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 1c5q_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 4.179 4.170 0.015 0.000 0.288 16 I C 0.000 176.104 176.117 -0.021 0.000 1.063 16 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.069 0.000 1.214 17 V N 5.382 125.295 119.914 -0.002 0.000 2.483 17 V HA 0.236 4.470 4.120 -0.019 -0.125 0.295 17 V C 0.534 176.627 176.094 -0.001 0.000 1.035 17 V CA -1.613 60.683 62.300 -0.006 0.000 0.896 17 V CB 1.461 33.286 31.823 0.003 0.000 0.986 17 V HN 0.906 9.108 8.190 0.019 0.000 0.447 18 G N 6.719 115.513 108.800 -0.010 0.000 2.198 18 G HA2 -0.401 3.552 3.960 -0.011 0.000 0.260 18 G HA3 -0.401 3.713 3.960 -0.028 -0.171 0.260 18 G C -0.674 174.231 174.900 0.009 0.000 1.025 18 G CA 0.570 45.663 45.100 -0.012 0.000 0.769 18 G HN 0.801 9.084 8.290 -0.013 0.000 0.507 19 G N -1.439 107.365 108.800 0.006 0.000 2.671 19 G HA2 0.528 4.524 3.960 0.085 0.000 0.275 19 G HA3 0.528 4.527 3.960 -0.083 -0.089 0.275 19 G C -1.773 173.170 174.900 0.072 0.000 1.368 19 G CA -1.132 43.975 45.100 0.012 0.000 1.044 19 G HN -0.657 7.598 8.290 -0.012 0.028 0.543 20 Y N -6.053 114.227 120.300 -0.033 0.000 2.605 20 Y HA 0.414 4.947 4.550 -0.029 0.000 0.343 20 Y C -1.702 174.172 175.900 -0.043 0.000 1.036 20 Y CA -2.946 55.134 58.100 -0.033 0.000 1.065 20 Y CB 1.271 39.715 38.460 -0.028 0.000 1.288 20 Y HN 0.318 8.327 8.280 -0.452 0.000 0.481 21 T N 2.505 117.114 114.554 0.092 0.000 2.799 21 T HA 0.114 4.544 4.350 -0.099 -0.139 0.296 21 T C 0.280 175.001 174.700 0.035 0.000 0.947 21 T CA 0.848 62.946 62.100 -0.002 0.000 1.141 21 T CB -0.008 68.884 68.868 0.041 0.000 0.891 21 T HN -0.001 8.346 8.240 0.178 0.000 0.533 22 c N 6.234 124.761 118.600 -0.123 0.000 2.429 22 c HA -0.102 4.467 4.570 -0.003 0.000 0.277 22 c C 0.200 174.309 174.090 0.032 0.000 1.262 22 c CA 0.670 56.959 56.329 -0.067 0.000 1.733 22 c CB 0.258 42.658 42.510 -0.184 0.000 2.010 22 c HN -0.018 8.087 8.230 -0.208 0.000 0.483 23 G N -1.876 106.927 108.800 0.005 0.000 2.742 23 G HA2 -0.165 3.811 3.960 0.027 0.000 0.686 23 G HA3 -0.165 3.813 3.960 0.031 0.000 0.686 23 G C -1.911 172.990 174.900 0.001 0.000 1.220 23 G CA -0.821 44.291 45.100 0.020 0.000 0.783 23 G HN -0.363 7.914 8.290 -0.023 0.000 0.646 24 A N 3.351 126.179 122.820 0.014 0.000 2.548 24 A HA -0.153 4.338 4.320 0.025 -0.155 0.247 24 A C -0.169 177.420 177.584 0.008 0.000 1.067 24 A CA 1.001 53.049 52.037 0.018 0.000 0.757 24 A CB 0.189 19.206 19.000 0.028 0.000 0.996 24 A HN 0.257 8.419 8.150 0.020 0.000 0.504 25 N N -2.718 115.984 118.700 0.003 0.000 2.714 25 N HA -0.374 4.356 4.740 -0.016 0.000 0.250 25 N C 0.140 175.630 175.510 -0.034 0.000 1.117 25 N CA 1.535 54.578 53.050 -0.011 0.000 0.719 25 N CB -1.037 37.454 38.487 0.007 0.000 1.081 25 N HN 0.231 8.619 8.380 0.014 0.000 0.557 26 T N -3.538 110.988 114.554 -0.047 0.000 3.113 26 T HA -0.000 4.340 4.350 -0.016 0.000 0.256 26 T C -0.039 174.606 174.700 -0.091 0.000 1.131 26 T CA 2.073 64.150 62.100 -0.039 0.000 1.074 26 T CB 0.449 69.309 68.868 -0.013 0.000 0.944 26 T HN -0.529 7.649 8.240 -0.050 0.032 0.516 27 V N 2.266 122.066 119.914 -0.191 0.000 2.320 27 V HA 0.376 4.242 4.120 -0.423 0.000 0.257 27 V C -1.530 174.255 176.094 -0.516 0.000 0.996 27 V CA -3.389 58.643 62.300 -0.447 0.000 0.928 27 V CB 0.569 32.109 31.823 -0.471 0.000 1.169 27 V HN -0.534 7.488 8.190 -0.162 0.071 0.475 28 P HA 0.035 4.507 4.420 -0.081 -0.101 0.230 28 P C 0.011 177.276 177.300 -0.059 0.000 1.158 28 P CA 1.602 64.636 63.100 -0.110 0.000 0.769 28 P CB 0.050 31.758 31.700 0.012 0.000 0.807 29 Y N -6.223 114.102 120.300 0.042 0.000 2.462 29 Y HA 0.517 5.243 4.550 0.056 -0.143 0.261 29 Y C -0.579 175.358 175.900 0.061 0.000 1.146 29 Y CA -3.162 54.968 58.100 0.050 0.000 1.283 29 Y CB -1.058 37.427 38.460 0.042 0.000 1.090 29 Y HN -0.429 7.282 8.280 -0.837 0.067 0.526 30 Q N 2.736 122.406 119.800 -0.217 0.000 2.332 30 Q HA 0.200 4.730 4.340 0.087 -0.138 0.263 30 Q C -0.266 175.813 176.000 0.132 0.000 0.979 30 Q CA 0.234 56.017 55.803 -0.034 0.000 0.885 30 Q CB 1.176 29.789 28.738 -0.209 0.000 1.218 30 Q HN -0.622 7.289 8.270 -0.510 0.054 0.405 31 V N 0.750 120.780 119.914 0.193 0.000 3.074 31 V HA 0.796 5.136 4.120 0.184 -0.110 0.314 31 V C -2.000 174.237 176.094 0.238 0.000 1.117 31 V CA -2.848 59.559 62.300 0.180 0.000 1.014 31 V CB 3.953 35.832 31.823 0.094 0.000 1.057 31 V HN 0.303 8.604 8.190 0.185 0.000 0.438 32 S N 0.176 115.917 115.700 0.068 0.000 2.502 32 S HA 0.509 5.199 4.470 0.161 -0.123 0.304 32 S C -1.119 173.350 174.600 -0.217 0.000 1.097 32 S CA -2.042 56.132 58.200 -0.043 0.000 1.045 32 S CB 1.945 64.906 63.200 -0.397 0.000 1.019 32 S HN 0.008 8.321 8.310 0.004 0.000 0.481 33 L N 6.922 127.891 121.223 -0.423 0.000 2.275 33 L HA 0.586 4.834 4.340 -0.380 -0.135 0.288 33 L C -1.510 174.875 176.870 -0.810 0.000 1.046 33 L CA -0.897 53.560 54.840 -0.638 0.000 0.805 33 L CB 0.982 42.476 42.059 -0.942 0.000 1.193 33 L HN 0.718 8.670 8.230 -0.464 0.000 0.426 38 G N 0.881 109.617 108.800 -0.107 0.000 2.176 38 G HA2 -0.341 3.620 3.960 0.003 0.000 0.232 38 G HA3 -0.341 3.701 3.960 0.137 0.000 0.232 38 G C -1.904 173.109 174.900 0.189 0.000 0.986 38 G CA 0.276 45.411 45.100 0.057 0.000 0.643 38 G HN 0.320 8.875 8.290 -0.163 -0.363 0.522 39 Y N -7.875 112.401 120.300 -0.041 0.000 2.765 39 Y HA 0.173 4.685 4.550 -0.063 0.000 0.350 39 Y C -2.532 173.362 175.900 -0.010 0.000 1.196 39 Y CA -3.549 54.528 58.100 -0.039 0.000 1.119 39 Y CB 0.740 39.176 38.460 -0.040 0.000 1.368 39 Y HN -1.257 6.862 8.280 -0.308 -0.024 0.463 40 H N 2.653 121.640 119.070 -0.139 0.000 2.690 40 H HA 0.097 4.569 4.556 -0.397 -0.155 0.314 40 H C -0.451 174.808 175.328 -0.115 0.000 1.069 40 H CA -0.666 55.229 56.048 -0.255 0.000 1.436 40 H CB 0.347 29.965 29.762 -0.240 0.000 1.462 40 H HN 0.269 8.638 8.280 0.149 0.000 0.511 41 F N 2.564 122.053 119.950 -0.769 0.000 2.778 41 F HA 0.316 4.715 4.527 -0.212 0.000 0.314 41 F C -1.472 174.058 175.800 -0.450 0.000 1.073 41 F CA -0.629 57.103 58.000 -0.447 0.000 1.218 41 F CB 1.508 40.316 39.000 -0.320 0.000 1.037 41 F HN 0.139 7.703 8.300 -1.226 0.000 0.594 42 c N -1.659 116.238 118.600 -1.172 0.000 3.318 42 c HA 0.334 4.757 4.570 -0.244 0.000 0.322 42 c C -1.635 172.254 174.090 -0.334 0.000 1.398 42 c CA -0.239 55.754 56.329 -0.560 0.000 1.339 42 c CB 4.078 46.341 42.510 -0.412 0.000 1.668 42 c HN -0.816 6.410 8.230 -1.673 0.000 0.462 43 G N -0.996 107.794 108.800 -0.016 0.000 2.601 43 G HA2 0.815 5.083 3.960 0.249 0.000 0.317 43 G HA3 0.815 4.904 3.960 0.215 0.000 0.317 43 G C -2.540 172.390 174.900 0.049 0.000 1.246 43 G CA -1.660 43.529 45.100 0.148 0.000 1.012 43 G HN 0.794 9.079 8.290 -0.009 0.000 0.494 44 G N -3.903 104.957 108.800 0.100 0.000 2.506 44 G HA2 0.493 4.779 3.960 0.078 0.000 0.292 44 G HA3 0.493 4.487 3.960 0.058 0.000 0.292 44 G C -2.922 172.063 174.900 0.141 0.000 1.425 44 G CA 0.380 45.533 45.100 0.088 0.000 0.788 44 G HN -0.632 7.750 8.290 0.153 0.000 0.490 45 S N -0.498 115.290 115.700 0.147 0.000 2.521 45 S HA 0.802 5.633 4.470 0.267 -0.201 0.295 45 S C -1.347 173.354 174.600 0.168 0.000 1.098 45 S CA -0.860 57.459 58.200 0.198 0.000 0.999 45 S CB 3.785 67.086 63.200 0.168 0.000 1.034 45 S HN 0.379 8.762 8.310 0.122 0.000 0.483 46 L N 6.187 127.525 121.223 0.192 0.000 2.313 46 L HA 0.180 4.719 4.340 0.147 -0.111 0.282 46 L C -0.734 176.220 176.870 0.139 0.000 1.092 46 L CA -0.151 54.784 54.840 0.159 0.000 0.831 46 L CB 1.096 43.249 42.059 0.156 0.000 1.159 46 L HN 0.402 8.785 8.230 0.254 0.000 0.442 47 I N 0.346 120.995 120.570 0.133 0.000 4.070 47 I HA 0.511 4.875 4.170 0.066 -0.155 0.328 47 I C -0.933 175.240 176.117 0.094 0.000 1.298 47 I CA -0.583 60.772 61.300 0.093 0.000 1.173 47 I CB 0.871 38.915 38.000 0.074 0.000 1.051 47 I HN 0.276 8.583 8.210 0.161 0.000 0.409 48 N N -2.145 116.633 118.700 0.131 0.000 3.308 48 N HA 0.172 4.967 4.740 0.091 0.000 0.276 48 N C -0.687 174.901 175.510 0.130 0.000 1.533 48 N CA -0.635 52.488 53.050 0.123 0.000 0.878 48 N CB 0.736 39.304 38.487 0.135 0.000 1.566 48 N HN -0.921 7.553 8.380 0.157 0.000 0.546 49 S N -3.833 111.932 115.700 0.109 0.000 2.555 49 S HA -0.263 4.250 4.470 0.072 0.000 0.230 49 S C 0.733 175.369 174.600 0.059 0.000 0.978 49 S CA 2.575 60.822 58.200 0.078 0.000 0.934 49 S CB -0.062 63.173 63.200 0.057 0.000 0.766 49 S HN 0.346 8.717 8.310 0.102 0.000 0.533 50 Q N -0.303 119.551 119.800 0.089 0.000 2.140 50 Q HA 0.341 4.630 4.340 -0.085 0.000 0.227 50 Q C -2.185 173.703 176.000 -0.187 0.000 0.798 50 Q CA -0.348 55.418 55.803 -0.063 0.000 0.987 50 Q CB 2.759 31.437 28.738 -0.101 0.000 1.161 50 Q HN 0.120 8.806 8.270 0.182 -0.307 0.480 51 W N -2.124 119.183 121.300 0.012 0.000 2.915 51 W HA 0.720 5.581 4.660 0.009 -0.195 0.337 51 W C -1.477 175.056 176.519 0.024 0.000 1.102 51 W CA -1.117 56.234 57.345 0.010 0.000 1.224 51 W CB 3.821 33.279 29.460 -0.004 0.000 1.416 51 W HN -0.298 8.190 8.180 0.279 -0.140 0.503 52 V N 0.890 120.966 119.914 0.269 0.000 2.823 52 V HA 0.780 5.180 4.120 0.173 -0.177 0.312 52 V C -1.484 174.725 176.094 0.192 0.000 1.072 52 V CA -1.653 60.756 62.300 0.182 0.000 0.937 52 V CB 3.712 35.599 31.823 0.106 0.000 1.013 52 V HN 0.879 9.240 8.190 0.286 0.000 0.430 53 V N 5.830 125.835 119.914 0.151 0.000 2.513 53 V HA 0.743 5.122 4.120 0.158 -0.164 0.299 53 V C -1.262 174.892 176.094 0.100 0.000 1.035 53 V CA -1.155 61.226 62.300 0.136 0.000 0.889 53 V CB 2.106 34.002 31.823 0.121 0.000 0.988 53 V HN 0.594 8.868 8.190 0.140 0.000 0.440 54 S N 4.160 119.907 115.700 0.078 0.000 2.880 54 S HA 0.557 5.242 4.470 0.038 -0.192 0.308 54 S C -2.081 172.514 174.600 -0.007 0.000 1.195 54 S CA -2.428 55.791 58.200 0.031 0.000 0.866 54 S CB 2.522 65.727 63.200 0.009 0.000 1.254 54 S HN 0.742 9.108 8.310 0.094 0.000 0.571 55 A N -0.605 122.169 122.820 -0.077 0.000 2.306 55 A HA 0.480 4.900 4.320 -0.087 -0.152 0.314 55 A C 0.415 177.880 177.584 -0.200 0.000 1.164 55 A CA -1.793 50.159 52.037 -0.142 0.000 0.822 55 A CB 1.613 20.467 19.000 -0.243 0.000 1.130 55 A HN 0.325 8.417 8.150 -0.097 0.000 0.496 56 A N 4.678 127.337 122.820 -0.269 0.000 1.972 56 A HA -0.249 3.924 4.320 -0.244 0.000 0.219 56 A C 1.257 178.625 177.584 -0.361 0.000 1.169 56 A CA 2.851 54.612 52.037 -0.460 0.000 0.635 56 A CB -0.362 17.955 19.000 -1.138 0.000 0.810 56 A HN 0.603 8.639 8.150 -0.241 -0.031 0.446 57 H N -5.740 113.188 119.070 -0.238 0.000 2.563 57 H HA -0.038 4.546 4.556 0.047 0.000 0.272 57 H C -0.105 175.275 175.328 0.087 0.000 1.005 57 H CA 1.058 57.112 56.048 0.010 0.000 1.171 57 H CB -1.212 28.619 29.762 0.116 0.000 1.351 57 H HN -0.216 8.229 8.280 -0.138 -0.247 0.602 58 c N -1.272 117.245 118.600 -0.138 0.000 2.791 58 c HA 0.056 4.694 4.570 0.112 0.000 0.270 58 c C 0.022 174.187 174.090 0.125 0.000 1.257 58 c CA -0.366 55.981 56.329 0.030 0.000 1.699 58 c CB -1.595 40.900 42.510 -0.026 0.000 1.904 58 c HN -0.264 7.641 8.230 -0.210 0.200 0.603 59 Y N 3.094 123.387 120.300 -0.011 0.000 2.610 59 Y HA -0.246 4.316 4.550 0.021 0.000 0.332 59 Y C -1.051 174.822 175.900 -0.045 0.000 1.201 59 Y CA 2.067 60.163 58.100 -0.007 0.000 1.465 59 Y CB 0.754 39.200 38.460 -0.022 0.000 1.283 59 Y HN -0.529 7.663 8.280 0.148 0.177 0.563 60 K N 5.732 125.435 120.400 -1.162 0.000 2.735 60 K HA 0.169 4.083 4.320 -0.677 0.000 0.295 60 K C -2.291 173.819 176.600 -0.817 0.000 1.052 60 K CA -0.856 54.932 56.287 -0.831 0.000 0.853 60 K CB 2.334 34.495 32.500 -0.564 0.000 1.535 60 K HN -0.143 7.298 8.250 -1.348 0.000 0.383 61 S N -0.767 114.663 115.700 -0.451 0.000 2.690 61 S HA 0.123 4.418 4.470 -0.291 0.000 0.291 61 S C 0.807 175.281 174.600 -0.209 0.000 1.138 61 S CA -0.284 57.754 58.200 -0.271 0.000 1.013 61 S CB 1.245 64.369 63.200 -0.126 0.000 1.053 61 S HN 0.021 8.128 8.310 -0.338 0.000 0.539 62 G N -0.297 108.418 108.800 -0.142 0.000 2.248 62 G HA2 -0.351 3.558 3.960 -0.084 0.000 0.263 62 G HA3 -0.351 3.542 3.960 -0.111 0.000 0.263 62 G C -1.699 173.138 174.900 -0.105 0.000 1.082 62 G CA -0.045 44.989 45.100 -0.110 0.000 0.863 62 G HN 0.378 8.596 8.290 -0.121 0.000 0.495 63 I N -1.043 119.473 120.570 -0.090 0.000 2.365 63 I HA 0.096 4.403 4.170 0.019 -0.126 0.291 63 I C -1.587 174.491 176.117 -0.065 0.000 1.004 63 I CA -0.707 60.573 61.300 -0.033 0.000 1.311 63 I CB 0.713 38.712 38.000 -0.002 0.000 1.401 63 I HN -0.449 7.700 8.210 -0.102 0.000 0.491 64 Q N 7.203 126.948 119.800 -0.091 0.000 3.184 64 Q HA 0.550 4.927 4.340 -0.092 -0.092 0.236 64 Q C -1.663 174.242 176.000 -0.158 0.000 1.038 64 Q CA -1.931 53.797 55.803 -0.126 0.000 0.857 64 Q CB 4.302 32.932 28.738 -0.180 0.000 1.957 64 Q HN 0.366 8.585 8.270 -0.084 0.000 0.453 65 R N -2.495 117.937 120.500 -0.113 0.000 3.321 65 R HA 0.403 4.993 4.340 0.123 -0.177 0.285 65 R C -1.348 174.985 176.300 0.055 0.000 1.149 65 R CA 0.053 56.130 56.100 -0.038 0.000 1.191 65 R CB 2.159 32.294 30.300 -0.277 0.000 1.276 65 R HN 0.608 8.793 8.270 -0.142 0.000 0.429 70 E N -0.085 120.204 120.200 0.149 0.000 2.283 70 E HA 0.205 4.627 4.350 0.120 0.000 0.271 70 E C -1.800 174.970 176.600 0.284 0.000 1.031 70 E CA -0.138 56.364 56.400 0.171 0.000 0.868 70 E CB 1.499 31.238 29.700 0.065 0.000 1.094 70 E HN -0.595 7.836 8.360 0.171 0.031 0.401 71 D N 0.875 121.422 120.400 0.244 0.000 2.912 71 D HA 0.055 4.905 4.640 0.349 0.000 0.170 71 D C -1.068 175.419 176.300 0.312 0.000 1.484 71 D CA 0.977 55.140 54.000 0.272 0.000 1.542 71 D CB 2.436 43.315 40.800 0.131 0.000 1.344 71 D HN 0.106 8.571 8.370 0.158 0.000 0.222 72 N N 1.291 120.086 118.700 0.158 0.000 2.401 72 N HA 0.142 5.105 4.740 0.158 -0.128 0.255 72 N C 2.179 177.690 175.510 0.001 0.000 1.110 72 N CA -0.369 52.744 53.050 0.105 0.000 0.949 72 N CB 0.379 38.906 38.487 0.067 0.000 1.110 72 N HN -0.553 8.164 8.380 0.117 -0.266 0.490 73 I N 0.367 120.851 120.570 -0.144 0.000 3.176 73 I HA -0.105 4.053 4.170 -0.279 -0.156 0.275 73 I C -0.323 175.708 176.117 -0.143 0.000 1.298 73 I CA 1.420 62.537 61.300 -0.305 0.000 1.445 73 I CB -0.707 36.865 38.000 -0.712 0.000 1.075 73 I HN 0.492 8.629 8.210 -0.121 0.000 0.482 74 N N -2.396 116.266 118.700 -0.064 0.000 2.205 74 N HA 0.116 4.839 4.740 -0.028 0.000 0.201 74 N C -0.874 174.641 175.510 0.009 0.000 1.128 74 N CA 0.108 53.146 53.050 -0.021 0.000 0.867 74 N CB 2.014 40.498 38.487 -0.005 0.000 0.996 74 N HN -0.068 8.565 8.380 -0.044 -0.279 0.503 75 V N 0.338 120.261 119.914 0.016 0.000 2.656 75 V HA 0.049 4.184 4.120 0.024 0.000 0.307 75 V C -1.374 174.738 176.094 0.030 0.000 1.051 75 V CA -1.096 61.219 62.300 0.024 0.000 0.893 75 V CB 3.083 34.919 31.823 0.023 0.000 0.999 75 V HN -0.839 7.403 8.190 0.008 -0.047 0.426 76 V N 7.432 127.359 119.914 0.022 0.000 2.389 76 V HA -0.154 4.192 4.120 0.008 -0.221 0.264 76 V C 0.107 176.194 176.094 -0.012 0.000 1.049 76 V CA 0.514 62.812 62.300 -0.003 0.000 0.932 76 V CB -0.129 31.672 31.823 -0.038 0.000 1.011 76 V HN 0.289 8.490 8.190 0.019 0.000 0.475 77 E N 7.983 128.179 120.200 -0.008 0.000 2.473 77 E HA 0.122 4.471 4.350 -0.003 0.000 0.204 77 E C -0.173 176.418 176.600 -0.016 0.000 0.994 77 E CA -0.363 56.035 56.400 -0.003 0.000 0.945 77 E CB 0.744 30.452 29.700 0.015 0.000 0.990 77 E HN 0.256 9.034 8.360 -0.003 -0.420 0.493 78 G N -0.012 108.768 108.800 -0.034 0.000 2.576 78 G HA2 -0.220 3.699 3.960 -0.067 0.000 0.686 78 G HA3 -0.220 3.720 3.960 -0.032 0.000 0.686 78 G C -1.695 173.185 174.900 -0.034 0.000 1.242 78 G CA -0.712 44.362 45.100 -0.044 0.000 0.819 78 G HN -0.462 8.063 8.290 -0.043 -0.261 0.655 79 N N -3.847 114.828 118.700 -0.042 0.000 2.955 79 N HA -0.258 4.468 4.740 -0.023 0.000 0.199 79 N C -0.909 174.584 175.510 -0.027 0.000 0.939 79 N CA 1.305 54.342 53.050 -0.023 0.000 1.028 79 N CB -0.290 38.198 38.487 0.002 0.000 1.000 79 N HN 0.157 8.504 8.380 -0.055 0.000 0.577 80 E N -0.840 119.321 120.200 -0.065 0.000 2.383 80 E HA 0.138 4.743 4.350 0.026 -0.239 0.264 80 E C -0.123 176.395 176.600 -0.136 0.000 1.050 80 E CA 0.744 57.100 56.400 -0.074 0.000 0.896 80 E CB 0.473 30.056 29.700 -0.196 0.000 0.982 80 E HN -0.186 8.022 8.360 -0.084 0.101 0.424 81 Q N 1.457 121.251 119.800 -0.010 0.000 2.274 81 Q HA 0.271 4.557 4.340 -0.089 0.000 0.268 81 Q C -1.567 174.584 176.000 0.251 0.000 1.015 81 Q CA -1.129 54.682 55.803 0.012 0.000 0.775 81 Q CB 3.113 31.871 28.738 0.034 0.000 1.256 81 Q HN 0.267 8.604 8.270 0.111 0.000 0.442 82 F N 3.597 123.526 119.950 -0.034 0.000 2.402 82 F HA 0.423 5.091 4.527 -0.050 -0.170 0.355 82 F C -0.257 175.519 175.800 -0.041 0.000 1.123 82 F CA -2.903 55.071 58.000 -0.043 0.000 1.021 82 F CB 0.914 39.887 39.000 -0.045 0.000 1.160 82 F HN 0.389 8.736 8.300 0.079 0.000 0.451 83 I N 4.202 124.841 120.570 0.116 0.000 2.582 83 I HA 0.248 4.444 4.170 0.043 0.000 0.292 83 I C -1.311 174.800 176.117 -0.009 0.000 1.066 83 I CA -1.383 59.940 61.300 0.038 0.000 1.053 83 I CB 3.975 41.984 38.000 0.015 0.000 1.241 83 I HN 0.851 9.115 8.210 0.090 0.000 0.421 84 S N 5.728 121.416 115.700 -0.020 0.000 2.592 84 S HA 0.083 4.522 4.470 -0.052 0.000 0.271 84 S C -0.495 174.067 174.600 -0.062 0.000 1.326 84 S CA 0.678 58.852 58.200 -0.043 0.000 1.024 84 S CB 1.003 64.180 63.200 -0.038 0.000 0.921 84 S HN 0.433 8.736 8.310 -0.010 0.000 0.527 85 A N 3.390 126.169 122.820 -0.068 0.000 2.354 85 A HA 0.167 4.527 4.320 -0.105 -0.103 0.269 85 A C -0.280 177.253 177.584 -0.085 0.000 1.109 85 A CA -0.293 51.694 52.037 -0.084 0.000 0.800 85 A CB 0.658 19.618 19.000 -0.066 0.000 1.045 85 A HN -0.173 7.939 8.150 -0.064 0.000 0.489 86 S N 3.251 118.881 115.700 -0.118 0.000 2.427 86 S HA 0.063 4.488 4.470 -0.074 0.000 0.224 86 S C 0.408 174.964 174.600 -0.074 0.000 1.047 86 S CA 1.374 59.514 58.200 -0.101 0.000 0.953 86 S CB 1.008 64.124 63.200 -0.140 0.000 0.824 86 S HN 0.775 8.873 8.310 -0.164 0.113 0.502 87 K N 0.100 120.447 120.400 -0.088 0.000 2.551 87 K HA 0.273 4.606 4.320 0.022 0.000 0.269 87 K C -2.388 174.229 176.600 0.028 0.000 0.949 87 K CA -0.501 55.780 56.287 -0.010 0.000 0.849 87 K CB 3.434 35.938 32.500 0.007 0.000 1.411 87 K HN -0.774 7.387 8.250 -0.149 0.000 0.432 88 S N 1.421 117.195 115.700 0.122 0.000 2.502 88 S HA 0.715 5.458 4.470 0.163 -0.175 0.304 88 S C -0.791 173.941 174.600 0.220 0.000 1.097 88 S CA -0.460 57.857 58.200 0.196 0.000 1.045 88 S CB 2.505 65.874 63.200 0.283 0.000 1.019 88 S HN 0.189 8.586 8.310 0.145 0.000 0.481 89 I N 7.596 128.302 120.570 0.227 0.000 2.405 89 I HA 0.115 4.381 4.170 0.161 0.000 0.280 89 I C -1.562 174.699 176.117 0.240 0.000 1.027 89 I CA -0.835 60.592 61.300 0.213 0.000 1.161 89 I CB 1.376 39.511 38.000 0.225 0.000 1.300 89 I HN 1.058 9.308 8.210 0.246 0.107 0.463 90 V N 7.919 127.914 119.914 0.134 0.000 2.686 90 V HA -0.164 4.005 4.120 0.081 0.000 0.295 90 V C -0.240 175.943 176.094 0.148 0.000 1.055 90 V CA -0.407 61.937 62.300 0.072 0.000 1.050 90 V CB 0.844 32.613 31.823 -0.090 0.000 0.984 90 V HN 0.374 8.603 8.190 0.064 0.000 0.482 91 H N 9.010 128.084 119.070 0.008 0.000 3.034 91 H HA -0.030 4.466 4.556 -0.099 0.000 0.324 91 H C -0.456 174.863 175.328 -0.014 0.000 1.015 91 H CA 0.420 56.370 56.048 -0.163 0.000 1.429 91 H CB 1.573 31.046 29.762 -0.482 0.000 1.429 91 H HN -0.245 8.088 8.280 0.089 0.000 0.585 92 P HA -0.118 4.315 4.420 0.021 0.000 0.218 92 P C -0.378 176.972 177.300 0.084 0.000 1.148 92 P CA 1.510 64.590 63.100 -0.034 0.000 0.822 92 P CB 0.345 32.002 31.700 -0.072 0.000 0.784 93 S N -3.612 112.237 115.700 0.250 0.000 2.622 93 S HA 0.033 4.565 4.470 0.103 0.000 0.236 93 S C -0.596 174.109 174.600 0.174 0.000 0.956 93 S CA 0.026 58.351 58.200 0.207 0.000 0.971 93 S CB 0.298 63.616 63.200 0.196 0.000 0.782 93 S HN -0.430 8.103 8.310 0.417 0.027 0.468 94 Y N 3.748 124.096 120.300 0.081 0.000 2.526 94 Y HA -0.293 4.415 4.550 -0.038 -0.181 0.330 94 Y C -0.915 174.977 175.900 -0.013 0.000 1.156 94 Y CA 0.743 58.845 58.100 0.003 0.000 1.419 94 Y CB 0.819 39.285 38.460 0.010 0.000 1.250 94 Y HN -0.754 7.636 8.280 0.326 0.086 0.540 95 N N 7.569 125.902 118.700 -0.613 0.000 2.479 95 N HA 0.210 4.671 4.740 -0.466 0.000 0.261 95 N C -0.280 174.702 175.510 -0.880 0.000 0.979 95 N CA -1.269 51.436 53.050 -0.575 0.000 0.930 95 N CB 1.708 40.023 38.487 -0.286 0.000 1.172 95 N HN -0.168 7.963 8.380 -0.415 0.000 0.499 96 S N 6.899 122.088 115.700 -0.852 0.000 2.515 96 S HA -0.063 4.030 4.470 -0.628 0.000 0.231 96 S C 0.619 175.037 174.600 -0.303 0.000 0.987 96 S CA 2.253 60.123 58.200 -0.550 0.000 0.936 96 S CB -0.218 62.840 63.200 -0.237 0.000 0.766 96 S HN 0.628 8.539 8.310 -0.664 0.000 0.528 97 N N 1.969 120.495 118.700 -0.289 0.000 2.336 97 N HA 0.003 4.620 4.740 -0.205 0.000 0.177 97 N C 1.001 176.345 175.510 -0.277 0.000 1.018 97 N CA 2.229 55.141 53.050 -0.230 0.000 0.878 97 N CB 0.595 38.975 38.487 -0.178 0.000 0.997 97 N HN 0.309 8.718 8.380 -0.317 -0.220 0.433 98 T N -4.588 109.797 114.554 -0.282 0.000 3.014 98 T HA 0.087 4.225 4.350 -0.354 0.000 0.250 98 T C 0.159 174.654 174.700 -0.341 0.000 1.060 98 T CA 0.522 62.441 62.100 -0.301 0.000 1.040 98 T CB 1.658 70.406 68.868 -0.200 0.000 0.971 98 T HN -0.300 8.067 8.240 -0.277 -0.294 0.497 99 L N -3.622 117.438 121.223 -0.271 0.000 4.351 99 L HA -0.441 3.985 4.340 0.022 -0.073 0.410 99 L C -1.594 175.299 176.870 0.038 0.000 1.150 99 L CA 0.458 55.245 54.840 -0.088 0.000 0.961 99 L CB -3.279 38.676 42.059 -0.174 0.000 2.130 99 L HN -0.033 8.013 8.230 -0.307 0.000 0.787 100 N N -0.583 118.096 118.700 -0.034 0.000 2.530 100 N HA -0.160 4.624 4.740 0.073 0.000 0.273 100 N C 0.006 175.557 175.510 0.068 0.000 1.173 100 N CA 0.573 53.638 53.050 0.026 0.000 0.967 100 N CB 1.263 39.738 38.487 -0.019 0.000 1.109 100 N HN -0.762 7.498 8.380 -0.129 0.043 0.453 101 N N -0.876 117.860 118.700 0.060 0.000 2.756 101 N HA -0.467 4.199 4.740 -0.124 0.000 0.248 101 N C -1.413 174.072 175.510 -0.041 0.000 1.062 101 N CA 1.383 54.374 53.050 -0.098 0.000 0.696 101 N CB -1.474 36.849 38.487 -0.273 0.000 0.946 101 N HN 0.644 9.082 8.380 0.097 0.000 0.548 102 D N -1.006 119.416 120.400 0.037 0.000 2.551 102 D HA 0.052 4.692 4.640 -0.000 0.000 0.223 102 D C -1.686 174.532 176.300 -0.138 0.000 1.144 102 D CA -0.339 53.680 54.000 0.033 0.000 1.025 102 D CB -0.748 40.170 40.800 0.196 0.000 1.085 102 D HN -0.137 8.270 8.370 0.061 0.000 0.506 103 I N 2.192 122.616 120.570 -0.244 0.000 2.802 103 I HA 0.549 4.807 4.170 -0.119 -0.159 0.298 103 I C -3.053 173.028 176.117 -0.061 0.000 1.176 103 I CA -1.498 59.687 61.300 -0.192 0.000 1.025 103 I CB 4.189 41.944 38.000 -0.409 0.000 1.243 103 I HN -0.111 7.902 8.210 -0.259 0.042 0.424 104 M N 6.217 125.849 119.600 0.054 0.000 2.470 104 M HA 0.679 5.469 4.480 0.236 -0.168 0.285 104 M C -2.764 173.664 176.300 0.214 0.000 1.213 104 M CA -1.056 54.338 55.300 0.156 0.000 0.901 104 M CB 4.818 37.467 32.600 0.082 0.000 1.718 104 M HN 0.456 8.772 8.290 0.043 0.000 0.469 105 L N 3.097 124.484 121.223 0.272 0.000 2.334 105 L HA 0.865 5.530 4.340 0.259 -0.169 0.276 105 L C -1.343 175.714 176.870 0.311 0.000 1.014 105 L CA -1.460 53.556 54.840 0.293 0.000 0.815 105 L CB 3.151 45.365 42.059 0.259 0.000 1.268 105 L HN 0.472 8.885 8.230 0.304 0.000 0.428 106 I N 0.901 121.638 120.570 0.279 0.000 2.465 106 I HA 0.630 5.037 4.170 0.085 -0.186 0.291 106 I C -1.601 174.458 176.117 -0.097 0.000 1.014 106 I CA -1.438 59.920 61.300 0.098 0.000 1.093 106 I CB 3.277 41.306 38.000 0.048 0.000 1.267 106 I HN 0.989 9.387 8.210 0.313 0.000 0.431 107 K N 6.458 126.600 120.400 -0.430 0.000 2.159 107 K HA 0.647 4.284 4.320 -1.391 -0.151 0.266 107 K C -1.159 175.146 176.600 -0.490 0.000 0.975 107 K CA -1.828 53.858 56.287 -1.002 0.000 0.865 107 K CB 3.065 34.820 32.500 -1.242 0.000 1.087 107 K HN 0.697 8.784 8.250 -0.270 0.000 0.446 108 L N 4.423 125.387 121.223 -0.431 0.000 2.375 108 L HA 0.213 4.449 4.340 -0.173 0.000 0.271 108 L C 1.774 178.526 176.870 -0.198 0.000 1.107 108 L CA -0.125 54.580 54.840 -0.225 0.000 0.806 108 L CB 0.468 42.438 42.059 -0.147 0.000 1.146 108 L HN 0.843 8.634 8.230 -0.559 0.103 0.447 109 K N 3.215 123.538 120.400 -0.127 0.000 2.057 109 K HA -0.320 3.935 4.320 -0.109 0.000 0.207 109 K C -0.424 176.128 176.600 -0.081 0.000 1.049 109 K CA 2.710 58.940 56.287 -0.096 0.000 0.931 109 K CB 0.396 32.858 32.500 -0.063 0.000 0.714 109 K HN 0.504 8.691 8.250 -0.105 0.000 0.440 110 S N -4.073 111.586 115.700 -0.068 0.000 2.632 110 S HA 0.133 4.573 4.470 -0.050 0.000 0.289 110 S C -1.771 172.800 174.600 -0.048 0.000 1.115 110 S CA -1.032 57.139 58.200 -0.048 0.000 0.889 110 S CB 2.808 65.991 63.200 -0.028 0.000 1.116 110 S HN -0.371 7.900 8.310 -0.065 0.000 0.486 111 A N -0.531 122.271 122.820 -0.031 0.000 2.351 111 A HA 0.175 4.620 4.320 -0.029 -0.142 0.257 111 A C -0.330 177.252 177.584 -0.003 0.000 1.087 111 A CA -0.268 51.759 52.037 -0.017 0.000 0.798 111 A CB 0.628 19.628 19.000 0.000 0.000 1.033 111 A HN 0.200 8.335 8.150 -0.025 0.000 0.488 112 A N 0.185 123.011 122.820 0.009 0.000 2.286 112 A HA 0.247 4.642 4.320 0.013 -0.067 0.286 112 A C -0.563 177.033 177.584 0.020 0.000 1.097 112 A CA -1.410 50.638 52.037 0.018 0.000 0.821 112 A CB 1.491 20.510 19.000 0.032 0.000 1.076 112 A HN 0.375 8.422 8.150 0.013 0.111 0.490 113 S N 0.452 116.163 115.700 0.017 0.000 2.430 113 S HA 0.106 4.586 4.470 0.016 0.000 0.289 113 S C -0.571 174.043 174.600 0.023 0.000 1.143 113 S CA -0.459 57.751 58.200 0.016 0.000 1.067 113 S CB 0.463 63.667 63.200 0.007 0.000 0.964 113 S HN 0.101 8.787 8.310 0.016 -0.366 0.485 114 L N 6.233 127.473 121.223 0.028 0.000 2.375 114 L HA 0.224 4.716 4.340 0.040 -0.127 0.271 114 L C -0.406 176.482 176.870 0.029 0.000 1.107 114 L CA -0.267 54.594 54.840 0.036 0.000 0.806 114 L CB 0.631 42.716 42.059 0.043 0.000 1.146 114 L HN 0.224 8.470 8.230 0.027 0.000 0.447 115 N N 2.956 121.675 118.700 0.031 0.000 3.588 115 N HA 0.165 4.920 4.740 0.024 0.000 0.340 115 N C -1.377 174.151 175.510 0.030 0.000 1.609 115 N CA -0.636 52.429 53.050 0.025 0.000 0.811 115 N CB 1.170 39.668 38.487 0.018 0.000 2.184 115 N HN 0.513 8.808 8.380 0.037 0.107 0.577 116 S N -3.186 112.530 115.700 0.026 0.000 2.489 116 S HA -0.120 4.371 4.470 0.035 0.000 0.228 116 S C 0.510 175.126 174.600 0.028 0.000 0.995 116 S CA 2.177 60.394 58.200 0.028 0.000 0.934 116 S CB 0.130 63.343 63.200 0.022 0.000 0.771 116 S HN 0.006 8.328 8.310 0.021 0.000 0.522 117 R N -1.185 119.330 120.500 0.024 0.000 2.265 117 R HA 0.210 4.559 4.340 0.015 0.000 0.194 117 R C -1.178 175.138 176.300 0.027 0.000 0.931 117 R CA -0.443 55.669 56.100 0.020 0.000 1.032 117 R CB 1.080 31.391 30.300 0.017 0.000 0.980 117 R HN -0.038 8.523 8.270 0.023 -0.277 0.497 118 V N -1.409 118.527 119.914 0.037 0.000 2.447 118 V HA 0.303 4.662 4.120 0.052 -0.207 0.292 118 V C -2.221 173.912 176.094 0.064 0.000 1.021 118 V CA -0.991 61.340 62.300 0.051 0.000 0.850 118 V CB 2.613 34.464 31.823 0.047 0.000 1.005 118 V HN -0.526 7.854 8.190 0.036 -0.169 0.426 119 A N 6.829 129.703 122.820 0.090 0.000 2.556 119 A HA 0.603 4.973 4.320 0.084 0.000 0.294 119 A C -2.976 174.697 177.584 0.148 0.000 1.091 119 A CA -1.419 50.681 52.037 0.105 0.000 0.704 119 A CB 2.992 22.056 19.000 0.106 0.000 1.300 119 A HN 0.120 8.215 8.150 0.099 0.115 0.406 120 S N -0.767 115.004 115.700 0.120 0.000 2.672 120 S HA 0.653 5.354 4.470 0.155 -0.138 0.276 120 S C -0.680 173.971 174.600 0.085 0.000 1.207 120 S CA -2.219 56.053 58.200 0.119 0.000 1.002 120 S CB 1.397 64.648 63.200 0.086 0.000 0.998 120 S HN -0.033 8.333 8.310 0.093 0.000 0.542 121 I N 0.391 120.971 120.570 0.016 0.000 2.648 121 I HA 0.234 4.334 4.170 -0.116 0.000 0.304 121 I C -1.540 174.529 176.117 -0.079 0.000 1.009 121 I CA -1.911 59.306 61.300 -0.138 0.000 1.114 121 I CB 3.168 40.885 38.000 -0.472 0.000 1.293 121 I HN 0.160 8.394 8.210 0.041 0.000 0.449 122 S N 5.377 121.027 115.700 -0.082 0.000 2.610 122 S HA 0.289 4.744 4.470 -0.025 0.000 0.273 122 S C -0.512 174.061 174.600 -0.045 0.000 1.274 122 S CA -1.040 57.133 58.200 -0.045 0.000 1.023 122 S CB 0.790 63.970 63.200 -0.035 0.000 0.962 122 S HN 0.272 8.519 8.310 -0.105 0.000 0.523 123 L N 2.604 123.815 121.223 -0.019 0.000 2.418 123 L HA 0.213 4.554 4.340 0.002 0.000 0.265 123 L C -1.149 175.718 176.870 -0.005 0.000 1.143 123 L CA -2.027 52.813 54.840 -0.001 0.000 0.809 123 L CB 0.209 42.276 42.059 0.013 0.000 1.124 123 L HN 0.244 8.465 8.230 -0.015 0.000 0.456 124 P HA 0.116 4.526 4.420 -0.017 0.000 0.276 124 P C -1.183 176.117 177.300 -0.001 0.000 1.244 124 P CA -0.646 62.450 63.100 -0.006 0.000 0.801 124 P CB 0.734 32.430 31.700 -0.007 0.000 1.006 128 c N 0.510 119.084 118.600 -0.043 0.000 2.580 128 c HA 0.052 4.582 4.570 -0.067 0.000 0.371 128 c C 0.008 174.039 174.090 -0.098 0.000 1.308 128 c CA -0.635 55.652 56.329 -0.069 0.000 2.428 128 c CB 0.404 42.877 42.510 -0.062 0.000 2.529 128 c HN -0.038 8.170 8.230 -0.037 0.000 0.657 129 A N 0.843 123.568 122.820 -0.158 0.000 2.293 129 A HA 0.116 4.361 4.320 -0.124 0.000 0.302 129 A C -0.899 176.582 177.584 -0.172 0.000 1.119 129 A CA -0.411 51.523 52.037 -0.172 0.000 0.823 129 A CB 1.242 20.101 19.000 -0.235 0.000 1.097 129 A HN 0.234 8.264 8.150 -0.201 0.000 0.491 133 G N 2.162 110.925 108.800 -0.062 0.000 2.268 133 G HA2 -0.298 3.630 3.960 -0.053 0.000 0.240 133 G HA3 -0.298 3.635 3.960 -0.044 0.000 0.240 133 G C 0.301 175.164 174.900 -0.061 0.000 1.010 133 G CA -0.093 44.975 45.100 -0.054 0.000 0.618 133 G HN 0.799 8.941 8.290 -0.064 0.110 0.516 134 T N 3.877 118.384 114.554 -0.078 0.000 2.934 134 T HA -0.203 4.111 4.350 -0.061 0.000 0.306 134 T C -0.993 173.664 174.700 -0.072 0.000 1.042 134 T CA 2.506 64.559 62.100 -0.078 0.000 1.145 134 T CB 0.719 69.522 68.868 -0.109 0.000 0.982 134 T HN -0.479 7.619 8.240 -0.091 0.088 0.544 135 Q N 5.773 125.544 119.800 -0.048 0.000 2.256 135 Q HA 0.197 4.629 4.340 -0.040 -0.116 0.254 135 Q C -0.955 175.029 176.000 -0.027 0.000 0.916 135 Q CA 0.054 55.839 55.803 -0.030 0.000 0.932 135 Q CB 1.517 30.252 28.738 -0.005 0.000 1.207 135 Q HN 0.187 8.432 8.270 -0.041 0.000 0.426 136 c N 3.624 122.209 118.600 -0.024 0.000 3.044 136 c HA 0.635 5.301 4.570 -0.015 -0.105 0.315 136 c C -1.895 172.202 174.090 0.011 0.000 1.320 136 c CA -1.642 54.675 56.329 -0.020 0.000 1.582 136 c CB 4.335 46.814 42.510 -0.052 0.000 2.039 136 c HN 0.807 8.912 8.230 -0.026 0.109 0.466 137 L N 0.738 121.973 121.223 0.021 0.000 2.325 137 L HA 0.859 5.410 4.340 0.052 -0.180 0.281 137 L C -2.174 174.708 176.870 0.020 0.000 1.004 137 L CA -1.325 53.541 54.840 0.043 0.000 0.823 137 L CB 3.257 45.364 42.059 0.078 0.000 1.236 137 L HN 0.663 8.793 8.230 0.015 0.108 0.415 138 I N 7.640 128.207 120.570 -0.005 0.000 2.441 138 I HA 0.843 5.242 4.170 -0.000 -0.230 0.295 138 I C -1.326 174.756 176.117 -0.059 0.000 0.994 138 I CA -1.479 59.811 61.300 -0.017 0.000 1.144 138 I CB 2.318 40.309 38.000 -0.015 0.000 1.314 138 I HN 0.837 9.047 8.210 0.001 0.000 0.445 139 S N 2.810 118.468 115.700 -0.070 0.000 2.588 139 S HA 1.009 5.504 4.470 -0.231 -0.164 0.275 139 S C -1.151 173.325 174.600 -0.206 0.000 1.130 139 S CA -1.769 56.316 58.200 -0.192 0.000 0.855 139 S CB 3.730 66.780 63.200 -0.250 0.000 1.116 139 S HN -0.215 8.085 8.310 -0.017 0.000 0.472 140 G N -0.897 107.686 108.800 -0.361 0.000 2.321 140 G HA2 0.129 3.819 3.960 -0.449 0.000 0.298 140 G HA3 0.129 4.175 3.960 -0.068 -0.127 0.298 140 G C -2.106 172.575 174.900 -0.365 0.000 1.385 140 G CA 0.511 45.419 45.100 -0.320 0.000 0.856 140 G HN 0.292 8.315 8.290 -0.446 0.000 0.584 141 W N 1.144 122.404 121.300 -0.068 0.000 3.151 141 W HA 0.351 4.963 4.660 -0.080 0.000 0.424 141 W C -0.155 176.418 176.519 0.089 0.000 1.012 141 W CA -0.922 56.352 57.345 -0.119 0.000 2.018 141 W CB -0.134 29.033 29.460 -0.490 0.000 1.087 141 W HN 0.579 8.926 8.180 0.280 0.000 0.740 142 G N 0.729 109.709 108.800 0.299 0.000 2.621 142 G HA2 -0.040 4.260 3.960 0.555 0.000 0.271 142 G HA3 -0.040 4.254 3.960 0.254 -0.181 0.271 142 G C -1.011 173.944 174.900 0.092 0.000 1.236 142 G CA -0.784 44.509 45.100 0.322 0.000 0.958 142 G HN -0.471 8.074 8.290 0.189 -0.141 0.512 143 N N -0.425 118.194 118.700 -0.134 0.000 2.353 143 N HA -0.282 4.147 4.740 -0.854 -0.201 0.248 143 N C 0.877 176.273 175.510 -0.191 0.000 1.240 143 N CA 0.955 53.721 53.050 -0.473 0.000 0.862 143 N CB 0.598 38.809 38.487 -0.459 0.000 1.086 143 N HN 0.187 8.590 8.380 0.039 0.000 0.453 144 T N 0.171 114.616 114.554 -0.182 0.000 3.092 144 T HA 0.190 4.614 4.350 -0.063 -0.112 0.258 144 T C 0.085 174.744 174.700 -0.069 0.000 1.031 144 T CA 0.226 62.274 62.100 -0.087 0.000 0.925 144 T CB 1.300 70.134 68.868 -0.058 0.000 1.036 144 T HN 0.356 8.445 8.240 -0.252 0.000 0.544 145 K N 2.235 122.582 120.400 -0.089 0.000 2.270 145 K HA 0.285 4.584 4.320 -0.036 0.000 0.255 145 K C -0.552 176.026 176.600 -0.038 0.000 0.936 145 K CA -1.180 55.075 56.287 -0.053 0.000 0.809 145 K CB 2.703 35.171 32.500 -0.053 0.000 1.131 145 K HN -0.563 7.845 8.250 -0.138 -0.241 0.427 146 S N 1.050 116.741 115.700 -0.016 0.000 2.406 146 S HA -0.132 4.340 4.470 0.003 0.000 0.224 146 S C 0.146 174.748 174.600 0.004 0.000 1.030 146 S CA 2.041 60.241 58.200 0.000 0.000 0.958 146 S CB 0.712 63.918 63.200 0.009 0.000 0.811 146 S HN 0.134 8.437 8.310 -0.013 0.000 0.489 147 S N 2.283 117.983 115.700 0.000 0.000 2.457 147 S HA 0.202 4.679 4.470 0.010 0.000 0.216 147 S C -0.936 173.663 174.600 -0.000 0.000 1.392 147 S CA -0.331 57.871 58.200 0.005 0.000 1.102 147 S CB -0.270 62.934 63.200 0.006 0.000 1.114 147 S HN -0.406 7.884 8.310 -0.004 0.018 0.484 148 G N 1.873 110.672 108.800 -0.002 0.000 2.346 148 G HA2 -0.158 3.808 3.960 0.010 0.000 0.294 148 G HA3 -0.158 3.798 3.960 -0.006 0.000 0.294 148 G C -2.809 172.077 174.900 -0.022 0.000 1.294 148 G CA -0.315 44.783 45.100 -0.003 0.000 0.962 148 G HN -0.465 7.826 8.290 0.002 0.000 0.508 149 T N -3.921 110.622 114.554 -0.018 0.000 2.930 149 T HA 0.142 4.515 4.350 -0.151 -0.113 0.313 149 T C -1.591 173.070 174.700 -0.065 0.000 1.019 149 T CA -0.806 61.266 62.100 -0.047 0.000 1.004 149 T CB 1.422 70.344 68.868 0.090 0.000 0.987 149 T HN -0.177 8.064 8.240 0.002 0.000 0.456 150 S N 4.592 120.160 115.700 -0.219 0.000 2.736 150 S HA 0.251 4.741 4.470 0.033 0.000 0.285 150 S C -2.206 172.270 174.600 -0.208 0.000 1.163 150 S CA -0.647 57.497 58.200 -0.093 0.000 1.025 150 S CB 1.458 64.625 63.200 -0.055 0.000 1.030 150 S HN 0.648 9.138 8.310 -0.391 -0.414 0.486 151 Y N 5.283 125.624 120.300 0.069 0.000 2.360 151 Y HA 0.277 4.886 4.550 0.098 0.000 0.337 151 Y C -0.935 175.015 175.900 0.083 0.000 1.039 151 Y CA -2.876 55.279 58.100 0.091 0.000 1.109 151 Y CB 1.298 39.825 38.460 0.112 0.000 1.201 151 Y HN 0.141 8.603 8.280 0.304 0.000 0.458 152 P HA 0.276 4.771 4.420 0.126 0.000 0.278 152 P C -1.572 175.851 177.300 0.206 0.000 1.258 152 P CA -1.091 62.107 63.100 0.165 0.000 0.811 152 P CB 1.895 33.664 31.700 0.113 0.000 1.063 153 D N -2.404 118.094 120.400 0.162 0.000 2.262 153 D HA -0.040 4.665 4.640 0.108 0.000 0.212 153 D C -0.689 175.755 176.300 0.239 0.000 0.964 153 D CA 1.798 55.884 54.000 0.143 0.000 0.875 153 D CB 0.874 41.728 40.800 0.091 0.000 0.996 153 D HN 0.409 8.856 8.370 0.128 0.000 0.497 154 V N -8.061 111.993 119.914 0.234 0.000 2.975 154 V HA 0.600 5.219 4.120 0.420 -0.247 0.318 154 V C -0.778 175.386 176.094 0.116 0.000 1.077 154 V CA -2.840 59.618 62.300 0.263 0.000 1.000 154 V CB 2.079 33.972 31.823 0.116 0.000 1.066 154 V HN -0.926 7.361 8.190 0.161 0.000 0.452 155 L N 1.191 122.354 121.223 -0.101 0.000 2.455 155 L HA -0.043 3.499 4.340 -1.330 0.000 0.272 155 L C -0.272 176.347 176.870 -0.417 0.000 1.174 155 L CA 0.818 55.239 54.840 -0.698 0.000 0.869 155 L CB 0.699 42.322 42.059 -0.726 0.000 1.130 155 L HN -0.048 8.410 8.230 0.099 -0.169 0.474 156 K N 5.316 125.444 120.400 -0.455 0.000 2.208 156 K HA 0.674 4.956 4.320 -0.327 -0.159 0.247 156 K C -1.177 175.166 176.600 -0.429 0.000 0.953 156 K CA -2.441 53.636 56.287 -0.351 0.000 0.837 156 K CB 2.594 34.953 32.500 -0.234 0.000 1.131 156 K HN -0.322 7.580 8.250 -0.580 0.000 0.431 157 c N -0.573 117.674 118.600 -0.589 0.000 2.779 157 c HA 0.988 5.491 4.570 -0.406 -0.177 0.314 157 c C -1.821 171.908 174.090 -0.602 0.000 1.231 157 c CA -0.832 55.097 56.329 -0.666 0.000 1.652 157 c CB 3.794 45.739 42.510 -0.942 0.000 2.198 157 c HN 0.779 8.600 8.230 -0.682 0.000 0.483 158 L N -0.076 121.002 121.223 -0.242 0.000 2.526 158 L HA 0.369 4.774 4.340 0.108 0.000 0.263 158 L C -2.485 174.458 176.870 0.121 0.000 0.943 158 L CA 0.210 55.061 54.840 0.018 0.000 0.859 158 L CB 4.436 46.518 42.059 0.039 0.000 1.313 158 L HN 0.667 8.785 8.230 -0.186 0.000 0.406 159 K N 5.802 126.338 120.400 0.225 0.000 2.185 159 K HA 0.863 5.473 4.320 0.129 -0.212 0.269 159 K C -0.951 175.779 176.600 0.217 0.000 0.987 159 K CA -1.463 54.935 56.287 0.185 0.000 0.865 159 K CB 1.266 33.878 32.500 0.186 0.000 1.090 159 K HN 0.324 8.744 8.250 0.283 0.000 0.450 160 A N 4.089 126.971 122.820 0.104 0.000 2.549 160 A HA 0.635 4.935 4.320 -0.033 0.000 0.297 160 A C -3.449 174.070 177.584 -0.107 0.000 1.061 160 A CA -2.528 49.500 52.037 -0.016 0.000 0.690 160 A CB 3.080 22.077 19.000 -0.006 0.000 1.287 160 A HN 0.841 9.024 8.150 0.055 0.000 0.402 161 P HA 0.817 5.393 4.420 -0.097 -0.215 0.285 161 P C -1.152 176.082 177.300 -0.110 0.000 1.269 161 P CA -1.589 61.425 63.100 -0.143 0.000 0.844 161 P CB 1.757 33.368 31.700 -0.148 0.000 1.094 162 I N -0.254 120.268 120.570 -0.079 0.000 2.441 162 I HA 0.018 4.354 4.170 0.078 -0.120 0.287 162 I C 0.146 176.251 176.117 -0.021 0.000 1.049 162 I CA 0.223 61.505 61.300 -0.029 0.000 1.381 162 I CB 0.367 38.271 38.000 -0.161 0.000 1.409 162 I HN 0.045 8.198 8.210 -0.094 0.000 0.523 163 L N 6.349 127.595 121.223 0.038 0.000 2.431 163 L HA 0.271 4.602 4.340 -0.016 0.000 0.260 163 L C 0.017 176.904 176.870 0.028 0.000 1.098 163 L CA -0.942 53.908 54.840 0.018 0.000 0.800 163 L CB 0.588 42.667 42.059 0.032 0.000 1.210 163 L HN 0.188 8.379 8.230 0.115 0.109 0.465 164 S N -1.781 113.928 115.700 0.016 0.000 2.603 164 S HA -0.059 4.416 4.470 0.009 0.000 0.268 164 S C 0.481 175.105 174.600 0.040 0.000 1.317 164 S CA -1.015 57.195 58.200 0.017 0.000 1.012 164 S CB 1.870 65.074 63.200 0.007 0.000 0.926 164 S HN -0.058 8.256 8.310 0.007 0.000 0.539 165 D N 1.792 122.217 120.400 0.041 0.000 2.144 165 D HA -0.241 4.447 4.640 0.081 0.000 0.199 165 D C 1.751 178.081 176.300 0.051 0.000 0.984 165 D CA 3.239 57.274 54.000 0.058 0.000 0.834 165 D CB -0.290 40.540 40.800 0.049 0.000 0.955 165 D HN 0.567 8.954 8.370 0.028 0.000 0.465 166 S N -1.308 114.413 115.700 0.034 0.000 2.368 166 S HA -0.308 4.182 4.470 0.033 0.000 0.225 166 S C 2.105 176.721 174.600 0.026 0.000 1.030 166 S CA 3.673 61.890 58.200 0.028 0.000 0.999 166 S CB -0.204 63.007 63.200 0.018 0.000 0.844 166 S HN 0.021 8.341 8.310 0.027 0.006 0.459 167 S N 3.183 118.896 115.700 0.023 0.000 2.368 167 S HA -0.261 4.211 4.470 0.002 0.000 0.224 167 S C 1.815 176.427 174.600 0.019 0.000 1.029 167 S CA 3.949 62.156 58.200 0.012 0.000 0.988 167 S CB -0.156 63.048 63.200 0.008 0.000 0.838 167 S HN -0.599 7.725 8.310 0.023 0.000 0.462 168 c N 3.395 122.026 118.600 0.051 0.000 2.436 168 c HA -0.332 4.292 4.570 0.090 0.000 0.277 168 c C 1.756 175.916 174.090 0.117 0.000 1.241 168 c CA 2.790 59.177 56.329 0.096 0.000 1.721 168 c CB -1.711 40.872 42.510 0.122 0.000 2.043 168 c HN -0.088 8.175 8.230 0.054 0.000 0.472 169 K N -1.134 119.326 120.400 0.099 0.000 2.147 169 K HA -0.344 4.066 4.320 0.150 0.000 0.205 169 K C 2.409 179.050 176.600 0.069 0.000 1.049 169 K CA 3.048 59.397 56.287 0.103 0.000 0.936 169 K CB -0.309 32.238 32.500 0.078 0.000 0.722 169 K HN 0.159 8.459 8.250 0.084 0.000 0.446 170 S N -2.631 113.087 115.700 0.031 0.000 2.428 170 S HA -0.173 4.303 4.470 0.012 0.000 0.230 170 S C 0.861 175.433 174.600 -0.047 0.000 1.014 170 S CA 2.231 60.431 58.200 0.000 0.000 0.957 170 S CB -0.132 63.063 63.200 -0.008 0.000 0.784 170 S HN -0.221 8.004 8.310 0.031 0.103 0.499 171 A N -0.444 122.317 122.820 -0.098 0.000 1.975 171 A HA -0.037 4.133 4.320 -0.250 0.000 0.215 171 A C -0.387 176.937 177.584 -0.433 0.000 1.170 171 A CA 1.581 53.433 52.037 -0.309 0.000 0.656 171 A CB 1.055 19.784 19.000 -0.452 0.000 0.821 171 A HN -0.642 7.334 8.150 -0.047 0.146 0.449 172 Y N -5.107 115.229 120.300 0.060 0.000 2.495 172 Y HA 0.504 5.124 4.550 0.116 0.000 0.362 172 Y C -2.459 173.502 175.900 0.102 0.000 0.956 172 Y CA -3.677 54.491 58.100 0.114 0.000 1.127 172 Y CB -0.189 38.386 38.460 0.191 0.000 1.173 172 Y HN -0.395 7.927 8.280 0.069 0.000 0.639 173 P HA -0.088 4.516 4.420 0.110 -0.117 0.264 173 P C 0.846 178.216 177.300 0.117 0.000 1.193 173 P CA 1.095 64.263 63.100 0.115 0.000 0.763 173 P CB 0.147 31.887 31.700 0.066 0.000 0.810 174 G N 3.786 112.644 108.800 0.096 0.000 2.189 174 G HA2 -0.367 3.626 3.960 0.056 0.000 0.267 174 G HA3 -0.367 3.624 3.960 0.053 0.000 0.267 174 G C 0.174 175.118 174.900 0.074 0.000 0.975 174 G CA 0.654 45.796 45.100 0.070 0.000 0.644 174 G HN 0.498 8.843 8.290 0.092 0.000 0.537 175 Q N -2.177 117.703 119.800 0.133 0.000 2.217 175 Q HA 0.087 4.446 4.340 0.031 0.000 0.217 175 Q C -0.536 175.580 176.000 0.192 0.000 0.844 175 Q CA -0.412 55.465 55.803 0.123 0.000 0.957 175 Q CB 1.388 30.219 28.738 0.155 0.000 1.127 175 Q HN -0.243 8.062 8.270 0.182 0.074 0.503 176 I N 0.084 120.771 120.570 0.195 0.000 2.331 176 I HA 0.028 4.341 4.170 0.238 0.000 0.292 176 I C -0.142 176.049 176.117 0.124 0.000 0.998 176 I CA -2.069 59.343 61.300 0.187 0.000 1.267 176 I CB -0.664 37.441 38.000 0.176 0.000 1.386 176 I HN -0.437 7.878 8.210 0.174 0.000 0.476 177 T N 2.236 116.860 114.554 0.117 0.000 2.922 177 T HA 0.349 4.736 4.350 0.063 0.000 0.281 177 T C 0.654 175.403 174.700 0.083 0.000 1.005 177 T CA -2.138 60.009 62.100 0.079 0.000 0.982 177 T CB 2.532 71.437 68.868 0.062 0.000 1.158 177 T HN -0.394 7.933 8.240 0.144 0.000 0.566 178 S N -2.182 113.553 115.700 0.057 0.000 2.603 178 S HA -0.195 4.315 4.470 0.066 0.000 0.229 178 S C -0.008 174.631 174.600 0.066 0.000 0.972 178 S CA 1.746 59.978 58.200 0.053 0.000 0.935 178 S CB -0.197 63.014 63.200 0.019 0.000 0.769 178 S HN 0.253 8.587 8.310 0.040 0.000 0.536 179 N N 0.340 119.092 118.700 0.087 0.000 2.279 179 N HA 0.134 4.938 4.740 0.106 0.000 0.226 179 N C -1.811 173.819 175.510 0.200 0.000 1.126 179 N CA -0.427 52.705 53.050 0.137 0.000 0.846 179 N CB 0.832 39.422 38.487 0.170 0.000 1.050 179 N HN -0.619 7.724 8.380 0.084 0.088 0.502 180 M N -1.326 118.381 119.600 0.177 0.000 2.593 180 M HA 0.896 5.662 4.480 0.105 -0.223 0.290 180 M C -2.461 173.963 176.300 0.207 0.000 1.244 180 M CA -0.424 54.961 55.300 0.141 0.000 0.857 180 M CB 5.283 37.946 32.600 0.105 0.000 1.738 180 M HN -0.720 7.576 8.290 0.157 0.089 0.461 181 F N -6.484 113.516 119.950 0.083 0.000 2.668 181 F HA 0.609 5.171 4.527 0.059 0.000 0.309 181 F C -2.841 173.017 175.800 0.096 0.000 1.117 181 F CA -1.528 56.518 58.000 0.077 0.000 0.951 181 F CB 2.216 41.258 39.000 0.070 0.000 1.323 181 F HN 0.147 8.311 8.300 -0.226 0.000 0.451 182 c N -0.298 118.474 118.600 0.286 0.000 2.397 182 c HA 1.010 5.821 4.570 0.073 -0.198 0.343 182 c C -1.070 173.222 174.090 0.336 0.000 1.188 182 c CA -1.047 55.396 56.329 0.191 0.000 1.992 182 c CB 2.989 45.576 42.510 0.128 0.000 2.358 182 c HN 0.894 9.331 8.230 0.345 0.000 0.518 183 A N 2.514 125.513 122.820 0.298 0.000 2.497 183 A HA 0.646 5.169 4.320 0.100 -0.143 0.280 183 A C -2.319 175.326 177.584 0.102 0.000 1.065 183 A CA -0.224 51.914 52.037 0.168 0.000 0.781 183 A CB 2.620 21.661 19.000 0.069 0.000 1.289 183 A HN 0.365 8.705 8.150 0.317 0.000 0.415 184 Y N 2.724 123.055 120.300 0.052 0.000 2.365 184 Y HA 0.061 4.629 4.550 0.031 0.000 0.340 184 Y C 0.979 176.893 175.900 0.023 0.000 1.016 184 Y CA -0.215 57.905 58.100 0.034 0.000 1.196 184 Y CB 0.666 39.144 38.460 0.030 0.000 1.167 184 Y HN 0.353 8.768 8.280 0.225 0.000 0.509 185 L N 3.775 125.067 121.223 0.116 0.000 2.362 185 L HA -0.284 4.080 4.340 0.041 0.000 0.219 185 L C 0.967 177.877 176.870 0.067 0.000 1.134 185 L CA 2.035 56.912 54.840 0.061 0.000 0.807 185 L CB -0.445 41.630 42.059 0.026 0.000 0.927 185 L HN 0.536 8.820 8.230 0.090 0.000 0.447 186 E N -2.142 118.118 120.200 0.101 0.000 2.435 186 E HA -0.088 4.288 4.350 0.043 0.000 0.195 186 E C 0.763 177.395 176.600 0.054 0.000 1.029 186 E CA 0.069 56.507 56.400 0.064 0.000 0.865 186 E CB -0.386 29.350 29.700 0.059 0.000 0.833 186 E HN 0.067 8.465 8.360 0.154 0.055 0.510 187 G N 0.873 109.722 108.800 0.081 0.000 3.405 187 G HA2 -0.377 3.651 3.960 0.078 0.000 0.676 187 G HA3 -0.377 3.630 3.960 0.040 -0.024 0.676 187 G C -0.822 174.099 174.900 0.034 0.000 1.039 187 G CA -0.184 44.953 45.100 0.061 0.000 0.855 187 G HN -0.551 7.650 8.290 0.126 0.165 0.443 188 K N 1.435 121.831 120.400 -0.006 0.000 7.219 188 K HA -0.606 3.948 4.320 0.004 -0.232 0.683 188 K C -1.362 175.325 176.600 0.145 0.000 2.548 188 K CA 0.537 56.835 56.287 0.018 0.000 1.868 188 K CB -0.052 32.362 32.500 -0.144 0.000 1.932 188 K HN 0.181 8.451 8.250 0.033 0.000 0.297 189 D N 0.203 120.675 120.400 0.120 0.000 2.808 189 D HA 0.282 5.038 4.640 0.193 0.000 0.294 189 D C -1.907 174.458 176.300 0.107 0.000 1.278 189 D CA -0.500 53.584 54.000 0.141 0.000 0.756 189 D CB 4.322 45.188 40.800 0.110 0.000 1.271 189 D HN 0.263 8.680 8.370 0.079 0.000 0.425 190 S N -1.499 114.277 115.700 0.126 0.000 2.707 190 S HA 0.420 5.012 4.470 0.086 -0.071 0.276 190 S C -1.310 173.331 174.600 0.069 0.000 1.179 190 S CA -0.568 57.697 58.200 0.108 0.000 0.992 190 S CB 1.739 65.043 63.200 0.174 0.000 1.030 190 S HN 0.300 8.701 8.310 0.152 0.000 0.554 191 c N -1.510 117.134 118.600 0.073 0.000 3.276 191 c HA 0.284 4.888 4.570 0.057 0.000 0.370 191 c C -1.342 172.816 174.090 0.113 0.000 1.624 191 c CA -0.749 55.620 56.329 0.068 0.000 1.179 191 c CB 2.622 45.152 42.510 0.034 0.000 1.909 191 c HN 0.158 8.699 8.230 0.092 -0.257 0.434 192 Q N 1.525 121.401 119.800 0.126 0.000 2.315 192 Q HA -0.272 4.189 4.340 0.201 0.000 0.289 192 Q C 0.660 176.836 176.000 0.295 0.000 1.044 192 Q CA 1.425 57.349 55.803 0.202 0.000 0.920 192 Q CB -0.215 28.644 28.738 0.202 0.000 1.214 192 Q HN 0.362 8.688 8.270 0.093 0.000 0.392 193 G N 4.865 113.858 108.800 0.321 0.000 2.254 193 G HA2 -0.441 3.719 3.960 0.333 0.000 0.225 193 G HA3 -0.441 3.853 3.960 0.556 0.000 0.225 193 G C 0.345 175.469 174.900 0.372 0.000 1.003 193 G CA 0.996 46.338 45.100 0.404 0.000 0.622 193 G HN 0.857 9.314 8.290 0.279 0.000 0.507 194 D N 1.481 122.043 120.400 0.270 0.000 2.346 194 D HA 0.066 4.855 4.640 0.249 0.000 0.206 194 D C 0.234 176.643 176.300 0.181 0.000 1.001 194 D CA 0.871 55.001 54.000 0.216 0.000 0.871 194 D CB 0.485 41.378 40.800 0.154 0.000 0.943 194 D HN -0.082 8.328 8.370 0.242 0.105 0.518 195 S N -0.654 115.158 115.700 0.186 0.000 2.643 195 S HA -0.564 4.163 4.470 0.196 -0.140 0.310 195 S C 1.006 175.632 174.600 0.043 0.000 1.253 195 S CA 2.798 61.093 58.200 0.158 0.000 1.047 195 S CB -0.090 63.244 63.200 0.223 0.000 0.767 195 S HN -0.383 8.024 8.310 0.216 0.033 0.498 196 G N 4.201 113.016 108.800 0.024 0.000 2.234 196 G HA2 -0.478 3.538 3.960 -0.013 0.000 0.260 196 G HA3 -0.478 3.562 3.960 -0.050 -0.110 0.260 196 G C -0.038 174.902 174.900 0.066 0.000 0.987 196 G CA 0.230 45.330 45.100 0.000 0.000 0.625 196 G HN 0.638 8.973 8.290 0.074 0.000 0.532 197 G N 0.862 109.724 108.800 0.103 0.000 2.616 197 G HA2 0.348 4.449 3.960 0.122 0.000 0.268 197 G HA3 0.348 4.379 3.960 0.119 0.000 0.268 197 G C -2.657 172.323 174.900 0.133 0.000 1.213 197 G CA -2.012 43.161 45.100 0.121 0.000 0.926 197 G HN -0.324 7.937 8.290 0.112 0.097 0.523 198 P HA 0.341 4.963 4.420 0.121 -0.129 0.281 198 P C -1.590 175.765 177.300 0.092 0.000 1.249 198 P CA -0.976 62.207 63.100 0.139 0.000 0.810 198 P CB 1.727 33.565 31.700 0.230 0.000 1.008 199 V N 1.966 121.913 119.914 0.056 0.000 2.419 199 V HA 0.255 4.517 4.120 -0.032 -0.161 0.287 199 V C -1.320 174.779 176.094 0.009 0.000 1.017 199 V CA -0.418 61.876 62.300 -0.011 0.000 0.844 199 V CB 1.709 33.492 31.823 -0.067 0.000 1.011 199 V HN -0.280 7.951 8.190 0.069 0.000 0.429 200 V N 7.898 127.812 119.914 -0.000 0.000 2.459 200 V HA 0.624 4.891 4.120 -0.065 -0.185 0.295 200 V C -1.347 174.729 176.094 -0.030 0.000 1.029 200 V CA -1.331 60.944 62.300 -0.042 0.000 0.874 200 V CB 3.057 34.835 31.823 -0.075 0.000 0.985 200 V HN 0.580 8.783 8.190 0.022 0.000 0.438 201 c N 7.270 125.840 118.600 -0.050 0.000 2.431 201 c HA 0.574 5.123 4.570 -0.035 0.000 0.321 201 c C 0.208 174.270 174.090 -0.048 0.000 1.202 201 c CA -1.211 55.087 56.329 -0.050 0.000 1.398 201 c CB 2.008 44.470 42.510 -0.080 0.000 2.047 201 c HN 0.677 8.870 8.230 -0.062 0.000 0.465 202 S N 5.422 121.102 115.700 -0.033 0.000 3.549 202 S HA -0.350 4.110 4.470 -0.017 0.000 0.366 202 S C 0.293 174.874 174.600 -0.032 0.000 1.012 202 S CA 1.036 59.220 58.200 -0.028 0.000 1.141 202 S CB -1.172 62.008 63.200 -0.033 0.000 0.910 202 S HN 1.139 9.434 8.310 -0.024 0.000 0.471 203 G N -5.420 103.359 108.800 -0.035 0.000 2.155 203 G HA2 -0.355 3.571 3.960 -0.057 0.000 0.257 203 G HA3 -0.355 3.584 3.960 -0.034 0.000 0.257 203 G C -0.777 174.073 174.900 -0.083 0.000 0.983 203 G CA 0.442 45.511 45.100 -0.052 0.000 0.676 203 G HN 0.297 8.555 8.290 -0.027 0.015 0.528 210 Q N 1.159 120.977 119.800 0.030 0.000 2.396 210 Q HA 0.192 4.570 4.340 0.065 0.000 0.220 210 Q C -0.228 175.928 176.000 0.260 0.000 0.900 210 Q CA 0.255 56.101 55.803 0.071 0.000 0.925 210 Q CB 2.670 31.372 28.738 -0.059 0.000 1.065 210 Q HN 0.262 8.539 8.270 0.011 0.000 0.535 211 G N -3.012 105.956 108.800 0.280 0.000 2.680 211 G HA2 0.648 5.119 3.960 0.419 0.000 0.290 211 G HA3 0.648 4.848 3.960 0.399 0.000 0.290 211 G C -3.128 171.884 174.900 0.187 0.000 1.355 211 G CA -1.054 44.251 45.100 0.342 0.000 0.903 211 G HN -0.367 8.023 8.290 0.167 0.000 0.474 212 I N -1.565 119.117 120.570 0.187 0.000 2.569 212 I HA 0.526 5.019 4.170 0.160 -0.226 0.290 212 I C -0.544 175.717 176.117 0.240 0.000 1.088 212 I CA -1.281 60.120 61.300 0.168 0.000 1.047 212 I CB 4.467 42.528 38.000 0.102 0.000 1.237 212 I HN -0.453 7.862 8.210 0.175 0.000 0.421 213 V N 7.131 127.203 119.914 0.262 0.000 2.458 213 V HA -0.217 4.026 4.120 0.205 0.000 0.287 213 V C -1.099 175.052 176.094 0.096 0.000 1.009 213 V CA 2.187 64.609 62.300 0.203 0.000 1.091 213 V CB -1.103 30.845 31.823 0.208 0.000 0.960 213 V HN 0.384 8.704 8.190 0.217 0.000 0.476 214 S N 7.786 123.438 115.700 -0.081 0.000 3.142 214 S HA 0.301 4.988 4.470 0.361 0.000 0.223 214 S C -0.827 173.834 174.600 0.102 0.000 0.939 214 S CA 0.917 59.184 58.200 0.112 0.000 0.826 214 S CB 2.547 65.800 63.200 0.089 0.000 0.823 214 S HN -0.052 8.007 8.310 -0.419 0.000 0.612 215 W N -4.428 116.698 121.300 -0.290 0.000 2.923 215 W HA 0.247 4.780 4.660 -0.213 0.000 0.373 215 W C -3.139 173.196 176.519 -0.306 0.000 1.205 215 W CA -0.568 56.614 57.345 -0.272 0.000 1.180 215 W CB 0.629 29.927 29.460 -0.270 0.000 1.477 215 W HN -0.252 7.575 8.180 -0.588 0.000 0.581 216 G N -3.182 105.628 108.800 0.017 0.000 2.368 216 G HA2 0.126 3.756 3.960 -0.551 0.000 0.293 216 G HA3 0.126 3.988 3.960 -0.164 0.000 0.293 216 G C -2.348 172.655 174.900 0.172 0.000 1.467 216 G CA 0.239 45.257 45.100 -0.137 0.000 0.804 216 G HN -0.025 8.448 8.290 0.304 0.000 0.535 220 c N 1.828 120.460 118.600 0.053 0.000 3.465 220 c HA 0.298 5.021 4.570 0.049 -0.123 0.193 220 c C -1.470 172.646 174.090 0.044 0.000 1.515 220 c CA -0.897 55.460 56.329 0.046 0.000 1.340 220 c CB -1.301 41.229 42.510 0.033 0.000 1.928 220 c HN 0.335 8.594 8.230 0.047 0.000 0.510 221 Q N -1.703 118.127 119.800 0.049 0.000 2.889 221 Q HA 0.133 4.491 4.340 0.031 0.000 0.262 221 Q C -1.439 174.580 176.000 0.032 0.000 0.966 221 Q CA -0.594 55.231 55.803 0.037 0.000 0.858 221 Q CB 2.462 31.224 28.738 0.040 0.000 1.845 221 Q HN 0.157 8.461 8.270 0.057 0.000 0.464 222 K N 3.657 124.070 120.400 0.021 0.000 2.401 222 K HA -0.238 4.214 4.320 0.026 -0.116 0.278 222 K C 0.128 176.723 176.600 -0.009 0.000 1.018 222 K CA 0.616 56.911 56.287 0.014 0.000 0.981 222 K CB -0.056 32.450 32.500 0.009 0.000 0.933 222 K HN 0.245 8.507 8.250 0.019 0.000 0.477 223 N N 2.379 121.068 118.700 -0.017 0.000 2.753 223 N HA -0.471 4.236 4.740 -0.054 0.000 0.251 223 N C -1.641 173.785 175.510 -0.141 0.000 1.097 223 N CA 1.730 54.741 53.050 -0.065 0.000 0.786 223 N CB -0.403 38.044 38.487 -0.067 0.000 1.137 223 N HN 0.722 8.980 8.380 0.005 0.125 0.566 224 K N -2.231 118.117 120.400 -0.088 0.000 2.753 224 K HA 0.551 4.641 4.320 -0.382 0.000 0.185 224 K C -2.371 174.264 176.600 0.059 0.000 1.071 224 K CA -3.533 52.695 56.287 -0.098 0.000 0.999 224 K CB -0.114 32.400 32.500 0.024 0.000 1.244 224 K HN -0.751 7.427 8.250 -0.024 0.057 0.594 225 P HA -0.046 4.428 4.420 0.088 0.000 0.274 225 P C -0.548 176.788 177.300 0.059 0.000 1.260 225 P CA -0.409 62.746 63.100 0.092 0.000 0.793 225 P CB 1.147 32.892 31.700 0.074 0.000 1.048 226 G N -2.486 106.306 108.800 -0.013 0.000 2.476 226 G HA2 0.384 4.107 3.960 -0.396 0.000 0.269 226 G HA3 0.384 4.147 3.960 -0.329 0.000 0.269 226 G C -1.889 172.654 174.900 -0.594 0.000 1.195 226 G CA -0.803 44.095 45.100 -0.337 0.000 0.843 226 G HN -0.399 7.948 8.290 0.095 0.000 0.545 227 V N 1.423 120.665 119.914 -1.121 0.000 2.555 227 V HA 0.664 4.545 4.120 -0.679 -0.168 0.302 227 V C -0.995 174.336 176.094 -1.272 0.000 1.038 227 V CA -1.118 60.510 62.300 -1.120 0.000 0.887 227 V CB 2.517 33.297 31.823 -1.737 0.000 0.991 227 V HN 0.538 8.018 8.190 -1.183 0.000 0.434 228 Y N 4.586 124.485 120.300 -0.670 0.000 2.499 228 Y HA 0.561 5.022 4.550 -0.372 -0.134 0.347 228 Y C 0.236 175.859 175.900 -0.461 0.000 0.987 228 Y CA -2.216 55.501 58.100 -0.638 0.000 1.044 228 Y CB 3.789 41.606 38.460 -1.072 0.000 1.245 228 Y HN 1.069 8.968 8.280 -0.635 0.000 0.461 229 T N 4.830 119.360 114.554 -0.040 0.000 2.870 229 T HA 0.001 4.565 4.350 0.110 -0.148 0.300 229 T C -0.608 174.227 174.700 0.226 0.000 0.989 229 T CA 1.530 63.684 62.100 0.091 0.000 1.139 229 T CB 0.453 69.359 68.868 0.063 0.000 0.920 229 T HN 0.422 8.672 8.240 0.016 0.000 0.537 230 K N 8.440 129.053 120.400 0.355 0.000 2.171 230 K HA 0.084 4.809 4.320 0.675 0.000 0.274 230 K C 1.023 177.876 176.600 0.422 0.000 1.110 230 K CA -0.465 56.105 56.287 0.473 0.000 0.952 230 K CB -0.375 32.355 32.500 0.383 0.000 1.309 230 K HN 0.210 8.547 8.250 0.320 0.105 0.414 231 V N 5.885 126.025 119.914 0.378 0.000 2.469 231 V HA -0.532 3.876 4.120 0.480 0.000 0.251 231 V C 1.465 177.719 176.094 0.267 0.000 1.064 231 V CA 3.857 66.365 62.300 0.348 0.000 1.066 231 V CB -0.359 31.598 31.823 0.224 0.000 0.667 231 V HN 0.242 8.663 8.190 0.386 0.000 0.461 232 c N -3.500 115.195 118.600 0.159 0.000 2.409 232 c HA -0.226 4.389 4.570 0.076 0.000 0.284 232 c C 1.664 175.773 174.090 0.031 0.000 1.354 232 c CA 1.727 58.101 56.329 0.075 0.000 1.787 232 c CB -2.102 40.422 42.510 0.023 0.000 1.900 232 c HN 0.491 8.795 8.230 0.157 0.020 0.520 233 N N 0.823 119.510 118.700 -0.022 0.000 2.494 233 N HA -0.100 4.539 4.740 -0.169 0.000 0.182 233 N C 0.373 175.639 175.510 -0.407 0.000 1.076 233 N CA 1.255 54.146 53.050 -0.264 0.000 0.908 233 N CB -0.222 37.974 38.487 -0.484 0.000 0.967 233 N HN -0.412 7.961 8.380 0.060 0.044 0.449 234 Y N -4.559 115.805 120.300 0.106 0.000 2.481 234 Y HA 0.155 4.832 4.550 0.211 0.000 0.247 234 Y C 0.170 176.210 175.900 0.233 0.000 1.151 234 Y CA -0.541 57.677 58.100 0.197 0.000 1.238 234 Y CB -0.022 38.566 38.460 0.214 0.000 1.179 234 Y HN -0.203 8.001 8.280 0.186 0.188 0.524 235 V N 1.012 121.066 119.914 0.234 0.000 2.287 235 V HA -0.594 3.619 4.120 0.156 0.000 0.248 235 V C 1.412 177.579 176.094 0.122 0.000 1.053 235 V CA 5.066 67.457 62.300 0.152 0.000 1.027 235 V CB -0.617 31.256 31.823 0.084 0.000 0.646 235 V HN -0.762 7.528 8.190 0.167 0.000 0.447 236 S N -0.335 115.438 115.700 0.122 0.000 2.382 236 S HA -0.333 4.160 4.470 0.039 0.000 0.228 236 S C 1.721 176.395 174.600 0.123 0.000 1.027 236 S CA 3.281 61.534 58.200 0.089 0.000 0.991 236 S CB -0.453 62.797 63.200 0.083 0.000 0.823 236 S HN 0.124 8.504 8.310 0.117 0.000 0.469 237 W N 4.098 125.435 121.300 0.062 0.000 2.354 237 W HA -0.177 4.513 4.660 0.049 0.000 0.315 237 W C 1.450 177.986 176.519 0.028 0.000 1.206 237 W CA 3.071 60.465 57.345 0.082 0.000 1.290 237 W CB -0.023 29.570 29.460 0.221 0.000 1.152 237 W HN -0.429 7.977 8.180 0.389 0.008 0.489 238 I N -1.054 119.529 120.570 0.022 0.000 2.127 238 I HA -0.772 3.002 4.170 -0.660 0.000 0.241 238 I C 1.898 177.789 176.117 -0.376 0.000 1.075 238 I CA 4.572 65.697 61.300 -0.291 0.000 1.334 238 I CB -0.265 37.726 38.000 -0.014 0.000 1.040 238 I HN 0.405 8.832 8.210 0.361 0.000 0.405 239 K N -0.976 119.302 120.400 -0.204 0.000 2.032 239 K HA -0.449 3.726 4.320 -0.242 0.000 0.209 239 K C 2.781 179.234 176.600 -0.245 0.000 1.048 239 K CA 3.819 59.982 56.287 -0.206 0.000 0.927 239 K CB -0.389 32.050 32.500 -0.103 0.000 0.712 239 K HN -0.012 8.185 8.250 -0.089 0.000 0.441 240 Q N -2.112 117.556 119.800 -0.220 0.000 2.079 240 Q HA -0.291 3.957 4.340 -0.153 0.000 0.200 240 Q C 2.673 178.491 176.000 -0.303 0.000 0.974 240 Q CA 3.378 59.059 55.803 -0.203 0.000 0.840 240 Q CB 0.047 28.709 28.738 -0.126 0.000 0.898 240 Q HN 0.194 8.358 8.270 -0.176 0.000 0.430 241 T N 2.848 117.101 114.554 -0.503 0.000 2.708 241 T HA -0.277 3.837 4.350 -0.394 0.000 0.266 241 T C 2.308 176.695 174.700 -0.521 0.000 1.037 241 T CA 4.984 66.746 62.100 -0.563 0.000 1.146 241 T CB -0.168 68.118 68.868 -0.970 0.000 0.865 241 T HN 0.074 7.952 8.240 -0.604 0.000 0.435 242 I N 0.905 121.058 120.570 -0.695 0.000 2.226 242 I HA -0.462 2.958 4.170 -1.251 0.000 0.245 242 I C 1.836 177.738 176.117 -0.360 0.000 1.100 242 I CA 3.771 64.552 61.300 -0.866 0.000 1.374 242 I CB -0.407 36.986 38.000 -1.010 0.000 1.057 242 I HN 0.169 7.966 8.210 -0.688 0.000 0.413 243 A N -0.595 122.063 122.820 -0.270 0.000 2.019 243 A HA -0.215 4.046 4.320 -0.099 0.000 0.219 243 A C 1.255 178.792 177.584 -0.078 0.000 1.164 243 A CA 2.747 54.704 52.037 -0.134 0.000 0.644 243 A CB -0.487 18.442 19.000 -0.119 0.000 0.805 243 A HN 0.046 8.006 8.150 -0.316 0.000 0.449 244 S N -4.788 110.855 115.700 -0.095 0.000 2.557 244 S HA 0.094 4.552 4.470 -0.020 0.000 0.223 244 S C -0.711 173.898 174.600 0.014 0.000 0.969 244 S CA 0.541 58.718 58.200 -0.038 0.000 0.927 244 S CB 1.007 64.175 63.200 -0.054 0.000 0.806 244 S HN -0.369 7.718 8.310 -0.159 0.128 0.489 245 N N 0.000 118.738 118.700 0.063 0.000 1.763 245 N HA 0.000 4.815 4.740 0.124 0.000 0.220 245 N CA 0.000 53.162 53.050 0.187 0.000 0.885 245 N CB 0.000 38.672 38.487 0.309 0.000 1.341 245 N HN 0.000 8.229 8.380 0.025 0.166 0.667