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 1utn_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 ITSNMFcGYL EGKDSCQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGAQKNKP 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 0.000 176.097 176.117 -0.034 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 16 I CB 0.000 37.956 38.000 -0.073 0.000 1.214 17 V N 6.437 126.346 119.914 -0.008 0.000 2.439 17 V HA 0.194 4.445 4.120 -0.026 -0.147 0.282 17 V C 0.691 176.785 176.094 -0.001 0.000 1.039 17 V CA -1.316 60.978 62.300 -0.011 0.000 0.913 17 V CB 0.749 32.571 31.823 -0.001 0.000 0.983 17 V HN 0.766 8.963 8.190 0.012 0.000 0.460 18 G N 7.063 115.857 108.800 -0.010 0.000 2.147 18 G HA2 -0.405 3.709 3.960 -0.028 0.000 0.244 18 G HA3 -0.405 3.546 3.960 -0.016 0.000 0.244 18 G C -1.000 173.908 174.900 0.013 0.000 1.005 18 G CA 0.569 45.661 45.100 -0.013 0.000 0.713 18 G HN 0.709 8.990 8.290 -0.015 0.000 0.515 19 G N -1.164 107.651 108.800 0.026 0.000 2.782 19 G HA2 0.520 4.622 3.960 -0.001 0.000 0.201 19 G HA3 0.520 4.571 3.960 0.153 0.000 0.201 19 G C -1.394 173.590 174.900 0.139 0.000 1.374 19 G CA -1.150 43.996 45.100 0.076 0.000 1.039 19 G HN -0.672 7.579 8.290 0.002 0.040 0.576 20 Y N -5.636 114.640 120.300 -0.040 0.000 2.588 20 Y HA 0.360 4.889 4.550 -0.035 0.000 0.343 20 Y C -1.778 174.092 175.900 -0.049 0.000 1.065 20 Y CA -2.706 55.371 58.100 -0.039 0.000 1.038 20 Y CB 1.264 39.705 38.460 -0.032 0.000 1.297 20 Y HN 0.086 8.240 8.280 -0.210 0.000 0.467 21 T N 3.320 117.900 114.554 0.043 0.000 2.817 21 T HA 0.010 4.281 4.350 -0.131 0.000 0.295 21 T C 0.058 174.728 174.700 -0.049 0.000 0.958 21 T CA 1.585 63.657 62.100 -0.048 0.000 1.157 21 T CB 0.052 68.930 68.868 0.017 0.000 0.898 21 T HN 0.127 8.443 8.240 0.125 0.000 0.536 22 c N 5.930 124.404 118.600 -0.210 0.000 2.429 22 c HA -0.164 4.293 4.570 -0.187 0.000 0.277 22 c C 0.215 174.302 174.090 -0.005 0.000 1.262 22 c CA 1.295 57.525 56.329 -0.165 0.000 1.733 22 c CB -0.086 42.276 42.510 -0.247 0.000 2.010 22 c HN 0.305 8.379 8.230 -0.260 0.000 0.483 23 G N -2.933 105.854 108.800 -0.021 0.000 2.911 23 G HA2 -0.233 3.739 3.960 0.021 0.000 0.686 23 G HA3 -0.233 3.735 3.960 0.014 0.000 0.686 23 G C -2.106 172.787 174.900 -0.011 0.000 1.136 23 G CA -1.046 44.057 45.100 0.005 0.000 0.764 23 G HN -0.462 7.801 8.290 -0.045 0.000 0.626 24 A N 4.691 127.515 122.820 0.006 0.000 2.548 24 A HA -0.187 4.296 4.320 0.018 -0.153 0.247 24 A C 0.032 177.618 177.584 0.003 0.000 1.067 24 A CA 1.270 53.316 52.037 0.014 0.000 0.757 24 A CB -0.041 18.975 19.000 0.027 0.000 0.996 24 A HN 0.178 8.336 8.150 0.014 0.000 0.504 25 N N -1.710 116.988 118.700 -0.004 0.000 2.741 25 N HA -0.320 4.410 4.740 -0.018 0.000 0.251 25 N C 0.632 176.124 175.510 -0.030 0.000 1.112 25 N CA 1.568 54.611 53.050 -0.011 0.000 0.750 25 N CB -1.330 37.163 38.487 0.011 0.000 1.119 25 N HN 0.430 8.810 8.380 -0.000 0.000 0.561 26 T N -3.275 111.252 114.554 -0.044 0.000 3.118 26 T HA -0.051 4.290 4.350 -0.014 0.000 0.260 26 T C -0.271 174.376 174.700 -0.088 0.000 1.139 26 T CA 2.312 64.389 62.100 -0.038 0.000 1.085 26 T CB 0.185 69.046 68.868 -0.012 0.000 0.934 26 T HN -0.356 7.789 8.240 -0.046 0.068 0.518 27 V N 3.129 122.926 119.914 -0.194 0.000 2.320 27 V HA 0.418 4.275 4.120 -0.437 0.000 0.257 27 V C -1.525 174.253 176.094 -0.527 0.000 0.996 27 V CA -3.714 58.316 62.300 -0.450 0.000 0.928 27 V CB -0.269 31.256 31.823 -0.497 0.000 1.169 27 V HN -0.368 7.657 8.190 -0.171 0.063 0.475 28 P HA 0.166 4.535 4.420 -0.085 0.000 0.237 28 P C -0.020 177.253 177.300 -0.045 0.000 1.178 28 P CA 1.275 64.314 63.100 -0.102 0.000 0.766 28 P CB -0.153 31.556 31.700 0.015 0.000 0.876 29 Y N -5.348 114.979 120.300 0.044 0.000 2.500 29 Y HA 0.439 5.163 4.550 0.059 -0.139 0.270 29 Y C -0.444 175.495 175.900 0.065 0.000 1.134 29 Y CA -3.029 55.103 58.100 0.053 0.000 1.293 29 Y CB -1.165 37.322 38.460 0.045 0.000 1.063 29 Y HN -0.437 7.410 8.280 -0.620 0.061 0.534 30 Q N 2.838 122.481 119.800 -0.261 0.000 2.297 30 Q HA 0.119 4.616 4.340 0.036 -0.136 0.267 30 Q C -0.088 175.990 176.000 0.129 0.000 1.006 30 Q CA 0.251 56.014 55.803 -0.067 0.000 0.896 30 Q CB 0.756 29.351 28.738 -0.238 0.000 1.186 30 Q HN -0.675 7.216 8.270 -0.550 0.049 0.392 31 V N 1.393 121.426 119.914 0.199 0.000 2.919 31 V HA 0.706 5.070 4.120 0.220 -0.112 0.316 31 V C -1.981 174.292 176.094 0.298 0.000 1.077 31 V CA -3.373 59.052 62.300 0.208 0.000 0.977 31 V CB 3.036 34.927 31.823 0.113 0.000 1.039 31 V HN 0.114 8.415 8.190 0.184 0.000 0.441 32 S N 1.722 117.499 115.700 0.128 0.000 2.451 32 S HA 0.478 5.176 4.470 0.184 -0.118 0.301 32 S C -0.859 173.636 174.600 -0.175 0.000 1.116 32 S CA -1.751 56.450 58.200 0.002 0.000 1.093 32 S CB 1.401 64.406 63.200 -0.326 0.000 1.017 32 S HN -0.113 8.234 8.310 0.061 0.000 0.482 33 L N 6.836 127.831 121.223 -0.379 0.000 2.275 33 L HA 0.555 4.813 4.340 -0.348 -0.127 0.288 33 L C -1.118 175.347 176.870 -0.674 0.000 1.046 33 L CA -0.817 53.675 54.840 -0.580 0.000 0.805 33 L CB 0.893 42.417 42.059 -0.893 0.000 1.193 33 L HN 0.503 8.485 8.230 -0.412 0.000 0.426 38 G N -0.251 108.317 108.800 -0.387 0.000 2.195 38 G HA2 -0.197 3.697 3.960 -0.111 0.000 0.224 38 G HA3 -0.197 3.691 3.960 -0.120 0.000 0.224 38 G C -1.539 173.333 174.900 -0.047 0.000 0.990 38 G CA -0.176 44.811 45.100 -0.189 0.000 0.639 38 G HN 0.240 8.342 8.290 -0.314 0.000 0.514 39 Y N -7.358 112.923 120.300 -0.031 0.000 2.620 39 Y HA 0.128 4.650 4.550 -0.046 0.000 0.331 39 Y C -2.408 173.505 175.900 0.021 0.000 1.173 39 Y CA -2.637 55.450 58.100 -0.021 0.000 1.076 39 Y CB 1.103 39.548 38.460 -0.024 0.000 1.336 39 Y HN -0.883 7.051 8.280 -0.588 -0.007 0.459 40 H N 3.617 122.707 119.070 0.034 0.000 2.964 40 H HA -0.091 4.516 4.556 -0.185 -0.162 0.328 40 H C -0.455 174.979 175.328 0.177 0.000 1.030 40 H CA 0.437 56.454 56.048 -0.053 0.000 1.445 40 H CB 0.440 30.108 29.762 -0.158 0.000 1.449 40 H HN 0.217 8.615 8.280 0.198 0.000 0.581 41 F N 1.850 121.427 119.950 -0.622 0.000 2.876 41 F HA 0.309 4.750 4.527 -0.144 0.000 0.344 41 F C -1.543 174.027 175.800 -0.384 0.000 1.029 41 F CA -0.705 57.104 58.000 -0.319 0.000 1.154 41 F CB 1.589 40.556 39.000 -0.056 0.000 1.040 41 F HN 0.019 7.685 8.300 -1.057 0.000 0.576 42 c N -1.263 116.664 118.600 -1.123 0.000 3.312 42 c HA 0.348 4.848 4.570 -0.206 -0.053 0.332 42 c C -1.492 172.399 174.090 -0.331 0.000 1.340 42 c CA -0.124 55.891 56.329 -0.524 0.000 1.265 42 c CB 3.964 46.213 42.510 -0.435 0.000 1.563 42 c HN -0.823 6.458 8.230 -1.581 0.000 0.471 43 G N -0.736 108.071 108.800 0.012 0.000 2.537 43 G HA2 0.721 4.803 3.960 0.202 0.000 0.297 43 G HA3 0.721 4.967 3.960 0.221 -0.153 0.297 43 G C -2.116 172.805 174.900 0.035 0.000 1.310 43 G CA -1.393 43.788 45.100 0.136 0.000 1.027 43 G HN 0.481 8.795 8.290 0.039 0.000 0.505 44 G N -3.804 105.054 108.800 0.096 0.000 2.495 44 G HA2 0.293 4.293 3.960 0.067 0.000 0.294 44 G HA3 0.293 4.590 3.960 0.082 -0.289 0.294 44 G C -2.623 172.365 174.900 0.146 0.000 1.397 44 G CA 0.310 45.464 45.100 0.091 0.000 0.790 44 G HN -0.646 7.732 8.290 0.145 0.000 0.486 45 S N -0.944 114.849 115.700 0.155 0.000 2.594 45 S HA 0.748 5.562 4.470 0.270 -0.182 0.296 45 S C -1.417 173.293 174.600 0.182 0.000 1.124 45 S CA -0.171 58.155 58.200 0.210 0.000 1.011 45 S CB 3.059 66.372 63.200 0.189 0.000 1.016 45 S HN 0.161 8.551 8.310 0.134 0.000 0.485 46 L N 6.201 127.548 121.223 0.207 0.000 2.369 46 L HA 0.230 4.794 4.340 0.158 -0.129 0.279 46 L C -0.329 176.631 176.870 0.150 0.000 1.108 46 L CA 0.045 54.988 54.840 0.171 0.000 0.852 46 L CB 1.192 43.349 42.059 0.163 0.000 1.169 46 L HN 0.287 8.669 8.230 0.254 0.000 0.452 47 I N 0.324 120.979 120.570 0.142 0.000 4.070 47 I HA 0.427 4.790 4.170 0.074 -0.149 0.328 47 I C -1.053 175.127 176.117 0.105 0.000 1.298 47 I CA -0.591 60.770 61.300 0.101 0.000 1.173 47 I CB 0.789 38.837 38.000 0.080 0.000 1.051 47 I HN 0.193 8.504 8.210 0.168 0.000 0.409 48 N N -1.966 116.822 118.700 0.147 0.000 3.378 48 N HA 0.037 4.837 4.740 0.101 0.000 0.294 48 N C -0.057 175.530 175.510 0.128 0.000 1.544 48 N CA -0.418 52.711 53.050 0.131 0.000 0.872 48 N CB 0.761 39.329 38.487 0.135 0.000 1.670 48 N HN -0.885 7.600 8.380 0.175 0.000 0.551 49 S N -3.065 112.695 115.700 0.101 0.000 2.515 49 S HA -0.124 4.383 4.470 0.061 0.000 0.231 49 S C 0.842 175.461 174.600 0.031 0.000 0.987 49 S CA 2.265 60.503 58.200 0.063 0.000 0.936 49 S CB -0.131 63.096 63.200 0.045 0.000 0.766 49 S HN 0.457 8.827 8.310 0.101 0.000 0.528 50 Q N -2.687 117.135 119.800 0.036 0.000 2.189 50 Q HA 0.248 4.491 4.340 -0.161 0.000 0.223 50 Q C -1.149 174.655 176.000 -0.327 0.000 0.828 50 Q CA -0.165 55.544 55.803 -0.157 0.000 0.967 50 Q CB 1.571 30.173 28.738 -0.227 0.000 1.139 50 Q HN 0.136 8.425 8.270 0.122 0.055 0.497 51 W N -1.699 119.606 121.300 0.009 0.000 2.883 51 W HA 0.544 5.386 4.660 0.003 -0.181 0.335 51 W C -1.892 174.639 176.519 0.021 0.000 1.083 51 W CA -0.895 56.453 57.345 0.005 0.000 1.233 51 W CB 3.838 33.289 29.460 -0.016 0.000 1.412 51 W HN -0.639 7.673 8.180 0.220 0.000 0.490 52 V N 1.618 121.700 119.914 0.280 0.000 2.555 52 V HA 0.716 5.127 4.120 0.181 -0.183 0.302 52 V C -1.341 174.876 176.094 0.204 0.000 1.038 52 V CA -1.955 60.462 62.300 0.193 0.000 0.887 52 V CB 3.166 35.061 31.823 0.120 0.000 0.991 52 V HN 0.812 9.177 8.190 0.292 0.000 0.434 53 V N 6.523 126.533 119.914 0.161 0.000 2.427 53 V HA 0.536 5.072 4.120 0.159 -0.320 0.286 53 V C -1.361 174.799 176.094 0.110 0.000 1.034 53 V CA -1.477 60.908 62.300 0.141 0.000 0.893 53 V CB 0.570 32.468 31.823 0.125 0.000 0.982 53 V HN 0.467 8.749 8.190 0.152 0.000 0.452 54 S N 6.729 122.482 115.700 0.089 0.000 2.840 54 S HA 0.599 5.289 4.470 0.041 -0.195 0.307 54 S C -1.817 172.779 174.600 -0.006 0.000 1.180 54 S CA -1.901 56.321 58.200 0.036 0.000 0.846 54 S CB 3.497 66.705 63.200 0.013 0.000 1.233 54 S HN 0.386 8.760 8.310 0.106 0.000 0.548 55 A N 0.049 122.821 122.820 -0.080 0.000 2.331 55 A HA 0.410 4.829 4.320 -0.108 -0.165 0.283 55 A C 0.985 178.441 177.584 -0.212 0.000 1.142 55 A CA -0.942 51.001 52.037 -0.156 0.000 0.812 55 A CB 1.074 19.909 19.000 -0.276 0.000 1.074 55 A HN 0.425 8.518 8.150 -0.094 0.000 0.497 56 A N 5.011 127.636 122.820 -0.326 0.000 1.978 56 A HA -0.248 3.899 4.320 -0.288 0.000 0.220 56 A C 1.637 178.988 177.584 -0.387 0.000 1.170 56 A CA 3.011 54.736 52.037 -0.519 0.000 0.636 56 A CB -0.608 17.606 19.000 -1.311 0.000 0.810 56 A HN 0.640 8.617 8.150 -0.329 -0.025 0.448 57 H N -4.370 114.559 119.070 -0.236 0.000 2.561 57 H HA -0.098 4.530 4.556 0.120 0.000 0.278 57 H C 0.311 175.703 175.328 0.106 0.000 1.014 57 H CA 1.682 57.761 56.048 0.052 0.000 1.211 57 H CB -1.241 28.610 29.762 0.148 0.000 1.365 57 H HN -0.022 8.435 8.280 -0.176 -0.283 0.594 58 c N -2.011 116.479 118.600 -0.183 0.000 2.626 58 c HA -0.032 4.596 4.570 0.097 0.000 0.266 58 c C -0.399 173.772 174.090 0.136 0.000 1.317 58 c CA 0.432 56.772 56.329 0.018 0.000 1.716 58 c CB -1.845 40.644 42.510 -0.035 0.000 1.819 58 c HN -0.521 7.368 8.230 -0.285 0.170 0.578 59 Y N 2.864 123.174 120.300 0.017 0.000 2.811 59 Y HA -0.317 4.259 4.550 0.044 0.000 0.334 59 Y C -1.153 174.742 175.900 -0.008 0.000 1.247 59 Y CA 1.747 59.862 58.100 0.024 0.000 1.526 59 Y CB 0.539 39.004 38.460 0.008 0.000 1.284 59 Y HN -0.558 7.659 8.280 0.174 0.167 0.586 60 K N 4.919 124.577 120.400 -1.237 0.000 2.615 60 K HA 0.162 3.649 4.320 -1.387 0.000 0.291 60 K C -2.220 173.809 176.600 -0.952 0.000 1.017 60 K CA -1.130 54.458 56.287 -1.164 0.000 0.882 60 K CB 2.637 34.729 32.500 -0.680 0.000 1.522 60 K HN -0.247 7.423 8.250 -0.966 0.000 0.412 61 S N -1.545 113.826 115.700 -0.547 0.000 2.632 61 S HA 0.032 4.384 4.470 -0.196 0.000 0.267 61 S C 1.286 175.761 174.600 -0.209 0.000 1.276 61 S CA 0.206 58.260 58.200 -0.244 0.000 0.998 61 S CB 0.349 63.493 63.200 -0.093 0.000 0.953 61 S HN -0.134 7.890 8.310 -0.476 0.000 0.547 62 G N 0.782 109.507 108.800 -0.124 0.000 2.225 62 G HA2 -0.228 3.657 3.960 -0.126 0.000 0.264 62 G HA3 -0.228 3.683 3.960 -0.083 0.000 0.264 62 G C -0.867 173.966 174.900 -0.112 0.000 1.060 62 G CA 0.163 45.196 45.100 -0.112 0.000 0.833 62 G HN 0.258 8.495 8.290 -0.088 0.000 0.498 63 I N -0.726 119.798 120.570 -0.077 0.000 2.474 63 I HA -0.048 4.125 4.170 0.005 0.000 0.287 63 I C -1.682 174.406 176.117 -0.049 0.000 1.048 63 I CA -0.271 61.016 61.300 -0.022 0.000 1.383 63 I CB 0.663 38.683 38.000 0.033 0.000 1.412 63 I HN -0.385 7.781 8.210 -0.073 0.000 0.531 64 Q N 6.915 126.671 119.800 -0.075 0.000 2.322 64 Q HA 0.342 4.637 4.340 -0.076 0.000 0.265 64 Q C -1.529 174.396 176.000 -0.124 0.000 0.985 64 Q CA -1.349 54.392 55.803 -0.103 0.000 0.849 64 Q CB 3.049 31.695 28.738 -0.154 0.000 1.274 64 Q HN 0.380 8.606 8.270 -0.072 0.000 0.449 65 V N 7.439 127.304 119.914 -0.082 0.000 2.465 65 V HA 0.162 4.344 4.120 -0.097 -0.121 0.279 65 V C -0.963 175.103 176.094 -0.046 0.000 1.045 65 V CA -0.464 61.796 62.300 -0.067 0.000 0.938 65 V CB 0.297 32.104 31.823 -0.026 0.000 0.986 65 V HN 0.538 8.693 8.190 -0.059 0.000 0.467 66 R N 6.684 127.141 120.500 -0.071 0.000 2.337 66 R HA 0.566 5.152 4.340 0.149 -0.157 0.319 66 R C -0.779 175.572 176.300 0.086 0.000 0.954 66 R CA -1.286 54.817 56.100 0.005 0.000 0.840 66 R CB 1.462 31.622 30.300 -0.234 0.000 1.164 66 R HN 0.571 8.783 8.270 -0.096 0.000 0.472 70 E N -0.127 120.177 120.200 0.173 0.000 2.331 70 E HA -0.002 4.435 4.350 0.145 0.000 0.272 70 E C -1.617 175.168 176.600 0.308 0.000 1.036 70 E CA 0.699 57.220 56.400 0.201 0.000 0.864 70 E CB 0.773 30.534 29.700 0.101 0.000 1.035 70 E HN -0.574 7.816 8.360 0.192 0.085 0.408 71 D N 3.461 124.005 120.400 0.240 0.000 3.136 71 D HA 0.093 4.934 4.640 0.336 0.000 0.254 71 D C -0.768 175.726 176.300 0.322 0.000 1.563 71 D CA 1.127 55.288 54.000 0.268 0.000 1.225 71 D CB 2.396 43.275 40.800 0.131 0.000 1.079 71 D HN 0.115 8.585 8.370 0.168 0.000 0.314 72 N N 0.813 119.615 118.700 0.171 0.000 2.405 72 N HA 0.058 5.015 4.740 0.167 -0.117 0.260 72 N C 2.154 177.672 175.510 0.012 0.000 1.152 72 N CA -0.015 53.106 53.050 0.118 0.000 0.948 72 N CB 0.462 38.993 38.487 0.073 0.000 1.111 72 N HN -0.452 8.322 8.380 0.129 -0.316 0.485 73 I N 0.257 120.743 120.570 -0.139 0.000 3.291 73 I HA -0.097 4.051 4.170 -0.293 -0.154 0.279 73 I C -0.177 175.844 176.117 -0.160 0.000 1.294 73 I CA 1.455 62.558 61.300 -0.328 0.000 1.428 73 I CB -0.608 36.930 38.000 -0.770 0.000 1.070 73 I HN 0.248 8.392 8.210 -0.110 0.000 0.478 74 N N -2.600 116.057 118.700 -0.071 0.000 2.236 74 N HA 0.134 4.851 4.740 -0.039 0.000 0.196 74 N C -0.983 174.530 175.510 0.005 0.000 1.114 74 N CA 0.056 53.089 53.050 -0.029 0.000 0.859 74 N CB 1.874 40.354 38.487 -0.013 0.000 0.982 74 N HN -0.452 8.126 8.380 -0.051 -0.228 0.493 75 V N 0.521 120.445 119.914 0.017 0.000 2.638 75 V HA 0.050 4.187 4.120 0.028 0.000 0.306 75 V C -1.286 174.833 176.094 0.041 0.000 1.052 75 V CA -2.057 60.260 62.300 0.029 0.000 0.885 75 V CB 3.064 34.902 31.823 0.026 0.000 0.999 75 V HN -0.833 7.433 8.190 0.011 -0.069 0.424 76 V N 6.733 126.670 119.914 0.039 0.000 2.439 76 V HA -0.215 4.127 4.120 0.034 -0.202 0.271 76 V C 0.277 176.370 176.094 -0.002 0.000 1.040 76 V CA 0.435 62.746 62.300 0.019 0.000 1.002 76 V CB -0.998 30.820 31.823 -0.008 0.000 1.000 76 V HN 0.317 8.529 8.190 0.036 0.000 0.477 77 E N 8.768 128.967 120.200 -0.002 0.000 2.431 77 E HA 0.085 4.437 4.350 0.002 0.000 0.200 77 E C 0.523 177.115 176.600 -0.014 0.000 0.995 77 E CA 0.020 56.420 56.400 0.001 0.000 0.915 77 E CB 0.846 30.558 29.700 0.019 0.000 0.930 77 E HN 0.488 9.343 8.360 0.001 -0.495 0.496 78 G N -1.431 107.347 108.800 -0.037 0.000 2.421 78 G HA2 -0.265 3.675 3.960 -0.033 0.000 0.188 78 G HA3 -0.265 3.657 3.960 -0.063 0.000 0.188 78 G C -0.188 174.680 174.900 -0.052 0.000 1.001 78 G CA 0.262 45.333 45.100 -0.048 0.000 0.693 78 G HN 0.037 8.599 8.290 -0.046 -0.299 0.479 79 N N 0.164 118.842 118.700 -0.037 0.000 2.204 79 N HA 0.146 4.865 4.740 -0.035 0.000 0.219 79 N C -1.265 174.223 175.510 -0.037 0.000 1.151 79 N CA -0.544 52.489 53.050 -0.029 0.000 0.867 79 N CB 0.810 39.296 38.487 -0.001 0.000 1.043 79 N HN 0.365 8.730 8.380 -0.025 0.000 0.516 80 E N -0.046 120.102 120.200 -0.086 0.000 2.373 80 E HA 0.179 4.913 4.350 0.006 -0.381 0.263 80 E C -0.118 176.388 176.600 -0.157 0.000 1.073 80 E CA 0.136 56.478 56.400 -0.096 0.000 0.894 80 E CB 0.614 30.188 29.700 -0.210 0.000 1.008 80 E HN -0.381 7.850 8.360 -0.111 0.062 0.420 81 Q N 2.172 121.954 119.800 -0.030 0.000 2.310 81 Q HA 0.318 4.591 4.340 -0.111 0.000 0.270 81 Q C -1.510 174.615 176.000 0.209 0.000 1.025 81 Q CA -1.291 54.505 55.803 -0.011 0.000 0.772 81 Q CB 3.325 32.075 28.738 0.020 0.000 1.253 81 Q HN 0.378 8.685 8.270 0.062 0.000 0.450 82 F N 3.532 123.463 119.950 -0.031 0.000 2.388 82 F HA 0.696 5.364 4.527 -0.044 -0.167 0.358 82 F C 0.274 176.051 175.800 -0.039 0.000 1.122 82 F CA -3.228 54.748 58.000 -0.040 0.000 1.056 82 F CB 0.746 39.720 39.000 -0.043 0.000 1.155 82 F HN 0.256 8.570 8.300 0.023 0.000 0.461 83 I N 3.863 124.510 120.570 0.128 0.000 2.534 83 I HA 0.247 4.446 4.170 0.047 0.000 0.288 83 I C -1.050 175.067 176.117 0.001 0.000 1.077 83 I CA -1.457 59.870 61.300 0.046 0.000 1.051 83 I CB 3.852 41.862 38.000 0.017 0.000 1.234 83 I HN 0.688 8.966 8.210 0.113 0.000 0.425 84 S N 7.578 123.270 115.700 -0.012 0.000 2.572 84 S HA 0.057 4.503 4.470 -0.040 0.000 0.279 84 S C 0.030 174.599 174.600 -0.051 0.000 1.341 84 S CA 0.775 58.955 58.200 -0.034 0.000 1.043 84 S CB 0.492 63.673 63.200 -0.032 0.000 0.887 84 S HN 0.517 8.825 8.310 -0.004 0.000 0.516 85 A N 3.391 126.180 122.820 -0.053 0.000 2.425 85 A HA 0.342 4.771 4.320 -0.088 -0.162 0.249 85 A C -0.217 177.328 177.584 -0.063 0.000 1.084 85 A CA -0.209 51.790 52.037 -0.064 0.000 0.781 85 A CB 0.964 19.942 19.000 -0.036 0.000 1.019 85 A HN -0.080 8.041 8.150 -0.048 0.000 0.490 86 S N 0.862 116.507 115.700 -0.093 0.000 2.492 86 S HA 0.114 4.552 4.470 -0.053 0.000 0.218 86 S C 0.110 174.684 174.600 -0.044 0.000 1.016 86 S CA 0.626 58.782 58.200 -0.073 0.000 0.916 86 S CB 0.802 63.942 63.200 -0.100 0.000 0.791 86 S HN 0.343 8.574 8.310 -0.132 0.000 0.513 87 K N -1.063 119.309 120.400 -0.046 0.000 2.587 87 K HA 0.346 4.694 4.320 0.046 0.000 0.276 87 K C -2.735 173.904 176.600 0.065 0.000 0.956 87 K CA -0.414 55.884 56.287 0.020 0.000 0.857 87 K CB 2.355 34.869 32.500 0.023 0.000 1.431 87 K HN -0.739 7.463 8.250 -0.080 0.000 0.420 88 S N 0.210 115.996 115.700 0.144 0.000 2.541 88 S HA 0.918 5.682 4.470 0.209 -0.168 0.280 88 S C -0.733 173.986 174.600 0.199 0.000 1.112 88 S CA -0.784 57.540 58.200 0.208 0.000 0.925 88 S CB 2.753 66.125 63.200 0.287 0.000 1.067 88 S HN 0.038 8.434 8.310 0.144 0.000 0.479 89 I N 3.399 124.108 120.570 0.232 0.000 2.448 89 I HA 0.305 4.572 4.170 0.163 0.000 0.281 89 I C -1.254 175.025 176.117 0.271 0.000 1.027 89 I CA -0.512 60.923 61.300 0.225 0.000 1.111 89 I CB 2.845 40.988 38.000 0.238 0.000 1.236 89 I HN 0.699 9.068 8.210 0.265 0.000 0.452 90 V N 6.997 126.998 119.914 0.145 0.000 2.649 90 V HA -0.129 4.043 4.120 0.086 0.000 0.292 90 V C 0.005 176.160 176.094 0.102 0.000 1.055 90 V CA -0.710 61.638 62.300 0.080 0.000 1.023 90 V CB 0.493 32.285 31.823 -0.052 0.000 0.992 90 V HN 0.301 8.534 8.190 0.072 0.000 0.480 91 H N 8.375 127.348 119.070 -0.161 0.000 3.064 91 H HA -0.093 3.962 4.556 -0.835 0.000 0.329 91 H C 0.092 175.298 175.328 -0.203 0.000 1.020 91 H CA 0.746 56.489 56.048 -0.509 0.000 1.402 91 H CB 1.611 30.953 29.762 -0.701 0.000 1.379 91 H HN -0.198 8.071 8.280 -0.018 0.000 0.594 92 P HA -0.044 4.331 4.420 -0.076 0.000 0.225 92 P C -0.635 176.668 177.300 0.005 0.000 1.148 92 P CA 1.598 64.591 63.100 -0.178 0.000 0.779 92 P CB 0.316 31.888 31.700 -0.213 0.000 0.780 93 S N -2.523 113.313 115.700 0.227 0.000 2.602 93 S HA 0.132 4.661 4.470 0.097 0.000 0.240 93 S C -0.901 173.803 174.600 0.172 0.000 0.992 93 S CA -0.396 57.923 58.200 0.198 0.000 0.971 93 S CB -0.099 63.215 63.200 0.189 0.000 0.855 93 S HN -0.505 8.070 8.310 0.522 0.048 0.481 94 Y N 4.215 124.553 120.300 0.063 0.000 2.717 94 Y HA -0.231 4.486 4.550 -0.047 -0.195 0.330 94 Y C -0.337 175.550 175.900 -0.022 0.000 1.217 94 Y CA 0.753 58.845 58.100 -0.013 0.000 1.506 94 Y CB 0.439 38.892 38.460 -0.012 0.000 1.268 94 Y HN -0.793 7.620 8.280 0.324 0.061 0.561 95 N N 8.170 126.516 118.700 -0.590 0.000 2.479 95 N HA 0.188 4.597 4.740 -0.551 0.000 0.261 95 N C -0.114 174.851 175.510 -0.908 0.000 0.979 95 N CA -1.200 51.480 53.050 -0.617 0.000 0.930 95 N CB 1.808 40.120 38.487 -0.291 0.000 1.172 95 N HN -0.289 7.862 8.380 -0.382 0.000 0.499 96 S N 5.987 121.106 115.700 -0.968 0.000 2.481 96 S HA -0.019 4.051 4.470 -0.666 0.000 0.231 96 S C 1.106 175.516 174.600 -0.318 0.000 0.996 96 S CA 1.592 59.425 58.200 -0.613 0.000 0.942 96 S CB -0.314 62.721 63.200 -0.275 0.000 0.768 96 S HN 0.672 8.490 8.310 -0.819 0.000 0.520 97 N N 2.231 120.751 118.700 -0.300 0.000 2.135 97 N HA -0.050 4.565 4.740 -0.208 0.000 0.186 97 N C 1.707 177.043 175.510 -0.291 0.000 1.027 97 N CA 2.188 55.096 53.050 -0.237 0.000 0.849 97 N CB 0.020 38.396 38.487 -0.185 0.000 1.002 97 N HN 0.111 8.471 8.380 -0.325 -0.174 0.425 98 T N -3.713 110.659 114.554 -0.303 0.000 3.044 98 T HA 0.022 4.144 4.350 -0.379 0.000 0.250 98 T C 0.577 175.030 174.700 -0.412 0.000 1.081 98 T CA -0.073 61.826 62.100 -0.335 0.000 1.040 98 T CB 1.663 70.401 68.868 -0.216 0.000 0.962 98 T HN -0.592 7.705 8.240 -0.293 -0.233 0.506 99 L N -3.410 117.614 121.223 -0.331 0.000 4.429 99 L HA -0.506 3.906 4.340 0.000 -0.071 0.422 99 L C -1.724 175.146 176.870 -0.000 0.000 1.149 99 L CA 0.699 55.448 54.840 -0.151 0.000 0.972 99 L CB -2.843 39.030 42.059 -0.311 0.000 2.059 99 L HN -0.288 7.687 8.230 -0.335 0.055 0.870 100 N N -0.740 117.929 118.700 -0.052 0.000 2.483 100 N HA -0.215 4.566 4.740 0.068 0.000 0.264 100 N C 0.009 175.565 175.510 0.077 0.000 1.197 100 N CA 1.026 54.091 53.050 0.025 0.000 0.927 100 N CB 0.816 39.294 38.487 -0.015 0.000 1.065 100 N HN -0.730 7.501 8.380 -0.132 0.070 0.461 101 N N -1.027 117.714 118.700 0.068 0.000 2.756 101 N HA -0.477 4.175 4.740 -0.147 0.000 0.248 101 N C -1.298 174.166 175.510 -0.076 0.000 1.062 101 N CA 1.301 54.289 53.050 -0.103 0.000 0.696 101 N CB -1.598 36.736 38.487 -0.255 0.000 0.946 101 N HN 0.654 9.095 8.380 0.102 0.000 0.548 102 D N -0.800 119.607 120.400 0.011 0.000 2.551 102 D HA 0.041 4.621 4.640 -0.101 0.000 0.223 102 D C -1.753 174.432 176.300 -0.191 0.000 1.144 102 D CA -0.289 53.701 54.000 -0.017 0.000 1.025 102 D CB -0.747 40.165 40.800 0.187 0.000 1.085 102 D HN -0.210 8.186 8.370 0.044 0.000 0.506 103 I N 2.404 122.786 120.570 -0.314 0.000 2.752 103 I HA 0.637 4.905 4.170 -0.148 -0.187 0.295 103 I C -2.995 173.064 176.117 -0.097 0.000 1.219 103 I CA -1.346 59.814 61.300 -0.234 0.000 1.030 103 I CB 3.724 41.465 38.000 -0.432 0.000 1.259 103 I HN -0.432 7.526 8.210 -0.350 0.042 0.423 104 M N 4.183 123.825 119.600 0.071 0.000 2.569 104 M HA 0.768 5.580 4.480 0.361 -0.115 0.279 104 M C -2.708 173.756 176.300 0.274 0.000 1.253 104 M CA -1.122 54.311 55.300 0.221 0.000 0.867 104 M CB 4.665 37.337 32.600 0.120 0.000 1.727 104 M HN 0.356 8.679 8.290 0.056 0.000 0.467 105 L N -0.336 121.077 121.223 0.317 0.000 2.334 105 L HA 0.842 5.514 4.340 0.267 -0.171 0.276 105 L C -1.226 175.854 176.870 0.350 0.000 1.014 105 L CA -1.434 53.582 54.840 0.293 0.000 0.815 105 L CB 3.351 45.491 42.059 0.134 0.000 1.268 105 L HN 0.204 8.655 8.230 0.370 0.000 0.428 106 I N 1.072 121.843 120.570 0.337 0.000 2.447 106 I HA 0.438 4.848 4.170 0.160 -0.144 0.287 106 I C -1.732 174.381 176.117 -0.006 0.000 1.023 106 I CA -1.206 60.196 61.300 0.169 0.000 1.083 106 I CB 2.951 41.011 38.000 0.100 0.000 1.245 106 I HN 0.668 9.095 8.210 0.362 0.000 0.434 107 K N 6.851 127.062 120.400 -0.314 0.000 2.156 107 K HA 0.612 4.431 4.320 -1.121 -0.172 0.271 107 K C -0.981 175.359 176.600 -0.433 0.000 0.995 107 K CA -1.841 53.948 56.287 -0.830 0.000 0.890 107 K CB 2.894 34.682 32.500 -1.187 0.000 1.073 107 K HN 0.319 8.458 8.250 -0.185 0.000 0.454 108 L N 5.655 126.638 121.223 -0.400 0.000 2.371 108 L HA -0.033 4.209 4.340 -0.162 0.000 0.272 108 L C 0.293 177.042 176.870 -0.202 0.000 1.124 108 L CA 0.334 55.043 54.840 -0.219 0.000 0.816 108 L CB 0.217 42.183 42.059 -0.156 0.000 1.129 108 L HN 0.308 8.231 8.230 -0.512 0.000 0.448 109 K N 1.826 122.150 120.400 -0.127 0.000 2.283 109 K HA -0.265 3.987 4.320 -0.113 0.000 0.202 109 K C -0.294 176.255 176.600 -0.084 0.000 1.048 109 K CA 2.101 58.328 56.287 -0.100 0.000 0.948 109 K CB 0.469 32.931 32.500 -0.063 0.000 0.742 109 K HN 0.394 8.581 8.250 -0.105 0.000 0.458 110 S N -4.507 111.148 115.700 -0.076 0.000 2.564 110 S HA 0.101 4.537 4.470 -0.058 0.000 0.274 110 S C -1.868 172.697 174.600 -0.057 0.000 1.124 110 S CA -1.335 56.831 58.200 -0.056 0.000 0.869 110 S CB 2.532 65.712 63.200 -0.035 0.000 1.105 110 S HN -0.714 7.516 8.310 -0.078 0.033 0.472 111 A N 1.851 124.645 122.820 -0.044 0.000 2.477 111 A HA -0.095 4.345 4.320 -0.044 -0.146 0.246 111 A C -0.016 177.560 177.584 -0.013 0.000 1.078 111 A CA 0.181 52.200 52.037 -0.030 0.000 0.770 111 A CB 0.529 19.521 19.000 -0.013 0.000 1.011 111 A HN 0.250 8.377 8.150 -0.038 0.000 0.494 112 A N 3.739 126.557 122.820 -0.002 0.000 2.425 112 A HA -0.025 4.403 4.320 0.009 -0.102 0.242 112 A C -0.041 177.552 177.584 0.015 0.000 1.077 112 A CA -0.296 51.749 52.037 0.012 0.000 0.781 112 A CB 1.063 20.080 19.000 0.028 0.000 1.020 112 A HN 0.046 8.193 8.150 -0.004 0.000 0.494 113 S N 1.430 117.138 115.700 0.013 0.000 2.439 113 S HA 0.103 4.581 4.470 0.013 0.000 0.282 113 S C -0.882 173.731 174.600 0.022 0.000 1.170 113 S CA 0.125 58.333 58.200 0.013 0.000 1.054 113 S CB -0.095 63.108 63.200 0.005 0.000 0.956 113 S HN -0.078 8.563 8.310 0.011 -0.324 0.490 114 L N 7.296 128.535 121.223 0.027 0.000 2.289 114 L HA 0.375 4.885 4.340 0.040 -0.147 0.285 114 L C -0.361 176.526 176.870 0.029 0.000 1.049 114 L CA -0.400 54.461 54.840 0.035 0.000 0.804 114 L CB 0.778 42.862 42.059 0.042 0.000 1.195 114 L HN 0.329 8.573 8.230 0.024 0.000 0.428 115 N N 2.289 121.007 118.700 0.030 0.000 3.517 115 N HA 0.107 4.861 4.740 0.023 0.000 0.329 115 N C -1.040 174.488 175.510 0.030 0.000 1.569 115 N CA -0.489 52.577 53.050 0.025 0.000 0.852 115 N CB 1.455 39.953 38.487 0.018 0.000 1.955 115 N HN 0.148 8.549 8.380 0.036 0.000 0.555 116 S N -2.357 113.358 115.700 0.025 0.000 2.436 116 S HA 0.019 4.510 4.470 0.035 0.000 0.228 116 S C 0.499 175.117 174.600 0.030 0.000 1.014 116 S CA 1.782 60.000 58.200 0.029 0.000 0.950 116 S CB 0.137 63.351 63.200 0.024 0.000 0.784 116 S HN 0.170 8.492 8.310 0.021 0.000 0.504 117 R N -0.138 120.377 120.500 0.025 0.000 2.240 117 R HA -0.003 4.349 4.340 0.019 0.000 0.203 117 R C -1.344 174.974 176.300 0.031 0.000 1.011 117 R CA 0.455 56.569 56.100 0.023 0.000 1.007 117 R CB 0.888 31.200 30.300 0.019 0.000 0.911 117 R HN -0.524 8.008 8.270 0.022 -0.249 0.468 118 V N -2.761 117.176 119.914 0.039 0.000 2.525 118 V HA 0.375 4.714 4.120 0.056 -0.186 0.299 118 V C -2.144 173.990 176.094 0.067 0.000 1.034 118 V CA -1.262 61.069 62.300 0.053 0.000 0.863 118 V CB 2.777 34.630 31.823 0.050 0.000 0.999 118 V HN -0.609 7.602 8.190 0.036 0.000 0.423 119 A N 5.868 128.745 122.820 0.095 0.000 2.594 119 A HA 0.458 4.831 4.320 0.089 0.000 0.295 119 A C -3.201 174.476 177.584 0.154 0.000 1.071 119 A CA -1.205 50.899 52.037 0.111 0.000 0.685 119 A CB 2.752 21.820 19.000 0.113 0.000 1.285 119 A HN -0.211 8.002 8.150 0.104 0.000 0.405 120 S N -0.768 115.004 115.700 0.121 0.000 2.632 120 S HA 0.473 5.197 4.470 0.151 -0.164 0.271 120 S C -0.324 174.325 174.600 0.083 0.000 1.260 120 S CA -0.851 57.420 58.200 0.119 0.000 1.010 120 S CB 1.121 64.371 63.200 0.083 0.000 0.965 120 S HN -0.140 8.228 8.310 0.097 0.000 0.534 121 I N 1.591 122.167 120.570 0.009 0.000 2.412 121 I HA 0.234 4.310 4.170 -0.157 0.000 0.296 121 I C -0.948 175.113 176.117 -0.094 0.000 0.987 121 I CA -1.692 59.508 61.300 -0.166 0.000 1.180 121 I CB 3.638 41.311 38.000 -0.545 0.000 1.340 121 I HN 0.280 8.518 8.210 0.046 0.000 0.455 122 S N 8.026 123.673 115.700 -0.088 0.000 2.585 122 S HA 0.117 4.569 4.470 -0.029 0.000 0.273 122 S C -0.252 174.318 174.600 -0.049 0.000 1.339 122 S CA -0.418 57.752 58.200 -0.050 0.000 1.028 122 S CB 0.872 64.048 63.200 -0.040 0.000 0.906 122 S HN 0.448 8.696 8.310 -0.103 0.000 0.528 123 L N 4.027 125.237 121.223 -0.021 0.000 2.436 123 L HA 0.201 4.543 4.340 0.002 0.000 0.265 123 L C -1.120 175.747 176.870 -0.006 0.000 1.168 123 L CA -2.106 52.732 54.840 -0.003 0.000 0.815 123 L CB 0.093 42.158 42.059 0.010 0.000 1.109 123 L HN 0.162 8.382 8.230 -0.017 0.000 0.462 124 P HA 0.106 4.516 4.420 -0.017 0.000 0.279 124 P C -1.153 176.146 177.300 -0.002 0.000 1.252 124 P CA -0.722 62.374 63.100 -0.005 0.000 0.811 124 P CB 0.605 32.304 31.700 -0.002 0.000 1.035 128 c N 1.200 119.772 118.600 -0.046 0.000 2.652 128 c HA 0.183 4.712 4.570 -0.069 0.000 0.412 128 c C 0.011 174.038 174.090 -0.105 0.000 1.294 128 c CA 0.272 56.557 56.329 -0.073 0.000 2.127 128 c CB 0.102 42.572 42.510 -0.067 0.000 2.691 128 c HN 0.101 8.307 8.230 -0.040 0.000 0.615 129 A N 4.784 127.504 122.820 -0.166 0.000 2.332 129 A HA -0.069 4.171 4.320 -0.135 0.000 0.258 129 A C -0.721 176.751 177.584 -0.188 0.000 1.087 129 A CA 0.377 52.303 52.037 -0.185 0.000 0.802 129 A CB 0.987 19.837 19.000 -0.250 0.000 1.042 129 A HN 0.146 8.178 8.150 -0.196 0.000 0.489 133 G N 1.437 110.205 108.800 -0.054 0.000 2.217 133 G HA2 -0.362 3.575 3.960 -0.039 0.000 0.246 133 G HA3 -0.362 3.570 3.960 -0.048 0.000 0.246 133 G C -0.147 174.722 174.900 -0.052 0.000 0.990 133 G CA -0.047 45.024 45.100 -0.048 0.000 0.627 133 G HN 0.530 8.681 8.290 -0.055 0.107 0.522 134 T N 4.425 118.939 114.554 -0.066 0.000 2.916 134 T HA -0.161 4.160 4.350 -0.048 0.000 0.303 134 T C -0.544 174.122 174.700 -0.056 0.000 1.025 134 T CA 1.775 63.838 62.100 -0.062 0.000 1.142 134 T CB 0.457 69.275 68.868 -0.083 0.000 0.947 134 T HN -0.433 7.680 8.240 -0.078 0.081 0.544 135 Q N 5.699 125.479 119.800 -0.034 0.000 2.314 135 Q HA 0.153 4.618 4.340 -0.023 -0.138 0.257 135 Q C -0.607 175.388 176.000 -0.009 0.000 0.975 135 Q CA 0.025 55.819 55.803 -0.015 0.000 0.933 135 Q CB 0.112 28.855 28.738 0.009 0.000 1.195 135 Q HN 0.295 8.548 8.270 -0.028 0.000 0.426 136 c N 3.096 121.690 118.600 -0.010 0.000 2.486 136 c HA 0.579 5.255 4.570 -0.005 -0.108 0.348 136 c C -1.367 172.736 174.090 0.021 0.000 1.203 136 c CA -1.118 55.206 56.329 -0.008 0.000 1.911 136 c CB 3.348 45.837 42.510 -0.034 0.000 2.340 136 c HN 0.478 8.702 8.230 -0.010 0.000 0.511 137 L N 1.388 122.630 121.223 0.032 0.000 2.298 137 L HA 0.752 5.300 4.340 0.067 -0.167 0.284 137 L C -2.042 174.843 176.870 0.025 0.000 1.013 137 L CA -1.214 53.658 54.840 0.054 0.000 0.824 137 L CB 2.486 44.599 42.059 0.089 0.000 1.221 137 L HN 0.453 8.699 8.230 0.027 0.000 0.418 138 I N 7.641 128.208 120.570 -0.004 0.000 2.441 138 I HA 0.793 5.173 4.170 -0.014 -0.219 0.295 138 I C -1.411 174.670 176.117 -0.061 0.000 0.994 138 I CA -1.735 59.550 61.300 -0.026 0.000 1.144 138 I CB 2.157 40.135 38.000 -0.037 0.000 1.314 138 I HN 0.592 8.807 8.210 0.008 0.000 0.445 139 S N 3.015 118.670 115.700 -0.073 0.000 2.579 139 S HA 0.980 5.469 4.470 -0.227 -0.154 0.272 139 S C -1.262 173.220 174.600 -0.197 0.000 1.141 139 S CA -1.513 56.572 58.200 -0.193 0.000 0.843 139 S CB 4.037 67.080 63.200 -0.261 0.000 1.122 139 S HN -0.193 8.100 8.310 -0.028 0.000 0.468 140 G N -0.353 108.240 108.800 -0.344 0.000 2.316 140 G HA2 0.250 4.319 3.960 -0.079 0.000 0.296 140 G HA3 0.250 3.989 3.960 -0.368 0.000 0.296 140 G C -2.063 172.604 174.900 -0.388 0.000 1.399 140 G CA 0.685 45.607 45.100 -0.297 0.000 0.833 140 G HN 0.138 8.174 8.290 -0.424 0.000 0.565 141 W N 0.522 121.783 121.300 -0.065 0.000 3.102 141 W HA 0.360 4.960 4.660 -0.100 0.000 0.401 141 W C -0.028 176.514 176.519 0.038 0.000 1.070 141 W CA -0.851 56.415 57.345 -0.132 0.000 1.921 141 W CB 0.389 29.585 29.460 -0.440 0.000 1.118 141 W HN 0.544 8.864 8.180 0.235 0.000 0.647 142 G N 0.722 109.672 108.800 0.250 0.000 2.621 142 G HA2 -0.073 4.181 3.960 0.208 0.000 0.271 142 G HA3 -0.073 4.197 3.960 0.465 -0.031 0.271 142 G C -1.002 173.856 174.900 -0.071 0.000 1.236 142 G CA -0.701 44.545 45.100 0.244 0.000 0.958 142 G HN -0.402 8.216 8.290 0.173 -0.225 0.512 143 N N -0.931 117.539 118.700 -0.384 0.000 2.356 143 N HA -0.331 3.954 4.740 -1.058 -0.180 0.252 143 N C 0.640 175.988 175.510 -0.269 0.000 1.241 143 N CA 0.958 53.614 53.050 -0.657 0.000 0.861 143 N CB 0.675 38.847 38.487 -0.526 0.000 1.075 143 N HN -0.151 8.100 8.380 -0.214 0.000 0.461 144 T N 0.071 114.486 114.554 -0.231 0.000 3.069 144 T HA 0.214 4.631 4.350 -0.091 -0.121 0.252 144 T C 0.392 175.043 174.700 -0.081 0.000 1.053 144 T CA 0.241 62.273 62.100 -0.114 0.000 0.964 144 T CB 0.894 69.713 68.868 -0.081 0.000 1.005 144 T HN 0.139 8.203 8.240 -0.293 0.000 0.532 145 K N 1.363 121.707 120.400 -0.093 0.000 2.221 145 K HA 0.283 4.580 4.320 -0.038 0.000 0.258 145 K C -1.435 175.145 176.600 -0.033 0.000 0.944 145 K CA -1.160 55.096 56.287 -0.051 0.000 0.823 145 K CB 1.918 34.391 32.500 -0.046 0.000 1.113 145 K HN -0.644 7.736 8.250 -0.135 -0.211 0.431 146 S N 2.486 118.177 115.700 -0.014 0.000 2.383 146 S HA -0.157 4.525 4.470 0.004 -0.209 0.227 146 S C 0.184 174.787 174.600 0.005 0.000 1.026 146 S CA 2.045 60.245 58.200 0.001 0.000 0.981 146 S CB 0.518 63.721 63.200 0.006 0.000 0.818 146 S HN 0.354 8.656 8.310 -0.014 0.000 0.472 147 S N -0.180 115.521 115.700 0.002 0.000 2.640 147 S HA 0.178 4.655 4.470 0.012 0.000 0.320 147 S C -1.005 173.598 174.600 0.005 0.000 1.097 147 S CA -0.562 57.643 58.200 0.007 0.000 1.092 147 S CB 0.365 63.570 63.200 0.008 0.000 0.988 147 S HN -0.324 7.985 8.310 -0.002 0.000 0.470 148 G N 6.455 115.261 108.800 0.011 0.000 2.548 148 G HA2 -0.231 3.737 3.960 0.013 0.000 0.208 148 G HA3 -0.231 3.743 3.960 0.023 0.000 0.208 148 G C -2.129 172.775 174.900 0.007 0.000 1.308 148 G CA -0.260 44.849 45.100 0.015 0.000 0.924 148 G HN 0.229 8.529 8.290 0.015 0.000 0.540 149 T N 0.001 114.564 114.554 0.015 0.000 2.991 149 T HA 0.060 4.555 4.350 -0.048 -0.174 0.303 149 T C -1.482 173.226 174.700 0.013 0.000 1.015 149 T CA -0.393 61.715 62.100 0.012 0.000 1.007 149 T CB 2.757 71.694 68.868 0.114 0.000 1.034 149 T HN -0.093 8.160 8.240 0.022 0.000 0.446 150 S N 6.207 121.855 115.700 -0.086 0.000 2.649 150 S HA 0.340 4.854 4.470 0.074 0.000 0.274 150 S C -2.419 172.092 174.600 -0.149 0.000 1.176 150 S CA 0.223 58.407 58.200 -0.027 0.000 0.988 150 S CB 2.094 65.281 63.200 -0.021 0.000 1.071 150 S HN 0.472 8.973 8.310 -0.210 -0.317 0.478 151 Y N 5.100 125.430 120.300 0.050 0.000 2.330 151 Y HA 0.267 4.860 4.550 0.072 0.000 0.336 151 Y C -1.171 174.765 175.900 0.061 0.000 1.036 151 Y CA -2.785 55.354 58.100 0.065 0.000 1.125 151 Y CB 1.025 39.530 38.460 0.074 0.000 1.194 151 Y HN 0.180 8.646 8.280 0.310 0.000 0.469 152 P HA 0.177 4.660 4.420 0.104 0.000 0.278 152 P C -1.174 176.240 177.300 0.190 0.000 1.258 152 P CA -0.953 62.229 63.100 0.137 0.000 0.811 152 P CB 1.633 33.385 31.700 0.086 0.000 1.063 153 D N -2.174 118.316 120.400 0.150 0.000 2.262 153 D HA -0.129 4.590 4.640 0.131 0.000 0.212 153 D C -0.664 175.793 176.300 0.262 0.000 0.964 153 D CA 1.205 55.297 54.000 0.153 0.000 0.875 153 D CB 0.036 40.891 40.800 0.091 0.000 0.996 153 D HN 0.408 8.849 8.370 0.117 0.000 0.497 154 V N -5.570 114.477 119.914 0.222 0.000 2.837 154 V HA 0.380 4.923 4.120 0.347 -0.215 0.310 154 V C -0.962 175.178 176.094 0.077 0.000 1.059 154 V CA -2.717 59.717 62.300 0.223 0.000 1.004 154 V CB 1.800 33.680 31.823 0.095 0.000 1.045 154 V HN -0.955 7.328 8.190 0.154 0.000 0.465 155 L N 1.765 122.918 121.223 -0.116 0.000 2.455 155 L HA -0.024 3.539 4.340 -1.295 0.000 0.272 155 L C -0.642 175.955 176.870 -0.456 0.000 1.174 155 L CA 0.607 55.019 54.840 -0.713 0.000 0.869 155 L CB 0.723 42.334 42.059 -0.746 0.000 1.130 155 L HN -0.173 8.273 8.230 0.043 -0.190 0.474 156 K N 5.223 125.329 120.400 -0.489 0.000 2.156 156 K HA 0.631 4.876 4.320 -0.369 -0.147 0.250 156 K C -1.110 175.222 176.600 -0.447 0.000 0.955 156 K CA -2.592 53.465 56.287 -0.383 0.000 0.855 156 K CB 2.294 34.644 32.500 -0.250 0.000 1.101 156 K HN -0.292 7.600 8.250 -0.597 0.000 0.434 157 c N -0.674 117.571 118.600 -0.592 0.000 2.707 157 c HA 0.922 5.404 4.570 -0.428 -0.168 0.313 157 c C -1.904 171.880 174.090 -0.511 0.000 1.209 157 c CA -0.654 55.274 56.329 -0.668 0.000 1.635 157 c CB 3.696 45.557 42.510 -1.081 0.000 2.206 157 c HN 0.454 8.293 8.230 -0.653 0.000 0.485 158 L N 0.928 122.055 121.223 -0.160 0.000 2.505 158 L HA 0.456 4.910 4.340 0.190 0.000 0.266 158 L C -2.300 174.673 176.870 0.172 0.000 0.954 158 L CA -0.306 54.587 54.840 0.088 0.000 0.852 158 L CB 4.520 46.625 42.059 0.077 0.000 1.282 158 L HN 0.659 8.802 8.230 -0.144 0.000 0.403 159 K N 6.958 127.519 120.400 0.268 0.000 2.258 159 K HA 0.670 5.299 4.320 0.156 -0.215 0.284 159 K C -0.969 175.772 176.600 0.234 0.000 1.051 159 K CA -1.135 55.274 56.287 0.203 0.000 0.923 159 K CB -0.050 32.555 32.500 0.174 0.000 1.046 159 K HN 0.217 8.669 8.250 0.336 0.000 0.474 160 A N 4.237 127.134 122.820 0.127 0.000 2.488 160 A HA 0.567 4.911 4.320 0.039 0.000 0.298 160 A C -3.363 174.165 177.584 -0.093 0.000 1.044 160 A CA -2.569 49.483 52.037 0.025 0.000 0.693 160 A CB 2.898 21.913 19.000 0.025 0.000 1.272 160 A HN 0.385 8.582 8.150 0.079 0.000 0.402 161 P HA 0.559 5.152 4.420 -0.087 -0.225 0.284 161 P C -0.757 176.483 177.300 -0.100 0.000 1.258 161 P CA -1.450 61.568 63.100 -0.136 0.000 0.824 161 P CB 1.285 32.892 31.700 -0.155 0.000 1.038 162 I N 0.607 121.145 120.570 -0.054 0.000 2.618 162 I HA -0.147 4.208 4.170 0.099 -0.125 0.284 162 I C 0.346 176.460 176.117 -0.004 0.000 1.146 162 I CA 1.080 62.382 61.300 0.003 0.000 1.425 162 I CB -0.094 37.844 38.000 -0.103 0.000 1.383 162 I HN -0.043 8.126 8.210 -0.068 0.000 0.562 163 L N 6.662 127.914 121.223 0.049 0.000 2.399 163 L HA 0.163 4.499 4.340 -0.006 0.000 0.265 163 L C -0.419 176.474 176.870 0.040 0.000 1.089 163 L CA -0.889 53.967 54.840 0.026 0.000 0.802 163 L CB 0.617 42.697 42.059 0.034 0.000 1.180 163 L HN -0.105 8.194 8.230 0.115 0.000 0.454 164 S N 0.090 115.802 115.700 0.021 0.000 2.566 164 S HA -0.048 4.431 4.470 0.016 0.000 0.280 164 S C 0.717 175.344 174.600 0.046 0.000 1.343 164 S CA -0.336 57.878 58.200 0.023 0.000 1.036 164 S CB 0.921 64.129 63.200 0.013 0.000 0.866 164 S HN 0.147 8.463 8.310 0.011 0.000 0.526 165 D N 2.847 123.275 120.400 0.047 0.000 2.149 165 D HA -0.332 4.359 4.640 0.084 0.000 0.198 165 D C 1.978 178.311 176.300 0.055 0.000 0.990 165 D CA 3.887 57.925 54.000 0.063 0.000 0.839 165 D CB -0.638 40.196 40.800 0.056 0.000 0.948 165 D HN 0.421 8.812 8.370 0.035 0.000 0.460 166 S N -1.979 113.744 115.700 0.038 0.000 2.383 166 S HA -0.118 4.374 4.470 0.037 0.000 0.227 166 S C 2.462 177.080 174.600 0.031 0.000 1.026 166 S CA 3.096 61.315 58.200 0.032 0.000 0.981 166 S CB -0.673 62.540 63.200 0.022 0.000 0.818 166 S HN 0.026 8.337 8.310 0.032 0.018 0.472 167 S N 4.041 119.757 115.700 0.027 0.000 2.359 167 S HA -0.260 4.215 4.470 0.009 0.000 0.224 167 S C 1.509 176.127 174.600 0.030 0.000 1.035 167 S CA 4.134 62.346 58.200 0.019 0.000 1.018 167 S CB -0.598 62.610 63.200 0.014 0.000 0.876 167 S HN -0.344 7.982 8.310 0.026 0.000 0.448 168 c N 2.940 121.576 118.600 0.060 0.000 2.413 168 c HA -0.363 4.271 4.570 0.106 0.000 0.276 168 c C 1.945 176.110 174.090 0.125 0.000 1.236 168 c CA 2.727 59.118 56.329 0.103 0.000 1.735 168 c CB -1.856 40.723 42.510 0.116 0.000 2.031 168 c HN -0.097 8.169 8.230 0.061 0.000 0.474 169 K N -1.137 119.322 120.400 0.100 0.000 2.097 169 K HA -0.346 4.061 4.320 0.145 0.000 0.206 169 K C 2.395 179.038 176.600 0.072 0.000 1.049 169 K CA 3.372 59.721 56.287 0.104 0.000 0.933 169 K CB -0.312 32.236 32.500 0.081 0.000 0.717 169 K HN -0.042 8.258 8.250 0.084 0.000 0.442 170 S N -0.429 115.290 115.700 0.033 0.000 2.402 170 S HA -0.124 4.351 4.470 0.009 0.000 0.229 170 S C 1.999 176.568 174.600 -0.051 0.000 1.021 170 S CA 2.680 60.880 58.200 -0.001 0.000 0.974 170 S CB -0.667 62.527 63.200 -0.009 0.000 0.800 170 S HN -0.436 7.798 8.310 0.034 0.096 0.484 171 A N 0.073 122.833 122.820 -0.099 0.000 1.968 171 A HA -0.177 3.971 4.320 -0.286 0.000 0.217 171 A C -0.911 176.365 177.584 -0.514 0.000 1.169 171 A CA 2.402 54.242 52.037 -0.328 0.000 0.638 171 A CB 1.047 19.778 19.000 -0.449 0.000 0.812 171 A HN -0.248 7.770 8.150 -0.049 0.103 0.446 172 Y N -5.422 114.904 120.300 0.044 0.000 2.562 172 Y HA 0.443 5.059 4.550 0.109 0.000 0.363 172 Y C -2.775 173.186 175.900 0.102 0.000 0.991 172 Y CA -3.974 54.189 58.100 0.104 0.000 1.121 172 Y CB -0.368 38.191 38.460 0.165 0.000 1.159 172 Y HN -0.617 7.702 8.280 0.066 0.000 0.651 173 P HA -0.036 4.567 4.420 0.106 -0.119 0.265 173 P C 0.762 178.135 177.300 0.122 0.000 1.193 173 P CA 0.827 63.995 63.100 0.113 0.000 0.765 173 P CB 0.261 31.999 31.700 0.063 0.000 0.823 174 G N 3.285 112.144 108.800 0.100 0.000 2.189 174 G HA2 -0.367 3.630 3.960 0.062 0.000 0.267 174 G HA3 -0.367 3.630 3.960 0.062 0.000 0.267 174 G C 0.057 175.009 174.900 0.087 0.000 0.975 174 G CA 0.830 45.976 45.100 0.076 0.000 0.644 174 G HN 0.552 8.898 8.290 0.094 0.000 0.537 175 Q N -2.155 117.735 119.800 0.150 0.000 2.211 175 Q HA 0.126 4.506 4.340 0.066 0.000 0.242 175 Q C -0.432 175.703 176.000 0.226 0.000 0.825 175 Q CA -0.285 55.613 55.803 0.158 0.000 0.951 175 Q CB 1.842 30.725 28.738 0.242 0.000 1.130 175 Q HN -0.529 7.805 8.270 0.187 0.047 0.496 176 I N 0.711 121.415 120.570 0.222 0.000 2.312 176 I HA 0.005 4.331 4.170 0.260 0.000 0.291 176 I C 0.153 176.354 176.117 0.140 0.000 1.031 176 I CA -1.594 59.829 61.300 0.205 0.000 1.293 176 I CB -1.223 36.883 38.000 0.177 0.000 1.403 176 I HN -0.441 7.891 8.210 0.203 0.000 0.484 177 T N 3.626 118.261 114.554 0.135 0.000 2.897 177 T HA 0.173 4.570 4.350 0.078 0.000 0.278 177 T C 1.021 175.780 174.700 0.098 0.000 0.981 177 T CA -2.005 60.153 62.100 0.095 0.000 0.973 177 T CB 2.390 71.305 68.868 0.077 0.000 1.092 177 T HN -0.422 7.917 8.240 0.165 0.000 0.543 178 S N -0.190 115.552 115.700 0.070 0.000 2.469 178 S HA -0.202 4.307 4.470 0.066 0.000 0.238 178 S C 0.668 175.314 174.600 0.077 0.000 0.998 178 S CA 2.722 60.958 58.200 0.060 0.000 0.957 178 S CB -0.313 62.901 63.200 0.025 0.000 0.764 178 S HN 0.369 8.713 8.310 0.056 0.000 0.514 179 N N -0.582 118.180 118.700 0.103 0.000 2.251 179 N HA 0.163 4.984 4.740 0.135 0.000 0.217 179 N C -1.758 173.885 175.510 0.220 0.000 1.124 179 N CA -0.545 52.600 53.050 0.159 0.000 0.843 179 N CB 0.704 39.300 38.487 0.183 0.000 1.024 179 N HN -0.450 7.911 8.380 0.099 0.078 0.501 180 M N -1.175 118.543 119.600 0.197 0.000 2.501 180 M HA 0.716 5.475 4.480 0.123 -0.205 0.293 180 M C -2.331 174.103 176.300 0.223 0.000 1.192 180 M CA -0.315 55.079 55.300 0.157 0.000 0.886 180 M CB 5.005 37.681 32.600 0.126 0.000 1.710 180 M HN -0.805 7.422 8.290 0.178 0.170 0.457 181 F N -4.815 115.184 119.950 0.081 0.000 2.626 181 F HA 0.631 5.189 4.527 0.051 0.000 0.311 181 F C -2.431 173.415 175.800 0.078 0.000 1.088 181 F CA -2.091 55.951 58.000 0.070 0.000 0.949 181 F CB 2.323 41.365 39.000 0.070 0.000 1.322 181 F HN 0.173 8.346 8.300 -0.211 0.000 0.461 182 c N -0.294 118.434 118.600 0.214 0.000 2.352 182 c HA 1.026 5.816 4.570 0.019 -0.208 0.387 182 c C 1.004 175.279 174.090 0.308 0.000 1.294 182 c CA -0.500 55.914 56.329 0.142 0.000 2.137 182 c CB 2.271 44.841 42.510 0.099 0.000 2.146 182 c HN 0.656 9.054 8.230 0.280 0.000 0.559 183 G N 0.219 108.948 108.800 -0.119 0.000 2.475 183 G HA2 -0.262 3.720 3.960 0.038 0.051 0.223 183 G HA3 -0.262 3.552 3.960 -0.243 0.000 0.223 183 G C -2.517 172.066 174.900 -0.529 0.000 1.201 183 G CA 0.036 45.017 45.100 -0.199 0.000 0.962 183 G HN 0.037 8.204 8.290 -0.204 0.000 0.586 184 Y N 0.275 120.607 120.300 0.054 0.000 2.315 184 Y HA 0.222 4.791 4.550 0.032 0.000 0.324 184 Y C 0.278 176.192 175.900 0.023 0.000 1.062 184 Y CA -1.258 56.862 58.100 0.034 0.000 1.159 184 Y CB 1.430 39.908 38.460 0.030 0.000 1.145 184 Y HN 0.143 8.514 8.280 0.152 0.000 0.442 185 L N 3.255 124.542 121.223 0.107 0.000 2.265 185 L HA -0.331 4.033 4.340 0.041 0.000 0.215 185 L C 1.739 178.649 176.870 0.067 0.000 1.117 185 L CA 2.462 57.338 54.840 0.059 0.000 0.782 185 L CB 0.012 42.086 42.059 0.025 0.000 0.914 185 L HN 0.487 8.765 8.230 0.080 0.000 0.441 186 E N -1.270 118.990 120.200 0.099 0.000 2.008 186 E HA -0.181 4.196 4.350 0.044 0.000 0.191 186 E C 1.224 177.857 176.600 0.056 0.000 0.986 186 E CA 1.983 58.422 56.400 0.065 0.000 0.807 186 E CB 0.047 29.783 29.700 0.060 0.000 0.766 186 E HN 0.073 8.480 8.360 0.139 0.036 0.450 187 G N -1.531 107.279 108.800 0.017 0.000 2.316 187 G HA2 -0.176 3.757 3.960 -0.045 0.000 0.203 187 G HA3 -0.176 3.776 3.960 -0.013 0.000 0.203 187 G C -1.794 173.089 174.900 -0.028 0.000 0.999 187 G CA -0.066 45.023 45.100 -0.019 0.000 0.649 187 G HN -0.189 8.014 8.290 0.028 0.104 0.489 188 K N 0.299 120.701 120.400 0.003 0.000 2.601 188 K HA 0.757 5.329 4.320 0.011 -0.245 0.249 188 K C -1.933 174.766 176.600 0.165 0.000 0.966 188 K CA -0.950 55.353 56.287 0.027 0.000 0.827 188 K CB 3.169 35.574 32.500 -0.158 0.000 1.178 188 K HN -0.354 7.923 8.250 0.046 0.000 0.437 189 D N 3.221 123.698 120.400 0.128 0.000 2.710 189 D HA 0.216 4.974 4.640 0.195 0.000 0.276 189 D C -1.805 174.563 176.300 0.114 0.000 1.267 189 D CA -0.698 53.390 54.000 0.147 0.000 0.772 189 D CB 3.772 44.641 40.800 0.115 0.000 1.299 189 D HN 0.138 8.561 8.370 0.088 0.000 0.421 190 S N -1.241 114.546 115.700 0.145 0.000 2.624 190 S HA 0.239 4.853 4.470 0.095 -0.088 0.263 190 S C -1.552 173.095 174.600 0.078 0.000 1.287 190 S CA -0.148 58.124 58.200 0.120 0.000 0.990 190 S CB 0.843 64.159 63.200 0.194 0.000 0.950 190 S HN 0.204 8.630 8.310 0.193 0.000 0.561 191 C N -0.510 118.835 119.300 0.076 0.000 3.336 191 C HA 0.252 4.750 4.460 0.063 0.000 0.339 191 C C -1.227 173.832 174.990 0.115 0.000 1.468 191 C CA -0.217 58.842 59.018 0.067 0.000 1.287 191 C CB 3.283 31.036 27.740 0.022 0.000 1.682 191 C HN 0.206 8.766 8.230 0.089 -0.277 0.451 192 Q N 1.689 121.566 119.800 0.129 0.000 2.283 192 Q HA -0.196 4.271 4.340 0.212 0.000 0.301 192 Q C 1.417 177.602 176.000 0.309 0.000 1.063 192 Q CA 2.331 58.261 55.803 0.211 0.000 0.952 192 Q CB -0.007 28.864 28.738 0.221 0.000 1.166 192 Q HN 0.666 8.996 8.270 0.099 0.000 0.381 193 G N 4.421 113.426 108.800 0.341 0.000 2.217 193 G HA2 -0.417 3.887 3.960 0.572 0.000 0.246 193 G HA3 -0.417 3.769 3.960 0.376 0.000 0.246 193 G C 0.397 175.546 174.900 0.414 0.000 0.990 193 G CA 0.904 46.263 45.100 0.433 0.000 0.627 193 G HN 0.749 9.219 8.290 0.300 0.000 0.522 194 D N 1.175 121.744 120.400 0.283 0.000 2.333 194 D HA 0.004 4.789 4.640 0.241 0.000 0.208 194 D C 0.121 176.535 176.300 0.191 0.000 0.984 194 D CA 1.327 55.459 54.000 0.220 0.000 0.873 194 D CB 0.343 41.234 40.800 0.152 0.000 0.935 194 D HN -0.084 8.353 8.370 0.251 0.083 0.521 195 S N -0.764 115.055 115.700 0.200 0.000 2.599 195 S HA -0.364 4.363 4.470 0.206 -0.134 0.303 195 S C 1.143 175.773 174.600 0.051 0.000 1.267 195 S CA 2.544 60.849 58.200 0.175 0.000 1.055 195 S CB -0.344 63.022 63.200 0.277 0.000 0.790 195 S HN -0.252 8.149 8.310 0.227 0.045 0.500 196 G N 4.718 113.533 108.800 0.024 0.000 2.225 196 G HA2 -0.442 3.592 3.960 -0.057 0.000 0.254 196 G HA3 -0.442 3.572 3.960 -0.024 -0.068 0.254 196 G C -0.287 174.651 174.900 0.064 0.000 0.988 196 G CA 0.391 45.486 45.100 -0.008 0.000 0.625 196 G HN 0.493 8.825 8.290 0.070 0.000 0.527 197 G N 0.732 109.594 108.800 0.104 0.000 2.588 197 G HA2 0.387 4.417 3.960 0.117 0.000 0.281 197 G HA3 0.387 4.486 3.960 0.121 -0.066 0.281 197 G C -2.668 172.312 174.900 0.134 0.000 1.236 197 G CA -2.098 43.074 45.100 0.121 0.000 0.969 197 G HN -0.413 7.859 8.290 0.114 0.086 0.504 198 P HA 0.232 4.849 4.420 0.139 -0.114 0.282 198 P C -1.560 175.800 177.300 0.099 0.000 1.249 198 P CA -0.811 62.381 63.100 0.153 0.000 0.806 198 P CB 1.552 33.422 31.700 0.282 0.000 0.984 199 V N 2.233 122.187 119.914 0.066 0.000 2.326 199 V HA 0.274 4.539 4.120 -0.025 -0.160 0.281 199 V C -1.256 174.856 176.094 0.030 0.000 1.015 199 V CA -1.342 60.958 62.300 0.000 0.000 0.823 199 V CB 0.612 32.380 31.823 -0.090 0.000 1.009 199 V HN 0.084 8.327 8.190 0.088 0.000 0.436 200 V N 7.808 127.735 119.914 0.022 0.000 2.417 200 V HA 0.586 4.878 4.120 -0.041 -0.197 0.291 200 V C -1.287 174.799 176.094 -0.014 0.000 1.024 200 V CA -1.845 60.445 62.300 -0.016 0.000 0.861 200 V CB 1.835 33.639 31.823 -0.031 0.000 0.985 200 V HN 0.393 8.604 8.190 0.035 0.000 0.436 201 c N 6.155 124.733 118.600 -0.037 0.000 2.482 201 c HA 0.467 5.019 4.570 -0.029 0.000 0.317 201 c C 0.728 174.792 174.090 -0.044 0.000 1.197 201 c CA -1.622 54.681 56.329 -0.043 0.000 1.432 201 c CB 2.176 44.641 42.510 -0.074 0.000 2.062 201 c HN 0.324 8.526 8.230 -0.047 0.000 0.471 202 S N 5.803 121.484 115.700 -0.032 0.000 3.486 202 S HA -0.342 4.116 4.470 -0.019 0.000 0.371 202 S C 0.575 175.157 174.600 -0.031 0.000 1.001 202 S CA 0.795 58.979 58.200 -0.028 0.000 1.164 202 S CB -1.343 61.837 63.200 -0.033 0.000 0.911 202 S HN 1.146 9.440 8.310 -0.025 0.000 0.472 203 G N -2.949 105.832 108.800 -0.033 0.000 2.148 203 G HA2 -0.335 3.605 3.960 -0.033 0.000 0.254 203 G HA3 -0.335 3.599 3.960 -0.044 0.000 0.254 203 G C -1.210 173.639 174.900 -0.085 0.000 0.981 203 G CA 0.388 45.460 45.100 -0.047 0.000 0.670 203 G HN 0.364 8.616 8.290 -0.025 0.022 0.528 210 Q N 1.004 120.834 119.800 0.050 0.000 2.378 210 Q HA 0.268 4.656 4.340 0.079 0.000 0.229 210 Q C -0.360 175.812 176.000 0.287 0.000 0.882 210 Q CA 0.177 56.035 55.803 0.093 0.000 0.936 210 Q CB 2.924 31.645 28.738 -0.029 0.000 1.092 210 Q HN 0.361 8.654 8.270 0.037 0.000 0.535 211 G N -2.706 106.270 108.800 0.293 0.000 2.672 211 G HA2 0.629 4.826 3.960 0.394 0.000 0.292 211 G HA3 0.629 5.087 3.960 0.413 -0.250 0.292 211 G C -3.186 171.831 174.900 0.195 0.000 1.375 211 G CA -0.714 44.593 45.100 0.344 0.000 0.890 211 G HN -0.371 8.035 8.290 0.193 0.000 0.476 212 I N -0.627 120.056 120.570 0.189 0.000 2.498 212 I HA 0.617 5.083 4.170 0.162 -0.199 0.290 212 I C -0.253 176.011 176.117 0.245 0.000 1.032 212 I CA -1.611 59.791 61.300 0.170 0.000 1.073 212 I CB 3.968 42.032 38.000 0.106 0.000 1.251 212 I HN -0.370 7.950 8.210 0.183 0.000 0.426 213 V N 6.450 126.527 119.914 0.271 0.000 2.458 213 V HA -0.233 4.082 4.120 0.325 0.000 0.287 213 V C -0.940 175.236 176.094 0.137 0.000 1.009 213 V CA 1.600 64.051 62.300 0.251 0.000 1.091 213 V CB -1.617 30.348 31.823 0.237 0.000 0.960 213 V HN 0.152 8.477 8.190 0.225 0.000 0.476 214 S N 9.160 124.846 115.700 -0.023 0.000 3.249 214 S HA 0.338 5.034 4.470 0.376 0.000 0.237 214 S C -1.398 173.301 174.600 0.164 0.000 1.007 214 S CA 0.063 58.362 58.200 0.166 0.000 0.811 214 S CB 2.741 66.029 63.200 0.146 0.000 0.832 214 S HN 0.037 8.170 8.310 -0.295 0.000 0.573 215 W N -2.061 119.067 121.300 -0.287 0.000 2.826 215 W HA 0.302 4.823 4.660 -0.232 0.000 0.410 215 W C -2.702 173.620 176.519 -0.328 0.000 1.128 215 W CA -0.794 56.381 57.345 -0.283 0.000 1.176 215 W CB 0.948 30.237 29.460 -0.285 0.000 1.475 215 W HN -0.074 7.829 8.180 -0.462 0.000 0.588 216 G N -1.006 107.772 108.800 -0.038 0.000 2.393 216 G HA2 -0.021 3.817 3.960 -0.203 0.000 0.264 216 G HA3 -0.021 3.498 3.960 -0.735 0.000 0.264 216 G C -2.016 172.999 174.900 0.192 0.000 1.221 216 G CA 0.084 45.056 45.100 -0.213 0.000 0.912 216 G HN -0.032 8.426 8.290 0.281 0.000 0.483 220 A N 2.227 125.080 122.820 0.056 0.000 2.474 220 A HA -0.370 3.996 4.320 0.076 0.000 0.349 220 A C -0.148 177.463 177.584 0.044 0.000 1.515 220 A CA 1.110 53.180 52.037 0.056 0.000 1.223 220 A CB -0.790 18.233 19.000 0.038 0.000 0.828 220 A HN -0.087 8.439 8.150 0.065 -0.337 0.391 221 Q N -2.766 117.060 119.800 0.044 0.000 2.260 221 Q HA -0.006 4.350 4.340 0.026 0.000 0.238 221 Q C 0.137 176.152 176.000 0.026 0.000 0.948 221 Q CA -1.582 54.239 55.803 0.031 0.000 0.895 221 Q CB 1.571 30.326 28.738 0.029 0.000 1.218 221 Q HN -0.156 8.144 8.270 0.050 0.000 0.470 222 K N 2.508 122.917 120.400 0.015 0.000 2.489 222 K HA -0.453 4.016 4.320 0.019 -0.138 0.278 222 K C 0.184 176.773 176.600 -0.017 0.000 1.000 222 K CA 1.225 57.517 56.287 0.008 0.000 1.012 222 K CB -0.089 32.413 32.500 0.003 0.000 0.903 222 K HN 0.299 8.557 8.250 0.014 0.000 0.485 223 N N 2.063 120.747 118.700 -0.026 0.000 2.753 223 N HA -0.483 4.217 4.740 -0.066 0.000 0.251 223 N C -1.752 173.660 175.510 -0.163 0.000 1.097 223 N CA 1.794 54.797 53.050 -0.077 0.000 0.786 223 N CB -0.431 38.008 38.487 -0.081 0.000 1.137 223 N HN 0.638 8.907 8.380 -0.005 0.107 0.566 224 K N -3.165 117.174 120.400 -0.101 0.000 2.920 224 K HA 0.544 4.656 4.320 -0.347 0.000 0.175 224 K C -2.607 174.030 176.600 0.061 0.000 1.099 224 K CA -3.374 52.849 56.287 -0.106 0.000 0.939 224 K CB 0.213 32.702 32.500 -0.019 0.000 1.148 224 K HN -0.817 7.359 8.250 -0.040 0.051 0.613 225 P HA -0.025 4.449 4.420 0.091 0.000 0.274 225 P C -0.341 176.991 177.300 0.054 0.000 1.256 225 P CA -0.860 62.295 63.100 0.092 0.000 0.795 225 P CB 0.892 32.637 31.700 0.076 0.000 1.038 226 G N -2.703 106.096 108.800 -0.002 0.000 2.491 226 G HA2 0.038 3.849 3.960 -0.247 0.000 0.242 226 G HA3 0.038 3.773 3.960 -0.375 0.000 0.242 226 G C -1.164 173.367 174.900 -0.615 0.000 1.266 226 G CA -0.318 44.602 45.100 -0.300 0.000 0.844 226 G HN -0.194 8.199 8.290 0.088 -0.050 0.571 227 V N 2.073 121.292 119.914 -1.157 0.000 2.459 227 V HA 0.506 4.268 4.120 -0.869 -0.163 0.295 227 V C -1.035 174.267 176.094 -1.319 0.000 1.029 227 V CA -2.188 59.370 62.300 -1.237 0.000 0.874 227 V CB 1.684 32.380 31.823 -1.879 0.000 0.985 227 V HN 0.308 7.812 8.190 -1.143 0.000 0.438 228 Y N 4.601 124.510 120.300 -0.651 0.000 2.425 228 Y HA 0.499 4.987 4.550 -0.372 -0.161 0.344 228 Y C 0.165 175.798 175.900 -0.444 0.000 0.969 228 Y CA -2.121 55.607 58.100 -0.620 0.000 1.052 228 Y CB 3.615 41.435 38.460 -1.067 0.000 1.215 228 Y HN 0.782 8.634 8.280 -0.714 0.000 0.451 229 T N 5.814 120.355 114.554 -0.021 0.000 2.888 229 T HA -0.087 4.471 4.350 0.122 -0.135 0.301 229 T C -0.516 174.334 174.700 0.249 0.000 1.001 229 T CA 1.789 63.951 62.100 0.104 0.000 1.147 229 T CB 0.423 69.328 68.868 0.063 0.000 0.931 229 T HN 0.273 8.524 8.240 0.018 0.000 0.541 230 K N 7.971 128.602 120.400 0.386 0.000 2.183 230 K HA 0.125 4.850 4.320 0.675 0.000 0.272 230 K C 0.803 177.669 176.600 0.444 0.000 1.113 230 K CA -0.709 55.877 56.287 0.498 0.000 0.949 230 K CB -0.261 32.486 32.500 0.412 0.000 1.365 230 K HN -0.046 8.332 8.250 0.363 0.090 0.420 231 V N 5.968 126.118 119.914 0.394 0.000 2.469 231 V HA -0.513 3.903 4.120 0.493 0.000 0.251 231 V C 1.342 177.611 176.094 0.292 0.000 1.064 231 V CA 3.833 66.355 62.300 0.369 0.000 1.066 231 V CB -0.315 31.652 31.823 0.241 0.000 0.667 231 V HN 0.224 8.653 8.190 0.398 0.000 0.461 232 c N -3.669 115.031 118.600 0.166 0.000 2.419 232 c HA -0.211 4.407 4.570 0.079 0.000 0.283 232 c C 1.710 175.814 174.090 0.023 0.000 1.373 232 c CA 1.573 57.948 56.329 0.076 0.000 1.781 232 c CB -2.044 40.480 42.510 0.023 0.000 1.886 232 c HN 0.446 8.721 8.230 0.165 0.054 0.520 233 N N 1.049 119.716 118.700 -0.056 0.000 2.494 233 N HA -0.128 4.491 4.740 -0.202 0.000 0.182 233 N C 0.469 175.706 175.510 -0.454 0.000 1.076 233 N CA 1.518 54.377 53.050 -0.318 0.000 0.908 233 N CB -0.282 37.893 38.487 -0.521 0.000 0.967 233 N HN -0.393 7.958 8.380 0.015 0.037 0.449 234 Y N -4.850 115.527 120.300 0.129 0.000 2.481 234 Y HA 0.132 4.834 4.550 0.254 0.000 0.247 234 Y C 0.246 176.296 175.900 0.251 0.000 1.151 234 Y CA -0.312 57.928 58.100 0.232 0.000 1.238 234 Y CB 0.588 39.210 38.460 0.271 0.000 1.179 234 Y HN -0.398 7.764 8.280 0.115 0.187 0.524 235 V N 0.903 120.950 119.914 0.221 0.000 2.343 235 V HA -0.566 3.644 4.120 0.151 0.000 0.247 235 V C 1.771 177.933 176.094 0.113 0.000 1.051 235 V CA 4.764 67.150 62.300 0.142 0.000 1.036 235 V CB -0.807 31.062 31.823 0.077 0.000 0.654 235 V HN -0.712 7.571 8.190 0.155 0.000 0.451 236 S N -0.064 115.708 115.700 0.121 0.000 2.368 236 S HA -0.238 4.259 4.470 0.046 0.000 0.225 236 S C 1.803 176.480 174.600 0.130 0.000 1.030 236 S CA 3.874 62.130 58.200 0.094 0.000 0.999 236 S CB -0.503 62.749 63.200 0.087 0.000 0.844 236 S HN 0.225 8.606 8.310 0.119 0.000 0.459 237 W N 2.844 124.181 121.300 0.060 0.000 2.358 237 W HA -0.348 4.325 4.660 0.021 0.000 0.303 237 W C 1.279 177.798 176.519 0.001 0.000 1.208 237 W CA 3.501 60.882 57.345 0.060 0.000 1.274 237 W CB -0.317 29.255 29.460 0.186 0.000 1.138 237 W HN -0.412 8.018 8.180 0.417 0.000 0.515 238 I N -1.001 119.513 120.570 -0.094 0.000 2.127 238 I HA -0.760 2.914 4.170 -0.828 0.000 0.241 238 I C 1.940 177.796 176.117 -0.435 0.000 1.075 238 I CA 4.495 65.543 61.300 -0.421 0.000 1.334 238 I CB -0.268 37.656 38.000 -0.127 0.000 1.040 238 I HN 0.112 8.465 8.210 0.239 0.000 0.405 239 K N -1.065 119.199 120.400 -0.226 0.000 2.057 239 K HA -0.416 3.763 4.320 -0.236 0.000 0.207 239 K C 2.854 179.311 176.600 -0.238 0.000 1.049 239 K CA 3.665 59.828 56.287 -0.208 0.000 0.931 239 K CB -0.309 32.130 32.500 -0.101 0.000 0.714 239 K HN -0.249 7.925 8.250 -0.127 0.000 0.440 240 Q N -2.371 117.302 119.800 -0.211 0.000 2.084 240 Q HA -0.270 3.987 4.340 -0.137 0.000 0.202 240 Q C 2.136 177.969 176.000 -0.279 0.000 0.978 240 Q CA 3.022 58.714 55.803 -0.184 0.000 0.844 240 Q CB 0.021 28.698 28.738 -0.101 0.000 0.898 240 Q HN -0.164 8.000 8.270 -0.176 0.000 0.426 241 T N 0.580 114.844 114.554 -0.483 0.000 2.708 241 T HA -0.273 3.838 4.350 -0.397 0.000 0.266 241 T C 2.221 176.593 174.700 -0.546 0.000 1.037 241 T CA 4.566 66.325 62.100 -0.570 0.000 1.146 241 T CB 0.005 68.282 68.868 -0.985 0.000 0.865 241 T HN -0.283 7.613 8.240 -0.572 0.000 0.435 242 I N -2.960 117.180 120.570 -0.717 0.000 2.830 242 I HA -0.085 3.546 4.170 -0.899 0.000 0.263 242 I C 0.928 176.884 176.117 -0.268 0.000 1.230 242 I CA 2.385 63.231 61.300 -0.757 0.000 1.480 242 I CB -0.747 36.590 38.000 -1.105 0.000 1.095 242 I HN -0.301 7.476 8.210 -0.721 0.000 0.455 243 A N -0.649 122.045 122.820 -0.210 0.000 2.167 243 A HA -0.059 4.224 4.320 -0.062 0.000 0.214 243 A C 0.064 177.620 177.584 -0.047 0.000 1.151 243 A CA 1.513 53.494 52.037 -0.094 0.000 0.735 243 A CB 0.002 18.947 19.000 -0.092 0.000 0.802 243 A HN -0.326 7.632 8.150 -0.264 0.034 0.467 244 S N -3.059 112.607 115.700 -0.057 0.000 2.819 244 S HA 0.271 4.742 4.470 0.002 0.000 0.249 244 S C -1.465 173.157 174.600 0.037 0.000 1.030 244 S CA -0.136 58.057 58.200 -0.012 0.000 1.052 244 S CB 0.854 64.034 63.200 -0.032 0.000 1.017 244 S HN -0.471 7.597 8.310 -0.107 0.177 0.576 245 N N 0.000 118.762 118.700 0.103 0.000 1.763 245 N HA 0.000 4.829 4.740 0.148 0.000 0.220 245 N CA 0.000 53.180 53.050 0.217 0.000 0.885 245 N CB 0.000 38.660 38.487 0.288 0.000 1.341 245 N HN 0.000 8.437 8.380 0.096 0.000 0.667