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 1o3i_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.188 4.170 0.031 0.000 0.288 16 I C 0.000 176.111 176.117 -0.011 0.000 1.063 16 I CA 0.000 61.300 61.300 0.000 0.000 1.566 16 I CB 0.000 37.967 38.000 -0.054 0.000 1.214 17 V N 5.689 125.607 119.914 0.007 0.000 2.472 17 V HA 0.225 4.475 4.120 -0.017 -0.140 0.290 17 V C 0.683 176.776 176.094 -0.001 0.000 1.037 17 V CA -1.521 60.778 62.300 -0.002 0.000 0.908 17 V CB 1.241 33.069 31.823 0.009 0.000 0.985 17 V HN 0.789 8.996 8.190 0.029 0.000 0.454 18 G N 6.682 115.476 108.800 -0.010 0.000 2.179 18 G HA2 -0.405 3.547 3.960 -0.014 0.000 0.257 18 G HA3 -0.405 3.705 3.960 -0.034 -0.170 0.257 18 G C -0.684 174.219 174.900 0.005 0.000 1.010 18 G CA 0.568 45.659 45.100 -0.015 0.000 0.736 18 G HN 0.798 9.081 8.290 -0.013 0.000 0.513 19 G N -1.184 107.619 108.800 0.004 0.000 2.583 19 G HA2 0.481 4.474 3.960 0.070 0.000 0.280 19 G HA3 0.481 4.452 3.960 -0.093 -0.068 0.280 19 G C -1.746 173.187 174.900 0.055 0.000 1.376 19 G CA -1.034 44.066 45.100 -0.000 0.000 1.043 19 G HN -0.676 7.569 8.290 -0.013 0.037 0.538 20 Y N -6.215 114.065 120.300 -0.033 0.000 2.609 20 Y HA 0.380 4.912 4.550 -0.029 0.000 0.342 20 Y C -1.716 174.159 175.900 -0.042 0.000 1.058 20 Y CA -2.941 55.139 58.100 -0.033 0.000 1.055 20 Y CB 1.108 39.551 38.460 -0.028 0.000 1.292 20 Y HN 0.382 8.184 8.280 -0.614 0.109 0.476 21 T N 2.463 117.061 114.554 0.075 0.000 2.799 21 T HA 0.084 4.507 4.350 -0.105 -0.136 0.296 21 T C 0.201 174.910 174.700 0.015 0.000 0.947 21 T CA 1.069 63.162 62.100 -0.012 0.000 1.141 21 T CB -0.069 68.822 68.868 0.039 0.000 0.891 21 T HN 0.011 8.349 8.240 0.164 0.000 0.533 22 c N 6.021 124.541 118.600 -0.132 0.000 2.446 22 c HA -0.083 4.483 4.570 -0.007 0.000 0.277 22 c C 0.233 174.332 174.090 0.016 0.000 1.275 22 c CA 0.584 56.867 56.329 -0.077 0.000 1.727 22 c CB 0.298 42.697 42.510 -0.186 0.000 2.010 22 c HN 0.011 8.116 8.230 -0.210 0.000 0.486 23 G N -1.705 107.092 108.800 -0.005 0.000 3.055 23 G HA2 -0.175 3.799 3.960 0.023 0.000 0.685 23 G HA3 -0.175 3.800 3.960 0.026 0.000 0.685 23 G C -1.812 173.087 174.900 -0.003 0.000 1.212 23 G CA -0.740 44.369 45.100 0.015 0.000 0.822 23 G HN -0.345 7.926 8.290 -0.031 0.000 0.610 24 A N 4.370 127.198 122.820 0.012 0.000 2.584 24 A HA -0.261 4.315 4.320 0.026 -0.240 0.239 24 A C -0.366 177.222 177.584 0.005 0.000 1.043 24 A CA 1.123 53.171 52.037 0.019 0.000 0.756 24 A CB 0.054 19.072 19.000 0.031 0.000 0.963 24 A HN 0.340 8.502 8.150 0.020 0.000 0.511 25 N N -2.741 115.959 118.700 0.000 0.000 2.693 25 N HA -0.376 4.349 4.740 -0.024 0.000 0.249 25 N C 0.426 175.912 175.510 -0.041 0.000 1.119 25 N CA 1.655 54.695 53.050 -0.017 0.000 0.717 25 N CB -1.236 37.254 38.487 0.004 0.000 1.071 25 N HN 0.563 8.951 8.380 0.014 0.000 0.555 26 T N -3.692 110.827 114.554 -0.057 0.000 3.081 26 T HA 0.021 4.356 4.350 -0.025 0.000 0.255 26 T C 0.037 174.673 174.700 -0.106 0.000 1.113 26 T CA 2.020 64.090 62.100 -0.049 0.000 1.082 26 T CB 0.457 69.311 68.868 -0.022 0.000 0.939 26 T HN -0.496 7.677 8.240 -0.061 0.030 0.506 27 V N 2.534 122.323 119.914 -0.209 0.000 2.271 27 V HA 0.390 4.230 4.120 -0.467 0.000 0.259 27 V C -1.519 174.260 176.094 -0.525 0.000 1.030 27 V CA -3.368 58.651 62.300 -0.467 0.000 0.957 27 V CB 0.409 31.942 31.823 -0.483 0.000 1.186 27 V HN -0.488 7.534 8.190 -0.177 0.061 0.471 28 P HA 0.046 4.509 4.420 -0.100 -0.103 0.230 28 P C -0.012 177.227 177.300 -0.103 0.000 1.158 28 P CA 1.553 64.568 63.100 -0.142 0.000 0.769 28 P CB 0.040 31.730 31.700 -0.016 0.000 0.807 29 Y N -6.322 114.001 120.300 0.038 0.000 2.462 29 Y HA 0.520 5.245 4.550 0.054 -0.143 0.261 29 Y C -0.542 175.392 175.900 0.056 0.000 1.146 29 Y CA -3.279 54.850 58.100 0.047 0.000 1.283 29 Y CB -1.069 37.416 38.460 0.041 0.000 1.090 29 Y HN -0.435 7.138 8.280 -1.082 0.058 0.526 30 Q N 3.063 122.744 119.800 -0.199 0.000 2.313 30 Q HA 0.130 4.669 4.340 0.117 -0.129 0.266 30 Q C -0.262 175.822 176.000 0.141 0.000 0.989 30 Q CA 0.210 56.004 55.803 -0.015 0.000 0.890 30 Q CB 0.792 29.407 28.738 -0.205 0.000 1.200 30 Q HN -0.641 7.258 8.270 -0.529 0.054 0.396 31 V N 1.356 121.390 119.914 0.199 0.000 3.046 31 V HA 0.826 5.182 4.120 0.192 -0.120 0.316 31 V C -1.797 174.446 176.094 0.249 0.000 1.104 31 V CA -2.884 59.528 62.300 0.187 0.000 1.006 31 V CB 3.842 35.725 31.823 0.100 0.000 1.058 31 V HN 0.340 8.643 8.190 0.189 0.000 0.440 32 S N 0.467 116.224 115.700 0.095 0.000 2.472 32 S HA 0.418 5.027 4.470 0.232 0.000 0.303 32 S C -1.072 173.427 174.600 -0.167 0.000 1.099 32 S CA -2.199 56.001 58.200 -0.001 0.000 1.077 32 S CB 1.697 64.658 63.200 -0.399 0.000 1.031 32 S HN 0.157 8.480 8.310 0.022 0.000 0.487 33 L N 7.103 128.104 121.223 -0.370 0.000 2.264 33 L HA 0.478 4.738 4.340 -0.333 -0.120 0.289 33 L C -1.585 174.900 176.870 -0.640 0.000 1.044 33 L CA -0.753 53.742 54.840 -0.575 0.000 0.807 33 L CB 0.746 42.222 42.059 -0.971 0.000 1.192 33 L HN 0.771 8.751 8.230 -0.417 0.000 0.425 38 G N 0.747 109.442 108.800 -0.176 0.000 2.176 38 G HA2 -0.340 3.606 3.960 -0.023 0.000 0.232 38 G HA3 -0.340 3.675 3.960 0.092 0.000 0.232 38 G C -1.884 173.101 174.900 0.142 0.000 0.986 38 G CA 0.230 45.336 45.100 0.010 0.000 0.643 38 G HN 0.245 8.682 8.290 -0.200 -0.267 0.522 39 Y N -7.532 112.740 120.300 -0.047 0.000 2.687 39 Y HA 0.189 4.704 4.550 -0.058 0.000 0.338 39 Y C -2.529 173.370 175.900 -0.001 0.000 1.189 39 Y CA -3.580 54.496 58.100 -0.039 0.000 1.097 39 Y CB 0.765 39.198 38.460 -0.044 0.000 1.342 39 Y HN -1.253 6.814 8.280 -0.395 -0.024 0.461 40 H N 2.432 121.465 119.070 -0.061 0.000 2.767 40 H HA -0.044 4.497 4.556 -0.289 -0.158 0.316 40 H C -0.729 174.588 175.328 -0.018 0.000 1.059 40 H CA 0.439 56.382 56.048 -0.174 0.000 1.461 40 H CB 0.353 29.982 29.762 -0.223 0.000 1.475 40 H HN 0.259 8.638 8.280 0.165 0.000 0.531 41 F N 1.325 120.803 119.950 -0.787 0.000 2.747 41 F HA 0.355 4.748 4.527 -0.224 0.000 0.305 41 F C -1.625 173.904 175.800 -0.451 0.000 1.065 41 F CA -0.298 57.433 58.000 -0.448 0.000 1.230 41 F CB 1.700 40.518 39.000 -0.304 0.000 1.027 41 F HN -0.091 7.569 8.300 -1.067 0.000 0.607 42 c N -1.821 116.093 118.600 -1.143 0.000 3.332 42 c HA 0.335 4.767 4.570 -0.231 0.000 0.329 42 c C -1.640 172.248 174.090 -0.337 0.000 1.434 42 c CA -0.246 55.751 56.329 -0.554 0.000 1.314 42 c CB 4.144 46.364 42.510 -0.485 0.000 1.664 42 c HN -0.850 6.394 8.230 -1.643 0.000 0.457 43 G N -1.141 107.640 108.800 -0.030 0.000 2.705 43 G HA2 0.825 5.063 3.960 0.226 0.000 0.299 43 G HA3 0.825 4.908 3.960 0.205 0.000 0.299 43 G C -2.565 172.353 174.900 0.029 0.000 1.315 43 G CA -1.704 43.475 45.100 0.131 0.000 1.045 43 G HN 0.804 9.076 8.290 -0.029 0.000 0.517 44 G N -4.026 104.827 108.800 0.089 0.000 2.506 44 G HA2 0.505 4.796 3.960 0.061 0.000 0.292 44 G HA3 0.505 4.493 3.960 0.047 0.000 0.292 44 G C -2.889 172.092 174.900 0.135 0.000 1.425 44 G CA 0.359 45.505 45.100 0.076 0.000 0.788 44 G HN -0.627 7.751 8.290 0.147 0.000 0.490 45 S N -0.317 115.467 115.700 0.140 0.000 2.532 45 S HA 0.786 5.614 4.470 0.265 -0.199 0.299 45 S C -1.201 173.497 174.600 0.164 0.000 1.105 45 S CA -0.866 57.449 58.200 0.191 0.000 1.018 45 S CB 3.658 66.949 63.200 0.152 0.000 1.021 45 S HN 0.396 8.774 8.310 0.114 0.000 0.483 46 L N 6.641 127.979 121.223 0.191 0.000 2.361 46 L HA 0.106 4.646 4.340 0.145 -0.113 0.278 46 L C -0.733 176.221 176.870 0.140 0.000 1.113 46 L CA 0.073 55.008 54.840 0.158 0.000 0.849 46 L CB 0.762 42.915 42.059 0.156 0.000 1.155 46 L HN 0.462 8.842 8.230 0.250 0.000 0.452 47 I N 0.100 120.749 120.570 0.132 0.000 4.070 47 I HA 0.456 4.805 4.170 0.066 -0.140 0.328 47 I C -0.931 175.245 176.117 0.099 0.000 1.298 47 I CA -0.545 60.810 61.300 0.093 0.000 1.173 47 I CB 0.806 38.849 38.000 0.071 0.000 1.051 47 I HN 0.394 8.700 8.210 0.161 0.000 0.409 48 N N -2.378 116.405 118.700 0.137 0.000 3.116 48 N HA 0.169 4.967 4.740 0.097 0.000 0.244 48 N C -0.545 175.045 175.510 0.134 0.000 1.485 48 N CA -0.579 52.549 53.050 0.130 0.000 0.884 48 N CB 0.900 39.478 38.487 0.150 0.000 1.415 48 N HN -0.929 7.548 8.380 0.162 0.000 0.524 49 S N -3.427 112.337 115.700 0.108 0.000 2.507 49 S HA -0.330 4.182 4.470 0.071 0.000 0.235 49 S C 0.794 175.427 174.600 0.054 0.000 0.988 49 S CA 2.718 60.963 58.200 0.076 0.000 0.944 49 S CB -0.165 63.069 63.200 0.056 0.000 0.762 49 S HN 0.405 8.775 8.310 0.100 0.000 0.526 50 Q N -0.697 119.148 119.800 0.075 0.000 2.140 50 Q HA 0.334 4.612 4.340 -0.104 0.000 0.227 50 Q C -2.157 173.710 176.000 -0.222 0.000 0.798 50 Q CA -0.399 55.349 55.803 -0.090 0.000 0.987 50 Q CB 2.807 31.469 28.738 -0.127 0.000 1.161 50 Q HN 0.165 8.847 8.270 0.172 -0.308 0.480 51 W N -2.046 119.260 121.300 0.010 0.000 2.915 51 W HA 0.651 5.510 4.660 0.006 -0.196 0.337 51 W C -1.489 175.042 176.519 0.020 0.000 1.102 51 W CA -1.068 56.281 57.345 0.008 0.000 1.224 51 W CB 3.831 33.286 29.460 -0.008 0.000 1.416 51 W HN -0.327 8.131 8.180 0.260 -0.122 0.503 52 V N 1.145 121.220 119.914 0.267 0.000 2.823 52 V HA 0.781 5.175 4.120 0.168 -0.173 0.312 52 V C -1.498 174.705 176.094 0.182 0.000 1.072 52 V CA -1.782 60.624 62.300 0.177 0.000 0.937 52 V CB 3.911 35.796 31.823 0.104 0.000 1.013 52 V HN 0.533 8.896 8.190 0.289 0.000 0.430 53 V N 5.096 125.094 119.914 0.140 0.000 2.581 53 V HA 0.738 5.106 4.120 0.148 -0.160 0.303 53 V C -1.275 174.871 176.094 0.087 0.000 1.041 53 V CA -1.296 61.079 62.300 0.124 0.000 0.907 53 V CB 2.380 34.268 31.823 0.109 0.000 0.994 53 V HN 0.609 8.876 8.190 0.129 0.000 0.442 54 S N 3.822 119.559 115.700 0.062 0.000 2.973 54 S HA 0.540 5.237 4.470 0.018 -0.216 0.317 54 S C -2.083 172.501 174.600 -0.028 0.000 1.196 54 S CA -2.475 55.732 58.200 0.011 0.000 0.894 54 S CB 2.402 65.594 63.200 -0.014 0.000 1.292 54 S HN 0.694 9.051 8.310 0.078 0.000 0.614 55 A N -0.640 122.121 122.820 -0.099 0.000 2.312 55 A HA 0.476 4.881 4.320 -0.122 -0.159 0.326 55 A C 0.557 178.016 177.584 -0.208 0.000 1.172 55 A CA -1.666 50.272 52.037 -0.164 0.000 0.821 55 A CB 1.670 20.512 19.000 -0.265 0.000 1.166 55 A HN 0.244 8.323 8.150 -0.119 0.000 0.493 56 A N 4.851 127.491 122.820 -0.299 0.000 1.972 56 A HA -0.264 3.911 4.320 -0.242 0.000 0.219 56 A C 1.298 178.643 177.584 -0.399 0.000 1.169 56 A CA 2.898 54.645 52.037 -0.485 0.000 0.635 56 A CB -0.446 17.830 19.000 -1.207 0.000 0.810 56 A HN 0.657 8.647 8.150 -0.289 -0.014 0.446 57 H N -4.722 114.179 119.070 -0.282 0.000 2.563 57 H HA -0.079 4.508 4.556 0.052 0.000 0.272 57 H C 0.076 175.452 175.328 0.080 0.000 1.005 57 H CA 1.350 57.397 56.048 -0.002 0.000 1.171 57 H CB -1.208 28.620 29.762 0.111 0.000 1.351 57 H HN 0.001 8.451 8.280 -0.209 -0.296 0.602 58 c N -1.419 117.128 118.600 -0.088 0.000 2.791 58 c HA -0.004 4.663 4.570 0.161 0.000 0.270 58 c C -0.960 173.230 174.090 0.167 0.000 1.257 58 c CA 0.052 56.418 56.329 0.062 0.000 1.699 58 c CB -1.290 41.190 42.510 -0.050 0.000 1.904 58 c HN -0.633 7.302 8.230 -0.173 0.191 0.603 59 Y N 2.391 122.707 120.300 0.027 0.000 2.683 59 Y HA -0.185 4.393 4.550 0.047 0.000 0.340 59 Y C -1.495 174.406 175.900 0.002 0.000 1.245 59 Y CA 1.561 59.676 58.100 0.026 0.000 1.485 59 Y CB 1.063 39.519 38.460 -0.006 0.000 1.328 59 Y HN -0.458 7.750 8.280 0.175 0.177 0.603 60 K N 4.857 124.463 120.400 -1.325 0.000 2.931 60 K HA 0.149 4.051 4.320 -0.698 0.000 0.292 60 K C -2.571 173.533 176.600 -0.827 0.000 1.077 60 K CA -0.948 54.817 56.287 -0.870 0.000 0.829 60 K CB 1.848 34.020 32.500 -0.546 0.000 1.488 60 K HN -0.039 7.182 8.250 -1.716 0.000 0.358 61 S N -0.439 114.998 115.700 -0.437 0.000 2.713 61 S HA 0.135 4.450 4.470 -0.258 0.000 0.283 61 S C 0.673 175.147 174.600 -0.210 0.000 1.161 61 S CA -0.394 57.655 58.200 -0.251 0.000 0.999 61 S CB 1.341 64.478 63.200 -0.104 0.000 1.039 61 S HN -0.169 7.946 8.310 -0.325 0.000 0.548 62 G N 0.055 108.770 108.800 -0.141 0.000 2.289 62 G HA2 -0.243 3.663 3.960 -0.091 0.000 0.280 62 G HA3 -0.243 3.641 3.960 -0.128 0.000 0.280 62 G C -1.734 173.090 174.900 -0.128 0.000 1.089 62 G CA 0.163 45.190 45.100 -0.122 0.000 0.939 62 G HN 0.306 8.530 8.290 -0.111 0.000 0.499 63 I N -1.191 119.318 120.570 -0.101 0.000 2.359 63 I HA 0.155 4.432 4.170 -0.019 -0.117 0.294 63 I C -1.707 174.371 176.117 -0.066 0.000 0.987 63 I CA -1.049 60.221 61.300 -0.050 0.000 1.225 63 I CB 1.263 39.257 38.000 -0.009 0.000 1.366 63 I HN -0.517 7.634 8.210 -0.098 0.000 0.466 64 Q N 6.887 126.635 119.800 -0.087 0.000 3.184 64 Q HA 0.528 4.820 4.340 -0.080 0.000 0.236 64 Q C -1.663 174.255 176.000 -0.135 0.000 1.038 64 Q CA -1.944 53.791 55.803 -0.112 0.000 0.857 64 Q CB 4.249 32.889 28.738 -0.164 0.000 1.957 64 Q HN 0.538 8.759 8.270 -0.082 0.000 0.453 65 R N -2.530 117.909 120.500 -0.100 0.000 2.937 65 R HA 0.413 4.980 4.340 0.109 -0.162 0.273 65 R C -1.398 174.936 176.300 0.057 0.000 1.176 65 R CA 0.042 56.119 56.100 -0.037 0.000 1.132 65 R CB 2.442 32.581 30.300 -0.269 0.000 1.270 65 R HN 0.536 8.731 8.270 -0.124 0.000 0.425 70 E N -0.707 119.594 120.200 0.168 0.000 2.319 70 E HA 0.079 4.512 4.350 0.139 0.000 0.268 70 E C -1.597 175.199 176.600 0.327 0.000 1.050 70 E CA 0.638 57.154 56.400 0.193 0.000 0.878 70 E CB 1.370 31.105 29.700 0.058 0.000 1.066 70 E HN -0.562 7.863 8.360 0.185 0.046 0.406 71 D N 1.263 121.833 120.400 0.283 0.000 2.887 71 D HA 0.053 4.938 4.640 0.407 0.000 0.162 71 D C -1.150 175.351 176.300 0.336 0.000 1.495 71 D CA 1.335 55.522 54.000 0.311 0.000 1.531 71 D CB 2.419 43.307 40.800 0.147 0.000 1.459 71 D HN 0.138 8.615 8.370 0.179 0.000 0.256 72 N N 0.930 119.731 118.700 0.168 0.000 2.406 72 N HA 0.246 5.210 4.740 0.164 -0.125 0.251 72 N C 2.012 177.523 175.510 0.002 0.000 1.069 72 N CA -0.923 52.193 53.050 0.111 0.000 0.947 72 N CB 0.493 39.024 38.487 0.073 0.000 1.111 72 N HN -0.639 7.817 8.380 0.126 0.000 0.497 73 I N 0.321 120.805 120.570 -0.143 0.000 3.001 73 I HA -0.101 4.047 4.170 -0.291 -0.152 0.268 73 I C -0.244 175.792 176.117 -0.136 0.000 1.267 73 I CA 1.548 62.669 61.300 -0.297 0.000 1.472 73 I CB -0.588 37.022 38.000 -0.649 0.000 1.089 73 I HN 0.450 8.589 8.210 -0.118 0.000 0.468 74 N N -2.062 116.605 118.700 -0.056 0.000 2.236 74 N HA 0.147 4.872 4.740 -0.024 0.000 0.196 74 N C -0.766 174.751 175.510 0.013 0.000 1.114 74 N CA 0.554 53.594 53.050 -0.016 0.000 0.859 74 N CB 1.597 40.085 38.487 0.001 0.000 0.982 74 N HN -0.203 8.416 8.380 -0.036 -0.261 0.493 75 V N 0.033 119.960 119.914 0.022 0.000 2.709 75 V HA 0.050 4.189 4.120 0.032 0.000 0.308 75 V C -1.429 174.691 176.094 0.043 0.000 1.062 75 V CA -1.178 61.142 62.300 0.033 0.000 0.901 75 V CB 3.242 35.082 31.823 0.029 0.000 1.003 75 V HN -0.854 7.370 8.190 0.013 -0.026 0.425 76 V N 6.610 126.546 119.914 0.037 0.000 2.461 76 V HA -0.156 4.166 4.120 0.037 -0.180 0.275 76 V C -0.057 176.038 176.094 0.003 0.000 1.047 76 V CA 0.564 62.874 62.300 0.017 0.000 0.955 76 V CB 0.297 32.107 31.823 -0.023 0.000 0.988 76 V HN 0.224 8.433 8.190 0.031 0.000 0.471 77 E N 7.269 127.471 120.200 0.003 0.000 2.606 77 E HA 0.173 4.524 4.350 0.002 0.000 0.224 77 E C -0.434 176.162 176.600 -0.006 0.000 0.930 77 E CA -0.539 55.863 56.400 0.004 0.000 1.125 77 E CB 1.217 30.930 29.700 0.020 0.000 1.123 77 E HN 0.455 9.337 8.360 0.005 -0.519 0.522 78 G N 0.300 109.088 108.800 -0.021 0.000 2.576 78 G HA2 -0.221 3.708 3.960 -0.051 0.000 0.686 78 G HA3 -0.221 3.727 3.960 -0.021 0.000 0.686 78 G C -1.778 173.110 174.900 -0.019 0.000 1.242 78 G CA -0.655 44.427 45.100 -0.030 0.000 0.819 78 G HN -0.419 8.265 8.290 -0.027 -0.410 0.655 79 N N -4.023 114.661 118.700 -0.027 0.000 2.980 79 N HA -0.296 4.435 4.740 -0.015 0.000 0.219 79 N C -0.999 174.505 175.510 -0.010 0.000 0.883 79 N CA 1.332 54.375 53.050 -0.011 0.000 1.018 79 N CB -0.245 38.249 38.487 0.011 0.000 1.041 79 N HN 0.156 8.512 8.380 -0.040 0.000 0.592 80 E N -1.302 118.875 120.200 -0.038 0.000 2.366 80 E HA 0.247 4.850 4.350 0.057 -0.218 0.266 80 E C -0.045 176.501 176.600 -0.091 0.000 1.051 80 E CA 0.387 56.772 56.400 -0.026 0.000 0.884 80 E CB 0.622 30.284 29.700 -0.065 0.000 1.006 80 E HN -0.210 8.023 8.360 -0.060 0.091 0.417 81 Q N 2.780 122.598 119.800 0.029 0.000 2.292 81 Q HA 0.324 4.612 4.340 -0.086 0.000 0.270 81 Q C -1.651 174.492 176.000 0.240 0.000 1.024 81 Q CA -1.217 54.600 55.803 0.023 0.000 0.768 81 Q CB 3.657 32.418 28.738 0.039 0.000 1.250 81 Q HN 0.259 8.613 8.270 0.139 0.000 0.447 82 F N 3.556 123.489 119.950 -0.029 0.000 2.402 82 F HA 0.370 5.049 4.527 -0.044 -0.178 0.355 82 F C -0.057 175.721 175.800 -0.037 0.000 1.123 82 F CA -3.119 54.858 58.000 -0.039 0.000 1.021 82 F CB 0.541 39.517 39.000 -0.041 0.000 1.160 82 F HN 0.313 8.643 8.300 0.050 0.000 0.451 83 I N 3.892 124.537 120.570 0.126 0.000 2.582 83 I HA 0.257 4.456 4.170 0.049 0.000 0.292 83 I C -1.265 174.853 176.117 0.001 0.000 1.066 83 I CA -1.394 59.933 61.300 0.045 0.000 1.053 83 I CB 3.965 41.975 38.000 0.018 0.000 1.241 83 I HN 0.620 8.889 8.210 0.097 0.000 0.421 84 S N 5.135 120.827 115.700 -0.014 0.000 2.603 84 S HA 0.115 4.558 4.470 -0.044 0.000 0.268 84 S C -0.496 174.069 174.600 -0.057 0.000 1.317 84 S CA 0.564 58.742 58.200 -0.038 0.000 1.012 84 S CB 1.080 64.259 63.200 -0.034 0.000 0.926 84 S HN 0.388 8.695 8.310 -0.006 0.000 0.539 85 A N 2.520 125.302 122.820 -0.064 0.000 2.363 85 A HA 0.195 4.560 4.320 -0.101 -0.105 0.270 85 A C -0.556 176.979 177.584 -0.083 0.000 1.121 85 A CA -0.330 51.658 52.037 -0.080 0.000 0.800 85 A CB 0.622 19.585 19.000 -0.061 0.000 1.052 85 A HN -0.230 7.885 8.150 -0.060 0.000 0.493 86 S N 3.783 119.413 115.700 -0.117 0.000 2.371 86 S HA 0.025 4.451 4.470 -0.073 0.000 0.219 86 S C 0.420 174.977 174.600 -0.072 0.000 1.040 86 S CA 1.305 59.445 58.200 -0.101 0.000 0.958 86 S CB 0.839 63.952 63.200 -0.144 0.000 0.860 86 S HN 0.723 8.819 8.310 -0.166 0.114 0.487 87 K N 0.018 120.367 120.400 -0.085 0.000 2.509 87 K HA 0.284 4.622 4.320 0.029 0.000 0.266 87 K C -2.215 174.409 176.600 0.040 0.000 0.987 87 K CA -1.093 55.193 56.287 -0.001 0.000 0.868 87 K CB 3.514 36.026 32.500 0.021 0.000 1.421 87 K HN -0.811 7.345 8.250 -0.156 0.000 0.444 88 S N 0.497 116.279 115.700 0.137 0.000 2.532 88 S HA 0.729 5.490 4.470 0.176 -0.185 0.299 88 S C -0.962 173.768 174.600 0.217 0.000 1.105 88 S CA -0.484 57.841 58.200 0.207 0.000 1.018 88 S CB 2.687 66.080 63.200 0.322 0.000 1.021 88 S HN 0.114 8.518 8.310 0.157 0.000 0.483 89 I N 7.441 128.148 120.570 0.229 0.000 2.390 89 I HA 0.113 4.378 4.170 0.157 0.000 0.283 89 I C -1.578 174.683 176.117 0.239 0.000 1.016 89 I CA -0.801 60.628 61.300 0.215 0.000 1.151 89 I CB 1.520 39.660 38.000 0.233 0.000 1.293 89 I HN 1.012 9.268 8.210 0.256 0.107 0.458 90 V N 7.791 127.781 119.914 0.127 0.000 2.649 90 V HA -0.136 4.033 4.120 0.081 0.000 0.292 90 V C -0.330 175.846 176.094 0.136 0.000 1.055 90 V CA -0.704 61.637 62.300 0.069 0.000 1.023 90 V CB 0.953 32.724 31.823 -0.085 0.000 0.992 90 V HN 0.351 8.573 8.190 0.054 0.000 0.480 91 H N 8.620 127.672 119.070 -0.030 0.000 3.034 91 H HA -0.053 4.337 4.556 -0.276 0.000 0.324 91 H C -0.315 174.978 175.328 -0.059 0.000 1.015 91 H CA 0.242 56.147 56.048 -0.239 0.000 1.429 91 H CB 1.555 31.008 29.762 -0.516 0.000 1.429 91 H HN -0.256 8.068 8.280 0.073 0.000 0.585 92 P HA -0.127 4.298 4.420 0.008 0.000 0.218 92 P C -0.374 176.967 177.300 0.070 0.000 1.148 92 P CA 1.585 64.652 63.100 -0.054 0.000 0.822 92 P CB 0.332 31.975 31.700 -0.095 0.000 0.784 93 S N -3.774 112.070 115.700 0.240 0.000 2.622 93 S HA 0.020 4.549 4.470 0.098 0.000 0.236 93 S C -0.531 174.174 174.600 0.174 0.000 0.956 93 S CA 0.038 58.361 58.200 0.204 0.000 0.971 93 S CB 0.316 63.630 63.200 0.190 0.000 0.782 93 S HN -0.424 8.100 8.310 0.397 0.024 0.468 94 Y N 3.581 123.929 120.300 0.081 0.000 2.511 94 Y HA -0.303 4.408 4.550 -0.045 -0.188 0.332 94 Y C -0.984 174.909 175.900 -0.012 0.000 1.177 94 Y CA 0.727 58.826 58.100 -0.001 0.000 1.422 94 Y CB 0.897 39.361 38.460 0.006 0.000 1.271 94 Y HN -0.690 7.618 8.280 0.333 0.171 0.550 95 N N 7.069 125.390 118.700 -0.632 0.000 2.483 95 N HA 0.216 4.672 4.740 -0.473 0.000 0.267 95 N C -0.251 174.736 175.510 -0.872 0.000 0.998 95 N CA -1.305 51.400 53.050 -0.574 0.000 0.918 95 N CB 1.934 40.252 38.487 -0.281 0.000 1.215 95 N HN -0.261 7.851 8.380 -0.447 0.000 0.500 96 S N 6.819 122.015 115.700 -0.841 0.000 2.481 96 S HA -0.075 4.031 4.470 -0.607 0.000 0.231 96 S C 0.717 175.138 174.600 -0.298 0.000 0.996 96 S CA 2.389 60.265 58.200 -0.540 0.000 0.942 96 S CB -0.176 62.877 63.200 -0.244 0.000 0.768 96 S HN 0.627 8.542 8.310 -0.657 0.000 0.520 97 N N 1.883 120.415 118.700 -0.279 0.000 2.368 97 N HA 0.027 4.647 4.740 -0.201 0.000 0.176 97 N C 0.973 176.329 175.510 -0.257 0.000 1.021 97 N CA 2.225 55.142 53.050 -0.220 0.000 0.888 97 N CB 0.522 38.907 38.487 -0.170 0.000 0.995 97 N HN 0.339 8.770 8.380 -0.305 -0.234 0.437 98 T N -3.870 110.528 114.554 -0.260 0.000 2.990 98 T HA 0.080 4.243 4.350 -0.312 0.000 0.250 98 T C 0.107 174.632 174.700 -0.292 0.000 1.041 98 T CA -0.169 61.772 62.100 -0.264 0.000 1.010 98 T CB 1.653 70.421 68.868 -0.166 0.000 1.003 98 T HN -0.474 7.856 8.240 -0.263 -0.248 0.499 99 L N -3.391 117.694 121.223 -0.230 0.000 4.140 99 L HA -0.505 3.959 4.340 0.074 -0.080 0.406 99 L C -1.888 175.023 176.870 0.069 0.000 1.175 99 L CA 0.364 55.176 54.840 -0.046 0.000 0.939 99 L CB -2.632 39.344 42.059 -0.139 0.000 2.105 99 L HN -0.200 7.867 8.230 -0.272 0.000 0.803 100 N N -1.006 117.692 118.700 -0.003 0.000 2.518 100 N HA -0.163 4.633 4.740 0.093 0.000 0.266 100 N C 0.054 175.613 175.510 0.081 0.000 1.196 100 N CA 0.646 53.724 53.050 0.047 0.000 0.947 100 N CB 1.226 39.712 38.487 -0.002 0.000 1.098 100 N HN -0.715 7.566 8.380 -0.097 0.040 0.450 101 N N -0.989 117.749 118.700 0.064 0.000 2.756 101 N HA -0.469 4.185 4.740 -0.143 0.000 0.248 101 N C -1.402 174.082 175.510 -0.042 0.000 1.062 101 N CA 1.378 54.364 53.050 -0.106 0.000 0.696 101 N CB -1.554 36.764 38.487 -0.281 0.000 0.946 101 N HN 0.609 9.052 8.380 0.105 0.000 0.548 102 D N -1.053 119.365 120.400 0.030 0.000 2.608 102 D HA 0.045 4.681 4.640 -0.007 0.000 0.224 102 D C -1.684 174.520 176.300 -0.160 0.000 1.123 102 D CA -0.411 53.600 54.000 0.018 0.000 1.030 102 D CB -0.798 40.109 40.800 0.177 0.000 1.093 102 D HN -0.115 8.288 8.370 0.056 0.000 0.497 103 I N 1.620 122.033 120.570 -0.262 0.000 2.802 103 I HA 0.619 4.867 4.170 -0.138 -0.160 0.298 103 I C -3.008 173.065 176.117 -0.073 0.000 1.176 103 I CA -1.602 59.573 61.300 -0.208 0.000 1.025 103 I CB 4.211 41.956 38.000 -0.425 0.000 1.243 103 I HN -0.135 7.864 8.210 -0.278 0.045 0.424 104 M N 6.077 125.705 119.600 0.047 0.000 2.470 104 M HA 0.675 5.456 4.480 0.235 -0.160 0.285 104 M C -2.812 173.613 176.300 0.208 0.000 1.213 104 M CA -0.907 54.483 55.300 0.150 0.000 0.901 104 M CB 4.819 37.461 32.600 0.069 0.000 1.718 104 M HN 0.493 8.805 8.290 0.038 0.000 0.469 105 L N 3.118 124.502 121.223 0.269 0.000 2.329 105 L HA 0.800 5.460 4.340 0.258 -0.164 0.279 105 L C -1.265 175.797 176.870 0.321 0.000 1.014 105 L CA -1.441 53.576 54.840 0.294 0.000 0.814 105 L CB 2.981 45.190 42.059 0.250 0.000 1.257 105 L HN 0.491 8.905 8.230 0.305 0.000 0.424 106 I N 1.296 122.034 120.570 0.280 0.000 2.436 106 I HA 0.570 4.978 4.170 0.095 -0.182 0.289 106 I C -1.537 174.521 176.117 -0.097 0.000 1.010 106 I CA -1.397 59.962 61.300 0.099 0.000 1.098 106 I CB 2.963 40.991 38.000 0.047 0.000 1.266 106 I HN 0.589 8.985 8.210 0.309 0.000 0.434 107 K N 6.527 126.672 120.400 -0.425 0.000 2.130 107 K HA 0.609 4.203 4.320 -1.457 -0.148 0.268 107 K C -1.083 175.219 176.600 -0.495 0.000 0.983 107 K CA -1.677 53.992 56.287 -1.031 0.000 0.893 107 K CB 2.892 34.636 32.500 -1.260 0.000 1.066 107 K HN 0.642 8.734 8.250 -0.263 0.000 0.450 108 L N 3.665 124.629 121.223 -0.432 0.000 2.357 108 L HA 0.244 4.577 4.340 -0.172 -0.097 0.273 108 L C 1.725 178.478 176.870 -0.196 0.000 1.080 108 L CA -0.338 54.368 54.840 -0.224 0.000 0.803 108 L CB 0.598 42.569 42.059 -0.146 0.000 1.174 108 L HN 0.735 8.526 8.230 -0.563 0.101 0.443 109 K N 3.353 123.678 120.400 -0.125 0.000 2.057 109 K HA -0.330 3.925 4.320 -0.107 0.000 0.207 109 K C -0.547 176.004 176.600 -0.082 0.000 1.049 109 K CA 2.688 58.918 56.287 -0.095 0.000 0.931 109 K CB 0.385 32.849 32.500 -0.061 0.000 0.714 109 K HN 0.753 8.941 8.250 -0.103 0.000 0.440 110 S N -4.068 111.591 115.700 -0.069 0.000 2.595 110 S HA 0.110 4.548 4.470 -0.054 0.000 0.281 110 S C -1.611 172.960 174.600 -0.048 0.000 1.117 110 S CA -1.085 57.085 58.200 -0.050 0.000 0.873 110 S CB 2.633 65.815 63.200 -0.030 0.000 1.108 110 S HN -0.370 7.902 8.310 -0.064 0.000 0.477 111 A N -0.348 122.452 122.820 -0.034 0.000 2.445 111 A HA 0.079 4.548 4.320 -0.029 -0.167 0.242 111 A C -0.227 177.355 177.584 -0.003 0.000 1.075 111 A CA 0.075 52.101 52.037 -0.018 0.000 0.777 111 A CB 0.503 19.502 19.000 -0.001 0.000 1.013 111 A HN 0.222 8.356 8.150 -0.028 0.000 0.493 112 A N 1.116 123.941 122.820 0.009 0.000 2.287 112 A HA 0.173 4.574 4.320 0.014 -0.072 0.273 112 A C -0.506 177.090 177.584 0.021 0.000 1.091 112 A CA -1.249 50.799 52.037 0.019 0.000 0.817 112 A CB 1.439 20.459 19.000 0.033 0.000 1.069 112 A HN 0.394 8.439 8.150 0.012 0.112 0.492 113 S N -0.394 115.317 115.700 0.019 0.000 2.422 113 S HA 0.113 4.594 4.470 0.017 0.000 0.298 113 S C -0.568 174.047 174.600 0.025 0.000 1.118 113 S CA -0.650 57.560 58.200 0.017 0.000 1.083 113 S CB 0.514 63.719 63.200 0.009 0.000 0.971 113 S HN -0.012 8.661 8.310 0.018 -0.352 0.478 114 L N 5.742 126.983 121.223 0.030 0.000 2.399 114 L HA 0.276 4.774 4.340 0.042 -0.133 0.266 114 L C -0.374 176.515 176.870 0.031 0.000 1.114 114 L CA -0.261 54.602 54.840 0.037 0.000 0.804 114 L CB 0.776 42.862 42.059 0.044 0.000 1.146 114 L HN 0.199 8.446 8.230 0.029 0.000 0.451 115 N N 1.491 120.210 118.700 0.032 0.000 3.505 115 N HA 0.060 4.815 4.740 0.025 0.000 0.349 115 N C -1.549 173.978 175.510 0.030 0.000 1.491 115 N CA -0.548 52.517 53.050 0.026 0.000 0.859 115 N CB 1.029 39.527 38.487 0.019 0.000 2.068 115 N HN 0.526 8.824 8.380 0.039 0.105 0.500 116 S N -2.945 112.770 115.700 0.025 0.000 2.489 116 S HA -0.109 4.381 4.470 0.033 0.000 0.228 116 S C 0.510 175.125 174.600 0.024 0.000 0.995 116 S CA 2.242 60.458 58.200 0.027 0.000 0.934 116 S CB 0.179 63.391 63.200 0.021 0.000 0.771 116 S HN 0.014 8.336 8.310 0.020 0.000 0.522 117 R N -1.279 119.233 120.500 0.021 0.000 2.223 117 R HA 0.126 4.472 4.340 0.010 0.000 0.198 117 R C -1.216 175.097 176.300 0.022 0.000 0.984 117 R CA 0.281 56.391 56.100 0.017 0.000 1.018 117 R CB 1.035 31.345 30.300 0.017 0.000 0.945 117 R HN 0.067 8.680 8.270 0.021 -0.330 0.479 118 V N -1.766 118.168 119.914 0.033 0.000 2.409 118 V HA 0.283 4.618 4.120 0.046 -0.187 0.290 118 V C -2.173 173.958 176.094 0.061 0.000 1.017 118 V CA -1.012 61.317 62.300 0.047 0.000 0.841 118 V CB 2.443 34.294 31.823 0.047 0.000 1.003 118 V HN -0.698 7.694 8.190 0.033 -0.183 0.426 119 A N 6.738 129.610 122.820 0.086 0.000 2.587 119 A HA 0.599 4.969 4.320 0.084 0.000 0.293 119 A C -2.953 174.720 177.584 0.149 0.000 1.087 119 A CA -1.424 50.675 52.037 0.104 0.000 0.692 119 A CB 2.928 21.990 19.000 0.103 0.000 1.291 119 A HN 0.247 8.334 8.150 0.091 0.118 0.407 120 S N -1.428 114.346 115.700 0.124 0.000 2.669 120 S HA 0.603 5.322 4.470 0.160 -0.153 0.270 120 S C -0.508 174.153 174.600 0.100 0.000 1.225 120 S CA -1.057 57.218 58.200 0.125 0.000 0.991 120 S CB 1.564 64.816 63.200 0.088 0.000 0.987 120 S HN 0.017 8.385 8.310 0.097 0.000 0.552 121 I N 0.304 120.888 120.570 0.024 0.000 2.693 121 I HA 0.236 4.355 4.170 -0.084 0.000 0.303 121 I C -1.166 174.906 176.117 -0.076 0.000 1.025 121 I CA -1.547 59.678 61.300 -0.125 0.000 1.086 121 I CB 4.070 41.778 38.000 -0.487 0.000 1.268 121 I HN -0.098 8.134 8.210 0.037 0.000 0.440 122 S N 5.652 121.307 115.700 -0.076 0.000 2.601 122 S HA 0.254 4.710 4.470 -0.024 0.000 0.271 122 S C -0.638 173.935 174.600 -0.045 0.000 1.305 122 S CA -0.408 57.766 58.200 -0.043 0.000 1.022 122 S CB 0.819 64.000 63.200 -0.033 0.000 0.940 122 S HN 0.301 8.554 8.310 -0.094 0.000 0.525 123 L N 2.293 123.504 121.223 -0.021 0.000 2.439 123 L HA 0.156 4.494 4.340 -0.004 0.000 0.261 123 L C -1.301 175.565 176.870 -0.006 0.000 1.153 123 L CA -1.992 52.846 54.840 -0.004 0.000 0.808 123 L CB 0.072 42.138 42.059 0.010 0.000 1.126 123 L HN 0.208 8.429 8.230 -0.016 0.000 0.460 124 P HA 0.141 4.550 4.420 -0.019 0.000 0.278 124 P C -1.269 176.029 177.300 -0.003 0.000 1.258 124 P CA -0.787 62.309 63.100 -0.008 0.000 0.811 124 P CB 0.847 32.541 31.700 -0.009 0.000 1.063 128 c N 0.388 118.960 118.600 -0.047 0.000 2.480 128 c HA 0.082 4.612 4.570 -0.068 0.000 0.358 128 c C -0.060 173.968 174.090 -0.104 0.000 1.309 128 c CA -0.590 55.695 56.329 -0.072 0.000 2.465 128 c CB 0.421 42.893 42.510 -0.063 0.000 2.379 128 c HN -0.034 8.171 8.230 -0.041 0.000 0.642 129 A N 0.266 122.987 122.820 -0.166 0.000 2.281 129 A HA 0.129 4.374 4.320 -0.125 0.000 0.329 129 A C -1.251 176.227 177.584 -0.177 0.000 1.122 129 A CA -0.449 51.483 52.037 -0.175 0.000 0.850 129 A CB 1.463 20.323 19.000 -0.234 0.000 1.207 129 A HN 0.208 8.228 8.150 -0.218 0.000 0.495 133 G N 0.995 109.753 108.800 -0.071 0.000 2.299 133 G HA2 -0.310 3.615 3.960 -0.058 0.000 0.237 133 G HA3 -0.310 3.620 3.960 -0.050 0.000 0.237 133 G C 0.186 175.046 174.900 -0.067 0.000 1.027 133 G CA 0.087 45.151 45.100 -0.060 0.000 0.619 133 G HN 0.801 8.944 8.290 -0.074 0.102 0.513 134 T N 4.227 118.729 114.554 -0.085 0.000 2.934 134 T HA -0.199 4.112 4.350 -0.065 0.000 0.306 134 T C -0.918 173.735 174.700 -0.078 0.000 1.042 134 T CA 2.476 64.526 62.100 -0.084 0.000 1.145 134 T CB 0.717 69.516 68.868 -0.115 0.000 0.982 134 T HN -0.421 7.665 8.240 -0.098 0.095 0.544 135 Q N 5.642 125.411 119.800 -0.051 0.000 2.256 135 Q HA 0.209 4.639 4.340 -0.042 -0.116 0.254 135 Q C -0.894 175.088 176.000 -0.029 0.000 0.916 135 Q CA 0.326 56.110 55.803 -0.032 0.000 0.932 135 Q CB 1.549 30.284 28.738 -0.004 0.000 1.207 135 Q HN 0.184 8.429 8.270 -0.043 0.000 0.426 136 c N 3.297 121.881 118.600 -0.025 0.000 3.044 136 c HA 0.558 5.220 4.570 -0.015 -0.101 0.315 136 c C -1.894 172.205 174.090 0.015 0.000 1.320 136 c CA -1.523 54.794 56.329 -0.020 0.000 1.582 136 c CB 4.227 46.704 42.510 -0.054 0.000 2.039 136 c HN 0.910 9.014 8.230 -0.025 0.111 0.466 137 L N 0.839 122.079 121.223 0.028 0.000 2.313 137 L HA 0.908 5.473 4.340 0.063 -0.187 0.283 137 L C -2.174 174.716 176.870 0.035 0.000 1.013 137 L CA -1.401 53.471 54.840 0.053 0.000 0.816 137 L CB 3.169 45.279 42.059 0.085 0.000 1.236 137 L HN 0.616 8.859 8.230 0.021 0.000 0.419 138 I N 7.119 127.698 120.570 0.014 0.000 2.474 138 I HA 0.859 5.273 4.170 0.031 -0.225 0.294 138 I C -1.328 174.767 176.117 -0.036 0.000 1.005 138 I CA -1.549 59.758 61.300 0.011 0.000 1.113 138 I CB 2.519 40.535 38.000 0.025 0.000 1.289 138 I HN 0.985 9.205 8.210 0.017 0.000 0.436 139 S N 2.435 118.106 115.700 -0.050 0.000 2.618 139 S HA 1.044 5.550 4.470 -0.210 -0.162 0.277 139 S C -1.158 173.331 174.600 -0.184 0.000 1.138 139 S CA -1.815 56.281 58.200 -0.174 0.000 0.844 139 S CB 3.767 66.824 63.200 -0.237 0.000 1.127 139 S HN -0.204 8.108 8.310 0.004 0.000 0.474 140 G N -1.529 107.071 108.800 -0.333 0.000 2.321 140 G HA2 0.143 3.894 3.960 -0.349 0.000 0.298 140 G HA3 0.143 4.229 3.960 -0.041 -0.150 0.298 140 G C -2.465 172.235 174.900 -0.333 0.000 1.385 140 G CA 0.560 45.499 45.100 -0.268 0.000 0.856 140 G HN 0.186 8.216 8.290 -0.434 0.000 0.584 141 W N 0.927 122.184 121.300 -0.071 0.000 2.862 141 W HA 0.389 5.006 4.660 -0.071 0.000 0.426 141 W C -0.336 176.240 176.519 0.095 0.000 0.950 141 W CA -1.061 56.213 57.345 -0.118 0.000 2.150 141 W CB 0.237 29.413 29.460 -0.473 0.000 1.161 141 W HN 0.585 8.935 8.180 0.285 0.000 0.696 142 G N 0.689 109.681 108.800 0.318 0.000 2.588 142 G HA2 -0.019 4.328 3.960 0.629 0.000 0.281 142 G HA3 -0.019 4.300 3.960 0.314 -0.171 0.281 142 G C -1.032 173.999 174.900 0.218 0.000 1.236 142 G CA -0.885 44.454 45.100 0.398 0.000 0.969 142 G HN -0.528 8.018 8.290 0.196 -0.138 0.504 143 N N -0.549 118.175 118.700 0.039 0.000 2.353 143 N HA -0.316 4.052 4.740 -0.916 -0.178 0.248 143 N C 0.873 176.280 175.510 -0.172 0.000 1.240 143 N CA 1.062 53.858 53.050 -0.423 0.000 0.862 143 N CB 0.614 38.867 38.487 -0.389 0.000 1.086 143 N HN 0.171 8.719 8.380 0.281 0.000 0.453 144 T N 0.344 114.789 114.554 -0.182 0.000 3.054 144 T HA 0.215 4.656 4.350 -0.055 -0.124 0.255 144 T C 0.200 174.856 174.700 -0.074 0.000 1.035 144 T CA 0.296 62.344 62.100 -0.085 0.000 0.941 144 T CB 1.327 70.159 68.868 -0.060 0.000 1.026 144 T HN 0.313 8.392 8.240 -0.268 0.000 0.533 145 K N 2.084 122.425 120.400 -0.097 0.000 2.267 145 K HA 0.257 4.553 4.320 -0.040 0.000 0.246 145 K C -0.573 176.002 176.600 -0.041 0.000 0.954 145 K CA -1.104 55.147 56.287 -0.060 0.000 0.824 145 K CB 2.564 35.026 32.500 -0.064 0.000 1.167 145 K HN -0.620 7.768 8.250 -0.154 -0.230 0.431 146 S N 0.514 116.204 115.700 -0.017 0.000 2.492 146 S HA -0.045 4.429 4.470 0.007 0.000 0.218 146 S C 0.183 174.786 174.600 0.005 0.000 1.016 146 S CA 1.237 59.438 58.200 0.002 0.000 0.916 146 S CB 0.741 63.948 63.200 0.012 0.000 0.791 146 S HN 0.176 8.477 8.310 -0.015 0.000 0.513 147 S N 3.357 119.056 115.700 -0.002 0.000 2.269 147 S HA 0.156 4.632 4.470 0.011 0.000 0.194 147 S C -1.150 173.449 174.600 -0.003 0.000 1.547 147 S CA -0.293 57.909 58.200 0.004 0.000 1.186 147 S CB -0.282 62.922 63.200 0.006 0.000 1.069 147 S HN -0.401 7.871 8.310 -0.009 0.033 0.473 148 G N 1.356 110.154 108.800 -0.003 0.000 2.392 148 G HA2 -0.195 3.772 3.960 0.012 0.000 0.677 148 G HA3 -0.195 3.762 3.960 -0.006 0.000 0.677 148 G C -2.653 172.227 174.900 -0.034 0.000 1.334 148 G CA -0.806 44.291 45.100 -0.005 0.000 0.961 148 G HN -0.318 7.973 8.290 0.002 0.000 0.616 149 T N -3.633 110.904 114.554 -0.028 0.000 2.824 149 T HA 0.081 4.438 4.350 -0.251 -0.158 0.280 149 T C -1.283 173.327 174.700 -0.149 0.000 0.995 149 T CA -1.618 60.413 62.100 -0.117 0.000 1.009 149 T CB 1.733 70.666 68.868 0.110 0.000 0.955 149 T HN -0.178 8.068 8.240 0.010 0.000 0.452 150 S N 3.408 118.901 115.700 -0.345 0.000 2.680 150 S HA 0.190 4.642 4.470 -0.030 0.000 0.262 150 S C -2.191 172.231 174.600 -0.297 0.000 1.138 150 S CA -0.157 57.946 58.200 -0.163 0.000 1.072 150 S CB 0.998 64.138 63.200 -0.100 0.000 1.097 150 S HN 0.637 8.913 8.310 -0.638 -0.348 0.468 151 Y N 5.682 126.024 120.300 0.070 0.000 2.330 151 Y HA 0.279 4.889 4.550 0.100 0.000 0.336 151 Y C -0.805 175.147 175.900 0.086 0.000 1.036 151 Y CA -2.763 55.393 58.100 0.093 0.000 1.125 151 Y CB 1.149 39.676 38.460 0.113 0.000 1.194 151 Y HN 0.102 8.518 8.280 0.226 0.000 0.469 152 P HA 0.360 4.855 4.420 0.125 0.000 0.279 152 P C -1.566 175.856 177.300 0.204 0.000 1.276 152 P CA -0.804 62.396 63.100 0.166 0.000 0.801 152 P CB 2.048 33.821 31.700 0.122 0.000 1.127 153 D N -2.465 118.033 120.400 0.164 0.000 2.323 153 D HA -0.065 4.637 4.640 0.103 0.000 0.218 153 D C -1.247 175.195 176.300 0.237 0.000 0.973 153 D CA 1.293 55.378 54.000 0.141 0.000 0.890 153 D CB 0.956 41.811 40.800 0.091 0.000 1.011 153 D HN 0.397 8.846 8.370 0.131 0.000 0.499 154 V N -7.019 113.032 119.914 0.228 0.000 2.834 154 V HA 0.700 5.318 4.120 0.381 -0.269 0.313 154 V C -0.501 175.659 176.094 0.110 0.000 1.060 154 V CA -2.505 59.943 62.300 0.246 0.000 0.989 154 V CB 2.015 33.904 31.823 0.110 0.000 1.041 154 V HN -0.949 7.336 8.190 0.158 0.000 0.459 155 L N 2.357 123.520 121.223 -0.100 0.000 2.499 155 L HA -0.076 3.441 4.340 -1.372 0.000 0.273 155 L C -0.570 176.044 176.870 -0.427 0.000 1.195 155 L CA 0.948 55.368 54.840 -0.701 0.000 0.882 155 L CB 0.370 42.000 42.059 -0.715 0.000 1.133 155 L HN -0.212 8.246 8.230 0.105 -0.164 0.483 156 K N 5.771 125.900 120.400 -0.451 0.000 2.208 156 K HA 0.659 4.939 4.320 -0.326 -0.155 0.247 156 K C -1.187 175.162 176.600 -0.418 0.000 0.953 156 K CA -2.510 53.569 56.287 -0.346 0.000 0.837 156 K CB 2.586 34.949 32.500 -0.228 0.000 1.131 156 K HN -0.087 7.823 8.250 -0.566 0.000 0.431 157 c N -0.639 117.616 118.600 -0.576 0.000 2.707 157 c HA 0.961 5.471 4.570 -0.394 -0.177 0.313 157 c C -1.721 172.008 174.090 -0.603 0.000 1.209 157 c CA -0.782 55.153 56.329 -0.658 0.000 1.635 157 c CB 3.547 45.491 42.510 -0.944 0.000 2.206 157 c HN 0.741 8.567 8.230 -0.673 0.000 0.485 158 L N 0.249 121.331 121.223 -0.235 0.000 2.513 158 L HA 0.370 4.775 4.340 0.109 0.000 0.261 158 L C -2.532 174.414 176.870 0.128 0.000 0.945 158 L CA 0.194 55.047 54.840 0.022 0.000 0.848 158 L CB 4.504 46.592 42.059 0.048 0.000 1.334 158 L HN 0.765 8.891 8.230 -0.175 0.000 0.407 159 K N 5.680 126.217 120.400 0.229 0.000 2.213 159 K HA 0.849 5.467 4.320 0.137 -0.216 0.270 159 K C -0.971 175.768 176.600 0.232 0.000 1.002 159 K CA -1.461 54.942 56.287 0.192 0.000 0.868 159 K CB 1.116 33.731 32.500 0.192 0.000 1.093 159 K HN 0.330 8.750 8.250 0.282 0.000 0.454 160 A N 4.442 127.337 122.820 0.125 0.000 2.515 160 A HA 0.674 5.018 4.320 0.041 0.000 0.298 160 A C -3.366 174.157 177.584 -0.101 0.000 1.059 160 A CA -2.899 49.148 52.037 0.017 0.000 0.698 160 A CB 3.129 22.141 19.000 0.020 0.000 1.289 160 A HN 0.948 9.137 8.150 0.066 0.000 0.404 161 P HA 0.724 5.293 4.420 -0.102 -0.211 0.284 161 P C -0.973 176.252 177.300 -0.124 0.000 1.258 161 P CA -1.409 61.601 63.100 -0.149 0.000 0.824 161 P CB 1.478 33.087 31.700 -0.152 0.000 1.038 162 I N 0.607 121.119 120.570 -0.097 0.000 2.529 162 I HA -0.095 4.210 4.170 0.047 -0.107 0.284 162 I C 0.044 176.138 176.117 -0.038 0.000 1.082 162 I CA 0.746 62.011 61.300 -0.059 0.000 1.406 162 I CB 0.281 38.159 38.000 -0.204 0.000 1.405 162 I HN 0.157 8.300 8.210 -0.111 0.000 0.548 163 L N 6.180 127.418 121.223 0.024 0.000 2.431 163 L HA 0.286 4.611 4.340 -0.026 0.000 0.260 163 L C -0.083 176.798 176.870 0.017 0.000 1.098 163 L CA -1.080 53.765 54.840 0.007 0.000 0.800 163 L CB 0.780 42.853 42.059 0.024 0.000 1.210 163 L HN 0.336 8.519 8.230 0.103 0.110 0.465 164 S N -1.727 113.978 115.700 0.007 0.000 2.603 164 S HA -0.067 4.404 4.470 0.001 0.000 0.268 164 S C 0.494 175.113 174.600 0.032 0.000 1.317 164 S CA -0.952 57.254 58.200 0.010 0.000 1.012 164 S CB 1.913 65.115 63.200 0.002 0.000 0.926 164 S HN -0.146 8.164 8.310 0.000 0.000 0.539 165 D N 1.698 122.118 120.400 0.033 0.000 2.144 165 D HA -0.246 4.436 4.640 0.071 0.000 0.199 165 D C 1.698 178.024 176.300 0.044 0.000 0.984 165 D CA 3.303 57.332 54.000 0.050 0.000 0.834 165 D CB -0.267 40.559 40.800 0.043 0.000 0.955 165 D HN 0.555 8.938 8.370 0.021 0.000 0.465 166 S N -1.311 114.406 115.700 0.029 0.000 2.383 166 S HA -0.305 4.182 4.470 0.029 0.000 0.227 166 S C 2.170 176.784 174.600 0.022 0.000 1.026 166 S CA 3.550 61.764 58.200 0.024 0.000 0.981 166 S CB -0.252 62.957 63.200 0.014 0.000 0.818 166 S HN 0.009 8.332 8.310 0.022 0.000 0.472 167 S N 3.494 119.205 115.700 0.019 0.000 2.383 167 S HA -0.228 4.243 4.470 0.000 0.000 0.227 167 S C 1.827 176.438 174.600 0.019 0.000 1.026 167 S CA 3.977 62.182 58.200 0.010 0.000 0.981 167 S CB -0.149 63.053 63.200 0.005 0.000 0.818 167 S HN -0.530 7.791 8.310 0.019 0.000 0.472 168 c N 3.573 122.203 118.600 0.050 0.000 2.436 168 c HA -0.317 4.310 4.570 0.095 0.000 0.277 168 c C 1.719 175.874 174.090 0.109 0.000 1.241 168 c CA 2.929 59.313 56.329 0.093 0.000 1.721 168 c CB -1.673 40.905 42.510 0.114 0.000 2.043 168 c HN -0.102 8.158 8.230 0.051 0.000 0.472 169 K N -1.522 118.933 120.400 0.091 0.000 2.211 169 K HA -0.303 4.100 4.320 0.138 0.000 0.203 169 K C 2.371 179.007 176.600 0.059 0.000 1.050 169 K CA 2.930 59.273 56.287 0.094 0.000 0.945 169 K CB -0.312 32.232 32.500 0.074 0.000 0.732 169 K HN 0.118 8.414 8.250 0.077 0.000 0.451 170 S N -1.269 114.446 115.700 0.024 0.000 2.414 170 S HA -0.153 4.322 4.470 0.008 0.000 0.227 170 S C 1.272 175.844 174.600 -0.046 0.000 1.022 170 S CA 2.395 60.593 58.200 -0.003 0.000 0.958 170 S CB -0.050 63.144 63.200 -0.010 0.000 0.797 170 S HN -0.309 7.893 8.310 0.025 0.122 0.493 171 A N 0.143 122.907 122.820 -0.093 0.000 1.929 171 A HA -0.108 4.057 4.320 -0.258 0.000 0.216 171 A C -0.177 177.144 177.584 -0.439 0.000 1.176 171 A CA 2.052 53.908 52.037 -0.301 0.000 0.628 171 A CB 0.846 19.610 19.000 -0.393 0.000 0.816 171 A HN -0.470 7.539 8.150 -0.046 0.114 0.444 172 Y N -5.289 115.045 120.300 0.056 0.000 2.638 172 Y HA 0.466 5.088 4.550 0.119 0.000 0.367 172 Y C -2.315 173.646 175.900 0.100 0.000 1.001 172 Y CA -3.550 54.617 58.100 0.112 0.000 1.133 172 Y CB -0.147 38.418 38.460 0.175 0.000 1.199 172 Y HN -0.376 7.949 8.280 0.075 0.000 0.642 173 P HA -0.112 4.490 4.420 0.105 -0.120 0.262 173 P C 0.945 178.317 177.300 0.121 0.000 1.182 173 P CA 1.145 64.312 63.100 0.113 0.000 0.761 173 P CB 0.068 31.807 31.700 0.065 0.000 0.795 174 G N 4.000 112.861 108.800 0.102 0.000 2.189 174 G HA2 -0.369 3.630 3.960 0.065 0.000 0.267 174 G HA3 -0.369 3.628 3.960 0.062 0.000 0.267 174 G C 0.183 175.140 174.900 0.094 0.000 0.975 174 G CA 0.677 45.824 45.100 0.079 0.000 0.644 174 G HN 0.571 8.918 8.290 0.095 0.000 0.537 175 Q N -1.922 117.973 119.800 0.157 0.000 2.194 175 Q HA 0.068 4.454 4.340 0.077 0.000 0.214 175 Q C -0.848 175.296 176.000 0.240 0.000 0.838 175 Q CA -0.472 55.433 55.803 0.169 0.000 0.972 175 Q CB 1.091 29.971 28.738 0.237 0.000 1.131 175 Q HN -0.284 8.027 8.270 0.200 0.079 0.498 176 I N -0.267 120.426 120.570 0.204 0.000 2.354 176 I HA 0.135 4.445 4.170 0.234 0.000 0.292 176 I C -0.484 175.709 176.117 0.127 0.000 0.989 176 I CA -2.347 59.065 61.300 0.186 0.000 1.188 176 I CB -0.017 38.082 38.000 0.165 0.000 1.342 176 I HN -0.364 7.950 8.210 0.173 0.000 0.457 177 T N 2.053 116.679 114.554 0.120 0.000 2.922 177 T HA 0.393 4.784 4.350 0.067 0.000 0.281 177 T C 0.658 175.406 174.700 0.081 0.000 1.005 177 T CA -2.085 60.064 62.100 0.082 0.000 0.982 177 T CB 2.276 71.186 68.868 0.070 0.000 1.158 177 T HN -0.385 7.942 8.240 0.145 0.000 0.566 178 S N -2.188 113.545 115.700 0.056 0.000 2.607 178 S HA -0.114 4.395 4.470 0.064 0.000 0.224 178 S C 0.044 174.679 174.600 0.059 0.000 0.969 178 S CA 1.462 59.692 58.200 0.050 0.000 0.927 178 S CB -0.246 62.965 63.200 0.018 0.000 0.772 178 S HN 0.229 8.563 8.310 0.040 0.000 0.533 179 N N 0.351 119.101 118.700 0.084 0.000 2.238 179 N HA 0.220 5.014 4.740 0.089 0.000 0.222 179 N C -1.801 173.822 175.510 0.189 0.000 1.133 179 N CA -0.423 52.704 53.050 0.129 0.000 0.854 179 N CB 1.144 39.733 38.487 0.170 0.000 1.041 179 N HN -0.554 7.788 8.380 0.087 0.090 0.510 180 M N -0.965 118.732 119.600 0.162 0.000 2.550 180 M HA 0.817 5.558 4.480 0.080 -0.213 0.292 180 M C -2.175 174.233 176.300 0.179 0.000 1.221 180 M CA -0.344 55.026 55.300 0.117 0.000 0.873 180 M CB 5.034 37.679 32.600 0.075 0.000 1.727 180 M HN -0.837 7.455 8.290 0.144 0.085 0.459 181 F N -5.587 114.404 119.950 0.069 0.000 2.645 181 F HA 0.622 5.176 4.527 0.044 0.000 0.310 181 F C -2.600 173.249 175.800 0.082 0.000 1.102 181 F CA -2.001 56.036 58.000 0.062 0.000 0.952 181 F CB 2.412 41.444 39.000 0.054 0.000 1.326 181 F HN 0.106 8.242 8.300 -0.272 0.000 0.456 182 c N 0.005 118.776 118.600 0.285 0.000 2.391 182 c HA 1.002 5.832 4.570 0.092 -0.205 0.339 182 c C -0.972 173.315 174.090 0.328 0.000 1.205 182 c CA -0.860 55.587 56.329 0.197 0.000 1.937 182 c CB 2.608 45.197 42.510 0.133 0.000 2.341 182 c HN 0.842 9.266 8.230 0.324 0.000 0.516 183 A N 2.728 125.718 122.820 0.283 0.000 2.476 183 A HA 0.641 5.154 4.320 0.081 -0.144 0.280 183 A C -2.296 175.340 177.584 0.086 0.000 1.081 183 A CA -0.345 51.777 52.037 0.142 0.000 0.753 183 A CB 2.719 21.735 19.000 0.025 0.000 1.248 183 A HN 0.410 8.753 8.150 0.322 0.000 0.424 184 Y N 2.981 123.315 120.300 0.057 0.000 2.404 184 Y HA 0.059 4.629 4.550 0.034 0.000 0.344 184 Y C 0.954 176.871 175.900 0.028 0.000 0.995 184 Y CA -0.174 57.948 58.100 0.038 0.000 1.201 184 Y CB 0.296 38.777 38.460 0.035 0.000 1.151 184 Y HN 0.170 8.596 8.280 0.244 0.000 0.517 185 L N 3.966 125.255 121.223 0.109 0.000 2.362 185 L HA -0.296 4.072 4.340 0.048 0.000 0.219 185 L C 1.000 177.914 176.870 0.074 0.000 1.134 185 L CA 2.107 56.985 54.840 0.063 0.000 0.807 185 L CB -0.414 41.661 42.059 0.026 0.000 0.927 185 L HN 0.529 8.803 8.230 0.073 0.000 0.447 186 E N -2.043 118.222 120.200 0.109 0.000 2.427 186 E HA -0.098 4.282 4.350 0.050 0.000 0.196 186 E C 0.814 177.454 176.600 0.067 0.000 1.028 186 E CA 0.115 56.560 56.400 0.074 0.000 0.864 186 E CB -0.456 29.285 29.700 0.070 0.000 0.813 186 E HN 0.067 8.476 8.360 0.161 0.048 0.514 187 G N 1.008 109.866 108.800 0.096 0.000 3.292 187 G HA2 -0.376 3.638 3.960 0.090 0.000 0.636 187 G HA3 -0.376 3.613 3.960 0.049 0.000 0.636 187 G C -0.836 174.088 174.900 0.039 0.000 1.069 187 G CA -0.115 45.028 45.100 0.071 0.000 0.890 187 G HN -0.420 7.787 8.290 0.147 0.171 0.427 188 K N 1.271 121.662 120.400 -0.015 0.000 6.999 188 K HA -0.605 3.947 4.320 -0.007 -0.236 0.712 188 K C -1.421 175.268 176.600 0.148 0.000 2.465 188 K CA 0.491 56.777 56.287 -0.002 0.000 1.780 188 K CB -0.048 32.319 32.500 -0.221 0.000 1.897 188 K HN 0.234 8.502 8.250 0.030 0.000 0.299 189 D N 0.489 120.965 120.400 0.127 0.000 2.725 189 D HA 0.315 5.086 4.640 0.218 0.000 0.292 189 D C -1.855 174.520 176.300 0.126 0.000 1.288 189 D CA -0.642 53.452 54.000 0.158 0.000 0.784 189 D CB 4.468 45.344 40.800 0.126 0.000 1.308 189 D HN 0.078 8.497 8.370 0.082 0.000 0.429 190 S N -1.591 114.196 115.700 0.146 0.000 2.707 190 S HA 0.269 4.800 4.470 0.102 0.000 0.276 190 S C -1.375 173.277 174.600 0.087 0.000 1.179 190 S CA -0.402 57.873 58.200 0.125 0.000 0.992 190 S CB 1.667 64.976 63.200 0.181 0.000 1.030 190 S HN 0.257 8.673 8.310 0.176 0.000 0.554 191 c N -1.820 116.836 118.600 0.093 0.000 3.293 191 c HA 0.257 4.877 4.570 0.082 0.000 0.362 191 c C -1.503 172.676 174.090 0.149 0.000 1.539 191 c CA -0.660 55.726 56.329 0.096 0.000 1.201 191 c CB 2.918 45.467 42.510 0.065 0.000 1.770 191 c HN 0.307 8.901 8.230 0.108 -0.299 0.440 192 Q N 1.696 121.600 119.800 0.174 0.000 2.304 192 Q HA -0.375 4.101 4.340 0.227 0.000 0.301 192 Q C 1.074 177.280 176.000 0.343 0.000 1.063 192 Q CA 2.224 58.175 55.803 0.246 0.000 0.947 192 Q CB 0.679 29.572 28.738 0.258 0.000 1.201 192 Q HN 0.499 8.852 8.270 0.140 0.000 0.389 193 G N 6.058 115.047 108.800 0.316 0.000 2.254 193 G HA2 -0.436 3.832 3.960 0.257 0.000 0.225 193 G HA3 -0.436 3.835 3.960 0.518 0.000 0.225 193 G C 0.600 175.718 174.900 0.363 0.000 1.003 193 G CA 1.056 46.378 45.100 0.370 0.000 0.622 193 G HN 0.459 8.909 8.290 0.267 0.000 0.507 194 D N 2.187 122.748 120.400 0.267 0.000 2.327 194 D HA 0.077 4.854 4.640 0.230 0.000 0.205 194 D C 0.171 176.563 176.300 0.155 0.000 0.989 194 D CA 1.108 55.231 54.000 0.204 0.000 0.873 194 D CB 0.544 41.436 40.800 0.153 0.000 0.955 194 D HN 0.102 8.516 8.370 0.250 0.105 0.515 195 S N -0.798 114.990 115.700 0.147 0.000 2.599 195 S HA -0.509 4.178 4.470 0.107 -0.153 0.303 195 S C 0.996 175.586 174.600 -0.016 0.000 1.267 195 S CA 2.582 60.834 58.200 0.086 0.000 1.055 195 S CB -0.492 62.786 63.200 0.131 0.000 0.790 195 S HN -0.611 7.779 8.310 0.185 0.031 0.500 196 G N 4.373 113.151 108.800 -0.037 0.000 2.241 196 G HA2 -0.455 3.548 3.960 -0.058 0.000 0.244 196 G HA3 -0.455 3.575 3.960 -0.086 -0.122 0.244 196 G C 0.120 175.041 174.900 0.035 0.000 0.998 196 G CA 0.226 45.301 45.100 -0.043 0.000 0.621 196 G HN 0.672 8.956 8.290 -0.010 0.000 0.519 197 G N 1.142 109.988 108.800 0.078 0.000 2.616 197 G HA2 0.318 4.417 3.960 0.113 0.000 0.268 197 G HA3 0.318 4.347 3.960 0.115 0.000 0.268 197 G C -2.604 172.374 174.900 0.130 0.000 1.213 197 G CA -1.910 43.257 45.100 0.111 0.000 0.926 197 G HN -0.200 7.952 8.290 0.081 0.186 0.523 198 P HA 0.290 4.900 4.420 0.116 -0.120 0.282 198 P C -1.635 175.731 177.300 0.110 0.000 1.249 198 P CA -0.823 62.362 63.100 0.142 0.000 0.806 198 P CB 1.571 33.409 31.700 0.230 0.000 0.984 199 V N 2.657 122.613 119.914 0.069 0.000 2.380 199 V HA 0.273 4.548 4.120 -0.008 -0.160 0.286 199 V C -1.322 174.779 176.094 0.012 0.000 1.015 199 V CA -0.473 61.832 62.300 0.009 0.000 0.834 199 V CB 1.775 33.577 31.823 -0.035 0.000 1.009 199 V HN -0.253 7.980 8.190 0.071 0.000 0.428 200 V N 8.083 127.997 119.914 -0.000 0.000 2.417 200 V HA 0.643 4.908 4.120 -0.072 -0.188 0.291 200 V C -1.313 174.763 176.094 -0.031 0.000 1.024 200 V CA -1.285 60.988 62.300 -0.045 0.000 0.861 200 V CB 2.761 34.539 31.823 -0.076 0.000 0.985 200 V HN 0.657 8.862 8.190 0.026 0.000 0.436 201 c N 7.306 125.876 118.600 -0.051 0.000 2.547 201 c HA 0.584 5.133 4.570 -0.034 0.000 0.313 201 c C 0.272 174.334 174.090 -0.047 0.000 1.191 201 c CA -1.282 55.016 56.329 -0.051 0.000 1.474 201 c CB 2.594 45.054 42.510 -0.083 0.000 2.081 201 c HN 0.604 8.797 8.230 -0.062 0.000 0.476 202 S N 3.761 119.441 115.700 -0.033 0.000 3.521 202 S HA -0.450 4.010 4.470 -0.017 0.000 0.362 202 S C 0.400 174.984 174.600 -0.027 0.000 1.044 202 S CA 1.096 59.280 58.200 -0.027 0.000 1.091 202 S CB -1.976 61.203 63.200 -0.035 0.000 0.908 202 S HN 1.190 9.485 8.310 -0.025 0.000 0.473 203 G N -4.904 103.879 108.800 -0.028 0.000 2.153 203 G HA2 -0.511 3.427 3.960 -0.036 0.000 0.252 203 G HA3 -0.511 3.435 3.960 -0.022 0.000 0.252 203 G C -1.251 173.606 174.900 -0.072 0.000 0.994 203 G CA 0.356 45.433 45.100 -0.039 0.000 0.698 203 G HN 0.337 8.592 8.290 -0.021 0.023 0.521 210 Q N 1.169 120.985 119.800 0.027 0.000 2.396 210 Q HA 0.191 4.565 4.340 0.058 0.000 0.220 210 Q C -0.136 176.024 176.000 0.267 0.000 0.900 210 Q CA 0.288 56.132 55.803 0.069 0.000 0.925 210 Q CB 2.654 31.357 28.738 -0.057 0.000 1.065 210 Q HN 0.321 8.595 8.270 0.008 0.000 0.535 211 G N -3.267 105.708 108.800 0.290 0.000 2.680 211 G HA2 0.629 5.080 3.960 0.404 0.000 0.290 211 G HA3 0.629 4.832 3.960 0.405 0.000 0.290 211 G C -3.172 171.844 174.900 0.193 0.000 1.355 211 G CA -0.963 44.345 45.100 0.346 0.000 0.903 211 G HN -0.355 8.039 8.290 0.174 0.000 0.474 212 I N -1.223 119.456 120.570 0.181 0.000 2.466 212 I HA 0.551 5.025 4.170 0.144 -0.219 0.289 212 I C -0.432 175.802 176.117 0.194 0.000 1.026 212 I CA -1.347 60.041 61.300 0.146 0.000 1.078 212 I CB 4.231 42.276 38.000 0.076 0.000 1.249 212 I HN -0.435 7.948 8.210 0.162 -0.076 0.429 213 V N 7.332 127.374 119.914 0.214 0.000 2.509 213 V HA -0.247 3.918 4.120 0.076 0.000 0.297 213 V C -1.211 174.885 176.094 0.003 0.000 1.014 213 V CA 2.215 64.588 62.300 0.122 0.000 1.127 213 V CB -0.945 30.968 31.823 0.150 0.000 0.925 213 V HN 0.486 8.682 8.190 0.189 0.107 0.480 214 S N 7.104 122.716 115.700 -0.147 0.000 3.393 214 S HA 0.423 5.050 4.470 0.261 0.000 0.209 214 S C -1.064 173.649 174.600 0.189 0.000 0.897 214 S CA 0.942 59.204 58.200 0.103 0.000 0.825 214 S CB 2.083 65.336 63.200 0.088 0.000 0.898 214 S HN -0.084 7.927 8.310 -0.500 0.000 0.615 215 W N -3.522 117.634 121.300 -0.240 0.000 2.962 215 W HA 0.289 4.857 4.660 -0.154 0.000 0.405 215 W C -2.627 173.727 176.519 -0.275 0.000 1.121 215 W CA -0.804 56.407 57.345 -0.223 0.000 1.164 215 W CB 1.379 30.703 29.460 -0.227 0.000 1.489 215 W HN -0.065 7.835 8.180 -0.466 0.000 0.599 216 G N -3.326 105.542 108.800 0.112 0.000 2.338 216 G HA2 0.051 3.721 3.960 -0.483 0.000 0.295 216 G HA3 0.051 3.958 3.960 -0.087 0.000 0.295 216 G C -2.423 172.622 174.900 0.241 0.000 1.461 216 G CA 0.228 45.289 45.100 -0.065 0.000 0.817 216 G HN -0.058 8.500 8.290 0.447 0.000 0.556 220 c N 1.949 120.590 118.600 0.069 0.000 3.359 220 c HA 0.265 4.997 4.570 0.070 -0.119 0.194 220 c C -1.505 172.619 174.090 0.057 0.000 1.659 220 c CA -0.779 55.587 56.329 0.063 0.000 1.338 220 c CB -1.412 41.128 42.510 0.050 0.000 2.109 220 c HN 0.334 8.600 8.230 0.060 0.000 0.518 221 Q N -1.813 118.023 119.800 0.060 0.000 2.920 221 Q HA 0.124 4.487 4.340 0.038 0.000 0.255 221 Q C -1.426 174.599 176.000 0.041 0.000 0.976 221 Q CA -0.610 55.221 55.803 0.046 0.000 0.862 221 Q CB 2.202 30.969 28.738 0.048 0.000 1.952 221 Q HN 0.076 8.388 8.270 0.071 0.000 0.489 222 K N 3.837 124.255 120.400 0.029 0.000 2.436 222 K HA -0.263 4.191 4.320 0.035 -0.113 0.275 222 K C 0.247 176.847 176.600 0.001 0.000 0.999 222 K CA 0.739 57.039 56.287 0.022 0.000 0.980 222 K CB 0.033 32.542 32.500 0.016 0.000 0.919 222 K HN 0.268 8.533 8.250 0.025 0.000 0.484 223 N N 1.696 120.392 118.700 -0.007 0.000 2.732 223 N HA -0.485 4.228 4.740 -0.045 0.000 0.250 223 N C -1.573 173.868 175.510 -0.115 0.000 1.097 223 N CA 1.816 54.834 53.050 -0.053 0.000 0.812 223 N CB -0.393 38.058 38.487 -0.061 0.000 1.148 223 N HN 0.747 9.013 8.380 0.013 0.122 0.572 224 K N -1.852 118.510 120.400 -0.064 0.000 2.624 224 K HA 0.544 4.657 4.320 -0.345 0.000 0.200 224 K C -2.339 174.304 176.600 0.071 0.000 1.036 224 K CA -3.489 52.750 56.287 -0.079 0.000 1.029 224 K CB -0.094 32.425 32.500 0.031 0.000 1.317 224 K HN -0.721 7.466 8.250 -0.006 0.059 0.555 225 P HA -0.030 4.456 4.420 0.110 0.000 0.275 225 P C -0.583 176.777 177.300 0.101 0.000 1.266 225 P CA -0.484 62.685 63.100 0.115 0.000 0.793 225 P CB 1.201 32.954 31.700 0.088 0.000 1.074 226 G N -2.488 106.339 108.800 0.044 0.000 2.476 226 G HA2 0.338 4.203 3.960 -0.319 0.000 0.269 226 G HA3 0.338 4.178 3.960 -0.200 0.000 0.269 226 G C -1.840 172.780 174.900 -0.468 0.000 1.195 226 G CA -0.781 44.176 45.100 -0.238 0.000 0.843 226 G HN -0.381 7.991 8.290 0.138 0.000 0.545 227 V N 2.046 121.357 119.914 -1.004 0.000 2.495 227 V HA 0.636 4.550 4.120 -0.636 -0.175 0.298 227 V C -0.980 174.396 176.094 -1.196 0.000 1.031 227 V CA -1.019 60.640 62.300 -1.069 0.000 0.871 227 V CB 2.064 32.782 31.823 -1.842 0.000 0.988 227 V HN 0.537 8.082 8.190 -1.075 0.000 0.432 228 Y N 5.192 125.085 120.300 -0.678 0.000 2.524 228 Y HA 0.544 5.000 4.550 -0.375 -0.131 0.344 228 Y C 0.286 175.894 175.900 -0.487 0.000 1.012 228 Y CA -2.217 55.495 58.100 -0.646 0.000 1.068 228 Y CB 3.793 41.602 38.460 -1.085 0.000 1.249 228 Y HN 0.939 8.854 8.280 -0.607 0.000 0.468 229 T N 4.757 119.271 114.554 -0.067 0.000 2.851 229 T HA 0.023 4.581 4.350 0.096 -0.150 0.298 229 T C -0.655 174.166 174.700 0.201 0.000 0.977 229 T CA 1.530 63.674 62.100 0.073 0.000 1.126 229 T CB 0.515 69.410 68.868 0.046 0.000 0.916 229 T HN 0.320 8.551 8.240 -0.016 0.000 0.529 230 K N 8.352 128.958 120.400 0.342 0.000 2.127 230 K HA 0.073 4.809 4.320 0.693 0.000 0.261 230 K C 0.932 177.777 176.600 0.408 0.000 1.129 230 K CA -0.413 56.155 56.287 0.468 0.000 0.993 230 K CB -0.446 32.279 32.500 0.376 0.000 1.410 230 K HN 0.164 8.498 8.250 0.314 0.105 0.380 231 V N 5.743 125.881 119.914 0.373 0.000 2.469 231 V HA -0.536 3.880 4.120 0.494 0.000 0.251 231 V C 1.437 177.687 176.094 0.260 0.000 1.064 231 V CA 3.870 66.377 62.300 0.345 0.000 1.066 231 V CB -0.358 31.599 31.823 0.224 0.000 0.667 231 V HN 0.188 8.609 8.190 0.385 0.000 0.461 232 c N -3.072 115.619 118.600 0.151 0.000 2.410 232 c HA -0.237 4.376 4.570 0.072 0.000 0.281 232 c C 1.783 175.890 174.090 0.029 0.000 1.318 232 c CA 1.837 58.208 56.329 0.070 0.000 1.776 232 c CB -2.100 40.423 42.510 0.022 0.000 1.942 232 c HN 0.515 8.816 8.230 0.150 0.019 0.508 233 N N 0.863 119.543 118.700 -0.033 0.000 2.494 233 N HA -0.109 4.532 4.740 -0.164 0.000 0.182 233 N C 0.359 175.637 175.510 -0.386 0.000 1.076 233 N CA 1.283 54.177 53.050 -0.260 0.000 0.908 233 N CB -0.293 37.907 38.487 -0.477 0.000 0.967 233 N HN -0.367 8.003 8.380 0.038 0.033 0.449 234 Y N -4.746 115.621 120.300 0.112 0.000 2.557 234 Y HA 0.170 4.854 4.550 0.225 0.000 0.247 234 Y C -0.041 175.993 175.900 0.224 0.000 1.164 234 Y CA -0.598 57.625 58.100 0.205 0.000 1.218 234 Y CB 0.011 38.610 38.460 0.232 0.000 1.210 234 Y HN -0.106 8.099 8.280 0.187 0.187 0.529 235 V N 1.155 121.206 119.914 0.228 0.000 2.332 235 V HA -0.558 3.656 4.120 0.157 0.000 0.248 235 V C 1.349 177.514 176.094 0.119 0.000 1.055 235 V CA 4.915 67.305 62.300 0.150 0.000 1.038 235 V CB -0.568 31.305 31.823 0.084 0.000 0.651 235 V HN -0.880 7.406 8.190 0.160 0.000 0.450 236 S N -0.034 115.739 115.700 0.122 0.000 2.368 236 S HA -0.327 4.167 4.470 0.040 0.000 0.224 236 S C 1.859 176.532 174.600 0.121 0.000 1.029 236 S CA 2.981 61.235 58.200 0.089 0.000 0.988 236 S CB -0.440 62.810 63.200 0.083 0.000 0.838 236 S HN 0.152 8.534 8.310 0.119 0.000 0.462 237 W N 4.414 125.751 121.300 0.062 0.000 2.355 237 W HA -0.149 4.537 4.660 0.043 0.000 0.309 237 W C 1.525 178.056 176.519 0.020 0.000 1.206 237 W CA 3.134 60.525 57.345 0.077 0.000 1.284 237 W CB -0.105 29.485 29.460 0.216 0.000 1.145 237 W HN -0.374 8.039 8.180 0.388 0.000 0.502 238 I N -1.266 119.285 120.570 -0.033 0.000 2.127 238 I HA -0.759 3.013 4.170 -0.662 0.000 0.241 238 I C 1.890 177.777 176.117 -0.382 0.000 1.075 238 I CA 4.544 65.658 61.300 -0.310 0.000 1.334 238 I CB -0.257 37.725 38.000 -0.030 0.000 1.040 238 I HN 0.279 8.672 8.210 0.304 0.000 0.405 239 K N -0.994 119.280 120.400 -0.211 0.000 2.032 239 K HA -0.435 3.740 4.320 -0.242 0.000 0.209 239 K C 2.742 179.194 176.600 -0.247 0.000 1.048 239 K CA 3.774 59.937 56.287 -0.206 0.000 0.927 239 K CB -0.369 32.071 32.500 -0.101 0.000 0.712 239 K HN -0.332 7.859 8.250 -0.098 0.000 0.441 240 Q N -1.830 117.837 119.800 -0.222 0.000 2.050 240 Q HA -0.329 3.920 4.340 -0.152 0.000 0.202 240 Q C 2.655 178.466 176.000 -0.314 0.000 0.980 240 Q CA 3.538 59.218 55.803 -0.205 0.000 0.840 240 Q CB -0.006 28.659 28.738 -0.122 0.000 0.898 240 Q HN 0.231 8.396 8.270 -0.175 0.000 0.424 241 T N 2.946 117.187 114.554 -0.522 0.000 2.708 241 T HA -0.280 3.829 4.350 -0.403 0.000 0.266 241 T C 2.503 176.871 174.700 -0.553 0.000 1.037 241 T CA 4.931 66.680 62.100 -0.585 0.000 1.146 241 T CB -0.208 68.039 68.868 -1.035 0.000 0.865 241 T HN 0.110 7.964 8.240 -0.644 0.000 0.435 242 I N 0.935 121.066 120.570 -0.733 0.000 2.226 242 I HA -0.469 2.906 4.170 -1.324 0.000 0.245 242 I C 1.820 177.710 176.117 -0.377 0.000 1.100 242 I CA 3.698 64.456 61.300 -0.903 0.000 1.374 242 I CB -0.410 36.984 38.000 -1.010 0.000 1.057 242 I HN 0.044 7.822 8.210 -0.721 0.000 0.413 243 A N -0.236 122.416 122.820 -0.281 0.000 1.933 243 A HA -0.226 4.033 4.320 -0.102 0.000 0.218 243 A C 1.452 178.984 177.584 -0.087 0.000 1.175 243 A CA 2.834 54.786 52.037 -0.140 0.000 0.628 243 A CB -0.422 18.504 19.000 -0.124 0.000 0.814 243 A HN -0.080 7.864 8.150 -0.331 0.007 0.444 244 S N -4.398 111.239 115.700 -0.105 0.000 2.605 244 S HA 0.067 4.522 4.470 -0.026 0.000 0.217 244 S C -0.538 174.065 174.600 0.005 0.000 0.958 244 S CA 0.977 59.150 58.200 -0.045 0.000 0.919 244 S CB 0.712 63.877 63.200 -0.057 0.000 0.780 244 S HN -0.209 7.911 8.310 -0.169 0.089 0.507 245 N N 0.000 118.728 118.700 0.047 0.000 1.763 245 N HA 0.000 4.815 4.740 0.124 0.000 0.220 245 N CA 0.000 53.159 53.050 0.182 0.000 0.885 245 N CB 0.000 38.670 38.487 0.305 0.000 1.341 245 N HN 0.000 8.204 8.380 0.001 0.176 0.667