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 1o2y_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 4.192 4.170 0.037 0.000 0.288 16 I C 0.000 176.116 176.117 -0.001 0.000 1.063 16 I CA 0.000 61.305 61.300 0.008 0.000 1.566 16 I CB 0.000 37.968 38.000 -0.053 0.000 1.214 17 V N 5.864 125.788 119.914 0.016 0.000 2.435 17 V HA 0.238 4.495 4.120 -0.006 -0.140 0.290 17 V C 0.541 176.641 176.094 0.010 0.000 1.030 17 V CA -1.551 60.754 62.300 0.008 0.000 0.881 17 V CB 1.085 32.919 31.823 0.018 0.000 0.983 17 V HN 0.915 9.127 8.190 0.037 0.000 0.445 18 G N 7.046 115.846 108.800 -0.001 0.000 2.160 18 G HA2 -0.394 3.562 3.960 -0.006 0.000 0.251 18 G HA3 -0.394 3.723 3.960 -0.018 -0.168 0.251 18 G C -0.698 174.213 174.900 0.018 0.000 1.008 18 G CA 0.442 45.540 45.100 -0.004 0.000 0.724 18 G HN 0.774 9.061 8.290 -0.005 0.000 0.514 19 G N -1.143 107.664 108.800 0.012 0.000 2.671 19 G HA2 0.503 4.507 3.960 0.083 0.000 0.275 19 G HA3 0.503 4.479 3.960 -0.096 -0.074 0.275 19 G C -1.741 173.198 174.900 0.066 0.000 1.368 19 G CA -1.068 44.035 45.100 0.006 0.000 1.044 19 G HN -0.676 7.579 8.290 -0.006 0.031 0.543 20 Y N -6.202 114.079 120.300 -0.030 0.000 2.605 20 Y HA 0.391 4.924 4.550 -0.027 0.000 0.343 20 Y C -1.687 174.188 175.900 -0.043 0.000 1.036 20 Y CA -2.935 55.146 58.100 -0.031 0.000 1.065 20 Y CB 1.192 39.637 38.460 -0.026 0.000 1.288 20 Y HN 0.376 8.211 8.280 -0.566 0.106 0.481 21 T N 2.557 117.158 114.554 0.079 0.000 2.853 21 T HA 0.041 4.463 4.350 -0.100 -0.132 0.298 21 T C 0.207 174.923 174.700 0.027 0.000 0.978 21 T CA 1.277 63.374 62.100 -0.006 0.000 1.152 21 T CB -0.100 68.793 68.868 0.042 0.000 0.914 21 T HN 0.033 8.370 8.240 0.162 0.000 0.539 22 c N 6.165 124.691 118.600 -0.123 0.000 2.429 22 c HA -0.095 4.467 4.570 -0.014 0.000 0.277 22 c C 0.231 174.336 174.090 0.024 0.000 1.262 22 c CA 0.772 57.058 56.329 -0.072 0.000 1.733 22 c CB 0.246 42.645 42.510 -0.185 0.000 2.010 22 c HN 0.164 8.273 8.230 -0.201 0.000 0.483 23 G N -1.908 106.892 108.800 -0.001 0.000 2.885 23 G HA2 -0.179 3.796 3.960 0.025 0.000 0.685 23 G HA3 -0.179 3.798 3.960 0.029 0.000 0.685 23 G C -1.865 173.034 174.900 -0.001 0.000 1.216 23 G CA -0.767 44.343 45.100 0.017 0.000 0.790 23 G HN -0.367 7.905 8.290 -0.030 0.000 0.631 24 A N 4.164 126.992 122.820 0.014 0.000 2.567 24 A HA -0.203 4.303 4.320 0.028 -0.170 0.240 24 A C -0.350 177.239 177.584 0.009 0.000 1.053 24 A CA 1.083 53.132 52.037 0.021 0.000 0.755 24 A CB 0.048 19.068 19.000 0.033 0.000 0.978 24 A HN 0.287 8.450 8.150 0.021 0.000 0.507 25 N N -2.947 115.755 118.700 0.005 0.000 2.693 25 N HA -0.363 4.368 4.740 -0.015 0.000 0.249 25 N C 0.464 175.953 175.510 -0.034 0.000 1.119 25 N CA 1.583 54.627 53.050 -0.011 0.000 0.717 25 N CB -0.798 37.694 38.487 0.009 0.000 1.071 25 N HN 0.406 8.797 8.380 0.018 0.000 0.555 26 T N -3.709 110.814 114.554 -0.051 0.000 3.100 26 T HA 0.026 4.365 4.350 -0.019 0.000 0.253 26 T C -0.046 174.595 174.700 -0.099 0.000 1.118 26 T CA 1.936 64.010 62.100 -0.044 0.000 1.058 26 T CB 0.456 69.314 68.868 -0.017 0.000 0.953 26 T HN -0.462 7.713 8.240 -0.055 0.032 0.515 27 V N 2.355 122.148 119.914 -0.202 0.000 2.320 27 V HA 0.383 4.223 4.120 -0.467 0.000 0.257 27 V C -1.551 174.225 176.094 -0.531 0.000 0.996 27 V CA -3.329 58.691 62.300 -0.467 0.000 0.928 27 V CB 0.577 32.106 31.823 -0.491 0.000 1.169 27 V HN -0.511 7.509 8.190 -0.168 0.069 0.475 28 P HA 0.069 4.534 4.420 -0.089 -0.098 0.230 28 P C 0.086 177.344 177.300 -0.071 0.000 1.158 28 P CA 1.545 64.572 63.100 -0.122 0.000 0.769 28 P CB 0.114 31.816 31.700 0.004 0.000 0.807 29 Y N -6.012 114.313 120.300 0.042 0.000 2.482 29 Y HA 0.495 5.229 4.550 0.057 -0.150 0.270 29 Y C -0.511 175.426 175.900 0.061 0.000 1.152 29 Y CA -3.162 54.969 58.100 0.051 0.000 1.292 29 Y CB -1.239 37.247 38.460 0.043 0.000 1.070 29 Y HN -0.402 7.278 8.280 -0.910 0.054 0.528 30 Q N 2.802 122.484 119.800 -0.196 0.000 2.313 30 Q HA 0.177 4.707 4.340 0.095 -0.132 0.266 30 Q C -0.308 175.775 176.000 0.139 0.000 0.989 30 Q CA 0.217 56.006 55.803 -0.023 0.000 0.890 30 Q CB 1.054 29.674 28.738 -0.196 0.000 1.200 30 Q HN -0.611 7.192 8.270 -0.503 0.166 0.396 31 V N 0.984 121.017 119.914 0.199 0.000 3.074 31 V HA 0.827 5.184 4.120 0.204 -0.115 0.314 31 V C -2.041 174.206 176.094 0.254 0.000 1.117 31 V CA -2.871 59.545 62.300 0.192 0.000 1.014 31 V CB 4.014 35.897 31.823 0.101 0.000 1.057 31 V HN 0.347 8.650 8.190 0.187 0.000 0.438 32 S N 0.538 116.295 115.700 0.096 0.000 2.473 32 S HA 0.449 5.141 4.470 0.187 -0.110 0.307 32 S C -1.125 173.354 174.600 -0.200 0.000 1.094 32 S CA -2.111 56.076 58.200 -0.020 0.000 1.070 32 S CB 1.767 64.745 63.200 -0.371 0.000 1.019 32 S HN 0.183 8.510 8.310 0.029 0.000 0.480 33 L N 7.361 128.335 121.223 -0.416 0.000 2.264 33 L HA 0.516 4.769 4.340 -0.354 -0.125 0.289 33 L C -1.602 174.843 176.870 -0.709 0.000 1.044 33 L CA -0.814 53.657 54.840 -0.614 0.000 0.807 33 L CB 0.797 42.257 42.059 -0.998 0.000 1.192 33 L HN 0.856 8.798 8.230 -0.479 0.000 0.425 38 G N 0.638 109.319 108.800 -0.198 0.000 2.179 38 G HA2 -0.336 3.601 3.960 -0.037 0.000 0.220 38 G HA3 -0.336 3.668 3.960 0.074 0.000 0.220 38 G C -1.882 173.098 174.900 0.132 0.000 0.990 38 G CA 0.224 45.319 45.100 -0.008 0.000 0.646 38 G HN 0.277 8.714 8.290 -0.217 -0.278 0.517 39 Y N -7.497 112.771 120.300 -0.053 0.000 2.687 39 Y HA 0.192 4.702 4.550 -0.067 0.000 0.338 39 Y C -2.488 173.409 175.900 -0.006 0.000 1.189 39 Y CA -3.529 54.544 58.100 -0.045 0.000 1.097 39 Y CB 0.749 39.180 38.460 -0.047 0.000 1.342 39 Y HN -1.252 6.808 8.280 -0.400 -0.020 0.461 40 H N 2.511 121.546 119.070 -0.058 0.000 2.848 40 H HA -0.101 4.426 4.556 -0.294 -0.148 0.317 40 H C -0.709 174.610 175.328 -0.015 0.000 1.046 40 H CA 0.650 56.593 56.048 -0.175 0.000 1.470 40 H CB 0.251 29.881 29.762 -0.221 0.000 1.483 40 H HN 0.263 8.648 8.280 0.174 0.000 0.548 41 F N 1.441 120.931 119.950 -0.767 0.000 2.819 41 F HA 0.357 4.766 4.527 -0.197 0.000 0.325 41 F C -1.684 173.837 175.800 -0.466 0.000 1.041 41 F CA -0.395 57.343 58.000 -0.437 0.000 1.184 41 F CB 1.791 40.607 39.000 -0.308 0.000 1.019 41 F HN 0.049 7.689 8.300 -1.100 0.000 0.590 42 c N -1.754 116.114 118.600 -1.220 0.000 3.321 42 c HA 0.336 4.788 4.570 -0.261 -0.038 0.329 42 c C -1.722 172.131 174.090 -0.396 0.000 1.394 42 c CA -0.192 55.779 56.329 -0.596 0.000 1.291 42 c CB 4.084 46.288 42.510 -0.510 0.000 1.606 42 c HN -0.782 6.445 8.230 -1.672 0.000 0.463 43 G N -1.045 107.720 108.800 -0.057 0.000 2.705 43 G HA2 0.824 5.057 3.960 0.206 0.000 0.299 43 G HA3 0.824 4.901 3.960 0.196 0.000 0.299 43 G C -2.519 172.392 174.900 0.019 0.000 1.315 43 G CA -1.681 43.487 45.100 0.113 0.000 1.045 43 G HN 0.817 9.081 8.290 -0.043 0.000 0.517 44 G N -4.021 104.829 108.800 0.084 0.000 2.506 44 G HA2 0.497 4.799 3.960 0.066 0.000 0.292 44 G HA3 0.497 4.485 3.960 0.046 0.000 0.292 44 G C -2.958 172.023 174.900 0.135 0.000 1.425 44 G CA 0.401 45.546 45.100 0.075 0.000 0.788 44 G HN -0.586 7.789 8.290 0.142 0.000 0.490 45 S N -0.525 115.260 115.700 0.141 0.000 2.532 45 S HA 0.807 5.633 4.470 0.258 -0.201 0.299 45 S C -1.274 173.426 174.600 0.167 0.000 1.105 45 S CA -0.883 57.433 58.200 0.193 0.000 1.018 45 S CB 3.745 67.045 63.200 0.167 0.000 1.021 45 S HN 0.478 8.858 8.310 0.117 0.000 0.483 46 L N 6.395 127.734 121.223 0.192 0.000 2.369 46 L HA 0.139 4.685 4.340 0.147 -0.118 0.279 46 L C -0.630 176.325 176.870 0.141 0.000 1.108 46 L CA -0.063 54.872 54.840 0.160 0.000 0.852 46 L CB 0.805 42.959 42.059 0.157 0.000 1.169 46 L HN 0.554 8.824 8.230 0.250 0.109 0.452 47 I N 0.947 121.598 120.570 0.134 0.000 4.070 47 I HA 0.479 4.836 4.170 0.067 -0.147 0.328 47 I C -0.964 175.212 176.117 0.098 0.000 1.298 47 I CA -0.540 60.817 61.300 0.095 0.000 1.173 47 I CB 0.836 38.882 38.000 0.077 0.000 1.051 47 I HN 0.324 8.632 8.210 0.162 0.000 0.409 48 N N -2.167 116.614 118.700 0.136 0.000 3.116 48 N HA 0.127 4.924 4.740 0.096 0.000 0.244 48 N C -0.374 175.216 175.510 0.134 0.000 1.485 48 N CA -0.523 52.605 53.050 0.129 0.000 0.884 48 N CB 0.713 39.287 38.487 0.145 0.000 1.415 48 N HN -0.909 7.569 8.380 0.162 0.000 0.524 49 S N -3.458 112.306 115.700 0.107 0.000 2.547 49 S HA -0.328 4.184 4.470 0.071 0.000 0.235 49 S C 0.736 175.369 174.600 0.056 0.000 0.980 49 S CA 2.680 60.926 58.200 0.076 0.000 0.941 49 S CB -0.213 63.020 63.200 0.056 0.000 0.763 49 S HN 0.400 8.770 8.310 0.099 0.000 0.532 50 Q N -0.688 119.161 119.800 0.082 0.000 2.140 50 Q HA 0.342 4.623 4.340 -0.097 0.000 0.227 50 Q C -2.134 173.737 176.000 -0.215 0.000 0.798 50 Q CA -0.330 55.427 55.803 -0.077 0.000 0.987 50 Q CB 2.799 31.468 28.738 -0.116 0.000 1.161 50 Q HN 0.140 8.813 8.270 0.177 -0.297 0.480 51 W N -2.171 119.136 121.300 0.011 0.000 2.915 51 W HA 0.744 5.616 4.660 0.007 -0.208 0.337 51 W C -1.539 174.993 176.519 0.022 0.000 1.102 51 W CA -1.132 56.218 57.345 0.009 0.000 1.224 51 W CB 3.924 33.379 29.460 -0.007 0.000 1.416 51 W HN -0.343 8.102 8.180 0.253 -0.113 0.503 52 V N 1.237 121.315 119.914 0.274 0.000 2.735 52 V HA 0.775 5.182 4.120 0.172 -0.184 0.310 52 V C -1.482 174.726 176.094 0.191 0.000 1.061 52 V CA -1.655 60.754 62.300 0.182 0.000 0.913 52 V CB 3.720 35.606 31.823 0.105 0.000 1.005 52 V HN 0.849 9.219 8.190 0.299 0.000 0.428 53 V N 6.148 126.151 119.914 0.148 0.000 2.513 53 V HA 0.723 5.096 4.120 0.155 -0.160 0.299 53 V C -1.237 174.913 176.094 0.094 0.000 1.035 53 V CA -1.177 61.202 62.300 0.132 0.000 0.889 53 V CB 1.984 33.877 31.823 0.117 0.000 0.988 53 V HN 0.663 8.935 8.190 0.137 0.000 0.440 54 S N 4.114 119.856 115.700 0.071 0.000 2.973 54 S HA 0.551 5.251 4.470 0.027 -0.214 0.317 54 S C -2.036 172.555 174.600 -0.015 0.000 1.196 54 S CA -2.516 55.696 58.200 0.020 0.000 0.894 54 S CB 2.434 65.629 63.200 -0.009 0.000 1.292 54 S HN 0.743 9.106 8.310 0.088 0.000 0.614 55 A N -0.602 122.169 122.820 -0.081 0.000 2.312 55 A HA 0.454 4.868 4.320 -0.096 -0.152 0.326 55 A C 0.624 178.091 177.584 -0.195 0.000 1.172 55 A CA -1.662 50.293 52.037 -0.138 0.000 0.821 55 A CB 1.690 20.567 19.000 -0.205 0.000 1.166 55 A HN 0.216 8.304 8.150 -0.103 0.000 0.493 56 A N 5.232 127.885 122.820 -0.277 0.000 1.940 56 A HA -0.274 3.900 4.320 -0.243 0.000 0.219 56 A C 1.347 178.698 177.584 -0.387 0.000 1.176 56 A CA 2.964 54.716 52.037 -0.474 0.000 0.631 56 A CB -0.447 17.847 19.000 -1.177 0.000 0.814 56 A HN 0.652 8.652 8.150 -0.257 -0.004 0.446 57 H N -4.800 114.104 119.070 -0.278 0.000 2.563 57 H HA -0.081 4.512 4.556 0.061 0.000 0.272 57 H C 0.111 175.489 175.328 0.084 0.000 1.005 57 H CA 1.347 57.400 56.048 0.008 0.000 1.171 57 H CB -1.277 28.564 29.762 0.131 0.000 1.351 57 H HN 0.036 8.526 8.280 -0.176 -0.315 0.602 58 c N -1.880 116.633 118.600 -0.144 0.000 2.791 58 c HA 0.047 4.670 4.570 0.089 0.000 0.270 58 c C 0.273 174.441 174.090 0.130 0.000 1.257 58 c CA -0.038 56.294 56.329 0.006 0.000 1.699 58 c CB -1.409 41.051 42.510 -0.083 0.000 1.904 58 c HN -0.188 7.726 8.230 -0.203 0.194 0.603 59 Y N 3.709 124.013 120.300 0.006 0.000 2.578 59 Y HA -0.228 4.345 4.550 0.038 0.000 0.339 59 Y C -0.759 175.136 175.900 -0.009 0.000 1.231 59 Y CA 2.148 60.257 58.100 0.015 0.000 1.461 59 Y CB 0.741 39.192 38.460 -0.015 0.000 1.323 59 Y HN -0.350 7.840 8.280 0.152 0.181 0.590 60 K N 5.047 124.627 120.400 -1.367 0.000 2.772 60 K HA 0.159 4.013 4.320 -0.777 0.000 0.292 60 K C -2.545 173.538 176.600 -0.863 0.000 1.049 60 K CA -0.982 54.745 56.287 -0.934 0.000 0.846 60 K CB 1.892 34.045 32.500 -0.578 0.000 1.514 60 K HN -0.043 7.213 8.250 -1.656 0.000 0.373 61 S N -0.653 114.768 115.700 -0.465 0.000 2.730 61 S HA 0.133 4.445 4.470 -0.264 0.000 0.284 61 S C 0.747 175.214 174.600 -0.222 0.000 1.153 61 S CA -0.516 57.527 58.200 -0.262 0.000 0.995 61 S CB 1.420 64.558 63.200 -0.105 0.000 1.058 61 S HN -0.166 7.934 8.310 -0.351 0.000 0.552 62 G N -0.336 108.377 108.800 -0.146 0.000 2.272 62 G HA2 -0.260 3.644 3.960 -0.094 0.000 0.280 62 G HA3 -0.260 3.620 3.960 -0.134 0.000 0.280 62 G C -1.460 173.359 174.900 -0.134 0.000 1.067 62 G CA 0.246 45.270 45.100 -0.127 0.000 0.902 62 G HN 0.299 8.522 8.290 -0.112 0.000 0.500 63 I N -1.236 119.270 120.570 -0.107 0.000 2.353 63 I HA 0.081 4.240 4.170 -0.018 0.000 0.293 63 I C -1.646 174.434 176.117 -0.063 0.000 0.992 63 I CA -0.718 60.553 61.300 -0.049 0.000 1.268 63 I CB 0.824 38.822 38.000 -0.004 0.000 1.387 63 I HN -0.466 7.680 8.210 -0.107 0.000 0.478 64 Q N 6.967 126.719 119.800 -0.080 0.000 3.106 64 Q HA 0.543 4.933 4.340 -0.077 -0.096 0.247 64 Q C -1.680 174.241 176.000 -0.131 0.000 1.033 64 Q CA -1.965 53.774 55.803 -0.107 0.000 0.888 64 Q CB 4.331 32.974 28.738 -0.157 0.000 1.586 64 Q HN 0.491 8.718 8.270 -0.071 0.000 0.482 65 R N -2.531 117.918 120.500 -0.085 0.000 3.262 65 R HA 0.388 4.989 4.340 0.157 -0.167 0.270 65 R C -1.445 174.895 176.300 0.068 0.000 1.147 65 R CA 0.092 56.187 56.100 -0.009 0.000 1.189 65 R CB 2.393 32.549 30.300 -0.240 0.000 1.271 65 R HN 0.569 8.768 8.270 -0.119 0.000 0.447 70 E N -0.738 119.566 120.200 0.172 0.000 2.319 70 E HA 0.097 4.532 4.350 0.143 0.000 0.268 70 E C -1.619 175.180 176.600 0.333 0.000 1.050 70 E CA 0.524 57.043 56.400 0.198 0.000 0.878 70 E CB 1.494 31.234 29.700 0.068 0.000 1.066 70 E HN -0.593 7.842 8.360 0.191 0.040 0.406 71 D N 1.005 121.577 120.400 0.286 0.000 3.001 71 D HA 0.058 4.939 4.640 0.401 0.000 0.183 71 D C -1.167 175.343 176.300 0.350 0.000 1.502 71 D CA 1.374 55.562 54.000 0.312 0.000 1.490 71 D CB 2.487 43.376 40.800 0.148 0.000 1.274 71 D HN 0.163 8.644 8.370 0.184 0.000 0.269 72 N N 0.829 119.635 118.700 0.177 0.000 2.437 72 N HA 0.272 5.242 4.740 0.173 -0.126 0.243 72 N C 1.946 177.459 175.510 0.005 0.000 1.041 72 N CA -1.114 52.007 53.050 0.117 0.000 0.940 72 N CB 0.526 39.059 38.487 0.077 0.000 1.133 72 N HN -0.745 7.857 8.380 0.133 -0.142 0.506 73 I N 0.861 121.346 120.570 -0.141 0.000 3.334 73 I HA -0.130 4.022 4.170 -0.274 -0.147 0.282 73 I C -0.553 175.481 176.117 -0.139 0.000 1.313 73 I CA 1.488 62.612 61.300 -0.294 0.000 1.396 73 I CB -0.818 36.778 38.000 -0.674 0.000 1.054 73 I HN 0.497 8.634 8.210 -0.120 0.000 0.495 74 N N -2.206 116.459 118.700 -0.058 0.000 2.205 74 N HA 0.125 4.848 4.740 -0.028 0.000 0.201 74 N C -0.889 174.628 175.510 0.011 0.000 1.128 74 N CA 0.109 53.148 53.050 -0.018 0.000 0.867 74 N CB 2.119 40.606 38.487 -0.001 0.000 0.996 74 N HN -0.088 8.544 8.380 -0.037 -0.274 0.503 75 V N 0.217 120.144 119.914 0.022 0.000 2.638 75 V HA 0.040 4.180 4.120 0.034 0.000 0.306 75 V C -1.490 174.632 176.094 0.046 0.000 1.052 75 V CA -1.067 61.254 62.300 0.034 0.000 0.885 75 V CB 3.275 35.116 31.823 0.030 0.000 0.999 75 V HN -0.789 7.451 8.190 0.013 -0.042 0.424 76 V N 7.316 127.257 119.914 0.045 0.000 2.455 76 V HA -0.197 4.142 4.120 0.048 -0.190 0.273 76 V C 0.048 176.146 176.094 0.008 0.000 1.045 76 V CA 0.782 63.098 62.300 0.027 0.000 0.976 76 V CB 0.083 31.901 31.823 -0.007 0.000 0.993 76 V HN 0.277 8.491 8.190 0.040 0.000 0.475 77 E N 7.594 127.798 120.200 0.008 0.000 2.514 77 E HA 0.161 4.515 4.350 0.006 0.000 0.215 77 E C -0.385 176.212 176.600 -0.005 0.000 0.946 77 E CA -0.490 55.914 56.400 0.007 0.000 1.038 77 E CB 1.056 30.770 29.700 0.023 0.000 1.069 77 E HN 0.535 9.413 8.360 0.012 -0.511 0.503 78 G N 0.144 108.932 108.800 -0.020 0.000 2.539 78 G HA2 -0.220 3.706 3.960 -0.055 0.000 0.686 78 G HA3 -0.220 3.726 3.960 -0.023 0.000 0.686 78 G C -1.761 173.126 174.900 -0.021 0.000 1.258 78 G CA -0.696 44.385 45.100 -0.032 0.000 0.846 78 G HN -0.482 8.206 8.290 -0.025 -0.413 0.647 79 N N -4.212 114.469 118.700 -0.032 0.000 2.984 79 N HA -0.294 4.435 4.740 -0.020 0.000 0.227 79 N C -1.149 174.350 175.510 -0.019 0.000 0.903 79 N CA 1.290 54.330 53.050 -0.016 0.000 0.995 79 N CB -0.237 38.255 38.487 0.008 0.000 1.065 79 N HN 0.151 8.503 8.380 -0.047 0.000 0.585 80 E N -1.173 118.994 120.200 -0.054 0.000 2.343 80 E HA 0.203 4.798 4.350 0.039 -0.221 0.269 80 E C -0.140 176.374 176.600 -0.144 0.000 1.047 80 E CA 0.383 56.748 56.400 -0.058 0.000 0.874 80 E CB 0.564 30.191 29.700 -0.122 0.000 1.033 80 E HN -0.251 7.972 8.360 -0.075 0.092 0.409 81 Q N 1.740 121.527 119.800 -0.022 0.000 2.274 81 Q HA 0.281 4.543 4.340 -0.131 0.000 0.268 81 Q C -1.496 174.628 176.000 0.206 0.000 1.015 81 Q CA -1.190 54.603 55.803 -0.016 0.000 0.775 81 Q CB 2.941 31.692 28.738 0.022 0.000 1.256 81 Q HN 0.392 8.726 8.270 0.106 0.000 0.442 82 F N 3.431 123.363 119.950 -0.031 0.000 2.426 82 F HA 0.455 5.129 4.527 -0.046 -0.175 0.348 82 F C -0.125 175.652 175.800 -0.039 0.000 1.124 82 F CA -2.960 55.015 58.000 -0.040 0.000 1.008 82 F CB 1.103 40.077 39.000 -0.043 0.000 1.139 82 F HN 0.368 8.661 8.300 -0.011 0.000 0.452 83 I N 3.918 124.567 120.570 0.131 0.000 2.533 83 I HA 0.248 4.446 4.170 0.047 0.000 0.290 83 I C -1.244 174.874 176.117 0.001 0.000 1.056 83 I CA -1.371 59.957 61.300 0.046 0.000 1.057 83 I CB 4.058 42.069 38.000 0.018 0.000 1.240 83 I HN 0.803 9.078 8.210 0.110 0.000 0.423 84 S N 5.722 121.414 115.700 -0.013 0.000 2.592 84 S HA 0.054 4.498 4.470 -0.043 0.000 0.271 84 S C -0.441 174.125 174.600 -0.057 0.000 1.326 84 S CA 0.842 59.019 58.200 -0.037 0.000 1.024 84 S CB 0.941 64.120 63.200 -0.035 0.000 0.921 84 S HN 0.427 8.734 8.310 -0.005 0.000 0.527 85 A N 2.667 125.449 122.820 -0.063 0.000 2.363 85 A HA 0.184 4.540 4.320 -0.100 -0.096 0.270 85 A C -0.524 177.010 177.584 -0.082 0.000 1.121 85 A CA -0.393 51.597 52.037 -0.079 0.000 0.800 85 A CB 0.706 19.671 19.000 -0.058 0.000 1.052 85 A HN -0.218 7.897 8.150 -0.058 0.000 0.493 86 S N 3.589 119.218 115.700 -0.117 0.000 2.371 86 S HA 0.016 4.442 4.470 -0.074 0.000 0.219 86 S C 0.490 175.048 174.600 -0.071 0.000 1.040 86 S CA 1.367 59.506 58.200 -0.101 0.000 0.958 86 S CB 0.801 63.914 63.200 -0.144 0.000 0.860 86 S HN 0.832 8.925 8.310 -0.167 0.118 0.487 87 K N -0.525 119.823 120.400 -0.087 0.000 2.512 87 K HA 0.328 4.665 4.320 0.028 0.000 0.263 87 K C -2.066 174.556 176.600 0.037 0.000 0.966 87 K CA -0.893 55.391 56.287 -0.006 0.000 0.851 87 K CB 3.262 35.769 32.500 0.012 0.000 1.395 87 K HN -0.707 7.449 8.250 -0.157 0.000 0.440 88 S N 0.878 116.658 115.700 0.133 0.000 2.532 88 S HA 0.792 5.550 4.470 0.176 -0.183 0.299 88 S C -0.786 173.939 174.600 0.208 0.000 1.105 88 S CA -0.464 57.859 58.200 0.206 0.000 1.018 88 S CB 2.293 65.694 63.200 0.336 0.000 1.021 88 S HN 0.186 8.586 8.310 0.149 0.000 0.483 89 I N 7.673 128.376 120.570 0.222 0.000 2.405 89 I HA 0.116 4.374 4.170 0.146 0.000 0.280 89 I C -1.557 174.702 176.117 0.237 0.000 1.027 89 I CA -0.813 60.611 61.300 0.207 0.000 1.161 89 I CB 1.419 39.552 38.000 0.223 0.000 1.300 89 I HN 1.087 9.338 8.210 0.250 0.109 0.463 90 V N 7.771 127.757 119.914 0.120 0.000 2.649 90 V HA -0.127 4.042 4.120 0.081 0.000 0.292 90 V C -0.229 175.940 176.094 0.126 0.000 1.055 90 V CA -0.686 61.653 62.300 0.065 0.000 1.023 90 V CB 0.964 32.730 31.823 -0.094 0.000 0.992 90 V HN 0.356 8.571 8.190 0.041 0.000 0.480 91 H N 8.480 127.528 119.070 -0.037 0.000 3.125 91 H HA -0.066 4.288 4.556 -0.337 0.000 0.310 91 H C -0.305 174.989 175.328 -0.056 0.000 0.980 91 H CA 0.314 56.211 56.048 -0.252 0.000 1.422 91 H CB 1.480 30.942 29.762 -0.501 0.000 1.432 91 H HN -0.157 8.160 8.280 0.062 0.000 0.577 92 P HA -0.107 4.325 4.420 0.020 0.000 0.219 92 P C -0.445 176.914 177.300 0.098 0.000 1.146 92 P CA 1.482 64.562 63.100 -0.033 0.000 0.808 92 P CB 0.320 31.977 31.700 -0.072 0.000 0.779 93 S N -3.697 112.177 115.700 0.289 0.000 2.582 93 S HA 0.035 4.568 4.470 0.105 0.000 0.234 93 S C -0.595 174.102 174.600 0.161 0.000 0.961 93 S CA 0.017 58.342 58.200 0.207 0.000 0.953 93 S CB 0.428 63.738 63.200 0.183 0.000 0.800 93 S HN -0.365 8.253 8.310 0.567 0.032 0.471 94 Y N 3.663 124.009 120.300 0.077 0.000 2.526 94 Y HA -0.289 4.424 4.550 -0.052 -0.194 0.330 94 Y C -0.879 175.012 175.900 -0.015 0.000 1.156 94 Y CA 0.732 58.830 58.100 -0.003 0.000 1.419 94 Y CB 0.844 39.309 38.460 0.009 0.000 1.250 94 Y HN -0.663 7.647 8.280 0.349 0.179 0.540 95 N N 7.280 125.611 118.700 -0.614 0.000 2.479 95 N HA 0.220 4.675 4.740 -0.476 0.000 0.261 95 N C -0.232 174.744 175.510 -0.891 0.000 0.979 95 N CA -1.263 51.439 53.050 -0.580 0.000 0.930 95 N CB 1.681 39.996 38.487 -0.286 0.000 1.172 95 N HN -0.200 7.933 8.380 -0.411 0.000 0.499 96 S N 6.478 121.649 115.700 -0.882 0.000 2.474 96 S HA -0.116 3.943 4.470 -0.685 0.000 0.235 96 S C 0.777 175.183 174.600 -0.322 0.000 0.997 96 S CA 2.276 60.125 58.200 -0.585 0.000 0.949 96 S CB -0.137 62.907 63.200 -0.260 0.000 0.766 96 S HN 0.630 8.525 8.310 -0.691 0.000 0.517 97 N N 2.025 120.547 118.700 -0.297 0.000 2.290 97 N HA 0.011 4.625 4.740 -0.210 0.000 0.179 97 N C 1.171 176.513 175.510 -0.279 0.000 1.016 97 N CA 2.383 55.292 53.050 -0.235 0.000 0.871 97 N CB 0.495 38.874 38.487 -0.179 0.000 0.987 97 N HN 0.319 8.740 8.380 -0.321 -0.234 0.431 98 T N -4.197 110.188 114.554 -0.282 0.000 3.022 98 T HA 0.058 4.199 4.350 -0.349 0.000 0.250 98 T C 0.233 174.730 174.700 -0.338 0.000 1.060 98 T CA 0.401 62.323 62.100 -0.297 0.000 1.013 98 T CB 1.610 70.363 68.868 -0.193 0.000 0.982 98 T HN -0.361 8.001 8.240 -0.277 -0.289 0.508 99 L N -3.603 117.455 121.223 -0.274 0.000 4.291 99 L HA -0.509 3.933 4.340 0.035 -0.081 0.413 99 L C -1.821 175.072 176.870 0.039 0.000 1.162 99 L CA 0.416 55.202 54.840 -0.090 0.000 0.961 99 L CB -2.674 39.260 42.059 -0.208 0.000 2.095 99 L HN -0.126 7.871 8.230 -0.310 0.047 0.838 100 N N -0.963 117.718 118.700 -0.032 0.000 2.518 100 N HA -0.181 4.606 4.740 0.078 0.000 0.266 100 N C 0.067 175.619 175.510 0.069 0.000 1.196 100 N CA 0.740 53.807 53.050 0.030 0.000 0.947 100 N CB 1.120 39.597 38.487 -0.016 0.000 1.098 100 N HN -0.677 7.584 8.380 -0.126 0.044 0.450 101 N N -0.776 117.960 118.700 0.061 0.000 2.756 101 N HA -0.474 4.182 4.740 -0.140 0.000 0.248 101 N C -1.415 174.071 175.510 -0.040 0.000 1.062 101 N CA 1.363 54.348 53.050 -0.108 0.000 0.696 101 N CB -1.607 36.684 38.487 -0.327 0.000 0.946 101 N HN 0.609 9.053 8.380 0.106 0.000 0.548 102 D N -0.967 119.456 120.400 0.037 0.000 2.608 102 D HA 0.048 4.685 4.640 -0.006 0.000 0.224 102 D C -1.714 174.500 176.300 -0.144 0.000 1.123 102 D CA -0.384 53.636 54.000 0.033 0.000 1.030 102 D CB -0.776 40.142 40.800 0.198 0.000 1.093 102 D HN -0.139 8.266 8.370 0.059 0.000 0.497 103 I N 2.154 122.574 120.570 -0.250 0.000 2.802 103 I HA 0.562 4.827 4.170 -0.127 -0.171 0.298 103 I C -3.058 173.019 176.117 -0.067 0.000 1.176 103 I CA -1.441 59.740 61.300 -0.200 0.000 1.025 103 I CB 4.170 41.919 38.000 -0.418 0.000 1.243 103 I HN -0.043 7.964 8.210 -0.264 0.044 0.424 104 M N 6.464 126.095 119.600 0.051 0.000 2.470 104 M HA 0.697 5.494 4.480 0.248 -0.168 0.285 104 M C -2.844 173.584 176.300 0.214 0.000 1.213 104 M CA -0.947 54.448 55.300 0.158 0.000 0.901 104 M CB 4.828 37.473 32.600 0.075 0.000 1.718 104 M HN 0.406 8.720 8.290 0.041 0.000 0.469 105 L N 2.947 124.336 121.223 0.276 0.000 2.334 105 L HA 0.879 5.553 4.340 0.264 -0.175 0.276 105 L C -1.274 175.790 176.870 0.324 0.000 1.014 105 L CA -1.499 53.521 54.840 0.299 0.000 0.815 105 L CB 3.152 45.363 42.059 0.253 0.000 1.268 105 L HN 0.443 8.860 8.230 0.312 0.000 0.428 106 I N 0.720 121.466 120.570 0.292 0.000 2.465 106 I HA 0.618 5.029 4.170 0.094 -0.185 0.291 106 I C -1.613 174.445 176.117 -0.097 0.000 1.014 106 I CA -1.476 59.886 61.300 0.104 0.000 1.093 106 I CB 3.255 41.286 38.000 0.052 0.000 1.267 106 I HN 0.908 9.314 8.210 0.326 0.000 0.431 107 K N 6.311 126.448 120.400 -0.439 0.000 2.159 107 K HA 0.708 4.374 4.320 -1.372 -0.168 0.266 107 K C -1.064 175.245 176.600 -0.486 0.000 0.975 107 K CA -1.979 53.696 56.287 -1.019 0.000 0.865 107 K CB 3.140 34.861 32.500 -1.299 0.000 1.087 107 K HN 0.561 8.646 8.250 -0.276 0.000 0.446 108 L N 4.314 125.283 121.223 -0.424 0.000 2.399 108 L HA 0.209 4.552 4.340 -0.169 -0.104 0.266 108 L C 1.607 178.358 176.870 -0.198 0.000 1.114 108 L CA -0.130 54.578 54.840 -0.221 0.000 0.804 108 L CB 0.547 42.519 42.059 -0.145 0.000 1.146 108 L HN 0.827 8.623 8.230 -0.546 0.107 0.451 109 K N 2.181 122.506 120.400 -0.126 0.000 2.097 109 K HA -0.317 3.936 4.320 -0.110 0.000 0.206 109 K C -0.614 175.937 176.600 -0.082 0.000 1.049 109 K CA 2.485 58.714 56.287 -0.096 0.000 0.933 109 K CB 0.445 32.908 32.500 -0.063 0.000 0.717 109 K HN 0.598 8.787 8.250 -0.102 0.000 0.442 110 S N -4.049 111.609 115.700 -0.071 0.000 2.588 110 S HA 0.154 4.592 4.470 -0.053 0.000 0.275 110 S C -1.660 172.910 174.600 -0.050 0.000 1.130 110 S CA -1.049 57.120 58.200 -0.051 0.000 0.855 110 S CB 2.777 65.958 63.200 -0.031 0.000 1.116 110 S HN -0.537 7.732 8.310 -0.068 0.000 0.472 111 A N -0.020 122.779 122.820 -0.034 0.000 2.386 111 A HA 0.153 4.604 4.320 -0.031 -0.150 0.248 111 A C -0.230 177.351 177.584 -0.006 0.000 1.082 111 A CA -0.431 51.594 52.037 -0.019 0.000 0.789 111 A CB 0.559 19.557 19.000 -0.003 0.000 1.025 111 A HN 0.210 8.343 8.150 -0.029 0.000 0.490 112 A N 0.491 123.315 122.820 0.007 0.000 2.286 112 A HA 0.223 4.618 4.320 0.011 -0.069 0.286 112 A C -0.639 176.956 177.584 0.019 0.000 1.097 112 A CA -1.283 50.764 52.037 0.016 0.000 0.821 112 A CB 1.517 20.536 19.000 0.031 0.000 1.076 112 A HN 0.332 8.379 8.150 0.010 0.109 0.490 113 S N 0.611 116.321 115.700 0.016 0.000 2.422 113 S HA 0.122 4.601 4.470 0.016 0.000 0.298 113 S C -0.616 173.998 174.600 0.023 0.000 1.118 113 S CA -0.562 57.647 58.200 0.015 0.000 1.083 113 S CB 0.618 63.822 63.200 0.006 0.000 0.971 113 S HN -0.029 8.610 8.310 0.013 -0.321 0.478 114 L N 5.113 126.354 121.223 0.029 0.000 2.375 114 L HA 0.088 4.580 4.340 0.041 -0.127 0.271 114 L C -0.278 176.610 176.870 0.030 0.000 1.107 114 L CA -0.382 54.480 54.840 0.036 0.000 0.806 114 L CB 0.668 42.753 42.059 0.043 0.000 1.146 114 L HN 0.164 8.410 8.230 0.027 0.000 0.447 115 N N 2.614 121.334 118.700 0.033 0.000 3.575 115 N HA 0.132 4.887 4.740 0.025 0.000 0.343 115 N C -1.306 174.223 175.510 0.032 0.000 1.574 115 N CA -0.308 52.758 53.050 0.027 0.000 0.832 115 N CB 1.062 39.561 38.487 0.020 0.000 2.151 115 N HN 0.531 8.822 8.380 0.040 0.112 0.552 116 S N -2.690 113.026 115.700 0.027 0.000 2.453 116 S HA -0.192 4.299 4.470 0.035 0.000 0.231 116 S C 0.587 175.203 174.600 0.028 0.000 1.005 116 S CA 2.505 60.722 58.200 0.029 0.000 0.949 116 S CB 0.043 63.257 63.200 0.022 0.000 0.774 116 S HN 0.056 8.379 8.310 0.022 0.000 0.510 117 R N -1.014 119.500 120.500 0.025 0.000 2.223 117 R HA 0.132 4.481 4.340 0.015 0.000 0.198 117 R C -1.154 175.162 176.300 0.028 0.000 0.984 117 R CA 0.206 56.319 56.100 0.021 0.000 1.018 117 R CB 1.079 31.391 30.300 0.020 0.000 0.945 117 R HN -0.007 8.550 8.270 0.023 -0.273 0.479 118 V N -1.717 118.220 119.914 0.038 0.000 2.409 118 V HA 0.287 4.632 4.120 0.053 -0.193 0.290 118 V C -2.143 173.990 176.094 0.065 0.000 1.017 118 V CA -1.086 61.245 62.300 0.052 0.000 0.841 118 V CB 2.392 34.244 31.823 0.048 0.000 1.003 118 V HN -0.330 8.025 8.190 0.035 -0.144 0.426 119 A N 6.610 129.485 122.820 0.092 0.000 2.556 119 A HA 0.614 4.986 4.320 0.086 0.000 0.294 119 A C -3.039 174.637 177.584 0.154 0.000 1.091 119 A CA -1.453 50.650 52.037 0.109 0.000 0.704 119 A CB 2.851 21.917 19.000 0.110 0.000 1.300 119 A HN 0.074 8.167 8.150 0.100 0.116 0.406 120 S N -1.551 114.223 115.700 0.123 0.000 2.672 120 S HA 0.643 5.367 4.470 0.156 -0.160 0.276 120 S C -0.794 173.857 174.600 0.086 0.000 1.207 120 S CA -0.895 57.377 58.200 0.120 0.000 1.002 120 S CB 1.587 64.838 63.200 0.085 0.000 0.998 120 S HN -0.030 8.337 8.310 0.096 0.000 0.542 121 I N 0.715 121.294 120.570 0.014 0.000 2.603 121 I HA 0.260 4.361 4.170 -0.115 0.000 0.300 121 I C -1.340 174.728 176.117 -0.082 0.000 1.017 121 I CA -1.591 59.624 61.300 -0.142 0.000 1.098 121 I CB 3.967 41.667 38.000 -0.500 0.000 1.279 121 I HN 0.165 8.398 8.210 0.038 0.000 0.437 122 S N 6.265 121.915 115.700 -0.083 0.000 2.601 122 S HA 0.220 4.674 4.470 -0.027 0.000 0.271 122 S C -0.638 173.933 174.600 -0.047 0.000 1.305 122 S CA -0.215 57.957 58.200 -0.047 0.000 1.022 122 S CB 0.799 63.976 63.200 -0.038 0.000 0.940 122 S HN 0.323 8.571 8.310 -0.105 0.000 0.525 123 L N 2.344 123.554 121.223 -0.022 0.000 2.399 123 L HA 0.170 4.509 4.340 -0.001 0.000 0.266 123 L C -1.140 175.726 176.870 -0.007 0.000 1.114 123 L CA -1.995 52.842 54.840 -0.004 0.000 0.804 123 L CB 0.329 42.395 42.059 0.010 0.000 1.146 123 L HN 0.178 8.398 8.230 -0.017 0.000 0.451 124 P HA 0.121 4.529 4.420 -0.019 0.000 0.276 124 P C -1.264 176.035 177.300 -0.003 0.000 1.252 124 P CA -0.664 62.431 63.100 -0.008 0.000 0.802 124 P CB 0.779 32.472 31.700 -0.010 0.000 1.035 128 c N 0.422 118.994 118.600 -0.047 0.000 2.480 128 c HA 0.063 4.593 4.570 -0.068 0.000 0.358 128 c C -0.152 173.876 174.090 -0.103 0.000 1.309 128 c CA -0.615 55.671 56.329 -0.072 0.000 2.465 128 c CB 0.512 42.984 42.510 -0.063 0.000 2.379 128 c HN -0.031 8.175 8.230 -0.040 0.000 0.642 129 A N 0.233 122.954 122.820 -0.165 0.000 2.282 129 A HA 0.142 4.386 4.320 -0.125 0.000 0.319 129 A C -1.064 176.415 177.584 -0.175 0.000 1.121 129 A CA -0.584 51.348 52.037 -0.175 0.000 0.836 129 A CB 1.630 20.489 19.000 -0.236 0.000 1.146 129 A HN 0.221 8.242 8.150 -0.214 0.000 0.494 133 G N 0.845 109.608 108.800 -0.062 0.000 2.225 133 G HA2 -0.340 3.588 3.960 -0.052 0.000 0.254 133 G HA3 -0.340 3.594 3.960 -0.043 0.000 0.254 133 G C -0.038 174.826 174.900 -0.061 0.000 0.988 133 G CA 0.171 45.239 45.100 -0.054 0.000 0.625 133 G HN 0.810 8.947 8.290 -0.065 0.114 0.527 134 T N 4.086 118.591 114.554 -0.080 0.000 2.888 134 T HA -0.160 4.153 4.350 -0.061 0.000 0.301 134 T C -0.807 173.850 174.700 -0.072 0.000 1.001 134 T CA 2.361 64.414 62.100 -0.079 0.000 1.147 134 T CB 0.580 69.382 68.868 -0.111 0.000 0.931 134 T HN -0.444 7.656 8.240 -0.096 0.083 0.541 135 Q N 5.605 125.377 119.800 -0.047 0.000 2.261 135 Q HA 0.117 4.546 4.340 -0.038 -0.112 0.252 135 Q C -0.646 175.338 176.000 -0.027 0.000 0.915 135 Q CA 0.388 56.175 55.803 -0.028 0.000 0.915 135 Q CB 1.363 30.102 28.738 0.001 0.000 1.204 135 Q HN 0.134 8.381 8.270 -0.039 0.000 0.421 136 c N 2.976 121.562 118.600 -0.023 0.000 3.044 136 c HA 0.568 5.240 4.570 -0.014 -0.110 0.315 136 c C -1.899 172.200 174.090 0.014 0.000 1.320 136 c CA -1.521 54.797 56.329 -0.019 0.000 1.582 136 c CB 4.291 46.769 42.510 -0.052 0.000 2.039 136 c HN 0.892 8.997 8.230 -0.022 0.112 0.466 137 L N 0.887 122.126 121.223 0.027 0.000 2.313 137 L HA 0.902 5.464 4.340 0.061 -0.185 0.283 137 L C -2.218 174.671 176.870 0.032 0.000 1.013 137 L CA -1.380 53.491 54.840 0.052 0.000 0.816 137 L CB 3.170 45.282 42.059 0.088 0.000 1.236 137 L HN 0.737 8.867 8.230 0.019 0.112 0.419 138 I N 7.171 127.746 120.570 0.008 0.000 2.474 138 I HA 0.894 5.308 4.170 0.020 -0.232 0.294 138 I C -1.318 174.771 176.117 -0.047 0.000 1.005 138 I CA -1.615 59.686 61.300 0.001 0.000 1.113 138 I CB 2.616 40.622 38.000 0.011 0.000 1.289 138 I HN 1.034 9.145 8.210 0.013 0.107 0.436 139 S N 2.284 117.949 115.700 -0.057 0.000 2.618 139 S HA 1.009 5.505 4.470 -0.218 -0.156 0.277 139 S C -1.205 173.286 174.600 -0.182 0.000 1.138 139 S CA -1.710 56.382 58.200 -0.179 0.000 0.844 139 S CB 3.737 66.792 63.200 -0.242 0.000 1.127 139 S HN -0.185 8.123 8.310 -0.003 0.000 0.474 140 G N -1.347 107.254 108.800 -0.331 0.000 2.321 140 G HA2 0.140 3.877 3.960 -0.372 0.000 0.298 140 G HA3 0.140 4.220 3.960 -0.051 -0.151 0.298 140 G C -2.432 172.255 174.900 -0.356 0.000 1.385 140 G CA 0.572 45.502 45.100 -0.283 0.000 0.856 140 G HN 0.449 8.483 8.290 -0.426 0.000 0.584 141 W N 1.030 122.276 121.300 -0.091 0.000 3.015 141 W HA 0.390 4.992 4.660 -0.096 0.000 0.429 141 W C -0.331 176.206 176.519 0.031 0.000 0.976 141 W CA -0.974 56.274 57.345 -0.162 0.000 2.086 141 W CB 0.205 29.341 29.460 -0.540 0.000 1.125 141 W HN 0.584 8.914 8.180 0.251 0.000 0.721 142 G N 0.656 109.628 108.800 0.288 0.000 2.588 142 G HA2 -0.011 4.295 3.960 0.566 0.000 0.281 142 G HA3 -0.011 4.307 3.960 0.309 -0.173 0.281 142 G C -1.006 174.061 174.900 0.279 0.000 1.236 142 G CA -0.915 44.416 45.100 0.385 0.000 0.969 142 G HN -0.497 8.042 8.290 0.178 -0.142 0.504 143 N N -0.463 118.349 118.700 0.186 0.000 2.353 143 N HA -0.316 4.225 4.740 -0.646 -0.189 0.248 143 N C 0.886 176.335 175.510 -0.102 0.000 1.240 143 N CA 1.071 53.969 53.050 -0.253 0.000 0.862 143 N CB 0.638 38.956 38.487 -0.283 0.000 1.086 143 N HN 0.201 8.804 8.380 0.372 0.000 0.453 144 T N 0.153 114.624 114.554 -0.138 0.000 3.054 144 T HA 0.200 4.655 4.350 -0.036 -0.126 0.255 144 T C 0.167 174.831 174.700 -0.060 0.000 1.035 144 T CA 0.309 62.370 62.100 -0.064 0.000 0.941 144 T CB 1.329 70.170 68.868 -0.044 0.000 1.026 144 T HN 0.531 8.636 8.240 -0.226 0.000 0.533 145 K N 2.474 122.822 120.400 -0.087 0.000 2.270 145 K HA 0.299 4.596 4.320 -0.039 0.000 0.255 145 K C -0.494 176.081 176.600 -0.041 0.000 0.936 145 K CA -1.111 55.140 56.287 -0.060 0.000 0.809 145 K CB 2.797 35.254 32.500 -0.072 0.000 1.131 145 K HN -0.517 7.891 8.250 -0.138 -0.240 0.427 146 S N 0.260 115.950 115.700 -0.017 0.000 2.501 146 S HA -0.064 4.411 4.470 0.008 0.000 0.220 146 S C 0.088 174.690 174.600 0.003 0.000 0.997 146 S CA 1.239 59.440 58.200 0.002 0.000 0.919 146 S CB 0.881 64.088 63.200 0.012 0.000 0.778 146 S HN 0.166 8.468 8.310 -0.015 0.000 0.523 147 S N 1.728 117.424 115.700 -0.007 0.000 2.399 147 S HA 0.172 4.644 4.470 0.005 0.000 0.215 147 S C -0.986 173.606 174.600 -0.012 0.000 1.456 147 S CA -0.239 57.959 58.200 -0.003 0.000 1.199 147 S CB -0.118 63.082 63.200 0.001 0.000 1.063 147 S HN -0.497 7.763 8.310 -0.014 0.041 0.476 148 G N 1.390 110.182 108.800 -0.015 0.000 2.423 148 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.684 148 G HA3 -0.206 3.741 3.960 -0.022 0.000 0.684 148 G C -2.634 172.229 174.900 -0.062 0.000 1.309 148 G CA -0.832 44.255 45.100 -0.022 0.000 0.950 148 G HN -0.281 8.005 8.290 -0.007 0.000 0.587 149 T N -3.763 110.746 114.554 -0.074 0.000 2.779 149 T HA 0.089 4.395 4.350 -0.328 -0.153 0.280 149 T C -1.347 173.197 174.700 -0.259 0.000 0.987 149 T CA -1.559 60.414 62.100 -0.212 0.000 0.966 149 T CB 1.736 70.596 68.868 -0.014 0.000 0.933 149 T HN -0.146 8.076 8.240 -0.031 0.000 0.442 150 S N 4.201 119.626 115.700 -0.458 0.000 2.737 150 S HA 0.220 4.626 4.470 -0.107 0.000 0.269 150 S C -2.199 172.181 174.600 -0.366 0.000 1.150 150 S CA -0.292 57.764 58.200 -0.241 0.000 1.077 150 S CB 1.122 64.248 63.200 -0.123 0.000 1.075 150 S HN 0.707 9.016 8.310 -0.665 -0.398 0.476 151 Y N 5.811 126.149 120.300 0.063 0.000 2.341 151 Y HA 0.294 4.897 4.550 0.089 0.000 0.337 151 Y C -0.888 175.058 175.900 0.076 0.000 1.014 151 Y CA -2.968 55.181 58.100 0.082 0.000 1.111 151 Y CB 1.028 39.547 38.460 0.099 0.000 1.194 151 Y HN 0.140 8.507 8.280 0.146 0.000 0.462 152 P HA 0.287 4.783 4.420 0.126 0.000 0.280 152 P C -1.578 175.846 177.300 0.207 0.000 1.272 152 P CA -1.113 62.088 63.100 0.167 0.000 0.819 152 P CB 1.994 33.767 31.700 0.121 0.000 1.122 153 D N -2.675 117.825 120.400 0.167 0.000 2.262 153 D HA -0.039 4.664 4.640 0.105 0.000 0.212 153 D C -0.681 175.774 176.300 0.257 0.000 0.964 153 D CA 1.854 55.943 54.000 0.147 0.000 0.875 153 D CB 0.843 41.700 40.800 0.094 0.000 0.996 153 D HN 0.385 8.835 8.370 0.133 0.000 0.497 154 V N -7.829 112.233 119.914 0.246 0.000 2.975 154 V HA 0.734 5.310 4.120 0.429 -0.199 0.318 154 V C -0.692 175.456 176.094 0.090 0.000 1.077 154 V CA -2.811 59.648 62.300 0.266 0.000 1.000 154 V CB 2.076 33.969 31.823 0.117 0.000 1.066 154 V HN -0.912 7.378 8.190 0.168 0.000 0.452 155 L N 2.182 123.323 121.223 -0.137 0.000 2.462 155 L HA -0.059 3.422 4.340 -1.433 0.000 0.272 155 L C -0.300 176.301 176.870 -0.449 0.000 1.166 155 L CA 0.856 55.237 54.840 -0.764 0.000 0.880 155 L CB 0.508 42.085 42.059 -0.804 0.000 1.142 155 L HN -0.014 8.432 8.230 0.097 -0.158 0.473 156 K N 5.921 126.037 120.400 -0.474 0.000 2.156 156 K HA 0.678 4.956 4.320 -0.339 -0.162 0.250 156 K C -1.123 175.219 176.600 -0.430 0.000 0.955 156 K CA -2.606 53.465 56.287 -0.360 0.000 0.855 156 K CB 2.326 34.685 32.500 -0.234 0.000 1.101 156 K HN 0.016 7.908 8.250 -0.597 0.000 0.434 157 c N -0.646 117.602 118.600 -0.588 0.000 2.707 157 c HA 1.000 5.511 4.570 -0.404 -0.183 0.313 157 c C -1.762 171.944 174.090 -0.640 0.000 1.209 157 c CA -0.776 55.148 56.329 -0.674 0.000 1.635 157 c CB 3.626 45.571 42.510 -0.942 0.000 2.206 157 c HN 0.763 8.581 8.230 -0.686 0.000 0.485 158 L N 0.257 121.328 121.223 -0.253 0.000 2.526 158 L HA 0.369 4.776 4.340 0.112 0.000 0.263 158 L C -2.510 174.435 176.870 0.126 0.000 0.943 158 L CA 0.261 55.111 54.840 0.017 0.000 0.859 158 L CB 4.477 46.563 42.059 0.045 0.000 1.313 158 L HN 0.898 9.016 8.230 -0.188 0.000 0.406 159 K N 6.098 126.638 120.400 0.233 0.000 2.211 159 K HA 0.755 5.363 4.320 0.137 -0.205 0.275 159 K C -0.951 175.784 176.600 0.226 0.000 1.024 159 K CA -1.269 55.135 56.287 0.194 0.000 0.887 159 K CB 0.747 33.365 32.500 0.197 0.000 1.084 159 K HN 0.340 8.770 8.250 0.299 0.000 0.463 160 A N 4.595 127.482 122.820 0.111 0.000 2.486 160 A HA 0.642 4.950 4.320 -0.020 0.000 0.300 160 A C -3.377 174.147 177.584 -0.100 0.000 1.048 160 A CA -2.887 49.143 52.037 -0.011 0.000 0.696 160 A CB 3.156 22.149 19.000 -0.013 0.000 1.278 160 A HN 1.000 9.186 8.150 0.060 0.000 0.405 161 P HA 0.701 5.279 4.420 -0.095 -0.215 0.284 161 P C -1.056 176.176 177.300 -0.112 0.000 1.258 161 P CA -1.451 61.565 63.100 -0.140 0.000 0.824 161 P CB 1.539 33.154 31.700 -0.141 0.000 1.038 162 I N 0.315 120.835 120.570 -0.083 0.000 2.529 162 I HA -0.039 4.292 4.170 0.077 -0.116 0.284 162 I C 0.126 176.229 176.117 -0.023 0.000 1.082 162 I CA 0.570 61.847 61.300 -0.037 0.000 1.406 162 I CB 0.371 38.261 38.000 -0.183 0.000 1.405 162 I HN 0.069 8.220 8.210 -0.098 0.000 0.548 163 L N 6.543 127.790 121.223 0.039 0.000 2.400 163 L HA 0.268 4.600 4.340 -0.015 0.000 0.264 163 L C -0.330 176.556 176.870 0.028 0.000 1.061 163 L CA -1.058 53.793 54.840 0.018 0.000 0.799 163 L CB 0.926 43.004 42.059 0.033 0.000 1.240 163 L HN 0.423 8.619 8.230 0.123 0.108 0.461 164 S N -1.116 114.593 115.700 0.015 0.000 2.593 164 S HA -0.006 4.469 4.470 0.008 0.000 0.269 164 S C 0.372 174.996 174.600 0.039 0.000 1.334 164 S CA -0.530 57.680 58.200 0.016 0.000 1.015 164 S CB 1.359 64.563 63.200 0.008 0.000 0.912 164 S HN -0.046 8.269 8.310 0.008 0.000 0.541 165 D N 1.648 122.071 120.400 0.039 0.000 2.144 165 D HA -0.227 4.459 4.640 0.077 0.000 0.199 165 D C 1.517 177.846 176.300 0.049 0.000 0.984 165 D CA 3.664 57.697 54.000 0.055 0.000 0.834 165 D CB -0.420 40.408 40.800 0.047 0.000 0.955 165 D HN 0.595 8.981 8.370 0.026 0.000 0.465 166 S N -1.111 114.608 115.700 0.033 0.000 2.368 166 S HA -0.213 4.276 4.470 0.032 0.000 0.224 166 S C 2.203 176.819 174.600 0.026 0.000 1.029 166 S CA 3.259 61.476 58.200 0.028 0.000 0.988 166 S CB -0.636 62.575 63.200 0.017 0.000 0.838 166 S HN -0.026 8.292 8.310 0.026 0.008 0.462 167 S N 3.823 119.537 115.700 0.023 0.000 2.383 167 S HA -0.236 4.236 4.470 0.005 0.000 0.227 167 S C 1.829 176.443 174.600 0.024 0.000 1.026 167 S CA 4.218 62.426 58.200 0.014 0.000 0.981 167 S CB -0.112 63.094 63.200 0.010 0.000 0.818 167 S HN -0.460 7.863 8.310 0.023 0.000 0.472 168 c N 3.539 122.172 118.600 0.055 0.000 2.436 168 c HA -0.308 4.323 4.570 0.102 0.000 0.277 168 c C 1.734 175.896 174.090 0.118 0.000 1.241 168 c CA 2.723 59.112 56.329 0.099 0.000 1.721 168 c CB -1.705 40.876 42.510 0.118 0.000 2.043 168 c HN -0.039 8.216 8.230 0.056 0.008 0.472 169 K N -1.095 119.362 120.400 0.095 0.000 2.211 169 K HA -0.316 4.090 4.320 0.143 0.000 0.203 169 K C 2.394 179.032 176.600 0.063 0.000 1.050 169 K CA 2.841 59.187 56.287 0.098 0.000 0.945 169 K CB -0.310 32.236 32.500 0.076 0.000 0.732 169 K HN 0.157 8.455 8.250 0.080 0.000 0.451 170 S N -1.039 114.677 115.700 0.027 0.000 2.383 170 S HA -0.216 4.258 4.470 0.006 0.000 0.227 170 S C 1.345 175.916 174.600 -0.048 0.000 1.026 170 S CA 2.632 60.829 58.200 -0.004 0.000 0.981 170 S CB 0.049 63.243 63.200 -0.011 0.000 0.818 170 S HN -0.388 7.824 8.310 0.029 0.116 0.472 171 A N -0.307 122.456 122.820 -0.095 0.000 1.929 171 A HA -0.111 4.049 4.320 -0.267 0.000 0.216 171 A C -0.224 177.092 177.584 -0.445 0.000 1.176 171 A CA 2.083 53.938 52.037 -0.304 0.000 0.628 171 A CB 0.937 19.701 19.000 -0.392 0.000 0.816 171 A HN -0.580 7.442 8.150 -0.047 0.100 0.444 172 Y N -5.837 114.494 120.300 0.051 0.000 2.562 172 Y HA 0.487 5.107 4.550 0.116 0.000 0.363 172 Y C -2.419 173.541 175.900 0.100 0.000 0.991 172 Y CA -3.708 54.456 58.100 0.107 0.000 1.121 172 Y CB -0.169 38.390 38.460 0.164 0.000 1.159 172 Y HN -0.415 7.907 8.280 0.071 0.000 0.651 173 P HA -0.076 4.526 4.420 0.106 -0.119 0.264 173 P C 0.863 178.235 177.300 0.119 0.000 1.193 173 P CA 1.096 64.263 63.100 0.111 0.000 0.763 173 P CB 0.128 31.866 31.700 0.063 0.000 0.810 174 G N 3.916 112.777 108.800 0.100 0.000 2.189 174 G HA2 -0.367 3.630 3.960 0.062 0.000 0.267 174 G HA3 -0.367 3.629 3.960 0.060 0.000 0.267 174 G C 0.129 175.083 174.900 0.090 0.000 0.975 174 G CA 0.669 45.815 45.100 0.077 0.000 0.644 174 G HN 0.502 8.848 8.290 0.094 0.000 0.537 175 Q N -2.146 117.747 119.800 0.155 0.000 2.217 175 Q HA 0.096 4.476 4.340 0.066 0.000 0.217 175 Q C -0.539 175.602 176.000 0.236 0.000 0.844 175 Q CA -0.397 55.504 55.803 0.164 0.000 0.957 175 Q CB 1.501 30.380 28.738 0.235 0.000 1.127 175 Q HN -0.240 8.075 8.270 0.198 0.073 0.503 176 I N 0.522 121.220 120.570 0.214 0.000 2.315 176 I HA 0.057 4.373 4.170 0.244 0.000 0.291 176 I C -0.412 175.782 176.117 0.128 0.000 1.006 176 I CA -2.166 59.250 61.300 0.193 0.000 1.265 176 I CB -0.891 37.211 38.000 0.170 0.000 1.387 176 I HN -0.555 7.768 8.210 0.188 0.000 0.475 177 T N 2.640 117.267 114.554 0.122 0.000 2.910 177 T HA 0.373 4.763 4.350 0.066 0.000 0.279 177 T C 0.822 175.572 174.700 0.084 0.000 0.989 177 T CA -2.077 60.073 62.100 0.082 0.000 0.968 177 T CB 2.154 71.062 68.868 0.067 0.000 1.135 177 T HN -0.394 7.936 8.240 0.150 0.000 0.562 178 S N -2.335 113.399 115.700 0.057 0.000 2.603 178 S HA -0.188 4.320 4.470 0.063 0.000 0.229 178 S C -0.021 174.615 174.600 0.061 0.000 0.972 178 S CA 1.720 59.950 58.200 0.050 0.000 0.935 178 S CB -0.173 63.037 63.200 0.017 0.000 0.769 178 S HN 0.253 8.588 8.310 0.041 0.000 0.536 179 N N 0.377 119.127 118.700 0.083 0.000 2.251 179 N HA 0.131 4.927 4.740 0.093 0.000 0.217 179 N C -1.861 173.770 175.510 0.201 0.000 1.124 179 N CA -0.368 52.761 53.050 0.133 0.000 0.843 179 N CB 0.899 39.487 38.487 0.169 0.000 1.024 179 N HN -0.523 7.822 8.380 0.083 0.085 0.501 180 M N -1.381 118.323 119.600 0.173 0.000 2.593 180 M HA 0.877 5.643 4.480 0.114 -0.218 0.290 180 M C -2.407 174.016 176.300 0.205 0.000 1.244 180 M CA -0.442 54.941 55.300 0.139 0.000 0.857 180 M CB 5.243 37.900 32.600 0.095 0.000 1.738 180 M HN -0.732 7.556 8.290 0.150 0.092 0.461 181 F N -6.374 113.622 119.950 0.076 0.000 2.668 181 F HA 0.612 5.169 4.527 0.049 0.000 0.309 181 F C -2.793 173.057 175.800 0.084 0.000 1.117 181 F CA -1.613 56.427 58.000 0.067 0.000 0.951 181 F CB 2.366 41.403 39.000 0.062 0.000 1.323 181 F HN 0.100 8.275 8.300 -0.208 0.000 0.451 182 c N -0.056 118.713 118.600 0.281 0.000 2.391 182 c HA 0.992 5.792 4.570 0.055 -0.197 0.339 182 c C -1.114 173.177 174.090 0.335 0.000 1.205 182 c CA -1.015 55.424 56.329 0.183 0.000 1.937 182 c CB 2.792 45.377 42.510 0.125 0.000 2.341 182 c HN 0.892 9.323 8.230 0.336 0.000 0.516 183 A N 2.442 125.438 122.820 0.293 0.000 2.476 183 A HA 0.659 5.185 4.320 0.102 -0.145 0.280 183 A C -2.279 175.366 177.584 0.101 0.000 1.081 183 A CA -0.441 51.696 52.037 0.167 0.000 0.753 183 A CB 2.813 21.846 19.000 0.055 0.000 1.248 183 A HN 0.513 8.851 8.150 0.313 0.000 0.424 184 Y N 2.968 123.303 120.300 0.059 0.000 2.436 184 Y HA 0.021 4.592 4.550 0.035 0.000 0.343 184 Y C 1.058 176.975 175.900 0.029 0.000 1.008 184 Y CA 0.057 58.180 58.100 0.039 0.000 1.241 184 Y CB 0.150 38.632 38.460 0.036 0.000 1.153 184 Y HN 0.313 8.705 8.280 0.187 0.000 0.521 185 L N 4.213 125.507 121.223 0.119 0.000 2.275 185 L HA -0.327 4.042 4.340 0.047 0.000 0.215 185 L C 1.080 177.995 176.870 0.074 0.000 1.119 185 L CA 2.281 57.161 54.840 0.066 0.000 0.790 185 L CB -0.407 41.671 42.059 0.033 0.000 0.919 185 L HN 0.527 8.811 8.230 0.091 0.000 0.443 186 E N -2.333 117.931 120.200 0.107 0.000 2.482 186 E HA -0.114 4.264 4.350 0.047 0.000 0.196 186 E C 0.765 177.401 176.600 0.061 0.000 1.047 186 E CA 0.084 56.526 56.400 0.070 0.000 0.869 186 E CB -0.608 29.129 29.700 0.063 0.000 0.836 186 E HN 0.085 8.500 8.360 0.158 0.040 0.520 187 G N 0.882 109.736 108.800 0.091 0.000 3.421 187 G HA2 -0.399 3.640 3.960 0.088 0.000 0.656 187 G HA3 -0.399 3.609 3.960 0.046 -0.020 0.656 187 G C -0.882 174.042 174.900 0.041 0.000 1.007 187 G CA -0.068 45.074 45.100 0.069 0.000 0.811 187 G HN -0.473 7.718 8.290 0.136 0.180 0.433 188 K N 1.228 121.633 120.400 0.009 0.000 7.156 188 K HA -0.603 3.990 4.320 0.021 -0.261 0.723 188 K C -1.379 175.325 176.600 0.173 0.000 2.501 188 K CA 0.392 56.702 56.287 0.038 0.000 1.807 188 K CB -0.090 32.335 32.500 -0.125 0.000 1.947 188 K HN 0.295 8.575 8.250 0.050 0.000 0.300 189 D N 0.673 121.155 120.400 0.138 0.000 2.764 189 D HA 0.303 5.069 4.640 0.209 0.000 0.293 189 D C -1.933 174.441 176.300 0.123 0.000 1.287 189 D CA -0.562 53.532 54.000 0.156 0.000 0.768 189 D CB 4.297 45.172 40.800 0.124 0.000 1.288 189 D HN 0.275 8.701 8.370 0.094 0.000 0.426 190 S N -1.648 114.137 115.700 0.141 0.000 2.707 190 S HA 0.339 4.937 4.470 0.103 -0.067 0.276 190 S C -1.354 173.299 174.600 0.088 0.000 1.179 190 S CA -0.545 57.729 58.200 0.123 0.000 0.992 190 S CB 1.704 65.014 63.200 0.183 0.000 1.030 190 S HN 0.277 8.687 8.310 0.167 0.000 0.554 191 c N -1.592 117.067 118.600 0.098 0.000 3.316 191 c HA 0.279 4.899 4.570 0.084 0.000 0.360 191 c C -1.522 172.660 174.090 0.153 0.000 1.560 191 c CA -0.640 55.750 56.329 0.101 0.000 1.229 191 c CB 2.976 45.532 42.510 0.077 0.000 1.823 191 c HN 0.350 8.947 8.230 0.114 -0.298 0.440 192 Q N 1.620 121.524 119.800 0.174 0.000 2.304 192 Q HA -0.353 4.121 4.340 0.224 0.000 0.301 192 Q C 1.080 177.276 176.000 0.327 0.000 1.063 192 Q CA 2.124 58.070 55.803 0.239 0.000 0.947 192 Q CB 0.668 29.551 28.738 0.242 0.000 1.201 192 Q HN 0.466 8.822 8.270 0.143 0.000 0.389 193 G N 6.150 115.132 108.800 0.304 0.000 2.258 193 G HA2 -0.442 3.674 3.960 0.259 0.000 0.233 193 G HA3 -0.442 3.801 3.960 0.472 0.000 0.233 193 G C 0.494 175.612 174.900 0.364 0.000 1.006 193 G CA 1.072 46.386 45.100 0.357 0.000 0.620 193 G HN 0.404 8.851 8.290 0.261 0.000 0.511 194 D N 2.046 122.606 120.400 0.266 0.000 2.327 194 D HA 0.085 4.866 4.640 0.236 0.000 0.205 194 D C 0.151 176.547 176.300 0.160 0.000 0.989 194 D CA 0.970 55.095 54.000 0.208 0.000 0.873 194 D CB 0.709 41.604 40.800 0.158 0.000 0.955 194 D HN 0.035 8.444 8.370 0.248 0.110 0.515 195 S N -0.774 115.018 115.700 0.153 0.000 2.599 195 S HA -0.551 4.149 4.470 0.134 -0.149 0.303 195 S C 0.966 175.567 174.600 0.001 0.000 1.267 195 S CA 2.242 60.505 58.200 0.104 0.000 1.055 195 S CB -0.248 63.051 63.200 0.165 0.000 0.790 195 S HN -0.557 7.833 8.310 0.186 0.032 0.500 196 G N 4.583 113.376 108.800 -0.011 0.000 2.268 196 G HA2 -0.454 3.564 3.960 -0.039 0.000 0.240 196 G HA3 -0.454 3.587 3.960 -0.078 -0.128 0.240 196 G C 0.124 175.052 174.900 0.047 0.000 1.010 196 G CA 0.095 45.179 45.100 -0.027 0.000 0.618 196 G HN 0.780 9.087 8.290 0.028 0.000 0.516 197 G N 1.226 110.078 108.800 0.088 0.000 2.651 197 G HA2 0.298 4.401 3.960 0.117 0.000 0.260 197 G HA3 0.298 4.329 3.960 0.119 0.000 0.260 197 G C -2.625 172.357 174.900 0.135 0.000 1.216 197 G CA -1.808 43.362 45.100 0.117 0.000 0.913 197 G HN -0.134 8.026 8.290 0.092 0.186 0.535 198 P HA 0.358 4.979 4.420 0.127 -0.126 0.282 198 P C -1.629 175.735 177.300 0.107 0.000 1.249 198 P CA -0.936 62.252 63.100 0.148 0.000 0.806 198 P CB 1.626 33.470 31.700 0.239 0.000 0.984 199 V N 2.622 122.577 119.914 0.068 0.000 2.380 199 V HA 0.277 4.550 4.120 -0.018 -0.164 0.286 199 V C -1.329 174.772 176.094 0.011 0.000 1.015 199 V CA -0.472 61.829 62.300 0.001 0.000 0.834 199 V CB 1.708 33.498 31.823 -0.055 0.000 1.009 199 V HN -0.115 8.122 8.190 0.078 0.000 0.428 200 V N 8.092 128.007 119.914 0.001 0.000 2.417 200 V HA 0.637 4.914 4.120 -0.069 -0.199 0.291 200 V C -1.277 174.799 176.094 -0.031 0.000 1.024 200 V CA -1.277 60.997 62.300 -0.043 0.000 0.861 200 V CB 2.686 34.464 31.823 -0.075 0.000 0.985 200 V HN 0.727 8.932 8.190 0.025 0.000 0.436 201 c N 7.794 126.363 118.600 -0.052 0.000 2.396 201 c HA 0.586 5.136 4.570 -0.034 0.000 0.321 201 c C 0.209 174.270 174.090 -0.049 0.000 1.233 201 c CA -1.337 54.962 56.329 -0.051 0.000 1.440 201 c CB 2.038 44.498 42.510 -0.083 0.000 2.110 201 c HN 0.701 8.893 8.230 -0.064 0.000 0.473 202 S N 4.553 120.233 115.700 -0.033 0.000 3.549 202 S HA -0.428 4.032 4.470 -0.016 0.000 0.366 202 S C 0.320 174.901 174.600 -0.031 0.000 1.012 202 S CA 1.097 59.281 58.200 -0.027 0.000 1.141 202 S CB -1.968 61.212 63.200 -0.034 0.000 0.910 202 S HN 1.057 9.353 8.310 -0.024 0.000 0.471 203 G N -4.994 103.786 108.800 -0.034 0.000 2.153 203 G HA2 -0.507 3.422 3.960 -0.052 0.000 0.252 203 G HA3 -0.507 3.435 3.960 -0.031 0.000 0.252 203 G C -1.218 173.632 174.900 -0.083 0.000 0.994 203 G CA 0.340 45.410 45.100 -0.050 0.000 0.698 203 G HN 0.265 8.523 8.290 -0.026 0.016 0.521 210 Q N 1.213 121.028 119.800 0.026 0.000 2.392 210 Q HA 0.190 4.561 4.340 0.052 0.000 0.219 210 Q C -0.216 175.939 176.000 0.259 0.000 0.895 210 Q CA 0.233 56.073 55.803 0.061 0.000 0.929 210 Q CB 2.605 31.301 28.738 -0.070 0.000 1.077 210 Q HN 0.405 8.679 8.270 0.007 0.000 0.532 211 G N -3.282 105.685 108.800 0.279 0.000 2.694 211 G HA2 0.617 5.072 3.960 0.414 0.000 0.290 211 G HA3 0.617 4.839 3.960 0.437 0.000 0.290 211 G C -3.267 171.754 174.900 0.201 0.000 1.386 211 G CA -0.702 44.611 45.100 0.355 0.000 0.872 211 G HN -0.357 8.033 8.290 0.166 0.000 0.475 212 I N -1.129 119.560 120.570 0.199 0.000 2.466 212 I HA 0.566 5.045 4.170 0.159 -0.213 0.289 212 I C -0.381 175.875 176.117 0.232 0.000 1.026 212 I CA -1.389 60.011 61.300 0.168 0.000 1.078 212 I CB 4.117 42.175 38.000 0.095 0.000 1.249 212 I HN -0.338 7.986 8.210 0.190 0.000 0.429 213 V N 7.649 127.713 119.914 0.250 0.000 2.493 213 V HA -0.212 4.000 4.120 0.154 0.000 0.292 213 V C -1.170 174.955 176.094 0.052 0.000 1.016 213 V CA 2.153 64.559 62.300 0.176 0.000 1.097 213 V CB -1.029 30.907 31.823 0.188 0.000 0.947 213 V HN 0.466 8.782 8.190 0.210 0.000 0.479 214 S N 7.263 122.897 115.700 -0.111 0.000 3.200 214 S HA 0.417 5.076 4.470 0.315 0.000 0.209 214 S C -1.471 173.237 174.600 0.179 0.000 0.869 214 S CA 1.081 59.357 58.200 0.126 0.000 0.820 214 S CB 2.441 65.708 63.200 0.113 0.000 0.834 214 S HN -0.127 7.905 8.310 -0.463 0.000 0.622 215 W N -4.301 116.844 121.300 -0.259 0.000 3.069 215 W HA 0.268 4.822 4.660 -0.176 0.000 0.390 215 W C -2.500 173.843 176.519 -0.293 0.000 1.130 215 W CA -0.888 56.310 57.345 -0.246 0.000 1.138 215 W CB 1.326 30.633 29.460 -0.255 0.000 1.497 215 W HN -0.211 7.679 8.180 -0.484 0.000 0.600 216 G N -3.441 105.399 108.800 0.066 0.000 2.356 216 G HA2 0.087 3.712 3.960 -0.559 0.000 0.294 216 G HA3 0.087 3.970 3.960 -0.128 0.000 0.294 216 G C -2.132 172.897 174.900 0.214 0.000 1.423 216 G CA 0.084 45.116 45.100 -0.113 0.000 0.806 216 G HN -0.037 8.498 8.290 0.408 0.000 0.527 220 c N 1.912 120.551 118.600 0.065 0.000 3.465 220 c HA 0.317 5.070 4.570 0.065 -0.144 0.193 220 c C -1.466 172.657 174.090 0.055 0.000 1.515 220 c CA -0.848 55.517 56.329 0.060 0.000 1.340 220 c CB -1.248 41.293 42.510 0.052 0.000 1.928 220 c HN 0.332 8.597 8.230 0.057 0.000 0.510 221 Q N -1.511 118.323 119.800 0.056 0.000 2.920 221 Q HA 0.123 4.484 4.340 0.035 0.000 0.255 221 Q C -1.428 174.594 176.000 0.037 0.000 0.976 221 Q CA -0.616 55.212 55.803 0.042 0.000 0.862 221 Q CB 2.465 31.229 28.738 0.043 0.000 1.952 221 Q HN 0.186 8.496 8.270 0.066 0.000 0.489 222 K N 4.080 124.495 120.400 0.025 0.000 2.448 222 K HA -0.244 4.220 4.320 0.032 -0.124 0.278 222 K C 0.194 176.792 176.600 -0.004 0.000 1.009 222 K CA 0.703 57.001 56.287 0.018 0.000 0.995 222 K CB -0.022 32.486 32.500 0.013 0.000 0.917 222 K HN 0.272 8.535 8.250 0.022 0.000 0.481 223 N N 1.825 120.519 118.700 -0.011 0.000 2.778 223 N HA -0.482 4.229 4.740 -0.048 0.000 0.249 223 N C -1.637 173.796 175.510 -0.129 0.000 1.069 223 N CA 1.772 54.786 53.050 -0.059 0.000 0.831 223 N CB -0.369 38.079 38.487 -0.065 0.000 1.142 223 N HN 0.822 9.079 8.380 0.010 0.130 0.573 224 K N -2.037 118.316 120.400 -0.079 0.000 2.679 224 K HA 0.549 4.642 4.320 -0.378 0.000 0.188 224 K C -2.426 174.216 176.600 0.070 0.000 1.055 224 K CA -3.381 52.849 56.287 -0.095 0.000 1.006 224 K CB -0.045 32.464 32.500 0.014 0.000 1.317 224 K HN -0.755 7.420 8.250 -0.018 0.065 0.584 225 P HA -0.042 4.438 4.420 0.099 0.000 0.274 225 P C -0.448 176.897 177.300 0.074 0.000 1.260 225 P CA -0.446 62.717 63.100 0.105 0.000 0.793 225 P CB 1.153 32.903 31.700 0.083 0.000 1.048 226 G N -2.258 106.549 108.800 0.012 0.000 2.503 226 G HA2 0.287 4.125 3.960 -0.361 0.000 0.257 226 G HA3 0.287 4.097 3.960 -0.250 0.000 0.257 226 G C -1.797 172.782 174.900 -0.534 0.000 1.214 226 G CA -0.624 44.304 45.100 -0.287 0.000 0.839 226 G HN -0.348 8.008 8.290 0.111 0.000 0.559 227 V N 2.047 121.317 119.914 -1.073 0.000 2.495 227 V HA 0.632 4.503 4.120 -0.699 -0.171 0.298 227 V C -0.990 174.350 176.094 -1.257 0.000 1.031 227 V CA -0.987 60.635 62.300 -1.129 0.000 0.871 227 V CB 2.268 32.966 31.823 -1.875 0.000 0.988 227 V HN 0.474 7.984 8.190 -1.132 0.000 0.432 228 Y N 5.132 125.027 120.300 -0.675 0.000 2.499 228 Y HA 0.602 5.082 4.550 -0.365 -0.149 0.347 228 Y C 0.263 175.891 175.900 -0.454 0.000 0.987 228 Y CA -2.297 55.422 58.100 -0.636 0.000 1.044 228 Y CB 3.835 41.631 38.460 -1.106 0.000 1.245 228 Y HN 0.965 8.855 8.280 -0.650 0.000 0.461 229 T N 4.845 119.379 114.554 -0.034 0.000 2.851 229 T HA 0.043 4.623 4.350 0.123 -0.157 0.298 229 T C -0.654 174.191 174.700 0.242 0.000 0.977 229 T CA 1.372 63.534 62.100 0.103 0.000 1.126 229 T CB 0.525 69.433 68.868 0.066 0.000 0.916 229 T HN 0.426 8.676 8.240 0.017 0.000 0.529 230 K N 8.303 128.927 120.400 0.373 0.000 2.171 230 K HA 0.073 4.812 4.320 0.698 0.000 0.274 230 K C 1.003 177.859 176.600 0.427 0.000 1.110 230 K CA -0.434 56.144 56.287 0.485 0.000 0.952 230 K CB -0.368 32.360 32.500 0.380 0.000 1.309 230 K HN 0.212 8.562 8.250 0.339 0.104 0.414 231 V N 6.126 126.272 119.914 0.386 0.000 2.469 231 V HA -0.532 3.884 4.120 0.492 0.000 0.251 231 V C 1.418 177.671 176.094 0.265 0.000 1.064 231 V CA 3.924 66.436 62.300 0.353 0.000 1.066 231 V CB -0.302 31.658 31.823 0.228 0.000 0.667 231 V HN 0.297 8.728 8.190 0.401 0.000 0.461 232 c N -3.276 115.417 118.600 0.154 0.000 2.409 232 c HA -0.232 4.381 4.570 0.073 0.000 0.284 232 c C 1.660 175.767 174.090 0.028 0.000 1.354 232 c CA 1.812 58.184 56.329 0.071 0.000 1.787 232 c CB -2.077 40.445 42.510 0.020 0.000 1.900 232 c HN 0.502 8.804 8.230 0.152 0.018 0.520 233 N N 0.097 118.779 118.700 -0.029 0.000 2.467 233 N HA -0.078 4.564 4.740 -0.164 0.000 0.184 233 N C -0.101 175.171 175.510 -0.396 0.000 1.106 233 N CA 1.097 53.989 53.050 -0.263 0.000 0.892 233 N CB -0.220 37.983 38.487 -0.474 0.000 0.969 233 N HN -0.389 7.982 8.380 0.050 0.038 0.454 234 Y N -4.774 115.594 120.300 0.113 0.000 2.557 234 Y HA 0.126 4.809 4.550 0.222 0.000 0.247 234 Y C 0.189 176.221 175.900 0.220 0.000 1.164 234 Y CA -0.317 57.904 58.100 0.202 0.000 1.218 234 Y CB -0.094 38.505 38.460 0.232 0.000 1.210 234 Y HN -0.111 8.075 8.280 0.171 0.197 0.529 235 V N 1.288 121.337 119.914 0.225 0.000 2.287 235 V HA -0.589 3.626 4.120 0.157 0.000 0.248 235 V C 1.283 177.450 176.094 0.122 0.000 1.053 235 V CA 5.104 67.494 62.300 0.150 0.000 1.027 235 V CB -0.509 31.363 31.823 0.082 0.000 0.646 235 V HN -0.877 7.406 8.190 0.155 0.000 0.447 236 S N 0.046 115.818 115.700 0.120 0.000 2.368 236 S HA -0.354 4.141 4.470 0.041 0.000 0.225 236 S C 1.642 176.317 174.600 0.124 0.000 1.030 236 S CA 3.651 61.905 58.200 0.090 0.000 0.999 236 S CB -0.526 62.724 63.200 0.083 0.000 0.844 236 S HN 0.182 8.559 8.310 0.113 0.000 0.459 237 W N 3.875 125.212 121.300 0.062 0.000 2.355 237 W HA -0.171 4.513 4.660 0.041 0.000 0.309 237 W C 1.513 178.044 176.519 0.021 0.000 1.206 237 W CA 3.057 60.447 57.345 0.076 0.000 1.284 237 W CB -0.037 29.550 29.460 0.211 0.000 1.145 237 W HN -0.401 8.006 8.180 0.378 0.000 0.502 238 I N -0.988 119.606 120.570 0.040 0.000 2.142 238 I HA -0.763 3.043 4.170 -0.608 0.000 0.240 238 I C 1.872 177.769 176.117 -0.368 0.000 1.078 238 I CA 4.562 65.703 61.300 -0.265 0.000 1.343 238 I CB -0.248 37.748 38.000 -0.006 0.000 1.046 238 I HN 0.319 8.730 8.210 0.334 0.000 0.405 239 K N -0.920 119.360 120.400 -0.199 0.000 2.032 239 K HA -0.450 3.729 4.320 -0.236 0.000 0.209 239 K C 2.751 179.203 176.600 -0.246 0.000 1.048 239 K CA 3.820 59.986 56.287 -0.202 0.000 0.927 239 K CB -0.389 32.053 32.500 -0.098 0.000 0.712 239 K HN -0.103 8.095 8.250 -0.087 0.000 0.441 240 Q N -2.045 117.622 119.800 -0.221 0.000 2.050 240 Q HA -0.308 3.940 4.340 -0.153 0.000 0.202 240 Q C 2.691 178.502 176.000 -0.315 0.000 0.980 240 Q CA 3.476 59.154 55.803 -0.207 0.000 0.840 240 Q CB 0.031 28.694 28.738 -0.125 0.000 0.898 240 Q HN 0.193 8.360 8.270 -0.172 0.000 0.424 241 T N 2.731 116.969 114.554 -0.527 0.000 2.708 241 T HA -0.258 3.841 4.350 -0.418 0.000 0.266 241 T C 2.453 176.820 174.700 -0.556 0.000 1.037 241 T CA 4.842 66.582 62.100 -0.600 0.000 1.146 241 T CB -0.170 68.052 68.868 -1.078 0.000 0.865 241 T HN 0.070 7.823 8.240 -0.633 0.107 0.435 242 I N 1.150 121.284 120.570 -0.727 0.000 2.226 242 I HA -0.479 2.866 4.170 -1.376 0.000 0.245 242 I C 1.751 177.643 176.117 -0.376 0.000 1.100 242 I CA 3.749 64.507 61.300 -0.903 0.000 1.374 242 I CB -0.403 37.007 38.000 -0.983 0.000 1.057 242 I HN 0.139 7.923 8.210 -0.710 0.000 0.413 243 A N -0.282 122.367 122.820 -0.284 0.000 1.940 243 A HA -0.234 4.025 4.320 -0.102 0.000 0.219 243 A C 1.427 178.961 177.584 -0.084 0.000 1.176 243 A CA 2.843 54.796 52.037 -0.141 0.000 0.631 243 A CB -0.434 18.492 19.000 -0.124 0.000 0.814 243 A HN -0.037 7.904 8.150 -0.336 0.008 0.446 244 S N -4.244 111.394 115.700 -0.104 0.000 2.634 244 S HA 0.099 4.553 4.470 -0.027 0.000 0.221 244 S C -0.594 174.007 174.600 0.003 0.000 0.952 244 S CA 0.915 59.087 58.200 -0.047 0.000 0.930 244 S CB 0.579 63.741 63.200 -0.063 0.000 0.780 244 S HN -0.373 7.737 8.310 -0.169 0.098 0.498 245 N N 0.000 118.729 118.700 0.048 0.000 1.763 245 N HA 0.000 4.813 4.740 0.121 0.000 0.220 245 N CA 0.000 53.158 53.050 0.179 0.000 0.885 245 N CB 0.000 38.665 38.487 0.297 0.000 1.341 245 N HN 0.000 8.205 8.380 0.011 0.181 0.667