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 1o3m_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 4.184 4.170 0.023 0.000 0.288 16 I C 0.000 176.108 176.117 -0.015 0.000 1.063 16 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.068 0.000 1.214 17 V N 5.200 125.116 119.914 0.003 0.000 2.459 17 V HA 0.283 4.524 4.120 -0.017 -0.131 0.295 17 V C 0.554 176.647 176.094 -0.001 0.000 1.029 17 V CA -1.673 60.625 62.300 -0.004 0.000 0.874 17 V CB 1.296 33.123 31.823 0.007 0.000 0.985 17 V HN 0.850 9.054 8.190 0.024 0.000 0.438 18 G N 6.542 115.336 108.800 -0.010 0.000 2.153 18 G HA2 -0.393 3.558 3.960 -0.016 0.000 0.252 18 G HA3 -0.393 3.697 3.960 -0.032 -0.149 0.252 18 G C -0.583 174.322 174.900 0.007 0.000 0.994 18 G CA 0.484 45.575 45.100 -0.015 0.000 0.698 18 G HN 0.763 9.045 8.290 -0.013 0.000 0.521 19 G N -1.060 107.744 108.800 0.006 0.000 2.606 19 G HA2 0.495 4.489 3.960 0.080 0.000 0.262 19 G HA3 0.495 4.494 3.960 -0.090 -0.093 0.262 19 G C -1.706 173.239 174.900 0.075 0.000 1.394 19 G CA -1.068 44.037 45.100 0.008 0.000 1.044 19 G HN -0.668 7.576 8.290 -0.013 0.038 0.553 20 Y N -6.208 114.071 120.300 -0.036 0.000 2.665 20 Y HA 0.393 4.924 4.550 -0.032 0.000 0.336 20 Y C -1.778 174.094 175.900 -0.046 0.000 1.085 20 Y CA -2.881 55.197 58.100 -0.036 0.000 1.096 20 Y CB 1.033 39.476 38.460 -0.030 0.000 1.301 20 Y HN 0.274 8.128 8.280 -0.535 0.105 0.493 21 T N 2.549 117.174 114.554 0.118 0.000 2.779 21 T HA 0.103 4.532 4.350 -0.082 -0.128 0.296 21 T C -0.068 174.665 174.700 0.055 0.000 0.938 21 T CA 1.225 63.334 62.100 0.016 0.000 1.119 21 T CB -0.195 68.704 68.868 0.051 0.000 0.891 21 T HN 0.107 8.468 8.240 0.202 0.000 0.526 22 c N 5.794 124.328 118.600 -0.110 0.000 2.413 22 c HA -0.159 4.421 4.570 0.016 0.000 0.276 22 c C 0.331 174.445 174.090 0.040 0.000 1.248 22 c CA 0.878 57.174 56.329 -0.056 0.000 1.742 22 c CB -0.107 42.298 42.510 -0.175 0.000 2.017 22 c HN 0.110 8.218 8.230 -0.203 0.000 0.481 23 G N -2.243 106.564 108.800 0.011 0.000 2.885 23 G HA2 -0.169 3.808 3.960 0.030 0.000 0.685 23 G HA3 -0.169 3.812 3.960 0.035 0.000 0.685 23 G C -1.903 173.000 174.900 0.005 0.000 1.216 23 G CA -0.836 44.279 45.100 0.024 0.000 0.790 23 G HN -0.349 7.930 8.290 -0.018 0.000 0.631 24 A N 3.959 126.789 122.820 0.017 0.000 2.566 24 A HA -0.236 4.324 4.320 0.029 -0.222 0.245 24 A C -0.139 177.451 177.584 0.010 0.000 1.056 24 A CA 1.120 53.170 52.037 0.021 0.000 0.757 24 A CB 0.036 19.054 19.000 0.029 0.000 0.979 24 A HN 0.336 8.500 8.150 0.023 0.000 0.508 25 N N -2.628 116.076 118.700 0.006 0.000 2.693 25 N HA -0.377 4.354 4.740 -0.014 0.000 0.249 25 N C 0.428 175.921 175.510 -0.029 0.000 1.119 25 N CA 1.622 54.667 53.050 -0.009 0.000 0.717 25 N CB -1.051 37.441 38.487 0.009 0.000 1.071 25 N HN 0.556 8.948 8.380 0.019 0.000 0.555 26 T N -3.587 110.942 114.554 -0.042 0.000 3.100 26 T HA 0.018 4.362 4.350 -0.010 0.000 0.253 26 T C -0.048 174.602 174.700 -0.083 0.000 1.118 26 T CA 2.024 64.104 62.100 -0.033 0.000 1.058 26 T CB 0.490 69.353 68.868 -0.008 0.000 0.953 26 T HN -0.543 7.636 8.240 -0.045 0.033 0.515 27 V N 2.346 122.149 119.914 -0.184 0.000 2.320 27 V HA 0.372 4.254 4.120 -0.398 0.000 0.257 27 V C -1.512 174.278 176.094 -0.506 0.000 0.996 27 V CA -3.393 58.645 62.300 -0.437 0.000 0.928 27 V CB 0.666 32.206 31.823 -0.471 0.000 1.169 27 V HN -0.538 7.494 8.190 -0.157 0.064 0.475 28 P HA 0.046 4.504 4.420 -0.085 -0.089 0.226 28 P C 0.192 177.446 177.300 -0.077 0.000 1.153 28 P CA 1.624 64.656 63.100 -0.113 0.000 0.777 28 P CB 0.134 31.841 31.700 0.012 0.000 0.794 29 Y N -5.849 114.478 120.300 0.044 0.000 2.466 29 Y HA 0.467 5.195 4.550 0.057 -0.144 0.272 29 Y C -0.608 175.330 175.900 0.064 0.000 1.169 29 Y CA -3.179 54.953 58.100 0.052 0.000 1.285 29 Y CB -1.416 37.071 38.460 0.045 0.000 1.078 29 Y HN -0.415 7.307 8.280 -0.852 0.047 0.523 30 Q N 2.720 122.380 119.800 -0.234 0.000 2.304 30 Q HA 0.177 4.699 4.340 0.089 -0.129 0.260 30 Q C -0.329 175.757 176.000 0.142 0.000 0.965 30 Q CA 0.119 55.904 55.803 -0.031 0.000 0.898 30 Q CB 1.017 29.642 28.738 -0.189 0.000 1.196 30 Q HN -0.660 7.236 8.270 -0.518 0.063 0.402 31 V N 1.525 121.558 119.914 0.197 0.000 3.046 31 V HA 0.818 5.161 4.120 0.175 -0.117 0.316 31 V C -1.886 174.344 176.094 0.227 0.000 1.104 31 V CA -2.928 59.477 62.300 0.175 0.000 1.006 31 V CB 3.922 35.799 31.823 0.089 0.000 1.058 31 V HN 0.265 8.570 8.190 0.191 0.000 0.440 32 S N 0.700 116.434 115.700 0.056 0.000 2.473 32 S HA 0.427 5.113 4.470 0.180 -0.108 0.307 32 S C -1.061 173.400 174.600 -0.232 0.000 1.094 32 S CA -2.170 56.003 58.200 -0.045 0.000 1.070 32 S CB 1.564 64.528 63.200 -0.394 0.000 1.019 32 S HN -0.023 8.281 8.310 -0.010 0.000 0.480 33 L N 7.401 128.350 121.223 -0.457 0.000 2.275 33 L HA 0.501 4.723 4.340 -0.407 -0.126 0.288 33 L C -1.507 174.845 176.870 -0.864 0.000 1.046 33 L CA -0.741 53.695 54.840 -0.673 0.000 0.805 33 L CB 0.835 42.322 42.059 -0.953 0.000 1.193 33 L HN 0.775 8.693 8.230 -0.520 0.000 0.426 38 G N 0.002 108.717 108.800 -0.142 0.000 2.179 38 G HA2 -0.294 3.656 3.960 -0.016 0.000 0.220 38 G HA3 -0.294 3.733 3.960 0.112 0.000 0.220 38 G C -1.538 173.451 174.900 0.148 0.000 0.990 38 G CA 0.387 45.504 45.100 0.027 0.000 0.646 38 G HN 0.248 8.774 8.290 -0.188 -0.349 0.517 39 Y N -7.288 112.989 120.300 -0.038 0.000 2.732 39 Y HA 0.197 4.709 4.550 -0.064 0.000 0.342 39 Y C -2.540 173.352 175.900 -0.014 0.000 1.203 39 Y CA -3.491 54.587 58.100 -0.037 0.000 1.092 39 Y CB 0.682 39.122 38.460 -0.033 0.000 1.345 39 Y HN -1.180 6.893 8.280 -0.376 -0.019 0.458 40 H N 2.270 121.269 119.070 -0.118 0.000 2.690 40 H HA 0.062 4.554 4.556 -0.408 -0.181 0.314 40 H C -0.733 174.548 175.328 -0.077 0.000 1.069 40 H CA 0.112 56.011 56.048 -0.247 0.000 1.436 40 H CB 0.452 30.065 29.762 -0.249 0.000 1.462 40 H HN 0.207 8.580 8.280 0.154 0.000 0.511 41 F N 1.135 120.662 119.950 -0.705 0.000 2.819 41 F HA 0.352 4.792 4.527 -0.146 0.000 0.325 41 F C -1.627 173.913 175.800 -0.435 0.000 1.041 41 F CA -0.288 57.482 58.000 -0.384 0.000 1.184 41 F CB 1.836 40.670 39.000 -0.277 0.000 1.019 41 F HN -0.254 7.283 8.300 -1.272 0.000 0.590 42 c N -1.708 116.234 118.600 -1.097 0.000 3.321 42 c HA 0.362 4.807 4.570 -0.207 0.000 0.329 42 c C -1.666 172.211 174.090 -0.356 0.000 1.394 42 c CA -0.267 55.757 56.329 -0.509 0.000 1.291 42 c CB 4.112 46.417 42.510 -0.342 0.000 1.606 42 c HN -0.837 6.413 8.230 -1.634 0.000 0.463 43 G N -1.017 107.772 108.800 -0.018 0.000 2.705 43 G HA2 0.821 5.072 3.960 0.238 0.000 0.299 43 G HA3 0.821 4.920 3.960 0.231 0.000 0.299 43 G C -2.572 172.356 174.900 0.047 0.000 1.315 43 G CA -1.690 43.499 45.100 0.149 0.000 1.045 43 G HN 0.779 9.069 8.290 0.000 0.000 0.517 44 G N -4.042 104.818 108.800 0.099 0.000 2.506 44 G HA2 0.531 4.825 3.960 0.074 0.000 0.292 44 G HA3 0.531 4.524 3.960 0.054 0.000 0.292 44 G C -2.894 172.091 174.900 0.142 0.000 1.425 44 G CA 0.303 45.454 45.100 0.085 0.000 0.788 44 G HN -0.606 7.778 8.290 0.157 0.000 0.490 45 S N -0.496 115.293 115.700 0.148 0.000 2.521 45 S HA 0.789 5.612 4.470 0.280 -0.185 0.295 45 S C -1.338 173.365 174.600 0.173 0.000 1.098 45 S CA -0.910 57.412 58.200 0.205 0.000 0.999 45 S CB 3.727 67.030 63.200 0.172 0.000 1.034 45 S HN 0.427 8.810 8.310 0.122 0.000 0.483 46 L N 6.179 127.521 121.223 0.198 0.000 2.315 46 L HA 0.179 4.606 4.340 0.144 0.000 0.283 46 L C -0.759 176.194 176.870 0.139 0.000 1.089 46 L CA -0.211 54.725 54.840 0.160 0.000 0.833 46 L CB 0.927 43.081 42.059 0.157 0.000 1.170 46 L HN 0.433 8.823 8.230 0.266 0.000 0.442 47 I N 0.423 121.071 120.570 0.130 0.000 4.070 47 I HA 0.482 4.846 4.170 0.063 -0.156 0.328 47 I C -0.875 175.300 176.117 0.097 0.000 1.298 47 I CA -0.501 60.854 61.300 0.091 0.000 1.173 47 I CB 0.787 38.831 38.000 0.073 0.000 1.051 47 I HN 0.143 8.447 8.210 0.157 0.000 0.409 48 N N -2.395 116.385 118.700 0.133 0.000 3.179 48 N HA 0.180 4.976 4.740 0.092 0.000 0.250 48 N C -0.555 175.031 175.510 0.127 0.000 1.507 48 N CA -0.614 52.511 53.050 0.125 0.000 0.883 48 N CB 0.841 39.416 38.487 0.146 0.000 1.435 48 N HN -0.925 7.549 8.380 0.158 0.000 0.532 49 S N -3.554 112.208 115.700 0.103 0.000 2.507 49 S HA -0.287 4.223 4.470 0.066 0.000 0.235 49 S C 0.741 175.370 174.600 0.047 0.000 0.988 49 S CA 2.669 60.911 58.200 0.070 0.000 0.944 49 S CB -0.070 63.160 63.200 0.050 0.000 0.762 49 S HN 0.375 8.744 8.310 0.098 0.000 0.526 50 Q N -0.179 119.660 119.800 0.063 0.000 2.127 50 Q HA 0.353 4.629 4.340 -0.106 0.000 0.222 50 Q C -2.207 173.650 176.000 -0.237 0.000 0.794 50 Q CA -0.522 55.220 55.803 -0.102 0.000 1.010 50 Q CB 2.639 31.282 28.738 -0.157 0.000 1.170 50 Q HN 0.216 8.914 8.270 0.159 -0.332 0.479 51 W N -2.022 119.282 121.300 0.008 0.000 2.915 51 W HA 0.697 5.556 4.660 0.004 -0.197 0.337 51 W C -1.470 175.060 176.519 0.019 0.000 1.102 51 W CA -1.088 56.260 57.345 0.005 0.000 1.224 51 W CB 3.769 33.222 29.460 -0.012 0.000 1.416 51 W HN -0.308 8.151 8.180 0.236 -0.136 0.503 52 V N 1.232 121.298 119.914 0.254 0.000 2.769 52 V HA 0.782 5.168 4.120 0.165 -0.168 0.312 52 V C -1.458 174.746 176.094 0.184 0.000 1.061 52 V CA -1.750 60.653 62.300 0.172 0.000 0.931 52 V CB 3.631 35.513 31.823 0.098 0.000 1.010 52 V HN 0.793 9.143 8.190 0.267 0.000 0.433 53 V N 5.262 125.262 119.914 0.144 0.000 2.555 53 V HA 0.710 5.080 4.120 0.152 -0.159 0.302 53 V C -1.336 174.815 176.094 0.095 0.000 1.038 53 V CA -1.187 61.191 62.300 0.130 0.000 0.887 53 V CB 2.442 34.335 31.823 0.117 0.000 0.991 53 V HN 0.606 8.877 8.190 0.134 0.000 0.434 54 S N 4.495 120.239 115.700 0.073 0.000 2.973 54 S HA 0.553 5.239 4.470 0.029 -0.198 0.317 54 S C -2.036 172.552 174.600 -0.020 0.000 1.196 54 S CA -2.566 55.647 58.200 0.022 0.000 0.894 54 S CB 2.428 65.629 63.200 0.001 0.000 1.292 54 S HN 0.746 9.111 8.310 0.091 0.000 0.614 55 A N -0.681 122.081 122.820 -0.096 0.000 2.312 55 A HA 0.430 4.822 4.320 -0.122 -0.145 0.328 55 A C 0.467 177.920 177.584 -0.217 0.000 1.158 55 A CA -1.631 50.302 52.037 -0.173 0.000 0.821 55 A CB 1.681 20.499 19.000 -0.303 0.000 1.170 55 A HN 0.261 8.342 8.150 -0.114 0.000 0.490 56 A N 4.729 127.365 122.820 -0.305 0.000 1.972 56 A HA -0.258 3.908 4.320 -0.257 0.000 0.219 56 A C 1.421 178.777 177.584 -0.381 0.000 1.169 56 A CA 2.901 54.642 52.037 -0.493 0.000 0.635 56 A CB -0.418 17.858 19.000 -1.206 0.000 0.810 56 A HN 0.623 8.621 8.150 -0.293 -0.024 0.446 57 H N -4.848 114.065 119.070 -0.261 0.000 2.559 57 H HA -0.088 4.506 4.556 0.064 0.000 0.273 57 H C 0.254 175.628 175.328 0.077 0.000 1.000 57 H CA 1.590 57.643 56.048 0.009 0.000 1.195 57 H CB -1.085 28.747 29.762 0.117 0.000 1.368 57 H HN -0.003 8.431 8.280 -0.209 -0.279 0.592 58 c N -1.818 116.722 118.600 -0.100 0.000 2.697 58 c HA 0.014 4.668 4.570 0.139 0.000 0.267 58 c C 0.395 174.563 174.090 0.129 0.000 1.278 58 c CA 0.098 56.458 56.329 0.052 0.000 1.708 58 c CB -1.531 40.969 42.510 -0.018 0.000 1.860 58 c HN -0.204 7.720 8.230 -0.201 0.185 0.589 59 Y N 3.116 123.418 120.300 0.003 0.000 2.717 59 Y HA -0.277 4.290 4.550 0.029 0.000 0.330 59 Y C -1.072 174.808 175.900 -0.033 0.000 1.217 59 Y CA 2.054 60.156 58.100 0.004 0.000 1.506 59 Y CB 0.531 38.983 38.460 -0.013 0.000 1.268 59 Y HN -0.566 7.631 8.280 0.157 0.178 0.561 60 K N 6.357 126.064 120.400 -1.154 0.000 2.672 60 K HA 0.210 4.092 4.320 -0.731 0.000 0.295 60 K C -2.250 173.862 176.600 -0.814 0.000 1.042 60 K CA -0.997 54.785 56.287 -0.842 0.000 0.869 60 K CB 2.529 34.682 32.500 -0.578 0.000 1.541 60 K HN -0.150 7.383 8.250 -1.196 0.000 0.396 61 S N -0.299 115.127 115.700 -0.456 0.000 2.722 61 S HA 0.154 4.459 4.470 -0.275 0.000 0.292 61 S C 0.779 175.256 174.600 -0.205 0.000 1.135 61 S CA -0.347 57.694 58.200 -0.266 0.000 1.003 61 S CB 1.255 64.382 63.200 -0.123 0.000 1.067 61 S HN -0.173 7.928 8.310 -0.347 0.000 0.546 62 G N -0.322 108.397 108.800 -0.134 0.000 2.212 62 G HA2 -0.164 3.747 3.960 -0.082 0.000 0.255 62 G HA3 -0.164 3.727 3.960 -0.115 0.000 0.255 62 G C -1.411 173.429 174.900 -0.101 0.000 1.062 62 G CA 0.062 45.097 45.100 -0.108 0.000 0.815 62 G HN 0.316 8.541 8.290 -0.108 0.000 0.497 63 I N -0.962 119.559 120.570 -0.083 0.000 2.353 63 I HA 0.121 4.429 4.170 0.016 -0.129 0.293 63 I C -1.640 174.435 176.117 -0.070 0.000 0.992 63 I CA -0.781 60.498 61.300 -0.035 0.000 1.268 63 I CB 0.792 38.790 38.000 -0.002 0.000 1.387 63 I HN -0.490 7.665 8.210 -0.092 0.000 0.478 64 Q N 7.292 127.031 119.800 -0.102 0.000 3.018 64 Q HA 0.553 4.928 4.340 -0.096 -0.094 0.209 64 Q C -1.626 174.274 176.000 -0.167 0.000 1.036 64 Q CA -1.965 53.758 55.803 -0.134 0.000 0.886 64 Q CB 4.262 32.884 28.738 -0.192 0.000 2.058 64 Q HN 0.549 8.757 8.270 -0.103 0.000 0.452 65 R N -2.557 117.875 120.500 -0.113 0.000 3.008 65 R HA 0.413 4.999 4.340 0.133 -0.166 0.284 65 R C -1.339 174.992 176.300 0.052 0.000 1.187 65 R CA 0.024 56.106 56.100 -0.030 0.000 1.139 65 R CB 2.356 32.500 30.300 -0.260 0.000 1.273 65 R HN 0.559 8.742 8.270 -0.146 0.000 0.410 70 E N -0.647 119.641 120.200 0.146 0.000 2.319 70 E HA 0.105 4.525 4.350 0.117 0.000 0.268 70 E C -1.649 175.126 176.600 0.292 0.000 1.050 70 E CA 0.458 56.959 56.400 0.167 0.000 0.878 70 E CB 1.423 31.151 29.700 0.047 0.000 1.066 70 E HN -0.549 7.871 8.360 0.164 0.039 0.406 71 D N 0.922 121.477 120.400 0.258 0.000 2.912 71 D HA 0.049 4.904 4.640 0.358 0.000 0.170 71 D C -1.169 175.325 176.300 0.323 0.000 1.484 71 D CA 0.882 55.051 54.000 0.281 0.000 1.542 71 D CB 2.301 43.182 40.800 0.135 0.000 1.344 71 D HN 0.086 8.556 8.370 0.166 0.000 0.222 72 N N 1.283 120.083 118.700 0.167 0.000 2.405 72 N HA 0.129 5.098 4.740 0.173 -0.126 0.260 72 N C 2.099 177.616 175.510 0.011 0.000 1.152 72 N CA -0.297 52.823 53.050 0.117 0.000 0.948 72 N CB 0.422 38.952 38.487 0.073 0.000 1.111 72 N HN -0.621 8.084 8.380 0.122 -0.251 0.485 73 I N 0.795 121.283 120.570 -0.136 0.000 3.444 73 I HA -0.096 4.061 4.170 -0.268 -0.147 0.287 73 I C -0.618 175.415 176.117 -0.140 0.000 1.302 73 I CA 1.262 62.382 61.300 -0.299 0.000 1.368 73 I CB -0.854 36.728 38.000 -0.696 0.000 1.048 73 I HN 0.397 8.539 8.210 -0.113 0.000 0.487 74 N N -2.238 116.427 118.700 -0.057 0.000 2.220 74 N HA 0.128 4.854 4.740 -0.024 0.000 0.195 74 N C -0.822 174.696 175.510 0.013 0.000 1.123 74 N CA 0.135 53.175 53.050 -0.016 0.000 0.874 74 N CB 2.117 40.605 38.487 0.001 0.000 0.995 74 N HN -0.194 8.408 8.380 -0.036 -0.243 0.498 75 V N 0.454 120.380 119.914 0.020 0.000 2.604 75 V HA 0.047 4.183 4.120 0.027 0.000 0.305 75 V C -1.347 174.766 176.094 0.033 0.000 1.043 75 V CA -1.089 61.228 62.300 0.028 0.000 0.888 75 V CB 2.875 34.713 31.823 0.026 0.000 0.995 75 V HN -0.867 7.381 8.190 0.012 -0.051 0.429 76 V N 7.545 127.473 119.914 0.025 0.000 2.389 76 V HA -0.171 4.173 4.120 0.009 -0.218 0.264 76 V C 0.115 176.202 176.094 -0.011 0.000 1.049 76 V CA 0.661 62.959 62.300 -0.002 0.000 0.932 76 V CB -0.134 31.668 31.823 -0.036 0.000 1.011 76 V HN 0.290 8.492 8.190 0.022 0.000 0.475 77 E N 8.018 128.214 120.200 -0.007 0.000 2.489 77 E HA 0.136 4.485 4.350 -0.003 0.000 0.204 77 E C -0.226 176.365 176.600 -0.015 0.000 1.006 77 E CA -0.438 55.960 56.400 -0.003 0.000 0.936 77 E CB 0.749 30.458 29.700 0.015 0.000 1.002 77 E HN 0.362 9.160 8.360 -0.003 -0.440 0.488 78 G N 0.177 108.956 108.800 -0.034 0.000 2.617 78 G HA2 -0.222 3.699 3.960 -0.065 0.000 0.686 78 G HA3 -0.222 3.720 3.960 -0.030 0.000 0.686 78 G C -1.671 173.209 174.900 -0.034 0.000 1.214 78 G CA -0.695 44.379 45.100 -0.043 0.000 0.796 78 G HN -0.445 8.081 8.290 -0.046 -0.264 0.654 79 N N -3.558 115.116 118.700 -0.042 0.000 2.980 79 N HA -0.273 4.452 4.740 -0.025 0.000 0.213 79 N C -0.916 174.575 175.510 -0.031 0.000 0.892 79 N CA 1.301 54.336 53.050 -0.025 0.000 1.025 79 N CB -0.276 38.212 38.487 0.000 0.000 1.030 79 N HN 0.163 8.510 8.380 -0.055 0.000 0.585 80 E N -0.803 119.354 120.200 -0.070 0.000 2.383 80 E HA 0.122 4.718 4.350 0.016 -0.236 0.264 80 E C -0.175 176.338 176.600 -0.145 0.000 1.050 80 E CA 0.784 57.134 56.400 -0.084 0.000 0.896 80 E CB 0.433 30.008 29.700 -0.209 0.000 0.982 80 E HN -0.183 8.031 8.360 -0.089 0.093 0.424 81 Q N 1.894 121.680 119.800 -0.022 0.000 2.274 81 Q HA 0.270 4.549 4.340 -0.102 0.000 0.268 81 Q C -1.520 174.607 176.000 0.212 0.000 1.015 81 Q CA -1.187 54.613 55.803 -0.004 0.000 0.775 81 Q CB 3.007 31.760 28.738 0.024 0.000 1.256 81 Q HN 0.232 8.559 8.270 0.094 0.000 0.442 82 F N 3.646 123.573 119.950 -0.038 0.000 2.402 82 F HA 0.426 5.096 4.527 -0.056 -0.177 0.355 82 F C -0.250 175.523 175.800 -0.045 0.000 1.123 82 F CA -2.945 55.026 58.000 -0.048 0.000 1.021 82 F CB 0.878 39.849 39.000 -0.050 0.000 1.160 82 F HN 0.389 8.724 8.300 0.058 0.000 0.451 83 I N 4.331 124.969 120.570 0.113 0.000 2.545 83 I HA 0.248 4.443 4.170 0.041 0.000 0.292 83 I C -1.165 174.946 176.117 -0.010 0.000 1.040 83 I CA -1.393 59.928 61.300 0.035 0.000 1.068 83 I CB 3.853 41.860 38.000 0.011 0.000 1.251 83 I HN 0.810 9.073 8.210 0.087 0.000 0.424 84 S N 5.490 121.177 115.700 -0.022 0.000 2.603 84 S HA 0.067 4.506 4.470 -0.053 0.000 0.268 84 S C -0.485 174.078 174.600 -0.062 0.000 1.317 84 S CA 0.768 58.941 58.200 -0.044 0.000 1.012 84 S CB 0.986 64.164 63.200 -0.038 0.000 0.926 84 S HN 0.444 8.747 8.310 -0.012 0.000 0.539 85 A N 2.841 125.621 122.820 -0.067 0.000 2.363 85 A HA 0.168 4.527 4.320 -0.101 -0.099 0.270 85 A C -0.201 177.334 177.584 -0.080 0.000 1.121 85 A CA -0.288 51.701 52.037 -0.080 0.000 0.800 85 A CB 0.562 19.526 19.000 -0.059 0.000 1.052 85 A HN -0.174 7.938 8.150 -0.063 0.000 0.493 86 S N 3.453 119.086 115.700 -0.112 0.000 2.439 86 S HA 0.035 4.464 4.470 -0.068 0.000 0.224 86 S C 0.358 174.919 174.600 -0.065 0.000 1.029 86 S CA 1.459 59.603 58.200 -0.093 0.000 0.946 86 S CB 0.864 63.986 63.200 -0.129 0.000 0.797 86 S HN 0.713 8.818 8.310 -0.160 0.109 0.504 87 K N -0.469 119.889 120.400 -0.071 0.000 2.610 87 K HA 0.246 4.588 4.320 0.036 0.000 0.278 87 K C -2.395 174.234 176.600 0.049 0.000 0.964 87 K CA -0.218 56.073 56.287 0.006 0.000 0.859 87 K CB 3.069 35.580 32.500 0.017 0.000 1.434 87 K HN -0.788 7.389 8.250 -0.123 0.000 0.410 88 S N 1.158 116.944 115.700 0.144 0.000 2.482 88 S HA 0.740 5.480 4.470 0.176 -0.164 0.303 88 S C -0.802 173.930 174.600 0.219 0.000 1.091 88 S CA -0.521 57.805 58.200 0.211 0.000 1.057 88 S CB 2.664 66.053 63.200 0.316 0.000 1.031 88 S HN 0.158 8.571 8.310 0.171 0.000 0.485 89 I N 6.824 127.531 120.570 0.228 0.000 2.437 89 I HA 0.117 4.377 4.170 0.151 0.000 0.279 89 I C -1.578 174.682 176.117 0.239 0.000 1.028 89 I CA -0.790 60.637 61.300 0.211 0.000 1.142 89 I CB 1.551 39.688 38.000 0.229 0.000 1.266 89 I HN 1.038 9.292 8.210 0.254 0.108 0.461 90 V N 7.886 127.872 119.914 0.121 0.000 2.649 90 V HA -0.162 4.007 4.120 0.081 0.000 0.292 90 V C -0.260 175.907 176.094 0.122 0.000 1.055 90 V CA -0.491 61.847 62.300 0.063 0.000 1.023 90 V CB 0.850 32.612 31.823 -0.102 0.000 0.992 90 V HN 0.363 8.577 8.190 0.040 0.000 0.480 91 H N 8.803 127.842 119.070 -0.052 0.000 3.094 91 H HA -0.070 4.228 4.556 -0.431 0.000 0.320 91 H C -0.467 174.813 175.328 -0.079 0.000 1.000 91 H CA 0.617 56.489 56.048 -0.294 0.000 1.413 91 H CB 1.470 30.915 29.762 -0.529 0.000 1.405 91 H HN -0.170 8.141 8.280 0.052 0.000 0.586 92 P HA -0.103 4.317 4.420 0.001 0.000 0.219 92 P C -0.416 176.927 177.300 0.071 0.000 1.146 92 P CA 1.438 64.500 63.100 -0.062 0.000 0.808 92 P CB 0.344 31.986 31.700 -0.095 0.000 0.779 93 S N -3.592 112.265 115.700 0.261 0.000 2.622 93 S HA 0.030 4.560 4.470 0.100 0.000 0.236 93 S C -0.552 174.153 174.600 0.176 0.000 0.956 93 S CA 0.075 58.400 58.200 0.208 0.000 0.971 93 S CB 0.304 63.620 63.200 0.193 0.000 0.782 93 S HN -0.359 8.230 8.310 0.514 0.029 0.468 94 Y N 3.507 123.852 120.300 0.075 0.000 2.511 94 Y HA -0.299 4.410 4.550 -0.044 -0.185 0.332 94 Y C -0.855 175.036 175.900 -0.014 0.000 1.177 94 Y CA 0.760 58.859 58.100 -0.002 0.000 1.422 94 Y CB 0.890 39.352 38.460 0.005 0.000 1.271 94 Y HN -0.736 7.659 8.280 0.326 0.081 0.550 95 N N 7.200 125.520 118.700 -0.633 0.000 2.518 95 N HA 0.206 4.672 4.740 -0.458 0.000 0.254 95 N C -0.291 174.686 175.510 -0.887 0.000 0.979 95 N CA -1.261 51.445 53.050 -0.573 0.000 0.930 95 N CB 1.633 39.948 38.487 -0.288 0.000 1.152 95 N HN -0.200 7.908 8.380 -0.453 0.000 0.505 96 S N 6.652 121.840 115.700 -0.854 0.000 2.515 96 S HA -0.083 4.014 4.470 -0.621 0.000 0.231 96 S C 0.657 175.077 174.600 -0.299 0.000 0.987 96 S CA 2.238 60.111 58.200 -0.545 0.000 0.936 96 S CB -0.206 62.852 63.200 -0.236 0.000 0.766 96 S HN 0.631 8.544 8.310 -0.661 0.000 0.528 97 N N 2.059 120.588 118.700 -0.285 0.000 2.387 97 N HA 0.059 4.678 4.740 -0.202 0.000 0.176 97 N C 1.044 176.394 175.510 -0.266 0.000 1.022 97 N CA 2.226 55.141 53.050 -0.225 0.000 0.883 97 N CB 0.705 39.088 38.487 -0.174 0.000 1.019 97 N HN 0.360 8.799 8.380 -0.316 -0.249 0.435 98 T N -3.840 110.552 114.554 -0.270 0.000 3.014 98 T HA 0.074 4.223 4.350 -0.335 0.000 0.250 98 T C 0.196 174.711 174.700 -0.307 0.000 1.060 98 T CA 0.380 62.311 62.100 -0.281 0.000 1.040 98 T CB 1.711 70.469 68.868 -0.183 0.000 0.971 98 T HN -0.281 8.104 8.240 -0.269 -0.307 0.497 99 L N -3.286 117.791 121.223 -0.244 0.000 4.089 99 L HA -0.509 3.948 4.340 0.067 -0.076 0.408 99 L C -1.897 175.013 176.870 0.067 0.000 1.184 99 L CA 0.421 55.235 54.840 -0.044 0.000 0.947 99 L CB -2.586 39.416 42.059 -0.096 0.000 2.066 99 L HN -0.115 7.894 8.230 -0.293 0.045 0.851 100 N N -1.083 117.607 118.700 -0.016 0.000 2.530 100 N HA -0.152 4.642 4.740 0.090 0.000 0.273 100 N C -0.032 175.527 175.510 0.082 0.000 1.173 100 N CA 0.605 53.680 53.050 0.041 0.000 0.967 100 N CB 1.297 39.779 38.487 -0.009 0.000 1.109 100 N HN -0.725 7.543 8.380 -0.117 0.042 0.453 101 N N -0.954 117.787 118.700 0.069 0.000 2.783 101 N HA -0.472 4.179 4.740 -0.149 0.000 0.247 101 N C -1.580 173.910 175.510 -0.033 0.000 1.089 101 N CA 1.353 54.339 53.050 -0.106 0.000 0.690 101 N CB -1.508 36.814 38.487 -0.276 0.000 0.991 101 N HN 0.609 9.054 8.380 0.109 0.000 0.552 102 D N -1.075 119.348 120.400 0.037 0.000 2.551 102 D HA 0.050 4.654 4.640 -0.060 0.000 0.223 102 D C -1.616 174.584 176.300 -0.166 0.000 1.144 102 D CA -0.298 53.709 54.000 0.012 0.000 1.025 102 D CB -0.653 40.262 40.800 0.190 0.000 1.085 102 D HN -0.160 8.247 8.370 0.062 0.000 0.506 103 I N 2.743 123.156 120.570 -0.260 0.000 2.827 103 I HA 0.532 4.796 4.170 -0.129 -0.171 0.298 103 I C -3.169 172.913 176.117 -0.059 0.000 1.235 103 I CA -1.292 59.892 61.300 -0.194 0.000 1.021 103 I CB 4.069 41.832 38.000 -0.395 0.000 1.259 103 I HN -0.214 7.798 8.210 -0.278 0.032 0.427 104 M N 6.555 126.190 119.600 0.057 0.000 2.484 104 M HA 0.716 5.510 4.480 0.249 -0.164 0.289 104 M C -2.817 173.613 176.300 0.218 0.000 1.206 104 M CA -1.096 54.301 55.300 0.161 0.000 0.892 104 M CB 4.867 37.516 32.600 0.082 0.000 1.712 104 M HN 0.544 8.775 8.290 0.043 0.085 0.462 105 L N 3.048 124.435 121.223 0.273 0.000 2.334 105 L HA 0.835 5.494 4.340 0.255 -0.166 0.276 105 L C -1.358 175.702 176.870 0.317 0.000 1.014 105 L CA -1.465 53.548 54.840 0.288 0.000 0.815 105 L CB 3.366 45.561 42.059 0.227 0.000 1.268 105 L HN 0.384 8.799 8.230 0.309 0.000 0.428 106 I N 1.076 121.817 120.570 0.284 0.000 2.436 106 I HA 0.542 4.945 4.170 0.102 -0.172 0.289 106 I C -1.629 174.437 176.117 -0.085 0.000 1.010 106 I CA -1.299 60.066 61.300 0.108 0.000 1.098 106 I CB 3.051 41.084 38.000 0.054 0.000 1.266 106 I HN 0.735 9.135 8.210 0.316 0.000 0.434 107 K N 6.702 126.854 120.400 -0.413 0.000 2.156 107 K HA 0.625 4.268 4.320 -1.381 -0.152 0.271 107 K C -1.121 175.183 176.600 -0.494 0.000 0.995 107 K CA -1.825 53.859 56.287 -1.004 0.000 0.890 107 K CB 3.041 34.774 32.500 -1.279 0.000 1.073 107 K HN 0.572 8.670 8.250 -0.253 0.000 0.454 108 L N 4.146 125.110 121.223 -0.432 0.000 2.375 108 L HA 0.211 4.554 4.340 -0.174 -0.107 0.271 108 L C 1.896 178.647 176.870 -0.198 0.000 1.107 108 L CA -0.061 54.642 54.840 -0.228 0.000 0.806 108 L CB 0.433 42.400 42.059 -0.155 0.000 1.146 108 L HN 0.796 8.584 8.230 -0.560 0.106 0.447 109 K N 3.627 123.950 120.400 -0.127 0.000 2.026 109 K HA -0.321 3.936 4.320 -0.105 0.000 0.208 109 K C -0.563 175.988 176.600 -0.083 0.000 1.048 109 K CA 2.702 58.932 56.287 -0.095 0.000 0.929 109 K CB 0.388 32.851 32.500 -0.062 0.000 0.713 109 K HN 0.516 8.703 8.250 -0.106 0.000 0.439 110 S N -3.445 112.214 115.700 -0.069 0.000 2.599 110 S HA 0.122 4.561 4.470 -0.051 0.000 0.294 110 S C -1.609 172.960 174.600 -0.053 0.000 1.094 110 S CA -1.062 57.107 58.200 -0.051 0.000 0.931 110 S CB 2.900 66.082 63.200 -0.030 0.000 1.093 110 S HN -0.469 7.801 8.310 -0.066 0.000 0.488 111 A N 0.107 122.904 122.820 -0.037 0.000 2.351 111 A HA -0.002 4.415 4.320 -0.040 -0.121 0.257 111 A C -0.638 176.941 177.584 -0.009 0.000 1.087 111 A CA -0.036 51.986 52.037 -0.025 0.000 0.798 111 A CB 0.820 19.816 19.000 -0.008 0.000 1.033 111 A HN 0.087 8.219 8.150 -0.030 0.000 0.488 112 A N 0.548 123.370 122.820 0.003 0.000 2.322 112 A HA 0.195 4.588 4.320 0.009 -0.068 0.269 112 A C -0.529 177.065 177.584 0.017 0.000 1.094 112 A CA -1.317 50.728 52.037 0.013 0.000 0.807 112 A CB 1.396 20.412 19.000 0.027 0.000 1.047 112 A HN 0.420 8.464 8.150 0.005 0.110 0.487 113 S N 0.665 116.373 115.700 0.014 0.000 2.439 113 S HA 0.070 4.548 4.470 0.013 0.000 0.282 113 S C -0.528 174.085 174.600 0.021 0.000 1.170 113 S CA -0.392 57.816 58.200 0.013 0.000 1.054 113 S CB 0.370 63.572 63.200 0.005 0.000 0.956 113 S HN 0.036 8.698 8.310 0.012 -0.345 0.490 114 L N 6.012 127.251 121.223 0.027 0.000 2.334 114 L HA 0.187 4.646 4.340 0.039 -0.095 0.277 114 L C -0.623 176.264 176.870 0.029 0.000 1.075 114 L CA -0.348 54.513 54.840 0.035 0.000 0.804 114 L CB 0.810 42.894 42.059 0.042 0.000 1.174 114 L HN 0.204 8.449 8.230 0.025 0.000 0.438 115 N N 3.181 121.899 118.700 0.030 0.000 3.662 115 N HA 0.214 4.968 4.740 0.023 0.000 0.343 115 N C -1.263 174.265 175.510 0.030 0.000 1.583 115 N CA -0.496 52.569 53.050 0.025 0.000 0.710 115 N CB 0.559 39.056 38.487 0.017 0.000 2.746 115 N HN 0.407 8.809 8.380 0.036 0.000 0.577 116 S N -2.761 112.954 115.700 0.026 0.000 2.470 116 S HA -0.021 4.471 4.470 0.035 0.000 0.222 116 S C 0.742 175.359 174.600 0.028 0.000 1.024 116 S CA 1.729 59.946 58.200 0.029 0.000 0.931 116 S CB 0.439 63.652 63.200 0.023 0.000 0.791 116 S HN -0.021 8.301 8.310 0.020 0.000 0.513 117 R N -0.623 119.891 120.500 0.023 0.000 2.200 117 R HA 0.064 4.413 4.340 0.015 0.000 0.208 117 R C -1.094 175.222 176.300 0.026 0.000 1.033 117 R CA 0.637 56.749 56.100 0.020 0.000 1.000 117 R CB 0.781 31.090 30.300 0.016 0.000 0.906 117 R HN -0.054 8.473 8.270 0.021 -0.245 0.462 118 V N -2.123 117.812 119.914 0.035 0.000 2.443 118 V HA 0.203 4.523 4.120 0.048 -0.172 0.293 118 V C -2.152 173.979 176.094 0.063 0.000 1.021 118 V CA -1.065 61.264 62.300 0.048 0.000 0.848 118 V CB 2.764 34.614 31.823 0.044 0.000 0.998 118 V HN -0.293 8.139 8.190 0.033 -0.223 0.424 119 A N 6.353 129.228 122.820 0.091 0.000 2.587 119 A HA 0.495 4.866 4.320 0.084 0.000 0.293 119 A C -2.827 174.847 177.584 0.150 0.000 1.087 119 A CA -0.973 51.129 52.037 0.108 0.000 0.692 119 A CB 3.228 22.295 19.000 0.111 0.000 1.291 119 A HN 0.110 8.208 8.150 0.100 0.112 0.407 120 S N -1.707 114.067 115.700 0.123 0.000 2.713 120 S HA 0.598 5.292 4.470 0.163 -0.126 0.283 120 S C -0.741 173.912 174.600 0.088 0.000 1.161 120 S CA -0.981 57.293 58.200 0.123 0.000 0.999 120 S CB 1.792 65.045 63.200 0.088 0.000 1.039 120 S HN -0.015 8.352 8.310 0.095 0.000 0.548 121 I N 0.163 120.739 120.570 0.011 0.000 2.693 121 I HA 0.246 4.348 4.170 -0.113 0.000 0.303 121 I C -1.149 174.918 176.117 -0.083 0.000 1.025 121 I CA -1.600 59.614 61.300 -0.142 0.000 1.086 121 I CB 4.085 41.787 38.000 -0.497 0.000 1.268 121 I HN 0.218 8.449 8.210 0.035 0.000 0.440 122 S N 5.849 121.500 115.700 -0.083 0.000 2.601 122 S HA 0.230 4.684 4.470 -0.027 0.000 0.271 122 S C -0.633 173.939 174.600 -0.046 0.000 1.305 122 S CA -0.232 57.940 58.200 -0.046 0.000 1.022 122 S CB 0.828 64.006 63.200 -0.037 0.000 0.940 122 S HN 0.183 8.432 8.310 -0.103 0.000 0.525 123 L N 2.562 123.772 121.223 -0.022 0.000 2.418 123 L HA 0.162 4.501 4.340 -0.002 0.000 0.265 123 L C -1.392 175.474 176.870 -0.007 0.000 1.143 123 L CA -2.009 52.828 54.840 -0.004 0.000 0.809 123 L CB 0.171 42.236 42.059 0.010 0.000 1.124 123 L HN 0.212 8.432 8.230 -0.016 0.000 0.456 124 P HA 0.144 4.553 4.420 -0.019 0.000 0.278 124 P C -1.259 176.039 177.300 -0.003 0.000 1.258 124 P CA -0.780 62.315 63.100 -0.008 0.000 0.811 124 P CB 0.820 32.514 31.700 -0.010 0.000 1.063 128 c N 0.775 119.348 118.600 -0.045 0.000 2.595 128 c HA 0.041 4.570 4.570 -0.068 0.000 0.384 128 c C 0.151 174.179 174.090 -0.103 0.000 1.289 128 c CA -0.573 55.714 56.329 -0.071 0.000 2.372 128 c CB 0.343 42.815 42.510 -0.064 0.000 2.593 128 c HN -0.001 8.206 8.230 -0.038 0.000 0.639 129 A N 0.985 123.705 122.820 -0.166 0.000 2.302 129 A HA 0.078 4.320 4.320 -0.130 0.000 0.285 129 A C -0.943 176.534 177.584 -0.179 0.000 1.105 129 A CA -0.280 51.649 52.037 -0.181 0.000 0.816 129 A CB 1.135 19.983 19.000 -0.253 0.000 1.067 129 A HN 0.283 8.307 8.150 -0.211 0.000 0.489 133 G N 1.610 110.373 108.800 -0.062 0.000 2.284 133 G HA2 -0.313 3.615 3.960 -0.053 0.000 0.247 133 G HA3 -0.313 3.620 3.960 -0.044 0.000 0.247 133 G C 0.236 175.099 174.900 -0.062 0.000 1.012 133 G CA 0.076 45.143 45.100 -0.054 0.000 0.618 133 G HN 0.793 8.940 8.290 -0.063 0.105 0.521 134 T N 3.810 118.316 114.554 -0.079 0.000 2.934 134 T HA -0.207 4.107 4.350 -0.061 0.000 0.306 134 T C -0.866 173.791 174.700 -0.073 0.000 1.042 134 T CA 2.462 64.515 62.100 -0.079 0.000 1.145 134 T CB 0.716 69.518 68.868 -0.110 0.000 0.982 134 T HN -0.522 7.578 8.240 -0.092 0.084 0.544 135 Q N 5.764 125.535 119.800 -0.049 0.000 2.256 135 Q HA 0.171 4.599 4.340 -0.039 -0.111 0.254 135 Q C -0.860 175.124 176.000 -0.026 0.000 0.916 135 Q CA 0.254 56.040 55.803 -0.029 0.000 0.932 135 Q CB 1.264 29.999 28.738 -0.005 0.000 1.207 135 Q HN 0.203 8.448 8.270 -0.041 0.000 0.426 136 c N 3.310 121.896 118.600 -0.022 0.000 3.044 136 c HA 0.604 5.268 4.570 -0.013 -0.102 0.315 136 c C -1.877 172.222 174.090 0.014 0.000 1.320 136 c CA -1.562 54.757 56.329 -0.017 0.000 1.582 136 c CB 4.351 46.832 42.510 -0.048 0.000 2.039 136 c HN 0.881 8.987 8.230 -0.024 0.110 0.466 137 L N 0.710 121.948 121.223 0.027 0.000 2.333 137 L HA 0.819 5.358 4.340 0.054 -0.167 0.280 137 L C -2.226 174.661 176.870 0.028 0.000 1.004 137 L CA -1.298 53.570 54.840 0.047 0.000 0.820 137 L CB 3.264 45.372 42.059 0.082 0.000 1.247 137 L HN 0.725 8.858 8.230 0.021 0.109 0.416 138 I N 7.225 127.796 120.570 0.002 0.000 2.474 138 I HA 0.838 5.239 4.170 0.020 -0.219 0.294 138 I C -1.384 174.701 176.117 -0.053 0.000 1.005 138 I CA -1.535 59.764 61.300 -0.003 0.000 1.113 138 I CB 2.720 40.724 38.000 0.005 0.000 1.289 138 I HN 0.809 9.020 8.210 0.001 0.000 0.436 139 S N 2.282 117.944 115.700 -0.064 0.000 2.588 139 S HA 1.054 5.561 4.470 -0.235 -0.177 0.275 139 S C -1.112 173.368 174.600 -0.201 0.000 1.130 139 S CA -1.793 56.292 58.200 -0.192 0.000 0.855 139 S CB 3.763 66.812 63.200 -0.252 0.000 1.116 139 S HN -0.182 8.123 8.310 -0.008 0.000 0.472 140 G N -1.136 107.447 108.800 -0.362 0.000 2.321 140 G HA2 0.123 3.851 3.960 -0.387 0.000 0.298 140 G HA3 0.123 4.181 3.960 -0.053 -0.130 0.298 140 G C -2.234 172.438 174.900 -0.381 0.000 1.385 140 G CA 0.511 45.430 45.100 -0.301 0.000 0.856 140 G HN 0.141 8.151 8.290 -0.468 0.000 0.584 141 W N 1.207 122.460 121.300 -0.078 0.000 3.067 141 W HA 0.380 4.991 4.660 -0.082 0.000 0.417 141 W C -0.101 176.470 176.519 0.086 0.000 1.029 141 W CA -0.865 56.400 57.345 -0.134 0.000 1.992 141 W CB 0.141 29.281 29.460 -0.533 0.000 1.122 141 W HN 0.590 8.937 8.180 0.278 0.000 0.681 142 G N 0.759 109.747 108.800 0.313 0.000 2.621 142 G HA2 -0.062 4.268 3.960 0.602 0.000 0.271 142 G HA3 -0.062 4.254 3.960 0.309 -0.171 0.271 142 G C -1.087 173.956 174.900 0.240 0.000 1.236 142 G CA -0.740 44.596 45.100 0.392 0.000 0.958 142 G HN -0.462 8.108 8.290 0.197 -0.162 0.512 143 N N -1.418 117.342 118.700 0.100 0.000 2.345 143 N HA -0.329 4.066 4.740 -0.861 -0.171 0.243 143 N C 0.521 175.936 175.510 -0.159 0.000 1.246 143 N CA 1.000 53.829 53.050 -0.368 0.000 0.863 143 N CB 0.915 39.201 38.487 -0.335 0.000 1.096 143 N HN 0.063 8.632 8.380 0.314 0.000 0.446 144 T N -1.385 113.059 114.554 -0.183 0.000 3.044 144 T HA 0.278 4.717 4.350 -0.057 -0.123 0.260 144 T C 0.058 174.713 174.700 -0.074 0.000 1.019 144 T CA -0.011 62.036 62.100 -0.088 0.000 0.921 144 T CB 1.099 69.929 68.868 -0.064 0.000 1.053 144 T HN 0.152 8.225 8.240 -0.278 0.000 0.533 145 K N 2.273 122.617 120.400 -0.095 0.000 2.270 145 K HA 0.281 4.577 4.320 -0.040 0.000 0.255 145 K C -0.521 176.056 176.600 -0.037 0.000 0.936 145 K CA -1.107 55.145 56.287 -0.058 0.000 0.809 145 K CB 2.535 34.997 32.500 -0.063 0.000 1.131 145 K HN -0.788 7.627 8.250 -0.146 -0.252 0.427 146 S N 1.265 116.956 115.700 -0.015 0.000 2.446 146 S HA -0.138 4.371 4.470 0.008 -0.035 0.225 146 S C -0.226 174.377 174.600 0.005 0.000 1.016 146 S CA 1.841 60.043 58.200 0.003 0.000 0.943 146 S CB 0.830 64.037 63.200 0.011 0.000 0.786 146 S HN 0.169 8.470 8.310 -0.014 0.000 0.508 147 S N 0.790 116.489 115.700 -0.002 0.000 2.269 147 S HA 0.186 4.662 4.470 0.009 0.000 0.194 147 S C -0.522 174.075 174.600 -0.004 0.000 1.547 147 S CA -0.089 58.112 58.200 0.003 0.000 1.186 147 S CB -0.462 62.741 63.200 0.004 0.000 1.069 147 S HN -0.455 7.819 8.310 -0.008 0.030 0.473 148 G N 1.413 110.209 108.800 -0.006 0.000 2.343 148 G HA2 -0.180 3.782 3.960 0.004 0.000 0.465 148 G HA3 -0.180 3.773 3.960 -0.012 0.000 0.465 148 G C -2.780 172.096 174.900 -0.040 0.000 1.282 148 G CA -0.673 44.420 45.100 -0.010 0.000 0.996 148 G HN -0.337 7.952 8.290 -0.001 0.000 0.521 149 T N -3.935 110.589 114.554 -0.049 0.000 2.840 149 T HA 0.153 4.576 4.350 -0.247 -0.221 0.287 149 T C -1.208 173.374 174.700 -0.196 0.000 0.991 149 T CA -1.313 60.695 62.100 -0.153 0.000 0.964 149 T CB 2.471 71.332 68.868 -0.011 0.000 0.954 149 T HN -0.108 8.121 8.240 -0.017 0.000 0.438 150 S N 5.221 120.720 115.700 -0.334 0.000 2.707 150 S HA 0.328 4.756 4.470 -0.071 0.000 0.303 150 S C -2.048 172.349 174.600 -0.338 0.000 1.132 150 S CA -1.058 57.031 58.200 -0.186 0.000 1.046 150 S CB 2.000 65.139 63.200 -0.101 0.000 1.004 150 S HN 0.964 9.424 8.310 -0.448 -0.419 0.483 151 Y N 7.169 127.509 120.300 0.066 0.000 2.328 151 Y HA 0.320 4.927 4.550 0.096 0.000 0.337 151 Y C -1.345 174.606 175.900 0.085 0.000 1.008 151 Y CA -2.667 55.487 58.100 0.088 0.000 1.129 151 Y CB 1.221 39.743 38.460 0.104 0.000 1.185 151 Y HN 0.272 8.640 8.280 0.148 0.000 0.476 152 P HA 0.246 4.740 4.420 0.124 0.000 0.278 152 P C -1.503 175.929 177.300 0.219 0.000 1.258 152 P CA -1.010 62.191 63.100 0.169 0.000 0.811 152 P CB 1.826 33.595 31.700 0.114 0.000 1.063 153 D N -2.500 118.004 120.400 0.173 0.000 2.262 153 D HA -0.048 4.666 4.640 0.124 0.000 0.212 153 D C -0.661 175.794 176.300 0.257 0.000 0.964 153 D CA 1.866 55.959 54.000 0.156 0.000 0.875 153 D CB 0.850 41.709 40.800 0.099 0.000 0.996 153 D HN 0.398 8.848 8.370 0.134 0.000 0.497 154 V N -7.970 112.088 119.914 0.241 0.000 2.966 154 V HA 0.615 5.153 4.120 0.422 -0.164 0.317 154 V C -0.725 175.423 176.094 0.090 0.000 1.070 154 V CA -2.781 59.675 62.300 0.261 0.000 1.008 154 V CB 1.989 33.881 31.823 0.114 0.000 1.070 154 V HN -0.926 7.362 8.190 0.163 0.000 0.457 155 L N 1.350 122.495 121.223 -0.128 0.000 2.455 155 L HA -0.059 3.392 4.340 -1.481 0.000 0.272 155 L C -0.301 176.298 176.870 -0.452 0.000 1.174 155 L CA 0.829 55.221 54.840 -0.746 0.000 0.869 155 L CB 0.509 42.140 42.059 -0.714 0.000 1.130 155 L HN -0.093 8.364 8.230 0.090 -0.173 0.474 156 K N 5.750 125.861 120.400 -0.481 0.000 2.156 156 K HA 0.683 4.966 4.320 -0.324 -0.156 0.254 156 K C -1.136 175.204 176.600 -0.433 0.000 0.950 156 K CA -2.461 53.611 56.287 -0.357 0.000 0.849 156 K CB 2.461 34.819 32.500 -0.237 0.000 1.100 156 K HN -0.230 7.651 8.250 -0.615 0.000 0.434 157 c N -0.524 117.721 118.600 -0.592 0.000 2.779 157 c HA 0.955 5.450 4.570 -0.410 -0.172 0.314 157 c C -1.762 171.964 174.090 -0.608 0.000 1.231 157 c CA -0.834 55.093 56.329 -0.669 0.000 1.652 157 c CB 3.721 45.666 42.510 -0.943 0.000 2.198 157 c HN 0.761 8.576 8.230 -0.691 0.000 0.483 158 L N 0.013 121.080 121.223 -0.260 0.000 2.526 158 L HA 0.377 4.754 4.340 0.063 0.000 0.263 158 L C -2.453 174.482 176.870 0.108 0.000 0.943 158 L CA 0.148 54.984 54.840 -0.007 0.000 0.859 158 L CB 4.382 46.457 42.059 0.027 0.000 1.313 158 L HN 0.735 8.847 8.230 -0.197 0.000 0.406 159 K N 6.113 126.643 120.400 0.217 0.000 2.183 159 K HA 0.800 5.386 4.320 0.126 -0.190 0.274 159 K C -1.006 175.724 176.600 0.216 0.000 1.009 159 K CA -1.424 54.972 56.287 0.182 0.000 0.888 159 K CB 1.319 33.932 32.500 0.189 0.000 1.078 159 K HN 0.305 8.722 8.250 0.278 0.000 0.459 160 A N 3.648 126.532 122.820 0.107 0.000 2.549 160 A HA 0.680 5.003 4.320 0.005 0.000 0.297 160 A C -3.393 174.124 177.584 -0.113 0.000 1.061 160 A CA -2.678 49.355 52.037 -0.006 0.000 0.690 160 A CB 3.080 22.081 19.000 0.001 0.000 1.287 160 A HN 0.850 9.032 8.150 0.054 0.000 0.402 161 P HA 0.788 5.358 4.420 -0.102 -0.211 0.287 161 P C -1.113 176.117 177.300 -0.117 0.000 1.270 161 P CA -1.551 61.458 63.100 -0.151 0.000 0.844 161 P CB 1.695 33.301 31.700 -0.156 0.000 1.068 162 I N 0.189 120.711 120.570 -0.080 0.000 2.529 162 I HA -0.033 4.305 4.170 0.091 -0.114 0.284 162 I C 0.076 176.183 176.117 -0.018 0.000 1.082 162 I CA 0.471 61.756 61.300 -0.025 0.000 1.406 162 I CB 0.382 38.284 38.000 -0.164 0.000 1.405 162 I HN 0.075 8.228 8.210 -0.096 0.000 0.548 163 L N 6.684 127.933 121.223 0.043 0.000 2.431 163 L HA 0.251 4.583 4.340 -0.013 0.000 0.260 163 L C -0.225 176.664 176.870 0.032 0.000 1.098 163 L CA -0.948 53.905 54.840 0.022 0.000 0.800 163 L CB 0.823 42.905 42.059 0.038 0.000 1.210 163 L HN 0.266 8.467 8.230 0.125 0.104 0.465 164 S N -1.161 114.551 115.700 0.019 0.000 2.603 164 S HA -0.004 4.473 4.470 0.012 0.000 0.268 164 S C 0.335 174.961 174.600 0.043 0.000 1.317 164 S CA -0.522 57.690 58.200 0.021 0.000 1.012 164 S CB 1.304 64.510 63.200 0.011 0.000 0.926 164 S HN -0.034 8.282 8.310 0.011 0.000 0.539 165 D N 1.414 121.840 120.400 0.043 0.000 2.144 165 D HA -0.226 4.464 4.640 0.083 0.000 0.199 165 D C 1.761 178.093 176.300 0.054 0.000 0.984 165 D CA 3.251 57.287 54.000 0.061 0.000 0.834 165 D CB -0.219 40.612 40.800 0.051 0.000 0.955 165 D HN 0.554 8.942 8.370 0.030 0.000 0.465 166 S N -1.023 114.699 115.700 0.037 0.000 2.359 166 S HA -0.337 4.153 4.470 0.035 0.000 0.224 166 S C 2.172 176.790 174.600 0.031 0.000 1.035 166 S CA 3.755 61.974 58.200 0.031 0.000 1.018 166 S CB -0.269 62.943 63.200 0.020 0.000 0.876 166 S HN -0.008 8.315 8.310 0.030 0.005 0.448 167 S N 2.893 118.609 115.700 0.027 0.000 2.383 167 S HA -0.246 4.229 4.470 0.008 0.000 0.227 167 S C 1.884 176.502 174.600 0.029 0.000 1.026 167 S CA 3.778 61.989 58.200 0.018 0.000 0.981 167 S CB -0.155 63.052 63.200 0.012 0.000 0.818 167 S HN -0.539 7.786 8.310 0.026 0.000 0.472 168 c N 3.464 122.100 118.600 0.061 0.000 2.436 168 c HA -0.308 4.328 4.570 0.109 0.000 0.277 168 c C 1.659 175.827 174.090 0.130 0.000 1.241 168 c CA 2.695 59.089 56.329 0.108 0.000 1.721 168 c CB -1.739 40.847 42.510 0.127 0.000 2.043 168 c HN -0.198 8.069 8.230 0.062 0.000 0.472 169 K N -0.967 119.497 120.400 0.107 0.000 2.148 169 K HA -0.330 4.085 4.320 0.158 0.000 0.204 169 K C 2.451 179.094 176.600 0.073 0.000 1.050 169 K CA 3.027 59.380 56.287 0.110 0.000 0.942 169 K CB -0.292 32.258 32.500 0.084 0.000 0.724 169 K HN 0.125 8.428 8.250 0.089 0.000 0.446 170 S N -1.320 114.401 115.700 0.036 0.000 2.406 170 S HA -0.193 4.285 4.470 0.013 0.000 0.228 170 S C 1.331 175.907 174.600 -0.041 0.000 1.020 170 S CA 2.632 60.834 58.200 0.004 0.000 0.965 170 S CB -0.103 63.096 63.200 -0.002 0.000 0.798 170 S HN -0.223 8.009 8.310 0.038 0.101 0.488 171 A N -0.371 122.396 122.820 -0.088 0.000 1.970 171 A HA -0.086 4.083 4.320 -0.251 0.000 0.216 171 A C -0.209 177.098 177.584 -0.461 0.000 1.170 171 A CA 1.862 53.717 52.037 -0.303 0.000 0.645 171 A CB 0.927 19.681 19.000 -0.410 0.000 0.816 171 A HN -0.486 7.519 8.150 -0.037 0.123 0.447 172 Y N -5.316 115.026 120.300 0.069 0.000 2.495 172 Y HA 0.461 5.088 4.550 0.128 0.000 0.362 172 Y C -2.488 173.478 175.900 0.109 0.000 0.956 172 Y CA -3.571 54.604 58.100 0.126 0.000 1.127 172 Y CB -0.281 38.310 38.460 0.219 0.000 1.173 172 Y HN -0.414 7.915 8.280 0.082 0.000 0.639 173 P HA -0.127 4.476 4.420 0.110 -0.117 0.264 173 P C 0.906 178.277 177.300 0.119 0.000 1.183 173 P CA 1.205 64.373 63.100 0.114 0.000 0.763 173 P CB 0.162 31.901 31.700 0.065 0.000 0.807 174 G N 3.295 112.154 108.800 0.098 0.000 2.175 174 G HA2 -0.369 3.627 3.960 0.060 0.000 0.265 174 G HA3 -0.369 3.624 3.960 0.055 0.000 0.265 174 G C 0.076 175.026 174.900 0.083 0.000 0.979 174 G CA 0.823 45.967 45.100 0.073 0.000 0.663 174 G HN 0.505 8.850 8.290 0.092 0.000 0.533 175 Q N -2.666 117.221 119.800 0.145 0.000 2.214 175 Q HA 0.092 4.457 4.340 0.041 0.000 0.229 175 Q C -0.521 175.604 176.000 0.209 0.000 0.835 175 Q CA -0.446 55.439 55.803 0.136 0.000 0.953 175 Q CB 1.573 30.418 28.738 0.178 0.000 1.131 175 Q HN -0.280 8.046 8.270 0.193 0.060 0.501 176 I N 0.731 121.429 120.570 0.212 0.000 2.315 176 I HA 0.039 4.362 4.170 0.255 0.000 0.291 176 I C -0.340 175.858 176.117 0.134 0.000 1.006 176 I CA -2.171 59.249 61.300 0.200 0.000 1.265 176 I CB -0.911 37.200 38.000 0.185 0.000 1.387 176 I HN -0.403 7.921 8.210 0.190 0.000 0.475 177 T N 2.582 117.211 114.554 0.125 0.000 2.910 177 T HA 0.359 4.750 4.350 0.069 0.000 0.279 177 T C 0.805 175.558 174.700 0.088 0.000 0.989 177 T CA -2.057 60.094 62.100 0.086 0.000 0.968 177 T CB 2.141 71.051 68.868 0.070 0.000 1.135 177 T HN -0.419 7.913 8.240 0.153 0.000 0.562 178 S N -2.118 113.619 115.700 0.061 0.000 2.555 178 S HA -0.186 4.324 4.470 0.067 0.000 0.230 178 S C 0.266 174.907 174.600 0.069 0.000 0.978 178 S CA 1.957 60.190 58.200 0.055 0.000 0.934 178 S CB -0.178 63.034 63.200 0.020 0.000 0.766 178 S HN 0.272 8.608 8.310 0.043 0.000 0.533 179 N N 0.816 119.571 118.700 0.092 0.000 2.279 179 N HA 0.154 4.965 4.740 0.117 0.000 0.226 179 N C -1.835 173.801 175.510 0.210 0.000 1.126 179 N CA -0.398 52.741 53.050 0.148 0.000 0.846 179 N CB 0.766 39.368 38.487 0.190 0.000 1.050 179 N HN -0.556 7.801 8.380 0.089 0.076 0.502 180 M N -0.957 118.752 119.600 0.182 0.000 2.572 180 M HA 0.829 5.595 4.480 0.113 -0.218 0.299 180 M C -2.310 174.112 176.300 0.202 0.000 1.205 180 M CA -0.358 55.030 55.300 0.145 0.000 0.876 180 M CB 5.072 37.740 32.600 0.113 0.000 1.728 180 M HN -0.802 7.496 8.290 0.160 0.089 0.458 181 F N -5.830 114.167 119.950 0.080 0.000 2.645 181 F HA 0.609 5.170 4.527 0.056 0.000 0.310 181 F C -2.787 173.067 175.800 0.090 0.000 1.102 181 F CA -1.926 56.117 58.000 0.072 0.000 0.952 181 F CB 2.299 41.337 39.000 0.063 0.000 1.326 181 F HN 0.076 8.243 8.300 -0.221 0.000 0.456 182 c N -0.140 118.613 118.600 0.255 0.000 2.391 182 c HA 0.984 5.782 4.570 0.048 -0.199 0.339 182 c C -1.038 173.230 174.090 0.297 0.000 1.205 182 c CA -0.871 55.557 56.329 0.165 0.000 1.937 182 c CB 2.675 45.262 42.510 0.127 0.000 2.341 182 c HN 0.856 9.283 8.230 0.328 0.000 0.516 183 A N 3.229 126.205 122.820 0.261 0.000 2.530 183 A HA 0.668 5.190 4.320 0.088 -0.148 0.279 183 A C -2.338 175.295 177.584 0.082 0.000 1.109 183 A CA -0.345 51.770 52.037 0.131 0.000 0.763 183 A CB 2.567 21.549 19.000 -0.029 0.000 1.257 183 A HN 0.458 8.791 8.150 0.305 0.000 0.424 184 Y N 2.851 123.184 120.300 0.055 0.000 2.341 184 Y HA 0.131 4.701 4.550 0.035 0.000 0.340 184 Y C 0.829 176.746 175.900 0.029 0.000 0.997 184 Y CA -0.498 57.625 58.100 0.037 0.000 1.149 184 Y CB 0.836 39.316 38.460 0.033 0.000 1.171 184 Y HN 0.287 8.723 8.280 0.261 0.000 0.494 185 L N 4.011 125.306 121.223 0.120 0.000 2.275 185 L HA -0.329 4.042 4.340 0.052 0.000 0.215 185 L C 1.143 178.058 176.870 0.075 0.000 1.119 185 L CA 2.327 57.208 54.840 0.068 0.000 0.790 185 L CB -0.338 41.742 42.059 0.034 0.000 0.919 185 L HN 0.523 8.807 8.230 0.089 0.000 0.443 186 E N -2.227 118.036 120.200 0.105 0.000 2.478 186 E HA -0.147 4.231 4.350 0.047 0.000 0.198 186 E C 0.781 177.416 176.600 0.057 0.000 1.046 186 E CA 0.186 56.627 56.400 0.069 0.000 0.870 186 E CB -0.764 28.975 29.700 0.065 0.000 0.818 186 E HN 0.093 8.510 8.360 0.151 0.034 0.527 187 G N 0.797 109.645 108.800 0.081 0.000 3.313 187 G HA2 -0.403 3.733 3.960 0.076 0.000 0.563 187 G HA3 -0.403 3.582 3.960 0.041 0.000 0.563 187 G C -0.863 174.058 174.900 0.035 0.000 1.037 187 G CA -0.039 45.097 45.100 0.061 0.000 0.848 187 G HN -0.534 7.649 8.290 0.120 0.178 0.416 188 K N 1.181 121.577 120.400 -0.007 0.000 7.219 188 K HA -0.608 3.950 4.320 -0.004 -0.240 0.683 188 K C -1.362 175.319 176.600 0.134 0.000 2.548 188 K CA 0.490 56.782 56.287 0.007 0.000 1.868 188 K CB -0.001 32.394 32.500 -0.176 0.000 1.932 188 K HN 0.265 8.536 8.250 0.034 0.000 0.297 189 D N 0.453 120.923 120.400 0.117 0.000 2.808 189 D HA 0.230 4.988 4.640 0.197 0.000 0.294 189 D C -1.896 174.472 176.300 0.113 0.000 1.278 189 D CA -0.491 53.594 54.000 0.143 0.000 0.756 189 D CB 3.655 44.524 40.800 0.115 0.000 1.271 189 D HN 0.297 8.713 8.370 0.077 0.000 0.425 190 S N -1.437 114.344 115.700 0.134 0.000 2.707 190 S HA 0.293 4.886 4.470 0.093 -0.067 0.276 190 S C -1.446 173.204 174.600 0.083 0.000 1.179 190 S CA -0.374 57.897 58.200 0.117 0.000 0.992 190 S CB 1.678 64.984 63.200 0.176 0.000 1.030 190 S HN 0.297 8.705 8.310 0.163 0.000 0.554 191 c N -1.772 116.884 118.600 0.092 0.000 3.293 191 c HA 0.216 4.832 4.570 0.078 0.000 0.362 191 c C -1.497 172.681 174.090 0.147 0.000 1.539 191 c CA -0.595 55.791 56.329 0.094 0.000 1.201 191 c CB 3.058 45.608 42.510 0.067 0.000 1.770 191 c HN 0.356 8.936 8.230 0.109 -0.285 0.440 192 Q N 1.990 121.890 119.800 0.167 0.000 2.310 192 Q HA -0.411 4.059 4.340 0.218 0.000 0.315 192 Q C 0.871 177.070 176.000 0.331 0.000 1.081 192 Q CA 2.269 58.213 55.803 0.235 0.000 0.981 192 Q CB 0.545 29.423 28.738 0.232 0.000 1.184 192 Q HN 0.500 8.851 8.270 0.134 0.000 0.389 193 G N 6.191 115.183 108.800 0.321 0.000 2.284 193 G HA2 -0.439 3.696 3.960 0.290 0.000 0.230 193 G HA3 -0.439 3.828 3.960 0.510 0.000 0.230 193 G C 0.659 175.790 174.900 0.386 0.000 1.021 193 G CA 1.135 46.465 45.100 0.383 0.000 0.619 193 G HN 0.800 9.258 8.290 0.280 0.000 0.510 194 D N 2.040 122.612 120.400 0.286 0.000 2.333 194 D HA 0.056 4.848 4.640 0.253 0.000 0.208 194 D C 0.227 176.636 176.300 0.181 0.000 0.984 194 D CA 1.056 55.190 54.000 0.223 0.000 0.873 194 D CB 0.484 41.380 40.800 0.161 0.000 0.935 194 D HN -0.007 8.415 8.370 0.263 0.106 0.521 195 S N -0.444 115.366 115.700 0.183 0.000 2.643 195 S HA -0.611 4.093 4.470 0.171 -0.131 0.310 195 S C 1.038 175.650 174.600 0.020 0.000 1.253 195 S CA 2.454 60.738 58.200 0.140 0.000 1.047 195 S CB 0.059 63.377 63.200 0.196 0.000 0.767 195 S HN -0.445 7.954 8.310 0.219 0.042 0.498 196 G N 4.452 113.241 108.800 -0.019 0.000 2.267 196 G HA2 -0.478 3.521 3.960 -0.047 0.000 0.257 196 G HA3 -0.478 3.547 3.960 -0.069 -0.107 0.257 196 G C -0.164 174.767 174.900 0.052 0.000 0.998 196 G CA 0.289 45.373 45.100 -0.028 0.000 0.620 196 G HN 0.834 9.029 8.290 0.011 0.101 0.529 197 G N 0.813 109.671 108.800 0.096 0.000 2.621 197 G HA2 0.367 4.473 3.960 0.126 0.000 0.271 197 G HA3 0.367 4.403 3.960 0.127 0.000 0.271 197 G C -2.638 172.346 174.900 0.140 0.000 1.236 197 G CA -2.036 43.138 45.100 0.124 0.000 0.958 197 G HN -0.220 7.968 8.290 0.104 0.165 0.512 198 P HA 0.252 4.862 4.420 0.133 -0.110 0.278 198 P C -1.634 175.736 177.300 0.117 0.000 1.238 198 P CA -0.680 62.515 63.100 0.158 0.000 0.794 198 P CB 1.373 33.234 31.700 0.269 0.000 0.955 199 V N 2.785 122.746 119.914 0.079 0.000 2.419 199 V HA 0.264 4.536 4.120 -0.004 -0.155 0.287 199 V C -1.349 174.758 176.094 0.022 0.000 1.017 199 V CA -0.458 61.852 62.300 0.017 0.000 0.844 199 V CB 1.782 33.590 31.823 -0.024 0.000 1.011 199 V HN -0.231 8.009 8.190 0.084 0.000 0.429 200 V N 7.955 127.873 119.914 0.008 0.000 2.459 200 V HA 0.617 4.888 4.120 -0.062 -0.188 0.295 200 V C -1.359 174.719 176.094 -0.027 0.000 1.029 200 V CA -1.307 60.970 62.300 -0.038 0.000 0.874 200 V CB 2.908 34.689 31.823 -0.071 0.000 0.985 200 V HN 0.454 8.663 8.190 0.031 0.000 0.438 201 c N 7.494 126.066 118.600 -0.048 0.000 2.396 201 c HA 0.596 5.146 4.570 -0.033 0.000 0.321 201 c C 0.213 174.275 174.090 -0.046 0.000 1.233 201 c CA -1.243 55.057 56.329 -0.049 0.000 1.440 201 c CB 1.839 44.301 42.510 -0.080 0.000 2.110 201 c HN 0.569 8.763 8.230 -0.060 0.000 0.473 202 S N 5.642 121.323 115.700 -0.031 0.000 3.559 202 S HA -0.344 4.117 4.470 -0.016 0.000 0.369 202 S C 0.346 174.927 174.600 -0.031 0.000 0.987 202 S CA 0.998 59.182 58.200 -0.027 0.000 1.187 202 S CB -1.175 62.005 63.200 -0.032 0.000 0.914 202 S HN 1.123 9.420 8.310 -0.022 0.000 0.480 203 G N -5.186 103.594 108.800 -0.033 0.000 2.166 203 G HA2 -0.370 3.558 3.960 -0.054 0.000 0.260 203 G HA3 -0.370 3.570 3.960 -0.033 0.000 0.260 203 G C -0.720 174.131 174.900 -0.082 0.000 0.986 203 G CA 0.528 45.598 45.100 -0.050 0.000 0.683 203 G HN 0.315 8.585 8.290 -0.024 0.006 0.527 210 Q N 1.106 120.924 119.800 0.030 0.000 2.392 210 Q HA 0.198 4.570 4.340 0.053 0.000 0.219 210 Q C -0.237 175.912 176.000 0.248 0.000 0.895 210 Q CA 0.186 56.026 55.803 0.061 0.000 0.929 210 Q CB 2.727 31.424 28.738 -0.068 0.000 1.077 210 Q HN 0.353 8.632 8.270 0.015 0.000 0.532 211 G N -3.126 105.842 108.800 0.280 0.000 2.694 211 G HA2 0.623 5.088 3.960 0.421 0.000 0.290 211 G HA3 0.623 4.855 3.960 0.453 0.000 0.290 211 G C -3.259 171.766 174.900 0.208 0.000 1.386 211 G CA -0.749 44.567 45.100 0.360 0.000 0.872 211 G HN -0.379 8.014 8.290 0.172 0.000 0.475 212 I N -1.309 119.380 120.570 0.198 0.000 2.498 212 I HA 0.528 4.997 4.170 0.158 -0.205 0.290 212 I C -0.507 175.738 176.117 0.214 0.000 1.032 212 I CA -1.415 59.982 61.300 0.162 0.000 1.073 212 I CB 4.320 42.374 38.000 0.090 0.000 1.251 212 I HN -0.389 7.935 8.210 0.189 0.000 0.426 213 V N 6.912 126.963 119.914 0.228 0.000 2.493 213 V HA -0.209 3.963 4.120 0.087 0.000 0.292 213 V C -1.163 174.956 176.094 0.042 0.000 1.016 213 V CA 2.116 64.502 62.300 0.143 0.000 1.097 213 V CB -1.033 30.896 31.823 0.177 0.000 0.947 213 V HN 0.284 8.593 8.190 0.198 0.000 0.479 214 S N 7.636 123.268 115.700 -0.113 0.000 3.142 214 S HA 0.401 5.086 4.470 0.359 0.000 0.223 214 S C -1.331 173.364 174.600 0.158 0.000 0.939 214 S CA 1.088 59.367 58.200 0.133 0.000 0.826 214 S CB 2.301 65.566 63.200 0.108 0.000 0.823 214 S HN -0.166 7.865 8.310 -0.466 0.000 0.612 215 W N -4.464 116.684 121.300 -0.253 0.000 2.940 215 W HA 0.260 4.808 4.660 -0.186 0.000 0.394 215 W C -2.805 173.543 176.519 -0.285 0.000 1.155 215 W CA -0.741 56.459 57.345 -0.242 0.000 1.165 215 W CB 1.222 30.535 29.460 -0.244 0.000 1.492 215 W HN -0.421 7.417 8.180 -0.570 0.000 0.593 216 G N -3.275 105.542 108.800 0.028 0.000 2.368 216 G HA2 0.046 3.703 3.960 -0.506 0.000 0.293 216 G HA3 0.046 3.920 3.960 -0.143 0.000 0.293 216 G C -2.301 172.711 174.900 0.188 0.000 1.467 216 G CA 0.319 45.346 45.100 -0.122 0.000 0.804 216 G HN -0.063 8.420 8.290 0.322 0.000 0.535 220 c N 2.117 120.753 118.600 0.060 0.000 3.465 220 c HA 0.324 5.073 4.570 0.061 -0.142 0.193 220 c C -1.515 172.605 174.090 0.051 0.000 1.515 220 c CA -0.726 55.636 56.329 0.055 0.000 1.340 220 c CB -1.246 41.290 42.510 0.045 0.000 1.928 220 c HN 0.351 8.612 8.230 0.053 0.000 0.510 221 Q N -2.082 117.751 119.800 0.054 0.000 2.920 221 Q HA 0.062 4.423 4.340 0.034 0.000 0.255 221 Q C -1.935 174.087 176.000 0.038 0.000 0.976 221 Q CA -0.520 55.308 55.803 0.042 0.000 0.862 221 Q CB 2.004 30.768 28.738 0.044 0.000 1.952 221 Q HN -0.124 8.184 8.270 0.064 0.000 0.489 222 K N 2.642 123.057 120.400 0.026 0.000 2.436 222 K HA -0.319 4.237 4.320 0.033 -0.217 0.275 222 K C 0.480 177.081 176.600 0.000 0.000 0.999 222 K CA 1.542 57.841 56.287 0.020 0.000 0.980 222 K CB 0.120 32.628 32.500 0.014 0.000 0.919 222 K HN 0.197 8.461 8.250 0.022 0.000 0.484 223 N N 2.128 120.825 118.700 -0.005 0.000 2.713 223 N HA -0.481 4.236 4.740 -0.037 0.000 0.251 223 N C -1.600 173.845 175.510 -0.108 0.000 1.117 223 N CA 1.712 54.732 53.050 -0.049 0.000 0.770 223 N CB -0.501 37.951 38.487 -0.058 0.000 1.137 223 N HN 0.778 9.042 8.380 0.015 0.125 0.566 224 K N -2.202 118.165 120.400 -0.054 0.000 2.753 224 K HA 0.546 4.692 4.320 -0.290 0.000 0.185 224 K C -2.305 174.348 176.600 0.088 0.000 1.071 224 K CA -3.588 52.667 56.287 -0.054 0.000 0.999 224 K CB -0.113 32.412 32.500 0.042 0.000 1.244 224 K HN -0.731 7.473 8.250 -0.001 0.045 0.594 225 P HA -0.044 4.440 4.420 0.107 0.000 0.274 225 P C -0.603 176.746 177.300 0.082 0.000 1.260 225 P CA -0.443 62.726 63.100 0.116 0.000 0.793 225 P CB 1.144 32.903 31.700 0.097 0.000 1.048 226 G N -2.508 106.304 108.800 0.020 0.000 2.476 226 G HA2 0.371 4.118 3.960 -0.356 0.000 0.269 226 G HA3 0.371 4.185 3.960 -0.244 0.000 0.269 226 G C -1.835 172.753 174.900 -0.519 0.000 1.195 226 G CA -0.845 44.088 45.100 -0.279 0.000 0.843 226 G HN -0.400 7.964 8.290 0.123 0.000 0.545 227 V N 1.456 120.725 119.914 -1.075 0.000 2.555 227 V HA 0.677 4.576 4.120 -0.665 -0.178 0.302 227 V C -0.979 174.367 176.094 -1.247 0.000 1.038 227 V CA -1.081 60.555 62.300 -1.107 0.000 0.887 227 V CB 2.253 32.979 31.823 -1.829 0.000 0.991 227 V HN 0.337 7.832 8.190 -1.158 0.000 0.434 228 Y N 4.953 124.840 120.300 -0.688 0.000 2.499 228 Y HA 0.533 4.986 4.550 -0.376 -0.128 0.347 228 Y C 0.196 175.833 175.900 -0.438 0.000 0.987 228 Y CA -2.130 55.588 58.100 -0.637 0.000 1.044 228 Y CB 3.904 41.709 38.460 -1.091 0.000 1.245 228 Y HN 1.034 8.945 8.280 -0.615 0.000 0.461 229 T N 4.995 119.531 114.554 -0.029 0.000 2.870 229 T HA 0.013 4.592 4.350 0.122 -0.157 0.300 229 T C -0.670 174.178 174.700 0.247 0.000 0.989 229 T CA 1.431 63.592 62.100 0.102 0.000 1.139 229 T CB 0.476 69.380 68.868 0.060 0.000 0.920 229 T HN 0.425 8.672 8.240 0.011 0.000 0.537 230 K N 8.373 128.998 120.400 0.374 0.000 2.171 230 K HA 0.069 4.794 4.320 0.675 0.000 0.274 230 K C 1.011 177.862 176.600 0.419 0.000 1.110 230 K CA -0.411 56.164 56.287 0.479 0.000 0.952 230 K CB -0.337 32.395 32.500 0.387 0.000 1.309 230 K HN 0.138 8.483 8.250 0.337 0.107 0.414 231 V N 6.225 126.362 119.914 0.371 0.000 2.469 231 V HA -0.513 3.894 4.120 0.478 0.000 0.251 231 V C 1.425 177.677 176.094 0.263 0.000 1.064 231 V CA 3.859 66.365 62.300 0.343 0.000 1.066 231 V CB -0.304 31.650 31.823 0.219 0.000 0.667 231 V HN 0.285 8.702 8.190 0.378 0.000 0.461 232 c N -3.655 115.037 118.600 0.153 0.000 2.409 232 c HA -0.220 4.394 4.570 0.073 0.000 0.284 232 c C 1.623 175.735 174.090 0.037 0.000 1.354 232 c CA 1.647 58.020 56.329 0.073 0.000 1.787 232 c CB -2.128 40.395 42.510 0.022 0.000 1.900 232 c HN 0.488 8.806 8.230 0.146 0.000 0.520 233 N N 0.845 119.541 118.700 -0.008 0.000 2.494 233 N HA -0.093 4.553 4.740 -0.157 0.000 0.182 233 N C 0.385 175.666 175.510 -0.381 0.000 1.076 233 N CA 1.329 54.233 53.050 -0.242 0.000 0.908 233 N CB -0.112 38.103 38.487 -0.454 0.000 0.967 233 N HN -0.426 7.954 8.380 0.076 0.046 0.449 234 Y N -4.717 115.653 120.300 0.116 0.000 2.481 234 Y HA 0.152 4.839 4.550 0.230 0.000 0.247 234 Y C 0.201 176.235 175.900 0.224 0.000 1.151 234 Y CA -0.459 57.766 58.100 0.209 0.000 1.238 234 Y CB 0.064 38.670 38.460 0.243 0.000 1.179 234 Y HN -0.167 8.054 8.280 0.207 0.183 0.524 235 V N 0.920 120.971 119.914 0.228 0.000 2.332 235 V HA -0.574 3.634 4.120 0.148 0.000 0.248 235 V C 1.411 177.572 176.094 0.112 0.000 1.055 235 V CA 5.008 67.394 62.300 0.144 0.000 1.038 235 V CB -0.585 31.285 31.823 0.079 0.000 0.651 235 V HN -0.732 7.557 8.190 0.166 0.000 0.450 236 S N -0.425 115.343 115.700 0.114 0.000 2.383 236 S HA -0.312 4.176 4.470 0.029 0.000 0.227 236 S C 1.767 176.435 174.600 0.113 0.000 1.026 236 S CA 3.030 61.278 58.200 0.080 0.000 0.981 236 S CB -0.422 62.823 63.200 0.075 0.000 0.818 236 S HN 0.110 8.487 8.310 0.112 0.000 0.472 237 W N 4.237 125.573 121.300 0.060 0.000 2.355 237 W HA -0.168 4.517 4.660 0.042 0.000 0.309 237 W C 1.573 178.107 176.519 0.025 0.000 1.206 237 W CA 2.961 60.353 57.345 0.078 0.000 1.284 237 W CB -0.036 29.556 29.460 0.220 0.000 1.145 237 W HN -0.423 7.969 8.180 0.374 0.012 0.502 238 I N -0.575 119.983 120.570 -0.020 0.000 2.127 238 I HA -0.771 2.984 4.170 -0.693 0.000 0.241 238 I C 1.833 177.707 176.117 -0.404 0.000 1.075 238 I CA 4.584 65.687 61.300 -0.329 0.000 1.334 238 I CB -0.277 37.692 38.000 -0.052 0.000 1.040 238 I HN 0.422 8.815 8.210 0.304 0.000 0.405 239 K N -0.944 119.319 120.400 -0.229 0.000 2.032 239 K HA -0.440 3.728 4.320 -0.254 0.000 0.209 239 K C 2.748 179.194 176.600 -0.256 0.000 1.048 239 K CA 3.846 60.002 56.287 -0.219 0.000 0.927 239 K CB -0.350 32.082 32.500 -0.114 0.000 0.712 239 K HN -0.146 8.035 8.250 -0.114 0.000 0.441 240 Q N -2.078 117.584 119.800 -0.230 0.000 2.079 240 Q HA -0.299 3.947 4.340 -0.156 0.000 0.200 240 Q C 2.662 178.475 176.000 -0.312 0.000 0.974 240 Q CA 3.353 59.031 55.803 -0.208 0.000 0.840 240 Q CB 0.052 28.713 28.738 -0.127 0.000 0.898 240 Q HN 0.179 8.338 8.270 -0.186 0.000 0.430 241 T N 2.455 116.696 114.554 -0.522 0.000 2.746 241 T HA -0.274 3.840 4.350 -0.394 0.000 0.267 241 T C 2.328 176.694 174.700 -0.556 0.000 1.039 241 T CA 4.919 66.670 62.100 -0.582 0.000 1.142 241 T CB -0.161 68.102 68.868 -1.009 0.000 0.866 241 T HN -0.100 7.754 8.240 -0.642 0.000 0.444 242 I N 1.034 121.163 120.570 -0.735 0.000 2.252 242 I HA -0.427 2.967 4.170 -1.293 0.000 0.245 242 I C 1.738 177.625 176.117 -0.384 0.000 1.102 242 I CA 3.699 64.454 61.300 -0.909 0.000 1.385 242 I CB -0.404 36.965 38.000 -1.052 0.000 1.064 242 I HN 0.065 7.843 8.210 -0.720 0.000 0.414 243 A N -1.126 121.525 122.820 -0.282 0.000 2.070 243 A HA -0.170 4.090 4.320 -0.101 0.000 0.220 243 A C 0.790 178.323 177.584 -0.085 0.000 1.159 243 A CA 2.628 54.581 52.037 -0.139 0.000 0.656 243 A CB -0.526 18.403 19.000 -0.118 0.000 0.800 243 A HN 0.130 8.085 8.150 -0.325 0.000 0.453 244 S N -4.420 111.220 115.700 -0.101 0.000 2.554 244 S HA 0.138 4.597 4.470 -0.019 0.000 0.226 244 S C -0.778 173.830 174.600 0.014 0.000 0.980 244 S CA 0.304 58.481 58.200 -0.038 0.000 0.939 244 S CB 1.298 64.469 63.200 -0.049 0.000 0.832 244 S HN -0.421 7.635 8.310 -0.171 0.151 0.486 245 N N 0.000 118.739 118.700 0.065 0.000 1.763 245 N HA 0.000 4.818 4.740 0.130 0.000 0.220 245 N CA 0.000 53.168 53.050 0.196 0.000 0.885 245 N CB 0.000 38.678 38.487 0.319 0.000 1.341 245 N HN 0.000 8.237 8.380 0.024 0.158 0.667