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 1o3o_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 4.190 4.170 0.033 0.000 0.288 16 I C 0.000 176.114 176.117 -0.005 0.000 1.063 16 I CA 0.000 61.302 61.300 0.003 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.058 0.000 1.214 17 V N 5.512 125.433 119.914 0.012 0.000 2.483 17 V HA 0.248 4.495 4.120 -0.011 -0.134 0.295 17 V C 0.642 176.738 176.094 0.004 0.000 1.035 17 V CA -1.620 60.682 62.300 0.003 0.000 0.896 17 V CB 1.314 33.145 31.823 0.014 0.000 0.986 17 V HN 0.840 9.050 8.190 0.034 0.000 0.447 18 G N 6.321 115.118 108.800 -0.006 0.000 2.168 18 G HA2 -0.400 3.553 3.960 -0.013 0.000 0.257 18 G HA3 -0.400 3.719 3.960 -0.029 -0.176 0.257 18 G C -0.664 174.242 174.900 0.011 0.000 0.997 18 G CA 0.558 45.651 45.100 -0.012 0.000 0.708 18 G HN 0.780 9.064 8.290 -0.009 0.000 0.520 19 G N -1.145 107.662 108.800 0.011 0.000 2.702 19 G HA2 0.491 4.490 3.960 0.085 0.000 0.254 19 G HA3 0.491 4.473 3.960 -0.090 -0.076 0.254 19 G C -1.745 173.199 174.900 0.074 0.000 1.380 19 G CA -1.044 44.062 45.100 0.010 0.000 1.042 19 G HN -0.688 7.559 8.290 -0.007 0.039 0.557 20 Y N -6.383 113.898 120.300 -0.032 0.000 2.638 20 Y HA 0.368 4.901 4.550 -0.028 0.000 0.339 20 Y C -1.810 174.066 175.900 -0.041 0.000 1.084 20 Y CA -2.855 55.226 58.100 -0.032 0.000 1.068 20 Y CB 1.009 39.453 38.460 -0.027 0.000 1.294 20 Y HN 0.385 8.191 8.280 -0.613 0.106 0.480 21 T N 2.585 117.192 114.554 0.089 0.000 2.817 21 T HA 0.061 4.495 4.350 -0.092 -0.139 0.295 21 T C 0.167 174.885 174.700 0.030 0.000 0.958 21 T CA 1.310 63.410 62.100 0.001 0.000 1.157 21 T CB -0.204 68.694 68.868 0.050 0.000 0.898 21 T HN 0.030 8.376 8.240 0.176 0.000 0.536 22 c N 6.174 124.694 118.600 -0.132 0.000 2.446 22 c HA -0.104 4.458 4.570 -0.013 0.000 0.277 22 c C 0.131 174.235 174.090 0.023 0.000 1.275 22 c CA 0.781 57.061 56.329 -0.082 0.000 1.727 22 c CB 0.240 42.634 42.510 -0.193 0.000 2.010 22 c HN 0.165 8.270 8.230 -0.209 0.000 0.486 23 G N -1.972 106.830 108.800 0.002 0.000 3.055 23 G HA2 -0.178 3.799 3.960 0.028 0.000 0.685 23 G HA3 -0.178 3.801 3.960 0.032 0.000 0.685 23 G C -1.821 173.081 174.900 0.003 0.000 1.212 23 G CA -0.796 44.316 45.100 0.021 0.000 0.822 23 G HN -0.375 7.901 8.290 -0.024 0.000 0.610 24 A N 4.199 127.029 122.820 0.017 0.000 2.584 24 A HA -0.264 4.258 4.320 0.035 -0.181 0.239 24 A C -0.349 177.240 177.584 0.009 0.000 1.043 24 A CA 1.132 53.183 52.037 0.024 0.000 0.756 24 A CB 0.059 19.078 19.000 0.032 0.000 0.963 24 A HN 0.323 8.487 8.150 0.024 0.000 0.511 25 N N -3.309 115.395 118.700 0.006 0.000 2.678 25 N HA -0.382 4.348 4.740 -0.018 0.000 0.249 25 N C 0.592 176.080 175.510 -0.035 0.000 1.119 25 N CA 1.761 54.804 53.050 -0.012 0.000 0.718 25 N CB -1.127 37.365 38.487 0.007 0.000 1.060 25 N HN 0.543 8.937 8.380 0.024 0.000 0.552 26 T N -3.617 110.907 114.554 -0.050 0.000 3.081 26 T HA 0.001 4.340 4.350 -0.019 0.000 0.255 26 T C 0.038 174.680 174.700 -0.096 0.000 1.113 26 T CA 2.117 64.192 62.100 -0.042 0.000 1.082 26 T CB 0.450 69.309 68.868 -0.015 0.000 0.939 26 T HN -0.490 7.683 8.240 -0.052 0.036 0.506 27 V N 2.221 122.015 119.914 -0.199 0.000 2.320 27 V HA 0.401 4.258 4.120 -0.437 0.000 0.257 27 V C -1.550 174.218 176.094 -0.543 0.000 0.996 27 V CA -3.392 58.631 62.300 -0.461 0.000 0.928 27 V CB 0.379 31.916 31.823 -0.477 0.000 1.169 27 V HN -0.493 7.534 8.190 -0.168 0.062 0.475 28 P HA 0.056 4.513 4.420 -0.101 -0.097 0.230 28 P C 0.067 177.308 177.300 -0.098 0.000 1.158 28 P CA 1.563 64.580 63.100 -0.139 0.000 0.769 28 P CB 0.074 31.768 31.700 -0.010 0.000 0.807 29 Y N -6.215 114.109 120.300 0.040 0.000 2.462 29 Y HA 0.496 5.214 4.550 0.055 -0.135 0.261 29 Y C -0.401 175.533 175.900 0.058 0.000 1.146 29 Y CA -3.120 55.009 58.100 0.049 0.000 1.283 29 Y CB -1.096 37.388 38.460 0.041 0.000 1.090 29 Y HN -0.419 7.188 8.280 -1.022 0.059 0.526 30 Q N 2.826 122.474 119.800 -0.254 0.000 2.332 30 Q HA 0.139 4.669 4.340 0.091 -0.135 0.263 30 Q C -0.363 175.713 176.000 0.126 0.000 0.979 30 Q CA 0.340 56.117 55.803 -0.043 0.000 0.885 30 Q CB 1.121 29.728 28.738 -0.217 0.000 1.218 30 Q HN -0.533 7.225 8.270 -0.578 0.165 0.405 31 V N 0.675 120.706 119.914 0.195 0.000 3.001 31 V HA 0.830 5.183 4.120 0.198 -0.114 0.314 31 V C -2.095 174.151 176.094 0.254 0.000 1.099 31 V CA -2.823 59.591 62.300 0.189 0.000 0.989 31 V CB 4.089 35.973 31.823 0.101 0.000 1.040 31 V HN 0.179 8.481 8.190 0.187 0.000 0.434 32 S N 0.630 116.393 115.700 0.105 0.000 2.472 32 S HA 0.496 5.216 4.470 0.228 -0.113 0.303 32 S C -1.180 173.314 174.600 -0.178 0.000 1.099 32 S CA -2.342 55.864 58.200 0.010 0.000 1.077 32 S CB 1.781 64.768 63.200 -0.354 0.000 1.031 32 S HN 0.119 8.448 8.310 0.031 0.000 0.487 33 L N 6.876 127.861 121.223 -0.396 0.000 2.272 33 L HA 0.526 4.788 4.340 -0.339 -0.126 0.289 33 L C -1.619 174.825 176.870 -0.710 0.000 1.032 33 L CA -0.856 53.628 54.840 -0.594 0.000 0.810 33 L CB 1.008 42.507 42.059 -0.934 0.000 1.205 33 L HN 0.788 8.740 8.230 -0.463 0.000 0.422 38 G N -0.154 108.518 108.800 -0.213 0.000 2.179 38 G HA2 -0.281 3.655 3.960 -0.039 0.000 0.220 38 G HA3 -0.281 3.716 3.960 0.062 0.000 0.220 38 G C -1.584 173.378 174.900 0.103 0.000 0.990 38 G CA 0.299 45.384 45.100 -0.024 0.000 0.646 38 G HN 0.361 8.841 8.290 -0.224 -0.324 0.517 39 Y N -7.699 112.575 120.300 -0.044 0.000 2.732 39 Y HA 0.161 4.672 4.550 -0.065 0.000 0.342 39 Y C -2.551 173.349 175.900 0.000 0.000 1.203 39 Y CA -3.409 54.667 58.100 -0.039 0.000 1.092 39 Y CB 0.716 39.152 38.460 -0.040 0.000 1.345 39 Y HN -1.270 6.809 8.280 -0.475 -0.085 0.458 40 H N 2.414 121.450 119.070 -0.057 0.000 2.819 40 H HA -0.055 4.470 4.556 -0.306 -0.152 0.303 40 H C -0.439 174.893 175.328 0.005 0.000 1.058 40 H CA 0.443 56.387 56.048 -0.173 0.000 1.471 40 H CB 0.134 29.761 29.762 -0.225 0.000 1.480 40 H HN 0.419 8.808 8.280 0.182 0.000 0.517 41 F N 2.449 121.956 119.950 -0.739 0.000 2.778 41 F HA 0.351 4.773 4.527 -0.175 0.000 0.314 41 F C -2.142 173.385 175.800 -0.455 0.000 1.073 41 F CA -0.728 57.027 58.000 -0.408 0.000 1.218 41 F CB 1.604 40.446 39.000 -0.262 0.000 1.037 41 F HN -0.115 7.512 8.300 -1.121 0.000 0.594 42 c N -1.639 116.236 118.600 -1.208 0.000 3.321 42 c HA 0.367 4.836 4.570 -0.240 -0.043 0.329 42 c C -1.626 172.265 174.090 -0.332 0.000 1.394 42 c CA -0.308 55.679 56.329 -0.571 0.000 1.291 42 c CB 4.094 46.311 42.510 -0.489 0.000 1.606 42 c HN -0.798 6.424 8.230 -1.681 0.000 0.463 43 G N -1.041 107.745 108.800 -0.023 0.000 2.601 43 G HA2 0.813 5.079 3.960 0.252 0.000 0.317 43 G HA3 0.813 4.895 3.960 0.204 0.000 0.317 43 G C -2.525 172.395 174.900 0.033 0.000 1.246 43 G CA -1.616 43.569 45.100 0.141 0.000 1.012 43 G HN 0.950 9.009 8.290 -0.023 0.217 0.494 44 G N -3.981 104.874 108.800 0.090 0.000 2.506 44 G HA2 0.530 4.814 3.960 0.064 0.000 0.292 44 G HA3 0.530 4.519 3.960 0.048 0.000 0.292 44 G C -2.877 172.106 174.900 0.138 0.000 1.425 44 G CA 0.313 45.460 45.100 0.078 0.000 0.788 44 G HN -0.598 7.780 8.290 0.146 0.000 0.490 45 S N -0.433 115.354 115.700 0.146 0.000 2.532 45 S HA 0.747 5.583 4.470 0.280 -0.198 0.299 45 S C -1.262 173.443 174.600 0.174 0.000 1.105 45 S CA -0.918 57.404 58.200 0.204 0.000 1.018 45 S CB 3.712 67.012 63.200 0.167 0.000 1.021 45 S HN 0.470 8.852 8.310 0.120 0.000 0.483 46 L N 6.527 127.869 121.223 0.199 0.000 2.361 46 L HA 0.120 4.658 4.340 0.148 -0.109 0.278 46 L C -0.798 176.160 176.870 0.146 0.000 1.113 46 L CA 0.089 55.027 54.840 0.163 0.000 0.849 46 L CB 0.862 43.017 42.059 0.159 0.000 1.155 46 L HN 0.431 8.709 8.230 0.262 0.110 0.452 47 I N 0.005 120.657 120.570 0.137 0.000 4.181 47 I HA 0.479 4.831 4.170 0.070 -0.139 0.331 47 I C -0.985 175.192 176.117 0.100 0.000 1.312 47 I CA -0.595 60.763 61.300 0.096 0.000 1.146 47 I CB 0.990 39.035 38.000 0.075 0.000 1.074 47 I HN 0.366 8.676 8.210 0.166 0.000 0.402 48 N N -2.556 116.227 118.700 0.139 0.000 3.116 48 N HA 0.200 4.998 4.740 0.096 0.000 0.244 48 N C -0.510 175.082 175.510 0.137 0.000 1.485 48 N CA -0.690 52.439 53.050 0.131 0.000 0.884 48 N CB 0.975 39.551 38.487 0.148 0.000 1.415 48 N HN -0.926 7.554 8.380 0.167 0.000 0.524 49 S N -3.177 112.589 115.700 0.110 0.000 2.500 49 S HA -0.355 4.158 4.470 0.072 0.000 0.239 49 S C 0.833 175.467 174.600 0.058 0.000 0.989 49 S CA 2.838 61.085 58.200 0.078 0.000 0.951 49 S CB -0.149 63.085 63.200 0.057 0.000 0.759 49 S HN 0.411 8.781 8.310 0.101 0.000 0.523 50 Q N -0.501 119.349 119.800 0.083 0.000 2.127 50 Q HA 0.344 4.623 4.340 -0.102 0.000 0.222 50 Q C -2.111 173.745 176.000 -0.241 0.000 0.794 50 Q CA -0.608 55.140 55.803 -0.092 0.000 1.010 50 Q CB 2.560 31.213 28.738 -0.142 0.000 1.170 50 Q HN 0.193 8.901 8.270 0.186 -0.326 0.479 51 W N -2.068 119.238 121.300 0.009 0.000 2.915 51 W HA 0.696 5.561 4.660 0.005 -0.202 0.337 51 W C -1.517 175.014 176.519 0.020 0.000 1.102 51 W CA -1.065 56.283 57.345 0.006 0.000 1.224 51 W CB 3.810 33.263 29.460 -0.011 0.000 1.416 51 W HN -0.304 8.153 8.180 0.264 -0.119 0.503 52 V N 1.174 121.246 119.914 0.264 0.000 2.823 52 V HA 0.755 5.143 4.120 0.171 -0.165 0.312 52 V C -1.560 174.646 176.094 0.186 0.000 1.072 52 V CA -1.701 60.705 62.300 0.177 0.000 0.937 52 V CB 3.858 35.742 31.823 0.102 0.000 1.013 52 V HN 0.900 9.256 8.190 0.277 0.000 0.430 53 V N 5.596 125.597 119.914 0.146 0.000 2.513 53 V HA 0.729 5.108 4.120 0.152 -0.168 0.299 53 V C -1.320 174.829 176.094 0.093 0.000 1.035 53 V CA -1.208 61.169 62.300 0.130 0.000 0.889 53 V CB 2.388 34.281 31.823 0.116 0.000 0.988 53 V HN 0.703 8.974 8.190 0.135 0.000 0.440 54 S N 4.461 120.203 115.700 0.069 0.000 2.880 54 S HA 0.590 5.288 4.470 0.025 -0.213 0.308 54 S C -2.097 172.490 174.600 -0.022 0.000 1.195 54 S CA -2.567 55.643 58.200 0.017 0.000 0.866 54 S CB 2.576 65.770 63.200 -0.010 0.000 1.254 54 S HN 0.725 9.087 8.310 0.086 0.000 0.571 55 A N -0.510 122.253 122.820 -0.095 0.000 2.306 55 A HA 0.447 4.859 4.320 -0.103 -0.154 0.314 55 A C 0.624 178.086 177.584 -0.204 0.000 1.164 55 A CA -1.585 50.358 52.037 -0.156 0.000 0.822 55 A CB 1.451 20.294 19.000 -0.262 0.000 1.130 55 A HN 0.320 8.398 8.150 -0.120 0.000 0.496 56 A N 5.406 128.057 122.820 -0.282 0.000 1.972 56 A HA -0.261 3.920 4.320 -0.233 0.000 0.219 56 A C 1.394 178.737 177.584 -0.403 0.000 1.169 56 A CA 2.839 54.592 52.037 -0.473 0.000 0.635 56 A CB -0.428 17.902 19.000 -1.117 0.000 0.810 56 A HN 0.668 8.673 8.150 -0.262 -0.012 0.446 57 H N -4.593 114.308 119.070 -0.282 0.000 2.561 57 H HA -0.093 4.496 4.556 0.056 0.000 0.278 57 H C 0.223 175.600 175.328 0.083 0.000 1.014 57 H CA 1.487 57.536 56.048 0.001 0.000 1.211 57 H CB -1.245 28.588 29.762 0.119 0.000 1.365 57 H HN -0.040 8.412 8.280 -0.172 -0.275 0.594 58 c N -1.933 116.599 118.600 -0.113 0.000 2.697 58 c HA 0.028 4.684 4.570 0.144 0.000 0.267 58 c C 0.385 174.570 174.090 0.158 0.000 1.278 58 c CA 0.026 56.383 56.329 0.048 0.000 1.708 58 c CB -1.545 40.930 42.510 -0.058 0.000 1.860 58 c HN -0.073 7.843 8.230 -0.204 0.192 0.589 59 Y N 3.688 123.997 120.300 0.016 0.000 2.702 59 Y HA -0.258 4.316 4.550 0.041 0.000 0.336 59 Y C -0.762 175.133 175.900 -0.009 0.000 1.235 59 Y CA 2.111 60.222 58.100 0.018 0.000 1.492 59 Y CB 0.617 39.071 38.460 -0.010 0.000 1.308 59 Y HN -0.384 7.814 8.280 0.162 0.180 0.589 60 K N 5.441 125.079 120.400 -1.271 0.000 2.772 60 K HA 0.175 4.014 4.320 -0.801 0.000 0.292 60 K C -2.551 173.542 176.600 -0.846 0.000 1.049 60 K CA -1.060 54.686 56.287 -0.902 0.000 0.846 60 K CB 2.153 34.295 32.500 -0.596 0.000 1.514 60 K HN -0.070 7.299 8.250 -1.468 0.000 0.373 61 S N -0.479 114.938 115.700 -0.472 0.000 2.713 61 S HA 0.145 4.460 4.470 -0.259 0.000 0.283 61 S C 0.718 175.189 174.600 -0.215 0.000 1.161 61 S CA -0.491 57.551 58.200 -0.263 0.000 0.999 61 S CB 1.297 64.425 63.200 -0.120 0.000 1.039 61 S HN -0.184 7.907 8.310 -0.364 0.000 0.548 62 G N -0.024 108.690 108.800 -0.143 0.000 2.256 62 G HA2 -0.251 3.653 3.960 -0.094 0.000 0.272 62 G HA3 -0.251 3.629 3.960 -0.134 0.000 0.272 62 G C -1.711 173.111 174.900 -0.129 0.000 1.076 62 G CA 0.184 45.209 45.100 -0.125 0.000 0.882 62 G HN 0.325 8.548 8.290 -0.111 0.000 0.497 63 I N -1.177 119.332 120.570 -0.101 0.000 2.359 63 I HA 0.140 4.429 4.170 -0.010 -0.125 0.294 63 I C -1.659 174.419 176.117 -0.064 0.000 0.987 63 I CA -0.958 60.314 61.300 -0.046 0.000 1.225 63 I CB 1.093 39.090 38.000 -0.005 0.000 1.366 63 I HN -0.538 7.612 8.210 -0.100 0.000 0.466 64 Q N 7.137 126.885 119.800 -0.085 0.000 3.184 64 Q HA 0.520 4.812 4.340 -0.079 0.000 0.236 64 Q C -1.713 174.206 176.000 -0.135 0.000 1.038 64 Q CA -2.004 53.732 55.803 -0.112 0.000 0.857 64 Q CB 4.350 32.988 28.738 -0.166 0.000 1.957 64 Q HN 0.554 8.775 8.270 -0.080 0.000 0.453 65 R N -2.533 117.914 120.500 -0.088 0.000 2.937 65 R HA 0.428 5.026 4.340 0.147 -0.170 0.273 65 R C -1.305 175.036 176.300 0.069 0.000 1.176 65 R CA 0.022 56.115 56.100 -0.013 0.000 1.132 65 R CB 2.458 32.615 30.300 -0.239 0.000 1.270 65 R HN 0.514 8.712 8.270 -0.120 0.000 0.425 70 E N -0.861 119.437 120.200 0.165 0.000 2.319 70 E HA 0.111 4.540 4.350 0.131 0.000 0.268 70 E C -1.599 175.195 176.600 0.323 0.000 1.050 70 E CA 0.555 57.066 56.400 0.185 0.000 0.878 70 E CB 1.501 31.228 29.700 0.045 0.000 1.066 70 E HN -0.563 7.871 8.360 0.184 0.036 0.406 71 D N 1.405 121.972 120.400 0.277 0.000 2.900 71 D HA 0.050 4.949 4.640 0.431 0.000 0.175 71 D C -1.197 175.304 176.300 0.335 0.000 1.476 71 D CA 1.450 55.641 54.000 0.319 0.000 1.488 71 D CB 2.491 43.380 40.800 0.149 0.000 1.426 71 D HN 0.166 8.637 8.370 0.168 0.000 0.295 72 N N 0.382 119.180 118.700 0.163 0.000 2.420 72 N HA 0.243 5.187 4.740 0.160 -0.107 0.249 72 N C 1.777 177.282 175.510 -0.010 0.000 1.033 72 N CA -1.034 52.079 53.050 0.104 0.000 0.944 72 N CB 0.697 39.227 38.487 0.071 0.000 1.113 72 N HN -0.508 7.946 8.380 0.122 0.000 0.502 73 I N 0.734 121.207 120.570 -0.161 0.000 3.291 73 I HA -0.064 4.077 4.170 -0.281 -0.140 0.279 73 I C -0.534 175.497 176.117 -0.145 0.000 1.294 73 I CA 1.290 62.408 61.300 -0.302 0.000 1.428 73 I CB -0.712 36.892 38.000 -0.661 0.000 1.070 73 I HN 0.488 8.612 8.210 -0.144 0.000 0.478 74 N N -1.556 117.106 118.700 -0.063 0.000 2.254 74 N HA 0.082 4.804 4.740 -0.030 0.000 0.190 74 N C -0.691 174.824 175.510 0.009 0.000 1.107 74 N CA 1.150 54.188 53.050 -0.021 0.000 0.869 74 N CB 1.617 40.102 38.487 -0.003 0.000 0.983 74 N HN -0.120 8.490 8.380 -0.043 -0.256 0.487 75 V N 0.003 119.928 119.914 0.018 0.000 2.735 75 V HA 0.148 4.286 4.120 0.030 0.000 0.310 75 V C -1.185 174.933 176.094 0.039 0.000 1.061 75 V CA -1.282 61.036 62.300 0.029 0.000 0.913 75 V CB 3.364 35.203 31.823 0.025 0.000 1.005 75 V HN -0.679 7.572 8.190 0.008 -0.056 0.428 76 V N 6.495 126.428 119.914 0.033 0.000 2.432 76 V HA -0.019 4.310 4.120 0.024 -0.195 0.275 76 V C -0.293 175.799 176.094 -0.003 0.000 1.043 76 V CA 0.144 62.450 62.300 0.008 0.000 0.925 76 V CB 0.483 32.288 31.823 -0.030 0.000 0.985 76 V HN 0.346 8.552 8.190 0.027 0.000 0.466 77 E N 7.256 127.453 120.200 -0.004 0.000 2.641 77 E HA 0.174 4.523 4.350 -0.002 0.000 0.224 77 E C -0.566 176.028 176.600 -0.011 0.000 0.951 77 E CA -0.640 55.760 56.400 -0.000 0.000 1.102 77 E CB 1.021 30.730 29.700 0.016 0.000 1.091 77 E HN 0.341 9.173 8.360 -0.003 -0.474 0.507 78 G N 0.368 109.151 108.800 -0.028 0.000 2.576 78 G HA2 -0.236 3.690 3.960 -0.056 0.000 0.686 78 G HA3 -0.236 3.709 3.960 -0.024 0.000 0.686 78 G C -1.683 173.201 174.900 -0.027 0.000 1.242 78 G CA -0.657 44.422 45.100 -0.036 0.000 0.819 78 G HN -0.520 7.970 8.290 -0.040 -0.224 0.655 79 N N -3.872 114.807 118.700 -0.035 0.000 2.980 79 N HA -0.305 4.423 4.740 -0.021 0.000 0.219 79 N C -0.889 174.608 175.510 -0.021 0.000 0.883 79 N CA 1.428 54.467 53.050 -0.019 0.000 1.018 79 N CB -0.235 38.255 38.487 0.005 0.000 1.041 79 N HN 0.167 8.519 8.380 -0.046 0.000 0.592 80 E N -1.335 118.834 120.200 -0.052 0.000 2.366 80 E HA 0.200 4.799 4.350 0.039 -0.225 0.266 80 E C -0.086 176.444 176.600 -0.117 0.000 1.051 80 E CA 0.491 56.862 56.400 -0.048 0.000 0.884 80 E CB 0.581 30.220 29.700 -0.102 0.000 1.006 80 E HN -0.188 8.034 8.360 -0.073 0.094 0.417 81 Q N 2.663 122.465 119.800 0.003 0.000 2.292 81 Q HA 0.319 4.598 4.340 -0.100 0.000 0.270 81 Q C -1.619 174.510 176.000 0.214 0.000 1.024 81 Q CA -1.263 54.543 55.803 0.005 0.000 0.768 81 Q CB 3.614 32.369 28.738 0.029 0.000 1.250 81 Q HN 0.270 8.609 8.270 0.116 0.000 0.447 82 F N 3.843 123.774 119.950 -0.032 0.000 2.388 82 F HA 0.324 4.996 4.527 -0.046 -0.172 0.358 82 F C -0.124 175.653 175.800 -0.039 0.000 1.122 82 F CA -3.180 54.795 58.000 -0.041 0.000 1.056 82 F CB 0.345 39.319 39.000 -0.043 0.000 1.155 82 F HN 0.351 8.672 8.300 0.035 0.000 0.461 83 I N 4.514 125.159 120.570 0.124 0.000 2.498 83 I HA 0.240 4.438 4.170 0.045 0.000 0.290 83 I C -1.134 174.983 176.117 0.000 0.000 1.032 83 I CA -1.366 59.960 61.300 0.043 0.000 1.073 83 I CB 3.723 41.733 38.000 0.017 0.000 1.251 83 I HN 0.811 9.083 8.210 0.103 0.000 0.426 84 S N 6.273 121.964 115.700 -0.014 0.000 2.585 84 S HA 0.023 4.467 4.470 -0.044 0.000 0.273 84 S C -0.428 174.137 174.600 -0.058 0.000 1.339 84 S CA 0.911 59.088 58.200 -0.037 0.000 1.028 84 S CB 0.911 64.090 63.200 -0.034 0.000 0.906 84 S HN 0.463 8.770 8.310 -0.006 0.000 0.528 85 A N 3.960 126.742 122.820 -0.064 0.000 2.409 85 A HA 0.107 4.462 4.320 -0.100 -0.095 0.262 85 A C -0.170 177.364 177.584 -0.084 0.000 1.113 85 A CA -0.086 51.904 52.037 -0.079 0.000 0.790 85 A CB 0.376 19.341 19.000 -0.058 0.000 1.046 85 A HN -0.168 7.946 8.150 -0.059 0.000 0.496 86 S N 3.987 119.615 115.700 -0.119 0.000 2.421 86 S HA 0.003 4.429 4.470 -0.073 0.000 0.224 86 S C 0.362 174.918 174.600 -0.074 0.000 1.035 86 S CA 1.551 59.690 58.200 -0.102 0.000 0.953 86 S CB 0.776 63.891 63.200 -0.142 0.000 0.810 86 S HN 0.788 8.879 8.310 -0.170 0.117 0.497 87 K N -0.360 119.988 120.400 -0.086 0.000 2.568 87 K HA 0.258 4.592 4.320 0.025 0.000 0.273 87 K C -2.349 174.274 176.600 0.037 0.000 0.951 87 K CA -0.418 55.864 56.287 -0.008 0.000 0.854 87 K CB 3.362 35.863 32.500 0.001 0.000 1.424 87 K HN -0.734 7.429 8.250 -0.146 0.000 0.427 88 S N 1.362 117.142 115.700 0.133 0.000 2.500 88 S HA 0.720 5.465 4.470 0.171 -0.172 0.301 88 S C -0.776 173.950 174.600 0.211 0.000 1.092 88 S CA -0.478 57.844 58.200 0.203 0.000 1.030 88 S CB 2.584 65.971 63.200 0.310 0.000 1.031 88 S HN 0.165 8.569 8.310 0.156 0.000 0.483 89 I N 7.315 128.020 120.570 0.225 0.000 2.405 89 I HA 0.108 4.371 4.170 0.155 0.000 0.280 89 I C -1.568 174.695 176.117 0.243 0.000 1.027 89 I CA -0.832 60.597 61.300 0.215 0.000 1.161 89 I CB 1.299 39.442 38.000 0.238 0.000 1.300 89 I HN 1.072 9.324 8.210 0.251 0.109 0.463 90 V N 7.811 127.799 119.914 0.124 0.000 2.649 90 V HA -0.167 4.004 4.120 0.084 0.000 0.292 90 V C -0.265 175.907 176.094 0.130 0.000 1.055 90 V CA -0.502 61.838 62.300 0.068 0.000 1.023 90 V CB 0.849 32.615 31.823 -0.095 0.000 0.992 90 V HN 0.356 8.573 8.190 0.044 0.000 0.480 91 H N 8.809 127.854 119.070 -0.041 0.000 3.094 91 H HA -0.047 4.289 4.556 -0.366 0.000 0.320 91 H C -0.443 174.843 175.328 -0.071 0.000 1.000 91 H CA 0.510 56.397 56.048 -0.269 0.000 1.413 91 H CB 1.500 30.957 29.762 -0.508 0.000 1.405 91 H HN -0.204 8.119 8.280 0.071 0.000 0.586 92 P HA -0.103 4.316 4.420 -0.001 0.000 0.219 92 P C -0.429 176.903 177.300 0.054 0.000 1.146 92 P CA 1.461 64.521 63.100 -0.066 0.000 0.808 92 P CB 0.335 31.974 31.700 -0.100 0.000 0.779 93 S N -3.707 112.124 115.700 0.218 0.000 2.582 93 S HA 0.033 4.562 4.470 0.098 0.000 0.234 93 S C -0.567 174.146 174.600 0.189 0.000 0.961 93 S CA 0.037 58.362 58.200 0.208 0.000 0.953 93 S CB 0.381 63.702 63.200 0.202 0.000 0.800 93 S HN -0.431 8.051 8.310 0.346 0.036 0.471 94 Y N 3.596 123.946 120.300 0.085 0.000 2.511 94 Y HA -0.292 4.512 4.550 -0.037 -0.277 0.332 94 Y C -0.951 174.944 175.900 -0.009 0.000 1.177 94 Y CA 0.730 58.833 58.100 0.005 0.000 1.422 94 Y CB 0.924 39.390 38.460 0.010 0.000 1.271 94 Y HN -0.656 7.652 8.280 0.326 0.167 0.550 95 N N 6.950 125.292 118.700 -0.598 0.000 2.483 95 N HA 0.216 4.683 4.740 -0.454 0.000 0.267 95 N C -0.270 174.695 175.510 -0.908 0.000 0.998 95 N CA -1.257 51.453 53.050 -0.567 0.000 0.918 95 N CB 1.886 40.200 38.487 -0.288 0.000 1.215 95 N HN -0.269 7.853 8.380 -0.429 0.000 0.500 96 S N 6.552 121.725 115.700 -0.880 0.000 2.481 96 S HA -0.064 4.001 4.470 -0.676 0.000 0.231 96 S C 0.755 175.170 174.600 -0.307 0.000 0.996 96 S CA 2.367 60.221 58.200 -0.577 0.000 0.942 96 S CB -0.149 62.901 63.200 -0.249 0.000 0.768 96 S HN 0.610 8.520 8.310 -0.666 0.000 0.520 97 N N 1.893 120.422 118.700 -0.285 0.000 2.368 97 N HA 0.020 4.638 4.740 -0.204 0.000 0.176 97 N C 0.987 176.336 175.510 -0.268 0.000 1.021 97 N CA 2.286 55.200 53.050 -0.225 0.000 0.888 97 N CB 0.547 38.929 38.487 -0.175 0.000 0.995 97 N HN 0.296 8.723 8.380 -0.310 -0.232 0.437 98 T N -4.257 110.133 114.554 -0.273 0.000 3.014 98 T HA 0.075 4.225 4.350 -0.332 0.000 0.250 98 T C 0.104 174.618 174.700 -0.309 0.000 1.060 98 T CA 0.305 62.237 62.100 -0.281 0.000 1.040 98 T CB 1.812 70.571 68.868 -0.181 0.000 0.971 98 T HN -0.443 7.891 8.240 -0.275 -0.259 0.497 99 L N -3.278 117.800 121.223 -0.242 0.000 4.089 99 L HA -0.500 3.968 4.340 0.093 -0.072 0.408 99 L C -1.894 175.015 176.870 0.066 0.000 1.184 99 L CA 0.390 55.205 54.840 -0.041 0.000 0.947 99 L CB -2.535 39.454 42.059 -0.117 0.000 2.066 99 L HN -0.157 7.899 8.230 -0.290 0.000 0.851 100 N N -1.102 117.590 118.700 -0.012 0.000 2.530 100 N HA -0.159 4.631 4.740 0.084 0.000 0.273 100 N C 0.068 175.625 175.510 0.079 0.000 1.173 100 N CA 0.577 53.651 53.050 0.040 0.000 0.967 100 N CB 1.268 39.750 38.487 -0.008 0.000 1.109 100 N HN -0.756 7.517 8.380 -0.110 0.041 0.453 101 N N -1.094 117.643 118.700 0.062 0.000 2.738 101 N HA -0.475 4.186 4.740 -0.132 0.000 0.249 101 N C -1.408 174.073 175.510 -0.048 0.000 1.047 101 N CA 1.388 54.370 53.050 -0.113 0.000 0.707 101 N CB -1.615 36.683 38.487 -0.315 0.000 0.937 101 N HN 0.579 9.021 8.380 0.103 0.000 0.545 102 D N -1.072 119.347 120.400 0.031 0.000 2.608 102 D HA 0.042 4.695 4.640 0.020 0.000 0.224 102 D C -1.665 174.547 176.300 -0.147 0.000 1.123 102 D CA -0.455 53.565 54.000 0.034 0.000 1.030 102 D CB -0.752 40.164 40.800 0.194 0.000 1.093 102 D HN -0.132 8.270 8.370 0.053 0.000 0.497 103 I N 1.905 122.326 120.570 -0.248 0.000 2.802 103 I HA 0.633 4.904 4.170 -0.121 -0.173 0.298 103 I C -3.056 173.029 176.117 -0.054 0.000 1.176 103 I CA -1.522 59.664 61.300 -0.191 0.000 1.025 103 I CB 4.169 41.929 38.000 -0.399 0.000 1.243 103 I HN -0.244 7.771 8.210 -0.260 0.039 0.424 104 M N 6.525 126.163 119.600 0.063 0.000 2.421 104 M HA 0.693 5.500 4.480 0.251 -0.176 0.287 104 M C -2.779 173.652 176.300 0.219 0.000 1.183 104 M CA -1.077 54.322 55.300 0.164 0.000 0.916 104 M CB 4.811 37.461 32.600 0.083 0.000 1.701 104 M HN 0.496 8.816 8.290 0.050 0.000 0.470 105 L N 3.508 124.899 121.223 0.280 0.000 2.325 105 L HA 0.841 5.500 4.340 0.256 -0.164 0.278 105 L C -1.341 175.719 176.870 0.318 0.000 1.023 105 L CA -1.430 53.584 54.840 0.291 0.000 0.811 105 L CB 3.249 45.445 42.059 0.227 0.000 1.249 105 L HN 0.437 8.860 8.230 0.321 0.000 0.431 106 I N 0.695 121.437 120.570 0.286 0.000 2.498 106 I HA 0.651 5.068 4.170 0.097 -0.189 0.290 106 I C -1.658 174.401 176.117 -0.097 0.000 1.032 106 I CA -1.433 59.929 61.300 0.103 0.000 1.073 106 I CB 3.475 41.507 38.000 0.052 0.000 1.251 106 I HN 0.796 9.200 8.210 0.324 0.000 0.426 107 K N 6.092 126.226 120.400 -0.443 0.000 2.138 107 K HA 0.778 4.457 4.320 -1.374 -0.183 0.263 107 K C -1.082 175.218 176.600 -0.501 0.000 0.965 107 K CA -2.167 53.495 56.287 -1.041 0.000 0.868 107 K CB 3.355 35.034 32.500 -1.369 0.000 1.083 107 K HN 0.634 8.715 8.250 -0.283 0.000 0.443 108 L N 3.607 124.572 121.223 -0.430 0.000 2.399 108 L HA 0.253 4.599 4.340 -0.172 -0.108 0.266 108 L C 1.768 178.518 176.870 -0.200 0.000 1.114 108 L CA -0.258 54.447 54.840 -0.224 0.000 0.804 108 L CB 0.613 42.583 42.059 -0.148 0.000 1.146 108 L HN 0.738 8.530 8.230 -0.555 0.106 0.451 109 K N 2.802 123.126 120.400 -0.126 0.000 2.057 109 K HA -0.312 3.944 4.320 -0.106 0.000 0.207 109 K C -0.600 175.951 176.600 -0.082 0.000 1.049 109 K CA 2.621 58.852 56.287 -0.095 0.000 0.931 109 K CB 0.392 32.855 32.500 -0.061 0.000 0.714 109 K HN 0.626 8.815 8.250 -0.103 0.000 0.440 110 S N -4.150 111.509 115.700 -0.069 0.000 2.667 110 S HA 0.122 4.561 4.470 -0.051 0.000 0.292 110 S C -1.865 172.705 174.600 -0.050 0.000 1.126 110 S CA -1.102 57.068 58.200 -0.050 0.000 0.881 110 S CB 2.911 66.093 63.200 -0.029 0.000 1.132 110 S HN -0.349 7.922 8.310 -0.065 0.000 0.492 111 A N -0.673 122.128 122.820 -0.032 0.000 2.322 111 A HA 0.118 4.560 4.320 -0.031 -0.141 0.269 111 A C -0.419 177.162 177.584 -0.005 0.000 1.094 111 A CA -0.458 51.568 52.037 -0.018 0.000 0.807 111 A CB 0.639 19.639 19.000 -0.000 0.000 1.047 111 A HN 0.186 8.321 8.150 -0.025 0.000 0.487 112 A N 0.713 123.537 122.820 0.007 0.000 2.304 112 A HA 0.223 4.621 4.320 0.012 -0.071 0.271 112 A C -0.395 177.201 177.584 0.019 0.000 1.091 112 A CA -1.184 50.863 52.037 0.017 0.000 0.812 112 A CB 1.458 20.477 19.000 0.031 0.000 1.056 112 A HN 0.195 8.244 8.150 0.011 0.108 0.489 113 S N 0.631 116.340 115.700 0.016 0.000 2.452 113 S HA 0.071 4.550 4.470 0.015 0.000 0.284 113 S C -1.071 173.542 174.600 0.023 0.000 1.171 113 S CA -0.197 58.011 58.200 0.015 0.000 1.064 113 S CB 0.302 63.506 63.200 0.006 0.000 0.967 113 S HN 0.069 8.722 8.310 0.014 -0.335 0.484 114 L N 5.578 126.817 121.223 0.027 0.000 2.360 114 L HA 0.258 4.741 4.340 0.039 -0.120 0.271 114 L C -0.523 176.364 176.870 0.028 0.000 1.057 114 L CA -0.522 54.339 54.840 0.035 0.000 0.803 114 L CB 1.328 43.413 42.059 0.042 0.000 1.207 114 L HN 0.260 8.505 8.230 0.026 0.000 0.445 115 N N 2.297 121.015 118.700 0.030 0.000 3.658 115 N HA 0.145 4.899 4.740 0.023 0.000 0.353 115 N C -1.336 174.191 175.510 0.028 0.000 1.513 115 N CA -0.496 52.569 53.050 0.024 0.000 0.756 115 N CB 0.923 39.420 38.487 0.017 0.000 2.702 115 N HN 0.448 8.850 8.380 0.036 0.000 0.534 116 S N -2.305 113.410 115.700 0.024 0.000 2.446 116 S HA -0.035 4.455 4.470 0.032 0.000 0.225 116 S C 0.615 175.229 174.600 0.024 0.000 1.016 116 S CA 2.073 60.288 58.200 0.026 0.000 0.943 116 S CB 0.356 63.568 63.200 0.021 0.000 0.786 116 S HN -0.065 8.256 8.310 0.019 0.000 0.508 117 R N -0.840 119.673 120.500 0.020 0.000 2.200 117 R HA 0.055 4.401 4.340 0.011 0.000 0.208 117 R C -1.142 175.171 176.300 0.022 0.000 1.033 117 R CA 0.697 56.807 56.100 0.017 0.000 1.000 117 R CB 0.819 31.128 30.300 0.015 0.000 0.906 117 R HN -0.001 8.575 8.270 0.019 -0.295 0.462 118 V N -2.250 117.684 119.914 0.032 0.000 2.443 118 V HA 0.254 4.576 4.120 0.044 -0.176 0.293 118 V C -2.089 174.041 176.094 0.060 0.000 1.021 118 V CA -0.996 61.331 62.300 0.045 0.000 0.848 118 V CB 2.303 34.153 31.823 0.044 0.000 0.998 118 V HN -0.596 7.836 8.190 0.031 -0.223 0.424 119 A N 6.584 129.455 122.820 0.086 0.000 2.587 119 A HA 0.573 4.943 4.320 0.084 0.000 0.293 119 A C -3.048 174.626 177.584 0.150 0.000 1.087 119 A CA -1.230 50.871 52.037 0.105 0.000 0.692 119 A CB 2.869 21.932 19.000 0.105 0.000 1.291 119 A HN 0.126 8.217 8.150 0.091 0.115 0.407 120 S N -1.569 114.206 115.700 0.125 0.000 2.693 120 S HA 0.572 5.292 4.470 0.167 -0.150 0.276 120 S C -0.603 174.057 174.600 0.100 0.000 1.192 120 S CA -0.987 57.289 58.200 0.128 0.000 0.994 120 S CB 1.589 64.843 63.200 0.090 0.000 1.012 120 S HN -0.009 8.359 8.310 0.097 0.000 0.550 121 I N 0.335 120.921 120.570 0.028 0.000 2.648 121 I HA 0.240 4.356 4.170 -0.090 0.000 0.304 121 I C -1.017 175.054 176.117 -0.077 0.000 1.009 121 I CA -1.573 59.651 61.300 -0.126 0.000 1.114 121 I CB 4.023 41.725 38.000 -0.497 0.000 1.293 121 I HN -0.000 8.237 8.210 0.046 0.000 0.449 122 S N 6.082 121.735 115.700 -0.079 0.000 2.584 122 S HA 0.214 4.669 4.470 -0.025 0.000 0.273 122 S C -0.627 173.945 174.600 -0.047 0.000 1.311 122 S CA -0.171 58.002 58.200 -0.045 0.000 1.034 122 S CB 0.792 63.971 63.200 -0.035 0.000 0.939 122 S HN 0.267 8.518 8.310 -0.097 0.000 0.513 123 L N 2.622 123.832 121.223 -0.022 0.000 2.399 123 L HA 0.148 4.485 4.340 -0.005 0.000 0.266 123 L C -1.394 175.471 176.870 -0.008 0.000 1.114 123 L CA -2.132 52.705 54.840 -0.005 0.000 0.804 123 L CB 0.102 42.167 42.059 0.010 0.000 1.146 123 L HN 0.186 8.406 8.230 -0.017 0.000 0.451 124 P HA 0.144 4.552 4.420 -0.021 0.000 0.277 124 P C -1.123 176.175 177.300 -0.004 0.000 1.240 124 P CA -0.762 62.333 63.100 -0.010 0.000 0.798 124 P CB 0.689 32.382 31.700 -0.011 0.000 0.979 128 c N 0.669 119.242 118.600 -0.045 0.000 2.500 128 c HA 0.067 4.597 4.570 -0.067 0.000 0.367 128 c C -0.089 173.939 174.090 -0.103 0.000 1.283 128 c CA -0.542 55.744 56.329 -0.070 0.000 2.456 128 c CB 0.538 43.012 42.510 -0.060 0.000 2.457 128 c HN -0.042 8.164 8.230 -0.039 0.000 0.632 129 A N 0.842 123.561 122.820 -0.167 0.000 2.282 129 A HA 0.103 4.348 4.320 -0.126 0.000 0.319 129 A C -0.959 176.519 177.584 -0.176 0.000 1.121 129 A CA -0.470 51.462 52.037 -0.176 0.000 0.836 129 A CB 1.455 20.314 19.000 -0.235 0.000 1.146 129 A HN 0.184 8.203 8.150 -0.219 0.000 0.494 133 G N 1.426 110.187 108.800 -0.065 0.000 2.268 133 G HA2 -0.290 3.637 3.960 -0.055 0.000 0.240 133 G HA3 -0.290 3.642 3.960 -0.046 0.000 0.240 133 G C 0.166 175.027 174.900 -0.064 0.000 1.010 133 G CA 0.032 45.098 45.100 -0.057 0.000 0.618 133 G HN 0.848 8.989 8.290 -0.069 0.108 0.516 134 T N 3.700 118.204 114.554 -0.083 0.000 2.928 134 T HA -0.172 4.140 4.350 -0.064 0.000 0.305 134 T C -1.121 173.533 174.700 -0.077 0.000 1.035 134 T CA 2.268 64.318 62.100 -0.083 0.000 1.145 134 T CB 0.764 69.563 68.868 -0.115 0.000 0.963 134 T HN -0.371 7.723 8.240 -0.096 0.088 0.545 135 Q N 5.569 125.338 119.800 -0.052 0.000 2.243 135 Q HA 0.244 4.685 4.340 -0.042 -0.126 0.252 135 Q C -0.915 175.066 176.000 -0.032 0.000 0.909 135 Q CA 0.145 55.929 55.803 -0.032 0.000 0.922 135 Q CB 1.625 30.361 28.738 -0.002 0.000 1.215 135 Q HN 0.207 8.451 8.270 -0.043 0.000 0.427 136 c N 2.862 121.446 118.600 -0.026 0.000 2.971 136 c HA 0.533 5.201 4.570 -0.019 -0.110 0.310 136 c C -1.895 172.202 174.090 0.011 0.000 1.285 136 c CA -1.400 54.915 56.329 -0.023 0.000 1.593 136 c CB 4.296 46.770 42.510 -0.060 0.000 2.076 136 c HN 0.767 8.874 8.230 -0.024 0.108 0.472 137 L N 0.894 122.132 121.223 0.025 0.000 2.313 137 L HA 0.912 5.478 4.340 0.058 -0.192 0.283 137 L C -2.170 174.715 176.870 0.026 0.000 1.013 137 L CA -1.458 53.411 54.840 0.048 0.000 0.816 137 L CB 3.168 45.277 42.059 0.082 0.000 1.236 137 L HN 0.593 8.834 8.230 0.018 0.000 0.419 138 I N 6.939 127.511 120.570 0.003 0.000 2.509 138 I HA 0.854 5.269 4.170 0.015 -0.235 0.293 138 I C -1.381 174.708 176.117 -0.047 0.000 1.020 138 I CA -1.525 59.772 61.300 -0.004 0.000 1.088 138 I CB 2.714 40.713 38.000 -0.002 0.000 1.267 138 I HN 0.897 9.110 8.210 0.005 0.000 0.430 139 S N 2.552 118.215 115.700 -0.061 0.000 2.627 139 S HA 1.074 5.583 4.470 -0.224 -0.174 0.283 139 S C -1.105 173.373 174.600 -0.203 0.000 1.127 139 S CA -1.891 56.197 58.200 -0.187 0.000 0.863 139 S CB 3.752 66.804 63.200 -0.246 0.000 1.121 139 S HN -0.204 8.101 8.310 -0.007 0.000 0.479 140 G N -1.279 107.306 108.800 -0.359 0.000 2.316 140 G HA2 0.144 3.849 3.960 -0.426 0.000 0.296 140 G HA3 0.144 4.210 3.960 -0.063 -0.144 0.296 140 G C -2.372 172.301 174.900 -0.377 0.000 1.399 140 G CA 0.565 45.478 45.100 -0.312 0.000 0.833 140 G HN 0.354 8.372 8.290 -0.452 0.000 0.565 141 W N 1.077 122.335 121.300 -0.070 0.000 3.015 141 W HA 0.388 5.008 4.660 -0.066 0.000 0.429 141 W C -0.342 176.230 176.519 0.088 0.000 0.976 141 W CA -1.052 56.224 57.345 -0.116 0.000 2.086 141 W CB 0.060 29.243 29.460 -0.462 0.000 1.125 141 W HN 0.584 8.915 8.180 0.251 0.000 0.721 142 G N 0.709 109.694 108.800 0.309 0.000 2.580 142 G HA2 -0.002 4.320 3.960 0.574 0.000 0.278 142 G HA3 -0.002 4.417 3.960 0.303 -0.278 0.278 142 G C -1.042 174.014 174.900 0.260 0.000 1.212 142 G CA -0.976 44.356 45.100 0.386 0.000 0.939 142 G HN -0.496 8.028 8.290 0.182 -0.125 0.513 143 N N -0.238 118.558 118.700 0.159 0.000 2.294 143 N HA -0.284 4.207 4.740 -0.765 -0.209 0.248 143 N C 0.849 176.283 175.510 -0.128 0.000 1.242 143 N CA 1.091 53.968 53.050 -0.288 0.000 0.848 143 N CB 0.597 38.934 38.487 -0.250 0.000 1.084 143 N HN 0.159 8.759 8.380 0.368 0.000 0.457 144 T N 0.229 114.686 114.554 -0.162 0.000 3.054 144 T HA 0.212 4.671 4.350 -0.045 -0.137 0.255 144 T C 0.203 174.862 174.700 -0.069 0.000 1.035 144 T CA 0.248 62.302 62.100 -0.077 0.000 0.941 144 T CB 1.282 70.115 68.868 -0.059 0.000 1.026 144 T HN 0.210 8.294 8.240 -0.260 0.000 0.533 145 K N 2.333 122.678 120.400 -0.093 0.000 2.259 145 K HA 0.257 4.553 4.320 -0.040 0.000 0.252 145 K C -0.659 175.919 176.600 -0.038 0.000 0.936 145 K CA -1.090 55.161 56.287 -0.059 0.000 0.810 145 K CB 2.415 34.874 32.500 -0.069 0.000 1.143 145 K HN -0.574 7.818 8.250 -0.143 -0.229 0.427 146 S N 0.156 115.847 115.700 -0.015 0.000 2.524 146 S HA -0.076 4.399 4.470 0.010 0.000 0.216 146 S C -0.216 174.388 174.600 0.006 0.000 0.987 146 S CA 0.970 59.172 58.200 0.005 0.000 0.909 146 S CB 1.056 64.264 63.200 0.014 0.000 0.781 146 S HN 0.133 8.435 8.310 -0.013 0.000 0.521 147 S N 0.586 116.285 115.700 -0.003 0.000 2.395 147 S HA 0.186 4.662 4.470 0.010 0.000 0.207 147 S C -0.801 173.796 174.600 -0.006 0.000 1.454 147 S CA -0.100 58.101 58.200 0.002 0.000 1.211 147 S CB 0.306 63.509 63.200 0.004 0.000 1.093 147 S HN -0.467 7.792 8.310 -0.011 0.044 0.472 148 G N 1.604 110.401 108.800 -0.006 0.000 2.423 148 G HA2 -0.198 3.765 3.960 0.005 0.000 0.684 148 G HA3 -0.198 3.753 3.960 -0.014 0.000 0.684 148 G C -2.644 172.231 174.900 -0.043 0.000 1.309 148 G CA -0.783 44.310 45.100 -0.011 0.000 0.950 148 G HN -0.270 8.021 8.290 0.001 0.000 0.587 149 T N -3.638 110.887 114.554 -0.048 0.000 2.786 149 T HA 0.113 4.455 4.350 -0.269 -0.154 0.283 149 T C -1.388 173.178 174.700 -0.222 0.000 0.992 149 T CA -1.329 60.679 62.100 -0.154 0.000 0.954 149 T CB 1.638 70.537 68.868 0.051 0.000 0.934 149 T HN -0.168 8.064 8.240 -0.013 0.000 0.440 150 S N 4.520 119.968 115.700 -0.419 0.000 2.672 150 S HA 0.248 4.663 4.470 -0.093 0.000 0.291 150 S C -2.199 172.137 174.600 -0.440 0.000 1.145 150 S CA -0.864 57.197 58.200 -0.233 0.000 1.013 150 S CB 1.490 64.618 63.200 -0.120 0.000 1.017 150 S HN 0.729 9.098 8.310 -0.588 -0.411 0.487 151 Y N 5.442 125.780 120.300 0.063 0.000 2.335 151 Y HA 0.253 4.859 4.550 0.093 0.000 0.338 151 Y C -1.007 174.941 175.900 0.079 0.000 0.977 151 Y CA -2.987 55.164 58.100 0.084 0.000 1.114 151 Y CB 1.592 40.109 38.460 0.096 0.000 1.182 151 Y HN 0.165 8.527 8.280 0.136 0.000 0.463 152 P HA 0.271 4.767 4.420 0.128 0.000 0.278 152 P C -1.550 175.876 177.300 0.210 0.000 1.266 152 P CA -1.041 62.162 63.100 0.172 0.000 0.807 152 P CB 1.862 33.639 31.700 0.128 0.000 1.094 153 D N -2.535 117.962 120.400 0.163 0.000 2.201 153 D HA -0.054 4.645 4.640 0.098 0.000 0.209 153 D C -0.578 175.860 176.300 0.230 0.000 0.961 153 D CA 1.910 55.992 54.000 0.136 0.000 0.861 153 D CB 0.760 41.614 40.800 0.090 0.000 0.997 153 D HN 0.395 8.843 8.370 0.131 0.000 0.486 154 V N -7.966 112.089 119.914 0.234 0.000 2.966 154 V HA 0.678 5.346 4.120 0.419 -0.296 0.317 154 V C -0.647 175.533 176.094 0.144 0.000 1.070 154 V CA -2.766 59.697 62.300 0.272 0.000 1.008 154 V CB 2.011 33.910 31.823 0.126 0.000 1.070 154 V HN -0.884 7.403 8.190 0.163 0.000 0.457 155 L N 2.141 123.337 121.223 -0.045 0.000 2.513 155 L HA -0.084 3.444 4.340 -1.352 0.000 0.272 155 L C -0.356 176.262 176.870 -0.421 0.000 1.187 155 L CA 0.993 55.437 54.840 -0.660 0.000 0.895 155 L CB 0.337 41.995 42.059 -0.669 0.000 1.147 155 L HN 0.048 8.525 8.230 0.161 -0.151 0.483 156 K N 6.187 126.314 120.400 -0.456 0.000 2.203 156 K HA 0.682 4.959 4.320 -0.336 -0.159 0.251 156 K C -1.157 175.188 176.600 -0.426 0.000 0.944 156 K CA -2.471 53.603 56.287 -0.354 0.000 0.829 156 K CB 2.635 35.000 32.500 -0.224 0.000 1.125 156 K HN -0.020 7.884 8.250 -0.577 0.000 0.430 157 c N -0.386 117.862 118.600 -0.588 0.000 2.614 157 c HA 0.967 5.480 4.570 -0.393 -0.178 0.320 157 c C -1.734 172.001 174.090 -0.592 0.000 1.200 157 c CA -0.817 55.122 56.329 -0.650 0.000 1.700 157 c CB 3.545 45.504 42.510 -0.918 0.000 2.275 157 c HN 0.744 8.552 8.230 -0.704 0.000 0.492 158 L N 0.126 121.211 121.223 -0.231 0.000 2.526 158 L HA 0.367 4.771 4.340 0.106 0.000 0.263 158 L C -2.499 174.444 176.870 0.122 0.000 0.943 158 L CA 0.201 55.052 54.840 0.019 0.000 0.859 158 L CB 4.451 46.534 42.059 0.040 0.000 1.313 158 L HN 0.699 8.824 8.230 -0.174 0.000 0.406 159 K N 6.200 126.734 120.400 0.224 0.000 2.234 159 K HA 0.751 5.361 4.320 0.133 -0.209 0.277 159 K C -1.021 175.718 176.600 0.231 0.000 1.038 159 K CA -1.340 55.060 56.287 0.189 0.000 0.888 159 K CB 0.659 33.273 32.500 0.189 0.000 1.091 159 K HN 0.350 8.770 8.250 0.282 0.000 0.467 160 A N 4.663 127.557 122.820 0.123 0.000 2.475 160 A HA 0.674 5.023 4.320 0.048 0.000 0.301 160 A C -3.320 174.200 177.584 -0.106 0.000 1.059 160 A CA -2.975 49.071 52.037 0.016 0.000 0.710 160 A CB 3.187 22.201 19.000 0.025 0.000 1.288 160 A HN 0.958 9.146 8.150 0.063 0.000 0.408 161 P HA 0.674 5.250 4.420 -0.104 -0.219 0.284 161 P C -0.942 176.284 177.300 -0.123 0.000 1.258 161 P CA -1.390 61.617 63.100 -0.155 0.000 0.824 161 P CB 1.382 32.986 31.700 -0.160 0.000 1.038 162 I N 0.931 121.447 120.570 -0.090 0.000 2.496 162 I HA -0.095 4.220 4.170 0.065 -0.106 0.285 162 I C 0.058 176.159 176.117 -0.027 0.000 1.080 162 I CA 0.734 62.009 61.300 -0.042 0.000 1.404 162 I CB 0.171 38.063 38.000 -0.179 0.000 1.403 162 I HN 0.180 8.327 8.210 -0.105 0.000 0.539 163 L N 6.973 128.216 121.223 0.033 0.000 2.431 163 L HA 0.222 4.549 4.340 -0.021 0.000 0.260 163 L C -0.298 176.587 176.870 0.025 0.000 1.098 163 L CA -0.873 53.975 54.840 0.013 0.000 0.800 163 L CB 0.840 42.916 42.059 0.028 0.000 1.210 163 L HN 0.379 8.566 8.230 0.111 0.110 0.465 164 S N -1.321 114.387 115.700 0.013 0.000 2.603 164 S HA 0.007 4.482 4.470 0.008 0.000 0.268 164 S C 0.368 174.990 174.600 0.038 0.000 1.317 164 S CA -0.590 57.619 58.200 0.016 0.000 1.012 164 S CB 1.392 64.596 63.200 0.007 0.000 0.926 164 S HN -0.070 8.243 8.310 0.005 0.000 0.539 165 D N 1.544 121.968 120.400 0.040 0.000 2.144 165 D HA -0.238 4.449 4.640 0.078 0.000 0.199 165 D C 1.726 178.056 176.300 0.049 0.000 0.984 165 D CA 3.302 57.336 54.000 0.056 0.000 0.834 165 D CB -0.254 40.574 40.800 0.048 0.000 0.955 165 D HN 0.566 8.952 8.370 0.027 0.000 0.465 166 S N -1.104 114.616 115.700 0.033 0.000 2.356 166 S HA -0.318 4.170 4.470 0.031 0.000 0.223 166 S C 2.266 176.882 174.600 0.026 0.000 1.032 166 S CA 3.742 61.958 58.200 0.027 0.000 1.005 166 S CB -0.275 62.935 63.200 0.017 0.000 0.867 166 S HN 0.008 8.325 8.310 0.026 0.009 0.449 167 S N 3.454 119.167 115.700 0.021 0.000 2.382 167 S HA -0.270 4.201 4.470 0.002 0.000 0.228 167 S C 1.840 176.453 174.600 0.021 0.000 1.027 167 S CA 3.814 62.022 58.200 0.012 0.000 0.991 167 S CB -0.157 63.047 63.200 0.007 0.000 0.823 167 S HN -0.507 7.816 8.310 0.021 0.000 0.469 168 c N 3.404 122.036 118.600 0.054 0.000 2.436 168 c HA -0.309 4.320 4.570 0.099 0.000 0.277 168 c C 1.751 175.911 174.090 0.117 0.000 1.241 168 c CA 2.889 59.277 56.329 0.098 0.000 1.721 168 c CB -1.694 40.888 42.510 0.120 0.000 2.043 168 c HN -0.114 8.149 8.230 0.055 0.000 0.472 169 K N -1.372 119.086 120.400 0.096 0.000 2.283 169 K HA -0.281 4.125 4.320 0.145 0.000 0.202 169 K C 2.382 179.020 176.600 0.064 0.000 1.048 169 K CA 2.872 59.218 56.287 0.099 0.000 0.948 169 K CB -0.330 32.216 32.500 0.078 0.000 0.742 169 K HN 0.195 8.494 8.250 0.081 0.000 0.458 170 S N -0.967 114.750 115.700 0.028 0.000 2.395 170 S HA -0.160 4.316 4.470 0.009 0.000 0.225 170 S C 1.317 175.890 174.600 -0.045 0.000 1.027 170 S CA 2.536 60.735 58.200 -0.001 0.000 0.965 170 S CB -0.021 63.173 63.200 -0.009 0.000 0.812 170 S HN -0.253 7.940 8.310 0.030 0.135 0.482 171 A N 0.155 122.918 122.820 -0.096 0.000 1.897 171 A HA -0.117 4.042 4.320 -0.268 0.000 0.215 171 A C 0.013 177.342 177.584 -0.426 0.000 1.181 171 A CA 2.126 53.975 52.037 -0.314 0.000 0.620 171 A CB 0.816 19.549 19.000 -0.446 0.000 0.821 171 A HN -0.417 7.595 8.150 -0.049 0.108 0.443 172 Y N -5.259 115.080 120.300 0.064 0.000 2.638 172 Y HA 0.433 5.058 4.550 0.125 0.000 0.367 172 Y C -2.385 173.577 175.900 0.103 0.000 1.001 172 Y CA -3.716 54.458 58.100 0.122 0.000 1.133 172 Y CB -0.411 38.175 38.460 0.209 0.000 1.199 172 Y HN -0.445 7.885 8.280 0.083 0.000 0.642 173 P HA -0.125 4.496 4.420 0.103 -0.139 0.262 173 P C 0.921 178.291 177.300 0.116 0.000 1.182 173 P CA 1.086 64.252 63.100 0.109 0.000 0.761 173 P CB -0.005 31.732 31.700 0.062 0.000 0.795 174 G N 4.336 113.195 108.800 0.099 0.000 2.175 174 G HA2 -0.376 3.622 3.960 0.063 0.000 0.265 174 G HA3 -0.376 3.618 3.960 0.056 0.000 0.265 174 G C 0.203 175.156 174.900 0.087 0.000 0.979 174 G CA 0.720 45.865 45.100 0.075 0.000 0.663 174 G HN 0.544 8.891 8.290 0.094 0.000 0.533 175 Q N -2.347 117.543 119.800 0.150 0.000 2.247 175 Q HA 0.070 4.438 4.340 0.047 0.000 0.211 175 Q C -0.521 175.610 176.000 0.220 0.000 0.861 175 Q CA -0.362 55.528 55.803 0.146 0.000 0.949 175 Q CB 1.311 30.169 28.738 0.201 0.000 1.115 175 Q HN -0.280 8.046 8.270 0.200 0.063 0.507 176 I N 0.450 121.145 120.570 0.208 0.000 2.321 176 I HA 0.076 4.391 4.170 0.241 0.000 0.291 176 I C -0.413 175.780 176.117 0.127 0.000 0.998 176 I CA -2.297 59.118 61.300 0.191 0.000 1.227 176 I CB -0.761 37.343 38.000 0.174 0.000 1.368 176 I HN -0.476 7.844 8.210 0.183 0.000 0.466 177 T N 2.428 117.053 114.554 0.118 0.000 2.910 177 T HA 0.360 4.749 4.350 0.065 0.000 0.279 177 T C 0.660 175.410 174.700 0.083 0.000 0.989 177 T CA -2.124 60.024 62.100 0.081 0.000 0.968 177 T CB 2.207 71.114 68.868 0.066 0.000 1.135 177 T HN -0.403 7.924 8.240 0.145 0.000 0.562 178 S N -2.236 113.499 115.700 0.058 0.000 2.603 178 S HA -0.162 4.349 4.470 0.068 0.000 0.229 178 S C -0.226 174.412 174.600 0.065 0.000 0.972 178 S CA 1.531 59.763 58.200 0.053 0.000 0.935 178 S CB -0.233 62.979 63.200 0.020 0.000 0.769 178 S HN 0.239 8.574 8.310 0.041 0.000 0.536 179 N N 0.243 118.996 118.700 0.087 0.000 2.273 179 N HA 0.151 4.954 4.740 0.105 0.000 0.231 179 N C -1.864 173.763 175.510 0.195 0.000 1.134 179 N CA -0.467 52.664 53.050 0.136 0.000 0.856 179 N CB 1.021 39.613 38.487 0.174 0.000 1.068 179 N HN -0.569 7.771 8.380 0.088 0.093 0.510 180 M N -1.003 118.698 119.600 0.168 0.000 2.593 180 M HA 0.860 5.612 4.480 0.083 -0.222 0.290 180 M C -2.395 174.014 176.300 0.182 0.000 1.244 180 M CA -0.401 54.972 55.300 0.122 0.000 0.857 180 M CB 5.183 37.836 32.600 0.089 0.000 1.738 180 M HN -0.709 7.581 8.290 0.150 0.090 0.461 181 F N -5.977 114.020 119.950 0.078 0.000 2.645 181 F HA 0.615 5.175 4.527 0.054 0.000 0.310 181 F C -2.693 173.162 175.800 0.092 0.000 1.102 181 F CA -1.657 56.386 58.000 0.072 0.000 0.952 181 F CB 2.440 41.479 39.000 0.065 0.000 1.326 181 F HN 0.216 8.352 8.300 -0.272 0.000 0.456 182 c N 0.265 119.029 118.600 0.273 0.000 2.391 182 c HA 0.995 5.806 4.570 0.068 -0.200 0.339 182 c C -0.962 173.325 174.090 0.329 0.000 1.205 182 c CA -0.838 55.603 56.329 0.187 0.000 1.937 182 c CB 2.572 45.160 42.510 0.130 0.000 2.341 182 c HN 0.857 9.279 8.230 0.320 0.000 0.516 183 A N 2.825 125.823 122.820 0.298 0.000 2.442 183 A HA 0.688 5.216 4.320 0.093 -0.152 0.284 183 A C -2.314 175.325 177.584 0.092 0.000 1.058 183 A CA -0.532 51.598 52.037 0.156 0.000 0.738 183 A CB 2.830 21.850 19.000 0.034 0.000 1.242 183 A HN 0.437 8.792 8.150 0.342 0.000 0.421 184 Y N 2.818 123.152 120.300 0.056 0.000 2.404 184 Y HA 0.030 4.600 4.550 0.034 0.000 0.344 184 Y C 0.958 176.875 175.900 0.027 0.000 0.995 184 Y CA -0.046 58.076 58.100 0.037 0.000 1.201 184 Y CB 0.498 38.978 38.460 0.034 0.000 1.151 184 Y HN 0.191 8.625 8.280 0.257 0.000 0.517 185 L N 3.848 125.140 121.223 0.115 0.000 2.376 185 L HA -0.268 4.100 4.340 0.046 0.000 0.219 185 L C 1.084 177.997 176.870 0.072 0.000 1.133 185 L CA 2.091 56.969 54.840 0.063 0.000 0.816 185 L CB -0.352 41.724 42.059 0.028 0.000 0.933 185 L HN 0.521 8.803 8.230 0.086 0.000 0.449 186 E N -1.990 118.272 120.200 0.104 0.000 2.358 186 E HA -0.122 4.256 4.350 0.047 0.000 0.195 186 E C 0.801 177.437 176.600 0.060 0.000 1.010 186 E CA 0.316 56.757 56.400 0.069 0.000 0.856 186 E CB -0.393 29.347 29.700 0.066 0.000 0.795 186 E HN 0.110 8.521 8.360 0.153 0.041 0.504 187 G N 0.728 109.581 108.800 0.088 0.000 3.391 187 G HA2 -0.347 3.700 3.960 0.083 0.000 0.683 187 G HA3 -0.347 3.640 3.960 0.044 0.000 0.683 187 G C -0.889 174.033 174.900 0.037 0.000 1.071 187 G CA -0.246 44.894 45.100 0.066 0.000 0.904 187 G HN -0.601 7.612 8.290 0.137 0.158 0.452 188 K N 1.338 121.736 120.400 -0.003 0.000 7.219 188 K HA -0.596 3.978 4.320 0.006 -0.250 0.683 188 K C -1.370 175.322 176.600 0.153 0.000 2.548 188 K CA 0.427 56.723 56.287 0.015 0.000 1.868 188 K CB -0.049 32.346 32.500 -0.174 0.000 1.932 188 K HN 0.103 8.376 8.250 0.040 0.000 0.297 189 D N 0.835 121.313 120.400 0.130 0.000 2.764 189 D HA 0.261 5.029 4.640 0.212 0.000 0.293 189 D C -1.923 174.452 176.300 0.124 0.000 1.287 189 D CA -0.582 53.512 54.000 0.156 0.000 0.768 189 D CB 3.786 44.662 40.800 0.127 0.000 1.288 189 D HN 0.069 8.491 8.370 0.086 0.000 0.426 190 S N -1.579 114.209 115.700 0.147 0.000 2.707 190 S HA 0.263 4.855 4.470 0.102 -0.061 0.276 190 S C -1.450 173.206 174.600 0.093 0.000 1.179 190 S CA -0.408 57.869 58.200 0.128 0.000 0.992 190 S CB 1.653 64.968 63.200 0.192 0.000 1.030 190 S HN 0.257 8.674 8.310 0.179 0.000 0.554 191 c N -1.229 117.431 118.600 0.100 0.000 3.316 191 c HA 0.362 4.984 4.570 0.087 0.000 0.360 191 c C -1.260 172.922 174.090 0.153 0.000 1.560 191 c CA -0.927 55.463 56.329 0.103 0.000 1.229 191 c CB 3.267 45.824 42.510 0.078 0.000 1.823 191 c HN 0.448 9.064 8.230 0.115 -0.316 0.440 192 Q N 1.127 121.030 119.800 0.173 0.000 2.315 192 Q HA -0.269 4.202 4.340 0.218 0.000 0.289 192 Q C 0.758 176.949 176.000 0.318 0.000 1.044 192 Q CA 1.392 57.334 55.803 0.232 0.000 0.920 192 Q CB -0.269 28.608 28.738 0.231 0.000 1.214 192 Q HN 0.499 8.855 8.270 0.144 0.000 0.392 193 G N 5.135 114.118 108.800 0.305 0.000 2.279 193 G HA2 -0.453 3.683 3.960 0.293 0.000 0.223 193 G HA3 -0.453 3.797 3.960 0.484 0.000 0.223 193 G C 0.580 175.704 174.900 0.374 0.000 1.015 193 G CA 0.987 46.310 45.100 0.373 0.000 0.621 193 G HN 0.350 8.800 8.290 0.267 0.000 0.506 194 D N 2.628 123.193 120.400 0.275 0.000 2.333 194 D HA 0.051 4.830 4.640 0.233 0.000 0.208 194 D C 0.095 176.501 176.300 0.176 0.000 0.984 194 D CA 1.030 55.157 54.000 0.213 0.000 0.873 194 D CB 0.363 41.258 40.800 0.159 0.000 0.935 194 D HN 0.140 8.559 8.370 0.254 0.103 0.521 195 S N -0.580 115.226 115.700 0.178 0.000 2.643 195 S HA -0.603 4.099 4.470 0.181 -0.124 0.310 195 S C 1.018 175.625 174.600 0.011 0.000 1.253 195 S CA 2.423 60.704 58.200 0.134 0.000 1.047 195 S CB -0.080 63.227 63.200 0.179 0.000 0.767 195 S HN -0.527 7.864 8.310 0.211 0.046 0.498 196 G N 4.662 113.451 108.800 -0.018 0.000 2.253 196 G HA2 -0.469 3.537 3.960 -0.054 0.000 0.251 196 G HA3 -0.469 3.566 3.960 -0.086 -0.126 0.251 196 G C -0.171 174.756 174.900 0.044 0.000 0.998 196 G CA 0.251 45.329 45.100 -0.036 0.000 0.621 196 G HN 0.816 9.122 8.290 0.027 0.000 0.524 197 G N 0.905 109.758 108.800 0.089 0.000 2.616 197 G HA2 0.346 4.447 3.960 0.117 0.000 0.268 197 G HA3 0.346 4.376 3.960 0.117 0.000 0.268 197 G C -2.606 172.375 174.900 0.135 0.000 1.213 197 G CA -2.018 43.152 45.100 0.117 0.000 0.926 197 G HN -0.308 7.861 8.290 0.097 0.180 0.523 198 P HA 0.282 4.900 4.420 0.123 -0.124 0.281 198 P C -1.578 175.786 177.300 0.106 0.000 1.249 198 P CA -0.714 62.475 63.100 0.148 0.000 0.810 198 P CB 1.477 33.328 31.700 0.251 0.000 1.008 199 V N 2.392 122.346 119.914 0.066 0.000 2.419 199 V HA 0.321 4.600 4.120 -0.021 -0.172 0.287 199 V C -1.296 174.803 176.094 0.009 0.000 1.017 199 V CA -0.455 61.848 62.300 0.004 0.000 0.844 199 V CB 1.815 33.623 31.823 -0.025 0.000 1.011 199 V HN -0.288 7.946 8.190 0.073 0.000 0.429 200 V N 8.011 127.921 119.914 -0.007 0.000 2.417 200 V HA 0.683 4.952 4.120 -0.079 -0.196 0.291 200 V C -1.340 174.731 176.094 -0.039 0.000 1.024 200 V CA -1.340 60.927 62.300 -0.054 0.000 0.861 200 V CB 3.022 34.786 31.823 -0.099 0.000 0.985 200 V HN 0.619 8.819 8.190 0.018 0.000 0.436 201 c N 7.674 126.238 118.600 -0.059 0.000 2.396 201 c HA 0.592 5.138 4.570 -0.040 0.000 0.321 201 c C 0.191 174.249 174.090 -0.053 0.000 1.233 201 c CA -1.321 54.973 56.329 -0.058 0.000 1.440 201 c CB 2.008 44.463 42.510 -0.091 0.000 2.110 201 c HN 0.540 8.727 8.230 -0.072 0.000 0.473 202 S N 5.268 120.947 115.700 -0.036 0.000 3.559 202 S HA -0.343 4.116 4.470 -0.018 0.000 0.369 202 S C 0.382 174.962 174.600 -0.033 0.000 0.987 202 S CA 0.968 59.151 58.200 -0.029 0.000 1.187 202 S CB -1.315 61.864 63.200 -0.035 0.000 0.914 202 S HN 1.098 9.392 8.310 -0.027 0.000 0.480 203 G N -4.998 103.782 108.800 -0.034 0.000 2.168 203 G HA2 -0.358 3.573 3.960 -0.049 0.000 0.257 203 G HA3 -0.358 3.584 3.960 -0.030 0.000 0.257 203 G C -0.814 174.037 174.900 -0.081 0.000 0.997 203 G CA 0.516 45.587 45.100 -0.048 0.000 0.708 203 G HN 0.328 8.603 8.290 -0.025 0.000 0.520 210 Q N 1.125 120.937 119.800 0.020 0.000 2.396 210 Q HA 0.211 4.578 4.340 0.045 0.000 0.220 210 Q C -0.168 175.988 176.000 0.259 0.000 0.900 210 Q CA 0.166 56.000 55.803 0.052 0.000 0.925 210 Q CB 2.829 31.516 28.738 -0.086 0.000 1.065 210 Q HN 0.426 8.698 8.270 0.002 0.000 0.535 211 G N -3.186 105.797 108.800 0.305 0.000 2.725 211 G HA2 0.618 5.092 3.960 0.450 0.000 0.288 211 G HA3 0.618 4.880 3.960 0.503 0.000 0.288 211 G C -3.163 171.865 174.900 0.213 0.000 1.399 211 G CA -0.817 44.520 45.100 0.395 0.000 0.859 211 G HN -0.370 8.029 8.290 0.182 0.000 0.479 212 I N -1.523 119.165 120.570 0.196 0.000 2.533 212 I HA 0.545 5.023 4.170 0.156 -0.215 0.290 212 I C -0.543 175.707 176.117 0.221 0.000 1.056 212 I CA -1.372 60.025 61.300 0.162 0.000 1.057 212 I CB 4.438 42.493 38.000 0.091 0.000 1.240 212 I HN -0.402 7.993 8.210 0.178 -0.079 0.423 213 V N 7.083 127.142 119.914 0.243 0.000 2.493 213 V HA -0.204 4.013 4.120 0.162 0.000 0.292 213 V C -1.183 174.948 176.094 0.060 0.000 1.016 213 V CA 2.047 64.454 62.300 0.177 0.000 1.097 213 V CB -1.050 30.892 31.823 0.198 0.000 0.947 213 V HN 0.598 8.803 8.190 0.204 0.108 0.479 214 S N 7.148 122.783 115.700 -0.109 0.000 3.142 214 S HA 0.429 5.108 4.470 0.347 0.000 0.223 214 S C -1.364 173.331 174.600 0.158 0.000 0.939 214 S CA 1.159 59.435 58.200 0.126 0.000 0.826 214 S CB 2.235 65.495 63.200 0.099 0.000 0.823 214 S HN -0.096 7.932 8.310 -0.470 0.000 0.612 215 W N -4.408 116.726 121.300 -0.278 0.000 2.962 215 W HA 0.253 4.796 4.660 -0.195 0.000 0.405 215 W C -2.651 173.687 176.519 -0.302 0.000 1.121 215 W CA -0.662 56.526 57.345 -0.261 0.000 1.164 215 W CB 1.212 30.514 29.460 -0.263 0.000 1.489 215 W HN -0.246 7.587 8.180 -0.580 0.000 0.599 216 G N -3.269 105.577 108.800 0.075 0.000 2.322 216 G HA2 0.033 3.638 3.960 -0.591 0.000 0.295 216 G HA3 0.033 3.911 3.960 -0.137 0.000 0.295 216 G C -2.265 172.766 174.900 0.220 0.000 1.369 216 G CA 0.294 45.321 45.100 -0.122 0.000 0.821 216 G HN -0.062 8.488 8.290 0.433 0.000 0.536 220 c N 1.824 120.464 118.600 0.067 0.000 3.465 220 c HA 0.303 5.062 4.570 0.069 -0.147 0.193 220 c C -1.500 172.624 174.090 0.057 0.000 1.515 220 c CA -0.805 55.562 56.329 0.063 0.000 1.340 220 c CB -1.213 41.328 42.510 0.053 0.000 1.928 220 c HN 0.345 8.610 8.230 0.058 0.000 0.510 221 Q N -1.508 118.327 119.800 0.058 0.000 2.852 221 Q HA 0.140 4.502 4.340 0.037 0.000 0.250 221 Q C -1.413 174.611 176.000 0.039 0.000 0.988 221 Q CA -0.603 55.226 55.803 0.044 0.000 0.905 221 Q CB 2.595 31.361 28.738 0.047 0.000 1.896 221 Q HN 0.009 8.320 8.270 0.069 0.000 0.464 222 K N 4.055 124.471 120.400 0.027 0.000 2.485 222 K HA -0.300 4.153 4.320 0.034 -0.113 0.277 222 K C 0.248 176.848 176.600 -0.001 0.000 0.990 222 K CA 0.852 57.151 56.287 0.021 0.000 0.994 222 K CB -0.022 32.487 32.500 0.015 0.000 0.906 222 K HN 0.288 8.553 8.250 0.024 0.000 0.488 223 N N 1.452 120.147 118.700 -0.008 0.000 2.732 223 N HA -0.493 4.220 4.740 -0.044 0.000 0.250 223 N C -1.494 173.946 175.510 -0.117 0.000 1.097 223 N CA 1.743 54.761 53.050 -0.054 0.000 0.812 223 N CB -0.422 38.029 38.487 -0.061 0.000 1.148 223 N HN 0.807 9.063 8.380 0.012 0.131 0.572 224 K N -1.871 118.489 120.400 -0.068 0.000 2.606 224 K HA 0.545 4.661 4.320 -0.340 0.000 0.196 224 K C -2.343 174.295 176.600 0.064 0.000 1.048 224 K CA -3.603 52.636 56.287 -0.081 0.000 1.017 224 K CB -0.275 32.245 32.500 0.033 0.000 1.413 224 K HN -0.608 7.573 8.250 -0.010 0.063 0.568 225 P HA 0.001 4.484 4.420 0.106 0.000 0.275 225 P C -0.524 176.832 177.300 0.094 0.000 1.266 225 P CA -0.557 62.609 63.100 0.110 0.000 0.793 225 P CB 1.288 33.037 31.700 0.083 0.000 1.074 226 G N -2.250 106.571 108.800 0.035 0.000 2.503 226 G HA2 0.295 4.043 3.960 -0.354 0.000 0.257 226 G HA3 0.295 4.129 3.960 -0.210 0.000 0.257 226 G C -1.768 172.809 174.900 -0.539 0.000 1.214 226 G CA -0.667 44.273 45.100 -0.268 0.000 0.839 226 G HN -0.358 8.013 8.290 0.134 0.000 0.559 227 V N 1.761 121.003 119.914 -1.121 0.000 2.495 227 V HA 0.583 4.440 4.120 -0.711 -0.163 0.298 227 V C -0.986 174.303 176.094 -1.341 0.000 1.031 227 V CA -0.908 60.685 62.300 -1.178 0.000 0.871 227 V CB 2.342 33.002 31.823 -1.939 0.000 0.988 227 V HN 0.382 7.858 8.190 -1.189 0.000 0.432 228 Y N 5.024 124.902 120.300 -0.704 0.000 2.499 228 Y HA 0.581 5.039 4.550 -0.389 -0.141 0.347 228 Y C 0.272 175.874 175.900 -0.498 0.000 0.987 228 Y CA -2.242 55.455 58.100 -0.671 0.000 1.044 228 Y CB 3.795 41.567 38.460 -1.147 0.000 1.245 228 Y HN 1.000 8.872 8.280 -0.679 0.000 0.461 229 T N 4.949 119.464 114.554 -0.066 0.000 2.870 229 T HA -0.007 4.555 4.350 0.100 -0.152 0.300 229 T C -0.682 174.149 174.700 0.217 0.000 0.989 229 T CA 1.653 63.800 62.100 0.079 0.000 1.139 229 T CB 0.513 69.415 68.868 0.057 0.000 0.920 229 T HN 0.483 8.717 8.240 -0.010 0.000 0.537 230 K N 8.160 128.776 120.400 0.360 0.000 2.183 230 K HA 0.121 4.868 4.320 0.712 0.000 0.272 230 K C 0.978 177.837 176.600 0.433 0.000 1.113 230 K CA -0.653 55.928 56.287 0.489 0.000 0.949 230 K CB -0.283 32.457 32.500 0.399 0.000 1.365 230 K HN 0.159 8.502 8.250 0.330 0.105 0.420 231 V N 6.101 126.247 119.914 0.386 0.000 2.469 231 V HA -0.534 3.881 4.120 0.491 0.000 0.251 231 V C 1.382 177.642 176.094 0.277 0.000 1.064 231 V CA 3.904 66.417 62.300 0.356 0.000 1.066 231 V CB -0.320 31.639 31.823 0.227 0.000 0.667 231 V HN 0.195 8.621 8.190 0.394 0.000 0.461 232 c N -3.353 115.344 118.600 0.161 0.000 2.409 232 c HA -0.233 4.383 4.570 0.075 0.000 0.284 232 c C 1.737 175.850 174.090 0.039 0.000 1.354 232 c CA 1.748 58.123 56.329 0.077 0.000 1.787 232 c CB -2.088 40.436 42.510 0.024 0.000 1.900 232 c HN 0.485 8.808 8.230 0.155 0.000 0.520 233 N N 0.831 119.523 118.700 -0.015 0.000 2.467 233 N HA -0.085 4.558 4.740 -0.161 0.000 0.184 233 N C 0.291 175.574 175.510 -0.379 0.000 1.106 233 N CA 1.138 54.034 53.050 -0.257 0.000 0.892 233 N CB -0.164 38.023 38.487 -0.500 0.000 0.969 233 N HN -0.392 7.986 8.380 0.068 0.043 0.454 234 Y N -4.668 115.702 120.300 0.117 0.000 2.557 234 Y HA 0.173 4.863 4.550 0.232 0.000 0.247 234 Y C -0.148 175.887 175.900 0.225 0.000 1.164 234 Y CA -0.687 57.539 58.100 0.210 0.000 1.218 234 Y CB -0.027 38.578 38.460 0.241 0.000 1.210 234 Y HN -0.070 8.164 8.280 0.231 0.185 0.529 235 V N 0.914 120.969 119.914 0.234 0.000 2.407 235 V HA -0.535 3.683 4.120 0.163 0.000 0.248 235 V C 1.300 177.466 176.094 0.120 0.000 1.055 235 V CA 4.727 67.119 62.300 0.154 0.000 1.049 235 V CB -0.567 31.307 31.823 0.085 0.000 0.662 235 V HN -0.860 7.429 8.190 0.165 0.000 0.455 236 S N 0.067 115.841 115.700 0.123 0.000 2.383 236 S HA -0.308 4.184 4.470 0.037 0.000 0.227 236 S C 1.785 176.455 174.600 0.117 0.000 1.026 236 S CA 3.085 61.337 58.200 0.087 0.000 0.981 236 S CB -0.429 62.820 63.200 0.081 0.000 0.818 236 S HN 0.128 8.513 8.310 0.124 0.000 0.472 237 W N 4.202 125.539 121.300 0.062 0.000 2.358 237 W HA -0.139 4.545 4.660 0.041 0.000 0.303 237 W C 1.554 178.085 176.519 0.020 0.000 1.208 237 W CA 2.842 60.232 57.345 0.076 0.000 1.274 237 W CB -0.055 29.534 29.460 0.214 0.000 1.138 237 W HN -0.408 8.004 8.180 0.387 0.000 0.515 238 I N -0.804 119.737 120.570 -0.049 0.000 2.142 238 I HA -0.741 2.996 4.170 -0.721 0.000 0.240 238 I C 1.802 177.687 176.117 -0.386 0.000 1.078 238 I CA 4.488 65.589 61.300 -0.333 0.000 1.343 238 I CB -0.230 37.741 38.000 -0.049 0.000 1.046 238 I HN 0.106 8.482 8.210 0.276 0.000 0.405 239 K N -0.854 119.419 120.400 -0.212 0.000 2.063 239 K HA -0.425 3.746 4.320 -0.249 0.000 0.208 239 K C 2.779 179.229 176.600 -0.250 0.000 1.048 239 K CA 3.816 59.976 56.287 -0.211 0.000 0.928 239 K CB -0.357 32.079 32.500 -0.106 0.000 0.713 239 K HN -0.130 8.060 8.250 -0.099 0.000 0.442 240 Q N -1.852 117.812 119.800 -0.227 0.000 2.046 240 Q HA -0.294 3.954 4.340 -0.154 0.000 0.200 240 Q C 2.619 178.432 176.000 -0.313 0.000 0.975 240 Q CA 3.440 59.119 55.803 -0.206 0.000 0.836 240 Q CB 0.054 28.717 28.738 -0.125 0.000 0.896 240 Q HN 0.136 8.295 8.270 -0.185 0.000 0.428 241 T N 2.689 116.930 114.554 -0.521 0.000 2.708 241 T HA -0.268 3.850 4.350 -0.386 0.000 0.266 241 T C 2.369 176.730 174.700 -0.565 0.000 1.037 241 T CA 4.878 66.632 62.100 -0.577 0.000 1.146 241 T CB -0.150 68.124 68.868 -0.989 0.000 0.865 241 T HN 0.004 7.857 8.240 -0.646 0.000 0.435 242 I N 1.095 121.212 120.570 -0.754 0.000 2.226 242 I HA -0.476 2.825 4.170 -1.448 0.000 0.245 242 I C 1.737 177.621 176.117 -0.389 0.000 1.100 242 I CA 3.845 64.580 61.300 -0.942 0.000 1.374 242 I CB -0.409 36.977 38.000 -1.024 0.000 1.057 242 I HN 0.089 7.858 8.210 -0.735 0.000 0.413 243 A N -0.728 121.922 122.820 -0.284 0.000 2.019 243 A HA -0.216 4.044 4.320 -0.100 0.000 0.219 243 A C 1.260 178.794 177.584 -0.084 0.000 1.164 243 A CA 2.775 54.729 52.037 -0.139 0.000 0.644 243 A CB -0.469 18.458 19.000 -0.122 0.000 0.805 243 A HN -0.087 7.864 8.150 -0.332 0.000 0.449 244 S N -4.933 110.707 115.700 -0.101 0.000 2.557 244 S HA 0.127 4.586 4.470 -0.019 0.000 0.223 244 S C -0.783 173.827 174.600 0.016 0.000 0.969 244 S CA 0.492 58.669 58.200 -0.038 0.000 0.927 244 S CB 1.033 64.204 63.200 -0.048 0.000 0.806 244 S HN -0.372 7.703 8.310 -0.170 0.133 0.489 245 N N 0.000 118.741 118.700 0.068 0.000 1.763 245 N HA 0.000 4.820 4.740 0.134 0.000 0.220 245 N CA 0.000 53.171 53.050 0.201 0.000 0.885 245 N CB 0.000 38.686 38.487 0.332 0.000 1.341 245 N HN 0.000 8.234 8.380 0.030 0.163 0.667