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 1o36_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 4.186 4.170 0.027 0.000 0.288 16 I C 0.000 176.112 176.117 -0.009 0.000 1.063 16 I CA 0.000 61.298 61.300 -0.004 0.000 1.566 16 I CB 0.000 37.962 38.000 -0.064 0.000 1.214 17 V N 5.422 125.342 119.914 0.010 0.000 2.483 17 V HA 0.260 4.509 4.120 -0.011 -0.136 0.295 17 V C 0.639 176.736 176.094 0.006 0.000 1.035 17 V CA -1.675 60.626 62.300 0.003 0.000 0.896 17 V CB 1.318 33.148 31.823 0.012 0.000 0.986 17 V HN 0.831 9.040 8.190 0.032 0.000 0.447 18 G N 6.280 115.077 108.800 -0.004 0.000 2.179 18 G HA2 -0.407 3.547 3.960 -0.009 0.000 0.257 18 G HA3 -0.407 3.722 3.960 -0.024 -0.183 0.257 18 G C -0.655 174.253 174.900 0.014 0.000 1.010 18 G CA 0.604 45.699 45.100 -0.008 0.000 0.736 18 G HN 0.811 9.096 8.290 -0.008 0.000 0.513 19 G N -0.974 107.831 108.800 0.007 0.000 2.606 19 G HA2 0.490 4.483 3.960 0.073 0.000 0.262 19 G HA3 0.490 4.466 3.960 -0.101 -0.077 0.262 19 G C -1.726 173.210 174.900 0.061 0.000 1.394 19 G CA -1.008 44.092 45.100 -0.001 0.000 1.044 19 G HN -0.650 7.597 8.290 -0.011 0.036 0.553 20 Y N -6.275 114.006 120.300 -0.032 0.000 2.644 20 Y HA 0.369 4.902 4.550 -0.029 0.000 0.338 20 Y C -1.856 174.017 175.900 -0.046 0.000 1.119 20 Y CA -2.740 55.340 58.100 -0.033 0.000 1.060 20 Y CB 1.040 39.483 38.460 -0.027 0.000 1.294 20 Y HN 0.304 8.119 8.280 -0.602 0.104 0.472 21 T N 2.330 116.943 114.554 0.098 0.000 2.834 21 T HA 0.074 4.500 4.350 -0.098 -0.134 0.298 21 T C 0.197 174.927 174.700 0.050 0.000 0.966 21 T CA 1.066 63.169 62.100 0.005 0.000 1.141 21 T CB -0.072 68.822 68.868 0.043 0.000 0.905 21 T HN 0.009 8.355 8.240 0.177 0.000 0.535 22 c N 6.153 124.691 118.600 -0.104 0.000 2.429 22 c HA -0.105 4.480 4.570 0.026 0.000 0.277 22 c C 0.169 174.279 174.090 0.034 0.000 1.262 22 c CA 0.876 57.175 56.329 -0.051 0.000 1.733 22 c CB 0.243 42.650 42.510 -0.172 0.000 2.010 22 c HN 0.130 8.246 8.230 -0.191 0.000 0.483 23 G N -2.056 106.748 108.800 0.006 0.000 2.885 23 G HA2 -0.168 3.808 3.960 0.026 0.000 0.685 23 G HA3 -0.168 3.810 3.960 0.030 0.000 0.685 23 G C -1.922 172.978 174.900 0.002 0.000 1.216 23 G CA -0.821 44.291 45.100 0.020 0.000 0.790 23 G HN -0.359 7.917 8.290 -0.022 0.000 0.631 24 A N 3.151 125.979 122.820 0.014 0.000 2.546 24 A HA -0.194 4.391 4.320 0.026 -0.249 0.243 24 A C -0.320 177.269 177.584 0.010 0.000 1.063 24 A CA 0.965 53.014 52.037 0.020 0.000 0.757 24 A CB 0.041 19.060 19.000 0.031 0.000 0.991 24 A HN 0.314 8.477 8.150 0.021 0.000 0.503 25 N N -2.909 115.795 118.700 0.007 0.000 2.708 25 N HA -0.383 4.352 4.740 -0.009 0.000 0.251 25 N C 0.609 176.102 175.510 -0.029 0.000 1.123 25 N CA 1.782 54.828 53.050 -0.007 0.000 0.739 25 N CB -1.023 37.470 38.487 0.011 0.000 1.113 25 N HN 0.559 8.951 8.380 0.020 0.000 0.561 26 T N -3.190 111.339 114.554 -0.042 0.000 3.113 26 T HA -0.037 4.306 4.350 -0.012 0.000 0.256 26 T C 0.017 174.666 174.700 -0.086 0.000 1.131 26 T CA 2.250 64.329 62.100 -0.035 0.000 1.074 26 T CB 0.363 69.225 68.868 -0.011 0.000 0.944 26 T HN -0.538 7.635 8.240 -0.044 0.041 0.516 27 V N 2.037 121.842 119.914 -0.183 0.000 2.320 27 V HA 0.378 4.230 4.120 -0.447 0.000 0.257 27 V C -1.533 174.278 176.094 -0.472 0.000 0.996 27 V CA -3.338 58.696 62.300 -0.444 0.000 0.928 27 V CB 0.515 32.042 31.823 -0.492 0.000 1.169 27 V HN -0.520 7.505 8.190 -0.151 0.075 0.475 28 P HA 0.092 4.567 4.420 -0.067 -0.095 0.237 28 P C -0.234 177.040 177.300 -0.043 0.000 1.178 28 P CA 1.418 64.464 63.100 -0.090 0.000 0.766 28 P CB 0.053 31.762 31.700 0.015 0.000 0.876 29 Y N -6.069 114.259 120.300 0.046 0.000 2.462 29 Y HA 0.551 5.288 4.550 0.059 -0.152 0.261 29 Y C -0.666 175.274 175.900 0.068 0.000 1.146 29 Y CA -3.296 54.837 58.100 0.055 0.000 1.283 29 Y CB -0.993 37.494 38.460 0.045 0.000 1.090 29 Y HN -0.407 7.306 8.280 -0.820 0.075 0.526 30 Q N 2.754 122.437 119.800 -0.194 0.000 2.332 30 Q HA 0.184 4.711 4.340 0.099 -0.128 0.263 30 Q C -0.316 175.775 176.000 0.153 0.000 0.979 30 Q CA 0.320 56.116 55.803 -0.012 0.000 0.885 30 Q CB 1.258 29.884 28.738 -0.185 0.000 1.218 30 Q HN -0.647 7.176 8.270 -0.479 0.160 0.405 31 V N 0.429 120.469 119.914 0.210 0.000 3.102 31 V HA 0.853 5.205 4.120 0.185 -0.120 0.312 31 V C -2.014 174.216 176.094 0.228 0.000 1.135 31 V CA -2.986 59.423 62.300 0.182 0.000 1.022 31 V CB 4.026 35.907 31.823 0.095 0.000 1.056 31 V HN 0.157 8.469 8.190 0.204 0.000 0.436 32 S N 0.244 115.966 115.700 0.037 0.000 2.473 32 S HA 0.425 5.081 4.470 0.133 -0.106 0.307 32 S C -1.111 173.338 174.600 -0.251 0.000 1.094 32 S CA -1.931 56.219 58.200 -0.083 0.000 1.070 32 S CB 1.817 64.768 63.200 -0.415 0.000 1.019 32 S HN -0.111 8.185 8.310 -0.024 0.000 0.480 33 L N 6.540 127.469 121.223 -0.490 0.000 2.289 33 L HA 0.534 4.757 4.340 -0.391 -0.117 0.285 33 L C -1.441 174.950 176.870 -0.799 0.000 1.049 33 L CA -0.819 53.619 54.840 -0.671 0.000 0.804 33 L CB 1.111 42.566 42.059 -1.006 0.000 1.195 33 L HN 0.809 8.689 8.230 -0.584 0.000 0.428 38 G N 0.891 109.599 108.800 -0.155 0.000 2.195 38 G HA2 -0.348 3.602 3.960 -0.016 0.000 0.224 38 G HA3 -0.348 3.693 3.960 0.135 0.000 0.224 38 G C -1.809 173.184 174.900 0.154 0.000 0.990 38 G CA 0.258 45.378 45.100 0.034 0.000 0.639 38 G HN 0.348 8.802 8.290 -0.197 -0.283 0.514 39 Y N -7.028 113.244 120.300 -0.046 0.000 2.702 39 Y HA 0.233 4.741 4.550 -0.069 0.000 0.336 39 Y C -2.468 173.421 175.900 -0.017 0.000 1.203 39 Y CA -3.605 54.468 58.100 -0.046 0.000 1.072 39 Y CB 0.750 39.182 38.460 -0.047 0.000 1.327 39 Y HN -1.176 6.854 8.280 -0.448 -0.018 0.456 40 H N 2.109 121.114 119.070 -0.109 0.000 2.767 40 H HA 0.050 4.565 4.556 -0.357 -0.173 0.316 40 H C -0.711 174.578 175.328 -0.064 0.000 1.059 40 H CA 0.046 55.960 56.048 -0.224 0.000 1.461 40 H CB 0.473 30.085 29.762 -0.249 0.000 1.475 40 H HN 0.205 8.569 8.280 0.139 0.000 0.531 41 F N 1.203 120.697 119.950 -0.760 0.000 2.747 41 F HA 0.359 4.783 4.527 -0.172 0.000 0.305 41 F C -1.507 174.057 175.800 -0.393 0.000 1.065 41 F CA -0.308 57.449 58.000 -0.405 0.000 1.230 41 F CB 1.755 40.587 39.000 -0.281 0.000 1.027 41 F HN -0.314 7.274 8.300 -1.187 0.000 0.607 42 c N -1.765 116.212 118.600 -1.039 0.000 3.321 42 c HA 0.448 5.020 4.570 -0.165 -0.101 0.329 42 c C -1.577 172.298 174.090 -0.359 0.000 1.394 42 c CA -0.388 55.654 56.329 -0.480 0.000 1.291 42 c CB 4.102 46.409 42.510 -0.339 0.000 1.606 42 c HN -0.829 6.441 8.230 -1.600 0.000 0.463 43 G N -1.052 107.737 108.800 -0.018 0.000 2.705 43 G HA2 0.817 5.056 3.960 0.227 0.000 0.299 43 G HA3 0.817 4.918 3.960 0.235 0.000 0.299 43 G C -2.551 172.374 174.900 0.041 0.000 1.315 43 G CA -1.698 43.490 45.100 0.147 0.000 1.045 43 G HN 0.726 9.019 8.290 0.005 0.000 0.517 44 G N -4.116 104.743 108.800 0.097 0.000 2.495 44 G HA2 0.520 4.807 3.960 0.071 0.000 0.294 44 G HA3 0.520 4.509 3.960 0.048 0.000 0.294 44 G C -2.995 171.988 174.900 0.137 0.000 1.397 44 G CA 0.347 45.495 45.100 0.080 0.000 0.790 44 G HN -0.602 7.782 8.290 0.157 0.000 0.486 45 S N -0.724 115.061 115.700 0.142 0.000 2.521 45 S HA 0.794 5.610 4.470 0.254 -0.194 0.295 45 S C -1.300 173.400 174.600 0.167 0.000 1.098 45 S CA -0.924 57.392 58.200 0.193 0.000 0.999 45 S CB 3.813 67.116 63.200 0.171 0.000 1.034 45 S HN 0.521 8.902 8.310 0.118 0.000 0.483 46 L N 5.918 127.255 121.223 0.189 0.000 2.313 46 L HA 0.152 4.697 4.340 0.147 -0.117 0.282 46 L C -0.775 176.180 176.870 0.141 0.000 1.092 46 L CA -0.067 54.868 54.840 0.159 0.000 0.831 46 L CB 0.983 43.136 42.059 0.157 0.000 1.159 46 L HN 0.365 8.743 8.230 0.246 0.000 0.442 47 I N 0.085 120.736 120.570 0.135 0.000 4.181 47 I HA 0.495 4.850 4.170 0.068 -0.144 0.331 47 I C -0.938 175.237 176.117 0.096 0.000 1.312 47 I CA -0.656 60.700 61.300 0.094 0.000 1.146 47 I CB 0.894 38.939 38.000 0.075 0.000 1.074 47 I HN 0.499 8.807 8.210 0.164 0.000 0.402 48 N N -2.210 116.570 118.700 0.134 0.000 3.116 48 N HA 0.157 4.953 4.740 0.094 0.000 0.244 48 N C -0.537 175.052 175.510 0.133 0.000 1.485 48 N CA -0.526 52.600 53.050 0.126 0.000 0.884 48 N CB 0.881 39.454 38.487 0.143 0.000 1.415 48 N HN -0.905 7.571 8.380 0.159 0.000 0.524 49 S N -3.410 112.355 115.700 0.108 0.000 2.500 49 S HA -0.344 4.169 4.470 0.073 0.000 0.239 49 S C 0.837 175.475 174.600 0.062 0.000 0.989 49 S CA 2.773 61.020 58.200 0.079 0.000 0.951 49 S CB -0.137 63.098 63.200 0.058 0.000 0.759 49 S HN 0.397 8.766 8.310 0.099 0.000 0.523 50 Q N -0.712 119.144 119.800 0.093 0.000 2.164 50 Q HA 0.327 4.620 4.340 -0.077 0.000 0.226 50 Q C -2.123 173.774 176.000 -0.172 0.000 0.813 50 Q CA -0.370 55.402 55.803 -0.051 0.000 0.978 50 Q CB 2.657 31.338 28.738 -0.095 0.000 1.149 50 Q HN 0.200 8.885 8.270 0.180 -0.307 0.489 51 W N -2.365 118.942 121.300 0.013 0.000 2.936 51 W HA 0.667 5.514 4.660 0.011 -0.181 0.338 51 W C -1.435 175.099 176.519 0.025 0.000 1.121 51 W CA -1.042 56.310 57.345 0.012 0.000 1.209 51 W CB 3.789 33.248 29.460 -0.003 0.000 1.420 51 W HN -0.376 8.107 8.180 0.280 -0.135 0.516 52 V N 0.647 120.728 119.914 0.279 0.000 2.914 52 V HA 0.866 5.275 4.120 0.174 -0.184 0.314 52 V C -1.465 174.746 176.094 0.195 0.000 1.084 52 V CA -1.856 60.555 62.300 0.185 0.000 0.963 52 V CB 3.904 35.792 31.823 0.109 0.000 1.025 52 V HN 0.763 9.136 8.190 0.304 0.000 0.432 53 V N 4.842 124.845 119.914 0.148 0.000 2.555 53 V HA 0.785 5.175 4.120 0.155 -0.177 0.302 53 V C -1.353 174.796 176.094 0.092 0.000 1.038 53 V CA -1.367 61.012 62.300 0.131 0.000 0.887 53 V CB 2.551 34.445 31.823 0.117 0.000 0.991 53 V HN 0.700 8.868 8.190 0.136 0.104 0.434 54 S N 4.188 119.927 115.700 0.065 0.000 2.880 54 S HA 0.604 5.306 4.470 0.022 -0.218 0.308 54 S C -2.086 172.496 174.600 -0.031 0.000 1.195 54 S CA -2.585 55.623 58.200 0.014 0.000 0.866 54 S CB 2.551 65.748 63.200 -0.006 0.000 1.254 54 S HN 0.708 9.067 8.310 0.081 0.000 0.571 55 A N -0.523 122.233 122.820 -0.106 0.000 2.306 55 A HA 0.478 4.873 4.320 -0.143 -0.160 0.314 55 A C 0.708 178.143 177.584 -0.248 0.000 1.164 55 A CA -1.655 50.266 52.037 -0.193 0.000 0.822 55 A CB 1.601 20.414 19.000 -0.312 0.000 1.130 55 A HN 0.299 8.378 8.150 -0.118 0.000 0.496 56 A N 4.618 127.242 122.820 -0.327 0.000 1.978 56 A HA -0.259 3.902 4.320 -0.264 0.000 0.220 56 A C 1.262 178.594 177.584 -0.419 0.000 1.170 56 A CA 2.921 54.660 52.037 -0.498 0.000 0.636 56 A CB -0.432 17.898 19.000 -1.115 0.000 0.810 56 A HN 0.612 8.578 8.150 -0.305 0.001 0.448 57 H N -5.253 113.654 119.070 -0.271 0.000 2.563 57 H HA -0.056 4.513 4.556 0.022 0.000 0.272 57 H C 0.039 175.414 175.328 0.078 0.000 1.005 57 H CA 1.171 57.215 56.048 -0.007 0.000 1.171 57 H CB -1.121 28.714 29.762 0.122 0.000 1.351 57 H HN -0.032 8.355 8.280 -0.296 -0.285 0.602 58 c N -1.355 117.179 118.600 -0.110 0.000 2.855 58 c HA 0.008 4.687 4.570 0.181 0.000 0.279 58 c C -1.138 173.045 174.090 0.155 0.000 1.270 58 c CA -0.098 56.274 56.329 0.073 0.000 1.702 58 c CB -1.428 41.086 42.510 0.006 0.000 1.949 58 c HN -0.637 7.278 8.230 -0.209 0.189 0.618 59 Y N 2.507 122.808 120.300 0.003 0.000 2.480 59 Y HA -0.133 4.439 4.550 0.037 0.000 0.338 59 Y C -1.593 174.288 175.900 -0.032 0.000 1.220 59 Y CA 1.299 59.401 58.100 0.004 0.000 1.430 59 Y CB 1.183 39.628 38.460 -0.025 0.000 1.311 59 Y HN -0.395 7.801 8.280 0.160 0.180 0.575 60 K N 5.290 124.891 120.400 -1.332 0.000 2.735 60 K HA 0.191 4.076 4.320 -0.724 0.000 0.295 60 K C -2.559 173.490 176.600 -0.917 0.000 1.052 60 K CA -1.038 54.691 56.287 -0.930 0.000 0.853 60 K CB 2.050 34.203 32.500 -0.579 0.000 1.535 60 K HN -0.028 7.269 8.250 -1.588 0.000 0.383 61 S N -0.843 114.572 115.700 -0.474 0.000 2.722 61 S HA 0.139 4.439 4.470 -0.285 0.000 0.292 61 S C 0.716 175.190 174.600 -0.211 0.000 1.135 61 S CA -0.565 57.472 58.200 -0.270 0.000 1.003 61 S CB 1.529 64.665 63.200 -0.108 0.000 1.067 61 S HN -0.188 7.915 8.310 -0.346 0.000 0.546 62 G N -0.073 108.645 108.800 -0.138 0.000 2.289 62 G HA2 -0.256 3.654 3.960 -0.084 0.000 0.280 62 G HA3 -0.256 3.636 3.960 -0.114 0.000 0.280 62 G C -1.622 173.208 174.900 -0.117 0.000 1.089 62 G CA 0.219 45.252 45.100 -0.112 0.000 0.939 62 G HN 0.303 8.528 8.290 -0.109 0.000 0.499 63 I N -1.315 119.197 120.570 -0.096 0.000 2.385 63 I HA 0.105 4.388 4.170 -0.001 -0.114 0.294 63 I C -1.703 174.376 176.117 -0.064 0.000 0.988 63 I CA -0.910 60.365 61.300 -0.041 0.000 1.265 63 I CB 1.096 39.095 38.000 -0.002 0.000 1.388 63 I HN -0.498 7.652 8.210 -0.100 0.000 0.480 64 Q N 6.451 126.198 119.800 -0.088 0.000 3.106 64 Q HA 0.539 4.830 4.340 -0.082 0.000 0.247 64 Q C -1.669 174.243 176.000 -0.148 0.000 1.033 64 Q CA -1.999 53.734 55.803 -0.117 0.000 0.888 64 Q CB 4.342 32.980 28.738 -0.167 0.000 1.586 64 Q HN 0.533 8.753 8.270 -0.083 0.000 0.482 65 R N -2.413 118.030 120.500 -0.094 0.000 3.008 65 R HA 0.365 4.966 4.340 0.168 -0.160 0.284 65 R C -1.494 174.842 176.300 0.060 0.000 1.187 65 R CA 0.070 56.165 56.100 -0.009 0.000 1.139 65 R CB 2.296 32.457 30.300 -0.233 0.000 1.273 65 R HN 0.549 8.738 8.270 -0.135 0.000 0.410 70 E N -0.443 119.851 120.200 0.156 0.000 2.283 70 E HA 0.117 4.545 4.350 0.131 0.000 0.271 70 E C -1.878 174.904 176.600 0.303 0.000 1.031 70 E CA 0.269 56.778 56.400 0.181 0.000 0.868 70 E CB 1.572 31.319 29.700 0.077 0.000 1.094 70 E HN -0.620 7.811 8.360 0.175 0.034 0.401 71 D N 0.699 121.259 120.400 0.266 0.000 2.912 71 D HA 0.058 4.904 4.640 0.344 0.000 0.170 71 D C -1.070 175.433 176.300 0.338 0.000 1.484 71 D CA 0.944 55.113 54.000 0.281 0.000 1.542 71 D CB 2.440 43.321 40.800 0.136 0.000 1.344 71 D HN 0.093 8.570 8.370 0.179 0.000 0.222 72 N N 1.164 119.972 118.700 0.180 0.000 2.405 72 N HA 0.142 5.109 4.740 0.185 -0.117 0.260 72 N C 2.036 177.569 175.510 0.038 0.000 1.152 72 N CA -0.315 52.813 53.050 0.132 0.000 0.948 72 N CB 0.436 38.971 38.487 0.080 0.000 1.111 72 N HN -0.406 8.333 8.380 0.133 -0.280 0.485 73 I N -0.328 120.188 120.570 -0.089 0.000 3.444 73 I HA -0.020 4.155 4.170 -0.246 -0.153 0.287 73 I C -0.408 175.631 176.117 -0.131 0.000 1.302 73 I CA 0.984 62.124 61.300 -0.268 0.000 1.368 73 I CB -0.732 36.865 38.000 -0.673 0.000 1.048 73 I HN 0.730 8.912 8.210 -0.046 0.000 0.487 74 N N -1.824 116.848 118.700 -0.048 0.000 2.187 74 N HA 0.171 4.896 4.740 -0.026 0.000 0.212 74 N C -1.093 174.426 175.510 0.015 0.000 1.152 74 N CA 0.010 53.051 53.050 -0.014 0.000 0.872 74 N CB 1.770 40.258 38.487 0.002 0.000 1.025 74 N HN 0.046 8.723 8.380 -0.022 -0.310 0.514 75 V N 0.333 120.262 119.914 0.026 0.000 2.760 75 V HA 0.121 4.261 4.120 0.034 0.000 0.309 75 V C -1.256 174.866 176.094 0.046 0.000 1.077 75 V CA -0.919 61.402 62.300 0.035 0.000 0.910 75 V CB 3.757 35.599 31.823 0.032 0.000 1.008 75 V HN -0.705 7.490 8.190 0.019 0.006 0.424 76 V N 7.483 127.422 119.914 0.041 0.000 2.389 76 V HA -0.006 4.375 4.120 0.041 -0.236 0.264 76 V C -0.126 175.971 176.094 0.006 0.000 1.049 76 V CA 0.317 62.631 62.300 0.023 0.000 0.932 76 V CB 0.139 31.957 31.823 -0.007 0.000 1.011 76 V HN 0.415 8.626 8.190 0.035 0.000 0.475 77 E N 7.935 128.140 120.200 0.009 0.000 2.431 77 E HA 0.124 4.478 4.350 0.007 0.000 0.200 77 E C -0.171 176.425 176.600 -0.006 0.000 0.995 77 E CA -0.265 56.140 56.400 0.008 0.000 0.915 77 E CB 0.768 30.482 29.700 0.024 0.000 0.930 77 E HN 0.270 9.039 8.360 0.016 -0.399 0.496 78 G N -0.340 108.448 108.800 -0.020 0.000 2.484 78 G HA2 -0.205 3.721 3.960 -0.058 0.000 0.685 78 G HA3 -0.205 3.741 3.960 -0.024 0.000 0.685 78 G C -1.815 173.070 174.900 -0.025 0.000 1.294 78 G CA -0.729 44.351 45.100 -0.034 0.000 0.879 78 G HN -0.476 8.217 8.290 -0.023 -0.417 0.646 79 N N -4.078 114.600 118.700 -0.036 0.000 2.980 79 N HA -0.270 4.456 4.740 -0.023 0.000 0.213 79 N C -0.994 174.500 175.510 -0.027 0.000 0.892 79 N CA 1.286 54.324 53.050 -0.021 0.000 1.025 79 N CB -0.240 38.250 38.487 0.005 0.000 1.030 79 N HN 0.145 8.495 8.380 -0.051 0.000 0.585 80 E N -0.970 119.191 120.200 -0.065 0.000 2.383 80 E HA 0.155 4.747 4.350 0.018 -0.231 0.264 80 E C -0.065 176.435 176.600 -0.167 0.000 1.050 80 E CA 0.712 57.061 56.400 -0.085 0.000 0.896 80 E CB 0.479 30.064 29.700 -0.192 0.000 0.982 80 E HN -0.208 8.001 8.360 -0.079 0.103 0.424 81 Q N 1.673 121.441 119.800 -0.054 0.000 2.274 81 Q HA 0.276 4.529 4.340 -0.144 0.000 0.268 81 Q C -1.570 174.532 176.000 0.169 0.000 1.015 81 Q CA -1.151 54.629 55.803 -0.039 0.000 0.775 81 Q CB 3.058 31.803 28.738 0.012 0.000 1.256 81 Q HN 0.278 8.595 8.270 0.079 0.000 0.442 82 F N 3.330 123.259 119.950 -0.035 0.000 2.402 82 F HA 0.549 5.241 4.527 -0.053 -0.197 0.355 82 F C -0.134 175.640 175.800 -0.043 0.000 1.123 82 F CA -2.876 55.097 58.000 -0.046 0.000 1.021 82 F CB 1.224 40.196 39.000 -0.048 0.000 1.160 82 F HN 0.364 8.655 8.300 -0.015 0.000 0.451 83 I N 3.814 124.461 120.570 0.128 0.000 2.582 83 I HA 0.252 4.448 4.170 0.045 0.000 0.292 83 I C -1.368 174.750 176.117 0.002 0.000 1.066 83 I CA -1.423 59.903 61.300 0.044 0.000 1.053 83 I CB 4.178 42.188 38.000 0.017 0.000 1.241 83 I HN 0.751 9.025 8.210 0.107 0.000 0.421 84 S N 4.800 120.491 115.700 -0.015 0.000 2.601 84 S HA 0.163 4.722 4.470 -0.044 -0.115 0.271 84 S C -0.494 174.071 174.600 -0.058 0.000 1.305 84 S CA 0.394 58.572 58.200 -0.038 0.000 1.022 84 S CB 1.142 64.322 63.200 -0.034 0.000 0.940 84 S HN 0.357 8.662 8.310 -0.008 0.000 0.525 85 A N 2.592 125.373 122.820 -0.064 0.000 2.363 85 A HA 0.220 4.592 4.320 -0.103 -0.114 0.270 85 A C -0.517 177.017 177.584 -0.084 0.000 1.121 85 A CA -0.419 51.570 52.037 -0.081 0.000 0.800 85 A CB 0.644 19.608 19.000 -0.061 0.000 1.052 85 A HN -0.282 7.833 8.150 -0.059 0.000 0.493 86 S N 3.342 118.970 115.700 -0.121 0.000 2.387 86 S HA 0.008 4.433 4.470 -0.074 0.000 0.221 86 S C 0.402 174.958 174.600 -0.073 0.000 1.041 86 S CA 1.312 59.450 58.200 -0.103 0.000 0.959 86 S CB 0.803 63.915 63.200 -0.147 0.000 0.843 86 S HN 0.664 8.751 8.310 -0.172 0.119 0.488 87 K N -0.022 120.326 120.400 -0.088 0.000 2.556 87 K HA 0.277 4.615 4.320 0.029 0.000 0.274 87 K C -2.313 174.310 176.600 0.037 0.000 0.966 87 K CA -0.777 55.507 56.287 -0.005 0.000 0.865 87 K CB 3.455 35.961 32.500 0.010 0.000 1.444 87 K HN -0.819 7.337 8.250 -0.156 0.000 0.433 88 S N 0.995 116.777 115.700 0.136 0.000 2.500 88 S HA 0.689 5.428 4.470 0.182 -0.160 0.301 88 S C -0.911 173.818 174.600 0.214 0.000 1.092 88 S CA -0.458 57.869 58.200 0.212 0.000 1.030 88 S CB 2.601 66.013 63.200 0.353 0.000 1.031 88 S HN 0.155 8.558 8.310 0.156 0.000 0.483 89 I N 7.208 127.917 120.570 0.231 0.000 2.437 89 I HA 0.125 4.388 4.170 0.154 0.000 0.279 89 I C -1.656 174.605 176.117 0.239 0.000 1.028 89 I CA -0.742 60.688 61.300 0.216 0.000 1.142 89 I CB 1.700 39.843 38.000 0.239 0.000 1.266 89 I HN 1.041 9.303 8.210 0.262 0.105 0.461 90 V N 7.493 127.477 119.914 0.117 0.000 2.732 90 V HA -0.106 4.053 4.120 0.064 0.000 0.297 90 V C -0.234 175.928 176.094 0.114 0.000 1.060 90 V CA -0.831 61.499 62.300 0.050 0.000 1.038 90 V CB 1.090 32.847 31.823 -0.109 0.000 1.003 90 V HN 0.334 8.548 8.190 0.041 0.000 0.481 91 H N 8.080 127.117 119.070 -0.055 0.000 3.034 91 H HA -0.027 4.339 4.556 -0.317 0.000 0.324 91 H C 0.059 175.357 175.328 -0.051 0.000 1.015 91 H CA 0.346 56.244 56.048 -0.249 0.000 1.429 91 H CB 1.089 30.561 29.762 -0.483 0.000 1.429 91 H HN -0.272 8.029 8.280 0.036 0.000 0.585 92 P HA -0.121 4.303 4.420 0.007 0.000 0.218 92 P C -0.364 176.977 177.300 0.069 0.000 1.148 92 P CA 1.528 64.594 63.100 -0.056 0.000 0.822 92 P CB 0.335 31.983 31.700 -0.087 0.000 0.784 93 S N -3.736 112.100 115.700 0.227 0.000 2.614 93 S HA 0.012 4.542 4.470 0.099 0.000 0.230 93 S C -0.600 174.109 174.600 0.181 0.000 0.952 93 S CA 0.084 58.410 58.200 0.210 0.000 0.949 93 S CB 0.283 63.612 63.200 0.214 0.000 0.786 93 S HN -0.433 8.039 8.310 0.316 0.027 0.478 94 Y N 3.663 124.017 120.300 0.090 0.000 2.526 94 Y HA -0.266 4.453 4.550 -0.034 -0.189 0.330 94 Y C -0.887 175.008 175.900 -0.008 0.000 1.156 94 Y CA 0.721 58.826 58.100 0.007 0.000 1.419 94 Y CB 0.879 39.344 38.460 0.008 0.000 1.250 94 Y HN -0.645 7.649 8.280 0.331 0.184 0.540 95 N N 7.347 125.649 118.700 -0.664 0.000 2.479 95 N HA 0.223 4.673 4.740 -0.483 0.000 0.261 95 N C -0.148 174.835 175.510 -0.878 0.000 0.979 95 N CA -1.367 51.326 53.050 -0.595 0.000 0.930 95 N CB 1.573 39.886 38.487 -0.289 0.000 1.172 95 N HN -0.130 7.971 8.380 -0.464 0.000 0.499 96 S N 7.088 122.281 115.700 -0.846 0.000 2.474 96 S HA -0.162 3.954 4.470 -0.589 0.000 0.235 96 S C 0.804 175.230 174.600 -0.290 0.000 0.997 96 S CA 2.317 60.204 58.200 -0.523 0.000 0.949 96 S CB -0.142 62.928 63.200 -0.218 0.000 0.766 96 S HN 0.639 8.549 8.310 -0.667 0.000 0.517 97 N N 1.941 120.475 118.700 -0.276 0.000 2.290 97 N HA -0.007 4.616 4.740 -0.194 0.000 0.179 97 N C 1.164 176.520 175.510 -0.258 0.000 1.016 97 N CA 2.418 55.337 53.050 -0.218 0.000 0.871 97 N CB 0.506 38.891 38.487 -0.170 0.000 0.987 97 N HN 0.343 8.764 8.380 -0.304 -0.224 0.431 98 T N -4.089 110.308 114.554 -0.261 0.000 3.014 98 T HA 0.053 4.211 4.350 -0.320 0.000 0.250 98 T C 0.255 174.776 174.700 -0.299 0.000 1.060 98 T CA 0.515 62.452 62.100 -0.272 0.000 1.040 98 T CB 1.666 70.426 68.868 -0.180 0.000 0.971 98 T HN -0.336 8.047 8.240 -0.261 -0.300 0.497 99 L N -3.419 117.661 121.223 -0.237 0.000 4.089 99 L HA -0.494 3.960 4.340 0.057 -0.080 0.408 99 L C -1.890 175.017 176.870 0.061 0.000 1.184 99 L CA 0.375 55.186 54.840 -0.050 0.000 0.947 99 L CB -2.658 39.335 42.059 -0.110 0.000 2.066 99 L HN -0.009 8.011 8.230 -0.283 0.040 0.851 100 N N -0.943 117.745 118.700 -0.020 0.000 2.520 100 N HA -0.111 4.680 4.740 0.085 0.000 0.273 100 N C -0.091 175.462 175.510 0.071 0.000 1.155 100 N CA 0.466 53.538 53.050 0.035 0.000 0.967 100 N CB 1.340 39.821 38.487 -0.010 0.000 1.092 100 N HN -0.786 7.488 8.380 -0.118 0.036 0.457 101 N N -0.505 118.235 118.700 0.067 0.000 2.783 101 N HA -0.467 4.191 4.740 -0.136 0.000 0.247 101 N C -1.379 174.109 175.510 -0.036 0.000 1.089 101 N CA 1.360 54.355 53.050 -0.093 0.000 0.690 101 N CB -1.508 36.833 38.487 -0.243 0.000 0.991 101 N HN 0.618 9.060 8.380 0.104 0.000 0.552 102 D N -0.940 119.480 120.400 0.034 0.000 2.600 102 D HA 0.009 4.668 4.640 0.031 0.000 0.226 102 D C -1.691 174.501 176.300 -0.180 0.000 1.119 102 D CA -0.049 53.965 54.000 0.023 0.000 1.051 102 D CB -0.875 40.028 40.800 0.172 0.000 1.106 102 D HN -0.134 8.270 8.370 0.056 0.000 0.491 103 I N 1.410 121.812 120.570 -0.280 0.000 2.802 103 I HA 0.571 4.797 4.170 -0.161 -0.153 0.298 103 I C -3.072 172.985 176.117 -0.100 0.000 1.176 103 I CA -1.646 59.514 61.300 -0.232 0.000 1.025 103 I CB 4.241 41.966 38.000 -0.457 0.000 1.243 103 I HN 0.117 8.118 8.210 -0.278 0.043 0.424 104 M N 5.756 125.370 119.600 0.025 0.000 2.421 104 M HA 0.705 5.490 4.480 0.224 -0.171 0.287 104 M C -2.778 173.649 176.300 0.212 0.000 1.183 104 M CA -0.961 54.424 55.300 0.141 0.000 0.916 104 M CB 4.806 37.444 32.600 0.063 0.000 1.701 104 M HN 0.503 8.803 8.290 0.017 0.000 0.470 105 L N 3.168 124.562 121.223 0.285 0.000 2.334 105 L HA 0.857 5.531 4.340 0.272 -0.171 0.276 105 L C -1.296 175.778 176.870 0.339 0.000 1.014 105 L CA -1.475 53.551 54.840 0.310 0.000 0.815 105 L CB 3.025 45.244 42.059 0.266 0.000 1.268 105 L HN 0.465 8.890 8.230 0.324 0.000 0.428 106 I N 0.664 121.420 120.570 0.310 0.000 2.465 106 I HA 0.578 4.979 4.170 0.115 -0.162 0.291 106 I C -1.640 174.438 176.117 -0.066 0.000 1.014 106 I CA -1.420 59.955 61.300 0.125 0.000 1.093 106 I CB 3.335 41.371 38.000 0.061 0.000 1.267 106 I HN 0.874 9.291 8.210 0.344 0.000 0.431 107 K N 5.657 125.809 120.400 -0.414 0.000 2.138 107 K HA 0.664 4.282 4.320 -1.404 -0.140 0.263 107 K C -1.114 175.195 176.600 -0.487 0.000 0.965 107 K CA -1.942 53.731 56.287 -1.023 0.000 0.868 107 K CB 3.354 35.087 32.500 -1.280 0.000 1.083 107 K HN 0.750 8.846 8.250 -0.257 0.000 0.443 108 L N 3.278 124.242 121.223 -0.431 0.000 2.379 108 L HA 0.292 4.638 4.340 -0.169 -0.107 0.269 108 L C 1.613 178.366 176.870 -0.196 0.000 1.084 108 L CA -0.459 54.248 54.840 -0.221 0.000 0.802 108 L CB 0.723 42.695 42.059 -0.145 0.000 1.175 108 L HN 0.826 8.619 8.230 -0.566 0.097 0.448 109 K N 2.550 122.875 120.400 -0.125 0.000 2.057 109 K HA -0.314 3.941 4.320 -0.109 0.000 0.207 109 K C -0.399 176.152 176.600 -0.082 0.000 1.049 109 K CA 2.809 59.038 56.287 -0.096 0.000 0.931 109 K CB 0.488 32.950 32.500 -0.062 0.000 0.714 109 K HN 0.629 8.817 8.250 -0.103 0.000 0.440 110 S N -4.001 111.658 115.700 -0.069 0.000 2.599 110 S HA 0.155 4.593 4.470 -0.052 0.000 0.287 110 S C -1.534 173.037 174.600 -0.048 0.000 1.105 110 S CA -1.024 57.146 58.200 -0.050 0.000 0.899 110 S CB 2.762 65.944 63.200 -0.031 0.000 1.100 110 S HN -0.511 7.760 8.310 -0.065 0.000 0.482 111 A N 0.189 122.988 122.820 -0.033 0.000 2.366 111 A HA 0.037 4.471 4.320 -0.030 -0.131 0.249 111 A C -0.287 177.294 177.584 -0.006 0.000 1.084 111 A CA -0.221 51.805 52.037 -0.018 0.000 0.794 111 A CB 0.479 19.478 19.000 -0.000 0.000 1.034 111 A HN 0.208 8.342 8.150 -0.028 0.000 0.491 112 A N 0.180 123.005 122.820 0.007 0.000 2.302 112 A HA 0.251 4.658 4.320 0.010 -0.081 0.285 112 A C -0.696 176.899 177.584 0.018 0.000 1.105 112 A CA -1.386 50.661 52.037 0.016 0.000 0.816 112 A CB 1.592 20.610 19.000 0.030 0.000 1.067 112 A HN 0.270 8.318 8.150 0.012 0.109 0.489 113 S N 0.630 116.338 115.700 0.014 0.000 2.452 113 S HA 0.110 4.589 4.470 0.015 0.000 0.284 113 S C -0.592 174.021 174.600 0.022 0.000 1.171 113 S CA -0.494 57.714 58.200 0.014 0.000 1.064 113 S CB 0.726 63.929 63.200 0.005 0.000 0.967 113 S HN -0.003 8.641 8.310 0.011 -0.328 0.484 114 L N 5.603 126.842 121.223 0.027 0.000 2.357 114 L HA 0.280 4.770 4.340 0.039 -0.127 0.273 114 L C -0.549 176.339 176.870 0.029 0.000 1.080 114 L CA -0.390 54.471 54.840 0.035 0.000 0.803 114 L CB 0.812 42.897 42.059 0.042 0.000 1.174 114 L HN 0.236 8.481 8.230 0.025 0.000 0.443 115 N N 2.990 121.709 118.700 0.031 0.000 3.588 115 N HA 0.167 4.922 4.740 0.024 0.000 0.340 115 N C -1.346 174.183 175.510 0.031 0.000 1.609 115 N CA -0.588 52.477 53.050 0.026 0.000 0.811 115 N CB 1.105 39.603 38.487 0.019 0.000 2.184 115 N HN 0.593 8.881 8.380 0.038 0.115 0.577 116 S N -2.565 113.151 115.700 0.026 0.000 2.436 116 S HA -0.164 4.327 4.470 0.035 0.000 0.228 116 S C 0.597 175.214 174.600 0.029 0.000 1.014 116 S CA 2.418 60.635 58.200 0.029 0.000 0.950 116 S CB 0.103 63.316 63.200 0.022 0.000 0.784 116 S HN 0.027 8.349 8.310 0.021 0.000 0.504 117 R N -0.890 119.625 120.500 0.025 0.000 2.254 117 R HA 0.138 4.488 4.340 0.017 0.000 0.195 117 R C -1.165 175.153 176.300 0.029 0.000 0.957 117 R CA 0.062 56.175 56.100 0.022 0.000 1.024 117 R CB 1.009 31.320 30.300 0.019 0.000 0.952 117 R HN 0.022 8.558 8.270 0.023 -0.252 0.484 118 V N -1.605 118.332 119.914 0.038 0.000 2.419 118 V HA 0.287 4.637 4.120 0.055 -0.198 0.287 118 V C -2.166 173.967 176.094 0.065 0.000 1.017 118 V CA -0.954 61.377 62.300 0.052 0.000 0.844 118 V CB 2.456 34.307 31.823 0.046 0.000 1.011 118 V HN -0.244 8.059 8.190 0.036 -0.092 0.429 119 A N 6.802 129.677 122.820 0.092 0.000 2.566 119 A HA 0.629 5.000 4.320 0.084 0.000 0.292 119 A C -3.041 174.632 177.584 0.148 0.000 1.112 119 A CA -1.523 50.578 52.037 0.107 0.000 0.707 119 A CB 2.985 22.049 19.000 0.107 0.000 1.302 119 A HN 0.281 8.369 8.150 0.101 0.122 0.409 120 S N -1.855 113.917 115.700 0.120 0.000 2.672 120 S HA 0.586 5.296 4.470 0.156 -0.146 0.276 120 S C -0.668 173.981 174.600 0.083 0.000 1.207 120 S CA -0.923 57.348 58.200 0.119 0.000 1.002 120 S CB 1.677 64.928 63.200 0.086 0.000 0.998 120 S HN -0.016 8.350 8.310 0.094 0.000 0.542 121 I N 0.270 120.847 120.570 0.011 0.000 2.750 121 I HA 0.245 4.343 4.170 -0.120 0.000 0.308 121 I C -1.260 174.809 176.117 -0.081 0.000 1.016 121 I CA -1.677 59.536 61.300 -0.144 0.000 1.098 121 I CB 4.050 41.754 38.000 -0.493 0.000 1.279 121 I HN 0.070 8.302 8.210 0.036 0.000 0.454 122 S N 4.208 119.856 115.700 -0.088 0.000 2.616 122 S HA 0.285 4.739 4.470 -0.027 0.000 0.277 122 S C -0.830 173.743 174.600 -0.045 0.000 1.234 122 S CA -0.581 57.590 58.200 -0.048 0.000 1.028 122 S CB 1.058 64.234 63.200 -0.039 0.000 0.988 122 S HN 0.192 8.432 8.310 -0.118 0.000 0.522 123 L N 2.323 123.534 121.223 -0.020 0.000 2.399 123 L HA 0.214 4.555 4.340 0.002 0.000 0.266 123 L C -1.240 175.627 176.870 -0.005 0.000 1.114 123 L CA -1.975 52.864 54.840 -0.001 0.000 0.804 123 L CB 0.223 42.289 42.059 0.012 0.000 1.146 123 L HN 0.254 8.474 8.230 -0.016 0.000 0.451 124 P HA 0.123 4.533 4.420 -0.017 0.000 0.276 124 P C -1.260 176.040 177.300 0.000 0.000 1.261 124 P CA -0.737 62.360 63.100 -0.005 0.000 0.800 124 P CB 0.812 32.509 31.700 -0.005 0.000 1.066 128 c N 0.417 118.994 118.600 -0.038 0.000 2.422 128 c HA 0.111 4.649 4.570 -0.054 0.000 0.364 128 c C -0.084 173.951 174.090 -0.093 0.000 1.251 128 c CA -0.727 55.567 56.329 -0.059 0.000 2.441 128 c CB 0.660 43.143 42.510 -0.045 0.000 2.393 128 c HN -0.051 8.159 8.230 -0.033 0.000 0.606 129 A N 0.731 123.459 122.820 -0.153 0.000 2.264 129 A HA 0.084 4.332 4.320 -0.120 0.000 0.304 129 A C -1.022 176.461 177.584 -0.167 0.000 1.100 129 A CA -0.409 51.528 52.037 -0.167 0.000 0.839 129 A CB 1.322 20.183 19.000 -0.231 0.000 1.121 129 A HN 0.150 8.183 8.150 -0.196 0.000 0.496 133 G N 0.135 108.893 108.800 -0.069 0.000 2.284 133 G HA2 -0.380 3.545 3.960 -0.059 0.000 0.261 133 G HA3 -0.380 3.552 3.960 -0.048 0.000 0.261 133 G C 0.034 174.892 174.900 -0.070 0.000 0.997 133 G CA 0.483 45.547 45.100 -0.060 0.000 0.621 133 G HN 0.827 8.978 8.290 -0.070 0.097 0.534 134 T N 3.244 117.742 114.554 -0.092 0.000 2.928 134 T HA -0.176 4.132 4.350 -0.071 0.000 0.305 134 T C -1.200 173.447 174.700 -0.088 0.000 1.035 134 T CA 2.310 64.354 62.100 -0.093 0.000 1.145 134 T CB 0.776 69.568 68.868 -0.127 0.000 0.963 134 T HN -0.435 7.642 8.240 -0.106 0.098 0.545 135 Q N 5.490 125.254 119.800 -0.060 0.000 2.257 135 Q HA 0.238 4.667 4.340 -0.054 -0.122 0.255 135 Q C -0.884 175.092 176.000 -0.040 0.000 0.920 135 Q CA 0.063 55.841 55.803 -0.041 0.000 0.927 135 Q CB 1.705 30.438 28.738 -0.010 0.000 1.229 135 Q HN 0.215 8.455 8.270 -0.050 0.000 0.433 136 c N 3.231 121.808 118.600 -0.038 0.000 3.044 136 c HA 0.550 5.197 4.570 -0.024 -0.091 0.315 136 c C -1.933 172.160 174.090 0.005 0.000 1.320 136 c CA -1.676 54.635 56.329 -0.031 0.000 1.582 136 c CB 4.262 46.729 42.510 -0.071 0.000 2.039 136 c HN 0.818 8.915 8.230 -0.040 0.109 0.466 137 L N 0.722 121.958 121.223 0.021 0.000 2.325 137 L HA 0.909 5.477 4.340 0.053 -0.195 0.281 137 L C -2.138 174.751 176.870 0.031 0.000 1.004 137 L CA -1.380 53.489 54.840 0.047 0.000 0.823 137 L CB 3.283 45.392 42.059 0.085 0.000 1.236 137 L HN 0.706 8.837 8.230 0.015 0.108 0.415 138 I N 7.742 128.315 120.570 0.005 0.000 2.404 138 I HA 0.849 5.265 4.170 0.021 -0.233 0.293 138 I C -1.208 174.879 176.117 -0.051 0.000 0.992 138 I CA -1.455 59.845 61.300 -0.000 0.000 1.149 138 I CB 2.190 40.195 38.000 0.008 0.000 1.315 138 I HN 0.823 9.038 8.210 0.007 0.000 0.446 139 S N 2.975 118.638 115.700 -0.062 0.000 2.627 139 S HA 1.068 5.575 4.470 -0.229 -0.175 0.283 139 S C -1.026 173.458 174.600 -0.194 0.000 1.127 139 S CA -1.939 56.149 58.200 -0.188 0.000 0.863 139 S CB 3.785 66.836 63.200 -0.248 0.000 1.121 139 S HN -0.225 8.082 8.310 -0.006 0.000 0.479 140 G N -1.388 107.196 108.800 -0.360 0.000 2.321 140 G HA2 0.105 3.823 3.960 -0.403 0.000 0.298 140 G HA3 0.105 4.156 3.960 -0.058 -0.126 0.298 140 G C -2.230 172.444 174.900 -0.375 0.000 1.385 140 G CA 0.465 45.381 45.100 -0.307 0.000 0.856 140 G HN 0.297 8.309 8.290 -0.462 0.000 0.584 141 W N 1.299 122.536 121.300 -0.104 0.000 3.151 141 W HA 0.342 4.940 4.660 -0.103 0.000 0.424 141 W C -0.292 176.242 176.519 0.024 0.000 1.012 141 W CA -0.951 56.292 57.345 -0.169 0.000 2.018 141 W CB 0.016 29.146 29.460 -0.551 0.000 1.087 141 W HN 0.588 8.944 8.180 0.292 0.000 0.740 142 G N 0.716 109.672 108.800 0.260 0.000 2.580 142 G HA2 -0.028 4.261 3.960 0.514 0.000 0.278 142 G HA3 -0.028 4.262 3.960 0.269 -0.169 0.278 142 G C -0.817 174.203 174.900 0.199 0.000 1.212 142 G CA -0.886 44.411 45.100 0.329 0.000 0.939 142 G HN -0.438 8.073 8.290 0.151 -0.131 0.513 143 N N 0.182 118.945 118.700 0.104 0.000 2.232 143 N HA -0.342 4.219 4.740 -0.584 -0.171 0.251 143 N C 0.826 176.269 175.510 -0.112 0.000 1.242 143 N CA 1.411 54.311 53.050 -0.251 0.000 0.837 143 N CB 0.555 38.879 38.487 -0.271 0.000 1.079 143 N HN 0.146 8.685 8.380 0.266 0.000 0.461 144 T N 0.149 114.620 114.554 -0.138 0.000 3.054 144 T HA 0.208 4.681 4.350 -0.043 -0.149 0.255 144 T C 0.230 174.893 174.700 -0.061 0.000 1.035 144 T CA 0.426 62.486 62.100 -0.068 0.000 0.941 144 T CB 1.438 70.277 68.868 -0.049 0.000 1.026 144 T HN 0.253 8.364 8.240 -0.216 0.000 0.533 145 K N 2.208 122.557 120.400 -0.086 0.000 2.259 145 K HA 0.269 4.566 4.320 -0.038 0.000 0.249 145 K C -0.638 175.938 176.600 -0.040 0.000 0.942 145 K CA -1.162 55.090 56.287 -0.057 0.000 0.816 145 K CB 2.568 35.028 32.500 -0.066 0.000 1.155 145 K HN -0.488 7.941 8.250 -0.135 -0.261 0.428 146 S N -0.406 115.283 115.700 -0.017 0.000 2.486 146 S HA -0.059 4.414 4.470 0.004 0.000 0.220 146 S C 0.072 174.673 174.600 0.002 0.000 1.011 146 S CA 1.076 59.276 58.200 0.000 0.000 0.921 146 S CB 1.211 64.417 63.200 0.010 0.000 0.785 146 S HN 0.118 8.419 8.310 -0.015 0.000 0.517 147 S N 1.107 116.803 115.700 -0.006 0.000 2.252 147 S HA 0.199 4.673 4.470 0.005 0.000 0.187 147 S C -0.725 173.869 174.600 -0.009 0.000 1.587 147 S CA -0.216 57.983 58.200 -0.001 0.000 1.215 147 S CB -0.038 63.163 63.200 0.002 0.000 1.085 147 S HN -0.417 7.848 8.310 -0.012 0.038 0.466 148 G N 1.360 110.152 108.800 -0.012 0.000 2.423 148 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.684 148 G HA3 -0.197 3.754 3.960 -0.016 0.000 0.684 148 G C -2.597 172.271 174.900 -0.054 0.000 1.309 148 G CA -0.829 44.261 45.100 -0.017 0.000 0.950 148 G HN -0.272 8.014 8.290 -0.007 0.000 0.587 149 T N -3.530 110.990 114.554 -0.057 0.000 2.779 149 T HA 0.108 4.432 4.350 -0.290 -0.149 0.280 149 T C -1.304 173.275 174.700 -0.202 0.000 0.987 149 T CA -1.389 60.607 62.100 -0.172 0.000 0.966 149 T CB 1.560 70.429 68.868 0.001 0.000 0.933 149 T HN -0.158 8.071 8.240 -0.017 0.000 0.442 150 S N 4.586 120.065 115.700 -0.367 0.000 2.775 150 S HA 0.229 4.663 4.470 -0.060 0.000 0.277 150 S C -2.072 172.349 174.600 -0.299 0.000 1.156 150 S CA -0.566 57.523 58.200 -0.185 0.000 1.081 150 S CB 1.071 64.212 63.200 -0.098 0.000 1.054 150 S HN 0.516 8.875 8.310 -0.534 -0.370 0.482 151 Y N 5.608 125.946 120.300 0.063 0.000 2.342 151 Y HA 0.198 4.800 4.550 0.087 0.000 0.334 151 Y C -0.956 174.989 175.900 0.075 0.000 1.067 151 Y CA -2.661 55.488 58.100 0.081 0.000 1.128 151 Y CB 1.022 39.541 38.460 0.098 0.000 1.200 151 Y HN 0.075 8.476 8.280 0.202 0.000 0.464 152 P HA 0.405 4.902 4.420 0.129 0.000 0.280 152 P C -1.622 175.806 177.300 0.214 0.000 1.272 152 P CA -0.931 62.270 63.100 0.169 0.000 0.819 152 P CB 2.117 33.886 31.700 0.115 0.000 1.122 153 D N -2.419 118.085 120.400 0.173 0.000 2.323 153 D HA -0.072 4.644 4.640 0.128 0.000 0.218 153 D C -1.241 175.220 176.300 0.268 0.000 0.973 153 D CA 1.324 55.421 54.000 0.161 0.000 0.890 153 D CB 0.768 41.629 40.800 0.101 0.000 1.011 153 D HN 0.411 8.862 8.370 0.134 0.000 0.499 154 V N -7.620 112.432 119.914 0.230 0.000 2.966 154 V HA 0.603 5.117 4.120 0.386 -0.162 0.317 154 V C -0.727 175.390 176.094 0.038 0.000 1.070 154 V CA -2.750 59.686 62.300 0.227 0.000 1.008 154 V CB 2.026 33.908 31.823 0.098 0.000 1.070 154 V HN -0.913 7.370 8.190 0.155 0.000 0.457 155 L N 1.649 122.757 121.223 -0.192 0.000 2.455 155 L HA -0.029 3.526 4.340 -1.309 0.000 0.272 155 L C -0.274 176.331 176.870 -0.442 0.000 1.174 155 L CA 0.741 55.135 54.840 -0.743 0.000 0.869 155 L CB 0.825 42.400 42.059 -0.807 0.000 1.130 155 L HN -0.067 8.340 8.230 0.017 -0.166 0.474 156 K N 5.417 125.535 120.400 -0.469 0.000 2.156 156 K HA 0.689 4.973 4.320 -0.336 -0.165 0.254 156 K C -1.189 175.152 176.600 -0.432 0.000 0.950 156 K CA -2.571 53.500 56.287 -0.360 0.000 0.849 156 K CB 2.305 34.660 32.500 -0.241 0.000 1.100 156 K HN -0.233 7.661 8.250 -0.593 0.000 0.434 157 c N -0.512 117.727 118.600 -0.601 0.000 2.707 157 c HA 1.025 5.555 4.570 -0.400 -0.200 0.313 157 c C -1.696 172.019 174.090 -0.625 0.000 1.209 157 c CA -0.826 55.101 56.329 -0.671 0.000 1.635 157 c CB 3.567 45.535 42.510 -0.903 0.000 2.206 157 c HN 0.761 8.559 8.230 -0.720 0.000 0.485 158 L N 0.306 121.384 121.223 -0.242 0.000 2.526 158 L HA 0.372 4.764 4.340 0.086 0.000 0.263 158 L C -2.491 174.449 176.870 0.115 0.000 0.943 158 L CA 0.186 55.031 54.840 0.009 0.000 0.859 158 L CB 4.460 46.546 42.059 0.044 0.000 1.313 158 L HN 0.793 8.917 8.230 -0.177 0.000 0.406 159 K N 5.874 126.406 120.400 0.219 0.000 2.211 159 K HA 0.809 5.414 4.320 0.128 -0.208 0.275 159 K C -0.924 175.802 176.600 0.209 0.000 1.024 159 K CA -1.376 55.021 56.287 0.183 0.000 0.887 159 K CB 0.969 33.585 32.500 0.193 0.000 1.084 159 K HN 0.340 8.757 8.250 0.278 0.000 0.463 160 A N 4.223 127.097 122.820 0.090 0.000 2.520 160 A HA 0.643 4.934 4.320 -0.047 0.000 0.298 160 A C -3.370 174.139 177.584 -0.125 0.000 1.051 160 A CA -2.663 49.354 52.037 -0.033 0.000 0.690 160 A CB 3.115 22.107 19.000 -0.012 0.000 1.281 160 A HN 0.913 9.089 8.150 0.042 0.000 0.402 161 P HA 0.726 5.294 4.420 -0.114 -0.216 0.282 161 P C -1.016 176.204 177.300 -0.133 0.000 1.259 161 P CA -1.324 61.681 63.100 -0.159 0.000 0.826 161 P CB 1.445 33.051 31.700 -0.156 0.000 1.064 162 I N 0.229 120.731 120.570 -0.113 0.000 2.441 162 I HA -0.018 4.280 4.170 0.017 -0.118 0.287 162 I C -0.001 176.089 176.117 -0.045 0.000 1.049 162 I CA 0.262 61.514 61.300 -0.080 0.000 1.381 162 I CB 0.373 38.235 38.000 -0.231 0.000 1.409 162 I HN 0.177 8.313 8.210 -0.124 0.000 0.523 163 L N 6.467 127.702 121.223 0.020 0.000 2.454 163 L HA 0.220 4.547 4.340 -0.022 0.000 0.256 163 L C -0.192 176.692 176.870 0.022 0.000 1.136 163 L CA -0.851 53.995 54.840 0.010 0.000 0.804 163 L CB 0.631 42.708 42.059 0.031 0.000 1.181 163 L HN 0.301 8.473 8.230 0.096 0.115 0.469 164 S N -1.366 114.342 115.700 0.013 0.000 2.603 164 S HA -0.006 4.468 4.470 0.007 0.000 0.268 164 S C 0.373 174.997 174.600 0.039 0.000 1.317 164 S CA -0.567 57.643 58.200 0.016 0.000 1.012 164 S CB 1.350 64.555 63.200 0.007 0.000 0.926 164 S HN -0.040 8.274 8.310 0.006 0.000 0.539 165 D N 1.621 122.045 120.400 0.040 0.000 2.178 165 D HA -0.221 4.467 4.640 0.080 0.000 0.201 165 D C 1.472 177.803 176.300 0.052 0.000 0.980 165 D CA 3.586 57.621 54.000 0.058 0.000 0.842 165 D CB -0.422 40.408 40.800 0.051 0.000 0.948 165 D HN 0.595 8.982 8.370 0.028 0.000 0.472 166 S N -1.564 114.157 115.700 0.035 0.000 2.383 166 S HA -0.254 4.236 4.470 0.034 0.000 0.227 166 S C 2.030 176.646 174.600 0.026 0.000 1.026 166 S CA 3.186 61.403 58.200 0.029 0.000 0.981 166 S CB -0.739 62.472 63.200 0.018 0.000 0.818 166 S HN 0.019 8.332 8.310 0.028 0.014 0.472 167 S N 3.871 119.585 115.700 0.023 0.000 2.387 167 S HA -0.215 4.257 4.470 0.003 0.000 0.226 167 S C 1.764 176.377 174.600 0.021 0.000 1.026 167 S CA 4.177 62.385 58.200 0.013 0.000 0.972 167 S CB -0.101 63.104 63.200 0.009 0.000 0.814 167 S HN -0.496 7.746 8.310 0.024 0.082 0.477 168 c N 3.459 122.092 118.600 0.055 0.000 2.413 168 c HA -0.334 4.296 4.570 0.100 0.000 0.277 168 c C 1.803 175.965 174.090 0.119 0.000 1.228 168 c CA 2.890 59.280 56.329 0.102 0.000 1.731 168 c CB -1.667 40.921 42.510 0.131 0.000 2.042 168 c HN -0.020 8.244 8.230 0.057 0.000 0.468 169 K N -1.331 119.129 120.400 0.100 0.000 2.209 169 K HA -0.334 4.076 4.320 0.150 0.000 0.204 169 K C 2.383 179.021 176.600 0.063 0.000 1.048 169 K CA 2.896 59.244 56.287 0.101 0.000 0.940 169 K CB -0.319 32.228 32.500 0.078 0.000 0.729 169 K HN 0.040 8.341 8.250 0.085 0.000 0.451 170 S N -1.361 114.353 115.700 0.024 0.000 2.406 170 S HA -0.190 4.283 4.470 0.006 0.000 0.228 170 S C 1.309 175.876 174.600 -0.055 0.000 1.020 170 S CA 2.514 60.710 58.200 -0.006 0.000 0.965 170 S CB 0.036 63.228 63.200 -0.012 0.000 0.798 170 S HN -0.558 7.739 8.310 0.026 0.029 0.488 171 A N -0.240 122.511 122.820 -0.114 0.000 1.970 171 A HA -0.072 4.084 4.320 -0.273 0.000 0.216 171 A C -0.365 176.926 177.584 -0.488 0.000 1.170 171 A CA 1.895 53.728 52.037 -0.341 0.000 0.645 171 A CB 1.023 19.734 19.000 -0.482 0.000 0.816 171 A HN -0.646 7.351 8.150 -0.067 0.113 0.447 172 Y N -5.718 114.624 120.300 0.070 0.000 2.495 172 Y HA 0.486 5.115 4.550 0.131 0.000 0.362 172 Y C -2.422 173.542 175.900 0.107 0.000 0.956 172 Y CA -3.904 54.272 58.100 0.127 0.000 1.127 172 Y CB -0.201 38.387 38.460 0.213 0.000 1.173 172 Y HN -0.534 7.762 8.280 0.027 0.000 0.639 173 P HA -0.069 4.544 4.420 0.108 -0.128 0.264 173 P C 0.867 178.238 177.300 0.117 0.000 1.193 173 P CA 1.092 64.260 63.100 0.112 0.000 0.763 173 P CB 0.085 31.823 31.700 0.064 0.000 0.810 174 G N 4.333 113.193 108.800 0.100 0.000 2.184 174 G HA2 -0.366 3.630 3.960 0.060 0.000 0.264 174 G HA3 -0.366 3.628 3.960 0.057 0.000 0.264 174 G C 0.168 175.118 174.900 0.083 0.000 0.975 174 G CA 0.533 45.678 45.100 0.075 0.000 0.642 174 G HN 0.516 8.865 8.290 0.097 0.000 0.536 175 Q N -1.909 117.979 119.800 0.146 0.000 2.217 175 Q HA 0.092 4.459 4.340 0.044 0.000 0.217 175 Q C -0.647 175.485 176.000 0.220 0.000 0.844 175 Q CA -0.459 55.428 55.803 0.140 0.000 0.957 175 Q CB 1.387 30.223 28.738 0.164 0.000 1.127 175 Q HN -0.274 8.038 8.270 0.196 0.075 0.503 176 I N 0.334 121.032 120.570 0.213 0.000 2.321 176 I HA 0.069 4.390 4.170 0.253 0.000 0.291 176 I C -0.460 175.736 176.117 0.132 0.000 0.998 176 I CA -2.271 59.149 61.300 0.201 0.000 1.227 176 I CB -0.788 37.327 38.000 0.191 0.000 1.368 176 I HN -0.474 7.848 8.210 0.187 0.000 0.466 177 T N 2.471 117.099 114.554 0.124 0.000 2.910 177 T HA 0.376 4.767 4.350 0.068 0.000 0.279 177 T C 0.771 175.522 174.700 0.085 0.000 0.989 177 T CA -2.147 60.004 62.100 0.084 0.000 0.968 177 T CB 2.272 71.181 68.868 0.067 0.000 1.135 177 T HN -0.396 7.934 8.240 0.151 0.000 0.562 178 S N -2.121 113.614 115.700 0.059 0.000 2.603 178 S HA -0.164 4.346 4.470 0.067 0.000 0.229 178 S C -0.145 174.494 174.600 0.065 0.000 0.972 178 S CA 1.507 59.739 58.200 0.054 0.000 0.935 178 S CB -0.286 62.927 63.200 0.021 0.000 0.769 178 S HN 0.258 8.593 8.310 0.043 0.000 0.536 179 N N 0.227 118.981 118.700 0.090 0.000 2.238 179 N HA 0.172 4.979 4.740 0.111 0.000 0.222 179 N C -1.911 173.713 175.510 0.191 0.000 1.133 179 N CA -0.454 52.681 53.050 0.142 0.000 0.854 179 N CB 1.116 39.713 38.487 0.183 0.000 1.041 179 N HN -0.467 7.875 8.380 0.091 0.093 0.510 180 M N -1.015 118.681 119.600 0.160 0.000 2.619 180 M HA 0.906 5.648 4.480 0.064 -0.224 0.297 180 M C -2.350 174.054 176.300 0.174 0.000 1.229 180 M CA -0.423 54.944 55.300 0.111 0.000 0.860 180 M CB 5.141 37.794 32.600 0.089 0.000 1.741 180 M HN -0.721 7.565 8.290 0.144 0.091 0.462 181 F N -6.477 113.521 119.950 0.079 0.000 2.686 181 F HA 0.599 5.160 4.527 0.058 0.000 0.311 181 F C -2.861 172.994 175.800 0.092 0.000 1.128 181 F CA -1.635 56.409 58.000 0.073 0.000 0.946 181 F CB 2.286 41.325 39.000 0.066 0.000 1.336 181 F HN -0.108 8.040 8.300 -0.254 0.000 0.457 182 c N -0.368 118.435 118.600 0.339 0.000 2.454 182 c HA 1.000 5.836 4.570 0.117 -0.196 0.336 182 c C -1.107 173.214 174.090 0.384 0.000 1.189 182 c CA -1.023 55.448 56.329 0.237 0.000 1.877 182 c CB 3.111 45.711 42.510 0.150 0.000 2.348 182 c HN 0.888 9.344 8.230 0.376 0.000 0.508 183 A N 2.853 125.876 122.820 0.339 0.000 2.476 183 A HA 0.678 5.215 4.320 0.098 -0.159 0.280 183 A C -2.301 175.347 177.584 0.106 0.000 1.081 183 A CA -0.322 51.823 52.037 0.181 0.000 0.753 183 A CB 2.677 21.726 19.000 0.082 0.000 1.248 183 A HN 0.392 8.762 8.150 0.367 0.000 0.424 184 Y N 2.737 123.072 120.300 0.060 0.000 2.383 184 Y HA 0.121 4.693 4.550 0.036 0.000 0.344 184 Y C 0.908 176.825 175.900 0.029 0.000 0.986 184 Y CA -0.392 57.732 58.100 0.040 0.000 1.175 184 Y CB 0.698 39.180 38.460 0.035 0.000 1.152 184 Y HN 0.154 8.570 8.280 0.226 0.000 0.511 185 L N 3.681 124.981 121.223 0.127 0.000 2.362 185 L HA -0.290 4.082 4.340 0.054 0.000 0.219 185 L C 0.921 177.837 176.870 0.077 0.000 1.134 185 L CA 2.055 56.938 54.840 0.072 0.000 0.807 185 L CB -0.410 41.670 42.059 0.036 0.000 0.927 185 L HN 0.537 8.826 8.230 0.099 0.000 0.447 186 E N -2.252 118.013 120.200 0.109 0.000 2.502 186 E HA -0.065 4.313 4.350 0.046 0.000 0.194 186 E C 0.684 177.318 176.600 0.056 0.000 1.062 186 E CA -0.110 56.330 56.400 0.067 0.000 0.867 186 E CB -0.542 29.191 29.700 0.056 0.000 0.888 186 E HN 0.036 8.449 8.360 0.165 0.047 0.510 187 G N 0.883 109.732 108.800 0.082 0.000 3.405 187 G HA2 -0.387 3.776 3.960 0.077 0.000 0.676 187 G HA3 -0.387 3.597 3.960 0.041 0.000 0.676 187 G C -0.861 174.059 174.900 0.034 0.000 1.039 187 G CA -0.096 45.041 45.100 0.061 0.000 0.855 187 G HN -0.495 7.701 8.290 0.125 0.169 0.443 188 K N 1.115 121.519 120.400 0.008 0.000 7.219 188 K HA -0.602 4.002 4.320 0.026 -0.269 0.683 188 K C -1.315 175.390 176.600 0.176 0.000 2.548 188 K CA 0.391 56.704 56.287 0.045 0.000 1.868 188 K CB -0.117 32.329 32.500 -0.089 0.000 1.932 188 K HN 0.123 8.402 8.250 0.048 0.000 0.297 189 D N 0.436 120.920 120.400 0.141 0.000 2.769 189 D HA 0.308 5.073 4.640 0.209 0.000 0.309 189 D C -1.879 174.493 176.300 0.121 0.000 1.315 189 D CA -0.616 53.479 54.000 0.157 0.000 0.780 189 D CB 4.198 45.070 40.800 0.120 0.000 1.312 189 D HN -0.027 8.401 8.370 0.096 0.000 0.437 190 S N -1.826 113.955 115.700 0.135 0.000 2.738 190 S HA 0.385 4.966 4.470 0.093 -0.055 0.284 190 S C -1.393 173.255 174.600 0.081 0.000 1.146 190 S CA -0.695 57.574 58.200 0.116 0.000 0.997 190 S CB 1.916 65.221 63.200 0.176 0.000 1.081 190 S HN 0.278 8.682 8.310 0.156 0.000 0.553 191 c N -1.894 116.759 118.600 0.088 0.000 3.276 191 c HA 0.283 4.897 4.570 0.073 0.000 0.370 191 c C -1.527 172.644 174.090 0.136 0.000 1.624 191 c CA -0.618 55.763 56.329 0.087 0.000 1.179 191 c CB 2.800 45.346 42.510 0.060 0.000 1.909 191 c HN 0.321 8.902 8.230 0.104 -0.288 0.434 192 Q N 1.678 121.570 119.800 0.154 0.000 2.304 192 Q HA -0.370 4.096 4.340 0.209 0.000 0.301 192 Q C 1.089 177.279 176.000 0.317 0.000 1.063 192 Q CA 2.184 58.121 55.803 0.224 0.000 0.947 192 Q CB 0.604 29.481 28.738 0.231 0.000 1.201 192 Q HN 0.466 8.809 8.270 0.121 0.000 0.389 193 G N 6.202 115.191 108.800 0.316 0.000 2.258 193 G HA2 -0.453 3.842 3.960 0.310 0.000 0.233 193 G HA3 -0.453 3.813 3.960 0.510 0.000 0.233 193 G C 0.565 175.701 174.900 0.393 0.000 1.006 193 G CA 1.117 46.452 45.100 0.392 0.000 0.620 193 G HN 0.415 8.869 8.290 0.273 0.000 0.511 194 D N 2.392 122.958 120.400 0.278 0.000 2.271 194 D HA 0.085 4.870 4.640 0.241 0.000 0.206 194 D C 0.254 176.660 176.300 0.178 0.000 0.967 194 D CA 1.126 55.255 54.000 0.215 0.000 0.867 194 D CB 0.648 41.540 40.800 0.154 0.000 0.960 194 D HN -0.040 8.370 8.370 0.251 0.110 0.509 195 S N -0.852 114.954 115.700 0.176 0.000 2.599 195 S HA -0.602 4.090 4.470 0.145 -0.135 0.303 195 S C 1.054 175.683 174.600 0.047 0.000 1.267 195 S CA 2.106 60.393 58.200 0.145 0.000 1.055 195 S CB -0.111 63.248 63.200 0.265 0.000 0.790 195 S HN -0.581 7.852 8.310 0.204 0.000 0.500 196 G N 4.667 113.470 108.800 0.005 0.000 2.284 196 G HA2 -0.454 3.554 3.960 -0.052 0.000 0.247 196 G HA3 -0.454 3.579 3.960 -0.062 -0.110 0.247 196 G C -0.072 174.858 174.900 0.049 0.000 1.012 196 G CA 0.212 45.298 45.100 -0.024 0.000 0.618 196 G HN 0.906 9.106 8.290 0.027 0.106 0.521 197 G N 0.963 109.819 108.800 0.095 0.000 2.563 197 G HA2 0.414 4.517 3.960 0.123 0.000 0.283 197 G HA3 0.414 4.451 3.960 0.128 0.000 0.283 197 G C -2.797 172.186 174.900 0.139 0.000 1.309 197 G CA -1.907 43.267 45.100 0.124 0.000 1.022 197 G HN -0.145 8.025 8.290 0.105 0.182 0.501 198 P HA 0.417 5.037 4.420 0.132 -0.121 0.284 198 P C -1.654 175.714 177.300 0.113 0.000 1.258 198 P CA -1.183 62.009 63.100 0.154 0.000 0.824 198 P CB 1.804 33.649 31.700 0.242 0.000 1.038 199 V N 2.160 122.118 119.914 0.074 0.000 2.380 199 V HA 0.184 4.423 4.120 -0.021 -0.131 0.286 199 V C -1.440 174.661 176.094 0.012 0.000 1.015 199 V CA -0.338 61.964 62.300 0.003 0.000 0.834 199 V CB 1.831 33.632 31.823 -0.037 0.000 1.009 199 V HN -0.151 8.089 8.190 0.083 0.000 0.428 200 V N 8.317 128.231 119.914 0.000 0.000 2.417 200 V HA 0.656 4.923 4.120 -0.073 -0.190 0.291 200 V C -1.415 174.656 176.094 -0.038 0.000 1.024 200 V CA -1.265 61.006 62.300 -0.048 0.000 0.861 200 V CB 3.086 34.859 31.823 -0.083 0.000 0.985 200 V HN 0.631 8.834 8.190 0.023 0.000 0.436 201 c N 7.450 126.014 118.600 -0.060 0.000 2.441 201 c HA 0.584 5.129 4.570 -0.043 0.000 0.318 201 c C 0.183 174.240 174.090 -0.055 0.000 1.222 201 c CA -1.427 54.866 56.329 -0.060 0.000 1.474 201 c CB 2.385 44.837 42.510 -0.095 0.000 2.125 201 c HN 0.865 9.053 8.230 -0.070 0.000 0.479 202 S N 5.169 120.846 115.700 -0.038 0.000 3.549 202 S HA -0.354 4.104 4.470 -0.020 0.000 0.366 202 S C 0.347 174.926 174.600 -0.035 0.000 1.012 202 S CA 1.045 59.226 58.200 -0.032 0.000 1.141 202 S CB -1.350 61.828 63.200 -0.038 0.000 0.910 202 S HN 1.128 9.420 8.310 -0.030 0.000 0.471 203 G N -4.850 103.928 108.800 -0.037 0.000 2.168 203 G HA2 -0.352 3.574 3.960 -0.057 0.000 0.257 203 G HA3 -0.352 3.588 3.960 -0.035 0.000 0.257 203 G C -0.772 174.076 174.900 -0.087 0.000 0.997 203 G CA 0.523 45.591 45.100 -0.054 0.000 0.708 203 G HN 0.304 8.564 8.290 -0.029 0.013 0.520 210 Q N 1.197 121.015 119.800 0.030 0.000 2.378 210 Q HA 0.214 4.593 4.340 0.065 0.000 0.229 210 Q C -0.261 175.901 176.000 0.270 0.000 0.882 210 Q CA 0.099 55.945 55.803 0.071 0.000 0.936 210 Q CB 2.802 31.501 28.738 -0.065 0.000 1.092 210 Q HN 0.415 8.692 8.270 0.012 0.000 0.535 211 G N -3.068 105.904 108.800 0.288 0.000 2.694 211 G HA2 0.601 5.040 3.960 0.393 0.000 0.290 211 G HA3 0.601 4.830 3.960 0.449 0.000 0.290 211 G C -3.265 171.751 174.900 0.193 0.000 1.386 211 G CA -0.637 44.677 45.100 0.356 0.000 0.872 211 G HN -0.365 8.028 8.290 0.172 0.000 0.475 212 I N -1.419 119.255 120.570 0.173 0.000 2.498 212 I HA 0.536 4.992 4.170 0.150 -0.197 0.290 212 I C -0.468 175.773 176.117 0.207 0.000 1.032 212 I CA -1.406 59.983 61.300 0.148 0.000 1.073 212 I CB 4.384 42.425 38.000 0.069 0.000 1.251 212 I HN -0.328 8.050 8.210 0.142 -0.083 0.426 213 V N 7.334 127.388 119.914 0.232 0.000 2.493 213 V HA -0.193 4.011 4.120 0.140 0.000 0.292 213 V C -1.161 174.953 176.094 0.033 0.000 1.016 213 V CA 2.092 64.488 62.300 0.160 0.000 1.097 213 V CB -1.009 30.928 31.823 0.189 0.000 0.947 213 V HN 0.507 8.816 8.190 0.198 0.000 0.479 214 S N 7.259 122.888 115.700 -0.118 0.000 3.142 214 S HA 0.413 5.067 4.470 0.306 0.000 0.223 214 S C -1.419 173.304 174.600 0.205 0.000 0.939 214 S CA 1.134 59.411 58.200 0.128 0.000 0.826 214 S CB 2.429 65.692 63.200 0.105 0.000 0.823 214 S HN -0.186 7.852 8.310 -0.453 0.000 0.612 215 W N -4.364 116.802 121.300 -0.223 0.000 2.962 215 W HA 0.267 4.834 4.660 -0.155 0.000 0.405 215 W C -2.505 173.853 176.519 -0.269 0.000 1.121 215 W CA -0.786 56.429 57.345 -0.217 0.000 1.164 215 W CB 1.155 30.480 29.460 -0.224 0.000 1.489 215 W HN -0.282 7.579 8.180 -0.531 0.000 0.599 216 G N -3.350 105.499 108.800 0.082 0.000 2.356 216 G HA2 0.067 3.759 3.960 -0.447 0.000 0.294 216 G HA3 0.067 3.962 3.960 -0.108 0.000 0.294 216 G C -2.032 172.989 174.900 0.202 0.000 1.423 216 G CA 0.176 45.226 45.100 -0.083 0.000 0.806 216 G HN -0.050 8.481 8.290 0.401 0.000 0.527 220 c N 1.940 120.575 118.600 0.059 0.000 3.495 220 c HA 0.333 5.090 4.570 0.060 -0.151 0.201 220 c C -1.465 172.656 174.090 0.051 0.000 1.408 220 c CA -0.787 55.575 56.329 0.055 0.000 1.367 220 c CB -1.287 41.249 42.510 0.044 0.000 1.845 220 c HN 0.345 8.606 8.230 0.051 0.000 0.500 221 Q N -1.397 118.438 119.800 0.058 0.000 2.903 221 Q HA 0.151 4.513 4.340 0.037 0.000 0.277 221 Q C -1.410 174.615 176.000 0.042 0.000 0.933 221 Q CA -0.659 55.171 55.803 0.045 0.000 0.822 221 Q CB 2.863 31.630 28.738 0.048 0.000 1.693 221 Q HN 0.052 8.362 8.270 0.067 0.000 0.447 222 K N 3.378 123.795 120.400 0.029 0.000 2.436 222 K HA -0.270 4.257 4.320 0.035 -0.186 0.275 222 K C 0.217 176.819 176.600 0.003 0.000 0.999 222 K CA 0.701 57.002 56.287 0.023 0.000 0.980 222 K CB -0.004 32.506 32.500 0.016 0.000 0.919 222 K HN 0.233 8.498 8.250 0.025 0.000 0.484 223 N N 1.664 120.362 118.700 -0.004 0.000 2.765 223 N HA -0.477 4.239 4.740 -0.041 0.000 0.248 223 N C -1.568 173.874 175.510 -0.114 0.000 1.063 223 N CA 1.979 54.999 53.050 -0.049 0.000 0.862 223 N CB -0.312 38.141 38.487 -0.057 0.000 1.145 223 N HN 0.740 9.003 8.380 0.015 0.126 0.581 224 K N -1.769 118.594 120.400 -0.063 0.000 2.606 224 K HA 0.530 4.662 4.320 -0.314 0.000 0.196 224 K C -2.274 174.376 176.600 0.084 0.000 1.048 224 K CA -3.383 52.867 56.287 -0.061 0.000 1.017 224 K CB -0.207 32.320 32.500 0.044 0.000 1.413 224 K HN -0.783 7.382 8.250 -0.007 0.081 0.568 225 P HA -0.049 4.433 4.420 0.103 0.000 0.274 225 P C -0.493 176.856 177.300 0.082 0.000 1.260 225 P CA -0.426 62.740 63.100 0.109 0.000 0.793 225 P CB 1.110 32.864 31.700 0.090 0.000 1.048 226 G N -2.427 106.385 108.800 0.019 0.000 2.467 226 G HA2 0.273 4.019 3.960 -0.357 0.000 0.257 226 G HA3 0.273 4.106 3.960 -0.212 0.000 0.257 226 G C -1.802 172.781 174.900 -0.529 0.000 1.227 226 G CA -0.613 44.322 45.100 -0.275 0.000 0.835 226 G HN -0.363 7.997 8.290 0.116 0.000 0.556 227 V N 2.604 121.873 119.914 -1.074 0.000 2.495 227 V HA 0.650 4.544 4.120 -0.661 -0.171 0.298 227 V C -1.075 174.268 176.094 -1.251 0.000 1.031 227 V CA -0.994 60.641 62.300 -1.108 0.000 0.871 227 V CB 2.353 33.062 31.823 -1.857 0.000 0.988 227 V HN 0.206 7.706 8.190 -1.151 0.000 0.432 228 Y N 5.157 125.042 120.300 -0.691 0.000 2.524 228 Y HA 0.616 5.064 4.550 -0.394 -0.135 0.344 228 Y C 0.030 175.620 175.900 -0.517 0.000 1.012 228 Y CA -2.255 55.443 58.100 -0.670 0.000 1.068 228 Y CB 3.835 41.631 38.460 -1.107 0.000 1.249 228 Y HN 0.985 8.878 8.280 -0.646 0.000 0.468 229 T N 4.164 118.662 114.554 -0.094 0.000 2.851 229 T HA 0.071 4.615 4.350 0.067 -0.154 0.298 229 T C -0.655 174.144 174.700 0.166 0.000 0.977 229 T CA 1.235 63.361 62.100 0.043 0.000 1.126 229 T CB 0.602 69.482 68.868 0.019 0.000 0.916 229 T HN 0.545 8.665 8.240 -0.027 0.104 0.529 230 K N 8.598 129.185 120.400 0.311 0.000 2.127 230 K HA 0.110 4.823 4.320 0.654 0.000 0.261 230 K C 0.788 177.638 176.600 0.415 0.000 1.129 230 K CA -0.758 55.799 56.287 0.450 0.000 0.993 230 K CB -0.438 32.285 32.500 0.371 0.000 1.410 230 K HN 0.385 8.701 8.250 0.289 0.107 0.380 231 V N 5.628 125.768 119.914 0.377 0.000 2.380 231 V HA -0.549 3.850 4.120 0.465 0.000 0.251 231 V C 1.470 177.728 176.094 0.273 0.000 1.063 231 V CA 3.816 66.322 62.300 0.344 0.000 1.055 231 V CB -0.258 31.699 31.823 0.223 0.000 0.657 231 V HN 0.162 8.583 8.190 0.385 0.000 0.455 232 c N -3.719 114.982 118.600 0.168 0.000 2.409 232 c HA -0.216 4.401 4.570 0.079 0.000 0.284 232 c C 1.438 175.551 174.090 0.038 0.000 1.354 232 c CA 1.634 58.012 56.329 0.083 0.000 1.787 232 c CB -2.094 40.437 42.510 0.035 0.000 1.900 232 c HN 0.464 8.780 8.230 0.171 0.017 0.520 233 N N -0.243 118.450 118.700 -0.012 0.000 2.412 233 N HA -0.035 4.612 4.740 -0.154 0.000 0.184 233 N C -0.135 175.134 175.510 -0.400 0.000 1.101 233 N CA 0.946 53.847 53.050 -0.248 0.000 0.881 233 N CB -0.000 38.212 38.487 -0.459 0.000 0.969 233 N HN -0.270 8.107 8.380 0.080 0.051 0.459 234 Y N -3.941 116.421 120.300 0.104 0.000 2.481 234 Y HA 0.089 4.762 4.550 0.205 0.000 0.247 234 Y C 0.605 176.637 175.900 0.221 0.000 1.151 234 Y CA 0.341 58.555 58.100 0.189 0.000 1.238 234 Y CB -0.052 38.529 38.460 0.202 0.000 1.179 234 Y HN -0.186 8.005 8.280 0.177 0.195 0.524 235 V N 1.397 121.445 119.914 0.224 0.000 2.287 235 V HA -0.596 3.619 4.120 0.158 0.000 0.248 235 V C 1.376 177.543 176.094 0.121 0.000 1.053 235 V CA 5.124 67.514 62.300 0.150 0.000 1.027 235 V CB -0.749 31.124 31.823 0.082 0.000 0.646 235 V HN -0.462 7.822 8.190 0.157 0.000 0.447 236 S N -0.050 115.721 115.700 0.117 0.000 2.368 236 S HA -0.338 4.156 4.470 0.040 0.000 0.225 236 S C 1.641 176.315 174.600 0.125 0.000 1.030 236 S CA 3.566 61.819 58.200 0.088 0.000 0.999 236 S CB -0.503 62.744 63.200 0.078 0.000 0.844 236 S HN 0.152 8.528 8.310 0.109 0.000 0.459 237 W N 3.999 125.336 121.300 0.062 0.000 2.355 237 W HA -0.160 4.529 4.660 0.047 0.000 0.309 237 W C 1.490 178.025 176.519 0.027 0.000 1.206 237 W CA 3.114 60.508 57.345 0.081 0.000 1.284 237 W CB 0.012 29.603 29.460 0.220 0.000 1.145 237 W HN -0.440 7.958 8.180 0.374 0.007 0.502 238 I N -1.080 119.524 120.570 0.056 0.000 2.163 238 I HA -0.771 3.042 4.170 -0.595 0.000 0.243 238 I C 1.993 177.892 176.117 -0.363 0.000 1.085 238 I CA 4.586 65.734 61.300 -0.252 0.000 1.347 238 I CB -0.253 37.749 38.000 0.002 0.000 1.044 238 I HN 0.402 8.839 8.210 0.379 0.000 0.408 239 K N -1.034 119.250 120.400 -0.194 0.000 2.026 239 K HA -0.417 3.763 4.320 -0.233 0.000 0.208 239 K C 2.766 179.220 176.600 -0.243 0.000 1.048 239 K CA 3.782 59.950 56.287 -0.199 0.000 0.929 239 K CB -0.353 32.089 32.500 -0.097 0.000 0.713 239 K HN -0.072 8.131 8.250 -0.078 0.000 0.439 240 Q N -1.484 118.180 119.800 -0.226 0.000 2.079 240 Q HA -0.275 3.972 4.340 -0.156 0.000 0.200 240 Q C 2.780 178.591 176.000 -0.315 0.000 0.974 240 Q CA 3.144 58.820 55.803 -0.212 0.000 0.840 240 Q CB 0.049 28.709 28.738 -0.130 0.000 0.898 240 Q HN 0.183 8.240 8.270 -0.180 0.106 0.430 241 T N 2.829 117.065 114.554 -0.530 0.000 2.737 241 T HA -0.256 3.841 4.350 -0.421 0.000 0.265 241 T C 2.335 176.710 174.700 -0.540 0.000 1.038 241 T CA 5.003 66.741 62.100 -0.603 0.000 1.144 241 T CB -0.156 68.060 68.868 -1.087 0.000 0.866 241 T HN 0.173 7.924 8.240 -0.637 0.106 0.434 242 I N 1.131 121.284 120.570 -0.695 0.000 2.179 242 I HA -0.476 2.987 4.170 -1.178 0.000 0.242 242 I C 1.731 177.640 176.117 -0.347 0.000 1.088 242 I CA 3.825 64.631 61.300 -0.824 0.000 1.357 242 I CB -0.398 37.046 38.000 -0.928 0.000 1.051 242 I HN 0.061 7.856 8.210 -0.691 0.000 0.409 243 A N -0.287 122.372 122.820 -0.268 0.000 1.978 243 A HA -0.229 4.032 4.320 -0.098 0.000 0.220 243 A C 1.183 178.719 177.584 -0.081 0.000 1.170 243 A CA 3.034 54.990 52.037 -0.134 0.000 0.636 243 A CB -0.304 18.626 19.000 -0.117 0.000 0.810 243 A HN -0.001 7.960 8.150 -0.315 0.000 0.448 244 S N -5.123 110.516 115.700 -0.101 0.000 2.577 244 S HA 0.068 4.523 4.470 -0.025 0.000 0.219 244 S C -0.310 174.292 174.600 0.004 0.000 0.962 244 S CA 0.136 58.309 58.200 -0.045 0.000 0.921 244 S CB 0.610 63.776 63.200 -0.058 0.000 0.789 244 S HN -0.409 7.676 8.310 -0.166 0.125 0.497 245 N N 0.000 118.729 118.700 0.048 0.000 1.763 245 N HA 0.000 4.810 4.740 0.117 0.000 0.220 245 N CA 0.000 53.153 53.050 0.171 0.000 0.885 245 N CB 0.000 38.660 38.487 0.289 0.000 1.341 245 N HN 0.000 8.214 8.380 0.011 0.173 0.667