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 1ntp_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LIDSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYD SNTLNNDIML IKLKSAASLD 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 4.186 4.170 0.027 0.000 0.288 16 I C 0.000 176.107 176.117 -0.017 0.000 1.063 16 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 16 I CB 0.000 37.969 38.000 -0.052 0.000 1.214 17 V N 5.445 125.362 119.914 0.005 0.000 2.532 17 V HA 0.255 4.521 4.120 -0.019 -0.157 0.295 17 V C 1.133 177.230 176.094 0.005 0.000 1.041 17 V CA -2.015 60.284 62.300 -0.002 0.000 0.926 17 V CB 0.612 32.438 31.823 0.005 0.000 0.992 17 V HN 1.020 9.119 8.190 0.029 0.109 0.457 18 G N 6.475 115.272 108.800 -0.005 0.000 2.168 18 G HA2 -0.391 3.562 3.960 -0.012 0.000 0.257 18 G HA3 -0.391 3.730 3.960 -0.022 -0.175 0.257 18 G C -0.884 174.025 174.900 0.016 0.000 0.997 18 G CA 0.620 45.716 45.100 -0.008 0.000 0.708 18 G HN 0.741 9.025 8.290 -0.010 0.000 0.520 19 G N -1.571 107.242 108.800 0.021 0.000 2.642 19 G HA2 0.446 4.477 3.960 0.114 0.000 0.291 19 G HA3 0.446 4.420 3.960 -0.063 -0.052 0.291 19 G C -1.845 173.107 174.900 0.086 0.000 1.345 19 G CA -1.634 43.484 45.100 0.031 0.000 1.043 19 G HN -0.555 7.711 8.290 -0.002 0.022 0.528 20 Y N -3.279 117.001 120.300 -0.033 0.000 2.602 20 Y HA 0.414 4.946 4.550 -0.030 0.000 0.342 20 Y C -1.961 173.912 175.900 -0.046 0.000 1.029 20 Y CA -3.267 54.813 58.100 -0.034 0.000 1.080 20 Y CB 2.074 40.517 38.460 -0.029 0.000 1.284 20 Y HN 0.524 8.428 8.280 -0.443 0.110 0.485 21 T N 3.183 117.762 114.554 0.042 0.000 2.799 21 T HA -0.069 4.343 4.350 -0.129 -0.139 0.296 21 T C 0.374 175.063 174.700 -0.017 0.000 0.947 21 T CA 1.761 63.837 62.100 -0.039 0.000 1.141 21 T CB -0.145 68.734 68.868 0.018 0.000 0.891 21 T HN 0.231 8.556 8.240 0.142 0.000 0.533 22 c N 6.726 125.223 118.600 -0.172 0.000 2.429 22 c HA -0.147 4.374 4.570 -0.081 0.000 0.277 22 c C -0.036 174.062 174.090 0.012 0.000 1.262 22 c CA 1.300 57.556 56.329 -0.121 0.000 1.733 22 c CB -0.260 42.118 42.510 -0.219 0.000 2.010 22 c HN 0.367 8.457 8.230 -0.234 0.000 0.483 23 G N -2.690 106.099 108.800 -0.018 0.000 2.770 23 G HA2 -0.266 3.703 3.960 0.014 0.000 0.686 23 G HA3 -0.266 3.706 3.960 0.021 0.000 0.686 23 G C -2.061 172.829 174.900 -0.016 0.000 1.180 23 G CA -0.687 44.415 45.100 0.004 0.000 0.767 23 G HN -0.545 7.715 8.290 -0.050 0.000 0.646 24 A N 3.704 126.526 122.820 0.003 0.000 2.553 24 A HA -0.207 4.369 4.320 0.017 -0.246 0.258 24 A C -0.396 177.188 177.584 -0.001 0.000 1.069 24 A CA 1.445 53.488 52.037 0.010 0.000 0.767 24 A CB -0.147 18.868 19.000 0.024 0.000 0.997 24 A HN 0.307 8.465 8.150 0.012 0.000 0.512 25 N N -2.829 115.865 118.700 -0.010 0.000 2.800 25 N HA -0.372 4.354 4.740 -0.024 0.000 0.250 25 N C 0.475 175.958 175.510 -0.045 0.000 1.078 25 N CA 1.624 54.661 53.050 -0.021 0.000 0.804 25 N CB -1.053 37.434 38.487 0.000 0.000 1.135 25 N HN 0.345 8.721 8.380 -0.006 0.000 0.565 26 T N -2.898 111.622 114.554 -0.058 0.000 3.148 26 T HA -0.016 4.319 4.350 -0.025 0.000 0.253 26 T C -0.277 174.361 174.700 -0.103 0.000 1.134 26 T CA 1.970 64.039 62.100 -0.050 0.000 1.051 26 T CB 0.218 69.071 68.868 -0.025 0.000 0.959 26 T HN -0.301 7.865 8.240 -0.060 0.038 0.525 27 V N 3.265 123.053 119.914 -0.211 0.000 2.260 27 V HA 0.481 4.332 4.120 -0.449 0.000 0.263 27 V C -2.056 173.714 176.094 -0.541 0.000 1.036 27 V CA -3.439 58.581 62.300 -0.468 0.000 0.874 27 V CB 0.363 31.892 31.823 -0.490 0.000 1.116 27 V HN -0.559 7.469 8.190 -0.192 0.047 0.454 28 P HA 0.114 4.601 4.420 -0.102 -0.129 0.229 28 P C 0.292 177.537 177.300 -0.091 0.000 1.160 28 P CA 1.458 64.471 63.100 -0.145 0.000 0.777 28 P CB 0.100 31.794 31.700 -0.010 0.000 0.814 29 Y N -5.987 114.336 120.300 0.039 0.000 2.523 29 Y HA 0.420 5.136 4.550 0.055 -0.134 0.279 29 Y C -0.184 175.752 175.900 0.060 0.000 1.139 29 Y CA -2.868 55.261 58.100 0.048 0.000 1.296 29 Y CB -1.218 37.267 38.460 0.041 0.000 1.045 29 Y HN -0.423 7.339 8.280 -0.807 0.035 0.538 30 Q N 2.911 122.554 119.800 -0.261 0.000 2.311 30 Q HA 0.065 4.583 4.340 0.091 -0.123 0.272 30 Q C -0.686 175.392 176.000 0.132 0.000 1.012 30 Q CA 0.523 56.300 55.803 -0.043 0.000 0.891 30 Q CB 0.614 29.230 28.738 -0.204 0.000 1.201 30 Q HN -0.515 7.243 8.270 -0.616 0.143 0.391 31 V N 2.067 122.102 119.914 0.202 0.000 2.960 31 V HA 0.803 5.166 4.120 0.220 -0.111 0.315 31 V C -2.158 174.098 176.094 0.270 0.000 1.087 31 V CA -3.555 58.871 62.300 0.209 0.000 0.982 31 V CB 3.343 35.234 31.823 0.113 0.000 1.039 31 V HN 0.831 9.032 8.190 0.192 0.104 0.437 32 S N 3.205 118.984 115.700 0.130 0.000 2.451 32 S HA 0.570 5.271 4.470 0.168 -0.130 0.301 32 S C -0.968 173.542 174.600 -0.151 0.000 1.116 32 S CA -1.853 56.346 58.200 -0.002 0.000 1.093 32 S CB 1.165 64.174 63.200 -0.317 0.000 1.017 32 S HN 0.747 8.998 8.310 0.080 0.107 0.482 33 L N 8.245 129.261 121.223 -0.346 0.000 2.264 33 L HA 0.631 4.937 4.340 -0.296 -0.144 0.289 33 L C -1.093 175.442 176.870 -0.558 0.000 1.044 33 L CA -0.868 53.654 54.840 -0.530 0.000 0.807 33 L CB 0.516 42.039 42.059 -0.893 0.000 1.192 33 L HN 0.918 8.796 8.230 -0.401 0.111 0.425 38 G N 0.717 109.287 108.800 -0.384 0.000 2.234 38 G HA2 -0.265 3.617 3.960 -0.130 0.000 0.235 38 G HA3 -0.265 3.635 3.960 -0.101 0.000 0.235 38 G C -1.786 173.069 174.900 -0.075 0.000 0.997 38 G CA 0.497 45.478 45.100 -0.199 0.000 0.623 38 G HN 0.242 8.718 8.290 -0.306 -0.369 0.514 39 Y N -6.825 113.448 120.300 -0.046 0.000 2.624 39 Y HA 0.255 4.766 4.550 -0.064 0.000 0.334 39 Y C -2.365 173.558 175.900 0.038 0.000 1.155 39 Y CA -3.567 54.515 58.100 -0.031 0.000 1.046 39 Y CB 1.126 39.565 38.460 -0.035 0.000 1.316 39 Y HN -1.202 6.517 8.280 -0.902 0.020 0.457 40 H N 2.136 121.199 119.070 -0.011 0.000 2.803 40 H HA -0.078 4.568 4.556 -0.202 -0.212 0.330 40 H C -0.498 174.928 175.328 0.164 0.000 1.057 40 H CA 0.770 56.769 56.048 -0.081 0.000 1.458 40 H CB 0.298 29.955 29.762 -0.176 0.000 1.470 40 H HN 0.254 8.632 8.280 0.162 0.000 0.560 41 F N 1.143 120.753 119.950 -0.568 0.000 2.831 41 F HA 0.366 4.798 4.527 -0.158 0.000 0.334 41 F C -1.781 173.751 175.800 -0.447 0.000 1.071 41 F CA -0.572 57.206 58.000 -0.369 0.000 1.172 41 F CB 1.768 40.706 39.000 -0.103 0.000 1.054 41 F HN 0.302 8.123 8.300 -0.798 0.000 0.572 42 c N -1.445 116.391 118.600 -1.274 0.000 3.288 42 c HA 0.525 5.015 4.570 -0.285 -0.091 0.318 42 c C -1.415 172.414 174.090 -0.435 0.000 1.356 42 c CA -0.380 55.543 56.329 -0.677 0.000 1.359 42 c CB 4.147 46.315 42.510 -0.571 0.000 1.688 42 c HN -0.796 6.406 8.230 -1.713 0.000 0.467 43 G N -0.170 108.597 108.800 -0.054 0.000 2.491 43 G HA2 0.772 5.039 3.960 0.253 0.000 0.327 43 G HA3 0.772 4.868 3.960 0.228 0.000 0.327 43 G C -2.377 172.547 174.900 0.040 0.000 1.189 43 G CA -1.529 43.660 45.100 0.147 0.000 0.956 43 G HN 0.988 9.140 8.290 -0.041 0.112 0.491 44 G N -2.819 106.040 108.800 0.098 0.000 2.645 44 G HA2 0.553 4.833 3.960 0.065 0.000 0.292 44 G HA3 0.553 4.547 3.960 0.057 0.000 0.292 44 G C -2.548 172.437 174.900 0.143 0.000 1.415 44 G CA -0.269 44.881 45.100 0.083 0.000 0.785 44 G HN 0.352 8.646 8.290 0.164 0.094 0.483 45 S N -1.135 114.653 115.700 0.147 0.000 2.500 45 S HA 0.882 5.701 4.470 0.267 -0.189 0.301 45 S C -1.394 173.309 174.600 0.171 0.000 1.092 45 S CA -0.519 57.801 58.200 0.200 0.000 1.030 45 S CB 3.268 66.576 63.200 0.179 0.000 1.031 45 S HN 0.491 8.874 8.310 0.122 0.000 0.483 46 L N 4.761 126.104 121.223 0.199 0.000 2.313 46 L HA 0.325 4.876 4.340 0.146 -0.123 0.282 46 L C -0.488 176.469 176.870 0.144 0.000 1.092 46 L CA -0.328 54.609 54.840 0.162 0.000 0.831 46 L CB 1.616 43.767 42.059 0.154 0.000 1.159 46 L HN 0.713 8.987 8.230 0.265 0.115 0.442 47 I N -0.457 120.194 120.570 0.134 0.000 4.070 47 I HA 0.604 4.987 4.170 0.068 -0.172 0.328 47 I C -0.718 175.456 176.117 0.096 0.000 1.298 47 I CA -0.747 60.610 61.300 0.096 0.000 1.173 47 I CB 1.483 39.528 38.000 0.074 0.000 1.051 47 I HN 0.765 9.071 8.210 0.161 0.000 0.409 48 D N -2.512 117.970 120.400 0.136 0.000 2.779 48 D HA 0.123 4.820 4.640 0.096 0.000 0.331 48 D C 0.430 176.809 176.300 0.133 0.000 1.331 48 D CA -1.002 53.075 54.000 0.129 0.000 0.866 48 D CB 0.942 41.820 40.800 0.131 0.000 1.409 48 D HN -0.773 7.696 8.370 0.166 0.000 0.486 49 S N -3.438 112.327 115.700 0.109 0.000 2.420 49 S HA -0.300 4.207 4.470 0.062 0.000 0.237 49 S C 1.002 175.634 174.600 0.054 0.000 1.023 49 S CA 2.710 60.955 58.200 0.074 0.000 0.991 49 S CB -0.230 63.005 63.200 0.058 0.000 0.792 49 S HN 0.246 8.619 8.310 0.105 0.000 0.488 50 Q N -2.708 117.140 119.800 0.079 0.000 2.093 50 Q HA 0.366 4.644 4.340 -0.102 0.000 0.217 50 Q C -1.790 174.056 176.000 -0.256 0.000 0.785 50 Q CA -0.888 54.868 55.803 -0.079 0.000 1.038 50 Q CB 2.458 31.087 28.738 -0.181 0.000 1.190 50 Q HN 0.243 8.971 8.270 0.179 -0.351 0.468 51 W N -0.740 120.562 121.300 0.004 0.000 2.957 51 W HA 0.590 5.439 4.660 -0.006 -0.192 0.336 51 W C -1.968 174.559 176.519 0.012 0.000 1.087 51 W CA -0.691 56.652 57.345 -0.003 0.000 1.235 51 W CB 3.700 33.146 29.460 -0.024 0.000 1.399 51 W HN -0.458 7.916 8.180 0.232 -0.054 0.480 52 V N 2.301 122.366 119.914 0.252 0.000 2.680 52 V HA 0.853 5.226 4.120 0.165 -0.154 0.309 52 V C -2.105 174.101 176.094 0.186 0.000 1.052 52 V CA -2.021 60.382 62.300 0.171 0.000 0.908 52 V CB 4.339 36.219 31.823 0.096 0.000 1.001 52 V HN 1.166 9.396 8.190 0.243 0.105 0.431 53 V N 6.166 126.168 119.914 0.145 0.000 2.555 53 V HA 0.817 5.191 4.120 0.153 -0.162 0.302 53 V C -2.315 173.836 176.094 0.096 0.000 1.038 53 V CA -2.965 59.414 62.300 0.131 0.000 0.887 53 V CB 2.818 34.713 31.823 0.119 0.000 0.991 53 V HN 0.772 9.042 8.190 0.134 0.000 0.434 54 S N 8.328 124.075 115.700 0.078 0.000 3.144 54 S HA 0.743 5.434 4.470 0.033 -0.201 0.325 54 S C -2.086 172.511 174.600 -0.006 0.000 1.161 54 S CA -1.703 56.514 58.200 0.028 0.000 0.920 54 S CB 2.659 65.858 63.200 -0.002 0.000 1.340 54 S HN 1.003 9.262 8.310 0.100 0.111 0.681 55 A N 0.122 122.900 122.820 -0.070 0.000 2.292 55 A HA 0.595 5.043 4.320 -0.076 -0.173 0.319 55 A C 0.305 177.780 177.584 -0.182 0.000 1.206 55 A CA -1.302 50.658 52.037 -0.127 0.000 0.835 55 A CB 1.528 20.407 19.000 -0.201 0.000 1.164 55 A HN 0.473 8.567 8.150 -0.093 0.000 0.505 56 A N 5.258 127.918 122.820 -0.265 0.000 1.972 56 A HA -0.281 3.914 4.320 -0.209 0.000 0.219 56 A C 1.661 179.038 177.584 -0.345 0.000 1.169 56 A CA 3.025 54.798 52.037 -0.440 0.000 0.635 56 A CB -0.360 17.998 19.000 -1.070 0.000 0.810 56 A HN 0.713 8.716 8.150 -0.254 -0.005 0.446 57 H N -3.915 115.002 119.070 -0.255 0.000 2.561 57 H HA -0.114 4.513 4.556 0.118 0.000 0.278 57 H C 0.525 175.922 175.328 0.114 0.000 1.014 57 H CA 1.713 57.791 56.048 0.051 0.000 1.211 57 H CB -1.034 28.837 29.762 0.181 0.000 1.365 57 H HN 0.575 9.236 8.280 -0.136 -0.463 0.594 58 c N -1.683 116.807 118.600 -0.183 0.000 2.613 58 c HA -0.066 4.581 4.570 0.128 0.000 0.273 58 c C -0.810 173.381 174.090 0.168 0.000 1.304 58 c CA 0.417 56.758 56.329 0.021 0.000 1.702 58 c CB -2.212 40.256 42.510 -0.070 0.000 1.792 58 c HN -0.079 7.817 8.230 -0.289 0.161 0.588 59 Y N 2.428 122.744 120.300 0.026 0.000 2.511 59 Y HA -0.258 4.330 4.550 0.062 0.000 0.332 59 Y C -1.271 174.636 175.900 0.013 0.000 1.177 59 Y CA 1.708 59.829 58.100 0.034 0.000 1.422 59 Y CB 0.888 39.350 38.460 0.004 0.000 1.271 59 Y HN -0.367 7.873 8.280 0.204 0.162 0.550 60 K N 5.220 124.972 120.400 -1.081 0.000 2.597 60 K HA 0.127 3.838 4.320 -1.015 0.000 0.282 60 K C -2.059 174.018 176.600 -0.871 0.000 0.975 60 K CA -1.017 54.667 56.287 -1.006 0.000 0.867 60 K CB 2.325 34.470 32.500 -0.591 0.000 1.465 60 K HN -0.109 7.619 8.250 -0.870 0.000 0.417 61 S N -0.284 115.079 115.700 -0.561 0.000 2.565 61 S HA -0.003 4.335 4.470 -0.219 0.000 0.276 61 S C 1.204 175.681 174.600 -0.206 0.000 1.326 61 S CA 0.738 58.779 58.200 -0.264 0.000 1.045 61 S CB -0.186 62.947 63.200 -0.112 0.000 0.918 61 S HN 0.002 8.023 8.310 -0.481 0.000 0.505 62 G N 4.069 112.789 108.800 -0.133 0.000 2.204 62 G HA2 -0.242 3.663 3.960 -0.091 0.000 0.244 62 G HA3 -0.242 3.637 3.960 -0.134 0.000 0.244 62 G C -1.342 173.486 174.900 -0.121 0.000 1.062 62 G CA -0.178 44.849 45.100 -0.121 0.000 0.798 62 G HN 0.299 8.530 8.290 -0.098 0.000 0.496 63 I N -0.977 119.539 120.570 -0.090 0.000 2.440 63 I HA 0.114 4.265 4.170 -0.031 0.000 0.294 63 I C -1.549 174.530 176.117 -0.063 0.000 0.995 63 I CA -0.635 60.637 61.300 -0.047 0.000 1.306 63 I CB 1.021 39.023 38.000 0.002 0.000 1.407 63 I HN -0.416 7.743 8.210 -0.084 0.000 0.501 64 Q N 5.737 125.488 119.800 -0.081 0.000 3.018 64 Q HA 0.616 5.006 4.340 -0.072 -0.093 0.209 64 Q C -1.603 174.333 176.000 -0.107 0.000 1.036 64 Q CA -1.820 53.924 55.803 -0.098 0.000 0.886 64 Q CB 4.243 32.893 28.738 -0.147 0.000 2.058 64 Q HN 0.704 8.925 8.270 -0.081 0.000 0.452 65 R N -3.079 117.408 120.500 -0.021 0.000 3.262 65 R HA 0.388 5.034 4.340 0.263 -0.147 0.270 65 R C -1.401 174.963 176.300 0.107 0.000 1.147 65 R CA 0.113 56.258 56.100 0.076 0.000 1.189 65 R CB 2.351 32.591 30.300 -0.099 0.000 1.271 65 R HN 0.760 8.989 8.270 -0.069 0.000 0.447 70 E N 0.293 120.596 120.200 0.173 0.000 2.301 70 E HA 0.085 4.528 4.350 0.155 0.000 0.275 70 E C -1.709 175.096 176.600 0.341 0.000 1.030 70 E CA 0.248 56.777 56.400 0.214 0.000 0.852 70 E CB 1.178 30.944 29.700 0.110 0.000 1.060 70 E HN -0.634 7.821 8.360 0.199 0.024 0.401 71 D N 3.840 124.407 120.400 0.278 0.000 3.074 71 D HA 0.135 4.980 4.640 0.342 0.000 0.227 71 D C -0.043 176.480 176.300 0.372 0.000 1.553 71 D CA 0.636 54.818 54.000 0.303 0.000 1.347 71 D CB 2.357 43.240 40.800 0.139 0.000 1.021 71 D HN -0.253 8.349 8.370 0.186 -0.120 0.260 72 N N 1.460 120.275 118.700 0.191 0.000 2.411 72 N HA 0.056 5.028 4.740 0.197 -0.114 0.259 72 N C 1.641 177.175 175.510 0.042 0.000 1.103 72 N CA -0.184 52.948 53.050 0.136 0.000 0.954 72 N CB 0.355 38.893 38.487 0.085 0.000 1.085 72 N HN 0.034 8.902 8.380 0.137 -0.407 0.485 73 I N -0.254 120.259 120.570 -0.095 0.000 3.564 73 I HA 0.087 4.342 4.170 -0.212 -0.213 0.294 73 I C -0.248 175.786 176.117 -0.139 0.000 1.289 73 I CA 0.692 61.830 61.300 -0.270 0.000 1.325 73 I CB -0.835 36.756 38.000 -0.682 0.000 1.039 73 I HN 0.399 8.570 8.210 -0.065 0.000 0.474 74 N N -1.470 117.197 118.700 -0.055 0.000 2.184 74 N HA 0.162 4.883 4.740 -0.032 0.000 0.206 74 N C -1.168 174.349 175.510 0.012 0.000 1.151 74 N CA -0.142 52.895 53.050 -0.021 0.000 0.878 74 N CB 2.243 40.725 38.487 -0.008 0.000 1.014 74 N HN -0.192 8.454 8.380 -0.026 -0.282 0.512 75 V N -0.165 119.766 119.914 0.028 0.000 2.888 75 V HA 0.062 4.206 4.120 0.040 0.000 0.309 75 V C -1.403 174.726 176.094 0.058 0.000 1.114 75 V CA -1.358 60.966 62.300 0.041 0.000 0.940 75 V CB 3.667 35.511 31.823 0.035 0.000 1.021 75 V HN -0.785 7.420 8.190 0.026 0.000 0.426 76 V N 6.430 126.376 119.914 0.054 0.000 2.389 76 V HA -0.121 4.246 4.120 0.056 -0.213 0.264 76 V C 0.156 176.259 176.094 0.014 0.000 1.049 76 V CA 0.241 62.563 62.300 0.038 0.000 0.932 76 V CB -0.415 31.421 31.823 0.021 0.000 1.011 76 V HN 0.309 8.526 8.190 0.046 0.000 0.475 77 E N 8.925 129.133 120.200 0.012 0.000 2.473 77 E HA 0.114 4.470 4.350 0.010 0.000 0.204 77 E C 0.526 177.121 176.600 -0.008 0.000 0.994 77 E CA -0.099 56.307 56.400 0.010 0.000 0.945 77 E CB 0.658 30.374 29.700 0.027 0.000 0.990 77 E HN 0.984 9.970 8.360 0.017 -0.615 0.493 78 G N -1.332 107.449 108.800 -0.031 0.000 2.192 78 G HA2 -0.324 3.599 3.960 -0.063 0.000 0.193 78 G HA3 -0.324 3.618 3.960 -0.030 0.000 0.193 78 G C -0.238 174.633 174.900 -0.048 0.000 0.999 78 G CA 0.422 45.496 45.100 -0.044 0.000 0.659 78 G HN 0.272 9.015 8.290 -0.046 -0.481 0.503 79 N N -1.706 116.970 118.700 -0.039 0.000 2.177 79 N HA 0.000 4.714 4.740 -0.043 0.000 0.218 79 N C -0.734 174.745 175.510 -0.051 0.000 1.182 79 N CA -0.900 52.128 53.050 -0.036 0.000 0.882 79 N CB 0.907 39.389 38.487 -0.007 0.000 1.052 79 N HN 0.167 8.532 8.380 -0.025 0.000 0.519 80 E N -0.236 119.903 120.200 -0.101 0.000 2.390 80 E HA 0.272 4.848 4.350 -0.021 -0.239 0.261 80 E C -0.291 176.174 176.600 -0.226 0.000 1.076 80 E CA 0.344 56.657 56.400 -0.145 0.000 0.905 80 E CB 0.279 29.790 29.700 -0.316 0.000 0.984 80 E HN -0.348 7.944 8.360 -0.113 0.000 0.427 81 Q N 2.558 122.292 119.800 -0.110 0.000 2.310 81 Q HA 0.326 4.564 4.340 -0.171 0.000 0.270 81 Q C -1.482 174.583 176.000 0.108 0.000 1.025 81 Q CA -1.256 54.500 55.803 -0.079 0.000 0.772 81 Q CB 3.218 31.949 28.738 -0.011 0.000 1.253 81 Q HN 0.723 8.890 8.270 0.018 0.114 0.450 82 F N 4.259 124.191 119.950 -0.029 0.000 2.388 82 F HA 0.300 4.960 4.527 -0.043 -0.159 0.358 82 F C -0.206 175.571 175.800 -0.039 0.000 1.122 82 F CA -3.007 54.969 58.000 -0.039 0.000 1.056 82 F CB 0.248 39.222 39.000 -0.042 0.000 1.155 82 F HN 0.368 8.628 8.300 -0.065 0.000 0.461 83 I N 4.102 124.754 120.570 0.137 0.000 2.582 83 I HA 0.214 4.411 4.170 0.044 0.000 0.292 83 I C -1.298 174.822 176.117 0.005 0.000 1.066 83 I CA -1.505 59.824 61.300 0.048 0.000 1.053 83 I CB 4.179 42.191 38.000 0.019 0.000 1.241 83 I HN 0.980 9.159 8.210 0.127 0.108 0.421 84 S N 6.204 121.896 115.700 -0.013 0.000 2.580 84 S HA 0.133 4.577 4.470 -0.043 0.000 0.274 84 S C -0.217 174.348 174.600 -0.059 0.000 1.329 84 S CA 0.525 58.702 58.200 -0.038 0.000 1.036 84 S CB 0.880 64.058 63.200 -0.037 0.000 0.919 84 S HN 0.507 8.813 8.310 -0.006 0.000 0.515 85 A N 4.853 127.634 122.820 -0.066 0.000 2.409 85 A HA 0.430 4.865 4.320 -0.114 -0.184 0.267 85 A C -0.051 177.483 177.584 -0.083 0.000 1.127 85 A CA -0.267 51.719 52.037 -0.084 0.000 0.795 85 A CB 0.740 19.704 19.000 -0.061 0.000 1.061 85 A HN -0.171 7.944 8.150 -0.060 0.000 0.502 86 S N 3.009 118.640 115.700 -0.116 0.000 2.441 86 S HA 0.084 4.514 4.470 -0.067 0.000 0.224 86 S C 0.138 174.695 174.600 -0.071 0.000 1.043 86 S CA 0.882 59.026 58.200 -0.095 0.000 0.948 86 S CB 0.831 63.959 63.200 -0.120 0.000 0.810 86 S HN 0.585 8.686 8.310 -0.167 0.108 0.504 87 K N -0.211 120.132 120.400 -0.095 0.000 2.568 87 K HA 0.318 4.647 4.320 0.015 0.000 0.273 87 K C -2.628 173.975 176.600 0.005 0.000 0.951 87 K CA -0.055 56.218 56.287 -0.024 0.000 0.854 87 K CB 2.485 34.983 32.500 -0.003 0.000 1.424 87 K HN -0.767 7.384 8.250 -0.164 0.000 0.427 88 S N 1.228 116.988 115.700 0.101 0.000 2.513 88 S HA 0.973 5.728 4.470 0.164 -0.187 0.299 88 S C -0.549 174.170 174.600 0.198 0.000 1.087 88 S CA -0.674 57.633 58.200 0.180 0.000 1.012 88 S CB 2.040 65.410 63.200 0.283 0.000 1.044 88 S HN 0.090 8.472 8.310 0.120 0.000 0.485 89 I N 5.057 125.763 120.570 0.228 0.000 2.503 89 I HA 0.225 4.492 4.170 0.162 0.000 0.282 89 I C -1.521 174.758 176.117 0.271 0.000 1.059 89 I CA -0.186 61.249 61.300 0.225 0.000 1.081 89 I CB 3.297 41.445 38.000 0.247 0.000 1.210 89 I HN 0.996 9.261 8.210 0.253 0.097 0.450 90 V N 7.338 127.337 119.914 0.141 0.000 2.775 90 V HA -0.125 4.055 4.120 0.100 0.000 0.299 90 V C -0.257 175.909 176.094 0.121 0.000 1.062 90 V CA -0.745 61.602 62.300 0.078 0.000 1.063 90 V CB 0.590 32.355 31.823 -0.097 0.000 0.994 90 V HN 0.301 8.523 8.190 0.053 0.000 0.483 91 H N 8.472 127.499 119.070 -0.072 0.000 3.034 91 H HA -0.058 4.050 4.556 -0.746 0.000 0.324 91 H C -0.210 175.019 175.328 -0.166 0.000 1.015 91 H CA 0.526 56.340 56.048 -0.391 0.000 1.429 91 H CB 1.560 30.982 29.762 -0.567 0.000 1.429 91 H HN -0.179 8.121 8.280 0.033 0.000 0.585 92 P HA -0.186 4.181 4.420 -0.089 0.000 0.217 92 P C -0.599 176.681 177.300 -0.035 0.000 1.148 92 P CA 2.080 65.048 63.100 -0.221 0.000 0.834 92 P CB 0.173 31.720 31.700 -0.255 0.000 0.783 93 S N -3.636 112.125 115.700 0.102 0.000 2.602 93 S HA 0.135 4.651 4.470 0.076 0.000 0.240 93 S C -0.834 173.892 174.600 0.210 0.000 0.992 93 S CA -0.333 57.971 58.200 0.173 0.000 0.971 93 S CB 0.001 63.321 63.200 0.199 0.000 0.855 93 S HN -0.648 7.720 8.310 0.184 0.053 0.481 94 Y N 4.106 124.461 120.300 0.091 0.000 2.717 94 Y HA -0.397 4.405 4.550 0.003 -0.250 0.330 94 Y C -0.914 174.986 175.900 -0.001 0.000 1.217 94 Y CA 1.346 59.461 58.100 0.025 0.000 1.506 94 Y CB 0.725 39.194 38.460 0.017 0.000 1.268 94 Y HN -0.302 8.010 8.280 0.322 0.161 0.561 95 D N 8.051 128.101 120.400 -0.583 0.000 2.453 95 D HA 0.227 4.581 4.640 -0.477 0.000 0.238 95 D C -0.262 175.487 176.300 -0.919 0.000 1.088 95 D CA -1.594 52.046 54.000 -0.601 0.000 0.854 95 D CB 2.024 42.655 40.800 -0.281 0.000 1.076 95 D HN 0.276 8.436 8.370 -0.351 0.000 0.533 96 S N 5.623 120.748 115.700 -0.959 0.000 2.522 96 S HA -0.010 3.944 4.470 -0.860 0.000 0.227 96 S C 1.048 175.454 174.600 -0.322 0.000 0.986 96 S CA 1.600 59.397 58.200 -0.673 0.000 0.929 96 S CB -0.362 62.680 63.200 -0.264 0.000 0.769 96 S HN 0.590 8.470 8.310 -0.717 0.000 0.529 97 N N 2.074 120.601 118.700 -0.289 0.000 2.290 97 N HA 0.019 4.642 4.740 -0.195 0.000 0.179 97 N C 1.257 176.609 175.510 -0.263 0.000 1.016 97 N CA 2.270 55.186 53.050 -0.223 0.000 0.871 97 N CB 0.228 38.612 38.487 -0.172 0.000 0.987 97 N HN 0.465 8.987 8.380 -0.300 -0.322 0.431 98 T N -3.689 110.700 114.554 -0.275 0.000 3.040 98 T HA 0.053 4.198 4.350 -0.342 0.000 0.250 98 T C 0.577 175.068 174.700 -0.348 0.000 1.058 98 T CA -0.479 61.444 62.100 -0.295 0.000 0.988 98 T CB 1.336 70.087 68.868 -0.195 0.000 0.993 98 T HN -0.525 7.796 8.240 -0.273 -0.245 0.519 99 L N -2.061 118.986 121.223 -0.294 0.000 4.291 99 L HA -0.545 3.844 4.340 -0.031 -0.067 0.413 99 L C -1.876 175.009 176.870 0.024 0.000 1.162 99 L CA 0.742 55.504 54.840 -0.129 0.000 0.961 99 L CB -3.066 38.876 42.059 -0.195 0.000 2.095 99 L HN 0.116 8.151 8.230 -0.324 0.000 0.838 100 N N -0.919 117.765 118.700 -0.027 0.000 2.518 100 N HA -0.148 4.650 4.740 0.097 0.000 0.266 100 N C 0.087 175.661 175.510 0.106 0.000 1.196 100 N CA 0.633 53.712 53.050 0.050 0.000 0.947 100 N CB 1.158 39.650 38.487 0.007 0.000 1.098 100 N HN -0.743 7.529 8.380 -0.114 0.040 0.450 101 N N -0.834 117.928 118.700 0.103 0.000 2.740 101 N HA -0.489 4.198 4.740 -0.089 0.000 0.248 101 N C -1.350 174.159 175.510 -0.002 0.000 1.062 101 N CA 1.357 54.382 53.050 -0.041 0.000 0.704 101 N CB -1.711 36.682 38.487 -0.157 0.000 0.968 101 N HN 0.631 9.090 8.380 0.131 0.000 0.547 102 D N -0.861 119.588 120.400 0.083 0.000 2.545 102 D HA -0.022 4.616 4.640 -0.003 0.000 0.227 102 D C -1.630 174.594 176.300 -0.127 0.000 1.150 102 D CA 0.098 54.137 54.000 0.064 0.000 1.046 102 D CB -0.826 40.128 40.800 0.257 0.000 1.098 102 D HN -0.264 8.170 8.370 0.106 0.000 0.502 103 I N 2.489 122.915 120.570 -0.240 0.000 2.722 103 I HA 0.727 5.060 4.170 -0.107 -0.227 0.292 103 I C -3.060 173.040 176.117 -0.029 0.000 1.267 103 I CA -1.282 59.909 61.300 -0.182 0.000 1.036 103 I CB 3.580 41.341 38.000 -0.399 0.000 1.281 103 I HN -0.174 7.846 8.210 -0.261 0.033 0.423 104 M N 4.486 124.139 119.600 0.089 0.000 2.622 104 M HA 0.759 5.595 4.480 0.400 -0.116 0.276 104 M C -2.681 173.770 176.300 0.252 0.000 1.265 104 M CA -1.246 54.191 55.300 0.228 0.000 0.850 104 M CB 4.761 37.449 32.600 0.146 0.000 1.720 104 M HN 0.686 8.910 8.290 0.057 0.100 0.465 105 L N -0.457 120.941 121.223 0.292 0.000 2.346 105 L HA 0.939 5.622 4.340 0.255 -0.190 0.276 105 L C -1.179 175.876 176.870 0.308 0.000 1.006 105 L CA -1.456 53.553 54.840 0.281 0.000 0.817 105 L CB 3.499 45.675 42.059 0.196 0.000 1.272 105 L HN 0.754 9.083 8.230 0.345 0.108 0.421 106 I N 1.229 121.965 120.570 0.276 0.000 2.436 106 I HA 0.495 4.861 4.170 0.066 -0.157 0.289 106 I C -1.671 174.350 176.117 -0.161 0.000 1.010 106 I CA -1.291 60.059 61.300 0.083 0.000 1.098 106 I CB 2.864 40.892 38.000 0.046 0.000 1.266 106 I HN 1.174 9.465 8.210 0.311 0.106 0.434 107 K N 6.898 126.984 120.400 -0.523 0.000 2.130 107 K HA 0.766 4.474 4.320 -1.352 -0.199 0.268 107 K C -1.078 175.231 176.600 -0.485 0.000 0.983 107 K CA -1.894 53.780 56.287 -1.020 0.000 0.893 107 K CB 2.850 34.530 32.500 -1.367 0.000 1.066 107 K HN 1.013 8.956 8.250 -0.329 0.110 0.450 108 L N 5.266 126.221 121.223 -0.446 0.000 2.312 108 L HA 0.103 4.454 4.340 -0.177 -0.117 0.281 108 L C -0.079 176.669 176.870 -0.203 0.000 1.070 108 L CA -0.267 54.433 54.840 -0.234 0.000 0.805 108 L CB 0.376 42.342 42.059 -0.155 0.000 1.174 108 L HN 0.587 8.353 8.230 -0.593 0.108 0.434 109 K N 3.405 123.725 120.400 -0.133 0.000 2.113 109 K HA -0.310 3.947 4.320 -0.104 0.000 0.208 109 K C -0.504 176.049 176.600 -0.078 0.000 1.047 109 K CA 1.800 58.029 56.287 -0.096 0.000 0.928 109 K CB 0.423 32.885 32.500 -0.064 0.000 0.716 109 K HN 0.893 8.969 8.250 -0.112 0.107 0.446 110 S N -4.953 110.705 115.700 -0.069 0.000 2.564 110 S HA 0.077 4.518 4.470 -0.047 0.000 0.274 110 S C -1.905 172.667 174.600 -0.047 0.000 1.124 110 S CA -1.761 56.410 58.200 -0.048 0.000 0.869 110 S CB 2.933 66.115 63.200 -0.030 0.000 1.105 110 S HN -0.467 7.802 8.310 -0.068 0.000 0.472 111 A N 1.065 123.866 122.820 -0.031 0.000 2.477 111 A HA -0.071 4.367 4.320 -0.026 -0.134 0.246 111 A C -0.046 177.534 177.584 -0.006 0.000 1.078 111 A CA -0.307 51.720 52.037 -0.017 0.000 0.770 111 A CB 0.545 19.546 19.000 0.001 0.000 1.011 111 A HN 0.379 8.513 8.150 -0.025 0.000 0.494 112 A N 4.904 127.726 122.820 0.003 0.000 2.406 112 A HA -0.021 4.302 4.320 0.005 0.000 0.243 112 A C -0.681 176.911 177.584 0.013 0.000 1.082 112 A CA -0.104 51.940 52.037 0.011 0.000 0.786 112 A CB 1.051 20.067 19.000 0.026 0.000 1.029 112 A HN 0.632 8.671 8.150 0.005 0.114 0.495 113 S N 0.501 116.207 115.700 0.009 0.000 2.422 113 S HA 0.167 4.643 4.470 0.010 0.000 0.298 113 S C -1.134 173.476 174.600 0.016 0.000 1.118 113 S CA -0.001 58.204 58.200 0.008 0.000 1.083 113 S CB 0.078 63.277 63.200 -0.001 0.000 0.971 113 S HN 0.251 9.016 8.310 0.005 -0.452 0.478 114 L N 7.389 128.625 121.223 0.022 0.000 2.334 114 L HA 0.404 4.893 4.340 0.033 -0.129 0.277 114 L C -0.363 176.521 176.870 0.023 0.000 1.075 114 L CA -0.306 54.552 54.840 0.029 0.000 0.804 114 L CB 1.289 43.371 42.059 0.038 0.000 1.174 114 L HN 0.299 8.541 8.230 0.021 0.000 0.438 115 D N 1.703 122.118 120.400 0.025 0.000 3.057 115 D HA 0.212 4.863 4.640 0.019 0.000 0.328 115 D C 0.095 176.410 176.300 0.026 0.000 1.317 115 D CA -0.682 53.331 54.000 0.020 0.000 0.973 115 D CB 1.050 41.857 40.800 0.012 0.000 1.424 115 D HN 0.548 8.819 8.370 0.030 0.117 0.569 116 S N -3.329 112.384 115.700 0.021 0.000 2.428 116 S HA -0.150 4.337 4.470 0.029 0.000 0.230 116 S C 0.973 175.586 174.600 0.022 0.000 1.014 116 S CA 2.316 60.530 58.200 0.023 0.000 0.957 116 S CB -0.292 62.918 63.200 0.016 0.000 0.784 116 S HN 0.113 8.432 8.310 0.016 0.000 0.499 117 R N -1.578 118.932 120.500 0.017 0.000 2.282 117 R HA 0.273 4.616 4.340 0.005 0.000 0.195 117 R C -1.152 175.156 176.300 0.014 0.000 0.909 117 R CA 0.308 56.415 56.100 0.011 0.000 1.039 117 R CB 1.915 32.219 30.300 0.008 0.000 1.015 117 R HN -0.007 8.658 8.270 0.016 -0.385 0.513 118 V N -0.739 119.191 119.914 0.026 0.000 2.462 118 V HA 0.422 4.763 4.120 0.041 -0.197 0.288 118 V C -2.189 173.938 176.094 0.054 0.000 1.020 118 V CA -2.179 60.145 62.300 0.040 0.000 0.857 118 V CB 1.751 33.596 31.823 0.036 0.000 1.013 118 V HN -0.693 7.664 8.190 0.026 -0.151 0.431 119 A N 6.657 129.524 122.820 0.079 0.000 2.572 119 A HA 0.454 4.822 4.320 0.080 0.000 0.295 119 A C -3.046 174.627 177.584 0.148 0.000 1.072 119 A CA -1.260 50.837 52.037 0.100 0.000 0.691 119 A CB 3.033 22.093 19.000 0.099 0.000 1.291 119 A HN -0.019 8.077 8.150 0.087 0.106 0.404 120 S N -0.066 115.708 115.700 0.123 0.000 2.632 120 S HA 0.563 5.294 4.470 0.161 -0.164 0.271 120 S C -0.435 174.231 174.600 0.109 0.000 1.260 120 S CA -1.199 57.077 58.200 0.127 0.000 1.010 120 S CB 1.042 64.295 63.200 0.088 0.000 0.965 120 S HN -0.074 8.293 8.310 0.095 0.000 0.534 121 I N 0.643 121.243 120.570 0.050 0.000 2.525 121 I HA 0.299 4.409 4.170 -0.100 0.000 0.301 121 I C -1.428 174.647 176.117 -0.070 0.000 0.992 121 I CA -1.756 59.477 61.300 -0.112 0.000 1.162 121 I CB 3.799 41.527 38.000 -0.454 0.000 1.332 121 I HN 0.226 8.483 8.210 0.077 0.000 0.458 122 S N 6.674 122.326 115.700 -0.080 0.000 2.565 122 S HA 0.221 4.676 4.470 -0.025 0.000 0.274 122 S C -0.463 174.109 174.600 -0.046 0.000 1.309 122 S CA -0.860 57.312 58.200 -0.046 0.000 1.043 122 S CB 0.817 63.997 63.200 -0.033 0.000 0.939 122 S HN 0.252 8.502 8.310 -0.101 0.000 0.504 123 L N 5.675 126.885 121.223 -0.022 0.000 2.417 123 L HA 0.216 4.557 4.340 0.002 0.000 0.268 123 L C -1.185 175.681 176.870 -0.007 0.000 1.158 123 L CA -2.135 52.702 54.840 -0.005 0.000 0.819 123 L CB -0.095 41.969 42.059 0.007 0.000 1.112 123 L HN 0.322 8.542 8.230 -0.017 0.000 0.458 124 P HA 0.097 4.507 4.420 -0.016 0.000 0.274 124 P C -0.605 176.695 177.300 0.000 0.000 1.231 124 P CA -0.723 62.374 63.100 -0.004 0.000 0.790 124 P CB 0.330 32.029 31.700 -0.001 0.000 0.951 128 c N 1.852 120.429 118.600 -0.039 0.000 2.689 128 c HA -0.077 4.461 4.570 -0.054 0.000 0.409 128 c C 0.545 174.580 174.090 -0.092 0.000 1.293 128 c CA -1.043 55.249 56.329 -0.062 0.000 2.136 128 c CB 0.180 42.654 42.510 -0.060 0.000 2.719 128 c HN 0.159 8.368 8.230 -0.034 0.000 0.644 129 A N 3.069 125.802 122.820 -0.146 0.000 2.310 129 A HA 0.104 4.355 4.320 -0.115 0.000 0.299 129 A C -1.148 176.326 177.584 -0.182 0.000 1.147 129 A CA -0.297 51.644 52.037 -0.161 0.000 0.818 129 A CB 1.429 20.304 19.000 -0.208 0.000 1.096 129 A HN 0.311 8.439 8.150 -0.182 -0.088 0.495 133 G N 1.752 110.511 108.800 -0.068 0.000 2.284 133 G HA2 -0.303 3.625 3.960 -0.053 0.000 0.230 133 G HA3 -0.303 3.630 3.960 -0.045 0.000 0.230 133 G C -0.005 174.858 174.900 -0.062 0.000 1.021 133 G CA -0.147 44.919 45.100 -0.057 0.000 0.619 133 G HN 0.939 9.070 8.290 -0.073 0.115 0.510 134 T N 3.980 118.487 114.554 -0.079 0.000 2.902 134 T HA -0.169 4.147 4.350 -0.057 0.000 0.301 134 T C -0.690 173.968 174.700 -0.070 0.000 1.012 134 T CA 1.901 63.956 62.100 -0.075 0.000 1.151 134 T CB 0.587 69.397 68.868 -0.098 0.000 0.946 134 T HN -0.410 7.699 8.240 -0.095 0.074 0.542 135 Q N 6.526 126.299 119.800 -0.044 0.000 2.279 135 Q HA 0.161 4.629 4.340 -0.033 -0.148 0.256 135 Q C -0.706 175.282 176.000 -0.021 0.000 0.937 135 Q CA 0.466 56.255 55.803 -0.024 0.000 0.933 135 Q CB 0.758 29.498 28.738 0.003 0.000 1.189 135 Q HN 0.191 8.440 8.270 -0.035 0.000 0.417 136 c N 4.798 123.386 118.600 -0.021 0.000 2.771 136 c HA 0.655 5.316 4.570 -0.010 -0.097 0.333 136 c C -1.864 172.234 174.090 0.014 0.000 1.267 136 c CA -1.605 54.714 56.329 -0.017 0.000 1.721 136 c CB 4.195 46.675 42.510 -0.051 0.000 2.222 136 c HN 1.106 9.205 8.230 -0.024 0.117 0.485 137 L N 0.490 121.727 121.223 0.022 0.000 2.322 137 L HA 0.831 5.376 4.340 0.061 -0.169 0.281 137 L C -2.248 174.631 176.870 0.016 0.000 1.014 137 L CA -1.625 53.243 54.840 0.046 0.000 0.815 137 L CB 3.241 45.352 42.059 0.086 0.000 1.247 137 L HN 0.898 9.026 8.230 0.015 0.112 0.421 138 I N 5.965 126.532 120.570 -0.006 0.000 2.509 138 I HA 0.796 5.194 4.170 -0.004 -0.230 0.293 138 I C -1.460 174.626 176.117 -0.051 0.000 1.020 138 I CA -1.808 59.480 61.300 -0.020 0.000 1.088 138 I CB 2.760 40.745 38.000 -0.026 0.000 1.267 138 I HN 1.059 9.161 8.210 0.005 0.111 0.430 139 S N 3.653 119.325 115.700 -0.047 0.000 2.569 139 S HA 1.139 5.688 4.470 -0.211 -0.206 0.280 139 S C -0.984 173.517 174.600 -0.166 0.000 1.111 139 S CA -1.855 56.247 58.200 -0.163 0.000 0.887 139 S CB 4.065 67.125 63.200 -0.233 0.000 1.095 139 S HN -0.145 8.171 8.310 0.010 0.000 0.476 140 G N -0.368 108.255 108.800 -0.295 0.000 2.349 140 G HA2 0.339 4.117 3.960 -0.302 0.000 0.294 140 G HA3 0.339 4.467 3.960 -0.013 -0.176 0.294 140 G C -2.411 172.291 174.900 -0.330 0.000 1.380 140 G CA 0.700 45.660 45.100 -0.234 0.000 0.811 140 G HN 0.168 8.231 8.290 -0.379 0.000 0.519 141 W N 0.810 122.081 121.300 -0.050 0.000 2.862 141 W HA 0.424 5.042 4.660 -0.070 0.000 0.426 141 W C -0.245 176.313 176.519 0.065 0.000 0.950 141 W CA -1.044 56.239 57.345 -0.104 0.000 2.150 141 W CB 0.449 29.679 29.460 -0.384 0.000 1.161 141 W HN 0.537 8.928 8.180 0.351 0.000 0.696 142 G N 0.509 109.473 108.800 0.274 0.000 2.580 142 G HA2 -0.079 4.244 3.960 0.505 0.000 0.278 142 G HA3 -0.079 4.138 3.960 0.239 -0.113 0.278 142 G C -1.380 173.546 174.900 0.044 0.000 1.212 142 G CA -0.797 44.472 45.100 0.282 0.000 0.939 142 G HN -0.127 8.640 8.290 0.182 -0.367 0.513 143 N N 0.196 118.776 118.700 -0.201 0.000 2.293 143 N HA -0.373 3.830 4.740 -1.109 -0.128 0.253 143 N C 1.095 176.464 175.510 -0.235 0.000 1.248 143 N CA 1.458 54.141 53.050 -0.612 0.000 0.845 143 N CB 0.736 38.826 38.487 -0.662 0.000 1.073 143 N HN 0.427 8.683 8.380 -0.033 0.105 0.464 144 T N -0.650 113.778 114.554 -0.210 0.000 3.069 144 T HA 0.115 4.581 4.350 -0.071 -0.159 0.252 144 T C -0.017 174.637 174.700 -0.075 0.000 1.053 144 T CA 0.409 62.451 62.100 -0.097 0.000 0.964 144 T CB 1.149 69.979 68.868 -0.062 0.000 1.005 144 T HN 0.723 8.794 8.240 -0.282 0.000 0.532 145 K N 2.479 122.818 120.400 -0.101 0.000 2.207 145 K HA 0.327 4.623 4.320 -0.039 0.000 0.255 145 K C 0.474 177.048 176.600 -0.043 0.000 0.941 145 K CA -2.096 54.155 56.287 -0.060 0.000 0.825 145 K CB 1.777 34.243 32.500 -0.057 0.000 1.119 145 K HN -0.632 7.754 8.250 -0.164 -0.234 0.430 146 S N -0.069 115.619 115.700 -0.019 0.000 2.425 146 S HA -0.042 4.429 4.470 0.002 0.000 0.225 146 S C -0.220 174.381 174.600 0.002 0.000 1.024 146 S CA 1.091 59.289 58.200 -0.002 0.000 0.951 146 S CB 0.731 63.934 63.200 0.005 0.000 0.796 146 S HN 0.272 8.572 8.310 -0.017 0.000 0.498 147 S N 0.790 116.489 115.700 -0.002 0.000 2.647 147 S HA 0.279 4.755 4.470 0.010 0.000 0.300 147 S C -0.529 174.072 174.600 0.002 0.000 1.129 147 S CA -0.126 58.077 58.200 0.005 0.000 1.029 147 S CB 0.981 64.186 63.200 0.008 0.000 1.007 147 S HN -0.416 7.890 8.310 -0.007 0.000 0.484 148 G N 6.265 115.070 108.800 0.008 0.000 2.681 148 G HA2 -0.228 3.745 3.960 0.023 0.000 0.220 148 G HA3 -0.228 3.738 3.960 0.011 0.000 0.220 148 G C -2.229 172.667 174.900 -0.007 0.000 1.353 148 G CA -0.180 44.927 45.100 0.011 0.000 0.872 148 G HN 0.184 8.482 8.290 0.014 0.000 0.557 149 T N -0.617 113.936 114.554 -0.002 0.000 3.032 149 T HA 0.031 4.479 4.350 -0.121 -0.170 0.312 149 T C -1.621 173.065 174.700 -0.023 0.000 1.078 149 T CA -0.359 61.723 62.100 -0.030 0.000 1.028 149 T CB 2.731 71.652 68.868 0.089 0.000 1.091 149 T HN -0.183 8.065 8.240 0.013 0.000 0.457 150 S N 5.901 121.521 115.700 -0.135 0.000 2.599 150 S HA 0.272 4.798 4.470 0.093 0.000 0.269 150 S C -2.529 171.991 174.600 -0.134 0.000 1.135 150 S CA 0.593 58.776 58.200 -0.029 0.000 1.027 150 S CB 1.334 64.520 63.200 -0.023 0.000 1.129 150 S HN 0.737 9.235 8.310 -0.353 -0.400 0.458 151 Y N 5.090 125.423 120.300 0.054 0.000 2.330 151 Y HA 0.283 4.881 4.550 0.080 0.000 0.336 151 Y C -1.398 174.544 175.900 0.070 0.000 1.036 151 Y CA -2.215 55.929 58.100 0.072 0.000 1.125 151 Y CB 1.685 40.193 38.460 0.080 0.000 1.194 151 Y HN 0.153 8.632 8.280 0.332 0.000 0.469 152 P HA 0.136 4.629 4.420 0.122 0.000 0.286 152 P C -1.481 175.951 177.300 0.220 0.000 1.261 152 P CA -1.024 62.171 63.100 0.159 0.000 0.821 152 P CB 1.672 33.434 31.700 0.103 0.000 1.013 153 D N 0.085 120.588 120.400 0.171 0.000 2.213 153 D HA -0.118 4.585 4.640 0.104 0.000 0.205 153 D C -0.689 175.778 176.300 0.279 0.000 0.961 153 D CA 1.826 55.919 54.000 0.155 0.000 0.853 153 D CB 0.900 41.754 40.800 0.090 0.000 0.967 153 D HN 0.549 8.997 8.370 0.129 0.000 0.496 154 V N -7.157 112.907 119.914 0.249 0.000 2.834 154 V HA 0.428 4.889 4.120 0.376 -0.115 0.313 154 V C -0.702 175.427 176.094 0.059 0.000 1.060 154 V CA -2.867 59.575 62.300 0.236 0.000 0.989 154 V CB 1.823 33.705 31.823 0.099 0.000 1.041 154 V HN -0.952 7.343 8.190 0.174 0.000 0.459 155 L N 2.396 123.508 121.223 -0.184 0.000 2.456 155 L HA -0.032 3.480 4.340 -1.381 0.000 0.272 155 L C -0.470 176.133 176.870 -0.446 0.000 1.189 155 L CA 0.666 55.048 54.840 -0.762 0.000 0.846 155 L CB 0.876 42.451 42.059 -0.807 0.000 1.111 155 L HN -0.365 8.094 8.230 -0.002 -0.230 0.475 156 K N 4.305 124.422 120.400 -0.473 0.000 2.259 156 K HA 0.700 4.964 4.320 -0.354 -0.156 0.249 156 K C -1.239 175.111 176.600 -0.417 0.000 0.942 156 K CA -2.508 53.566 56.287 -0.356 0.000 0.816 156 K CB 2.894 35.261 32.500 -0.221 0.000 1.155 156 K HN 0.497 8.383 8.250 -0.606 0.000 0.428 157 c N 0.528 118.779 118.600 -0.582 0.000 2.561 157 c HA 0.979 5.498 4.570 -0.401 -0.190 0.319 157 c C -1.754 171.998 174.090 -0.564 0.000 1.198 157 c CA -0.808 55.123 56.329 -0.663 0.000 1.665 157 c CB 3.150 45.055 42.510 -1.008 0.000 2.258 157 c HN 0.984 8.668 8.230 -0.721 0.113 0.493 158 L N 2.039 123.141 121.223 -0.201 0.000 2.464 158 L HA 0.475 4.909 4.340 0.156 0.000 0.266 158 L C -2.485 174.469 176.870 0.139 0.000 0.965 158 L CA -0.268 54.600 54.840 0.047 0.000 0.833 158 L CB 4.511 46.608 42.059 0.062 0.000 1.296 158 L HN 1.142 9.179 8.230 -0.155 0.100 0.405 159 K N 6.497 127.043 120.400 0.244 0.000 2.227 159 K HA 0.840 5.478 4.320 0.142 -0.233 0.280 159 K C -1.047 175.695 176.600 0.238 0.000 1.041 159 K CA -0.546 55.860 56.287 0.198 0.000 0.905 159 K CB 1.084 33.694 32.500 0.182 0.000 1.068 159 K HN 0.270 8.709 8.250 0.315 0.000 0.470 160 A N 3.561 126.457 122.820 0.127 0.000 2.549 160 A HA 0.682 5.038 4.320 0.061 0.000 0.297 160 A C -3.457 174.074 177.584 -0.088 0.000 1.061 160 A CA -2.720 49.331 52.037 0.024 0.000 0.690 160 A CB 3.188 22.191 19.000 0.004 0.000 1.287 160 A HN 1.157 9.235 8.150 0.070 0.114 0.402 161 P HA 0.709 5.304 4.420 -0.097 -0.233 0.286 161 P C -0.971 176.255 177.300 -0.124 0.000 1.261 161 P CA -1.546 61.466 63.100 -0.146 0.000 0.821 161 P CB 1.021 32.626 31.700 -0.160 0.000 1.013 162 I N 1.102 121.616 120.570 -0.094 0.000 2.556 162 I HA -0.143 4.155 4.170 0.040 -0.104 0.284 162 I C 0.005 176.096 176.117 -0.043 0.000 1.114 162 I CA 0.849 62.111 61.300 -0.062 0.000 1.418 162 I CB 0.050 37.930 38.000 -0.201 0.000 1.394 162 I HN 0.657 8.698 8.210 -0.105 0.106 0.552 163 L N 6.720 127.955 121.223 0.020 0.000 2.399 163 L HA 0.253 4.577 4.340 -0.026 0.000 0.265 163 L C -0.361 176.523 176.870 0.023 0.000 1.089 163 L CA -0.936 53.909 54.840 0.009 0.000 0.802 163 L CB 1.016 43.093 42.059 0.029 0.000 1.180 163 L HN 0.293 8.481 8.230 0.106 0.106 0.454 164 S N -0.706 115.001 115.700 0.010 0.000 2.560 164 S HA -0.027 4.445 4.470 0.003 0.000 0.284 164 S C 1.156 175.780 174.600 0.041 0.000 1.327 164 S CA -0.783 57.426 58.200 0.015 0.000 1.055 164 S CB 0.792 63.998 63.200 0.009 0.000 0.868 164 S HN 0.342 8.653 8.310 0.001 0.000 0.506 165 D N 4.195 124.619 120.400 0.040 0.000 2.192 165 D HA -0.493 4.193 4.640 0.076 0.000 0.189 165 D C 2.198 178.531 176.300 0.056 0.000 1.007 165 D CA 3.514 57.546 54.000 0.053 0.000 0.859 165 D CB -0.877 39.942 40.800 0.032 0.000 0.936 165 D HN 0.476 8.861 8.370 0.024 0.000 0.447 166 S N -0.586 115.138 115.700 0.040 0.000 2.356 166 S HA -0.182 4.311 4.470 0.038 0.000 0.223 166 S C 2.553 177.176 174.600 0.039 0.000 1.032 166 S CA 3.154 61.376 58.200 0.036 0.000 1.005 166 S CB -0.526 62.688 63.200 0.023 0.000 0.867 166 S HN 0.088 8.408 8.310 0.030 0.008 0.449 167 S N 4.434 120.155 115.700 0.034 0.000 2.356 167 S HA -0.220 4.262 4.470 0.019 0.000 0.223 167 S C 2.040 176.669 174.600 0.047 0.000 1.032 167 S CA 4.017 62.234 58.200 0.029 0.000 1.005 167 S CB -0.778 62.435 63.200 0.021 0.000 0.867 167 S HN -0.367 7.886 8.310 0.031 0.076 0.449 168 c N 3.141 121.787 118.600 0.077 0.000 2.413 168 c HA -0.343 4.316 4.570 0.148 0.000 0.276 168 c C 1.987 176.175 174.090 0.164 0.000 1.236 168 c CA 3.325 59.732 56.329 0.130 0.000 1.735 168 c CB -1.867 40.718 42.510 0.126 0.000 2.031 168 c HN 0.560 8.721 8.230 0.070 0.111 0.474 169 K N -0.821 119.651 120.400 0.119 0.000 2.097 169 K HA -0.316 4.101 4.320 0.162 0.000 0.205 169 K C 2.127 178.786 176.600 0.099 0.000 1.050 169 K CA 3.276 59.637 56.287 0.122 0.000 0.938 169 K CB 0.045 32.598 32.500 0.088 0.000 0.718 169 K HN 0.103 8.301 8.250 0.093 0.108 0.442 170 S N -1.445 114.290 115.700 0.059 0.000 2.481 170 S HA -0.028 4.460 4.470 0.030 0.000 0.231 170 S C 1.645 176.236 174.600 -0.015 0.000 0.996 170 S CA 2.171 60.386 58.200 0.026 0.000 0.942 170 S CB -0.840 62.367 63.200 0.010 0.000 0.768 170 S HN 0.143 8.299 8.310 0.053 0.186 0.520 171 A N 1.086 123.881 122.820 -0.041 0.000 1.970 171 A HA -0.136 4.054 4.320 -0.218 0.000 0.216 171 A C -0.214 177.127 177.584 -0.405 0.000 1.170 171 A CA 1.951 53.846 52.037 -0.237 0.000 0.645 171 A CB 0.951 19.783 19.000 -0.281 0.000 0.816 171 A HN -0.140 7.928 8.150 0.010 0.088 0.447 172 Y N -3.433 116.901 120.300 0.057 0.000 2.748 172 Y HA 0.350 4.971 4.550 0.117 0.000 0.359 172 Y C -2.526 173.435 175.900 0.101 0.000 1.030 172 Y CA -3.565 54.602 58.100 0.111 0.000 1.169 172 Y CB 0.172 38.741 38.460 0.182 0.000 1.127 172 Y HN -0.472 7.928 8.280 0.200 0.000 0.644 173 P HA -0.027 4.563 4.420 0.113 -0.102 0.264 173 P C 0.613 177.988 177.300 0.126 0.000 1.193 173 P CA 1.015 64.188 63.100 0.122 0.000 0.763 173 P CB 0.170 31.913 31.700 0.072 0.000 0.810 174 G N 2.994 111.854 108.800 0.101 0.000 2.184 174 G HA2 -0.384 3.610 3.960 0.057 0.000 0.264 174 G HA3 -0.384 3.610 3.960 0.056 0.000 0.264 174 G C 0.092 175.041 174.900 0.081 0.000 0.975 174 G CA 0.881 46.025 45.100 0.074 0.000 0.642 174 G HN 0.342 8.688 8.290 0.095 0.000 0.536 175 Q N -1.885 117.998 119.800 0.138 0.000 2.246 175 Q HA 0.092 4.461 4.340 0.050 0.000 0.222 175 Q C -0.569 175.547 176.000 0.194 0.000 0.851 175 Q CA -0.372 55.511 55.803 0.134 0.000 0.945 175 Q CB 1.376 30.225 28.738 0.185 0.000 1.122 175 Q HN -0.437 7.881 8.270 0.192 0.068 0.508 176 I N 0.251 120.933 120.570 0.186 0.000 2.315 176 I HA -0.021 4.273 4.170 0.207 0.000 0.291 176 I C -0.111 176.078 176.117 0.120 0.000 1.006 176 I CA -2.132 59.269 61.300 0.167 0.000 1.265 176 I CB -1.006 37.081 38.000 0.145 0.000 1.387 176 I HN -0.392 7.919 8.210 0.169 0.000 0.475 177 T N 2.939 117.562 114.554 0.116 0.000 2.922 177 T HA 0.241 4.631 4.350 0.067 0.000 0.281 177 T C 1.169 175.921 174.700 0.086 0.000 1.005 177 T CA -2.268 59.881 62.100 0.082 0.000 0.982 177 T CB 2.859 71.768 68.868 0.069 0.000 1.158 177 T HN -0.477 7.848 8.240 0.142 0.000 0.566 178 S N -0.949 114.787 115.700 0.060 0.000 2.469 178 S HA -0.138 4.367 4.470 0.059 0.000 0.238 178 S C 0.397 175.038 174.600 0.069 0.000 0.998 178 S CA 2.066 60.296 58.200 0.051 0.000 0.957 178 S CB -0.437 62.773 63.200 0.017 0.000 0.764 178 S HN 0.372 8.708 8.310 0.044 0.000 0.514 179 N N 0.243 118.996 118.700 0.089 0.000 2.251 179 N HA 0.261 5.094 4.740 0.155 0.000 0.217 179 N C -1.710 173.924 175.510 0.207 0.000 1.124 179 N CA -0.294 52.846 53.050 0.150 0.000 0.843 179 N CB 0.783 39.376 38.487 0.177 0.000 1.024 179 N HN -0.526 7.859 8.380 0.083 0.045 0.501 180 M N -0.412 119.294 119.600 0.176 0.000 2.644 180 M HA 0.786 5.521 4.480 0.078 -0.208 0.304 180 M C -2.153 174.273 176.300 0.209 0.000 1.215 180 M CA -0.171 55.203 55.300 0.122 0.000 0.871 180 M CB 4.988 37.642 32.600 0.090 0.000 1.740 180 M HN -0.500 7.810 8.290 0.156 0.073 0.464 181 F N -6.168 113.817 119.950 0.058 0.000 2.645 181 F HA 0.587 5.135 4.527 0.034 0.000 0.310 181 F C -2.692 173.143 175.800 0.058 0.000 1.102 181 F CA -2.347 55.685 58.000 0.053 0.000 0.952 181 F CB 2.048 41.085 39.000 0.062 0.000 1.326 181 F HN 0.488 8.593 8.300 -0.325 0.000 0.456 182 c N -0.195 118.566 118.600 0.269 0.000 2.358 182 c HA 0.999 5.826 4.570 0.048 -0.228 0.342 182 c C -0.765 173.550 174.090 0.375 0.000 1.234 182 c CA -0.944 55.501 56.329 0.193 0.000 1.969 182 c CB 2.061 44.649 42.510 0.129 0.000 2.346 182 c HN 0.867 9.289 8.230 0.321 0.000 0.525 183 A N 3.616 126.642 122.820 0.343 0.000 2.499 183 A HA 0.635 5.156 4.320 0.105 -0.139 0.280 183 A C -2.029 175.623 177.584 0.114 0.000 1.135 183 A CA -0.424 51.729 52.037 0.194 0.000 0.744 183 A CB 2.459 21.531 19.000 0.120 0.000 1.213 183 A HN 0.238 8.635 8.150 0.413 0.000 0.434 184 Y N 2.557 122.891 120.300 0.057 0.000 2.341 184 Y HA 0.126 4.697 4.550 0.035 0.000 0.340 184 Y C 0.810 176.727 175.900 0.027 0.000 0.997 184 Y CA -0.601 57.521 58.100 0.038 0.000 1.149 184 Y CB 0.851 39.332 38.460 0.034 0.000 1.171 184 Y HN 0.223 8.625 8.280 0.204 0.000 0.494 185 L N 4.503 125.792 121.223 0.110 0.000 2.478 185 L HA -0.166 4.202 4.340 0.047 0.000 0.223 185 L C 0.757 177.668 176.870 0.068 0.000 1.140 185 L CA 2.070 56.947 54.840 0.063 0.000 0.842 185 L CB -0.320 41.754 42.059 0.025 0.000 0.953 185 L HN 0.611 8.896 8.230 0.090 0.000 0.452 186 E N -1.808 118.453 120.200 0.101 0.000 2.478 186 E HA -0.069 4.309 4.350 0.045 0.000 0.198 186 E C 0.264 176.903 176.600 0.066 0.000 1.046 186 E CA -0.360 56.083 56.400 0.071 0.000 0.870 186 E CB -1.129 28.613 29.700 0.069 0.000 0.818 186 E HN 0.210 8.637 8.360 0.145 0.021 0.527 187 G N -0.895 107.963 108.800 0.096 0.000 3.445 187 G HA2 -0.383 3.627 3.960 0.082 0.000 0.680 187 G HA3 -0.383 3.604 3.960 0.045 0.000 0.680 187 G C -0.774 174.155 174.900 0.048 0.000 0.972 187 G CA -0.174 44.969 45.100 0.071 0.000 0.798 187 G HN -0.499 7.700 8.290 0.137 0.174 0.461 188 K N 1.217 121.628 120.400 0.018 0.000 6.826 188 K HA -0.594 4.005 4.320 0.022 -0.266 0.788 188 K C -1.537 175.162 176.600 0.164 0.000 2.287 188 K CA 0.216 56.531 56.287 0.046 0.000 1.704 188 K CB -0.093 32.353 32.500 -0.090 0.000 2.053 188 K HN 0.306 8.599 8.250 0.070 0.000 0.296 189 D N 0.593 121.070 120.400 0.127 0.000 2.710 189 D HA 0.224 4.985 4.640 0.201 0.000 0.276 189 D C -1.666 174.707 176.300 0.122 0.000 1.267 189 D CA -0.777 53.311 54.000 0.148 0.000 0.772 189 D CB 4.139 45.007 40.800 0.112 0.000 1.299 189 D HN -0.215 8.206 8.370 0.085 0.000 0.421 190 S N -1.436 114.353 115.700 0.149 0.000 2.645 190 S HA 0.284 4.902 4.470 0.109 -0.083 0.266 190 S C -1.204 173.445 174.600 0.082 0.000 1.258 190 S CA -0.267 58.009 58.200 0.127 0.000 0.990 190 S CB 0.815 64.112 63.200 0.162 0.000 0.967 190 S HN 0.329 8.743 8.310 0.173 0.000 0.556 191 c N -0.253 118.397 118.600 0.083 0.000 3.311 191 c HA 0.378 4.993 4.570 0.074 0.000 0.366 191 c C -1.391 172.775 174.090 0.127 0.000 1.694 191 c CA -0.630 55.744 56.329 0.076 0.000 1.244 191 c CB 3.512 46.039 42.510 0.028 0.000 2.038 191 c HN 0.836 9.633 8.230 0.096 -0.509 0.436 192 Q N 2.387 122.271 119.800 0.140 0.000 2.262 192 Q HA -0.254 4.223 4.340 0.229 0.000 0.298 192 Q C 0.488 176.701 176.000 0.356 0.000 1.083 192 Q CA 2.333 58.277 55.803 0.235 0.000 0.962 192 Q CB 0.477 29.360 28.738 0.243 0.000 1.104 192 Q HN 0.710 9.040 8.270 0.100 0.000 0.376 193 G N 6.521 115.528 108.800 0.346 0.000 2.238 193 G HA2 -0.377 3.792 3.960 0.349 0.000 0.217 193 G HA3 -0.377 3.929 3.960 0.577 0.000 0.217 193 G C 0.363 175.524 174.900 0.435 0.000 0.996 193 G CA 0.575 45.934 45.100 0.431 0.000 0.632 193 G HN 0.654 9.117 8.290 0.288 0.000 0.503 194 D N 1.699 122.278 120.400 0.298 0.000 2.289 194 D HA -0.008 4.789 4.640 0.262 0.000 0.207 194 D C 0.012 176.425 176.300 0.188 0.000 0.966 194 D CA 1.633 55.772 54.000 0.232 0.000 0.868 194 D CB 0.326 41.226 40.800 0.168 0.000 0.943 194 D HN 0.077 8.539 8.370 0.257 0.062 0.514 195 S N -0.804 115.003 115.700 0.177 0.000 2.561 195 S HA -0.346 4.372 4.470 0.151 -0.157 0.294 195 S C 1.261 175.876 174.600 0.024 0.000 1.294 195 S CA 2.610 60.885 58.200 0.125 0.000 1.055 195 S CB -0.141 63.145 63.200 0.143 0.000 0.819 195 S HN -0.251 8.184 8.310 0.208 0.000 0.503 196 G N 4.454 113.261 108.800 0.011 0.000 2.205 196 G HA2 -0.458 3.553 3.960 -0.014 0.000 0.261 196 G HA3 -0.458 3.568 3.960 -0.066 -0.106 0.261 196 G C -0.328 174.609 174.900 0.060 0.000 0.980 196 G CA 0.442 45.537 45.100 -0.009 0.000 0.632 196 G HN 1.053 9.264 8.290 0.053 0.111 0.533 197 G N 0.635 109.498 108.800 0.104 0.000 2.580 197 G HA2 0.392 4.430 3.960 0.131 0.000 0.278 197 G HA3 0.392 4.430 3.960 0.131 0.000 0.278 197 G C -2.758 172.225 174.900 0.139 0.000 1.212 197 G CA -2.159 43.018 45.100 0.129 0.000 0.939 197 G HN -0.412 7.864 8.290 0.113 0.082 0.513 198 P HA 0.215 4.827 4.420 0.123 -0.118 0.284 198 P C -1.659 175.699 177.300 0.095 0.000 1.253 198 P CA -1.009 62.180 63.100 0.148 0.000 0.800 198 P CB 0.996 32.861 31.700 0.275 0.000 0.961 199 V N 4.117 124.062 119.914 0.052 0.000 2.326 199 V HA 0.369 4.627 4.120 -0.054 -0.171 0.281 199 V C -1.041 175.051 176.094 -0.003 0.000 1.015 199 V CA -0.669 61.618 62.300 -0.022 0.000 0.823 199 V CB 0.911 32.661 31.823 -0.122 0.000 1.009 199 V HN 0.706 8.856 8.190 0.073 0.084 0.436 200 V N 8.479 128.387 119.914 -0.010 0.000 2.435 200 V HA 0.591 4.842 4.120 -0.088 -0.184 0.290 200 V C -1.464 174.609 176.094 -0.036 0.000 1.030 200 V CA -1.193 61.073 62.300 -0.057 0.000 0.881 200 V CB 2.425 34.181 31.823 -0.112 0.000 0.983 200 V HN 0.964 9.167 8.190 0.022 0.000 0.445 201 c N 6.388 124.957 118.600 -0.052 0.000 2.431 201 c HA 0.461 5.013 4.570 -0.031 0.000 0.321 201 c C 0.515 174.578 174.090 -0.045 0.000 1.202 201 c CA -1.111 55.190 56.329 -0.047 0.000 1.398 201 c CB 1.244 43.710 42.510 -0.073 0.000 2.047 201 c HN 1.193 9.277 8.230 -0.066 0.107 0.465 202 S N 5.745 121.427 115.700 -0.030 0.000 3.559 202 S HA -0.290 4.171 4.470 -0.015 0.000 0.369 202 S C 0.513 175.095 174.600 -0.030 0.000 0.987 202 S CA 1.036 59.221 58.200 -0.026 0.000 1.187 202 S CB -1.455 61.727 63.200 -0.030 0.000 0.914 202 S HN 1.119 9.418 8.310 -0.020 0.000 0.480 203 G N -4.047 104.735 108.800 -0.031 0.000 2.166 203 G HA2 -0.387 3.546 3.960 -0.045 0.000 0.260 203 G HA3 -0.387 3.555 3.960 -0.030 0.000 0.260 203 G C -1.089 173.761 174.900 -0.084 0.000 0.986 203 G CA 0.393 45.465 45.100 -0.046 0.000 0.683 203 G HN 0.332 8.610 8.290 -0.019 0.000 0.527 210 Q N 1.097 120.919 119.800 0.037 0.000 2.396 210 Q HA 0.258 4.641 4.340 0.073 0.000 0.220 210 Q C -0.237 175.938 176.000 0.291 0.000 0.900 210 Q CA 0.326 56.182 55.803 0.089 0.000 0.925 210 Q CB 2.791 31.510 28.738 -0.031 0.000 1.065 210 Q HN 0.838 9.119 8.270 0.018 0.000 0.535 211 G N -3.222 105.741 108.800 0.273 0.000 2.725 211 G HA2 0.662 5.100 3.960 0.363 0.000 0.288 211 G HA3 0.662 4.839 3.960 0.363 0.000 0.288 211 G C -3.158 171.846 174.900 0.172 0.000 1.399 211 G CA -0.717 44.571 45.100 0.313 0.000 0.859 211 G HN -0.314 8.069 8.290 0.155 0.000 0.479 212 I N -1.185 119.488 120.570 0.171 0.000 2.534 212 I HA 0.565 5.036 4.170 0.154 -0.208 0.288 212 I C -0.713 175.544 176.117 0.234 0.000 1.077 212 I CA -1.329 60.068 61.300 0.161 0.000 1.051 212 I CB 4.568 42.624 38.000 0.094 0.000 1.234 212 I HN -0.352 7.947 8.210 0.148 0.000 0.425 213 V N 7.057 127.135 119.914 0.273 0.000 2.458 213 V HA -0.213 3.986 4.120 0.131 0.000 0.287 213 V C -0.998 175.145 176.094 0.081 0.000 1.009 213 V CA 1.754 64.178 62.300 0.207 0.000 1.091 213 V CB -1.421 30.539 31.823 0.227 0.000 0.960 213 V HN 0.377 8.705 8.190 0.229 0.000 0.476 214 S N 8.280 123.940 115.700 -0.068 0.000 3.066 214 S HA 0.486 5.267 4.470 0.350 -0.101 0.235 214 S C -1.125 173.598 174.600 0.204 0.000 0.995 214 S CA 0.265 58.554 58.200 0.149 0.000 0.835 214 S CB 2.509 65.782 63.200 0.122 0.000 0.814 214 S HN -0.017 8.047 8.310 -0.410 0.000 0.594 215 W N -1.829 119.325 121.300 -0.244 0.000 2.937 215 W HA 0.255 4.818 4.660 -0.163 0.000 0.360 215 W C -2.769 173.594 176.519 -0.261 0.000 1.215 215 W CA -0.361 56.847 57.345 -0.229 0.000 1.183 215 W CB 0.788 30.100 29.460 -0.245 0.000 1.458 215 W HN 0.126 8.016 8.180 -0.483 0.000 0.574 216 G N -2.081 106.802 108.800 0.139 0.000 2.490 216 G HA2 0.153 3.925 3.960 -0.312 0.000 0.308 216 G HA3 0.153 4.078 3.960 -0.057 0.000 0.308 216 G C -2.275 172.799 174.900 0.290 0.000 1.286 216 G CA -0.109 44.996 45.100 0.010 0.000 0.825 216 G HN -0.178 8.326 8.290 0.356 0.000 0.479 220 c N 1.252 119.887 118.600 0.059 0.000 3.163 220 c HA 0.275 5.024 4.570 0.058 -0.144 0.228 220 c C -1.532 172.586 174.090 0.047 0.000 1.593 220 c CA -1.153 55.207 56.329 0.052 0.000 1.489 220 c CB -1.097 41.435 42.510 0.038 0.000 2.294 220 c HN 0.358 8.618 8.230 0.051 0.000 0.508 221 Q N -0.682 119.144 119.800 0.044 0.000 3.017 221 Q HA 0.008 4.363 4.340 0.025 0.000 0.202 221 Q C -1.721 174.293 176.000 0.024 0.000 1.020 221 Q CA 0.117 55.938 55.803 0.030 0.000 1.058 221 Q CB 2.012 30.768 28.738 0.030 0.000 2.095 221 Q HN 0.361 8.662 8.270 0.052 0.000 0.536 222 K N 4.828 125.238 120.400 0.017 0.000 2.513 222 K HA -0.438 4.027 4.320 0.022 -0.131 0.275 222 K C 0.044 176.636 176.600 -0.014 0.000 1.025 222 K CA 1.196 57.489 56.287 0.010 0.000 1.125 222 K CB -1.240 31.262 32.500 0.004 0.000 0.843 222 K HN 0.427 8.687 8.250 0.017 0.000 0.486 223 N N -0.884 117.806 118.700 -0.017 0.000 2.955 223 N HA -0.521 4.190 4.740 -0.049 0.000 0.230 223 N C -1.447 173.985 175.510 -0.130 0.000 0.891 223 N CA 2.453 55.467 53.050 -0.061 0.000 1.002 223 N CB -0.090 38.363 38.487 -0.058 0.000 1.063 223 N HN 0.955 9.209 8.380 0.007 0.130 0.601 224 K N -1.221 119.124 120.400 -0.092 0.000 2.592 224 K HA 0.542 4.648 4.320 -0.357 0.000 0.212 224 K C -2.727 173.890 176.600 0.029 0.000 1.013 224 K CA -3.559 52.650 56.287 -0.129 0.000 1.034 224 K CB 0.339 32.805 32.500 -0.057 0.000 1.292 224 K HN -0.069 7.972 8.250 -0.031 0.190 0.521 225 P HA 0.073 4.548 4.420 0.093 0.000 0.279 225 P C -0.376 176.963 177.300 0.065 0.000 1.252 225 P CA -0.978 62.177 63.100 0.091 0.000 0.811 225 P CB 1.107 32.857 31.700 0.083 0.000 1.035 226 G N -0.350 108.444 108.800 -0.011 0.000 2.554 226 G HA2 0.093 3.949 3.960 -0.347 0.000 0.238 226 G HA3 0.093 3.996 3.960 -0.248 -0.092 0.238 226 G C -1.394 173.168 174.900 -0.565 0.000 1.259 226 G CA -0.036 44.887 45.100 -0.295 0.000 0.843 226 G HN -0.249 8.232 8.290 0.074 -0.147 0.582 227 V N 1.514 120.779 119.914 -1.082 0.000 2.680 227 V HA 0.770 4.630 4.120 -0.754 -0.192 0.309 227 V C -1.011 174.311 176.094 -1.286 0.000 1.052 227 V CA -2.297 59.305 62.300 -1.164 0.000 0.908 227 V CB 2.827 33.579 31.823 -1.784 0.000 1.001 227 V HN 0.797 8.335 8.190 -1.087 0.000 0.431 228 Y N 4.000 123.893 120.300 -0.680 0.000 2.499 228 Y HA 0.519 4.976 4.550 -0.371 -0.129 0.347 228 Y C 0.082 175.677 175.900 -0.509 0.000 0.987 228 Y CA -1.938 55.772 58.100 -0.650 0.000 1.044 228 Y CB 3.954 41.755 38.460 -1.100 0.000 1.245 228 Y HN 1.269 9.016 8.280 -0.707 0.108 0.461 229 T N 5.249 119.752 114.554 -0.085 0.000 2.870 229 T HA 0.025 4.553 4.350 0.083 -0.129 0.300 229 T C -0.678 174.135 174.700 0.190 0.000 0.989 229 T CA 1.368 63.500 62.100 0.054 0.000 1.139 229 T CB 0.391 69.279 68.868 0.032 0.000 0.920 229 T HN 0.726 8.959 8.240 -0.012 0.000 0.537 230 K N 7.847 128.462 120.400 0.359 0.000 2.220 230 K HA 0.069 4.970 4.320 0.772 -0.118 0.283 230 K C 0.915 177.783 176.600 0.447 0.000 1.098 230 K CA -0.360 56.233 56.287 0.511 0.000 0.928 230 K CB -0.186 32.563 32.500 0.415 0.000 1.214 230 K HN 0.501 8.850 8.250 0.351 0.111 0.442 231 V N 6.449 126.593 119.914 0.383 0.000 2.490 231 V HA -0.428 3.984 4.120 0.487 0.000 0.250 231 V C 1.529 177.806 176.094 0.305 0.000 1.061 231 V CA 3.225 65.739 62.300 0.358 0.000 1.064 231 V CB -0.777 31.181 31.823 0.224 0.000 0.670 231 V HN 0.906 9.213 8.190 0.384 0.113 0.461 232 c N -2.180 116.531 118.600 0.186 0.000 2.403 232 c HA -0.289 4.331 4.570 0.082 0.000 0.279 232 c C 2.033 176.154 174.090 0.052 0.000 1.269 232 c CA 2.003 58.389 56.329 0.094 0.000 1.774 232 c CB -2.092 40.439 42.510 0.035 0.000 1.993 232 c HN 0.639 8.972 8.230 0.171 0.000 0.496 233 N N 0.933 119.631 118.700 -0.002 0.000 2.459 233 N HA -0.128 4.513 4.740 -0.164 0.000 0.181 233 N C 0.604 175.893 175.510 -0.369 0.000 1.046 233 N CA 1.568 54.469 53.050 -0.249 0.000 0.904 233 N CB -0.255 37.945 38.487 -0.479 0.000 0.964 233 N HN -0.374 8.036 8.380 0.084 0.020 0.444 234 Y N -4.518 115.852 120.300 0.116 0.000 2.467 234 Y HA 0.120 4.800 4.550 0.216 0.000 0.250 234 Y C 0.456 176.500 175.900 0.239 0.000 1.155 234 Y CA -0.119 58.106 58.100 0.208 0.000 1.249 234 Y CB 0.148 38.762 38.460 0.256 0.000 1.146 234 Y HN -0.109 8.164 8.280 0.271 0.170 0.524 235 V N 1.137 121.194 119.914 0.240 0.000 2.250 235 V HA -0.645 3.561 4.120 0.144 0.000 0.250 235 V C 1.858 178.024 176.094 0.119 0.000 1.060 235 V CA 5.363 67.754 62.300 0.152 0.000 1.030 235 V CB -0.661 31.211 31.823 0.081 0.000 0.643 235 V HN -0.682 7.610 8.190 0.170 0.000 0.445 236 S N 0.243 116.017 115.700 0.123 0.000 2.359 236 S HA -0.298 4.201 4.470 0.049 0.000 0.224 236 S C 1.807 176.495 174.600 0.146 0.000 1.035 236 S CA 3.531 61.791 58.200 0.101 0.000 1.018 236 S CB -0.531 62.725 63.200 0.094 0.000 0.876 236 S HN 0.072 8.452 8.310 0.116 0.000 0.448 237 W N 2.348 123.690 121.300 0.069 0.000 2.381 237 W HA -0.319 4.363 4.660 0.037 0.000 0.301 237 W C 1.574 178.101 176.519 0.013 0.000 1.205 237 W CA 3.212 60.602 57.345 0.074 0.000 1.285 237 W CB -0.062 29.513 29.460 0.192 0.000 1.133 237 W HN -0.602 7.721 8.180 0.402 0.098 0.521 238 I N 0.490 121.012 120.570 -0.080 0.000 2.142 238 I HA -0.732 2.929 4.170 -0.849 0.000 0.240 238 I C 1.776 177.641 176.117 -0.419 0.000 1.078 238 I CA 4.631 65.683 61.300 -0.414 0.000 1.343 238 I CB -0.385 37.543 38.000 -0.120 0.000 1.046 238 I HN 0.050 8.409 8.210 0.247 0.000 0.405 239 K N -1.063 119.204 120.400 -0.222 0.000 2.063 239 K HA -0.477 3.700 4.320 -0.238 0.000 0.208 239 K C 2.472 178.936 176.600 -0.227 0.000 1.048 239 K CA 4.095 60.259 56.287 -0.205 0.000 0.928 239 K CB -0.423 32.017 32.500 -0.099 0.000 0.713 239 K HN 0.202 8.389 8.250 -0.106 0.000 0.442 240 Q N -1.340 118.346 119.800 -0.190 0.000 2.119 240 Q HA -0.270 3.996 4.340 -0.123 0.000 0.201 240 Q C 1.729 177.580 176.000 -0.248 0.000 0.972 240 Q CA 3.323 59.031 55.803 -0.159 0.000 0.847 240 Q CB -0.416 28.280 28.738 -0.069 0.000 0.903 240 Q HN -0.063 8.121 8.270 -0.143 0.000 0.433 241 T N 1.835 116.132 114.554 -0.428 0.000 2.770 241 T HA -0.212 3.931 4.350 -0.345 0.000 0.263 241 T C 2.379 176.736 174.700 -0.571 0.000 1.039 241 T CA 4.672 66.456 62.100 -0.527 0.000 1.142 241 T CB -0.005 68.331 68.868 -0.888 0.000 0.868 241 T HN -0.270 7.569 8.240 -0.500 0.100 0.435 242 I N -2.183 117.942 120.570 -0.742 0.000 2.761 242 I HA 0.002 3.461 4.170 -1.185 0.000 0.261 242 I C 1.261 177.165 176.117 -0.355 0.000 1.198 242 I CA 2.342 63.115 61.300 -0.878 0.000 1.482 242 I CB -0.717 36.450 38.000 -1.388 0.000 1.100 242 I HN 0.424 8.113 8.210 -0.697 0.103 0.445 243 A N 0.855 123.527 122.820 -0.246 0.000 2.125 243 A HA -0.155 4.119 4.320 -0.076 0.000 0.219 243 A C 0.712 178.266 177.584 -0.050 0.000 1.156 243 A CA 2.354 54.325 52.037 -0.111 0.000 0.671 243 A CB -0.220 18.722 19.000 -0.097 0.000 0.794 243 A HN 0.068 8.049 8.150 -0.282 0.000 0.459 244 S N -4.061 111.604 115.700 -0.058 0.000 2.701 244 S HA 0.208 4.682 4.470 0.006 0.000 0.242 244 S C -0.898 173.726 174.600 0.039 0.000 1.025 244 S CA -0.167 58.027 58.200 -0.010 0.000 1.016 244 S CB 0.557 63.741 63.200 -0.026 0.000 0.977 244 S HN -0.158 8.021 8.310 -0.117 0.061 0.546 245 N N 0.000 118.759 118.700 0.098 0.000 1.763 245 N HA 0.000 4.827 4.740 0.145 0.000 0.220 245 N CA 0.000 53.179 53.050 0.215 0.000 0.885 245 N CB 0.000 38.674 38.487 0.312 0.000 1.341 245 N HN 0.000 8.434 8.380 0.090 0.000 0.667