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 1o3e_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 4.182 4.170 0.021 0.000 0.288 16 I C 0.000 176.108 176.117 -0.015 0.000 1.063 16 I CA 0.000 61.294 61.300 -0.009 0.000 1.566 16 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 17 V N 5.533 125.449 119.914 0.003 0.000 2.435 17 V HA 0.247 4.489 4.120 -0.015 -0.131 0.290 17 V C 0.504 176.598 176.094 -0.001 0.000 1.030 17 V CA -1.583 60.715 62.300 -0.003 0.000 0.881 17 V CB 1.401 33.228 31.823 0.007 0.000 0.983 17 V HN 0.852 9.057 8.190 0.024 0.000 0.445 18 G N 6.863 115.657 108.800 -0.010 0.000 2.160 18 G HA2 -0.391 3.560 3.960 -0.014 0.000 0.251 18 G HA3 -0.391 3.722 3.960 -0.034 -0.173 0.251 18 G C -0.725 174.178 174.900 0.004 0.000 1.008 18 G CA 0.502 45.593 45.100 -0.015 0.000 0.724 18 G HN 0.774 9.056 8.290 -0.012 0.000 0.514 19 G N -1.244 107.558 108.800 0.004 0.000 2.702 19 G HA2 0.538 4.547 3.960 0.081 0.000 0.254 19 G HA3 0.538 4.544 3.960 -0.092 -0.100 0.254 19 G C -1.767 173.175 174.900 0.069 0.000 1.380 19 G CA -1.090 44.014 45.100 0.006 0.000 1.042 19 G HN -0.685 7.566 8.290 -0.013 0.031 0.557 20 Y N -6.171 114.109 120.300 -0.033 0.000 2.634 20 Y HA 0.404 4.937 4.550 -0.028 0.000 0.340 20 Y C -1.741 174.134 175.900 -0.042 0.000 1.058 20 Y CA -2.953 55.127 58.100 -0.032 0.000 1.081 20 Y CB 1.159 39.603 38.460 -0.027 0.000 1.295 20 Y HN 0.425 8.274 8.280 -0.541 0.106 0.487 21 T N 2.857 117.476 114.554 0.108 0.000 2.799 21 T HA 0.053 4.484 4.350 -0.081 -0.130 0.296 21 T C -0.029 174.703 174.700 0.053 0.000 0.947 21 T CA 1.428 63.538 62.100 0.016 0.000 1.141 21 T CB -0.289 68.611 68.868 0.054 0.000 0.891 21 T HN 0.124 8.480 8.240 0.193 0.000 0.533 22 c N 5.755 124.290 118.600 -0.108 0.000 2.413 22 c HA -0.166 4.405 4.570 0.002 0.000 0.276 22 c C 0.364 174.479 174.090 0.042 0.000 1.248 22 c CA 0.911 57.207 56.329 -0.055 0.000 1.742 22 c CB -0.100 42.307 42.510 -0.172 0.000 2.017 22 c HN 0.154 8.268 8.230 -0.194 0.000 0.481 23 G N -2.151 106.657 108.800 0.013 0.000 2.885 23 G HA2 -0.168 3.811 3.960 0.032 0.000 0.685 23 G HA3 -0.168 3.814 3.960 0.037 0.000 0.685 23 G C -1.926 172.978 174.900 0.007 0.000 1.216 23 G CA -0.809 44.306 45.100 0.026 0.000 0.790 23 G HN -0.344 7.937 8.290 -0.014 0.000 0.631 24 A N 3.980 126.810 122.820 0.018 0.000 2.566 24 A HA -0.228 4.262 4.320 0.029 -0.153 0.245 24 A C -0.139 177.450 177.584 0.009 0.000 1.056 24 A CA 1.106 53.156 52.037 0.021 0.000 0.757 24 A CB 0.056 19.073 19.000 0.030 0.000 0.979 24 A HN 0.326 8.491 8.150 0.024 0.000 0.508 25 N N -2.666 116.037 118.700 0.004 0.000 2.714 25 N HA -0.388 4.342 4.740 -0.017 0.000 0.250 25 N C 0.392 175.881 175.510 -0.035 0.000 1.117 25 N CA 1.617 54.660 53.050 -0.012 0.000 0.719 25 N CB -1.004 37.487 38.487 0.006 0.000 1.081 25 N HN 0.533 8.923 8.380 0.017 0.000 0.557 26 T N -3.666 110.859 114.554 -0.047 0.000 3.100 26 T HA 0.011 4.350 4.350 -0.018 0.000 0.253 26 T C -0.076 174.567 174.700 -0.095 0.000 1.118 26 T CA 1.999 64.075 62.100 -0.040 0.000 1.058 26 T CB 0.457 69.318 68.868 -0.011 0.000 0.953 26 T HN -0.515 7.664 8.240 -0.048 0.032 0.515 27 V N 2.235 122.033 119.914 -0.195 0.000 2.320 27 V HA 0.370 4.219 4.120 -0.452 0.000 0.257 27 V C -1.497 174.282 176.094 -0.526 0.000 0.996 27 V CA -3.410 58.618 62.300 -0.453 0.000 0.928 27 V CB 0.588 32.132 31.823 -0.464 0.000 1.169 27 V HN -0.532 7.490 8.190 -0.162 0.071 0.475 28 P HA 0.057 4.508 4.420 -0.101 -0.092 0.230 28 P C 0.012 177.251 177.300 -0.101 0.000 1.158 28 P CA 1.565 64.580 63.100 -0.143 0.000 0.769 28 P CB 0.118 31.812 31.700 -0.011 0.000 0.807 29 Y N -6.088 114.236 120.300 0.039 0.000 2.466 29 Y HA 0.504 5.228 4.550 0.054 -0.142 0.272 29 Y C -0.646 175.288 175.900 0.058 0.000 1.169 29 Y CA -3.258 54.871 58.100 0.048 0.000 1.285 29 Y CB -1.280 37.204 38.460 0.041 0.000 1.078 29 Y HN -0.406 7.197 8.280 -1.037 0.055 0.523 30 Q N 2.757 122.431 119.800 -0.210 0.000 2.304 30 Q HA 0.209 4.743 4.340 0.093 -0.138 0.260 30 Q C -0.340 175.740 176.000 0.132 0.000 0.965 30 Q CA 0.112 55.899 55.803 -0.027 0.000 0.898 30 Q CB 1.107 29.724 28.738 -0.203 0.000 1.196 30 Q HN -0.644 7.159 8.270 -0.497 0.168 0.402 31 V N 1.657 121.685 119.914 0.190 0.000 3.074 31 V HA 0.832 5.184 4.120 0.185 -0.121 0.314 31 V C -2.061 174.179 176.094 0.243 0.000 1.117 31 V CA -2.896 59.512 62.300 0.180 0.000 1.014 31 V CB 3.965 35.845 31.823 0.095 0.000 1.057 31 V HN 0.205 8.504 8.190 0.182 0.000 0.438 32 S N 0.498 116.253 115.700 0.091 0.000 2.473 32 S HA 0.473 5.186 4.470 0.224 -0.109 0.307 32 S C -1.101 173.383 174.600 -0.194 0.000 1.094 32 S CA -2.007 56.194 58.200 0.002 0.000 1.070 32 S CB 1.901 64.891 63.200 -0.349 0.000 1.019 32 S HN 0.123 8.445 8.310 0.020 0.000 0.480 33 L N 6.684 127.660 121.223 -0.411 0.000 2.282 33 L HA 0.508 4.733 4.340 -0.388 -0.118 0.288 33 L C -1.574 174.805 176.870 -0.818 0.000 1.033 33 L CA -0.817 53.634 54.840 -0.648 0.000 0.807 33 L CB 0.965 42.446 42.059 -0.962 0.000 1.209 33 L HN 0.776 8.734 8.230 -0.453 0.000 0.423 38 G N -0.009 108.699 108.800 -0.153 0.000 2.179 38 G HA2 -0.289 3.659 3.960 -0.020 0.000 0.220 38 G HA3 -0.289 3.735 3.960 0.107 0.000 0.220 38 G C -1.519 173.467 174.900 0.143 0.000 0.990 38 G CA 0.378 45.490 45.100 0.020 0.000 0.646 38 G HN 0.263 8.742 8.290 -0.197 -0.307 0.517 39 Y N -7.320 112.959 120.300 -0.035 0.000 2.732 39 Y HA 0.208 4.722 4.550 -0.060 0.000 0.342 39 Y C -2.545 173.354 175.900 -0.002 0.000 1.203 39 Y CA -3.528 54.552 58.100 -0.034 0.000 1.092 39 Y CB 0.727 39.166 38.460 -0.034 0.000 1.345 39 Y HN -1.173 6.898 8.280 -0.385 -0.022 0.458 40 H N 2.517 121.530 119.070 -0.095 0.000 2.690 40 H HA 0.198 4.707 4.556 -0.368 -0.174 0.314 40 H C -0.446 174.860 175.328 -0.036 0.000 1.069 40 H CA -1.017 54.902 56.048 -0.216 0.000 1.436 40 H CB 0.494 30.121 29.762 -0.226 0.000 1.462 40 H HN 0.247 8.630 8.280 0.171 0.000 0.511 41 F N 2.601 122.122 119.950 -0.716 0.000 2.778 41 F HA 0.332 4.765 4.527 -0.158 0.000 0.314 41 F C -1.397 174.150 175.800 -0.423 0.000 1.073 41 F CA -0.647 57.120 58.000 -0.387 0.000 1.218 41 F CB 1.533 40.393 39.000 -0.234 0.000 1.037 41 F HN -0.010 7.563 8.300 -1.213 0.000 0.594 42 c N -1.419 116.524 118.600 -1.095 0.000 3.311 42 c HA 0.388 4.885 4.570 -0.206 -0.051 0.325 42 c C -1.602 172.298 174.090 -0.317 0.000 1.352 42 c CA -0.292 55.734 56.329 -0.505 0.000 1.308 42 c CB 4.043 46.351 42.510 -0.338 0.000 1.619 42 c HN -0.827 6.430 8.230 -1.621 0.000 0.469 43 G N -0.937 107.867 108.800 0.006 0.000 2.613 43 G HA2 0.803 5.068 3.960 0.263 0.000 0.303 43 G HA3 0.803 4.896 3.960 0.221 0.000 0.303 43 G C -2.477 172.454 174.900 0.052 0.000 1.312 43 G CA -1.587 43.608 45.100 0.159 0.000 1.036 43 G HN 0.703 9.003 8.290 0.016 0.000 0.513 44 G N -4.068 104.793 108.800 0.101 0.000 2.506 44 G HA2 0.488 4.783 3.960 0.072 0.000 0.292 44 G HA3 0.488 4.481 3.960 0.055 0.000 0.292 44 G C -2.898 172.085 174.900 0.138 0.000 1.425 44 G CA 0.380 45.530 45.100 0.084 0.000 0.788 44 G HN -0.624 7.758 8.290 0.153 0.000 0.490 45 S N -0.611 115.175 115.700 0.144 0.000 2.521 45 S HA 0.812 5.641 4.470 0.269 -0.198 0.295 45 S C -1.357 173.344 174.600 0.169 0.000 1.098 45 S CA -0.887 57.431 58.200 0.197 0.000 0.999 45 S CB 3.865 67.163 63.200 0.163 0.000 1.034 45 S HN 0.378 8.760 8.310 0.119 0.000 0.483 46 L N 5.886 127.227 121.223 0.196 0.000 2.313 46 L HA 0.181 4.716 4.340 0.146 -0.108 0.282 46 L C -0.749 176.204 176.870 0.139 0.000 1.092 46 L CA -0.217 54.719 54.840 0.160 0.000 0.831 46 L CB 1.065 43.219 42.059 0.158 0.000 1.159 46 L HN 0.541 8.823 8.230 0.264 0.107 0.442 47 I N 0.377 121.025 120.570 0.130 0.000 4.057 47 I HA 0.511 4.876 4.170 0.063 -0.157 0.334 47 I C -0.948 175.225 176.117 0.093 0.000 1.308 47 I CA -0.654 60.700 61.300 0.089 0.000 1.125 47 I CB 0.683 38.724 38.000 0.069 0.000 1.034 47 I HN 0.336 8.641 8.210 0.158 0.000 0.401 48 N N -1.984 116.794 118.700 0.130 0.000 3.339 48 N HA 0.159 4.954 4.740 0.092 0.000 0.275 48 N C -0.758 174.829 175.510 0.128 0.000 1.514 48 N CA -0.569 52.555 53.050 0.123 0.000 0.879 48 N CB 0.630 39.201 38.487 0.141 0.000 1.557 48 N HN -0.911 7.560 8.380 0.152 0.000 0.524 49 S N -3.807 111.957 115.700 0.107 0.000 2.515 49 S HA -0.283 4.230 4.470 0.071 0.000 0.231 49 S C 0.782 175.415 174.600 0.055 0.000 0.987 49 S CA 2.678 60.924 58.200 0.076 0.000 0.936 49 S CB -0.024 63.209 63.200 0.056 0.000 0.766 49 S HN 0.332 8.703 8.310 0.102 0.000 0.528 50 Q N -0.183 119.663 119.800 0.078 0.000 2.164 50 Q HA 0.329 4.615 4.340 -0.089 0.000 0.226 50 Q C -2.156 173.725 176.000 -0.197 0.000 0.813 50 Q CA -0.381 55.377 55.803 -0.076 0.000 0.978 50 Q CB 2.684 31.347 28.738 -0.124 0.000 1.149 50 Q HN 0.114 8.788 8.270 0.169 -0.302 0.489 51 W N -2.095 119.212 121.300 0.011 0.000 2.915 51 W HA 0.722 5.587 4.660 0.008 -0.199 0.337 51 W C -1.444 175.088 176.519 0.023 0.000 1.102 51 W CA -1.116 56.235 57.345 0.010 0.000 1.224 51 W CB 3.730 33.186 29.460 -0.007 0.000 1.416 51 W HN -0.139 8.356 8.180 0.258 -0.161 0.503 52 V N 1.073 121.144 119.914 0.263 0.000 2.769 52 V HA 0.825 5.228 4.120 0.168 -0.183 0.312 52 V C -1.375 174.833 176.094 0.190 0.000 1.061 52 V CA -1.810 60.597 62.300 0.178 0.000 0.931 52 V CB 3.655 35.541 31.823 0.104 0.000 1.010 52 V HN 0.926 9.283 8.190 0.278 0.000 0.433 53 V N 5.377 125.379 119.914 0.146 0.000 2.495 53 V HA 0.771 5.162 4.120 0.154 -0.178 0.298 53 V C -1.293 174.857 176.094 0.094 0.000 1.031 53 V CA -1.264 61.114 62.300 0.131 0.000 0.871 53 V CB 2.327 34.220 31.823 0.116 0.000 0.988 53 V HN 0.503 8.774 8.190 0.134 0.000 0.432 54 S N 4.451 120.194 115.700 0.071 0.000 2.973 54 S HA 0.556 5.242 4.470 0.029 -0.198 0.317 54 S C -2.015 172.573 174.600 -0.021 0.000 1.196 54 S CA -2.572 55.642 58.200 0.023 0.000 0.894 54 S CB 2.461 65.665 63.200 0.006 0.000 1.292 54 S HN 0.659 9.022 8.310 0.089 0.000 0.614 55 A N -0.638 122.127 122.820 -0.092 0.000 2.303 55 A HA 0.417 4.814 4.320 -0.123 -0.152 0.317 55 A C 0.709 178.164 177.584 -0.216 0.000 1.149 55 A CA -1.532 50.401 52.037 -0.172 0.000 0.822 55 A CB 1.558 20.379 19.000 -0.299 0.000 1.131 55 A HN 0.233 8.320 8.150 -0.104 0.000 0.493 56 A N 4.590 127.235 122.820 -0.292 0.000 1.972 56 A HA -0.253 3.916 4.320 -0.251 0.000 0.219 56 A C 1.361 178.706 177.584 -0.398 0.000 1.169 56 A CA 2.903 54.657 52.037 -0.471 0.000 0.635 56 A CB -0.376 17.971 19.000 -1.089 0.000 0.810 56 A HN 0.622 8.617 8.150 -0.270 -0.007 0.446 57 H N -5.504 113.392 119.070 -0.290 0.000 2.563 57 H HA -0.043 4.515 4.556 0.003 0.000 0.272 57 H C 0.019 175.391 175.328 0.073 0.000 1.005 57 H CA 1.184 57.218 56.048 -0.024 0.000 1.171 57 H CB -0.896 28.932 29.762 0.109 0.000 1.351 57 H HN -0.102 8.329 8.280 -0.239 -0.294 0.602 58 c N -0.799 117.739 118.600 -0.103 0.000 2.697 58 c HA 0.006 4.674 4.570 0.163 0.000 0.267 58 c C -0.585 173.600 174.090 0.159 0.000 1.278 58 c CA -0.397 55.973 56.329 0.069 0.000 1.708 58 c CB -1.440 41.070 42.510 0.000 0.000 1.860 58 c HN -0.546 7.373 8.230 -0.202 0.190 0.589 59 Y N 2.257 122.564 120.300 0.011 0.000 2.610 59 Y HA -0.215 4.358 4.550 0.038 0.000 0.332 59 Y C -1.310 174.574 175.900 -0.027 0.000 1.201 59 Y CA 1.569 59.675 58.100 0.009 0.000 1.465 59 Y CB 0.881 39.332 38.460 -0.015 0.000 1.283 59 Y HN -0.497 7.699 8.280 0.169 0.185 0.563 60 K N 6.187 125.870 120.400 -1.196 0.000 2.735 60 K HA 0.191 4.087 4.320 -0.706 0.000 0.295 60 K C -2.325 173.767 176.600 -0.846 0.000 1.052 60 K CA -0.917 54.856 56.287 -0.857 0.000 0.853 60 K CB 2.409 34.568 32.500 -0.569 0.000 1.535 60 K HN -0.154 7.289 8.250 -1.345 0.000 0.383 61 S N -0.632 114.792 115.700 -0.461 0.000 2.690 61 S HA 0.145 4.444 4.470 -0.285 0.000 0.291 61 S C 0.686 175.163 174.600 -0.205 0.000 1.138 61 S CA -0.441 57.597 58.200 -0.270 0.000 1.013 61 S CB 1.425 64.552 63.200 -0.122 0.000 1.053 61 S HN -0.175 7.927 8.310 -0.346 0.000 0.539 62 G N 0.038 108.758 108.800 -0.134 0.000 2.248 62 G HA2 -0.241 3.671 3.960 -0.080 0.000 0.263 62 G HA3 -0.241 3.654 3.960 -0.109 0.000 0.263 62 G C -1.589 173.250 174.900 -0.102 0.000 1.082 62 G CA 0.159 45.196 45.100 -0.106 0.000 0.863 62 G HN 0.301 8.525 8.290 -0.110 0.000 0.495 63 I N -1.070 119.449 120.570 -0.084 0.000 2.353 63 I HA 0.083 4.380 4.170 0.014 -0.119 0.293 63 I C -1.676 174.402 176.117 -0.065 0.000 0.992 63 I CA -0.713 60.566 61.300 -0.034 0.000 1.268 63 I CB 0.806 38.804 38.000 -0.003 0.000 1.387 63 I HN -0.472 7.683 8.210 -0.092 0.000 0.478 64 Q N 7.232 126.975 119.800 -0.094 0.000 3.106 64 Q HA 0.640 5.027 4.340 -0.092 -0.102 0.247 64 Q C -1.685 174.218 176.000 -0.162 0.000 1.033 64 Q CA -2.040 53.687 55.803 -0.127 0.000 0.888 64 Q CB 4.378 33.008 28.738 -0.181 0.000 1.586 64 Q HN 0.544 8.760 8.270 -0.090 0.000 0.482 65 R N -2.498 117.934 120.500 -0.113 0.000 3.008 65 R HA 0.393 4.970 4.340 0.116 -0.168 0.284 65 R C -1.367 174.967 176.300 0.057 0.000 1.187 65 R CA 0.025 56.102 56.100 -0.037 0.000 1.139 65 R CB 2.307 32.442 30.300 -0.276 0.000 1.273 65 R HN 0.663 8.850 8.270 -0.139 0.000 0.410 70 E N -0.346 119.944 120.200 0.150 0.000 2.283 70 E HA 0.109 4.529 4.350 0.118 0.000 0.271 70 E C -1.813 174.959 176.600 0.287 0.000 1.031 70 E CA 0.296 56.798 56.400 0.170 0.000 0.868 70 E CB 1.491 31.227 29.700 0.061 0.000 1.094 70 E HN -0.629 7.797 8.360 0.172 0.037 0.401 71 D N 0.988 121.532 120.400 0.240 0.000 2.957 71 D HA 0.059 4.918 4.640 0.366 0.000 0.175 71 D C -1.049 175.432 176.300 0.303 0.000 1.502 71 D CA 1.049 55.214 54.000 0.275 0.000 1.524 71 D CB 2.468 43.348 40.800 0.133 0.000 1.300 71 D HN 0.109 8.570 8.370 0.150 0.000 0.241 72 N N 0.987 119.776 118.700 0.149 0.000 2.401 72 N HA 0.128 5.068 4.740 0.147 -0.112 0.255 72 N C 2.101 177.600 175.510 -0.018 0.000 1.110 72 N CA -0.371 52.736 53.050 0.094 0.000 0.949 72 N CB 0.453 38.977 38.487 0.060 0.000 1.110 72 N HN -0.473 8.255 8.380 0.112 -0.281 0.490 73 I N 0.833 121.298 120.570 -0.175 0.000 3.444 73 I HA -0.076 4.070 4.170 -0.291 -0.150 0.287 73 I C -0.545 175.477 176.117 -0.159 0.000 1.302 73 I CA 1.231 62.333 61.300 -0.329 0.000 1.368 73 I CB -0.789 36.763 38.000 -0.746 0.000 1.048 73 I HN 0.483 8.594 8.210 -0.165 0.000 0.487 74 N N -2.067 116.587 118.700 -0.076 0.000 2.220 74 N HA 0.122 4.841 4.740 -0.035 0.000 0.195 74 N C -0.818 174.694 175.510 0.004 0.000 1.123 74 N CA 0.023 53.056 53.050 -0.028 0.000 0.874 74 N CB 2.086 40.566 38.487 -0.011 0.000 0.995 74 N HN -0.122 8.483 8.380 -0.056 -0.259 0.498 75 V N 0.058 119.978 119.914 0.010 0.000 2.588 75 V HA 0.035 4.168 4.120 0.021 0.000 0.304 75 V C -1.339 174.771 176.094 0.026 0.000 1.042 75 V CA -1.136 61.176 62.300 0.021 0.000 0.877 75 V CB 3.112 34.947 31.823 0.020 0.000 0.996 75 V HN -0.802 7.442 8.190 0.000 -0.055 0.425 76 V N 7.651 127.576 119.914 0.019 0.000 2.405 76 V HA -0.183 4.162 4.120 0.003 -0.224 0.264 76 V C 0.166 176.251 176.094 -0.015 0.000 1.048 76 V CA 0.681 62.977 62.300 -0.007 0.000 0.966 76 V CB -0.218 31.580 31.823 -0.041 0.000 1.015 76 V HN 0.303 8.503 8.190 0.017 0.000 0.477 77 E N 7.980 128.174 120.200 -0.010 0.000 2.473 77 E HA 0.128 4.475 4.350 -0.005 0.000 0.204 77 E C -0.208 176.382 176.600 -0.017 0.000 0.994 77 E CA -0.424 55.973 56.400 -0.005 0.000 0.945 77 E CB 0.713 30.420 29.700 0.013 0.000 0.990 77 E HN 0.282 9.058 8.360 -0.006 -0.420 0.493 78 G N 0.063 108.842 108.800 -0.034 0.000 2.576 78 G HA2 -0.225 3.695 3.960 -0.068 0.000 0.686 78 G HA3 -0.225 3.716 3.960 -0.032 0.000 0.686 78 G C -1.684 173.196 174.900 -0.034 0.000 1.242 78 G CA -0.719 44.354 45.100 -0.044 0.000 0.819 78 G HN -0.504 7.949 8.290 -0.044 -0.190 0.655 79 N N -3.946 114.728 118.700 -0.042 0.000 2.980 79 N HA -0.267 4.458 4.740 -0.024 0.000 0.213 79 N C -0.924 174.569 175.510 -0.028 0.000 0.892 79 N CA 1.319 54.355 53.050 -0.024 0.000 1.025 79 N CB -0.271 38.217 38.487 0.001 0.000 1.030 79 N HN 0.160 8.507 8.380 -0.055 0.000 0.585 80 E N -0.897 119.264 120.200 -0.065 0.000 2.383 80 E HA 0.108 4.705 4.350 0.025 -0.232 0.264 80 E C -0.165 176.355 176.600 -0.134 0.000 1.050 80 E CA 0.750 57.106 56.400 -0.073 0.000 0.896 80 E CB 0.460 30.050 29.700 -0.184 0.000 0.982 80 E HN -0.186 8.023 8.360 -0.085 0.101 0.424 81 Q N 1.560 121.355 119.800 -0.008 0.000 2.274 81 Q HA 0.271 4.558 4.340 -0.089 0.000 0.268 81 Q C -1.575 174.570 176.000 0.241 0.000 1.015 81 Q CA -1.153 54.657 55.803 0.012 0.000 0.775 81 Q CB 3.107 31.866 28.738 0.034 0.000 1.256 81 Q HN 0.252 8.587 8.270 0.109 0.000 0.442 82 F N 3.551 123.480 119.950 -0.034 0.000 2.402 82 F HA 0.446 5.120 4.527 -0.050 -0.177 0.355 82 F C -0.218 175.557 175.800 -0.041 0.000 1.123 82 F CA -2.897 55.077 58.000 -0.044 0.000 1.021 82 F CB 0.933 39.905 39.000 -0.046 0.000 1.160 82 F HN 0.379 8.726 8.300 0.078 0.000 0.451 83 I N 3.955 124.594 120.570 0.115 0.000 2.582 83 I HA 0.247 4.443 4.170 0.044 0.000 0.292 83 I C -1.399 174.714 176.117 -0.008 0.000 1.066 83 I CA -1.453 59.870 61.300 0.038 0.000 1.053 83 I CB 4.100 42.110 38.000 0.015 0.000 1.241 83 I HN 0.856 9.118 8.210 0.086 0.000 0.421 84 S N 4.930 120.618 115.700 -0.020 0.000 2.601 84 S HA 0.130 4.681 4.470 -0.050 -0.112 0.271 84 S C -0.461 174.103 174.600 -0.060 0.000 1.305 84 S CA 0.524 58.699 58.200 -0.042 0.000 1.022 84 S CB 1.116 64.294 63.200 -0.036 0.000 0.940 84 S HN 0.398 8.702 8.310 -0.011 0.000 0.525 85 A N 3.310 126.092 122.820 -0.064 0.000 2.401 85 A HA 0.181 4.553 4.320 -0.099 -0.111 0.259 85 A C -0.224 177.311 177.584 -0.081 0.000 1.103 85 A CA -0.256 51.734 52.037 -0.078 0.000 0.789 85 A CB 0.536 19.503 19.000 -0.056 0.000 1.035 85 A HN -0.107 8.007 8.150 -0.060 0.000 0.491 86 S N 3.470 119.101 115.700 -0.115 0.000 2.421 86 S HA 0.037 4.465 4.470 -0.071 0.000 0.224 86 S C 0.346 174.905 174.600 -0.068 0.000 1.035 86 S CA 1.415 59.556 58.200 -0.098 0.000 0.953 86 S CB 0.872 63.989 63.200 -0.138 0.000 0.810 86 S HN 0.834 8.924 8.310 -0.164 0.122 0.497 87 K N -0.311 120.042 120.400 -0.078 0.000 2.587 87 K HA 0.261 4.601 4.320 0.035 0.000 0.276 87 K C -2.421 174.204 176.600 0.041 0.000 0.956 87 K CA -0.411 55.876 56.287 0.001 0.000 0.857 87 K CB 3.270 35.778 32.500 0.013 0.000 1.431 87 K HN -0.785 7.384 8.250 -0.136 0.000 0.420 88 S N 1.164 116.947 115.700 0.140 0.000 2.502 88 S HA 0.732 5.477 4.470 0.176 -0.169 0.304 88 S C -0.813 173.916 174.600 0.214 0.000 1.097 88 S CA -0.480 57.847 58.200 0.210 0.000 1.045 88 S CB 2.698 66.095 63.200 0.328 0.000 1.019 88 S HN 0.183 8.592 8.310 0.165 0.000 0.481 89 I N 7.332 128.037 120.570 0.226 0.000 2.405 89 I HA 0.108 4.367 4.170 0.149 0.000 0.280 89 I C -1.503 174.754 176.117 0.232 0.000 1.027 89 I CA -0.848 60.578 61.300 0.210 0.000 1.161 89 I CB 1.242 39.382 38.000 0.234 0.000 1.300 89 I HN 1.045 9.299 8.210 0.255 0.109 0.463 90 V N 7.937 127.916 119.914 0.107 0.000 2.686 90 V HA -0.177 3.981 4.120 0.063 0.000 0.295 90 V C -0.286 175.885 176.094 0.128 0.000 1.055 90 V CA -0.426 61.904 62.300 0.050 0.000 1.050 90 V CB 0.879 32.633 31.823 -0.114 0.000 0.984 90 V HN 0.357 8.563 8.190 0.027 0.000 0.482 91 H N 8.712 127.759 119.070 -0.039 0.000 3.034 91 H HA -0.002 4.405 4.556 -0.249 0.000 0.324 91 H C -0.465 174.833 175.328 -0.049 0.000 1.015 91 H CA 0.230 56.134 56.048 -0.240 0.000 1.429 91 H CB 1.595 31.035 29.762 -0.536 0.000 1.429 91 H HN -0.244 8.071 8.280 0.058 0.000 0.585 92 P HA -0.095 4.329 4.420 0.007 0.000 0.219 92 P C -0.413 176.926 177.300 0.065 0.000 1.146 92 P CA 1.434 64.501 63.100 -0.056 0.000 0.808 92 P CB 0.342 31.989 31.700 -0.089 0.000 0.779 93 S N -3.567 112.264 115.700 0.218 0.000 2.614 93 S HA 0.021 4.548 4.470 0.094 0.000 0.230 93 S C -0.519 174.186 174.600 0.176 0.000 0.952 93 S CA 0.033 58.351 58.200 0.196 0.000 0.949 93 S CB 0.355 63.675 63.200 0.200 0.000 0.786 93 S HN -0.480 8.005 8.310 0.347 0.033 0.478 94 Y N 3.687 124.041 120.300 0.090 0.000 2.610 94 Y HA -0.318 4.391 4.550 -0.032 -0.178 0.332 94 Y C -0.934 174.961 175.900 -0.007 0.000 1.201 94 Y CA 0.820 58.925 58.100 0.009 0.000 1.465 94 Y CB 0.823 39.289 38.460 0.011 0.000 1.283 94 Y HN -0.677 7.619 8.280 0.327 0.180 0.563 95 N N 7.205 125.534 118.700 -0.617 0.000 2.479 95 N HA 0.213 4.669 4.740 -0.474 0.000 0.261 95 N C -0.295 174.699 175.510 -0.860 0.000 0.979 95 N CA -1.235 51.474 53.050 -0.569 0.000 0.930 95 N CB 1.908 40.232 38.487 -0.273 0.000 1.172 95 N HN -0.182 7.953 8.380 -0.408 0.000 0.499 96 S N 6.578 121.783 115.700 -0.825 0.000 2.555 96 S HA -0.037 4.081 4.470 -0.586 0.000 0.230 96 S C 0.601 175.032 174.600 -0.283 0.000 0.978 96 S CA 2.133 60.017 58.200 -0.527 0.000 0.934 96 S CB -0.206 62.845 63.200 -0.249 0.000 0.766 96 S HN 0.621 8.544 8.310 -0.645 0.000 0.533 97 N N 1.980 120.516 118.700 -0.273 0.000 2.402 97 N HA 0.063 4.685 4.740 -0.196 0.000 0.174 97 N C 0.963 176.321 175.510 -0.254 0.000 1.027 97 N CA 2.151 55.071 53.050 -0.216 0.000 0.891 97 N CB 0.779 39.166 38.487 -0.168 0.000 1.016 97 N HN 0.309 8.745 8.380 -0.303 -0.238 0.439 98 T N -4.000 110.400 114.554 -0.257 0.000 3.015 98 T HA 0.087 4.247 4.350 -0.316 0.000 0.250 98 T C 0.110 174.634 174.700 -0.293 0.000 1.057 98 T CA 0.376 62.316 62.100 -0.266 0.000 1.066 98 T CB 1.860 70.626 68.868 -0.171 0.000 0.959 98 T HN -0.304 8.063 8.240 -0.258 -0.281 0.488 99 L N -3.448 117.641 121.223 -0.223 0.000 4.140 99 L HA -0.496 3.972 4.340 0.075 -0.083 0.406 99 L C -1.890 175.021 176.870 0.069 0.000 1.175 99 L CA 0.305 55.122 54.840 -0.038 0.000 0.939 99 L CB -2.624 39.374 42.059 -0.101 0.000 2.105 99 L HN -0.223 7.850 8.230 -0.263 0.000 0.803 100 N N -0.842 117.851 118.700 -0.012 0.000 2.513 100 N HA -0.140 4.649 4.740 0.082 0.000 0.268 100 N C -0.032 175.522 175.510 0.074 0.000 1.180 100 N CA 0.708 53.780 53.050 0.037 0.000 0.948 100 N CB 1.169 39.650 38.487 -0.010 0.000 1.083 100 N HN -0.699 7.578 8.380 -0.105 0.041 0.455 101 N N -0.982 117.756 118.700 0.064 0.000 2.756 101 N HA -0.472 4.204 4.740 -0.106 0.000 0.248 101 N C -1.371 174.114 175.510 -0.041 0.000 1.062 101 N CA 1.369 54.363 53.050 -0.094 0.000 0.696 101 N CB -1.514 36.804 38.487 -0.282 0.000 0.946 101 N HN 0.622 9.063 8.380 0.101 0.000 0.548 102 D N -0.988 119.433 120.400 0.035 0.000 2.551 102 D HA 0.057 4.695 4.640 -0.003 0.000 0.223 102 D C -1.677 174.531 176.300 -0.153 0.000 1.144 102 D CA -0.323 53.692 54.000 0.025 0.000 1.025 102 D CB -0.712 40.199 40.800 0.185 0.000 1.085 102 D HN -0.153 8.255 8.370 0.062 0.000 0.506 103 I N 2.344 122.759 120.570 -0.258 0.000 2.802 103 I HA 0.589 4.846 4.170 -0.141 -0.172 0.298 103 I C -3.074 172.993 176.117 -0.083 0.000 1.176 103 I CA -1.507 59.663 61.300 -0.217 0.000 1.025 103 I CB 4.108 41.834 38.000 -0.456 0.000 1.243 103 I HN -0.096 7.914 8.210 -0.268 0.040 0.424 104 M N 6.344 125.970 119.600 0.043 0.000 2.470 104 M HA 0.730 5.531 4.480 0.242 -0.176 0.285 104 M C -2.761 173.670 176.300 0.219 0.000 1.213 104 M CA -1.116 54.277 55.300 0.156 0.000 0.901 104 M CB 4.870 37.516 32.600 0.078 0.000 1.718 104 M HN 0.424 8.734 8.290 0.033 0.000 0.469 105 L N 2.844 124.235 121.223 0.281 0.000 2.334 105 L HA 0.870 5.536 4.340 0.262 -0.169 0.276 105 L C -1.334 175.731 176.870 0.325 0.000 1.014 105 L CA -1.483 53.536 54.840 0.299 0.000 0.815 105 L CB 3.276 45.480 42.059 0.242 0.000 1.268 105 L HN 0.382 8.801 8.230 0.314 0.000 0.428 106 I N 0.932 121.676 120.570 0.291 0.000 2.465 106 I HA 0.548 4.943 4.170 0.103 -0.163 0.291 106 I C -1.637 174.436 176.117 -0.073 0.000 1.014 106 I CA -1.352 60.015 61.300 0.112 0.000 1.093 106 I CB 3.210 41.245 38.000 0.059 0.000 1.267 106 I HN 0.996 9.297 8.210 0.322 0.101 0.431 107 K N 6.457 126.621 120.400 -0.393 0.000 2.159 107 K HA 0.665 4.351 4.320 -1.310 -0.153 0.266 107 K C -1.127 175.194 176.600 -0.466 0.000 0.975 107 K CA -1.859 53.856 56.287 -0.953 0.000 0.865 107 K CB 3.120 34.892 32.500 -1.214 0.000 1.087 107 K HN 0.751 8.856 8.250 -0.242 0.000 0.446 108 L N 4.276 125.248 121.223 -0.417 0.000 2.357 108 L HA 0.282 4.638 4.340 -0.167 -0.116 0.273 108 L C 1.806 178.558 176.870 -0.196 0.000 1.080 108 L CA -0.309 54.400 54.840 -0.220 0.000 0.803 108 L CB 0.538 42.509 42.059 -0.148 0.000 1.174 108 L HN 0.816 8.616 8.230 -0.547 0.101 0.443 109 K N 3.544 123.868 120.400 -0.126 0.000 2.057 109 K HA -0.333 3.923 4.320 -0.106 0.000 0.207 109 K C -0.593 175.959 176.600 -0.081 0.000 1.049 109 K CA 2.697 58.928 56.287 -0.094 0.000 0.931 109 K CB 0.372 32.836 32.500 -0.062 0.000 0.714 109 K HN 0.659 8.847 8.250 -0.105 0.000 0.440 110 S N -4.096 111.563 115.700 -0.067 0.000 2.632 110 S HA 0.121 4.560 4.470 -0.051 0.000 0.289 110 S C -1.742 172.830 174.600 -0.047 0.000 1.115 110 S CA -1.032 57.139 58.200 -0.049 0.000 0.889 110 S CB 2.776 65.959 63.200 -0.029 0.000 1.116 110 S HN -0.353 7.920 8.310 -0.063 0.000 0.486 111 A N -0.461 122.340 122.820 -0.032 0.000 2.386 111 A HA 0.110 4.551 4.320 -0.029 -0.139 0.248 111 A C -0.353 177.229 177.584 -0.004 0.000 1.082 111 A CA -0.173 51.854 52.037 -0.018 0.000 0.789 111 A CB 0.583 19.582 19.000 -0.001 0.000 1.025 111 A HN 0.204 8.338 8.150 -0.026 0.000 0.490 112 A N 0.350 123.175 122.820 0.008 0.000 2.286 112 A HA 0.251 4.654 4.320 0.013 -0.075 0.286 112 A C -0.575 177.020 177.584 0.020 0.000 1.097 112 A CA -1.477 50.571 52.037 0.017 0.000 0.821 112 A CB 1.582 20.601 19.000 0.031 0.000 1.076 112 A HN 0.282 8.330 8.150 0.011 0.108 0.490 113 S N 0.289 115.999 115.700 0.017 0.000 2.430 113 S HA 0.092 4.571 4.470 0.016 0.000 0.289 113 S C -0.501 174.113 174.600 0.023 0.000 1.143 113 S CA -0.460 57.749 58.200 0.016 0.000 1.067 113 S CB 0.483 63.687 63.200 0.007 0.000 0.964 113 S HN 0.017 8.678 8.310 0.015 -0.342 0.485 114 L N 6.072 127.312 121.223 0.028 0.000 2.375 114 L HA 0.252 4.751 4.340 0.040 -0.135 0.271 114 L C -0.399 176.489 176.870 0.029 0.000 1.107 114 L CA -0.254 54.607 54.840 0.036 0.000 0.806 114 L CB 0.630 42.714 42.059 0.042 0.000 1.146 114 L HN 0.222 8.468 8.230 0.027 0.000 0.447 115 N N 2.831 121.550 118.700 0.031 0.000 3.588 115 N HA 0.158 4.912 4.740 0.023 0.000 0.340 115 N C -1.420 174.108 175.510 0.029 0.000 1.609 115 N CA -0.606 52.459 53.050 0.025 0.000 0.811 115 N CB 0.607 39.105 38.487 0.017 0.000 2.184 115 N HN 0.428 8.718 8.380 0.037 0.111 0.577 116 S N -3.221 112.493 115.700 0.024 0.000 2.461 116 S HA -0.129 4.360 4.470 0.032 0.000 0.228 116 S C 0.664 175.279 174.600 0.024 0.000 1.005 116 S CA 2.021 60.236 58.200 0.026 0.000 0.942 116 S CB 0.137 63.349 63.200 0.020 0.000 0.776 116 S HN 0.050 8.372 8.310 0.019 0.000 0.514 117 R N -1.047 119.466 120.500 0.021 0.000 2.254 117 R HA 0.163 4.510 4.340 0.011 0.000 0.195 117 R C -1.068 175.246 176.300 0.023 0.000 0.957 117 R CA -0.020 56.090 56.100 0.017 0.000 1.024 117 R CB 0.960 31.269 30.300 0.015 0.000 0.952 117 R HN -0.065 8.458 8.270 0.020 -0.242 0.484 118 V N -1.542 118.392 119.914 0.033 0.000 2.447 118 V HA 0.266 4.600 4.120 0.046 -0.187 0.292 118 V C -2.173 173.957 176.094 0.061 0.000 1.021 118 V CA -1.046 61.282 62.300 0.047 0.000 0.850 118 V CB 2.313 34.162 31.823 0.044 0.000 1.005 118 V HN -0.145 8.320 8.190 0.032 -0.255 0.426 119 A N 6.682 129.554 122.820 0.087 0.000 2.556 119 A HA 0.478 4.849 4.320 0.084 0.000 0.294 119 A C -2.708 174.968 177.584 0.152 0.000 1.091 119 A CA -1.176 50.925 52.037 0.106 0.000 0.704 119 A CB 3.374 22.439 19.000 0.107 0.000 1.300 119 A HN 0.151 8.241 8.150 0.091 0.114 0.406 120 S N -1.425 114.351 115.700 0.126 0.000 2.693 120 S HA 0.577 5.280 4.470 0.167 -0.133 0.276 120 S C -0.573 174.083 174.600 0.094 0.000 1.192 120 S CA -1.324 56.952 58.200 0.127 0.000 0.994 120 S CB 1.764 65.018 63.200 0.089 0.000 1.012 120 S HN -0.019 8.350 8.310 0.097 0.000 0.550 121 I N 0.405 120.984 120.570 0.016 0.000 2.648 121 I HA 0.220 4.324 4.170 -0.109 0.000 0.304 121 I C -1.077 174.991 176.117 -0.081 0.000 1.009 121 I CA -1.620 59.594 61.300 -0.143 0.000 1.114 121 I CB 4.031 41.717 38.000 -0.524 0.000 1.293 121 I HN 0.211 8.444 8.210 0.039 0.000 0.449 122 S N 5.941 121.592 115.700 -0.082 0.000 2.584 122 S HA 0.226 4.680 4.470 -0.026 0.000 0.273 122 S C -0.695 173.878 174.600 -0.046 0.000 1.311 122 S CA -0.241 57.932 58.200 -0.046 0.000 1.034 122 S CB 0.820 63.998 63.200 -0.036 0.000 0.939 122 S HN 0.233 8.481 8.310 -0.102 0.000 0.513 123 L N 2.543 123.754 121.223 -0.022 0.000 2.399 123 L HA 0.181 4.519 4.340 -0.003 0.000 0.266 123 L C -1.280 175.586 176.870 -0.007 0.000 1.114 123 L CA -2.087 52.750 54.840 -0.004 0.000 0.804 123 L CB 0.158 42.224 42.059 0.011 0.000 1.146 123 L HN 0.210 8.430 8.230 -0.016 0.000 0.451 124 P HA 0.128 4.537 4.420 -0.019 0.000 0.276 124 P C -1.202 176.096 177.300 -0.002 0.000 1.252 124 P CA -0.723 62.373 63.100 -0.008 0.000 0.802 124 P CB 0.777 32.471 31.700 -0.010 0.000 1.035 128 c N 0.509 119.083 118.600 -0.044 0.000 2.580 128 c HA 0.057 4.586 4.570 -0.068 0.000 0.371 128 c C 0.042 174.072 174.090 -0.099 0.000 1.308 128 c CA -0.644 55.642 56.329 -0.070 0.000 2.428 128 c CB 0.413 42.885 42.510 -0.064 0.000 2.529 128 c HN -0.036 8.171 8.230 -0.038 0.000 0.657 129 A N 0.690 123.416 122.820 -0.157 0.000 2.279 129 A HA 0.100 4.347 4.320 -0.122 0.000 0.303 129 A C -0.918 176.565 177.584 -0.168 0.000 1.108 129 A CA -0.394 51.542 52.037 -0.168 0.000 0.830 129 A CB 1.270 20.133 19.000 -0.229 0.000 1.106 129 A HN 0.226 8.256 8.150 -0.201 0.000 0.493 133 G N 0.449 109.209 108.800 -0.067 0.000 2.268 133 G HA2 -0.271 3.656 3.960 -0.056 0.000 0.240 133 G HA3 -0.271 3.661 3.960 -0.047 0.000 0.240 133 G C 0.068 174.930 174.900 -0.064 0.000 1.010 133 G CA 0.245 45.310 45.100 -0.058 0.000 0.618 133 G HN 0.717 8.857 8.290 -0.070 0.108 0.516 134 T N 3.467 117.972 114.554 -0.082 0.000 2.934 134 T HA -0.222 4.090 4.350 -0.062 0.000 0.306 134 T C -1.132 173.522 174.700 -0.076 0.000 1.042 134 T CA 2.543 64.594 62.100 -0.082 0.000 1.145 134 T CB 0.605 69.406 68.868 -0.112 0.000 0.982 134 T HN -0.630 7.462 8.240 -0.095 0.091 0.544 135 Q N 5.768 125.538 119.800 -0.050 0.000 2.256 135 Q HA 0.224 4.663 4.340 -0.040 -0.123 0.254 135 Q C -0.881 175.102 176.000 -0.028 0.000 0.916 135 Q CA 0.112 55.897 55.803 -0.030 0.000 0.932 135 Q CB 1.545 30.281 28.738 -0.003 0.000 1.207 135 Q HN 0.191 8.435 8.270 -0.043 0.000 0.426 136 c N 3.579 122.164 118.600 -0.025 0.000 3.044 136 c HA 0.644 5.317 4.570 -0.015 -0.111 0.315 136 c C -1.917 172.180 174.090 0.010 0.000 1.320 136 c CA -1.620 54.697 56.329 -0.021 0.000 1.582 136 c CB 4.339 46.816 42.510 -0.054 0.000 2.039 136 c HN 0.842 8.948 8.230 -0.026 0.108 0.466 137 L N 0.898 122.134 121.223 0.022 0.000 2.325 137 L HA 0.937 5.502 4.340 0.050 -0.195 0.281 137 L C -2.175 174.709 176.870 0.023 0.000 1.004 137 L CA -1.367 53.499 54.840 0.043 0.000 0.823 137 L CB 3.223 45.329 42.059 0.079 0.000 1.236 137 L HN 0.654 8.787 8.230 0.016 0.107 0.415 138 I N 7.577 128.145 120.570 -0.003 0.000 2.474 138 I HA 0.872 5.285 4.170 0.012 -0.236 0.294 138 I C -1.268 174.817 176.117 -0.053 0.000 1.005 138 I CA -1.522 59.772 61.300 -0.010 0.000 1.113 138 I CB 2.529 40.525 38.000 -0.007 0.000 1.289 138 I HN 0.882 9.091 8.210 -0.002 0.000 0.436 139 S N 2.403 118.065 115.700 -0.063 0.000 2.618 139 S HA 1.042 5.541 4.470 -0.224 -0.163 0.277 139 S C -1.109 173.370 174.600 -0.202 0.000 1.138 139 S CA -1.843 56.245 58.200 -0.188 0.000 0.844 139 S CB 3.768 66.819 63.200 -0.249 0.000 1.127 139 S HN -0.219 8.085 8.310 -0.010 0.000 0.474 140 G N -1.367 107.215 108.800 -0.364 0.000 2.321 140 G HA2 0.117 3.812 3.960 -0.442 0.000 0.298 140 G HA3 0.117 4.181 3.960 -0.073 -0.148 0.298 140 G C -2.168 172.499 174.900 -0.388 0.000 1.385 140 G CA 0.507 45.413 45.100 -0.323 0.000 0.856 140 G HN 0.231 8.246 8.290 -0.458 0.000 0.584 141 W N 1.317 122.572 121.300 -0.076 0.000 3.151 141 W HA 0.350 4.964 4.660 -0.076 0.000 0.424 141 W C -0.189 176.378 176.519 0.080 0.000 1.012 141 W CA -0.933 56.339 57.345 -0.121 0.000 2.018 141 W CB -0.089 29.092 29.460 -0.466 0.000 1.087 141 W HN 0.589 8.913 8.180 0.240 0.000 0.740 142 G N 0.671 109.644 108.800 0.288 0.000 2.588 142 G HA2 -0.018 4.307 3.960 0.570 0.000 0.281 142 G HA3 -0.018 4.261 3.960 0.273 -0.155 0.281 142 G C -0.963 174.032 174.900 0.158 0.000 1.236 142 G CA -0.876 44.430 45.100 0.343 0.000 0.969 142 G HN -0.564 7.956 8.290 0.170 -0.128 0.504 143 N N -0.282 118.408 118.700 -0.016 0.000 2.293 143 N HA -0.316 4.192 4.740 -0.683 -0.178 0.253 143 N C 0.836 176.262 175.510 -0.140 0.000 1.248 143 N CA 1.227 54.063 53.050 -0.356 0.000 0.845 143 N CB 0.628 38.891 38.487 -0.374 0.000 1.073 143 N HN 0.189 8.658 8.380 0.149 0.000 0.464 144 T N 0.516 114.982 114.554 -0.146 0.000 3.054 144 T HA 0.197 4.650 4.350 -0.048 -0.132 0.255 144 T C 0.174 174.837 174.700 -0.061 0.000 1.035 144 T CA 0.354 62.412 62.100 -0.070 0.000 0.941 144 T CB 1.324 70.163 68.868 -0.047 0.000 1.026 144 T HN 0.156 8.271 8.240 -0.208 0.000 0.533 145 K N 2.462 122.812 120.400 -0.083 0.000 2.259 145 K HA 0.303 4.602 4.320 -0.035 0.000 0.252 145 K C -0.397 176.179 176.600 -0.039 0.000 0.936 145 K CA -1.090 55.165 56.287 -0.053 0.000 0.810 145 K CB 2.682 35.147 32.500 -0.058 0.000 1.143 145 K HN -0.711 7.674 8.250 -0.132 -0.214 0.427 146 S N 0.511 116.201 115.700 -0.016 0.000 2.439 146 S HA -0.073 4.400 4.470 0.005 0.000 0.224 146 S C -0.102 174.501 174.600 0.004 0.000 1.029 146 S CA 1.673 59.874 58.200 0.001 0.000 0.946 146 S CB 0.910 64.117 63.200 0.011 0.000 0.797 146 S HN 0.123 8.425 8.310 -0.013 0.000 0.504 147 S N 1.861 117.560 115.700 -0.002 0.000 2.328 147 S HA 0.191 4.666 4.470 0.009 0.000 0.204 147 S C -0.820 173.777 174.600 -0.004 0.000 1.475 147 S CA -0.186 58.016 58.200 0.003 0.000 1.148 147 S CB -0.458 62.745 63.200 0.005 0.000 1.077 147 S HN -0.461 7.845 8.310 -0.006 0.000 0.479 148 G N 1.519 110.315 108.800 -0.007 0.000 2.343 148 G HA2 -0.177 3.784 3.960 0.002 0.000 0.465 148 G HA3 -0.177 3.775 3.960 -0.012 0.000 0.465 148 G C -2.806 172.069 174.900 -0.042 0.000 1.282 148 G CA -0.605 44.488 45.100 -0.012 0.000 0.996 148 G HN -0.444 7.844 8.290 -0.003 0.000 0.521 149 T N -3.971 110.554 114.554 -0.048 0.000 2.841 149 T HA 0.105 4.498 4.350 -0.252 -0.195 0.285 149 T C -1.501 173.110 174.700 -0.148 0.000 0.991 149 T CA -1.296 60.720 62.100 -0.140 0.000 0.966 149 T CB 2.148 71.020 68.868 0.007 0.000 0.962 149 T HN -0.175 8.056 8.240 -0.015 0.000 0.438 150 S N 4.250 119.778 115.700 -0.286 0.000 2.775 150 S HA 0.231 4.688 4.470 -0.022 0.000 0.277 150 S C -2.079 172.386 174.600 -0.226 0.000 1.156 150 S CA -0.463 57.658 58.200 -0.131 0.000 1.081 150 S CB 1.124 64.281 63.200 -0.072 0.000 1.054 150 S HN 0.782 9.232 8.310 -0.458 -0.415 0.482 151 Y N 5.623 125.963 120.300 0.066 0.000 2.320 151 Y HA 0.191 4.797 4.550 0.095 0.000 0.334 151 Y C -0.850 175.099 175.900 0.083 0.000 1.055 151 Y CA -2.578 55.574 58.100 0.087 0.000 1.143 151 Y CB 0.906 39.428 38.460 0.103 0.000 1.193 151 Y HN 0.082 8.496 8.280 0.224 0.000 0.477 152 P HA 0.249 4.749 4.420 0.133 0.000 0.278 152 P C -1.583 175.848 177.300 0.218 0.000 1.266 152 P CA -1.044 62.162 63.100 0.178 0.000 0.807 152 P CB 1.830 33.607 31.700 0.130 0.000 1.094 153 D N -2.566 117.938 120.400 0.174 0.000 2.259 153 D HA -0.019 4.683 4.640 0.104 0.000 0.216 153 D C -0.666 175.784 176.300 0.250 0.000 0.961 153 D CA 1.758 55.846 54.000 0.146 0.000 0.878 153 D CB 0.834 41.688 40.800 0.092 0.000 1.009 153 D HN 0.403 8.857 8.370 0.139 0.000 0.490 154 V N -7.615 112.447 119.914 0.247 0.000 2.966 154 V HA 0.636 5.188 4.120 0.434 -0.172 0.317 154 V C -0.651 175.523 176.094 0.133 0.000 1.070 154 V CA -2.729 59.739 62.300 0.279 0.000 1.008 154 V CB 1.937 33.836 31.823 0.126 0.000 1.070 154 V HN -0.899 7.393 8.190 0.170 0.000 0.457 155 L N 1.448 122.620 121.223 -0.084 0.000 2.455 155 L HA -0.047 3.478 4.340 -1.357 0.000 0.272 155 L C -0.288 176.332 176.870 -0.416 0.000 1.174 155 L CA 0.814 55.237 54.840 -0.695 0.000 0.869 155 L CB 0.686 42.320 42.059 -0.708 0.000 1.130 155 L HN -0.078 8.396 8.230 0.120 -0.172 0.474 156 K N 5.503 125.630 120.400 -0.456 0.000 2.203 156 K HA 0.659 4.946 4.320 -0.321 -0.159 0.251 156 K C -1.189 175.158 176.600 -0.420 0.000 0.944 156 K CA -2.513 53.566 56.287 -0.347 0.000 0.829 156 K CB 2.481 34.842 32.500 -0.231 0.000 1.125 156 K HN -0.239 7.658 8.250 -0.588 0.000 0.430 157 c N -0.325 117.929 118.600 -0.576 0.000 2.707 157 c HA 0.957 5.463 4.570 -0.400 -0.176 0.313 157 c C -1.822 171.902 174.090 -0.610 0.000 1.209 157 c CA -0.747 55.189 56.329 -0.655 0.000 1.635 157 c CB 3.619 45.578 42.510 -0.919 0.000 2.206 157 c HN 0.816 8.538 8.230 -0.671 0.106 0.485 158 L N 0.236 121.306 121.223 -0.255 0.000 2.482 158 L HA 0.390 4.765 4.340 0.059 0.000 0.263 158 L C -2.492 174.439 176.870 0.102 0.000 0.957 158 L CA 0.009 54.844 54.840 -0.009 0.000 0.836 158 L CB 4.484 46.560 42.059 0.028 0.000 1.324 158 L HN 0.712 8.828 8.230 -0.190 0.000 0.406 159 K N 5.543 126.069 120.400 0.210 0.000 2.185 159 K HA 0.866 5.466 4.320 0.126 -0.205 0.269 159 K C -1.008 175.725 176.600 0.222 0.000 0.987 159 K CA -1.471 54.925 56.287 0.182 0.000 0.865 159 K CB 1.416 34.029 32.500 0.189 0.000 1.090 159 K HN 0.337 8.744 8.250 0.262 0.000 0.450 160 A N 4.051 126.939 122.820 0.114 0.000 2.549 160 A HA 0.685 5.021 4.320 0.027 0.000 0.297 160 A C -3.424 174.098 177.584 -0.103 0.000 1.061 160 A CA -2.602 49.439 52.037 0.006 0.000 0.690 160 A CB 3.123 22.128 19.000 0.009 0.000 1.287 160 A HN 0.960 9.145 8.150 0.058 0.000 0.402 161 P HA 0.818 5.397 4.420 -0.102 -0.220 0.285 161 P C -1.108 176.120 177.300 -0.121 0.000 1.269 161 P CA -1.524 61.486 63.100 -0.149 0.000 0.844 161 P CB 1.686 33.294 31.700 -0.154 0.000 1.094 162 I N -0.278 120.237 120.570 -0.092 0.000 2.474 162 I HA 0.011 4.329 4.170 0.060 -0.112 0.287 162 I C 0.070 176.168 176.117 -0.031 0.000 1.048 162 I CA 0.196 61.468 61.300 -0.046 0.000 1.383 162 I CB 0.500 38.389 38.000 -0.184 0.000 1.412 162 I HN 0.073 8.220 8.210 -0.105 0.000 0.531 163 L N 6.149 127.390 121.223 0.031 0.000 2.431 163 L HA 0.284 4.612 4.340 -0.019 0.000 0.260 163 L C 0.011 176.896 176.870 0.024 0.000 1.098 163 L CA -1.018 53.830 54.840 0.014 0.000 0.800 163 L CB 0.606 42.684 42.059 0.032 0.000 1.210 163 L HN 0.314 8.499 8.230 0.110 0.111 0.465 164 S N -1.523 114.185 115.700 0.014 0.000 2.600 164 S HA -0.083 4.391 4.470 0.006 0.000 0.265 164 S C 0.428 175.051 174.600 0.039 0.000 1.325 164 S CA -0.838 57.371 58.200 0.015 0.000 1.002 164 S CB 1.712 64.916 63.200 0.007 0.000 0.921 164 S HN -0.077 8.236 8.310 0.006 0.000 0.554 165 D N 1.184 121.607 120.400 0.039 0.000 2.144 165 D HA -0.233 4.454 4.640 0.078 0.000 0.199 165 D C 1.714 178.046 176.300 0.052 0.000 0.984 165 D CA 3.308 57.341 54.000 0.056 0.000 0.834 165 D CB -0.203 40.625 40.800 0.046 0.000 0.955 165 D HN 0.545 8.930 8.370 0.025 0.000 0.465 166 S N -1.325 114.396 115.700 0.035 0.000 2.383 166 S HA -0.298 4.193 4.470 0.035 0.000 0.227 166 S C 2.071 176.690 174.600 0.030 0.000 1.026 166 S CA 3.631 61.849 58.200 0.030 0.000 0.981 166 S CB -0.212 62.999 63.200 0.019 0.000 0.818 166 S HN 0.020 8.338 8.310 0.027 0.009 0.472 167 S N 3.213 118.929 115.700 0.027 0.000 2.383 167 S HA -0.228 4.248 4.470 0.009 0.000 0.227 167 S C 1.815 176.434 174.600 0.032 0.000 1.026 167 S CA 3.817 62.029 58.200 0.019 0.000 0.981 167 S CB -0.150 63.058 63.200 0.014 0.000 0.818 167 S HN -0.560 7.765 8.310 0.026 0.000 0.472 168 c N 3.424 122.063 118.600 0.065 0.000 2.436 168 c HA -0.311 4.332 4.570 0.122 0.000 0.277 168 c C 1.728 175.901 174.090 0.138 0.000 1.241 168 c CA 2.742 59.141 56.329 0.115 0.000 1.721 168 c CB -1.692 40.896 42.510 0.130 0.000 2.043 168 c HN -0.178 8.080 8.230 0.062 0.009 0.472 169 K N -1.119 119.347 120.400 0.109 0.000 2.148 169 K HA -0.325 4.090 4.320 0.158 0.000 0.204 169 K C 2.345 178.990 176.600 0.075 0.000 1.050 169 K CA 2.982 59.335 56.287 0.111 0.000 0.942 169 K CB -0.266 32.283 32.500 0.083 0.000 0.724 169 K HN 0.123 8.428 8.250 0.091 0.000 0.446 170 S N -2.550 113.173 115.700 0.038 0.000 2.428 170 S HA -0.172 4.307 4.470 0.016 0.000 0.230 170 S C 0.894 175.471 174.600 -0.038 0.000 1.014 170 S CA 2.286 60.490 58.200 0.007 0.000 0.957 170 S CB -0.083 63.116 63.200 -0.002 0.000 0.784 170 S HN -0.228 8.006 8.310 0.039 0.099 0.499 171 A N -0.350 122.422 122.820 -0.080 0.000 1.975 171 A HA -0.046 4.127 4.320 -0.244 0.000 0.215 171 A C -0.301 177.017 177.584 -0.442 0.000 1.170 171 A CA 1.706 53.567 52.037 -0.294 0.000 0.656 171 A CB 0.943 19.698 19.000 -0.409 0.000 0.821 171 A HN -0.729 7.262 8.150 -0.026 0.144 0.449 172 Y N -5.147 115.193 120.300 0.067 0.000 2.553 172 Y HA 0.472 5.096 4.550 0.123 0.000 0.369 172 Y C -2.429 173.532 175.900 0.103 0.000 0.964 172 Y CA -3.583 54.588 58.100 0.119 0.000 1.156 172 Y CB -0.349 38.231 38.460 0.199 0.000 1.218 172 Y HN -0.464 7.865 8.280 0.081 0.000 0.630 173 P HA -0.149 4.443 4.420 0.106 -0.109 0.262 173 P C 0.870 178.241 177.300 0.118 0.000 1.182 173 P CA 1.272 64.439 63.100 0.111 0.000 0.761 173 P CB 0.005 31.743 31.700 0.063 0.000 0.795 174 G N 3.914 112.774 108.800 0.099 0.000 2.168 174 G HA2 -0.366 3.631 3.960 0.061 0.000 0.263 174 G HA3 -0.366 3.628 3.960 0.057 0.000 0.263 174 G C 0.061 175.011 174.900 0.083 0.000 0.977 174 G CA 0.659 45.804 45.100 0.075 0.000 0.659 174 G HN 0.528 8.875 8.290 0.094 0.000 0.533 175 Q N -2.560 117.326 119.800 0.144 0.000 2.164 175 Q HA 0.108 4.476 4.340 0.047 0.000 0.226 175 Q C -0.696 175.426 176.000 0.204 0.000 0.813 175 Q CA -0.545 55.339 55.803 0.136 0.000 0.978 175 Q CB 1.599 30.439 28.738 0.169 0.000 1.149 175 Q HN -0.278 8.052 8.270 0.191 0.055 0.489 176 I N 0.373 121.062 120.570 0.198 0.000 2.321 176 I HA 0.067 4.374 4.170 0.229 0.000 0.291 176 I C -0.158 176.033 176.117 0.123 0.000 0.998 176 I CA -2.149 59.261 61.300 0.184 0.000 1.227 176 I CB -0.666 37.438 38.000 0.173 0.000 1.368 176 I HN -0.406 7.911 8.210 0.177 0.000 0.466 177 T N 2.434 117.057 114.554 0.115 0.000 2.910 177 T HA 0.343 4.730 4.350 0.063 0.000 0.279 177 T C 0.751 175.498 174.700 0.078 0.000 0.989 177 T CA -2.090 60.056 62.100 0.078 0.000 0.968 177 T CB 2.379 71.285 68.868 0.063 0.000 1.135 177 T HN -0.377 7.947 8.240 0.139 0.000 0.562 178 S N -2.316 113.416 115.700 0.053 0.000 2.603 178 S HA -0.202 4.304 4.470 0.060 0.000 0.229 178 S C -0.033 174.603 174.600 0.060 0.000 0.972 178 S CA 1.772 60.001 58.200 0.048 0.000 0.935 178 S CB -0.205 63.004 63.200 0.015 0.000 0.769 178 S HN 0.252 8.584 8.310 0.036 0.000 0.536 179 N N -0.119 118.627 118.700 0.078 0.000 2.251 179 N HA 0.121 4.917 4.740 0.094 0.000 0.217 179 N C -1.730 173.891 175.510 0.185 0.000 1.124 179 N CA -0.266 52.859 53.050 0.125 0.000 0.843 179 N CB 0.779 39.359 38.487 0.155 0.000 1.024 179 N HN -0.672 7.672 8.380 0.076 0.082 0.501 180 M N -1.210 118.488 119.600 0.164 0.000 2.593 180 M HA 0.887 5.645 4.480 0.092 -0.222 0.290 180 M C -2.401 174.018 176.300 0.198 0.000 1.244 180 M CA -0.421 54.955 55.300 0.128 0.000 0.857 180 M CB 5.238 37.891 32.600 0.088 0.000 1.738 180 M HN -0.725 7.560 8.290 0.145 0.093 0.461 181 F N -6.141 113.850 119.950 0.069 0.000 2.668 181 F HA 0.611 5.167 4.527 0.049 0.000 0.309 181 F C -2.771 173.080 175.800 0.085 0.000 1.117 181 F CA -1.573 56.466 58.000 0.065 0.000 0.951 181 F CB 2.357 41.393 39.000 0.060 0.000 1.323 181 F HN 0.193 8.368 8.300 -0.209 0.000 0.451 182 c N 0.191 118.960 118.600 0.282 0.000 2.366 182 c HA 1.020 5.850 4.570 0.077 -0.214 0.345 182 c C -0.948 173.337 174.090 0.325 0.000 1.209 182 c CA -0.940 55.503 56.329 0.189 0.000 2.050 182 c CB 2.665 45.255 42.510 0.134 0.000 2.359 182 c HN 0.885 9.310 8.230 0.325 0.000 0.527 183 A N 2.913 125.902 122.820 0.282 0.000 2.530 183 A HA 0.679 5.203 4.320 0.084 -0.154 0.279 183 A C -2.247 175.387 177.584 0.082 0.000 1.109 183 A CA -0.345 51.776 52.037 0.140 0.000 0.763 183 A CB 2.596 21.597 19.000 0.002 0.000 1.257 183 A HN 0.398 8.738 8.150 0.316 0.000 0.424 184 Y N 2.861 123.194 120.300 0.055 0.000 2.350 184 Y HA 0.066 4.637 4.550 0.034 0.000 0.340 184 Y C 0.963 176.881 175.900 0.029 0.000 1.006 184 Y CA -0.194 57.928 58.100 0.038 0.000 1.166 184 Y CB 0.615 39.096 38.460 0.033 0.000 1.168 184 Y HN 0.248 8.671 8.280 0.238 0.000 0.502 185 L N 3.978 125.272 121.223 0.119 0.000 2.275 185 L HA -0.296 4.076 4.340 0.053 0.000 0.215 185 L C 1.089 178.003 176.870 0.074 0.000 1.119 185 L CA 2.154 57.035 54.840 0.069 0.000 0.790 185 L CB -0.413 41.666 42.059 0.033 0.000 0.919 185 L HN 0.530 8.814 8.230 0.089 0.000 0.443 186 E N -3.078 117.185 120.200 0.105 0.000 2.427 186 E HA -0.171 4.208 4.350 0.048 0.000 0.196 186 E C 0.284 176.920 176.600 0.060 0.000 1.028 186 E CA 0.314 56.755 56.400 0.070 0.000 0.864 186 E CB -0.222 29.517 29.700 0.065 0.000 0.813 186 E HN 0.083 8.492 8.360 0.153 0.042 0.514 187 G N 0.735 109.588 108.800 0.088 0.000 3.391 187 G HA2 -0.358 3.687 3.960 0.083 0.000 0.683 187 G HA3 -0.358 3.629 3.960 0.044 0.000 0.683 187 G C -0.872 174.051 174.900 0.038 0.000 1.071 187 G CA -0.273 44.866 45.100 0.066 0.000 0.904 187 G HN -0.555 7.653 8.290 0.135 0.164 0.452 188 K N 1.391 121.787 120.400 -0.007 0.000 7.012 188 K HA -0.601 3.977 4.320 0.003 -0.256 0.677 188 K C -1.295 175.397 176.600 0.153 0.000 2.516 188 K CA 0.503 56.800 56.287 0.017 0.000 1.841 188 K CB -0.061 32.343 32.500 -0.161 0.000 1.900 188 K HN 0.156 8.429 8.250 0.038 0.000 0.293 189 D N 0.237 120.713 120.400 0.125 0.000 2.764 189 D HA 0.302 5.063 4.640 0.201 0.000 0.293 189 D C -1.910 174.459 176.300 0.114 0.000 1.287 189 D CA -0.576 53.513 54.000 0.148 0.000 0.768 189 D CB 4.283 45.153 40.800 0.117 0.000 1.288 189 D HN 0.099 8.518 8.370 0.082 0.000 0.426 190 S N -1.684 114.096 115.700 0.133 0.000 2.707 190 S HA 0.363 4.947 4.470 0.090 -0.060 0.276 190 S C -1.378 173.269 174.600 0.080 0.000 1.179 190 S CA -0.594 57.674 58.200 0.114 0.000 0.992 190 S CB 1.795 65.101 63.200 0.177 0.000 1.030 190 S HN 0.286 8.692 8.310 0.160 0.000 0.554 191 c N -1.530 117.121 118.600 0.084 0.000 3.293 191 c HA 0.310 4.924 4.570 0.073 0.000 0.362 191 c C -1.547 172.621 174.090 0.131 0.000 1.539 191 c CA -0.681 55.697 56.329 0.083 0.000 1.201 191 c CB 3.006 45.546 42.510 0.050 0.000 1.770 191 c HN 0.363 8.964 8.230 0.099 -0.311 0.440 192 Q N 2.020 121.909 119.800 0.147 0.000 2.286 192 Q HA -0.237 4.231 4.340 0.214 0.000 0.290 192 Q C 0.513 176.711 176.000 0.330 0.000 1.049 192 Q CA 1.937 57.875 55.803 0.225 0.000 0.923 192 Q CB 0.302 29.172 28.738 0.221 0.000 1.183 192 Q HN 0.555 8.893 8.270 0.113 0.000 0.383 193 G N 6.520 115.520 108.800 0.334 0.000 2.259 193 G HA2 -0.395 3.771 3.960 0.342 0.000 0.217 193 G HA3 -0.395 3.904 3.960 0.564 0.000 0.217 193 G C 0.463 175.600 174.900 0.395 0.000 1.001 193 G CA 0.974 46.326 45.100 0.421 0.000 0.627 193 G HN 0.804 9.262 8.290 0.279 0.000 0.501 194 D N 1.442 122.008 120.400 0.276 0.000 2.346 194 D HA 0.093 4.878 4.640 0.241 0.000 0.206 194 D C 0.181 176.582 176.300 0.170 0.000 1.001 194 D CA 0.958 55.085 54.000 0.212 0.000 0.871 194 D CB 0.690 41.579 40.800 0.149 0.000 0.943 194 D HN 0.113 8.533 8.370 0.249 0.098 0.518 195 S N -0.496 115.304 115.700 0.166 0.000 2.599 195 S HA -0.578 4.106 4.470 0.125 -0.139 0.303 195 S C 0.940 175.559 174.600 0.031 0.000 1.267 195 S CA 2.782 61.056 58.200 0.122 0.000 1.055 195 S CB 0.082 63.398 63.200 0.194 0.000 0.790 195 S HN -0.410 8.019 8.310 0.198 0.000 0.500 196 G N 4.300 113.097 108.800 -0.005 0.000 2.253 196 G HA2 -0.454 3.547 3.960 -0.048 0.000 0.251 196 G HA3 -0.454 3.574 3.960 -0.059 -0.103 0.251 196 G C -0.169 174.761 174.900 0.049 0.000 0.998 196 G CA 0.155 45.241 45.100 -0.023 0.000 0.621 196 G HN 0.792 8.985 8.290 0.016 0.106 0.524 197 G N 0.885 109.738 108.800 0.089 0.000 2.621 197 G HA2 0.371 4.474 3.960 0.115 0.000 0.271 197 G HA3 0.371 4.400 3.960 0.115 0.000 0.271 197 G C -2.656 172.321 174.900 0.129 0.000 1.236 197 G CA -1.976 43.193 45.100 0.114 0.000 0.958 197 G HN -0.269 7.986 8.290 0.096 0.093 0.512 198 P HA 0.316 4.930 4.420 0.120 -0.122 0.281 198 P C -1.619 175.742 177.300 0.102 0.000 1.249 198 P CA -0.868 62.317 63.100 0.142 0.000 0.810 198 P CB 1.615 33.459 31.700 0.240 0.000 1.008 199 V N 2.230 122.183 119.914 0.066 0.000 2.419 199 V HA 0.252 4.520 4.120 -0.015 -0.157 0.287 199 V C -1.354 174.747 176.094 0.012 0.000 1.017 199 V CA -0.398 61.907 62.300 0.007 0.000 0.844 199 V CB 1.843 33.649 31.823 -0.027 0.000 1.011 199 V HN -0.257 7.976 8.190 0.072 0.000 0.429 200 V N 7.890 127.803 119.914 -0.002 0.000 2.459 200 V HA 0.611 4.870 4.120 -0.070 -0.181 0.295 200 V C -1.387 174.688 176.094 -0.032 0.000 1.029 200 V CA -1.284 60.989 62.300 -0.045 0.000 0.874 200 V CB 3.096 34.872 31.823 -0.078 0.000 0.985 200 V HN 0.551 8.753 8.190 0.021 0.000 0.438 201 c N 7.235 125.804 118.600 -0.051 0.000 2.431 201 c HA 0.564 5.113 4.570 -0.035 0.000 0.321 201 c C 0.149 174.211 174.090 -0.048 0.000 1.202 201 c CA -1.231 55.067 56.329 -0.051 0.000 1.398 201 c CB 1.922 44.385 42.510 -0.080 0.000 2.047 201 c HN 0.819 9.011 8.230 -0.064 0.000 0.465 202 S N 5.478 121.159 115.700 -0.032 0.000 3.559 202 S HA -0.345 4.116 4.470 -0.015 0.000 0.369 202 S C 0.316 174.898 174.600 -0.030 0.000 0.987 202 S CA 1.015 59.200 58.200 -0.026 0.000 1.187 202 S CB -1.147 62.033 63.200 -0.032 0.000 0.914 202 S HN 1.116 9.412 8.310 -0.023 0.000 0.480 203 G N -5.187 103.594 108.800 -0.032 0.000 2.168 203 G HA2 -0.358 3.573 3.960 -0.049 0.000 0.257 203 G HA3 -0.358 3.585 3.960 -0.030 0.000 0.257 203 G C -0.749 174.104 174.900 -0.079 0.000 0.997 203 G CA 0.510 45.581 45.100 -0.047 0.000 0.708 203 G HN 0.314 8.583 8.290 -0.023 0.007 0.520 210 Q N 1.292 121.108 119.800 0.026 0.000 2.396 210 Q HA 0.182 4.553 4.340 0.052 0.000 0.220 210 Q C -0.179 175.976 176.000 0.258 0.000 0.900 210 Q CA 0.269 56.108 55.803 0.061 0.000 0.925 210 Q CB 2.587 31.283 28.738 -0.070 0.000 1.065 210 Q HN 0.336 8.611 8.270 0.008 0.000 0.535 211 G N -3.277 105.692 108.800 0.282 0.000 2.725 211 G HA2 0.638 5.092 3.960 0.407 0.000 0.288 211 G HA3 0.638 4.863 3.960 0.441 0.000 0.288 211 G C -3.223 171.792 174.900 0.192 0.000 1.399 211 G CA -0.844 44.467 45.100 0.351 0.000 0.859 211 G HN -0.334 8.057 8.290 0.169 0.000 0.479 212 I N -1.570 119.107 120.570 0.178 0.000 2.533 212 I HA 0.584 5.070 4.170 0.145 -0.229 0.290 212 I C -0.447 175.789 176.117 0.198 0.000 1.056 212 I CA -1.433 59.955 61.300 0.146 0.000 1.057 212 I CB 4.428 42.473 38.000 0.075 0.000 1.240 212 I HN -0.418 7.966 8.210 0.161 -0.078 0.423 213 V N 7.027 127.073 119.914 0.220 0.000 2.493 213 V HA -0.210 3.972 4.120 0.104 0.000 0.292 213 V C -1.104 174.995 176.094 0.008 0.000 1.016 213 V CA 2.108 64.491 62.300 0.139 0.000 1.097 213 V CB -0.977 30.949 31.823 0.173 0.000 0.947 213 V HN 0.354 8.657 8.190 0.189 0.000 0.479 214 S N 7.687 123.297 115.700 -0.151 0.000 3.142 214 S HA 0.312 4.942 4.470 0.267 0.000 0.223 214 S C -0.831 173.883 174.600 0.189 0.000 0.939 214 S CA 0.994 59.255 58.200 0.101 0.000 0.826 214 S CB 2.406 65.662 63.200 0.093 0.000 0.823 214 S HN 0.062 8.069 8.310 -0.506 0.000 0.612 215 W N -4.376 116.784 121.300 -0.234 0.000 2.940 215 W HA 0.269 4.845 4.660 -0.140 0.000 0.394 215 W C -2.935 173.423 176.519 -0.267 0.000 1.155 215 W CA -0.801 56.417 57.345 -0.211 0.000 1.165 215 W CB 0.662 29.995 29.460 -0.211 0.000 1.492 215 W HN -0.357 7.492 8.180 -0.552 0.000 0.593 216 G N -3.184 105.671 108.800 0.092 0.000 2.368 216 G HA2 0.141 3.842 3.960 -0.432 0.000 0.293 216 G HA3 0.141 4.040 3.960 -0.103 0.000 0.293 216 G C -2.311 172.723 174.900 0.224 0.000 1.467 216 G CA 0.251 45.311 45.100 -0.067 0.000 0.804 216 G HN -0.031 8.490 8.290 0.386 0.000 0.535 220 c N 1.907 120.544 118.600 0.062 0.000 3.370 220 c HA 0.333 5.098 4.570 0.062 -0.157 0.190 220 c C -1.454 172.667 174.090 0.052 0.000 1.647 220 c CA -1.019 55.344 56.329 0.056 0.000 1.277 220 c CB -1.374 41.161 42.510 0.042 0.000 2.037 220 c HN 0.309 8.572 8.230 0.054 0.000 0.537 221 Q N -2.051 117.783 119.800 0.057 0.000 2.939 221 Q HA 0.124 4.486 4.340 0.036 0.000 0.274 221 Q C -1.424 174.600 176.000 0.040 0.000 0.941 221 Q CA -0.936 54.893 55.803 0.043 0.000 0.824 221 Q CB 2.140 30.905 28.738 0.044 0.000 1.779 221 Q HN -0.032 8.278 8.270 0.067 0.000 0.470 222 K N 3.126 123.543 120.400 0.027 0.000 2.401 222 K HA -0.235 4.236 4.320 0.033 -0.130 0.278 222 K C 0.240 176.840 176.600 -0.001 0.000 1.018 222 K CA 0.634 56.933 56.287 0.020 0.000 0.981 222 K CB 0.015 32.523 32.500 0.014 0.000 0.933 222 K HN 0.235 8.499 8.250 0.024 0.000 0.477 223 N N 2.425 121.121 118.700 -0.007 0.000 2.713 223 N HA -0.470 4.247 4.740 -0.039 0.000 0.251 223 N C -1.598 173.842 175.510 -0.117 0.000 1.117 223 N CA 1.826 54.845 53.050 -0.051 0.000 0.770 223 N CB -0.467 37.983 38.487 -0.061 0.000 1.137 223 N HN 0.711 8.978 8.380 0.014 0.121 0.566 224 K N -2.355 118.007 120.400 -0.063 0.000 2.762 224 K HA 0.534 4.660 4.320 -0.323 0.000 0.180 224 K C -2.273 174.382 176.600 0.091 0.000 1.067 224 K CA -3.502 52.745 56.287 -0.066 0.000 0.973 224 K CB -0.315 32.202 32.500 0.029 0.000 1.290 224 K HN -0.764 7.424 8.250 -0.006 0.058 0.604 225 P HA -0.077 4.408 4.420 0.108 0.000 0.271 225 P C -0.490 176.861 177.300 0.086 0.000 1.244 225 P CA -0.334 62.837 63.100 0.118 0.000 0.793 225 P CB 1.076 32.834 31.700 0.098 0.000 0.984 226 G N -2.470 106.347 108.800 0.028 0.000 2.507 226 G HA2 0.373 4.127 3.960 -0.343 0.000 0.271 226 G HA3 0.373 4.206 3.960 -0.211 0.000 0.271 226 G C -1.835 172.751 174.900 -0.523 0.000 1.189 226 G CA -0.828 44.114 45.100 -0.264 0.000 0.859 226 G HN -0.396 7.970 8.290 0.127 0.000 0.542 227 V N 1.241 120.497 119.914 -1.096 0.000 2.555 227 V HA 0.686 4.575 4.120 -0.685 -0.180 0.302 227 V C -0.938 174.374 176.094 -1.305 0.000 1.038 227 V CA -1.101 60.517 62.300 -1.135 0.000 0.887 227 V CB 2.376 33.118 31.823 -1.803 0.000 0.991 227 V HN 0.459 7.954 8.190 -1.158 0.000 0.434 228 Y N 4.650 124.534 120.300 -0.694 0.000 2.536 228 Y HA 0.605 5.065 4.550 -0.392 -0.145 0.347 228 Y C 0.193 175.797 175.900 -0.494 0.000 1.000 228 Y CA -2.239 55.459 58.100 -0.669 0.000 1.051 228 Y CB 3.949 41.722 38.460 -1.146 0.000 1.259 228 Y HN 0.982 8.874 8.280 -0.646 0.000 0.468 229 T N 4.581 119.092 114.554 -0.070 0.000 2.851 229 T HA 0.065 4.633 4.350 0.098 -0.158 0.298 229 T C -0.742 174.090 174.700 0.221 0.000 0.977 229 T CA 1.272 63.419 62.100 0.079 0.000 1.126 229 T CB 0.576 69.477 68.868 0.055 0.000 0.916 229 T HN 0.441 8.670 8.240 -0.018 0.000 0.529 230 K N 8.166 128.778 120.400 0.353 0.000 2.171 230 K HA 0.071 4.812 4.320 0.702 0.000 0.274 230 K C 1.030 177.871 176.600 0.402 0.000 1.110 230 K CA -0.373 56.198 56.287 0.474 0.000 0.952 230 K CB -0.333 32.390 32.500 0.371 0.000 1.309 230 K HN 0.143 8.476 8.250 0.312 0.104 0.414 231 V N 6.427 126.560 119.914 0.365 0.000 2.469 231 V HA -0.517 3.886 4.120 0.471 0.000 0.251 231 V C 1.368 177.619 176.094 0.261 0.000 1.064 231 V CA 3.893 66.395 62.300 0.337 0.000 1.066 231 V CB -0.250 31.704 31.823 0.218 0.000 0.667 231 V HN 0.407 8.826 8.190 0.383 0.000 0.461 232 c N -3.500 115.191 118.600 0.151 0.000 2.401 232 c HA -0.228 4.385 4.570 0.071 0.000 0.286 232 c C 1.576 175.684 174.090 0.030 0.000 1.332 232 c CA 1.727 58.098 56.329 0.070 0.000 1.795 232 c CB -2.098 40.425 42.510 0.020 0.000 1.922 232 c HN 0.491 8.792 8.230 0.147 0.018 0.520 233 N N 0.800 119.489 118.700 -0.019 0.000 2.463 233 N HA -0.081 4.562 4.740 -0.161 0.000 0.181 233 N C 0.357 175.631 175.510 -0.393 0.000 1.078 233 N CA 1.217 54.117 53.050 -0.250 0.000 0.902 233 N CB -0.115 38.090 38.487 -0.470 0.000 0.970 233 N HN -0.458 7.908 8.380 0.060 0.050 0.451 234 Y N -4.653 115.712 120.300 0.108 0.000 2.531 234 Y HA 0.168 4.850 4.550 0.220 0.000 0.249 234 Y C 0.096 176.135 175.900 0.231 0.000 1.168 234 Y CA -0.628 57.593 58.100 0.201 0.000 1.226 234 Y CB 0.045 38.642 38.460 0.229 0.000 1.177 234 Y HN -0.070 8.141 8.280 0.192 0.184 0.527 235 V N 1.014 121.070 119.914 0.236 0.000 2.332 235 V HA -0.571 3.645 4.120 0.160 0.000 0.248 235 V C 1.437 177.604 176.094 0.122 0.000 1.055 235 V CA 5.006 67.398 62.300 0.154 0.000 1.038 235 V CB -0.578 31.295 31.823 0.083 0.000 0.651 235 V HN -0.740 7.550 8.190 0.167 0.000 0.450 236 S N -0.320 115.453 115.700 0.122 0.000 2.383 236 S HA -0.317 4.175 4.470 0.036 0.000 0.227 236 S C 1.786 176.457 174.600 0.118 0.000 1.026 236 S CA 3.082 61.334 58.200 0.086 0.000 0.981 236 S CB -0.431 62.816 63.200 0.080 0.000 0.818 236 S HN 0.140 8.520 8.310 0.118 0.000 0.472 237 W N 4.135 125.475 121.300 0.065 0.000 2.355 237 W HA -0.178 4.511 4.660 0.050 0.000 0.309 237 W C 1.675 178.211 176.519 0.029 0.000 1.206 237 W CA 2.989 60.386 57.345 0.086 0.000 1.284 237 W CB -0.010 29.592 29.460 0.236 0.000 1.145 237 W HN -0.437 7.958 8.180 0.378 0.012 0.502 238 I N -0.750 119.834 120.570 0.024 0.000 2.163 238 I HA -0.767 3.004 4.170 -0.665 0.000 0.243 238 I C 1.828 177.717 176.117 -0.380 0.000 1.085 238 I CA 4.537 65.660 61.300 -0.295 0.000 1.347 238 I CB -0.265 37.718 38.000 -0.028 0.000 1.044 238 I HN 0.444 8.865 8.210 0.351 0.000 0.408 239 K N -1.007 119.269 120.400 -0.206 0.000 2.032 239 K HA -0.433 3.742 4.320 -0.241 0.000 0.209 239 K C 2.833 179.284 176.600 -0.248 0.000 1.048 239 K CA 3.768 59.931 56.287 -0.207 0.000 0.927 239 K CB -0.371 32.066 32.500 -0.105 0.000 0.712 239 K HN -0.050 8.145 8.250 -0.091 0.000 0.441 240 Q N -2.140 117.522 119.800 -0.230 0.000 2.079 240 Q HA -0.263 3.982 4.340 -0.159 0.000 0.200 240 Q C 2.642 178.453 176.000 -0.315 0.000 0.974 240 Q CA 3.298 58.974 55.803 -0.212 0.000 0.840 240 Q CB 0.080 28.740 28.738 -0.131 0.000 0.898 240 Q HN 0.169 8.326 8.270 -0.188 0.000 0.430 241 T N 2.762 117.000 114.554 -0.526 0.000 2.746 241 T HA -0.266 3.842 4.350 -0.404 0.000 0.267 241 T C 2.273 176.652 174.700 -0.535 0.000 1.039 241 T CA 4.978 66.727 62.100 -0.584 0.000 1.142 241 T CB -0.158 68.099 68.868 -1.017 0.000 0.866 241 T HN 0.071 7.928 8.240 -0.638 0.000 0.444 242 I N 0.905 121.053 120.570 -0.703 0.000 2.252 242 I HA -0.430 3.017 4.170 -1.206 0.000 0.245 242 I C 1.770 177.671 176.117 -0.360 0.000 1.102 242 I CA 3.730 64.518 61.300 -0.853 0.000 1.385 242 I CB -0.407 36.996 38.000 -0.995 0.000 1.064 242 I HN 0.010 7.803 8.210 -0.696 0.000 0.414 243 A N -0.626 122.031 122.820 -0.273 0.000 2.019 243 A HA -0.198 4.063 4.320 -0.099 0.000 0.219 243 A C 1.218 178.753 177.584 -0.082 0.000 1.164 243 A CA 2.715 54.670 52.037 -0.135 0.000 0.644 243 A CB -0.494 18.435 19.000 -0.118 0.000 0.805 243 A HN -0.086 7.872 8.150 -0.320 0.000 0.449 244 S N -4.549 111.090 115.700 -0.102 0.000 2.557 244 S HA 0.099 4.555 4.470 -0.023 0.000 0.223 244 S C -0.926 173.680 174.600 0.010 0.000 0.969 244 S CA 0.570 58.745 58.200 -0.043 0.000 0.927 244 S CB 1.119 64.284 63.200 -0.057 0.000 0.806 244 S HN -0.371 7.700 8.310 -0.170 0.137 0.489 245 N N 0.000 118.735 118.700 0.058 0.000 1.763 245 N HA 0.000 4.817 4.740 0.128 0.000 0.220 245 N CA 0.000 53.165 53.050 0.192 0.000 0.885 245 N CB 0.000 38.680 38.487 0.321 0.000 1.341 245 N HN 0.000 8.222 8.380 0.017 0.168 0.667