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 1c1n_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 4.172 4.170 0.003 0.000 0.288 16 I C 0.000 176.094 176.117 -0.038 0.000 1.063 16 I CA 0.000 61.282 61.300 -0.031 0.000 1.566 16 I CB 0.000 37.954 38.000 -0.077 0.000 1.214 17 V N 4.728 124.634 119.914 -0.013 0.000 2.459 17 V HA 0.285 4.516 4.120 -0.029 -0.128 0.295 17 V C 0.425 176.516 176.094 -0.005 0.000 1.029 17 V CA -1.728 60.564 62.300 -0.014 0.000 0.874 17 V CB 1.372 33.192 31.823 -0.004 0.000 0.985 17 V HN 0.810 9.006 8.190 0.010 0.000 0.438 18 G N 6.753 115.546 108.800 -0.012 0.000 2.160 18 G HA2 -0.389 3.564 3.960 -0.012 0.000 0.251 18 G HA3 -0.389 3.708 3.960 -0.027 -0.154 0.251 18 G C -0.679 174.229 174.900 0.013 0.000 1.008 18 G CA 0.459 45.552 45.100 -0.011 0.000 0.724 18 G HN 0.756 9.036 8.290 -0.016 0.000 0.514 19 G N -1.490 107.315 108.800 0.009 0.000 2.671 19 G HA2 0.552 4.554 3.960 0.100 0.000 0.275 19 G HA3 0.552 4.557 3.960 -0.091 -0.099 0.275 19 G C -1.810 173.135 174.900 0.075 0.000 1.368 19 G CA -1.177 43.931 45.100 0.014 0.000 1.044 19 G HN -0.675 7.574 8.290 -0.013 0.033 0.543 20 Y N -6.202 114.075 120.300 -0.038 0.000 2.634 20 Y HA 0.421 4.950 4.550 -0.034 0.000 0.340 20 Y C -1.782 174.088 175.900 -0.049 0.000 1.058 20 Y CA -2.833 55.245 58.100 -0.038 0.000 1.081 20 Y CB 1.263 39.704 38.460 -0.031 0.000 1.295 20 Y HN 0.368 8.210 8.280 -0.557 0.104 0.487 21 T N 2.675 117.284 114.554 0.093 0.000 2.779 21 T HA 0.028 4.467 4.350 -0.108 -0.154 0.296 21 T C 0.332 175.054 174.700 0.038 0.000 0.938 21 T CA 1.585 63.681 62.100 -0.006 0.000 1.119 21 T CB -0.131 68.761 68.868 0.039 0.000 0.891 21 T HN 0.178 8.531 8.240 0.188 0.000 0.526 22 c N 7.097 125.619 118.600 -0.130 0.000 2.413 22 c HA -0.158 4.405 4.570 -0.011 0.000 0.278 22 c C 0.115 174.231 174.090 0.042 0.000 1.224 22 c CA 1.173 57.461 56.329 -0.068 0.000 1.732 22 c CB -0.466 41.935 42.510 -0.181 0.000 2.050 22 c HN 0.573 8.673 8.230 -0.217 0.000 0.463 23 G N -4.147 104.651 108.800 -0.003 0.000 2.348 23 G HA2 -0.192 3.782 3.960 0.024 0.000 0.606 23 G HA3 -0.192 3.784 3.960 0.027 0.000 0.606 23 G C -2.741 172.155 174.900 -0.006 0.000 1.466 23 G CA -1.006 44.103 45.100 0.015 0.000 0.950 23 G HN -0.571 7.692 8.290 -0.045 0.000 0.657 24 A N 1.313 124.139 122.820 0.011 0.000 2.524 24 A HA -0.120 4.447 4.320 0.026 -0.231 0.250 24 A C -0.092 177.494 177.584 0.005 0.000 1.078 24 A CA 1.198 53.245 52.037 0.018 0.000 0.761 24 A CB -0.100 18.917 19.000 0.028 0.000 1.012 24 A HN 0.139 8.300 8.150 0.018 0.000 0.500 25 N N -1.625 117.075 118.700 0.000 0.000 2.727 25 N HA -0.370 4.355 4.740 -0.025 0.000 0.249 25 N C 0.087 175.572 175.510 -0.042 0.000 1.048 25 N CA 1.365 54.404 53.050 -0.018 0.000 0.714 25 N CB -1.096 37.392 38.487 0.003 0.000 0.959 25 N HN 0.506 8.895 8.380 0.014 0.000 0.544 26 T N -4.393 110.124 114.554 -0.063 0.000 3.044 26 T HA 0.046 4.380 4.350 -0.027 0.000 0.250 26 T C -0.458 174.174 174.700 -0.113 0.000 1.081 26 T CA 0.814 62.883 62.100 -0.052 0.000 1.040 26 T CB 0.885 69.743 68.868 -0.018 0.000 0.962 26 T HN -0.535 7.662 8.240 -0.073 0.000 0.506 27 V N 2.535 122.313 119.914 -0.227 0.000 2.271 27 V HA 0.365 4.164 4.120 -0.536 0.000 0.259 27 V C -1.038 174.701 176.094 -0.591 0.000 1.030 27 V CA -3.549 58.437 62.300 -0.523 0.000 0.957 27 V CB 0.725 32.250 31.823 -0.497 0.000 1.186 27 V HN -0.420 7.597 8.190 -0.192 0.058 0.471 28 P HA 0.050 4.490 4.420 -0.114 -0.089 0.230 28 P C -0.064 177.175 177.300 -0.102 0.000 1.158 28 P CA 1.572 64.578 63.100 -0.156 0.000 0.769 28 P CB 0.120 31.807 31.700 -0.022 0.000 0.807 29 Y N -5.783 114.543 120.300 0.044 0.000 2.466 29 Y HA 0.554 5.311 4.550 0.059 -0.172 0.272 29 Y C -0.718 175.222 175.900 0.066 0.000 1.169 29 Y CA -3.821 54.311 58.100 0.053 0.000 1.285 29 Y CB -1.470 37.017 38.460 0.045 0.000 1.078 29 Y HN -0.394 7.205 8.280 -1.033 0.062 0.523 30 Q N 2.674 122.385 119.800 -0.148 0.000 2.304 30 Q HA 0.249 4.809 4.340 0.145 -0.132 0.260 30 Q C -0.343 175.752 176.000 0.158 0.000 0.965 30 Q CA -0.004 55.809 55.803 0.017 0.000 0.898 30 Q CB 1.321 29.961 28.738 -0.164 0.000 1.196 30 Q HN -0.608 7.326 8.270 -0.445 0.069 0.402 31 V N 0.678 120.723 119.914 0.218 0.000 2.960 31 V HA 0.798 5.159 4.120 0.203 -0.119 0.315 31 V C -1.956 174.303 176.094 0.275 0.000 1.087 31 V CA -2.928 59.497 62.300 0.208 0.000 0.982 31 V CB 4.138 36.031 31.823 0.117 0.000 1.039 31 V HN 0.451 8.767 8.190 0.211 0.000 0.437 32 S N 1.739 117.506 115.700 0.112 0.000 2.519 32 S HA 0.430 5.144 4.470 0.197 -0.126 0.309 32 S C -1.342 173.159 174.600 -0.165 0.000 1.100 32 S CA -1.798 56.404 58.200 0.003 0.000 1.059 32 S CB 1.506 64.494 63.200 -0.353 0.000 1.008 32 S HN -0.081 8.260 8.310 0.052 0.000 0.478 33 L N 6.994 127.991 121.223 -0.376 0.000 2.275 33 L HA 0.495 4.781 4.340 -0.300 -0.126 0.288 33 L C -1.569 174.911 176.870 -0.651 0.000 1.046 33 L CA -0.761 53.746 54.840 -0.555 0.000 0.805 33 L CB 0.851 42.353 42.059 -0.929 0.000 1.193 33 L HN 0.953 8.917 8.230 -0.443 0.000 0.426 38 G N 0.103 108.676 108.800 -0.377 0.000 2.213 38 G HA2 -0.263 3.623 3.960 -0.124 0.000 0.226 38 G HA3 -0.263 3.643 3.960 -0.090 0.000 0.226 38 G C -1.761 173.108 174.900 -0.053 0.000 0.992 38 G CA 0.245 45.237 45.100 -0.180 0.000 0.632 38 G HN 0.209 8.585 8.290 -0.310 -0.272 0.511 39 Y N -7.178 113.100 120.300 -0.036 0.000 2.662 39 Y HA 0.199 4.713 4.550 -0.059 0.000 0.334 39 Y C -2.452 173.463 175.900 0.026 0.000 1.185 39 Y CA -3.420 54.664 58.100 -0.027 0.000 1.074 39 Y CB 0.816 39.260 38.460 -0.026 0.000 1.330 39 Y HN -1.270 6.587 8.280 -0.712 -0.005 0.458 40 H N 2.705 121.794 119.070 0.032 0.000 2.848 40 H HA -0.024 4.570 4.556 -0.223 -0.172 0.317 40 H C -0.391 175.029 175.328 0.153 0.000 1.046 40 H CA 0.033 56.035 56.048 -0.077 0.000 1.470 40 H CB 0.282 29.937 29.762 -0.178 0.000 1.483 40 H HN 0.339 8.748 8.280 0.214 0.000 0.548 41 F N 2.502 122.102 119.950 -0.584 0.000 2.819 41 F HA 0.314 4.787 4.527 -0.091 0.000 0.325 41 F C -1.609 173.962 175.800 -0.383 0.000 1.041 41 F CA -0.661 57.166 58.000 -0.287 0.000 1.184 41 F CB 1.629 40.585 39.000 -0.073 0.000 1.019 41 F HN 0.152 7.811 8.300 -1.067 0.000 0.590 42 c N -1.632 116.251 118.600 -1.195 0.000 3.311 42 c HA 0.363 4.803 4.570 -0.217 0.000 0.325 42 c C -1.666 172.208 174.090 -0.359 0.000 1.352 42 c CA -0.252 55.737 56.329 -0.567 0.000 1.308 42 c CB 4.050 46.294 42.510 -0.443 0.000 1.619 42 c HN -0.807 6.403 8.230 -1.699 0.000 0.469 43 G N -0.846 107.947 108.800 -0.011 0.000 2.552 43 G HA2 0.789 5.075 3.960 0.256 0.000 0.318 43 G HA3 0.789 4.893 3.960 0.239 0.000 0.318 43 G C -2.501 172.431 174.900 0.053 0.000 1.240 43 G CA -1.572 43.623 45.100 0.159 0.000 1.002 43 G HN 0.800 9.094 8.290 0.008 0.000 0.493 44 G N -3.885 104.980 108.800 0.109 0.000 2.559 44 G HA2 0.600 4.872 3.960 0.082 0.000 0.291 44 G HA3 0.600 4.599 3.960 0.066 0.000 0.291 44 G C -2.960 172.030 174.900 0.150 0.000 1.424 44 G CA 0.150 45.306 45.100 0.094 0.000 0.786 44 G HN -0.548 7.844 8.290 0.170 0.000 0.485 45 S N -0.654 115.137 115.700 0.151 0.000 2.521 45 S HA 0.873 5.704 4.470 0.266 -0.202 0.295 45 S C -1.425 173.277 174.600 0.169 0.000 1.098 45 S CA -0.906 57.411 58.200 0.196 0.000 0.999 45 S CB 3.841 67.135 63.200 0.158 0.000 1.034 45 S HN 0.437 8.823 8.310 0.127 0.000 0.483 46 L N 5.861 127.200 121.223 0.194 0.000 2.281 46 L HA 0.243 4.787 4.340 0.148 -0.115 0.285 46 L C -0.583 176.371 176.870 0.140 0.000 1.074 46 L CA -0.422 54.514 54.840 0.160 0.000 0.817 46 L CB 1.155 43.308 42.059 0.155 0.000 1.168 46 L HN 0.503 8.781 8.230 0.255 0.105 0.434 47 I N 0.171 120.821 120.570 0.134 0.000 3.854 47 I HA 0.384 4.743 4.170 0.068 -0.149 0.312 47 I C -0.817 175.360 176.117 0.100 0.000 1.273 47 I CA -0.095 61.263 61.300 0.096 0.000 1.298 47 I CB 0.810 38.858 38.000 0.079 0.000 1.071 47 I HN 0.451 8.758 8.210 0.162 0.000 0.428 48 N N -2.302 116.479 118.700 0.135 0.000 3.227 48 N HA 0.057 4.853 4.740 0.094 0.000 0.241 48 N C -0.485 175.099 175.510 0.125 0.000 1.480 48 N CA -0.429 52.694 53.050 0.123 0.000 0.886 48 N CB 1.139 39.704 38.487 0.130 0.000 1.406 48 N HN -0.851 7.625 8.380 0.160 0.000 0.514 49 S N -1.619 114.138 115.700 0.095 0.000 2.420 49 S HA -0.393 4.111 4.470 0.057 0.000 0.237 49 S C 1.015 175.637 174.600 0.037 0.000 1.023 49 S CA 2.787 61.025 58.200 0.063 0.000 0.991 49 S CB 0.036 63.263 63.200 0.045 0.000 0.792 49 S HN 0.486 8.848 8.310 0.088 0.000 0.488 50 Q N -2.384 117.448 119.800 0.053 0.000 2.246 50 Q HA 0.224 4.479 4.340 -0.142 0.000 0.222 50 Q C -1.049 174.782 176.000 -0.282 0.000 0.851 50 Q CA 0.268 55.998 55.803 -0.122 0.000 0.945 50 Q CB 1.257 29.895 28.738 -0.167 0.000 1.122 50 Q HN 0.041 8.356 8.270 0.137 0.037 0.508 51 W N -2.202 119.103 121.300 0.008 0.000 2.936 51 W HA 0.590 5.433 4.660 0.005 -0.180 0.338 51 W C -1.571 174.959 176.519 0.019 0.000 1.121 51 W CA -0.885 56.463 57.345 0.005 0.000 1.209 51 W CB 3.818 33.269 29.460 -0.015 0.000 1.420 51 W HN -0.516 7.810 8.180 0.245 0.000 0.516 52 V N 1.594 121.679 119.914 0.285 0.000 2.735 52 V HA 0.841 5.250 4.120 0.175 -0.185 0.310 52 V C -1.416 174.798 176.094 0.200 0.000 1.061 52 V CA -1.879 60.535 62.300 0.190 0.000 0.913 52 V CB 3.754 35.646 31.823 0.115 0.000 1.005 52 V HN 0.853 9.235 8.190 0.319 0.000 0.428 53 V N 1.921 121.926 119.914 0.152 0.000 2.513 53 V HA 0.957 5.329 4.120 0.156 -0.158 0.299 53 V C -1.595 174.561 176.094 0.104 0.000 1.035 53 V CA -2.712 59.669 62.300 0.135 0.000 0.889 53 V CB 2.024 33.916 31.823 0.116 0.000 0.988 53 V HN 0.425 8.699 8.190 0.140 0.000 0.440 54 S N 4.021 119.772 115.700 0.085 0.000 2.880 54 S HA 0.562 5.247 4.470 0.048 -0.186 0.308 54 S C -1.832 172.770 174.600 0.003 0.000 1.195 54 S CA -2.361 55.862 58.200 0.039 0.000 0.866 54 S CB 2.394 65.603 63.200 0.015 0.000 1.254 54 S HN 0.465 8.835 8.310 0.100 0.000 0.571 55 A N -0.583 122.199 122.820 -0.062 0.000 2.304 55 A HA 0.450 4.878 4.320 -0.074 -0.153 0.301 55 A C 0.509 177.981 177.584 -0.186 0.000 1.132 55 A CA -1.532 50.431 52.037 -0.122 0.000 0.819 55 A CB 1.396 20.274 19.000 -0.204 0.000 1.094 55 A HN 0.339 8.441 8.150 -0.080 0.000 0.492 56 A N 4.717 127.372 122.820 -0.274 0.000 1.972 56 A HA -0.253 3.917 4.320 -0.251 0.000 0.219 56 A C 1.392 178.751 177.584 -0.375 0.000 1.169 56 A CA 2.840 54.593 52.037 -0.474 0.000 0.635 56 A CB -0.323 17.968 19.000 -1.181 0.000 0.810 56 A HN 0.586 8.614 8.150 -0.251 -0.029 0.446 57 H N -4.536 114.384 119.070 -0.250 0.000 2.567 57 H HA -0.095 4.506 4.556 0.075 0.000 0.276 57 H C 0.154 175.540 175.328 0.098 0.000 1.016 57 H CA 1.507 57.570 56.048 0.024 0.000 1.186 57 H CB -1.333 28.511 29.762 0.136 0.000 1.351 57 H HN 0.145 8.659 8.280 -0.155 -0.326 0.605 58 c N -1.603 116.893 118.600 -0.174 0.000 2.697 58 c HA 0.031 4.664 4.570 0.106 0.000 0.267 58 c C 0.341 174.516 174.090 0.141 0.000 1.278 58 c CA -0.008 56.336 56.329 0.025 0.000 1.708 58 c CB -1.565 40.935 42.510 -0.017 0.000 1.860 58 c HN -0.327 7.555 8.230 -0.250 0.199 0.589 59 Y N 2.375 122.672 120.300 -0.005 0.000 2.717 59 Y HA -0.274 4.292 4.550 0.027 0.000 0.330 59 Y C -1.185 174.691 175.900 -0.040 0.000 1.217 59 Y CA 2.041 60.140 58.100 -0.001 0.000 1.506 59 Y CB 0.442 38.889 38.460 -0.021 0.000 1.268 59 Y HN -0.483 7.689 8.280 0.140 0.192 0.561 60 K N 7.012 126.775 120.400 -1.062 0.000 2.555 60 K HA 0.149 3.962 4.320 -0.844 0.000 0.279 60 K C -1.958 174.104 176.600 -0.897 0.000 0.986 60 K CA -1.148 54.594 56.287 -0.908 0.000 0.880 60 K CB 3.431 35.507 32.500 -0.706 0.000 1.474 60 K HN 0.184 7.865 8.250 -0.949 0.000 0.433 61 S N 0.246 115.612 115.700 -0.558 0.000 2.489 61 S HA 0.082 4.401 4.470 -0.252 0.000 0.291 61 S C 0.793 175.261 174.600 -0.220 0.000 1.151 61 S CA -0.141 57.885 58.200 -0.290 0.000 1.082 61 S CB 0.221 63.332 63.200 -0.149 0.000 1.019 61 S HN 0.132 8.159 8.310 -0.471 0.000 0.492 62 G N 4.463 113.176 108.800 -0.146 0.000 2.370 62 G HA2 -0.340 3.567 3.960 -0.089 0.000 0.268 62 G HA3 -0.340 3.541 3.960 -0.132 0.000 0.268 62 G C -1.999 172.828 174.900 -0.122 0.000 1.122 62 G CA -0.259 44.767 45.100 -0.122 0.000 0.963 62 G HN 0.413 8.636 8.290 -0.112 0.000 0.500 63 I N -0.732 119.788 120.570 -0.083 0.000 2.385 63 I HA 0.136 4.428 4.170 -0.004 -0.124 0.294 63 I C -1.996 174.095 176.117 -0.044 0.000 0.988 63 I CA -1.080 60.204 61.300 -0.026 0.000 1.265 63 I CB 1.669 39.687 38.000 0.031 0.000 1.388 63 I HN -0.426 7.738 8.210 -0.077 0.000 0.480 64 Q N 6.149 125.912 119.800 -0.061 0.000 2.333 64 Q HA 0.441 4.842 4.340 -0.058 -0.096 0.267 64 Q C -1.758 174.184 176.000 -0.096 0.000 1.012 64 Q CA -1.403 54.350 55.803 -0.083 0.000 0.824 64 Q CB 3.814 32.475 28.738 -0.128 0.000 1.290 64 Q HN 0.458 8.696 8.270 -0.053 0.000 0.449 65 V N 7.131 127.009 119.914 -0.059 0.000 2.439 65 V HA 0.265 4.458 4.120 -0.082 -0.122 0.282 65 V C -1.223 174.865 176.094 -0.008 0.000 1.039 65 V CA -0.112 62.161 62.300 -0.046 0.000 0.913 65 V CB 1.140 32.955 31.823 -0.014 0.000 0.983 65 V HN 1.056 9.118 8.190 -0.036 0.106 0.460 66 R N 6.029 126.515 120.500 -0.023 0.000 2.360 66 R HA 0.702 5.392 4.340 0.273 -0.186 0.318 66 R C -1.039 175.332 176.300 0.119 0.000 0.950 66 R CA -1.292 54.859 56.100 0.085 0.000 0.837 66 R CB 1.691 31.911 30.300 -0.133 0.000 1.165 66 R HN 0.705 8.937 8.270 -0.062 0.000 0.458 70 E N 0.126 120.428 120.200 0.171 0.000 2.277 70 E HA 0.224 4.667 4.350 0.155 0.000 0.274 70 E C -1.822 174.974 176.600 0.327 0.000 1.022 70 E CA -0.005 56.522 56.400 0.213 0.000 0.853 70 E CB 1.383 31.163 29.700 0.134 0.000 1.086 70 E HN -0.442 8.000 8.360 0.191 0.032 0.397 71 D N 2.188 122.754 120.400 0.276 0.000 3.093 71 D HA 0.060 4.894 4.640 0.323 0.000 0.206 71 D C -1.115 175.397 176.300 0.353 0.000 1.512 71 D CA 1.065 55.235 54.000 0.282 0.000 1.420 71 D CB 2.459 43.340 40.800 0.134 0.000 1.166 71 D HN 0.138 8.623 8.370 0.191 0.000 0.285 72 N N 0.640 119.453 118.700 0.188 0.000 2.414 72 N HA 0.384 5.404 4.740 0.201 -0.160 0.256 72 N C 2.120 177.642 175.510 0.019 0.000 1.029 72 N CA -1.204 51.927 53.050 0.134 0.000 0.948 72 N CB 0.912 39.451 38.487 0.086 0.000 1.102 72 N HN -0.641 8.036 8.380 0.138 -0.214 0.496 73 I N 0.876 121.368 120.570 -0.130 0.000 3.291 73 I HA -0.114 4.034 4.170 -0.273 -0.143 0.279 73 I C -0.564 175.465 176.117 -0.147 0.000 1.294 73 I CA 1.425 62.545 61.300 -0.300 0.000 1.428 73 I CB -0.772 36.820 38.000 -0.679 0.000 1.070 73 I HN 0.547 8.698 8.210 -0.097 0.000 0.478 74 N N -2.025 116.638 118.700 -0.062 0.000 2.205 74 N HA 0.157 4.876 4.740 -0.036 0.000 0.201 74 N C -0.997 174.519 175.510 0.010 0.000 1.128 74 N CA -0.122 52.914 53.050 -0.023 0.000 0.867 74 N CB 2.186 40.670 38.487 -0.006 0.000 0.996 74 N HN 0.043 8.716 8.380 -0.038 -0.316 0.503 75 V N 0.442 120.370 119.914 0.024 0.000 2.531 75 V HA 0.060 4.202 4.120 0.036 0.000 0.301 75 V C -1.302 174.826 176.094 0.056 0.000 1.034 75 V CA -0.967 61.356 62.300 0.039 0.000 0.865 75 V CB 2.977 34.821 31.823 0.035 0.000 0.995 75 V HN -0.802 7.332 8.190 0.017 0.065 0.424 76 V N 8.061 128.010 119.914 0.059 0.000 2.356 76 V HA -0.151 4.222 4.120 0.076 -0.207 0.258 76 V C 0.302 176.405 176.094 0.015 0.000 1.065 76 V CA 0.494 62.824 62.300 0.050 0.000 0.935 76 V CB -0.412 31.433 31.823 0.038 0.000 1.061 76 V HN 0.354 8.574 8.190 0.051 0.000 0.484 77 E N 8.868 129.076 120.200 0.014 0.000 2.463 77 E HA 0.055 4.409 4.350 0.008 0.000 0.193 77 E C 0.433 177.026 176.600 -0.012 0.000 1.041 77 E CA -0.090 56.315 56.400 0.007 0.000 0.879 77 E CB 0.078 29.792 29.700 0.023 0.000 0.997 77 E HN 0.294 8.975 8.360 0.025 -0.305 0.478 78 G N -1.172 107.606 108.800 -0.038 0.000 2.279 78 G HA2 -0.386 3.534 3.960 -0.068 0.000 0.223 78 G HA3 -0.386 3.554 3.960 -0.035 0.000 0.223 78 G C -0.046 174.817 174.900 -0.062 0.000 1.015 78 G CA 0.485 45.553 45.100 -0.052 0.000 0.621 78 G HN -0.137 8.171 8.290 -0.050 -0.047 0.506 79 N N 0.668 119.340 118.700 -0.046 0.000 2.320 79 N HA 0.086 4.797 4.740 -0.048 0.000 0.237 79 N C -1.855 173.620 175.510 -0.057 0.000 1.129 79 N CA -0.679 52.346 53.050 -0.041 0.000 0.854 79 N CB 0.606 39.087 38.487 -0.010 0.000 1.083 79 N HN 0.298 8.662 8.380 -0.027 0.000 0.504 80 E N -0.472 119.650 120.200 -0.129 0.000 2.250 80 E HA 0.435 4.972 4.350 -0.040 -0.211 0.269 80 E C -0.376 176.060 176.600 -0.274 0.000 1.018 80 E CA -0.977 55.318 56.400 -0.175 0.000 0.873 80 E CB 1.512 31.025 29.700 -0.312 0.000 1.134 80 E HN -0.503 7.690 8.360 -0.160 0.071 0.403 81 Q N 0.239 119.948 119.800 -0.152 0.000 2.274 81 Q HA 0.322 4.542 4.340 -0.200 0.000 0.268 81 Q C -1.375 174.700 176.000 0.125 0.000 1.015 81 Q CA -1.129 54.616 55.803 -0.097 0.000 0.775 81 Q CB 3.122 31.852 28.738 -0.013 0.000 1.256 81 Q HN 0.254 8.525 8.270 0.000 0.000 0.442 82 F N 3.817 123.748 119.950 -0.030 0.000 2.402 82 F HA 0.835 5.521 4.527 -0.044 -0.186 0.355 82 F C 0.113 175.890 175.800 -0.039 0.000 1.123 82 F CA -1.668 56.308 58.000 -0.040 0.000 1.021 82 F CB 1.783 40.758 39.000 -0.043 0.000 1.160 82 F HN 0.299 8.576 8.300 -0.039 0.000 0.451 83 I N 4.668 125.316 120.570 0.130 0.000 2.533 83 I HA 0.315 4.512 4.170 0.044 0.000 0.290 83 I C -1.026 175.095 176.117 0.006 0.000 1.056 83 I CA -1.227 60.100 61.300 0.045 0.000 1.057 83 I CB 4.018 42.029 38.000 0.017 0.000 1.240 83 I HN 0.963 9.246 8.210 0.122 0.000 0.423 84 S N 6.690 122.383 115.700 -0.011 0.000 2.603 84 S HA 0.138 4.695 4.470 -0.036 -0.108 0.268 84 S C -0.673 173.896 174.600 -0.051 0.000 1.317 84 S CA 0.549 58.729 58.200 -0.032 0.000 1.012 84 S CB 1.008 64.188 63.200 -0.032 0.000 0.926 84 S HN 0.503 8.810 8.310 -0.005 0.000 0.539 85 A N 2.406 125.193 122.820 -0.054 0.000 2.354 85 A HA 0.368 4.764 4.320 -0.098 -0.135 0.269 85 A C -0.477 177.063 177.584 -0.073 0.000 1.109 85 A CA -0.725 51.270 52.037 -0.071 0.000 0.800 85 A CB 0.869 19.842 19.000 -0.045 0.000 1.045 85 A HN -0.197 7.924 8.150 -0.047 0.000 0.489 86 S N 2.393 118.029 115.700 -0.106 0.000 2.475 86 S HA 0.070 4.503 4.470 -0.061 0.000 0.224 86 S C 0.498 175.062 174.600 -0.059 0.000 1.042 86 S CA 1.157 59.305 58.200 -0.087 0.000 0.935 86 S CB 1.285 64.415 63.200 -0.118 0.000 0.801 86 S HN 0.719 8.822 8.310 -0.156 0.114 0.509 87 K N 0.807 121.164 120.400 -0.071 0.000 2.568 87 K HA 0.248 4.588 4.320 0.033 0.000 0.273 87 K C -2.395 174.234 176.600 0.049 0.000 0.951 87 K CA 0.181 56.470 56.287 0.004 0.000 0.854 87 K CB 3.048 35.559 32.500 0.018 0.000 1.424 87 K HN -0.815 7.359 8.250 -0.127 0.000 0.427 88 S N 2.656 118.431 115.700 0.127 0.000 2.526 88 S HA 0.923 5.686 4.470 0.192 -0.178 0.293 88 S C -0.892 173.829 174.600 0.203 0.000 1.092 88 S CA -0.858 57.458 58.200 0.194 0.000 0.980 88 S CB 2.483 65.846 63.200 0.273 0.000 1.048 88 S HN 0.103 8.490 8.310 0.129 0.000 0.483 89 I N 6.755 127.465 120.570 0.233 0.000 2.476 89 I HA 0.187 4.458 4.170 0.167 0.000 0.281 89 I C -1.645 174.626 176.117 0.256 0.000 1.040 89 I CA -0.468 60.969 61.300 0.228 0.000 1.094 89 I CB 2.684 40.837 38.000 0.255 0.000 1.219 89 I HN 0.923 9.290 8.210 0.262 0.000 0.450 90 V N 7.203 127.201 119.914 0.140 0.000 2.686 90 V HA -0.104 4.072 4.120 0.093 0.000 0.295 90 V C -0.378 175.783 176.094 0.111 0.000 1.057 90 V CA -0.893 61.451 62.300 0.074 0.000 1.012 90 V CB 1.062 32.838 31.823 -0.079 0.000 1.006 90 V HN 0.256 8.489 8.190 0.072 0.000 0.477 91 H N 7.877 126.881 119.070 -0.109 0.000 3.064 91 H HA -0.069 4.064 4.556 -0.706 0.000 0.329 91 H C 0.039 175.261 175.328 -0.176 0.000 1.020 91 H CA 0.774 56.567 56.048 -0.425 0.000 1.402 91 H CB 1.690 31.097 29.762 -0.593 0.000 1.379 91 H HN -0.197 8.098 8.280 0.024 0.000 0.594 92 P HA -0.151 4.217 4.420 -0.087 0.000 0.217 92 P C -0.259 177.017 177.300 -0.040 0.000 1.148 92 P CA 1.824 64.793 63.100 -0.219 0.000 0.828 92 P CB 0.300 31.845 31.700 -0.259 0.000 0.783 93 S N -2.680 113.098 115.700 0.130 0.000 2.574 93 S HA 0.058 4.574 4.470 0.076 0.000 0.242 93 S C -1.128 173.584 174.600 0.187 0.000 0.982 93 S CA -0.167 58.142 58.200 0.181 0.000 0.977 93 S CB 0.732 64.044 63.200 0.187 0.000 0.814 93 S HN -0.423 7.982 8.310 0.202 0.026 0.464 94 Y N 3.834 124.183 120.300 0.080 0.000 2.526 94 Y HA -0.272 4.457 4.550 -0.029 -0.197 0.330 94 Y C -0.828 175.065 175.900 -0.013 0.000 1.156 94 Y CA 0.855 58.957 58.100 0.004 0.000 1.419 94 Y CB 0.849 39.308 38.460 -0.001 0.000 1.250 94 Y HN -0.740 7.656 8.280 0.306 0.067 0.540 95 N N 7.521 125.835 118.700 -0.644 0.000 2.518 95 N HA 0.234 4.698 4.740 -0.459 0.000 0.254 95 N C -0.201 174.760 175.510 -0.914 0.000 0.979 95 N CA -1.171 51.528 53.050 -0.585 0.000 0.930 95 N CB 1.567 39.877 38.487 -0.296 0.000 1.152 95 N HN -0.190 7.903 8.380 -0.478 0.000 0.505 96 S N 6.475 121.648 115.700 -0.879 0.000 2.481 96 S HA -0.123 3.941 4.470 -0.677 0.000 0.231 96 S C 1.016 175.435 174.600 -0.302 0.000 0.996 96 S CA 2.524 60.386 58.200 -0.563 0.000 0.942 96 S CB -0.148 62.923 63.200 -0.214 0.000 0.768 96 S HN 0.712 8.623 8.310 -0.666 0.000 0.520 97 N N 1.154 119.683 118.700 -0.286 0.000 2.290 97 N HA -0.066 4.558 4.740 -0.193 0.000 0.179 97 N C 1.062 176.411 175.510 -0.269 0.000 1.016 97 N CA 2.333 55.250 53.050 -0.223 0.000 0.871 97 N CB 0.627 39.010 38.487 -0.172 0.000 0.987 97 N HN 0.065 8.483 8.380 -0.313 -0.226 0.431 98 T N -4.054 110.329 114.554 -0.285 0.000 3.022 98 T HA 0.085 4.219 4.350 -0.359 0.000 0.250 98 T C 0.123 174.603 174.700 -0.366 0.000 1.060 98 T CA -0.244 61.670 62.100 -0.310 0.000 1.013 98 T CB 1.471 70.216 68.868 -0.205 0.000 0.982 98 T HN -0.579 7.718 8.240 -0.284 -0.228 0.508 99 L N -3.717 117.326 121.223 -0.299 0.000 4.291 99 L HA -0.492 3.910 4.340 -0.006 -0.066 0.413 99 L C -1.831 175.056 176.870 0.029 0.000 1.162 99 L CA 0.565 55.333 54.840 -0.120 0.000 0.961 99 L CB -2.781 39.133 42.059 -0.242 0.000 2.095 99 L HN -0.184 7.849 8.230 -0.329 0.000 0.838 100 N N -0.679 117.994 118.700 -0.045 0.000 2.520 100 N HA -0.140 4.652 4.740 0.087 0.000 0.273 100 N C -0.090 175.465 175.510 0.075 0.000 1.155 100 N CA 0.626 53.695 53.050 0.031 0.000 0.967 100 N CB 1.122 39.601 38.487 -0.013 0.000 1.092 100 N HN -0.759 7.486 8.380 -0.148 0.047 0.457 101 N N -0.666 118.080 118.700 0.077 0.000 2.756 101 N HA -0.466 4.203 4.740 -0.119 0.000 0.248 101 N C -1.366 174.127 175.510 -0.030 0.000 1.062 101 N CA 1.347 54.343 53.050 -0.090 0.000 0.696 101 N CB -1.519 36.828 38.487 -0.234 0.000 0.946 101 N HN 0.636 9.084 8.380 0.113 0.000 0.548 102 D N -0.738 119.692 120.400 0.051 0.000 2.608 102 D HA 0.078 4.726 4.640 0.014 0.000 0.224 102 D C -2.057 174.163 176.300 -0.134 0.000 1.123 102 D CA -0.410 53.621 54.000 0.051 0.000 1.030 102 D CB -0.725 40.212 40.800 0.229 0.000 1.093 102 D HN -0.059 8.352 8.370 0.069 0.000 0.497 103 I N 1.814 122.233 120.570 -0.252 0.000 2.827 103 I HA 0.767 5.045 4.170 -0.110 -0.175 0.298 103 I C -3.039 173.045 176.117 -0.056 0.000 1.235 103 I CA -1.597 59.589 61.300 -0.190 0.000 1.021 103 I CB 3.871 41.636 38.000 -0.391 0.000 1.259 103 I HN -0.234 7.767 8.210 -0.274 0.045 0.427 104 M N 4.838 124.481 119.600 0.071 0.000 2.520 104 M HA 0.752 5.522 4.480 0.283 -0.119 0.283 104 M C -2.855 173.590 176.300 0.242 0.000 1.237 104 M CA -1.024 54.385 55.300 0.181 0.000 0.885 104 M CB 4.791 37.442 32.600 0.085 0.000 1.727 104 M HN 0.536 8.864 8.290 0.063 0.000 0.468 105 L N 0.232 121.628 121.223 0.288 0.000 2.346 105 L HA 0.934 5.613 4.340 0.255 -0.186 0.276 105 L C -1.278 175.798 176.870 0.344 0.000 1.006 105 L CA -1.520 53.493 54.840 0.287 0.000 0.817 105 L CB 3.562 45.719 42.059 0.164 0.000 1.272 105 L HN 0.392 8.820 8.230 0.330 0.000 0.421 106 I N 1.057 121.825 120.570 0.330 0.000 2.466 106 I HA 0.540 4.956 4.170 0.137 -0.164 0.289 106 I C -1.723 174.363 176.117 -0.051 0.000 1.026 106 I CA -1.268 60.122 61.300 0.150 0.000 1.078 106 I CB 3.122 41.177 38.000 0.092 0.000 1.249 106 I HN 0.974 9.400 8.210 0.360 0.000 0.429 107 K N 6.578 126.743 120.400 -0.393 0.000 2.138 107 K HA 0.717 4.460 4.320 -1.246 -0.171 0.263 107 K C -1.085 175.242 176.600 -0.456 0.000 0.965 107 K CA -2.101 53.614 56.287 -0.954 0.000 0.868 107 K CB 3.347 35.052 32.500 -1.325 0.000 1.083 107 K HN 0.748 8.858 8.250 -0.232 0.000 0.443 108 L N 4.721 125.695 121.223 -0.415 0.000 2.350 108 L HA 0.169 4.521 4.340 -0.162 -0.109 0.275 108 L C 1.596 178.346 176.870 -0.201 0.000 1.099 108 L CA 0.050 54.758 54.840 -0.221 0.000 0.808 108 L CB 0.323 42.290 42.059 -0.153 0.000 1.149 108 L HN 0.586 8.486 8.230 -0.550 0.000 0.442 109 K N 2.700 123.023 120.400 -0.128 0.000 2.097 109 K HA -0.282 3.971 4.320 -0.113 0.000 0.206 109 K C 0.117 176.666 176.600 -0.084 0.000 1.049 109 K CA 2.707 58.935 56.287 -0.098 0.000 0.933 109 K CB 0.421 32.883 32.500 -0.063 0.000 0.717 109 K HN 0.515 8.703 8.250 -0.104 0.000 0.442 110 S N -3.944 111.713 115.700 -0.072 0.000 2.599 110 S HA 0.130 4.568 4.470 -0.053 0.000 0.294 110 S C -1.790 172.777 174.600 -0.055 0.000 1.094 110 S CA -1.415 56.753 58.200 -0.053 0.000 0.931 110 S CB 2.187 65.368 63.200 -0.033 0.000 1.093 110 S HN -0.476 7.781 8.310 -0.071 0.011 0.488 111 A N 1.444 124.239 122.820 -0.041 0.000 2.401 111 A HA 0.061 4.502 4.320 -0.042 -0.146 0.259 111 A C -0.579 176.997 177.584 -0.014 0.000 1.103 111 A CA -0.152 51.868 52.037 -0.029 0.000 0.789 111 A CB 0.797 19.789 19.000 -0.012 0.000 1.035 111 A HN 0.210 8.339 8.150 -0.034 0.000 0.491 112 A N 2.979 125.797 122.820 -0.003 0.000 2.351 112 A HA 0.157 4.564 4.320 0.002 -0.086 0.257 112 A C -0.350 177.241 177.584 0.011 0.000 1.087 112 A CA -0.929 51.112 52.037 0.008 0.000 0.798 112 A CB 1.062 20.076 19.000 0.023 0.000 1.033 112 A HN 0.341 8.383 8.150 -0.003 0.105 0.488 113 S N 1.128 116.833 115.700 0.008 0.000 2.411 113 S HA 0.107 4.582 4.470 0.009 0.000 0.294 113 S C -0.980 173.629 174.600 0.015 0.000 1.115 113 S CA -0.639 57.565 58.200 0.007 0.000 1.071 113 S CB 0.002 63.200 63.200 -0.002 0.000 0.967 113 S HN 0.027 8.687 8.310 0.004 -0.348 0.488 114 L N 6.855 128.091 121.223 0.022 0.000 2.349 114 L HA 0.061 4.539 4.340 0.035 -0.118 0.275 114 L C -0.335 176.549 176.870 0.024 0.000 1.115 114 L CA -0.070 54.788 54.840 0.030 0.000 0.820 114 L CB 0.350 42.432 42.059 0.038 0.000 1.135 114 L HN 0.280 8.523 8.230 0.021 0.000 0.445 115 N N 3.868 122.583 118.700 0.025 0.000 3.522 115 N HA 0.217 4.968 4.740 0.018 0.000 0.328 115 N C -0.554 174.970 175.510 0.024 0.000 1.623 115 N CA -0.678 52.384 53.050 0.019 0.000 0.812 115 N CB 0.905 39.399 38.487 0.011 0.000 2.008 115 N HN 0.376 8.664 8.380 0.031 0.111 0.601 116 S N -1.326 114.385 115.700 0.019 0.000 2.399 116 S HA -0.254 4.231 4.470 0.025 0.000 0.231 116 S C 0.464 175.075 174.600 0.019 0.000 1.022 116 S CA 2.879 61.091 58.200 0.020 0.000 0.983 116 S CB -0.124 63.085 63.200 0.014 0.000 0.803 116 S HN 0.292 8.610 8.310 0.014 0.000 0.480 117 R N -1.395 119.115 120.500 0.015 0.000 2.246 117 R HA -0.060 4.284 4.340 0.006 0.000 0.199 117 R C -1.390 174.922 176.300 0.019 0.000 0.984 117 R CA 0.835 56.943 56.100 0.012 0.000 1.015 117 R CB 1.086 31.392 30.300 0.011 0.000 0.930 117 R HN -0.172 8.345 8.270 0.014 -0.239 0.475 118 V N -1.218 118.713 119.914 0.029 0.000 2.380 118 V HA 0.281 4.609 4.120 0.046 -0.180 0.286 118 V C -1.990 174.139 176.094 0.059 0.000 1.015 118 V CA -1.184 61.142 62.300 0.044 0.000 0.834 118 V CB 1.734 33.580 31.823 0.039 0.000 1.009 118 V HN -0.545 7.692 8.190 0.026 -0.031 0.428 119 A N 7.257 130.127 122.820 0.084 0.000 2.527 119 A HA 0.632 5.001 4.320 0.083 0.000 0.293 119 A C -2.640 175.035 177.584 0.151 0.000 1.117 119 A CA -1.910 50.191 52.037 0.105 0.000 0.723 119 A CB 2.964 22.029 19.000 0.108 0.000 1.313 119 A HN 0.165 8.247 8.150 0.088 0.121 0.411 120 S N -1.693 114.083 115.700 0.126 0.000 2.687 120 S HA 0.691 5.398 4.470 0.158 -0.142 0.283 120 S C -0.822 173.837 174.600 0.098 0.000 1.170 120 S CA -0.976 57.299 58.200 0.125 0.000 1.008 120 S CB 1.963 65.216 63.200 0.088 0.000 1.026 120 S HN -0.031 8.339 8.310 0.099 0.000 0.541 121 I N 0.722 121.309 120.570 0.029 0.000 2.603 121 I HA 0.278 4.395 4.170 -0.090 0.000 0.300 121 I C -1.678 174.398 176.117 -0.069 0.000 1.017 121 I CA -1.553 59.678 61.300 -0.115 0.000 1.098 121 I CB 4.040 41.782 38.000 -0.430 0.000 1.279 121 I HN 0.349 8.587 8.210 0.047 0.000 0.437 122 S N 6.425 122.082 115.700 -0.072 0.000 2.584 122 S HA 0.220 4.677 4.470 -0.022 0.000 0.273 122 S C -0.719 173.855 174.600 -0.043 0.000 1.311 122 S CA -0.232 57.943 58.200 -0.041 0.000 1.034 122 S CB 0.713 63.893 63.200 -0.033 0.000 0.939 122 S HN 0.355 8.610 8.310 -0.091 0.000 0.513 123 L N 2.391 123.602 121.223 -0.020 0.000 2.399 123 L HA 0.181 4.520 4.340 -0.002 0.000 0.266 123 L C -1.029 175.837 176.870 -0.007 0.000 1.114 123 L CA -2.182 52.655 54.840 -0.004 0.000 0.804 123 L CB 0.327 42.391 42.059 0.008 0.000 1.146 123 L HN 0.200 8.421 8.230 -0.015 0.000 0.451 124 P HA 0.087 4.496 4.420 -0.020 0.000 0.274 124 P C -1.105 176.193 177.300 -0.004 0.000 1.237 124 P CA -0.379 62.716 63.100 -0.008 0.000 0.793 124 P CB 0.411 32.107 31.700 -0.008 0.000 0.977 128 c N 0.643 119.215 118.600 -0.047 0.000 2.520 128 c HA 0.101 4.627 4.570 -0.074 0.000 0.376 128 c C 0.120 174.148 174.090 -0.103 0.000 1.268 128 c CA -0.424 55.860 56.329 -0.075 0.000 2.414 128 c CB 0.456 42.925 42.510 -0.067 0.000 2.521 128 c HN -0.037 8.169 8.230 -0.040 0.000 0.618 129 A N 2.436 125.158 122.820 -0.163 0.000 2.293 129 A HA 0.074 4.321 4.320 -0.123 0.000 0.302 129 A C -0.951 176.528 177.584 -0.175 0.000 1.119 129 A CA -0.215 51.719 52.037 -0.171 0.000 0.823 129 A CB 1.018 19.884 19.000 -0.223 0.000 1.097 129 A HN 0.205 8.230 8.150 -0.208 0.000 0.491 133 G N 0.748 109.510 108.800 -0.064 0.000 2.279 133 G HA2 -0.236 3.693 3.960 -0.052 0.000 0.223 133 G HA3 -0.236 3.698 3.960 -0.044 0.000 0.223 133 G C 0.348 175.212 174.900 -0.059 0.000 1.015 133 G CA -0.127 44.941 45.100 -0.054 0.000 0.621 133 G HN 0.551 8.686 8.290 -0.068 0.114 0.506 134 T N 4.401 118.910 114.554 -0.075 0.000 2.928 134 T HA -0.162 4.154 4.350 -0.056 0.000 0.305 134 T C -0.687 173.970 174.700 -0.070 0.000 1.035 134 T CA 2.317 64.373 62.100 -0.074 0.000 1.145 134 T CB 0.405 69.214 68.868 -0.099 0.000 0.963 134 T HN -0.573 7.530 8.240 -0.087 0.085 0.545 135 Q N 4.470 124.243 119.800 -0.046 0.000 2.261 135 Q HA 0.089 4.521 4.340 -0.037 -0.114 0.252 135 Q C -0.920 175.063 176.000 -0.027 0.000 0.915 135 Q CA 0.107 55.893 55.803 -0.027 0.000 0.915 135 Q CB 1.270 30.009 28.738 0.003 0.000 1.204 135 Q HN 0.240 8.488 8.270 -0.037 0.000 0.421 136 c N 1.334 119.920 118.600 -0.025 0.000 2.913 136 c HA 0.642 5.325 4.570 -0.019 -0.124 0.322 136 c C -1.642 172.454 174.090 0.011 0.000 1.292 136 c CA -1.265 55.051 56.329 -0.022 0.000 1.649 136 c CB 4.232 46.708 42.510 -0.056 0.000 2.139 136 c HN 0.743 8.845 8.230 -0.025 0.113 0.475 137 L N 0.949 122.185 121.223 0.022 0.000 2.325 137 L HA 0.831 5.378 4.340 0.054 -0.175 0.281 137 L C -2.251 174.634 176.870 0.025 0.000 1.004 137 L CA -1.330 53.538 54.840 0.047 0.000 0.823 137 L CB 3.214 45.325 42.059 0.085 0.000 1.236 137 L HN 0.628 8.761 8.230 0.015 0.106 0.415 138 I N 7.581 128.151 120.570 -0.001 0.000 2.441 138 I HA 0.851 5.251 4.170 0.012 -0.223 0.295 138 I C -1.326 174.761 176.117 -0.050 0.000 0.994 138 I CA -1.527 59.767 61.300 -0.009 0.000 1.144 138 I CB 2.559 40.554 38.000 -0.009 0.000 1.314 138 I HN 1.002 9.213 8.210 0.001 0.000 0.445 139 S N 2.370 118.039 115.700 -0.052 0.000 2.618 139 S HA 1.004 5.506 4.470 -0.215 -0.161 0.277 139 S C -1.157 173.336 174.600 -0.178 0.000 1.138 139 S CA -1.736 56.362 58.200 -0.171 0.000 0.844 139 S CB 3.789 66.855 63.200 -0.224 0.000 1.127 139 S HN -0.200 8.113 8.310 0.004 0.000 0.474 140 G N -1.310 107.287 108.800 -0.340 0.000 2.321 140 G HA2 0.122 3.834 3.960 -0.412 0.000 0.298 140 G HA3 0.122 4.177 3.960 -0.048 -0.125 0.298 140 G C -2.358 172.315 174.900 -0.379 0.000 1.385 140 G CA 0.552 45.474 45.100 -0.296 0.000 0.856 140 G HN 0.315 8.342 8.290 -0.438 0.000 0.584 141 W N 1.260 122.530 121.300 -0.050 0.000 3.015 141 W HA 0.394 5.009 4.660 -0.075 0.000 0.429 141 W C -0.275 176.282 176.519 0.063 0.000 0.976 141 W CA -0.936 56.350 57.345 -0.098 0.000 2.086 141 W CB -0.004 29.216 29.460 -0.399 0.000 1.125 141 W HN 0.574 8.945 8.180 0.318 0.000 0.721 142 G N 0.683 109.624 108.800 0.236 0.000 2.588 142 G HA2 -0.011 4.226 3.960 0.463 0.000 0.281 142 G HA3 -0.011 4.228 3.960 0.195 -0.163 0.281 142 G C -0.885 173.964 174.900 -0.085 0.000 1.236 142 G CA -0.908 44.326 45.100 0.224 0.000 0.969 142 G HN -0.388 8.143 8.290 0.137 -0.158 0.504 143 N N -0.366 118.095 118.700 -0.398 0.000 2.294 143 N HA -0.305 3.967 4.740 -1.096 -0.190 0.248 143 N C 0.776 176.125 175.510 -0.269 0.000 1.242 143 N CA 1.319 53.971 53.050 -0.664 0.000 0.848 143 N CB 0.588 38.763 38.487 -0.520 0.000 1.084 143 N HN 0.046 8.302 8.380 -0.207 0.000 0.457 144 T N -0.712 113.707 114.554 -0.224 0.000 3.085 144 T HA 0.190 4.620 4.350 -0.087 -0.132 0.264 144 T C -0.036 174.618 174.700 -0.077 0.000 1.019 144 T CA 0.179 62.214 62.100 -0.109 0.000 0.910 144 T CB 1.479 70.301 68.868 -0.076 0.000 1.059 144 T HN 0.217 8.289 8.240 -0.281 0.000 0.542 145 K N 1.950 122.296 120.400 -0.089 0.000 2.270 145 K HA 0.367 4.668 4.320 -0.033 0.000 0.255 145 K C -0.318 176.263 176.600 -0.032 0.000 0.936 145 K CA -2.094 54.165 56.287 -0.048 0.000 0.809 145 K CB 2.261 34.736 32.500 -0.040 0.000 1.131 145 K HN -0.720 7.647 8.250 -0.138 -0.201 0.427 146 S N 1.975 117.667 115.700 -0.013 0.000 2.348 146 S HA -0.189 4.283 4.470 0.003 0.000 0.219 146 S C 0.340 174.943 174.600 0.006 0.000 1.033 146 S CA 2.134 60.335 58.200 0.002 0.000 0.974 146 S CB 0.324 63.530 63.200 0.009 0.000 0.868 146 S HN 0.278 8.582 8.310 -0.011 0.000 0.459 147 S N 1.603 117.306 115.700 0.005 0.000 2.567 147 S HA 0.106 4.585 4.470 0.015 0.000 0.262 147 S C -0.938 173.666 174.600 0.008 0.000 1.237 147 S CA -0.046 58.160 58.200 0.010 0.000 1.093 147 S CB -0.876 62.331 63.200 0.011 0.000 1.095 147 S HN -0.348 7.963 8.310 0.002 0.000 0.489 148 G N 3.199 112.005 108.800 0.010 0.000 2.368 148 G HA2 -0.147 3.826 3.960 0.021 0.000 0.302 148 G HA3 -0.147 3.818 3.960 0.007 0.000 0.302 148 G C -2.702 172.203 174.900 0.007 0.000 1.329 148 G CA -0.199 44.908 45.100 0.012 0.000 0.935 148 G HN -0.622 7.675 8.290 0.012 0.000 0.590 149 T N 0.024 114.591 114.554 0.023 0.000 2.840 149 T HA 0.168 4.660 4.350 -0.031 -0.161 0.287 149 T C -1.598 173.120 174.700 0.030 0.000 0.991 149 T CA -0.328 61.793 62.100 0.036 0.000 0.964 149 T CB 1.848 70.795 68.868 0.131 0.000 0.954 149 T HN -0.105 8.154 8.240 0.032 0.000 0.438 150 S N 6.071 121.726 115.700 -0.076 0.000 2.706 150 S HA 0.213 4.734 4.470 0.085 0.000 0.270 150 S C -2.224 172.302 174.600 -0.123 0.000 1.163 150 S CA -0.051 58.140 58.200 -0.015 0.000 1.042 150 S CB 1.276 64.461 63.200 -0.025 0.000 1.079 150 S HN 0.665 9.216 8.310 -0.251 -0.392 0.474 151 Y N 5.704 126.037 120.300 0.053 0.000 2.331 151 Y HA 0.233 4.832 4.550 0.080 0.000 0.338 151 Y C -1.146 174.796 175.900 0.070 0.000 0.976 151 Y CA -2.776 55.368 58.100 0.072 0.000 1.137 151 Y CB 1.152 39.660 38.460 0.080 0.000 1.172 151 Y HN 0.099 8.567 8.280 0.313 0.000 0.478 152 P HA 0.237 4.727 4.420 0.117 0.000 0.279 152 P C -1.798 175.630 177.300 0.213 0.000 1.252 152 P CA -1.063 62.126 63.100 0.149 0.000 0.811 152 P CB 2.014 33.766 31.700 0.087 0.000 1.035 153 D N -1.663 118.843 120.400 0.177 0.000 2.392 153 D HA 0.018 4.749 4.640 0.153 0.000 0.206 153 D C -0.944 175.536 176.300 0.300 0.000 1.046 153 D CA 1.037 55.144 54.000 0.178 0.000 0.865 153 D CB 0.916 41.774 40.800 0.096 0.000 0.969 153 D HN 0.407 8.857 8.370 0.134 0.000 0.509 154 V N -6.766 113.304 119.914 0.260 0.000 2.850 154 V HA 0.753 5.370 4.120 0.395 -0.261 0.315 154 V C -0.576 175.534 176.094 0.026 0.000 1.064 154 V CA -2.687 59.756 62.300 0.237 0.000 0.979 154 V CB 2.267 34.151 31.823 0.101 0.000 1.039 154 V HN -1.021 7.275 8.190 0.177 0.000 0.452 155 L N 3.076 124.177 121.223 -0.204 0.000 2.499 155 L HA -0.072 3.466 4.340 -1.338 0.000 0.273 155 L C -0.593 176.017 176.870 -0.434 0.000 1.195 155 L CA 0.832 55.237 54.840 -0.724 0.000 0.882 155 L CB 0.241 41.886 42.059 -0.690 0.000 1.133 155 L HN -0.202 8.209 8.230 0.025 -0.166 0.483 156 K N 5.872 125.994 120.400 -0.462 0.000 2.203 156 K HA 0.745 5.036 4.320 -0.341 -0.175 0.251 156 K C -1.223 175.119 176.600 -0.431 0.000 0.944 156 K CA -2.544 53.527 56.287 -0.360 0.000 0.829 156 K CB 2.635 34.989 32.500 -0.243 0.000 1.125 156 K HN -0.037 7.867 8.250 -0.578 0.000 0.430 157 c N -0.299 117.945 118.600 -0.592 0.000 2.779 157 c HA 1.017 5.533 4.570 -0.400 -0.185 0.314 157 c C -1.756 171.974 174.090 -0.600 0.000 1.231 157 c CA -0.892 55.043 56.329 -0.657 0.000 1.652 157 c CB 3.713 45.667 42.510 -0.927 0.000 2.198 157 c HN 0.815 8.519 8.230 -0.701 0.105 0.483 158 L N 0.736 121.809 121.223 -0.250 0.000 2.526 158 L HA 0.445 4.828 4.340 0.072 0.000 0.263 158 L C -2.604 174.330 176.870 0.107 0.000 0.943 158 L CA 0.217 55.055 54.840 -0.003 0.000 0.859 158 L CB 4.383 46.454 42.059 0.019 0.000 1.313 158 L HN 0.762 8.879 8.230 -0.189 0.000 0.406 159 K N 6.536 127.064 120.400 0.213 0.000 2.211 159 K HA 0.889 5.516 4.320 0.128 -0.231 0.275 159 K C -0.992 175.743 176.600 0.225 0.000 1.024 159 K CA -0.719 55.678 56.287 0.182 0.000 0.887 159 K CB 1.249 33.859 32.500 0.185 0.000 1.084 159 K HN 0.285 8.698 8.250 0.272 0.000 0.463 160 A N 4.514 127.408 122.820 0.123 0.000 2.547 160 A HA 0.500 4.866 4.320 0.076 0.000 0.297 160 A C -3.321 174.203 177.584 -0.099 0.000 1.056 160 A CA -2.847 49.204 52.037 0.023 0.000 0.688 160 A CB 2.968 21.983 19.000 0.025 0.000 1.282 160 A HN 0.628 8.816 8.150 0.064 0.000 0.400 161 P HA 0.706 5.268 4.420 -0.098 -0.201 0.282 161 P C -1.122 176.101 177.300 -0.129 0.000 1.259 161 P CA -1.444 61.567 63.100 -0.149 0.000 0.826 161 P CB 1.656 33.268 31.700 -0.147 0.000 1.064 162 I N -0.399 120.118 120.570 -0.088 0.000 2.529 162 I HA -0.073 4.238 4.170 0.061 -0.104 0.284 162 I C 0.140 176.240 176.117 -0.029 0.000 1.082 162 I CA 0.633 61.912 61.300 -0.035 0.000 1.406 162 I CB 0.399 38.310 38.000 -0.149 0.000 1.405 162 I HN 0.088 8.238 8.210 -0.099 0.000 0.548 163 L N 5.820 127.060 121.223 0.028 0.000 2.375 163 L HA 0.367 4.694 4.340 -0.022 0.000 0.268 163 L C -0.766 176.122 176.870 0.030 0.000 1.058 163 L CA -1.305 53.542 54.840 0.011 0.000 0.803 163 L CB 0.906 42.980 42.059 0.024 0.000 1.212 163 L HN 0.442 8.736 8.230 0.107 0.000 0.451 164 S N -0.648 115.062 115.700 0.016 0.000 2.579 164 S HA -0.079 4.398 4.470 0.012 0.000 0.275 164 S C 0.584 175.210 174.600 0.042 0.000 1.345 164 S CA -0.701 57.511 58.200 0.019 0.000 1.031 164 S CB 1.090 64.296 63.200 0.010 0.000 0.892 164 S HN 0.113 8.426 8.310 0.006 0.000 0.529 165 D N 2.408 122.835 120.400 0.046 0.000 2.218 165 D HA -0.264 4.427 4.640 0.085 0.000 0.204 165 D C 1.896 178.229 176.300 0.054 0.000 0.976 165 D CA 3.388 57.425 54.000 0.063 0.000 0.853 165 D CB -0.459 40.376 40.800 0.058 0.000 0.939 165 D HN 0.502 8.892 8.370 0.033 0.000 0.481 166 S N -1.042 114.680 115.700 0.038 0.000 2.356 166 S HA -0.354 4.137 4.470 0.035 0.000 0.223 166 S C 1.802 176.421 174.600 0.031 0.000 1.032 166 S CA 3.336 61.555 58.200 0.031 0.000 1.005 166 S CB -0.191 63.022 63.200 0.020 0.000 0.867 166 S HN 0.115 8.426 8.310 0.030 0.018 0.449 167 S N 2.207 117.923 115.700 0.027 0.000 2.423 167 S HA -0.191 4.284 4.470 0.008 0.000 0.231 167 S C 1.983 176.601 174.600 0.030 0.000 1.014 167 S CA 2.963 61.174 58.200 0.018 0.000 0.965 167 S CB -0.184 63.023 63.200 0.012 0.000 0.785 167 S HN -0.523 7.802 8.310 0.026 0.000 0.495 168 c N 3.702 122.339 118.600 0.061 0.000 2.462 168 c HA -0.239 4.403 4.570 0.120 0.000 0.278 168 c C 1.928 176.103 174.090 0.142 0.000 1.253 168 c CA 2.827 59.222 56.329 0.110 0.000 1.713 168 c CB -1.804 40.773 42.510 0.113 0.000 2.049 168 c HN -0.337 7.823 8.230 0.059 0.106 0.477 169 K N -0.846 119.619 120.400 0.108 0.000 2.148 169 K HA -0.330 4.086 4.320 0.161 0.000 0.204 169 K C 2.183 178.828 176.600 0.076 0.000 1.050 169 K CA 3.142 59.496 56.287 0.112 0.000 0.942 169 K CB -0.050 32.500 32.500 0.083 0.000 0.724 169 K HN 0.198 8.500 8.250 0.087 0.000 0.446 170 S N -1.188 114.533 115.700 0.036 0.000 2.402 170 S HA -0.244 4.234 4.470 0.013 0.000 0.229 170 S C 0.748 175.319 174.600 -0.049 0.000 1.021 170 S CA 2.827 61.028 58.200 0.002 0.000 0.974 170 S CB -0.097 63.099 63.200 -0.007 0.000 0.800 170 S HN -0.280 8.051 8.310 0.034 0.000 0.484 171 A N -0.913 121.845 122.820 -0.104 0.000 1.929 171 A HA -0.078 4.072 4.320 -0.284 0.000 0.216 171 A C -0.681 176.607 177.584 -0.493 0.000 1.176 171 A CA 1.750 53.578 52.037 -0.347 0.000 0.628 171 A CB 0.834 19.541 19.000 -0.488 0.000 0.816 171 A HN -0.787 7.311 8.150 -0.047 0.023 0.444 172 Y N -5.186 115.150 120.300 0.060 0.000 2.562 172 Y HA 0.437 5.059 4.550 0.121 0.000 0.363 172 Y C -2.538 173.424 175.900 0.102 0.000 0.991 172 Y CA -3.072 55.098 58.100 0.117 0.000 1.121 172 Y CB -0.074 38.507 38.460 0.202 0.000 1.159 172 Y HN -0.564 7.681 8.280 0.087 0.087 0.651 173 P HA -0.025 4.560 4.420 0.103 -0.103 0.261 173 P C 0.544 177.912 177.300 0.113 0.000 1.183 173 P CA 0.520 63.686 63.100 0.110 0.000 0.761 173 P CB 0.134 31.872 31.700 0.062 0.000 0.785 174 G N 5.287 114.145 108.800 0.097 0.000 2.166 174 G HA2 -0.252 3.745 3.960 0.063 0.000 0.260 174 G HA3 -0.252 3.740 3.960 0.053 0.000 0.260 174 G C 0.021 174.971 174.900 0.082 0.000 0.986 174 G CA 0.875 46.018 45.100 0.073 0.000 0.683 174 G HN 0.492 8.838 8.290 0.093 0.000 0.527 175 Q N -2.165 117.721 119.800 0.143 0.000 2.316 175 Q HA 0.072 4.446 4.340 0.057 0.000 0.235 175 Q C -0.150 175.977 176.000 0.210 0.000 0.863 175 Q CA -0.046 55.847 55.803 0.150 0.000 0.939 175 Q CB 1.564 30.440 28.738 0.230 0.000 1.108 175 Q HN -0.325 7.993 8.270 0.184 0.062 0.522 176 I N 0.062 120.757 120.570 0.208 0.000 2.365 176 I HA -0.010 4.299 4.170 0.232 0.000 0.291 176 I C 0.044 176.236 176.117 0.124 0.000 1.004 176 I CA -1.886 59.524 61.300 0.183 0.000 1.311 176 I CB -0.817 37.279 38.000 0.160 0.000 1.401 176 I HN -0.603 7.723 8.210 0.194 0.000 0.491 177 T N 2.314 116.939 114.554 0.118 0.000 2.922 177 T HA 0.379 4.770 4.350 0.068 0.000 0.281 177 T C 0.757 175.507 174.700 0.084 0.000 1.005 177 T CA -2.125 60.025 62.100 0.083 0.000 0.982 177 T CB 2.615 71.525 68.868 0.070 0.000 1.158 177 T HN -0.408 7.918 8.240 0.144 0.000 0.566 178 S N -1.909 113.827 115.700 0.060 0.000 2.507 178 S HA -0.238 4.270 4.470 0.063 0.000 0.235 178 S C 0.365 175.005 174.600 0.067 0.000 0.988 178 S CA 2.227 60.458 58.200 0.053 0.000 0.944 178 S CB -0.209 63.004 63.200 0.021 0.000 0.762 178 S HN 0.280 8.617 8.310 0.046 0.000 0.526 179 N N 0.279 119.031 118.700 0.087 0.000 2.276 179 N HA 0.154 4.958 4.740 0.107 0.000 0.212 179 N C -1.644 173.985 175.510 0.198 0.000 1.127 179 N CA -0.400 52.733 53.050 0.139 0.000 0.834 179 N CB 0.740 39.333 38.487 0.176 0.000 1.014 179 N HN -0.636 7.726 8.380 0.083 0.068 0.491 180 M N -1.276 118.425 119.600 0.168 0.000 2.593 180 M HA 0.793 5.537 4.480 0.090 -0.210 0.290 180 M C -2.222 174.187 176.300 0.181 0.000 1.244 180 M CA -0.323 55.049 55.300 0.120 0.000 0.857 180 M CB 5.077 37.719 32.600 0.070 0.000 1.738 180 M HN -0.740 7.548 8.290 0.148 0.090 0.461 181 F N -5.402 114.584 119.950 0.061 0.000 2.662 181 F HA 0.627 5.177 4.527 0.039 0.000 0.312 181 F C -2.682 173.165 175.800 0.078 0.000 1.113 181 F CA -2.201 55.833 58.000 0.057 0.000 0.951 181 F CB 2.323 41.356 39.000 0.055 0.000 1.344 181 F HN 0.068 8.213 8.300 -0.258 0.000 0.462 182 c N -0.428 118.315 118.600 0.238 0.000 2.435 182 c HA 0.992 5.785 4.570 0.055 -0.190 0.333 182 c C -1.218 173.051 174.090 0.297 0.000 1.202 182 c CA -1.198 55.225 56.329 0.157 0.000 1.830 182 c CB 3.027 45.597 42.510 0.099 0.000 2.326 182 c HN 0.882 9.306 8.230 0.323 0.000 0.507 183 A N 2.872 125.856 122.820 0.274 0.000 2.446 183 A HA 0.650 5.143 4.320 0.076 -0.128 0.282 183 A C -2.316 175.316 177.584 0.080 0.000 1.102 183 A CA -0.507 51.605 52.037 0.125 0.000 0.737 183 A CB 2.705 21.690 19.000 -0.026 0.000 1.212 183 A HN 0.277 8.639 8.150 0.354 0.000 0.434 184 Y N 2.700 123.032 120.300 0.053 0.000 2.365 184 Y HA 0.078 4.665 4.550 0.033 -0.017 0.340 184 Y C 1.077 176.994 175.900 0.028 0.000 1.016 184 Y CA -0.265 57.857 58.100 0.036 0.000 1.196 184 Y CB 0.517 38.995 38.460 0.031 0.000 1.167 184 Y HN 0.268 8.689 8.280 0.234 0.000 0.509 185 L N 4.112 125.409 121.223 0.122 0.000 2.201 185 L HA -0.323 4.051 4.340 0.056 0.000 0.212 185 L C 1.089 178.005 176.870 0.077 0.000 1.105 185 L CA 2.435 57.317 54.840 0.071 0.000 0.775 185 L CB -0.482 41.598 42.059 0.035 0.000 0.913 185 L HN 0.560 8.848 8.230 0.096 0.000 0.440 186 E N -2.580 117.683 120.200 0.106 0.000 2.268 186 E HA -0.162 4.217 4.350 0.047 0.000 0.195 186 E C 0.841 177.477 176.600 0.061 0.000 0.995 186 E CA 0.500 56.942 56.400 0.069 0.000 0.836 186 E CB -0.447 29.291 29.700 0.063 0.000 0.763 186 E HN 0.230 8.653 8.360 0.149 0.026 0.491 187 G N 0.605 109.462 108.800 0.095 0.000 3.409 187 G HA2 -0.387 3.699 3.960 0.095 0.000 0.686 187 G HA3 -0.387 3.646 3.960 0.048 -0.044 0.686 187 G C -0.976 173.950 174.900 0.042 0.000 1.017 187 G CA -0.331 44.813 45.100 0.073 0.000 0.854 187 G HN -0.606 7.611 8.290 0.150 0.163 0.508 188 K N 1.840 122.239 120.400 -0.001 0.000 7.247 188 K HA -0.594 3.992 4.320 0.012 -0.258 0.645 188 K C -1.283 175.408 176.600 0.153 0.000 2.569 188 K CA 0.827 57.134 56.287 0.034 0.000 1.924 188 K CB 0.183 32.620 32.500 -0.104 0.000 1.930 188 K HN 0.287 8.560 8.250 0.038 0.000 0.292 189 D N 0.108 120.581 120.400 0.122 0.000 2.808 189 D HA 0.248 5.003 4.640 0.192 0.000 0.294 189 D C -1.925 174.439 176.300 0.107 0.000 1.278 189 D CA -0.522 53.562 54.000 0.140 0.000 0.756 189 D CB 3.738 44.603 40.800 0.109 0.000 1.271 189 D HN 0.070 8.488 8.370 0.080 0.000 0.425 190 S N -1.425 114.353 115.700 0.130 0.000 2.707 190 S HA 0.247 4.768 4.470 0.085 0.000 0.276 190 S C -1.490 173.149 174.600 0.066 0.000 1.179 190 S CA -0.301 57.965 58.200 0.110 0.000 0.992 190 S CB 1.601 64.909 63.200 0.181 0.000 1.030 190 S HN 0.278 8.684 8.310 0.160 0.000 0.554 191 c N -1.301 117.338 118.600 0.065 0.000 3.314 191 c HA 0.272 4.875 4.570 0.054 0.000 0.344 191 c C -1.236 172.917 174.090 0.104 0.000 1.461 191 c CA -0.963 55.401 56.329 0.058 0.000 1.249 191 c CB 3.053 45.573 42.510 0.016 0.000 1.632 191 c HN 0.335 8.888 8.230 0.080 -0.275 0.452 192 Q N 1.276 121.150 119.800 0.123 0.000 2.361 192 Q HA -0.135 4.329 4.340 0.206 0.000 0.276 192 Q C 0.702 176.876 176.000 0.290 0.000 1.022 192 Q CA 1.007 56.932 55.803 0.204 0.000 0.898 192 Q CB -0.119 28.744 28.738 0.210 0.000 1.246 192 Q HN 0.608 8.936 8.270 0.096 0.000 0.410 193 G N 4.312 113.309 108.800 0.330 0.000 2.259 193 G HA2 -0.392 3.805 3.960 0.396 0.000 0.217 193 G HA3 -0.392 3.928 3.960 0.600 0.000 0.217 193 G C 0.382 175.522 174.900 0.400 0.000 1.001 193 G CA 0.943 46.309 45.100 0.442 0.000 0.627 193 G HN 0.756 9.218 8.290 0.286 0.000 0.501 194 D N 1.343 121.908 120.400 0.275 0.000 2.346 194 D HA 0.107 4.897 4.640 0.250 0.000 0.206 194 D C -0.060 176.352 176.300 0.188 0.000 1.001 194 D CA 0.929 55.059 54.000 0.217 0.000 0.871 194 D CB 0.556 41.444 40.800 0.147 0.000 0.943 194 D HN 0.024 8.430 8.370 0.240 0.108 0.518 195 S N -0.549 115.268 115.700 0.195 0.000 2.573 195 S HA -0.338 4.387 4.470 0.198 -0.136 0.297 195 S C 1.251 175.890 174.600 0.065 0.000 1.280 195 S CA 2.523 60.830 58.200 0.177 0.000 1.061 195 S CB -0.269 63.113 63.200 0.304 0.000 0.812 195 S HN -0.241 8.161 8.310 0.223 0.042 0.500 196 G N 4.573 113.399 108.800 0.043 0.000 2.225 196 G HA2 -0.454 3.569 3.960 -0.003 0.000 0.254 196 G HA3 -0.454 3.587 3.960 -0.044 -0.108 0.254 196 G C -0.239 174.706 174.900 0.075 0.000 0.988 196 G CA 0.399 45.505 45.100 0.009 0.000 0.625 196 G HN 0.764 9.004 8.290 0.095 0.107 0.527 197 G N 0.828 109.696 108.800 0.114 0.000 2.616 197 G HA2 0.312 4.422 3.960 0.137 0.000 0.268 197 G HA3 0.312 4.352 3.960 0.134 0.000 0.268 197 G C -2.587 172.400 174.900 0.145 0.000 1.213 197 G CA -1.987 43.194 45.100 0.135 0.000 0.926 197 G HN -0.339 7.933 8.290 0.123 0.092 0.523 198 P HA 0.298 4.922 4.420 0.127 -0.128 0.281 198 P C -1.575 175.790 177.300 0.108 0.000 1.249 198 P CA -0.715 62.474 63.100 0.148 0.000 0.810 198 P CB 1.503 33.344 31.700 0.234 0.000 1.008 199 V N 1.953 121.907 119.914 0.068 0.000 2.462 199 V HA 0.316 4.610 4.120 -0.014 -0.183 0.288 199 V C -1.312 174.788 176.094 0.010 0.000 1.020 199 V CA -0.427 61.876 62.300 0.006 0.000 0.857 199 V CB 2.023 33.823 31.823 -0.039 0.000 1.013 199 V HN -0.249 7.985 8.190 0.073 0.000 0.431 200 V N 7.965 127.875 119.914 -0.007 0.000 2.459 200 V HA 0.680 4.949 4.120 -0.075 -0.193 0.295 200 V C -1.358 174.714 176.094 -0.037 0.000 1.029 200 V CA -1.308 60.959 62.300 -0.054 0.000 0.874 200 V CB 3.052 34.810 31.823 -0.109 0.000 0.985 200 V HN 0.498 8.699 8.190 0.019 0.000 0.438 201 c N 6.419 124.985 118.600 -0.056 0.000 2.482 201 c HA 0.605 5.152 4.570 -0.039 0.000 0.317 201 c C 0.564 174.622 174.090 -0.053 0.000 1.197 201 c CA -1.641 54.654 56.329 -0.057 0.000 1.432 201 c CB 1.986 44.441 42.510 -0.091 0.000 2.062 201 c HN 0.727 8.917 8.230 -0.068 0.000 0.471 202 S N 5.366 121.043 115.700 -0.037 0.000 3.549 202 S HA -0.386 4.072 4.470 -0.020 0.000 0.366 202 S C 0.109 174.690 174.600 -0.032 0.000 1.012 202 S CA 1.283 59.464 58.200 -0.031 0.000 1.141 202 S CB -0.945 62.233 63.200 -0.038 0.000 0.910 202 S HN 1.221 9.515 8.310 -0.028 0.000 0.471 203 G N -5.119 103.661 108.800 -0.033 0.000 2.162 203 G HA2 -0.371 3.567 3.960 -0.037 0.000 0.260 203 G HA3 -0.371 3.572 3.960 -0.028 0.000 0.260 203 G C -0.794 174.063 174.900 -0.073 0.000 0.976 203 G CA 0.372 45.447 45.100 -0.042 0.000 0.655 203 G HN 0.420 8.677 8.290 -0.026 0.017 0.533 210 Q N 1.183 120.999 119.800 0.026 0.000 2.392 210 Q HA 0.209 4.584 4.340 0.058 0.000 0.219 210 Q C -0.269 175.889 176.000 0.263 0.000 0.895 210 Q CA 0.138 55.979 55.803 0.064 0.000 0.929 210 Q CB 2.746 31.437 28.738 -0.079 0.000 1.077 210 Q HN 0.419 8.694 8.270 0.008 0.000 0.532 211 G N -2.932 106.034 108.800 0.277 0.000 2.694 211 G HA2 0.602 5.061 3.960 0.411 0.000 0.290 211 G HA3 0.602 4.827 3.960 0.442 0.000 0.290 211 G C -3.248 171.776 174.900 0.207 0.000 1.386 211 G CA -0.651 44.662 45.100 0.354 0.000 0.872 211 G HN -0.250 8.139 8.290 0.165 0.000 0.475 212 I N -1.370 119.322 120.570 0.203 0.000 2.498 212 I HA 0.554 5.045 4.170 0.165 -0.222 0.290 212 I C -0.469 175.781 176.117 0.222 0.000 1.032 212 I CA -1.370 60.032 61.300 0.171 0.000 1.073 212 I CB 4.272 42.336 38.000 0.107 0.000 1.251 212 I HN -0.419 7.908 8.210 0.195 0.000 0.426 213 V N 7.377 127.436 119.914 0.242 0.000 2.458 213 V HA -0.224 3.979 4.120 0.138 0.000 0.287 213 V C -1.149 174.994 176.094 0.082 0.000 1.009 213 V CA 2.113 64.516 62.300 0.171 0.000 1.091 213 V CB -1.104 30.836 31.823 0.195 0.000 0.960 213 V HN 0.471 8.788 8.190 0.211 0.000 0.476 214 S N 8.359 124.006 115.700 -0.089 0.000 3.142 214 S HA 0.371 5.063 4.470 0.371 0.000 0.223 214 S C -1.136 173.529 174.600 0.108 0.000 0.939 214 S CA 0.708 58.980 58.200 0.119 0.000 0.826 214 S CB 2.148 65.404 63.200 0.092 0.000 0.823 214 S HN -0.024 8.028 8.310 -0.429 0.000 0.612 215 W N -3.717 117.405 121.300 -0.297 0.000 2.940 215 W HA 0.304 4.829 4.660 -0.226 0.000 0.394 215 W C -2.791 173.542 176.519 -0.310 0.000 1.155 215 W CA -1.026 56.150 57.345 -0.282 0.000 1.165 215 W CB 1.756 31.046 29.460 -0.283 0.000 1.492 215 W HN 0.002 7.856 8.180 -0.543 0.000 0.593 216 G N -2.637 106.197 108.800 0.056 0.000 2.428 216 G HA2 0.205 3.884 3.960 -0.467 0.000 0.304 216 G HA3 0.205 4.099 3.960 -0.109 0.000 0.304 216 G C -2.270 172.756 174.900 0.210 0.000 1.303 216 G CA 0.171 45.212 45.100 -0.099 0.000 0.825 216 G HN -0.014 8.488 8.290 0.354 0.000 0.484 220 c N 1.800 120.432 118.600 0.055 0.000 3.465 220 c HA 0.310 5.052 4.570 0.053 -0.140 0.193 220 c C -1.290 172.827 174.090 0.045 0.000 1.515 220 c CA -1.361 54.996 56.329 0.047 0.000 1.340 220 c CB -1.647 40.882 42.510 0.032 0.000 1.928 220 c HN 0.273 8.532 8.230 0.048 0.000 0.510 221 Q N -2.027 117.803 119.800 0.049 0.000 2.962 221 Q HA 0.093 4.451 4.340 0.030 0.000 0.270 221 Q C -1.629 174.392 176.000 0.034 0.000 0.949 221 Q CA -0.766 55.059 55.803 0.037 0.000 0.829 221 Q CB 1.897 30.657 28.738 0.036 0.000 1.869 221 Q HN -0.076 8.229 8.270 0.057 0.000 0.494 222 K N 3.298 123.712 120.400 0.022 0.000 2.350 222 K HA -0.215 4.173 4.320 0.033 -0.049 0.279 222 K C 0.067 176.665 176.600 -0.003 0.000 1.027 222 K CA 0.953 57.250 56.287 0.018 0.000 0.969 222 K CB 0.296 32.804 32.500 0.012 0.000 0.954 222 K HN 0.226 8.488 8.250 0.019 0.000 0.474 223 N N 2.630 121.326 118.700 -0.007 0.000 2.713 223 N HA -0.461 4.258 4.740 -0.035 0.000 0.251 223 N C -1.600 173.844 175.510 -0.110 0.000 1.117 223 N CA 1.974 54.995 53.050 -0.048 0.000 0.770 223 N CB -0.781 37.671 38.487 -0.059 0.000 1.137 223 N HN 0.843 9.109 8.380 0.014 0.123 0.566 224 K N -1.340 119.022 120.400 -0.064 0.000 2.762 224 K HA 0.528 4.679 4.320 -0.283 0.000 0.180 224 K C -2.417 174.230 176.600 0.078 0.000 1.067 224 K CA -3.712 52.537 56.287 -0.063 0.000 0.973 224 K CB 0.154 32.664 32.500 0.016 0.000 1.290 224 K HN -0.791 7.390 8.250 -0.011 0.063 0.604 225 P HA -0.067 4.414 4.420 0.102 0.000 0.273 225 P C -0.735 176.602 177.300 0.062 0.000 1.250 225 P CA -0.379 62.782 63.100 0.103 0.000 0.793 225 P CB 1.157 32.910 31.700 0.088 0.000 1.011 226 G N -2.730 106.077 108.800 0.013 0.000 2.507 226 G HA2 0.278 4.043 3.960 -0.325 0.000 0.271 226 G HA3 0.278 4.136 3.960 -0.279 -0.065 0.271 226 G C -1.595 172.955 174.900 -0.584 0.000 1.189 226 G CA -0.750 44.177 45.100 -0.288 0.000 0.859 226 G HN -0.478 7.883 8.290 0.119 0.000 0.542 227 V N 1.044 120.296 119.914 -1.104 0.000 2.513 227 V HA 0.593 4.420 4.120 -0.754 -0.160 0.299 227 V C -0.943 174.359 176.094 -1.319 0.000 1.035 227 V CA -0.958 60.635 62.300 -1.179 0.000 0.889 227 V CB 2.224 32.904 31.823 -1.904 0.000 0.988 227 V HN 0.617 8.037 8.190 -1.115 0.100 0.440 228 Y N 4.968 124.852 120.300 -0.694 0.000 2.499 228 Y HA 0.573 5.045 4.550 -0.372 -0.145 0.347 228 Y C 0.248 175.867 175.900 -0.467 0.000 0.987 228 Y CA -2.246 55.470 58.100 -0.640 0.000 1.044 228 Y CB 3.734 41.550 38.460 -1.074 0.000 1.245 228 Y HN 1.034 8.906 8.280 -0.680 0.000 0.461 229 T N 4.960 119.488 114.554 -0.043 0.000 2.870 229 T HA 0.005 4.571 4.350 0.111 -0.149 0.300 229 T C -0.576 174.271 174.700 0.245 0.000 0.989 229 T CA 1.529 63.687 62.100 0.096 0.000 1.139 229 T CB 0.465 69.373 68.868 0.067 0.000 0.920 229 T HN 0.392 8.636 8.240 0.007 0.000 0.537 230 K N 8.348 128.974 120.400 0.376 0.000 2.150 230 K HA 0.126 4.877 4.320 0.718 0.000 0.261 230 K C 1.070 177.930 176.600 0.434 0.000 1.127 230 K CA -0.662 55.922 56.287 0.496 0.000 0.989 230 K CB -0.479 32.261 32.500 0.401 0.000 1.475 230 K HN 0.199 8.548 8.250 0.337 0.103 0.391 231 V N 5.365 125.516 119.914 0.396 0.000 2.453 231 V HA -0.558 3.869 4.120 0.511 0.000 0.252 231 V C 1.425 177.689 176.094 0.284 0.000 1.068 231 V CA 3.895 66.416 62.300 0.368 0.000 1.070 231 V CB -0.395 31.567 31.823 0.231 0.000 0.664 231 V HN 0.193 8.623 8.190 0.401 0.000 0.461 232 c N -4.080 114.619 118.600 0.165 0.000 2.409 232 c HA -0.194 4.422 4.570 0.077 0.000 0.284 232 c C 1.465 175.574 174.090 0.032 0.000 1.354 232 c CA 1.385 57.760 56.329 0.076 0.000 1.787 232 c CB -2.127 40.396 42.510 0.021 0.000 1.900 232 c HN 0.479 8.781 8.230 0.161 0.024 0.520 233 N N 0.722 119.408 118.700 -0.023 0.000 2.467 233 N HA -0.053 4.591 4.740 -0.160 0.000 0.184 233 N C 0.227 175.502 175.510 -0.392 0.000 1.106 233 N CA 1.009 53.901 53.050 -0.263 0.000 0.892 233 N CB 0.019 38.213 38.487 -0.489 0.000 0.969 233 N HN -0.262 8.111 8.380 0.065 0.046 0.454 234 Y N -4.104 116.274 120.300 0.130 0.000 2.557 234 Y HA 0.163 4.866 4.550 0.255 0.000 0.247 234 Y C 0.377 176.421 175.900 0.240 0.000 1.164 234 Y CA -0.517 57.722 58.100 0.232 0.000 1.218 234 Y CB -0.124 38.509 38.460 0.289 0.000 1.210 234 Y HN -0.177 8.037 8.280 0.204 0.188 0.529 235 V N 1.260 121.314 119.914 0.235 0.000 2.332 235 V HA -0.565 3.642 4.120 0.146 0.000 0.248 235 V C 1.451 177.611 176.094 0.109 0.000 1.055 235 V CA 5.128 67.514 62.300 0.144 0.000 1.038 235 V CB -0.721 31.148 31.823 0.078 0.000 0.651 235 V HN -0.237 8.053 8.190 0.168 0.000 0.450 236 S N -0.238 115.533 115.700 0.117 0.000 2.368 236 S HA -0.313 4.177 4.470 0.033 0.000 0.224 236 S C 1.781 176.447 174.600 0.111 0.000 1.029 236 S CA 3.009 61.259 58.200 0.083 0.000 0.988 236 S CB -0.371 62.876 63.200 0.079 0.000 0.838 236 S HN -0.057 8.324 8.310 0.119 0.000 0.462 237 W N 3.804 125.141 121.300 0.061 0.000 2.355 237 W HA -0.250 4.426 4.660 0.026 0.000 0.309 237 W C 1.171 177.698 176.519 0.012 0.000 1.206 237 W CA 3.345 60.730 57.345 0.066 0.000 1.284 237 W CB -0.066 29.510 29.460 0.194 0.000 1.145 237 W HN -0.441 7.967 8.180 0.379 0.000 0.502 238 I N -0.729 119.787 120.570 -0.089 0.000 2.099 238 I HA -0.769 2.890 4.170 -0.852 0.000 0.239 238 I C 1.870 177.729 176.117 -0.430 0.000 1.066 238 I CA 4.597 65.652 61.300 -0.407 0.000 1.324 238 I CB -0.230 37.714 38.000 -0.092 0.000 1.037 238 I HN 0.447 8.821 8.210 0.272 0.000 0.401 239 K N -1.738 118.522 120.400 -0.233 0.000 2.063 239 K HA -0.497 3.672 4.320 -0.252 0.000 0.208 239 K C 2.565 179.014 176.600 -0.252 0.000 1.048 239 K CA 3.818 59.974 56.287 -0.218 0.000 0.928 239 K CB -0.405 32.029 32.500 -0.110 0.000 0.713 239 K HN -0.021 8.157 8.250 -0.121 0.000 0.442 240 Q N -1.248 118.416 119.800 -0.226 0.000 2.079 240 Q HA -0.309 3.942 4.340 -0.148 0.000 0.200 240 Q C 2.260 178.084 176.000 -0.293 0.000 0.974 240 Q CA 3.604 59.288 55.803 -0.198 0.000 0.840 240 Q CB -0.124 28.547 28.738 -0.112 0.000 0.898 240 Q HN 0.122 8.279 8.270 -0.188 0.000 0.430 241 T N 2.316 116.577 114.554 -0.489 0.000 2.708 241 T HA -0.331 3.799 4.350 -0.368 0.000 0.266 241 T C 2.519 176.873 174.700 -0.577 0.000 1.037 241 T CA 5.235 66.997 62.100 -0.563 0.000 1.146 241 T CB -0.257 68.016 68.868 -0.991 0.000 0.865 241 T HN -0.038 7.848 8.240 -0.589 0.000 0.435 242 I N -2.118 117.970 120.570 -0.803 0.000 2.394 242 I HA -0.247 3.071 4.170 -1.421 0.000 0.251 242 I C 1.415 177.303 176.117 -0.381 0.000 1.136 242 I CA 3.159 63.844 61.300 -1.025 0.000 1.425 242 I CB -0.705 36.466 38.000 -1.382 0.000 1.079 242 I HN 0.018 7.755 8.210 -0.789 0.000 0.425 243 A N 0.067 122.721 122.820 -0.278 0.000 2.066 243 A HA -0.098 4.181 4.320 -0.069 0.000 0.218 243 A C 0.881 178.428 177.584 -0.061 0.000 1.157 243 A CA 2.381 54.348 52.037 -0.117 0.000 0.670 243 A CB -0.438 18.498 19.000 -0.106 0.000 0.804 243 A HN -0.149 7.785 8.150 -0.335 0.015 0.453 244 S N -3.556 112.094 115.700 -0.084 0.000 2.572 244 S HA 0.165 4.630 4.470 -0.008 0.000 0.228 244 S C -0.928 173.689 174.600 0.029 0.000 0.963 244 S CA 0.432 58.616 58.200 -0.027 0.000 0.939 244 S CB 0.637 63.811 63.200 -0.044 0.000 0.804 244 S HN -0.511 7.552 8.310 -0.159 0.151 0.480 245 N N 0.000 118.755 118.700 0.092 0.000 1.763 245 N HA 0.000 4.828 4.740 0.146 0.000 0.220 245 N CA 0.000 53.183 53.050 0.222 0.000 0.885 245 N CB 0.000 38.678 38.487 0.319 0.000 1.341 245 N HN 0.000 8.258 8.380 0.071 0.165 0.667