.128 0.000 1.286 64 Q HN 0.273 8.511 8.270 -0.053 0.000 0.448 65 V N 7.122 127.002 119.914 -0.058 0.000 2.439 65 V HA 0.280 4.475 4.120 -0.080 -0.123 0.282 65 V C -1.303 174.790 176.094 -0.001 0.000 1.039 65 V CA -0.201 62.074 62.300 -0.043 0.000 0.913 65 V CB 1.113 32.929 31.823 -0.012 0.000 0.983 65 V HN 1.085 9.148 8.190 -0.034 0.108 0.460 66 R N 6.424 126.912 120.500 -0.020 0.000 2.360 66 R HA 0.657 5.349 4.340 0.293 -0.176 0.318 66 R C -0.984 175.390 176.300 0.123 0.000 0.950 66 R CA -1.298 54.858 56.100 0.093 0.000 0.837 66 R CB 1.547 31.766 30.300 -0.136 0.000 1.165 66 R HN 0.744 8.975 8.270 -0.065 0.000 0.458 70 E N -0.089 120.212 120.200 0.169 0.000 2.319 70 E HA 0.159 4.597 4.350 0.147 0.000 0.268 70 E C -1.710 175.074 176.600 0.306 0.000 1.050 70 E CA 0.060 56.581 56.400 0.202 0.000 0.878 70 E CB 1.333 31.104 29.700 0.119 0.000 1.066 70 E HN -0.606 7.834 8.360 0.192 0.035 0.406 71 D N 1.557 122.113 120.400 0.259 0.000 3.045 71 D HA 0.072 4.909 4.640 0.328 0.000 0.196 71 D C -1.078 175.421 176.300 0.332 0.000 1.520 71 D CA 1.009 55.172 54.000 0.272 0.000 1.466 71 D CB 2.485 43.365 40.800 0.133 0.000 1.152 71 D HN 0.105 8.583 8.370 0.180 0.000 0.254 72 N N 0.825 119.633 118.700 0.180 0.000 2.408 72 N HA 0.272 5.278 4.740 0.191 -0.150 0.257 72 N C 2.035 177.562 175.510 0.028 0.000 1.064 72 N CA -0.591 52.537 53.050 0.130 0.000 0.952 72 N CB 0.845 39.381 38.487 0.080 0.000 1.093 72 N HN -0.358 8.401 8.380 0.133 -0.300 0.490 73 I N -0.163 120.340 120.570 -0.111 0.000 3.564 73 I HA 0.008 4.204 4.170 -0.230 -0.164 0.294 73 I C -0.475 175.558 176.117 -0.140 0.000 1.289 73 I CA 0.887 62.023 61.300 -0.273 0.000 1.325 73 I CB -0.647 36.943 38.000 -0.684 0.000 1.039 73 I HN 0.589 8.748 8.210 -0.084 0.000 0.474 74 N N -1.767 116.898 118.700 -0.059 0.000 2.205 74 N HA 0.173 4.892 4.740 -0.036 0.000 0.201 74 N C -1.061 174.455 175.510 0.009 0.000 1.128 74 N CA -0.191 52.846 53.050 -0.023 0.000 0.867 74 N CB 2.138 40.621 38.487 -0.007 0.000 0.996 74 N HN 0.024 8.684 8.380 -0.034 -0.301 0.503 75 V N 0.275 120.203 119.914 0.023 0.000 2.638 75 V HA 0.055 4.197 4.120 0.035 0.000 0.306 75 V C -1.379 174.748 176.094 0.055 0.000 1.052 75 V CA -0.995 61.327 62.300 0.037 0.000 0.885 75 V CB 3.255 35.099 31.823 0.035 0.000 0.999 75 V HN -0.852 7.358 8.190 0.015 -0.011 0.424 76 V N 7.663 127.611 119.914 0.057 0.000 2.372 76 V HA -0.170 4.215 4.120 0.077 -0.218 0.261 76 V C 0.281 176.386 176.094 0.018 0.000 1.055 76 V CA 0.564 62.894 62.300 0.050 0.000 0.930 76 V CB -0.332 31.515 31.823 0.040 0.000 1.031 76 V HN 0.307 8.526 8.190 0.049 0.000 0.479 77 E N 8.946 129.156 120.200 0.017 0.000 2.474 77 E HA 0.049 4.405 4.350 0.011 0.000 0.195 77 E C 0.500 177.096 176.600 -0.008 0.000 1.039 77 E CA -0.065 56.341 56.400 0.010 0.000 0.881 77 E CB 0.267 29.982 29.700 0.026 0.000 0.970 77 E HN 0.294 9.068 8.360 0.026 -0.398 0.486 78 G N -1.172 107.609 108.800 -0.032 0.000 2.259 78 G HA2 -0.366 3.556 3.960 -0.064 0.000 0.217 78 G HA3 -0.366 3.575 3.960 -0.032 0.000 0.217 78 G C 0.064 174.929 174.900 -0.058 0.000 1.001 78 G CA 0.426 45.498 45.100 -0.048 0.000 0.627 78 G HN -0.002 8.391 8.290 -0.041 -0.127 0.501 79 N N 0.499 119.174 118.700 -0.042 0.000 2.235 79 N HA 0.052 4.765 4.740 -0.045 0.000 0.209 79 N C -1.466 174.009 175.510 -0.058 0.000 1.122 79 N CA -0.581 52.446 53.050 -0.039 0.000 0.845 79 N CB 0.558 39.041 38.487 -0.007 0.000 1.004 79 N HN 0.333 8.699 8.380 -0.023 0.000 0.499 80 E N -0.196 119.931 120.200 -0.122 0.000 2.349 80 E HA 0.286 4.846 4.350 -0.046 -0.238 0.265 80 E C -0.193 176.223 176.600 -0.305 0.000 1.064 80 E CA -0.182 56.105 56.400 -0.189 0.000 0.886 80 E CB 0.789 30.270 29.700 -0.365 0.000 1.036 80 E HN -0.479 7.723 8.360 -0.136 0.076 0.413 81 Q N 0.657 120.344 119.800 -0.189 0.000 2.274 81 Q HA 0.302 4.499 4.340 -0.239 0.000 0.268 81 Q C -1.418 174.636 176.000 0.090 0.000 1.015 81 Q CA -1.130 54.596 55.803 -0.130 0.000 0.775 81 Q CB 3.134 31.854 28.738 -0.029 0.000 1.256 81 Q HN 0.263 8.519 8.270 -0.023 0.000 0.442 82 F N 3.676 123.607 119.950 -0.031 0.000 2.402 82 F HA 0.835 5.523 4.527 -0.045 -0.188 0.355 82 F C 0.124 175.901 175.800 -0.039 0.000 1.123 82 F CA -1.692 56.284 58.000 -0.040 0.000 1.021 82 F CB 1.756 40.730 39.000 -0.043 0.000 1.160 82 F HN 0.287 8.536 8.300 -0.087 0.000 0.451 83 I N 4.595 125.245 120.570 0.134 0.000 2.545 83 I HA 0.323 4.520 4.170 0.045 0.000 0.292 83 I C -0.989 175.133 176.117 0.008 0.000 1.040 83 I CA -1.310 60.018 61.300 0.047 0.000 1.068 83 I CB 3.923 41.934 38.000 0.018 0.000 1.251 83 I HN 0.970 9.257 8.210 0.129 0.000 0.424 84 S N 6.179 121.873 115.700 -0.009 0.000 2.617 84 S HA 0.178 4.742 4.470 -0.034 -0.114 0.269 84 S C -0.729 173.841 174.600 -0.050 0.000 1.292 84 S CA 0.571 58.752 58.200 -0.031 0.000 1.010 84 S CB 1.079 64.260 63.200 -0.031 0.000 0.944 84 S HN 0.477 8.785 8.310 -0.004 0.000 0.536 85 A N 1.770 124.559 122.820 -0.052 0.000 2.327 85 A HA 0.434 4.833 4.320 -0.097 -0.138 0.283 85 A C -0.419 177.122 177.584 -0.071 0.000 1.127 85 A CA -0.890 51.105 52.037 -0.069 0.000 0.810 85 A CB 0.940 19.914 19.000 -0.043 0.000 1.066 85 A HN -0.213 7.910 8.150 -0.045 0.000 0.492 86 S N 2.302 117.939 115.700 -0.105 0.000 2.475 86 S HA 0.063 4.498 4.470 -0.059 0.000 0.224 86 S C 0.423 174.989 174.600 -0.057 0.000 1.042 86 S CA 1.277 59.426 58.200 -0.084 0.000 0.935 86 S CB 1.349 64.481 63.200 -0.114 0.000 0.801 86 S HN 0.742 8.844 8.310 -0.154 0.115 0.509 87 K N 0.806 121.164 120.400 -0.069 0.000 2.568 87 K HA 0.230 4.569 4.320 0.031 0.000 0.273 87 K C -2.479 174.147 176.600 0.044 0.000 0.951 87 K CA 0.296 56.584 56.287 0.002 0.000 0.854 87 K CB 2.856 35.365 32.500 0.015 0.000 1.424 87 K HN -0.820 7.355 8.250 -0.124 0.000 0.427 88 S N 2.414 118.186 115.700 0.120 0.000 2.526 88 S HA 0.932 5.695 4.470 0.184 -0.183 0.293 88 S C -0.903 173.813 174.600 0.194 0.000 1.092 88 S CA -0.761 57.550 58.200 0.184 0.000 0.980 88 S CB 2.615 65.968 63.200 0.256 0.000 1.048 88 S HN 0.113 8.496 8.310 0.122 0.000 0.483 89 I N 6.872 127.579 120.570 0.227 0.000 2.476 89 I HA 0.192 4.462 4.170 0.166 0.000 0.281 89 I C -1.638 174.634 176.117 0.259 0.000 1.040 89 I CA -0.489 60.947 61.300 0.226 0.000 1.094 89 I CB 2.617 40.770 38.000 0.256 0.000 1.219 89 I HN 1.007 9.371 8.210 0.256 0.000 0.450 90 V N 7.254 127.252 119.914 0.141 0.000 2.686 90 V HA -0.104 4.071 4.120 0.092 0.000 0.295 90 V C -0.274 175.882 176.094 0.102 0.000 1.057 90 V CA -0.802 61.542 62.300 0.074 0.000 1.012 90 V CB 1.035 32.815 31.823 -0.071 0.000 1.006 90 V HN 0.273 8.505 8.190 0.070 0.000 0.477 91 H N 7.980 126.975 119.070 -0.125 0.000 3.064 91 H HA -0.074 4.010 4.556 -0.786 0.000 0.329 91 H C -0.008 175.203 175.328 -0.196 0.000 1.020 91 H CA 0.830 56.603 56.048 -0.458 0.000 1.402 91 H CB 1.646 31.037 29.762 -0.618 0.000 1.379 91 H HN -0.158 8.130 8.280 0.013 0.000 0.594 92 P HA -0.109 4.259 4.420 -0.087 0.000 0.219 92 P C -0.344 176.930 177.300 -0.043 0.000 1.146 92 P CA 1.693 64.664 63.100 -0.214 0.000 0.808 92 P CB 0.327 31.884 31.700 -0.239 0.000 0.779 93 S N -2.890 112.891 115.700 0.135 0.000 2.574 93 S HA 0.049 4.563 4.470 0.073 0.000 0.242 93 S C -0.843 173.863 174.600 0.177 0.000 0.982 93 S CA -0.309 57.997 58.200 0.176 0.000 0.977 93 S CB 0.672 63.981 63.200 0.182 0.000 0.814 93 S HN -0.393 8.035 8.310 0.252 0.032 0.464 94 Y N 5.001 125.344 120.300 0.072 0.000 2.620 94 Y HA -0.236 4.495 4.550 -0.035 -0.202 0.330 94 Y C -0.936 174.954 175.900 -0.017 0.000 1.186 94 Y CA 1.027 59.125 58.100 -0.003 0.000 1.467 94 Y CB 0.637 39.093 38.460 -0.006 0.000 1.262 94 Y HN -0.680 7.718 8.280 0.306 0.066 0.550 95 N N 7.462 125.777 118.700 -0.642 0.000 2.479 95 N HA 0.235 4.687 4.740 -0.481 0.000 0.261 95 N C -0.221 174.732 175.510 -0.929 0.000 0.979 95 N CA -1.202 51.489 53.050 -0.598 0.000 0.930 95 N CB 1.825 40.139 38.487 -0.288 0.000 1.172 95 N HN -0.133 7.983 8.380 -0.441 0.000 0.499 96 S N 6.355 121.525 115.700 -0.883 0.000 2.515 96 S HA -0.105 3.951 4.470 -0.691 0.000 0.231 96 S C 0.944 175.360 174.600 -0.306 0.000 0.987 96 S CA 2.482 60.338 58.200 -0.574 0.000 0.936 96 S CB -0.170 62.886 63.200 -0.239 0.000 0.766 96 S HN 0.701 8.608 8.310 -0.672 0.000 0.528 97 N N 1.216 119.741 118.700 -0.291 0.000 2.336 97 N HA -0.052 4.569 4.740 -0.198 0.000 0.177 97 N C 1.027 176.374 175.510 -0.272 0.000 1.018 97 N CA 2.263 55.177 53.050 -0.227 0.000 0.878 97 N CB 0.747 39.129 38.487 -0.175 0.000 0.997 97 N HN -0.030 8.384 8.380 -0.320 -0.226 0.433 98 T N -3.847 110.536 114.554 -0.284 0.000 3.014 98 T HA 0.073 4.209 4.350 -0.357 0.000 0.250 98 T C 0.166 174.645 174.700 -0.368 0.000 1.060 98 T CA -0.107 61.809 62.100 -0.308 0.000 1.040 98 T CB 1.424 70.174 68.868 -0.197 0.000 0.971 98 T HN -0.593 7.698 8.240 -0.281 -0.220 0.497 99 L N -3.753 117.294 121.223 -0.293 0.000 4.291 99 L HA -0.487 3.943 4.340 0.026 -0.074 0.413 99 L C -1.827 175.062 176.870 0.033 0.000 1.162 99 L CA 0.558 55.330 54.840 -0.114 0.000 0.961 99 L CB -2.770 39.130 42.059 -0.266 0.000 2.095 99 L HN -0.241 7.798 8.230 -0.318 0.000 0.838 100 N N -0.759 117.921 118.700 -0.033 0.000 2.520 100 N HA -0.132 4.663 4.740 0.092 0.000 0.273 100 N C -0.077 175.485 175.510 0.087 0.000 1.155 100 N CA 0.596 53.670 53.050 0.040 0.000 0.967 100 N CB 1.190 39.673 38.487 -0.006 0.000 1.092 100 N HN -0.782 7.474 8.380 -0.134 0.044 0.457 101 N N -0.768 117.981 118.700 0.082 0.000 2.756 101 N HA -0.468 4.225 4.740 -0.079 0.000 0.248 101 N C -1.344 174.135 175.510 -0.051 0.000 1.062 101 N CA 1.365 54.366 53.050 -0.082 0.000 0.696 101 N CB -1.455 36.897 38.487 -0.225 0.000 0.946 101 N HN 0.633 9.082 8.380 0.116 0.000 0.548 102 D N -0.753 119.666 120.400 0.033 0.000 2.551 102 D HA 0.068 4.676 4.640 -0.054 0.000 0.223 102 D C -2.048 174.164 176.300 -0.147 0.000 1.144 102 D CA -0.256 53.752 54.000 0.014 0.000 1.025 102 D CB -0.708 40.209 40.800 0.195 0.000 1.085 102 D HN -0.043 8.367 8.370 0.067 0.000 0.506 103 I N 2.002 122.416 120.570 -0.260 0.000 2.827 103 I HA 0.737 5.014 4.170 -0.110 -0.173 0.298 103 I C -3.062 173.022 176.117 -0.055 0.000 1.235 103 I CA -1.534 59.653 61.300 -0.189 0.000 1.021 103 I CB 3.954 41.722 38.000 -0.387 0.000 1.259 103 I HN -0.122 7.871 8.210 -0.286 0.045 0.427 104 M N 4.790 124.439 119.600 0.081 0.000 2.520 104 M HA 0.788 5.594 4.480 0.322 -0.133 0.283 104 M C -2.878 173.566 176.300 0.240 0.000 1.237 104 M CA -0.950 54.469 55.300 0.198 0.000 0.885 104 M CB 4.829 37.489 32.600 0.100 0.000 1.727 104 M HN 0.506 8.836 8.290 0.066 0.000 0.468 105 L N 0.548 121.943 121.223 0.287 0.000 2.334 105 L HA 0.919 5.596 4.340 0.255 -0.184 0.276 105 L C -1.270 175.801 176.870 0.335 0.000 1.014 105 L CA -1.481 53.531 54.840 0.287 0.000 0.815 105 L CB 3.577 45.745 42.059 0.182 0.000 1.268 105 L HN 0.548 8.978 8.230 0.333 0.000 0.428 106 I N 1.037 121.796 120.570 0.316 0.000 2.466 106 I HA 0.553 4.962 4.170 0.119 -0.168 0.289 106 I C -1.712 174.354 176.117 -0.085 0.000 1.026 106 I CA -1.302 60.077 61.300 0.131 0.000 1.078 106 I CB 3.129 41.177 38.000 0.080 0.000 1.249 106 I HN 0.917 9.337 8.210 0.350 0.000 0.429 107 K N 6.678 126.827 120.400 -0.418 0.000 2.159 107 K HA 0.678 4.354 4.320 -1.346 -0.163 0.266 107 K C -1.117 175.203 176.600 -0.467 0.000 0.975 107 K CA -1.945 53.755 56.287 -0.977 0.000 0.865 107 K CB 3.184 34.941 32.500 -1.237 0.000 1.087 107 K HN 0.735 8.840 8.250 -0.242 0.000 0.446 108 L N 4.937 125.903 121.223 -0.427 0.000 2.350 108 L HA 0.218 4.577 4.340 -0.166 -0.118 0.275 108 L C 1.749 178.498 176.870 -0.201 0.000 1.099 108 L CA -0.060 54.645 54.840 -0.224 0.000 0.808 108 L CB 0.378 42.343 42.059 -0.156 0.000 1.149 108 L HN 0.668 8.554 8.230 -0.573 0.000 0.442 109 K N 2.708 123.032 120.400 -0.128 0.000 2.147 109 K HA -0.271 3.984 4.320 -0.108 0.000 0.205 109 K C 0.050 176.602 176.600 -0.081 0.000 1.049 109 K CA 2.651 58.880 56.287 -0.096 0.000 0.936 109 K CB 0.402 32.865 32.500 -0.061 0.000 0.722 109 K HN 0.549 8.737 8.250 -0.104 0.000 0.446 110 S N -4.072 111.585 115.700 -0.072 0.000 2.569 110 S HA 0.127 4.566 4.470 -0.052 0.000 0.280 110 S C -1.827 172.740 174.600 -0.055 0.000 1.111 110 S CA -1.216 56.953 58.200 -0.052 0.000 0.887 110 S CB 2.225 65.406 63.200 -0.033 0.000 1.095 110 S HN -0.522 7.722 8.310 -0.074 0.021 0.476 111 A N 1.870 124.666 122.820 -0.041 0.000 2.425 111 A HA 0.059 4.501 4.320 -0.043 -0.147 0.249 111 A C -0.593 176.983 177.584 -0.014 0.000 1.084 111 A CA -0.048 51.972 52.037 -0.028 0.000 0.781 111 A CB 0.865 19.858 19.000 -0.011 0.000 1.019 111 A HN 0.215 8.345 8.150 -0.034 0.000 0.490 112 A N 2.204 125.022 122.820 -0.003 0.000 2.332 112 A HA 0.185 4.581 4.320 0.001 -0.075 0.258 112 A C -0.399 177.191 177.584 0.010 0.000 1.087 112 A CA -0.999 51.042 52.037 0.007 0.000 0.802 112 A CB 1.146 20.159 19.000 0.023 0.000 1.042 112 A HN 0.439 8.476 8.150 -0.002 0.112 0.489 113 S N 0.586 116.291 115.700 0.007 0.000 2.410 113 S HA 0.141 4.617 4.470 0.009 0.000 0.304 113 S C -1.023 173.586 174.600 0.015 0.000 1.095 113 S CA -0.704 57.500 58.200 0.007 0.000 1.089 113 S CB 0.102 63.300 63.200 -0.003 0.000 0.968 113 S HN 0.041 8.708 8.310 0.003 -0.354 0.480 114 L N 6.818 128.054 121.223 0.022 0.000 2.349 114 L HA 0.070 4.553 4.340 0.034 -0.122 0.275 114 L C -0.363 176.521 176.870 0.023 0.000 1.115 114 L CA -0.104 54.753 54.840 0.030 0.000 0.820 114 L CB 0.314 42.396 42.059 0.038 0.000 1.135 114 L HN 0.309 8.551 8.230 0.021 0.000 0.445 115 N N 4.068 122.783 118.700 0.025 0.000 3.522 115 N HA 0.217 4.968 4.740 0.018 0.000 0.328 115 N C -0.643 174.881 175.510 0.024 0.000 1.623 115 N CA -0.637 52.424 53.050 0.019 0.000 0.812 115 N CB 0.877 39.371 38.487 0.011 0.000 2.008 115 N HN 0.418 8.709 8.380 0.030 0.107 0.601 116 S N -1.352 114.359 115.700 0.019 0.000 2.399 116 S HA -0.228 4.257 4.470 0.026 0.000 0.231 116 S C 0.448 175.060 174.600 0.019 0.000 1.022 116 S CA 2.882 61.094 58.200 0.020 0.000 0.983 116 S CB -0.047 63.162 63.200 0.015 0.000 0.803 116 S HN 0.256 8.575 8.310 0.014 0.000 0.480 117 R N -1.141 119.368 120.500 0.016 0.000 2.246 117 R HA -0.075 4.270 4.340 0.007 0.000 0.199 117 R C -1.365 174.946 176.300 0.019 0.000 0.984 117 R CA 1.104 57.212 56.100 0.013 0.000 1.015 117 R CB 1.072 31.378 30.300 0.010 0.000 0.930 117 R HN -0.149 8.376 8.270 0.014 -0.247 0.475 118 V N -1.402 118.529 119.914 0.028 0.000 2.409 118 V HA 0.276 4.607 4.120 0.046 -0.183 0.290 118 V C -2.034 174.094 176.094 0.058 0.000 1.017 118 V CA -1.218 61.108 62.300 0.044 0.000 0.841 118 V CB 2.141 33.987 31.823 0.038 0.000 1.003 118 V HN -0.564 7.691 8.190 0.026 -0.050 0.426 119 A N 7.115 129.986 122.820 0.085 0.000 2.527 119 A HA 0.626 4.996 4.320 0.083 0.000 0.293 119 A C -2.711 174.963 177.584 0.151 0.000 1.117 119 A CA -1.757 50.344 52.037 0.106 0.000 0.723 119 A CB 2.920 21.986 19.000 0.110 0.000 1.313 119 A HN 0.051 8.138 8.150 0.090 0.117 0.411 120 S N -1.664 114.113 115.700 0.128 0.000 2.713 120 S HA 0.673 5.372 4.470 0.163 -0.131 0.283 120 S C -0.863 173.799 174.600 0.103 0.000 1.161 120 S CA -0.984 57.294 58.200 0.129 0.000 0.999 120 S CB 2.007 65.261 63.200 0.090 0.000 1.039 120 S HN -0.022 8.347 8.310 0.099 0.000 0.548 121 I N 0.518 121.106 120.570 0.031 0.000 2.603 121 I HA 0.272 4.381 4.170 -0.102 0.000 0.300 121 I C -1.714 174.358 176.117 -0.074 0.000 1.017 121 I CA -1.705 59.518 61.300 -0.128 0.000 1.098 121 I CB 4.066 41.778 38.000 -0.480 0.000 1.279 121 I HN 0.491 8.732 8.210 0.052 0.000 0.437 122 S N 6.353 122.005 115.700 -0.079 0.000 2.584 122 S HA 0.223 4.679 4.470 -0.024 0.000 0.273 122 S C -0.808 173.766 174.600 -0.044 0.000 1.311 122 S CA -0.366 57.807 58.200 -0.044 0.000 1.034 122 S CB 0.688 63.866 63.200 -0.036 0.000 0.939 122 S HN 0.330 8.579 8.310 -0.102 0.000 0.513 123 L N 2.464 123.674 121.223 -0.021 0.000 2.399 123 L HA 0.191 4.529 4.340 -0.003 0.000 0.266 123 L C -1.115 175.751 176.870 -0.007 0.000 1.114 123 L CA -2.256 52.580 54.840 -0.005 0.000 0.804 123 L CB 0.307 42.370 42.059 0.006 0.000 1.146 123 L HN 0.217 8.437 8.230 -0.017 0.000 0.451 124 P HA 0.122 4.531 4.420 -0.018 0.000 0.276 124 P C -1.144 176.154 177.300 -0.002 0.000 1.244 124 P CA -0.482 62.614 63.100 -0.007 0.000 0.801 124 P CB 0.480 32.176 31.700 -0.006 0.000 1.006 128 c N 0.837 119.410 118.600 -0.045 0.000 2.534 128 c HA 0.106 4.633 4.570 -0.071 0.000 0.385 128 c C 0.206 174.234 174.090 -0.104 0.000 1.264 128 c CA -0.355 55.930 56.329 -0.073 0.000 2.342 128 c CB 0.331 42.802 42.510 -0.066 0.000 2.564 128 c HN -0.034 8.173 8.230 -0.039 0.000 0.603 129 A N 2.575 125.297 122.820 -0.164 0.000 2.302 129 A HA 0.028 4.274 4.320 -0.124 0.000 0.285 129 A C -0.994 176.483 177.584 -0.177 0.000 1.105 129 A CA -0.146 51.787 52.037 -0.173 0.000 0.816 129 A CB 0.743 19.608 19.000 -0.226 0.000 1.067 129 A HN 0.136 8.163 8.150 -0.206 0.000 0.489 133 G N 0.426 109.184 108.800 -0.070 0.000 2.284 133 G HA2 -0.248 3.678 3.960 -0.056 0.000 0.230 133 G HA3 -0.248 3.683 3.960 -0.048 0.000 0.230 133 G C 0.326 175.187 174.900 -0.065 0.000 1.021 133 G CA -0.093 44.972 45.100 -0.059 0.000 0.619 133 G HN 0.537 8.667 8.290 -0.075 0.116 0.510 134 T N 4.337 118.842 114.554 -0.082 0.000 2.928 134 T HA -0.152 4.162 4.350 -0.060 0.000 0.305 134 T C -0.678 173.977 174.700 -0.075 0.000 1.035 134 T CA 2.311 64.363 62.100 -0.079 0.000 1.145 134 T CB 0.387 69.192 68.868 -0.105 0.000 0.963 134 T HN -0.367 7.732 8.240 -0.095 0.084 0.545 135 Q N 4.896 124.667 119.800 -0.049 0.000 2.261 135 Q HA 0.117 4.561 4.340 -0.043 -0.130 0.252 135 Q C -0.890 175.093 176.000 -0.029 0.000 0.915 135 Q CA 0.269 56.054 55.803 -0.031 0.000 0.915 135 Q CB 1.338 30.076 28.738 0.001 0.000 1.204 135 Q HN 0.221 8.467 8.270 -0.040 0.000 0.421 136 c N 0.796 119.381 118.600 -0.025 0.000 2.913 136 c HA 0.648 5.329 4.570 -0.015 -0.121 0.322 136 c C -1.651 172.447 174.090 0.014 0.000 1.292 136 c CA -1.309 55.008 56.329 -0.020 0.000 1.649 136 c CB 4.280 46.758 42.510 -0.054 0.000 2.139 136 c HN 0.830 8.931 8.230 -0.025 0.114 0.475 137 L N 0.882 122.121 121.223 0.027 0.000 2.325 137 L HA 0.793 5.335 4.340 0.056 -0.168 0.281 137 L C -2.252 174.637 176.870 0.032 0.000 1.004 137 L CA -1.326 53.544 54.840 0.051 0.000 0.823 137 L CB 3.145 45.257 42.059 0.087 0.000 1.236 137 L HN 0.689 8.822 8.230 0.020 0.110 0.415 138 I N 7.645 128.218 120.570 0.006 0.000 2.474 138 I HA 0.857 5.272 4.170 0.027 -0.228 0.294 138 I C -1.356 174.735 176.117 -0.045 0.000 1.005 138 I CA -1.524 59.778 61.300 0.003 0.000 1.113 138 I CB 2.585 40.590 38.000 0.008 0.000 1.289 138 I HN 0.847 9.060 8.210 0.004 0.000 0.436 139 S N 2.789 118.460 115.700 -0.049 0.000 2.588 139 S HA 1.010 5.513 4.470 -0.217 -0.164 0.275 139 S C -1.142 173.350 174.600 -0.179 0.000 1.130 139 S CA -1.756 56.342 58.200 -0.170 0.000 0.855 139 S CB 3.757 66.824 63.200 -0.220 0.000 1.116 139 S HN -0.196 8.119 8.310 0.008 0.000 0.472 140 G N -1.017 107.584 108.800 -0.332 0.000 2.316 140 G HA2 0.169 3.897 3.960 -0.386 0.000 0.296 140 G HA3 0.169 4.242 3.960 -0.050 -0.143 0.296 140 G C -2.364 172.312 174.900 -0.373 0.000 1.399 140 G CA 0.604 45.532 45.100 -0.286 0.000 0.833 140 G HN 0.432 8.471 8.290 -0.419 0.000 0.565 141 W N 1.217 122.490 121.300 -0.045 0.000 3.015 141 W HA 0.426 5.039 4.660 -0.080 0.000 0.429 141 W C -0.288 176.266 176.519 0.057 0.000 0.976 141 W CA -0.939 56.344 57.345 -0.103 0.000 2.086 141 W CB 0.091 29.302 29.460 -0.415 0.000 1.125 141 W HN 0.587 8.945 8.180 0.296 0.000 0.721 142 G N 0.627 109.567 108.800 0.233 0.000 2.588 142 G HA2 0.003 4.241 3.960 0.448 0.000 0.281 142 G HA3 0.003 4.251 3.960 0.194 -0.172 0.281 142 G C -0.966 173.882 174.900 -0.086 0.000 1.236 142 G CA -0.966 44.264 45.100 0.217 0.000 0.969 142 G HN -0.454 8.049 8.290 0.134 -0.133 0.504 143 N N -0.408 118.068 118.700 -0.372 0.000 2.294 143 N HA -0.313 3.923 4.740 -1.117 -0.166 0.248 143 N C 0.766 176.113 175.510 -0.273 0.000 1.242 143 N CA 1.253 53.910 53.050 -0.656 0.000 0.848 143 N CB 0.557 38.729 38.487 -0.524 0.000 1.084 143 N HN 0.132 8.411 8.380 -0.169 0.000 0.457 144 T N -0.170 114.244 114.554 -0.234 0.000 3.085 144 T HA 0.181 4.603 4.350 -0.092 -0.127 0.264 144 T C 0.026 174.678 174.700 -0.081 0.000 1.019 144 T CA 0.142 62.173 62.100 -0.115 0.000 0.910 144 T CB 1.261 70.079 68.868 -0.082 0.000 1.059 144 T HN 0.265 8.327 8.240 -0.297 0.000 0.542 145 K N 1.637 121.983 120.400 -0.089 0.000 2.259 145 K HA 0.373 4.673 4.320 -0.033 0.000 0.252 145 K C -0.438 176.144 176.600 -0.031 0.000 0.936 145 K CA -2.090 54.169 56.287 -0.047 0.000 0.810 145 K CB 2.499 34.975 32.500 -0.039 0.000 1.143 145 K HN -0.812 7.524 8.250 -0.135 -0.168 0.427 146 S N 1.955 117.648 115.700 -0.012 0.000 2.377 146 S HA -0.178 4.294 4.470 0.004 0.000 0.223 146 S C 0.028 174.633 174.600 0.008 0.000 1.030 146 S CA 2.017 60.218 58.200 0.003 0.000 0.970 146 S CB 0.442 63.648 63.200 0.010 0.000 0.830 146 S HN 0.201 8.505 8.310 -0.010 0.000 0.473 147 S N 1.229 116.932 115.700 0.006 0.000 2.516 147 S HA 0.127 4.607 4.470 0.017 0.000 0.268 147 S C -0.912 173.694 174.600 0.009 0.000 1.251 147 S CA -0.480 57.727 58.200 0.012 0.000 1.153 147 S CB 0.408 63.615 63.200 0.012 0.000 1.009 147 S HN -0.451 7.860 8.310 0.002 0.000 0.479 148 G N 3.699 112.507 108.800 0.012 0.000 2.357 148 G HA2 -0.155 3.820 3.960 0.025 0.000 0.289 148 G HA3 -0.155 3.811 3.960 0.010 0.000 0.289 148 G C -2.624 172.285 174.900 0.014 0.000 1.302 148 G CA -0.286 44.824 45.100 0.016 0.000 0.936 148 G HN -0.275 8.025 8.290 0.016 0.000 0.513 149 T N -0.080 114.490 114.554 0.028 0.000 2.890 149 T HA 0.157 4.655 4.350 -0.019 -0.160 0.295 149 T C -1.600 173.126 174.700 0.042 0.000 0.993 149 T CA 0.043 62.172 62.100 0.049 0.000 0.979 149 T CB 1.952 70.911 68.868 0.152 0.000 0.967 149 T HN -0.107 8.153 8.240 0.034 0.000 0.441 150 S N 6.313 121.973 115.700 -0.066 0.000 2.737 150 S HA 0.222 4.747 4.470 0.091 0.000 0.269 150 S C -2.186 172.341 174.600 -0.120 0.000 1.150 150 S CA 0.208 58.402 58.200 -0.009 0.000 1.077 150 S CB 1.223 64.410 63.200 -0.023 0.000 1.075 150 S HN 0.542 9.075 8.310 -0.244 -0.369 0.476 151 Y N 5.824 126.156 120.300 0.052 0.000 2.328 151 Y HA 0.244 4.841 4.550 0.079 0.000 0.337 151 Y C -1.099 174.842 175.900 0.069 0.000 1.008 151 Y CA -2.752 55.391 58.100 0.071 0.000 1.129 151 Y CB 0.950 39.457 38.460 0.079 0.000 1.185 151 Y HN 0.121 8.601 8.280 0.333 0.000 0.476 152 P HA 0.373 4.861 4.420 0.113 0.000 0.278 152 P C -1.647 175.776 177.300 0.205 0.000 1.258 152 P CA -0.708 62.479 63.100 0.145 0.000 0.811 152 P CB 2.135 33.886 31.700 0.084 0.000 1.063 153 D N -1.500 119.002 120.400 0.169 0.000 2.388 153 D HA -0.052 4.672 4.640 0.139 0.000 0.208 153 D C -1.449 175.019 176.300 0.281 0.000 1.035 153 D CA 0.891 54.991 54.000 0.167 0.000 0.875 153 D CB 0.942 41.798 40.800 0.092 0.000 0.984 153 D HN 0.422 8.870 8.370 0.129 0.000 0.508 154 V N -7.515 112.551 119.914 0.253 0.000 2.975 154 V HA 0.658 5.268 4.120 0.389 -0.256 0.318 154 V C -0.883 175.237 176.094 0.044 0.000 1.077 154 V CA -2.923 59.521 62.300 0.240 0.000 1.000 154 V CB 2.237 34.122 31.823 0.103 0.000 1.066 154 V HN -0.963 7.331 8.190 0.173 0.000 0.452 155 L N 1.899 123.014 121.223 -0.181 0.000 2.455 155 L HA -0.039 3.523 4.340 -1.297 0.000 0.272 155 L C -0.328 176.289 176.870 -0.421 0.000 1.174 155 L CA 0.780 55.198 54.840 -0.703 0.000 0.869 155 L CB 0.676 42.315 42.059 -0.700 0.000 1.130 155 L HN -0.164 8.270 8.230 0.021 -0.191 0.474 156 K N 5.438 125.566 120.400 -0.454 0.000 2.203 156 K HA 0.728 5.014 4.320 -0.337 -0.168 0.251 156 K C -1.274 175.070 176.600 -0.427 0.000 0.944 156 K CA -2.636 53.437 56.287 -0.356 0.000 0.829 156 K CB 2.791 35.145 32.500 -0.243 0.000 1.125 156 K HN 0.027 7.935 8.250 -0.570 0.000 0.430 157 c N -0.472 117.773 118.600 -0.591 0.000 2.707 157 c HA 1.006 5.522 4.570 -0.401 -0.185 0.313 157 c C -1.805 171.907 174.090 -0.631 0.000 1.209 157 c CA -0.829 55.102 56.329 -0.664 0.000 1.635 157 c CB 3.651 45.609 42.510 -0.920 0.000 2.206 157 c HN 0.804 8.611 8.230 -0.705 0.000 0.485 158 L N 1.053 122.115 121.223 -0.268 0.000 2.505 158 L HA 0.457 4.823 4.340 0.045 0.000 0.266 158 L C -2.529 174.402 176.870 0.102 0.000 0.954 158 L CA 0.084 54.913 54.840 -0.018 0.000 0.852 158 L CB 4.397 46.466 42.059 0.016 0.000 1.282 158 L HN 0.837 8.946 8.230 -0.201 0.000 0.403 159 K N 6.604 127.129 120.400 0.208 0.000 2.183 159 K HA 0.883 5.506 4.320 0.127 -0.227 0.274 159 K C -1.038 175.696 176.600 0.224 0.000 1.009 159 K CA -0.860 55.536 56.287 0.181 0.000 0.888 159 K CB 1.536 34.147 32.500 0.184 0.000 1.078 159 K HN 0.332 8.742 8.250 0.267 0.000 0.459 160 A N 3.559 126.452 122.820 0.121 0.000 2.574 160 A HA 0.673 5.032 4.320 0.064 0.000 0.297 160 A C -3.427 174.096 177.584 -0.102 0.000 1.062 160 A CA -2.531 49.517 52.037 0.019 0.000 0.686 160 A CB 3.025 22.038 19.000 0.022 0.000 1.285 160 A HN 0.680 8.868 8.150 0.063 0.000 0.403 161 P HA 0.702 5.262 4.420 -0.104 -0.202 0.285 161 P C -1.167 176.054 177.300 -0.132 0.000 1.269 161 P CA -1.527 61.480 63.100 -0.154 0.000 0.844 161 P CB 1.708 33.314 31.700 -0.156 0.000 1.094 162 I N -0.426 120.086 120.570 -0.097 0.000 2.529 162 I HA -0.036 4.271 4.170 0.042 -0.112 0.284 162 I C 0.201 176.293 176.117 -0.041 0.000 1.082 162 I CA 0.522 61.792 61.300 -0.051 0.000 1.406 162 I CB 0.492 38.393 38.000 -0.166 0.000 1.405 162 I HN -0.012 8.134 8.210 -0.107 0.000 0.548 163 L N 6.232 127.465 121.223 0.017 0.000 2.387 163 L HA 0.288 4.610 4.340 -0.029 0.000 0.266 163 L C -0.484 176.399 176.870 0.022 0.000 1.059 163 L CA -1.096 53.746 54.840 0.004 0.000 0.801 163 L CB 0.874 42.945 42.059 0.019 0.000 1.223 163 L HN 0.267 8.553 8.230 0.094 0.000 0.456 164 S N -0.338 115.368 115.700 0.011 0.000 2.579 164 S HA -0.076 4.398 4.470 0.007 0.000 0.275 164 S C 0.623 175.247 174.600 0.039 0.000 1.345 164 S CA -0.554 57.655 58.200 0.015 0.000 1.031 164 S CB 1.065 64.269 63.200 0.007 0.000 0.892 164 S HN 0.177 8.488 8.310 0.001 0.000 0.529 165 D N 2.626 123.052 120.400 0.042 0.000 2.178 165 D HA -0.257 4.434 4.640 0.084 0.000 0.201 165 D C 1.914 178.246 176.300 0.053 0.000 0.980 165 D CA 3.569 57.606 54.000 0.061 0.000 0.842 165 D CB -0.398 40.436 40.800 0.056 0.000 0.948 165 D HN 0.523 8.910 8.370 0.029 0.000 0.472 166 S N -0.951 114.770 115.700 0.036 0.000 2.368 166 S HA -0.319 4.172 4.470 0.035 0.000 0.225 166 S C 1.809 176.426 174.600 0.029 0.000 1.030 166 S CA 3.508 61.726 58.200 0.030 0.000 0.999 166 S CB -0.249 62.962 63.200 0.019 0.000 0.844 166 S HN 0.177 8.491 8.310 0.029 0.013 0.459 167 S N 2.771 118.486 115.700 0.025 0.000 2.428 167 S HA -0.003 4.470 4.470 0.006 0.000 0.230 167 S C 1.910 176.525 174.600 0.025 0.000 1.014 167 S CA 2.816 61.025 58.200 0.015 0.000 0.957 167 S CB -0.260 62.945 63.200 0.009 0.000 0.784 167 S HN -0.538 7.787 8.310 0.025 0.000 0.499 168 c N 3.758 122.392 118.600 0.057 0.000 2.453 168 c HA -0.231 4.406 4.570 0.111 0.000 0.277 168 c C 1.913 176.082 174.090 0.132 0.000 1.262 168 c CA 2.839 59.230 56.329 0.104 0.000 1.718 168 c CB -1.822 40.754 42.510 0.111 0.000 2.031 168 c HN -0.306 7.848 8.230 0.056 0.109 0.480 169 K N -0.865 119.597 120.400 0.103 0.000 2.148 169 K HA -0.310 4.104 4.320 0.156 0.000 0.204 169 K C 2.138 178.782 176.600 0.072 0.000 1.050 169 K CA 3.090 59.442 56.287 0.108 0.000 0.942 169 K CB -0.017 32.531 32.500 0.081 0.000 0.724 169 K HN 0.163 8.462 8.250 0.083 0.000 0.446 170 S N -0.980 114.739 115.700 0.032 0.000 2.402 170 S HA -0.239 4.239 4.470 0.012 0.000 0.229 170 S C 0.956 175.525 174.600 -0.051 0.000 1.021 170 S CA 2.877 61.077 58.200 -0.000 0.000 0.974 170 S CB -0.055 63.139 63.200 -0.009 0.000 0.800 170 S HN -0.285 8.043 8.310 0.030 0.000 0.484 171 A N -0.513 122.241 122.820 -0.110 0.000 1.929 171 A HA -0.069 4.077 4.320 -0.289 0.000 0.216 171 A C -0.740 176.546 177.584 -0.496 0.000 1.176 171 A CA 1.802 53.625 52.037 -0.356 0.000 0.628 171 A CB 0.793 19.487 19.000 -0.510 0.000 0.816 171 A HN -0.781 7.314 8.150 -0.056 0.021 0.444 172 Y N -5.280 115.055 120.300 0.058 0.000 2.658 172 Y HA 0.501 5.122 4.550 0.119 0.000 0.362 172 Y C -2.534 173.428 175.900 0.103 0.000 1.017 172 Y CA -3.207 54.962 58.100 0.115 0.000 1.134 172 Y CB -0.079 38.498 38.460 0.196 0.000 1.144 172 Y HN -0.632 7.688 8.280 0.066 0.000 0.655 173 P HA -0.086 4.491 4.420 0.103 -0.096 0.263 173 P C 0.832 178.201 177.300 0.114 0.000 1.195 173 P CA 1.004 64.171 63.100 0.111 0.000 0.762 173 P CB 0.118 31.856 31.700 0.063 0.000 0.799 174 G N 4.040 112.898 108.800 0.097 0.000 2.166 174 G HA2 -0.376 3.622 3.960 0.064 0.000 0.260 174 G HA3 -0.376 3.617 3.960 0.055 0.000 0.260 174 G C 0.058 175.010 174.900 0.086 0.000 0.986 174 G CA 0.847 45.992 45.100 0.074 0.000 0.683 174 G HN 0.567 8.911 8.290 0.091 0.000 0.527 175 Q N -2.525 117.363 119.800 0.148 0.000 2.245 175 Q HA 0.085 4.465 4.340 0.067 0.000 0.236 175 Q C -0.457 175.677 176.000 0.224 0.000 0.842 175 Q CA -0.292 55.606 55.803 0.159 0.000 0.945 175 Q CB 1.636 30.516 28.738 0.237 0.000 1.122 175 Q HN -0.324 8.005 8.270 0.186 0.053 0.506 176 I N 0.105 120.802 120.570 0.211 0.000 2.353 176 I HA 0.055 4.372 4.170 0.245 0.000 0.293 176 I C -0.081 176.113 176.117 0.130 0.000 0.992 176 I CA -2.287 59.128 61.300 0.191 0.000 1.268 176 I CB -0.447 37.652 38.000 0.166 0.000 1.387 176 I HN -0.516 7.807 8.210 0.189 0.000 0.478 177 T N 2.088 116.715 114.554 0.123 0.000 2.922 177 T HA 0.390 4.783 4.350 0.071 0.000 0.281 177 T C 0.693 175.445 174.700 0.087 0.000 1.005 177 T CA -2.173 59.978 62.100 0.086 0.000 0.982 177 T CB 2.552 71.464 68.868 0.073 0.000 1.158 177 T HN -0.391 7.938 8.240 0.149 0.000 0.566 178 S N -1.814 113.923 115.700 0.062 0.000 2.555 178 S HA -0.216 4.295 4.470 0.068 0.000 0.230 178 S C 0.376 175.018 174.600 0.070 0.000 0.978 178 S CA 2.033 60.267 58.200 0.056 0.000 0.934 178 S CB -0.265 62.950 63.200 0.025 0.000 0.766 178 S HN 0.297 8.635 8.310 0.047 0.000 0.533 179 N N 0.637 119.390 118.700 0.088 0.000 2.276 179 N HA 0.150 4.950 4.740 0.101 0.000 0.212 179 N C -1.662 173.966 175.510 0.196 0.000 1.127 179 N CA -0.327 52.804 53.050 0.135 0.000 0.834 179 N CB 0.711 39.297 38.487 0.165 0.000 1.014 179 N HN -0.598 7.756 8.380 0.085 0.077 0.491 180 M N -1.511 118.192 119.600 0.171 0.000 2.593 180 M HA 0.807 5.552 4.480 0.100 -0.205 0.290 180 M C -2.166 174.252 176.300 0.196 0.000 1.244 180 M CA -0.371 55.008 55.300 0.131 0.000 0.857 180 M CB 5.195 37.846 32.600 0.085 0.000 1.738 180 M HN -0.711 7.578 8.290 0.151 0.091 0.461 181 F N -5.282 114.708 119.950 0.066 0.000 2.668 181 F HA 0.621 5.173 4.527 0.041 0.000 0.309 181 F C -2.696 173.153 175.800 0.083 0.000 1.117 181 F CA -1.965 56.071 58.000 0.060 0.000 0.951 181 F CB 2.209 41.242 39.000 0.056 0.000 1.323 181 F HN 0.077 8.238 8.300 -0.232 0.000 0.451 182 c N -0.123 118.632 118.600 0.258 0.000 2.391 182 c HA 1.013 5.825 4.570 0.076 -0.196 0.339 182 c C -1.160 173.111 174.090 0.300 0.000 1.205 182 c CA -1.146 55.286 56.329 0.172 0.000 1.937 182 c CB 2.971 45.546 42.510 0.107 0.000 2.341 182 c HN 0.866 9.292 8.230 0.327 0.000 0.516 183 A N 2.567 125.548 122.820 0.269 0.000 2.446 183 A HA 0.666 5.165 4.320 0.070 -0.138 0.282 183 A C -2.256 175.378 177.584 0.083 0.000 1.102 183 A CA -0.604 51.504 52.037 0.119 0.000 0.737 183 A CB 2.821 21.775 19.000 -0.077 0.000 1.212 183 A HN 0.459 8.811 8.150 0.338 0.000 0.434 184 Y N 2.961 123.291 120.300 0.051 0.000 2.436 184 Y HA 0.049 4.645 4.550 0.031 -0.027 0.343 184 Y C 1.128 177.044 175.900 0.027 0.000 1.008 184 Y CA -0.211 57.910 58.100 0.034 0.000 1.241 184 Y CB 0.287 38.766 38.460 0.030 0.000 1.153 184 Y HN 0.308 8.714 8.280 0.209 0.000 0.521 185 L N 4.224 125.513 121.223 0.110 0.000 2.362 185 L HA -0.339 4.031 4.340 0.050 0.000 0.219 185 L C 0.955 177.867 176.870 0.070 0.000 1.134 185 L CA 2.344 57.222 54.840 0.064 0.000 0.807 185 L CB -0.480 41.597 42.059 0.030 0.000 0.927 185 L HN 0.561 8.839 8.230 0.081 0.000 0.447 186 E N -2.537 117.724 120.200 0.102 0.000 2.347 186 E HA -0.112 4.266 4.350 0.046 0.000 0.196 186 E C 0.823 177.460 176.600 0.061 0.000 1.008 186 E CA 0.259 56.700 56.400 0.069 0.000 0.852 186 E CB -0.377 29.364 29.700 0.068 0.000 0.783 186 E HN 0.160 8.563 8.360 0.148 0.046 0.505 187 G N 0.873 109.728 108.800 0.092 0.000 3.436 187 G HA2 -0.379 3.635 3.960 0.091 0.000 0.685 187 G HA3 -0.379 3.655 3.960 0.048 -0.046 0.685 187 G C -0.879 174.048 174.900 0.046 0.000 1.039 187 G CA -0.289 44.854 45.100 0.072 0.000 0.879 187 G HN -0.525 7.683 8.290 0.141 0.166 0.478 188 K N 2.045 122.446 120.400 0.001 0.000 6.706 188 K HA -0.597 3.975 4.320 0.009 -0.247 0.669 188 K C -1.268 175.423 176.600 0.152 0.000 2.465 188 K CA 0.874 57.180 56.287 0.031 0.000 1.801 188 K CB 0.133 32.566 32.500 -0.112 0.000 1.883 188 K HN 0.220 8.494 8.250 0.040 0.000 0.285 189 D N 0.391 120.863 120.400 0.119 0.000 2.764 189 D HA 0.263 5.017 4.640 0.190 0.000 0.293 189 D C -1.862 174.502 176.300 0.105 0.000 1.287 189 D CA -0.630 53.452 54.000 0.138 0.000 0.768 189 D CB 3.757 44.621 40.800 0.106 0.000 1.288 189 D HN -0.036 8.380 8.370 0.076 0.000 0.426 190 S N -1.460 114.316 115.700 0.127 0.000 2.713 190 S HA 0.261 4.778 4.470 0.078 0.000 0.277 190 S C -1.477 173.160 174.600 0.062 0.000 1.168 190 S CA -0.295 57.968 58.200 0.104 0.000 0.994 190 S CB 1.702 65.003 63.200 0.168 0.000 1.054 190 S HN 0.263 8.668 8.310 0.159 0.000 0.555 191 c N -1.618 117.019 118.600 0.061 0.000 3.293 191 c HA 0.254 4.854 4.570 0.051 0.000 0.362 191 c C -1.258 172.892 174.090 0.101 0.000 1.539 191 c CA -0.969 55.393 56.329 0.055 0.000 1.201 191 c CB 2.758 45.277 42.510 0.014 0.000 1.770 191 c HN 0.345 8.887 8.230 0.077 -0.267 0.440 192 Q N 1.136 121.009 119.800 0.121 0.000 2.364 192 Q HA -0.095 4.365 4.340 0.199 0.000 0.267 192 Q C 0.717 176.891 176.000 0.289 0.000 0.999 192 Q CA 0.840 56.764 55.803 0.201 0.000 0.886 192 Q CB -0.051 28.814 28.738 0.211 0.000 1.243 192 Q HN 0.539 8.865 8.270 0.093 0.000 0.415 193 G N 3.963 112.956 108.800 0.322 0.000 2.238 193 G HA2 -0.400 3.781 3.960 0.367 0.000 0.217 193 G HA3 -0.400 3.909 3.960 0.581 0.000 0.217 193 G C 0.431 175.567 174.900 0.394 0.000 0.996 193 G CA 0.992 46.349 45.100 0.428 0.000 0.632 193 G HN 0.785 9.241 8.290 0.278 0.000 0.503 194 D N 1.269 121.830 120.400 0.269 0.000 2.346 194 D HA 0.090 4.879 4.640 0.248 0.000 0.206 194 D C 0.163 176.570 176.300 0.180 0.000 1.001 194 D CA 0.723 54.850 54.000 0.212 0.000 0.871 194 D CB 0.604 41.489 40.800 0.141 0.000 0.943 194 D HN -0.100 8.302 8.370 0.235 0.109 0.518 195 S N -0.426 115.383 115.700 0.183 0.000 2.599 195 S HA -0.577 4.143 4.470 0.190 -0.136 0.303 195 S C 0.944 175.577 174.600 0.054 0.000 1.267 195 S CA 2.869 61.165 58.200 0.160 0.000 1.055 195 S CB 0.102 63.437 63.200 0.224 0.000 0.790 195 S HN -0.405 7.988 8.310 0.210 0.043 0.500 196 G N 4.720 113.544 108.800 0.040 0.000 2.253 196 G HA2 -0.467 3.559 3.960 -0.001 0.000 0.251 196 G HA3 -0.467 3.578 3.960 -0.043 -0.110 0.251 196 G C -0.090 174.855 174.900 0.075 0.000 0.998 196 G CA 0.151 45.257 45.100 0.010 0.000 0.621 196 G HN 0.773 9.012 8.290 0.090 0.106 0.524 197 G N 1.026 109.894 108.800 0.113 0.000 2.651 197 G HA2 0.294 4.404 3.960 0.139 0.000 0.260 197 G HA3 0.294 4.335 3.960 0.135 0.000 0.260 197 G C -2.593 172.397 174.900 0.150 0.000 1.216 197 G CA -1.879 43.303 45.100 0.136 0.000 0.913 197 G HN -0.264 8.007 8.290 0.119 0.090 0.535 198 P HA 0.304 4.929 4.420 0.140 -0.122 0.281 198 P C -1.617 175.758 177.300 0.125 0.000 1.249 198 P CA -0.780 62.417 63.100 0.161 0.000 0.810 198 P CB 1.538 33.389 31.700 0.252 0.000 1.008 199 V N 2.331 122.298 119.914 0.089 0.000 2.419 199 V HA 0.332 4.636 4.120 0.007 -0.180 0.287 199 V C -1.287 174.822 176.094 0.025 0.000 1.017 199 V CA -0.502 61.815 62.300 0.027 0.000 0.844 199 V CB 1.933 33.746 31.823 -0.016 0.000 1.011 199 V HN -0.209 8.037 8.190 0.093 0.000 0.429 200 V N 8.035 127.954 119.914 0.008 0.000 2.459 200 V HA 0.703 4.987 4.120 -0.063 -0.202 0.295 200 V C -1.306 174.772 176.094 -0.027 0.000 1.029 200 V CA -1.376 60.899 62.300 -0.041 0.000 0.874 200 V CB 3.017 34.788 31.823 -0.086 0.000 0.985 200 V HN 0.606 8.815 8.190 0.032 0.000 0.438 201 c N 6.317 124.887 118.600 -0.049 0.000 2.482 201 c HA 0.610 5.159 4.570 -0.035 0.000 0.317 201 c C 0.614 174.675 174.090 -0.050 0.000 1.197 201 c CA -1.649 54.648 56.329 -0.052 0.000 1.432 201 c CB 2.053 44.510 42.510 -0.088 0.000 2.062 201 c HN 0.630 8.823 8.230 -0.060 0.000 0.471 202 S N 5.417 121.096 115.700 -0.035 0.000 3.549 202 S HA -0.389 4.070 4.470 -0.019 0.000 0.366 202 S C 0.120 174.702 174.600 -0.030 0.000 1.012 202 S CA 1.261 59.443 58.200 -0.029 0.000 1.141 202 S CB -0.913 62.265 63.200 -0.037 0.000 0.910 202 S HN 1.205 9.499 8.310 -0.026 0.000 0.471 203 G N -4.918 103.864 108.800 -0.030 0.000 2.155 203 G HA2 -0.363 3.576 3.960 -0.035 0.000 0.257 203 G HA3 -0.363 3.581 3.960 -0.026 0.000 0.257 203 G C -0.806 174.051 174.900 -0.072 0.000 0.983 203 G CA 0.393 45.469 45.100 -0.040 0.000 0.676 203 G HN 0.418 8.676 8.290 -0.023 0.018 0.528 210 Q N 1.117 120.939 119.800 0.036 0.000 2.392 210 Q HA 0.211 4.590 4.340 0.065 0.000 0.219 210 Q C -0.287 175.882 176.000 0.282 0.000 0.895 210 Q CA 0.099 55.946 55.803 0.074 0.000 0.929 210 Q CB 2.708 31.404 28.738 -0.070 0.000 1.077 210 Q HN 0.399 8.680 8.270 0.019 0.000 0.532 211 G N -2.899 106.078 108.800 0.296 0.000 2.695 211 G HA2 0.589 5.054 3.960 0.417 0.000 0.290 211 G HA3 0.589 4.824 3.960 0.458 0.000 0.290 211 G C -3.267 171.765 174.900 0.220 0.000 1.410 211 G CA -0.550 44.771 45.100 0.368 0.000 0.844 211 G HN -0.365 8.033 8.290 0.180 0.000 0.478 212 I N -1.154 119.541 120.570 0.209 0.000 2.498 212 I HA 0.542 5.031 4.170 0.173 -0.215 0.290 212 I C -0.454 175.790 176.117 0.211 0.000 1.032 212 I CA -1.386 60.019 61.300 0.175 0.000 1.073 212 I CB 4.300 42.365 38.000 0.107 0.000 1.251 212 I HN -0.399 7.926 8.210 0.192 0.000 0.426 213 V N 7.449 127.499 119.914 0.227 0.000 2.458 213 V HA -0.230 3.899 4.120 0.015 0.000 0.287 213 V C -1.138 174.987 176.094 0.052 0.000 1.009 213 V CA 2.111 64.485 62.300 0.122 0.000 1.091 213 V CB -1.108 30.815 31.823 0.168 0.000 0.960 213 V HN 0.364 8.680 8.190 0.209 0.000 0.476 214 S N 8.436 124.063 115.700 -0.121 0.000 3.142 214 S HA 0.357 5.023 4.470 0.328 0.000 0.223 214 S C -1.091 173.575 174.600 0.109 0.000 0.939 214 S CA 0.575 58.835 58.200 0.101 0.000 0.826 214 S CB 1.984 65.238 63.200 0.090 0.000 0.823 214 S HN -0.034 7.992 8.310 -0.473 0.000 0.612 215 W N -3.474 117.644 121.300 -0.303 0.000 2.874 215 W HA 0.298 4.820 4.660 -0.229 0.000 0.403 215 W C -2.792 173.544 176.519 -0.306 0.000 1.144 215 W CA -0.920 56.255 57.345 -0.284 0.000 1.175 215 W CB 1.680 30.969 29.460 -0.285 0.000 1.483 215 W HN 0.028 7.903 8.180 -0.509 0.000 0.591 216 G N -2.551 106.300 108.800 0.086 0.000 2.340 216 G HA2 0.145 3.814 3.960 -0.484 0.000 0.299 216 G HA3 0.145 4.037 3.960 -0.112 0.000 0.299 216 G C -2.283 172.741 174.900 0.206 0.000 1.291 216 G CA 0.207 45.253 45.100 -0.090 0.000 0.841 216 G HN -0.018 8.502 8.290 0.385 0.000 0.500 220 c N 1.798 120.430 118.600 0.054 0.000 3.471 220 c HA 0.307 5.059 4.570 0.053 -0.150 0.191 220 c C -1.378 172.739 174.090 0.044 0.000 1.480 220 c CA -1.082 55.275 56.329 0.047 0.000 1.281 220 c CB -1.438 41.090 42.510 0.031 0.000 1.898 220 c HN 0.307 8.566 8.230 0.049 0.000 0.533 221 Q N -2.026 117.803 119.800 0.050 0.000 2.939 221 Q HA 0.094 4.453 4.340 0.031 0.000 0.274 221 Q C -1.477 174.544 176.000 0.034 0.000 0.941 221 Q CA -0.713 55.112 55.803 0.038 0.000 0.824 221 Q CB 2.272 31.033 28.738 0.037 0.000 1.779 221 Q HN -0.063 8.242 8.270 0.058 0.000 0.470 222 K N 3.784 124.198 120.400 0.023 0.000 2.401 222 K HA -0.270 4.186 4.320 0.030 -0.118 0.278 222 K C -0.047 176.550 176.600 -0.003 0.000 1.018 222 K CA 0.831 57.129 56.287 0.017 0.000 0.981 222 K CB 0.199 32.706 32.500 0.012 0.000 0.933 222 K HN 0.249 8.511 8.250 0.020 0.000 0.477 223 N N 2.765 121.460 118.700 -0.008 0.000 2.708 223 N HA -0.471 4.247 4.740 -0.037 0.000 0.251 223 N C -1.603 173.841 175.510 -0.110 0.000 1.123 223 N CA 1.946 54.967 53.050 -0.049 0.000 0.739 223 N CB -0.814 37.636 38.487 -0.061 0.000 1.113 223 N HN 0.816 9.085 8.380 0.012 0.118 0.561 224 K N -1.479 118.887 120.400 -0.057 0.000 2.842 224 K HA 0.531 4.698 4.320 -0.256 0.000 0.176 224 K C -2.385 174.262 176.600 0.079 0.000 1.080 224 K CA -3.709 52.546 56.287 -0.054 0.000 0.954 224 K CB 0.342 32.853 32.500 0.018 0.000 1.203 224 K HN -0.760 7.433 8.250 -0.007 0.054 0.611 225 P HA -0.085 4.396 4.420 0.102 0.000 0.273 225 P C -0.814 176.529 177.300 0.071 0.000 1.250 225 P CA -0.376 62.787 63.100 0.104 0.000 0.793 225 P CB 1.120 32.872 31.700 0.087 0.000 1.011 226 G N -2.843 105.975 108.800 0.030 0.000 2.507 226 G HA2 0.290 4.069 3.960 -0.302 0.000 0.271 226 G HA3 0.290 4.120 3.960 -0.216 0.000 0.271 226 G C -1.601 173.003 174.900 -0.493 0.000 1.189 226 G CA -0.757 44.197 45.100 -0.243 0.000 0.859 226 G HN -0.446 7.921 8.290 0.129 0.000 0.542 227 V N 1.301 120.603 119.914 -1.021 0.000 2.555 227 V HA 0.655 4.536 4.120 -0.684 -0.171 0.302 227 V C -0.946 174.388 176.094 -1.267 0.000 1.038 227 V CA -1.059 60.575 62.300 -1.110 0.000 0.887 227 V CB 2.231 32.926 31.823 -1.879 0.000 0.991 227 V HN 0.510 8.068 8.190 -1.053 0.000 0.434 228 Y N 4.914 124.804 120.300 -0.683 0.000 2.499 228 Y HA 0.607 5.086 4.550 -0.366 -0.149 0.347 228 Y C 0.268 175.885 175.900 -0.471 0.000 0.987 228 Y CA -2.322 55.395 58.100 -0.639 0.000 1.044 228 Y CB 3.792 41.601 38.460 -1.085 0.000 1.245 228 Y HN 1.018 8.916 8.280 -0.637 0.000 0.461 229 T N 4.727 119.250 114.554 -0.053 0.000 2.870 229 T HA 0.001 4.554 4.350 0.109 -0.138 0.300 229 T C -0.684 174.157 174.700 0.235 0.000 0.989 229 T CA 1.550 63.705 62.100 0.092 0.000 1.139 229 T CB 0.516 69.427 68.868 0.071 0.000 0.920 229 T HN 0.448 8.686 8.240 -0.004 0.000 0.537 230 K N 8.124 128.746 120.400 0.371 0.000 2.150 230 K HA 0.185 5.063 4.320 0.723 -0.124 0.261 230 K C 1.040 177.899 176.600 0.431 0.000 1.127 230 K CA -0.839 55.746 56.287 0.498 0.000 0.989 230 K CB -0.275 32.476 32.500 0.417 0.000 1.475 230 K HN 0.043 8.399 8.250 0.337 0.097 0.391 231 V N 5.940 126.092 119.914 0.396 0.000 2.453 231 V HA -0.544 3.893 4.120 0.529 0.000 0.252 231 V C 1.367 177.628 176.094 0.278 0.000 1.068 231 V CA 3.934 66.457 62.300 0.371 0.000 1.070 231 V CB -0.297 31.669 31.823 0.238 0.000 0.664 231 V HN 0.206 8.638 8.190 0.403 0.000 0.461 232 c N -3.887 114.810 118.600 0.162 0.000 2.409 232 c HA -0.206 4.409 4.570 0.075 0.000 0.284 232 c C 1.514 175.624 174.090 0.033 0.000 1.354 232 c CA 1.512 57.886 56.329 0.075 0.000 1.787 232 c CB -2.076 40.448 42.510 0.023 0.000 1.900 232 c HN 0.488 8.794 8.230 0.159 0.020 0.520 233 N N 0.664 119.352 118.700 -0.021 0.000 2.467 233 N HA -0.059 4.593 4.740 -0.148 0.000 0.184 233 N C 0.242 175.530 175.510 -0.371 0.000 1.106 233 N CA 1.024 53.928 53.050 -0.242 0.000 0.892 233 N CB -0.048 38.168 38.487 -0.453 0.000 0.969 233 N HN -0.382 7.990 8.380 0.058 0.043 0.454 234 Y N -4.443 115.938 120.300 0.135 0.000 2.531 234 Y HA 0.168 4.877 4.550 0.265 0.000 0.249 234 Y C 0.113 176.157 175.900 0.241 0.000 1.168 234 Y CA -0.755 57.488 58.100 0.238 0.000 1.226 234 Y CB -0.142 38.498 38.460 0.300 0.000 1.177 234 Y HN -0.030 8.175 8.280 0.187 0.188 0.527 235 V N 0.712 120.766 119.914 0.233 0.000 2.332 235 V HA -0.541 3.666 4.120 0.146 0.000 0.248 235 V C 1.523 177.683 176.094 0.110 0.000 1.055 235 V CA 5.050 67.436 62.300 0.144 0.000 1.038 235 V CB -0.526 31.345 31.823 0.078 0.000 0.651 235 V HN -0.577 7.712 8.190 0.165 0.000 0.450 236 S N -0.096 115.675 115.700 0.117 0.000 2.368 236 S HA -0.325 4.166 4.470 0.035 0.000 0.225 236 S C 1.865 176.534 174.600 0.114 0.000 1.030 236 S CA 2.824 61.076 58.200 0.086 0.000 0.999 236 S CB -0.417 62.832 63.200 0.082 0.000 0.844 236 S HN -0.062 8.318 8.310 0.116 0.000 0.459 237 W N 4.185 125.522 121.300 0.061 0.000 2.358 237 W HA -0.154 4.521 4.660 0.024 0.000 0.303 237 W C 1.642 178.168 176.519 0.011 0.000 1.208 237 W CA 2.844 60.227 57.345 0.063 0.000 1.274 237 W CB -0.106 29.466 29.460 0.187 0.000 1.138 237 W HN -0.377 8.034 8.180 0.384 0.000 0.515 238 I N -0.528 119.974 120.570 -0.114 0.000 2.142 238 I HA -0.764 2.883 4.170 -0.870 0.000 0.240 238 I C 1.807 177.665 176.117 -0.431 0.000 1.078 238 I CA 4.566 65.611 61.300 -0.425 0.000 1.343 238 I CB -0.257 37.673 38.000 -0.116 0.000 1.046 238 I HN 0.372 8.726 8.210 0.241 0.000 0.405 239 K N -1.256 119.003 120.400 -0.235 0.000 2.063 239 K HA -0.483 3.687 4.320 -0.250 0.000 0.208 239 K C 2.842 179.292 176.600 -0.250 0.000 1.048 239 K CA 3.846 60.003 56.287 -0.217 0.000 0.928 239 K CB -0.274 32.159 32.500 -0.111 0.000 0.713 239 K HN -0.071 8.104 8.250 -0.125 0.000 0.442 240 Q N -2.070 117.596 119.800 -0.223 0.000 2.079 240 Q HA -0.281 3.973 4.340 -0.144 0.000 0.200 240 Q C 2.545 178.372 176.000 -0.289 0.000 0.974 240 Q CA 3.551 59.238 55.803 -0.194 0.000 0.840 240 Q CB 0.028 28.701 28.738 -0.108 0.000 0.898 240 Q HN 0.047 8.207 8.270 -0.183 0.000 0.430 241 T N 2.456 116.719 114.554 -0.486 0.000 2.737 241 T HA -0.265 3.869 4.350 -0.361 0.000 0.265 241 T C 2.432 176.778 174.700 -0.589 0.000 1.038 241 T CA 4.942 66.707 62.100 -0.558 0.000 1.144 241 T CB -0.219 68.070 68.868 -0.965 0.000 0.866 241 T HN 0.029 7.918 8.240 -0.585 0.000 0.434 242 I N -2.052 118.033 120.570 -0.807 0.000 2.493 242 I HA -0.180 3.106 4.170 -1.474 0.000 0.254 242 I C 1.284 177.162 176.117 -0.397 0.000 1.160 242 I CA 2.986 63.658 61.300 -1.046 0.000 1.445 242 I CB -0.630 36.544 38.000 -1.377 0.000 1.086 242 I HN 0.044 7.790 8.210 -0.774 0.000 0.433 243 A N -0.503 122.149 122.820 -0.280 0.000 2.119 243 A HA -0.099 4.179 4.320 -0.071 0.000 0.217 243 A C 0.541 178.088 177.584 -0.061 0.000 1.153 243 A CA 1.729 53.695 52.037 -0.119 0.000 0.692 243 A CB -0.255 18.683 19.000 -0.104 0.000 0.799 243 A HN -0.240 7.692 8.150 -0.334 0.017 0.458 244 S N -3.303 112.347 115.700 -0.083 0.000 2.554 244 S HA 0.154 4.619 4.470 -0.009 0.000 0.226 244 S C -0.912 173.705 174.600 0.028 0.000 0.980 244 S CA 0.398 58.582 58.200 -0.027 0.000 0.939 244 S CB 0.738 63.911 63.200 -0.044 0.000 0.832 244 S HN -0.523 7.534 8.310 -0.159 0.158 0.486 245 N N 0.000 118.752 118.700 0.087 0.000 1.763 245 N HA 0.000 4.828 4.740 0.146 0.000 0.220 245 N CA 0.000 53.181 53.050 0.219 0.000 0.885 245 N CB 0.000 38.680 38.487 0.322 0.000 1.341 245 N HN 0.000 8.352 8.380 0.060 0.064 0.667