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 1c2i_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 61.281 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 5.707 125.614 119.914 -0.012 0.000 2.483 17 V HA 0.257 4.501 4.120 -0.027 -0.140 0.295 17 V C 0.616 176.709 176.094 -0.000 0.000 1.035 17 V CA -1.669 60.624 62.300 -0.012 0.000 0.896 17 V CB 1.115 32.938 31.823 0.000 0.000 0.986 17 V HN 0.739 8.936 8.190 0.012 0.000 0.447 18 G N 6.755 115.550 108.800 -0.008 0.000 2.221 18 G HA2 -0.405 3.550 3.960 -0.007 0.000 0.265 18 G HA3 -0.405 3.693 3.960 -0.018 -0.150 0.265 18 G C -0.767 174.141 174.900 0.014 0.000 1.041 18 G CA 0.582 45.678 45.100 -0.007 0.000 0.807 18 G HN 0.811 9.093 8.290 -0.013 0.000 0.502 19 G N -0.901 107.904 108.800 0.008 0.000 2.971 19 G HA2 0.617 4.636 3.960 0.097 0.000 0.235 19 G HA3 0.617 4.650 3.960 -0.091 -0.127 0.235 19 G C -1.715 173.227 174.900 0.070 0.000 1.351 19 G CA -1.157 43.949 45.100 0.011 0.000 1.039 19 G HN -0.565 7.694 8.290 -0.013 0.024 0.563 20 Y N -5.981 114.299 120.300 -0.034 0.000 2.638 20 Y HA 0.446 4.977 4.550 -0.031 0.000 0.339 20 Y C -2.009 173.863 175.900 -0.047 0.000 1.084 20 Y CA -2.718 55.362 58.100 -0.035 0.000 1.068 20 Y CB 1.392 39.835 38.460 -0.029 0.000 1.294 20 Y HN 0.206 8.128 8.280 -0.596 0.000 0.480 21 T N 2.912 117.526 114.554 0.099 0.000 2.799 21 T HA -0.008 4.420 4.350 -0.100 -0.138 0.296 21 T C 0.304 175.042 174.700 0.064 0.000 0.947 21 T CA 1.807 63.910 62.100 0.004 0.000 1.141 21 T CB -0.096 68.797 68.868 0.042 0.000 0.891 21 T HN 0.191 8.541 8.240 0.183 0.000 0.533 22 c N 6.147 124.684 118.600 -0.106 0.000 2.436 22 c HA -0.092 4.501 4.570 0.039 0.000 0.277 22 c C 0.559 174.674 174.090 0.042 0.000 1.241 22 c CA 1.189 57.489 56.329 -0.048 0.000 1.721 22 c CB -0.360 42.043 42.510 -0.178 0.000 2.043 22 c HN 0.490 8.602 8.230 -0.197 0.000 0.472 23 G N -2.489 106.310 108.800 -0.001 0.000 2.627 23 G HA2 -0.196 3.777 3.960 0.022 0.000 0.680 23 G HA3 -0.196 3.780 3.960 0.026 0.000 0.680 23 G C -2.471 172.424 174.900 -0.008 0.000 1.341 23 G CA -0.825 44.283 45.100 0.014 0.000 0.835 23 G HN -0.510 7.758 8.290 -0.038 0.000 0.643 24 A N 2.940 125.765 122.820 0.007 0.000 2.548 24 A HA -0.198 4.302 4.320 0.017 -0.169 0.247 24 A C -0.111 177.473 177.584 0.001 0.000 1.067 24 A CA 1.005 53.050 52.037 0.013 0.000 0.757 24 A CB 0.131 19.147 19.000 0.026 0.000 0.996 24 A HN 0.283 8.443 8.150 0.016 0.000 0.504 25 N N -2.179 116.518 118.700 -0.005 0.000 2.721 25 N HA -0.384 4.338 4.740 -0.030 0.000 0.249 25 N C 0.127 175.611 175.510 -0.042 0.000 1.072 25 N CA 1.464 54.501 53.050 -0.021 0.000 0.710 25 N CB -1.116 37.371 38.487 0.001 0.000 0.993 25 N HN 0.531 8.915 8.380 0.006 0.000 0.547 26 T N -4.218 110.300 114.554 -0.060 0.000 3.081 26 T HA -0.000 4.335 4.350 -0.024 0.000 0.250 26 T C -0.539 174.100 174.700 -0.103 0.000 1.100 26 T CA 0.942 63.012 62.100 -0.049 0.000 1.038 26 T CB 0.754 69.611 68.868 -0.019 0.000 0.962 26 T HN -0.442 7.741 8.240 -0.069 0.016 0.516 27 V N 2.115 121.901 119.914 -0.212 0.000 2.320 27 V HA 0.361 4.196 4.120 -0.475 0.000 0.257 27 V C -1.853 173.912 176.094 -0.548 0.000 0.996 27 V CA -3.118 58.891 62.300 -0.485 0.000 0.928 27 V CB 0.998 32.517 31.823 -0.507 0.000 1.169 27 V HN -0.416 7.601 8.190 -0.185 0.062 0.475 28 P HA 0.089 4.538 4.420 -0.101 -0.090 0.230 28 P C 0.003 177.256 177.300 -0.080 0.000 1.158 28 P CA 1.451 64.472 63.100 -0.133 0.000 0.769 28 P CB 0.096 31.790 31.700 -0.010 0.000 0.807 29 Y N -6.589 113.736 120.300 0.042 0.000 2.466 29 Y HA 0.514 5.267 4.550 0.058 -0.168 0.272 29 Y C -0.659 175.280 175.900 0.066 0.000 1.169 29 Y CA -3.637 54.495 58.100 0.053 0.000 1.285 29 Y CB -1.219 37.268 38.460 0.045 0.000 1.078 29 Y HN -0.387 7.339 8.280 -0.813 0.066 0.523 30 Q N 2.634 122.324 119.800 -0.183 0.000 2.304 30 Q HA 0.253 4.798 4.340 0.116 -0.136 0.260 30 Q C -0.325 175.764 176.000 0.147 0.000 0.965 30 Q CA -0.132 55.661 55.803 -0.015 0.000 0.898 30 Q CB 1.344 29.956 28.738 -0.212 0.000 1.196 30 Q HN -0.612 7.315 8.270 -0.460 0.067 0.402 31 V N 1.462 121.506 119.914 0.217 0.000 2.960 31 V HA 0.808 5.182 4.120 0.216 -0.124 0.315 31 V C -1.989 174.280 176.094 0.293 0.000 1.087 31 V CA -2.888 59.543 62.300 0.218 0.000 0.982 31 V CB 3.759 35.657 31.823 0.124 0.000 1.039 31 V HN 0.233 8.547 8.190 0.206 0.000 0.437 32 S N 1.563 117.345 115.700 0.136 0.000 2.478 32 S HA 0.459 5.175 4.470 0.231 -0.107 0.312 32 S C -1.119 173.393 174.600 -0.148 0.000 1.094 32 S CA -2.028 56.182 58.200 0.017 0.000 1.081 32 S CB 1.525 64.508 63.200 -0.361 0.000 1.007 32 S HN 0.220 8.576 8.310 0.077 0.000 0.475 33 L N 6.752 127.768 121.223 -0.345 0.000 2.275 33 L HA 0.612 4.904 4.340 -0.309 -0.138 0.288 33 L C -1.448 175.033 176.870 -0.647 0.000 1.046 33 L CA -0.968 53.547 54.840 -0.542 0.000 0.805 33 L CB 0.853 42.377 42.059 -0.892 0.000 1.193 33 L HN 0.899 8.791 8.230 -0.395 0.101 0.426 38 G N -0.151 108.402 108.800 -0.411 0.000 2.218 38 G HA2 -0.237 3.648 3.960 -0.126 0.000 0.216 38 G HA3 -0.237 3.670 3.960 -0.088 0.000 0.216 38 G C -1.749 173.116 174.900 -0.059 0.000 0.994 38 G CA 0.195 45.179 45.100 -0.193 0.000 0.637 38 G HN 0.222 8.614 8.290 -0.335 -0.303 0.505 39 Y N -6.894 113.384 120.300 -0.036 0.000 2.702 39 Y HA 0.220 4.733 4.550 -0.061 0.000 0.336 39 Y C -2.483 173.430 175.900 0.021 0.000 1.203 39 Y CA -3.393 54.689 58.100 -0.029 0.000 1.072 39 Y CB 0.797 39.239 38.460 -0.029 0.000 1.327 39 Y HN -1.253 6.519 8.280 -0.840 0.005 0.456 40 H N 2.460 121.537 119.070 0.011 0.000 2.767 40 H HA 0.095 4.704 4.556 -0.241 -0.197 0.316 40 H C -0.336 175.073 175.328 0.135 0.000 1.059 40 H CA -0.359 55.631 56.048 -0.097 0.000 1.461 40 H CB 0.376 30.012 29.762 -0.208 0.000 1.475 40 H HN 0.265 8.670 8.280 0.209 0.000 0.531 41 F N 2.332 121.942 119.950 -0.568 0.000 2.834 41 F HA 0.313 4.770 4.527 -0.117 0.000 0.332 41 F C -1.583 173.986 175.800 -0.385 0.000 1.056 41 F CA -0.718 57.103 58.000 -0.297 0.000 1.178 41 F CB 1.587 40.545 39.000 -0.070 0.000 1.037 41 F HN 0.215 7.899 8.300 -1.026 0.000 0.580 42 c N -1.573 116.328 118.600 -1.164 0.000 3.321 42 c HA 0.308 4.738 4.570 -0.234 0.000 0.329 42 c C -1.720 172.158 174.090 -0.354 0.000 1.394 42 c CA -0.153 55.835 56.329 -0.569 0.000 1.291 42 c CB 4.119 46.355 42.510 -0.457 0.000 1.606 42 c HN -0.814 6.439 8.230 -1.629 0.000 0.463 43 G N -0.967 107.825 108.800 -0.014 0.000 2.601 43 G HA2 0.808 5.094 3.960 0.257 0.000 0.317 43 G HA3 0.808 4.917 3.960 0.249 0.000 0.317 43 G C -2.617 172.318 174.900 0.059 0.000 1.246 43 G CA -1.676 43.523 45.100 0.165 0.000 1.012 43 G HN 0.825 9.115 8.290 -0.001 0.000 0.494 44 G N -4.064 104.806 108.800 0.116 0.000 2.550 44 G HA2 0.480 4.771 3.960 0.089 0.000 0.293 44 G HA3 0.480 4.483 3.960 0.071 0.000 0.293 44 G C -2.844 172.149 174.900 0.155 0.000 1.402 44 G CA 0.232 45.392 45.100 0.101 0.000 0.784 44 G HN -0.592 7.803 8.290 0.175 0.000 0.482 45 S N -0.714 115.080 115.700 0.157 0.000 2.521 45 S HA 0.854 5.683 4.470 0.276 -0.193 0.295 45 S C -1.463 173.242 174.600 0.175 0.000 1.098 45 S CA -0.919 57.405 58.200 0.206 0.000 0.999 45 S CB 3.886 67.189 63.200 0.171 0.000 1.034 45 S HN 0.383 8.773 8.310 0.133 0.000 0.483 46 L N 5.548 126.890 121.223 0.198 0.000 2.281 46 L HA 0.225 4.762 4.340 0.149 -0.108 0.285 46 L C -0.653 176.302 176.870 0.141 0.000 1.074 46 L CA -0.336 54.600 54.840 0.161 0.000 0.817 46 L CB 1.243 43.395 42.059 0.156 0.000 1.168 46 L HN 0.525 8.806 8.230 0.261 0.107 0.434 47 I N -0.141 120.510 120.570 0.134 0.000 3.941 47 I HA 0.428 4.792 4.170 0.069 -0.152 0.321 47 I C -0.857 175.319 176.117 0.098 0.000 1.284 47 I CA -0.400 60.958 61.300 0.097 0.000 1.226 47 I CB 0.734 38.783 38.000 0.081 0.000 1.045 47 I HN 0.395 8.702 8.210 0.162 0.000 0.420 48 N N -3.379 115.400 118.700 0.131 0.000 3.355 48 N HA 0.072 4.867 4.740 0.092 0.000 0.238 48 N C -0.379 175.206 175.510 0.124 0.000 1.466 48 N CA -0.360 52.762 53.050 0.121 0.000 0.882 48 N CB 0.900 39.465 38.487 0.130 0.000 1.406 48 N HN -0.982 7.489 8.380 0.153 0.000 0.500 49 S N -1.286 114.472 115.700 0.096 0.000 2.440 49 S HA -0.303 4.203 4.470 0.060 0.000 0.238 49 S C 0.682 175.307 174.600 0.041 0.000 1.010 49 S CA 3.072 61.311 58.200 0.066 0.000 0.972 49 S CB -0.015 63.213 63.200 0.048 0.000 0.774 49 S HN 0.555 8.918 8.310 0.088 0.000 0.501 50 Q N -2.402 117.435 119.800 0.061 0.000 2.189 50 Q HA 0.244 4.507 4.340 -0.128 0.000 0.223 50 Q C -1.293 174.546 176.000 -0.269 0.000 0.828 50 Q CA 0.014 55.752 55.803 -0.108 0.000 0.967 50 Q CB 1.263 29.909 28.738 -0.153 0.000 1.139 50 Q HN 0.039 8.356 8.270 0.146 0.041 0.497 51 W N -1.991 119.315 121.300 0.010 0.000 2.936 51 W HA 0.624 5.475 4.660 0.008 -0.186 0.338 51 W C -1.623 174.909 176.519 0.021 0.000 1.121 51 W CA -0.790 56.560 57.345 0.007 0.000 1.209 51 W CB 3.886 33.337 29.460 -0.014 0.000 1.420 51 W HN -0.481 7.839 8.180 0.234 0.000 0.516 52 V N 1.314 121.394 119.914 0.277 0.000 2.823 52 V HA 0.810 5.204 4.120 0.176 -0.168 0.312 52 V C -1.480 174.733 176.094 0.199 0.000 1.072 52 V CA -1.844 60.569 62.300 0.188 0.000 0.937 52 V CB 3.875 35.767 31.823 0.114 0.000 1.013 52 V HN 0.895 9.269 8.190 0.307 0.000 0.430 53 V N 1.608 121.615 119.914 0.155 0.000 2.555 53 V HA 0.982 5.368 4.120 0.160 -0.170 0.302 53 V C -1.671 174.489 176.094 0.109 0.000 1.038 53 V CA -2.716 59.667 62.300 0.139 0.000 0.887 53 V CB 2.036 33.931 31.823 0.121 0.000 0.991 53 V HN 0.440 8.716 8.190 0.143 0.000 0.434 54 S N 4.417 120.171 115.700 0.090 0.000 2.880 54 S HA 0.574 5.289 4.470 0.055 -0.213 0.308 54 S C -1.789 172.819 174.600 0.013 0.000 1.195 54 S CA -2.607 55.620 58.200 0.046 0.000 0.866 54 S CB 2.116 65.328 63.200 0.020 0.000 1.254 54 S HN 0.633 9.007 8.310 0.107 0.000 0.571 55 A N -0.738 122.055 122.820 -0.046 0.000 2.306 55 A HA 0.433 4.868 4.320 -0.056 -0.149 0.314 55 A C 0.330 177.813 177.584 -0.168 0.000 1.164 55 A CA -1.439 50.541 52.037 -0.095 0.000 0.822 55 A CB 1.571 20.491 19.000 -0.133 0.000 1.130 55 A HN 0.312 8.422 8.150 -0.066 0.000 0.496 56 A N 4.578 127.239 122.820 -0.265 0.000 2.015 56 A HA -0.196 3.987 4.320 -0.229 0.000 0.219 56 A C 1.171 178.537 177.584 -0.365 0.000 1.163 56 A CA 2.598 54.359 52.037 -0.461 0.000 0.646 56 A CB -0.159 18.174 19.000 -1.113 0.000 0.806 56 A HN 0.545 8.600 8.150 -0.251 -0.056 0.448 57 H N -4.835 114.098 119.070 -0.229 0.000 2.563 57 H HA -0.045 4.563 4.556 0.087 0.000 0.272 57 H C -0.034 175.353 175.328 0.099 0.000 1.005 57 H CA 1.166 57.233 56.048 0.033 0.000 1.171 57 H CB -1.441 28.404 29.762 0.138 0.000 1.351 57 H HN 0.044 8.546 8.280 -0.099 -0.281 0.602 58 c N -1.654 116.833 118.600 -0.187 0.000 2.754 58 c HA 0.033 4.650 4.570 0.078 0.000 0.276 58 c C -0.617 173.558 174.090 0.143 0.000 1.264 58 c CA 0.174 56.505 56.329 0.003 0.000 1.700 58 c CB -1.443 41.038 42.510 -0.048 0.000 1.885 58 c HN -0.598 7.285 8.230 -0.236 0.205 0.607 59 Y N 2.659 122.956 120.300 -0.005 0.000 2.610 59 Y HA -0.251 4.321 4.550 0.036 0.000 0.332 59 Y C -1.040 174.843 175.900 -0.027 0.000 1.201 59 Y CA 1.720 59.823 58.100 0.006 0.000 1.465 59 Y CB 0.670 39.119 38.460 -0.017 0.000 1.283 59 Y HN -0.408 7.775 8.280 0.145 0.184 0.563 60 K N 7.102 126.876 120.400 -1.043 0.000 2.579 60 K HA 0.239 4.058 4.320 -0.835 0.000 0.284 60 K C -2.310 173.778 176.600 -0.853 0.000 0.990 60 K CA -1.543 54.215 56.287 -0.882 0.000 0.880 60 K CB 3.599 35.709 32.500 -0.650 0.000 1.488 60 K HN 0.240 7.931 8.250 -0.932 0.000 0.425 61 S N -0.870 114.511 115.700 -0.531 0.000 2.565 61 S HA 0.111 4.443 4.470 -0.231 0.000 0.290 61 S C 0.692 175.171 174.600 -0.202 0.000 1.150 61 S CA -0.654 57.383 58.200 -0.271 0.000 1.058 61 S CB 0.733 63.849 63.200 -0.140 0.000 1.032 61 S HN 0.136 8.172 8.310 -0.456 0.000 0.510 62 G N 4.989 113.713 108.800 -0.128 0.000 2.341 62 G HA2 -0.211 3.700 3.960 -0.080 0.000 0.278 62 G HA3 -0.211 3.677 3.960 -0.120 0.000 0.278 62 G C -1.904 172.932 174.900 -0.106 0.000 1.111 62 G CA -0.035 44.999 45.100 -0.109 0.000 0.982 62 G HN 0.376 8.609 8.290 -0.094 0.000 0.502 63 I N -1.003 119.525 120.570 -0.070 0.000 2.437 63 I HA 0.153 4.456 4.170 0.008 -0.129 0.298 63 I C -2.002 174.087 176.117 -0.045 0.000 0.984 63 I CA -1.213 60.076 61.300 -0.018 0.000 1.214 63 I CB 1.722 39.745 38.000 0.038 0.000 1.365 63 I HN -0.481 7.688 8.210 -0.067 0.000 0.469 64 Q N 5.816 125.576 119.800 -0.067 0.000 2.340 64 Q HA 0.462 4.867 4.340 -0.060 -0.100 0.268 64 Q C -1.773 174.166 176.000 -0.101 0.000 1.031 64 Q CA -1.452 54.299 55.803 -0.086 0.000 0.804 64 Q CB 3.969 32.630 28.738 -0.129 0.000 1.286 64 Q HN 0.383 8.614 8.270 -0.065 0.000 0.448 65 V N 7.083 126.961 119.914 -0.060 0.000 2.407 65 V HA 0.269 4.465 4.120 -0.078 -0.123 0.278 65 V C -1.240 174.858 176.094 0.008 0.000 1.037 65 V CA -0.138 62.138 62.300 -0.041 0.000 0.900 65 V CB 0.990 32.807 31.823 -0.011 0.000 0.983 65 V HN 1.097 9.155 8.190 -0.036 0.110 0.459 66 R N 6.597 127.093 120.500 -0.006 0.000 2.360 66 R HA 0.761 5.506 4.340 0.335 -0.203 0.318 66 R C -1.004 175.380 176.300 0.140 0.000 0.950 66 R CA -1.354 54.820 56.100 0.124 0.000 0.837 66 R CB 1.605 31.849 30.300 -0.093 0.000 1.165 66 R HN 0.686 8.924 8.270 -0.053 0.000 0.458 70 E N -0.294 120.015 120.200 0.181 0.000 2.313 70 E HA 0.077 4.525 4.350 0.164 0.000 0.272 70 E C -1.796 175.006 176.600 0.336 0.000 1.038 70 E CA 0.421 56.959 56.400 0.229 0.000 0.863 70 E CB 1.367 31.171 29.700 0.173 0.000 1.060 70 E HN -0.638 7.805 8.360 0.204 0.040 0.402 71 D N 1.641 122.214 120.400 0.288 0.000 2.957 71 D HA 0.054 4.897 4.640 0.338 0.000 0.175 71 D C -1.074 175.441 176.300 0.359 0.000 1.502 71 D CA 1.051 55.224 54.000 0.288 0.000 1.524 71 D CB 2.488 43.368 40.800 0.133 0.000 1.300 71 D HN 0.080 8.572 8.370 0.203 0.000 0.241 72 N N 1.038 119.855 118.700 0.194 0.000 2.411 72 N HA 0.249 5.255 4.740 0.198 -0.148 0.259 72 N C 2.101 177.636 175.510 0.042 0.000 1.103 72 N CA -0.387 52.747 53.050 0.141 0.000 0.954 72 N CB 0.725 39.264 38.487 0.086 0.000 1.085 72 N HN -0.336 8.442 8.380 0.143 -0.313 0.485 73 I N 0.545 121.057 120.570 -0.096 0.000 3.564 73 I HA -0.034 4.146 4.170 -0.230 -0.148 0.294 73 I C -0.620 175.415 176.117 -0.138 0.000 1.289 73 I CA 1.111 62.249 61.300 -0.269 0.000 1.325 73 I CB -0.787 36.807 38.000 -0.676 0.000 1.039 73 I HN 0.751 8.921 8.210 -0.067 0.000 0.474 74 N N -1.671 116.996 118.700 -0.055 0.000 2.205 74 N HA 0.152 4.871 4.740 -0.035 0.000 0.201 74 N C -0.870 174.647 175.510 0.011 0.000 1.128 74 N CA -0.100 52.938 53.050 -0.021 0.000 0.867 74 N CB 2.287 40.772 38.487 -0.004 0.000 0.996 74 N HN 0.008 8.671 8.380 -0.029 -0.300 0.503 75 V N -0.040 119.889 119.914 0.026 0.000 2.588 75 V HA 0.038 4.180 4.120 0.037 0.000 0.304 75 V C -1.369 174.759 176.094 0.057 0.000 1.042 75 V CA -1.127 61.197 62.300 0.040 0.000 0.877 75 V CB 3.224 35.069 31.823 0.036 0.000 0.996 75 V HN -0.797 7.450 8.190 0.021 -0.045 0.425 76 V N 7.534 127.482 119.914 0.058 0.000 2.405 76 V HA -0.200 4.186 4.120 0.077 -0.220 0.264 76 V C 0.331 176.435 176.094 0.017 0.000 1.048 76 V CA 0.704 63.033 62.300 0.048 0.000 0.966 76 V CB -0.330 31.514 31.823 0.034 0.000 1.015 76 V HN 0.285 8.506 8.190 0.051 0.000 0.477 77 E N 9.061 129.271 120.200 0.016 0.000 2.479 77 E HA 0.025 4.382 4.350 0.011 0.000 0.193 77 E C 0.514 177.108 176.600 -0.009 0.000 1.049 77 E CA -0.044 56.362 56.400 0.010 0.000 0.870 77 E CB 0.249 29.964 29.700 0.026 0.000 0.944 77 E HN 0.357 9.135 8.360 0.024 -0.403 0.492 78 G N -1.139 107.641 108.800 -0.034 0.000 2.259 78 G HA2 -0.357 3.565 3.960 -0.063 0.000 0.217 78 G HA3 -0.357 3.584 3.960 -0.032 0.000 0.217 78 G C -0.036 174.829 174.900 -0.059 0.000 1.001 78 G CA 0.414 45.485 45.100 -0.048 0.000 0.627 78 G HN -0.024 8.378 8.290 -0.044 -0.139 0.501 79 N N 0.640 119.313 118.700 -0.045 0.000 2.279 79 N HA 0.136 4.847 4.740 -0.047 0.000 0.226 79 N C -1.513 173.959 175.510 -0.064 0.000 1.126 79 N CA -0.431 52.594 53.050 -0.042 0.000 0.846 79 N CB 0.596 39.078 38.487 -0.009 0.000 1.050 79 N HN 0.386 8.693 8.380 -0.027 0.057 0.502 80 E N -0.464 119.653 120.200 -0.138 0.000 2.250 80 E HA 0.445 4.970 4.350 -0.068 -0.216 0.269 80 E C -0.403 176.009 176.600 -0.313 0.000 1.018 80 E CA -0.836 55.439 56.400 -0.208 0.000 0.873 80 E CB 1.276 30.748 29.700 -0.380 0.000 1.134 80 E HN -0.483 7.710 8.360 -0.163 0.069 0.403 81 Q N 0.063 119.739 119.800 -0.207 0.000 2.274 81 Q HA 0.319 4.519 4.340 -0.233 0.000 0.268 81 Q C -1.443 174.612 176.000 0.091 0.000 1.015 81 Q CA -1.117 54.606 55.803 -0.133 0.000 0.775 81 Q CB 3.183 31.904 28.738 -0.028 0.000 1.256 81 Q HN 0.385 8.624 8.270 -0.052 0.000 0.442 82 F N 3.603 123.535 119.950 -0.029 0.000 2.402 82 F HA 0.828 5.512 4.527 -0.044 -0.184 0.355 82 F C 0.102 175.879 175.800 -0.038 0.000 1.123 82 F CA -1.659 56.318 58.000 -0.039 0.000 1.021 82 F CB 1.969 40.943 39.000 -0.042 0.000 1.160 82 F HN 0.289 8.561 8.300 -0.047 0.000 0.451 83 I N 3.382 124.030 120.570 0.131 0.000 2.533 83 I HA 0.284 4.480 4.170 0.044 0.000 0.290 83 I C -1.234 174.886 176.117 0.005 0.000 1.056 83 I CA -1.294 60.033 61.300 0.046 0.000 1.057 83 I CB 4.354 42.365 38.000 0.019 0.000 1.240 83 I HN 1.052 9.228 8.210 0.124 0.108 0.423 84 S N 6.534 122.227 115.700 -0.011 0.000 2.603 84 S HA 0.138 4.700 4.470 -0.037 -0.114 0.268 84 S C -0.597 173.973 174.600 -0.051 0.000 1.317 84 S CA 0.755 58.935 58.200 -0.033 0.000 1.012 84 S CB 1.094 64.274 63.200 -0.032 0.000 0.926 84 S HN 0.512 8.819 8.310 -0.005 0.000 0.539 85 A N 2.420 125.208 122.820 -0.054 0.000 2.354 85 A HA 0.314 4.721 4.320 -0.098 -0.145 0.269 85 A C -0.343 177.198 177.584 -0.072 0.000 1.109 85 A CA -0.550 51.444 52.037 -0.071 0.000 0.800 85 A CB 0.948 19.921 19.000 -0.044 0.000 1.045 85 A HN -0.177 7.945 8.150 -0.047 0.000 0.489 86 S N 2.272 117.909 115.700 -0.105 0.000 2.483 86 S HA 0.083 4.517 4.470 -0.059 0.000 0.221 86 S C 0.463 175.029 174.600 -0.057 0.000 1.030 86 S CA 1.185 59.334 58.200 -0.085 0.000 0.925 86 S CB 1.349 64.480 63.200 -0.115 0.000 0.795 86 S HN 0.641 8.745 8.310 -0.155 0.113 0.511 87 K N 0.833 121.193 120.400 -0.067 0.000 2.562 87 K HA 0.221 4.562 4.320 0.034 0.000 0.267 87 K C -2.407 174.222 176.600 0.048 0.000 0.938 87 K CA 0.411 56.700 56.287 0.004 0.000 0.840 87 K CB 3.015 35.523 32.500 0.015 0.000 1.390 87 K HN -0.831 7.348 8.250 -0.118 0.000 0.428 88 S N 3.087 118.864 115.700 0.128 0.000 2.513 88 S HA 0.880 5.629 4.470 0.189 -0.166 0.299 88 S C -0.919 173.804 174.600 0.205 0.000 1.087 88 S CA -0.809 57.508 58.200 0.195 0.000 1.012 88 S CB 2.455 65.819 63.200 0.273 0.000 1.044 88 S HN 0.125 8.514 8.310 0.131 0.000 0.485 89 I N 6.955 127.667 120.570 0.237 0.000 2.476 89 I HA 0.181 4.452 4.170 0.169 0.000 0.281 89 I C -1.684 174.586 176.117 0.256 0.000 1.040 89 I CA -0.470 60.970 61.300 0.233 0.000 1.094 89 I CB 2.778 40.942 38.000 0.273 0.000 1.219 89 I HN 0.984 9.353 8.210 0.265 0.000 0.450 90 V N 7.372 127.363 119.914 0.128 0.000 2.607 90 V HA -0.109 4.056 4.120 0.076 0.000 0.289 90 V C -0.386 175.760 176.094 0.087 0.000 1.053 90 V CA -0.801 61.532 62.300 0.056 0.000 0.996 90 V CB 1.005 32.771 31.823 -0.095 0.000 0.995 90 V HN 0.283 8.508 8.190 0.058 0.000 0.476 91 H N 8.152 127.146 119.070 -0.128 0.000 3.094 91 H HA -0.117 4.008 4.556 -0.717 0.000 0.320 91 H C 0.137 175.355 175.328 -0.183 0.000 1.000 91 H CA 0.591 56.376 56.048 -0.439 0.000 1.413 91 H CB 1.682 31.087 29.762 -0.596 0.000 1.405 91 H HN -0.200 8.087 8.280 0.012 0.000 0.586 92 P HA -0.144 4.213 4.420 -0.105 0.000 0.218 92 P C -0.483 176.762 177.300 -0.092 0.000 1.146 92 P CA 1.926 64.880 63.100 -0.243 0.000 0.813 92 P CB 0.261 31.804 31.700 -0.262 0.000 0.778 93 S N -2.940 112.772 115.700 0.021 0.000 2.574 93 S HA 0.048 4.551 4.470 0.055 0.000 0.242 93 S C -1.298 173.413 174.600 0.186 0.000 0.982 93 S CA -0.495 57.795 58.200 0.151 0.000 0.977 93 S CB 0.550 63.857 63.200 0.179 0.000 0.814 93 S HN -0.588 7.612 8.310 -0.121 0.038 0.464 94 Y N 3.846 124.190 120.300 0.073 0.000 2.620 94 Y HA -0.273 4.469 4.550 -0.016 -0.201 0.330 94 Y C -0.802 175.089 175.900 -0.014 0.000 1.186 94 Y CA 0.795 58.899 58.100 0.007 0.000 1.467 94 Y CB 0.885 39.342 38.460 -0.004 0.000 1.262 94 Y HN -0.780 7.610 8.280 0.286 0.061 0.550 95 N N 7.880 126.199 118.700 -0.635 0.000 2.518 95 N HA 0.216 4.686 4.740 -0.450 0.000 0.254 95 N C -0.228 174.726 175.510 -0.926 0.000 0.979 95 N CA -1.339 51.360 53.050 -0.584 0.000 0.930 95 N CB 1.442 39.752 38.487 -0.295 0.000 1.152 95 N HN -0.090 8.003 8.380 -0.478 0.000 0.505 96 S N 6.878 122.049 115.700 -0.881 0.000 2.547 96 S HA -0.123 3.939 4.470 -0.679 0.000 0.235 96 S C 0.842 175.259 174.600 -0.305 0.000 0.980 96 S CA 2.236 60.100 58.200 -0.559 0.000 0.941 96 S CB -0.453 62.633 63.200 -0.191 0.000 0.763 96 S HN 0.637 8.548 8.310 -0.665 0.000 0.532 97 N N 1.542 120.064 118.700 -0.296 0.000 2.387 97 N HA -0.009 4.610 4.740 -0.202 0.000 0.176 97 N C 0.940 176.281 175.510 -0.283 0.000 1.022 97 N CA 2.061 54.973 53.050 -0.232 0.000 0.883 97 N CB 0.729 39.109 38.487 -0.177 0.000 1.019 97 N HN 0.074 8.489 8.380 -0.328 -0.232 0.435 98 T N -3.452 110.922 114.554 -0.299 0.000 3.014 98 T HA 0.074 4.199 4.350 -0.375 0.000 0.250 98 T C 0.181 174.646 174.700 -0.392 0.000 1.060 98 T CA -0.034 61.870 62.100 -0.326 0.000 1.040 98 T CB 1.532 70.274 68.868 -0.211 0.000 0.971 98 T HN -0.576 7.716 8.240 -0.296 -0.229 0.497 99 L N -3.578 117.451 121.223 -0.324 0.000 4.351 99 L HA -0.491 3.887 4.340 -0.060 -0.074 0.410 99 L C -1.876 175.003 176.870 0.015 0.000 1.150 99 L CA 0.481 55.234 54.840 -0.146 0.000 0.961 99 L CB -2.632 39.269 42.059 -0.263 0.000 2.130 99 L HN -0.137 7.881 8.230 -0.353 0.000 0.787 100 N N -0.762 117.905 118.700 -0.055 0.000 2.518 100 N HA -0.148 4.644 4.740 0.086 0.000 0.266 100 N C -0.045 175.516 175.510 0.086 0.000 1.196 100 N CA 0.713 53.782 53.050 0.032 0.000 0.947 100 N CB 1.135 39.616 38.487 -0.010 0.000 1.098 100 N HN -0.766 7.474 8.380 -0.159 0.045 0.450 101 N N -0.999 117.754 118.700 0.087 0.000 2.756 101 N HA -0.472 4.196 4.740 -0.119 0.000 0.248 101 N C -1.429 174.067 175.510 -0.024 0.000 1.062 101 N CA 1.338 54.343 53.050 -0.075 0.000 0.696 101 N CB -1.551 36.832 38.487 -0.175 0.000 0.946 101 N HN 0.651 9.102 8.380 0.118 0.000 0.548 102 D N -0.721 119.712 120.400 0.055 0.000 2.551 102 D HA 0.058 4.702 4.640 0.006 0.000 0.223 102 D C -2.064 174.154 176.300 -0.136 0.000 1.144 102 D CA -0.245 53.784 54.000 0.049 0.000 1.025 102 D CB -0.721 40.212 40.800 0.221 0.000 1.085 102 D HN -0.100 8.314 8.370 0.074 0.000 0.506 103 I N 2.131 122.547 120.570 -0.256 0.000 2.827 103 I HA 0.734 5.017 4.170 -0.107 -0.177 0.298 103 I C -3.104 172.978 176.117 -0.058 0.000 1.235 103 I CA -1.447 59.738 61.300 -0.191 0.000 1.021 103 I CB 3.873 41.643 38.000 -0.384 0.000 1.259 103 I HN -0.119 7.882 8.210 -0.280 0.041 0.427 104 M N 4.615 124.262 119.600 0.079 0.000 2.520 104 M HA 0.812 5.614 4.480 0.308 -0.136 0.283 104 M C -2.800 173.648 176.300 0.247 0.000 1.237 104 M CA -1.056 54.361 55.300 0.195 0.000 0.885 104 M CB 4.806 37.466 32.600 0.100 0.000 1.727 104 M HN 0.544 8.874 8.290 0.068 0.000 0.468 105 L N 0.323 121.726 121.223 0.300 0.000 2.329 105 L HA 0.914 5.593 4.340 0.261 -0.182 0.279 105 L C -1.256 175.818 176.870 0.341 0.000 1.014 105 L CA -1.490 53.529 54.840 0.297 0.000 0.814 105 L CB 3.327 45.511 42.059 0.209 0.000 1.257 105 L HN 0.496 8.933 8.230 0.345 0.000 0.424 106 I N 1.090 121.851 120.570 0.319 0.000 2.466 106 I HA 0.530 4.940 4.170 0.132 -0.160 0.289 106 I C -1.736 174.349 176.117 -0.054 0.000 1.026 106 I CA -1.263 60.123 61.300 0.143 0.000 1.078 106 I CB 3.269 41.320 38.000 0.084 0.000 1.249 106 I HN 0.942 9.359 8.210 0.345 0.000 0.429 107 K N 6.554 126.723 120.400 -0.386 0.000 2.138 107 K HA 0.724 4.500 4.320 -1.192 -0.172 0.263 107 K C -1.103 175.228 176.600 -0.448 0.000 0.965 107 K CA -2.112 53.618 56.287 -0.928 0.000 0.868 107 K CB 3.356 35.060 32.500 -1.327 0.000 1.083 107 K HN 0.669 8.780 8.250 -0.232 0.000 0.443 108 L N 4.370 125.352 121.223 -0.402 0.000 2.375 108 L HA 0.240 4.606 4.340 -0.158 -0.121 0.271 108 L C 1.702 178.456 176.870 -0.194 0.000 1.107 108 L CA -0.141 54.571 54.840 -0.213 0.000 0.806 108 L CB 0.439 42.412 42.059 -0.143 0.000 1.146 108 L HN 0.532 8.443 8.230 -0.530 0.000 0.447 109 K N 2.570 122.896 120.400 -0.123 0.000 2.097 109 K HA -0.244 4.011 4.320 -0.108 0.000 0.205 109 K C 0.054 176.606 176.600 -0.080 0.000 1.050 109 K CA 2.670 58.900 56.287 -0.095 0.000 0.938 109 K CB 0.428 32.891 32.500 -0.061 0.000 0.718 109 K HN 0.552 8.742 8.250 -0.099 0.000 0.442 110 S N -3.355 112.304 115.700 -0.069 0.000 2.599 110 S HA 0.164 4.605 4.470 -0.048 0.000 0.294 110 S C -1.810 172.758 174.600 -0.052 0.000 1.094 110 S CA -0.667 57.503 58.200 -0.050 0.000 0.931 110 S CB 2.880 66.062 63.200 -0.030 0.000 1.093 110 S HN -0.392 7.862 8.310 -0.068 0.015 0.488 111 A N 0.890 123.687 122.820 -0.037 0.000 2.371 111 A HA 0.001 4.451 4.320 -0.038 -0.153 0.257 111 A C -0.866 176.711 177.584 -0.012 0.000 1.089 111 A CA -0.193 51.829 52.037 -0.025 0.000 0.794 111 A CB 0.784 19.779 19.000 -0.008 0.000 1.029 111 A HN 0.134 8.266 8.150 -0.030 0.000 0.488 112 A N 1.870 124.690 122.820 -0.001 0.000 2.287 112 A HA 0.108 4.504 4.320 0.002 -0.075 0.273 112 A C -0.618 176.973 177.584 0.011 0.000 1.091 112 A CA -0.830 51.212 52.037 0.008 0.000 0.817 112 A CB 1.339 20.353 19.000 0.024 0.000 1.069 112 A HN 0.184 8.227 8.150 0.001 0.107 0.492 113 S N 0.067 115.772 115.700 0.008 0.000 2.429 113 S HA 0.117 4.593 4.470 0.010 0.000 0.302 113 S C -1.036 173.573 174.600 0.016 0.000 1.115 113 S CA -0.451 57.754 58.200 0.008 0.000 1.095 113 S CB 0.863 64.061 63.200 -0.002 0.000 0.987 113 S HN 0.092 8.773 8.310 0.004 -0.369 0.474 114 L N 6.146 127.382 121.223 0.022 0.000 2.350 114 L HA 0.180 4.673 4.340 0.035 -0.133 0.275 114 L C -0.483 176.401 176.870 0.023 0.000 1.099 114 L CA -0.375 54.483 54.840 0.030 0.000 0.808 114 L CB 0.391 42.472 42.059 0.037 0.000 1.149 114 L HN 0.331 8.573 8.230 0.021 0.000 0.442 115 N N 3.732 122.447 118.700 0.025 0.000 3.526 115 N HA 0.201 4.951 4.740 0.018 0.000 0.328 115 N C -1.096 174.428 175.510 0.024 0.000 1.601 115 N CA -0.703 52.358 53.050 0.019 0.000 0.834 115 N CB 0.752 39.245 38.487 0.010 0.000 1.983 115 N HN 0.351 8.640 8.380 0.031 0.110 0.579 116 S N -1.476 114.236 115.700 0.019 0.000 2.402 116 S HA -0.152 4.334 4.470 0.026 0.000 0.229 116 S C 0.559 175.170 174.600 0.020 0.000 1.021 116 S CA 2.566 60.778 58.200 0.021 0.000 0.974 116 S CB 0.166 63.375 63.200 0.015 0.000 0.800 116 S HN 0.167 8.486 8.310 0.014 0.000 0.484 117 R N -1.383 119.126 120.500 0.016 0.000 2.210 117 R HA -0.067 4.277 4.340 0.007 0.000 0.203 117 R C -1.401 174.911 176.300 0.019 0.000 1.010 117 R CA 1.002 57.110 56.100 0.013 0.000 1.008 117 R CB 1.127 31.433 30.300 0.009 0.000 0.923 117 R HN -0.079 8.469 8.270 0.014 -0.269 0.469 118 V N -1.165 118.766 119.914 0.028 0.000 2.409 118 V HA 0.293 4.628 4.120 0.047 -0.186 0.290 118 V C -2.040 174.089 176.094 0.059 0.000 1.017 118 V CA -1.194 61.133 62.300 0.043 0.000 0.841 118 V CB 1.874 33.719 31.823 0.036 0.000 1.003 118 V HN -0.526 7.894 8.190 0.026 -0.214 0.426 119 A N 6.942 129.813 122.820 0.085 0.000 2.515 119 A HA 0.482 4.851 4.320 0.083 0.000 0.296 119 A C -2.601 175.073 177.584 0.149 0.000 1.094 119 A CA -1.294 50.806 52.037 0.106 0.000 0.718 119 A CB 3.357 22.423 19.000 0.110 0.000 1.307 119 A HN 0.407 8.490 8.150 0.091 0.121 0.408 120 S N -1.699 114.075 115.700 0.124 0.000 2.687 120 S HA 0.598 5.294 4.470 0.159 -0.130 0.283 120 S C -0.750 173.907 174.600 0.094 0.000 1.170 120 S CA -1.556 56.718 58.200 0.124 0.000 1.008 120 S CB 1.794 65.047 63.200 0.088 0.000 1.026 120 S HN -0.025 8.343 8.310 0.096 0.000 0.541 121 I N 0.755 121.341 120.570 0.027 0.000 2.562 121 I HA 0.194 4.296 4.170 -0.112 0.000 0.301 121 I C -1.163 174.910 176.117 -0.074 0.000 1.003 121 I CA -1.803 59.420 61.300 -0.128 0.000 1.127 121 I CB 3.579 41.306 38.000 -0.455 0.000 1.304 121 I HN 0.453 8.694 8.210 0.051 0.000 0.446 122 S N 6.145 121.797 115.700 -0.080 0.000 2.584 122 S HA 0.240 4.695 4.470 -0.025 0.000 0.273 122 S C -0.626 173.948 174.600 -0.044 0.000 1.311 122 S CA 0.037 58.210 58.200 -0.045 0.000 1.034 122 S CB 0.726 63.904 63.200 -0.036 0.000 0.939 122 S HN 0.381 8.627 8.310 -0.106 0.000 0.513 123 L N 3.144 124.355 121.223 -0.021 0.000 2.418 123 L HA 0.245 4.585 4.340 -0.001 0.000 0.265 123 L C -1.464 175.402 176.870 -0.007 0.000 1.143 123 L CA -2.672 52.166 54.840 -0.004 0.000 0.809 123 L CB 0.074 42.138 42.059 0.008 0.000 1.124 123 L HN 0.390 8.610 8.230 -0.016 0.000 0.456 124 P HA 0.191 4.599 4.420 -0.019 0.000 0.276 124 P C -1.218 176.080 177.300 -0.004 0.000 1.244 124 P CA -0.649 62.447 63.100 -0.007 0.000 0.801 124 P CB 0.714 32.410 31.700 -0.005 0.000 1.006 128 c N 1.281 119.853 118.600 -0.047 0.000 2.534 128 c HA 0.125 4.651 4.570 -0.073 0.000 0.385 128 c C 0.213 174.239 174.090 -0.106 0.000 1.264 128 c CA -0.081 56.203 56.329 -0.075 0.000 2.342 128 c CB 0.164 42.633 42.510 -0.068 0.000 2.564 128 c HN -0.035 8.171 8.230 -0.041 0.000 0.603 129 A N 2.461 125.182 122.820 -0.166 0.000 2.286 129 A HA 0.003 4.250 4.320 -0.122 0.000 0.286 129 A C -1.033 176.443 177.584 -0.180 0.000 1.097 129 A CA -0.105 51.829 52.037 -0.172 0.000 0.821 129 A CB 0.810 19.680 19.000 -0.216 0.000 1.076 129 A HN 0.041 8.066 8.150 -0.209 0.000 0.490 133 G N 1.218 109.977 108.800 -0.067 0.000 2.254 133 G HA2 -0.245 3.684 3.960 -0.052 0.000 0.225 133 G HA3 -0.245 3.688 3.960 -0.045 0.000 0.225 133 G C -0.083 174.780 174.900 -0.061 0.000 1.003 133 G CA 0.158 45.225 45.100 -0.055 0.000 0.622 133 G HN 0.661 8.785 8.290 -0.073 0.122 0.507 134 T N 4.184 118.691 114.554 -0.078 0.000 2.916 134 T HA -0.124 4.191 4.350 -0.057 0.000 0.303 134 T C -0.807 173.850 174.700 -0.072 0.000 1.025 134 T CA 2.197 64.252 62.100 -0.076 0.000 1.142 134 T CB 0.485 69.292 68.868 -0.102 0.000 0.947 134 T HN -0.349 7.750 8.240 -0.092 0.085 0.544 135 Q N 4.583 124.354 119.800 -0.047 0.000 2.243 135 Q HA 0.159 4.607 4.340 -0.041 -0.132 0.252 135 Q C -0.868 175.115 176.000 -0.029 0.000 0.909 135 Q CA 0.068 55.853 55.803 -0.030 0.000 0.922 135 Q CB 1.315 30.054 28.738 0.001 0.000 1.215 135 Q HN 0.237 8.483 8.270 -0.039 0.000 0.427 136 c N 1.187 119.770 118.600 -0.027 0.000 2.913 136 c HA 0.653 5.331 4.570 -0.016 -0.118 0.322 136 c C -1.683 172.413 174.090 0.010 0.000 1.292 136 c CA -1.396 54.920 56.329 -0.022 0.000 1.649 136 c CB 4.249 46.727 42.510 -0.053 0.000 2.139 136 c HN 0.927 9.022 8.230 -0.030 0.116 0.475 137 L N 0.670 121.906 121.223 0.023 0.000 2.333 137 L HA 0.863 5.414 4.340 0.053 -0.179 0.280 137 L C -2.285 174.604 176.870 0.031 0.000 1.004 137 L CA -1.367 53.502 54.840 0.048 0.000 0.820 137 L CB 3.428 45.539 42.059 0.086 0.000 1.247 137 L HN 0.678 8.810 8.230 0.017 0.109 0.416 138 I N 7.195 127.768 120.570 0.006 0.000 2.474 138 I HA 0.882 5.307 4.170 0.030 -0.237 0.294 138 I C -1.451 174.639 176.117 -0.043 0.000 1.005 138 I CA -1.621 59.681 61.300 0.004 0.000 1.113 138 I CB 2.802 40.805 38.000 0.005 0.000 1.289 138 I HN 0.893 9.105 8.210 0.004 0.000 0.436 139 S N 2.392 118.063 115.700 -0.048 0.000 2.588 139 S HA 0.966 5.461 4.470 -0.213 -0.153 0.275 139 S C -1.189 173.308 174.600 -0.173 0.000 1.130 139 S CA -1.753 56.345 58.200 -0.170 0.000 0.855 139 S CB 3.748 66.814 63.200 -0.224 0.000 1.116 139 S HN -0.202 8.114 8.310 0.009 0.000 0.472 140 G N -1.174 107.436 108.800 -0.316 0.000 2.316 140 G HA2 0.167 3.925 3.960 -0.337 0.000 0.296 140 G HA3 0.167 4.246 3.960 -0.030 -0.136 0.296 140 G C -2.406 172.305 174.900 -0.314 0.000 1.399 140 G CA 0.599 45.550 45.100 -0.249 0.000 0.833 140 G HN 0.304 8.348 8.290 -0.411 0.000 0.565 141 W N 1.083 122.355 121.300 -0.046 0.000 3.015 141 W HA 0.395 5.006 4.660 -0.083 0.000 0.429 141 W C -0.291 176.267 176.519 0.065 0.000 0.976 141 W CA -1.000 56.284 57.345 -0.102 0.000 2.086 141 W CB 0.155 29.370 29.460 -0.408 0.000 1.125 141 W HN 0.580 8.968 8.180 0.345 0.000 0.721 142 G N 0.778 109.726 108.800 0.247 0.000 2.588 142 G HA2 0.007 4.238 3.960 0.452 0.000 0.281 142 G HA3 0.007 4.262 3.960 0.190 -0.181 0.281 142 G C -1.013 173.802 174.900 -0.141 0.000 1.236 142 G CA -0.903 44.322 45.100 0.208 0.000 0.969 142 G HN -0.353 8.213 8.290 0.156 -0.182 0.504 143 N N -0.582 117.839 118.700 -0.465 0.000 2.353 143 N HA -0.302 3.889 4.740 -1.209 -0.176 0.248 143 N C 0.795 176.130 175.510 -0.291 0.000 1.240 143 N CA 1.226 53.840 53.050 -0.726 0.000 0.862 143 N CB 0.627 38.803 38.487 -0.517 0.000 1.086 143 N HN -0.017 8.224 8.380 -0.232 0.000 0.453 144 T N -0.785 113.625 114.554 -0.241 0.000 3.044 144 T HA 0.173 4.570 4.350 -0.091 -0.102 0.260 144 T C -0.064 174.590 174.700 -0.076 0.000 1.019 144 T CA 0.297 62.328 62.100 -0.115 0.000 0.921 144 T CB 1.460 70.278 68.868 -0.083 0.000 1.053 144 T HN 0.330 8.389 8.240 -0.301 0.000 0.533 145 K N 2.030 122.380 120.400 -0.084 0.000 2.270 145 K HA 0.369 4.673 4.320 -0.028 0.000 0.255 145 K C -0.013 176.573 176.600 -0.024 0.000 0.936 145 K CA -2.077 54.186 56.287 -0.040 0.000 0.809 145 K CB 2.340 34.822 32.500 -0.030 0.000 1.131 145 K HN -0.711 7.673 8.250 -0.132 -0.213 0.427 146 S N 2.827 118.523 115.700 -0.007 0.000 2.348 146 S HA -0.183 4.293 4.470 0.010 0.000 0.219 146 S C 0.237 174.845 174.600 0.013 0.000 1.033 146 S CA 2.186 60.391 58.200 0.008 0.000 0.974 146 S CB 0.268 63.476 63.200 0.013 0.000 0.868 146 S HN 0.313 8.619 8.310 -0.006 0.000 0.459 147 S N 2.109 117.816 115.700 0.012 0.000 2.891 147 S HA 0.129 4.611 4.470 0.021 0.000 0.186 147 S C -0.939 173.670 174.600 0.015 0.000 1.401 147 S CA -0.130 58.080 58.200 0.016 0.000 1.035 147 S CB -0.443 62.766 63.200 0.015 0.000 1.293 147 S HN -0.298 8.017 8.310 0.008 0.000 0.493 148 G N 2.135 110.945 108.800 0.017 0.000 2.337 148 G HA2 -0.106 3.871 3.960 0.028 0.000 0.298 148 G HA3 -0.106 3.863 3.960 0.015 0.000 0.298 148 G C -2.829 172.084 174.900 0.021 0.000 1.335 148 G CA 0.169 45.281 45.100 0.020 0.000 0.875 148 G HN -0.719 7.548 8.290 0.019 0.034 0.579 149 T N -0.158 114.418 114.554 0.037 0.000 2.879 149 T HA 0.231 4.780 4.350 -0.000 -0.200 0.290 149 T C -1.464 173.268 174.700 0.055 0.000 0.993 149 T CA -0.531 61.604 62.100 0.058 0.000 0.975 149 T CB 2.366 71.322 68.868 0.146 0.000 0.981 149 T HN -0.088 8.177 8.240 0.041 0.000 0.439 150 S N 5.551 121.232 115.700 -0.032 0.000 2.652 150 S HA 0.193 4.730 4.470 0.112 0.000 0.273 150 S C -2.335 172.206 174.600 -0.099 0.000 1.172 150 S CA 0.179 58.389 58.200 0.018 0.000 1.009 150 S CB 1.307 64.504 63.200 -0.005 0.000 1.094 150 S HN 0.618 9.167 8.310 -0.201 -0.360 0.471 151 Y N 5.821 126.155 120.300 0.057 0.000 2.331 151 Y HA 0.264 4.866 4.550 0.087 0.000 0.338 151 Y C -1.133 174.812 175.900 0.075 0.000 0.992 151 Y CA -2.749 55.397 58.100 0.077 0.000 1.121 151 Y CB 1.158 39.669 38.460 0.085 0.000 1.184 151 Y HN 0.135 8.600 8.280 0.308 0.000 0.469 152 P HA 0.249 4.737 4.420 0.114 0.000 0.279 152 P C -1.823 175.605 177.300 0.213 0.000 1.252 152 P CA -1.060 62.128 63.100 0.146 0.000 0.811 152 P CB 2.002 33.754 31.700 0.086 0.000 1.035 153 D N -1.809 118.697 120.400 0.177 0.000 2.392 153 D HA 0.022 4.745 4.640 0.139 0.000 0.206 153 D C -0.990 175.482 176.300 0.287 0.000 1.046 153 D CA 1.028 55.130 54.000 0.170 0.000 0.865 153 D CB 0.874 41.730 40.800 0.094 0.000 0.969 153 D HN 0.416 8.867 8.370 0.135 0.000 0.509 154 V N -7.002 113.071 119.914 0.264 0.000 2.881 154 V HA 0.668 5.170 4.120 0.391 -0.148 0.316 154 V C -0.808 175.312 176.094 0.045 0.000 1.070 154 V CA -2.745 59.699 62.300 0.241 0.000 0.976 154 V CB 2.400 34.285 31.823 0.103 0.000 1.038 154 V HN -1.017 7.283 8.190 0.183 0.000 0.446 155 L N 2.630 123.731 121.223 -0.202 0.000 2.455 155 L HA -0.039 3.527 4.340 -1.290 0.000 0.272 155 L C -0.564 176.049 176.870 -0.428 0.000 1.174 155 L CA 0.747 55.151 54.840 -0.726 0.000 0.869 155 L CB 0.557 42.159 42.059 -0.761 0.000 1.130 155 L HN -0.282 8.129 8.230 0.001 -0.180 0.474 156 K N 5.278 125.405 120.400 -0.455 0.000 2.208 156 K HA 0.719 4.999 4.320 -0.338 -0.164 0.247 156 K C -1.194 175.148 176.600 -0.431 0.000 0.953 156 K CA -2.451 53.621 56.287 -0.358 0.000 0.837 156 K CB 2.693 35.044 32.500 -0.247 0.000 1.131 156 K HN -0.060 7.850 8.250 -0.566 0.000 0.431 157 c N -0.644 117.596 118.600 -0.600 0.000 2.667 157 c HA 0.983 5.478 4.570 -0.403 -0.166 0.323 157 c C -1.711 172.017 174.090 -0.603 0.000 1.214 157 c CA -0.867 55.062 56.329 -0.666 0.000 1.721 157 c CB 3.668 45.617 42.510 -0.936 0.000 2.275 157 c HN 0.771 8.465 8.230 -0.718 0.106 0.491 158 L N 0.502 121.572 121.223 -0.255 0.000 2.543 158 L HA 0.430 4.800 4.340 0.050 0.000 0.265 158 L C -2.625 174.304 176.870 0.099 0.000 0.945 158 L CA 0.296 55.128 54.840 -0.014 0.000 0.869 158 L CB 4.324 46.393 42.059 0.016 0.000 1.294 158 L HN 0.753 8.870 8.230 -0.189 0.000 0.405 159 K N 7.687 128.210 120.400 0.206 0.000 2.185 159 K HA 0.859 5.480 4.320 0.120 -0.230 0.269 159 K C -1.069 175.653 176.600 0.204 0.000 0.987 159 K CA -1.044 55.347 56.287 0.174 0.000 0.865 159 K CB 1.402 34.012 32.500 0.183 0.000 1.090 159 K HN 0.295 8.707 8.250 0.270 0.000 0.450 160 A N 5.034 127.912 122.820 0.097 0.000 2.574 160 A HA 0.601 4.952 4.320 0.052 0.000 0.297 160 A C -3.450 174.066 177.584 -0.113 0.000 1.062 160 A CA -2.475 49.556 52.037 -0.011 0.000 0.686 160 A CB 2.633 21.616 19.000 -0.030 0.000 1.285 160 A HN 0.687 8.865 8.150 0.047 0.000 0.403 161 P HA 0.782 5.354 4.420 -0.101 -0.213 0.285 161 P C -1.098 176.123 177.300 -0.133 0.000 1.269 161 P CA -1.502 61.509 63.100 -0.150 0.000 0.844 161 P CB 1.725 33.340 31.700 -0.142 0.000 1.094 162 I N -0.292 120.221 120.570 -0.094 0.000 2.529 162 I HA -0.059 4.248 4.170 0.044 -0.110 0.284 162 I C 0.258 176.353 176.117 -0.037 0.000 1.082 162 I CA 0.587 61.859 61.300 -0.046 0.000 1.406 162 I CB 0.406 38.313 38.000 -0.154 0.000 1.405 162 I HN 0.173 8.322 8.210 -0.103 0.000 0.548 163 L N 6.758 127.992 121.223 0.019 0.000 2.387 163 L HA 0.240 4.565 4.340 -0.025 0.000 0.266 163 L C -0.228 176.657 176.870 0.024 0.000 1.059 163 L CA -0.965 53.879 54.840 0.006 0.000 0.801 163 L CB 0.892 42.962 42.059 0.018 0.000 1.223 163 L HN 0.344 8.630 8.230 0.093 0.000 0.456 164 S N 0.123 115.831 115.700 0.013 0.000 2.579 164 S HA -0.113 4.363 4.470 0.009 0.000 0.275 164 S C 0.419 175.043 174.600 0.040 0.000 1.345 164 S CA -0.560 57.650 58.200 0.017 0.000 1.031 164 S CB 0.765 63.970 63.200 0.009 0.000 0.892 164 S HN 0.244 8.556 8.310 0.004 0.000 0.529 165 D N 2.881 123.306 120.400 0.043 0.000 2.219 165 D HA -0.201 4.489 4.640 0.084 0.000 0.205 165 D C 1.852 178.185 176.300 0.054 0.000 0.970 165 D CA 3.639 57.677 54.000 0.062 0.000 0.851 165 D CB -0.176 40.659 40.800 0.059 0.000 0.943 165 D HN 0.575 8.963 8.370 0.030 0.000 0.488 166 S N -0.132 115.590 115.700 0.037 0.000 2.368 166 S HA -0.305 4.187 4.470 0.037 0.000 0.224 166 S C 1.738 176.356 174.600 0.030 0.000 1.029 166 S CA 3.381 61.600 58.200 0.032 0.000 0.988 166 S CB -0.078 63.134 63.200 0.020 0.000 0.838 166 S HN 0.112 8.423 8.310 0.030 0.017 0.462 167 S N 2.708 118.423 115.700 0.025 0.000 2.406 167 S HA -0.054 4.420 4.470 0.006 0.000 0.228 167 S C 1.753 176.368 174.600 0.025 0.000 1.020 167 S CA 2.520 60.729 58.200 0.015 0.000 0.965 167 S CB -0.080 63.126 63.200 0.009 0.000 0.798 167 S HN -0.469 7.856 8.310 0.025 0.000 0.488 168 c N 3.975 122.609 118.600 0.057 0.000 2.436 168 c HA -0.267 4.369 4.570 0.109 0.000 0.277 168 c C 1.939 176.109 174.090 0.134 0.000 1.241 168 c CA 3.104 59.496 56.329 0.104 0.000 1.721 168 c CB -1.823 40.755 42.510 0.113 0.000 2.043 168 c HN -0.244 7.930 8.230 0.056 0.090 0.472 169 K N -0.933 119.531 120.400 0.107 0.000 2.097 169 K HA -0.327 4.092 4.320 0.165 0.000 0.205 169 K C 2.315 178.962 176.600 0.078 0.000 1.050 169 K CA 3.097 59.452 56.287 0.113 0.000 0.938 169 K CB -0.036 32.515 32.500 0.085 0.000 0.718 169 K HN 0.215 8.409 8.250 0.087 0.108 0.442 170 S N -1.085 114.636 115.700 0.036 0.000 2.423 170 S HA -0.236 4.243 4.470 0.015 0.000 0.231 170 S C 0.827 175.400 174.600 -0.044 0.000 1.014 170 S CA 2.861 61.063 58.200 0.004 0.000 0.965 170 S CB -0.096 63.100 63.200 -0.006 0.000 0.785 170 S HN -0.202 8.129 8.310 0.035 0.000 0.495 171 A N -0.845 121.917 122.820 -0.096 0.000 1.970 171 A HA -0.017 4.138 4.320 -0.275 0.000 0.216 171 A C -1.035 176.270 177.584 -0.464 0.000 1.170 171 A CA 1.586 53.423 52.037 -0.334 0.000 0.645 171 A CB 0.993 19.698 19.000 -0.492 0.000 0.816 171 A HN -0.739 7.258 8.150 -0.042 0.129 0.447 172 Y N -4.977 115.359 120.300 0.060 0.000 2.658 172 Y HA 0.495 5.116 4.550 0.119 0.000 0.362 172 Y C -2.605 173.356 175.900 0.101 0.000 1.017 172 Y CA -3.207 54.962 58.100 0.115 0.000 1.134 172 Y CB 0.226 38.800 38.460 0.191 0.000 1.144 172 Y HN -0.601 7.640 8.280 0.094 0.096 0.655 173 P HA -0.020 4.563 4.420 0.105 -0.100 0.267 173 P C 0.740 178.108 177.300 0.113 0.000 1.205 173 P CA 0.870 64.037 63.100 0.112 0.000 0.765 173 P CB 0.201 31.941 31.700 0.066 0.000 0.828 174 G N 3.750 112.607 108.800 0.095 0.000 2.166 174 G HA2 -0.371 3.625 3.960 0.060 0.000 0.260 174 G HA3 -0.371 3.621 3.960 0.053 0.000 0.260 174 G C 0.044 174.992 174.900 0.080 0.000 0.986 174 G CA 0.862 46.005 45.100 0.071 0.000 0.683 174 G HN 0.521 8.865 8.290 0.091 0.000 0.527 175 Q N -2.435 117.449 119.800 0.139 0.000 2.245 175 Q HA 0.089 4.461 4.340 0.054 0.000 0.236 175 Q C -0.489 175.635 176.000 0.206 0.000 0.842 175 Q CA -0.213 55.677 55.803 0.145 0.000 0.945 175 Q CB 1.679 30.550 28.738 0.222 0.000 1.122 175 Q HN -0.362 7.955 8.270 0.177 0.059 0.506 176 I N -0.148 120.542 120.570 0.199 0.000 2.359 176 I HA 0.086 4.396 4.170 0.234 0.000 0.294 176 I C -0.093 176.098 176.117 0.124 0.000 0.987 176 I CA -2.295 59.116 61.300 0.184 0.000 1.225 176 I CB -0.318 37.781 38.000 0.165 0.000 1.366 176 I HN -0.534 7.784 8.210 0.180 0.000 0.466 177 T N 2.313 116.938 114.554 0.118 0.000 2.919 177 T HA 0.381 4.772 4.350 0.069 0.000 0.282 177 T C 1.100 175.853 174.700 0.087 0.000 1.020 177 T CA -2.123 60.027 62.100 0.084 0.000 0.994 177 T CB 2.719 71.629 68.868 0.069 0.000 1.180 177 T HN -0.359 7.967 8.240 0.143 0.000 0.566 178 S N -1.423 114.316 115.700 0.064 0.000 2.547 178 S HA -0.225 4.285 4.470 0.068 0.000 0.235 178 S C -0.008 174.635 174.600 0.073 0.000 0.980 178 S CA 2.646 60.881 58.200 0.058 0.000 0.941 178 S CB -0.389 62.826 63.200 0.025 0.000 0.763 178 S HN 0.304 8.644 8.310 0.049 0.000 0.532 179 N N 0.797 119.553 118.700 0.093 0.000 2.276 179 N HA 0.206 5.013 4.740 0.111 0.000 0.212 179 N C -1.776 173.853 175.510 0.199 0.000 1.127 179 N CA -0.333 52.803 53.050 0.142 0.000 0.834 179 N CB 1.001 39.591 38.487 0.172 0.000 1.014 179 N HN -0.571 7.786 8.380 0.090 0.077 0.491 180 M N -1.174 118.530 119.600 0.172 0.000 2.550 180 M HA 0.777 5.522 4.480 0.100 -0.204 0.292 180 M C -2.251 174.163 176.300 0.190 0.000 1.221 180 M CA -0.303 55.075 55.300 0.131 0.000 0.873 180 M CB 5.045 37.696 32.600 0.085 0.000 1.727 180 M HN -0.715 7.579 8.290 0.152 0.087 0.459 181 F N -4.982 115.010 119.950 0.069 0.000 2.645 181 F HA 0.639 5.191 4.527 0.043 0.000 0.310 181 F C -2.535 173.316 175.800 0.086 0.000 1.102 181 F CA -2.228 55.809 58.000 0.062 0.000 0.952 181 F CB 2.398 41.432 39.000 0.055 0.000 1.326 181 F HN 0.328 8.488 8.300 -0.233 0.000 0.456 182 c N -0.104 118.648 118.600 0.254 0.000 2.391 182 c HA 1.024 5.848 4.570 0.089 -0.201 0.339 182 c C -1.055 173.207 174.090 0.288 0.000 1.205 182 c CA -1.066 55.367 56.329 0.172 0.000 1.937 182 c CB 2.820 45.395 42.510 0.109 0.000 2.341 182 c HN 0.848 9.269 8.230 0.318 0.000 0.516 183 A N 3.045 126.014 122.820 0.247 0.000 2.476 183 A HA 0.670 5.161 4.320 0.047 -0.143 0.280 183 A C -2.355 175.257 177.584 0.048 0.000 1.081 183 A CA -0.455 51.634 52.037 0.086 0.000 0.753 183 A CB 2.700 21.639 19.000 -0.102 0.000 1.248 183 A HN 0.360 8.707 8.150 0.329 0.000 0.424 184 Y N 2.516 122.846 120.300 0.050 0.000 2.350 184 Y HA -0.026 4.543 4.550 0.031 0.000 0.340 184 Y C 1.095 177.010 175.900 0.025 0.000 1.006 184 Y CA -1.194 56.926 58.100 0.033 0.000 1.166 184 Y CB 0.822 39.300 38.460 0.029 0.000 1.168 184 Y HN 0.150 8.549 8.280 0.198 0.000 0.502 185 L N 4.042 125.340 121.223 0.125 0.000 2.275 185 L HA -0.308 4.062 4.340 0.050 0.000 0.215 185 L C 1.257 178.171 176.870 0.073 0.000 1.119 185 L CA 2.202 57.083 54.840 0.068 0.000 0.790 185 L CB -0.481 41.598 42.059 0.033 0.000 0.919 185 L HN 0.517 8.809 8.230 0.102 0.000 0.443 186 E N -2.560 117.702 120.200 0.105 0.000 2.347 186 E HA -0.183 4.194 4.350 0.045 0.000 0.196 186 E C 0.099 176.732 176.600 0.056 0.000 1.008 186 E CA 0.372 56.812 56.400 0.066 0.000 0.852 186 E CB -0.076 29.660 29.700 0.060 0.000 0.783 186 E HN 0.069 8.485 8.360 0.157 0.038 0.505 187 G N 0.613 109.464 108.800 0.085 0.000 3.383 187 G HA2 -0.373 3.737 3.960 0.082 0.000 0.685 187 G HA3 -0.373 3.613 3.960 0.043 0.000 0.685 187 G C -0.782 174.144 174.900 0.043 0.000 1.104 187 G CA -0.457 44.682 45.100 0.065 0.000 0.957 187 G HN -0.614 7.599 8.290 0.135 0.158 0.461 188 K N 1.888 122.302 120.400 0.025 0.000 6.310 188 K HA -0.596 3.995 4.320 0.037 -0.249 0.657 188 K C -1.229 175.476 176.600 0.176 0.000 2.391 188 K CA 0.845 57.174 56.287 0.070 0.000 1.744 188 K CB 0.070 32.559 32.500 -0.018 0.000 1.874 188 K HN 0.187 8.473 8.250 0.059 0.000 0.277 189 D N 0.422 120.901 120.400 0.132 0.000 2.764 189 D HA 0.267 5.020 4.640 0.189 0.000 0.293 189 D C -1.828 174.537 176.300 0.108 0.000 1.287 189 D CA -0.672 53.412 54.000 0.141 0.000 0.768 189 D CB 3.732 44.597 40.800 0.108 0.000 1.288 189 D HN -0.020 8.404 8.370 0.090 0.000 0.426 190 S N -1.485 114.293 115.700 0.129 0.000 2.713 190 S HA 0.310 4.889 4.470 0.081 -0.060 0.277 190 S C -1.447 173.191 174.600 0.063 0.000 1.168 190 S CA -0.466 57.799 58.200 0.107 0.000 0.994 190 S CB 1.814 65.118 63.200 0.173 0.000 1.054 190 S HN 0.220 8.625 8.310 0.158 0.000 0.555 191 c N -1.820 116.819 118.600 0.064 0.000 3.272 191 c HA 0.196 4.799 4.570 0.054 0.000 0.363 191 c C -1.587 172.568 174.090 0.109 0.000 1.514 191 c CA -0.441 55.925 56.329 0.061 0.000 1.185 191 c CB 2.991 45.515 42.510 0.023 0.000 1.716 191 c HN 0.334 8.853 8.230 0.081 -0.240 0.440 192 Q N 1.887 121.766 119.800 0.131 0.000 2.304 192 Q HA -0.344 4.124 4.340 0.213 0.000 0.301 192 Q C 0.936 177.105 176.000 0.283 0.000 1.063 192 Q CA 2.121 58.049 55.803 0.209 0.000 0.947 192 Q CB 0.593 29.463 28.738 0.219 0.000 1.201 192 Q HN 0.475 8.807 8.270 0.103 0.000 0.389 193 G N 6.335 115.323 108.800 0.312 0.000 2.284 193 G HA2 -0.421 3.759 3.960 0.367 0.000 0.216 193 G HA3 -0.421 3.875 3.960 0.560 0.000 0.216 193 G C 0.667 175.799 174.900 0.387 0.000 1.009 193 G CA 0.925 46.276 45.100 0.417 0.000 0.625 193 G HN 0.351 8.805 8.290 0.274 0.000 0.501 194 D N 2.685 123.244 120.400 0.266 0.000 2.333 194 D HA 0.059 4.843 4.640 0.240 0.000 0.208 194 D C 0.124 176.533 176.300 0.181 0.000 0.984 194 D CA 1.121 55.247 54.000 0.209 0.000 0.873 194 D CB 0.427 41.312 40.800 0.142 0.000 0.935 194 D HN 0.164 8.568 8.370 0.231 0.104 0.521 195 S N -0.285 115.524 115.700 0.182 0.000 2.715 195 S HA -0.380 4.357 4.470 0.201 -0.146 0.318 195 S C 1.188 175.821 174.600 0.056 0.000 1.242 195 S CA 2.096 60.391 58.200 0.157 0.000 1.044 195 S CB -0.758 62.539 63.200 0.162 0.000 0.760 195 S HN -0.526 7.849 8.310 0.207 0.059 0.501 196 G N 4.905 113.734 108.800 0.048 0.000 2.234 196 G HA2 -0.470 3.566 3.960 0.013 0.000 0.260 196 G HA3 -0.470 3.580 3.960 -0.035 -0.111 0.260 196 G C -0.045 174.903 174.900 0.080 0.000 0.987 196 G CA 0.464 45.575 45.100 0.019 0.000 0.625 196 G HN 0.663 9.017 8.290 0.108 0.000 0.532 197 G N 0.855 109.725 108.800 0.116 0.000 2.621 197 G HA2 0.326 4.437 3.960 0.141 0.000 0.271 197 G HA3 0.326 4.428 3.960 0.140 -0.058 0.271 197 G C -2.627 172.365 174.900 0.154 0.000 1.236 197 G CA -2.019 43.164 45.100 0.140 0.000 0.958 197 G HN -0.288 7.973 8.290 0.122 0.102 0.512 198 P HA 0.265 4.772 4.420 0.145 0.000 0.281 198 P C -1.614 175.764 177.300 0.130 0.000 1.249 198 P CA -0.713 62.487 63.100 0.168 0.000 0.810 198 P CB 1.546 33.409 31.700 0.271 0.000 1.008 199 V N 2.308 122.278 119.914 0.092 0.000 2.419 199 V HA 0.360 4.675 4.120 0.007 -0.191 0.287 199 V C -1.299 174.812 176.094 0.029 0.000 1.017 199 V CA -0.459 61.859 62.300 0.030 0.000 0.844 199 V CB 1.949 33.767 31.823 -0.009 0.000 1.011 199 V HN -0.276 7.971 8.190 0.095 0.000 0.429 200 V N 7.991 127.911 119.914 0.010 0.000 2.417 200 V HA 0.672 4.958 4.120 -0.061 -0.203 0.291 200 V C -1.307 174.771 176.094 -0.027 0.000 1.024 200 V CA -1.314 60.962 62.300 -0.039 0.000 0.861 200 V CB 2.837 34.609 31.823 -0.084 0.000 0.985 200 V HN 0.733 8.942 8.190 0.033 0.000 0.436 201 c N 6.546 125.117 118.600 -0.048 0.000 2.482 201 c HA 0.622 5.170 4.570 -0.036 0.000 0.317 201 c C 0.645 174.704 174.090 -0.050 0.000 1.197 201 c CA -1.678 54.620 56.329 -0.052 0.000 1.432 201 c CB 1.961 44.419 42.510 -0.086 0.000 2.062 201 c HN 0.572 8.767 8.230 -0.059 0.000 0.471 202 S N 4.062 119.740 115.700 -0.036 0.000 3.581 202 S HA -0.466 3.991 4.470 -0.021 0.000 0.354 202 S C 0.213 174.794 174.600 -0.032 0.000 1.059 202 S CA 1.129 59.310 58.200 -0.031 0.000 1.060 202 S CB -1.179 61.998 63.200 -0.038 0.000 0.908 202 S HN 1.172 9.466 8.310 -0.028 0.000 0.475 203 G N -5.027 103.753 108.800 -0.034 0.000 2.162 203 G HA2 -0.457 3.477 3.960 -0.042 0.000 0.260 203 G HA3 -0.457 3.485 3.960 -0.030 0.000 0.260 203 G C -0.775 174.079 174.900 -0.076 0.000 0.976 203 G CA 0.387 45.460 45.100 -0.045 0.000 0.655 203 G HN 0.384 8.631 8.290 -0.029 0.026 0.533 210 Q N 1.178 121.002 119.800 0.040 0.000 2.392 210 Q HA 0.199 4.581 4.340 0.069 0.000 0.219 210 Q C -0.246 175.929 176.000 0.291 0.000 0.895 210 Q CA 0.153 56.004 55.803 0.081 0.000 0.929 210 Q CB 2.646 31.349 28.738 -0.059 0.000 1.077 210 Q HN 0.393 8.677 8.270 0.023 0.000 0.532 211 G N -2.959 106.026 108.800 0.307 0.000 2.695 211 G HA2 0.594 5.072 3.960 0.427 0.000 0.290 211 G HA3 0.594 4.820 3.960 0.443 0.000 0.290 211 G C -3.253 171.778 174.900 0.219 0.000 1.410 211 G CA -0.614 44.709 45.100 0.372 0.000 0.844 211 G HN -0.334 8.071 8.290 0.191 0.000 0.478 212 I N -1.489 119.204 120.570 0.205 0.000 2.533 212 I HA 0.540 5.035 4.170 0.176 -0.220 0.290 212 I C -0.515 175.728 176.117 0.210 0.000 1.056 212 I CA -1.374 60.031 61.300 0.175 0.000 1.057 212 I CB 4.446 42.511 38.000 0.109 0.000 1.240 212 I HN -0.423 7.971 8.210 0.181 -0.075 0.423 213 V N 7.548 127.598 119.914 0.227 0.000 2.458 213 V HA -0.238 3.885 4.120 0.004 0.000 0.287 213 V C -1.079 175.049 176.094 0.056 0.000 1.009 213 V CA 2.067 64.439 62.300 0.119 0.000 1.091 213 V CB -1.031 30.894 31.823 0.171 0.000 0.960 213 V HN 0.291 8.607 8.190 0.211 0.000 0.476 214 S N 7.968 123.586 115.700 -0.138 0.000 3.142 214 S HA 0.326 5.003 4.470 0.345 0.000 0.223 214 S C -0.642 173.966 174.600 0.013 0.000 0.939 214 S CA 0.930 59.169 58.200 0.067 0.000 0.826 214 S CB 1.873 65.110 63.200 0.062 0.000 0.823 214 S HN -0.033 7.976 8.310 -0.501 0.000 0.612 215 W N -1.151 119.945 121.300 -0.341 0.000 2.962 215 W HA 0.328 4.832 4.660 -0.259 0.000 0.405 215 W C -2.544 173.786 176.519 -0.315 0.000 1.121 215 W CA -0.755 56.402 57.345 -0.312 0.000 1.164 215 W CB 0.614 29.887 29.460 -0.312 0.000 1.489 215 W HN -0.202 7.648 8.180 -0.551 0.000 0.599 216 G N -1.955 106.874 108.800 0.049 0.000 2.320 216 G HA2 0.041 3.707 3.960 -0.489 0.000 0.296 216 G HA3 0.041 3.928 3.960 -0.121 0.000 0.296 216 G C -2.030 173.000 174.900 0.216 0.000 1.306 216 G CA -0.117 44.925 45.100 -0.098 0.000 0.836 216 G HN -0.199 8.331 8.290 0.401 0.000 0.517 220 c N 1.606 120.241 118.600 0.059 0.000 3.471 220 c HA 0.279 5.045 4.570 0.054 -0.163 0.191 220 c C -1.305 172.813 174.090 0.048 0.000 1.480 220 c CA -1.220 55.140 56.329 0.050 0.000 1.281 220 c CB -1.493 41.039 42.510 0.036 0.000 1.898 220 c HN 0.330 8.592 8.230 0.054 0.000 0.533 221 Q N -1.491 118.340 119.800 0.052 0.000 2.889 221 Q HA 0.087 4.447 4.340 0.033 0.000 0.262 221 Q C -1.578 174.443 176.000 0.034 0.000 0.966 221 Q CA -0.345 55.481 55.803 0.039 0.000 0.858 221 Q CB 3.154 31.915 28.738 0.039 0.000 1.845 221 Q HN -0.043 8.263 8.270 0.060 0.000 0.464 222 K N 3.695 124.109 120.400 0.023 0.000 2.401 222 K HA -0.326 4.202 4.320 0.031 -0.189 0.278 222 K C -0.178 176.419 176.600 -0.006 0.000 1.018 222 K CA 0.925 57.222 56.287 0.017 0.000 0.981 222 K CB 0.135 32.643 32.500 0.012 0.000 0.933 222 K HN 0.287 8.549 8.250 0.020 0.000 0.477 223 N N 2.290 120.983 118.700 -0.011 0.000 2.708 223 N HA -0.470 4.247 4.740 -0.040 0.000 0.251 223 N C -1.591 173.845 175.510 -0.123 0.000 1.123 223 N CA 1.945 54.963 53.050 -0.054 0.000 0.739 223 N CB -0.874 37.575 38.487 -0.062 0.000 1.113 223 N HN 0.767 9.031 8.380 0.010 0.122 0.561 224 K N -1.395 118.960 120.400 -0.076 0.000 2.762 224 K HA 0.527 4.649 4.320 -0.330 0.000 0.180 224 K C -2.420 174.216 176.600 0.060 0.000 1.067 224 K CA -3.760 52.474 56.287 -0.087 0.000 0.973 224 K CB 0.275 32.782 32.500 0.011 0.000 1.290 224 K HN -0.747 7.430 8.250 -0.018 0.063 0.604 225 P HA -0.049 4.428 4.420 0.094 0.000 0.273 225 P C -0.578 176.764 177.300 0.070 0.000 1.250 225 P CA -0.457 62.700 63.100 0.096 0.000 0.793 225 P CB 1.129 32.875 31.700 0.076 0.000 1.011 226 G N -2.259 106.560 108.800 0.032 0.000 2.503 226 G HA2 0.276 4.056 3.960 -0.299 0.000 0.257 226 G HA3 0.276 4.208 3.960 -0.175 -0.077 0.257 226 G C -1.771 172.841 174.900 -0.481 0.000 1.214 226 G CA -0.584 44.378 45.100 -0.229 0.000 0.839 226 G HN -0.374 7.990 8.290 0.123 0.000 0.559 227 V N 2.118 121.423 119.914 -1.014 0.000 2.495 227 V HA 0.593 4.483 4.120 -0.657 -0.164 0.298 227 V C -1.006 174.341 176.094 -1.246 0.000 1.031 227 V CA -0.927 60.719 62.300 -1.090 0.000 0.871 227 V CB 2.012 32.743 31.823 -1.820 0.000 0.988 227 V HN 0.570 8.127 8.190 -1.055 0.000 0.432 228 Y N 5.440 125.333 120.300 -0.678 0.000 2.485 228 Y HA 0.601 5.067 4.550 -0.380 -0.144 0.345 228 Y C 0.330 175.939 175.900 -0.486 0.000 0.998 228 Y CA -2.321 55.388 58.100 -0.651 0.000 1.059 228 Y CB 3.643 41.441 38.460 -1.103 0.000 1.234 228 Y HN 1.121 9.040 8.280 -0.602 0.000 0.461 229 T N 4.870 119.384 114.554 -0.067 0.000 2.851 229 T HA 0.019 4.576 4.350 0.103 -0.145 0.298 229 T C -0.692 174.145 174.700 0.228 0.000 0.977 229 T CA 1.555 63.705 62.100 0.083 0.000 1.126 229 T CB 0.492 69.395 68.868 0.059 0.000 0.916 229 T HN 0.436 8.667 8.240 -0.016 0.000 0.529 230 K N 8.412 129.034 120.400 0.371 0.000 2.150 230 K HA 0.191 4.962 4.320 0.751 0.000 0.261 230 K C 0.859 177.721 176.600 0.437 0.000 1.127 230 K CA -0.958 55.634 56.287 0.509 0.000 0.989 230 K CB -0.220 32.537 32.500 0.428 0.000 1.475 230 K HN 0.050 8.402 8.250 0.336 0.100 0.391 231 V N 5.679 125.833 119.914 0.400 0.000 2.453 231 V HA -0.524 3.905 4.120 0.515 0.000 0.252 231 V C 1.440 177.704 176.094 0.285 0.000 1.068 231 V CA 3.627 66.150 62.300 0.372 0.000 1.070 231 V CB -0.308 31.659 31.823 0.240 0.000 0.664 231 V HN 0.172 8.608 8.190 0.411 0.000 0.461 232 c N -3.699 115.001 118.600 0.166 0.000 2.409 232 c HA -0.219 4.397 4.570 0.077 0.000 0.284 232 c C 1.690 175.800 174.090 0.034 0.000 1.354 232 c CA 1.596 57.971 56.329 0.077 0.000 1.787 232 c CB -2.107 40.416 42.510 0.023 0.000 1.900 232 c HN 0.472 8.777 8.230 0.165 0.024 0.520 233 N N 0.343 119.032 118.700 -0.019 0.000 2.463 233 N HA -0.089 4.555 4.740 -0.160 0.000 0.181 233 N C -0.026 175.241 175.510 -0.405 0.000 1.078 233 N CA 1.219 54.114 53.050 -0.258 0.000 0.902 233 N CB -0.054 38.153 38.487 -0.467 0.000 0.970 233 N HN -0.430 7.947 8.380 0.067 0.043 0.451 234 Y N -4.864 115.514 120.300 0.131 0.000 2.584 234 Y HA 0.130 4.842 4.550 0.270 0.000 0.254 234 Y C 0.200 176.241 175.900 0.235 0.000 1.177 234 Y CA -0.587 57.656 58.100 0.238 0.000 1.216 234 Y CB -0.402 38.238 38.460 0.300 0.000 1.172 234 Y HN -0.225 7.979 8.280 0.180 0.184 0.529 235 V N 1.076 121.123 119.914 0.222 0.000 2.343 235 V HA -0.560 3.643 4.120 0.140 0.000 0.247 235 V C 1.271 177.425 176.094 0.101 0.000 1.051 235 V CA 4.944 67.326 62.300 0.137 0.000 1.036 235 V CB -0.542 31.326 31.823 0.075 0.000 0.654 235 V HN -0.750 7.531 8.190 0.152 0.000 0.451 236 S N 0.154 115.918 115.700 0.107 0.000 2.368 236 S HA -0.336 4.150 4.470 0.026 0.000 0.225 236 S C 1.600 176.260 174.600 0.100 0.000 1.030 236 S CA 3.746 61.991 58.200 0.075 0.000 0.999 236 S CB -0.572 62.674 63.200 0.076 0.000 0.844 236 S HN 0.091 8.465 8.310 0.107 0.000 0.459 237 W N 3.546 124.886 121.300 0.066 0.000 2.358 237 W HA -0.228 4.457 4.660 0.042 0.000 0.303 237 W C 1.213 177.749 176.519 0.029 0.000 1.208 237 W CA 3.280 60.675 57.345 0.082 0.000 1.274 237 W CB -0.040 29.558 29.460 0.230 0.000 1.138 237 W HN -0.421 7.978 8.180 0.365 0.000 0.515 238 I N -0.757 119.730 120.570 -0.137 0.000 2.142 238 I HA -0.758 2.878 4.170 -0.890 0.000 0.240 238 I C 1.864 177.718 176.117 -0.438 0.000 1.078 238 I CA 4.520 65.555 61.300 -0.441 0.000 1.343 238 I CB -0.201 37.727 38.000 -0.119 0.000 1.046 238 I HN 0.346 8.687 8.210 0.218 0.000 0.405 239 K N -1.588 118.667 120.400 -0.241 0.000 2.063 239 K HA -0.492 3.677 4.320 -0.251 0.000 0.208 239 K C 2.571 179.019 176.600 -0.254 0.000 1.048 239 K CA 3.838 59.992 56.287 -0.221 0.000 0.928 239 K CB -0.422 32.008 32.500 -0.116 0.000 0.713 239 K HN 0.141 8.312 8.250 -0.132 0.000 0.442 240 Q N -1.471 118.189 119.800 -0.233 0.000 2.119 240 Q HA -0.284 3.966 4.340 -0.150 0.000 0.201 240 Q C 2.229 178.052 176.000 -0.295 0.000 0.972 240 Q CA 3.403 59.085 55.803 -0.201 0.000 0.847 240 Q CB -0.082 28.587 28.738 -0.115 0.000 0.903 240 Q HN 0.013 8.155 8.270 -0.200 0.008 0.433 241 T N 1.926 116.183 114.554 -0.495 0.000 2.770 241 T HA -0.292 3.843 4.350 -0.358 0.000 0.263 241 T C 2.411 176.753 174.700 -0.597 0.000 1.039 241 T CA 5.014 66.779 62.100 -0.557 0.000 1.142 241 T CB -0.210 68.109 68.868 -0.915 0.000 0.868 241 T HN -0.128 7.753 8.240 -0.599 0.000 0.435 242 I N -2.270 117.810 120.570 -0.817 0.000 2.394 242 I HA -0.206 3.042 4.170 -1.536 0.000 0.251 242 I C 1.378 177.252 176.117 -0.405 0.000 1.136 242 I CA 3.034 63.697 61.300 -1.063 0.000 1.425 242 I CB -0.677 36.489 38.000 -1.389 0.000 1.079 242 I HN 0.112 7.854 8.210 -0.779 0.000 0.425 243 A N 0.383 123.035 122.820 -0.280 0.000 2.066 243 A HA -0.105 4.173 4.320 -0.070 0.000 0.218 243 A C 0.945 178.493 177.584 -0.059 0.000 1.157 243 A CA 2.362 54.328 52.037 -0.117 0.000 0.670 243 A CB -0.472 18.466 19.000 -0.104 0.000 0.804 243 A HN -0.217 7.717 8.150 -0.333 0.017 0.453 244 S N -3.230 112.418 115.700 -0.086 0.000 2.557 244 S HA 0.121 4.587 4.470 -0.007 0.000 0.223 244 S C -0.822 173.797 174.600 0.032 0.000 0.969 244 S CA 0.344 58.529 58.200 -0.026 0.000 0.927 244 S CB 0.535 63.708 63.200 -0.044 0.000 0.806 244 S HN -0.499 7.579 8.310 -0.162 0.135 0.489 245 N N 0.000 118.758 118.700 0.096 0.000 1.763 245 N HA 0.000 4.837 4.740 0.161 0.000 0.220 245 N CA 0.000 53.196 53.050 0.244 0.000 0.885 245 N CB 0.000 38.707 38.487 0.367 0.000 1.341 245 N HN 0.000 8.249 8.380 0.064 0.170 0.667