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 1c1s_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV 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 4.172 4.170 0.003 0.000 0.288 16 I C 0.000 176.095 176.117 -0.036 0.000 1.063 16 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 16 I CB 0.000 37.950 38.000 -0.084 0.000 1.214 17 V N 4.956 124.862 119.914 -0.013 0.000 2.417 17 V HA 0.269 4.503 4.120 -0.030 -0.131 0.291 17 V C 0.385 176.473 176.094 -0.010 0.000 1.024 17 V CA -1.685 60.606 62.300 -0.015 0.000 0.861 17 V CB 1.250 33.072 31.823 -0.001 0.000 0.985 17 V HN 0.673 8.869 8.190 0.010 0.000 0.436 18 G N 6.807 115.596 108.800 -0.019 0.000 2.147 18 G HA2 -0.385 3.564 3.960 -0.018 0.000 0.244 18 G HA3 -0.385 3.693 3.960 -0.030 -0.136 0.244 18 G C -0.644 174.252 174.900 -0.005 0.000 1.005 18 G CA 0.416 45.505 45.100 -0.019 0.000 0.713 18 G HN 0.741 9.018 8.290 -0.022 0.000 0.515 19 G N -1.228 107.559 108.800 -0.021 0.000 2.671 19 G HA2 0.533 4.479 3.960 0.021 0.000 0.275 19 G HA3 0.533 4.510 3.960 -0.160 -0.113 0.275 19 G C -1.722 173.182 174.900 0.007 0.000 1.368 19 G CA -1.115 43.954 45.100 -0.052 0.000 1.044 19 G HN -0.686 7.551 8.290 -0.037 0.030 0.543 20 Y N -5.913 114.366 120.300 -0.036 0.000 2.665 20 Y HA 0.431 4.961 4.550 -0.033 0.000 0.336 20 Y C -1.468 174.403 175.900 -0.047 0.000 1.085 20 Y CA -2.926 55.152 58.100 -0.036 0.000 1.096 20 Y CB 1.172 39.614 38.460 -0.030 0.000 1.301 20 Y HN 0.364 8.069 8.280 -0.788 0.103 0.493 21 T N 2.839 117.473 114.554 0.132 0.000 2.779 21 T HA -0.068 4.392 4.350 -0.075 -0.155 0.296 21 T C 0.227 174.998 174.700 0.117 0.000 0.938 21 T CA 1.399 63.519 62.100 0.033 0.000 1.119 21 T CB 0.215 69.112 68.868 0.049 0.000 0.891 21 T HN 0.205 8.566 8.240 0.202 0.000 0.526 22 c N 6.384 124.962 118.600 -0.036 0.000 2.413 22 c HA -0.117 4.554 4.570 0.168 0.000 0.277 22 c C 0.405 174.537 174.090 0.070 0.000 1.228 22 c CA 0.563 56.906 56.329 0.025 0.000 1.731 22 c CB -0.365 42.070 42.510 -0.125 0.000 2.042 22 c HN 0.432 8.573 8.230 -0.148 0.000 0.468 23 G N -2.374 106.438 108.800 0.021 0.000 2.528 23 G HA2 -0.162 3.816 3.960 0.029 0.000 0.681 23 G HA3 -0.162 3.817 3.960 0.032 0.000 0.681 23 G C -1.972 172.932 174.900 0.006 0.000 1.340 23 G CA -0.994 44.121 45.100 0.024 0.000 0.855 23 G HN -0.340 7.943 8.290 -0.012 0.000 0.649 24 A N 2.601 125.431 122.820 0.017 0.000 2.546 24 A HA -0.175 4.384 4.320 0.028 -0.222 0.243 24 A C -0.093 177.497 177.584 0.010 0.000 1.063 24 A CA 1.077 53.127 52.037 0.022 0.000 0.757 24 A CB 0.119 19.137 19.000 0.030 0.000 0.991 24 A HN 0.252 8.415 8.150 0.022 0.000 0.503 25 N N -2.130 116.574 118.700 0.007 0.000 2.716 25 N HA -0.369 4.363 4.740 -0.014 0.000 0.250 25 N C 0.546 176.040 175.510 -0.027 0.000 1.033 25 N CA 1.549 54.594 53.050 -0.008 0.000 0.727 25 N CB -1.470 37.022 38.487 0.009 0.000 0.950 25 N HN 0.435 8.828 8.380 0.021 0.000 0.541 26 T N -5.024 109.504 114.554 -0.042 0.000 3.065 26 T HA -0.036 4.306 4.350 -0.012 0.000 0.252 26 T C -0.561 174.088 174.700 -0.084 0.000 1.099 26 T CA 0.917 62.998 62.100 -0.033 0.000 1.063 26 T CB 0.971 69.836 68.868 -0.005 0.000 0.948 26 T HN -0.512 7.681 8.240 -0.048 0.018 0.506 27 V N 2.893 122.697 119.914 -0.183 0.000 2.271 27 V HA 0.415 4.277 4.120 -0.430 0.000 0.259 27 V C -1.742 174.046 176.094 -0.509 0.000 1.030 27 V CA -3.273 58.764 62.300 -0.438 0.000 0.957 27 V CB 0.819 32.363 31.823 -0.465 0.000 1.186 27 V HN -0.270 7.779 8.190 -0.156 0.047 0.471 28 P HA 0.089 4.545 4.420 -0.089 -0.090 0.229 28 P C 0.053 177.304 177.300 -0.080 0.000 1.160 28 P CA 1.472 64.499 63.100 -0.121 0.000 0.777 28 P CB 0.126 31.827 31.700 0.002 0.000 0.814 29 Y N -6.470 113.858 120.300 0.046 0.000 2.466 29 Y HA 0.497 5.237 4.550 0.058 -0.155 0.272 29 Y C -0.694 175.246 175.900 0.067 0.000 1.169 29 Y CA -3.623 54.510 58.100 0.054 0.000 1.285 29 Y CB -1.308 37.179 38.460 0.046 0.000 1.078 29 Y HN -0.389 7.352 8.280 -0.801 0.058 0.523 30 Q N 2.061 121.745 119.800 -0.193 0.000 2.288 30 Q HA 0.383 4.934 4.340 0.112 -0.143 0.254 30 Q C -0.740 175.345 176.000 0.142 0.000 0.932 30 Q CA -0.060 55.737 55.803 -0.010 0.000 0.902 30 Q CB 1.244 29.880 28.738 -0.170 0.000 1.203 30 Q HN -0.711 7.226 8.270 -0.447 0.065 0.415 31 V N 5.469 125.506 119.914 0.204 0.000 3.074 31 V HA 0.464 4.809 4.120 0.193 -0.109 0.314 31 V C -1.540 174.704 176.094 0.250 0.000 1.117 31 V CA -1.681 60.734 62.300 0.193 0.000 1.014 31 V CB 4.351 36.243 31.823 0.115 0.000 1.057 31 V HN 0.496 8.805 8.190 0.198 0.000 0.438 32 S N 1.145 116.895 115.700 0.083 0.000 2.519 32 S HA 0.454 5.136 4.470 0.162 -0.115 0.309 32 S C -1.289 173.200 174.600 -0.185 0.000 1.100 32 S CA -1.607 56.576 58.200 -0.029 0.000 1.059 32 S CB 1.508 64.480 63.200 -0.380 0.000 1.008 32 S HN 0.092 8.418 8.310 0.028 0.000 0.478 33 L N 7.535 128.527 121.223 -0.386 0.000 2.275 33 L HA 0.584 4.865 4.340 -0.320 -0.133 0.288 33 L C -1.537 174.920 176.870 -0.688 0.000 1.046 33 L CA -0.865 53.635 54.840 -0.568 0.000 0.805 33 L CB 1.110 42.636 42.059 -0.889 0.000 1.193 33 L HN 0.817 8.780 8.230 -0.444 0.000 0.426 38 G N 0.516 109.107 108.800 -0.347 0.000 2.213 38 G HA2 -0.287 3.619 3.960 -0.091 0.000 0.226 38 G HA3 -0.287 3.661 3.960 -0.020 0.000 0.226 38 G C -1.563 173.336 174.900 -0.002 0.000 0.992 38 G CA 0.329 45.350 45.100 -0.130 0.000 0.632 38 G HN 0.289 8.671 8.290 -0.289 -0.265 0.511 39 Y N -8.248 112.033 120.300 -0.031 0.000 2.677 39 Y HA 0.171 4.684 4.550 -0.061 0.000 0.334 39 Y C -2.954 172.955 175.900 0.014 0.000 1.196 39 Y CA -3.573 54.510 58.100 -0.029 0.000 1.059 39 Y CB 0.983 39.426 38.460 -0.030 0.000 1.315 39 Y HN -1.091 6.777 8.280 -0.698 -0.007 0.455 40 H N 2.577 121.647 119.070 -0.000 0.000 2.767 40 H HA 0.205 4.777 4.556 -0.255 -0.169 0.316 40 H C -0.731 174.643 175.328 0.077 0.000 1.059 40 H CA 0.122 56.098 56.048 -0.120 0.000 1.461 40 H CB 0.470 30.109 29.762 -0.205 0.000 1.475 40 H HN 0.177 8.573 8.280 0.193 0.000 0.531 41 F N 2.489 122.090 119.950 -0.581 0.000 2.819 41 F HA 0.314 4.758 4.527 -0.138 0.000 0.325 41 F C -1.556 173.980 175.800 -0.440 0.000 1.041 41 F CA -0.683 57.115 58.000 -0.337 0.000 1.184 41 F CB 1.578 40.506 39.000 -0.121 0.000 1.019 41 F HN 0.196 7.896 8.300 -0.998 0.000 0.590 42 c N -1.616 116.260 118.600 -1.207 0.000 3.321 42 c HA 0.375 4.790 4.570 -0.259 0.000 0.329 42 c C -1.674 172.186 174.090 -0.384 0.000 1.394 42 c CA -0.269 55.710 56.329 -0.584 0.000 1.291 42 c CB 3.991 46.253 42.510 -0.413 0.000 1.606 42 c HN -0.811 6.412 8.230 -1.679 0.000 0.463 43 G N -0.926 107.852 108.800 -0.037 0.000 0.000 43 G HA2 0.818 5.078 3.960 0.221 0.000 0.000 43 G HA3 0.818 4.912 3.960 0.222 0.000 0.000 43 G C -2.527 172.399 174.900 0.044 0.000 0.000 43 G CA -1.672 43.511 45.100 0.139 0.000 0.000 43 G HN 0.819 9.097 8.290 -0.020 0.000 0.000 44 G N -4.005 104.858 108.800 0.105 0.000 2.495 44 G HA2 0.508 4.799 3.960 0.085 0.000 0.294 44 G HA3 0.508 4.505 3.960 0.062 0.000 0.294 44 G C -2.964 172.025 174.900 0.148 0.000 1.397 44 G CA 0.311 45.468 45.100 0.093 0.000 0.790 44 G HN -0.553 7.836 8.290 0.166 0.000 0.486 45 S N -0.489 115.303 115.700 0.153 0.000 2.532 45 S HA 0.907 5.769 4.470 0.273 -0.227 0.299 45 S C -1.239 173.465 174.600 0.173 0.000 1.105 45 S CA -0.959 57.365 58.200 0.206 0.000 1.018 45 S CB 3.722 67.032 63.200 0.183 0.000 1.021 45 S HN 0.177 8.564 8.310 0.128 0.000 0.483 46 L N 5.976 127.316 121.223 0.195 0.000 2.319 46 L HA 0.185 4.719 4.340 0.140 -0.110 0.280 46 L C -0.607 176.346 176.870 0.139 0.000 1.099 46 L CA -0.141 54.792 54.840 0.155 0.000 0.828 46 L CB 1.200 43.347 42.059 0.147 0.000 1.150 46 L HN 0.537 8.809 8.230 0.254 0.111 0.442 47 I N -0.281 120.368 120.570 0.132 0.000 3.941 47 I HA 0.402 4.757 4.170 0.071 -0.142 0.321 47 I C -0.869 175.307 176.117 0.098 0.000 1.284 47 I CA -0.455 60.904 61.300 0.099 0.000 1.226 47 I CB 0.565 38.617 38.000 0.088 0.000 1.045 47 I HN 0.439 8.743 8.210 0.157 0.000 0.420 48 N N -3.023 115.753 118.700 0.127 0.000 3.501 48 N HA 0.073 4.866 4.740 0.089 0.000 0.235 48 N C -0.557 175.023 175.510 0.116 0.000 1.442 48 N CA -0.266 52.854 53.050 0.116 0.000 0.872 48 N CB 0.884 39.447 38.487 0.127 0.000 1.414 48 N HN -0.995 7.471 8.380 0.143 0.000 0.485 49 S N -1.802 113.951 115.700 0.089 0.000 2.423 49 S HA -0.389 4.112 4.470 0.052 0.000 0.238 49 S C 0.898 175.517 174.600 0.032 0.000 1.028 49 S CA 2.718 60.953 58.200 0.058 0.000 1.000 49 S CB 0.063 63.290 63.200 0.045 0.000 0.797 49 S HN 0.461 8.821 8.310 0.083 0.000 0.487 50 Q N -2.776 117.052 119.800 0.048 0.000 2.245 50 Q HA 0.259 4.515 4.340 -0.140 0.000 0.236 50 Q C -0.906 174.905 176.000 -0.315 0.000 0.842 50 Q CA 0.034 55.766 55.803 -0.117 0.000 0.945 50 Q CB 1.433 30.106 28.738 -0.109 0.000 1.122 50 Q HN 0.015 8.318 8.270 0.128 0.044 0.506 51 W N -1.833 119.470 121.300 0.004 0.000 2.736 51 W HA 0.639 5.489 4.660 0.000 -0.190 0.335 51 W C -1.246 175.282 176.519 0.016 0.000 1.059 51 W CA -0.873 56.472 57.345 0.001 0.000 1.226 51 W CB 3.531 32.978 29.460 -0.021 0.000 1.416 51 W HN -0.647 7.674 8.180 0.236 0.000 0.505 52 V N 1.631 121.692 119.914 0.246 0.000 2.735 52 V HA 0.800 5.195 4.120 0.162 -0.177 0.310 52 V C -1.487 174.717 176.094 0.184 0.000 1.061 52 V CA -1.826 60.575 62.300 0.169 0.000 0.913 52 V CB 4.003 35.883 31.823 0.095 0.000 1.005 52 V HN 0.552 8.903 8.190 0.269 0.000 0.428 53 V N 1.626 121.628 119.914 0.147 0.000 2.667 53 V HA 1.028 5.407 4.120 0.157 -0.165 0.308 53 V C -1.617 174.539 176.094 0.103 0.000 1.048 53 V CA -2.935 59.447 62.300 0.135 0.000 0.928 53 V CB 2.597 34.493 31.823 0.121 0.000 1.004 53 V HN 0.253 8.525 8.190 0.136 0.000 0.444 54 S N 3.038 118.788 115.700 0.084 0.000 2.843 54 S HA 0.533 5.232 4.470 0.047 -0.200 0.301 54 S C -1.877 172.726 174.600 0.006 0.000 1.206 54 S CA -2.148 56.075 58.200 0.040 0.000 0.875 54 S CB 2.230 65.441 63.200 0.019 0.000 1.248 54 S HN 0.518 8.887 8.310 0.098 0.000 0.555 55 A N -0.572 122.214 122.820 -0.056 0.000 2.304 55 A HA 0.476 4.913 4.320 -0.073 -0.160 0.301 55 A C 0.494 177.978 177.584 -0.167 0.000 1.132 55 A CA -1.393 50.575 52.037 -0.114 0.000 0.819 55 A CB 1.306 20.190 19.000 -0.195 0.000 1.094 55 A HN 0.374 8.480 8.150 -0.073 0.000 0.492 56 A N 3.463 126.124 122.820 -0.264 0.000 2.015 56 A HA -0.171 4.022 4.320 -0.212 0.000 0.219 56 A C 1.537 178.923 177.584 -0.330 0.000 1.163 56 A CA 2.894 54.673 52.037 -0.430 0.000 0.646 56 A CB -0.273 18.139 19.000 -0.981 0.000 0.806 56 A HN 0.596 8.634 8.150 -0.255 -0.041 0.448 57 H N -4.806 114.125 119.070 -0.232 0.000 2.563 57 H HA -0.064 4.536 4.556 0.073 0.000 0.272 57 H C -0.042 175.341 175.328 0.092 0.000 1.005 57 H CA 1.385 57.447 56.048 0.024 0.000 1.171 57 H CB -1.336 28.505 29.762 0.130 0.000 1.351 57 H HN 0.145 8.659 8.280 -0.149 -0.323 0.602 58 c N -1.676 116.851 118.600 -0.123 0.000 2.791 58 c HA 0.051 4.680 4.570 0.099 0.000 0.270 58 c C 0.339 174.516 174.090 0.145 0.000 1.257 58 c CA -0.092 56.257 56.329 0.033 0.000 1.699 58 c CB -1.410 41.096 42.510 -0.008 0.000 1.904 58 c HN -0.376 7.549 8.230 -0.175 0.199 0.603 59 Y N 3.063 123.366 120.300 0.005 0.000 2.811 59 Y HA -0.273 4.298 4.550 0.036 0.000 0.334 59 Y C -0.796 175.083 175.900 -0.035 0.000 1.247 59 Y CA 2.086 60.191 58.100 0.008 0.000 1.526 59 Y CB 0.505 38.960 38.460 -0.008 0.000 1.284 59 Y HN -0.335 7.851 8.280 0.154 0.186 0.586 60 K N 6.762 126.583 120.400 -0.966 0.000 2.579 60 K HA 0.179 3.949 4.320 -0.916 0.000 0.284 60 K C -2.287 173.817 176.600 -0.827 0.000 0.990 60 K CA -1.535 54.215 56.287 -0.894 0.000 0.880 60 K CB 3.782 35.883 32.500 -0.666 0.000 1.488 60 K HN 0.021 7.802 8.250 -0.782 0.000 0.425 61 S N 0.270 115.642 115.700 -0.546 0.000 2.565 61 S HA 0.198 4.536 4.470 -0.220 0.000 0.290 61 S C 1.047 175.527 174.600 -0.199 0.000 1.150 61 S CA -0.524 57.513 58.200 -0.271 0.000 1.058 61 S CB 0.476 63.593 63.200 -0.137 0.000 1.032 61 S HN 0.016 8.038 8.310 -0.481 0.000 0.510 62 G N 1.874 110.601 108.800 -0.123 0.000 2.470 62 G HA2 -0.398 3.516 3.960 -0.076 0.000 0.286 62 G HA3 -0.398 3.493 3.960 -0.114 0.000 0.286 62 G C -1.807 173.029 174.900 -0.107 0.000 1.115 62 G CA -0.090 44.947 45.100 -0.105 0.000 1.122 62 G HN 0.378 8.614 8.290 -0.089 0.000 0.522 63 I N -1.002 119.528 120.570 -0.068 0.000 2.460 63 I HA 0.159 4.335 4.170 0.009 0.000 0.298 63 I C -2.092 174.000 176.117 -0.042 0.000 0.989 63 I CA -1.498 59.793 61.300 -0.015 0.000 1.173 63 I CB 2.347 40.370 38.000 0.038 0.000 1.338 63 I HN -0.519 7.654 8.210 -0.061 0.000 0.456 64 Q N 5.645 125.407 119.800 -0.062 0.000 2.330 64 Q HA 0.491 4.905 4.340 -0.059 -0.109 0.269 64 Q C -1.707 174.228 176.000 -0.108 0.000 1.022 64 Q CA -1.376 54.375 55.803 -0.086 0.000 0.796 64 Q CB 3.766 32.427 28.738 -0.129 0.000 1.271 64 Q HN 0.169 8.406 8.270 -0.055 0.000 0.450 65 V N 7.587 127.459 119.914 -0.070 0.000 2.439 65 V HA 0.314 4.510 4.120 -0.099 -0.135 0.282 65 V C -1.212 174.867 176.094 -0.024 0.000 1.039 65 V CA -0.183 62.081 62.300 -0.059 0.000 0.913 65 V CB 0.947 32.754 31.823 -0.026 0.000 0.983 65 V HN 1.130 9.189 8.190 -0.042 0.106 0.460 66 R N 6.402 126.871 120.500 -0.051 0.000 2.393 66 R HA 0.740 5.435 4.340 0.267 -0.194 0.315 66 R C -1.018 175.342 176.300 0.100 0.000 0.952 66 R CA -1.289 54.843 56.100 0.054 0.000 0.842 66 R CB 1.711 31.889 30.300 -0.204 0.000 1.163 66 R HN 0.751 8.965 8.270 -0.094 0.000 0.450 70 E N -0.476 119.823 120.200 0.166 0.000 2.277 70 E HA 0.211 4.649 4.350 0.147 0.000 0.274 70 E C -1.687 175.107 176.600 0.323 0.000 1.022 70 E CA 0.079 56.598 56.400 0.198 0.000 0.853 70 E CB 1.566 31.319 29.700 0.089 0.000 1.086 70 E HN -0.605 7.835 8.360 0.184 0.031 0.397 71 D N 1.530 122.099 120.400 0.281 0.000 3.001 71 D HA 0.067 4.929 4.640 0.370 0.000 0.183 71 D C -1.197 175.311 176.300 0.347 0.000 1.502 71 D CA 1.296 55.477 54.000 0.301 0.000 1.490 71 D CB 2.491 43.376 40.800 0.142 0.000 1.274 71 D HN 0.175 8.656 8.370 0.185 0.000 0.269 72 N N 1.213 120.023 118.700 0.185 0.000 2.437 72 N HA 0.352 5.374 4.740 0.204 -0.159 0.243 72 N C 1.974 177.498 175.510 0.024 0.000 1.041 72 N CA -1.332 51.799 53.050 0.135 0.000 0.940 72 N CB 0.490 39.026 38.487 0.082 0.000 1.133 72 N HN -0.796 7.996 8.380 0.132 -0.333 0.506 73 I N 0.606 121.101 120.570 -0.125 0.000 3.241 73 I HA -0.018 4.216 4.170 -0.272 -0.227 0.280 73 I C -0.566 175.451 176.117 -0.166 0.000 1.320 73 I CA 1.419 62.532 61.300 -0.311 0.000 1.413 73 I CB -1.183 36.388 38.000 -0.716 0.000 1.060 73 I HN 0.403 8.560 8.210 -0.089 0.000 0.500 74 N N -1.935 116.721 118.700 -0.074 0.000 2.250 74 N HA 0.150 4.861 4.740 -0.050 0.000 0.190 74 N C -0.584 174.925 175.510 -0.001 0.000 1.116 74 N CA 0.802 53.831 53.050 -0.034 0.000 0.881 74 N CB 2.040 40.521 38.487 -0.010 0.000 1.006 74 N HN -0.208 8.378 8.380 -0.044 -0.233 0.491 75 V N 0.655 120.577 119.914 0.013 0.000 2.487 75 V HA 0.054 4.190 4.120 0.028 0.000 0.298 75 V C -1.414 174.708 176.094 0.046 0.000 1.028 75 V CA -1.078 61.240 62.300 0.030 0.000 0.860 75 V CB 2.438 34.279 31.823 0.030 0.000 0.991 75 V HN -0.728 7.553 8.190 0.010 -0.085 0.427 76 V N 7.710 127.656 119.914 0.053 0.000 2.470 76 V HA -0.238 4.078 4.120 0.087 -0.143 0.276 76 V C 0.225 176.335 176.094 0.026 0.000 1.040 76 V CA 0.976 63.311 62.300 0.058 0.000 1.008 76 V CB 0.044 31.898 31.823 0.051 0.000 0.990 76 V HN 0.268 8.485 8.190 0.046 0.000 0.477 77 E N 8.774 128.988 120.200 0.024 0.000 2.481 77 E HA 0.074 4.433 4.350 0.014 0.000 0.198 77 E C 0.333 176.931 176.600 -0.002 0.000 1.027 77 E CA -0.082 56.327 56.400 0.015 0.000 0.900 77 E CB 0.439 30.155 29.700 0.028 0.000 0.993 77 E HN 0.594 9.448 8.360 0.035 -0.474 0.482 78 G N -0.889 107.898 108.800 -0.022 0.000 2.307 78 G HA2 -0.352 3.574 3.960 -0.056 0.000 0.210 78 G HA3 -0.352 3.592 3.960 -0.027 0.000 0.210 78 G C -0.082 174.787 174.900 -0.050 0.000 1.005 78 G CA 0.409 45.485 45.100 -0.040 0.000 0.634 78 G HN 0.123 8.554 8.290 -0.025 -0.156 0.496 79 N N 0.909 119.590 118.700 -0.031 0.000 2.295 79 N HA 0.055 4.772 4.740 -0.038 0.000 0.221 79 N C -1.714 173.770 175.510 -0.042 0.000 1.129 79 N CA -0.440 52.592 53.050 -0.029 0.000 0.836 79 N CB 0.464 38.951 38.487 -0.001 0.000 1.040 79 N HN 0.315 8.688 8.380 -0.012 0.000 0.494 80 E N -0.573 119.569 120.200 -0.097 0.000 2.248 80 E HA 0.459 5.021 4.350 -0.014 -0.221 0.272 80 E C -0.296 176.133 176.600 -0.285 0.000 1.008 80 E CA -0.831 55.487 56.400 -0.137 0.000 0.856 80 E CB 1.248 30.849 29.700 -0.164 0.000 1.120 80 E HN -0.522 7.687 8.360 -0.121 0.078 0.397 81 Q N 0.489 120.195 119.800 -0.158 0.000 2.285 81 Q HA 0.329 4.502 4.340 -0.279 0.000 0.269 81 Q C -1.419 174.660 176.000 0.133 0.000 1.030 81 Q CA -1.206 54.516 55.803 -0.134 0.000 0.788 81 Q CB 3.390 32.112 28.738 -0.027 0.000 1.266 81 Q HN 0.412 8.698 8.270 0.027 0.000 0.438 82 F N 2.779 122.708 119.950 -0.034 0.000 2.427 82 F HA 0.916 5.615 4.527 -0.050 -0.201 0.348 82 F C 0.113 175.887 175.800 -0.042 0.000 1.125 82 F CA -1.719 56.255 58.000 -0.044 0.000 0.989 82 F CB 2.089 41.061 39.000 -0.046 0.000 1.165 82 F HN 0.234 8.479 8.300 -0.092 0.000 0.442 83 I N 2.691 123.341 120.570 0.133 0.000 2.582 83 I HA 0.307 4.503 4.170 0.043 0.000 0.292 83 I C -1.718 174.403 176.117 0.007 0.000 1.066 83 I CA -1.395 59.932 61.300 0.045 0.000 1.053 83 I CB 4.532 42.542 38.000 0.017 0.000 1.241 83 I HN 0.876 9.159 8.210 0.121 0.000 0.421 84 S N 5.662 121.355 115.700 -0.011 0.000 2.632 84 S HA 0.229 4.791 4.470 -0.035 -0.113 0.271 84 S C -0.658 173.911 174.600 -0.052 0.000 1.260 84 S CA 0.572 58.753 58.200 -0.032 0.000 1.010 84 S CB 1.298 64.480 63.200 -0.029 0.000 0.965 84 S HN 0.326 8.632 8.310 -0.007 0.000 0.534 85 A N 2.200 124.987 122.820 -0.055 0.000 2.327 85 A HA 0.496 4.912 4.320 -0.103 -0.159 0.283 85 A C -0.122 177.420 177.584 -0.071 0.000 1.127 85 A CA -0.938 51.055 52.037 -0.073 0.000 0.810 85 A CB 0.758 19.730 19.000 -0.047 0.000 1.066 85 A HN -0.196 7.926 8.150 -0.046 0.000 0.492 86 S N 2.368 118.007 115.700 -0.101 0.000 2.483 86 S HA 0.078 4.516 4.470 -0.053 0.000 0.221 86 S C 0.388 174.956 174.600 -0.054 0.000 1.030 86 S CA 1.273 59.426 58.200 -0.078 0.000 0.925 86 S CB 1.209 64.347 63.200 -0.102 0.000 0.795 86 S HN 0.665 8.775 8.310 -0.152 0.109 0.511 87 K N 0.768 121.127 120.400 -0.069 0.000 2.568 87 K HA 0.229 4.569 4.320 0.032 0.000 0.273 87 K C -2.443 174.179 176.600 0.036 0.000 0.951 87 K CA 0.317 56.604 56.287 0.001 0.000 0.854 87 K CB 2.972 35.482 32.500 0.016 0.000 1.424 87 K HN -0.843 7.330 8.250 -0.128 0.000 0.427 88 S N 2.499 118.270 115.700 0.118 0.000 2.521 88 S HA 0.856 5.602 4.470 0.172 -0.173 0.295 88 S C -0.964 173.748 174.600 0.187 0.000 1.098 88 S CA -0.641 57.668 58.200 0.182 0.000 0.999 88 S CB 2.403 65.768 63.200 0.275 0.000 1.034 88 S HN 0.135 8.520 8.310 0.125 0.000 0.483 89 I N 6.599 127.301 120.570 0.220 0.000 2.439 89 I HA 0.263 4.527 4.170 0.157 0.000 0.285 89 I C -2.137 174.127 176.117 0.245 0.000 1.021 89 I CA -0.736 60.696 61.300 0.220 0.000 1.091 89 I CB 2.527 40.680 38.000 0.255 0.000 1.242 89 I HN 0.975 9.335 8.210 0.251 0.000 0.439 90 V N 7.128 127.121 119.914 0.131 0.000 2.567 90 V HA -0.046 4.133 4.120 0.099 0.000 0.289 90 V C -0.511 175.647 176.094 0.106 0.000 1.049 90 V CA -1.137 61.206 62.300 0.072 0.000 0.969 90 V CB 1.223 33.000 31.823 -0.078 0.000 0.995 90 V HN 0.302 8.527 8.190 0.060 0.000 0.471 91 H N 8.231 127.241 119.070 -0.100 0.000 3.094 91 H HA -0.102 4.000 4.556 -0.757 0.000 0.320 91 H C 0.054 175.271 175.328 -0.185 0.000 1.000 91 H CA 0.540 56.318 56.048 -0.450 0.000 1.413 91 H CB 1.668 31.054 29.762 -0.627 0.000 1.405 91 H HN -0.137 8.171 8.280 0.046 0.000 0.586 92 P HA -0.138 4.230 4.420 -0.086 0.000 0.218 92 P C -0.314 176.961 177.300 -0.042 0.000 1.146 92 P CA 1.762 64.740 63.100 -0.204 0.000 0.813 92 P CB 0.277 31.832 31.700 -0.241 0.000 0.778 93 S N -2.933 112.833 115.700 0.109 0.000 2.575 93 S HA 0.045 4.555 4.470 0.066 0.000 0.237 93 S C -1.054 173.648 174.600 0.170 0.000 0.975 93 S CA -0.260 58.037 58.200 0.161 0.000 0.960 93 S CB 0.840 64.145 63.200 0.175 0.000 0.822 93 S HN -0.542 7.831 8.310 0.181 0.045 0.472 94 Y N 3.891 124.235 120.300 0.074 0.000 2.526 94 Y HA -0.292 4.431 4.550 -0.018 -0.184 0.330 94 Y C -0.802 175.093 175.900 -0.008 0.000 1.156 94 Y CA 0.908 59.013 58.100 0.008 0.000 1.419 94 Y CB 0.814 39.275 38.460 0.003 0.000 1.250 94 Y HN -0.646 7.642 8.280 0.292 0.167 0.540 95 N N 7.530 125.831 118.700 -0.664 0.000 2.518 95 N HA 0.229 4.685 4.740 -0.474 0.000 0.254 95 N C -0.301 174.633 175.510 -0.960 0.000 0.979 95 N CA -1.082 51.604 53.050 -0.607 0.000 0.930 95 N CB 1.523 39.833 38.487 -0.294 0.000 1.152 95 N HN -0.210 7.878 8.380 -0.486 0.000 0.505 96 S N 6.280 121.441 115.700 -0.898 0.000 2.555 96 S HA -0.060 4.027 4.470 -0.638 0.000 0.230 96 S C 0.719 175.145 174.600 -0.291 0.000 0.978 96 S CA 2.062 59.930 58.200 -0.553 0.000 0.934 96 S CB -0.211 62.866 63.200 -0.207 0.000 0.766 96 S HN 0.730 8.636 8.310 -0.673 0.000 0.533 97 N N 1.449 119.974 118.700 -0.292 0.000 2.368 97 N HA 0.011 4.633 4.740 -0.196 0.000 0.178 97 N C 1.337 176.688 175.510 -0.265 0.000 1.021 97 N CA 2.172 55.088 53.050 -0.224 0.000 0.875 97 N CB 1.052 39.434 38.487 -0.175 0.000 1.020 97 N HN -0.052 8.320 8.380 -0.334 -0.192 0.433 98 T N -3.873 110.520 114.554 -0.268 0.000 3.037 98 T HA 0.029 4.180 4.350 -0.332 0.000 0.251 98 T C 0.366 174.870 174.700 -0.326 0.000 1.079 98 T CA 0.304 62.234 62.100 -0.282 0.000 1.067 98 T CB 1.671 70.432 68.868 -0.177 0.000 0.948 98 T HN -0.399 7.977 8.240 -0.263 -0.294 0.496 99 L N -3.160 117.912 121.223 -0.250 0.000 3.938 99 L HA -0.459 4.003 4.340 0.018 -0.112 0.405 99 L C -1.842 175.076 176.870 0.079 0.000 1.202 99 L CA 0.227 55.028 54.840 -0.064 0.000 0.920 99 L CB -2.436 39.532 42.059 -0.152 0.000 2.054 99 L HN -0.310 7.704 8.230 -0.290 0.042 0.815 100 N N -0.738 117.959 118.700 -0.005 0.000 2.520 100 N HA -0.103 4.703 4.740 0.110 0.000 0.273 100 N C -0.187 175.385 175.510 0.103 0.000 1.155 100 N CA 0.519 53.604 53.050 0.058 0.000 0.967 100 N CB 1.237 39.728 38.487 0.006 0.000 1.092 100 N HN -0.803 7.477 8.380 -0.113 0.031 0.457 101 N N -0.730 118.029 118.700 0.099 0.000 2.783 101 N HA -0.464 4.224 4.740 -0.086 0.000 0.247 101 N C -1.361 174.143 175.510 -0.010 0.000 1.089 101 N CA 1.306 54.324 53.050 -0.054 0.000 0.690 101 N CB -1.476 36.920 38.487 -0.151 0.000 0.991 101 N HN 0.623 9.080 8.380 0.129 0.000 0.552 102 D N -0.763 119.676 120.400 0.064 0.000 2.600 102 D HA 0.006 4.652 4.640 0.011 0.000 0.226 102 D C -1.973 174.242 176.300 -0.141 0.000 1.119 102 D CA -0.026 54.000 54.000 0.043 0.000 1.051 102 D CB -0.880 40.047 40.800 0.210 0.000 1.106 102 D HN -0.085 8.339 8.370 0.089 0.000 0.491 103 I N 1.352 121.774 120.570 -0.247 0.000 2.827 103 I HA 0.723 4.997 4.170 -0.103 -0.166 0.298 103 I C -3.060 173.036 176.117 -0.035 0.000 1.235 103 I CA -1.610 59.587 61.300 -0.170 0.000 1.021 103 I CB 3.828 41.625 38.000 -0.340 0.000 1.259 103 I HN -0.051 7.959 8.210 -0.269 0.038 0.427 104 M N 3.761 123.416 119.600 0.091 0.000 2.569 104 M HA 0.793 5.591 4.480 0.333 -0.119 0.279 104 M C -2.782 173.661 176.300 0.238 0.000 1.253 104 M CA -0.965 54.457 55.300 0.203 0.000 0.867 104 M CB 4.664 37.327 32.600 0.105 0.000 1.727 104 M HN 0.545 8.878 8.290 0.073 0.000 0.467 105 L N -0.399 120.991 121.223 0.279 0.000 2.346 105 L HA 0.946 5.628 4.340 0.255 -0.189 0.274 105 L C -1.249 175.812 176.870 0.319 0.000 1.007 105 L CA -1.523 53.490 54.840 0.289 0.000 0.818 105 L CB 3.724 45.918 42.059 0.226 0.000 1.284 105 L HN 0.382 8.802 8.230 0.317 0.000 0.424 106 I N 0.578 121.314 120.570 0.277 0.000 2.498 106 I HA 0.504 4.875 4.170 0.087 -0.150 0.290 106 I C -1.733 174.271 176.117 -0.189 0.000 1.032 106 I CA -1.289 60.060 61.300 0.083 0.000 1.073 106 I CB 3.372 41.403 38.000 0.051 0.000 1.251 106 I HN 0.779 9.177 8.210 0.314 0.000 0.426 107 K N 6.299 126.405 120.400 -0.489 0.000 2.159 107 K HA 0.695 4.343 4.320 -1.411 -0.173 0.266 107 K C -1.021 175.292 176.600 -0.477 0.000 0.975 107 K CA -2.005 53.676 56.287 -1.011 0.000 0.865 107 K CB 3.194 34.989 32.500 -1.176 0.000 1.087 107 K HN 0.751 8.827 8.250 -0.290 0.000 0.446 108 L N 4.870 125.836 121.223 -0.429 0.000 2.375 108 L HA 0.184 4.536 4.340 -0.168 -0.112 0.271 108 L C 1.802 178.557 176.870 -0.193 0.000 1.107 108 L CA 0.017 54.724 54.840 -0.222 0.000 0.806 108 L CB 0.343 42.308 42.059 -0.158 0.000 1.146 108 L HN 0.720 8.611 8.230 -0.566 0.000 0.447 109 K N 2.321 122.647 120.400 -0.123 0.000 2.147 109 K HA -0.295 3.964 4.320 -0.103 0.000 0.205 109 K C -0.004 176.551 176.600 -0.076 0.000 1.049 109 K CA 2.690 58.922 56.287 -0.091 0.000 0.936 109 K CB 0.384 32.850 32.500 -0.058 0.000 0.722 109 K HN 0.609 8.798 8.250 -0.101 0.000 0.446 110 S N -4.307 111.352 115.700 -0.068 0.000 2.632 110 S HA 0.138 4.580 4.470 -0.046 0.000 0.289 110 S C -1.803 172.766 174.600 -0.052 0.000 1.115 110 S CA -1.205 56.966 58.200 -0.049 0.000 0.889 110 S CB 2.467 65.648 63.200 -0.031 0.000 1.116 110 S HN -0.564 7.684 8.310 -0.070 0.020 0.486 111 A N 1.573 124.372 122.820 -0.036 0.000 2.354 111 A HA 0.035 4.469 4.320 -0.039 -0.137 0.269 111 A C -0.751 176.825 177.584 -0.013 0.000 1.109 111 A CA -0.471 51.551 52.037 -0.025 0.000 0.800 111 A CB 0.776 19.771 19.000 -0.008 0.000 1.045 111 A HN 0.260 8.393 8.150 -0.029 0.000 0.489 112 A N 4.682 127.500 122.820 -0.004 0.000 2.351 112 A HA 0.103 4.423 4.320 -0.000 0.000 0.257 112 A C -0.683 176.907 177.584 0.009 0.000 1.087 112 A CA -0.524 51.516 52.037 0.005 0.000 0.798 112 A CB 1.216 20.228 19.000 0.020 0.000 1.033 112 A HN 0.529 8.564 8.150 -0.004 0.113 0.488 113 S N 0.729 116.433 115.700 0.006 0.000 2.438 113 S HA 0.083 4.558 4.470 0.009 0.000 0.293 113 S C -1.119 173.490 174.600 0.015 0.000 1.141 113 S CA -0.208 57.996 58.200 0.006 0.000 1.080 113 S CB 0.427 63.625 63.200 -0.002 0.000 0.978 113 S HN -0.087 8.523 8.310 0.002 -0.298 0.479 114 L N 5.991 127.227 121.223 0.022 0.000 2.350 114 L HA 0.089 4.542 4.340 0.035 -0.092 0.275 114 L C -0.499 176.385 176.870 0.024 0.000 1.099 114 L CA -0.201 54.657 54.840 0.030 0.000 0.808 114 L CB 0.733 42.814 42.059 0.037 0.000 1.149 114 L HN 0.295 8.537 8.230 0.020 0.000 0.442 115 N N 2.647 121.363 118.700 0.026 0.000 3.449 115 N HA 0.155 4.907 4.740 0.020 0.000 0.312 115 N C -0.062 175.463 175.510 0.025 0.000 1.557 115 N CA -0.498 52.564 53.050 0.021 0.000 0.864 115 N CB 0.871 39.365 38.487 0.012 0.000 1.799 115 N HN 0.571 8.855 8.380 0.033 0.115 0.554 116 S N -0.512 115.200 115.700 0.021 0.000 2.387 116 S HA -0.375 4.110 4.470 0.026 0.000 0.230 116 S C 0.589 175.203 174.600 0.023 0.000 1.035 116 S CA 3.525 61.738 58.200 0.022 0.000 1.014 116 S CB -0.434 62.776 63.200 0.016 0.000 0.836 116 S HN 0.399 8.718 8.310 0.016 0.000 0.466 117 R N -3.031 117.480 120.500 0.019 0.000 2.276 117 R HA -0.038 4.310 4.340 0.013 0.000 0.196 117 R C -1.259 175.055 176.300 0.024 0.000 0.961 117 R CA 0.703 56.814 56.100 0.018 0.000 1.024 117 R CB 1.056 31.365 30.300 0.015 0.000 0.940 117 R HN -0.196 8.342 8.270 0.017 -0.257 0.480 118 V N -1.537 118.396 119.914 0.032 0.000 2.488 118 V HA 0.305 4.662 4.120 0.048 -0.208 0.293 118 V C -2.044 174.087 176.094 0.061 0.000 1.027 118 V CA -1.180 61.148 62.300 0.046 0.000 0.862 118 V CB 2.694 34.541 31.823 0.040 0.000 1.008 118 V HN -0.706 7.466 8.190 0.031 0.037 0.428 119 A N 6.936 129.809 122.820 0.089 0.000 2.527 119 A HA 0.640 5.010 4.320 0.083 0.000 0.293 119 A C -2.791 174.884 177.584 0.152 0.000 1.117 119 A CA -1.728 50.373 52.037 0.108 0.000 0.723 119 A CB 2.899 21.966 19.000 0.112 0.000 1.313 119 A HN 0.072 8.160 8.150 0.096 0.119 0.411 120 S N -0.686 115.089 115.700 0.126 0.000 2.713 120 S HA 0.694 5.386 4.470 0.165 -0.124 0.283 120 S C -0.826 173.831 174.600 0.094 0.000 1.161 120 S CA -1.412 56.863 58.200 0.126 0.000 0.999 120 S CB 1.688 64.941 63.200 0.088 0.000 1.039 120 S HN -0.011 8.356 8.310 0.096 0.000 0.548 121 I N 0.296 120.879 120.570 0.020 0.000 2.607 121 I HA 0.310 4.399 4.170 -0.136 0.000 0.305 121 I C -1.710 174.360 176.117 -0.079 0.000 0.995 121 I CA -2.033 59.180 61.300 -0.146 0.000 1.148 121 I CB 3.328 41.049 38.000 -0.464 0.000 1.323 121 I HN 0.203 8.441 8.210 0.047 0.000 0.461 122 S N 5.504 121.153 115.700 -0.086 0.000 2.586 122 S HA 0.280 4.735 4.470 -0.026 0.000 0.274 122 S C -0.757 173.816 174.600 -0.046 0.000 1.281 122 S CA -0.329 57.843 58.200 -0.046 0.000 1.035 122 S CB 0.867 64.046 63.200 -0.036 0.000 0.962 122 S HN 0.215 8.457 8.310 -0.114 0.000 0.512 123 L N 2.430 123.640 121.223 -0.021 0.000 2.439 123 L HA 0.221 4.559 4.340 -0.003 0.000 0.261 123 L C -1.217 175.648 176.870 -0.009 0.000 1.153 123 L CA -2.277 52.560 54.840 -0.005 0.000 0.808 123 L CB 0.117 42.181 42.059 0.008 0.000 1.126 123 L HN 0.322 8.542 8.230 -0.016 0.000 0.460 124 P HA 0.120 4.527 4.420 -0.020 0.000 0.276 124 P C -1.101 176.195 177.300 -0.006 0.000 1.244 124 P CA -0.558 62.536 63.100 -0.010 0.000 0.801 124 P CB 0.497 32.191 31.700 -0.011 0.000 1.006 128 c N 1.316 119.888 118.600 -0.047 0.000 2.459 128 c HA 0.163 4.688 4.570 -0.075 0.000 0.374 128 c C 0.154 174.182 174.090 -0.103 0.000 1.241 128 c CA -0.082 56.202 56.329 -0.075 0.000 2.352 128 c CB 0.425 42.896 42.510 -0.065 0.000 2.490 128 c HN -0.037 8.168 8.230 -0.041 0.000 0.583 129 A N 2.834 125.556 122.820 -0.163 0.000 2.271 129 A HA 0.068 4.317 4.320 -0.118 0.000 0.288 129 A C -0.852 176.634 177.584 -0.164 0.000 1.094 129 A CA -0.286 51.652 52.037 -0.165 0.000 0.828 129 A CB 0.670 19.541 19.000 -0.214 0.000 1.091 129 A HN 0.054 8.078 8.150 -0.210 0.000 0.493 133 G N 0.237 109.003 108.800 -0.056 0.000 2.284 133 G HA2 -0.276 3.657 3.960 -0.045 0.000 0.230 133 G HA3 -0.276 3.661 3.960 -0.039 0.000 0.230 133 G C 0.242 175.110 174.900 -0.053 0.000 1.021 133 G CA -0.197 44.874 45.100 -0.048 0.000 0.619 133 G HN 0.492 8.635 8.290 -0.060 0.111 0.510 134 T N 3.806 118.319 114.554 -0.069 0.000 2.940 134 T HA -0.223 4.096 4.350 -0.051 0.000 0.309 134 T C -0.905 173.757 174.700 -0.063 0.000 1.056 134 T CA 1.882 63.941 62.100 -0.068 0.000 1.137 134 T CB 0.266 69.079 68.868 -0.092 0.000 0.976 134 T HN -0.354 7.761 8.240 -0.081 0.076 0.547 135 Q N 4.331 124.106 119.800 -0.041 0.000 2.230 135 Q HA 0.280 4.740 4.340 -0.033 -0.140 0.253 135 Q C -0.763 175.223 176.000 -0.023 0.000 0.919 135 Q CA -0.183 55.605 55.803 -0.024 0.000 0.908 135 Q CB 1.921 30.663 28.738 0.006 0.000 1.245 135 Q HN 0.183 8.433 8.270 -0.033 0.000 0.437 136 c N 0.600 119.189 118.600 -0.020 0.000 2.973 136 c HA 0.683 5.377 4.570 -0.013 -0.132 0.329 136 c C -1.511 172.588 174.090 0.016 0.000 1.327 136 c CA -1.435 54.885 56.329 -0.016 0.000 1.632 136 c CB 4.141 46.621 42.510 -0.050 0.000 2.098 136 c HN 0.682 8.901 8.230 -0.019 0.000 0.469 137 L N 0.773 122.011 121.223 0.026 0.000 2.333 137 L HA 0.751 5.275 4.340 0.056 -0.151 0.280 137 L C -2.321 174.566 176.870 0.028 0.000 1.004 137 L CA -1.154 53.715 54.840 0.050 0.000 0.820 137 L CB 3.271 45.383 42.059 0.089 0.000 1.247 137 L HN 0.510 8.647 8.230 0.019 0.105 0.416 138 I N 7.520 128.089 120.570 -0.003 0.000 2.474 138 I HA 0.822 5.216 4.170 0.016 -0.214 0.294 138 I C -1.363 174.720 176.117 -0.057 0.000 1.005 138 I CA -1.517 59.778 61.300 -0.010 0.000 1.113 138 I CB 2.512 40.504 38.000 -0.013 0.000 1.289 138 I HN 0.962 9.169 8.210 -0.006 0.000 0.436 139 S N 2.692 118.356 115.700 -0.061 0.000 2.618 139 S HA 0.979 5.469 4.470 -0.225 -0.156 0.277 139 S C -1.171 173.317 174.600 -0.186 0.000 1.138 139 S CA -1.828 56.263 58.200 -0.181 0.000 0.844 139 S CB 3.768 66.828 63.200 -0.234 0.000 1.127 139 S HN -0.211 8.096 8.310 -0.005 0.000 0.474 140 G N -1.407 107.191 108.800 -0.336 0.000 2.328 140 G HA2 0.128 3.872 3.960 -0.360 0.000 0.299 140 G HA3 0.128 4.188 3.960 -0.046 -0.128 0.299 140 G C -2.255 172.447 174.900 -0.330 0.000 1.435 140 G CA 0.502 45.439 45.100 -0.272 0.000 0.865 140 G HN 0.227 8.256 8.290 -0.434 0.000 0.601 141 W N 1.357 122.625 121.300 -0.054 0.000 3.086 141 W HA 0.338 4.955 4.660 -0.071 0.000 0.436 141 W C -0.632 175.937 176.519 0.083 0.000 0.939 141 W CA -0.933 56.349 57.345 -0.106 0.000 2.108 141 W CB -0.210 28.990 29.460 -0.433 0.000 1.093 141 W HN 0.572 8.952 8.180 0.333 0.000 0.783 142 G N 0.500 109.468 108.800 0.280 0.000 2.535 142 G HA2 0.078 4.395 3.960 0.595 0.000 0.303 142 G HA3 0.078 4.278 3.960 0.275 -0.075 0.303 142 G C -0.971 173.953 174.900 0.040 0.000 1.237 142 G CA -1.197 44.097 45.100 0.323 0.000 0.986 142 G HN -0.575 7.943 8.290 0.161 -0.132 0.494 143 N N -0.098 118.435 118.700 -0.279 0.000 2.232 143 N HA -0.325 3.960 4.740 -1.073 -0.189 0.251 143 N C 0.727 176.090 175.510 -0.246 0.000 1.242 143 N CA 1.387 54.062 53.050 -0.625 0.000 0.837 143 N CB 0.468 38.630 38.487 -0.543 0.000 1.079 143 N HN -0.197 8.146 8.380 -0.062 0.000 0.461 144 T N -0.943 113.482 114.554 -0.216 0.000 3.129 144 T HA 0.191 4.621 4.350 -0.082 -0.129 0.267 144 T C -0.245 174.407 174.700 -0.080 0.000 1.018 144 T CA -0.164 61.873 62.100 -0.105 0.000 0.903 144 T CB 1.150 69.975 68.868 -0.073 0.000 1.067 144 T HN 0.549 8.622 8.240 -0.279 0.000 0.549 145 K N 1.629 121.973 120.400 -0.094 0.000 2.324 145 K HA 0.388 4.685 4.320 -0.038 0.000 0.253 145 K C -0.265 176.314 176.600 -0.036 0.000 0.932 145 K CA -2.056 54.199 56.287 -0.054 0.000 0.799 145 K CB 2.394 34.864 32.500 -0.050 0.000 1.154 145 K HN -0.705 7.657 8.250 -0.142 -0.198 0.425 146 S N 1.950 117.641 115.700 -0.015 0.000 2.371 146 S HA -0.229 4.323 4.470 0.005 -0.079 0.224 146 S C -0.128 174.475 174.600 0.005 0.000 1.029 146 S CA 2.365 60.566 58.200 0.001 0.000 0.978 146 S CB 0.636 63.842 63.200 0.009 0.000 0.833 146 S HN 0.259 8.561 8.310 -0.013 0.000 0.466 147 S N 0.372 116.072 115.700 0.001 0.000 2.399 147 S HA 0.137 4.613 4.470 0.010 0.000 0.215 147 S C -1.063 173.537 174.600 0.001 0.000 1.456 147 S CA -0.045 58.159 58.200 0.006 0.000 1.199 147 S CB -0.281 62.924 63.200 0.008 0.000 1.063 147 S HN -0.379 7.929 8.310 -0.003 0.000 0.476 148 G N 2.783 111.582 108.800 -0.002 0.000 2.368 148 G HA2 -0.140 3.825 3.960 0.008 0.000 0.302 148 G HA3 -0.140 3.817 3.960 -0.006 0.000 0.302 148 G C -2.621 172.269 174.900 -0.018 0.000 1.329 148 G CA -0.172 44.926 45.100 -0.003 0.000 0.935 148 G HN -0.402 7.888 8.290 -0.000 0.000 0.590 149 T N 0.320 114.868 114.554 -0.010 0.000 2.840 149 T HA 0.098 4.544 4.350 -0.112 -0.164 0.287 149 T C -1.580 173.098 174.700 -0.037 0.000 0.991 149 T CA -0.445 61.637 62.100 -0.030 0.000 0.964 149 T CB 1.666 70.581 68.868 0.078 0.000 0.954 149 T HN -0.048 8.196 8.240 0.007 0.000 0.438 150 S N 6.205 121.813 115.700 -0.152 0.000 2.689 150 S HA 0.245 4.735 4.470 0.034 0.000 0.274 150 S C -2.235 172.261 174.600 -0.174 0.000 1.176 150 S CA 0.133 58.294 58.200 -0.065 0.000 1.014 150 S CB 1.577 64.749 63.200 -0.046 0.000 1.071 150 S HN 0.555 9.033 8.310 -0.326 -0.363 0.478 151 Y N 5.772 126.104 120.300 0.052 0.000 2.331 151 Y HA 0.261 4.857 4.550 0.077 0.000 0.338 151 Y C -1.217 174.724 175.900 0.068 0.000 0.992 151 Y CA -2.727 55.415 58.100 0.070 0.000 1.121 151 Y CB 0.998 39.507 38.460 0.082 0.000 1.184 151 Y HN 0.165 8.590 8.280 0.241 0.000 0.469 152 P HA 0.254 4.745 4.420 0.118 0.000 0.282 152 P C -1.836 175.589 177.300 0.208 0.000 1.287 152 P CA -1.135 62.056 63.100 0.152 0.000 0.792 152 P CB 2.340 34.097 31.700 0.094 0.000 1.163 153 D N -3.200 117.308 120.400 0.180 0.000 2.473 153 D HA 0.068 4.808 4.640 0.168 0.000 0.230 153 D C -1.151 175.328 176.300 0.298 0.000 1.097 153 D CA 0.773 54.884 54.000 0.184 0.000 0.861 153 D CB 1.290 42.149 40.800 0.099 0.000 1.114 153 D HN 0.325 8.778 8.370 0.138 0.000 0.500 154 V N -6.302 113.758 119.914 0.243 0.000 2.850 154 V HA 0.745 5.355 4.120 0.365 -0.270 0.315 154 V C -0.616 175.488 176.094 0.015 0.000 1.064 154 V CA -2.724 59.707 62.300 0.218 0.000 0.979 154 V CB 2.195 34.076 31.823 0.097 0.000 1.039 154 V HN -0.992 7.297 8.190 0.165 0.000 0.452 155 L N 2.489 123.589 121.223 -0.205 0.000 2.453 155 L HA -0.033 3.577 4.340 -1.216 0.000 0.272 155 L C -0.445 176.186 176.870 -0.398 0.000 1.182 155 L CA 0.797 55.216 54.840 -0.702 0.000 0.858 155 L CB 0.716 42.330 42.059 -0.742 0.000 1.120 155 L HN -0.229 8.171 8.230 0.002 -0.168 0.474 156 K N 4.713 124.850 120.400 -0.439 0.000 2.259 156 K HA 0.716 5.016 4.320 -0.318 -0.170 0.249 156 K C -1.256 175.089 176.600 -0.423 0.000 0.942 156 K CA -2.572 53.507 56.287 -0.347 0.000 0.816 156 K CB 2.787 35.141 32.500 -0.243 0.000 1.155 156 K HN -0.413 7.499 8.250 -0.562 0.000 0.428 157 c N -0.554 117.690 118.600 -0.593 0.000 2.779 157 c HA 1.023 5.539 4.570 -0.403 -0.188 0.314 157 c C -1.759 171.912 174.090 -0.699 0.000 1.231 157 c CA -0.862 55.065 56.329 -0.671 0.000 1.652 157 c CB 3.686 45.668 42.510 -0.881 0.000 2.198 157 c HN 0.712 8.514 8.230 -0.713 0.000 0.483 158 L N 0.596 121.626 121.223 -0.322 0.000 2.513 158 L HA 0.449 4.765 4.340 -0.039 0.000 0.261 158 L C -2.662 174.249 176.870 0.070 0.000 0.945 158 L CA 0.131 54.926 54.840 -0.075 0.000 0.848 158 L CB 4.440 46.486 42.059 -0.022 0.000 1.334 158 L HN 0.700 8.796 8.230 -0.223 0.000 0.407 159 K N 5.634 126.147 120.400 0.188 0.000 2.206 159 K HA 0.917 5.528 4.320 0.120 -0.219 0.264 159 K C -0.970 175.761 176.600 0.217 0.000 0.967 159 K CA -1.213 55.179 56.287 0.175 0.000 0.844 159 K CB 2.007 34.619 32.500 0.187 0.000 1.099 159 K HN 0.351 8.744 8.250 0.239 0.000 0.441 160 A N 3.679 126.570 122.820 0.118 0.000 2.549 160 A HA 0.717 5.093 4.320 0.094 0.000 0.297 160 A C -3.398 174.136 177.584 -0.084 0.000 1.061 160 A CA -2.589 49.464 52.037 0.027 0.000 0.690 160 A CB 2.812 21.820 19.000 0.014 0.000 1.287 160 A HN 0.386 8.572 8.150 0.060 0.000 0.402 161 P HA 0.683 5.243 4.420 -0.088 -0.193 0.281 161 P C -1.096 176.136 177.300 -0.113 0.000 1.264 161 P CA -1.396 61.624 63.100 -0.134 0.000 0.824 161 P CB 1.581 33.201 31.700 -0.133 0.000 1.092 162 I N -1.110 119.413 120.570 -0.078 0.000 2.474 162 I HA 0.066 4.400 4.170 0.067 -0.124 0.287 162 I C 0.146 176.250 176.117 -0.022 0.000 1.048 162 I CA 0.116 61.400 61.300 -0.026 0.000 1.383 162 I CB 0.648 38.570 38.000 -0.130 0.000 1.412 162 I HN -0.172 7.986 8.210 -0.087 0.000 0.531 163 L N 6.337 127.580 121.223 0.032 0.000 2.375 163 L HA 0.292 4.619 4.340 -0.021 0.000 0.268 163 L C -0.504 176.383 176.870 0.029 0.000 1.058 163 L CA -1.147 53.700 54.840 0.012 0.000 0.803 163 L CB 0.769 42.842 42.059 0.023 0.000 1.212 163 L HN 0.437 8.629 8.230 0.109 0.103 0.451 164 S N -0.936 114.773 115.700 0.014 0.000 2.572 164 S HA -0.097 4.380 4.470 0.012 0.000 0.279 164 S C 0.647 175.271 174.600 0.041 0.000 1.341 164 S CA -0.497 57.714 58.200 0.019 0.000 1.043 164 S CB 1.053 64.258 63.200 0.009 0.000 0.887 164 S HN 0.030 8.343 8.310 0.004 0.000 0.516 165 D N 3.132 123.559 120.400 0.046 0.000 2.218 165 D HA -0.281 4.411 4.640 0.086 0.000 0.204 165 D C 1.896 178.228 176.300 0.053 0.000 0.976 165 D CA 3.507 57.545 54.000 0.064 0.000 0.853 165 D CB -0.442 40.395 40.800 0.061 0.000 0.939 165 D HN 0.533 8.923 8.370 0.034 0.000 0.481 166 S N -0.856 114.865 115.700 0.036 0.000 2.370 166 S HA -0.354 4.135 4.470 0.032 0.000 0.226 166 S C 1.866 176.481 174.600 0.025 0.000 1.033 166 S CA 3.501 61.718 58.200 0.028 0.000 1.011 166 S CB -0.364 62.846 63.200 0.018 0.000 0.852 166 S HN 0.200 8.509 8.310 0.029 0.018 0.457 167 S N 2.042 117.755 115.700 0.022 0.000 2.406 167 S HA -0.169 4.301 4.470 0.000 0.000 0.228 167 S C 1.983 176.593 174.600 0.016 0.000 1.020 167 S CA 2.868 61.074 58.200 0.010 0.000 0.965 167 S CB -0.187 63.017 63.200 0.006 0.000 0.798 167 S HN -0.534 7.790 8.310 0.023 0.000 0.488 168 c N 4.131 122.761 118.600 0.050 0.000 2.473 168 c HA -0.266 4.360 4.570 0.093 0.000 0.279 168 c C 1.932 176.090 174.090 0.115 0.000 1.250 168 c CA 3.117 59.502 56.329 0.093 0.000 1.713 168 c CB -1.827 40.748 42.510 0.108 0.000 2.066 168 c HN -0.400 7.750 8.230 0.052 0.111 0.474 169 K N -1.290 119.169 120.400 0.099 0.000 2.152 169 K HA -0.368 4.042 4.320 0.150 0.000 0.206 169 K C 2.197 178.837 176.600 0.066 0.000 1.048 169 K CA 3.291 59.639 56.287 0.102 0.000 0.933 169 K CB -0.198 32.349 32.500 0.078 0.000 0.721 169 K HN 0.179 8.479 8.250 0.084 0.000 0.447 170 S N -2.011 113.704 115.700 0.025 0.000 2.436 170 S HA -0.185 4.288 4.470 0.006 0.000 0.228 170 S C 0.486 175.048 174.600 -0.063 0.000 1.014 170 S CA 2.591 60.786 58.200 -0.007 0.000 0.950 170 S CB -0.024 63.168 63.200 -0.013 0.000 0.784 170 S HN -0.430 7.781 8.310 0.026 0.114 0.504 171 A N -0.051 122.690 122.820 -0.131 0.000 1.929 171 A HA -0.062 4.082 4.320 -0.293 0.000 0.216 171 A C -0.350 176.936 177.584 -0.496 0.000 1.176 171 A CA 1.853 53.661 52.037 -0.382 0.000 0.628 171 A CB 0.784 19.416 19.000 -0.614 0.000 0.816 171 A HN -0.610 7.372 8.150 -0.077 0.123 0.444 172 Y N -4.723 115.616 120.300 0.064 0.000 2.747 172 Y HA 0.528 5.149 4.550 0.118 0.000 0.362 172 Y C -2.470 173.490 175.900 0.101 0.000 1.026 172 Y CA -3.126 55.045 58.100 0.117 0.000 1.135 172 Y CB -0.280 38.309 38.460 0.216 0.000 1.175 172 Y HN -0.328 7.960 8.280 0.015 0.000 0.643 173 P HA 0.016 4.595 4.420 0.100 -0.100 0.264 173 P C 0.502 177.867 177.300 0.108 0.000 1.193 173 P CA 0.425 63.589 63.100 0.106 0.000 0.763 173 P CB 0.238 31.974 31.700 0.061 0.000 0.810 174 G N 4.697 113.551 108.800 0.090 0.000 2.220 174 G HA2 -0.253 3.740 3.960 0.056 0.000 0.269 174 G HA3 -0.253 3.737 3.960 0.051 0.000 0.269 174 G C 0.226 175.173 174.900 0.078 0.000 0.977 174 G CA 0.898 46.038 45.100 0.068 0.000 0.634 174 G HN 0.467 8.808 8.290 0.085 0.000 0.539 175 Q N -1.545 118.337 119.800 0.135 0.000 2.378 175 Q HA 0.040 4.412 4.340 0.054 0.000 0.216 175 Q C -0.000 176.125 176.000 0.209 0.000 0.892 175 Q CA 0.036 55.924 55.803 0.142 0.000 0.931 175 Q CB 1.257 30.111 28.738 0.194 0.000 1.086 175 Q HN -0.467 7.816 8.270 0.177 0.093 0.528 176 I N -0.482 120.214 120.570 0.211 0.000 2.365 176 I HA -0.026 4.290 4.170 0.242 0.000 0.291 176 I C 0.079 176.274 176.117 0.130 0.000 1.004 176 I CA -1.606 59.808 61.300 0.191 0.000 1.311 176 I CB -0.642 37.459 38.000 0.168 0.000 1.401 176 I HN -0.509 7.817 8.210 0.194 0.000 0.491 177 T N 1.554 116.183 114.554 0.124 0.000 2.919 177 T HA 0.463 4.857 4.350 0.073 0.000 0.282 177 T C 0.879 175.633 174.700 0.090 0.000 1.020 177 T CA -2.153 60.000 62.100 0.088 0.000 0.994 177 T CB 2.577 71.491 68.868 0.077 0.000 1.180 177 T HN -0.484 7.845 8.240 0.148 0.000 0.566 178 S N -2.345 113.396 115.700 0.068 0.000 2.547 178 S HA -0.205 4.307 4.470 0.071 0.000 0.235 178 S C 0.503 175.150 174.600 0.079 0.000 0.980 178 S CA 1.995 60.232 58.200 0.062 0.000 0.941 178 S CB -0.202 63.015 63.200 0.028 0.000 0.763 178 S HN 0.371 8.713 8.310 0.053 0.000 0.532 179 N N 0.522 119.281 118.700 0.099 0.000 2.276 179 N HA 0.188 5.005 4.740 0.128 0.000 0.212 179 N C -1.802 173.830 175.510 0.203 0.000 1.127 179 N CA -0.461 52.681 53.050 0.153 0.000 0.834 179 N CB 0.802 39.404 38.487 0.191 0.000 1.014 179 N HN -0.569 7.792 8.380 0.095 0.077 0.491 180 M N -1.529 118.174 119.600 0.171 0.000 2.619 180 M HA 0.791 5.524 4.480 0.090 -0.199 0.297 180 M C -2.081 174.322 176.300 0.172 0.000 1.229 180 M CA -0.361 55.010 55.300 0.119 0.000 0.860 180 M CB 5.093 37.732 32.600 0.064 0.000 1.741 180 M HN -0.761 7.535 8.290 0.153 0.086 0.462 181 F N -4.715 115.275 119.950 0.067 0.000 2.662 181 F HA 0.626 5.180 4.527 0.046 0.000 0.312 181 F C -2.720 173.135 175.800 0.092 0.000 1.113 181 F CA -2.037 56.002 58.000 0.065 0.000 0.951 181 F CB 2.243 41.279 39.000 0.060 0.000 1.344 181 F HN 0.107 8.221 8.300 -0.310 0.000 0.462 182 c N -0.458 118.289 118.600 0.246 0.000 2.454 182 c HA 0.956 5.743 4.570 0.075 -0.172 0.336 182 c C -1.226 173.043 174.090 0.298 0.000 1.189 182 c CA -1.154 55.277 56.329 0.169 0.000 1.877 182 c CB 3.081 45.652 42.510 0.102 0.000 2.348 182 c HN 0.855 9.283 8.230 0.331 0.000 0.508 183 A N 2.239 125.218 122.820 0.264 0.000 2.442 183 A HA 0.668 5.159 4.320 0.060 -0.135 0.284 183 A C -2.281 175.341 177.584 0.064 0.000 1.058 183 A CA -0.494 51.606 52.037 0.106 0.000 0.738 183 A CB 2.865 21.820 19.000 -0.074 0.000 1.242 183 A HN 0.342 8.700 8.150 0.347 0.000 0.421 184 Y N 3.098 123.429 120.300 0.052 0.000 2.452 184 Y HA 0.082 4.684 4.550 0.033 -0.033 0.348 184 Y C 1.125 177.042 175.900 0.028 0.000 0.985 184 Y CA -0.284 57.837 58.100 0.036 0.000 1.214 184 Y CB 0.088 38.566 38.460 0.031 0.000 1.136 184 Y HN 0.280 8.681 8.280 0.202 0.000 0.523 185 L N 4.402 125.684 121.223 0.099 0.000 2.265 185 L HA -0.406 3.961 4.340 0.045 0.000 0.215 185 L C 1.007 177.921 176.870 0.073 0.000 1.117 185 L CA 2.678 57.554 54.840 0.061 0.000 0.782 185 L CB -0.578 41.497 42.059 0.026 0.000 0.914 185 L HN 0.565 8.828 8.230 0.055 0.000 0.441 186 E N -2.842 117.425 120.200 0.111 0.000 2.274 186 E HA -0.121 4.260 4.350 0.053 0.000 0.194 186 E C 0.909 177.552 176.600 0.071 0.000 0.996 186 E CA 0.367 56.814 56.400 0.078 0.000 0.840 186 E CB -0.290 29.458 29.700 0.079 0.000 0.772 186 E HN 0.190 8.598 8.360 0.159 0.047 0.491 187 G N 0.619 109.483 108.800 0.106 0.000 3.421 187 G HA2 -0.359 3.778 3.960 0.104 0.000 0.686 187 G HA3 -0.359 3.635 3.960 0.057 0.000 0.686 187 G C -1.087 173.853 174.900 0.067 0.000 1.056 187 G CA -0.462 44.690 45.100 0.086 0.000 0.891 187 G HN -0.365 7.851 8.290 0.162 0.170 0.514 188 K N 2.311 122.721 120.400 0.017 0.000 6.987 188 K HA -0.586 3.989 4.320 0.018 -0.245 0.613 188 K C -1.180 175.522 176.600 0.171 0.000 2.559 188 K CA 0.898 57.216 56.287 0.051 0.000 1.952 188 K CB 0.157 32.602 32.500 -0.091 0.000 1.920 188 K HN 0.116 8.406 8.250 0.067 0.000 0.278 189 D N -0.084 120.394 120.400 0.130 0.000 2.804 189 D HA 0.212 4.969 4.640 0.196 0.000 0.309 189 D C -2.039 174.328 176.300 0.112 0.000 1.311 189 D CA -0.512 53.576 54.000 0.147 0.000 0.765 189 D CB 3.408 44.279 40.800 0.120 0.000 1.293 189 D HN 0.012 8.432 8.370 0.085 0.000 0.434 190 S N -1.723 114.058 115.700 0.134 0.000 2.713 190 S HA 0.330 4.913 4.470 0.083 -0.062 0.283 190 S C -1.483 173.161 174.600 0.074 0.000 1.161 190 S CA -0.554 57.714 58.200 0.113 0.000 0.999 190 S CB 1.882 65.191 63.200 0.182 0.000 1.039 190 S HN 0.251 8.661 8.310 0.167 0.000 0.548 191 c N -1.230 117.414 118.600 0.074 0.000 3.292 191 c HA 0.326 4.933 4.570 0.062 0.000 0.369 191 c C -1.241 172.919 174.090 0.116 0.000 1.664 191 c CA -1.135 55.235 56.329 0.069 0.000 1.204 191 c CB 2.871 45.398 42.510 0.029 0.000 1.978 191 c HN 0.545 9.150 8.230 0.088 -0.322 0.435 192 Q N 0.797 120.679 119.800 0.136 0.000 2.352 192 Q HA -0.039 4.425 4.340 0.207 0.000 0.260 192 Q C 0.563 176.748 176.000 0.309 0.000 0.976 192 Q CA 0.277 56.207 55.803 0.212 0.000 0.881 192 Q CB 0.138 29.002 28.738 0.210 0.000 1.235 192 Q HN 0.498 8.831 8.270 0.105 0.000 0.419 193 G N 3.192 112.184 108.800 0.320 0.000 2.218 193 G HA2 -0.388 3.771 3.960 0.332 0.000 0.216 193 G HA3 -0.388 3.914 3.960 0.570 0.000 0.216 193 G C 0.161 175.301 174.900 0.399 0.000 0.994 193 G CA 0.854 46.203 45.100 0.414 0.000 0.637 193 G HN 0.848 9.301 8.290 0.272 0.000 0.505 194 D N 0.926 121.493 120.400 0.277 0.000 2.366 194 D HA 0.133 4.924 4.640 0.253 0.000 0.205 194 D C 0.168 176.575 176.300 0.178 0.000 1.022 194 D CA 0.615 54.746 54.000 0.218 0.000 0.868 194 D CB 0.687 41.577 40.800 0.151 0.000 0.953 194 D HN -0.286 8.127 8.370 0.246 0.103 0.514 195 S N -0.813 114.989 115.700 0.169 0.000 2.561 195 S HA -0.470 4.238 4.470 0.144 -0.151 0.294 195 S C 1.076 175.697 174.600 0.034 0.000 1.294 195 S CA 2.958 61.231 58.200 0.121 0.000 1.055 195 S CB 0.005 63.288 63.200 0.138 0.000 0.819 195 S HN -0.470 7.916 8.310 0.199 0.044 0.503 196 G N 3.598 112.405 108.800 0.012 0.000 2.284 196 G HA2 -0.463 3.575 3.960 -0.016 0.000 0.247 196 G HA3 -0.463 3.605 3.960 -0.043 -0.133 0.247 196 G C 0.025 174.966 174.900 0.068 0.000 1.012 196 G CA 0.266 45.366 45.100 -0.001 0.000 0.618 196 G HN 0.713 8.927 8.290 0.042 0.101 0.521 197 G N 1.171 110.034 108.800 0.105 0.000 2.634 197 G HA2 0.259 4.300 3.960 0.136 0.000 0.255 197 G HA3 0.259 4.298 3.960 0.131 0.000 0.255 197 G C -2.552 172.435 174.900 0.146 0.000 1.205 197 G CA -1.898 43.281 45.100 0.132 0.000 0.884 197 G HN -0.566 7.674 8.290 0.107 0.114 0.549 198 P HA 0.291 4.924 4.420 0.141 -0.128 0.281 198 P C -1.533 175.840 177.300 0.122 0.000 1.249 198 P CA -0.812 62.386 63.100 0.163 0.000 0.810 198 P CB 1.653 33.510 31.700 0.261 0.000 1.008 199 V N 1.555 121.520 119.914 0.085 0.000 2.419 199 V HA 0.292 4.580 4.120 0.000 -0.168 0.287 199 V C -1.323 174.783 176.094 0.020 0.000 1.017 199 V CA -0.422 61.891 62.300 0.022 0.000 0.844 199 V CB 1.855 33.671 31.823 -0.012 0.000 1.011 199 V HN -0.303 7.941 8.190 0.089 0.000 0.429 200 V N 7.885 127.803 119.914 0.006 0.000 2.417 200 V HA 0.661 4.931 4.120 -0.063 -0.189 0.291 200 V C -1.267 174.810 176.094 -0.029 0.000 1.024 200 V CA -1.292 60.984 62.300 -0.040 0.000 0.861 200 V CB 2.854 34.631 31.823 -0.076 0.000 0.985 200 V HN 0.387 8.595 8.190 0.030 0.000 0.436 201 c N 6.468 125.038 118.600 -0.050 0.000 2.431 201 c HA 0.585 5.135 4.570 -0.033 0.000 0.321 201 c C 0.552 174.612 174.090 -0.050 0.000 1.202 201 c CA -1.639 54.660 56.329 -0.051 0.000 1.398 201 c CB 1.821 44.281 42.510 -0.082 0.000 2.047 201 c HN 0.509 8.702 8.230 -0.061 0.000 0.465 202 S N 4.847 120.526 115.700 -0.034 0.000 3.614 202 S HA -0.354 4.104 4.470 -0.019 0.000 0.360 202 S C 0.048 174.628 174.600 -0.032 0.000 1.023 202 S CA 1.062 59.245 58.200 -0.030 0.000 1.114 202 S CB -1.045 62.133 63.200 -0.037 0.000 0.907 202 S HN 1.168 9.463 8.310 -0.025 0.000 0.470 203 G N -4.818 103.962 108.800 -0.034 0.000 2.184 203 G HA2 -0.359 3.575 3.960 -0.042 0.000 0.264 203 G HA3 -0.359 3.582 3.960 -0.031 0.000 0.264 203 G C -1.035 173.819 174.900 -0.076 0.000 0.975 203 G CA 0.270 45.343 45.100 -0.045 0.000 0.642 203 G HN 0.293 8.551 8.290 -0.028 0.016 0.536 210 Q N 1.129 120.945 119.800 0.028 0.000 2.350 210 Q HA 0.218 4.590 4.340 0.053 0.000 0.225 210 Q C -0.283 175.870 176.000 0.256 0.000 0.878 210 Q CA 0.022 55.860 55.803 0.059 0.000 0.935 210 Q CB 2.655 31.347 28.738 -0.076 0.000 1.099 210 Q HN 0.330 8.608 8.270 0.012 0.000 0.527 211 G N -2.792 106.175 108.800 0.278 0.000 2.695 211 G HA2 0.604 5.094 3.960 0.423 0.000 0.290 211 G HA3 0.604 4.843 3.960 0.464 0.000 0.290 211 G C -3.259 171.771 174.900 0.217 0.000 1.410 211 G CA -0.546 44.773 45.100 0.364 0.000 0.844 211 G HN -0.448 7.943 8.290 0.169 0.000 0.478 212 I N -1.602 119.095 120.570 0.211 0.000 2.533 212 I HA 0.560 5.059 4.170 0.167 -0.228 0.290 212 I C -0.552 175.692 176.117 0.212 0.000 1.056 212 I CA -1.370 60.034 61.300 0.172 0.000 1.057 212 I CB 4.461 42.523 38.000 0.104 0.000 1.240 212 I HN -0.439 7.973 8.210 0.205 -0.078 0.423 213 V N 6.966 127.013 119.914 0.221 0.000 2.485 213 V HA -0.183 3.978 4.120 0.068 0.000 0.287 213 V C -1.137 174.995 176.094 0.063 0.000 1.022 213 V CA 1.886 64.270 62.300 0.139 0.000 1.067 213 V CB -1.050 30.876 31.823 0.172 0.000 0.967 213 V HN 0.285 8.593 8.190 0.198 0.000 0.479 214 S N 8.256 123.905 115.700 -0.085 0.000 3.142 214 S HA 0.353 5.044 4.470 0.369 0.000 0.223 214 S C -1.100 173.600 174.600 0.168 0.000 0.939 214 S CA 0.591 58.874 58.200 0.138 0.000 0.826 214 S CB 1.975 65.229 63.200 0.090 0.000 0.823 214 S HN -0.035 8.033 8.310 -0.403 0.000 0.612 215 W N -3.381 117.770 121.300 -0.249 0.000 3.019 215 W HA 0.315 4.864 4.660 -0.186 0.000 0.412 215 W C -2.703 173.639 176.519 -0.295 0.000 1.087 215 W CA -0.986 56.209 57.345 -0.249 0.000 1.170 215 W CB 1.644 30.945 29.460 -0.264 0.000 1.483 215 W HN -0.082 7.800 8.180 -0.495 0.000 0.606 216 G N -2.752 106.074 108.800 0.042 0.000 2.315 216 G HA2 0.060 3.697 3.960 -0.538 0.000 0.294 216 G HA3 0.060 3.935 3.960 -0.142 0.000 0.294 216 G C -2.312 172.699 174.900 0.186 0.000 1.300 216 G CA 0.167 45.189 45.100 -0.130 0.000 0.843 216 G HN -0.042 8.494 8.290 0.411 0.000 0.527 220 c N 1.874 120.507 118.600 0.056 0.000 3.401 220 c HA 0.329 5.079 4.570 0.057 -0.146 0.204 220 c C -1.402 172.716 174.090 0.048 0.000 1.522 220 c CA -0.841 55.519 56.329 0.050 0.000 1.409 220 c CB -1.278 41.253 42.510 0.035 0.000 1.967 220 c HN 0.346 8.606 8.230 0.049 0.000 0.496 221 Q N -1.426 118.407 119.800 0.055 0.000 2.939 221 Q HA 0.120 4.481 4.340 0.035 0.000 0.274 221 Q C -1.480 174.544 176.000 0.040 0.000 0.941 221 Q CA -0.564 55.264 55.803 0.043 0.000 0.824 221 Q CB 2.514 31.278 28.738 0.044 0.000 1.779 221 Q HN 0.191 8.500 8.270 0.065 0.000 0.470 222 K N 1.981 122.398 120.400 0.028 0.000 2.326 222 K HA -0.225 4.229 4.320 0.036 -0.113 0.275 222 K C 0.145 176.746 176.600 0.002 0.000 1.018 222 K CA 0.928 57.228 56.287 0.022 0.000 0.962 222 K CB 0.311 32.821 32.500 0.016 0.000 0.953 222 K HN 0.210 8.474 8.250 0.024 0.000 0.475 223 N N 1.678 120.375 118.700 -0.006 0.000 2.713 223 N HA -0.347 4.369 4.740 -0.040 0.000 0.251 223 N C -1.206 174.241 175.510 -0.105 0.000 1.117 223 N CA 1.969 54.989 53.050 -0.050 0.000 0.770 223 N CB -0.806 37.643 38.487 -0.062 0.000 1.137 223 N HN 0.610 8.885 8.380 0.013 0.113 0.566 224 K N -1.408 118.965 120.400 -0.045 0.000 2.762 224 K HA 0.532 4.728 4.320 -0.206 0.000 0.180 224 K C -2.196 174.458 176.600 0.091 0.000 1.067 224 K CA -3.779 52.493 56.287 -0.025 0.000 0.973 224 K CB 0.207 32.739 32.500 0.052 0.000 1.290 224 K HN -0.765 7.421 8.250 0.001 0.065 0.604 225 P HA -0.062 4.417 4.420 0.099 0.000 0.274 225 P C -0.695 176.648 177.300 0.072 0.000 1.260 225 P CA -0.379 62.779 63.100 0.097 0.000 0.793 225 P CB 1.099 32.843 31.700 0.073 0.000 1.048 226 G N -2.748 106.074 108.800 0.037 0.000 2.476 226 G HA2 0.378 4.164 3.960 -0.290 0.000 0.286 226 G HA3 0.378 4.284 3.960 -0.193 -0.062 0.286 226 G C -1.841 172.748 174.900 -0.519 0.000 1.177 226 G CA -0.933 44.023 45.100 -0.239 0.000 0.870 226 G HN -0.393 7.978 8.290 0.136 0.000 0.528 227 V N 1.241 120.512 119.914 -1.071 0.000 2.495 227 V HA 0.528 4.341 4.120 -0.761 -0.150 0.298 227 V C -1.063 174.211 176.094 -1.367 0.000 1.031 227 V CA -0.864 60.730 62.300 -1.177 0.000 0.871 227 V CB 2.110 32.794 31.823 -1.898 0.000 0.988 227 V HN 0.242 7.787 8.190 -1.076 0.000 0.432 228 Y N 5.432 125.324 120.300 -0.680 0.000 2.485 228 Y HA 0.594 5.071 4.550 -0.369 -0.148 0.345 228 Y C 0.286 175.907 175.900 -0.464 0.000 0.998 228 Y CA -2.404 55.317 58.100 -0.633 0.000 1.059 228 Y CB 3.788 41.636 38.460 -1.019 0.000 1.234 228 Y HN 0.990 8.854 8.280 -0.694 0.000 0.461 229 T N 4.809 119.339 114.554 -0.040 0.000 2.851 229 T HA 0.018 4.560 4.350 0.101 -0.131 0.298 229 T C -0.739 174.111 174.700 0.250 0.000 0.977 229 T CA 1.247 63.403 62.100 0.093 0.000 1.126 229 T CB 0.677 69.582 68.868 0.063 0.000 0.916 229 T HN 0.429 8.678 8.240 0.014 0.000 0.529 230 K N 8.450 129.077 120.400 0.377 0.000 2.150 230 K HA 0.110 4.974 4.320 0.701 -0.123 0.261 230 K C 1.148 178.007 176.600 0.431 0.000 1.127 230 K CA -0.547 56.037 56.287 0.495 0.000 0.989 230 K CB -0.225 32.521 32.500 0.411 0.000 1.475 230 K HN 0.112 8.564 8.250 0.337 0.000 0.391 231 V N 5.758 125.902 119.914 0.383 0.000 2.469 231 V HA -0.527 3.889 4.120 0.493 0.000 0.251 231 V C 1.324 177.578 176.094 0.267 0.000 1.064 231 V CA 3.900 66.411 62.300 0.351 0.000 1.066 231 V CB -0.274 31.683 31.823 0.224 0.000 0.667 231 V HN 0.192 8.617 8.190 0.392 0.000 0.461 232 c N -3.825 114.867 118.600 0.155 0.000 2.409 232 c HA -0.203 4.411 4.570 0.073 0.000 0.284 232 c C 1.501 175.611 174.090 0.034 0.000 1.354 232 c CA 1.482 57.854 56.329 0.073 0.000 1.787 232 c CB -2.071 40.450 42.510 0.019 0.000 1.900 232 c HN 0.492 8.793 8.230 0.147 0.018 0.520 233 N N 0.795 119.487 118.700 -0.013 0.000 2.467 233 N HA -0.063 4.588 4.740 -0.147 0.000 0.184 233 N C 0.072 175.356 175.510 -0.376 0.000 1.106 233 N CA 0.858 53.767 53.050 -0.236 0.000 0.892 233 N CB -0.086 38.136 38.487 -0.442 0.000 0.969 233 N HN -0.397 7.989 8.380 0.072 0.037 0.454 234 Y N -4.347 116.031 120.300 0.130 0.000 2.612 234 Y HA 0.184 4.883 4.550 0.249 0.000 0.250 234 Y C -0.135 175.900 175.900 0.227 0.000 1.175 234 Y CA -0.839 57.399 58.100 0.229 0.000 1.205 234 Y CB -0.181 38.461 38.460 0.303 0.000 1.201 234 Y HN -0.038 8.186 8.280 0.210 0.182 0.532 235 V N 0.660 120.703 119.914 0.215 0.000 2.343 235 V HA -0.527 3.676 4.120 0.139 0.000 0.247 235 V C 1.493 177.650 176.094 0.104 0.000 1.051 235 V CA 5.066 67.447 62.300 0.135 0.000 1.036 235 V CB -0.566 31.300 31.823 0.072 0.000 0.654 235 V HN -0.635 7.646 8.190 0.150 0.000 0.451 236 S N 0.093 115.860 115.700 0.113 0.000 2.368 236 S HA -0.317 4.173 4.470 0.034 0.000 0.224 236 S C 1.962 176.632 174.600 0.117 0.000 1.029 236 S CA 2.927 61.178 58.200 0.084 0.000 0.988 236 S CB -0.429 62.820 63.200 0.080 0.000 0.838 236 S HN -0.054 8.322 8.310 0.111 0.000 0.462 237 W N 4.328 125.665 121.300 0.062 0.000 2.358 237 W HA -0.143 4.534 4.660 0.028 0.000 0.303 237 W C 1.644 178.175 176.519 0.019 0.000 1.208 237 W CA 2.894 60.280 57.345 0.068 0.000 1.274 237 W CB -0.263 29.315 29.460 0.196 0.000 1.138 237 W HN -0.330 8.078 8.180 0.380 0.000 0.515 238 I N -0.521 119.978 120.570 -0.119 0.000 2.142 238 I HA -0.748 2.920 4.170 -0.837 0.000 0.240 238 I C 1.903 177.769 176.117 -0.418 0.000 1.078 238 I CA 4.493 65.549 61.300 -0.407 0.000 1.343 238 I CB -0.236 37.709 38.000 -0.093 0.000 1.046 238 I HN 0.128 8.466 8.210 0.227 0.008 0.405 239 K N -1.335 118.928 120.400 -0.229 0.000 2.057 239 K HA -0.449 3.724 4.320 -0.244 0.000 0.207 239 K C 2.797 179.251 176.600 -0.244 0.000 1.049 239 K CA 3.719 59.880 56.287 -0.210 0.000 0.931 239 K CB -0.219 32.218 32.500 -0.106 0.000 0.714 239 K HN -0.007 8.170 8.250 -0.120 0.000 0.440 240 Q N -1.741 117.929 119.800 -0.218 0.000 2.079 240 Q HA -0.272 3.981 4.340 -0.144 0.000 0.200 240 Q C 2.478 178.307 176.000 -0.285 0.000 0.974 240 Q CA 3.450 59.139 55.803 -0.190 0.000 0.840 240 Q CB 0.157 28.835 28.738 -0.099 0.000 0.898 240 Q HN 0.083 8.245 8.270 -0.180 0.000 0.430 241 T N 2.513 116.783 114.554 -0.473 0.000 2.777 241 T HA -0.271 3.864 4.350 -0.357 0.000 0.266 241 T C 2.271 176.609 174.700 -0.604 0.000 1.040 241 T CA 4.684 66.453 62.100 -0.552 0.000 1.141 241 T CB 0.025 68.330 68.868 -0.938 0.000 0.868 241 T HN -0.008 7.893 8.240 -0.566 0.000 0.444 242 I N -3.373 116.711 120.570 -0.810 0.000 2.676 242 I HA -0.108 3.125 4.170 -1.561 0.000 0.259 242 I C 1.110 176.964 176.117 -0.438 0.000 1.194 242 I CA 2.663 63.319 61.300 -1.073 0.000 1.473 242 I CB -0.340 36.852 38.000 -1.347 0.000 1.096 242 I HN -0.145 7.610 8.210 -0.758 0.000 0.443 243 A N 0.768 123.411 122.820 -0.296 0.000 2.067 243 A HA -0.049 4.215 4.320 -0.094 0.000 0.217 243 A C 0.828 178.366 177.584 -0.077 0.000 1.156 243 A CA 2.267 54.223 52.037 -0.136 0.000 0.683 243 A CB -0.394 18.538 19.000 -0.113 0.000 0.808 243 A HN -0.276 7.641 8.150 -0.339 0.029 0.455 244 S N -3.163 112.477 115.700 -0.100 0.000 2.557 244 S HA 0.138 4.597 4.470 -0.019 0.000 0.223 244 S C -0.893 173.714 174.600 0.012 0.000 0.969 244 S CA 0.482 58.658 58.200 -0.040 0.000 0.927 244 S CB 0.474 63.642 63.200 -0.053 0.000 0.806 244 S HN -0.432 7.635 8.310 -0.175 0.138 0.489 245 N N 0.000 118.735 118.700 0.058 0.000 1.763 245 N HA 0.000 4.822 4.740 0.136 0.000 0.220 245 N CA 0.000 53.167 53.050 0.194 0.000 0.885 245 N CB 0.000 38.658 38.487 0.285 0.000 1.341 245 N HN 0.000 8.328 8.380 0.022 0.065 0.667